data_15652_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15652
_Entry.PDB_ID 2K0M
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 2 2 ALA HA H 2 4.102 4.374 -0.272 1
1 5 . 1 1 1 A 2 2 ALA CA C 2 51.775 51.550 0.225 1
1 6 . 1 1 1 A 2 2 ALA CB C 2 19.665 17.532 2.133 1
1 7 . 1 1 1 A 3 3 LYS HA H 3 4.329 4.777 -0.448 1
1 15 . 1 1 1 A 3 3 LYS C C 3 176.086 174.432 1.654 1
1 16 . 1 1 1 A 3 3 LYS CA C 3 56.354 55.057 1.297 1
1 17 . 1 1 1 A 3 3 LYS CB C 3 33.325 36.159 -2.834 1
1 21 . 1 1 1 A 4 4 ALA H H 4 8.515 8.655 -0.140 1
1 22 . 1 1 1 A 4 4 ALA HA H 4 4.356 4.432 -0.076 1
1 26 . 1 1 1 A 4 4 ALA C C 4 177.307 176.683 0.624 1
1 27 . 1 1 1 A 4 4 ALA CA C 4 52.316 51.703 0.613 1
1 28 . 1 1 1 A 4 4 ALA CB C 4 19.421 18.093 1.328 1
1 29 . 1 1 1 A 4 4 ALA N N 4 126.866 128.782 -1.916 1
1 30 . 1 1 1 A 5 5 GLN H H 5 8.521 8.291 0.230 1
1 31 . 1 1 1 A 5 5 GLN HA H 5 4.652 4.641 0.011 1
1 38 . 1 1 1 A 5 5 GLN C C 5 173.576 173.837 -0.261 1
1 39 . 1 1 1 A 5 5 GLN CA C 5 53.470 53.799 -0.329 1
1 40 . 1 1 1 A 5 5 GLN CB C 5 29.457 27.562 1.895 1
1 42 . 1 1 1 A 5 5 GLN N N 5 122.182 122.821 -0.639 1
1 44 . 1 1 1 A 6 6 PRO HA H 6 4.587 4.537 0.050 1
1 51 . 1 1 1 A 6 6 PRO C C 6 176.481 176.202 0.279 1
1 52 . 1 1 1 A 6 6 PRO CA C 6 63.028 62.618 0.410 1
1 53 . 1 1 1 A 6 6 PRO CB C 6 32.905 31.984 0.921 1
1 56 . 1 1 1 A 7 7 ILE H H 7 8.581 8.662 -0.081 1
1 57 . 1 1 1 A 7 7 ILE HA H 7 4.245 4.228 0.017 1
1 67 . 1 1 1 A 7 7 ILE C C 7 174.129 175.003 -0.874 1
1 68 . 1 1 1 A 7 7 ILE CA C 7 60.613 60.704 -0.091 1
1 69 . 1 1 1 A 7 7 ILE CB C 7 40.266 36.595 3.671 1
1 73 . 1 1 1 A 7 7 ILE N N 7 120.418 123.276 -2.858 1
1 74 . 1 1 1 A 8 8 GLU H H 8 8.572 8.900 -0.328 1
1 75 . 1 1 1 A 8 8 GLU HA H 8 5.363 5.215 0.148 1
1 80 . 1 1 1 A 8 8 GLU C C 8 175.806 175.357 0.449 1
1 81 . 1 1 1 A 8 8 GLU CA C 8 54.749 55.640 -0.891 1
1 82 . 1 1 1 A 8 8 GLU CB C 8 31.505 31.267 0.238 1
1 84 . 1 1 1 A 8 8 GLU N N 8 128.440 128.197 0.243 1
1 85 . 1 1 1 A 9 9 ILE H H 9 8.591 9.082 -0.491 1
1 86 . 1 1 1 A 9 9 ILE HA H 9 4.111 4.405 -0.294 1
1 96 . 1 1 1 A 9 9 ILE C C 9 174.977 176.140 -1.163 1
1 97 . 1 1 1 A 9 9 ILE CA C 9 60.967 60.217 0.750 1
1 98 . 1 1 1 A 9 9 ILE CB C 9 41.559 39.978 1.581 1
1 102 . 1 1 1 A 9 9 ILE N N 9 123.957 127.686 -3.729 1
1 103 . 1 1 1 A 10 10 ALA H H 10 9.398 9.103 0.295 1
1 104 . 1 1 1 A 10 10 ALA HA H 10 4.072 4.055 0.017 1
1 108 . 1 1 1 A 10 10 ALA C C 10 177.026 176.947 0.079 1
1 109 . 1 1 1 A 10 10 ALA CA C 10 52.646 53.381 -0.735 1
1 110 . 1 1 1 A 10 10 ALA CB C 10 18.121 17.970 0.151 1
1 111 . 1 1 1 A 10 10 ALA N N 10 130.074 131.898 -1.824 1
1 112 . 1 1 1 A 11 11 GLY H H 11 8.958 8.287 0.671 1
1 113 . 1 1 1 A 11 11 GLY HA2 H 11 4.046 3.763 0.283 1
1 114 . 1 1 1 A 11 11 GLY HA3 H 11 3.570 3.809 -0.239 1
1 115 . 1 1 1 A 11 11 GLY C C 11 174.139 174.312 -0.173 1
1 116 . 1 1 1 A 11 11 GLY CA C 11 45.467 45.109 0.358 1
1 117 . 1 1 1 A 11 11 GLY N N 11 105.460 103.168 2.292 1
1 118 . 1 1 1 A 12 12 HIS H H 12 8.189 7.861 0.328 1
1 119 . 1 1 1 A 12 12 HIS HA H 12 4.325 4.260 0.065 1
1 124 . 1 1 1 A 12 12 HIS C C 12 173.060 174.425 -1.365 1
1 125 . 1 1 1 A 12 12 HIS CA C 12 54.628 56.630 -2.002 1
1 126 . 1 1 1 A 12 12 HIS CB C 12 30.432 29.631 0.801 1
1 129 . 1 1 1 A 12 12 HIS N N 12 120.216 118.790 1.426 1
1 130 . 1 1 1 A 13 13 GLU H H 13 8.338 8.532 -0.194 1
1 131 . 1 1 1 A 13 13 GLU HA H 13 4.659 4.780 -0.121 1
1 136 . 1 1 1 A 13 13 GLU C C 13 175.231 175.418 -0.187 1
1 137 . 1 1 1 A 13 13 GLU CA C 13 55.147 55.152 -0.005 1
1 138 . 1 1 1 A 13 13 GLU CB C 13 31.218 30.725 0.493 1
1 140 . 1 1 1 A 13 13 GLU N N 13 122.925 122.839 0.086 1
1 141 . 1 1 1 A 14 14 PHE H H 14 9.117 9.245 -0.128 1
1 142 . 1 1 1 A 14 14 PHE HA H 14 4.941 4.840 0.101 1
1 150 . 1 1 1 A 14 14 PHE C C 14 175.179 176.312 -1.133 1
1 151 . 1 1 1 A 14 14 PHE CA C 14 56.302 57.780 -1.478 1
1 152 . 1 1 1 A 14 14 PHE CB C 14 41.499 40.589 0.910 1
1 158 . 1 1 1 A 14 14 PHE N N 14 123.141 124.843 -1.702 1
1 159 . 1 1 1 A 15 15 ALA H H 15 9.393 8.446 0.947 1
1 160 . 1 1 1 A 15 15 ALA HA H 15 4.130 4.422 -0.292 1
1 164 . 1 1 1 A 15 15 ALA C C 15 177.675 176.911 0.764 1
1 165 . 1 1 1 A 15 15 ALA CA C 15 54.880 52.714 2.166 1
1 166 . 1 1 1 A 15 15 ALA CB C 15 18.986 19.484 -0.498 1
1 167 . 1 1 1 A 15 15 ALA N N 15 126.102 125.381 0.721 1
1 168 . 1 1 1 A 16 16 ARG H H 16 7.756 7.682 0.074 1
1 169 . 1 1 1 A 16 16 ARG HA H 16 4.809 4.659 0.150 1
1 176 . 1 1 1 A 16 16 ARG C C 16 177.344 175.916 1.428 1
1 177 . 1 1 1 A 16 16 ARG CA C 16 53.409 55.660 -2.251 1
1 178 . 1 1 1 A 16 16 ARG CB C 16 33.323 33.805 -0.482 1
1 181 . 1 1 1 A 16 16 ARG N N 16 110.189 117.387 -7.198 1
1 182 . 1 1 1 A 17 17 LYS H H 17 9.303 8.751 0.552 1
1 183 . 1 1 1 A 17 17 LYS HA H 17 3.742 3.902 -0.160 1
1 192 . 1 1 1 A 17 17 LYS C C 17 178.667 177.629 1.038 1
1 193 . 1 1 1 A 17 17 LYS CA C 17 60.663 59.795 0.868 1
1 194 . 1 1 1 A 17 17 LYS CB C 17 32.005 32.205 -0.200 1
1 198 . 1 1 1 A 17 17 LYS N N 17 125.242 126.051 -0.809 1
1 199 . 1 1 1 A 18 18 ALA H H 18 8.777 8.080 0.697 1
1 200 . 1 1 1 A 18 18 ALA HA H 18 4.046 4.088 -0.042 1
1 204 . 1 1 1 A 18 18 ALA C C 18 180.134 179.357 0.777 1
1 205 . 1 1 1 A 18 18 ALA CA C 18 55.181 54.659 0.522 1
1 206 . 1 1 1 A 18 18 ALA CB C 18 18.633 18.247 0.386 1
1 207 . 1 1 1 A 18 18 ALA N N 18 118.670 120.345 -1.675 1
1 208 . 1 1 1 A 19 19 ASP H H 19 7.454 8.247 -0.793 1
1 209 . 1 1 1 A 19 19 ASP HA H 19 4.586 4.395 0.191 1
1 212 . 1 1 1 A 19 19 ASP C C 19 178.469 178.084 0.385 1
1 213 . 1 1 1 A 19 19 ASP CA C 19 57.082 56.408 0.674 1
1 214 . 1 1 1 A 19 19 ASP CB C 19 41.304 41.218 0.086 1
1 215 . 1 1 1 A 19 19 ASP N N 19 117.020 119.291 -2.271 1
1 216 . 1 1 1 A 20 20 ALA H H 20 7.123 7.715 -0.592 1
1 217 . 1 1 1 A 20 20 ALA HA H 20 2.604 2.766 -0.162 1
1 221 . 1 1 1 A 20 20 ALA C C 20 178.706 179.855 -1.149 1
1 222 . 1 1 1 A 20 20 ALA CA C 20 54.453 54.517 -0.064 1
1 223 . 1 1 1 A 20 20 ALA CB C 20 18.199 17.792 0.407 1
1 224 . 1 1 1 A 20 20 ALA N N 20 124.691 121.680 3.011 1
1 225 . 1 1 1 A 21 21 LEU H H 21 7.871 7.734 0.137 1
1 226 . 1 1 1 A 21 21 LEU HA H 21 4.008 4.094 -0.086 1
1 236 . 1 1 1 A 21 21 LEU C C 21 179.041 179.035 0.006 1
1 237 . 1 1 1 A 21 21 LEU CA C 21 58.398 57.875 0.523 1
1 238 . 1 1 1 A 21 21 LEU CB C 21 41.382 41.612 -0.230 1
1 242 . 1 1 1 A 21 21 LEU N N 21 116.889 118.999 -2.110 1
1 243 . 1 1 1 A 22 22 ALA H H 22 7.972 8.276 -0.304 1
1 244 . 1 1 1 A 22 22 ALA HA H 22 4.158 4.095 0.063 1
1 248 . 1 1 1 A 22 22 ALA C C 22 179.288 179.452 -0.164 1
1 249 . 1 1 1 A 22 22 ALA CA C 22 55.180 55.109 0.071 1
1 250 . 1 1 1 A 22 22 ALA CB C 22 18.013 18.801 -0.788 1
1 251 . 1 1 1 A 22 22 ALA N N 22 121.219 121.530 -0.311 1
1 252 . 1 1 1 A 23 23 PHE H H 23 7.546 8.078 -0.532 1
1 253 . 1 1 1 A 23 23 PHE HA H 23 4.081 3.968 0.113 1
1 261 . 1 1 1 A 23 23 PHE C C 23 178.515 177.030 1.485 1
1 262 . 1 1 1 A 23 23 PHE CA C 23 61.520 61.605 -0.085 1
1 263 . 1 1 1 A 23 23 PHE CB C 23 40.296 39.121 1.175 1
1 269 . 1 1 1 A 23 23 PHE N N 23 119.034 119.508 -0.474 1
1 270 . 1 1 1 A 24 24 MET H H 24 7.595 7.878 -0.283 1
1 271 . 1 1 1 A 24 24 MET HA H 24 3.768 3.933 -0.165 1
1 279 . 1 1 1 A 24 24 MET C C 24 176.037 178.379 -2.342 1
1 280 . 1 1 1 A 24 24 MET CA C 24 59.901 58.909 0.992 1
1 281 . 1 1 1 A 24 24 MET CB C 24 34.008 32.878 1.130 1
1 284 . 1 1 1 A 24 24 MET N N 24 118.377 117.069 1.308 1
1 285 . 1 1 1 A 25 25 LYS H H 25 8.131 7.845 0.286 1
1 286 . 1 1 1 A 25 25 LYS HA H 25 3.747 3.997 -0.250 1
1 295 . 1 1 1 A 25 25 LYS C C 25 178.865 178.660 0.205 1
1 296 . 1 1 1 A 25 25 LYS CA C 25 59.994 59.008 0.986 1
1 297 . 1 1 1 A 25 25 LYS CB C 25 32.365 32.248 0.117 1
1 301 . 1 1 1 A 25 25 LYS N N 25 121.901 120.212 1.689 1
1 302 . 1 1 1 A 26 26 VAL H H 26 7.986 8.095 -0.109 1
1 303 . 1 1 1 A 26 26 VAL HA H 26 3.515 3.529 -0.014 1
1 311 . 1 1 1 A 26 26 VAL C C 26 178.654 177.779 0.875 1
1 312 . 1 1 1 A 26 26 VAL CA C 26 66.337 66.660 -0.323 1
1 313 . 1 1 1 A 26 26 VAL CB C 26 31.302 31.470 -0.168 1
1 316 . 1 1 1 A 26 26 VAL N N 26 119.393 119.769 -0.376 1
1 317 . 1 1 1 A 27 27 MET H H 27 7.232 7.929 -0.697 1
1 318 . 1 1 1 A 27 27 MET HA H 27 3.586 4.077 -0.491 1
1 326 . 1 1 1 A 27 27 MET C C 27 177.564 178.516 -0.952 1
1 327 . 1 1 1 A 27 27 MET CA C 27 59.113 58.626 0.487 1
1 328 . 1 1 1 A 27 27 MET CB C 27 34.025 32.200 1.825 1
1 331 . 1 1 1 A 27 27 MET N N 27 119.647 119.145 0.502 1
1 332 . 1 1 1 A 28 28 LEU H H 28 8.201 8.131 0.070 1
1 333 . 1 1 1 A 28 28 LEU HA H 28 3.733 4.013 -0.280 1
1 343 . 1 1 1 A 28 28 LEU C C 28 178.075 178.270 -0.195 1
1 344 . 1 1 1 A 28 28 LEU CA C 28 57.980 58.378 -0.398 1
1 345 . 1 1 1 A 28 28 LEU CB C 28 41.151 41.355 -0.204 1
1 349 . 1 1 1 A 28 28 LEU N N 28 118.420 123.233 -4.813 1
1 350 . 1 1 1 A 29 29 ASN H H 29 7.579 8.342 -0.763 1
1 351 . 1 1 1 A 29 29 ASN HA H 29 4.512 4.681 -0.169 1
1 356 . 1 1 1 A 29 29 ASN C C 29 176.087 177.166 -1.079 1
1 357 . 1 1 1 A 29 29 ASN CA C 29 54.286 56.220 -1.934 1
1 358 . 1 1 1 A 29 29 ASN CB C 29 38.984 38.177 0.807 1
1 359 . 1 1 1 A 29 29 ASN N N 29 112.254 116.469 -4.215 1
1 361 . 1 1 1 A 30 30 ARG H H 30 7.621 7.407 0.214 1
1 362 . 1 1 1 A 30 30 ARG HA H 30 4.169 4.196 -0.027 1
1 369 . 1 1 1 A 30 30 ARG C C 30 175.926 175.553 0.373 1
1 370 . 1 1 1 A 30 30 ARG CA C 30 57.482 56.650 0.832 1
1 371 . 1 1 1 A 30 30 ARG CB C 30 30.404 30.629 -0.225 1
1 374 . 1 1 1 A 30 30 ARG N N 30 118.878 116.646 2.232 1
1 375 . 1 1 1 A 31 31 TYR H H 31 7.287 7.508 -0.221 1
1 376 . 1 1 1 A 31 31 TYR HA H 31 4.690 4.952 -0.262 1
1 383 . 1 1 1 A 31 31 TYR C C 31 174.348 175.449 -1.101 1
1 384 . 1 1 1 A 31 31 TYR CA C 31 58.118 57.088 1.030 1
1 385 . 1 1 1 A 31 31 TYR CB C 31 43.045 41.111 1.934 1
1 390 . 1 1 1 A 31 31 TYR N N 31 118.414 118.050 0.364 1
1 391 . 1 1 1 A 32 32 ARG H H 32 9.314 8.669 0.645 1
1 392 . 1 1 1 A 32 32 ARG HA H 32 4.913 4.780 0.133 1
1 399 . 1 1 1 A 32 32 ARG C C 32 173.525 176.197 -2.672 1
1 400 . 1 1 1 A 32 32 ARG CA C 32 52.775 53.515 -0.740 1
1 401 . 1 1 1 A 32 32 ARG CB C 32 30.292 31.070 -0.778 1
1 404 . 1 1 1 A 32 32 ARG N N 32 121.876 121.587 0.289 1
1 405 . 1 1 1 A 33 33 PRO HA H 33 3.870 4.686 -0.816 1
1 412 . 1 1 1 A 33 33 PRO C C 33 177.517 177.082 0.435 1
1 413 . 1 1 1 A 33 33 PRO CA C 33 64.332 63.887 0.445 1
1 414 . 1 1 1 A 33 33 PRO CB C 33 31.655 31.377 0.278 1
1 417 . 1 1 1 A 34 34 GLY H H 34 9.584 8.071 1.513 1
1 418 . 1 1 1 A 34 34 GLY HA2 H 34 4.422 4.057 0.365 1
1 419 . 1 1 1 A 34 34 GLY HA3 H 34 3.725 4.078 -0.353 1
1 420 . 1 1 1 A 34 34 GLY C C 34 174.605 173.012 1.593 1
1 421 . 1 1 1 A 34 34 GLY CA C 34 44.745 45.504 -0.759 1
1 422 . 1 1 1 A 34 34 GLY N N 34 115.669 106.503 9.166 1
1 423 . 1 1 1 A 35 35 ASP H H 35 8.252 7.653 0.599 1
1 424 . 1 1 1 A 35 35 ASP HA H 35 4.691 5.032 -0.341 1
1 427 . 1 1 1 A 35 35 ASP C C 35 175.279 175.826 -0.547 1
1 428 . 1 1 1 A 35 35 ASP CA C 35 55.195 53.432 1.763 1
1 429 . 1 1 1 A 35 35 ASP CB C 35 42.301 43.524 -1.223 1
1 430 . 1 1 1 A 35 35 ASP N N 35 122.076 119.893 2.183 1
1 431 . 1 1 1 A 36 36 ILE H H 36 8.194 8.531 -0.337 1
1 432 . 1 1 1 A 36 36 ILE HA H 36 4.546 4.368 0.178 1
1 442 . 1 1 1 A 36 36 ILE C C 36 176.709 176.316 0.393 1
1 443 . 1 1 1 A 36 36 ILE CA C 36 59.572 60.431 -0.859 1
1 444 . 1 1 1 A 36 36 ILE CB C 36 37.870 38.043 -0.173 1
1 448 . 1 1 1 A 36 36 ILE N N 36 120.260 122.297 -2.037 1
1 449 . 1 1 1 A 37 37 VAL H H 37 7.963 8.770 -0.807 1
1 450 . 1 1 1 A 37 37 VAL HA H 37 3.671 3.328 0.343 1
1 458 . 1 1 1 A 37 37 VAL C C 37 176.530 175.702 0.828 1
1 459 . 1 1 1 A 37 37 VAL CA C 37 62.969 62.802 0.167 1
1 460 . 1 1 1 A 37 37 VAL CB C 37 32.201 31.994 0.207 1
1 463 . 1 1 1 A 37 37 VAL N N 37 126.533 127.739 -1.206 1
1 464 . 1 1 1 A 38 38 SER H H 38 8.852 8.743 0.109 1
1 465 . 1 1 1 A 38 38 SER HA H 38 4.600 4.537 0.063 1
1 468 . 1 1 1 A 38 38 SER C C 38 174.950 175.847 -0.897 1
1 469 . 1 1 1 A 38 38 SER CA C 38 58.147 58.976 -0.829 1
1 470 . 1 1 1 A 38 38 SER CB C 38 65.224 63.751 1.473 1
1 471 . 1 1 1 A 38 38 SER N N 38 122.752 121.134 1.618 1
1 472 . 1 1 1 A 39 39 THR H H 39 8.870 8.829 0.041 1
1 473 . 1 1 1 A 39 39 THR HA H 39 4.153 4.023 0.130 1
1 478 . 1 1 1 A 39 39 THR C C 39 177.855 176.144 1.711 1
1 479 . 1 1 1 A 39 39 THR CA C 39 66.299 66.734 -0.435 1
1 480 . 1 1 1 A 39 39 THR CB C 39 68.559 68.680 -0.121 1
1 482 . 1 1 1 A 39 39 THR N N 39 116.391 121.802 -5.411 1
1 483 . 1 1 1 A 40 40 VAL H H 40 8.018 7.688 0.330 1
1 484 . 1 1 1 A 40 40 VAL HA H 40 4.028 3.601 0.427 1
1 492 . 1 1 1 A 40 40 VAL C C 40 178.339 177.166 1.173 1
1 493 . 1 1 1 A 40 40 VAL CA C 40 65.776 66.763 -0.987 1
1 494 . 1 1 1 A 40 40 VAL CB C 40 32.139 31.700 0.439 1
1 497 . 1 1 1 A 40 40 VAL N N 40 121.035 121.986 -0.951 1
1 498 . 1 1 1 A 41 41 ASP H H 41 7.610 8.777 -1.167 1
1 499 . 1 1 1 A 41 41 ASP HA H 41 4.570 4.441 0.129 1
1 502 . 1 1 1 A 41 41 ASP C C 41 178.746 179.735 -0.989 1
1 503 . 1 1 1 A 41 41 ASP CA C 41 57.492 57.104 0.388 1
1 504 . 1 1 1 A 41 41 ASP CB C 41 39.740 40.133 -0.393 1
1 505 . 1 1 1 A 41 41 ASP N N 41 124.108 119.343 4.765 1
1 506 . 1 1 1 A 42 42 GLY H H 42 9.363 8.872 0.491 1
1 507 . 1 1 1 A 42 42 GLY HA2 H 42 4.186 3.487 0.699 1
1 508 . 1 1 1 A 42 42 GLY HA3 H 42 3.584 3.860 -0.276 1
1 509 . 1 1 1 A 42 42 GLY C C 42 175.329 176.370 -1.041 1
1 510 . 1 1 1 A 42 42 GLY CA C 42 46.944 47.149 -0.205 1
1 511 . 1 1 1 A 42 42 GLY N N 42 109.572 109.462 0.110 1
1 512 . 1 1 1 A 43 43 ALA H H 43 7.949 8.176 -0.227 1
1 513 . 1 1 1 A 43 43 ALA HA H 43 4.240 4.081 0.159 1
1 517 . 1 1 1 A 43 43 ALA C C 43 180.375 179.904 0.471 1
1 518 . 1 1 1 A 43 43 ALA CA C 43 54.897 54.734 0.163 1
1 519 . 1 1 1 A 43 43 ALA CB C 43 17.895 18.366 -0.471 1
1 520 . 1 1 1 A 43 43 ALA N N 43 123.561 124.691 -1.130 1
1 521 . 1 1 1 A 44 44 PHE H H 44 7.337 7.629 -0.292 1
1 522 . 1 1 1 A 44 44 PHE HA H 44 3.957 4.345 -0.388 1
1 530 . 1 1 1 A 44 44 PHE C C 44 177.252 176.905 0.347 1
1 531 . 1 1 1 A 44 44 PHE CA C 44 61.508 61.546 -0.038 1
1 532 . 1 1 1 A 44 44 PHE CB C 44 38.993 39.172 -0.179 1
1 538 . 1 1 1 A 44 44 PHE N N 44 118.542 120.931 -2.389 1
1 539 . 1 1 1 A 45 45 LEU H H 45 8.301 8.257 0.044 1
1 540 . 1 1 1 A 45 45 LEU HA H 45 3.741 3.660 0.081 1
1 550 . 1 1 1 A 45 45 LEU C C 45 178.847 178.753 0.094 1
1 551 . 1 1 1 A 45 45 LEU CA C 45 57.643 57.855 -0.212 1
1 552 . 1 1 1 A 45 45 LEU CB C 45 41.274 40.862 0.412 1
1 556 . 1 1 1 A 45 45 LEU N N 45 119.345 119.429 -0.084 1
1 557 . 1 1 1 A 46 46 VAL H H 46 8.562 8.108 0.454 1
1 558 . 1 1 1 A 46 46 VAL HA H 46 3.759 3.532 0.227 1
1 566 . 1 1 1 A 46 46 VAL C C 46 177.077 177.175 -0.098 1
1 567 . 1 1 1 A 46 46 VAL CA C 46 67.081 67.139 -0.058 1
1 568 . 1 1 1 A 46 46 VAL CB C 46 31.639 31.615 0.024 1
1 571 . 1 1 1 A 46 46 VAL N N 46 118.458 118.294 0.164 1
1 572 . 1 1 1 A 47 47 GLU H H 47 6.896 7.777 -0.881 1
1 573 . 1 1 1 A 47 47 GLU HA H 47 4.019 4.001 0.018 1
1 578 . 1 1 1 A 47 47 GLU C C 47 179.738 179.100 0.638 1
1 579 . 1 1 1 A 47 47 GLU CA C 47 58.582 59.184 -0.602 1
1 580 . 1 1 1 A 47 47 GLU CB C 47 29.029 29.000 0.029 1
1 582 . 1 1 1 A 47 47 GLU N N 47 117.916 119.201 -1.285 1
1 583 . 1 1 1 A 48 48 ALA H H 48 8.310 7.962 0.348 1
1 584 . 1 1 1 A 48 48 ALA HA H 48 3.761 4.028 -0.267 1
1 588 . 1 1 1 A 48 48 ALA C C 48 179.636 179.146 0.490 1
1 589 . 1 1 1 A 48 48 ALA CA C 48 55.769 54.843 0.926 1
1 590 . 1 1 1 A 48 48 ALA CB C 48 17.370 18.247 -0.877 1
1 591 . 1 1 1 A 48 48 ALA N N 48 123.600 122.655 0.945 1
1 592 . 1 1 1 A 49 49 LEU H H 49 8.724 8.085 0.639 1
1 593 . 1 1 1 A 49 49 LEU HA H 49 3.924 4.058 -0.134 1
1 603 . 1 1 1 A 49 49 LEU C C 49 178.188 178.942 -0.754 1
1 604 . 1 1 1 A 49 49 LEU CA C 49 57.387 57.545 -0.158 1
1 605 . 1 1 1 A 49 49 LEU CB C 49 41.780 41.443 0.337 1
1 609 . 1 1 1 A 49 49 LEU N N 49 119.812 120.451 -0.639 1
1 610 . 1 1 1 A 50 50 LYS H H 50 7.421 8.294 -0.873 1
1 611 . 1 1 1 A 50 50 LYS HA H 50 3.856 3.966 -0.110 1
1 620 . 1 1 1 A 50 50 LYS C C 50 177.592 178.523 -0.931 1
1 621 . 1 1 1 A 50 50 LYS CA C 50 59.345 59.549 -0.204 1
1 622 . 1 1 1 A 50 50 LYS CB C 50 32.757 31.986 0.771 1
1 626 . 1 1 1 A 50 50 LYS N N 50 115.568 118.751 -3.183 1
1 627 . 1 1 1 A 51 51 ARG H H 51 7.787 7.905 -0.118 1
1 628 . 1 1 1 A 51 51 ARG HA H 51 4.356 4.173 0.183 1
1 635 . 1 1 1 A 51 51 ARG C C 51 176.424 175.105 1.319 1
1 636 . 1 1 1 A 51 51 ARG CA C 51 55.690 57.181 -1.491 1
1 637 . 1 1 1 A 51 51 ARG CB C 51 30.227 29.623 0.604 1
1 640 . 1 1 1 A 51 51 ARG N N 51 115.686 115.309 0.377 1
1 641 . 1 1 1 A 52 52 HIS H H 52 8.159 7.582 0.577 1
1 642 . 1 1 1 A 52 52 HIS HA H 52 4.512 4.871 -0.359 1
1 646 . 1 1 1 A 52 52 HIS C C 52 175.409 174.970 0.439 1
1 647 . 1 1 1 A 52 52 HIS CA C 52 56.087 53.872 2.215 1
1 648 . 1 1 1 A 52 52 HIS CB C 52 32.904 31.199 1.705 1
1 650 . 1 1 1 A 52 52 HIS N N 52 125.025 118.266 6.759 1
1 651 . 1 1 1 A 53 53 PRO HA H 53 4.341 4.251 0.090 1
1 658 . 1 1 1 A 53 53 PRO CA C 53 65.210 65.059 0.151 1
1 659 . 1 1 1 A 53 53 PRO CB C 53 31.791 31.879 -0.088 1
1 662 . 1 1 1 A 54 54 ASP H H 54 8.058 8.647 -0.589 1
1 663 . 1 1 1 A 54 54 ASP HA H 54 5.184 4.589 0.595 1
1 666 . 1 1 1 A 54 54 ASP C C 54 176.079 177.273 -1.194 1
1 667 . 1 1 1 A 54 54 ASP CA C 54 52.778 55.031 -2.253 1
1 668 . 1 1 1 A 54 54 ASP CB C 54 41.573 40.848 0.725 1
1 669 . 1 1 1 A 55 55 ALA H H 55 7.731 7.913 -0.182 1
1 670 . 1 1 1 A 55 55 ALA HA H 55 3.589 3.971 -0.382 1
1 674 . 1 1 1 A 55 55 ALA C C 55 178.550 179.898 -1.348 1
1 675 . 1 1 1 A 55 55 ALA CA C 55 57.024 55.352 1.672 1
1 676 . 1 1 1 A 55 55 ALA CB C 55 20.320 18.764 1.556 1
1 677 . 1 1 1 A 55 55 ALA N N 55 122.261 122.993 -0.732 1
1 678 . 1 1 1 A 56 56 THR H H 56 8.405 8.062 0.343 1
1 679 . 1 1 1 A 56 56 THR HA H 56 3.804 3.912 -0.108 1
1 684 . 1 1 1 A 56 56 THR C C 56 177.743 177.293 0.450 1
1 685 . 1 1 1 A 56 56 THR CA C 56 67.024 65.617 1.407 1
1 686 . 1 1 1 A 56 56 THR CB C 56 68.257 68.854 -0.597 1
1 688 . 1 1 1 A 56 56 THR N N 56 110.600 113.171 -2.571 1
1 689 . 1 1 1 A 57 57 SER H H 57 7.907 7.926 -0.019 1
1 690 . 1 1 1 A 57 57 SER HA H 57 4.251 4.088 0.163 1
1 693 . 1 1 1 A 57 57 SER C C 57 176.547 176.506 0.041 1
1 694 . 1 1 1 A 57 57 SER CA C 57 60.395 61.475 -1.080 1
1 695 . 1 1 1 A 57 57 SER CB C 57 62.766 63.134 -0.368 1
1 696 . 1 1 1 A 57 57 SER N N 57 117.623 118.144 -0.521 1
1 697 . 1 1 1 A 58 58 LYS H H 58 8.180 7.836 0.344 1
1 698 . 1 1 1 A 58 58 LYS HA H 58 3.687 4.120 -0.433 1
1 707 . 1 1 1 A 58 58 LYS C C 58 178.074 179.717 -1.643 1
1 708 . 1 1 1 A 58 58 LYS CA C 58 58.090 59.300 -1.210 1
1 709 . 1 1 1 A 58 58 LYS CB C 58 32.328 32.278 0.050 1
1 713 . 1 1 1 A 58 58 LYS N N 58 120.772 121.485 -0.713 1
1 714 . 1 1 1 A 59 59 ILE H H 59 8.407 7.895 0.512 1
1 715 . 1 1 1 A 59 59 ILE HA H 59 3.336 3.755 -0.419 1
1 725 . 1 1 1 A 59 59 ILE C C 59 176.705 176.915 -0.210 1
1 726 . 1 1 1 A 59 59 ILE CA C 59 64.224 63.814 0.410 1
1 727 . 1 1 1 A 59 59 ILE CB C 59 38.989 38.509 0.480 1
1 731 . 1 1 1 A 59 59 ILE N N 59 119.024 119.340 -0.316 1
1 732 . 1 1 1 A 60 60 GLY H H 60 7.360 7.878 -0.518 1
1 733 . 1 1 1 A 60 60 GLY HA2 H 60 3.884 3.944 -0.060 1
1 734 . 1 1 1 A 60 60 GLY HA3 H 60 3.614 3.946 -0.332 1
1 735 . 1 1 1 A 60 60 GLY C C 60 173.964 174.730 -0.766 1
1 736 . 1 1 1 A 60 60 GLY CA C 60 44.586 46.637 -2.051 1
1 737 . 1 1 1 A 60 60 GLY N N 60 106.081 109.587 -3.506 1
1 738 . 1 1 1 A 61 61 PRO HA H 61 4.486 4.492 -0.006 1
1 745 . 1 1 1 A 61 61 PRO C C 61 175.603 176.312 -0.709 1
1 746 . 1 1 1 A 61 61 PRO CA C 61 63.473 64.004 -0.531 1
1 747 . 1 1 1 A 61 61 PRO CB C 61 31.981 31.953 0.028 1
1 750 . 1 1 1 A 62 62 GLY H H 62 7.835 6.760 1.075 1
1 751 . 1 1 1 A 62 62 GLY HA2 H 62 4.378 4.014 0.364 1
1 752 . 1 1 1 A 62 62 GLY HA3 H 62 3.416 4.017 -0.601 1
1 753 . 1 1 1 A 62 62 GLY C C 62 172.596 171.993 0.603 1
1 754 . 1 1 1 A 62 62 GLY CA C 62 44.498 45.194 -0.696 1
1 755 . 1 1 1 A 62 62 GLY N N 62 110.214 106.829 3.385 1
1 756 . 1 1 1 A 63 63 VAL H H 63 8.646 8.593 0.053 1
1 757 . 1 1 1 A 63 63 VAL HA H 63 3.668 3.994 -0.326 1
1 765 . 1 1 1 A 63 63 VAL C C 63 175.808 175.841 -0.033 1
1 766 . 1 1 1 A 63 63 VAL CA C 63 63.681 62.514 1.167 1
1 767 . 1 1 1 A 63 63 VAL CB C 63 32.863 31.521 1.342 1
1 770 . 1 1 1 A 63 63 VAL N N 63 122.735 120.900 1.835 1
1 771 . 1 1 1 A 64 64 ARG H H 64 9.524 9.214 0.310 1
1 772 . 1 1 1 A 64 64 ARG HA H 64 4.254 4.329 -0.075 1
1 779 . 1 1 1 A 64 64 ARG C C 64 175.574 175.870 -0.296 1
1 780 . 1 1 1 A 64 64 ARG CA C 64 57.310 57.148 0.162 1
1 781 . 1 1 1 A 64 64 ARG CB C 64 31.928 31.527 0.401 1
1 784 . 1 1 1 A 64 64 ARG N N 64 129.782 129.435 0.347 1
1 785 . 1 1 1 A 65 65 ASN H H 65 8.089 7.232 0.857 1
1 786 . 1 1 1 A 65 65 ASN HA H 65 4.662 4.927 -0.265 1
1 791 . 1 1 1 A 65 65 ASN C C 65 171.753 171.952 -0.199 1
1 792 . 1 1 1 A 65 65 ASN CA C 65 53.279 52.051 1.228 1
1 793 . 1 1 1 A 65 65 ASN CB C 65 43.717 40.053 3.664 1
1 794 . 1 1 1 A 65 65 ASN N N 65 114.163 112.652 1.511 1
1 796 . 1 1 1 A 66 66 PHE H H 66 9.064 8.686 0.378 1
1 797 . 1 1 1 A 66 66 PHE HA H 66 5.738 5.693 0.045 1
1 805 . 1 1 1 A 66 66 PHE C C 66 174.834 174.322 0.512 1
1 806 . 1 1 1 A 66 66 PHE CA C 66 56.578 56.484 0.094 1
1 807 . 1 1 1 A 66 66 PHE CB C 66 41.888 42.499 -0.611 1
1 813 . 1 1 1 A 66 66 PHE N N 66 114.774 116.407 -1.633 1
1 814 . 1 1 1 A 67 67 GLU H H 67 9.328 9.247 0.081 1
1 815 . 1 1 1 A 67 67 GLU HA H 67 5.307 5.186 0.121 1
1 820 . 1 1 1 A 67 67 GLU C C 67 174.999 175.137 -0.138 1
1 821 . 1 1 1 A 67 67 GLU CA C 67 54.003 54.558 -0.555 1
1 822 . 1 1 1 A 67 67 GLU CB C 67 35.678 33.429 2.249 1
1 824 . 1 1 1 A 67 67 GLU N N 67 122.005 123.732 -1.727 1
1 825 . 1 1 1 A 68 68 VAL H H 68 8.598 8.546 0.052 1
1 826 . 1 1 1 A 68 68 VAL HA H 68 4.859 4.428 0.431 1
1 834 . 1 1 1 A 68 68 VAL C C 68 175.361 175.208 0.153 1
1 835 . 1 1 1 A 68 68 VAL CA C 68 62.102 62.271 -0.169 1
1 836 . 1 1 1 A 68 68 VAL CB C 68 32.865 30.945 1.920 1
1 839 . 1 1 1 A 68 68 VAL N N 68 124.692 127.329 -2.637 1
1 840 . 1 1 1 A 69 69 ARG H H 69 8.896 8.863 0.033 1
1 841 . 1 1 1 A 69 69 ARG HA H 69 4.888 4.956 -0.068 1
1 848 . 1 1 1 A 69 69 ARG C C 69 175.469 174.947 0.522 1
1 849 . 1 1 1 A 69 69 ARG CA C 69 54.384 53.981 0.403 1
1 850 . 1 1 1 A 69 69 ARG CB C 69 34.979 33.654 1.325 1
1 853 . 1 1 1 A 69 69 ARG N N 69 123.599 128.748 -5.149 1
1 854 . 1 1 1 A 70 70 SER H H 70 8.758 8.867 -0.109 1
1 855 . 1 1 1 A 70 70 SER HA H 70 4.511 4.931 -0.420 1
1 858 . 1 1 1 A 70 70 SER C C 70 173.488 175.261 -1.773 1
1 859 . 1 1 1 A 70 70 SER CA C 70 59.858 58.212 1.646 1
1 860 . 1 1 1 A 70 70 SER CB C 70 63.927 63.909 0.018 1
1 861 . 1 1 1 A 70 70 SER N N 70 116.239 117.452 -1.213 1
1 862 . 1 1 1 A 71 71 ALA H H 71 8.456 9.220 -0.764 1
1 863 . 1 1 1 A 71 71 ALA HA H 71 4.688 4.368 0.320 1
1 867 . 1 1 1 A 71 71 ALA C C 71 176.054 178.281 -2.227 1
1 868 . 1 1 1 A 71 71 ALA CA C 71 51.016 54.950 -3.934 1
1 869 . 1 1 1 A 71 71 ALA CB C 71 20.324 19.001 1.323 1
1 870 . 1 1 1 A 71 71 ALA N N 71 128.999 126.489 2.510 1
1 871 . 1 1 1 A 72 72 ASP H H 72 7.968 7.831 0.137 1
1 872 . 1 1 1 A 72 72 ASP HA H 72 4.361 4.655 -0.294 1
1 875 . 1 1 1 A 72 72 ASP C C 72 176.444 174.659 1.785 1
1 876 . 1 1 1 A 72 72 ASP CA C 72 54.732 54.614 0.118 1
1 877 . 1 1 1 A 72 72 ASP CB C 72 41.060 41.652 -0.592 1
1 878 . 1 1 1 A 72 72 ASP N N 72 118.176 113.353 4.823 1
1 879 . 1 1 1 A 73 73 TYR H H 73 8.768 8.139 0.629 1
1 880 . 1 1 1 A 73 73 TYR HA H 73 4.309 4.908 -0.599 1
1 887 . 1 1 1 A 73 73 TYR C C 73 176.601 176.124 0.477 1
1 888 . 1 1 1 A 73 73 TYR CA C 73 58.799 56.800 1.999 1
1 889 . 1 1 1 A 73 73 TYR CB C 73 36.239 40.503 -4.264 1
1 894 . 1 1 1 A 73 73 TYR N N 73 117.846 116.399 1.447 1
1 895 . 1 1 1 A 74 74 GLY H H 74 8.533 9.182 -0.649 1
1 896 . 1 1 1 A 74 74 GLY HA2 H 74 4.069 3.989 0.080 1
1 897 . 1 1 1 A 74 74 GLY HA3 H 74 3.844 4.006 -0.162 1
1 898 . 1 1 1 A 74 74 GLY C C 74 175.060 174.456 0.604 1
1 899 . 1 1 1 A 74 74 GLY CA C 74 46.117 45.362 0.755 1
1 900 . 1 1 1 A 74 74 GLY N N 74 108.255 113.581 -5.326 1
1 901 . 1 1 1 A 75 75 THR H H 75 7.534 8.022 -0.488 1
1 902 . 1 1 1 A 75 75 THR HA H 75 4.687 4.367 0.320 1
1 907 . 1 1 1 A 75 75 THR C C 75 173.779 173.827 -0.048 1
1 908 . 1 1 1 A 75 75 THR CA C 75 61.115 62.619 -1.504 1
1 909 . 1 1 1 A 75 75 THR CB C 75 71.585 69.636 1.949 1
1 911 . 1 1 1 A 75 75 THR N N 75 111.431 114.234 -2.803 1
1 912 . 1 1 1 A 76 76 GLN H H 76 8.590 8.468 0.122 1
1 913 . 1 1 1 A 76 76 GLN HA H 76 5.238 5.080 0.158 1
1 920 . 1 1 1 A 76 76 GLN C C 76 173.605 174.767 -1.162 1
1 921 . 1 1 1 A 76 76 GLN CA C 76 54.556 54.405 0.151 1
1 922 . 1 1 1 A 76 76 GLN CB C 76 31.657 31.369 0.288 1
1 924 . 1 1 1 A 76 76 GLN N N 76 117.495 121.509 -4.014 1
1 926 . 1 1 1 A 77 77 CYS H H 77 9.058 8.538 0.520 1
1 927 . 1 1 1 A 77 77 CYS HA H 77 4.780 4.879 -0.099 1
1 930 . 1 1 1 A 77 77 CYS C C 77 172.371 173.322 -0.951 1
1 931 . 1 1 1 A 77 77 CYS CA C 77 56.886 57.796 -0.910 1
1 932 . 1 1 1 A 77 77 CYS CB C 77 31.492 32.264 -0.772 1
1 933 . 1 1 1 A 77 77 CYS N N 77 114.572 119.426 -4.854 1
1 934 . 1 1 1 A 78 78 PHE H H 78 8.872 8.693 0.179 1
1 935 . 1 1 1 A 78 78 PHE HA H 78 5.419 5.232 0.187 1
1 943 . 1 1 1 A 78 78 PHE CA C 78 58.466 56.379 2.087 1
1 944 . 1 1 1 A 78 78 PHE CB C 78 42.360 40.210 2.150 1
1 950 . 1 1 1 A 78 78 PHE N N 78 120.396 120.352 0.044 1
1 951 . 1 1 1 A 79 79 TRP H H 79 10.003 9.530 0.473 1
1 952 . 1 1 1 A 79 79 TRP HA H 79 4.907 5.503 -0.596 1
1 961 . 1 1 1 A 79 79 TRP CA C 79 57.535 56.013 1.522 1
1 962 . 1 1 1 A 79 79 TRP CB C 79 30.788 31.273 -0.485 1
1 968 . 1 1 1 A 79 79 TRP N N 79 120.993 123.338 -2.345 1
1 970 . 1 1 1 A 80 80 ILE H H 80 9.669 9.511 0.158 1
1 971 . 1 1 1 A 80 80 ILE HA H 80 3.773 4.294 -0.521 1
1 981 . 1 1 1 A 80 80 ILE C C 80 174.675 175.212 -0.537 1
1 982 . 1 1 1 A 80 80 ILE CA C 80 61.505 60.711 0.794 1
1 983 . 1 1 1 A 80 80 ILE CB C 80 40.765 37.674 3.091 1
1 987 . 1 1 1 A 80 80 ILE N N 80 122.205 124.920 -2.715 1
1 988 . 1 1 1 A 81 81 LEU H H 81 8.489 8.977 -0.488 1
1 989 . 1 1 1 A 81 81 LEU HA H 81 5.037 4.777 0.260 1
1 999 . 1 1 1 A 81 81 LEU C C 81 177.301 176.456 0.845 1
1 1000 . 1 1 1 A 81 81 LEU CA C 81 53.483 53.952 -0.469 1
1 1001 . 1 1 1 A 81 81 LEU CB C 81 40.344 42.022 -1.678 1
1 1005 . 1 1 1 A 81 81 LEU N N 81 127.849 129.119 -1.270 1
1 1006 . 1 1 1 A 82 82 ARG H H 82 8.980 9.032 -0.052 1
1 1007 . 1 1 1 A 82 82 ARG HA H 82 5.127 4.435 0.692 1
1 1014 . 1 1 1 A 82 82 ARG C C 82 179.527 177.677 1.850 1
1 1015 . 1 1 1 A 82 82 ARG CA C 82 57.410 55.848 1.562 1
1 1016 . 1 1 1 A 82 82 ARG CB C 82 31.995 30.894 1.101 1
1 1019 . 1 1 1 A 82 82 ARG N N 82 121.829 125.279 -3.450 1
1 1020 . 1 1 1 A 83 83 THR H H 83 8.427 8.738 -0.311 1
1 1021 . 1 1 1 A 83 83 THR HA H 83 3.823 4.034 -0.211 1
1 1026 . 1 1 1 A 83 83 THR C C 83 174.540 174.907 -0.367 1
1 1027 . 1 1 1 A 83 83 THR CA C 83 64.441 64.705 -0.264 1
1 1028 . 1 1 1 A 83 83 THR CB C 83 67.987 68.671 -0.684 1
1 1030 . 1 1 1 A 83 83 THR N N 83 111.631 116.397 -4.766 1
1 1031 . 1 1 1 A 84 84 ASP H H 84 7.431 7.877 -0.446 1
1 1032 . 1 1 1 A 84 84 ASP HA H 84 4.706 4.516 0.190 1
1 1035 . 1 1 1 A 84 84 ASP C C 84 177.092 176.691 0.401 1
1 1036 . 1 1 1 A 84 84 ASP CA C 84 52.983 53.478 -0.495 1
1 1037 . 1 1 1 A 84 84 ASP CB C 84 40.502 40.020 0.482 1
1 1038 . 1 1 1 A 84 84 ASP N N 84 117.630 119.136 -1.506 1
1 1039 . 1 1 1 A 85 85 GLY H H 85 7.924 8.087 -0.163 1
1 1040 . 1 1 1 A 85 85 GLY HA2 H 85 3.741 3.895 -0.154 1
1 1041 . 1 1 1 A 85 85 GLY HA3 H 85 4.364 3.897 0.467 1
1 1042 . 1 1 1 A 85 85 GLY C C 85 174.007 174.351 -0.344 1
1 1043 . 1 1 1 A 85 85 GLY CA C 85 45.370 45.040 0.330 1
1 1044 . 1 1 1 A 85 85 GLY N N 85 108.078 109.960 -1.882 1
1 1045 . 1 1 1 A 86 86 SER H H 86 8.009 7.940 0.069 1
1 1046 . 1 1 1 A 86 86 SER HA H 86 4.563 4.808 -0.245 1
1 1049 . 1 1 1 A 86 86 SER C C 86 172.835 173.191 -0.356 1
1 1050 . 1 1 1 A 86 86 SER CA C 86 58.731 57.733 0.998 1
1 1051 . 1 1 1 A 86 86 SER CB C 86 64.803 65.852 -1.049 1
1 1052 . 1 1 1 A 86 86 SER N N 86 117.029 117.951 -0.922 1
1 1053 . 1 1 1 A 87 87 GLU H H 87 8.593 9.170 -0.577 1
1 1054 . 1 1 1 A 87 87 GLU HA H 87 5.921 5.630 0.291 1
1 1059 . 1 1 1 A 87 87 GLU C C 87 175.873 174.583 1.290 1
1 1060 . 1 1 1 A 87 87 GLU CA C 87 54.343 54.529 -0.186 1
1 1061 . 1 1 1 A 87 87 GLU CB C 87 33.925 34.317 -0.392 1
1 1063 . 1 1 1 A 87 87 GLU N N 87 116.585 118.891 -2.306 1
1 1064 . 1 1 1 A 88 88 GLU HA H 88 4.496 4.985 -0.489 1
1 1069 . 1 1 1 A 88 88 GLU CA C 88 55.840 55.003 0.837 1
1 1070 . 1 1 1 A 88 88 GLU CB C 88 34.310 34.028 0.282 1
1 1072 . 1 1 1 A 89 89 ARG H H 89 8.013 8.615 -0.602 1
1 1073 . 1 1 1 A 89 89 ARG HA H 89 3.184 4.825 -1.641 1
1 1080 . 1 1 1 A 89 89 ARG CA C 89 56.576 54.045 2.531 1
1 1081 . 1 1 1 A 89 89 ARG CB C 89 30.462 33.162 -2.700 1
1 1084 . 1 1 1 A 89 89 ARG N N 89 127.945 117.977 9.968 1
1 1085 . 1 1 1 A 90 90 PHE HA H 90 5.021 5.533 -0.512 1
1 1093 . 1 1 1 A 90 90 PHE CA C 90 55.089 55.331 -0.242 1
1 1094 . 1 1 1 A 90 90 PHE CB C 90 40.446 42.434 -1.988 1
1 1100 . 1 1 1 A 91 91 SER HA H 91 4.639 4.290 0.349 1
1 1103 . 1 1 1 A 91 91 SER CA C 91 56.242 58.465 -2.223 1
1 1104 . 1 1 1 A 91 91 SER CB C 91 62.621 61.917 0.704 1
1 1105 . 1 1 1 A 92 92 TYR HA H 92 4.268 4.310 -0.042 1
1 1112 . 1 1 1 A 92 92 TYR C C 92 176.450 177.418 -0.968 1
1 1113 . 1 1 1 A 92 92 TYR CA C 92 59.575 60.953 -1.378 1
1 1114 . 1 1 1 A 92 92 TYR CB C 92 37.283 37.780 -0.497 1
1 1119 . 1 1 1 A 93 93 LYS H H 93 7.405 7.682 -0.277 1
1 1120 . 1 1 1 A 93 93 LYS HA H 93 3.749 3.931 -0.182 1
1 1129 . 1 1 1 A 93 93 LYS C C 93 177.715 177.316 0.399 1
1 1130 . 1 1 1 A 93 93 LYS CA C 93 58.446 58.246 0.200 1
1 1131 . 1 1 1 A 93 93 LYS CB C 93 31.822 31.726 0.096 1
1 1135 . 1 1 1 A 93 93 LYS N N 93 120.689 118.540 2.149 1
1 1136 . 1 1 1 A 94 94 LYS H H 94 7.405 7.661 -0.256 1
1 1137 . 1 1 1 A 94 94 LYS HA H 94 4.079 4.792 -0.713 1
1 1146 . 1 1 1 A 94 94 LYS C C 94 176.709 177.175 -0.466 1
1 1147 . 1 1 1 A 94 94 LYS CA C 94 56.479 55.541 0.938 1
1 1148 . 1 1 1 A 94 94 LYS CB C 94 32.760 32.808 -0.048 1
1 1152 . 1 1 1 A 94 94 LYS N N 94 115.712 118.241 -2.529 1
1 1153 . 1 1 1 A 95 95 CYS H H 95 7.537 8.075 -0.538 1
1 1154 . 1 1 1 A 95 95 CYS HA H 95 3.937 4.508 -0.571 1
1 1157 . 1 1 1 A 95 95 CYS C C 95 173.487 175.966 -2.479 1
1 1158 . 1 1 1 A 95 95 CYS CA C 95 61.795 61.904 -0.109 1
1 1159 . 1 1 1 A 95 95 CYS CB C 95 27.546 27.434 0.112 1
1 1160 . 1 1 1 A 95 95 CYS N N 95 115.586 119.351 -3.765 1
1 1161 . 1 1 1 A 96 96 VAL HA H 96 4.154 4.096 0.058 1
1 1169 . 1 1 1 A 96 96 VAL C C 96 175.216 175.030 0.186 1
1 1170 . 1 1 1 A 96 96 VAL CA C 96 61.916 63.601 -1.685 1
1 1171 . 1 1 1 A 96 96 VAL CB C 96 31.695 32.221 -0.526 1
1 1174 . 1 1 1 A 97 97 LEU H H 97 8.002 7.510 0.492 1
1 1175 . 1 1 1 A 97 97 LEU HA H 97 4.316 4.863 -0.547 1
1 1185 . 1 1 1 A 97 97 LEU C C 97 176.168 176.207 -0.039 1
1 1186 . 1 1 1 A 97 97 LEU CA C 97 54.770 53.721 1.049 1
1 1187 . 1 1 1 A 97 97 LEU CB C 97 42.558 47.055 -4.497 1
1 1191 . 1 1 1 A 97 97 LEU N N 97 124.364 119.079 5.285 1
1 1192 . 1 1 1 A 98 98 GLU H H 98 8.345 8.913 -0.568 1
1 1193 . 1 1 1 A 98 98 GLU HA H 98 4.301 4.588 -0.287 1
1 1198 . 1 1 1 A 98 98 GLU C C 98 175.732 176.895 -1.163 1
1 1199 . 1 1 1 A 98 98 GLU CA C 98 55.988 58.066 -2.078 1
1 1200 . 1 1 1 A 98 98 GLU CB C 98 30.989 30.912 0.077 1
1 1 . 2 1 1 A 2 2 ALA HA H 2 4.102 4.201 -0.099 1
1 5 . 2 1 1 A 2 2 ALA CA C 2 51.775 55.089 -3.314 1
1 6 . 2 1 1 A 2 2 ALA CB C 2 19.665 18.692 0.973 1
1 7 . 2 1 1 A 3 3 LYS HA H 3 4.329 4.534 -0.205 1
1 15 . 2 1 1 A 3 3 LYS C C 3 176.086 175.972 0.114 1
1 16 . 2 1 1 A 3 3 LYS CA C 3 56.354 55.061 1.293 1
1 17 . 2 1 1 A 3 3 LYS CB C 3 33.325 33.359 -0.034 1
1 21 . 2 1 1 A 4 4 ALA H H 4 8.515 8.486 0.029 1
1 22 . 2 1 1 A 4 4 ALA HA H 4 4.356 4.245 0.111 1
1 26 . 2 1 1 A 4 4 ALA C C 4 177.307 177.307 0.000 1
1 27 . 2 1 1 A 4 4 ALA CA C 4 52.316 52.629 -0.313 1
1 28 . 2 1 1 A 4 4 ALA CB C 4 19.421 19.229 0.192 1
1 29 . 2 1 1 A 4 4 ALA N N 4 126.866 124.129 2.737 1
1 30 . 2 1 1 A 5 5 GLN H H 5 8.521 8.302 0.219 1
1 31 . 2 1 1 A 5 5 GLN HA H 5 4.652 4.631 0.021 1
1 38 . 2 1 1 A 5 5 GLN C C 5 173.576 175.136 -1.560 1
1 39 . 2 1 1 A 5 5 GLN CA C 5 53.470 54.120 -0.650 1
1 40 . 2 1 1 A 5 5 GLN CB C 5 29.457 29.191 0.266 1
1 42 . 2 1 1 A 5 5 GLN N N 5 122.182 121.100 1.082 1
1 44 . 2 1 1 A 6 6 PRO HA H 6 4.587 4.727 -0.140 1
1 51 . 2 1 1 A 6 6 PRO C C 6 176.481 175.706 0.775 1
1 52 . 2 1 1 A 6 6 PRO CA C 6 63.028 62.433 0.595 1
1 53 . 2 1 1 A 6 6 PRO CB C 6 32.905 32.380 0.525 1
1 56 . 2 1 1 A 7 7 ILE H H 7 8.581 8.822 -0.241 1
1 57 . 2 1 1 A 7 7 ILE HA H 7 4.245 4.451 -0.206 1
1 67 . 2 1 1 A 7 7 ILE C C 7 174.129 174.509 -0.380 1
1 68 . 2 1 1 A 7 7 ILE CA C 7 60.613 60.521 0.092 1
1 69 . 2 1 1 A 7 7 ILE CB C 7 40.266 37.670 2.596 1
1 73 . 2 1 1 A 7 7 ILE N N 7 120.418 121.746 -1.328 1
1 74 . 2 1 1 A 8 8 GLU H H 8 8.572 9.038 -0.466 1
1 75 . 2 1 1 A 8 8 GLU HA H 8 5.363 4.985 0.378 1
1 80 . 2 1 1 A 8 8 GLU C C 8 175.806 175.390 0.416 1
1 81 . 2 1 1 A 8 8 GLU CA C 8 54.749 55.503 -0.754 1
1 82 . 2 1 1 A 8 8 GLU CB C 8 31.505 31.210 0.295 1
1 84 . 2 1 1 A 8 8 GLU N N 8 128.440 128.420 0.020 1
1 85 . 2 1 1 A 9 9 ILE H H 9 8.591 8.892 -0.301 1
1 86 . 2 1 1 A 9 9 ILE HA H 9 4.111 4.461 -0.350 1
1 96 . 2 1 1 A 9 9 ILE C C 9 174.977 176.110 -1.133 1
1 97 . 2 1 1 A 9 9 ILE CA C 9 60.967 60.204 0.763 1
1 98 . 2 1 1 A 9 9 ILE CB C 9 41.559 39.571 1.988 1
1 102 . 2 1 1 A 9 9 ILE N N 9 123.957 127.594 -3.637 1
1 103 . 2 1 1 A 10 10 ALA H H 10 9.398 9.168 0.230 1
1 104 . 2 1 1 A 10 10 ALA HA H 10 4.072 4.050 0.022 1
1 108 . 2 1 1 A 10 10 ALA C C 10 177.026 177.212 -0.186 1
1 109 . 2 1 1 A 10 10 ALA CA C 10 52.646 53.462 -0.816 1
1 110 . 2 1 1 A 10 10 ALA CB C 10 18.121 18.044 0.077 1
1 111 . 2 1 1 A 10 10 ALA N N 10 130.074 131.925 -1.851 1
1 112 . 2 1 1 A 11 11 GLY H H 11 8.958 8.445 0.513 1
1 113 . 2 1 1 A 11 11 GLY HA2 H 11 4.046 3.688 0.358 1
1 114 . 2 1 1 A 11 11 GLY HA3 H 11 3.570 3.715 -0.145 1
1 115 . 2 1 1 A 11 11 GLY C C 11 174.139 173.638 0.501 1
1 116 . 2 1 1 A 11 11 GLY CA C 11 45.467 45.451 0.016 1
1 117 . 2 1 1 A 11 11 GLY N N 11 105.460 102.581 2.879 1
1 118 . 2 1 1 A 12 12 HIS H H 12 8.189 7.947 0.242 1
1 119 . 2 1 1 A 12 12 HIS HA H 12 4.325 4.270 0.055 1
1 124 . 2 1 1 A 12 12 HIS C C 12 173.060 174.352 -1.292 1
1 125 . 2 1 1 A 12 12 HIS CA C 12 54.628 55.411 -0.783 1
1 126 . 2 1 1 A 12 12 HIS CB C 12 30.432 29.942 0.490 1
1 129 . 2 1 1 A 12 12 HIS N N 12 120.216 118.595 1.621 1
1 130 . 2 1 1 A 13 13 GLU H H 13 8.338 8.766 -0.428 1
1 131 . 2 1 1 A 13 13 GLU HA H 13 4.659 4.473 0.186 1
1 136 . 2 1 1 A 13 13 GLU C C 13 175.231 174.871 0.360 1
1 137 . 2 1 1 A 13 13 GLU CA C 13 55.147 56.005 -0.858 1
1 138 . 2 1 1 A 13 13 GLU CB C 13 31.218 30.366 0.852 1
1 140 . 2 1 1 A 13 13 GLU N N 13 122.925 124.631 -1.706 1
1 141 . 2 1 1 A 14 14 PHE H H 14 9.117 9.190 -0.073 1
1 142 . 2 1 1 A 14 14 PHE HA H 14 4.941 5.194 -0.253 1
1 150 . 2 1 1 A 14 14 PHE C C 14 175.179 175.830 -0.651 1
1 151 . 2 1 1 A 14 14 PHE CA C 14 56.302 56.594 -0.292 1
1 152 . 2 1 1 A 14 14 PHE CB C 14 41.499 39.194 2.305 1
1 158 . 2 1 1 A 14 14 PHE N N 14 123.141 124.085 -0.944 1
1 159 . 2 1 1 A 15 15 ALA H H 15 9.393 8.783 0.610 1
1 160 . 2 1 1 A 15 15 ALA HA H 15 4.130 4.369 -0.239 1
1 164 . 2 1 1 A 15 15 ALA C C 15 177.675 177.170 0.505 1
1 165 . 2 1 1 A 15 15 ALA CA C 15 54.880 52.799 2.081 1
1 166 . 2 1 1 A 15 15 ALA CB C 15 18.986 19.271 -0.285 1
1 167 . 2 1 1 A 15 15 ALA N N 15 126.102 127.163 -1.061 1
1 168 . 2 1 1 A 16 16 ARG H H 16 7.756 7.692 0.064 1
1 169 . 2 1 1 A 16 16 ARG HA H 16 4.809 4.806 0.003 1
1 176 . 2 1 1 A 16 16 ARG C C 16 177.344 175.919 1.425 1
1 177 . 2 1 1 A 16 16 ARG CA C 16 53.409 55.317 -1.908 1
1 178 . 2 1 1 A 16 16 ARG CB C 16 33.323 33.149 0.174 1
1 181 . 2 1 1 A 16 16 ARG N N 16 110.189 117.095 -6.906 1
1 182 . 2 1 1 A 17 17 LYS H H 17 9.303 8.867 0.436 1
1 183 . 2 1 1 A 17 17 LYS HA H 17 3.742 3.902 -0.160 1
1 192 . 2 1 1 A 17 17 LYS C C 17 178.667 177.617 1.050 1
1 193 . 2 1 1 A 17 17 LYS CA C 17 60.663 59.253 1.410 1
1 194 . 2 1 1 A 17 17 LYS CB C 17 32.005 32.210 -0.205 1
1 198 . 2 1 1 A 17 17 LYS N N 17 125.242 125.912 -0.670 1
1 199 . 2 1 1 A 18 18 ALA H H 18 8.777 7.961 0.816 1
1 200 . 2 1 1 A 18 18 ALA HA H 18 4.046 4.112 -0.066 1
1 204 . 2 1 1 A 18 18 ALA C C 18 180.134 179.498 0.636 1
1 205 . 2 1 1 A 18 18 ALA CA C 18 55.181 55.118 0.063 1
1 206 . 2 1 1 A 18 18 ALA CB C 18 18.633 18.348 0.285 1
1 207 . 2 1 1 A 18 18 ALA N N 18 118.670 121.088 -2.418 1
1 208 . 2 1 1 A 19 19 ASP H H 19 7.454 8.118 -0.664 1
1 209 . 2 1 1 A 19 19 ASP HA H 19 4.586 4.458 0.128 1
1 212 . 2 1 1 A 19 19 ASP C C 19 178.469 177.975 0.494 1
1 213 . 2 1 1 A 19 19 ASP CA C 19 57.082 56.857 0.225 1
1 214 . 2 1 1 A 19 19 ASP CB C 19 41.304 41.285 0.019 1
1 215 . 2 1 1 A 19 19 ASP N N 19 117.020 118.840 -1.820 1
1 216 . 2 1 1 A 20 20 ALA H H 20 7.123 7.533 -0.410 1
1 217 . 2 1 1 A 20 20 ALA HA H 20 2.604 2.655 -0.051 1
1 221 . 2 1 1 A 20 20 ALA C C 20 178.706 179.791 -1.085 1
1 222 . 2 1 1 A 20 20 ALA CA C 20 54.453 54.578 -0.125 1
1 223 . 2 1 1 A 20 20 ALA CB C 20 18.199 17.947 0.252 1
1 224 . 2 1 1 A 20 20 ALA N N 20 124.691 121.632 3.059 1
1 225 . 2 1 1 A 21 21 LEU H H 21 7.871 7.599 0.272 1
1 226 . 2 1 1 A 21 21 LEU HA H 21 4.008 4.118 -0.110 1
1 236 . 2 1 1 A 21 21 LEU C C 21 179.041 179.061 -0.020 1
1 237 . 2 1 1 A 21 21 LEU CA C 21 58.398 57.925 0.473 1
1 238 . 2 1 1 A 21 21 LEU CB C 21 41.382 40.895 0.487 1
1 242 . 2 1 1 A 21 21 LEU N N 21 116.889 118.373 -1.484 1
1 243 . 2 1 1 A 22 22 ALA H H 22 7.972 8.419 -0.447 1
1 244 . 2 1 1 A 22 22 ALA HA H 22 4.158 4.098 0.060 1
1 248 . 2 1 1 A 22 22 ALA C C 22 179.288 179.557 -0.269 1
1 249 . 2 1 1 A 22 22 ALA CA C 22 55.180 55.077 0.103 1
1 250 . 2 1 1 A 22 22 ALA CB C 22 18.013 18.447 -0.434 1
1 251 . 2 1 1 A 22 22 ALA N N 22 121.219 122.540 -1.321 1
1 252 . 2 1 1 A 23 23 PHE H H 23 7.546 8.149 -0.603 1
1 253 . 2 1 1 A 23 23 PHE HA H 23 4.081 4.128 -0.047 1
1 261 . 2 1 1 A 23 23 PHE C C 23 178.515 176.772 1.743 1
1 262 . 2 1 1 A 23 23 PHE CA C 23 61.520 61.372 0.148 1
1 263 . 2 1 1 A 23 23 PHE CB C 23 40.296 39.203 1.093 1
1 269 . 2 1 1 A 23 23 PHE N N 23 119.034 119.543 -0.509 1
1 270 . 2 1 1 A 24 24 MET H H 24 7.595 8.128 -0.533 1
1 271 . 2 1 1 A 24 24 MET HA H 24 3.768 3.879 -0.111 1
1 279 . 2 1 1 A 24 24 MET C C 24 176.037 178.440 -2.403 1
1 280 . 2 1 1 A 24 24 MET CA C 24 59.901 59.315 0.586 1
1 281 . 2 1 1 A 24 24 MET CB C 24 34.008 33.121 0.887 1
1 284 . 2 1 1 A 24 24 MET N N 24 118.377 116.273 2.104 1
1 285 . 2 1 1 A 25 25 LYS H H 25 8.131 8.032 0.099 1
1 286 . 2 1 1 A 25 25 LYS HA H 25 3.747 4.037 -0.290 1
1 295 . 2 1 1 A 25 25 LYS C C 25 178.865 178.609 0.256 1
1 296 . 2 1 1 A 25 25 LYS CA C 25 59.994 59.438 0.556 1
1 297 . 2 1 1 A 25 25 LYS CB C 25 32.365 32.237 0.128 1
1 301 . 2 1 1 A 25 25 LYS N N 25 121.901 120.128 1.773 1
1 302 . 2 1 1 A 26 26 VAL H H 26 7.986 8.002 -0.016 1
1 303 . 2 1 1 A 26 26 VAL HA H 26 3.515 3.457 0.058 1
1 311 . 2 1 1 A 26 26 VAL C C 26 178.654 177.999 0.655 1
1 312 . 2 1 1 A 26 26 VAL CA C 26 66.337 66.629 -0.292 1
1 313 . 2 1 1 A 26 26 VAL CB C 26 31.302 31.466 -0.164 1
1 316 . 2 1 1 A 26 26 VAL N N 26 119.393 119.697 -0.304 1
1 317 . 2 1 1 A 27 27 MET H H 27 7.232 8.074 -0.842 1
1 318 . 2 1 1 A 27 27 MET HA H 27 3.586 4.028 -0.442 1
1 326 . 2 1 1 A 27 27 MET C C 27 177.564 178.439 -0.875 1
1 327 . 2 1 1 A 27 27 MET CA C 27 59.113 58.510 0.603 1
1 328 . 2 1 1 A 27 27 MET CB C 27 34.025 32.190 1.835 1
1 331 . 2 1 1 A 27 27 MET N N 27 119.647 118.850 0.797 1
1 332 . 2 1 1 A 28 28 LEU H H 28 8.201 8.074 0.127 1
1 333 . 2 1 1 A 28 28 LEU HA H 28 3.733 4.084 -0.351 1
1 343 . 2 1 1 A 28 28 LEU C C 28 178.075 178.706 -0.631 1
1 344 . 2 1 1 A 28 28 LEU CA C 28 57.980 57.971 0.009 1
1 345 . 2 1 1 A 28 28 LEU CB C 28 41.151 41.564 -0.413 1
1 349 . 2 1 1 A 28 28 LEU N N 28 118.420 123.416 -4.996 1
1 350 . 2 1 1 A 29 29 ASN H H 29 7.579 8.493 -0.914 1
1 351 . 2 1 1 A 29 29 ASN HA H 29 4.512 4.721 -0.209 1
1 356 . 2 1 1 A 29 29 ASN C C 29 176.087 176.802 -0.715 1
1 357 . 2 1 1 A 29 29 ASN CA C 29 54.286 55.136 -0.850 1
1 358 . 2 1 1 A 29 29 ASN CB C 29 38.984 37.920 1.064 1
1 359 . 2 1 1 A 29 29 ASN N N 29 112.254 116.797 -4.543 1
1 361 . 2 1 1 A 30 30 ARG H H 30 7.621 7.560 0.061 1
1 362 . 2 1 1 A 30 30 ARG HA H 30 4.169 3.995 0.174 1
1 369 . 2 1 1 A 30 30 ARG C C 30 175.926 175.473 0.453 1
1 370 . 2 1 1 A 30 30 ARG CA C 30 57.482 57.650 -0.168 1
1 371 . 2 1 1 A 30 30 ARG CB C 30 30.404 30.392 0.012 1
1 374 . 2 1 1 A 30 30 ARG N N 30 118.878 118.871 0.007 1
1 375 . 2 1 1 A 31 31 TYR H H 31 7.287 7.588 -0.301 1
1 376 . 2 1 1 A 31 31 TYR HA H 31 4.690 5.090 -0.400 1
1 383 . 2 1 1 A 31 31 TYR C C 31 174.348 175.573 -1.225 1
1 384 . 2 1 1 A 31 31 TYR CA C 31 58.118 57.208 0.910 1
1 385 . 2 1 1 A 31 31 TYR CB C 31 43.045 40.918 2.127 1
1 390 . 2 1 1 A 31 31 TYR N N 31 118.414 116.881 1.533 1
1 391 . 2 1 1 A 32 32 ARG H H 32 9.314 8.345 0.969 1
1 392 . 2 1 1 A 32 32 ARG HA H 32 4.913 4.758 0.155 1
1 399 . 2 1 1 A 32 32 ARG C C 32 173.525 174.318 -0.793 1
1 400 . 2 1 1 A 32 32 ARG CA C 32 52.775 53.845 -1.070 1
1 401 . 2 1 1 A 32 32 ARG CB C 32 30.292 29.864 0.428 1
1 404 . 2 1 1 A 32 32 ARG N N 32 121.876 122.567 -0.691 1
1 405 . 2 1 1 A 33 33 PRO HA H 33 3.870 4.786 -0.916 1
1 412 . 2 1 1 A 33 33 PRO C C 33 177.517 177.283 0.234 1
1 413 . 2 1 1 A 33 33 PRO CA C 33 64.332 62.955 1.377 1
1 414 . 2 1 1 A 33 33 PRO CB C 33 31.655 29.767 1.888 1
1 417 . 2 1 1 A 34 34 GLY H H 34 9.584 8.747 0.837 1
1 418 . 2 1 1 A 34 34 GLY HA2 H 34 4.422 4.054 0.368 1
1 419 . 2 1 1 A 34 34 GLY HA3 H 34 3.725 4.068 -0.343 1
1 420 . 2 1 1 A 34 34 GLY C C 34 174.605 174.239 0.366 1
1 421 . 2 1 1 A 34 34 GLY CA C 34 44.745 45.184 -0.439 1
1 422 . 2 1 1 A 34 34 GLY N N 34 115.669 112.685 2.984 1
1 423 . 2 1 1 A 35 35 ASP H H 35 8.252 8.177 0.075 1
1 424 . 2 1 1 A 35 35 ASP HA H 35 4.691 4.872 -0.181 1
1 427 . 2 1 1 A 35 35 ASP C C 35 175.279 175.638 -0.359 1
1 428 . 2 1 1 A 35 35 ASP CA C 35 55.195 53.724 1.471 1
1 429 . 2 1 1 A 35 35 ASP CB C 35 42.301 42.235 0.066 1
1 430 . 2 1 1 A 35 35 ASP N N 35 122.076 120.451 1.625 1
1 431 . 2 1 1 A 36 36 ILE H H 36 8.194 8.482 -0.288 1
1 432 . 2 1 1 A 36 36 ILE HA H 36 4.546 4.601 -0.055 1
1 442 . 2 1 1 A 36 36 ILE C C 36 176.709 176.223 0.486 1
1 443 . 2 1 1 A 36 36 ILE CA C 36 59.572 60.013 -0.441 1
1 444 . 2 1 1 A 36 36 ILE CB C 36 37.870 37.949 -0.079 1
1 448 . 2 1 1 A 36 36 ILE N N 36 120.260 123.144 -2.884 1
1 449 . 2 1 1 A 37 37 VAL H H 37 7.963 8.778 -0.815 1
1 450 . 2 1 1 A 37 37 VAL HA H 37 3.671 3.094 0.577 1
1 458 . 2 1 1 A 37 37 VAL C C 37 176.530 176.245 0.285 1
1 459 . 2 1 1 A 37 37 VAL CA C 37 62.969 62.906 0.063 1
1 460 . 2 1 1 A 37 37 VAL CB C 37 32.201 31.675 0.526 1
1 463 . 2 1 1 A 37 37 VAL N N 37 126.533 128.107 -1.574 1
1 464 . 2 1 1 A 38 38 SER H H 38 8.852 8.480 0.372 1
1 465 . 2 1 1 A 38 38 SER HA H 38 4.600 4.498 0.102 1
1 468 . 2 1 1 A 38 38 SER C C 38 174.950 175.717 -0.767 1
1 469 . 2 1 1 A 38 38 SER CA C 38 58.147 58.934 -0.787 1
1 470 . 2 1 1 A 38 38 SER CB C 38 65.224 64.267 0.957 1
1 471 . 2 1 1 A 38 38 SER N N 38 122.752 122.178 0.574 1
1 472 . 2 1 1 A 39 39 THR H H 39 8.870 8.821 0.049 1
1 473 . 2 1 1 A 39 39 THR HA H 39 4.153 4.020 0.133 1
1 478 . 2 1 1 A 39 39 THR C C 39 177.855 176.029 1.826 1
1 479 . 2 1 1 A 39 39 THR CA C 39 66.299 66.939 -0.640 1
1 480 . 2 1 1 A 39 39 THR CB C 39 68.559 68.962 -0.403 1
1 482 . 2 1 1 A 39 39 THR N N 39 116.391 118.305 -1.914 1
1 483 . 2 1 1 A 40 40 VAL H H 40 8.018 8.141 -0.123 1
1 484 . 2 1 1 A 40 40 VAL HA H 40 4.028 3.621 0.407 1
1 492 . 2 1 1 A 40 40 VAL C C 40 178.339 177.154 1.185 1
1 493 . 2 1 1 A 40 40 VAL CA C 40 65.776 66.839 -1.063 1
1 494 . 2 1 1 A 40 40 VAL CB C 40 32.139 31.295 0.844 1
1 497 . 2 1 1 A 40 40 VAL N N 40 121.035 121.711 -0.676 1
1 498 . 2 1 1 A 41 41 ASP H H 41 7.610 8.813 -1.203 1
1 499 . 2 1 1 A 41 41 ASP HA H 41 4.570 4.453 0.117 1
1 502 . 2 1 1 A 41 41 ASP C C 41 178.746 179.919 -1.173 1
1 503 . 2 1 1 A 41 41 ASP CA C 41 57.492 57.040 0.452 1
1 504 . 2 1 1 A 41 41 ASP CB C 41 39.740 40.123 -0.383 1
1 505 . 2 1 1 A 41 41 ASP N N 41 124.108 119.710 4.398 1
1 506 . 2 1 1 A 42 42 GLY H H 42 9.363 8.739 0.624 1
1 507 . 2 1 1 A 42 42 GLY HA2 H 42 4.186 3.622 0.564 1
1 508 . 2 1 1 A 42 42 GLY HA3 H 42 3.584 3.935 -0.351 1
1 509 . 2 1 1 A 42 42 GLY C C 42 175.329 176.124 -0.795 1
1 510 . 2 1 1 A 42 42 GLY CA C 42 46.944 47.173 -0.229 1
1 511 . 2 1 1 A 42 42 GLY N N 42 109.572 109.277 0.295 1
1 512 . 2 1 1 A 43 43 ALA H H 43 7.949 8.248 -0.299 1
1 513 . 2 1 1 A 43 43 ALA HA H 43 4.240 4.084 0.156 1
1 517 . 2 1 1 A 43 43 ALA C C 43 180.375 179.774 0.601 1
1 518 . 2 1 1 A 43 43 ALA CA C 43 54.897 54.746 0.151 1
1 519 . 2 1 1 A 43 43 ALA CB C 43 17.895 18.206 -0.311 1
1 520 . 2 1 1 A 43 43 ALA N N 43 123.561 124.611 -1.050 1
1 521 . 2 1 1 A 44 44 PHE H H 44 7.337 7.945 -0.608 1
1 522 . 2 1 1 A 44 44 PHE HA H 44 3.957 4.260 -0.303 1
1 530 . 2 1 1 A 44 44 PHE C C 44 177.252 176.822 0.430 1
1 531 . 2 1 1 A 44 44 PHE CA C 44 61.508 61.344 0.164 1
1 532 . 2 1 1 A 44 44 PHE CB C 44 38.993 39.103 -0.110 1
1 538 . 2 1 1 A 44 44 PHE N N 44 118.542 120.290 -1.748 1
1 539 . 2 1 1 A 45 45 LEU H H 45 8.301 8.247 0.054 1
1 540 . 2 1 1 A 45 45 LEU HA H 45 3.741 3.611 0.130 1
1 550 . 2 1 1 A 45 45 LEU C C 45 178.847 178.676 0.171 1
1 551 . 2 1 1 A 45 45 LEU CA C 45 57.643 57.644 -0.001 1
1 552 . 2 1 1 A 45 45 LEU CB C 45 41.274 40.771 0.503 1
1 556 . 2 1 1 A 45 45 LEU N N 45 119.345 119.566 -0.221 1
1 557 . 2 1 1 A 46 46 VAL H H 46 8.562 8.126 0.436 1
1 558 . 2 1 1 A 46 46 VAL HA H 46 3.759 3.510 0.249 1
1 566 . 2 1 1 A 46 46 VAL C C 46 177.077 177.523 -0.446 1
1 567 . 2 1 1 A 46 46 VAL CA C 46 67.081 66.856 0.225 1
1 568 . 2 1 1 A 46 46 VAL CB C 46 31.639 31.184 0.455 1
1 571 . 2 1 1 A 46 46 VAL N N 46 118.458 118.896 -0.438 1
1 572 . 2 1 1 A 47 47 GLU H H 47 6.896 7.907 -1.011 1
1 573 . 2 1 1 A 47 47 GLU HA H 47 4.019 3.968 0.051 1
1 578 . 2 1 1 A 47 47 GLU C C 47 179.738 178.853 0.885 1
1 579 . 2 1 1 A 47 47 GLU CA C 47 58.582 59.184 -0.602 1
1 580 . 2 1 1 A 47 47 GLU CB C 47 29.029 29.507 -0.478 1
1 582 . 2 1 1 A 47 47 GLU N N 47 117.916 119.498 -1.582 1
1 583 . 2 1 1 A 48 48 ALA H H 48 8.310 7.932 0.378 1
1 584 . 2 1 1 A 48 48 ALA HA H 48 3.761 3.993 -0.232 1
1 588 . 2 1 1 A 48 48 ALA C C 48 179.636 179.034 0.602 1
1 589 . 2 1 1 A 48 48 ALA CA C 48 55.769 54.859 0.910 1
1 590 . 2 1 1 A 48 48 ALA CB C 48 17.370 18.415 -1.045 1
1 591 . 2 1 1 A 48 48 ALA N N 48 123.600 122.256 1.344 1
1 592 . 2 1 1 A 49 49 LEU H H 49 8.724 8.024 0.700 1
1 593 . 2 1 1 A 49 49 LEU HA H 49 3.924 3.861 0.063 1
1 603 . 2 1 1 A 49 49 LEU C C 49 178.188 178.862 -0.674 1
1 604 . 2 1 1 A 49 49 LEU CA C 49 57.387 57.207 0.180 1
1 605 . 2 1 1 A 49 49 LEU CB C 49 41.780 41.289 0.491 1
1 609 . 2 1 1 A 49 49 LEU N N 49 119.812 119.794 0.018 1
1 610 . 2 1 1 A 50 50 LYS H H 50 7.421 8.293 -0.872 1
1 611 . 2 1 1 A 50 50 LYS HA H 50 3.856 4.233 -0.377 1
1 620 . 2 1 1 A 50 50 LYS C C 50 177.592 178.064 -0.472 1
1 621 . 2 1 1 A 50 50 LYS CA C 50 59.345 58.552 0.793 1
1 622 . 2 1 1 A 50 50 LYS CB C 50 32.757 32.221 0.536 1
1 626 . 2 1 1 A 50 50 LYS N N 50 115.568 118.465 -2.897 1
1 627 . 2 1 1 A 51 51 ARG H H 51 7.787 7.385 0.402 1
1 628 . 2 1 1 A 51 51 ARG HA H 51 4.356 4.237 0.119 1
1 635 . 2 1 1 A 51 51 ARG C C 51 176.424 176.069 0.355 1
1 636 . 2 1 1 A 51 51 ARG CA C 51 55.690 56.937 -1.247 1
1 637 . 2 1 1 A 51 51 ARG CB C 51 30.227 30.495 -0.268 1
1 640 . 2 1 1 A 51 51 ARG N N 51 115.686 116.688 -1.002 1
1 641 . 2 1 1 A 52 52 HIS H H 52 8.159 7.716 0.443 1
1 642 . 2 1 1 A 52 52 HIS HA H 52 4.512 4.748 -0.236 1
1 646 . 2 1 1 A 52 52 HIS C C 52 175.409 175.285 0.124 1
1 647 . 2 1 1 A 52 52 HIS CA C 52 56.087 54.527 1.560 1
1 648 . 2 1 1 A 52 52 HIS CB C 52 32.904 30.704 2.200 1
1 650 . 2 1 1 A 52 52 HIS N N 52 125.025 118.465 6.560 1
1 651 . 2 1 1 A 53 53 PRO HA H 53 4.341 4.311 0.030 1
1 658 . 2 1 1 A 53 53 PRO CA C 53 65.210 65.022 0.188 1
1 659 . 2 1 1 A 53 53 PRO CB C 53 31.791 31.824 -0.033 1
1 662 . 2 1 1 A 54 54 ASP H H 54 8.058 8.671 -0.613 1
1 663 . 2 1 1 A 54 54 ASP HA H 54 5.184 4.798 0.386 1
1 666 . 2 1 1 A 54 54 ASP C C 54 176.079 176.469 -0.390 1
1 667 . 2 1 1 A 54 54 ASP CA C 54 52.778 54.030 -1.252 1
1 668 . 2 1 1 A 54 54 ASP CB C 54 41.573 41.452 0.121 1
1 669 . 2 1 1 A 55 55 ALA H H 55 7.731 7.918 -0.187 1
1 670 . 2 1 1 A 55 55 ALA HA H 55 3.589 3.985 -0.396 1
1 674 . 2 1 1 A 55 55 ALA C C 55 178.550 179.880 -1.330 1
1 675 . 2 1 1 A 55 55 ALA CA C 55 57.024 55.116 1.908 1
1 676 . 2 1 1 A 55 55 ALA CB C 55 20.320 18.567 1.753 1
1 677 . 2 1 1 A 55 55 ALA N N 55 122.261 123.049 -0.788 1
1 678 . 2 1 1 A 56 56 THR H H 56 8.405 8.129 0.276 1
1 679 . 2 1 1 A 56 56 THR HA H 56 3.804 3.951 -0.147 1
1 684 . 2 1 1 A 56 56 THR C C 56 177.743 176.574 1.169 1
1 685 . 2 1 1 A 56 56 THR CA C 56 67.024 65.307 1.717 1
1 686 . 2 1 1 A 56 56 THR CB C 56 68.257 68.924 -0.667 1
1 688 . 2 1 1 A 56 56 THR N N 56 110.600 113.072 -2.472 1
1 689 . 2 1 1 A 57 57 SER H H 57 7.907 8.276 -0.369 1
1 690 . 2 1 1 A 57 57 SER HA H 57 4.251 4.084 0.167 1
1 693 . 2 1 1 A 57 57 SER C C 57 176.547 175.754 0.793 1
1 694 . 2 1 1 A 57 57 SER CA C 57 60.395 61.086 -0.691 1
1 695 . 2 1 1 A 57 57 SER CB C 57 62.766 63.052 -0.286 1
1 696 . 2 1 1 A 57 57 SER N N 57 117.623 116.170 1.453 1
1 697 . 2 1 1 A 58 58 LYS H H 58 8.180 7.798 0.382 1
1 698 . 2 1 1 A 58 58 LYS HA H 58 3.687 4.389 -0.702 1
1 707 . 2 1 1 A 58 58 LYS C C 58 178.074 178.437 -0.363 1
1 708 . 2 1 1 A 58 58 LYS CA C 58 58.090 56.793 1.297 1
1 709 . 2 1 1 A 58 58 LYS CB C 58 32.328 33.074 -0.746 1
1 713 . 2 1 1 A 58 58 LYS N N 58 120.772 119.453 1.319 1
1 714 . 2 1 1 A 59 59 ILE H H 59 8.407 8.092 0.315 1
1 715 . 2 1 1 A 59 59 ILE HA H 59 3.336 3.842 -0.506 1
1 725 . 2 1 1 A 59 59 ILE C C 59 176.705 176.936 -0.231 1
1 726 . 2 1 1 A 59 59 ILE CA C 59 64.224 63.217 1.007 1
1 727 . 2 1 1 A 59 59 ILE CB C 59 38.989 38.542 0.447 1
1 731 . 2 1 1 A 59 59 ILE N N 59 119.024 118.090 0.934 1
1 732 . 2 1 1 A 60 60 GLY H H 60 7.360 8.137 -0.777 1
1 733 . 2 1 1 A 60 60 GLY HA2 H 60 3.884 3.938 -0.054 1
1 734 . 2 1 1 A 60 60 GLY HA3 H 60 3.614 3.942 -0.328 1
1 735 . 2 1 1 A 60 60 GLY C C 60 173.964 174.576 -0.612 1
1 736 . 2 1 1 A 60 60 GLY CA C 60 44.586 45.559 -0.973 1
1 737 . 2 1 1 A 60 60 GLY N N 60 106.081 109.718 -3.637 1
1 738 . 2 1 1 A 61 61 PRO HA H 61 4.486 4.404 0.082 1
1 745 . 2 1 1 A 61 61 PRO C C 61 175.603 176.386 -0.783 1
1 746 . 2 1 1 A 61 61 PRO CA C 61 63.473 64.999 -1.526 1
1 747 . 2 1 1 A 61 61 PRO CB C 61 31.981 32.122 -0.141 1
1 750 . 2 1 1 A 62 62 GLY H H 62 7.835 7.273 0.562 1
1 751 . 2 1 1 A 62 62 GLY HA2 H 62 4.378 4.014 0.364 1
1 752 . 2 1 1 A 62 62 GLY HA3 H 62 3.416 4.019 -0.603 1
1 753 . 2 1 1 A 62 62 GLY C C 62 172.596 171.497 1.099 1
1 754 . 2 1 1 A 62 62 GLY CA C 62 44.498 45.547 -1.049 1
1 755 . 2 1 1 A 62 62 GLY N N 62 110.214 102.382 7.832 1
1 756 . 2 1 1 A 63 63 VAL H H 63 8.646 8.765 -0.119 1
1 757 . 2 1 1 A 63 63 VAL HA H 63 3.668 4.150 -0.482 1
1 765 . 2 1 1 A 63 63 VAL C C 63 175.808 175.813 -0.005 1
1 766 . 2 1 1 A 63 63 VAL CA C 63 63.681 62.148 1.533 1
1 767 . 2 1 1 A 63 63 VAL CB C 63 32.863 31.798 1.065 1
1 770 . 2 1 1 A 63 63 VAL N N 63 122.735 120.982 1.753 1
1 771 . 2 1 1 A 64 64 ARG H H 64 9.524 8.769 0.755 1
1 772 . 2 1 1 A 64 64 ARG HA H 64 4.254 4.345 -0.091 1
1 779 . 2 1 1 A 64 64 ARG C C 64 175.574 175.980 -0.406 1
1 780 . 2 1 1 A 64 64 ARG CA C 64 57.310 57.203 0.107 1
1 781 . 2 1 1 A 64 64 ARG CB C 64 31.928 31.221 0.707 1
1 784 . 2 1 1 A 64 64 ARG N N 64 129.782 128.839 0.943 1
1 785 . 2 1 1 A 65 65 ASN H H 65 8.089 7.519 0.570 1
1 786 . 2 1 1 A 65 65 ASN HA H 65 4.662 5.064 -0.402 1
1 791 . 2 1 1 A 65 65 ASN C C 65 171.753 172.714 -0.961 1
1 792 . 2 1 1 A 65 65 ASN CA C 65 53.279 52.035 1.244 1
1 793 . 2 1 1 A 65 65 ASN CB C 65 43.717 42.211 1.506 1
1 794 . 2 1 1 A 65 65 ASN N N 65 114.163 112.723 1.440 1
1 796 . 2 1 1 A 66 66 PHE H H 66 9.064 9.002 0.062 1
1 797 . 2 1 1 A 66 66 PHE HA H 66 5.738 5.315 0.423 1
1 805 . 2 1 1 A 66 66 PHE C C 66 174.834 174.747 0.087 1
1 806 . 2 1 1 A 66 66 PHE CA C 66 56.578 56.817 -0.239 1
1 807 . 2 1 1 A 66 66 PHE CB C 66 41.888 41.522 0.366 1
1 813 . 2 1 1 A 66 66 PHE N N 66 114.774 120.108 -5.334 1
1 814 . 2 1 1 A 67 67 GLU H H 67 9.328 9.580 -0.252 1
1 815 . 2 1 1 A 67 67 GLU HA H 67 5.307 5.150 0.157 1
1 820 . 2 1 1 A 67 67 GLU C C 67 174.999 175.324 -0.325 1
1 821 . 2 1 1 A 67 67 GLU CA C 67 54.003 54.753 -0.750 1
1 822 . 2 1 1 A 67 67 GLU CB C 67 35.678 33.479 2.199 1
1 824 . 2 1 1 A 67 67 GLU N N 67 122.005 122.000 0.005 1
1 825 . 2 1 1 A 68 68 VAL H H 68 8.598 8.656 -0.058 1
1 826 . 2 1 1 A 68 68 VAL HA H 68 4.859 4.625 0.234 1
1 834 . 2 1 1 A 68 68 VAL C C 68 175.361 174.909 0.452 1
1 835 . 2 1 1 A 68 68 VAL CA C 68 62.102 61.884 0.218 1
1 836 . 2 1 1 A 68 68 VAL CB C 68 32.865 32.369 0.496 1
1 839 . 2 1 1 A 68 68 VAL N N 68 124.692 126.862 -2.170 1
1 840 . 2 1 1 A 69 69 ARG H H 69 8.896 8.931 -0.035 1
1 841 . 2 1 1 A 69 69 ARG HA H 69 4.888 5.021 -0.133 1
1 848 . 2 1 1 A 69 69 ARG C C 69 175.469 174.792 0.677 1
1 849 . 2 1 1 A 69 69 ARG CA C 69 54.384 53.873 0.511 1
1 850 . 2 1 1 A 69 69 ARG CB C 69 34.979 33.825 1.154 1
1 853 . 2 1 1 A 69 69 ARG N N 69 123.599 129.392 -5.793 1
1 854 . 2 1 1 A 70 70 SER H H 70 8.758 8.998 -0.240 1
1 855 . 2 1 1 A 70 70 SER HA H 70 4.511 4.481 0.030 1
1 858 . 2 1 1 A 70 70 SER C C 70 173.488 175.109 -1.621 1
1 859 . 2 1 1 A 70 70 SER CA C 70 59.858 59.419 0.439 1
1 860 . 2 1 1 A 70 70 SER CB C 70 63.927 63.174 0.753 1
1 861 . 2 1 1 A 70 70 SER N N 70 116.239 121.137 -4.898 1
1 862 . 2 1 1 A 71 71 ALA H H 71 8.456 8.708 -0.252 1
1 863 . 2 1 1 A 71 71 ALA HA H 71 4.688 4.622 0.066 1
1 867 . 2 1 1 A 71 71 ALA C C 71 176.054 176.417 -0.363 1
1 868 . 2 1 1 A 71 71 ALA CA C 71 51.016 51.691 -0.675 1
1 869 . 2 1 1 A 71 71 ALA CB C 71 20.324 20.330 -0.006 1
1 870 . 2 1 1 A 71 71 ALA N N 71 128.999 127.752 1.247 1
1 871 . 2 1 1 A 72 72 ASP H H 72 7.968 7.760 0.208 1
1 872 . 2 1 1 A 72 72 ASP HA H 72 4.361 4.718 -0.357 1
1 875 . 2 1 1 A 72 72 ASP C C 72 176.444 174.848 1.596 1
1 876 . 2 1 1 A 72 72 ASP CA C 72 54.732 53.086 1.646 1
1 877 . 2 1 1 A 72 72 ASP CB C 72 41.060 44.235 -3.175 1
1 878 . 2 1 1 A 72 72 ASP N N 72 118.176 117.735 0.441 1
1 879 . 2 1 1 A 73 73 TYR H H 73 8.768 8.963 -0.195 1
1 880 . 2 1 1 A 73 73 TYR HA H 73 4.309 4.167 0.142 1
1 887 . 2 1 1 A 73 73 TYR C C 73 176.601 177.407 -0.806 1
1 888 . 2 1 1 A 73 73 TYR CA C 73 58.799 60.520 -1.721 1
1 889 . 2 1 1 A 73 73 TYR CB C 73 36.239 37.676 -1.437 1
1 894 . 2 1 1 A 73 73 TYR N N 73 117.846 122.712 -4.866 1
1 895 . 2 1 1 A 74 74 GLY H H 74 8.533 7.699 0.834 1
1 896 . 2 1 1 A 74 74 GLY HA2 H 74 4.069 4.089 -0.020 1
1 897 . 2 1 1 A 74 74 GLY HA3 H 74 3.844 4.100 -0.256 1
1 898 . 2 1 1 A 74 74 GLY C C 74 175.060 173.900 1.160 1
1 899 . 2 1 1 A 74 74 GLY CA C 74 46.117 45.532 0.585 1
1 900 . 2 1 1 A 74 74 GLY N N 74 108.255 107.074 1.181 1
1 901 . 2 1 1 A 75 75 THR H H 75 7.534 7.637 -0.103 1
1 902 . 2 1 1 A 75 75 THR HA H 75 4.687 5.047 -0.360 1
1 907 . 2 1 1 A 75 75 THR C C 75 173.779 173.382 0.397 1
1 908 . 2 1 1 A 75 75 THR CA C 75 61.115 59.385 1.730 1
1 909 . 2 1 1 A 75 75 THR CB C 75 71.585 71.841 -0.256 1
1 911 . 2 1 1 A 75 75 THR N N 75 111.431 111.859 -0.428 1
1 912 . 2 1 1 A 76 76 GLN H H 76 8.590 8.590 0.000 1
1 913 . 2 1 1 A 76 76 GLN HA H 76 5.238 4.988 0.250 1
1 920 . 2 1 1 A 76 76 GLN C C 76 173.605 174.357 -0.752 1
1 921 . 2 1 1 A 76 76 GLN CA C 76 54.556 54.211 0.345 1
1 922 . 2 1 1 A 76 76 GLN CB C 76 31.657 31.524 0.133 1
1 924 . 2 1 1 A 76 76 GLN N N 76 117.495 120.163 -2.668 1
1 926 . 2 1 1 A 77 77 CYS H H 77 9.058 8.752 0.306 1
1 927 . 2 1 1 A 77 77 CYS HA H 77 4.780 4.908 -0.128 1
1 930 . 2 1 1 A 77 77 CYS C C 77 172.371 173.367 -0.996 1
1 931 . 2 1 1 A 77 77 CYS CA C 77 56.886 57.657 -0.771 1
1 932 . 2 1 1 A 77 77 CYS CB C 77 31.492 31.022 0.470 1
1 933 . 2 1 1 A 77 77 CYS N N 77 114.572 119.404 -4.832 1
1 934 . 2 1 1 A 78 78 PHE H H 78 8.872 8.848 0.024 1
1 935 . 2 1 1 A 78 78 PHE HA H 78 5.419 5.100 0.319 1
1 943 . 2 1 1 A 78 78 PHE CA C 78 58.466 56.457 2.009 1
1 944 . 2 1 1 A 78 78 PHE CB C 78 42.360 39.362 2.998 1
1 950 . 2 1 1 A 78 78 PHE N N 78 120.396 123.474 -3.078 1
1 951 . 2 1 1 A 79 79 TRP H H 79 10.003 9.524 0.479 1
1 952 . 2 1 1 A 79 79 TRP HA H 79 4.907 5.220 -0.313 1
1 961 . 2 1 1 A 79 79 TRP CA C 79 57.535 56.136 1.399 1
1 962 . 2 1 1 A 79 79 TRP CB C 79 30.788 31.559 -0.771 1
1 968 . 2 1 1 A 79 79 TRP N N 79 120.993 124.020 -3.027 1
1 970 . 2 1 1 A 80 80 ILE H H 80 9.669 9.617 0.052 1
1 971 . 2 1 1 A 80 80 ILE HA H 80 3.773 4.512 -0.739 1
1 981 . 2 1 1 A 80 80 ILE C C 80 174.675 174.945 -0.270 1
1 982 . 2 1 1 A 80 80 ILE CA C 80 61.505 60.169 1.336 1
1 983 . 2 1 1 A 80 80 ILE CB C 80 40.765 38.241 2.524 1
1 987 . 2 1 1 A 80 80 ILE N N 80 122.205 124.037 -1.832 1
1 988 . 2 1 1 A 81 81 LEU H H 81 8.489 8.989 -0.500 1
1 989 . 2 1 1 A 81 81 LEU HA H 81 5.037 4.735 0.302 1
1 999 . 2 1 1 A 81 81 LEU C C 81 177.301 176.031 1.270 1
1 1000 . 2 1 1 A 81 81 LEU CA C 81 53.483 54.282 -0.799 1
1 1001 . 2 1 1 A 81 81 LEU CB C 81 40.344 41.078 -0.734 1
1 1005 . 2 1 1 A 81 81 LEU N N 81 127.849 129.026 -1.177 1
1 1006 . 2 1 1 A 82 82 ARG H H 82 8.980 8.812 0.168 1
1 1007 . 2 1 1 A 82 82 ARG HA H 82 5.127 4.331 0.796 1
1 1014 . 2 1 1 A 82 82 ARG C C 82 179.527 177.677 1.850 1
1 1015 . 2 1 1 A 82 82 ARG CA C 82 57.410 55.930 1.480 1
1 1016 . 2 1 1 A 82 82 ARG CB C 82 31.995 30.891 1.104 1
1 1019 . 2 1 1 A 82 82 ARG N N 82 121.829 124.975 -3.146 1
1 1020 . 2 1 1 A 83 83 THR H H 83 8.427 9.007 -0.580 1
1 1021 . 2 1 1 A 83 83 THR HA H 83 3.823 3.955 -0.132 1
1 1026 . 2 1 1 A 83 83 THR C C 83 174.540 176.394 -1.854 1
1 1027 . 2 1 1 A 83 83 THR CA C 83 64.441 65.222 -0.781 1
1 1028 . 2 1 1 A 83 83 THR CB C 83 67.987 68.304 -0.317 1
1 1030 . 2 1 1 A 83 83 THR N N 83 111.631 117.142 -5.511 1
1 1031 . 2 1 1 A 84 84 ASP H H 84 7.431 7.879 -0.448 1
1 1032 . 2 1 1 A 84 84 ASP HA H 84 4.706 4.584 0.122 1
1 1035 . 2 1 1 A 84 84 ASP C C 84 177.092 176.237 0.855 1
1 1036 . 2 1 1 A 84 84 ASP CA C 84 52.983 54.828 -1.845 1
1 1037 . 2 1 1 A 84 84 ASP CB C 84 40.502 41.174 -0.672 1
1 1038 . 2 1 1 A 84 84 ASP N N 84 117.630 121.039 -3.409 1
1 1039 . 2 1 1 A 85 85 GLY H H 85 7.924 8.060 -0.136 1
1 1040 . 2 1 1 A 85 85 GLY HA2 H 85 3.741 3.925 -0.184 1
1 1041 . 2 1 1 A 85 85 GLY HA3 H 85 4.364 3.928 0.436 1
1 1042 . 2 1 1 A 85 85 GLY C C 85 174.007 174.241 -0.234 1
1 1043 . 2 1 1 A 85 85 GLY CA C 85 45.370 45.064 0.306 1
1 1044 . 2 1 1 A 85 85 GLY N N 85 108.078 108.109 -0.031 1
1 1045 . 2 1 1 A 86 86 SER H H 86 8.009 7.938 0.071 1
1 1046 . 2 1 1 A 86 86 SER HA H 86 4.563 4.693 -0.130 1
1 1049 . 2 1 1 A 86 86 SER C C 86 172.835 173.853 -1.018 1
1 1050 . 2 1 1 A 86 86 SER CA C 86 58.731 57.891 0.840 1
1 1051 . 2 1 1 A 86 86 SER CB C 86 64.803 65.608 -0.805 1
1 1052 . 2 1 1 A 86 86 SER N N 86 117.029 115.498 1.531 1
1 1053 . 2 1 1 A 87 87 GLU H H 87 8.593 8.995 -0.402 1
1 1054 . 2 1 1 A 87 87 GLU HA H 87 5.921 5.675 0.246 1
1 1059 . 2 1 1 A 87 87 GLU C C 87 175.873 175.086 0.787 1
1 1060 . 2 1 1 A 87 87 GLU CA C 87 54.343 54.826 -0.483 1
1 1061 . 2 1 1 A 87 87 GLU CB C 87 33.925 33.225 0.700 1
1 1063 . 2 1 1 A 87 87 GLU N N 87 116.585 118.141 -1.556 1
1 1064 . 2 1 1 A 88 88 GLU HA H 88 4.496 4.813 -0.317 1
1 1069 . 2 1 1 A 88 88 GLU CA C 88 55.840 55.770 0.070 1
1 1070 . 2 1 1 A 88 88 GLU CB C 88 34.310 34.198 0.112 1
1 1072 . 2 1 1 A 89 89 ARG H H 89 8.013 8.359 -0.346 1
1 1073 . 2 1 1 A 89 89 ARG HA H 89 3.184 4.892 -1.708 1
1 1080 . 2 1 1 A 89 89 ARG CA C 89 56.576 55.211 1.365 1
1 1081 . 2 1 1 A 89 89 ARG CB C 89 30.462 31.316 -0.854 1
1 1084 . 2 1 1 A 89 89 ARG N N 89 127.945 123.989 3.956 1
1 1085 . 2 1 1 A 90 90 PHE HA H 90 5.021 5.504 -0.483 1
1 1093 . 2 1 1 A 90 90 PHE CA C 90 55.089 55.304 -0.215 1
1 1094 . 2 1 1 A 90 90 PHE CB C 90 40.446 42.504 -2.058 1
1 1100 . 2 1 1 A 91 91 SER HA H 91 4.639 4.636 0.003 1
1 1103 . 2 1 1 A 91 91 SER CA C 91 56.242 57.487 -1.245 1
1 1104 . 2 1 1 A 91 91 SER CB C 91 62.621 62.474 0.147 1
1 1105 . 2 1 1 A 92 92 TYR HA H 92 4.268 4.466 -0.198 1
1 1112 . 2 1 1 A 92 92 TYR C C 92 176.450 177.155 -0.705 1
1 1113 . 2 1 1 A 92 92 TYR CA C 92 59.575 60.673 -1.098 1
1 1114 . 2 1 1 A 92 92 TYR CB C 92 37.283 37.777 -0.494 1
1 1119 . 2 1 1 A 93 93 LYS H H 93 7.405 7.979 -0.574 1
1 1120 . 2 1 1 A 93 93 LYS HA H 93 3.749 3.988 -0.239 1
1 1129 . 2 1 1 A 93 93 LYS C C 93 177.715 176.953 0.762 1
1 1130 . 2 1 1 A 93 93 LYS CA C 93 58.446 57.949 0.497 1
1 1131 . 2 1 1 A 93 93 LYS CB C 93 31.822 30.997 0.825 1
1 1135 . 2 1 1 A 93 93 LYS N N 93 120.689 118.824 1.865 1
1 1136 . 2 1 1 A 94 94 LYS H H 94 7.405 7.678 -0.273 1
1 1137 . 2 1 1 A 94 94 LYS HA H 94 4.079 4.652 -0.573 1
1 1146 . 2 1 1 A 94 94 LYS C C 94 176.709 176.916 -0.207 1
1 1147 . 2 1 1 A 94 94 LYS CA C 94 56.479 55.275 1.204 1
1 1148 . 2 1 1 A 94 94 LYS CB C 94 32.760 32.476 0.284 1
1 1152 . 2 1 1 A 94 94 LYS N N 94 115.712 118.578 -2.866 1
1 1153 . 2 1 1 A 95 95 CYS H H 95 7.537 7.877 -0.340 1
1 1154 . 2 1 1 A 95 95 CYS HA H 95 3.937 4.144 -0.207 1
1 1157 . 2 1 1 A 95 95 CYS C C 95 173.487 175.886 -2.399 1
1 1158 . 2 1 1 A 95 95 CYS CA C 95 61.795 61.089 0.706 1
1 1159 . 2 1 1 A 95 95 CYS CB C 95 27.546 27.193 0.353 1
1 1160 . 2 1 1 A 95 95 CYS N N 95 115.586 119.374 -3.788 1
1 1161 . 2 1 1 A 96 96 VAL HA H 96 4.154 4.130 0.024 1
1 1169 . 2 1 1 A 96 96 VAL C C 96 175.216 175.306 -0.090 1
1 1170 . 2 1 1 A 96 96 VAL CA C 96 61.916 63.118 -1.202 1
1 1171 . 2 1 1 A 96 96 VAL CB C 96 31.695 32.143 -0.448 1
1 1174 . 2 1 1 A 97 97 LEU H H 97 8.002 7.650 0.352 1
1 1175 . 2 1 1 A 97 97 LEU HA H 97 4.316 4.833 -0.517 1
1 1185 . 2 1 1 A 97 97 LEU C C 97 176.168 175.811 0.357 1
1 1186 . 2 1 1 A 97 97 LEU CA C 97 54.770 53.407 1.363 1
1 1187 . 2 1 1 A 97 97 LEU CB C 97 42.558 46.873 -4.315 1
1 1191 . 2 1 1 A 97 97 LEU N N 97 124.364 118.160 6.204 1
1 1192 . 2 1 1 A 98 98 GLU H H 98 8.345 8.352 -0.007 1
1 1193 . 2 1 1 A 98 98 GLU HA H 98 4.301 4.679 -0.378 1
1 1198 . 2 1 1 A 98 98 GLU C C 98 175.732 175.395 0.337 1
1 1199 . 2 1 1 A 98 98 GLU CA C 98 55.988 55.862 0.126 1
1 1200 . 2 1 1 A 98 98 GLU CB C 98 30.989 31.450 -0.461 1
1 1 . 3 1 1 A 2 2 ALA HA H 2 4.102 4.291 -0.189 1
1 5 . 3 1 1 A 2 2 ALA CA C 2 51.775 51.818 -0.043 1
1 6 . 3 1 1 A 2 2 ALA CB C 2 19.665 18.403 1.262 1
1 7 . 3 1 1 A 3 3 LYS HA H 3 4.329 4.747 -0.418 1
1 15 . 3 1 1 A 3 3 LYS C C 3 176.086 176.044 0.042 1
1 16 . 3 1 1 A 3 3 LYS CA C 3 56.354 54.289 2.065 1
1 17 . 3 1 1 A 3 3 LYS CB C 3 33.325 35.620 -2.295 1
1 21 . 3 1 1 A 4 4 ALA H H 4 8.515 8.519 -0.004 1
1 22 . 3 1 1 A 4 4 ALA HA H 4 4.356 3.914 0.442 1
1 26 . 3 1 1 A 4 4 ALA C C 4 177.307 175.810 1.497 1
1 27 . 3 1 1 A 4 4 ALA CA C 4 52.316 53.381 -1.065 1
1 28 . 3 1 1 A 4 4 ALA CB C 4 19.421 17.654 1.767 1
1 29 . 3 1 1 A 4 4 ALA N N 4 126.866 122.260 4.606 1
1 30 . 3 1 1 A 5 5 GLN H H 5 8.521 7.510 1.011 1
1 31 . 3 1 1 A 5 5 GLN HA H 5 4.652 4.903 -0.251 1
1 38 . 3 1 1 A 5 5 GLN C C 5 173.576 174.124 -0.548 1
1 39 . 3 1 1 A 5 5 GLN CA C 5 53.470 53.547 -0.077 1
1 40 . 3 1 1 A 5 5 GLN CB C 5 29.457 31.064 -1.607 1
1 42 . 3 1 1 A 5 5 GLN N N 5 122.182 112.264 9.918 1
1 44 . 3 1 1 A 6 6 PRO HA H 6 4.587 4.726 -0.139 1
1 51 . 3 1 1 A 6 6 PRO C C 6 176.481 175.826 0.655 1
1 52 . 3 1 1 A 6 6 PRO CA C 6 63.028 62.220 0.808 1
1 53 . 3 1 1 A 6 6 PRO CB C 6 32.905 32.987 -0.082 1
1 56 . 3 1 1 A 7 7 ILE H H 7 8.581 8.845 -0.264 1
1 57 . 3 1 1 A 7 7 ILE HA H 7 4.245 4.318 -0.073 1
1 67 . 3 1 1 A 7 7 ILE C C 7 174.129 174.566 -0.437 1
1 68 . 3 1 1 A 7 7 ILE CA C 7 60.613 60.951 -0.338 1
1 69 . 3 1 1 A 7 7 ILE CB C 7 40.266 36.593 3.673 1
1 73 . 3 1 1 A 7 7 ILE N N 7 120.418 121.116 -0.698 1
1 74 . 3 1 1 A 8 8 GLU H H 8 8.572 8.573 -0.001 1
1 75 . 3 1 1 A 8 8 GLU HA H 8 5.363 4.832 0.531 1
1 80 . 3 1 1 A 8 8 GLU C C 8 175.806 175.404 0.402 1
1 81 . 3 1 1 A 8 8 GLU CA C 8 54.749 55.625 -0.876 1
1 82 . 3 1 1 A 8 8 GLU CB C 8 31.505 30.957 0.548 1
1 84 . 3 1 1 A 8 8 GLU N N 8 128.440 127.802 0.638 1
1 85 . 3 1 1 A 9 9 ILE H H 9 8.591 8.918 -0.327 1
1 86 . 3 1 1 A 9 9 ILE HA H 9 4.111 4.380 -0.269 1
1 96 . 3 1 1 A 9 9 ILE C C 9 174.977 176.042 -1.065 1
1 97 . 3 1 1 A 9 9 ILE CA C 9 60.967 60.063 0.904 1
1 98 . 3 1 1 A 9 9 ILE CB C 9 41.559 39.496 2.063 1
1 102 . 3 1 1 A 9 9 ILE N N 9 123.957 128.017 -4.060 1
1 103 . 3 1 1 A 10 10 ALA H H 10 9.398 9.121 0.277 1
1 104 . 3 1 1 A 10 10 ALA HA H 10 4.072 4.041 0.031 1
1 108 . 3 1 1 A 10 10 ALA C C 10 177.026 176.930 0.096 1
1 109 . 3 1 1 A 10 10 ALA CA C 10 52.646 53.365 -0.719 1
1 110 . 3 1 1 A 10 10 ALA CB C 10 18.121 18.008 0.113 1
1 111 . 3 1 1 A 10 10 ALA N N 10 130.074 131.894 -1.820 1
1 112 . 3 1 1 A 11 11 GLY H H 11 8.958 8.414 0.544 1
1 113 . 3 1 1 A 11 11 GLY HA2 H 11 4.046 3.831 0.215 1
1 114 . 3 1 1 A 11 11 GLY HA3 H 11 3.570 3.842 -0.272 1
1 115 . 3 1 1 A 11 11 GLY C C 11 174.139 174.264 -0.125 1
1 116 . 3 1 1 A 11 11 GLY CA C 11 45.467 45.123 0.344 1
1 117 . 3 1 1 A 11 11 GLY N N 11 105.460 103.181 2.279 1
1 118 . 3 1 1 A 12 12 HIS H H 12 8.189 8.160 0.029 1
1 119 . 3 1 1 A 12 12 HIS HA H 12 4.325 4.232 0.093 1
1 124 . 3 1 1 A 12 12 HIS C C 12 173.060 173.887 -0.827 1
1 125 . 3 1 1 A 12 12 HIS CA C 12 54.628 55.915 -1.287 1
1 126 . 3 1 1 A 12 12 HIS CB C 12 30.432 29.116 1.316 1
1 129 . 3 1 1 A 12 12 HIS N N 12 120.216 118.836 1.380 1
1 130 . 3 1 1 A 13 13 GLU H H 13 8.338 8.409 -0.071 1
1 131 . 3 1 1 A 13 13 GLU HA H 13 4.659 4.601 0.058 1
1 136 . 3 1 1 A 13 13 GLU C C 13 175.231 175.275 -0.044 1
1 137 . 3 1 1 A 13 13 GLU CA C 13 55.147 55.459 -0.312 1
1 138 . 3 1 1 A 13 13 GLU CB C 13 31.218 30.480 0.738 1
1 140 . 3 1 1 A 13 13 GLU N N 13 122.925 123.400 -0.475 1
1 141 . 3 1 1 A 14 14 PHE H H 14 9.117 9.096 0.021 1
1 142 . 3 1 1 A 14 14 PHE HA H 14 4.941 5.017 -0.076 1
1 150 . 3 1 1 A 14 14 PHE C C 14 175.179 175.998 -0.819 1
1 151 . 3 1 1 A 14 14 PHE CA C 14 56.302 56.615 -0.313 1
1 152 . 3 1 1 A 14 14 PHE CB C 14 41.499 41.853 -0.354 1
1 158 . 3 1 1 A 14 14 PHE N N 14 123.141 121.389 1.752 1
1 159 . 3 1 1 A 15 15 ALA H H 15 9.393 8.758 0.635 1
1 160 . 3 1 1 A 15 15 ALA HA H 15 4.130 4.391 -0.261 1
1 164 . 3 1 1 A 15 15 ALA C C 15 177.675 177.150 0.525 1
1 165 . 3 1 1 A 15 15 ALA CA C 15 54.880 53.106 1.774 1
1 166 . 3 1 1 A 15 15 ALA CB C 15 18.986 19.909 -0.923 1
1 167 . 3 1 1 A 15 15 ALA N N 15 126.102 125.851 0.251 1
1 168 . 3 1 1 A 16 16 ARG H H 16 7.756 7.731 0.025 1
1 169 . 3 1 1 A 16 16 ARG HA H 16 4.809 4.850 -0.041 1
1 176 . 3 1 1 A 16 16 ARG C C 16 177.344 176.052 1.292 1
1 177 . 3 1 1 A 16 16 ARG CA C 16 53.409 54.725 -1.316 1
1 178 . 3 1 1 A 16 16 ARG CB C 16 33.323 33.504 -0.181 1
1 181 . 3 1 1 A 16 16 ARG N N 16 110.189 117.917 -7.728 1
1 182 . 3 1 1 A 17 17 LYS H H 17 9.303 8.902 0.401 1
1 183 . 3 1 1 A 17 17 LYS HA H 17 3.742 3.899 -0.157 1
1 192 . 3 1 1 A 17 17 LYS C C 17 178.667 177.929 0.738 1
1 193 . 3 1 1 A 17 17 LYS CA C 17 60.663 59.683 0.980 1
1 194 . 3 1 1 A 17 17 LYS CB C 17 32.005 32.162 -0.157 1
1 198 . 3 1 1 A 17 17 LYS N N 17 125.242 125.749 -0.507 1
1 199 . 3 1 1 A 18 18 ALA H H 18 8.777 8.239 0.538 1
1 200 . 3 1 1 A 18 18 ALA HA H 18 4.046 4.051 -0.005 1
1 204 . 3 1 1 A 18 18 ALA C C 18 180.134 179.802 0.332 1
1 205 . 3 1 1 A 18 18 ALA CA C 18 55.181 55.029 0.152 1
1 206 . 3 1 1 A 18 18 ALA CB C 18 18.633 18.312 0.321 1
1 207 . 3 1 1 A 18 18 ALA N N 18 118.670 121.201 -2.531 1
1 208 . 3 1 1 A 19 19 ASP H H 19 7.454 7.814 -0.360 1
1 209 . 3 1 1 A 19 19 ASP HA H 19 4.586 4.439 0.147 1
1 212 . 3 1 1 A 19 19 ASP C C 19 178.469 178.029 0.440 1
1 213 . 3 1 1 A 19 19 ASP CA C 19 57.082 56.796 0.286 1
1 214 . 3 1 1 A 19 19 ASP CB C 19 41.304 40.529 0.775 1
1 215 . 3 1 1 A 19 19 ASP N N 19 117.020 118.771 -1.751 1
1 216 . 3 1 1 A 20 20 ALA H H 20 7.123 7.575 -0.452 1
1 217 . 3 1 1 A 20 20 ALA HA H 20 2.604 3.184 -0.580 1
1 221 . 3 1 1 A 20 20 ALA C C 20 178.706 180.028 -1.322 1
1 222 . 3 1 1 A 20 20 ALA CA C 20 54.453 54.698 -0.245 1
1 223 . 3 1 1 A 20 20 ALA CB C 20 18.199 18.197 0.002 1
1 224 . 3 1 1 A 20 20 ALA N N 20 124.691 122.084 2.607 1
1 225 . 3 1 1 A 21 21 LEU H H 21 7.871 8.123 -0.252 1
1 226 . 3 1 1 A 21 21 LEU HA H 21 4.008 4.110 -0.102 1
1 236 . 3 1 1 A 21 21 LEU C C 21 179.041 178.892 0.149 1
1 237 . 3 1 1 A 21 21 LEU CA C 21 58.398 58.033 0.365 1
1 238 . 3 1 1 A 21 21 LEU CB C 21 41.382 41.802 -0.420 1
1 242 . 3 1 1 A 21 21 LEU N N 21 116.889 119.371 -2.482 1
1 243 . 3 1 1 A 22 22 ALA H H 22 7.972 8.318 -0.346 1
1 244 . 3 1 1 A 22 22 ALA HA H 22 4.158 4.075 0.083 1
1 248 . 3 1 1 A 22 22 ALA C C 22 179.288 179.580 -0.292 1
1 249 . 3 1 1 A 22 22 ALA CA C 22 55.180 54.998 0.182 1
1 250 . 3 1 1 A 22 22 ALA CB C 22 18.013 18.495 -0.482 1
1 251 . 3 1 1 A 22 22 ALA N N 22 121.219 120.713 0.506 1
1 252 . 3 1 1 A 23 23 PHE H H 23 7.546 8.290 -0.744 1
1 253 . 3 1 1 A 23 23 PHE HA H 23 4.081 3.977 0.104 1
1 261 . 3 1 1 A 23 23 PHE C C 23 178.515 177.116 1.399 1
1 262 . 3 1 1 A 23 23 PHE CA C 23 61.520 61.314 0.206 1
1 263 . 3 1 1 A 23 23 PHE CB C 23 40.296 39.447 0.849 1
1 269 . 3 1 1 A 23 23 PHE N N 23 119.034 119.419 -0.385 1
1 270 . 3 1 1 A 24 24 MET H H 24 7.595 8.078 -0.483 1
1 271 . 3 1 1 A 24 24 MET HA H 24 3.768 4.154 -0.386 1
1 279 . 3 1 1 A 24 24 MET C C 24 176.037 178.412 -2.375 1
1 280 . 3 1 1 A 24 24 MET CA C 24 59.901 57.570 2.331 1
1 281 . 3 1 1 A 24 24 MET CB C 24 34.008 30.778 3.230 1
1 284 . 3 1 1 A 24 24 MET N N 24 118.377 116.479 1.898 1
1 285 . 3 1 1 A 25 25 LYS H H 25 8.131 8.153 -0.022 1
1 286 . 3 1 1 A 25 25 LYS HA H 25 3.747 4.143 -0.396 1
1 295 . 3 1 1 A 25 25 LYS C C 25 178.865 178.771 0.094 1
1 296 . 3 1 1 A 25 25 LYS CA C 25 59.994 59.532 0.462 1
1 297 . 3 1 1 A 25 25 LYS CB C 25 32.365 32.117 0.248 1
1 301 . 3 1 1 A 25 25 LYS N N 25 121.901 121.338 0.563 1
1 302 . 3 1 1 A 26 26 VAL H H 26 7.986 8.032 -0.046 1
1 303 . 3 1 1 A 26 26 VAL HA H 26 3.515 3.500 0.015 1
1 311 . 3 1 1 A 26 26 VAL C C 26 178.654 177.900 0.754 1
1 312 . 3 1 1 A 26 26 VAL CA C 26 66.337 66.550 -0.213 1
1 313 . 3 1 1 A 26 26 VAL CB C 26 31.302 31.497 -0.195 1
1 316 . 3 1 1 A 26 26 VAL N N 26 119.393 119.351 0.042 1
1 317 . 3 1 1 A 27 27 MET H H 27 7.232 8.001 -0.769 1
1 318 . 3 1 1 A 27 27 MET HA H 27 3.586 4.029 -0.443 1
1 326 . 3 1 1 A 27 27 MET C C 27 177.564 178.516 -0.952 1
1 327 . 3 1 1 A 27 27 MET CA C 27 59.113 58.340 0.773 1
1 328 . 3 1 1 A 27 27 MET CB C 27 34.025 32.404 1.621 1
1 331 . 3 1 1 A 27 27 MET N N 27 119.647 119.177 0.470 1
1 332 . 3 1 1 A 28 28 LEU H H 28 8.201 7.803 0.398 1
1 333 . 3 1 1 A 28 28 LEU HA H 28 3.733 4.031 -0.298 1
1 343 . 3 1 1 A 28 28 LEU C C 28 178.075 178.575 -0.500 1
1 344 . 3 1 1 A 28 28 LEU CA C 28 57.980 58.356 -0.376 1
1 345 . 3 1 1 A 28 28 LEU CB C 28 41.151 41.342 -0.191 1
1 349 . 3 1 1 A 28 28 LEU N N 28 118.420 123.365 -4.945 1
1 350 . 3 1 1 A 29 29 ASN H H 29 7.579 7.877 -0.298 1
1 351 . 3 1 1 A 29 29 ASN HA H 29 4.512 4.856 -0.344 1
1 356 . 3 1 1 A 29 29 ASN C C 29 176.087 178.136 -2.049 1
1 357 . 3 1 1 A 29 29 ASN CA C 29 54.286 56.097 -1.811 1
1 358 . 3 1 1 A 29 29 ASN CB C 29 38.984 38.425 0.559 1
1 359 . 3 1 1 A 29 29 ASN N N 29 112.254 116.642 -4.388 1
1 361 . 3 1 1 A 30 30 ARG H H 30 7.621 7.587 0.034 1
1 362 . 3 1 1 A 30 30 ARG HA H 30 4.169 3.894 0.275 1
1 369 . 3 1 1 A 30 30 ARG C C 30 175.926 176.074 -0.148 1
1 370 . 3 1 1 A 30 30 ARG CA C 30 57.482 58.698 -1.216 1
1 371 . 3 1 1 A 30 30 ARG CB C 30 30.404 30.040 0.364 1
1 374 . 3 1 1 A 30 30 ARG N N 30 118.878 119.572 -0.694 1
1 375 . 3 1 1 A 31 31 TYR H H 31 7.287 7.553 -0.266 1
1 376 . 3 1 1 A 31 31 TYR HA H 31 4.690 4.774 -0.084 1
1 383 . 3 1 1 A 31 31 TYR C C 31 174.348 175.847 -1.499 1
1 384 . 3 1 1 A 31 31 TYR CA C 31 58.118 57.901 0.217 1
1 385 . 3 1 1 A 31 31 TYR CB C 31 43.045 40.416 2.629 1
1 390 . 3 1 1 A 31 31 TYR N N 31 118.414 117.115 1.299 1
1 391 . 3 1 1 A 32 32 ARG H H 32 9.314 8.537 0.777 1
1 392 . 3 1 1 A 32 32 ARG HA H 32 4.913 4.801 0.112 1
1 399 . 3 1 1 A 32 32 ARG C C 32 173.525 174.590 -1.065 1
1 400 . 3 1 1 A 32 32 ARG CA C 32 52.775 53.318 -0.543 1
1 401 . 3 1 1 A 32 32 ARG CB C 32 30.292 30.858 -0.566 1
1 404 . 3 1 1 A 32 32 ARG N N 32 121.876 121.728 0.148 1
1 405 . 3 1 1 A 33 33 PRO HA H 33 3.870 4.764 -0.894 1
1 412 . 3 1 1 A 33 33 PRO C C 33 177.517 177.261 0.256 1
1 413 . 3 1 1 A 33 33 PRO CA C 33 64.332 62.897 1.435 1
1 414 . 3 1 1 A 33 33 PRO CB C 33 31.655 29.949 1.706 1
1 417 . 3 1 1 A 34 34 GLY H H 34 9.584 8.667 0.917 1
1 418 . 3 1 1 A 34 34 GLY HA2 H 34 4.422 4.009 0.413 1
1 419 . 3 1 1 A 34 34 GLY HA3 H 34 3.725 4.036 -0.311 1
1 420 . 3 1 1 A 34 34 GLY C C 34 174.605 174.528 0.077 1
1 421 . 3 1 1 A 34 34 GLY CA C 34 44.745 45.324 -0.579 1
1 422 . 3 1 1 A 34 34 GLY N N 34 115.669 112.631 3.038 1
1 423 . 3 1 1 A 35 35 ASP H H 35 8.252 8.139 0.113 1
1 424 . 3 1 1 A 35 35 ASP HA H 35 4.691 4.685 0.006 1
1 427 . 3 1 1 A 35 35 ASP C C 35 175.279 175.492 -0.213 1
1 428 . 3 1 1 A 35 35 ASP CA C 35 55.195 55.092 0.103 1
1 429 . 3 1 1 A 35 35 ASP CB C 35 42.301 41.782 0.519 1
1 430 . 3 1 1 A 35 35 ASP N N 35 122.076 121.548 0.528 1
1 431 . 3 1 1 A 36 36 ILE H H 36 8.194 8.537 -0.343 1
1 432 . 3 1 1 A 36 36 ILE HA H 36 4.546 4.160 0.386 1
1 442 . 3 1 1 A 36 36 ILE C C 36 176.709 176.335 0.374 1
1 443 . 3 1 1 A 36 36 ILE CA C 36 59.572 60.603 -1.031 1
1 444 . 3 1 1 A 36 36 ILE CB C 36 37.870 37.822 0.048 1
1 448 . 3 1 1 A 36 36 ILE N N 36 120.260 123.764 -3.504 1
1 449 . 3 1 1 A 37 37 VAL H H 37 7.963 8.717 -0.754 1
1 450 . 3 1 1 A 37 37 VAL HA H 37 3.671 3.347 0.324 1
1 458 . 3 1 1 A 37 37 VAL C C 37 176.530 176.527 0.003 1
1 459 . 3 1 1 A 37 37 VAL CA C 37 62.969 62.988 -0.019 1
1 460 . 3 1 1 A 37 37 VAL CB C 37 32.201 32.091 0.110 1
1 463 . 3 1 1 A 37 37 VAL N N 37 126.533 126.735 -0.202 1
1 464 . 3 1 1 A 38 38 SER H H 38 8.852 8.515 0.337 1
1 465 . 3 1 1 A 38 38 SER HA H 38 4.600 4.657 -0.057 1
1 468 . 3 1 1 A 38 38 SER C C 38 174.950 176.145 -1.195 1
1 469 . 3 1 1 A 38 38 SER CA C 38 58.147 57.699 0.448 1
1 470 . 3 1 1 A 38 38 SER CB C 38 65.224 65.356 -0.132 1
1 471 . 3 1 1 A 38 38 SER N N 38 122.752 121.404 1.348 1
1 472 . 3 1 1 A 39 39 THR H H 39 8.870 8.733 0.137 1
1 473 . 3 1 1 A 39 39 THR HA H 39 4.153 4.030 0.123 1
1 478 . 3 1 1 A 39 39 THR C C 39 177.855 176.417 1.438 1
1 479 . 3 1 1 A 39 39 THR CA C 39 66.299 66.391 -0.092 1
1 480 . 3 1 1 A 39 39 THR CB C 39 68.559 68.678 -0.119 1
1 482 . 3 1 1 A 39 39 THR N N 39 116.391 116.593 -0.202 1
1 483 . 3 1 1 A 40 40 VAL H H 40 8.018 7.737 0.281 1
1 484 . 3 1 1 A 40 40 VAL HA H 40 4.028 3.697 0.331 1
1 492 . 3 1 1 A 40 40 VAL C C 40 178.339 177.757 0.582 1
1 493 . 3 1 1 A 40 40 VAL CA C 40 65.776 66.549 -0.773 1
1 494 . 3 1 1 A 40 40 VAL CB C 40 32.139 31.923 0.216 1
1 497 . 3 1 1 A 40 40 VAL N N 40 121.035 121.659 -0.624 1
1 498 . 3 1 1 A 41 41 ASP H H 41 7.610 8.717 -1.107 1
1 499 . 3 1 1 A 41 41 ASP HA H 41 4.570 4.440 0.130 1
1 502 . 3 1 1 A 41 41 ASP C C 41 178.746 179.797 -1.051 1
1 503 . 3 1 1 A 41 41 ASP CA C 41 57.492 56.998 0.494 1
1 504 . 3 1 1 A 41 41 ASP CB C 41 39.740 40.301 -0.561 1
1 505 . 3 1 1 A 41 41 ASP N N 41 124.108 119.212 4.896 1
1 506 . 3 1 1 A 42 42 GLY H H 42 9.363 8.644 0.719 1
1 507 . 3 1 1 A 42 42 GLY HA2 H 42 4.186 3.627 0.559 1
1 508 . 3 1 1 A 42 42 GLY HA3 H 42 3.584 3.863 -0.279 1
1 509 . 3 1 1 A 42 42 GLY C C 42 175.329 176.177 -0.848 1
1 510 . 3 1 1 A 42 42 GLY CA C 42 46.944 47.126 -0.182 1
1 511 . 3 1 1 A 42 42 GLY N N 42 109.572 109.396 0.176 1
1 512 . 3 1 1 A 43 43 ALA H H 43 7.949 8.020 -0.071 1
1 513 . 3 1 1 A 43 43 ALA HA H 43 4.240 4.033 0.207 1
1 517 . 3 1 1 A 43 43 ALA C C 43 180.375 179.527 0.848 1
1 518 . 3 1 1 A 43 43 ALA CA C 43 54.897 54.700 0.197 1
1 519 . 3 1 1 A 43 43 ALA CB C 43 17.895 18.414 -0.519 1
1 520 . 3 1 1 A 43 43 ALA N N 43 123.561 124.621 -1.060 1
1 521 . 3 1 1 A 44 44 PHE H H 44 7.337 7.771 -0.434 1
1 522 . 3 1 1 A 44 44 PHE HA H 44 3.957 4.133 -0.176 1
1 530 . 3 1 1 A 44 44 PHE C C 44 177.252 176.557 0.695 1
1 531 . 3 1 1 A 44 44 PHE CA C 44 61.508 61.376 0.132 1
1 532 . 3 1 1 A 44 44 PHE CB C 44 38.993 39.161 -0.168 1
1 538 . 3 1 1 A 44 44 PHE N N 44 118.542 120.484 -1.942 1
1 539 . 3 1 1 A 45 45 LEU H H 45 8.301 8.170 0.131 1
1 540 . 3 1 1 A 45 45 LEU HA H 45 3.741 3.684 0.057 1
1 550 . 3 1 1 A 45 45 LEU C C 45 178.847 178.735 0.112 1
1 551 . 3 1 1 A 45 45 LEU CA C 45 57.643 57.692 -0.049 1
1 552 . 3 1 1 A 45 45 LEU CB C 45 41.274 41.108 0.166 1
1 556 . 3 1 1 A 45 45 LEU N N 45 119.345 119.822 -0.477 1
1 557 . 3 1 1 A 46 46 VAL H H 46 8.562 7.901 0.661 1
1 558 . 3 1 1 A 46 46 VAL HA H 46 3.759 3.520 0.239 1
1 566 . 3 1 1 A 46 46 VAL C C 46 177.077 177.153 -0.076 1
1 567 . 3 1 1 A 46 46 VAL CA C 46 67.081 66.998 0.083 1
1 568 . 3 1 1 A 46 46 VAL CB C 46 31.639 31.220 0.419 1
1 571 . 3 1 1 A 46 46 VAL N N 46 118.458 118.912 -0.454 1
1 572 . 3 1 1 A 47 47 GLU H H 47 6.896 8.209 -1.313 1
1 573 . 3 1 1 A 47 47 GLU HA H 47 4.019 3.919 0.100 1
1 578 . 3 1 1 A 47 47 GLU C C 47 179.738 179.408 0.330 1
1 579 . 3 1 1 A 47 47 GLU CA C 47 58.582 59.379 -0.797 1
1 580 . 3 1 1 A 47 47 GLU CB C 47 29.029 29.474 -0.445 1
1 582 . 3 1 1 A 47 47 GLU N N 47 117.916 119.338 -1.422 1
1 583 . 3 1 1 A 48 48 ALA H H 48 8.310 7.538 0.772 1
1 584 . 3 1 1 A 48 48 ALA HA H 48 3.761 4.051 -0.290 1
1 588 . 3 1 1 A 48 48 ALA C C 48 179.636 179.359 0.277 1
1 589 . 3 1 1 A 48 48 ALA CA C 48 55.769 54.536 1.233 1
1 590 . 3 1 1 A 48 48 ALA CB C 48 17.370 18.155 -0.785 1
1 591 . 3 1 1 A 48 48 ALA N N 48 123.600 122.429 1.171 1
1 592 . 3 1 1 A 49 49 LEU H H 49 8.724 7.761 0.963 1
1 593 . 3 1 1 A 49 49 LEU HA H 49 3.924 3.531 0.393 1
1 603 . 3 1 1 A 49 49 LEU C C 49 178.188 178.884 -0.696 1
1 604 . 3 1 1 A 49 49 LEU CA C 49 57.387 56.938 0.449 1
1 605 . 3 1 1 A 49 49 LEU CB C 49 41.780 41.427 0.353 1
1 609 . 3 1 1 A 49 49 LEU N N 49 119.812 120.795 -0.983 1
1 610 . 3 1 1 A 50 50 LYS H H 50 7.421 7.891 -0.470 1
1 611 . 3 1 1 A 50 50 LYS HA H 50 3.856 4.071 -0.215 1
1 620 . 3 1 1 A 50 50 LYS C C 50 177.592 178.289 -0.697 1
1 621 . 3 1 1 A 50 50 LYS CA C 50 59.345 58.931 0.414 1
1 622 . 3 1 1 A 50 50 LYS CB C 50 32.757 31.988 0.769 1
1 626 . 3 1 1 A 50 50 LYS N N 50 115.568 118.986 -3.418 1
1 627 . 3 1 1 A 51 51 ARG H H 51 7.787 7.525 0.262 1
1 628 . 3 1 1 A 51 51 ARG HA H 51 4.356 4.315 0.041 1
1 635 . 3 1 1 A 51 51 ARG C C 51 176.424 175.219 1.205 1
1 636 . 3 1 1 A 51 51 ARG CA C 51 55.690 55.748 -0.058 1
1 637 . 3 1 1 A 51 51 ARG CB C 51 30.227 30.712 -0.485 1
1 640 . 3 1 1 A 51 51 ARG N N 51 115.686 116.572 -0.886 1
1 641 . 3 1 1 A 52 52 HIS H H 52 8.159 7.466 0.693 1
1 642 . 3 1 1 A 52 52 HIS HA H 52 4.512 4.844 -0.332 1
1 646 . 3 1 1 A 52 52 HIS C C 52 175.409 174.939 0.470 1
1 647 . 3 1 1 A 52 52 HIS CA C 52 56.087 53.842 2.245 1
1 648 . 3 1 1 A 52 52 HIS CB C 52 32.904 31.063 1.841 1
1 650 . 3 1 1 A 52 52 HIS N N 52 125.025 117.483 7.542 1
1 651 . 3 1 1 A 53 53 PRO HA H 53 4.341 4.222 0.119 1
1 658 . 3 1 1 A 53 53 PRO CA C 53 65.210 64.975 0.235 1
1 659 . 3 1 1 A 53 53 PRO CB C 53 31.791 31.906 -0.115 1
1 662 . 3 1 1 A 54 54 ASP H H 54 8.058 8.343 -0.285 1
1 663 . 3 1 1 A 54 54 ASP HA H 54 5.184 4.474 0.710 1
1 666 . 3 1 1 A 54 54 ASP C C 54 176.079 178.238 -2.159 1
1 667 . 3 1 1 A 54 54 ASP CA C 54 52.778 56.393 -3.615 1
1 668 . 3 1 1 A 54 54 ASP CB C 54 41.573 40.668 0.905 1
1 669 . 3 1 1 A 55 55 ALA H H 55 7.731 8.389 -0.658 1
1 670 . 3 1 1 A 55 55 ALA HA H 55 3.589 4.005 -0.416 1
1 674 . 3 1 1 A 55 55 ALA C C 55 178.550 179.570 -1.020 1
1 675 . 3 1 1 A 55 55 ALA CA C 55 57.024 55.120 1.904 1
1 676 . 3 1 1 A 55 55 ALA CB C 55 20.320 18.551 1.769 1
1 677 . 3 1 1 A 55 55 ALA N N 55 122.261 121.343 0.918 1
1 678 . 3 1 1 A 56 56 THR H H 56 8.405 8.214 0.191 1
1 679 . 3 1 1 A 56 56 THR HA H 56 3.804 3.874 -0.070 1
1 684 . 3 1 1 A 56 56 THR C C 56 177.743 176.831 0.912 1
1 685 . 3 1 1 A 56 56 THR CA C 56 67.024 65.403 1.621 1
1 686 . 3 1 1 A 56 56 THR CB C 56 68.257 68.900 -0.643 1
1 688 . 3 1 1 A 56 56 THR N N 56 110.600 113.850 -3.250 1
1 689 . 3 1 1 A 57 57 SER H H 57 7.907 7.834 0.073 1
1 690 . 3 1 1 A 57 57 SER HA H 57 4.251 4.216 0.035 1
1 693 . 3 1 1 A 57 57 SER C C 57 176.547 176.487 0.060 1
1 694 . 3 1 1 A 57 57 SER CA C 57 60.395 61.264 -0.869 1
1 695 . 3 1 1 A 57 57 SER CB C 57 62.766 62.901 -0.135 1
1 696 . 3 1 1 A 57 57 SER N N 57 117.623 116.746 0.877 1
1 697 . 3 1 1 A 58 58 LYS H H 58 8.180 8.038 0.142 1
1 698 . 3 1 1 A 58 58 LYS HA H 58 3.687 4.238 -0.551 1
1 707 . 3 1 1 A 58 58 LYS C C 58 178.074 176.895 1.179 1
1 708 . 3 1 1 A 58 58 LYS CA C 58 58.090 57.344 0.746 1
1 709 . 3 1 1 A 58 58 LYS CB C 58 32.328 32.035 0.293 1
1 713 . 3 1 1 A 58 58 LYS N N 58 120.772 120.384 0.388 1
1 714 . 3 1 1 A 59 59 ILE H H 59 8.407 7.799 0.608 1
1 715 . 3 1 1 A 59 59 ILE HA H 59 3.336 4.203 -0.867 1
1 725 . 3 1 1 A 59 59 ILE C C 59 176.705 177.013 -0.308 1
1 726 . 3 1 1 A 59 59 ILE CA C 59 64.224 62.287 1.937 1
1 727 . 3 1 1 A 59 59 ILE CB C 59 38.989 39.247 -0.258 1
1 731 . 3 1 1 A 59 59 ILE N N 59 119.024 117.575 1.449 1
1 732 . 3 1 1 A 60 60 GLY H H 60 7.360 7.960 -0.600 1
1 733 . 3 1 1 A 60 60 GLY HA2 H 60 3.884 3.803 0.081 1
1 734 . 3 1 1 A 60 60 GLY HA3 H 60 3.614 3.806 -0.192 1
1 735 . 3 1 1 A 60 60 GLY C C 60 173.964 174.858 -0.894 1
1 736 . 3 1 1 A 60 60 GLY CA C 60 44.586 46.547 -1.961 1
1 737 . 3 1 1 A 60 60 GLY N N 60 106.081 110.316 -4.235 1
1 738 . 3 1 1 A 61 61 PRO HA H 61 4.486 4.433 0.053 1
1 745 . 3 1 1 A 61 61 PRO C C 61 175.603 176.493 -0.890 1
1 746 . 3 1 1 A 61 61 PRO CA C 61 63.473 63.941 -0.468 1
1 747 . 3 1 1 A 61 61 PRO CB C 61 31.981 32.085 -0.104 1
1 750 . 3 1 1 A 62 62 GLY H H 62 7.835 7.241 0.594 1
1 751 . 3 1 1 A 62 62 GLY HA2 H 62 4.378 4.030 0.348 1
1 752 . 3 1 1 A 62 62 GLY HA3 H 62 3.416 4.032 -0.616 1
1 753 . 3 1 1 A 62 62 GLY C C 62 172.596 171.926 0.670 1
1 754 . 3 1 1 A 62 62 GLY CA C 62 44.498 44.877 -0.379 1
1 755 . 3 1 1 A 62 62 GLY N N 62 110.214 106.937 3.277 1
1 756 . 3 1 1 A 63 63 VAL H H 63 8.646 8.419 0.227 1
1 757 . 3 1 1 A 63 63 VAL HA H 63 3.668 4.151 -0.483 1
1 765 . 3 1 1 A 63 63 VAL C C 63 175.808 175.775 0.033 1
1 766 . 3 1 1 A 63 63 VAL CA C 63 63.681 62.340 1.341 1
1 767 . 3 1 1 A 63 63 VAL CB C 63 32.863 31.811 1.052 1
1 770 . 3 1 1 A 63 63 VAL N N 63 122.735 120.646 2.089 1
1 771 . 3 1 1 A 64 64 ARG H H 64 9.524 8.747 0.777 1
1 772 . 3 1 1 A 64 64 ARG HA H 64 4.254 4.348 -0.094 1
1 779 . 3 1 1 A 64 64 ARG C C 64 175.574 175.829 -0.255 1
1 780 . 3 1 1 A 64 64 ARG CA C 64 57.310 57.433 -0.123 1
1 781 . 3 1 1 A 64 64 ARG CB C 64 31.928 31.373 0.555 1
1 784 . 3 1 1 A 64 64 ARG N N 64 129.782 129.313 0.469 1
1 785 . 3 1 1 A 65 65 ASN H H 65 8.089 7.250 0.839 1
1 786 . 3 1 1 A 65 65 ASN HA H 65 4.662 4.981 -0.319 1
1 791 . 3 1 1 A 65 65 ASN C C 65 171.753 172.072 -0.319 1
1 792 . 3 1 1 A 65 65 ASN CA C 65 53.279 52.052 1.227 1
1 793 . 3 1 1 A 65 65 ASN CB C 65 43.717 39.906 3.811 1
1 794 . 3 1 1 A 65 65 ASN N N 65 114.163 112.074 2.089 1
1 796 . 3 1 1 A 66 66 PHE H H 66 9.064 8.615 0.449 1
1 797 . 3 1 1 A 66 66 PHE HA H 66 5.738 5.598 0.140 1
1 805 . 3 1 1 A 66 66 PHE C C 66 174.834 174.121 0.713 1
1 806 . 3 1 1 A 66 66 PHE CA C 66 56.578 56.253 0.325 1
1 807 . 3 1 1 A 66 66 PHE CB C 66 41.888 43.162 -1.274 1
1 813 . 3 1 1 A 66 66 PHE N N 66 114.774 115.919 -1.145 1
1 814 . 3 1 1 A 67 67 GLU H H 67 9.328 9.357 -0.029 1
1 815 . 3 1 1 A 67 67 GLU HA H 67 5.307 5.159 0.148 1
1 820 . 3 1 1 A 67 67 GLU C C 67 174.999 175.028 -0.029 1
1 821 . 3 1 1 A 67 67 GLU CA C 67 54.003 54.575 -0.572 1
1 822 . 3 1 1 A 67 67 GLU CB C 67 35.678 33.596 2.082 1
1 824 . 3 1 1 A 67 67 GLU N N 67 122.005 122.291 -0.286 1
1 825 . 3 1 1 A 68 68 VAL H H 68 8.598 8.386 0.212 1
1 826 . 3 1 1 A 68 68 VAL HA H 68 4.859 4.695 0.164 1
1 834 . 3 1 1 A 68 68 VAL C C 68 175.361 176.282 -0.921 1
1 835 . 3 1 1 A 68 68 VAL CA C 68 62.102 61.793 0.309 1
1 836 . 3 1 1 A 68 68 VAL CB C 68 32.865 32.431 0.434 1
1 839 . 3 1 1 A 68 68 VAL N N 68 124.692 126.777 -2.085 1
1 840 . 3 1 1 A 69 69 ARG H H 69 8.896 8.579 0.317 1
1 841 . 3 1 1 A 69 69 ARG HA H 69 4.888 4.855 0.033 1
1 848 . 3 1 1 A 69 69 ARG C C 69 175.469 175.774 -0.305 1
1 849 . 3 1 1 A 69 69 ARG CA C 69 54.384 53.711 0.673 1
1 850 . 3 1 1 A 69 69 ARG CB C 69 34.979 34.071 0.908 1
1 853 . 3 1 1 A 69 69 ARG N N 69 123.599 126.792 -3.193 1
1 854 . 3 1 1 A 70 70 SER H H 70 8.758 8.928 -0.170 1
1 855 . 3 1 1 A 70 70 SER HA H 70 4.511 4.630 -0.119 1
1 858 . 3 1 1 A 70 70 SER C C 70 173.488 173.941 -0.453 1
1 859 . 3 1 1 A 70 70 SER CA C 70 59.858 58.880 0.978 1
1 860 . 3 1 1 A 70 70 SER CB C 70 63.927 63.815 0.112 1
1 861 . 3 1 1 A 70 70 SER N N 70 116.239 117.862 -1.623 1
1 862 . 3 1 1 A 71 71 ALA H H 71 8.456 8.714 -0.258 1
1 863 . 3 1 1 A 71 71 ALA HA H 71 4.688 4.377 0.311 1
1 867 . 3 1 1 A 71 71 ALA C C 71 176.054 177.884 -1.830 1
1 868 . 3 1 1 A 71 71 ALA CA C 71 51.016 53.330 -2.314 1
1 869 . 3 1 1 A 71 71 ALA CB C 71 20.324 19.753 0.571 1
1 870 . 3 1 1 A 71 71 ALA N N 71 128.999 125.781 3.218 1
1 871 . 3 1 1 A 72 72 ASP H H 72 7.968 7.907 0.061 1
1 872 . 3 1 1 A 72 72 ASP HA H 72 4.361 4.171 0.190 1
1 875 . 3 1 1 A 72 72 ASP C C 72 176.444 177.199 -0.755 1
1 876 . 3 1 1 A 72 72 ASP CA C 72 54.732 55.800 -1.068 1
1 877 . 3 1 1 A 72 72 ASP CB C 72 41.060 40.183 0.877 1
1 878 . 3 1 1 A 72 72 ASP N N 72 118.176 119.910 -1.734 1
1 879 . 3 1 1 A 73 73 TYR H H 73 8.768 8.089 0.679 1
1 880 . 3 1 1 A 73 73 TYR HA H 73 4.309 4.668 -0.359 1
1 887 . 3 1 1 A 73 73 TYR C C 73 176.601 177.232 -0.631 1
1 888 . 3 1 1 A 73 73 TYR CA C 73 58.799 59.484 -0.685 1
1 889 . 3 1 1 A 73 73 TYR CB C 73 36.239 40.288 -4.049 1
1 894 . 3 1 1 A 73 73 TYR N N 73 117.846 114.150 3.696 1
1 895 . 3 1 1 A 74 74 GLY H H 74 8.533 8.070 0.463 1
1 896 . 3 1 1 A 74 74 GLY HA2 H 74 4.069 4.024 0.045 1
1 897 . 3 1 1 A 74 74 GLY HA3 H 74 3.844 4.032 -0.188 1
1 898 . 3 1 1 A 74 74 GLY C C 74 175.060 174.107 0.953 1
1 899 . 3 1 1 A 74 74 GLY CA C 74 46.117 45.465 0.652 1
1 900 . 3 1 1 A 74 74 GLY N N 74 108.255 107.585 0.670 1
1 901 . 3 1 1 A 75 75 THR H H 75 7.534 7.491 0.043 1
1 902 . 3 1 1 A 75 75 THR HA H 75 4.687 4.534 0.153 1
1 907 . 3 1 1 A 75 75 THR C C 75 173.779 174.340 -0.561 1
1 908 . 3 1 1 A 75 75 THR CA C 75 61.115 61.198 -0.083 1
1 909 . 3 1 1 A 75 75 THR CB C 75 71.585 70.377 1.208 1
1 911 . 3 1 1 A 75 75 THR N N 75 111.431 112.513 -1.082 1
1 912 . 3 1 1 A 76 76 GLN H H 76 8.590 8.628 -0.038 1
1 913 . 3 1 1 A 76 76 GLN HA H 76 5.238 4.945 0.293 1
1 920 . 3 1 1 A 76 76 GLN C C 76 173.605 174.895 -1.290 1
1 921 . 3 1 1 A 76 76 GLN CA C 76 54.556 54.422 0.134 1
1 922 . 3 1 1 A 76 76 GLN CB C 76 31.657 31.306 0.351 1
1 924 . 3 1 1 A 76 76 GLN N N 76 117.495 121.956 -4.461 1
1 926 . 3 1 1 A 77 77 CYS H H 77 9.058 9.038 0.020 1
1 927 . 3 1 1 A 77 77 CYS HA H 77 4.780 4.886 -0.106 1
1 930 . 3 1 1 A 77 77 CYS C C 77 172.371 173.276 -0.905 1
1 931 . 3 1 1 A 77 77 CYS CA C 77 56.886 57.868 -0.982 1
1 932 . 3 1 1 A 77 77 CYS CB C 77 31.492 32.230 -0.738 1
1 933 . 3 1 1 A 77 77 CYS N N 77 114.572 118.074 -3.502 1
1 934 . 3 1 1 A 78 78 PHE H H 78 8.872 8.776 0.096 1
1 935 . 3 1 1 A 78 78 PHE HA H 78 5.419 5.226 0.193 1
1 943 . 3 1 1 A 78 78 PHE CA C 78 58.466 56.463 2.003 1
1 944 . 3 1 1 A 78 78 PHE CB C 78 42.360 39.772 2.588 1
1 950 . 3 1 1 A 78 78 PHE N N 78 120.396 121.442 -1.046 1
1 951 . 3 1 1 A 79 79 TRP H H 79 10.003 9.540 0.463 1
1 952 . 3 1 1 A 79 79 TRP HA H 79 4.907 5.582 -0.675 1
1 961 . 3 1 1 A 79 79 TRP CA C 79 57.535 56.802 0.733 1
1 962 . 3 1 1 A 79 79 TRP CB C 79 30.788 31.268 -0.480 1
1 968 . 3 1 1 A 79 79 TRP N N 79 120.993 124.577 -3.584 1
1 970 . 3 1 1 A 80 80 ILE H H 80 9.669 9.505 0.164 1
1 971 . 3 1 1 A 80 80 ILE HA H 80 3.773 4.288 -0.515 1
1 981 . 3 1 1 A 80 80 ILE C C 80 174.675 175.108 -0.433 1
1 982 . 3 1 1 A 80 80 ILE CA C 80 61.505 60.684 0.821 1
1 983 . 3 1 1 A 80 80 ILE CB C 80 40.765 37.660 3.105 1
1 987 . 3 1 1 A 80 80 ILE N N 80 122.205 125.136 -2.931 1
1 988 . 3 1 1 A 81 81 LEU H H 81 8.489 8.758 -0.269 1
1 989 . 3 1 1 A 81 81 LEU HA H 81 5.037 4.805 0.232 1
1 999 . 3 1 1 A 81 81 LEU C C 81 177.301 176.098 1.203 1
1 1000 . 3 1 1 A 81 81 LEU CA C 81 53.483 53.809 -0.326 1
1 1001 . 3 1 1 A 81 81 LEU CB C 81 40.344 42.876 -2.532 1
1 1005 . 3 1 1 A 81 81 LEU N N 81 127.849 128.883 -1.034 1
1 1006 . 3 1 1 A 82 82 ARG H H 82 8.980 8.780 0.200 1
1 1007 . 3 1 1 A 82 82 ARG HA H 82 5.127 4.494 0.633 1
1 1014 . 3 1 1 A 82 82 ARG C C 82 179.527 177.399 2.128 1
1 1015 . 3 1 1 A 82 82 ARG CA C 82 57.410 54.670 2.740 1
1 1016 . 3 1 1 A 82 82 ARG CB C 82 31.995 32.134 -0.139 1
1 1019 . 3 1 1 A 82 82 ARG N N 82 121.829 123.790 -1.961 1
1 1020 . 3 1 1 A 83 83 THR H H 83 8.427 8.644 -0.217 1
1 1021 . 3 1 1 A 83 83 THR HA H 83 3.823 3.914 -0.091 1
1 1026 . 3 1 1 A 83 83 THR C C 83 174.540 176.275 -1.735 1
1 1027 . 3 1 1 A 83 83 THR CA C 83 64.441 65.581 -1.140 1
1 1028 . 3 1 1 A 83 83 THR CB C 83 67.987 68.146 -0.159 1
1 1030 . 3 1 1 A 83 83 THR N N 83 111.631 117.439 -5.808 1
1 1031 . 3 1 1 A 84 84 ASP H H 84 7.431 7.912 -0.481 1
1 1032 . 3 1 1 A 84 84 ASP HA H 84 4.706 4.502 0.204 1
1 1035 . 3 1 1 A 84 84 ASP C C 84 177.092 176.173 0.919 1
1 1036 . 3 1 1 A 84 84 ASP CA C 84 52.983 54.909 -1.926 1
1 1037 . 3 1 1 A 84 84 ASP CB C 84 40.502 41.124 -0.622 1
1 1038 . 3 1 1 A 84 84 ASP N N 84 117.630 121.053 -3.423 1
1 1039 . 3 1 1 A 85 85 GLY H H 85 7.924 7.928 -0.004 1
1 1040 . 3 1 1 A 85 85 GLY HA2 H 85 3.741 4.002 -0.261 1
1 1041 . 3 1 1 A 85 85 GLY HA3 H 85 4.364 4.006 0.358 1
1 1042 . 3 1 1 A 85 85 GLY C C 85 174.007 174.594 -0.587 1
1 1043 . 3 1 1 A 85 85 GLY CA C 85 45.370 45.142 0.228 1
1 1044 . 3 1 1 A 85 85 GLY N N 85 108.078 108.057 0.021 1
1 1045 . 3 1 1 A 86 86 SER H H 86 8.009 7.632 0.377 1
1 1046 . 3 1 1 A 86 86 SER HA H 86 4.563 4.443 0.120 1
1 1049 . 3 1 1 A 86 86 SER C C 86 172.835 173.976 -1.141 1
1 1050 . 3 1 1 A 86 86 SER CA C 86 58.731 59.366 -0.635 1
1 1051 . 3 1 1 A 86 86 SER CB C 86 64.803 64.093 0.710 1
1 1052 . 3 1 1 A 86 86 SER N N 86 117.029 117.583 -0.554 1
1 1053 . 3 1 1 A 87 87 GLU H H 87 8.593 9.045 -0.452 1
1 1054 . 3 1 1 A 87 87 GLU HA H 87 5.921 5.534 0.387 1
1 1059 . 3 1 1 A 87 87 GLU C C 87 175.873 174.609 1.264 1
1 1060 . 3 1 1 A 87 87 GLU CA C 87 54.343 54.122 0.221 1
1 1061 . 3 1 1 A 87 87 GLU CB C 87 33.925 34.619 -0.694 1
1 1063 . 3 1 1 A 87 87 GLU N N 87 116.585 120.250 -3.665 1
1 1064 . 3 1 1 A 88 88 GLU HA H 88 4.496 4.757 -0.261 1
1 1069 . 3 1 1 A 88 88 GLU CA C 88 55.840 55.609 0.231 1
1 1070 . 3 1 1 A 88 88 GLU CB C 88 34.310 33.432 0.878 1
1 1072 . 3 1 1 A 89 89 ARG H H 89 8.013 8.392 -0.379 1
1 1073 . 3 1 1 A 89 89 ARG HA H 89 3.184 5.055 -1.871 1
1 1080 . 3 1 1 A 89 89 ARG CA C 89 56.576 53.949 2.627 1
1 1081 . 3 1 1 A 89 89 ARG CB C 89 30.462 33.658 -3.196 1
1 1084 . 3 1 1 A 89 89 ARG N N 89 127.945 120.952 6.993 1
1 1085 . 3 1 1 A 90 90 PHE HA H 90 5.021 5.624 -0.603 1
1 1093 . 3 1 1 A 90 90 PHE CA C 90 55.089 55.527 -0.438 1
1 1094 . 3 1 1 A 90 90 PHE CB C 90 40.446 42.559 -2.113 1
1 1100 . 3 1 1 A 91 91 SER HA H 91 4.639 4.383 0.256 1
1 1103 . 3 1 1 A 91 91 SER CA C 91 56.242 58.556 -2.314 1
1 1104 . 3 1 1 A 91 91 SER CB C 91 62.621 62.118 0.503 1
1 1105 . 3 1 1 A 92 92 TYR HA H 92 4.268 4.338 -0.070 1
1 1112 . 3 1 1 A 92 92 TYR C C 92 176.450 177.233 -0.783 1
1 1113 . 3 1 1 A 92 92 TYR CA C 92 59.575 60.901 -1.326 1
1 1114 . 3 1 1 A 92 92 TYR CB C 92 37.283 37.839 -0.556 1
1 1119 . 3 1 1 A 93 93 LYS H H 93 7.405 7.603 -0.198 1
1 1120 . 3 1 1 A 93 93 LYS HA H 93 3.749 3.879 -0.130 1
1 1129 . 3 1 1 A 93 93 LYS C C 93 177.715 177.236 0.479 1
1 1130 . 3 1 1 A 93 93 LYS CA C 93 58.446 58.803 -0.357 1
1 1131 . 3 1 1 A 93 93 LYS CB C 93 31.822 31.892 -0.070 1
1 1135 . 3 1 1 A 93 93 LYS N N 93 120.689 118.171 2.518 1
1 1136 . 3 1 1 A 94 94 LYS H H 94 7.405 7.790 -0.385 1
1 1137 . 3 1 1 A 94 94 LYS HA H 94 4.079 4.393 -0.314 1
1 1146 . 3 1 1 A 94 94 LYS C C 94 176.709 175.482 1.227 1
1 1147 . 3 1 1 A 94 94 LYS CA C 94 56.479 55.720 0.759 1
1 1148 . 3 1 1 A 94 94 LYS CB C 94 32.760 30.405 2.355 1
1 1152 . 3 1 1 A 94 94 LYS N N 94 115.712 117.413 -1.701 1
1 1153 . 3 1 1 A 95 95 CYS H H 95 7.537 8.054 -0.517 1
1 1154 . 3 1 1 A 95 95 CYS HA H 95 3.937 4.780 -0.843 1
1 1157 . 3 1 1 A 95 95 CYS C C 95 173.487 175.518 -2.031 1
1 1158 . 3 1 1 A 95 95 CYS CA C 95 61.795 58.021 3.774 1
1 1159 . 3 1 1 A 95 95 CYS CB C 95 27.546 27.646 -0.100 1
1 1160 . 3 1 1 A 95 95 CYS N N 95 115.586 119.235 -3.649 1
1 1161 . 3 1 1 A 96 96 VAL HA H 96 4.154 4.039 0.115 1
1 1169 . 3 1 1 A 96 96 VAL C C 96 175.216 175.181 0.035 1
1 1170 . 3 1 1 A 96 96 VAL CA C 96 61.916 63.901 -1.985 1
1 1171 . 3 1 1 A 96 96 VAL CB C 96 31.695 32.276 -0.581 1
1 1174 . 3 1 1 A 97 97 LEU H H 97 8.002 7.564 0.438 1
1 1175 . 3 1 1 A 97 97 LEU HA H 97 4.316 4.918 -0.602 1
1 1185 . 3 1 1 A 97 97 LEU C C 97 176.168 175.460 0.708 1
1 1186 . 3 1 1 A 97 97 LEU CA C 97 54.770 53.540 1.230 1
1 1187 . 3 1 1 A 97 97 LEU CB C 97 42.558 45.999 -3.441 1
1 1191 . 3 1 1 A 97 97 LEU N N 97 124.364 118.859 5.505 1
1 1192 . 3 1 1 A 98 98 GLU H H 98 8.345 8.690 -0.345 1
1 1193 . 3 1 1 A 98 98 GLU HA H 98 4.301 4.281 0.020 1
1 1198 . 3 1 1 A 98 98 GLU C C 98 175.732 176.442 -0.710 1
1 1199 . 3 1 1 A 98 98 GLU CA C 98 55.988 54.572 1.416 1
1 1200 . 3 1 1 A 98 98 GLU CB C 98 30.989 31.040 -0.051 1
1 1 . 4 1 1 A 2 2 ALA HA H 2 4.102 4.309 -0.207 1
1 5 . 4 1 1 A 2 2 ALA CA C 2 51.775 52.163 -0.388 1
1 6 . 4 1 1 A 2 2 ALA CB C 2 19.665 19.297 0.368 1
1 7 . 4 1 1 A 3 3 LYS HA H 3 4.329 4.116 0.213 1
1 15 . 4 1 1 A 3 3 LYS C C 3 176.086 177.258 -1.172 1
1 16 . 4 1 1 A 3 3 LYS CA C 3 56.354 58.299 -1.945 1
1 17 . 4 1 1 A 3 3 LYS CB C 3 33.325 32.711 0.614 1
1 21 . 4 1 1 A 4 4 ALA H H 4 8.515 7.544 0.971 1
1 22 . 4 1 1 A 4 4 ALA HA H 4 4.356 4.251 0.105 1
1 26 . 4 1 1 A 4 4 ALA C C 4 177.307 177.350 -0.043 1
1 27 . 4 1 1 A 4 4 ALA CA C 4 52.316 52.995 -0.679 1
1 28 . 4 1 1 A 4 4 ALA CB C 4 19.421 19.240 0.181 1
1 29 . 4 1 1 A 4 4 ALA N N 4 126.866 121.743 5.123 1
1 30 . 4 1 1 A 5 5 GLN H H 5 8.521 8.495 0.026 1
1 31 . 4 1 1 A 5 5 GLN HA H 5 4.652 4.737 -0.085 1
1 38 . 4 1 1 A 5 5 GLN C C 5 173.576 173.365 0.211 1
1 39 . 4 1 1 A 5 5 GLN CA C 5 53.470 52.158 1.312 1
1 40 . 4 1 1 A 5 5 GLN CB C 5 29.457 29.971 -0.514 1
1 42 . 4 1 1 A 5 5 GLN N N 5 122.182 120.379 1.803 1
1 44 . 4 1 1 A 6 6 PRO HA H 6 4.587 4.525 0.062 1
1 51 . 4 1 1 A 6 6 PRO C C 6 176.481 176.234 0.247 1
1 52 . 4 1 1 A 6 6 PRO CA C 6 63.028 62.735 0.293 1
1 53 . 4 1 1 A 6 6 PRO CB C 6 32.905 31.958 0.947 1
1 56 . 4 1 1 A 7 7 ILE H H 7 8.581 8.585 -0.004 1
1 57 . 4 1 1 A 7 7 ILE HA H 7 4.245 4.351 -0.106 1
1 67 . 4 1 1 A 7 7 ILE C C 7 174.129 174.658 -0.529 1
1 68 . 4 1 1 A 7 7 ILE CA C 7 60.613 60.770 -0.157 1
1 69 . 4 1 1 A 7 7 ILE CB C 7 40.266 37.381 2.885 1
1 73 . 4 1 1 A 7 7 ILE N N 7 120.418 123.064 -2.646 1
1 74 . 4 1 1 A 8 8 GLU H H 8 8.572 9.001 -0.429 1
1 75 . 4 1 1 A 8 8 GLU HA H 8 5.363 5.036 0.327 1
1 80 . 4 1 1 A 8 8 GLU C C 8 175.806 175.374 0.432 1
1 81 . 4 1 1 A 8 8 GLU CA C 8 54.749 55.038 -0.289 1
1 82 . 4 1 1 A 8 8 GLU CB C 8 31.505 31.567 -0.062 1
1 84 . 4 1 1 A 8 8 GLU N N 8 128.440 128.498 -0.058 1
1 85 . 4 1 1 A 9 9 ILE H H 9 8.591 8.924 -0.333 1
1 86 . 4 1 1 A 9 9 ILE HA H 9 4.111 4.422 -0.311 1
1 96 . 4 1 1 A 9 9 ILE C C 9 174.977 176.138 -1.161 1
1 97 . 4 1 1 A 9 9 ILE CA C 9 60.967 60.223 0.744 1
1 98 . 4 1 1 A 9 9 ILE CB C 9 41.559 40.007 1.552 1
1 102 . 4 1 1 A 9 9 ILE N N 9 123.957 127.502 -3.545 1
1 103 . 4 1 1 A 10 10 ALA H H 10 9.398 9.131 0.267 1
1 104 . 4 1 1 A 10 10 ALA HA H 10 4.072 4.047 0.025 1
1 108 . 4 1 1 A 10 10 ALA C C 10 177.026 177.094 -0.068 1
1 109 . 4 1 1 A 10 10 ALA CA C 10 52.646 53.381 -0.735 1
1 110 . 4 1 1 A 10 10 ALA CB C 10 18.121 17.989 0.132 1
1 111 . 4 1 1 A 10 10 ALA N N 10 130.074 131.923 -1.849 1
1 112 . 4 1 1 A 11 11 GLY H H 11 8.958 8.524 0.434 1
1 113 . 4 1 1 A 11 11 GLY HA2 H 11 4.046 3.617 0.429 1
1 114 . 4 1 1 A 11 11 GLY HA3 H 11 3.570 3.684 -0.114 1
1 115 . 4 1 1 A 11 11 GLY C C 11 174.139 173.664 0.475 1
1 116 . 4 1 1 A 11 11 GLY CA C 11 45.467 45.349 0.118 1
1 117 . 4 1 1 A 11 11 GLY N N 11 105.460 102.748 2.712 1
1 118 . 4 1 1 A 12 12 HIS H H 12 8.189 7.981 0.208 1
1 119 . 4 1 1 A 12 12 HIS HA H 12 4.325 4.322 0.003 1
1 124 . 4 1 1 A 12 12 HIS C C 12 173.060 174.279 -1.219 1
1 125 . 4 1 1 A 12 12 HIS CA C 12 54.628 55.590 -0.962 1
1 126 . 4 1 1 A 12 12 HIS CB C 12 30.432 30.344 0.088 1
1 129 . 4 1 1 A 12 12 HIS N N 12 120.216 118.804 1.412 1
1 130 . 4 1 1 A 13 13 GLU H H 13 8.338 8.799 -0.461 1
1 131 . 4 1 1 A 13 13 GLU HA H 13 4.659 4.604 0.055 1
1 136 . 4 1 1 A 13 13 GLU C C 13 175.231 175.279 -0.048 1
1 137 . 4 1 1 A 13 13 GLU CA C 13 55.147 55.333 -0.186 1
1 138 . 4 1 1 A 13 13 GLU CB C 13 31.218 31.181 0.037 1
1 140 . 4 1 1 A 13 13 GLU N N 13 122.925 123.742 -0.817 1
1 141 . 4 1 1 A 14 14 PHE H H 14 9.117 9.455 -0.338 1
1 142 . 4 1 1 A 14 14 PHE HA H 14 4.941 5.079 -0.138 1
1 150 . 4 1 1 A 14 14 PHE C C 14 175.179 176.081 -0.902 1
1 151 . 4 1 1 A 14 14 PHE CA C 14 56.302 56.353 -0.051 1
1 152 . 4 1 1 A 14 14 PHE CB C 14 41.499 40.949 0.550 1
1 158 . 4 1 1 A 14 14 PHE N N 14 123.141 122.508 0.633 1
1 159 . 4 1 1 A 15 15 ALA H H 15 9.393 8.718 0.675 1
1 160 . 4 1 1 A 15 15 ALA HA H 15 4.130 4.361 -0.231 1
1 164 . 4 1 1 A 15 15 ALA C C 15 177.675 177.124 0.551 1
1 165 . 4 1 1 A 15 15 ALA CA C 15 54.880 52.965 1.915 1
1 166 . 4 1 1 A 15 15 ALA CB C 15 18.986 19.305 -0.319 1
1 167 . 4 1 1 A 15 15 ALA N N 15 126.102 126.876 -0.774 1
1 168 . 4 1 1 A 16 16 ARG H H 16 7.756 7.551 0.205 1
1 169 . 4 1 1 A 16 16 ARG HA H 16 4.809 4.630 0.179 1
1 176 . 4 1 1 A 16 16 ARG C C 16 177.344 176.142 1.202 1
1 177 . 4 1 1 A 16 16 ARG CA C 16 53.409 54.954 -1.545 1
1 178 . 4 1 1 A 16 16 ARG CB C 16 33.323 32.055 1.268 1
1 181 . 4 1 1 A 16 16 ARG N N 16 110.189 115.291 -5.102 1
1 182 . 4 1 1 A 17 17 LYS H H 17 9.303 8.757 0.546 1
1 183 . 4 1 1 A 17 17 LYS HA H 17 3.742 3.899 -0.157 1
1 192 . 4 1 1 A 17 17 LYS C C 17 178.667 177.793 0.874 1
1 193 . 4 1 1 A 17 17 LYS CA C 17 60.663 59.398 1.265 1
1 194 . 4 1 1 A 17 17 LYS CB C 17 32.005 32.049 -0.044 1
1 198 . 4 1 1 A 17 17 LYS N N 17 125.242 120.877 4.365 1
1 199 . 4 1 1 A 18 18 ALA H H 18 8.777 8.184 0.593 1
1 200 . 4 1 1 A 18 18 ALA HA H 18 4.046 4.072 -0.026 1
1 204 . 4 1 1 A 18 18 ALA C C 18 180.134 179.122 1.012 1
1 205 . 4 1 1 A 18 18 ALA CA C 18 55.181 55.059 0.122 1
1 206 . 4 1 1 A 18 18 ALA CB C 18 18.633 18.130 0.503 1
1 207 . 4 1 1 A 18 18 ALA N N 18 118.670 120.815 -2.145 1
1 208 . 4 1 1 A 19 19 ASP H H 19 7.454 8.355 -0.901 1
1 209 . 4 1 1 A 19 19 ASP HA H 19 4.586 4.411 0.175 1
1 212 . 4 1 1 A 19 19 ASP C C 19 178.469 177.981 0.488 1
1 213 . 4 1 1 A 19 19 ASP CA C 19 57.082 57.178 -0.096 1
1 214 . 4 1 1 A 19 19 ASP CB C 19 41.304 41.719 -0.415 1
1 215 . 4 1 1 A 19 19 ASP N N 19 117.020 118.644 -1.624 1
1 216 . 4 1 1 A 20 20 ALA H H 20 7.123 7.079 0.044 1
1 217 . 4 1 1 A 20 20 ALA HA H 20 2.604 2.934 -0.330 1
1 221 . 4 1 1 A 20 20 ALA C C 20 178.706 179.872 -1.166 1
1 222 . 4 1 1 A 20 20 ALA CA C 20 54.453 54.510 -0.057 1
1 223 . 4 1 1 A 20 20 ALA CB C 20 18.199 18.167 0.032 1
1 224 . 4 1 1 A 20 20 ALA N N 20 124.691 121.765 2.926 1
1 225 . 4 1 1 A 21 21 LEU H H 21 7.871 7.883 -0.012 1
1 226 . 4 1 1 A 21 21 LEU HA H 21 4.008 4.055 -0.047 1
1 236 . 4 1 1 A 21 21 LEU C C 21 179.041 179.166 -0.125 1
1 237 . 4 1 1 A 21 21 LEU CA C 21 58.398 58.567 -0.169 1
1 238 . 4 1 1 A 21 21 LEU CB C 21 41.382 41.085 0.297 1
1 242 . 4 1 1 A 21 21 LEU N N 21 116.889 118.572 -1.683 1
1 243 . 4 1 1 A 22 22 ALA H H 22 7.972 8.174 -0.202 1
1 244 . 4 1 1 A 22 22 ALA HA H 22 4.158 4.127 0.031 1
1 248 . 4 1 1 A 22 22 ALA C C 22 179.288 179.208 0.080 1
1 249 . 4 1 1 A 22 22 ALA CA C 22 55.180 55.205 -0.025 1
1 250 . 4 1 1 A 22 22 ALA CB C 22 18.013 18.266 -0.253 1
1 251 . 4 1 1 A 22 22 ALA N N 22 121.219 122.260 -1.041 1
1 252 . 4 1 1 A 23 23 PHE H H 23 7.546 8.679 -1.133 1
1 253 . 4 1 1 A 23 23 PHE HA H 23 4.081 3.939 0.142 1
1 261 . 4 1 1 A 23 23 PHE C C 23 178.515 177.011 1.504 1
1 262 . 4 1 1 A 23 23 PHE CA C 23 61.520 61.770 -0.250 1
1 263 . 4 1 1 A 23 23 PHE CB C 23 40.296 39.200 1.096 1
1 269 . 4 1 1 A 23 23 PHE N N 23 119.034 119.352 -0.318 1
1 270 . 4 1 1 A 24 24 MET H H 24 7.595 8.185 -0.590 1
1 271 . 4 1 1 A 24 24 MET HA H 24 3.768 3.956 -0.188 1
1 279 . 4 1 1 A 24 24 MET C C 24 176.037 178.423 -2.386 1
1 280 . 4 1 1 A 24 24 MET CA C 24 59.901 59.122 0.779 1
1 281 . 4 1 1 A 24 24 MET CB C 24 34.008 32.742 1.266 1
1 284 . 4 1 1 A 24 24 MET N N 24 118.377 117.100 1.277 1
1 285 . 4 1 1 A 25 25 LYS H H 25 8.131 8.108 0.023 1
1 286 . 4 1 1 A 25 25 LYS HA H 25 3.747 4.014 -0.267 1
1 295 . 4 1 1 A 25 25 LYS C C 25 178.865 178.439 0.426 1
1 296 . 4 1 1 A 25 25 LYS CA C 25 59.994 59.450 0.544 1
1 297 . 4 1 1 A 25 25 LYS CB C 25 32.365 32.296 0.069 1
1 301 . 4 1 1 A 25 25 LYS N N 25 121.901 120.326 1.575 1
1 302 . 4 1 1 A 26 26 VAL H H 26 7.986 8.257 -0.271 1
1 303 . 4 1 1 A 26 26 VAL HA H 26 3.515 3.513 0.002 1
1 311 . 4 1 1 A 26 26 VAL C C 26 178.654 177.925 0.729 1
1 312 . 4 1 1 A 26 26 VAL CA C 26 66.337 66.510 -0.173 1
1 313 . 4 1 1 A 26 26 VAL CB C 26 31.302 31.529 -0.227 1
1 316 . 4 1 1 A 26 26 VAL N N 26 119.393 119.940 -0.547 1
1 317 . 4 1 1 A 27 27 MET H H 27 7.232 7.946 -0.714 1
1 318 . 4 1 1 A 27 27 MET HA H 27 3.586 4.066 -0.480 1
1 326 . 4 1 1 A 27 27 MET C C 27 177.564 178.270 -0.706 1
1 327 . 4 1 1 A 27 27 MET CA C 27 59.113 58.120 0.993 1
1 328 . 4 1 1 A 27 27 MET CB C 27 34.025 32.189 1.836 1
1 331 . 4 1 1 A 27 27 MET N N 27 119.647 119.421 0.226 1
1 332 . 4 1 1 A 28 28 LEU H H 28 8.201 8.048 0.153 1
1 333 . 4 1 1 A 28 28 LEU HA H 28 3.733 3.952 -0.219 1
1 343 . 4 1 1 A 28 28 LEU C C 28 178.075 178.668 -0.593 1
1 344 . 4 1 1 A 28 28 LEU CA C 28 57.980 58.054 -0.074 1
1 345 . 4 1 1 A 28 28 LEU CB C 28 41.151 41.488 -0.337 1
1 349 . 4 1 1 A 28 28 LEU N N 28 118.420 123.972 -5.552 1
1 350 . 4 1 1 A 29 29 ASN H H 29 7.579 7.884 -0.305 1
1 351 . 4 1 1 A 29 29 ASN HA H 29 4.512 4.878 -0.366 1
1 356 . 4 1 1 A 29 29 ASN C C 29 176.087 178.112 -2.025 1
1 357 . 4 1 1 A 29 29 ASN CA C 29 54.286 56.018 -1.732 1
1 358 . 4 1 1 A 29 29 ASN CB C 29 38.984 37.993 0.991 1
1 359 . 4 1 1 A 29 29 ASN N N 29 112.254 116.863 -4.609 1
1 361 . 4 1 1 A 30 30 ARG H H 30 7.621 7.922 -0.301 1
1 362 . 4 1 1 A 30 30 ARG HA H 30 4.169 3.966 0.203 1
1 369 . 4 1 1 A 30 30 ARG C C 30 175.926 176.222 -0.296 1
1 370 . 4 1 1 A 30 30 ARG CA C 30 57.482 58.804 -1.322 1
1 371 . 4 1 1 A 30 30 ARG CB C 30 30.404 29.925 0.479 1
1 374 . 4 1 1 A 30 30 ARG N N 30 118.878 119.021 -0.143 1
1 375 . 4 1 1 A 31 31 TYR H H 31 7.287 7.979 -0.692 1
1 376 . 4 1 1 A 31 31 TYR HA H 31 4.690 4.609 0.081 1
1 383 . 4 1 1 A 31 31 TYR C C 31 174.348 175.842 -1.494 1
1 384 . 4 1 1 A 31 31 TYR CA C 31 58.118 58.453 -0.335 1
1 385 . 4 1 1 A 31 31 TYR CB C 31 43.045 39.283 3.762 1
1 390 . 4 1 1 A 31 31 TYR N N 31 118.414 117.270 1.144 1
1 391 . 4 1 1 A 32 32 ARG H H 32 9.314 8.696 0.618 1
1 392 . 4 1 1 A 32 32 ARG HA H 32 4.913 4.383 0.530 1
1 399 . 4 1 1 A 32 32 ARG C C 32 173.525 176.106 -2.581 1
1 400 . 4 1 1 A 32 32 ARG CA C 32 52.775 54.939 -2.164 1
1 401 . 4 1 1 A 32 32 ARG CB C 32 30.292 29.675 0.617 1
1 404 . 4 1 1 A 32 32 ARG N N 32 121.876 124.351 -2.475 1
1 405 . 4 1 1 A 33 33 PRO HA H 33 3.870 4.395 -0.525 1
1 412 . 4 1 1 A 33 33 PRO C C 33 177.517 176.953 0.564 1
1 413 . 4 1 1 A 33 33 PRO CA C 33 64.332 63.731 0.601 1
1 414 . 4 1 1 A 33 33 PRO CB C 33 31.655 31.252 0.403 1
1 417 . 4 1 1 A 34 34 GLY H H 34 9.584 8.193 1.391 1
1 418 . 4 1 1 A 34 34 GLY HA2 H 34 4.422 4.048 0.374 1
1 419 . 4 1 1 A 34 34 GLY HA3 H 34 3.725 4.065 -0.340 1
1 420 . 4 1 1 A 34 34 GLY C C 34 174.605 173.136 1.469 1
1 421 . 4 1 1 A 34 34 GLY CA C 34 44.745 45.540 -0.795 1
1 422 . 4 1 1 A 34 34 GLY N N 34 115.669 106.767 8.902 1
1 423 . 4 1 1 A 35 35 ASP H H 35 8.252 7.864 0.388 1
1 424 . 4 1 1 A 35 35 ASP HA H 35 4.691 5.092 -0.401 1
1 427 . 4 1 1 A 35 35 ASP C C 35 175.279 175.020 0.259 1
1 428 . 4 1 1 A 35 35 ASP CA C 35 55.195 52.922 2.273 1
1 429 . 4 1 1 A 35 35 ASP CB C 35 42.301 43.660 -1.359 1
1 430 . 4 1 1 A 35 35 ASP N N 35 122.076 119.694 2.382 1
1 431 . 4 1 1 A 36 36 ILE H H 36 8.194 8.535 -0.341 1
1 432 . 4 1 1 A 36 36 ILE HA H 36 4.546 4.704 -0.158 1
1 442 . 4 1 1 A 36 36 ILE C C 36 176.709 176.429 0.280 1
1 443 . 4 1 1 A 36 36 ILE CA C 36 59.572 60.399 -0.827 1
1 444 . 4 1 1 A 36 36 ILE CB C 36 37.870 39.328 -1.458 1
1 448 . 4 1 1 A 36 36 ILE N N 36 120.260 120.759 -0.499 1
1 449 . 4 1 1 A 37 37 VAL H H 37 7.963 8.964 -1.001 1
1 450 . 4 1 1 A 37 37 VAL HA H 37 3.671 3.389 0.282 1
1 458 . 4 1 1 A 37 37 VAL C C 37 176.530 176.062 0.468 1
1 459 . 4 1 1 A 37 37 VAL CA C 37 62.969 62.229 0.740 1
1 460 . 4 1 1 A 37 37 VAL CB C 37 32.201 32.165 0.036 1
1 463 . 4 1 1 A 37 37 VAL N N 37 126.533 127.130 -0.597 1
1 464 . 4 1 1 A 38 38 SER H H 38 8.852 8.476 0.376 1
1 465 . 4 1 1 A 38 38 SER HA H 38 4.600 4.534 0.066 1
1 468 . 4 1 1 A 38 38 SER C C 38 174.950 175.789 -0.839 1
1 469 . 4 1 1 A 38 38 SER CA C 38 58.147 58.837 -0.690 1
1 470 . 4 1 1 A 38 38 SER CB C 38 65.224 64.295 0.929 1
1 471 . 4 1 1 A 38 38 SER N N 38 122.752 120.517 2.235 1
1 472 . 4 1 1 A 39 39 THR H H 39 8.870 8.833 0.037 1
1 473 . 4 1 1 A 39 39 THR HA H 39 4.153 4.039 0.114 1
1 478 . 4 1 1 A 39 39 THR C C 39 177.855 176.090 1.765 1
1 479 . 4 1 1 A 39 39 THR CA C 39 66.299 66.887 -0.588 1
1 480 . 4 1 1 A 39 39 THR CB C 39 68.559 68.926 -0.367 1
1 482 . 4 1 1 A 39 39 THR N N 39 116.391 118.667 -2.276 1
1 483 . 4 1 1 A 40 40 VAL H H 40 8.018 8.154 -0.136 1
1 484 . 4 1 1 A 40 40 VAL HA H 40 4.028 3.661 0.367 1
1 492 . 4 1 1 A 40 40 VAL C C 40 178.339 177.312 1.027 1
1 493 . 4 1 1 A 40 40 VAL CA C 40 65.776 66.707 -0.931 1
1 494 . 4 1 1 A 40 40 VAL CB C 40 32.139 31.428 0.711 1
1 497 . 4 1 1 A 40 40 VAL N N 40 121.035 121.761 -0.726 1
1 498 . 4 1 1 A 41 41 ASP H H 41 7.610 8.796 -1.186 1
1 499 . 4 1 1 A 41 41 ASP HA H 41 4.570 4.434 0.136 1
1 502 . 4 1 1 A 41 41 ASP C C 41 178.746 179.971 -1.225 1
1 503 . 4 1 1 A 41 41 ASP CA C 41 57.492 56.945 0.547 1
1 504 . 4 1 1 A 41 41 ASP CB C 41 39.740 40.038 -0.298 1
1 505 . 4 1 1 A 41 41 ASP N N 41 124.108 119.571 4.537 1
1 506 . 4 1 1 A 42 42 GLY H H 42 9.363 8.506 0.857 1
1 507 . 4 1 1 A 42 42 GLY HA2 H 42 4.186 3.379 0.807 1
1 508 . 4 1 1 A 42 42 GLY HA3 H 42 3.584 3.795 -0.211 1
1 509 . 4 1 1 A 42 42 GLY C C 42 175.329 176.311 -0.982 1
1 510 . 4 1 1 A 42 42 GLY CA C 42 46.944 46.976 -0.032 1
1 511 . 4 1 1 A 42 42 GLY N N 42 109.572 108.981 0.591 1
1 512 . 4 1 1 A 43 43 ALA H H 43 7.949 8.280 -0.331 1
1 513 . 4 1 1 A 43 43 ALA HA H 43 4.240 4.053 0.187 1
1 517 . 4 1 1 A 43 43 ALA C C 43 180.375 179.637 0.738 1
1 518 . 4 1 1 A 43 43 ALA CA C 43 54.897 54.762 0.135 1
1 519 . 4 1 1 A 43 43 ALA CB C 43 17.895 18.342 -0.447 1
1 520 . 4 1 1 A 43 43 ALA N N 43 123.561 124.637 -1.076 1
1 521 . 4 1 1 A 44 44 PHE H H 44 7.337 7.915 -0.578 1
1 522 . 4 1 1 A 44 44 PHE HA H 44 3.957 4.270 -0.313 1
1 530 . 4 1 1 A 44 44 PHE C C 44 177.252 176.935 0.317 1
1 531 . 4 1 1 A 44 44 PHE CA C 44 61.508 61.342 0.166 1
1 532 . 4 1 1 A 44 44 PHE CB C 44 38.993 39.063 -0.070 1
1 538 . 4 1 1 A 44 44 PHE N N 44 118.542 120.280 -1.738 1
1 539 . 4 1 1 A 45 45 LEU H H 45 8.301 7.996 0.305 1
1 540 . 4 1 1 A 45 45 LEU HA H 45 3.741 3.746 -0.005 1
1 550 . 4 1 1 A 45 45 LEU C C 45 178.847 178.766 0.081 1
1 551 . 4 1 1 A 45 45 LEU CA C 45 57.643 57.862 -0.219 1
1 552 . 4 1 1 A 45 45 LEU CB C 45 41.274 40.881 0.393 1
1 556 . 4 1 1 A 45 45 LEU N N 45 119.345 119.709 -0.364 1
1 557 . 4 1 1 A 46 46 VAL H H 46 8.562 7.991 0.571 1
1 558 . 4 1 1 A 46 46 VAL HA H 46 3.759 3.490 0.269 1
1 566 . 4 1 1 A 46 46 VAL C C 46 177.077 177.233 -0.156 1
1 567 . 4 1 1 A 46 46 VAL CA C 46 67.081 67.020 0.061 1
1 568 . 4 1 1 A 46 46 VAL CB C 46 31.639 31.274 0.365 1
1 571 . 4 1 1 A 46 46 VAL N N 46 118.458 118.772 -0.314 1
1 572 . 4 1 1 A 47 47 GLU H H 47 6.896 7.984 -1.088 1
1 573 . 4 1 1 A 47 47 GLU HA H 47 4.019 3.996 0.023 1
1 578 . 4 1 1 A 47 47 GLU C C 47 179.738 179.167 0.571 1
1 579 . 4 1 1 A 47 47 GLU CA C 47 58.582 59.158 -0.576 1
1 580 . 4 1 1 A 47 47 GLU CB C 47 29.029 29.769 -0.740 1
1 582 . 4 1 1 A 47 47 GLU N N 47 117.916 119.703 -1.787 1
1 583 . 4 1 1 A 48 48 ALA H H 48 8.310 8.017 0.293 1
1 584 . 4 1 1 A 48 48 ALA HA H 48 3.761 4.059 -0.298 1
1 588 . 4 1 1 A 48 48 ALA C C 48 179.636 179.072 0.564 1
1 589 . 4 1 1 A 48 48 ALA CA C 48 55.769 54.900 0.869 1
1 590 . 4 1 1 A 48 48 ALA CB C 48 17.370 18.238 -0.868 1
1 591 . 4 1 1 A 48 48 ALA N N 48 123.600 122.315 1.285 1
1 592 . 4 1 1 A 49 49 LEU H H 49 8.724 8.055 0.669 1
1 593 . 4 1 1 A 49 49 LEU HA H 49 3.924 4.138 -0.214 1
1 603 . 4 1 1 A 49 49 LEU C C 49 178.188 178.804 -0.616 1
1 604 . 4 1 1 A 49 49 LEU CA C 49 57.387 57.302 0.085 1
1 605 . 4 1 1 A 49 49 LEU CB C 49 41.780 41.287 0.493 1
1 609 . 4 1 1 A 49 49 LEU N N 49 119.812 120.343 -0.531 1
1 610 . 4 1 1 A 50 50 LYS H H 50 7.421 8.262 -0.841 1
1 611 . 4 1 1 A 50 50 LYS HA H 50 3.856 3.831 0.025 1
1 620 . 4 1 1 A 50 50 LYS C C 50 177.592 178.769 -1.177 1
1 621 . 4 1 1 A 50 50 LYS CA C 50 59.345 60.285 -0.940 1
1 622 . 4 1 1 A 50 50 LYS CB C 50 32.757 32.145 0.612 1
1 626 . 4 1 1 A 50 50 LYS N N 50 115.568 118.818 -3.250 1
1 627 . 4 1 1 A 51 51 ARG H H 51 7.787 7.931 -0.144 1
1 628 . 4 1 1 A 51 51 ARG HA H 51 4.356 4.188 0.168 1
1 635 . 4 1 1 A 51 51 ARG C C 51 176.424 175.144 1.280 1
1 636 . 4 1 1 A 51 51 ARG CA C 51 55.690 57.223 -1.533 1
1 637 . 4 1 1 A 51 51 ARG CB C 51 30.227 29.555 0.672 1
1 640 . 4 1 1 A 51 51 ARG N N 51 115.686 116.121 -0.435 1
1 641 . 4 1 1 A 52 52 HIS H H 52 8.159 7.701 0.458 1
1 642 . 4 1 1 A 52 52 HIS HA H 52 4.512 4.906 -0.394 1
1 646 . 4 1 1 A 52 52 HIS C C 52 175.409 174.883 0.526 1
1 647 . 4 1 1 A 52 52 HIS CA C 52 56.087 53.790 2.297 1
1 648 . 4 1 1 A 52 52 HIS CB C 52 32.904 31.152 1.752 1
1 650 . 4 1 1 A 52 52 HIS N N 52 125.025 118.639 6.386 1
1 651 . 4 1 1 A 53 53 PRO HA H 53 4.341 4.260 0.081 1
1 658 . 4 1 1 A 53 53 PRO CA C 53 65.210 65.051 0.159 1
1 659 . 4 1 1 A 53 53 PRO CB C 53 31.791 31.945 -0.154 1
1 662 . 4 1 1 A 54 54 ASP H H 54 8.058 8.659 -0.601 1
1 663 . 4 1 1 A 54 54 ASP HA H 54 5.184 4.511 0.673 1
1 666 . 4 1 1 A 54 54 ASP C C 54 176.079 177.745 -1.666 1
1 667 . 4 1 1 A 54 54 ASP CA C 54 52.778 56.084 -3.306 1
1 668 . 4 1 1 A 54 54 ASP CB C 54 41.573 40.486 1.087 1
1 669 . 4 1 1 A 55 55 ALA H H 55 7.731 8.279 -0.548 1
1 670 . 4 1 1 A 55 55 ALA HA H 55 3.589 4.044 -0.455 1
1 674 . 4 1 1 A 55 55 ALA C C 55 178.550 179.997 -1.447 1
1 675 . 4 1 1 A 55 55 ALA CA C 55 57.024 55.265 1.759 1
1 676 . 4 1 1 A 55 55 ALA CB C 55 20.320 18.597 1.723 1
1 677 . 4 1 1 A 55 55 ALA N N 55 122.261 122.472 -0.211 1
1 678 . 4 1 1 A 56 56 THR H H 56 8.405 8.195 0.210 1
1 679 . 4 1 1 A 56 56 THR HA H 56 3.804 3.922 -0.118 1
1 684 . 4 1 1 A 56 56 THR C C 56 177.743 176.801 0.942 1
1 685 . 4 1 1 A 56 56 THR CA C 56 67.024 65.392 1.632 1
1 686 . 4 1 1 A 56 56 THR CB C 56 68.257 68.919 -0.662 1
1 688 . 4 1 1 A 56 56 THR N N 56 110.600 113.569 -2.969 1
1 689 . 4 1 1 A 57 57 SER H H 57 7.907 8.140 -0.233 1
1 690 . 4 1 1 A 57 57 SER HA H 57 4.251 4.240 0.011 1
1 693 . 4 1 1 A 57 57 SER C C 57 176.547 177.013 -0.466 1
1 694 . 4 1 1 A 57 57 SER CA C 57 60.395 61.217 -0.822 1
1 695 . 4 1 1 A 57 57 SER CB C 57 62.766 62.538 0.228 1
1 696 . 4 1 1 A 57 57 SER N N 57 117.623 115.476 2.147 1
1 697 . 4 1 1 A 58 58 LYS H H 58 8.180 7.325 0.855 1
1 698 . 4 1 1 A 58 58 LYS HA H 58 3.687 4.162 -0.475 1
1 707 . 4 1 1 A 58 58 LYS C C 58 178.074 179.377 -1.303 1
1 708 . 4 1 1 A 58 58 LYS CA C 58 58.090 58.161 -0.071 1
1 709 . 4 1 1 A 58 58 LYS CB C 58 32.328 32.484 -0.156 1
1 713 . 4 1 1 A 58 58 LYS N N 58 120.772 121.163 -0.391 1
1 714 . 4 1 1 A 59 59 ILE H H 59 8.407 7.981 0.426 1
1 715 . 4 1 1 A 59 59 ILE HA H 59 3.336 3.832 -0.496 1
1 725 . 4 1 1 A 59 59 ILE C C 59 176.705 176.881 -0.176 1
1 726 . 4 1 1 A 59 59 ILE CA C 59 64.224 63.256 0.968 1
1 727 . 4 1 1 A 59 59 ILE CB C 59 38.989 38.640 0.349 1
1 731 . 4 1 1 A 59 59 ILE N N 59 119.024 119.527 -0.503 1
1 732 . 4 1 1 A 60 60 GLY H H 60 7.360 8.042 -0.682 1
1 733 . 4 1 1 A 60 60 GLY HA2 H 60 3.884 3.902 -0.018 1
1 734 . 4 1 1 A 60 60 GLY HA3 H 60 3.614 3.905 -0.291 1
1 735 . 4 1 1 A 60 60 GLY C C 60 173.964 174.726 -0.762 1
1 736 . 4 1 1 A 60 60 GLY CA C 60 44.586 45.885 -1.299 1
1 737 . 4 1 1 A 60 60 GLY N N 60 106.081 110.182 -4.101 1
1 738 . 4 1 1 A 61 61 PRO HA H 61 4.486 4.437 0.049 1
1 745 . 4 1 1 A 61 61 PRO C C 61 175.603 176.221 -0.618 1
1 746 . 4 1 1 A 61 61 PRO CA C 61 63.473 63.936 -0.463 1
1 747 . 4 1 1 A 61 61 PRO CB C 61 31.981 32.078 -0.097 1
1 750 . 4 1 1 A 62 62 GLY H H 62 7.835 6.977 0.858 1
1 751 . 4 1 1 A 62 62 GLY HA2 H 62 4.378 3.986 0.392 1
1 752 . 4 1 1 A 62 62 GLY HA3 H 62 3.416 3.988 -0.572 1
1 753 . 4 1 1 A 62 62 GLY C C 62 172.596 171.752 0.844 1
1 754 . 4 1 1 A 62 62 GLY CA C 62 44.498 45.460 -0.962 1
1 755 . 4 1 1 A 62 62 GLY N N 62 110.214 105.940 4.274 1
1 756 . 4 1 1 A 63 63 VAL H H 63 8.646 8.755 -0.109 1
1 757 . 4 1 1 A 63 63 VAL HA H 63 3.668 4.101 -0.433 1
1 765 . 4 1 1 A 63 63 VAL C C 63 175.808 175.922 -0.114 1
1 766 . 4 1 1 A 63 63 VAL CA C 63 63.681 62.320 1.361 1
1 767 . 4 1 1 A 63 63 VAL CB C 63 32.863 31.553 1.310 1
1 770 . 4 1 1 A 63 63 VAL N N 63 122.735 120.902 1.833 1
1 771 . 4 1 1 A 64 64 ARG H H 64 9.524 9.168 0.356 1
1 772 . 4 1 1 A 64 64 ARG HA H 64 4.254 4.242 0.012 1
1 779 . 4 1 1 A 64 64 ARG C C 64 175.574 175.905 -0.331 1
1 780 . 4 1 1 A 64 64 ARG CA C 64 57.310 57.644 -0.334 1
1 781 . 4 1 1 A 64 64 ARG CB C 64 31.928 31.141 0.787 1
1 784 . 4 1 1 A 64 64 ARG N N 64 129.782 129.381 0.401 1
1 785 . 4 1 1 A 65 65 ASN H H 65 8.089 7.157 0.932 1
1 786 . 4 1 1 A 65 65 ASN HA H 65 4.662 4.955 -0.293 1
1 791 . 4 1 1 A 65 65 ASN C C 65 171.753 172.017 -0.264 1
1 792 . 4 1 1 A 65 65 ASN CA C 65 53.279 51.976 1.303 1
1 793 . 4 1 1 A 65 65 ASN CB C 65 43.717 39.822 3.895 1
1 794 . 4 1 1 A 65 65 ASN N N 65 114.163 111.985 2.178 1
1 796 . 4 1 1 A 66 66 PHE H H 66 9.064 8.684 0.380 1
1 797 . 4 1 1 A 66 66 PHE HA H 66 5.738 5.646 0.092 1
1 805 . 4 1 1 A 66 66 PHE C C 66 174.834 174.227 0.607 1
1 806 . 4 1 1 A 66 66 PHE CA C 66 56.578 56.581 -0.003 1
1 807 . 4 1 1 A 66 66 PHE CB C 66 41.888 42.192 -0.304 1
1 813 . 4 1 1 A 66 66 PHE N N 66 114.774 116.352 -1.578 1
1 814 . 4 1 1 A 67 67 GLU H H 67 9.328 9.382 -0.054 1
1 815 . 4 1 1 A 67 67 GLU HA H 67 5.307 5.170 0.137 1
1 820 . 4 1 1 A 67 67 GLU C C 67 174.999 175.092 -0.093 1
1 821 . 4 1 1 A 67 67 GLU CA C 67 54.003 54.711 -0.708 1
1 822 . 4 1 1 A 67 67 GLU CB C 67 35.678 33.488 2.190 1
1 824 . 4 1 1 A 67 67 GLU N N 67 122.005 123.618 -1.613 1
1 825 . 4 1 1 A 68 68 VAL H H 68 8.598 8.673 -0.075 1
1 826 . 4 1 1 A 68 68 VAL HA H 68 4.859 4.897 -0.038 1
1 834 . 4 1 1 A 68 68 VAL C C 68 175.361 175.465 -0.104 1
1 835 . 4 1 1 A 68 68 VAL CA C 68 62.102 61.118 0.984 1
1 836 . 4 1 1 A 68 68 VAL CB C 68 32.865 33.097 -0.232 1
1 839 . 4 1 1 A 68 68 VAL N N 68 124.692 126.787 -2.095 1
1 840 . 4 1 1 A 69 69 ARG H H 69 8.896 8.613 0.283 1
1 841 . 4 1 1 A 69 69 ARG HA H 69 4.888 5.100 -0.212 1
1 848 . 4 1 1 A 69 69 ARG C C 69 175.469 175.414 0.055 1
1 849 . 4 1 1 A 69 69 ARG CA C 69 54.384 53.818 0.566 1
1 850 . 4 1 1 A 69 69 ARG CB C 69 34.979 34.305 0.674 1
1 853 . 4 1 1 A 69 69 ARG N N 69 123.599 126.119 -2.520 1
1 854 . 4 1 1 A 70 70 SER H H 70 8.758 8.534 0.224 1
1 855 . 4 1 1 A 70 70 SER HA H 70 4.511 4.970 -0.459 1
1 858 . 4 1 1 A 70 70 SER C C 70 173.488 173.837 -0.349 1
1 859 . 4 1 1 A 70 70 SER CA C 70 59.858 57.004 2.854 1
1 860 . 4 1 1 A 70 70 SER CB C 70 63.927 66.275 -2.348 1
1 861 . 4 1 1 A 70 70 SER N N 70 116.239 113.836 2.403 1
1 862 . 4 1 1 A 71 71 ALA H H 71 8.456 8.784 -0.328 1
1 863 . 4 1 1 A 71 71 ALA HA H 71 4.688 4.484 0.204 1
1 867 . 4 1 1 A 71 71 ALA C C 71 176.054 176.126 -0.072 1
1 868 . 4 1 1 A 71 71 ALA CA C 71 51.016 53.192 -2.176 1
1 869 . 4 1 1 A 71 71 ALA CB C 71 20.324 19.818 0.506 1
1 870 . 4 1 1 A 71 71 ALA N N 71 128.999 122.902 6.097 1
1 871 . 4 1 1 A 72 72 ASP H H 72 7.968 8.474 -0.506 1
1 872 . 4 1 1 A 72 72 ASP HA H 72 4.361 4.776 -0.415 1
1 875 . 4 1 1 A 72 72 ASP C C 72 176.444 176.538 -0.094 1
1 876 . 4 1 1 A 72 72 ASP CA C 72 54.732 52.997 1.735 1
1 877 . 4 1 1 A 72 72 ASP CB C 72 41.060 42.485 -1.425 1
1 878 . 4 1 1 A 72 72 ASP N N 72 118.176 116.722 1.454 1
1 879 . 4 1 1 A 73 73 TYR H H 73 8.768 8.639 0.129 1
1 880 . 4 1 1 A 73 73 TYR HA H 73 4.309 4.282 0.027 1
1 887 . 4 1 1 A 73 73 TYR C C 73 176.601 177.448 -0.847 1
1 888 . 4 1 1 A 73 73 TYR CA C 73 58.799 60.277 -1.478 1
1 889 . 4 1 1 A 73 73 TYR CB C 73 36.239 37.778 -1.539 1
1 894 . 4 1 1 A 73 73 TYR N N 73 117.846 120.221 -2.375 1
1 895 . 4 1 1 A 74 74 GLY H H 74 8.533 7.729 0.804 1
1 896 . 4 1 1 A 74 74 GLY HA2 H 74 4.069 4.124 -0.055 1
1 897 . 4 1 1 A 74 74 GLY HA3 H 74 3.844 4.134 -0.290 1
1 898 . 4 1 1 A 74 74 GLY C C 74 175.060 174.132 0.928 1
1 899 . 4 1 1 A 74 74 GLY CA C 74 46.117 45.791 0.326 1
1 900 . 4 1 1 A 74 74 GLY N N 74 108.255 105.982 2.273 1
1 901 . 4 1 1 A 75 75 THR H H 75 7.534 7.621 -0.087 1
1 902 . 4 1 1 A 75 75 THR HA H 75 4.687 5.063 -0.376 1
1 907 . 4 1 1 A 75 75 THR C C 75 173.779 172.978 0.801 1
1 908 . 4 1 1 A 75 75 THR CA C 75 61.115 59.613 1.502 1
1 909 . 4 1 1 A 75 75 THR CB C 75 71.585 72.558 -0.973 1
1 911 . 4 1 1 A 75 75 THR N N 75 111.431 110.623 0.808 1
1 912 . 4 1 1 A 76 76 GLN H H 76 8.590 8.597 -0.007 1
1 913 . 4 1 1 A 76 76 GLN HA H 76 5.238 4.973 0.265 1
1 920 . 4 1 1 A 76 76 GLN C C 76 173.605 174.193 -0.588 1
1 921 . 4 1 1 A 76 76 GLN CA C 76 54.556 54.333 0.223 1
1 922 . 4 1 1 A 76 76 GLN CB C 76 31.657 31.981 -0.324 1
1 924 . 4 1 1 A 76 76 GLN N N 76 117.495 119.614 -2.119 1
1 926 . 4 1 1 A 77 77 CYS H H 77 9.058 8.719 0.339 1
1 927 . 4 1 1 A 77 77 CYS HA H 77 4.780 4.803 -0.023 1
1 930 . 4 1 1 A 77 77 CYS C C 77 172.371 173.327 -0.956 1
1 931 . 4 1 1 A 77 77 CYS CA C 77 56.886 58.014 -1.128 1
1 932 . 4 1 1 A 77 77 CYS CB C 77 31.492 31.477 0.015 1
1 933 . 4 1 1 A 77 77 CYS N N 77 114.572 118.808 -4.236 1
1 934 . 4 1 1 A 78 78 PHE H H 78 8.872 8.583 0.289 1
1 935 . 4 1 1 A 78 78 PHE HA H 78 5.419 5.369 0.050 1
1 943 . 4 1 1 A 78 78 PHE CA C 78 58.466 56.115 2.351 1
1 944 . 4 1 1 A 78 78 PHE CB C 78 42.360 40.525 1.835 1
1 950 . 4 1 1 A 78 78 PHE N N 78 120.396 121.363 -0.967 1
1 951 . 4 1 1 A 79 79 TRP H H 79 10.003 9.617 0.386 1
1 952 . 4 1 1 A 79 79 TRP HA H 79 4.907 5.304 -0.397 1
1 961 . 4 1 1 A 79 79 TRP CA C 79 57.535 56.023 1.512 1
1 962 . 4 1 1 A 79 79 TRP CB C 79 30.788 31.394 -0.606 1
1 968 . 4 1 1 A 79 79 TRP N N 79 120.993 123.476 -2.483 1
1 970 . 4 1 1 A 80 80 ILE H H 80 9.669 9.568 0.101 1
1 971 . 4 1 1 A 80 80 ILE HA H 80 3.773 4.307 -0.534 1
1 981 . 4 1 1 A 80 80 ILE C C 80 174.675 175.301 -0.626 1
1 982 . 4 1 1 A 80 80 ILE CA C 80 61.505 60.172 1.333 1
1 983 . 4 1 1 A 80 80 ILE CB C 80 40.765 38.563 2.202 1
1 987 . 4 1 1 A 80 80 ILE N N 80 122.205 124.110 -1.905 1
1 988 . 4 1 1 A 81 81 LEU H H 81 8.489 9.077 -0.588 1
1 989 . 4 1 1 A 81 81 LEU HA H 81 5.037 4.604 0.433 1
1 999 . 4 1 1 A 81 81 LEU C C 81 177.301 176.495 0.806 1
1 1000 . 4 1 1 A 81 81 LEU CA C 81 53.483 54.158 -0.675 1
1 1001 . 4 1 1 A 81 81 LEU CB C 81 40.344 41.416 -1.072 1
1 1005 . 4 1 1 A 81 81 LEU N N 81 127.849 128.637 -0.788 1
1 1006 . 4 1 1 A 82 82 ARG H H 82 8.980 9.080 -0.100 1
1 1007 . 4 1 1 A 82 82 ARG HA H 82 5.127 4.393 0.734 1
1 1014 . 4 1 1 A 82 82 ARG C C 82 179.527 177.513 2.014 1
1 1015 . 4 1 1 A 82 82 ARG CA C 82 57.410 56.036 1.374 1
1 1016 . 4 1 1 A 82 82 ARG CB C 82 31.995 30.986 1.009 1
1 1019 . 4 1 1 A 82 82 ARG N N 82 121.829 125.589 -3.760 1
1 1020 . 4 1 1 A 83 83 THR H H 83 8.427 8.740 -0.313 1
1 1021 . 4 1 1 A 83 83 THR HA H 83 3.823 4.088 -0.265 1
1 1026 . 4 1 1 A 83 83 THR C C 83 174.540 175.705 -1.165 1
1 1027 . 4 1 1 A 83 83 THR CA C 83 64.441 64.741 -0.300 1
1 1028 . 4 1 1 A 83 83 THR CB C 83 67.987 68.526 -0.539 1
1 1030 . 4 1 1 A 83 83 THR N N 83 111.631 117.091 -5.460 1
1 1031 . 4 1 1 A 84 84 ASP H H 84 7.431 7.846 -0.415 1
1 1032 . 4 1 1 A 84 84 ASP HA H 84 4.706 4.466 0.240 1
1 1035 . 4 1 1 A 84 84 ASP C C 84 177.092 176.493 0.599 1
1 1036 . 4 1 1 A 84 84 ASP CA C 84 52.983 54.629 -1.646 1
1 1037 . 4 1 1 A 84 84 ASP CB C 84 40.502 40.983 -0.481 1
1 1038 . 4 1 1 A 84 84 ASP N N 84 117.630 121.214 -3.584 1
1 1039 . 4 1 1 A 85 85 GLY H H 85 7.924 8.289 -0.365 1
1 1040 . 4 1 1 A 85 85 GLY HA2 H 85 3.741 3.976 -0.235 1
1 1041 . 4 1 1 A 85 85 GLY HA3 H 85 4.364 3.978 0.386 1
1 1042 . 4 1 1 A 85 85 GLY C C 85 174.007 173.642 0.365 1
1 1043 . 4 1 1 A 85 85 GLY CA C 85 45.370 45.369 0.001 1
1 1044 . 4 1 1 A 85 85 GLY N N 85 108.078 107.007 1.071 1
1 1045 . 4 1 1 A 86 86 SER H H 86 8.009 7.659 0.350 1
1 1046 . 4 1 1 A 86 86 SER HA H 86 4.563 5.097 -0.534 1
1 1049 . 4 1 1 A 86 86 SER C C 86 172.835 172.768 0.067 1
1 1050 . 4 1 1 A 86 86 SER CA C 86 58.731 56.424 2.307 1
1 1051 . 4 1 1 A 86 86 SER CB C 86 64.803 67.200 -2.397 1
1 1052 . 4 1 1 A 86 86 SER N N 86 117.029 111.895 5.134 1
1 1053 . 4 1 1 A 87 87 GLU H H 87 8.593 9.102 -0.509 1
1 1054 . 4 1 1 A 87 87 GLU HA H 87 5.921 5.705 0.216 1
1 1059 . 4 1 1 A 87 87 GLU C C 87 175.873 174.495 1.378 1
1 1060 . 4 1 1 A 87 87 GLU CA C 87 54.343 54.659 -0.316 1
1 1061 . 4 1 1 A 87 87 GLU CB C 87 33.925 34.044 -0.119 1
1 1063 . 4 1 1 A 87 87 GLU N N 87 116.585 119.017 -2.432 1
1 1064 . 4 1 1 A 88 88 GLU HA H 88 4.496 4.892 -0.396 1
1 1069 . 4 1 1 A 88 88 GLU CA C 88 55.840 55.844 -0.004 1
1 1070 . 4 1 1 A 88 88 GLU CB C 88 34.310 34.425 -0.115 1
1 1072 . 4 1 1 A 89 89 ARG H H 89 8.013 8.249 -0.236 1
1 1073 . 4 1 1 A 89 89 ARG HA H 89 3.184 4.749 -1.565 1
1 1080 . 4 1 1 A 89 89 ARG CA C 89 56.576 54.710 1.866 1
1 1081 . 4 1 1 A 89 89 ARG CB C 89 30.462 31.267 -0.805 1
1 1084 . 4 1 1 A 89 89 ARG N N 89 127.945 123.290 4.655 1
1 1085 . 4 1 1 A 90 90 PHE HA H 90 5.021 5.345 -0.324 1
1 1093 . 4 1 1 A 90 90 PHE CA C 90 55.089 55.515 -0.426 1
1 1094 . 4 1 1 A 90 90 PHE CB C 90 40.446 42.404 -1.958 1
1 1100 . 4 1 1 A 91 91 SER HA H 91 4.639 4.384 0.255 1
1 1103 . 4 1 1 A 91 91 SER CA C 91 56.242 57.528 -1.286 1
1 1104 . 4 1 1 A 91 91 SER CB C 91 62.621 61.063 1.558 1
1 1105 . 4 1 1 A 92 92 TYR HA H 92 4.268 4.379 -0.111 1
1 1112 . 4 1 1 A 92 92 TYR C C 92 176.450 177.452 -1.002 1
1 1113 . 4 1 1 A 92 92 TYR CA C 92 59.575 60.791 -1.216 1
1 1114 . 4 1 1 A 92 92 TYR CB C 92 37.283 37.777 -0.494 1
1 1119 . 4 1 1 A 93 93 LYS H H 93 7.405 7.840 -0.435 1
1 1120 . 4 1 1 A 93 93 LYS HA H 93 3.749 3.805 -0.056 1
1 1129 . 4 1 1 A 93 93 LYS C C 93 177.715 176.723 0.992 1
1 1130 . 4 1 1 A 93 93 LYS CA C 93 58.446 58.329 0.117 1
1 1131 . 4 1 1 A 93 93 LYS CB C 93 31.822 31.819 0.003 1
1 1135 . 4 1 1 A 93 93 LYS N N 93 120.689 118.310 2.379 1
1 1136 . 4 1 1 A 94 94 LYS H H 94 7.405 7.918 -0.513 1
1 1137 . 4 1 1 A 94 94 LYS HA H 94 4.079 4.526 -0.447 1
1 1146 . 4 1 1 A 94 94 LYS C C 94 176.709 176.228 0.481 1
1 1147 . 4 1 1 A 94 94 LYS CA C 94 56.479 54.602 1.877 1
1 1148 . 4 1 1 A 94 94 LYS CB C 94 32.760 31.422 1.338 1
1 1152 . 4 1 1 A 94 94 LYS N N 94 115.712 118.963 -3.251 1
1 1153 . 4 1 1 A 95 95 CYS H H 95 7.537 8.268 -0.731 1
1 1154 . 4 1 1 A 95 95 CYS HA H 95 3.937 4.821 -0.884 1
1 1157 . 4 1 1 A 95 95 CYS C C 95 173.487 174.135 -0.648 1
1 1158 . 4 1 1 A 95 95 CYS CA C 95 61.795 60.094 1.701 1
1 1159 . 4 1 1 A 95 95 CYS CB C 95 27.546 29.011 -1.465 1
1 1160 . 4 1 1 A 95 95 CYS N N 95 115.586 121.566 -5.980 1
1 1161 . 4 1 1 A 96 96 VAL HA H 96 4.154 4.072 0.082 1
1 1169 . 4 1 1 A 96 96 VAL C C 96 175.216 174.636 0.580 1
1 1170 . 4 1 1 A 96 96 VAL CA C 96 61.916 62.612 -0.696 1
1 1171 . 4 1 1 A 96 96 VAL CB C 96 31.695 30.444 1.251 1
1 1174 . 4 1 1 A 97 97 LEU H H 97 8.002 8.115 -0.113 1
1 1175 . 4 1 1 A 97 97 LEU HA H 97 4.316 4.997 -0.681 1
1 1185 . 4 1 1 A 97 97 LEU C C 97 176.168 176.119 0.049 1
1 1186 . 4 1 1 A 97 97 LEU CA C 97 54.770 53.772 0.998 1
1 1187 . 4 1 1 A 97 97 LEU CB C 97 42.558 45.651 -3.093 1
1 1191 . 4 1 1 A 97 97 LEU N N 97 124.364 127.364 -3.000 1
1 1192 . 4 1 1 A 98 98 GLU H H 98 8.345 9.003 -0.658 1
1 1193 . 4 1 1 A 98 98 GLU HA H 98 4.301 4.329 -0.028 1
1 1198 . 4 1 1 A 98 98 GLU C C 98 175.732 177.326 -1.594 1
1 1199 . 4 1 1 A 98 98 GLU CA C 98 55.988 57.857 -1.869 1
1 1200 . 4 1 1 A 98 98 GLU CB C 98 30.989 30.669 0.320 1
1 1 . 5 1 1 A 2 2 ALA HA H 2 4.102 4.433 -0.331 1
1 5 . 5 1 1 A 2 2 ALA CA C 2 51.775 52.145 -0.370 1
1 6 . 5 1 1 A 2 2 ALA CB C 2 19.665 18.959 0.706 1
1 7 . 5 1 1 A 3 3 LYS HA H 3 4.329 4.502 -0.173 1
1 15 . 5 1 1 A 3 3 LYS C C 3 176.086 175.255 0.831 1
1 16 . 5 1 1 A 3 3 LYS CA C 3 56.354 56.021 0.333 1
1 17 . 5 1 1 A 3 3 LYS CB C 3 33.325 32.430 0.895 1
1 21 . 5 1 1 A 4 4 ALA H H 4 8.515 7.588 0.927 1
1 22 . 5 1 1 A 4 4 ALA HA H 4 4.356 4.724 -0.368 1
1 26 . 5 1 1 A 4 4 ALA C C 4 177.307 176.427 0.880 1
1 27 . 5 1 1 A 4 4 ALA CA C 4 52.316 50.732 1.584 1
1 28 . 5 1 1 A 4 4 ALA CB C 4 19.421 22.566 -3.145 1
1 29 . 5 1 1 A 4 4 ALA N N 4 126.866 120.960 5.906 1
1 30 . 5 1 1 A 5 5 GLN H H 5 8.521 8.706 -0.185 1
1 31 . 5 1 1 A 5 5 GLN HA H 5 4.652 4.300 0.352 1
1 38 . 5 1 1 A 5 5 GLN C C 5 173.576 175.153 -1.577 1
1 39 . 5 1 1 A 5 5 GLN CA C 5 53.470 57.625 -4.155 1
1 40 . 5 1 1 A 5 5 GLN CB C 5 29.457 27.681 1.776 1
1 42 . 5 1 1 A 5 5 GLN N N 5 122.182 115.495 6.687 1
1 44 . 5 1 1 A 6 6 PRO HA H 6 4.587 4.495 0.092 1
1 51 . 5 1 1 A 6 6 PRO C C 6 176.481 176.239 0.242 1
1 52 . 5 1 1 A 6 6 PRO CA C 6 63.028 62.919 0.109 1
1 53 . 5 1 1 A 6 6 PRO CB C 6 32.905 31.967 0.938 1
1 56 . 5 1 1 A 7 7 ILE H H 7 8.581 8.489 0.092 1
1 57 . 5 1 1 A 7 7 ILE HA H 7 4.245 4.316 -0.071 1
1 67 . 5 1 1 A 7 7 ILE C C 7 174.129 174.740 -0.611 1
1 68 . 5 1 1 A 7 7 ILE CA C 7 60.613 60.730 -0.117 1
1 69 . 5 1 1 A 7 7 ILE CB C 7 40.266 36.686 3.580 1
1 73 . 5 1 1 A 7 7 ILE N N 7 120.418 123.545 -3.127 1
1 74 . 5 1 1 A 8 8 GLU H H 8 8.572 8.448 0.124 1
1 75 . 5 1 1 A 8 8 GLU HA H 8 5.363 5.195 0.168 1
1 80 . 5 1 1 A 8 8 GLU C C 8 175.806 175.529 0.277 1
1 81 . 5 1 1 A 8 8 GLU CA C 8 54.749 55.178 -0.429 1
1 82 . 5 1 1 A 8 8 GLU CB C 8 31.505 31.720 -0.215 1
1 84 . 5 1 1 A 8 8 GLU N N 8 128.440 128.466 -0.026 1
1 85 . 5 1 1 A 9 9 ILE H H 9 8.591 9.035 -0.444 1
1 86 . 5 1 1 A 9 9 ILE HA H 9 4.111 4.547 -0.436 1
1 96 . 5 1 1 A 9 9 ILE C C 9 174.977 176.262 -1.285 1
1 97 . 5 1 1 A 9 9 ILE CA C 9 60.967 60.096 0.871 1
1 98 . 5 1 1 A 9 9 ILE CB C 9 41.559 40.171 1.388 1
1 102 . 5 1 1 A 9 9 ILE N N 9 123.957 127.411 -3.454 1
1 103 . 5 1 1 A 10 10 ALA H H 10 9.398 9.214 0.184 1
1 104 . 5 1 1 A 10 10 ALA HA H 10 4.072 4.094 -0.022 1
1 108 . 5 1 1 A 10 10 ALA C C 10 177.026 177.161 -0.135 1
1 109 . 5 1 1 A 10 10 ALA CA C 10 52.646 53.416 -0.770 1
1 110 . 5 1 1 A 10 10 ALA CB C 10 18.121 18.073 0.048 1
1 111 . 5 1 1 A 10 10 ALA N N 10 130.074 131.978 -1.904 1
1 112 . 5 1 1 A 11 11 GLY H H 11 8.958 8.496 0.462 1
1 113 . 5 1 1 A 11 11 GLY HA2 H 11 4.046 3.663 0.383 1
1 114 . 5 1 1 A 11 11 GLY HA3 H 11 3.570 3.735 -0.165 1
1 115 . 5 1 1 A 11 11 GLY C C 11 174.139 173.766 0.373 1
1 116 . 5 1 1 A 11 11 GLY CA C 11 45.467 45.429 0.038 1
1 117 . 5 1 1 A 11 11 GLY N N 11 105.460 103.062 2.398 1
1 118 . 5 1 1 A 12 12 HIS H H 12 8.189 8.037 0.152 1
1 119 . 5 1 1 A 12 12 HIS HA H 12 4.325 4.210 0.115 1
1 124 . 5 1 1 A 12 12 HIS C C 12 173.060 174.085 -1.025 1
1 125 . 5 1 1 A 12 12 HIS CA C 12 54.628 55.910 -1.282 1
1 126 . 5 1 1 A 12 12 HIS CB C 12 30.432 29.456 0.976 1
1 129 . 5 1 1 A 12 12 HIS N N 12 120.216 118.888 1.328 1
1 130 . 5 1 1 A 13 13 GLU H H 13 8.338 8.424 -0.086 1
1 131 . 5 1 1 A 13 13 GLU HA H 13 4.659 4.484 0.175 1
1 136 . 5 1 1 A 13 13 GLU C C 13 175.231 175.595 -0.364 1
1 137 . 5 1 1 A 13 13 GLU CA C 13 55.147 55.721 -0.574 1
1 138 . 5 1 1 A 13 13 GLU CB C 13 31.218 30.170 1.048 1
1 140 . 5 1 1 A 13 13 GLU N N 13 122.925 123.274 -0.349 1
1 141 . 5 1 1 A 14 14 PHE H H 14 9.117 9.105 0.012 1
1 142 . 5 1 1 A 14 14 PHE HA H 14 4.941 5.011 -0.070 1
1 150 . 5 1 1 A 14 14 PHE C C 14 175.179 176.023 -0.844 1
1 151 . 5 1 1 A 14 14 PHE CA C 14 56.302 56.129 0.173 1
1 152 . 5 1 1 A 14 14 PHE CB C 14 41.499 41.378 0.121 1
1 158 . 5 1 1 A 14 14 PHE N N 14 123.141 119.846 3.295 1
1 159 . 5 1 1 A 15 15 ALA H H 15 9.393 8.788 0.605 1
1 160 . 5 1 1 A 15 15 ALA HA H 15 4.130 4.191 -0.061 1
1 164 . 5 1 1 A 15 15 ALA C C 15 177.675 177.296 0.379 1
1 165 . 5 1 1 A 15 15 ALA CA C 15 54.880 54.412 0.468 1
1 166 . 5 1 1 A 15 15 ALA CB C 15 18.986 19.010 -0.024 1
1 167 . 5 1 1 A 15 15 ALA N N 15 126.102 126.469 -0.367 1
1 168 . 5 1 1 A 16 16 ARG H H 16 7.756 7.860 -0.104 1
1 169 . 5 1 1 A 16 16 ARG HA H 16 4.809 4.788 0.021 1
1 176 . 5 1 1 A 16 16 ARG C C 16 177.344 176.017 1.327 1
1 177 . 5 1 1 A 16 16 ARG CA C 16 53.409 54.874 -1.465 1
1 178 . 5 1 1 A 16 16 ARG CB C 16 33.323 33.283 0.040 1
1 181 . 5 1 1 A 16 16 ARG N N 16 110.189 117.771 -7.582 1
1 182 . 5 1 1 A 17 17 LYS H H 17 9.303 8.880 0.423 1
1 183 . 5 1 1 A 17 17 LYS HA H 17 3.742 3.933 -0.191 1
1 192 . 5 1 1 A 17 17 LYS C C 17 178.667 177.830 0.837 1
1 193 . 5 1 1 A 17 17 LYS CA C 17 60.663 59.251 1.412 1
1 194 . 5 1 1 A 17 17 LYS CB C 17 32.005 32.096 -0.091 1
1 198 . 5 1 1 A 17 17 LYS N N 17 125.242 125.679 -0.437 1
1 199 . 5 1 1 A 18 18 ALA H H 18 8.777 8.145 0.632 1
1 200 . 5 1 1 A 18 18 ALA HA H 18 4.046 4.082 -0.036 1
1 204 . 5 1 1 A 18 18 ALA C C 18 180.134 178.631 1.503 1
1 205 . 5 1 1 A 18 18 ALA CA C 18 55.181 55.294 -0.113 1
1 206 . 5 1 1 A 18 18 ALA CB C 18 18.633 18.378 0.255 1
1 207 . 5 1 1 A 18 18 ALA N N 18 118.670 121.884 -3.214 1
1 208 . 5 1 1 A 19 19 ASP H H 19 7.454 8.361 -0.907 1
1 209 . 5 1 1 A 19 19 ASP HA H 19 4.586 4.437 0.149 1
1 212 . 5 1 1 A 19 19 ASP C C 19 178.469 178.213 0.256 1
1 213 . 5 1 1 A 19 19 ASP CA C 19 57.082 57.092 -0.010 1
1 214 . 5 1 1 A 19 19 ASP CB C 19 41.304 42.297 -0.993 1
1 215 . 5 1 1 A 19 19 ASP N N 19 117.020 118.089 -1.069 1
1 216 . 5 1 1 A 20 20 ALA H H 20 7.123 7.566 -0.443 1
1 217 . 5 1 1 A 20 20 ALA HA H 20 2.604 2.964 -0.360 1
1 221 . 5 1 1 A 20 20 ALA C C 20 178.706 180.309 -1.603 1
1 222 . 5 1 1 A 20 20 ALA CA C 20 54.453 54.569 -0.116 1
1 223 . 5 1 1 A 20 20 ALA CB C 20 18.199 17.887 0.312 1
1 224 . 5 1 1 A 20 20 ALA N N 20 124.691 121.436 3.255 1
1 225 . 5 1 1 A 21 21 LEU H H 21 7.871 8.118 -0.247 1
1 226 . 5 1 1 A 21 21 LEU HA H 21 4.008 4.189 -0.181 1
1 236 . 5 1 1 A 21 21 LEU C C 21 179.041 179.056 -0.015 1
1 237 . 5 1 1 A 21 21 LEU CA C 21 58.398 57.980 0.418 1
1 238 . 5 1 1 A 21 21 LEU CB C 21 41.382 40.926 0.456 1
1 242 . 5 1 1 A 21 21 LEU N N 21 116.889 119.360 -2.471 1
1 243 . 5 1 1 A 22 22 ALA H H 22 7.972 8.473 -0.501 1
1 244 . 5 1 1 A 22 22 ALA HA H 22 4.158 4.113 0.045 1
1 248 . 5 1 1 A 22 22 ALA C C 22 179.288 179.196 0.092 1
1 249 . 5 1 1 A 22 22 ALA CA C 22 55.180 55.047 0.133 1
1 250 . 5 1 1 A 22 22 ALA CB C 22 18.013 18.469 -0.456 1
1 251 . 5 1 1 A 22 22 ALA N N 22 121.219 122.516 -1.297 1
1 252 . 5 1 1 A 23 23 PHE H H 23 7.546 8.367 -0.821 1
1 253 . 5 1 1 A 23 23 PHE HA H 23 4.081 4.013 0.068 1
1 261 . 5 1 1 A 23 23 PHE C C 23 178.515 176.958 1.557 1
1 262 . 5 1 1 A 23 23 PHE CA C 23 61.520 61.381 0.139 1
1 263 . 5 1 1 A 23 23 PHE CB C 23 40.296 39.077 1.219 1
1 269 . 5 1 1 A 23 23 PHE N N 23 119.034 119.638 -0.604 1
1 270 . 5 1 1 A 24 24 MET H H 24 7.595 7.998 -0.403 1
1 271 . 5 1 1 A 24 24 MET HA H 24 3.768 3.731 0.037 1
1 279 . 5 1 1 A 24 24 MET C C 24 176.037 178.503 -2.466 1
1 280 . 5 1 1 A 24 24 MET CA C 24 59.901 59.227 0.674 1
1 281 . 5 1 1 A 24 24 MET CB C 24 34.008 32.694 1.314 1
1 284 . 5 1 1 A 24 24 MET N N 24 118.377 117.336 1.041 1
1 285 . 5 1 1 A 25 25 LYS H H 25 8.131 8.304 -0.173 1
1 286 . 5 1 1 A 25 25 LYS HA H 25 3.747 4.024 -0.277 1
1 295 . 5 1 1 A 25 25 LYS C C 25 178.865 178.379 0.486 1
1 296 . 5 1 1 A 25 25 LYS CA C 25 59.994 59.565 0.429 1
1 297 . 5 1 1 A 25 25 LYS CB C 25 32.365 32.413 -0.048 1
1 301 . 5 1 1 A 25 25 LYS N N 25 121.901 120.037 1.864 1
1 302 . 5 1 1 A 26 26 VAL H H 26 7.986 8.211 -0.225 1
1 303 . 5 1 1 A 26 26 VAL HA H 26 3.515 3.543 -0.028 1
1 311 . 5 1 1 A 26 26 VAL C C 26 178.654 177.824 0.830 1
1 312 . 5 1 1 A 26 26 VAL CA C 26 66.337 66.696 -0.359 1
1 313 . 5 1 1 A 26 26 VAL CB C 26 31.302 31.530 -0.228 1
1 316 . 5 1 1 A 26 26 VAL N N 26 119.393 119.596 -0.203 1
1 317 . 5 1 1 A 27 27 MET H H 27 7.232 8.137 -0.905 1
1 318 . 5 1 1 A 27 27 MET HA H 27 3.586 4.025 -0.439 1
1 326 . 5 1 1 A 27 27 MET C C 27 177.564 178.173 -0.609 1
1 327 . 5 1 1 A 27 27 MET CA C 27 59.113 58.130 0.983 1
1 328 . 5 1 1 A 27 27 MET CB C 27 34.025 32.054 1.971 1
1 331 . 5 1 1 A 27 27 MET N N 27 119.647 119.173 0.474 1
1 332 . 5 1 1 A 28 28 LEU H H 28 8.201 8.016 0.185 1
1 333 . 5 1 1 A 28 28 LEU HA H 28 3.733 4.203 -0.470 1
1 343 . 5 1 1 A 28 28 LEU C C 28 178.075 178.775 -0.700 1
1 344 . 5 1 1 A 28 28 LEU CA C 28 57.980 58.160 -0.180 1
1 345 . 5 1 1 A 28 28 LEU CB C 28 41.151 41.625 -0.474 1
1 349 . 5 1 1 A 28 28 LEU N N 28 118.420 123.913 -5.493 1
1 350 . 5 1 1 A 29 29 ASN H H 29 7.579 8.563 -0.984 1
1 351 . 5 1 1 A 29 29 ASN HA H 29 4.512 4.555 -0.043 1
1 356 . 5 1 1 A 29 29 ASN C C 29 176.087 177.917 -1.830 1
1 357 . 5 1 1 A 29 29 ASN CA C 29 54.286 56.326 -2.040 1
1 358 . 5 1 1 A 29 29 ASN CB C 29 38.984 38.191 0.793 1
1 359 . 5 1 1 A 29 29 ASN N N 29 112.254 116.443 -4.189 1
1 361 . 5 1 1 A 30 30 ARG H H 30 7.621 7.703 -0.082 1
1 362 . 5 1 1 A 30 30 ARG HA H 30 4.169 4.211 -0.042 1
1 369 . 5 1 1 A 30 30 ARG C C 30 175.926 176.067 -0.141 1
1 370 . 5 1 1 A 30 30 ARG CA C 30 57.482 57.871 -0.389 1
1 371 . 5 1 1 A 30 30 ARG CB C 30 30.404 31.196 -0.792 1
1 374 . 5 1 1 A 30 30 ARG N N 30 118.878 116.823 2.055 1
1 375 . 5 1 1 A 31 31 TYR H H 31 7.287 7.808 -0.521 1
1 376 . 5 1 1 A 31 31 TYR HA H 31 4.690 4.812 -0.122 1
1 383 . 5 1 1 A 31 31 TYR C C 31 174.348 175.696 -1.348 1
1 384 . 5 1 1 A 31 31 TYR CA C 31 58.118 57.829 0.289 1
1 385 . 5 1 1 A 31 31 TYR CB C 31 43.045 40.513 2.532 1
1 390 . 5 1 1 A 31 31 TYR N N 31 118.414 118.065 0.349 1
1 391 . 5 1 1 A 32 32 ARG H H 32 9.314 8.567 0.747 1
1 392 . 5 1 1 A 32 32 ARG HA H 32 4.913 4.760 0.153 1
1 399 . 5 1 1 A 32 32 ARG C C 32 173.525 175.750 -2.225 1
1 400 . 5 1 1 A 32 32 ARG CA C 32 52.775 53.468 -0.693 1
1 401 . 5 1 1 A 32 32 ARG CB C 32 30.292 31.061 -0.769 1
1 404 . 5 1 1 A 32 32 ARG N N 32 121.876 121.256 0.620 1
1 405 . 5 1 1 A 33 33 PRO HA H 33 3.870 4.478 -0.608 1
1 412 . 5 1 1 A 33 33 PRO C C 33 177.517 176.695 0.822 1
1 413 . 5 1 1 A 33 33 PRO CA C 33 64.332 63.399 0.933 1
1 414 . 5 1 1 A 33 33 PRO CB C 33 31.655 30.685 0.970 1
1 417 . 5 1 1 A 34 34 GLY H H 34 9.584 7.740 1.844 1
1 418 . 5 1 1 A 34 34 GLY HA2 H 34 4.422 4.074 0.348 1
1 419 . 5 1 1 A 34 34 GLY HA3 H 34 3.725 4.095 -0.370 1
1 420 . 5 1 1 A 34 34 GLY C C 34 174.605 173.427 1.178 1
1 421 . 5 1 1 A 34 34 GLY CA C 34 44.745 45.671 -0.926 1
1 422 . 5 1 1 A 34 34 GLY N N 34 115.669 107.805 7.864 1
1 423 . 5 1 1 A 35 35 ASP H H 35 8.252 7.512 0.740 1
1 424 . 5 1 1 A 35 35 ASP HA H 35 4.691 5.096 -0.405 1
1 427 . 5 1 1 A 35 35 ASP C C 35 175.279 174.981 0.298 1
1 428 . 5 1 1 A 35 35 ASP CA C 35 55.195 52.888 2.307 1
1 429 . 5 1 1 A 35 35 ASP CB C 35 42.301 43.615 -1.314 1
1 430 . 5 1 1 A 35 35 ASP N N 35 122.076 119.676 2.400 1
1 431 . 5 1 1 A 36 36 ILE H H 36 8.194 8.666 -0.472 1
1 432 . 5 1 1 A 36 36 ILE HA H 36 4.546 4.627 -0.081 1
1 442 . 5 1 1 A 36 36 ILE C C 36 176.709 175.994 0.715 1
1 443 . 5 1 1 A 36 36 ILE CA C 36 59.572 59.870 -0.298 1
1 444 . 5 1 1 A 36 36 ILE CB C 36 37.870 40.182 -2.312 1
1 448 . 5 1 1 A 36 36 ILE N N 36 120.260 120.680 -0.420 1
1 449 . 5 1 1 A 37 37 VAL H H 37 7.963 8.703 -0.740 1
1 450 . 5 1 1 A 37 37 VAL HA H 37 3.671 3.602 0.069 1
1 458 . 5 1 1 A 37 37 VAL C C 37 176.530 176.171 0.359 1
1 459 . 5 1 1 A 37 37 VAL CA C 37 62.969 62.921 0.048 1
1 460 . 5 1 1 A 37 37 VAL CB C 37 32.201 32.160 0.041 1
1 463 . 5 1 1 A 37 37 VAL N N 37 126.533 127.175 -0.642 1
1 464 . 5 1 1 A 38 38 SER H H 38 8.852 9.260 -0.408 1
1 465 . 5 1 1 A 38 38 SER HA H 38 4.600 4.656 -0.056 1
1 468 . 5 1 1 A 38 38 SER C C 38 174.950 175.992 -1.042 1
1 469 . 5 1 1 A 38 38 SER CA C 38 58.147 58.514 -0.367 1
1 470 . 5 1 1 A 38 38 SER CB C 38 65.224 64.656 0.568 1
1 471 . 5 1 1 A 38 38 SER N N 38 122.752 120.939 1.813 1
1 472 . 5 1 1 A 39 39 THR H H 39 8.870 8.845 0.025 1
1 473 . 5 1 1 A 39 39 THR HA H 39 4.153 3.994 0.159 1
1 478 . 5 1 1 A 39 39 THR C C 39 177.855 176.018 1.837 1
1 479 . 5 1 1 A 39 39 THR CA C 39 66.299 66.744 -0.445 1
1 480 . 5 1 1 A 39 39 THR CB C 39 68.559 69.100 -0.541 1
1 482 . 5 1 1 A 39 39 THR N N 39 116.391 116.471 -0.080 1
1 483 . 5 1 1 A 40 40 VAL H H 40 8.018 8.122 -0.104 1
1 484 . 5 1 1 A 40 40 VAL HA H 40 4.028 3.629 0.399 1
1 492 . 5 1 1 A 40 40 VAL C C 40 178.339 177.389 0.950 1
1 493 . 5 1 1 A 40 40 VAL CA C 40 65.776 66.771 -0.995 1
1 494 . 5 1 1 A 40 40 VAL CB C 40 32.139 31.032 1.107 1
1 497 . 5 1 1 A 40 40 VAL N N 40 121.035 120.780 0.255 1
1 498 . 5 1 1 A 41 41 ASP H H 41 7.610 8.782 -1.172 1
1 499 . 5 1 1 A 41 41 ASP HA H 41 4.570 4.356 0.214 1
1 502 . 5 1 1 A 41 41 ASP C C 41 178.746 179.920 -1.174 1
1 503 . 5 1 1 A 41 41 ASP CA C 41 57.492 57.197 0.295 1
1 504 . 5 1 1 A 41 41 ASP CB C 41 39.740 40.094 -0.354 1
1 505 . 5 1 1 A 41 41 ASP N N 41 124.108 119.973 4.135 1
1 506 . 5 1 1 A 42 42 GLY H H 42 9.363 8.421 0.942 1
1 507 . 5 1 1 A 42 42 GLY HA2 H 42 4.186 3.543 0.643 1
1 508 . 5 1 1 A 42 42 GLY HA3 H 42 3.584 3.875 -0.291 1
1 509 . 5 1 1 A 42 42 GLY C C 42 175.329 176.235 -0.906 1
1 510 . 5 1 1 A 42 42 GLY CA C 42 46.944 47.076 -0.132 1
1 511 . 5 1 1 A 42 42 GLY N N 42 109.572 108.761 0.811 1
1 512 . 5 1 1 A 43 43 ALA H H 43 7.949 8.248 -0.299 1
1 513 . 5 1 1 A 43 43 ALA HA H 43 4.240 4.074 0.166 1
1 517 . 5 1 1 A 43 43 ALA C C 43 180.375 179.250 1.125 1
1 518 . 5 1 1 A 43 43 ALA CA C 43 54.897 54.844 0.053 1
1 519 . 5 1 1 A 43 43 ALA CB C 43 17.895 18.809 -0.914 1
1 520 . 5 1 1 A 43 43 ALA N N 43 123.561 124.628 -1.067 1
1 521 . 5 1 1 A 44 44 PHE H H 44 7.337 8.569 -1.232 1
1 522 . 5 1 1 A 44 44 PHE HA H 44 3.957 4.195 -0.238 1
1 530 . 5 1 1 A 44 44 PHE C C 44 177.252 176.779 0.473 1
1 531 . 5 1 1 A 44 44 PHE CA C 44 61.508 61.647 -0.139 1
1 532 . 5 1 1 A 44 44 PHE CB C 44 38.993 39.378 -0.385 1
1 538 . 5 1 1 A 44 44 PHE N N 44 118.542 119.942 -1.400 1
1 539 . 5 1 1 A 45 45 LEU H H 45 8.301 7.870 0.431 1
1 540 . 5 1 1 A 45 45 LEU HA H 45 3.741 3.546 0.195 1
1 550 . 5 1 1 A 45 45 LEU C C 45 178.847 178.776 0.071 1
1 551 . 5 1 1 A 45 45 LEU CA C 45 57.643 57.806 -0.163 1
1 552 . 5 1 1 A 45 45 LEU CB C 45 41.274 41.327 -0.053 1
1 556 . 5 1 1 A 45 45 LEU N N 45 119.345 120.056 -0.711 1
1 557 . 5 1 1 A 46 46 VAL H H 46 8.562 7.889 0.673 1
1 558 . 5 1 1 A 46 46 VAL HA H 46 3.759 3.542 0.217 1
1 566 . 5 1 1 A 46 46 VAL C C 46 177.077 176.739 0.338 1
1 567 . 5 1 1 A 46 46 VAL CA C 46 67.081 66.906 0.175 1
1 568 . 5 1 1 A 46 46 VAL CB C 46 31.639 31.227 0.412 1
1 571 . 5 1 1 A 46 46 VAL N N 46 118.458 118.333 0.125 1
1 572 . 5 1 1 A 47 47 GLU H H 47 6.896 8.087 -1.191 1
1 573 . 5 1 1 A 47 47 GLU HA H 47 4.019 4.030 -0.011 1
1 578 . 5 1 1 A 47 47 GLU C C 47 179.738 178.708 1.030 1
1 579 . 5 1 1 A 47 47 GLU CA C 47 58.582 59.247 -0.665 1
1 580 . 5 1 1 A 47 47 GLU CB C 47 29.029 29.014 0.015 1
1 582 . 5 1 1 A 47 47 GLU N N 47 117.916 119.435 -1.519 1
1 583 . 5 1 1 A 48 48 ALA H H 48 8.310 7.794 0.516 1
1 584 . 5 1 1 A 48 48 ALA HA H 48 3.761 3.961 -0.200 1
1 588 . 5 1 1 A 48 48 ALA C C 48 179.636 179.554 0.082 1
1 589 . 5 1 1 A 48 48 ALA CA C 48 55.769 54.273 1.496 1
1 590 . 5 1 1 A 48 48 ALA CB C 48 17.370 18.125 -0.755 1
1 591 . 5 1 1 A 48 48 ALA N N 48 123.600 122.725 0.875 1
1 592 . 5 1 1 A 49 49 LEU H H 49 8.724 7.983 0.741 1
1 593 . 5 1 1 A 49 49 LEU HA H 49 3.924 4.206 -0.282 1
1 603 . 5 1 1 A 49 49 LEU C C 49 178.188 178.492 -0.304 1
1 604 . 5 1 1 A 49 49 LEU CA C 49 57.387 57.422 -0.035 1
1 605 . 5 1 1 A 49 49 LEU CB C 49 41.780 41.657 0.123 1
1 609 . 5 1 1 A 49 49 LEU N N 49 119.812 121.023 -1.211 1
1 610 . 5 1 1 A 50 50 LYS H H 50 7.421 8.342 -0.921 1
1 611 . 5 1 1 A 50 50 LYS HA H 50 3.856 4.094 -0.238 1
1 620 . 5 1 1 A 50 50 LYS C C 50 177.592 177.311 0.281 1
1 621 . 5 1 1 A 50 50 LYS CA C 50 59.345 58.861 0.484 1
1 622 . 5 1 1 A 50 50 LYS CB C 50 32.757 31.977 0.780 1
1 626 . 5 1 1 A 50 50 LYS N N 50 115.568 117.331 -1.763 1
1 627 . 5 1 1 A 51 51 ARG H H 51 7.787 8.179 -0.392 1
1 628 . 5 1 1 A 51 51 ARG HA H 51 4.356 4.212 0.144 1
1 635 . 5 1 1 A 51 51 ARG C C 51 176.424 175.118 1.306 1
1 636 . 5 1 1 A 51 51 ARG CA C 51 55.690 56.763 -1.073 1
1 637 . 5 1 1 A 51 51 ARG CB C 51 30.227 29.625 0.602 1
1 640 . 5 1 1 A 51 51 ARG N N 51 115.686 117.878 -2.192 1
1 641 . 5 1 1 A 52 52 HIS H H 52 8.159 7.557 0.602 1
1 642 . 5 1 1 A 52 52 HIS HA H 52 4.512 4.883 -0.371 1
1 646 . 5 1 1 A 52 52 HIS C C 52 175.409 174.971 0.438 1
1 647 . 5 1 1 A 52 52 HIS CA C 52 56.087 53.879 2.208 1
1 648 . 5 1 1 A 52 52 HIS CB C 52 32.904 31.230 1.674 1
1 650 . 5 1 1 A 52 52 HIS N N 52 125.025 118.105 6.920 1
1 651 . 5 1 1 A 53 53 PRO HA H 53 4.341 4.260 0.081 1
1 658 . 5 1 1 A 53 53 PRO CA C 53 65.210 65.002 0.208 1
1 659 . 5 1 1 A 53 53 PRO CB C 53 31.791 31.905 -0.114 1
1 662 . 5 1 1 A 54 54 ASP H H 54 8.058 8.581 -0.523 1
1 663 . 5 1 1 A 54 54 ASP HA H 54 5.184 4.469 0.715 1
1 666 . 5 1 1 A 54 54 ASP C C 54 176.079 178.484 -2.405 1
1 667 . 5 1 1 A 54 54 ASP CA C 54 52.778 56.477 -3.699 1
1 668 . 5 1 1 A 54 54 ASP CB C 54 41.573 40.176 1.397 1
1 669 . 5 1 1 A 55 55 ALA H H 55 7.731 8.303 -0.572 1
1 670 . 5 1 1 A 55 55 ALA HA H 55 3.589 4.049 -0.460 1
1 674 . 5 1 1 A 55 55 ALA C C 55 178.550 179.863 -1.313 1
1 675 . 5 1 1 A 55 55 ALA CA C 55 57.024 55.295 1.729 1
1 676 . 5 1 1 A 55 55 ALA CB C 55 20.320 18.399 1.921 1
1 677 . 5 1 1 A 55 55 ALA N N 55 122.261 122.694 -0.433 1
1 678 . 5 1 1 A 56 56 THR H H 56 8.405 8.209 0.196 1
1 679 . 5 1 1 A 56 56 THR HA H 56 3.804 3.870 -0.066 1
1 684 . 5 1 1 A 56 56 THR C C 56 177.743 176.863 0.880 1
1 685 . 5 1 1 A 56 56 THR CA C 56 67.024 65.538 1.486 1
1 686 . 5 1 1 A 56 56 THR CB C 56 68.257 68.914 -0.657 1
1 688 . 5 1 1 A 56 56 THR N N 56 110.600 113.853 -3.253 1
1 689 . 5 1 1 A 57 57 SER H H 57 7.907 7.865 0.042 1
1 690 . 5 1 1 A 57 57 SER HA H 57 4.251 4.285 -0.034 1
1 693 . 5 1 1 A 57 57 SER C C 57 176.547 176.262 0.285 1
1 694 . 5 1 1 A 57 57 SER CA C 57 60.395 61.097 -0.702 1
1 695 . 5 1 1 A 57 57 SER CB C 57 62.766 63.074 -0.308 1
1 696 . 5 1 1 A 57 57 SER N N 57 117.623 116.404 1.219 1
1 697 . 5 1 1 A 58 58 LYS H H 58 8.180 7.717 0.463 1
1 698 . 5 1 1 A 58 58 LYS HA H 58 3.687 4.200 -0.513 1
1 707 . 5 1 1 A 58 58 LYS C C 58 178.074 176.927 1.147 1
1 708 . 5 1 1 A 58 58 LYS CA C 58 58.090 57.559 0.531 1
1 709 . 5 1 1 A 58 58 LYS CB C 58 32.328 32.092 0.236 1
1 713 . 5 1 1 A 58 58 LYS N N 58 120.772 119.675 1.097 1
1 714 . 5 1 1 A 59 59 ILE H H 59 8.407 7.985 0.422 1
1 715 . 5 1 1 A 59 59 ILE HA H 59 3.336 4.177 -0.841 1
1 725 . 5 1 1 A 59 59 ILE C C 59 176.705 176.990 -0.285 1
1 726 . 5 1 1 A 59 59 ILE CA C 59 64.224 62.834 1.390 1
1 727 . 5 1 1 A 59 59 ILE CB C 59 38.989 38.625 0.364 1
1 731 . 5 1 1 A 59 59 ILE N N 59 119.024 116.920 2.104 1
1 732 . 5 1 1 A 60 60 GLY H H 60 7.360 7.796 -0.436 1
1 733 . 5 1 1 A 60 60 GLY HA2 H 60 3.884 3.896 -0.012 1
1 734 . 5 1 1 A 60 60 GLY HA3 H 60 3.614 3.900 -0.286 1
1 735 . 5 1 1 A 60 60 GLY C C 60 173.964 174.778 -0.814 1
1 736 . 5 1 1 A 60 60 GLY CA C 60 44.586 46.669 -2.083 1
1 737 . 5 1 1 A 60 60 GLY N N 60 106.081 109.808 -3.727 1
1 738 . 5 1 1 A 61 61 PRO HA H 61 4.486 4.437 0.049 1
1 745 . 5 1 1 A 61 61 PRO C C 61 175.603 176.490 -0.887 1
1 746 . 5 1 1 A 61 61 PRO CA C 61 63.473 63.927 -0.454 1
1 747 . 5 1 1 A 61 61 PRO CB C 61 31.981 32.064 -0.083 1
1 750 . 5 1 1 A 62 62 GLY H H 62 7.835 7.145 0.690 1
1 751 . 5 1 1 A 62 62 GLY HA2 H 62 4.378 4.062 0.316 1
1 752 . 5 1 1 A 62 62 GLY HA3 H 62 3.416 4.062 -0.646 1
1 753 . 5 1 1 A 62 62 GLY C C 62 172.596 171.751 0.845 1
1 754 . 5 1 1 A 62 62 GLY CA C 62 44.498 45.008 -0.510 1
1 755 . 5 1 1 A 62 62 GLY N N 62 110.214 106.959 3.255 1
1 756 . 5 1 1 A 63 63 VAL H H 63 8.646 8.310 0.336 1
1 757 . 5 1 1 A 63 63 VAL HA H 63 3.668 4.612 -0.944 1
1 765 . 5 1 1 A 63 63 VAL C C 63 175.808 175.957 -0.149 1
1 766 . 5 1 1 A 63 63 VAL CA C 63 63.681 61.040 2.641 1
1 767 . 5 1 1 A 63 63 VAL CB C 63 32.863 33.767 -0.904 1
1 770 . 5 1 1 A 63 63 VAL N N 63 122.735 119.788 2.947 1
1 771 . 5 1 1 A 64 64 ARG H H 64 9.524 9.013 0.511 1
1 772 . 5 1 1 A 64 64 ARG HA H 64 4.254 4.202 0.052 1
1 779 . 5 1 1 A 64 64 ARG C C 64 175.574 175.849 -0.275 1
1 780 . 5 1 1 A 64 64 ARG CA C 64 57.310 57.757 -0.447 1
1 781 . 5 1 1 A 64 64 ARG CB C 64 31.928 31.193 0.735 1
1 784 . 5 1 1 A 64 64 ARG N N 64 129.782 129.193 0.589 1
1 785 . 5 1 1 A 65 65 ASN H H 65 8.089 7.480 0.609 1
1 786 . 5 1 1 A 65 65 ASN HA H 65 4.662 4.955 -0.293 1
1 791 . 5 1 1 A 65 65 ASN C C 65 171.753 172.031 -0.278 1
1 792 . 5 1 1 A 65 65 ASN CA C 65 53.279 52.183 1.096 1
1 793 . 5 1 1 A 65 65 ASN CB C 65 43.717 40.102 3.615 1
1 794 . 5 1 1 A 65 65 ASN N N 65 114.163 112.328 1.835 1
1 796 . 5 1 1 A 66 66 PHE H H 66 9.064 8.692 0.372 1
1 797 . 5 1 1 A 66 66 PHE HA H 66 5.738 5.614 0.124 1
1 805 . 5 1 1 A 66 66 PHE C C 66 174.834 174.232 0.602 1
1 806 . 5 1 1 A 66 66 PHE CA C 66 56.578 56.279 0.299 1
1 807 . 5 1 1 A 66 66 PHE CB C 66 41.888 42.718 -0.830 1
1 813 . 5 1 1 A 66 66 PHE N N 66 114.774 116.395 -1.621 1
1 814 . 5 1 1 A 67 67 GLU H H 67 9.328 9.173 0.155 1
1 815 . 5 1 1 A 67 67 GLU HA H 67 5.307 5.183 0.124 1
1 820 . 5 1 1 A 67 67 GLU C C 67 174.999 175.118 -0.119 1
1 821 . 5 1 1 A 67 67 GLU CA C 67 54.003 54.769 -0.766 1
1 822 . 5 1 1 A 67 67 GLU CB C 67 35.678 33.613 2.065 1
1 824 . 5 1 1 A 67 67 GLU N N 67 122.005 122.161 -0.156 1
1 825 . 5 1 1 A 68 68 VAL H H 68 8.598 8.823 -0.225 1
1 826 . 5 1 1 A 68 68 VAL HA H 68 4.859 4.690 0.169 1
1 834 . 5 1 1 A 68 68 VAL C C 68 175.361 176.224 -0.863 1
1 835 . 5 1 1 A 68 68 VAL CA C 68 62.102 61.738 0.364 1
1 836 . 5 1 1 A 68 68 VAL CB C 68 32.865 32.429 0.436 1
1 839 . 5 1 1 A 68 68 VAL N N 68 124.692 126.808 -2.116 1
1 840 . 5 1 1 A 69 69 ARG H H 69 8.896 8.625 0.271 1
1 841 . 5 1 1 A 69 69 ARG HA H 69 4.888 4.811 0.077 1
1 848 . 5 1 1 A 69 69 ARG C C 69 175.469 175.131 0.338 1
1 849 . 5 1 1 A 69 69 ARG CA C 69 54.384 53.674 0.710 1
1 850 . 5 1 1 A 69 69 ARG CB C 69 34.979 34.202 0.777 1
1 853 . 5 1 1 A 69 69 ARG N N 69 123.599 127.023 -3.424 1
1 854 . 5 1 1 A 70 70 SER H H 70 8.758 8.597 0.161 1
1 855 . 5 1 1 A 70 70 SER HA H 70 4.511 4.566 -0.055 1
1 858 . 5 1 1 A 70 70 SER C C 70 173.488 174.446 -0.958 1
1 859 . 5 1 1 A 70 70 SER CA C 70 59.858 57.200 2.658 1
1 860 . 5 1 1 A 70 70 SER CB C 70 63.927 62.423 1.504 1
1 861 . 5 1 1 A 70 70 SER N N 70 116.239 117.206 -0.967 1
1 862 . 5 1 1 A 71 71 ALA H H 71 8.456 8.471 -0.015 1
1 863 . 5 1 1 A 71 71 ALA HA H 71 4.688 4.368 0.320 1
1 867 . 5 1 1 A 71 71 ALA C C 71 176.054 177.223 -1.169 1
1 868 . 5 1 1 A 71 71 ALA CA C 71 51.016 55.543 -4.527 1
1 869 . 5 1 1 A 71 71 ALA CB C 71 20.324 19.472 0.852 1
1 870 . 5 1 1 A 71 71 ALA N N 71 128.999 130.321 -1.322 1
1 871 . 5 1 1 A 72 72 ASP H H 72 7.968 7.618 0.350 1
1 872 . 5 1 1 A 72 72 ASP HA H 72 4.361 4.798 -0.437 1
1 875 . 5 1 1 A 72 72 ASP C C 72 176.444 174.366 2.078 1
1 876 . 5 1 1 A 72 72 ASP CA C 72 54.732 52.526 2.206 1
1 877 . 5 1 1 A 72 72 ASP CB C 72 41.060 44.039 -2.979 1
1 878 . 5 1 1 A 72 72 ASP N N 72 118.176 113.474 4.702 1
1 879 . 5 1 1 A 73 73 TYR H H 73 8.768 8.980 -0.212 1
1 880 . 5 1 1 A 73 73 TYR HA H 73 4.309 4.203 0.106 1
1 887 . 5 1 1 A 73 73 TYR C C 73 176.601 176.190 0.411 1
1 888 . 5 1 1 A 73 73 TYR CA C 73 58.799 59.100 -0.301 1
1 889 . 5 1 1 A 73 73 TYR CB C 73 36.239 36.202 0.037 1
1 894 . 5 1 1 A 73 73 TYR N N 73 117.846 117.104 0.742 1
1 895 . 5 1 1 A 74 74 GLY H H 74 8.533 8.851 -0.318 1
1 896 . 5 1 1 A 74 74 GLY HA2 H 74 4.069 3.898 0.171 1
1 897 . 5 1 1 A 74 74 GLY HA3 H 74 3.844 3.911 -0.067 1
1 898 . 5 1 1 A 74 74 GLY C C 74 175.060 173.694 1.366 1
1 899 . 5 1 1 A 74 74 GLY CA C 74 46.117 46.312 -0.195 1
1 900 . 5 1 1 A 74 74 GLY N N 74 108.255 105.369 2.886 1
1 901 . 5 1 1 A 75 75 THR H H 75 7.534 7.898 -0.364 1
1 902 . 5 1 1 A 75 75 THR HA H 75 4.687 4.935 -0.248 1
1 907 . 5 1 1 A 75 75 THR C C 75 173.779 173.429 0.350 1
1 908 . 5 1 1 A 75 75 THR CA C 75 61.115 59.368 1.747 1
1 909 . 5 1 1 A 75 75 THR CB C 75 71.585 71.989 -0.404 1
1 911 . 5 1 1 A 75 75 THR N N 75 111.431 111.062 0.369 1
1 912 . 5 1 1 A 76 76 GLN H H 76 8.590 8.570 0.020 1
1 913 . 5 1 1 A 76 76 GLN HA H 76 5.238 4.629 0.609 1
1 920 . 5 1 1 A 76 76 GLN C C 76 173.605 175.109 -1.504 1
1 921 . 5 1 1 A 76 76 GLN CA C 76 54.556 56.760 -2.204 1
1 922 . 5 1 1 A 76 76 GLN CB C 76 31.657 29.519 2.138 1
1 924 . 5 1 1 A 76 76 GLN N N 76 117.495 122.813 -5.318 1
1 926 . 5 1 1 A 77 77 CYS H H 77 9.058 8.594 0.464 1
1 927 . 5 1 1 A 77 77 CYS HA H 77 4.780 4.860 -0.080 1
1 930 . 5 1 1 A 77 77 CYS C C 77 172.371 173.296 -0.925 1
1 931 . 5 1 1 A 77 77 CYS CA C 77 56.886 57.815 -0.929 1
1 932 . 5 1 1 A 77 77 CYS CB C 77 31.492 32.261 -0.769 1
1 933 . 5 1 1 A 77 77 CYS N N 77 114.572 119.122 -4.550 1
1 934 . 5 1 1 A 78 78 PHE H H 78 8.872 8.679 0.193 1
1 935 . 5 1 1 A 78 78 PHE HA H 78 5.419 5.279 0.140 1
1 943 . 5 1 1 A 78 78 PHE CA C 78 58.466 56.379 2.087 1
1 944 . 5 1 1 A 78 78 PHE CB C 78 42.360 40.347 2.013 1
1 950 . 5 1 1 A 78 78 PHE N N 78 120.396 120.348 0.048 1
1 951 . 5 1 1 A 79 79 TRP H H 79 10.003 9.516 0.487 1
1 952 . 5 1 1 A 79 79 TRP HA H 79 4.907 5.402 -0.495 1
1 961 . 5 1 1 A 79 79 TRP CA C 79 57.535 56.269 1.266 1
1 962 . 5 1 1 A 79 79 TRP CB C 79 30.788 31.257 -0.469 1
1 968 . 5 1 1 A 79 79 TRP N N 79 120.993 123.020 -2.027 1
1 970 . 5 1 1 A 80 80 ILE H H 80 9.669 9.367 0.302 1
1 971 . 5 1 1 A 80 80 ILE HA H 80 3.773 4.195 -0.422 1
1 981 . 5 1 1 A 80 80 ILE C C 80 174.675 175.212 -0.537 1
1 982 . 5 1 1 A 80 80 ILE CA C 80 61.505 60.731 0.774 1
1 983 . 5 1 1 A 80 80 ILE CB C 80 40.765 37.435 3.330 1
1 987 . 5 1 1 A 80 80 ILE N N 80 122.205 124.902 -2.697 1
1 988 . 5 1 1 A 81 81 LEU H H 81 8.489 8.887 -0.398 1
1 989 . 5 1 1 A 81 81 LEU HA H 81 5.037 4.894 0.143 1
1 999 . 5 1 1 A 81 81 LEU C C 81 177.301 176.145 1.156 1
1 1000 . 5 1 1 A 81 81 LEU CA C 81 53.483 53.744 -0.261 1
1 1001 . 5 1 1 A 81 81 LEU CB C 81 40.344 42.315 -1.971 1
1 1005 . 5 1 1 A 81 81 LEU N N 81 127.849 129.165 -1.316 1
1 1006 . 5 1 1 A 82 82 ARG H H 82 8.980 8.751 0.229 1
1 1007 . 5 1 1 A 82 82 ARG HA H 82 5.127 4.381 0.746 1
1 1014 . 5 1 1 A 82 82 ARG C C 82 179.527 177.658 1.869 1
1 1015 . 5 1 1 A 82 82 ARG CA C 82 57.410 55.452 1.958 1
1 1016 . 5 1 1 A 82 82 ARG CB C 82 31.995 30.868 1.127 1
1 1019 . 5 1 1 A 82 82 ARG N N 82 121.829 125.178 -3.349 1
1 1020 . 5 1 1 A 83 83 THR H H 83 8.427 8.982 -0.555 1
1 1021 . 5 1 1 A 83 83 THR HA H 83 3.823 3.902 -0.079 1
1 1026 . 5 1 1 A 83 83 THR C C 83 174.540 176.365 -1.825 1
1 1027 . 5 1 1 A 83 83 THR CA C 83 64.441 65.572 -1.131 1
1 1028 . 5 1 1 A 83 83 THR CB C 83 67.987 68.045 -0.058 1
1 1030 . 5 1 1 A 83 83 THR N N 83 111.631 117.345 -5.714 1
1 1031 . 5 1 1 A 84 84 ASP H H 84 7.431 7.904 -0.473 1
1 1032 . 5 1 1 A 84 84 ASP HA H 84 4.706 4.583 0.123 1
1 1035 . 5 1 1 A 84 84 ASP C C 84 177.092 176.294 0.798 1
1 1036 . 5 1 1 A 84 84 ASP CA C 84 52.983 54.747 -1.764 1
1 1037 . 5 1 1 A 84 84 ASP CB C 84 40.502 41.205 -0.703 1
1 1038 . 5 1 1 A 84 84 ASP N N 84 117.630 121.178 -3.548 1
1 1039 . 5 1 1 A 85 85 GLY H H 85 7.924 8.076 -0.152 1
1 1040 . 5 1 1 A 85 85 GLY HA2 H 85 3.741 3.982 -0.241 1
1 1041 . 5 1 1 A 85 85 GLY HA3 H 85 4.364 3.986 0.378 1
1 1042 . 5 1 1 A 85 85 GLY C C 85 174.007 174.402 -0.395 1
1 1043 . 5 1 1 A 85 85 GLY CA C 85 45.370 45.045 0.325 1
1 1044 . 5 1 1 A 85 85 GLY N N 85 108.078 108.234 -0.156 1
1 1045 . 5 1 1 A 86 86 SER H H 86 8.009 7.992 0.017 1
1 1046 . 5 1 1 A 86 86 SER HA H 86 4.563 4.461 0.102 1
1 1049 . 5 1 1 A 86 86 SER C C 86 172.835 174.080 -1.245 1
1 1050 . 5 1 1 A 86 86 SER CA C 86 58.731 58.429 0.302 1
1 1051 . 5 1 1 A 86 86 SER CB C 86 64.803 63.833 0.970 1
1 1052 . 5 1 1 A 86 86 SER N N 86 117.029 117.668 -0.639 1
1 1053 . 5 1 1 A 87 87 GLU H H 87 8.593 9.059 -0.466 1
1 1054 . 5 1 1 A 87 87 GLU HA H 87 5.921 5.697 0.224 1
1 1059 . 5 1 1 A 87 87 GLU C C 87 175.873 175.292 0.581 1
1 1060 . 5 1 1 A 87 87 GLU CA C 87 54.343 54.607 -0.264 1
1 1061 . 5 1 1 A 87 87 GLU CB C 87 33.925 33.793 0.132 1
1 1063 . 5 1 1 A 87 87 GLU N N 87 116.585 122.316 -5.731 1
1 1064 . 5 1 1 A 88 88 GLU HA H 88 4.496 5.003 -0.507 1
1 1069 . 5 1 1 A 88 88 GLU CA C 88 55.840 55.191 0.649 1
1 1070 . 5 1 1 A 88 88 GLU CB C 88 34.310 32.715 1.595 1
1 1072 . 5 1 1 A 89 89 ARG H H 89 8.013 8.368 -0.355 1
1 1073 . 5 1 1 A 89 89 ARG HA H 89 3.184 4.042 -0.858 1
1 1080 . 5 1 1 A 89 89 ARG CA C 89 56.576 56.651 -0.075 1
1 1081 . 5 1 1 A 89 89 ARG CB C 89 30.462 29.836 0.626 1
1 1084 . 5 1 1 A 89 89 ARG N N 89 127.945 126.026 1.919 1
1 1085 . 5 1 1 A 90 90 PHE HA H 90 5.021 5.541 -0.520 1
1 1093 . 5 1 1 A 90 90 PHE CA C 90 55.089 55.170 -0.081 1
1 1094 . 5 1 1 A 90 90 PHE CB C 90 40.446 41.880 -1.434 1
1 1100 . 5 1 1 A 91 91 SER HA H 91 4.639 4.230 0.409 1
1 1103 . 5 1 1 A 91 91 SER CA C 91 56.242 57.819 -1.577 1
1 1104 . 5 1 1 A 91 91 SER CB C 91 62.621 61.133 1.488 1
1 1105 . 5 1 1 A 92 92 TYR HA H 92 4.268 4.447 -0.179 1
1 1112 . 5 1 1 A 92 92 TYR C C 92 176.450 177.327 -0.877 1
1 1113 . 5 1 1 A 92 92 TYR CA C 92 59.575 60.829 -1.254 1
1 1114 . 5 1 1 A 92 92 TYR CB C 92 37.283 37.720 -0.437 1
1 1119 . 5 1 1 A 93 93 LYS H H 93 7.405 7.721 -0.316 1
1 1120 . 5 1 1 A 93 93 LYS HA H 93 3.749 3.808 -0.059 1
1 1129 . 5 1 1 A 93 93 LYS C C 93 177.715 177.125 0.590 1
1 1130 . 5 1 1 A 93 93 LYS CA C 93 58.446 58.278 0.168 1
1 1131 . 5 1 1 A 93 93 LYS CB C 93 31.822 31.333 0.489 1
1 1135 . 5 1 1 A 93 93 LYS N N 93 120.689 118.420 2.269 1
1 1136 . 5 1 1 A 94 94 LYS H H 94 7.405 7.696 -0.291 1
1 1137 . 5 1 1 A 94 94 LYS HA H 94 4.079 4.556 -0.477 1
1 1146 . 5 1 1 A 94 94 LYS C C 94 176.709 177.071 -0.362 1
1 1147 . 5 1 1 A 94 94 LYS CA C 94 56.479 55.082 1.397 1
1 1148 . 5 1 1 A 94 94 LYS CB C 94 32.760 32.329 0.431 1
1 1152 . 5 1 1 A 94 94 LYS N N 94 115.712 117.729 -2.017 1
1 1153 . 5 1 1 A 95 95 CYS H H 95 7.537 8.135 -0.598 1
1 1154 . 5 1 1 A 95 95 CYS HA H 95 3.937 4.908 -0.971 1
1 1157 . 5 1 1 A 95 95 CYS C C 95 173.487 175.008 -1.521 1
1 1158 . 5 1 1 A 95 95 CYS CA C 95 61.795 59.241 2.554 1
1 1159 . 5 1 1 A 95 95 CYS CB C 95 27.546 27.943 -0.397 1
1 1160 . 5 1 1 A 95 95 CYS N N 95 115.586 119.802 -4.216 1
1 1161 . 5 1 1 A 96 96 VAL HA H 96 4.154 4.227 -0.073 1
1 1169 . 5 1 1 A 96 96 VAL C C 96 175.216 175.240 -0.024 1
1 1170 . 5 1 1 A 96 96 VAL CA C 96 61.916 63.620 -1.704 1
1 1171 . 5 1 1 A 96 96 VAL CB C 96 31.695 33.538 -1.843 1
1 1174 . 5 1 1 A 97 97 LEU H H 97 8.002 7.622 0.380 1
1 1175 . 5 1 1 A 97 97 LEU HA H 97 4.316 4.899 -0.583 1
1 1185 . 5 1 1 A 97 97 LEU C C 97 176.168 176.407 -0.239 1
1 1186 . 5 1 1 A 97 97 LEU CA C 97 54.770 53.299 1.471 1
1 1187 . 5 1 1 A 97 97 LEU CB C 97 42.558 45.435 -2.877 1
1 1191 . 5 1 1 A 97 97 LEU N N 97 124.364 118.527 5.837 1
1 1192 . 5 1 1 A 98 98 GLU H H 98 8.345 8.553 -0.208 1
1 1193 . 5 1 1 A 98 98 GLU HA H 98 4.301 4.584 -0.283 1
1 1198 . 5 1 1 A 98 98 GLU C C 98 175.732 178.005 -2.273 1
1 1199 . 5 1 1 A 98 98 GLU CA C 98 55.988 55.011 0.977 1
1 1200 . 5 1 1 A 98 98 GLU CB C 98 30.989 29.823 1.166 1
1 1 . 6 1 1 A 2 2 ALA HA H 2 4.102 4.764 -0.662 1
1 5 . 6 1 1 A 2 2 ALA CA C 2 51.775 50.815 0.960 1
1 6 . 6 1 1 A 2 2 ALA CB C 2 19.665 20.128 -0.463 1
1 7 . 6 1 1 A 3 3 LYS HA H 3 4.329 4.570 -0.241 1
1 15 . 6 1 1 A 3 3 LYS C C 3 176.086 175.746 0.340 1
1 16 . 6 1 1 A 3 3 LYS CA C 3 56.354 56.128 0.226 1
1 17 . 6 1 1 A 3 3 LYS CB C 3 33.325 32.925 0.400 1
1 21 . 6 1 1 A 4 4 ALA H H 4 8.515 7.898 0.617 1
1 22 . 6 1 1 A 4 4 ALA HA H 4 4.356 4.660 -0.304 1
1 26 . 6 1 1 A 4 4 ALA C C 4 177.307 176.569 0.738 1
1 27 . 6 1 1 A 4 4 ALA CA C 4 52.316 50.455 1.861 1
1 28 . 6 1 1 A 4 4 ALA CB C 4 19.421 21.919 -2.498 1
1 29 . 6 1 1 A 4 4 ALA N N 4 126.866 121.699 5.167 1
1 30 . 6 1 1 A 5 5 GLN H H 5 8.521 8.737 -0.216 1
1 31 . 6 1 1 A 5 5 GLN HA H 5 4.652 4.397 0.255 1
1 38 . 6 1 1 A 5 5 GLN C C 5 173.576 174.777 -1.201 1
1 39 . 6 1 1 A 5 5 GLN CA C 5 53.470 57.370 -3.900 1
1 40 . 6 1 1 A 5 5 GLN CB C 5 29.457 27.762 1.695 1
1 42 . 6 1 1 A 5 5 GLN N N 5 122.182 115.621 6.561 1
1 44 . 6 1 1 A 6 6 PRO HA H 6 4.587 4.581 0.006 1
1 51 . 6 1 1 A 6 6 PRO C C 6 176.481 175.982 0.499 1
1 52 . 6 1 1 A 6 6 PRO CA C 6 63.028 62.358 0.670 1
1 53 . 6 1 1 A 6 6 PRO CB C 6 32.905 33.149 -0.244 1
1 56 . 6 1 1 A 7 7 ILE H H 7 8.581 8.605 -0.024 1
1 57 . 6 1 1 A 7 7 ILE HA H 7 4.245 4.221 0.024 1
1 67 . 6 1 1 A 7 7 ILE C C 7 174.129 175.040 -0.911 1
1 68 . 6 1 1 A 7 7 ILE CA C 7 60.613 60.879 -0.266 1
1 69 . 6 1 1 A 7 7 ILE CB C 7 40.266 36.644 3.622 1
1 73 . 6 1 1 A 7 7 ILE N N 7 120.418 121.989 -1.571 1
1 74 . 6 1 1 A 8 8 GLU H H 8 8.572 8.676 -0.104 1
1 75 . 6 1 1 A 8 8 GLU HA H 8 5.363 5.127 0.236 1
1 80 . 6 1 1 A 8 8 GLU C C 8 175.806 175.286 0.520 1
1 81 . 6 1 1 A 8 8 GLU CA C 8 54.749 55.721 -0.972 1
1 82 . 6 1 1 A 8 8 GLU CB C 8 31.505 31.074 0.431 1
1 84 . 6 1 1 A 8 8 GLU N N 8 128.440 128.316 0.124 1
1 85 . 6 1 1 A 9 9 ILE H H 9 8.591 8.954 -0.363 1
1 86 . 6 1 1 A 9 9 ILE HA H 9 4.111 4.363 -0.252 1
1 96 . 6 1 1 A 9 9 ILE C C 9 174.977 176.051 -1.074 1
1 97 . 6 1 1 A 9 9 ILE CA C 9 60.967 60.146 0.821 1
1 98 . 6 1 1 A 9 9 ILE CB C 9 41.559 39.926 1.633 1
1 102 . 6 1 1 A 9 9 ILE N N 9 123.957 127.621 -3.664 1
1 103 . 6 1 1 A 10 10 ALA H H 10 9.398 9.082 0.316 1
1 104 . 6 1 1 A 10 10 ALA HA H 10 4.072 4.058 0.014 1
1 108 . 6 1 1 A 10 10 ALA C C 10 177.026 177.068 -0.042 1
1 109 . 6 1 1 A 10 10 ALA CA C 10 52.646 53.359 -0.713 1
1 110 . 6 1 1 A 10 10 ALA CB C 10 18.121 17.979 0.142 1
1 111 . 6 1 1 A 10 10 ALA N N 10 130.074 131.859 -1.785 1
1 112 . 6 1 1 A 11 11 GLY H H 11 8.958 8.326 0.632 1
1 113 . 6 1 1 A 11 11 GLY HA2 H 11 4.046 3.768 0.278 1
1 114 . 6 1 1 A 11 11 GLY HA3 H 11 3.570 3.793 -0.223 1
1 115 . 6 1 1 A 11 11 GLY C C 11 174.139 174.090 0.049 1
1 116 . 6 1 1 A 11 11 GLY CA C 11 45.467 45.355 0.112 1
1 117 . 6 1 1 A 11 11 GLY N N 11 105.460 103.302 2.158 1
1 118 . 6 1 1 A 12 12 HIS H H 12 8.189 8.105 0.084 1
1 119 . 6 1 1 A 12 12 HIS HA H 12 4.325 4.269 0.056 1
1 124 . 6 1 1 A 12 12 HIS C C 12 173.060 174.307 -1.247 1
1 125 . 6 1 1 A 12 12 HIS CA C 12 54.628 56.519 -1.891 1
1 126 . 6 1 1 A 12 12 HIS CB C 12 30.432 29.518 0.914 1
1 129 . 6 1 1 A 12 12 HIS N N 12 120.216 118.616 1.600 1
1 130 . 6 1 1 A 13 13 GLU H H 13 8.338 8.507 -0.169 1
1 131 . 6 1 1 A 13 13 GLU HA H 13 4.659 4.625 0.034 1
1 136 . 6 1 1 A 13 13 GLU C C 13 175.231 175.064 0.167 1
1 137 . 6 1 1 A 13 13 GLU CA C 13 55.147 55.482 -0.335 1
1 138 . 6 1 1 A 13 13 GLU CB C 13 31.218 30.466 0.752 1
1 140 . 6 1 1 A 13 13 GLU N N 13 122.925 123.057 -0.132 1
1 141 . 6 1 1 A 14 14 PHE H H 14 9.117 9.103 0.014 1
1 142 . 6 1 1 A 14 14 PHE HA H 14 4.941 5.008 -0.067 1
1 150 . 6 1 1 A 14 14 PHE C C 14 175.179 176.147 -0.968 1
1 151 . 6 1 1 A 14 14 PHE CA C 14 56.302 56.283 0.019 1
1 152 . 6 1 1 A 14 14 PHE CB C 14 41.499 40.117 1.382 1
1 158 . 6 1 1 A 14 14 PHE N N 14 123.141 121.897 1.244 1
1 159 . 6 1 1 A 15 15 ALA H H 15 9.393 8.818 0.575 1
1 160 . 6 1 1 A 15 15 ALA HA H 15 4.130 4.270 -0.140 1
1 164 . 6 1 1 A 15 15 ALA C C 15 177.675 177.176 0.499 1
1 165 . 6 1 1 A 15 15 ALA CA C 15 54.880 53.744 1.136 1
1 166 . 6 1 1 A 15 15 ALA CB C 15 18.986 18.958 0.028 1
1 167 . 6 1 1 A 15 15 ALA N N 15 126.102 127.069 -0.967 1
1 168 . 6 1 1 A 16 16 ARG H H 16 7.756 7.731 0.025 1
1 169 . 6 1 1 A 16 16 ARG HA H 16 4.809 4.781 0.028 1
1 176 . 6 1 1 A 16 16 ARG C C 16 177.344 176.004 1.340 1
1 177 . 6 1 1 A 16 16 ARG CA C 16 53.409 55.276 -1.867 1
1 178 . 6 1 1 A 16 16 ARG CB C 16 33.323 33.068 0.255 1
1 181 . 6 1 1 A 16 16 ARG N N 16 110.189 117.643 -7.454 1
1 182 . 6 1 1 A 17 17 LYS H H 17 9.303 8.892 0.411 1
1 183 . 6 1 1 A 17 17 LYS HA H 17 3.742 3.896 -0.154 1
1 192 . 6 1 1 A 17 17 LYS C C 17 178.667 177.824 0.843 1
1 193 . 6 1 1 A 17 17 LYS CA C 17 60.663 59.821 0.842 1
1 194 . 6 1 1 A 17 17 LYS CB C 17 32.005 32.199 -0.194 1
1 198 . 6 1 1 A 17 17 LYS N N 17 125.242 125.949 -0.707 1
1 199 . 6 1 1 A 18 18 ALA H H 18 8.777 8.204 0.573 1
1 200 . 6 1 1 A 18 18 ALA HA H 18 4.046 4.083 -0.037 1
1 204 . 6 1 1 A 18 18 ALA C C 18 180.134 179.765 0.369 1
1 205 . 6 1 1 A 18 18 ALA CA C 18 55.181 55.047 0.134 1
1 206 . 6 1 1 A 18 18 ALA CB C 18 18.633 18.215 0.418 1
1 207 . 6 1 1 A 18 18 ALA N N 18 118.670 121.206 -2.536 1
1 208 . 6 1 1 A 19 19 ASP H H 19 7.454 8.065 -0.611 1
1 209 . 6 1 1 A 19 19 ASP HA H 19 4.586 4.426 0.160 1
1 212 . 6 1 1 A 19 19 ASP C C 19 178.469 178.122 0.347 1
1 213 . 6 1 1 A 19 19 ASP CA C 19 57.082 56.770 0.312 1
1 214 . 6 1 1 A 19 19 ASP CB C 19 41.304 41.057 0.247 1
1 215 . 6 1 1 A 19 19 ASP N N 19 117.020 119.005 -1.985 1
1 216 . 6 1 1 A 20 20 ALA H H 20 7.123 7.585 -0.462 1
1 217 . 6 1 1 A 20 20 ALA HA H 20 2.604 3.050 -0.446 1
1 221 . 6 1 1 A 20 20 ALA C C 20 178.706 179.912 -1.206 1
1 222 . 6 1 1 A 20 20 ALA CA C 20 54.453 54.680 -0.227 1
1 223 . 6 1 1 A 20 20 ALA CB C 20 18.199 17.723 0.476 1
1 224 . 6 1 1 A 20 20 ALA N N 20 124.691 121.947 2.744 1
1 225 . 6 1 1 A 21 21 LEU H H 21 7.871 8.141 -0.270 1
1 226 . 6 1 1 A 21 21 LEU HA H 21 4.008 4.028 -0.020 1
1 236 . 6 1 1 A 21 21 LEU C C 21 179.041 178.931 0.110 1
1 237 . 6 1 1 A 21 21 LEU CA C 21 58.398 57.988 0.410 1
1 238 . 6 1 1 A 21 21 LEU CB C 21 41.382 41.695 -0.313 1
1 242 . 6 1 1 A 21 21 LEU N N 21 116.889 118.612 -1.723 1
1 243 . 6 1 1 A 22 22 ALA H H 22 7.972 8.373 -0.401 1
1 244 . 6 1 1 A 22 22 ALA HA H 22 4.158 4.115 0.043 1
1 248 . 6 1 1 A 22 22 ALA C C 22 179.288 179.409 -0.121 1
1 249 . 6 1 1 A 22 22 ALA CA C 22 55.180 55.088 0.092 1
1 250 . 6 1 1 A 22 22 ALA CB C 22 18.013 18.541 -0.528 1
1 251 . 6 1 1 A 22 22 ALA N N 22 121.219 121.067 0.152 1
1 252 . 6 1 1 A 23 23 PHE H H 23 7.546 8.520 -0.974 1
1 253 . 6 1 1 A 23 23 PHE HA H 23 4.081 4.061 0.020 1
1 261 . 6 1 1 A 23 23 PHE C C 23 178.515 176.828 1.687 1
1 262 . 6 1 1 A 23 23 PHE CA C 23 61.520 61.600 -0.080 1
1 263 . 6 1 1 A 23 23 PHE CB C 23 40.296 39.552 0.744 1
1 269 . 6 1 1 A 23 23 PHE N N 23 119.034 119.598 -0.564 1
1 270 . 6 1 1 A 24 24 MET H H 24 7.595 8.388 -0.793 1
1 271 . 6 1 1 A 24 24 MET HA H 24 3.768 3.926 -0.158 1
1 279 . 6 1 1 A 24 24 MET C C 24 176.037 178.417 -2.380 1
1 280 . 6 1 1 A 24 24 MET CA C 24 59.901 58.146 1.755 1
1 281 . 6 1 1 A 24 24 MET CB C 24 34.008 32.329 1.679 1
1 284 . 6 1 1 A 24 24 MET N N 24 118.377 116.835 1.542 1
1 285 . 6 1 1 A 25 25 LYS H H 25 8.131 8.088 0.043 1
1 286 . 6 1 1 A 25 25 LYS HA H 25 3.747 4.010 -0.263 1
1 295 . 6 1 1 A 25 25 LYS C C 25 178.865 178.341 0.524 1
1 296 . 6 1 1 A 25 25 LYS CA C 25 59.994 59.349 0.645 1
1 297 . 6 1 1 A 25 25 LYS CB C 25 32.365 32.295 0.070 1
1 301 . 6 1 1 A 25 25 LYS N N 25 121.901 120.790 1.111 1
1 302 . 6 1 1 A 26 26 VAL H H 26 7.986 8.229 -0.243 1
1 303 . 6 1 1 A 26 26 VAL HA H 26 3.515 3.492 0.023 1
1 311 . 6 1 1 A 26 26 VAL C C 26 178.654 177.827 0.827 1
1 312 . 6 1 1 A 26 26 VAL CA C 26 66.337 66.688 -0.351 1
1 313 . 6 1 1 A 26 26 VAL CB C 26 31.302 31.471 -0.169 1
1 316 . 6 1 1 A 26 26 VAL N N 26 119.393 119.665 -0.272 1
1 317 . 6 1 1 A 27 27 MET H H 27 7.232 8.188 -0.956 1
1 318 . 6 1 1 A 27 27 MET HA H 27 3.586 4.026 -0.440 1
1 326 . 6 1 1 A 27 27 MET C C 27 177.564 178.422 -0.858 1
1 327 . 6 1 1 A 27 27 MET CA C 27 59.113 58.492 0.621 1
1 328 . 6 1 1 A 27 27 MET CB C 27 34.025 31.983 2.042 1
1 331 . 6 1 1 A 27 27 MET N N 27 119.647 119.120 0.527 1
1 332 . 6 1 1 A 28 28 LEU H H 28 8.201 7.903 0.298 1
1 333 . 6 1 1 A 28 28 LEU HA H 28 3.733 4.167 -0.434 1
1 343 . 6 1 1 A 28 28 LEU C C 28 178.075 178.474 -0.399 1
1 344 . 6 1 1 A 28 28 LEU CA C 28 57.980 58.000 -0.020 1
1 345 . 6 1 1 A 28 28 LEU CB C 28 41.151 41.450 -0.299 1
1 349 . 6 1 1 A 28 28 LEU N N 28 118.420 123.303 -4.883 1
1 350 . 6 1 1 A 29 29 ASN H H 29 7.579 8.139 -0.560 1
1 351 . 6 1 1 A 29 29 ASN HA H 29 4.512 4.819 -0.307 1
1 356 . 6 1 1 A 29 29 ASN C C 29 176.087 176.071 0.016 1
1 357 . 6 1 1 A 29 29 ASN CA C 29 54.286 54.138 0.148 1
1 358 . 6 1 1 A 29 29 ASN CB C 29 38.984 38.318 0.666 1
1 359 . 6 1 1 A 29 29 ASN N N 29 112.254 116.675 -4.421 1
1 361 . 6 1 1 A 30 30 ARG H H 30 7.621 7.644 -0.023 1
1 362 . 6 1 1 A 30 30 ARG HA H 30 4.169 4.317 -0.148 1
1 369 . 6 1 1 A 30 30 ARG C C 30 175.926 175.181 0.745 1
1 370 . 6 1 1 A 30 30 ARG CA C 30 57.482 55.465 2.017 1
1 371 . 6 1 1 A 30 30 ARG CB C 30 30.404 31.003 -0.599 1
1 374 . 6 1 1 A 30 30 ARG N N 30 118.878 117.180 1.698 1
1 375 . 6 1 1 A 31 31 TYR H H 31 7.287 7.444 -0.157 1
1 376 . 6 1 1 A 31 31 TYR HA H 31 4.690 4.937 -0.247 1
1 383 . 6 1 1 A 31 31 TYR C C 31 174.348 175.906 -1.558 1
1 384 . 6 1 1 A 31 31 TYR CA C 31 58.118 57.257 0.861 1
1 385 . 6 1 1 A 31 31 TYR CB C 31 43.045 40.983 2.062 1
1 390 . 6 1 1 A 31 31 TYR N N 31 118.414 118.790 -0.376 1
1 391 . 6 1 1 A 32 32 ARG H H 32 9.314 8.800 0.514 1
1 392 . 6 1 1 A 32 32 ARG HA H 32 4.913 4.602 0.311 1
1 399 . 6 1 1 A 32 32 ARG C C 32 173.525 175.848 -2.323 1
1 400 . 6 1 1 A 32 32 ARG CA C 32 52.775 54.305 -1.530 1
1 401 . 6 1 1 A 32 32 ARG CB C 32 30.292 29.825 0.467 1
1 404 . 6 1 1 A 32 32 ARG N N 32 121.876 122.675 -0.799 1
1 405 . 6 1 1 A 33 33 PRO HA H 33 3.870 4.423 -0.553 1
1 412 . 6 1 1 A 33 33 PRO C C 33 177.517 176.771 0.746 1
1 413 . 6 1 1 A 33 33 PRO CA C 33 64.332 63.748 0.584 1
1 414 . 6 1 1 A 33 33 PRO CB C 33 31.655 31.132 0.523 1
1 417 . 6 1 1 A 34 34 GLY H H 34 9.584 7.729 1.855 1
1 418 . 6 1 1 A 34 34 GLY HA2 H 34 4.422 4.087 0.335 1
1 419 . 6 1 1 A 34 34 GLY HA3 H 34 3.725 4.097 -0.372 1
1 420 . 6 1 1 A 34 34 GLY C C 34 174.605 173.215 1.390 1
1 421 . 6 1 1 A 34 34 GLY CA C 34 44.745 45.664 -0.919 1
1 422 . 6 1 1 A 34 34 GLY N N 34 115.669 107.346 8.323 1
1 423 . 6 1 1 A 35 35 ASP H H 35 8.252 7.631 0.621 1
1 424 . 6 1 1 A 35 35 ASP HA H 35 4.691 5.136 -0.445 1
1 427 . 6 1 1 A 35 35 ASP C C 35 175.279 175.455 -0.176 1
1 428 . 6 1 1 A 35 35 ASP CA C 35 55.195 52.565 2.630 1
1 429 . 6 1 1 A 35 35 ASP CB C 35 42.301 44.268 -1.967 1
1 430 . 6 1 1 A 35 35 ASP N N 35 122.076 119.312 2.764 1
1 431 . 6 1 1 A 36 36 ILE H H 36 8.194 8.694 -0.500 1
1 432 . 6 1 1 A 36 36 ILE HA H 36 4.546 4.226 0.320 1
1 442 . 6 1 1 A 36 36 ILE C C 36 176.709 176.535 0.174 1
1 443 . 6 1 1 A 36 36 ILE CA C 36 59.572 61.288 -1.716 1
1 444 . 6 1 1 A 36 36 ILE CB C 36 37.870 37.973 -0.103 1
1 448 . 6 1 1 A 36 36 ILE N N 36 120.260 120.136 0.124 1
1 449 . 6 1 1 A 37 37 VAL H H 37 7.963 8.785 -0.822 1
1 450 . 6 1 1 A 37 37 VAL HA H 37 3.671 3.543 0.128 1
1 458 . 6 1 1 A 37 37 VAL C C 37 176.530 176.517 0.013 1
1 459 . 6 1 1 A 37 37 VAL CA C 37 62.969 62.372 0.597 1
1 460 . 6 1 1 A 37 37 VAL CB C 37 32.201 32.137 0.064 1
1 463 . 6 1 1 A 37 37 VAL N N 37 126.533 127.644 -1.111 1
1 464 . 6 1 1 A 38 38 SER H H 38 8.852 8.559 0.293 1
1 465 . 6 1 1 A 38 38 SER HA H 38 4.600 4.722 -0.122 1
1 468 . 6 1 1 A 38 38 SER C C 38 174.950 176.062 -1.112 1
1 469 . 6 1 1 A 38 38 SER CA C 38 58.147 57.829 0.318 1
1 470 . 6 1 1 A 38 38 SER CB C 38 65.224 65.269 -0.045 1
1 471 . 6 1 1 A 38 38 SER N N 38 122.752 120.000 2.752 1
1 472 . 6 1 1 A 39 39 THR H H 39 8.870 8.804 0.066 1
1 473 . 6 1 1 A 39 39 THR HA H 39 4.153 4.037 0.116 1
1 478 . 6 1 1 A 39 39 THR C C 39 177.855 176.176 1.679 1
1 479 . 6 1 1 A 39 39 THR CA C 39 66.299 66.771 -0.472 1
1 480 . 6 1 1 A 39 39 THR CB C 39 68.559 68.760 -0.201 1
1 482 . 6 1 1 A 39 39 THR N N 39 116.391 116.387 0.004 1
1 483 . 6 1 1 A 40 40 VAL H H 40 8.018 8.211 -0.193 1
1 484 . 6 1 1 A 40 40 VAL HA H 40 4.028 3.620 0.408 1
1 492 . 6 1 1 A 40 40 VAL C C 40 178.339 177.845 0.494 1
1 493 . 6 1 1 A 40 40 VAL CA C 40 65.776 66.928 -1.152 1
1 494 . 6 1 1 A 40 40 VAL CB C 40 32.139 31.821 0.318 1
1 497 . 6 1 1 A 40 40 VAL N N 40 121.035 121.651 -0.616 1
1 498 . 6 1 1 A 41 41 ASP H H 41 7.610 8.580 -0.970 1
1 499 . 6 1 1 A 41 41 ASP HA H 41 4.570 4.295 0.275 1
1 502 . 6 1 1 A 41 41 ASP C C 41 178.746 179.729 -0.983 1
1 503 . 6 1 1 A 41 41 ASP CA C 41 57.492 57.057 0.435 1
1 504 . 6 1 1 A 41 41 ASP CB C 41 39.740 39.979 -0.239 1
1 505 . 6 1 1 A 41 41 ASP N N 41 124.108 119.708 4.400 1
1 506 . 6 1 1 A 42 42 GLY H H 42 9.363 8.505 0.858 1
1 507 . 6 1 1 A 42 42 GLY HA2 H 42 4.186 3.479 0.707 1
1 508 . 6 1 1 A 42 42 GLY HA3 H 42 3.584 3.885 -0.301 1
1 509 . 6 1 1 A 42 42 GLY C C 42 175.329 175.952 -0.623 1
1 510 . 6 1 1 A 42 42 GLY CA C 42 46.944 47.033 -0.089 1
1 511 . 6 1 1 A 42 42 GLY N N 42 109.572 108.963 0.609 1
1 512 . 6 1 1 A 43 43 ALA H H 43 7.949 7.911 0.038 1
1 513 . 6 1 1 A 43 43 ALA HA H 43 4.240 4.036 0.204 1
1 517 . 6 1 1 A 43 43 ALA C C 43 180.375 179.464 0.911 1
1 518 . 6 1 1 A 43 43 ALA CA C 43 54.897 54.703 0.194 1
1 519 . 6 1 1 A 43 43 ALA CB C 43 17.895 18.419 -0.524 1
1 520 . 6 1 1 A 43 43 ALA N N 43 123.561 124.398 -0.837 1
1 521 . 6 1 1 A 44 44 PHE H H 44 7.337 8.368 -1.031 1
1 522 . 6 1 1 A 44 44 PHE HA H 44 3.957 4.172 -0.215 1
1 530 . 6 1 1 A 44 44 PHE C C 44 177.252 176.870 0.382 1
1 531 . 6 1 1 A 44 44 PHE CA C 44 61.508 61.243 0.265 1
1 532 . 6 1 1 A 44 44 PHE CB C 44 38.993 39.087 -0.094 1
1 538 . 6 1 1 A 44 44 PHE N N 44 118.542 120.389 -1.847 1
1 539 . 6 1 1 A 45 45 LEU H H 45 8.301 8.315 -0.014 1
1 540 . 6 1 1 A 45 45 LEU HA H 45 3.741 3.748 -0.007 1
1 550 . 6 1 1 A 45 45 LEU C C 45 178.847 178.967 -0.120 1
1 551 . 6 1 1 A 45 45 LEU CA C 45 57.643 57.650 -0.007 1
1 552 . 6 1 1 A 45 45 LEU CB C 45 41.274 40.754 0.520 1
1 556 . 6 1 1 A 45 45 LEU N N 45 119.345 119.490 -0.145 1
1 557 . 6 1 1 A 46 46 VAL H H 46 8.562 7.736 0.826 1
1 558 . 6 1 1 A 46 46 VAL HA H 46 3.759 3.438 0.321 1
1 566 . 6 1 1 A 46 46 VAL C C 46 177.077 177.239 -0.162 1
1 567 . 6 1 1 A 46 46 VAL CA C 46 67.081 67.024 0.057 1
1 568 . 6 1 1 A 46 46 VAL CB C 46 31.639 31.504 0.135 1
1 571 . 6 1 1 A 46 46 VAL N N 46 118.458 118.983 -0.525 1
1 572 . 6 1 1 A 47 47 GLU H H 47 6.896 7.981 -1.085 1
1 573 . 6 1 1 A 47 47 GLU HA H 47 4.019 3.968 0.051 1
1 578 . 6 1 1 A 47 47 GLU C C 47 179.738 178.835 0.903 1
1 579 . 6 1 1 A 47 47 GLU CA C 47 58.582 59.361 -0.779 1
1 580 . 6 1 1 A 47 47 GLU CB C 47 29.029 29.677 -0.648 1
1 582 . 6 1 1 A 47 47 GLU N N 47 117.916 119.176 -1.260 1
1 583 . 6 1 1 A 48 48 ALA H H 48 8.310 7.721 0.589 1
1 584 . 6 1 1 A 48 48 ALA HA H 48 3.761 4.103 -0.342 1
1 588 . 6 1 1 A 48 48 ALA C C 48 179.636 179.714 -0.078 1
1 589 . 6 1 1 A 48 48 ALA CA C 48 55.769 55.039 0.730 1
1 590 . 6 1 1 A 48 48 ALA CB C 48 17.370 18.423 -1.053 1
1 591 . 6 1 1 A 48 48 ALA N N 48 123.600 122.002 1.598 1
1 592 . 6 1 1 A 49 49 LEU H H 49 8.724 8.054 0.670 1
1 593 . 6 1 1 A 49 49 LEU HA H 49 3.924 3.762 0.162 1
1 603 . 6 1 1 A 49 49 LEU C C 49 178.188 179.028 -0.840 1
1 604 . 6 1 1 A 49 49 LEU CA C 49 57.387 56.889 0.498 1
1 605 . 6 1 1 A 49 49 LEU CB C 49 41.780 41.261 0.519 1
1 609 . 6 1 1 A 49 49 LEU N N 49 119.812 120.090 -0.278 1
1 610 . 6 1 1 A 50 50 LYS H H 50 7.421 7.784 -0.363 1
1 611 . 6 1 1 A 50 50 LYS HA H 50 3.856 4.136 -0.280 1
1 620 . 6 1 1 A 50 50 LYS C C 50 177.592 178.170 -0.578 1
1 621 . 6 1 1 A 50 50 LYS CA C 50 59.345 58.862 0.483 1
1 622 . 6 1 1 A 50 50 LYS CB C 50 32.757 32.106 0.651 1
1 626 . 6 1 1 A 50 50 LYS N N 50 115.568 119.090 -3.522 1
1 627 . 6 1 1 A 51 51 ARG H H 51 7.787 7.462 0.325 1
1 628 . 6 1 1 A 51 51 ARG HA H 51 4.356 4.325 0.031 1
1 635 . 6 1 1 A 51 51 ARG C C 51 176.424 175.715 0.709 1
1 636 . 6 1 1 A 51 51 ARG CA C 51 55.690 55.605 0.085 1
1 637 . 6 1 1 A 51 51 ARG CB C 51 30.227 30.902 -0.675 1
1 640 . 6 1 1 A 51 51 ARG N N 51 115.686 116.697 -1.011 1
1 641 . 6 1 1 A 52 52 HIS H H 52 8.159 7.732 0.427 1
1 642 . 6 1 1 A 52 52 HIS HA H 52 4.512 4.864 -0.352 1
1 646 . 6 1 1 A 52 52 HIS C C 52 175.409 175.083 0.326 1
1 647 . 6 1 1 A 52 52 HIS CA C 52 56.087 54.003 2.084 1
1 648 . 6 1 1 A 52 52 HIS CB C 52 32.904 30.995 1.909 1
1 650 . 6 1 1 A 52 52 HIS N N 52 125.025 118.596 6.429 1
1 651 . 6 1 1 A 53 53 PRO HA H 53 4.341 4.361 -0.020 1
1 658 . 6 1 1 A 53 53 PRO CA C 53 65.210 65.044 0.166 1
1 659 . 6 1 1 A 53 53 PRO CB C 53 31.791 31.840 -0.049 1
1 662 . 6 1 1 A 54 54 ASP H H 54 8.058 8.811 -0.753 1
1 663 . 6 1 1 A 54 54 ASP HA H 54 5.184 4.621 0.563 1
1 666 . 6 1 1 A 54 54 ASP C C 54 176.079 178.054 -1.975 1
1 667 . 6 1 1 A 54 54 ASP CA C 54 52.778 54.419 -1.641 1
1 668 . 6 1 1 A 54 54 ASP CB C 54 41.573 40.345 1.228 1
1 669 . 6 1 1 A 55 55 ALA H H 55 7.731 7.854 -0.123 1
1 670 . 6 1 1 A 55 55 ALA HA H 55 3.589 4.044 -0.455 1
1 674 . 6 1 1 A 55 55 ALA C C 55 178.550 179.977 -1.427 1
1 675 . 6 1 1 A 55 55 ALA CA C 55 57.024 55.320 1.704 1
1 676 . 6 1 1 A 55 55 ALA CB C 55 20.320 18.133 2.187 1
1 677 . 6 1 1 A 55 55 ALA N N 55 122.261 125.082 -2.821 1
1 678 . 6 1 1 A 56 56 THR H H 56 8.405 8.086 0.319 1
1 679 . 6 1 1 A 56 56 THR HA H 56 3.804 3.907 -0.103 1
1 684 . 6 1 1 A 56 56 THR C C 56 177.743 176.690 1.053 1
1 685 . 6 1 1 A 56 56 THR CA C 56 67.024 64.876 2.148 1
1 686 . 6 1 1 A 56 56 THR CB C 56 68.257 68.811 -0.554 1
1 688 . 6 1 1 A 56 56 THR N N 56 110.600 112.983 -2.383 1
1 689 . 6 1 1 A 57 57 SER H H 57 7.907 7.879 0.028 1
1 690 . 6 1 1 A 57 57 SER HA H 57 4.251 4.377 -0.126 1
1 693 . 6 1 1 A 57 57 SER C C 57 176.547 176.846 -0.299 1
1 694 . 6 1 1 A 57 57 SER CA C 57 60.395 61.237 -0.842 1
1 695 . 6 1 1 A 57 57 SER CB C 57 62.766 63.191 -0.425 1
1 696 . 6 1 1 A 57 57 SER N N 57 117.623 115.987 1.636 1
1 697 . 6 1 1 A 58 58 LYS H H 58 8.180 7.499 0.681 1
1 698 . 6 1 1 A 58 58 LYS HA H 58 3.687 4.138 -0.451 1
1 707 . 6 1 1 A 58 58 LYS C C 58 178.074 179.305 -1.231 1
1 708 . 6 1 1 A 58 58 LYS CA C 58 58.090 58.581 -0.491 1
1 709 . 6 1 1 A 58 58 LYS CB C 58 32.328 32.002 0.326 1
1 713 . 6 1 1 A 58 58 LYS N N 58 120.772 120.945 -0.173 1
1 714 . 6 1 1 A 59 59 ILE H H 59 8.407 8.040 0.367 1
1 715 . 6 1 1 A 59 59 ILE HA H 59 3.336 3.816 -0.480 1
1 725 . 6 1 1 A 59 59 ILE C C 59 176.705 176.968 -0.263 1
1 726 . 6 1 1 A 59 59 ILE CA C 59 64.224 63.328 0.896 1
1 727 . 6 1 1 A 59 59 ILE CB C 59 38.989 38.589 0.400 1
1 731 . 6 1 1 A 59 59 ILE N N 59 119.024 119.122 -0.098 1
1 732 . 6 1 1 A 60 60 GLY H H 60 7.360 8.065 -0.705 1
1 733 . 6 1 1 A 60 60 GLY HA2 H 60 3.884 3.867 0.017 1
1 734 . 6 1 1 A 60 60 GLY HA3 H 60 3.614 3.870 -0.256 1
1 735 . 6 1 1 A 60 60 GLY C C 60 173.964 174.836 -0.872 1
1 736 . 6 1 1 A 60 60 GLY CA C 60 44.586 46.694 -2.108 1
1 737 . 6 1 1 A 60 60 GLY N N 60 106.081 110.200 -4.119 1
1 738 . 6 1 1 A 61 61 PRO HA H 61 4.486 4.488 -0.002 1
1 745 . 6 1 1 A 61 61 PRO C C 61 175.603 176.308 -0.705 1
1 746 . 6 1 1 A 61 61 PRO CA C 61 63.473 63.970 -0.497 1
1 747 . 6 1 1 A 61 61 PRO CB C 61 31.981 31.968 0.013 1
1 750 . 6 1 1 A 62 62 GLY H H 62 7.835 7.164 0.671 1
1 751 . 6 1 1 A 62 62 GLY HA2 H 62 4.378 3.985 0.393 1
1 752 . 6 1 1 A 62 62 GLY HA3 H 62 3.416 3.990 -0.574 1
1 753 . 6 1 1 A 62 62 GLY C C 62 172.596 172.083 0.513 1
1 754 . 6 1 1 A 62 62 GLY CA C 62 44.498 45.210 -0.712 1
1 755 . 6 1 1 A 62 62 GLY N N 62 110.214 106.849 3.365 1
1 756 . 6 1 1 A 63 63 VAL H H 63 8.646 8.614 0.032 1
1 757 . 6 1 1 A 63 63 VAL HA H 63 3.668 4.048 -0.380 1
1 765 . 6 1 1 A 63 63 VAL C C 63 175.808 175.950 -0.142 1
1 766 . 6 1 1 A 63 63 VAL CA C 63 63.681 62.609 1.072 1
1 767 . 6 1 1 A 63 63 VAL CB C 63 32.863 31.263 1.600 1
1 770 . 6 1 1 A 63 63 VAL N N 63 122.735 121.214 1.521 1
1 771 . 6 1 1 A 64 64 ARG H H 64 9.524 9.074 0.450 1
1 772 . 6 1 1 A 64 64 ARG HA H 64 4.254 4.266 -0.012 1
1 779 . 6 1 1 A 64 64 ARG C C 64 175.574 175.913 -0.339 1
1 780 . 6 1 1 A 64 64 ARG CA C 64 57.310 57.559 -0.249 1
1 781 . 6 1 1 A 64 64 ARG CB C 64 31.928 31.154 0.774 1
1 784 . 6 1 1 A 64 64 ARG N N 64 129.782 129.737 0.045 1
1 785 . 6 1 1 A 65 65 ASN H H 65 8.089 7.298 0.791 1
1 786 . 6 1 1 A 65 65 ASN HA H 65 4.662 4.975 -0.313 1
1 791 . 6 1 1 A 65 65 ASN C C 65 171.753 171.792 -0.039 1
1 792 . 6 1 1 A 65 65 ASN CA C 65 53.279 51.947 1.332 1
1 793 . 6 1 1 A 65 65 ASN CB C 65 43.717 39.692 4.025 1
1 794 . 6 1 1 A 65 65 ASN N N 65 114.163 112.508 1.655 1
1 796 . 6 1 1 A 66 66 PHE H H 66 9.064 8.622 0.442 1
1 797 . 6 1 1 A 66 66 PHE HA H 66 5.738 5.532 0.206 1
1 805 . 6 1 1 A 66 66 PHE C C 66 174.834 175.181 -0.347 1
1 806 . 6 1 1 A 66 66 PHE CA C 66 56.578 56.136 0.442 1
1 807 . 6 1 1 A 66 66 PHE CB C 66 41.888 43.459 -1.571 1
1 813 . 6 1 1 A 66 66 PHE N N 66 114.774 115.958 -1.184 1
1 814 . 6 1 1 A 67 67 GLU H H 67 9.328 8.816 0.512 1
1 815 . 6 1 1 A 67 67 GLU HA H 67 5.307 5.074 0.233 1
1 820 . 6 1 1 A 67 67 GLU C C 67 174.999 175.520 -0.521 1
1 821 . 6 1 1 A 67 67 GLU CA C 67 54.003 54.817 -0.814 1
1 822 . 6 1 1 A 67 67 GLU CB C 67 35.678 33.919 1.759 1
1 824 . 6 1 1 A 67 67 GLU N N 67 122.005 120.558 1.447 1
1 825 . 6 1 1 A 68 68 VAL H H 68 8.598 8.600 -0.002 1
1 826 . 6 1 1 A 68 68 VAL HA H 68 4.859 4.663 0.196 1
1 834 . 6 1 1 A 68 68 VAL C C 68 175.361 175.272 0.089 1
1 835 . 6 1 1 A 68 68 VAL CA C 68 62.102 61.178 0.924 1
1 836 . 6 1 1 A 68 68 VAL CB C 68 32.865 32.347 0.518 1
1 839 . 6 1 1 A 68 68 VAL N N 68 124.692 121.895 2.797 1
1 840 . 6 1 1 A 69 69 ARG H H 69 8.896 8.822 0.074 1
1 841 . 6 1 1 A 69 69 ARG HA H 69 4.888 5.156 -0.268 1
1 848 . 6 1 1 A 69 69 ARG C C 69 175.469 174.811 0.658 1
1 849 . 6 1 1 A 69 69 ARG CA C 69 54.384 54.201 0.183 1
1 850 . 6 1 1 A 69 69 ARG CB C 69 34.979 34.205 0.774 1
1 853 . 6 1 1 A 69 69 ARG N N 69 123.599 126.126 -2.527 1
1 854 . 6 1 1 A 70 70 SER H H 70 8.758 8.525 0.233 1
1 855 . 6 1 1 A 70 70 SER HA H 70 4.511 4.677 -0.166 1
1 858 . 6 1 1 A 70 70 SER C C 70 173.488 174.131 -0.643 1
1 859 . 6 1 1 A 70 70 SER CA C 70 59.858 58.259 1.599 1
1 860 . 6 1 1 A 70 70 SER CB C 70 63.927 64.558 -0.631 1
1 861 . 6 1 1 A 70 70 SER N N 70 116.239 117.534 -1.295 1
1 862 . 6 1 1 A 71 71 ALA H H 71 8.456 8.727 -0.271 1
1 863 . 6 1 1 A 71 71 ALA HA H 71 4.688 4.830 -0.142 1
1 867 . 6 1 1 A 71 71 ALA C C 71 176.054 175.918 0.136 1
1 868 . 6 1 1 A 71 71 ALA CA C 71 51.016 50.903 0.113 1
1 869 . 6 1 1 A 71 71 ALA CB C 71 20.324 23.558 -3.234 1
1 870 . 6 1 1 A 71 71 ALA N N 71 128.999 122.995 6.004 1
1 871 . 6 1 1 A 72 72 ASP H H 72 7.968 8.637 -0.669 1
1 872 . 6 1 1 A 72 72 ASP HA H 72 4.361 4.466 -0.105 1
1 875 . 6 1 1 A 72 72 ASP C C 72 176.444 175.529 0.915 1
1 876 . 6 1 1 A 72 72 ASP CA C 72 54.732 54.211 0.521 1
1 877 . 6 1 1 A 72 72 ASP CB C 72 41.060 41.084 -0.024 1
1 878 . 6 1 1 A 72 72 ASP N N 72 118.176 118.419 -0.243 1
1 879 . 6 1 1 A 73 73 TYR H H 73 8.768 8.944 -0.176 1
1 880 . 6 1 1 A 73 73 TYR HA H 73 4.309 4.207 0.102 1
1 887 . 6 1 1 A 73 73 TYR C C 73 176.601 176.068 0.533 1
1 888 . 6 1 1 A 73 73 TYR CA C 73 58.799 59.136 -0.337 1
1 889 . 6 1 1 A 73 73 TYR CB C 73 36.239 36.169 0.070 1
1 894 . 6 1 1 A 73 73 TYR N N 73 117.846 116.497 1.349 1
1 895 . 6 1 1 A 74 74 GLY H H 74 8.533 8.804 -0.271 1
1 896 . 6 1 1 A 74 74 GLY HA2 H 74 4.069 3.919 0.150 1
1 897 . 6 1 1 A 74 74 GLY HA3 H 74 3.844 3.936 -0.092 1
1 898 . 6 1 1 A 74 74 GLY C C 74 175.060 174.172 0.888 1
1 899 . 6 1 1 A 74 74 GLY CA C 74 46.117 46.590 -0.473 1
1 900 . 6 1 1 A 74 74 GLY N N 74 108.255 105.450 2.805 1
1 901 . 6 1 1 A 75 75 THR H H 75 7.534 7.728 -0.194 1
1 902 . 6 1 1 A 75 75 THR HA H 75 4.687 4.717 -0.030 1
1 907 . 6 1 1 A 75 75 THR C C 75 173.779 173.156 0.623 1
1 908 . 6 1 1 A 75 75 THR CA C 75 61.115 60.841 0.274 1
1 909 . 6 1 1 A 75 75 THR CB C 75 71.585 70.070 1.515 1
1 911 . 6 1 1 A 75 75 THR N N 75 111.431 112.223 -0.792 1
1 912 . 6 1 1 A 76 76 GLN H H 76 8.590 8.475 0.115 1
1 913 . 6 1 1 A 76 76 GLN HA H 76 5.238 5.243 -0.005 1
1 920 . 6 1 1 A 76 76 GLN C C 76 173.605 174.609 -1.004 1
1 921 . 6 1 1 A 76 76 GLN CA C 76 54.556 54.147 0.409 1
1 922 . 6 1 1 A 76 76 GLN CB C 76 31.657 32.902 -1.245 1
1 924 . 6 1 1 A 76 76 GLN N N 76 117.495 119.112 -1.617 1
1 926 . 6 1 1 A 77 77 CYS H H 77 9.058 8.946 0.112 1
1 927 . 6 1 1 A 77 77 CYS HA H 77 4.780 5.077 -0.297 1
1 930 . 6 1 1 A 77 77 CYS C C 77 172.371 173.056 -0.685 1
1 931 . 6 1 1 A 77 77 CYS CA C 77 56.886 56.602 0.284 1
1 932 . 6 1 1 A 77 77 CYS CB C 77 31.492 31.261 0.231 1
1 933 . 6 1 1 A 77 77 CYS N N 77 114.572 117.374 -2.802 1
1 934 . 6 1 1 A 78 78 PHE H H 78 8.872 8.855 0.017 1
1 935 . 6 1 1 A 78 78 PHE HA H 78 5.419 5.480 -0.061 1
1 943 . 6 1 1 A 78 78 PHE CA C 78 58.466 55.919 2.547 1
1 944 . 6 1 1 A 78 78 PHE CB C 78 42.360 40.853 1.507 1
1 950 . 6 1 1 A 78 78 PHE N N 78 120.396 121.094 -0.698 1
1 951 . 6 1 1 A 79 79 TRP H H 79 10.003 9.503 0.500 1
1 952 . 6 1 1 A 79 79 TRP HA H 79 4.907 5.328 -0.421 1
1 961 . 6 1 1 A 79 79 TRP CA C 79 57.535 55.723 1.812 1
1 962 . 6 1 1 A 79 79 TRP CB C 79 30.788 32.766 -1.978 1
1 968 . 6 1 1 A 79 79 TRP N N 79 120.993 122.536 -1.543 1
1 970 . 6 1 1 A 80 80 ILE H H 80 9.669 9.463 0.206 1
1 971 . 6 1 1 A 80 80 ILE HA H 80 3.773 4.130 -0.357 1
1 981 . 6 1 1 A 80 80 ILE C C 80 174.675 175.140 -0.465 1
1 982 . 6 1 1 A 80 80 ILE CA C 80 61.505 60.465 1.040 1
1 983 . 6 1 1 A 80 80 ILE CB C 80 40.765 38.046 2.719 1
1 987 . 6 1 1 A 80 80 ILE N N 80 122.205 124.111 -1.906 1
1 988 . 6 1 1 A 81 81 LEU H H 81 8.489 9.033 -0.544 1
1 989 . 6 1 1 A 81 81 LEU HA H 81 5.037 4.709 0.328 1
1 999 . 6 1 1 A 81 81 LEU C C 81 177.301 176.112 1.189 1
1 1000 . 6 1 1 A 81 81 LEU CA C 81 53.483 54.163 -0.680 1
1 1001 . 6 1 1 A 81 81 LEU CB C 81 40.344 41.412 -1.068 1
1 1005 . 6 1 1 A 81 81 LEU N N 81 127.849 128.755 -0.906 1
1 1006 . 6 1 1 A 82 82 ARG H H 82 8.980 8.776 0.204 1
1 1007 . 6 1 1 A 82 82 ARG HA H 82 5.127 4.455 0.672 1
1 1014 . 6 1 1 A 82 82 ARG C C 82 179.527 177.725 1.802 1
1 1015 . 6 1 1 A 82 82 ARG CA C 82 57.410 56.227 1.183 1
1 1016 . 6 1 1 A 82 82 ARG CB C 82 31.995 30.809 1.186 1
1 1019 . 6 1 1 A 82 82 ARG N N 82 121.829 125.223 -3.394 1
1 1020 . 6 1 1 A 83 83 THR H H 83 8.427 8.970 -0.543 1
1 1021 . 6 1 1 A 83 83 THR HA H 83 3.823 3.920 -0.097 1
1 1026 . 6 1 1 A 83 83 THR C C 83 174.540 176.262 -1.722 1
1 1027 . 6 1 1 A 83 83 THR CA C 83 64.441 65.342 -0.901 1
1 1028 . 6 1 1 A 83 83 THR CB C 83 67.987 68.264 -0.277 1
1 1030 . 6 1 1 A 83 83 THR N N 83 111.631 117.566 -5.935 1
1 1031 . 6 1 1 A 84 84 ASP H H 84 7.431 7.945 -0.514 1
1 1032 . 6 1 1 A 84 84 ASP HA H 84 4.706 4.426 0.280 1
1 1035 . 6 1 1 A 84 84 ASP C C 84 177.092 176.174 0.918 1
1 1036 . 6 1 1 A 84 84 ASP CA C 84 52.983 55.640 -2.657 1
1 1037 . 6 1 1 A 84 84 ASP CB C 84 40.502 40.798 -0.296 1
1 1038 . 6 1 1 A 84 84 ASP N N 84 117.630 121.629 -3.999 1
1 1039 . 6 1 1 A 85 85 GLY H H 85 7.924 7.865 0.059 1
1 1040 . 6 1 1 A 85 85 GLY HA2 H 85 3.741 4.002 -0.261 1
1 1041 . 6 1 1 A 85 85 GLY HA3 H 85 4.364 4.005 0.359 1
1 1042 . 6 1 1 A 85 85 GLY C C 85 174.007 174.196 -0.189 1
1 1043 . 6 1 1 A 85 85 GLY CA C 85 45.370 45.101 0.269 1
1 1044 . 6 1 1 A 85 85 GLY N N 85 108.078 107.894 0.184 1
1 1045 . 6 1 1 A 86 86 SER H H 86 8.009 7.673 0.336 1
1 1046 . 6 1 1 A 86 86 SER HA H 86 4.563 4.605 -0.042 1
1 1049 . 6 1 1 A 86 86 SER C C 86 172.835 174.735 -1.900 1
1 1050 . 6 1 1 A 86 86 SER CA C 86 58.731 58.149 0.582 1
1 1051 . 6 1 1 A 86 86 SER CB C 86 64.803 64.847 -0.044 1
1 1052 . 6 1 1 A 86 86 SER N N 86 117.029 117.366 -0.337 1
1 1053 . 6 1 1 A 87 87 GLU H H 87 8.593 8.675 -0.082 1
1 1054 . 6 1 1 A 87 87 GLU HA H 87 5.921 4.958 0.963 1
1 1059 . 6 1 1 A 87 87 GLU C C 87 175.873 175.568 0.305 1
1 1060 . 6 1 1 A 87 87 GLU CA C 87 54.343 56.325 -1.982 1
1 1061 . 6 1 1 A 87 87 GLU CB C 87 33.925 30.982 2.943 1
1 1063 . 6 1 1 A 87 87 GLU N N 87 116.585 124.786 -8.201 1
1 1064 . 6 1 1 A 88 88 GLU HA H 88 4.496 4.889 -0.393 1
1 1069 . 6 1 1 A 88 88 GLU CA C 88 55.840 55.714 0.126 1
1 1070 . 6 1 1 A 88 88 GLU CB C 88 34.310 33.871 0.439 1
1 1072 . 6 1 1 A 89 89 ARG H H 89 8.013 8.117 -0.104 1
1 1073 . 6 1 1 A 89 89 ARG HA H 89 3.184 4.728 -1.544 1
1 1080 . 6 1 1 A 89 89 ARG CA C 89 56.576 54.454 2.122 1
1 1081 . 6 1 1 A 89 89 ARG CB C 89 30.462 31.107 -0.645 1
1 1084 . 6 1 1 A 89 89 ARG N N 89 127.945 123.951 3.994 1
1 1085 . 6 1 1 A 90 90 PHE HA H 90 5.021 5.276 -0.255 1
1 1093 . 6 1 1 A 90 90 PHE CA C 90 55.089 55.745 -0.656 1
1 1094 . 6 1 1 A 90 90 PHE CB C 90 40.446 42.017 -1.571 1
1 1100 . 6 1 1 A 91 91 SER HA H 91 4.639 4.479 0.160 1
1 1103 . 6 1 1 A 91 91 SER CA C 91 56.242 57.908 -1.666 1
1 1104 . 6 1 1 A 91 91 SER CB C 91 62.621 62.437 0.184 1
1 1105 . 6 1 1 A 92 92 TYR HA H 92 4.268 4.375 -0.107 1
1 1112 . 6 1 1 A 92 92 TYR C C 92 176.450 176.896 -0.446 1
1 1113 . 6 1 1 A 92 92 TYR CA C 92 59.575 60.925 -1.350 1
1 1114 . 6 1 1 A 92 92 TYR CB C 92 37.283 37.583 -0.300 1
1 1119 . 6 1 1 A 93 93 LYS H H 93 7.405 7.684 -0.279 1
1 1120 . 6 1 1 A 93 93 LYS HA H 93 3.749 4.048 -0.299 1
1 1129 . 6 1 1 A 93 93 LYS C C 93 177.715 176.990 0.725 1
1 1130 . 6 1 1 A 93 93 LYS CA C 93 58.446 58.011 0.435 1
1 1131 . 6 1 1 A 93 93 LYS CB C 93 31.822 31.028 0.794 1
1 1135 . 6 1 1 A 93 93 LYS N N 93 120.689 118.154 2.535 1
1 1136 . 6 1 1 A 94 94 LYS H H 94 7.405 7.217 0.188 1
1 1137 . 6 1 1 A 94 94 LYS HA H 94 4.079 4.279 -0.200 1
1 1146 . 6 1 1 A 94 94 LYS C C 94 176.709 176.965 -0.256 1
1 1147 . 6 1 1 A 94 94 LYS CA C 94 56.479 55.935 0.544 1
1 1148 . 6 1 1 A 94 94 LYS CB C 94 32.760 32.864 -0.104 1
1 1152 . 6 1 1 A 94 94 LYS N N 94 115.712 116.973 -1.261 1
1 1153 . 6 1 1 A 95 95 CYS H H 95 7.537 7.798 -0.261 1
1 1154 . 6 1 1 A 95 95 CYS HA H 95 3.937 4.465 -0.528 1
1 1157 . 6 1 1 A 95 95 CYS C C 95 173.487 175.438 -1.951 1
1 1158 . 6 1 1 A 95 95 CYS CA C 95 61.795 57.961 3.834 1
1 1159 . 6 1 1 A 95 95 CYS CB C 95 27.546 26.224 1.322 1
1 1160 . 6 1 1 A 95 95 CYS N N 95 115.586 120.695 -5.109 1
1 1161 . 6 1 1 A 96 96 VAL HA H 96 4.154 3.953 0.201 1
1 1169 . 6 1 1 A 96 96 VAL C C 96 175.216 175.804 -0.588 1
1 1170 . 6 1 1 A 96 96 VAL CA C 96 61.916 64.428 -2.512 1
1 1171 . 6 1 1 A 96 96 VAL CB C 96 31.695 31.980 -0.285 1
1 1174 . 6 1 1 A 97 97 LEU H H 97 8.002 7.230 0.772 1
1 1175 . 6 1 1 A 97 97 LEU HA H 97 4.316 4.374 -0.058 1
1 1185 . 6 1 1 A 97 97 LEU C C 97 176.168 174.397 1.771 1
1 1186 . 6 1 1 A 97 97 LEU CA C 97 54.770 53.817 0.953 1
1 1187 . 6 1 1 A 97 97 LEU CB C 97 42.558 44.903 -2.345 1
1 1191 . 6 1 1 A 97 97 LEU N N 97 124.364 117.857 6.507 1
1 1192 . 6 1 1 A 98 98 GLU H H 98 8.345 8.345 0.000 1
1 1193 . 6 1 1 A 98 98 GLU HA H 98 4.301 4.076 0.225 1
1 1198 . 6 1 1 A 98 98 GLU C C 98 175.732 176.506 -0.774 1
1 1199 . 6 1 1 A 98 98 GLU CA C 98 55.988 56.648 -0.660 1
1 1200 . 6 1 1 A 98 98 GLU CB C 98 30.989 29.850 1.139 1
1 1 . 7 1 1 A 2 2 ALA HA H 2 4.102 4.294 -0.192 1
1 5 . 7 1 1 A 2 2 ALA CA C 2 51.775 52.721 -0.946 1
1 6 . 7 1 1 A 2 2 ALA CB C 2 19.665 19.117 0.548 1
1 7 . 7 1 1 A 3 3 LYS HA H 3 4.329 4.807 -0.478 1
1 15 . 7 1 1 A 3 3 LYS C C 3 176.086 174.697 1.389 1
1 16 . 7 1 1 A 3 3 LYS CA C 3 56.354 55.220 1.134 1
1 17 . 7 1 1 A 3 3 LYS CB C 3 33.325 33.194 0.131 1
1 21 . 7 1 1 A 4 4 ALA H H 4 8.515 8.375 0.140 1
1 22 . 7 1 1 A 4 4 ALA HA H 4 4.356 4.438 -0.082 1
1 26 . 7 1 1 A 4 4 ALA C C 4 177.307 176.753 0.554 1
1 27 . 7 1 1 A 4 4 ALA CA C 4 52.316 52.057 0.259 1
1 28 . 7 1 1 A 4 4 ALA CB C 4 19.421 18.225 1.196 1
1 29 . 7 1 1 A 4 4 ALA N N 4 126.866 122.608 4.258 1
1 30 . 7 1 1 A 5 5 GLN H H 5 8.521 8.414 0.107 1
1 31 . 7 1 1 A 5 5 GLN HA H 5 4.652 4.781 -0.129 1
1 38 . 7 1 1 A 5 5 GLN C C 5 173.576 173.397 0.179 1
1 39 . 7 1 1 A 5 5 GLN CA C 5 53.470 52.184 1.286 1
1 40 . 7 1 1 A 5 5 GLN CB C 5 29.457 29.979 -0.522 1
1 42 . 7 1 1 A 5 5 GLN N N 5 122.182 122.861 -0.679 1
1 44 . 7 1 1 A 6 6 PRO HA H 6 4.587 4.597 -0.010 1
1 51 . 7 1 1 A 6 6 PRO C C 6 176.481 176.491 -0.010 1
1 52 . 7 1 1 A 6 6 PRO CA C 6 63.028 62.919 0.109 1
1 53 . 7 1 1 A 6 6 PRO CB C 6 32.905 31.997 0.908 1
1 56 . 7 1 1 A 7 7 ILE H H 7 8.581 8.558 0.023 1
1 57 . 7 1 1 A 7 7 ILE HA H 7 4.245 4.348 -0.103 1
1 67 . 7 1 1 A 7 7 ILE C C 7 174.129 174.698 -0.569 1
1 68 . 7 1 1 A 7 7 ILE CA C 7 60.613 60.651 -0.038 1
1 69 . 7 1 1 A 7 7 ILE CB C 7 40.266 37.069 3.197 1
1 73 . 7 1 1 A 7 7 ILE N N 7 120.418 123.651 -3.233 1
1 74 . 7 1 1 A 8 8 GLU H H 8 8.572 8.911 -0.339 1
1 75 . 7 1 1 A 8 8 GLU HA H 8 5.363 4.763 0.600 1
1 80 . 7 1 1 A 8 8 GLU C C 8 175.806 175.280 0.526 1
1 81 . 7 1 1 A 8 8 GLU CA C 8 54.749 55.647 -0.898 1
1 82 . 7 1 1 A 8 8 GLU CB C 8 31.505 30.968 0.537 1
1 84 . 7 1 1 A 8 8 GLU N N 8 128.440 128.001 0.439 1
1 85 . 7 1 1 A 9 9 ILE H H 9 8.591 8.813 -0.222 1
1 86 . 7 1 1 A 9 9 ILE HA H 9 4.111 4.436 -0.325 1
1 96 . 7 1 1 A 9 9 ILE C C 9 174.977 176.114 -1.137 1
1 97 . 7 1 1 A 9 9 ILE CA C 9 60.967 60.114 0.853 1
1 98 . 7 1 1 A 9 9 ILE CB C 9 41.559 39.648 1.911 1
1 102 . 7 1 1 A 9 9 ILE N N 9 123.957 127.857 -3.900 1
1 103 . 7 1 1 A 10 10 ALA H H 10 9.398 9.148 0.250 1
1 104 . 7 1 1 A 10 10 ALA HA H 10 4.072 4.050 0.022 1
1 108 . 7 1 1 A 10 10 ALA C C 10 177.026 176.907 0.119 1
1 109 . 7 1 1 A 10 10 ALA CA C 10 52.646 53.415 -0.769 1
1 110 . 7 1 1 A 10 10 ALA CB C 10 18.121 17.974 0.147 1
1 111 . 7 1 1 A 10 10 ALA N N 10 130.074 131.906 -1.832 1
1 112 . 7 1 1 A 11 11 GLY H H 11 8.958 8.471 0.487 1
1 113 . 7 1 1 A 11 11 GLY HA2 H 11 4.046 3.754 0.292 1
1 114 . 7 1 1 A 11 11 GLY HA3 H 11 3.570 3.790 -0.220 1
1 115 . 7 1 1 A 11 11 GLY C C 11 174.139 174.338 -0.199 1
1 116 . 7 1 1 A 11 11 GLY CA C 11 45.467 45.140 0.327 1
1 117 . 7 1 1 A 11 11 GLY N N 11 105.460 102.935 2.525 1
1 118 . 7 1 1 A 12 12 HIS H H 12 8.189 7.957 0.232 1
1 119 . 7 1 1 A 12 12 HIS HA H 12 4.325 4.222 0.103 1
1 124 . 7 1 1 A 12 12 HIS C C 12 173.060 174.170 -1.110 1
1 125 . 7 1 1 A 12 12 HIS CA C 12 54.628 56.016 -1.388 1
1 126 . 7 1 1 A 12 12 HIS CB C 12 30.432 28.965 1.467 1
1 129 . 7 1 1 A 12 12 HIS N N 12 120.216 118.758 1.458 1
1 130 . 7 1 1 A 13 13 GLU H H 13 8.338 8.811 -0.473 1
1 131 . 7 1 1 A 13 13 GLU HA H 13 4.659 4.502 0.157 1
1 136 . 7 1 1 A 13 13 GLU C C 13 175.231 174.794 0.437 1
1 137 . 7 1 1 A 13 13 GLU CA C 13 55.147 55.858 -0.711 1
1 138 . 7 1 1 A 13 13 GLU CB C 13 31.218 30.251 0.967 1
1 140 . 7 1 1 A 13 13 GLU N N 13 122.925 124.665 -1.740 1
1 141 . 7 1 1 A 14 14 PHE H H 14 9.117 9.141 -0.024 1
1 142 . 7 1 1 A 14 14 PHE HA H 14 4.941 4.854 0.087 1
1 150 . 7 1 1 A 14 14 PHE C C 14 175.179 176.476 -1.297 1
1 151 . 7 1 1 A 14 14 PHE CA C 14 56.302 57.483 -1.181 1
1 152 . 7 1 1 A 14 14 PHE CB C 14 41.499 39.968 1.531 1
1 158 . 7 1 1 A 14 14 PHE N N 14 123.141 124.688 -1.547 1
1 159 . 7 1 1 A 15 15 ALA H H 15 9.393 8.753 0.640 1
1 160 . 7 1 1 A 15 15 ALA HA H 15 4.130 4.228 -0.098 1
1 164 . 7 1 1 A 15 15 ALA C C 15 177.675 177.576 0.099 1
1 165 . 7 1 1 A 15 15 ALA CA C 15 54.880 54.957 -0.077 1
1 166 . 7 1 1 A 15 15 ALA CB C 15 18.986 19.380 -0.394 1
1 167 . 7 1 1 A 15 15 ALA N N 15 126.102 126.435 -0.333 1
1 168 . 7 1 1 A 16 16 ARG H H 16 7.756 7.733 0.023 1
1 169 . 7 1 1 A 16 16 ARG HA H 16 4.809 4.736 0.073 1
1 176 . 7 1 1 A 16 16 ARG C C 16 177.344 176.176 1.168 1
1 177 . 7 1 1 A 16 16 ARG CA C 16 53.409 54.126 -0.717 1
1 178 . 7 1 1 A 16 16 ARG CB C 16 33.323 33.289 0.034 1
1 181 . 7 1 1 A 16 16 ARG N N 16 110.189 114.459 -4.270 1
1 182 . 7 1 1 A 17 17 LYS H H 17 9.303 8.875 0.428 1
1 183 . 7 1 1 A 17 17 LYS HA H 17 3.742 3.949 -0.207 1
1 192 . 7 1 1 A 17 17 LYS C C 17 178.667 177.934 0.733 1
1 193 . 7 1 1 A 17 17 LYS CA C 17 60.663 59.041 1.622 1
1 194 . 7 1 1 A 17 17 LYS CB C 17 32.005 32.057 -0.052 1
1 198 . 7 1 1 A 17 17 LYS N N 17 125.242 120.455 4.787 1
1 199 . 7 1 1 A 18 18 ALA H H 18 8.777 8.448 0.329 1
1 200 . 7 1 1 A 18 18 ALA HA H 18 4.046 4.074 -0.028 1
1 204 . 7 1 1 A 18 18 ALA C C 18 180.134 179.577 0.557 1
1 205 . 7 1 1 A 18 18 ALA CA C 18 55.181 54.955 0.226 1
1 206 . 7 1 1 A 18 18 ALA CB C 18 18.633 18.371 0.262 1
1 207 . 7 1 1 A 18 18 ALA N N 18 118.670 121.192 -2.522 1
1 208 . 7 1 1 A 19 19 ASP H H 19 7.454 8.002 -0.548 1
1 209 . 7 1 1 A 19 19 ASP HA H 19 4.586 4.455 0.131 1
1 212 . 7 1 1 A 19 19 ASP C C 19 178.469 178.258 0.211 1
1 213 . 7 1 1 A 19 19 ASP CA C 19 57.082 57.155 -0.073 1
1 214 . 7 1 1 A 19 19 ASP CB C 19 41.304 40.661 0.643 1
1 215 . 7 1 1 A 19 19 ASP N N 19 117.020 118.915 -1.895 1
1 216 . 7 1 1 A 20 20 ALA H H 20 7.123 7.705 -0.582 1
1 217 . 7 1 1 A 20 20 ALA HA H 20 2.604 3.200 -0.596 1
1 221 . 7 1 1 A 20 20 ALA C C 20 178.706 179.986 -1.280 1
1 222 . 7 1 1 A 20 20 ALA CA C 20 54.453 54.665 -0.212 1
1 223 . 7 1 1 A 20 20 ALA CB C 20 18.199 17.892 0.307 1
1 224 . 7 1 1 A 20 20 ALA N N 20 124.691 121.546 3.145 1
1 225 . 7 1 1 A 21 21 LEU H H 21 7.871 7.642 0.229 1
1 226 . 7 1 1 A 21 21 LEU HA H 21 4.008 4.158 -0.150 1
1 236 . 7 1 1 A 21 21 LEU C C 21 179.041 178.986 0.055 1
1 237 . 7 1 1 A 21 21 LEU CA C 21 58.398 58.093 0.305 1
1 238 . 7 1 1 A 21 21 LEU CB C 21 41.382 41.840 -0.458 1
1 242 . 7 1 1 A 21 21 LEU N N 21 116.889 118.558 -1.669 1
1 243 . 7 1 1 A 22 22 ALA H H 22 7.972 8.295 -0.323 1
1 244 . 7 1 1 A 22 22 ALA HA H 22 4.158 4.138 0.020 1
1 248 . 7 1 1 A 22 22 ALA C C 22 179.288 179.487 -0.199 1
1 249 . 7 1 1 A 22 22 ALA CA C 22 55.180 55.180 0.000 1
1 250 . 7 1 1 A 22 22 ALA CB C 22 18.013 18.576 -0.563 1
1 251 . 7 1 1 A 22 22 ALA N N 22 121.219 120.667 0.552 1
1 252 . 7 1 1 A 23 23 PHE H H 23 7.546 8.877 -1.331 1
1 253 . 7 1 1 A 23 23 PHE HA H 23 4.081 4.036 0.045 1
1 261 . 7 1 1 A 23 23 PHE C C 23 178.515 176.982 1.533 1
1 262 . 7 1 1 A 23 23 PHE CA C 23 61.520 61.838 -0.318 1
1 263 . 7 1 1 A 23 23 PHE CB C 23 40.296 39.555 0.741 1
1 269 . 7 1 1 A 23 23 PHE N N 23 119.034 119.458 -0.424 1
1 270 . 7 1 1 A 24 24 MET H H 24 7.595 8.192 -0.597 1
1 271 . 7 1 1 A 24 24 MET HA H 24 3.768 3.956 -0.188 1
1 279 . 7 1 1 A 24 24 MET C C 24 176.037 178.370 -2.333 1
1 280 . 7 1 1 A 24 24 MET CA C 24 59.901 58.666 1.235 1
1 281 . 7 1 1 A 24 24 MET CB C 24 34.008 31.940 2.068 1
1 284 . 7 1 1 A 24 24 MET N N 24 118.377 116.820 1.557 1
1 285 . 7 1 1 A 25 25 LYS H H 25 8.131 7.773 0.358 1
1 286 . 7 1 1 A 25 25 LYS HA H 25 3.747 4.261 -0.514 1
1 295 . 7 1 1 A 25 25 LYS C C 25 178.865 178.581 0.284 1
1 296 . 7 1 1 A 25 25 LYS CA C 25 59.994 59.364 0.630 1
1 297 . 7 1 1 A 25 25 LYS CB C 25 32.365 32.512 -0.147 1
1 301 . 7 1 1 A 25 25 LYS N N 25 121.901 120.701 1.200 1
1 302 . 7 1 1 A 26 26 VAL H H 26 7.986 8.155 -0.169 1
1 303 . 7 1 1 A 26 26 VAL HA H 26 3.515 3.534 -0.019 1
1 311 . 7 1 1 A 26 26 VAL C C 26 178.654 177.745 0.909 1
1 312 . 7 1 1 A 26 26 VAL CA C 26 66.337 66.731 -0.394 1
1 313 . 7 1 1 A 26 26 VAL CB C 26 31.302 31.471 -0.169 1
1 316 . 7 1 1 A 26 26 VAL N N 26 119.393 119.905 -0.512 1
1 317 . 7 1 1 A 27 27 MET H H 27 7.232 8.168 -0.936 1
1 318 . 7 1 1 A 27 27 MET HA H 27 3.586 4.082 -0.496 1
1 326 . 7 1 1 A 27 27 MET C C 27 177.564 178.455 -0.891 1
1 327 . 7 1 1 A 27 27 MET CA C 27 59.113 58.503 0.610 1
1 328 . 7 1 1 A 27 27 MET CB C 27 34.025 31.998 2.027 1
1 331 . 7 1 1 A 27 27 MET N N 27 119.647 119.220 0.427 1
1 332 . 7 1 1 A 28 28 LEU H H 28 8.201 8.046 0.155 1
1 333 . 7 1 1 A 28 28 LEU HA H 28 3.733 4.133 -0.400 1
1 343 . 7 1 1 A 28 28 LEU C C 28 178.075 178.706 -0.631 1
1 344 . 7 1 1 A 28 28 LEU CA C 28 57.980 58.072 -0.092 1
1 345 . 7 1 1 A 28 28 LEU CB C 28 41.151 41.255 -0.104 1
1 349 . 7 1 1 A 28 28 LEU N N 28 118.420 123.328 -4.908 1
1 350 . 7 1 1 A 29 29 ASN H H 29 7.579 8.360 -0.781 1
1 351 . 7 1 1 A 29 29 ASN HA H 29 4.512 4.741 -0.229 1
1 356 . 7 1 1 A 29 29 ASN C C 29 176.087 177.357 -1.270 1
1 357 . 7 1 1 A 29 29 ASN CA C 29 54.286 56.348 -2.062 1
1 358 . 7 1 1 A 29 29 ASN CB C 29 38.984 38.014 0.970 1
1 359 . 7 1 1 A 29 29 ASN N N 29 112.254 116.590 -4.336 1
1 361 . 7 1 1 A 30 30 ARG H H 30 7.621 7.638 -0.017 1
1 362 . 7 1 1 A 30 30 ARG HA H 30 4.169 4.183 -0.014 1
1 369 . 7 1 1 A 30 30 ARG C C 30 175.926 175.391 0.535 1
1 370 . 7 1 1 A 30 30 ARG CA C 30 57.482 57.401 0.081 1
1 371 . 7 1 1 A 30 30 ARG CB C 30 30.404 30.598 -0.194 1
1 374 . 7 1 1 A 30 30 ARG N N 30 118.878 116.654 2.224 1
1 375 . 7 1 1 A 31 31 TYR H H 31 7.287 7.602 -0.315 1
1 376 . 7 1 1 A 31 31 TYR HA H 31 4.690 4.952 -0.262 1
1 383 . 7 1 1 A 31 31 TYR C C 31 174.348 175.529 -1.181 1
1 384 . 7 1 1 A 31 31 TYR CA C 31 58.118 57.371 0.747 1
1 385 . 7 1 1 A 31 31 TYR CB C 31 43.045 41.097 1.948 1
1 390 . 7 1 1 A 31 31 TYR N N 31 118.414 118.137 0.277 1
1 391 . 7 1 1 A 32 32 ARG H H 32 9.314 8.656 0.658 1
1 392 . 7 1 1 A 32 32 ARG HA H 32 4.913 4.809 0.104 1
1 399 . 7 1 1 A 32 32 ARG C C 32 173.525 175.769 -2.244 1
1 400 . 7 1 1 A 32 32 ARG CA C 32 52.775 53.224 -0.449 1
1 401 . 7 1 1 A 32 32 ARG CB C 32 30.292 31.277 -0.985 1
1 404 . 7 1 1 A 32 32 ARG N N 32 121.876 121.508 0.368 1
1 405 . 7 1 1 A 33 33 PRO HA H 33 3.870 4.399 -0.529 1
1 412 . 7 1 1 A 33 33 PRO C C 33 177.517 177.060 0.457 1
1 413 . 7 1 1 A 33 33 PRO CA C 33 64.332 63.654 0.678 1
1 414 . 7 1 1 A 33 33 PRO CB C 33 31.655 31.089 0.566 1
1 417 . 7 1 1 A 34 34 GLY H H 34 9.584 7.868 1.716 1
1 418 . 7 1 1 A 34 34 GLY HA2 H 34 4.422 4.055 0.367 1
1 419 . 7 1 1 A 34 34 GLY HA3 H 34 3.725 4.072 -0.347 1
1 420 . 7 1 1 A 34 34 GLY C C 34 174.605 173.000 1.605 1
1 421 . 7 1 1 A 34 34 GLY CA C 34 44.745 45.661 -0.916 1
1 422 . 7 1 1 A 34 34 GLY N N 34 115.669 107.280 8.389 1
1 423 . 7 1 1 A 35 35 ASP H H 35 8.252 7.344 0.908 1
1 424 . 7 1 1 A 35 35 ASP HA H 35 4.691 5.260 -0.569 1
1 427 . 7 1 1 A 35 35 ASP C C 35 175.279 174.819 0.460 1
1 428 . 7 1 1 A 35 35 ASP CA C 35 55.195 52.426 2.769 1
1 429 . 7 1 1 A 35 35 ASP CB C 35 42.301 45.844 -3.543 1
1 430 . 7 1 1 A 35 35 ASP N N 35 122.076 119.106 2.970 1
1 431 . 7 1 1 A 36 36 ILE H H 36 8.194 8.909 -0.715 1
1 432 . 7 1 1 A 36 36 ILE HA H 36 4.546 4.643 -0.097 1
1 442 . 7 1 1 A 36 36 ILE C C 36 176.709 176.530 0.179 1
1 443 . 7 1 1 A 36 36 ILE CA C 36 59.572 60.310 -0.738 1
1 444 . 7 1 1 A 36 36 ILE CB C 36 37.870 38.681 -0.811 1
1 448 . 7 1 1 A 36 36 ILE N N 36 120.260 120.514 -0.254 1
1 449 . 7 1 1 A 37 37 VAL H H 37 7.963 8.944 -0.981 1
1 450 . 7 1 1 A 37 37 VAL HA H 37 3.671 3.349 0.322 1
1 458 . 7 1 1 A 37 37 VAL C C 37 176.530 176.293 0.237 1
1 459 . 7 1 1 A 37 37 VAL CA C 37 62.969 62.018 0.951 1
1 460 . 7 1 1 A 37 37 VAL CB C 37 32.201 32.002 0.199 1
1 463 . 7 1 1 A 37 37 VAL N N 37 126.533 127.212 -0.679 1
1 464 . 7 1 1 A 38 38 SER H H 38 8.852 8.545 0.307 1
1 465 . 7 1 1 A 38 38 SER HA H 38 4.600 4.535 0.065 1
1 468 . 7 1 1 A 38 38 SER C C 38 174.950 175.512 -0.562 1
1 469 . 7 1 1 A 38 38 SER CA C 38 58.147 59.549 -1.402 1
1 470 . 7 1 1 A 38 38 SER CB C 38 65.224 63.812 1.412 1
1 471 . 7 1 1 A 38 38 SER N N 38 122.752 121.459 1.293 1
1 472 . 7 1 1 A 39 39 THR H H 39 8.870 8.847 0.023 1
1 473 . 7 1 1 A 39 39 THR HA H 39 4.153 4.038 0.115 1
1 478 . 7 1 1 A 39 39 THR C C 39 177.855 176.110 1.745 1
1 479 . 7 1 1 A 39 39 THR CA C 39 66.299 66.455 -0.156 1
1 480 . 7 1 1 A 39 39 THR CB C 39 68.559 68.697 -0.138 1
1 482 . 7 1 1 A 39 39 THR N N 39 116.391 118.438 -2.047 1
1 483 . 7 1 1 A 40 40 VAL H H 40 8.018 8.103 -0.085 1
1 484 . 7 1 1 A 40 40 VAL HA H 40 4.028 3.602 0.426 1
1 492 . 7 1 1 A 40 40 VAL C C 40 178.339 177.496 0.843 1
1 493 . 7 1 1 A 40 40 VAL CA C 40 65.776 66.751 -0.975 1
1 494 . 7 1 1 A 40 40 VAL CB C 40 32.139 31.719 0.420 1
1 497 . 7 1 1 A 40 40 VAL N N 40 121.035 122.046 -1.011 1
1 498 . 7 1 1 A 41 41 ASP H H 41 7.610 8.745 -1.135 1
1 499 . 7 1 1 A 41 41 ASP HA H 41 4.570 4.394 0.176 1
1 502 . 7 1 1 A 41 41 ASP C C 41 178.746 179.923 -1.177 1
1 503 . 7 1 1 A 41 41 ASP CA C 41 57.492 56.940 0.552 1
1 504 . 7 1 1 A 41 41 ASP CB C 41 39.740 40.163 -0.423 1
1 505 . 7 1 1 A 41 41 ASP N N 41 124.108 119.651 4.457 1
1 506 . 7 1 1 A 42 42 GLY H H 42 9.363 8.648 0.715 1
1 507 . 7 1 1 A 42 42 GLY HA2 H 42 4.186 3.539 0.647 1
1 508 . 7 1 1 A 42 42 GLY HA3 H 42 3.584 3.925 -0.341 1
1 509 . 7 1 1 A 42 42 GLY C C 42 175.329 176.294 -0.965 1
1 510 . 7 1 1 A 42 42 GLY CA C 42 46.944 47.149 -0.205 1
1 511 . 7 1 1 A 42 42 GLY N N 42 109.572 109.351 0.221 1
1 512 . 7 1 1 A 43 43 ALA H H 43 7.949 8.129 -0.180 1
1 513 . 7 1 1 A 43 43 ALA HA H 43 4.240 4.077 0.163 1
1 517 . 7 1 1 A 43 43 ALA C C 43 180.375 179.605 0.770 1
1 518 . 7 1 1 A 43 43 ALA CA C 43 54.897 54.777 0.120 1
1 519 . 7 1 1 A 43 43 ALA CB C 43 17.895 18.285 -0.390 1
1 520 . 7 1 1 A 43 43 ALA N N 43 123.561 124.638 -1.077 1
1 521 . 7 1 1 A 44 44 PHE H H 44 7.337 7.877 -0.540 1
1 522 . 7 1 1 A 44 44 PHE HA H 44 3.957 4.198 -0.241 1
1 530 . 7 1 1 A 44 44 PHE C C 44 177.252 176.907 0.345 1
1 531 . 7 1 1 A 44 44 PHE CA C 44 61.508 61.312 0.196 1
1 532 . 7 1 1 A 44 44 PHE CB C 44 38.993 39.064 -0.071 1
1 538 . 7 1 1 A 44 44 PHE N N 44 118.542 120.167 -1.625 1
1 539 . 7 1 1 A 45 45 LEU H H 45 8.301 8.248 0.053 1
1 540 . 7 1 1 A 45 45 LEU HA H 45 3.741 3.605 0.136 1
1 550 . 7 1 1 A 45 45 LEU C C 45 178.847 178.861 -0.014 1
1 551 . 7 1 1 A 45 45 LEU CA C 45 57.643 57.607 0.036 1
1 552 . 7 1 1 A 45 45 LEU CB C 45 41.274 40.753 0.521 1
1 556 . 7 1 1 A 45 45 LEU N N 45 119.345 119.657 -0.312 1
1 557 . 7 1 1 A 46 46 VAL H H 46 8.562 8.119 0.443 1
1 558 . 7 1 1 A 46 46 VAL HA H 46 3.759 3.512 0.247 1
1 566 . 7 1 1 A 46 46 VAL C C 46 177.077 177.046 0.031 1
1 567 . 7 1 1 A 46 46 VAL CA C 46 67.081 67.003 0.078 1
1 568 . 7 1 1 A 46 46 VAL CB C 46 31.639 31.334 0.305 1
1 571 . 7 1 1 A 46 46 VAL N N 46 118.458 118.825 -0.367 1
1 572 . 7 1 1 A 47 47 GLU H H 47 6.896 7.783 -0.887 1
1 573 . 7 1 1 A 47 47 GLU HA H 47 4.019 3.971 0.048 1
1 578 . 7 1 1 A 47 47 GLU C C 47 179.738 179.064 0.674 1
1 579 . 7 1 1 A 47 47 GLU CA C 47 58.582 59.298 -0.716 1
1 580 . 7 1 1 A 47 47 GLU CB C 47 29.029 29.326 -0.297 1
1 582 . 7 1 1 A 47 47 GLU N N 47 117.916 119.502 -1.586 1
1 583 . 7 1 1 A 48 48 ALA H H 48 8.310 8.044 0.266 1
1 584 . 7 1 1 A 48 48 ALA HA H 48 3.761 3.990 -0.229 1
1 588 . 7 1 1 A 48 48 ALA C C 48 179.636 179.076 0.560 1
1 589 . 7 1 1 A 48 48 ALA CA C 48 55.769 54.821 0.948 1
1 590 . 7 1 1 A 48 48 ALA CB C 48 17.370 18.094 -0.724 1
1 591 . 7 1 1 A 48 48 ALA N N 48 123.600 122.080 1.520 1
1 592 . 7 1 1 A 49 49 LEU H H 49 8.724 7.991 0.733 1
1 593 . 7 1 1 A 49 49 LEU HA H 49 3.924 4.015 -0.091 1
1 603 . 7 1 1 A 49 49 LEU C C 49 178.188 179.069 -0.881 1
1 604 . 7 1 1 A 49 49 LEU CA C 49 57.387 56.997 0.390 1
1 605 . 7 1 1 A 49 49 LEU CB C 49 41.780 41.419 0.361 1
1 609 . 7 1 1 A 49 49 LEU N N 49 119.812 120.022 -0.210 1
1 610 . 7 1 1 A 50 50 LYS H H 50 7.421 8.053 -0.632 1
1 611 . 7 1 1 A 50 50 LYS HA H 50 3.856 4.048 -0.192 1
1 620 . 7 1 1 A 50 50 LYS C C 50 177.592 179.142 -1.550 1
1 621 . 7 1 1 A 50 50 LYS CA C 50 59.345 59.442 -0.097 1
1 622 . 7 1 1 A 50 50 LYS CB C 50 32.757 31.864 0.893 1
1 626 . 7 1 1 A 50 50 LYS N N 50 115.568 118.656 -3.088 1
1 627 . 7 1 1 A 51 51 ARG H H 51 7.787 7.498 0.289 1
1 628 . 7 1 1 A 51 51 ARG HA H 51 4.356 4.159 0.197 1
1 635 . 7 1 1 A 51 51 ARG C C 51 176.424 176.029 0.395 1
1 636 . 7 1 1 A 51 51 ARG CA C 51 55.690 58.087 -2.397 1
1 637 . 7 1 1 A 51 51 ARG CB C 51 30.227 30.532 -0.305 1
1 640 . 7 1 1 A 51 51 ARG N N 51 115.686 117.472 -1.786 1
1 641 . 7 1 1 A 52 52 HIS H H 52 8.159 7.873 0.286 1
1 642 . 7 1 1 A 52 52 HIS HA H 52 4.512 4.806 -0.294 1
1 646 . 7 1 1 A 52 52 HIS C C 52 175.409 175.238 0.171 1
1 647 . 7 1 1 A 52 52 HIS CA C 52 56.087 54.186 1.901 1
1 648 . 7 1 1 A 52 52 HIS CB C 52 32.904 30.796 2.108 1
1 650 . 7 1 1 A 52 52 HIS N N 52 125.025 117.573 7.452 1
1 651 . 7 1 1 A 53 53 PRO HA H 53 4.341 4.396 -0.055 1
1 658 . 7 1 1 A 53 53 PRO CA C 53 65.210 64.768 0.442 1
1 659 . 7 1 1 A 53 53 PRO CB C 53 31.791 31.748 0.043 1
1 662 . 7 1 1 A 54 54 ASP H H 54 8.058 8.555 -0.497 1
1 663 . 7 1 1 A 54 54 ASP HA H 54 5.184 4.523 0.661 1
1 666 . 7 1 1 A 54 54 ASP C C 54 176.079 177.720 -1.641 1
1 667 . 7 1 1 A 54 54 ASP CA C 54 52.778 56.084 -3.306 1
1 668 . 7 1 1 A 54 54 ASP CB C 54 41.573 40.511 1.062 1
1 669 . 7 1 1 A 55 55 ALA H H 55 7.731 7.867 -0.136 1
1 670 . 7 1 1 A 55 55 ALA HA H 55 3.589 4.022 -0.433 1
1 674 . 7 1 1 A 55 55 ALA C C 55 178.550 179.993 -1.443 1
1 675 . 7 1 1 A 55 55 ALA CA C 55 57.024 55.254 1.770 1
1 676 . 7 1 1 A 55 55 ALA CB C 55 20.320 18.635 1.685 1
1 677 . 7 1 1 A 55 55 ALA N N 55 122.261 122.237 0.024 1
1 678 . 7 1 1 A 56 56 THR H H 56 8.405 8.200 0.205 1
1 679 . 7 1 1 A 56 56 THR HA H 56 3.804 3.925 -0.121 1
1 684 . 7 1 1 A 56 56 THR C C 56 177.743 176.989 0.754 1
1 685 . 7 1 1 A 56 56 THR CA C 56 67.024 65.388 1.636 1
1 686 . 7 1 1 A 56 56 THR CB C 56 68.257 68.915 -0.658 1
1 688 . 7 1 1 A 56 56 THR N N 56 110.600 113.577 -2.977 1
1 689 . 7 1 1 A 57 57 SER H H 57 7.907 7.842 0.065 1
1 690 . 7 1 1 A 57 57 SER HA H 57 4.251 4.265 -0.014 1
1 693 . 7 1 1 A 57 57 SER C C 57 176.547 177.062 -0.515 1
1 694 . 7 1 1 A 57 57 SER CA C 57 60.395 61.136 -0.741 1
1 695 . 7 1 1 A 57 57 SER CB C 57 62.766 62.946 -0.180 1
1 696 . 7 1 1 A 57 57 SER N N 57 117.623 116.598 1.025 1
1 697 . 7 1 1 A 58 58 LYS H H 58 8.180 7.705 0.475 1
1 698 . 7 1 1 A 58 58 LYS HA H 58 3.687 4.144 -0.457 1
1 707 . 7 1 1 A 58 58 LYS C C 58 178.074 178.308 -0.234 1
1 708 . 7 1 1 A 58 58 LYS CA C 58 58.090 57.940 0.150 1
1 709 . 7 1 1 A 58 58 LYS CB C 58 32.328 32.584 -0.256 1
1 713 . 7 1 1 A 58 58 LYS N N 58 120.772 121.029 -0.257 1
1 714 . 7 1 1 A 59 59 ILE H H 59 8.407 7.980 0.427 1
1 715 . 7 1 1 A 59 59 ILE HA H 59 3.336 4.000 -0.664 1
1 725 . 7 1 1 A 59 59 ILE C C 59 176.705 177.040 -0.335 1
1 726 . 7 1 1 A 59 59 ILE CA C 59 64.224 63.354 0.870 1
1 727 . 7 1 1 A 59 59 ILE CB C 59 38.989 38.361 0.628 1
1 731 . 7 1 1 A 59 59 ILE N N 59 119.024 117.778 1.246 1
1 732 . 7 1 1 A 60 60 GLY H H 60 7.360 7.815 -0.455 1
1 733 . 7 1 1 A 60 60 GLY HA2 H 60 3.884 3.898 -0.014 1
1 734 . 7 1 1 A 60 60 GLY HA3 H 60 3.614 3.899 -0.285 1
1 735 . 7 1 1 A 60 60 GLY C C 60 173.964 174.785 -0.821 1
1 736 . 7 1 1 A 60 60 GLY CA C 60 44.586 46.674 -2.088 1
1 737 . 7 1 1 A 60 60 GLY N N 60 106.081 109.791 -3.710 1
1 738 . 7 1 1 A 61 61 PRO HA H 61 4.486 4.430 0.056 1
1 745 . 7 1 1 A 61 61 PRO C C 61 175.603 176.481 -0.878 1
1 746 . 7 1 1 A 61 61 PRO CA C 61 63.473 63.972 -0.499 1
1 747 . 7 1 1 A 61 61 PRO CB C 61 31.981 32.029 -0.048 1
1 750 . 7 1 1 A 62 62 GLY H H 62 7.835 7.109 0.726 1
1 751 . 7 1 1 A 62 62 GLY HA2 H 62 4.378 3.994 0.384 1
1 752 . 7 1 1 A 62 62 GLY HA3 H 62 3.416 3.996 -0.580 1
1 753 . 7 1 1 A 62 62 GLY C C 62 172.596 171.981 0.615 1
1 754 . 7 1 1 A 62 62 GLY CA C 62 44.498 44.595 -0.097 1
1 755 . 7 1 1 A 62 62 GLY N N 62 110.214 106.741 3.473 1
1 756 . 7 1 1 A 63 63 VAL H H 63 8.646 8.360 0.286 1
1 757 . 7 1 1 A 63 63 VAL HA H 63 3.668 4.351 -0.683 1
1 765 . 7 1 1 A 63 63 VAL C C 63 175.808 175.812 -0.004 1
1 766 . 7 1 1 A 63 63 VAL CA C 63 63.681 61.658 2.023 1
1 767 . 7 1 1 A 63 63 VAL CB C 63 32.863 32.795 0.068 1
1 770 . 7 1 1 A 63 63 VAL N N 63 122.735 120.106 2.629 1
1 771 . 7 1 1 A 64 64 ARG H H 64 9.524 9.123 0.401 1
1 772 . 7 1 1 A 64 64 ARG HA H 64 4.254 4.267 -0.013 1
1 779 . 7 1 1 A 64 64 ARG C C 64 175.574 175.925 -0.351 1
1 780 . 7 1 1 A 64 64 ARG CA C 64 57.310 57.408 -0.098 1
1 781 . 7 1 1 A 64 64 ARG CB C 64 31.928 31.439 0.489 1
1 784 . 7 1 1 A 64 64 ARG N N 64 129.782 129.212 0.570 1
1 785 . 7 1 1 A 65 65 ASN H H 65 8.089 7.413 0.676 1
1 786 . 7 1 1 A 65 65 ASN HA H 65 4.662 4.918 -0.256 1
1 791 . 7 1 1 A 65 65 ASN C C 65 171.753 172.122 -0.369 1
1 792 . 7 1 1 A 65 65 ASN CA C 65 53.279 52.137 1.142 1
1 793 . 7 1 1 A 65 65 ASN CB C 65 43.717 40.158 3.559 1
1 794 . 7 1 1 A 65 65 ASN N N 65 114.163 112.673 1.490 1
1 796 . 7 1 1 A 66 66 PHE H H 66 9.064 8.705 0.359 1
1 797 . 7 1 1 A 66 66 PHE HA H 66 5.738 5.643 0.095 1
1 805 . 7 1 1 A 66 66 PHE C C 66 174.834 174.229 0.605 1
1 806 . 7 1 1 A 66 66 PHE CA C 66 56.578 56.609 -0.031 1
1 807 . 7 1 1 A 66 66 PHE CB C 66 41.888 42.179 -0.291 1
1 813 . 7 1 1 A 66 66 PHE N N 66 114.774 116.604 -1.830 1
1 814 . 7 1 1 A 67 67 GLU H H 67 9.328 9.436 -0.108 1
1 815 . 7 1 1 A 67 67 GLU HA H 67 5.307 5.157 0.150 1
1 820 . 7 1 1 A 67 67 GLU C C 67 174.999 175.382 -0.383 1
1 821 . 7 1 1 A 67 67 GLU CA C 67 54.003 54.539 -0.536 1
1 822 . 7 1 1 A 67 67 GLU CB C 67 35.678 33.536 2.142 1
1 824 . 7 1 1 A 67 67 GLU N N 67 122.005 123.809 -1.804 1
1 825 . 7 1 1 A 68 68 VAL H H 68 8.598 8.579 0.019 1
1 826 . 7 1 1 A 68 68 VAL HA H 68 4.859 4.677 0.182 1
1 834 . 7 1 1 A 68 68 VAL C C 68 175.361 175.182 0.179 1
1 835 . 7 1 1 A 68 68 VAL CA C 68 62.102 61.426 0.676 1
1 836 . 7 1 1 A 68 68 VAL CB C 68 32.865 32.487 0.378 1
1 839 . 7 1 1 A 68 68 VAL N N 68 124.692 127.340 -2.648 1
1 840 . 7 1 1 A 69 69 ARG H H 69 8.896 8.713 0.183 1
1 841 . 7 1 1 A 69 69 ARG HA H 69 4.888 4.681 0.207 1
1 848 . 7 1 1 A 69 69 ARG C C 69 175.469 174.948 0.521 1
1 849 . 7 1 1 A 69 69 ARG CA C 69 54.384 54.184 0.200 1
1 850 . 7 1 1 A 69 69 ARG CB C 69 34.979 32.705 2.274 1
1 853 . 7 1 1 A 69 69 ARG N N 69 123.599 126.778 -3.179 1
1 854 . 7 1 1 A 70 70 SER H H 70 8.758 8.694 0.064 1
1 855 . 7 1 1 A 70 70 SER HA H 70 4.511 4.862 -0.351 1
1 858 . 7 1 1 A 70 70 SER C C 70 173.488 173.746 -0.258 1
1 859 . 7 1 1 A 70 70 SER CA C 70 59.858 57.490 2.368 1
1 860 . 7 1 1 A 70 70 SER CB C 70 63.927 64.948 -1.021 1
1 861 . 7 1 1 A 70 70 SER N N 70 116.239 115.251 0.988 1
1 862 . 7 1 1 A 71 71 ALA H H 71 8.456 8.637 -0.181 1
1 863 . 7 1 1 A 71 71 ALA HA H 71 4.688 4.450 0.238 1
1 867 . 7 1 1 A 71 71 ALA C C 71 176.054 176.532 -0.478 1
1 868 . 7 1 1 A 71 71 ALA CA C 71 51.016 53.165 -2.149 1
1 869 . 7 1 1 A 71 71 ALA CB C 71 20.324 19.955 0.369 1
1 870 . 7 1 1 A 71 71 ALA N N 71 128.999 122.916 6.083 1
1 871 . 7 1 1 A 72 72 ASP H H 72 7.968 8.314 -0.346 1
1 872 . 7 1 1 A 72 72 ASP HA H 72 4.361 4.711 -0.350 1
1 875 . 7 1 1 A 72 72 ASP C C 72 176.444 176.834 -0.390 1
1 876 . 7 1 1 A 72 72 ASP CA C 72 54.732 53.107 1.625 1
1 877 . 7 1 1 A 72 72 ASP CB C 72 41.060 42.032 -0.972 1
1 878 . 7 1 1 A 72 72 ASP N N 72 118.176 118.526 -0.350 1
1 879 . 7 1 1 A 73 73 TYR H H 73 8.768 8.607 0.161 1
1 880 . 7 1 1 A 73 73 TYR HA H 73 4.309 4.257 0.052 1
1 887 . 7 1 1 A 73 73 TYR C C 73 176.601 177.475 -0.874 1
1 888 . 7 1 1 A 73 73 TYR CA C 73 58.799 60.264 -1.465 1
1 889 . 7 1 1 A 73 73 TYR CB C 73 36.239 37.770 -1.531 1
1 894 . 7 1 1 A 73 73 TYR N N 73 117.846 119.970 -2.124 1
1 895 . 7 1 1 A 74 74 GLY H H 74 8.533 7.788 0.745 1
1 896 . 7 1 1 A 74 74 GLY HA2 H 74 4.069 4.128 -0.059 1
1 897 . 7 1 1 A 74 74 GLY HA3 H 74 3.844 4.137 -0.293 1
1 898 . 7 1 1 A 74 74 GLY C C 74 175.060 173.965 1.095 1
1 899 . 7 1 1 A 74 74 GLY CA C 74 46.117 45.761 0.356 1
1 900 . 7 1 1 A 74 74 GLY N N 74 108.255 106.389 1.866 1
1 901 . 7 1 1 A 75 75 THR H H 75 7.534 7.566 -0.032 1
1 902 . 7 1 1 A 75 75 THR HA H 75 4.687 5.067 -0.380 1
1 907 . 7 1 1 A 75 75 THR C C 75 173.779 173.684 0.095 1
1 908 . 7 1 1 A 75 75 THR CA C 75 61.115 59.854 1.261 1
1 909 . 7 1 1 A 75 75 THR CB C 75 71.585 71.331 0.254 1
1 911 . 7 1 1 A 75 75 THR N N 75 111.431 111.219 0.212 1
1 912 . 7 1 1 A 76 76 GLN H H 76 8.590 8.352 0.238 1
1 913 . 7 1 1 A 76 76 GLN HA H 76 5.238 5.184 0.054 1
1 920 . 7 1 1 A 76 76 GLN C C 76 173.605 174.488 -0.883 1
1 921 . 7 1 1 A 76 76 GLN CA C 76 54.556 54.151 0.405 1
1 922 . 7 1 1 A 76 76 GLN CB C 76 31.657 32.490 -0.833 1
1 924 . 7 1 1 A 76 76 GLN N N 76 117.495 118.838 -1.343 1
1 926 . 7 1 1 A 77 77 CYS H H 77 9.058 8.819 0.239 1
1 927 . 7 1 1 A 77 77 CYS HA H 77 4.780 4.936 -0.156 1
1 930 . 7 1 1 A 77 77 CYS C C 77 172.371 173.492 -1.121 1
1 931 . 7 1 1 A 77 77 CYS CA C 77 56.886 57.991 -1.105 1
1 932 . 7 1 1 A 77 77 CYS CB C 77 31.492 31.855 -0.363 1
1 933 . 7 1 1 A 77 77 CYS N N 77 114.572 118.683 -4.111 1
1 934 . 7 1 1 A 78 78 PHE H H 78 8.872 8.830 0.042 1
1 935 . 7 1 1 A 78 78 PHE HA H 78 5.419 5.097 0.322 1
1 943 . 7 1 1 A 78 78 PHE CA C 78 58.466 56.736 1.730 1
1 944 . 7 1 1 A 78 78 PHE CB C 78 42.360 39.604 2.756 1
1 950 . 7 1 1 A 78 78 PHE N N 78 120.396 120.967 -0.571 1
1 951 . 7 1 1 A 79 79 TRP H H 79 10.003 9.375 0.628 1
1 952 . 7 1 1 A 79 79 TRP HA H 79 4.907 5.643 -0.736 1
1 961 . 7 1 1 A 79 79 TRP CA C 79 57.535 56.218 1.317 1
1 962 . 7 1 1 A 79 79 TRP CB C 79 30.788 31.229 -0.441 1
1 968 . 7 1 1 A 79 79 TRP N N 79 120.993 123.818 -2.825 1
1 970 . 7 1 1 A 80 80 ILE H H 80 9.669 9.465 0.204 1
1 971 . 7 1 1 A 80 80 ILE HA H 80 3.773 4.245 -0.472 1
1 981 . 7 1 1 A 80 80 ILE C C 80 174.675 175.377 -0.702 1
1 982 . 7 1 1 A 80 80 ILE CA C 80 61.505 60.798 0.707 1
1 983 . 7 1 1 A 80 80 ILE CB C 80 40.765 37.234 3.531 1
1 987 . 7 1 1 A 80 80 ILE N N 80 122.205 125.140 -2.935 1
1 988 . 7 1 1 A 81 81 LEU H H 81 8.489 8.743 -0.254 1
1 989 . 7 1 1 A 81 81 LEU HA H 81 5.037 4.695 0.342 1
1 999 . 7 1 1 A 81 81 LEU C C 81 177.301 176.207 1.094 1
1 1000 . 7 1 1 A 81 81 LEU CA C 81 53.483 54.338 -0.855 1
1 1001 . 7 1 1 A 81 81 LEU CB C 81 40.344 41.060 -0.716 1
1 1005 . 7 1 1 A 81 81 LEU N N 81 127.849 129.373 -1.524 1
1 1006 . 7 1 1 A 82 82 ARG H H 82 8.980 8.743 0.237 1
1 1007 . 7 1 1 A 82 82 ARG HA H 82 5.127 4.484 0.643 1
1 1014 . 7 1 1 A 82 82 ARG C C 82 179.527 177.696 1.831 1
1 1015 . 7 1 1 A 82 82 ARG CA C 82 57.410 55.878 1.532 1
1 1016 . 7 1 1 A 82 82 ARG CB C 82 31.995 30.925 1.070 1
1 1019 . 7 1 1 A 82 82 ARG N N 82 121.829 125.424 -3.595 1
1 1020 . 7 1 1 A 83 83 THR H H 83 8.427 9.043 -0.616 1
1 1021 . 7 1 1 A 83 83 THR HA H 83 3.823 3.940 -0.117 1
1 1026 . 7 1 1 A 83 83 THR C C 83 174.540 176.262 -1.722 1
1 1027 . 7 1 1 A 83 83 THR CA C 83 64.441 65.164 -0.723 1
1 1028 . 7 1 1 A 83 83 THR CB C 83 67.987 68.318 -0.331 1
1 1030 . 7 1 1 A 83 83 THR N N 83 111.631 117.484 -5.853 1
1 1031 . 7 1 1 A 84 84 ASP H H 84 7.431 7.945 -0.514 1
1 1032 . 7 1 1 A 84 84 ASP HA H 84 4.706 4.456 0.250 1
1 1035 . 7 1 1 A 84 84 ASP C C 84 177.092 176.181 0.911 1
1 1036 . 7 1 1 A 84 84 ASP CA C 84 52.983 55.591 -2.608 1
1 1037 . 7 1 1 A 84 84 ASP CB C 84 40.502 41.080 -0.578 1
1 1038 . 7 1 1 A 84 84 ASP N N 84 117.630 121.351 -3.721 1
1 1039 . 7 1 1 A 85 85 GLY H H 85 7.924 8.047 -0.123 1
1 1040 . 7 1 1 A 85 85 GLY HA2 H 85 3.741 4.030 -0.289 1
1 1041 . 7 1 1 A 85 85 GLY HA3 H 85 4.364 4.032 0.332 1
1 1042 . 7 1 1 A 85 85 GLY C C 85 174.007 174.360 -0.353 1
1 1043 . 7 1 1 A 85 85 GLY CA C 85 45.370 45.318 0.052 1
1 1044 . 7 1 1 A 85 85 GLY N N 85 108.078 108.117 -0.039 1
1 1045 . 7 1 1 A 86 86 SER H H 86 8.009 7.661 0.348 1
1 1046 . 7 1 1 A 86 86 SER HA H 86 4.563 4.669 -0.106 1
1 1049 . 7 1 1 A 86 86 SER C C 86 172.835 174.356 -1.521 1
1 1050 . 7 1 1 A 86 86 SER CA C 86 58.731 57.339 1.392 1
1 1051 . 7 1 1 A 86 86 SER CB C 86 64.803 64.817 -0.014 1
1 1052 . 7 1 1 A 86 86 SER N N 86 117.029 117.530 -0.501 1
1 1053 . 7 1 1 A 87 87 GLU H H 87 8.593 8.694 -0.101 1
1 1054 . 7 1 1 A 87 87 GLU HA H 87 5.921 5.401 0.520 1
1 1059 . 7 1 1 A 87 87 GLU C C 87 175.873 174.955 0.918 1
1 1060 . 7 1 1 A 87 87 GLU CA C 87 54.343 54.517 -0.174 1
1 1061 . 7 1 1 A 87 87 GLU CB C 87 33.925 32.156 1.769 1
1 1063 . 7 1 1 A 87 87 GLU N N 87 116.585 120.638 -4.053 1
1 1064 . 7 1 1 A 88 88 GLU HA H 88 4.496 4.915 -0.419 1
1 1069 . 7 1 1 A 88 88 GLU CA C 88 55.840 55.474 0.366 1
1 1070 . 7 1 1 A 88 88 GLU CB C 88 34.310 33.387 0.923 1
1 1072 . 7 1 1 A 89 89 ARG H H 89 8.013 8.610 -0.597 1
1 1073 . 7 1 1 A 89 89 ARG HA H 89 3.184 4.881 -1.697 1
1 1080 . 7 1 1 A 89 89 ARG CA C 89 56.576 53.953 2.623 1
1 1081 . 7 1 1 A 89 89 ARG CB C 89 30.462 33.348 -2.886 1
1 1084 . 7 1 1 A 89 89 ARG N N 89 127.945 121.314 6.631 1
1 1085 . 7 1 1 A 90 90 PHE HA H 90 5.021 5.319 -0.298 1
1 1093 . 7 1 1 A 90 90 PHE CA C 90 55.089 55.482 -0.393 1
1 1094 . 7 1 1 A 90 90 PHE CB C 90 40.446 41.383 -0.937 1
1 1100 . 7 1 1 A 91 91 SER HA H 91 4.639 4.358 0.281 1
1 1103 . 7 1 1 A 91 91 SER CA C 91 56.242 57.412 -1.170 1
1 1104 . 7 1 1 A 91 91 SER CB C 91 62.621 60.525 2.096 1
1 1105 . 7 1 1 A 92 92 TYR HA H 92 4.268 4.359 -0.091 1
1 1112 . 7 1 1 A 92 92 TYR C C 92 176.450 177.303 -0.853 1
1 1113 . 7 1 1 A 92 92 TYR CA C 92 59.575 60.981 -1.406 1
1 1114 . 7 1 1 A 92 92 TYR CB C 92 37.283 37.884 -0.601 1
1 1119 . 7 1 1 A 93 93 LYS H H 93 7.405 7.712 -0.307 1
1 1120 . 7 1 1 A 93 93 LYS HA H 93 3.749 3.900 -0.151 1
1 1129 . 7 1 1 A 93 93 LYS C C 93 177.715 177.200 0.515 1
1 1130 . 7 1 1 A 93 93 LYS CA C 93 58.446 58.316 0.130 1
1 1131 . 7 1 1 A 93 93 LYS CB C 93 31.822 31.778 0.044 1
1 1135 . 7 1 1 A 93 93 LYS N N 93 120.689 118.587 2.102 1
1 1136 . 7 1 1 A 94 94 LYS H H 94 7.405 7.567 -0.162 1
1 1137 . 7 1 1 A 94 94 LYS HA H 94 4.079 4.528 -0.449 1
1 1146 . 7 1 1 A 94 94 LYS C C 94 176.709 176.391 0.318 1
1 1147 . 7 1 1 A 94 94 LYS CA C 94 56.479 55.306 1.173 1
1 1148 . 7 1 1 A 94 94 LYS CB C 94 32.760 32.088 0.672 1
1 1152 . 7 1 1 A 94 94 LYS N N 94 115.712 117.228 -1.516 1
1 1153 . 7 1 1 A 95 95 CYS H H 95 7.537 8.000 -0.463 1
1 1154 . 7 1 1 A 95 95 CYS HA H 95 3.937 4.723 -0.786 1
1 1157 . 7 1 1 A 95 95 CYS C C 95 173.487 175.308 -1.821 1
1 1158 . 7 1 1 A 95 95 CYS CA C 95 61.795 58.097 3.698 1
1 1159 . 7 1 1 A 95 95 CYS CB C 95 27.546 28.112 -0.566 1
1 1160 . 7 1 1 A 95 95 CYS N N 95 115.586 121.182 -5.596 1
1 1161 . 7 1 1 A 96 96 VAL HA H 96 4.154 4.015 0.139 1
1 1169 . 7 1 1 A 96 96 VAL C C 96 175.216 175.889 -0.673 1
1 1170 . 7 1 1 A 96 96 VAL CA C 96 61.916 63.864 -1.948 1
1 1171 . 7 1 1 A 96 96 VAL CB C 96 31.695 32.233 -0.538 1
1 1174 . 7 1 1 A 97 97 LEU H H 97 8.002 7.488 0.514 1
1 1175 . 7 1 1 A 97 97 LEU HA H 97 4.316 4.552 -0.236 1
1 1185 . 7 1 1 A 97 97 LEU C C 97 176.168 174.935 1.233 1
1 1186 . 7 1 1 A 97 97 LEU CA C 97 54.770 53.828 0.942 1
1 1187 . 7 1 1 A 97 97 LEU CB C 97 42.558 44.888 -2.330 1
1 1191 . 7 1 1 A 97 97 LEU N N 97 124.364 118.167 6.197 1
1 1192 . 7 1 1 A 98 98 GLU H H 98 8.345 8.653 -0.308 1
1 1193 . 7 1 1 A 98 98 GLU HA H 98 4.301 4.239 0.062 1
1 1198 . 7 1 1 A 98 98 GLU C C 98 175.732 176.641 -0.909 1
1 1199 . 7 1 1 A 98 98 GLU CA C 98 55.988 56.943 -0.955 1
1 1200 . 7 1 1 A 98 98 GLU CB C 98 30.989 29.600 1.389 1
1 1 . 8 1 1 A 2 2 ALA HA H 2 4.102 4.646 -0.544 1
1 5 . 8 1 1 A 2 2 ALA CA C 2 51.775 51.224 0.551 1
1 6 . 8 1 1 A 2 2 ALA CB C 2 19.665 22.842 -3.177 1
1 7 . 8 1 1 A 3 3 LYS HA H 3 4.329 4.107 0.222 1
1 15 . 8 1 1 A 3 3 LYS C C 3 176.086 176.478 -0.392 1
1 16 . 8 1 1 A 3 3 LYS CA C 3 56.354 58.174 -1.820 1
1 17 . 8 1 1 A 3 3 LYS CB C 3 33.325 32.253 1.072 1
1 21 . 8 1 1 A 4 4 ALA H H 4 8.515 7.449 1.066 1
1 22 . 8 1 1 A 4 4 ALA HA H 4 4.356 4.406 -0.050 1
1 26 . 8 1 1 A 4 4 ALA C C 4 177.307 176.035 1.272 1
1 27 . 8 1 1 A 4 4 ALA CA C 4 52.316 51.872 0.444 1
1 28 . 8 1 1 A 4 4 ALA CB C 4 19.421 18.886 0.535 1
1 29 . 8 1 1 A 4 4 ALA N N 4 126.866 123.724 3.142 1
1 30 . 8 1 1 A 5 5 GLN H H 5 8.521 8.357 0.164 1
1 31 . 8 1 1 A 5 5 GLN HA H 5 4.652 4.778 -0.126 1
1 38 . 8 1 1 A 5 5 GLN C C 5 173.576 173.373 0.203 1
1 39 . 8 1 1 A 5 5 GLN CA C 5 53.470 52.278 1.192 1
1 40 . 8 1 1 A 5 5 GLN CB C 5 29.457 29.922 -0.465 1
1 42 . 8 1 1 A 5 5 GLN N N 5 122.182 122.589 -0.407 1
1 44 . 8 1 1 A 6 6 PRO HA H 6 4.587 4.494 0.093 1
1 51 . 8 1 1 A 6 6 PRO C C 6 176.481 176.535 -0.054 1
1 52 . 8 1 1 A 6 6 PRO CA C 6 63.028 62.881 0.147 1
1 53 . 8 1 1 A 6 6 PRO CB C 6 32.905 31.791 1.114 1
1 56 . 8 1 1 A 7 7 ILE H H 7 8.581 8.527 0.054 1
1 57 . 8 1 1 A 7 7 ILE HA H 7 4.245 4.225 0.020 1
1 67 . 8 1 1 A 7 7 ILE C C 7 174.129 174.805 -0.676 1
1 68 . 8 1 1 A 7 7 ILE CA C 7 60.613 60.804 -0.191 1
1 69 . 8 1 1 A 7 7 ILE CB C 7 40.266 36.947 3.319 1
1 73 . 8 1 1 A 7 7 ILE N N 7 120.418 123.584 -3.166 1
1 74 . 8 1 1 A 8 8 GLU H H 8 8.572 8.565 0.007 1
1 75 . 8 1 1 A 8 8 GLU HA H 8 5.363 5.094 0.269 1
1 80 . 8 1 1 A 8 8 GLU C C 8 175.806 175.252 0.554 1
1 81 . 8 1 1 A 8 8 GLU CA C 8 54.749 55.780 -1.031 1
1 82 . 8 1 1 A 8 8 GLU CB C 8 31.505 30.567 0.938 1
1 84 . 8 1 1 A 8 8 GLU N N 8 128.440 128.221 0.219 1
1 85 . 8 1 1 A 9 9 ILE H H 9 8.591 8.999 -0.408 1
1 86 . 8 1 1 A 9 9 ILE HA H 9 4.111 4.401 -0.290 1
1 96 . 8 1 1 A 9 9 ILE C C 9 174.977 175.971 -0.994 1
1 97 . 8 1 1 A 9 9 ILE CA C 9 60.967 59.938 1.029 1
1 98 . 8 1 1 A 9 9 ILE CB C 9 41.559 39.751 1.808 1
1 102 . 8 1 1 A 9 9 ILE N N 9 123.957 127.926 -3.969 1
1 103 . 8 1 1 A 10 10 ALA H H 10 9.398 9.087 0.311 1
1 104 . 8 1 1 A 10 10 ALA HA H 10 4.072 4.026 0.046 1
1 108 . 8 1 1 A 10 10 ALA C C 10 177.026 176.938 0.088 1
1 109 . 8 1 1 A 10 10 ALA CA C 10 52.646 53.343 -0.697 1
1 110 . 8 1 1 A 10 10 ALA CB C 10 18.121 17.919 0.202 1
1 111 . 8 1 1 A 10 10 ALA N N 10 130.074 131.848 -1.774 1
1 112 . 8 1 1 A 11 11 GLY H H 11 8.958 8.308 0.650 1
1 113 . 8 1 1 A 11 11 GLY HA2 H 11 4.046 3.815 0.231 1
1 114 . 8 1 1 A 11 11 GLY HA3 H 11 3.570 3.816 -0.246 1
1 115 . 8 1 1 A 11 11 GLY C C 11 174.139 174.253 -0.114 1
1 116 . 8 1 1 A 11 11 GLY CA C 11 45.467 45.150 0.317 1
1 117 . 8 1 1 A 11 11 GLY N N 11 105.460 102.915 2.545 1
1 118 . 8 1 1 A 12 12 HIS H H 12 8.189 7.962 0.227 1
1 119 . 8 1 1 A 12 12 HIS HA H 12 4.325 4.201 0.124 1
1 124 . 8 1 1 A 12 12 HIS C C 12 173.060 174.429 -1.369 1
1 125 . 8 1 1 A 12 12 HIS CA C 12 54.628 56.387 -1.759 1
1 126 . 8 1 1 A 12 12 HIS CB C 12 30.432 29.176 1.256 1
1 129 . 8 1 1 A 12 12 HIS N N 12 120.216 118.712 1.504 1
1 130 . 8 1 1 A 13 13 GLU H H 13 8.338 8.672 -0.334 1
1 131 . 8 1 1 A 13 13 GLU HA H 13 4.659 4.538 0.121 1
1 136 . 8 1 1 A 13 13 GLU C C 13 175.231 174.816 0.415 1
1 137 . 8 1 1 A 13 13 GLU CA C 13 55.147 55.745 -0.598 1
1 138 . 8 1 1 A 13 13 GLU CB C 13 31.218 29.989 1.229 1
1 140 . 8 1 1 A 13 13 GLU N N 13 122.925 123.892 -0.967 1
1 141 . 8 1 1 A 14 14 PHE H H 14 9.117 9.202 -0.085 1
1 142 . 8 1 1 A 14 14 PHE HA H 14 4.941 4.857 0.084 1
1 150 . 8 1 1 A 14 14 PHE C C 14 175.179 177.118 -1.939 1
1 151 . 8 1 1 A 14 14 PHE CA C 14 56.302 57.932 -1.630 1
1 152 . 8 1 1 A 14 14 PHE CB C 14 41.499 40.545 0.954 1
1 158 . 8 1 1 A 14 14 PHE N N 14 123.141 124.557 -1.416 1
1 159 . 8 1 1 A 15 15 ALA H H 15 9.393 8.654 0.739 1
1 160 . 8 1 1 A 15 15 ALA HA H 15 4.130 4.201 -0.071 1
1 164 . 8 1 1 A 15 15 ALA C C 15 177.675 177.439 0.236 1
1 165 . 8 1 1 A 15 15 ALA CA C 15 54.880 54.413 0.467 1
1 166 . 8 1 1 A 15 15 ALA CB C 15 18.986 19.180 -0.194 1
1 167 . 8 1 1 A 15 15 ALA N N 15 126.102 125.047 1.055 1
1 168 . 8 1 1 A 16 16 ARG H H 16 7.756 7.761 -0.005 1
1 169 . 8 1 1 A 16 16 ARG HA H 16 4.809 4.587 0.222 1
1 176 . 8 1 1 A 16 16 ARG C C 16 177.344 176.375 0.969 1
1 177 . 8 1 1 A 16 16 ARG CA C 16 53.409 54.835 -1.426 1
1 178 . 8 1 1 A 16 16 ARG CB C 16 33.323 31.562 1.761 1
1 181 . 8 1 1 A 16 16 ARG N N 16 110.189 114.042 -3.853 1
1 182 . 8 1 1 A 17 17 LYS H H 17 9.303 8.718 0.585 1
1 183 . 8 1 1 A 17 17 LYS HA H 17 3.742 3.926 -0.184 1
1 192 . 8 1 1 A 17 17 LYS C C 17 178.667 177.718 0.949 1
1 193 . 8 1 1 A 17 17 LYS CA C 17 60.663 59.584 1.079 1
1 194 . 8 1 1 A 17 17 LYS CB C 17 32.005 32.051 -0.046 1
1 198 . 8 1 1 A 17 17 LYS N N 17 125.242 120.494 4.748 1
1 199 . 8 1 1 A 18 18 ALA H H 18 8.777 8.244 0.533 1
1 200 . 8 1 1 A 18 18 ALA HA H 18 4.046 4.081 -0.035 1
1 204 . 8 1 1 A 18 18 ALA C C 18 180.134 179.211 0.923 1
1 205 . 8 1 1 A 18 18 ALA CA C 18 55.181 54.972 0.209 1
1 206 . 8 1 1 A 18 18 ALA CB C 18 18.633 18.139 0.494 1
1 207 . 8 1 1 A 18 18 ALA N N 18 118.670 120.949 -2.279 1
1 208 . 8 1 1 A 19 19 ASP H H 19 7.454 8.359 -0.905 1
1 209 . 8 1 1 A 19 19 ASP HA H 19 4.586 4.510 0.076 1
1 212 . 8 1 1 A 19 19 ASP C C 19 178.469 178.174 0.295 1
1 213 . 8 1 1 A 19 19 ASP CA C 19 57.082 56.646 0.436 1
1 214 . 8 1 1 A 19 19 ASP CB C 19 41.304 41.240 0.064 1
1 215 . 8 1 1 A 19 19 ASP N N 19 117.020 118.674 -1.654 1
1 216 . 8 1 1 A 20 20 ALA H H 20 7.123 7.641 -0.518 1
1 217 . 8 1 1 A 20 20 ALA HA H 20 2.604 2.578 0.026 1
1 221 . 8 1 1 A 20 20 ALA C C 20 178.706 179.880 -1.174 1
1 222 . 8 1 1 A 20 20 ALA CA C 20 54.453 54.148 0.305 1
1 223 . 8 1 1 A 20 20 ALA CB C 20 18.199 18.072 0.127 1
1 224 . 8 1 1 A 20 20 ALA N N 20 124.691 121.694 2.997 1
1 225 . 8 1 1 A 21 21 LEU H H 21 7.871 8.390 -0.519 1
1 226 . 8 1 1 A 21 21 LEU HA H 21 4.008 4.088 -0.080 1
1 236 . 8 1 1 A 21 21 LEU C C 21 179.041 179.500 -0.459 1
1 237 . 8 1 1 A 21 21 LEU CA C 21 58.398 57.873 0.525 1
1 238 . 8 1 1 A 21 21 LEU CB C 21 41.382 40.859 0.523 1
1 242 . 8 1 1 A 21 21 LEU N N 21 116.889 119.580 -2.691 1
1 243 . 8 1 1 A 22 22 ALA H H 22 7.972 8.043 -0.071 1
1 244 . 8 1 1 A 22 22 ALA HA H 22 4.158 4.182 -0.024 1
1 248 . 8 1 1 A 22 22 ALA C C 22 179.288 179.644 -0.356 1
1 249 . 8 1 1 A 22 22 ALA CA C 22 55.180 54.729 0.451 1
1 250 . 8 1 1 A 22 22 ALA CB C 22 18.013 18.138 -0.125 1
1 251 . 8 1 1 A 22 22 ALA N N 22 121.219 122.503 -1.284 1
1 252 . 8 1 1 A 23 23 PHE H H 23 7.546 7.745 -0.199 1
1 253 . 8 1 1 A 23 23 PHE HA H 23 4.081 4.112 -0.031 1
1 261 . 8 1 1 A 23 23 PHE C C 23 178.515 177.184 1.331 1
1 262 . 8 1 1 A 23 23 PHE CA C 23 61.520 61.168 0.352 1
1 263 . 8 1 1 A 23 23 PHE CB C 23 40.296 39.395 0.901 1
1 269 . 8 1 1 A 23 23 PHE N N 23 119.034 119.599 -0.565 1
1 270 . 8 1 1 A 24 24 MET H H 24 7.595 8.548 -0.953 1
1 271 . 8 1 1 A 24 24 MET HA H 24 3.768 3.835 -0.067 1
1 279 . 8 1 1 A 24 24 MET C C 24 176.037 178.465 -2.428 1
1 280 . 8 1 1 A 24 24 MET CA C 24 59.901 59.415 0.486 1
1 281 . 8 1 1 A 24 24 MET CB C 24 34.008 32.942 1.066 1
1 284 . 8 1 1 A 24 24 MET N N 24 118.377 117.466 0.911 1
1 285 . 8 1 1 A 25 25 LYS H H 25 8.131 8.194 -0.063 1
1 286 . 8 1 1 A 25 25 LYS HA H 25 3.747 4.051 -0.304 1
1 295 . 8 1 1 A 25 25 LYS C C 25 178.865 178.853 0.012 1
1 296 . 8 1 1 A 25 25 LYS CA C 25 59.994 59.216 0.778 1
1 297 . 8 1 1 A 25 25 LYS CB C 25 32.365 32.468 -0.103 1
1 301 . 8 1 1 A 25 25 LYS N N 25 121.901 119.943 1.958 1
1 302 . 8 1 1 A 26 26 VAL H H 26 7.986 8.099 -0.113 1
1 303 . 8 1 1 A 26 26 VAL HA H 26 3.515 3.512 0.003 1
1 311 . 8 1 1 A 26 26 VAL C C 26 178.654 177.580 1.074 1
1 312 . 8 1 1 A 26 26 VAL CA C 26 66.337 66.028 0.309 1
1 313 . 8 1 1 A 26 26 VAL CB C 26 31.302 31.011 0.291 1
1 316 . 8 1 1 A 26 26 VAL N N 26 119.393 119.901 -0.508 1
1 317 . 8 1 1 A 27 27 MET H H 27 7.232 7.832 -0.600 1
1 318 . 8 1 1 A 27 27 MET HA H 27 3.586 3.910 -0.324 1
1 326 . 8 1 1 A 27 27 MET C C 27 177.564 178.585 -1.021 1
1 327 . 8 1 1 A 27 27 MET CA C 27 59.113 59.160 -0.047 1
1 328 . 8 1 1 A 27 27 MET CB C 27 34.025 32.670 1.355 1
1 331 . 8 1 1 A 27 27 MET N N 27 119.647 117.787 1.860 1
1 332 . 8 1 1 A 28 28 LEU H H 28 8.201 8.185 0.016 1
1 333 . 8 1 1 A 28 28 LEU HA H 28 3.733 3.865 -0.132 1
1 343 . 8 1 1 A 28 28 LEU C C 28 178.075 178.359 -0.284 1
1 344 . 8 1 1 A 28 28 LEU CA C 28 57.980 58.313 -0.333 1
1 345 . 8 1 1 A 28 28 LEU CB C 28 41.151 41.033 0.118 1
1 349 . 8 1 1 A 28 28 LEU N N 28 118.420 121.315 -2.895 1
1 350 . 8 1 1 A 29 29 ASN H H 29 7.579 8.348 -0.769 1
1 351 . 8 1 1 A 29 29 ASN HA H 29 4.512 4.565 -0.053 1
1 356 . 8 1 1 A 29 29 ASN C C 29 176.087 178.216 -2.129 1
1 357 . 8 1 1 A 29 29 ASN CA C 29 54.286 56.156 -1.870 1
1 358 . 8 1 1 A 29 29 ASN CB C 29 38.984 37.762 1.222 1
1 359 . 8 1 1 A 29 29 ASN N N 29 112.254 116.688 -4.434 1
1 361 . 8 1 1 A 30 30 ARG H H 30 7.621 7.868 -0.247 1
1 362 . 8 1 1 A 30 30 ARG HA H 30 4.169 3.883 0.286 1
1 369 . 8 1 1 A 30 30 ARG C C 30 175.926 175.868 0.058 1
1 370 . 8 1 1 A 30 30 ARG CA C 30 57.482 58.298 -0.816 1
1 371 . 8 1 1 A 30 30 ARG CB C 30 30.404 30.259 0.145 1
1 374 . 8 1 1 A 30 30 ARG N N 30 118.878 118.752 0.126 1
1 375 . 8 1 1 A 31 31 TYR H H 31 7.287 7.759 -0.472 1
1 376 . 8 1 1 A 31 31 TYR HA H 31 4.690 4.906 -0.216 1
1 383 . 8 1 1 A 31 31 TYR C C 31 174.348 175.792 -1.444 1
1 384 . 8 1 1 A 31 31 TYR CA C 31 58.118 57.666 0.452 1
1 385 . 8 1 1 A 31 31 TYR CB C 31 43.045 40.788 2.257 1
1 390 . 8 1 1 A 31 31 TYR N N 31 118.414 117.070 1.344 1
1 391 . 8 1 1 A 32 32 ARG H H 32 9.314 8.711 0.603 1
1 392 . 8 1 1 A 32 32 ARG HA H 32 4.913 4.630 0.283 1
1 399 . 8 1 1 A 32 32 ARG C C 32 173.525 176.143 -2.618 1
1 400 . 8 1 1 A 32 32 ARG CA C 32 52.775 54.393 -1.618 1
1 401 . 8 1 1 A 32 32 ARG CB C 32 30.292 29.670 0.622 1
1 404 . 8 1 1 A 32 32 ARG N N 32 121.876 122.301 -0.425 1
1 405 . 8 1 1 A 33 33 PRO HA H 33 3.870 4.411 -0.541 1
1 412 . 8 1 1 A 33 33 PRO C C 33 177.517 176.760 0.757 1
1 413 . 8 1 1 A 33 33 PRO CA C 33 64.332 63.598 0.734 1
1 414 . 8 1 1 A 33 33 PRO CB C 33 31.655 31.129 0.526 1
1 417 . 8 1 1 A 34 34 GLY H H 34 9.584 7.835 1.749 1
1 418 . 8 1 1 A 34 34 GLY HA2 H 34 4.422 4.077 0.345 1
1 419 . 8 1 1 A 34 34 GLY HA3 H 34 3.725 4.098 -0.373 1
1 420 . 8 1 1 A 34 34 GLY C C 34 174.605 173.032 1.573 1
1 421 . 8 1 1 A 34 34 GLY CA C 34 44.745 45.662 -0.917 1
1 422 . 8 1 1 A 34 34 GLY N N 34 115.669 108.332 7.337 1
1 423 . 8 1 1 A 35 35 ASP H H 35 8.252 7.544 0.708 1
1 424 . 8 1 1 A 35 35 ASP HA H 35 4.691 5.161 -0.470 1
1 427 . 8 1 1 A 35 35 ASP C C 35 175.279 175.147 0.132 1
1 428 . 8 1 1 A 35 35 ASP CA C 35 55.195 52.612 2.583 1
1 429 . 8 1 1 A 35 35 ASP CB C 35 42.301 45.312 -3.011 1
1 430 . 8 1 1 A 35 35 ASP N N 35 122.076 119.541 2.535 1
1 431 . 8 1 1 A 36 36 ILE H H 36 8.194 8.514 -0.320 1
1 432 . 8 1 1 A 36 36 ILE HA H 36 4.546 4.347 0.199 1
1 442 . 8 1 1 A 36 36 ILE C C 36 176.709 176.591 0.118 1
1 443 . 8 1 1 A 36 36 ILE CA C 36 59.572 60.315 -0.743 1
1 444 . 8 1 1 A 36 36 ILE CB C 36 37.870 37.970 -0.100 1
1 448 . 8 1 1 A 36 36 ILE N N 36 120.260 120.062 0.198 1
1 449 . 8 1 1 A 37 37 VAL H H 37 7.963 8.907 -0.944 1
1 450 . 8 1 1 A 37 37 VAL HA H 37 3.671 3.557 0.114 1
1 458 . 8 1 1 A 37 37 VAL C C 37 176.530 176.577 -0.047 1
1 459 . 8 1 1 A 37 37 VAL CA C 37 62.969 62.227 0.742 1
1 460 . 8 1 1 A 37 37 VAL CB C 37 32.201 32.386 -0.185 1
1 463 . 8 1 1 A 37 37 VAL N N 37 126.533 127.079 -0.546 1
1 464 . 8 1 1 A 38 38 SER H H 38 8.852 8.583 0.269 1
1 465 . 8 1 1 A 38 38 SER HA H 38 4.600 4.800 -0.200 1
1 468 . 8 1 1 A 38 38 SER C C 38 174.950 175.861 -0.911 1
1 469 . 8 1 1 A 38 38 SER CA C 38 58.147 57.762 0.385 1
1 470 . 8 1 1 A 38 38 SER CB C 38 65.224 65.263 -0.039 1
1 471 . 8 1 1 A 38 38 SER N N 38 122.752 120.480 2.272 1
1 472 . 8 1 1 A 39 39 THR H H 39 8.870 8.811 0.059 1
1 473 . 8 1 1 A 39 39 THR HA H 39 4.153 4.023 0.130 1
1 478 . 8 1 1 A 39 39 THR C C 39 177.855 176.160 1.695 1
1 479 . 8 1 1 A 39 39 THR CA C 39 66.299 66.659 -0.360 1
1 480 . 8 1 1 A 39 39 THR CB C 39 68.559 68.944 -0.385 1
1 482 . 8 1 1 A 39 39 THR N N 39 116.391 116.187 0.204 1
1 483 . 8 1 1 A 40 40 VAL H H 40 8.018 8.188 -0.170 1
1 484 . 8 1 1 A 40 40 VAL HA H 40 4.028 3.659 0.369 1
1 492 . 8 1 1 A 40 40 VAL C C 40 178.339 177.830 0.509 1
1 493 . 8 1 1 A 40 40 VAL CA C 40 65.776 66.733 -0.957 1
1 494 . 8 1 1 A 40 40 VAL CB C 40 32.139 31.697 0.442 1
1 497 . 8 1 1 A 40 40 VAL N N 40 121.035 121.785 -0.750 1
1 498 . 8 1 1 A 41 41 ASP H H 41 7.610 8.498 -0.888 1
1 499 . 8 1 1 A 41 41 ASP HA H 41 4.570 4.400 0.170 1
1 502 . 8 1 1 A 41 41 ASP C C 41 178.746 179.879 -1.133 1
1 503 . 8 1 1 A 41 41 ASP CA C 41 57.492 57.190 0.302 1
1 504 . 8 1 1 A 41 41 ASP CB C 41 39.740 40.278 -0.538 1
1 505 . 8 1 1 A 41 41 ASP N N 41 124.108 119.892 4.216 1
1 506 . 8 1 1 A 42 42 GLY H H 42 9.363 8.586 0.777 1
1 507 . 8 1 1 A 42 42 GLY HA2 H 42 4.186 3.588 0.598 1
1 508 . 8 1 1 A 42 42 GLY HA3 H 42 3.584 3.905 -0.321 1
1 509 . 8 1 1 A 42 42 GLY C C 42 175.329 176.128 -0.799 1
1 510 . 8 1 1 A 42 42 GLY CA C 42 46.944 47.130 -0.186 1
1 511 . 8 1 1 A 42 42 GLY N N 42 109.572 109.369 0.203 1
1 512 . 8 1 1 A 43 43 ALA H H 43 7.949 8.256 -0.307 1
1 513 . 8 1 1 A 43 43 ALA HA H 43 4.240 4.042 0.198 1
1 517 . 8 1 1 A 43 43 ALA C C 43 180.375 179.550 0.825 1
1 518 . 8 1 1 A 43 43 ALA CA C 43 54.897 54.757 0.140 1
1 519 . 8 1 1 A 43 43 ALA CB C 43 17.895 18.310 -0.415 1
1 520 . 8 1 1 A 43 43 ALA N N 43 123.561 124.575 -1.014 1
1 521 . 8 1 1 A 44 44 PHE H H 44 7.337 8.202 -0.865 1
1 522 . 8 1 1 A 44 44 PHE HA H 44 3.957 4.158 -0.201 1
1 530 . 8 1 1 A 44 44 PHE C C 44 177.252 176.829 0.423 1
1 531 . 8 1 1 A 44 44 PHE CA C 44 61.508 61.362 0.146 1
1 532 . 8 1 1 A 44 44 PHE CB C 44 38.993 39.180 -0.187 1
1 538 . 8 1 1 A 44 44 PHE N N 44 118.542 120.356 -1.814 1
1 539 . 8 1 1 A 45 45 LEU H H 45 8.301 8.194 0.107 1
1 540 . 8 1 1 A 45 45 LEU HA H 45 3.741 3.676 0.065 1
1 550 . 8 1 1 A 45 45 LEU C C 45 178.847 178.786 0.061 1
1 551 . 8 1 1 A 45 45 LEU CA C 45 57.643 57.709 -0.066 1
1 552 . 8 1 1 A 45 45 LEU CB C 45 41.274 40.922 0.352 1
1 556 . 8 1 1 A 45 45 LEU N N 45 119.345 119.600 -0.255 1
1 557 . 8 1 1 A 46 46 VAL H H 46 8.562 7.980 0.582 1
1 558 . 8 1 1 A 46 46 VAL HA H 46 3.759 3.549 0.210 1
1 566 . 8 1 1 A 46 46 VAL C C 46 177.077 177.328 -0.251 1
1 567 . 8 1 1 A 46 46 VAL CA C 46 67.081 66.985 0.096 1
1 568 . 8 1 1 A 46 46 VAL CB C 46 31.639 31.383 0.256 1
1 571 . 8 1 1 A 46 46 VAL N N 46 118.458 118.685 -0.227 1
1 572 . 8 1 1 A 47 47 GLU H H 47 6.896 7.943 -1.047 1
1 573 . 8 1 1 A 47 47 GLU HA H 47 4.019 3.936 0.083 1
1 578 . 8 1 1 A 47 47 GLU C C 47 179.738 178.654 1.084 1
1 579 . 8 1 1 A 47 47 GLU CA C 47 58.582 59.171 -0.589 1
1 580 . 8 1 1 A 47 47 GLU CB C 47 29.029 29.599 -0.570 1
1 582 . 8 1 1 A 47 47 GLU N N 47 117.916 119.987 -2.071 1
1 583 . 8 1 1 A 48 48 ALA H H 48 8.310 7.940 0.370 1
1 584 . 8 1 1 A 48 48 ALA HA H 48 3.761 3.975 -0.214 1
1 588 . 8 1 1 A 48 48 ALA C C 48 179.636 179.656 -0.020 1
1 589 . 8 1 1 A 48 48 ALA CA C 48 55.769 55.000 0.769 1
1 590 . 8 1 1 A 48 48 ALA CB C 48 17.370 18.392 -1.022 1
1 591 . 8 1 1 A 48 48 ALA N N 48 123.600 122.340 1.260 1
1 592 . 8 1 1 A 49 49 LEU H H 49 8.724 8.132 0.592 1
1 593 . 8 1 1 A 49 49 LEU HA H 49 3.924 4.013 -0.089 1
1 603 . 8 1 1 A 49 49 LEU C C 49 178.188 178.640 -0.452 1
1 604 . 8 1 1 A 49 49 LEU CA C 49 57.387 57.922 -0.535 1
1 605 . 8 1 1 A 49 49 LEU CB C 49 41.780 41.792 -0.012 1
1 609 . 8 1 1 A 49 49 LEU N N 49 119.812 119.912 -0.100 1
1 610 . 8 1 1 A 50 50 LYS H H 50 7.421 8.271 -0.850 1
1 611 . 8 1 1 A 50 50 LYS HA H 50 3.856 4.078 -0.222 1
1 620 . 8 1 1 A 50 50 LYS C C 50 177.592 179.163 -1.571 1
1 621 . 8 1 1 A 50 50 LYS CA C 50 59.345 59.089 0.256 1
1 622 . 8 1 1 A 50 50 LYS CB C 50 32.757 32.004 0.753 1
1 626 . 8 1 1 A 50 50 LYS N N 50 115.568 118.303 -2.735 1
1 627 . 8 1 1 A 51 51 ARG H H 51 7.787 7.692 0.095 1
1 628 . 8 1 1 A 51 51 ARG HA H 51 4.356 4.132 0.224 1
1 635 . 8 1 1 A 51 51 ARG C C 51 176.424 176.334 0.090 1
1 636 . 8 1 1 A 51 51 ARG CA C 51 55.690 58.123 -2.433 1
1 637 . 8 1 1 A 51 51 ARG CB C 51 30.227 30.510 -0.283 1
1 640 . 8 1 1 A 51 51 ARG N N 51 115.686 117.743 -2.057 1
1 641 . 8 1 1 A 52 52 HIS H H 52 8.159 7.929 0.230 1
1 642 . 8 1 1 A 52 52 HIS HA H 52 4.512 4.786 -0.274 1
1 646 . 8 1 1 A 52 52 HIS C C 52 175.409 175.364 0.045 1
1 647 . 8 1 1 A 52 52 HIS CA C 52 56.087 54.212 1.875 1
1 648 . 8 1 1 A 52 52 HIS CB C 52 32.904 30.649 2.255 1
1 650 . 8 1 1 A 52 52 HIS N N 52 125.025 117.689 7.336 1
1 651 . 8 1 1 A 53 53 PRO HA H 53 4.341 4.289 0.052 1
1 658 . 8 1 1 A 53 53 PRO CA C 53 65.210 65.119 0.091 1
1 659 . 8 1 1 A 53 53 PRO CB C 53 31.791 31.872 -0.081 1
1 662 . 8 1 1 A 54 54 ASP H H 54 8.058 8.638 -0.580 1
1 663 . 8 1 1 A 54 54 ASP HA H 54 5.184 4.601 0.583 1
1 666 . 8 1 1 A 54 54 ASP C C 54 176.079 177.176 -1.097 1
1 667 . 8 1 1 A 54 54 ASP CA C 54 52.778 54.842 -2.064 1
1 668 . 8 1 1 A 54 54 ASP CB C 54 41.573 41.139 0.434 1
1 669 . 8 1 1 A 55 55 ALA H H 55 7.731 7.793 -0.062 1
1 670 . 8 1 1 A 55 55 ALA HA H 55 3.589 4.001 -0.412 1
1 674 . 8 1 1 A 55 55 ALA C C 55 178.550 179.371 -0.821 1
1 675 . 8 1 1 A 55 55 ALA CA C 55 57.024 55.135 1.889 1
1 676 . 8 1 1 A 55 55 ALA CB C 55 20.320 18.353 1.967 1
1 677 . 8 1 1 A 55 55 ALA N N 55 122.261 121.833 0.428 1
1 678 . 8 1 1 A 56 56 THR H H 56 8.405 8.263 0.142 1
1 679 . 8 1 1 A 56 56 THR HA H 56 3.804 3.889 -0.085 1
1 684 . 8 1 1 A 56 56 THR C C 56 177.743 176.592 1.151 1
1 685 . 8 1 1 A 56 56 THR CA C 56 67.024 65.286 1.738 1
1 686 . 8 1 1 A 56 56 THR CB C 56 68.257 68.821 -0.564 1
1 688 . 8 1 1 A 56 56 THR N N 56 110.600 113.890 -3.290 1
1 689 . 8 1 1 A 57 57 SER H H 57 7.907 7.824 0.083 1
1 690 . 8 1 1 A 57 57 SER HA H 57 4.251 4.067 0.184 1
1 693 . 8 1 1 A 57 57 SER C C 57 176.547 176.109 0.438 1
1 694 . 8 1 1 A 57 57 SER CA C 57 60.395 61.487 -1.092 1
1 695 . 8 1 1 A 57 57 SER CB C 57 62.766 62.956 -0.190 1
1 696 . 8 1 1 A 57 57 SER N N 57 117.623 116.136 1.487 1
1 697 . 8 1 1 A 58 58 LYS H H 58 8.180 8.033 0.147 1
1 698 . 8 1 1 A 58 58 LYS HA H 58 3.687 4.280 -0.593 1
1 707 . 8 1 1 A 58 58 LYS C C 58 178.074 177.116 0.958 1
1 708 . 8 1 1 A 58 58 LYS CA C 58 58.090 56.802 1.288 1
1 709 . 8 1 1 A 58 58 LYS CB C 58 32.328 32.069 0.259 1
1 713 . 8 1 1 A 58 58 LYS N N 58 120.772 119.581 1.191 1
1 714 . 8 1 1 A 59 59 ILE H H 59 8.407 7.477 0.930 1
1 715 . 8 1 1 A 59 59 ILE HA H 59 3.336 4.076 -0.740 1
1 725 . 8 1 1 A 59 59 ILE C C 59 176.705 177.005 -0.300 1
1 726 . 8 1 1 A 59 59 ILE CA C 59 64.224 63.232 0.992 1
1 727 . 8 1 1 A 59 59 ILE CB C 59 38.989 38.358 0.631 1
1 731 . 8 1 1 A 59 59 ILE N N 59 119.024 118.087 0.937 1
1 732 . 8 1 1 A 60 60 GLY H H 60 7.360 8.102 -0.742 1
1 733 . 8 1 1 A 60 60 GLY HA2 H 60 3.884 3.952 -0.068 1
1 734 . 8 1 1 A 60 60 GLY HA3 H 60 3.614 3.954 -0.340 1
1 735 . 8 1 1 A 60 60 GLY C C 60 173.964 174.663 -0.699 1
1 736 . 8 1 1 A 60 60 GLY CA C 60 44.586 45.941 -1.355 1
1 737 . 8 1 1 A 60 60 GLY N N 60 106.081 109.706 -3.625 1
1 738 . 8 1 1 A 61 61 PRO HA H 61 4.486 4.442 0.044 1
1 745 . 8 1 1 A 61 61 PRO C C 61 175.603 176.407 -0.804 1
1 746 . 8 1 1 A 61 61 PRO CA C 61 63.473 63.934 -0.461 1
1 747 . 8 1 1 A 61 61 PRO CB C 61 31.981 32.096 -0.115 1
1 750 . 8 1 1 A 62 62 GLY H H 62 7.835 6.869 0.966 1
1 751 . 8 1 1 A 62 62 GLY HA2 H 62 4.378 4.056 0.322 1
1 752 . 8 1 1 A 62 62 GLY HA3 H 62 3.416 4.057 -0.641 1
1 753 . 8 1 1 A 62 62 GLY C C 62 172.596 171.712 0.884 1
1 754 . 8 1 1 A 62 62 GLY CA C 62 44.498 45.083 -0.585 1
1 755 . 8 1 1 A 62 62 GLY N N 62 110.214 106.705 3.509 1
1 756 . 8 1 1 A 63 63 VAL H H 63 8.646 8.448 0.198 1
1 757 . 8 1 1 A 63 63 VAL HA H 63 3.668 4.367 -0.699 1
1 765 . 8 1 1 A 63 63 VAL C C 63 175.808 175.965 -0.157 1
1 766 . 8 1 1 A 63 63 VAL CA C 63 63.681 61.707 1.974 1
1 767 . 8 1 1 A 63 63 VAL CB C 63 32.863 32.258 0.605 1
1 770 . 8 1 1 A 63 63 VAL N N 63 122.735 120.577 2.158 1
1 771 . 8 1 1 A 64 64 ARG H H 64 9.524 8.625 0.899 1
1 772 . 8 1 1 A 64 64 ARG HA H 64 4.254 4.231 0.023 1
1 779 . 8 1 1 A 64 64 ARG C C 64 175.574 175.899 -0.325 1
1 780 . 8 1 1 A 64 64 ARG CA C 64 57.310 57.703 -0.393 1
1 781 . 8 1 1 A 64 64 ARG CB C 64 31.928 31.213 0.715 1
1 784 . 8 1 1 A 64 64 ARG N N 64 129.782 129.678 0.104 1
1 785 . 8 1 1 A 65 65 ASN H H 65 8.089 7.169 0.920 1
1 786 . 8 1 1 A 65 65 ASN HA H 65 4.662 4.963 -0.301 1
1 791 . 8 1 1 A 65 65 ASN C C 65 171.753 172.008 -0.255 1
1 792 . 8 1 1 A 65 65 ASN CA C 65 53.279 52.127 1.152 1
1 793 . 8 1 1 A 65 65 ASN CB C 65 43.717 40.272 3.445 1
1 794 . 8 1 1 A 65 65 ASN N N 65 114.163 112.183 1.980 1
1 796 . 8 1 1 A 66 66 PHE H H 66 9.064 8.671 0.393 1
1 797 . 8 1 1 A 66 66 PHE HA H 66 5.738 5.764 -0.026 1
1 805 . 8 1 1 A 66 66 PHE C C 66 174.834 174.562 0.272 1
1 806 . 8 1 1 A 66 66 PHE CA C 66 56.578 56.349 0.229 1
1 807 . 8 1 1 A 66 66 PHE CB C 66 41.888 43.487 -1.599 1
1 813 . 8 1 1 A 66 66 PHE N N 66 114.774 116.631 -1.857 1
1 814 . 8 1 1 A 67 67 GLU H H 67 9.328 8.880 0.448 1
1 815 . 8 1 1 A 67 67 GLU HA H 67 5.307 5.011 0.296 1
1 820 . 8 1 1 A 67 67 GLU C C 67 174.999 174.693 0.306 1
1 821 . 8 1 1 A 67 67 GLU CA C 67 54.003 55.092 -1.089 1
1 822 . 8 1 1 A 67 67 GLU CB C 67 35.678 33.626 2.052 1
1 824 . 8 1 1 A 67 67 GLU N N 67 122.005 121.571 0.434 1
1 825 . 8 1 1 A 68 68 VAL H H 68 8.598 9.005 -0.407 1
1 826 . 8 1 1 A 68 68 VAL HA H 68 4.859 4.431 0.428 1
1 834 . 8 1 1 A 68 68 VAL C C 68 175.361 174.974 0.387 1
1 835 . 8 1 1 A 68 68 VAL CA C 68 62.102 62.308 -0.206 1
1 836 . 8 1 1 A 68 68 VAL CB C 68 32.865 30.929 1.936 1
1 839 . 8 1 1 A 68 68 VAL N N 68 124.692 127.485 -2.793 1
1 840 . 8 1 1 A 69 69 ARG H H 69 8.896 8.852 0.044 1
1 841 . 8 1 1 A 69 69 ARG HA H 69 4.888 4.970 -0.082 1
1 848 . 8 1 1 A 69 69 ARG C C 69 175.469 175.385 0.084 1
1 849 . 8 1 1 A 69 69 ARG CA C 69 54.384 53.795 0.589 1
1 850 . 8 1 1 A 69 69 ARG CB C 69 34.979 33.642 1.337 1
1 853 . 8 1 1 A 69 69 ARG N N 69 123.599 129.149 -5.550 1
1 854 . 8 1 1 A 70 70 SER H H 70 8.758 8.278 0.480 1
1 855 . 8 1 1 A 70 70 SER HA H 70 4.511 4.399 0.112 1
1 858 . 8 1 1 A 70 70 SER C C 70 173.488 174.231 -0.743 1
1 859 . 8 1 1 A 70 70 SER CA C 70 59.858 58.515 1.343 1
1 860 . 8 1 1 A 70 70 SER CB C 70 63.927 64.165 -0.238 1
1 861 . 8 1 1 A 70 70 SER N N 70 116.239 118.412 -2.173 1
1 862 . 8 1 1 A 71 71 ALA H H 71 8.456 8.726 -0.270 1
1 863 . 8 1 1 A 71 71 ALA HA H 71 4.688 4.892 -0.204 1
1 867 . 8 1 1 A 71 71 ALA C C 71 176.054 176.265 -0.211 1
1 868 . 8 1 1 A 71 71 ALA CA C 71 51.016 51.022 -0.006 1
1 869 . 8 1 1 A 71 71 ALA CB C 71 20.324 23.603 -3.279 1
1 870 . 8 1 1 A 71 71 ALA N N 71 128.999 123.266 5.733 1
1 871 . 8 1 1 A 72 72 ASP H H 72 7.968 8.781 -0.813 1
1 872 . 8 1 1 A 72 72 ASP HA H 72 4.361 4.550 -0.189 1
1 875 . 8 1 1 A 72 72 ASP C C 72 176.444 176.299 0.145 1
1 876 . 8 1 1 A 72 72 ASP CA C 72 54.732 54.297 0.435 1
1 877 . 8 1 1 A 72 72 ASP CB C 72 41.060 41.721 -0.661 1
1 878 . 8 1 1 A 72 72 ASP N N 72 118.176 118.397 -0.221 1
1 879 . 8 1 1 A 73 73 TYR H H 73 8.768 8.855 -0.087 1
1 880 . 8 1 1 A 73 73 TYR HA H 73 4.309 4.203 0.106 1
1 887 . 8 1 1 A 73 73 TYR C C 73 176.601 176.068 0.533 1
1 888 . 8 1 1 A 73 73 TYR CA C 73 58.799 59.102 -0.303 1
1 889 . 8 1 1 A 73 73 TYR CB C 73 36.239 36.167 0.072 1
1 894 . 8 1 1 A 73 73 TYR N N 73 117.846 116.131 1.715 1
1 895 . 8 1 1 A 74 74 GLY H H 74 8.533 8.795 -0.262 1
1 896 . 8 1 1 A 74 74 GLY HA2 H 74 4.069 3.923 0.146 1
1 897 . 8 1 1 A 74 74 GLY HA3 H 74 3.844 3.933 -0.089 1
1 898 . 8 1 1 A 74 74 GLY C C 74 175.060 174.098 0.962 1
1 899 . 8 1 1 A 74 74 GLY CA C 74 46.117 46.581 -0.464 1
1 900 . 8 1 1 A 74 74 GLY N N 74 108.255 105.507 2.748 1
1 901 . 8 1 1 A 75 75 THR H H 75 7.534 7.719 -0.185 1
1 902 . 8 1 1 A 75 75 THR HA H 75 4.687 4.805 -0.118 1
1 907 . 8 1 1 A 75 75 THR C C 75 173.779 173.172 0.607 1
1 908 . 8 1 1 A 75 75 THR CA C 75 61.115 60.570 0.545 1
1 909 . 8 1 1 A 75 75 THR CB C 75 71.585 70.341 1.244 1
1 911 . 8 1 1 A 75 75 THR N N 75 111.431 111.880 -0.449 1
1 912 . 8 1 1 A 76 76 GLN H H 76 8.590 8.443 0.147 1
1 913 . 8 1 1 A 76 76 GLN HA H 76 5.238 5.103 0.135 1
1 920 . 8 1 1 A 76 76 GLN C C 76 173.605 174.846 -1.241 1
1 921 . 8 1 1 A 76 76 GLN CA C 76 54.556 54.022 0.534 1
1 922 . 8 1 1 A 76 76 GLN CB C 76 31.657 32.821 -1.164 1
1 924 . 8 1 1 A 76 76 GLN N N 76 117.495 118.944 -1.449 1
1 926 . 8 1 1 A 77 77 CYS H H 77 9.058 9.005 0.053 1
1 927 . 8 1 1 A 77 77 CYS HA H 77 4.780 4.876 -0.096 1
1 930 . 8 1 1 A 77 77 CYS C C 77 172.371 173.000 -0.629 1
1 931 . 8 1 1 A 77 77 CYS CA C 77 56.886 57.817 -0.931 1
1 932 . 8 1 1 A 77 77 CYS CB C 77 31.492 31.848 -0.356 1
1 933 . 8 1 1 A 77 77 CYS N N 77 114.572 118.805 -4.233 1
1 934 . 8 1 1 A 78 78 PHE H H 78 8.872 8.797 0.075 1
1 935 . 8 1 1 A 78 78 PHE HA H 78 5.419 5.021 0.398 1
1 943 . 8 1 1 A 78 78 PHE CA C 78 58.466 56.779 1.687 1
1 944 . 8 1 1 A 78 78 PHE CB C 78 42.360 38.954 3.406 1
1 950 . 8 1 1 A 78 78 PHE N N 78 120.396 122.176 -1.780 1
1 951 . 8 1 1 A 79 79 TRP H H 79 10.003 9.489 0.514 1
1 952 . 8 1 1 A 79 79 TRP HA H 79 4.907 5.578 -0.671 1
1 961 . 8 1 1 A 79 79 TRP CA C 79 57.535 56.994 0.541 1
1 962 . 8 1 1 A 79 79 TRP CB C 79 30.788 30.861 -0.073 1
1 968 . 8 1 1 A 79 79 TRP N N 79 120.993 125.553 -4.560 1
1 970 . 8 1 1 A 80 80 ILE H H 80 9.669 9.460 0.209 1
1 971 . 8 1 1 A 80 80 ILE HA H 80 3.773 4.111 -0.338 1
1 981 . 8 1 1 A 80 80 ILE C C 80 174.675 175.312 -0.637 1
1 982 . 8 1 1 A 80 80 ILE CA C 80 61.505 61.069 0.436 1
1 983 . 8 1 1 A 80 80 ILE CB C 80 40.765 37.081 3.684 1
1 987 . 8 1 1 A 80 80 ILE N N 80 122.205 125.348 -3.143 1
1 988 . 8 1 1 A 81 81 LEU H H 81 8.489 8.429 0.060 1
1 989 . 8 1 1 A 81 81 LEU HA H 81 5.037 4.552 0.485 1
1 999 . 8 1 1 A 81 81 LEU C C 81 177.301 176.445 0.856 1
1 1000 . 8 1 1 A 81 81 LEU CA C 81 53.483 54.458 -0.975 1
1 1001 . 8 1 1 A 81 81 LEU CB C 81 40.344 41.635 -1.291 1
1 1005 . 8 1 1 A 81 81 LEU N N 81 127.849 129.252 -1.403 1
1 1006 . 8 1 1 A 82 82 ARG H H 82 8.980 9.253 -0.273 1
1 1007 . 8 1 1 A 82 82 ARG HA H 82 5.127 4.456 0.671 1
1 1014 . 8 1 1 A 82 82 ARG C C 82 179.527 177.603 1.924 1
1 1015 . 8 1 1 A 82 82 ARG CA C 82 57.410 55.220 2.190 1
1 1016 . 8 1 1 A 82 82 ARG CB C 82 31.995 31.583 0.412 1
1 1019 . 8 1 1 A 82 82 ARG N N 82 121.829 124.318 -2.489 1
1 1020 . 8 1 1 A 83 83 THR H H 83 8.427 8.438 -0.011 1
1 1021 . 8 1 1 A 83 83 THR HA H 83 3.823 3.932 -0.109 1
1 1026 . 8 1 1 A 83 83 THR C C 83 174.540 175.573 -1.033 1
1 1027 . 8 1 1 A 83 83 THR CA C 83 64.441 65.199 -0.758 1
1 1028 . 8 1 1 A 83 83 THR CB C 83 67.987 68.278 -0.291 1
1 1030 . 8 1 1 A 83 83 THR N N 83 111.631 117.560 -5.929 1
1 1031 . 8 1 1 A 84 84 ASP H H 84 7.431 7.845 -0.414 1
1 1032 . 8 1 1 A 84 84 ASP HA H 84 4.706 4.518 0.188 1
1 1035 . 8 1 1 A 84 84 ASP C C 84 177.092 176.174 0.918 1
1 1036 . 8 1 1 A 84 84 ASP CA C 84 52.983 54.328 -1.345 1
1 1037 . 8 1 1 A 84 84 ASP CB C 84 40.502 40.941 -0.439 1
1 1038 . 8 1 1 A 84 84 ASP N N 84 117.630 121.337 -3.707 1
1 1039 . 8 1 1 A 85 85 GLY H H 85 7.924 8.011 -0.087 1
1 1040 . 8 1 1 A 85 85 GLY HA2 H 85 3.741 3.956 -0.215 1
1 1041 . 8 1 1 A 85 85 GLY HA3 H 85 4.364 3.959 0.405 1
1 1042 . 8 1 1 A 85 85 GLY C C 85 174.007 174.150 -0.143 1
1 1043 . 8 1 1 A 85 85 GLY CA C 85 45.370 45.001 0.369 1
1 1044 . 8 1 1 A 85 85 GLY N N 85 108.078 106.465 1.613 1
1 1045 . 8 1 1 A 86 86 SER H H 86 8.009 8.032 -0.023 1
1 1046 . 8 1 1 A 86 86 SER HA H 86 4.563 4.696 -0.133 1
1 1049 . 8 1 1 A 86 86 SER C C 86 172.835 173.823 -0.988 1
1 1050 . 8 1 1 A 86 86 SER CA C 86 58.731 57.336 1.395 1
1 1051 . 8 1 1 A 86 86 SER CB C 86 64.803 64.727 0.076 1
1 1052 . 8 1 1 A 86 86 SER N N 86 117.029 116.319 0.710 1
1 1053 . 8 1 1 A 87 87 GLU H H 87 8.593 9.057 -0.464 1
1 1054 . 8 1 1 A 87 87 GLU HA H 87 5.921 5.554 0.367 1
1 1059 . 8 1 1 A 87 87 GLU C C 87 175.873 174.435 1.438 1
1 1060 . 8 1 1 A 87 87 GLU CA C 87 54.343 54.662 -0.319 1
1 1061 . 8 1 1 A 87 87 GLU CB C 87 33.925 33.966 -0.041 1
1 1063 . 8 1 1 A 87 87 GLU N N 87 116.585 119.193 -2.608 1
1 1064 . 8 1 1 A 88 88 GLU HA H 88 4.496 4.800 -0.304 1
1 1069 . 8 1 1 A 88 88 GLU CA C 88 55.840 55.839 0.001 1
1 1070 . 8 1 1 A 88 88 GLU CB C 88 34.310 33.626 0.684 1
1 1072 . 8 1 1 A 89 89 ARG H H 89 8.013 8.541 -0.528 1
1 1073 . 8 1 1 A 89 89 ARG HA H 89 3.184 4.752 -1.568 1
1 1080 . 8 1 1 A 89 89 ARG CA C 89 56.576 54.172 2.404 1
1 1081 . 8 1 1 A 89 89 ARG CB C 89 30.462 31.635 -1.173 1
1 1084 . 8 1 1 A 89 89 ARG N N 89 127.945 122.383 5.562 1
1 1085 . 8 1 1 A 90 90 PHE HA H 90 5.021 5.466 -0.445 1
1 1093 . 8 1 1 A 90 90 PHE CA C 90 55.089 55.235 -0.146 1
1 1094 . 8 1 1 A 90 90 PHE CB C 90 40.446 41.552 -1.106 1
1 1100 . 8 1 1 A 91 91 SER HA H 91 4.639 4.664 -0.025 1
1 1103 . 8 1 1 A 91 91 SER CA C 91 56.242 57.554 -1.312 1
1 1104 . 8 1 1 A 91 91 SER CB C 91 62.621 62.241 0.380 1
1 1105 . 8 1 1 A 92 92 TYR HA H 92 4.268 4.293 -0.025 1
1 1112 . 8 1 1 A 92 92 TYR C C 92 176.450 177.073 -0.623 1
1 1113 . 8 1 1 A 92 92 TYR CA C 92 59.575 61.284 -1.709 1
1 1114 . 8 1 1 A 92 92 TYR CB C 92 37.283 37.754 -0.471 1
1 1119 . 8 1 1 A 93 93 LYS H H 93 7.405 7.409 -0.004 1
1 1120 . 8 1 1 A 93 93 LYS HA H 93 3.749 3.837 -0.088 1
1 1129 . 8 1 1 A 93 93 LYS C C 93 177.715 177.184 0.531 1
1 1130 . 8 1 1 A 93 93 LYS CA C 93 58.446 58.787 -0.341 1
1 1131 . 8 1 1 A 93 93 LYS CB C 93 31.822 32.027 -0.205 1
1 1135 . 8 1 1 A 93 93 LYS N N 93 120.689 117.556 3.133 1
1 1136 . 8 1 1 A 94 94 LYS H H 94 7.405 7.775 -0.370 1
1 1137 . 8 1 1 A 94 94 LYS HA H 94 4.079 4.410 -0.331 1
1 1146 . 8 1 1 A 94 94 LYS C C 94 176.709 176.254 0.455 1
1 1147 . 8 1 1 A 94 94 LYS CA C 94 56.479 55.282 1.197 1
1 1148 . 8 1 1 A 94 94 LYS CB C 94 32.760 30.282 2.478 1
1 1152 . 8 1 1 A 94 94 LYS N N 94 115.712 117.286 -1.574 1
1 1153 . 8 1 1 A 95 95 CYS H H 95 7.537 8.329 -0.792 1
1 1154 . 8 1 1 A 95 95 CYS HA H 95 3.937 4.806 -0.869 1
1 1157 . 8 1 1 A 95 95 CYS C C 95 173.487 173.443 0.044 1
1 1158 . 8 1 1 A 95 95 CYS CA C 95 61.795 58.313 3.482 1
1 1159 . 8 1 1 A 95 95 CYS CB C 95 27.546 29.328 -1.782 1
1 1160 . 8 1 1 A 95 95 CYS N N 95 115.586 124.013 -8.427 1
1 1161 . 8 1 1 A 96 96 VAL HA H 96 4.154 4.658 -0.504 1
1 1169 . 8 1 1 A 96 96 VAL C C 96 175.216 174.904 0.312 1
1 1170 . 8 1 1 A 96 96 VAL CA C 96 61.916 61.915 0.001 1
1 1171 . 8 1 1 A 96 96 VAL CB C 96 31.695 33.596 -1.901 1
1 1174 . 8 1 1 A 97 97 LEU H H 97 8.002 8.980 -0.978 1
1 1175 . 8 1 1 A 97 97 LEU HA H 97 4.316 5.007 -0.691 1
1 1185 . 8 1 1 A 97 97 LEU C C 97 176.168 175.565 0.603 1
1 1186 . 8 1 1 A 97 97 LEU CA C 97 54.770 53.353 1.417 1
1 1187 . 8 1 1 A 97 97 LEU CB C 97 42.558 46.712 -4.154 1
1 1191 . 8 1 1 A 97 97 LEU N N 97 124.364 127.340 -2.976 1
1 1192 . 8 1 1 A 98 98 GLU H H 98 8.345 8.752 -0.407 1
1 1193 . 8 1 1 A 98 98 GLU HA H 98 4.301 4.592 -0.291 1
1 1198 . 8 1 1 A 98 98 GLU C C 98 175.732 175.023 0.709 1
1 1199 . 8 1 1 A 98 98 GLU CA C 98 55.988 55.421 0.567 1
1 1200 . 8 1 1 A 98 98 GLU CB C 98 30.989 33.652 -2.663 1
1 1 . 9 1 1 A 2 2 ALA HA H 2 4.102 5.218 -1.116 1
1 5 . 9 1 1 A 2 2 ALA CA C 2 51.775 50.759 1.016 1
1 6 . 9 1 1 A 2 2 ALA CB C 2 19.665 24.013 -4.348 1
1 7 . 9 1 1 A 3 3 LYS HA H 3 4.329 4.581 -0.252 1
1 15 . 9 1 1 A 3 3 LYS C C 3 176.086 175.334 0.752 1
1 16 . 9 1 1 A 3 3 LYS CA C 3 56.354 55.763 0.591 1
1 17 . 9 1 1 A 3 3 LYS CB C 3 33.325 34.514 -1.189 1
1 21 . 9 1 1 A 4 4 ALA H H 4 8.515 7.680 0.835 1
1 22 . 9 1 1 A 4 4 ALA HA H 4 4.356 4.611 -0.255 1
1 26 . 9 1 1 A 4 4 ALA C C 4 177.307 176.253 1.054 1
1 27 . 9 1 1 A 4 4 ALA CA C 4 52.316 51.032 1.284 1
1 28 . 9 1 1 A 4 4 ALA CB C 4 19.421 21.696 -2.275 1
1 29 . 9 1 1 A 4 4 ALA N N 4 126.866 119.289 7.577 1
1 30 . 9 1 1 A 5 5 GLN H H 5 8.521 8.735 -0.214 1
1 31 . 9 1 1 A 5 5 GLN HA H 5 4.652 4.419 0.233 1
1 38 . 9 1 1 A 5 5 GLN C C 5 173.576 175.024 -1.448 1
1 39 . 9 1 1 A 5 5 GLN CA C 5 53.470 57.359 -3.889 1
1 40 . 9 1 1 A 5 5 GLN CB C 5 29.457 27.749 1.708 1
1 42 . 9 1 1 A 5 5 GLN N N 5 122.182 114.810 7.372 1
1 44 . 9 1 1 A 6 6 PRO HA H 6 4.587 4.549 0.038 1
1 51 . 9 1 1 A 6 6 PRO C C 6 176.481 176.068 0.413 1
1 52 . 9 1 1 A 6 6 PRO CA C 6 63.028 62.614 0.414 1
1 53 . 9 1 1 A 6 6 PRO CB C 6 32.905 32.383 0.522 1
1 56 . 9 1 1 A 7 7 ILE H H 7 8.581 8.598 -0.017 1
1 57 . 9 1 1 A 7 7 ILE HA H 7 4.245 4.319 -0.074 1
1 67 . 9 1 1 A 7 7 ILE C C 7 174.129 174.761 -0.632 1
1 68 . 9 1 1 A 7 7 ILE CA C 7 60.613 60.744 -0.131 1
1 69 . 9 1 1 A 7 7 ILE CB C 7 40.266 36.751 3.515 1
1 73 . 9 1 1 A 7 7 ILE N N 7 120.418 122.703 -2.285 1
1 74 . 9 1 1 A 8 8 GLU H H 8 8.572 8.729 -0.157 1
1 75 . 9 1 1 A 8 8 GLU HA H 8 5.363 4.914 0.449 1
1 80 . 9 1 1 A 8 8 GLU C C 8 175.806 175.396 0.410 1
1 81 . 9 1 1 A 8 8 GLU CA C 8 54.749 55.752 -1.003 1
1 82 . 9 1 1 A 8 8 GLU CB C 8 31.505 31.027 0.478 1
1 84 . 9 1 1 A 8 8 GLU N N 8 128.440 128.322 0.118 1
1 85 . 9 1 1 A 9 9 ILE H H 9 8.591 8.828 -0.237 1
1 86 . 9 1 1 A 9 9 ILE HA H 9 4.111 4.417 -0.306 1
1 96 . 9 1 1 A 9 9 ILE C C 9 174.977 176.117 -1.140 1
1 97 . 9 1 1 A 9 9 ILE CA C 9 60.967 60.220 0.747 1
1 98 . 9 1 1 A 9 9 ILE CB C 9 41.559 40.184 1.375 1
1 102 . 9 1 1 A 9 9 ILE N N 9 123.957 127.890 -3.933 1
1 103 . 9 1 1 A 10 10 ALA H H 10 9.398 9.143 0.255 1
1 104 . 9 1 1 A 10 10 ALA HA H 10 4.072 4.060 0.012 1
1 108 . 9 1 1 A 10 10 ALA C C 10 177.026 177.337 -0.311 1
1 109 . 9 1 1 A 10 10 ALA CA C 10 52.646 53.349 -0.703 1
1 110 . 9 1 1 A 10 10 ALA CB C 10 18.121 17.972 0.149 1
1 111 . 9 1 1 A 10 10 ALA N N 10 130.074 131.887 -1.813 1
1 112 . 9 1 1 A 11 11 GLY H H 11 8.958 8.509 0.449 1
1 113 . 9 1 1 A 11 11 GLY HA2 H 11 4.046 3.621 0.425 1
1 114 . 9 1 1 A 11 11 GLY HA3 H 11 3.570 3.694 -0.124 1
1 115 . 9 1 1 A 11 11 GLY C C 11 174.139 173.761 0.378 1
1 116 . 9 1 1 A 11 11 GLY CA C 11 45.467 45.595 -0.128 1
1 117 . 9 1 1 A 11 11 GLY N N 11 105.460 102.857 2.603 1
1 118 . 9 1 1 A 12 12 HIS H H 12 8.189 7.786 0.403 1
1 119 . 9 1 1 A 12 12 HIS HA H 12 4.325 4.580 -0.255 1
1 124 . 9 1 1 A 12 12 HIS C C 12 173.060 173.514 -0.454 1
1 125 . 9 1 1 A 12 12 HIS CA C 12 54.628 54.306 0.322 1
1 126 . 9 1 1 A 12 12 HIS CB C 12 30.432 30.329 0.103 1
1 129 . 9 1 1 A 12 12 HIS N N 12 120.216 117.535 2.681 1
1 130 . 9 1 1 A 13 13 GLU H H 13 8.338 8.294 0.044 1
1 131 . 9 1 1 A 13 13 GLU HA H 13 4.659 4.406 0.253 1
1 136 . 9 1 1 A 13 13 GLU C C 13 175.231 175.457 -0.226 1
1 137 . 9 1 1 A 13 13 GLU CA C 13 55.147 55.611 -0.464 1
1 138 . 9 1 1 A 13 13 GLU CB C 13 31.218 29.887 1.331 1
1 140 . 9 1 1 A 13 13 GLU N N 13 122.925 123.343 -0.418 1
1 141 . 9 1 1 A 14 14 PHE H H 14 9.117 9.079 0.038 1
1 142 . 9 1 1 A 14 14 PHE HA H 14 4.941 5.005 -0.064 1
1 150 . 9 1 1 A 14 14 PHE C C 14 175.179 176.349 -1.170 1
1 151 . 9 1 1 A 14 14 PHE CA C 14 56.302 57.690 -1.388 1
1 152 . 9 1 1 A 14 14 PHE CB C 14 41.499 39.502 1.997 1
1 158 . 9 1 1 A 14 14 PHE N N 14 123.141 124.646 -1.505 1
1 159 . 9 1 1 A 15 15 ALA H H 15 9.393 8.776 0.617 1
1 160 . 9 1 1 A 15 15 ALA HA H 15 4.130 4.289 -0.159 1
1 164 . 9 1 1 A 15 15 ALA C C 15 177.675 177.081 0.594 1
1 165 . 9 1 1 A 15 15 ALA CA C 15 54.880 53.673 1.207 1
1 166 . 9 1 1 A 15 15 ALA CB C 15 18.986 19.034 -0.048 1
1 167 . 9 1 1 A 15 15 ALA N N 15 126.102 127.250 -1.148 1
1 168 . 9 1 1 A 16 16 ARG H H 16 7.756 7.755 0.001 1
1 169 . 9 1 1 A 16 16 ARG HA H 16 4.809 4.643 0.166 1
1 176 . 9 1 1 A 16 16 ARG C C 16 177.344 175.721 1.623 1
1 177 . 9 1 1 A 16 16 ARG CA C 16 53.409 55.729 -2.320 1
1 178 . 9 1 1 A 16 16 ARG CB C 16 33.323 33.861 -0.538 1
1 181 . 9 1 1 A 16 16 ARG N N 16 110.189 117.308 -7.119 1
1 182 . 9 1 1 A 17 17 LYS H H 17 9.303 9.098 0.205 1
1 183 . 9 1 1 A 17 17 LYS HA H 17 3.742 3.975 -0.233 1
1 192 . 9 1 1 A 17 17 LYS C C 17 178.667 178.833 -0.166 1
1 193 . 9 1 1 A 17 17 LYS CA C 17 60.663 60.238 0.425 1
1 194 . 9 1 1 A 17 17 LYS CB C 17 32.005 32.191 -0.186 1
1 198 . 9 1 1 A 17 17 LYS N N 17 125.242 124.715 0.527 1
1 199 . 9 1 1 A 18 18 ALA H H 18 8.777 8.055 0.722 1
1 200 . 9 1 1 A 18 18 ALA HA H 18 4.046 4.108 -0.062 1
1 204 . 9 1 1 A 18 18 ALA C C 18 180.134 179.013 1.121 1
1 205 . 9 1 1 A 18 18 ALA CA C 18 55.181 55.197 -0.016 1
1 206 . 9 1 1 A 18 18 ALA CB C 18 18.633 18.495 0.138 1
1 207 . 9 1 1 A 18 18 ALA N N 18 118.670 122.251 -3.581 1
1 208 . 9 1 1 A 19 19 ASP H H 19 7.454 8.398 -0.944 1
1 209 . 9 1 1 A 19 19 ASP HA H 19 4.586 4.410 0.176 1
1 212 . 9 1 1 A 19 19 ASP C C 19 178.469 178.167 0.302 1
1 213 . 9 1 1 A 19 19 ASP CA C 19 57.082 57.295 -0.213 1
1 214 . 9 1 1 A 19 19 ASP CB C 19 41.304 42.146 -0.842 1
1 215 . 9 1 1 A 19 19 ASP N N 19 117.020 118.056 -1.036 1
1 216 . 9 1 1 A 20 20 ALA H H 20 7.123 7.425 -0.302 1
1 217 . 9 1 1 A 20 20 ALA HA H 20 2.604 2.800 -0.196 1
1 221 . 9 1 1 A 20 20 ALA C C 20 178.706 179.884 -1.178 1
1 222 . 9 1 1 A 20 20 ALA CA C 20 54.453 54.618 -0.165 1
1 223 . 9 1 1 A 20 20 ALA CB C 20 18.199 18.125 0.074 1
1 224 . 9 1 1 A 20 20 ALA N N 20 124.691 121.763 2.928 1
1 225 . 9 1 1 A 21 21 LEU H H 21 7.871 8.357 -0.486 1
1 226 . 9 1 1 A 21 21 LEU HA H 21 4.008 4.027 -0.019 1
1 236 . 9 1 1 A 21 21 LEU C C 21 179.041 178.925 0.116 1
1 237 . 9 1 1 A 21 21 LEU CA C 21 58.398 57.908 0.490 1
1 238 . 9 1 1 A 21 21 LEU CB C 21 41.382 41.658 -0.276 1
1 242 . 9 1 1 A 21 21 LEU N N 21 116.889 118.449 -1.560 1
1 243 . 9 1 1 A 22 22 ALA H H 22 7.972 8.339 -0.367 1
1 244 . 9 1 1 A 22 22 ALA HA H 22 4.158 4.079 0.079 1
1 248 . 9 1 1 A 22 22 ALA C C 22 179.288 178.885 0.403 1
1 249 . 9 1 1 A 22 22 ALA CA C 22 55.180 53.500 1.680 1
1 250 . 9 1 1 A 22 22 ALA CB C 22 18.013 18.581 -0.568 1
1 251 . 9 1 1 A 22 22 ALA N N 22 121.219 120.602 0.617 1
1 252 . 9 1 1 A 23 23 PHE H H 23 7.546 7.724 -0.178 1
1 253 . 9 1 1 A 23 23 PHE HA H 23 4.081 4.049 0.032 1
1 261 . 9 1 1 A 23 23 PHE C C 23 178.515 176.583 1.932 1
1 262 . 9 1 1 A 23 23 PHE CA C 23 61.520 61.190 0.330 1
1 263 . 9 1 1 A 23 23 PHE CB C 23 40.296 38.850 1.446 1
1 269 . 9 1 1 A 23 23 PHE N N 23 119.034 119.741 -0.707 1
1 270 . 9 1 1 A 24 24 MET H H 24 7.595 8.174 -0.579 1
1 271 . 9 1 1 A 24 24 MET HA H 24 3.768 3.766 0.002 1
1 279 . 9 1 1 A 24 24 MET C C 24 176.037 178.421 -2.384 1
1 280 . 9 1 1 A 24 24 MET CA C 24 59.901 58.678 1.223 1
1 281 . 9 1 1 A 24 24 MET CB C 24 34.008 32.441 1.567 1
1 284 . 9 1 1 A 24 24 MET N N 24 118.377 116.863 1.514 1
1 285 . 9 1 1 A 25 25 LYS H H 25 8.131 8.269 -0.138 1
1 286 . 9 1 1 A 25 25 LYS HA H 25 3.747 3.963 -0.216 1
1 295 . 9 1 1 A 25 25 LYS C C 25 178.865 178.303 0.562 1
1 296 . 9 1 1 A 25 25 LYS CA C 25 59.994 59.650 0.344 1
1 297 . 9 1 1 A 25 25 LYS CB C 25 32.365 32.285 0.080 1
1 301 . 9 1 1 A 25 25 LYS N N 25 121.901 120.510 1.391 1
1 302 . 9 1 1 A 26 26 VAL H H 26 7.986 7.712 0.274 1
1 303 . 9 1 1 A 26 26 VAL HA H 26 3.515 3.485 0.030 1
1 311 . 9 1 1 A 26 26 VAL C C 26 178.654 177.845 0.809 1
1 312 . 9 1 1 A 26 26 VAL CA C 26 66.337 66.651 -0.314 1
1 313 . 9 1 1 A 26 26 VAL CB C 26 31.302 31.442 -0.140 1
1 316 . 9 1 1 A 26 26 VAL N N 26 119.393 119.691 -0.298 1
1 317 . 9 1 1 A 27 27 MET H H 27 7.232 7.876 -0.644 1
1 318 . 9 1 1 A 27 27 MET HA H 27 3.586 4.036 -0.450 1
1 326 . 9 1 1 A 27 27 MET C C 27 177.564 178.525 -0.961 1
1 327 . 9 1 1 A 27 27 MET CA C 27 59.113 58.480 0.633 1
1 328 . 9 1 1 A 27 27 MET CB C 27 34.025 32.109 1.916 1
1 331 . 9 1 1 A 27 27 MET N N 27 119.647 119.092 0.555 1
1 332 . 9 1 1 A 28 28 LEU H H 28 8.201 8.084 0.117 1
1 333 . 9 1 1 A 28 28 LEU HA H 28 3.733 4.089 -0.356 1
1 343 . 9 1 1 A 28 28 LEU C C 28 178.075 178.852 -0.777 1
1 344 . 9 1 1 A 28 28 LEU CA C 28 57.980 58.013 -0.033 1
1 345 . 9 1 1 A 28 28 LEU CB C 28 41.151 41.209 -0.058 1
1 349 . 9 1 1 A 28 28 LEU N N 28 118.420 123.396 -4.976 1
1 350 . 9 1 1 A 29 29 ASN H H 29 7.579 8.292 -0.713 1
1 351 . 9 1 1 A 29 29 ASN HA H 29 4.512 4.975 -0.463 1
1 356 . 9 1 1 A 29 29 ASN C C 29 176.087 177.758 -1.671 1
1 357 . 9 1 1 A 29 29 ASN CA C 29 54.286 55.498 -1.212 1
1 358 . 9 1 1 A 29 29 ASN CB C 29 38.984 38.184 0.800 1
1 359 . 9 1 1 A 29 29 ASN N N 29 112.254 116.799 -4.545 1
1 361 . 9 1 1 A 30 30 ARG H H 30 7.621 7.498 0.123 1
1 362 . 9 1 1 A 30 30 ARG HA H 30 4.169 3.887 0.282 1
1 369 . 9 1 1 A 30 30 ARG C C 30 175.926 175.945 -0.019 1
1 370 . 9 1 1 A 30 30 ARG CA C 30 57.482 58.439 -0.957 1
1 371 . 9 1 1 A 30 30 ARG CB C 30 30.404 30.141 0.263 1
1 374 . 9 1 1 A 30 30 ARG N N 30 118.878 119.858 -0.980 1
1 375 . 9 1 1 A 31 31 TYR H H 31 7.287 7.688 -0.401 1
1 376 . 9 1 1 A 31 31 TYR HA H 31 4.690 4.863 -0.173 1
1 383 . 9 1 1 A 31 31 TYR C C 31 174.348 175.859 -1.511 1
1 384 . 9 1 1 A 31 31 TYR CA C 31 58.118 57.825 0.293 1
1 385 . 9 1 1 A 31 31 TYR CB C 31 43.045 40.671 2.374 1
1 390 . 9 1 1 A 31 31 TYR N N 31 118.414 117.155 1.259 1
1 391 . 9 1 1 A 32 32 ARG H H 32 9.314 8.681 0.633 1
1 392 . 9 1 1 A 32 32 ARG HA H 32 4.913 4.686 0.227 1
1 399 . 9 1 1 A 32 32 ARG C C 32 173.525 176.111 -2.586 1
1 400 . 9 1 1 A 32 32 ARG CA C 32 52.775 54.127 -1.352 1
1 401 . 9 1 1 A 32 32 ARG CB C 32 30.292 30.132 0.160 1
1 404 . 9 1 1 A 32 32 ARG N N 32 121.876 122.208 -0.332 1
1 405 . 9 1 1 A 33 33 PRO HA H 33 3.870 4.387 -0.517 1
1 412 . 9 1 1 A 33 33 PRO C C 33 177.517 176.837 0.680 1
1 413 . 9 1 1 A 33 33 PRO CA C 33 64.332 63.739 0.593 1
1 414 . 9 1 1 A 33 33 PRO CB C 33 31.655 31.048 0.607 1
1 417 . 9 1 1 A 34 34 GLY H H 34 9.584 8.254 1.330 1
1 418 . 9 1 1 A 34 34 GLY HA2 H 34 4.422 4.035 0.387 1
1 419 . 9 1 1 A 34 34 GLY HA3 H 34 3.725 4.068 -0.343 1
1 420 . 9 1 1 A 34 34 GLY C C 34 174.605 173.245 1.360 1
1 421 . 9 1 1 A 34 34 GLY CA C 34 44.745 45.583 -0.838 1
1 422 . 9 1 1 A 34 34 GLY N N 34 115.669 106.598 9.071 1
1 423 . 9 1 1 A 35 35 ASP H H 35 8.252 7.713 0.539 1
1 424 . 9 1 1 A 35 35 ASP HA H 35 4.691 5.068 -0.377 1
1 427 . 9 1 1 A 35 35 ASP C C 35 175.279 175.542 -0.263 1
1 428 . 9 1 1 A 35 35 ASP CA C 35 55.195 53.516 1.679 1
1 429 . 9 1 1 A 35 35 ASP CB C 35 42.301 42.283 0.018 1
1 430 . 9 1 1 A 35 35 ASP N N 35 122.076 119.732 2.344 1
1 431 . 9 1 1 A 36 36 ILE H H 36 8.194 8.647 -0.453 1
1 432 . 9 1 1 A 36 36 ILE HA H 36 4.546 4.589 -0.043 1
1 442 . 9 1 1 A 36 36 ILE C C 36 176.709 175.991 0.718 1
1 443 . 9 1 1 A 36 36 ILE CA C 36 59.572 59.735 -0.163 1
1 444 . 9 1 1 A 36 36 ILE CB C 36 37.870 40.022 -2.152 1
1 448 . 9 1 1 A 36 36 ILE N N 36 120.260 121.212 -0.952 1
1 449 . 9 1 1 A 37 37 VAL H H 37 7.963 8.845 -0.882 1
1 450 . 9 1 1 A 37 37 VAL HA H 37 3.671 3.304 0.367 1
1 458 . 9 1 1 A 37 37 VAL C C 37 176.530 176.187 0.343 1
1 459 . 9 1 1 A 37 37 VAL CA C 37 62.969 62.826 0.143 1
1 460 . 9 1 1 A 37 37 VAL CB C 37 32.201 31.830 0.371 1
1 463 . 9 1 1 A 37 37 VAL N N 37 126.533 127.892 -1.359 1
1 464 . 9 1 1 A 38 38 SER H H 38 8.852 8.526 0.326 1
1 465 . 9 1 1 A 38 38 SER HA H 38 4.600 4.543 0.057 1
1 468 . 9 1 1 A 38 38 SER C C 38 174.950 175.733 -0.783 1
1 469 . 9 1 1 A 38 38 SER CA C 38 58.147 58.999 -0.852 1
1 470 . 9 1 1 A 38 38 SER CB C 38 65.224 64.277 0.947 1
1 471 . 9 1 1 A 38 38 SER N N 38 122.752 122.168 0.584 1
1 472 . 9 1 1 A 39 39 THR H H 39 8.870 8.844 0.026 1
1 473 . 9 1 1 A 39 39 THR HA H 39 4.153 4.041 0.112 1
1 478 . 9 1 1 A 39 39 THR C C 39 177.855 176.129 1.726 1
1 479 . 9 1 1 A 39 39 THR CA C 39 66.299 66.961 -0.662 1
1 480 . 9 1 1 A 39 39 THR CB C 39 68.559 68.868 -0.309 1
1 482 . 9 1 1 A 39 39 THR N N 39 116.391 118.676 -2.285 1
1 483 . 9 1 1 A 40 40 VAL H H 40 8.018 8.232 -0.214 1
1 484 . 9 1 1 A 40 40 VAL HA H 40 4.028 3.668 0.360 1
1 492 . 9 1 1 A 40 40 VAL C C 40 178.339 177.723 0.616 1
1 493 . 9 1 1 A 40 40 VAL CA C 40 65.776 66.752 -0.976 1
1 494 . 9 1 1 A 40 40 VAL CB C 40 32.139 31.718 0.421 1
1 497 . 9 1 1 A 40 40 VAL N N 40 121.035 121.821 -0.786 1
1 498 . 9 1 1 A 41 41 ASP H H 41 7.610 8.771 -1.161 1
1 499 . 9 1 1 A 41 41 ASP HA H 41 4.570 4.378 0.192 1
1 502 . 9 1 1 A 41 41 ASP C C 41 178.746 179.992 -1.246 1
1 503 . 9 1 1 A 41 41 ASP CA C 41 57.492 57.138 0.354 1
1 504 . 9 1 1 A 41 41 ASP CB C 41 39.740 40.069 -0.329 1
1 505 . 9 1 1 A 41 41 ASP N N 41 124.108 119.870 4.238 1
1 506 . 9 1 1 A 42 42 GLY H H 42 9.363 8.593 0.770 1
1 507 . 9 1 1 A 42 42 GLY HA2 H 42 4.186 3.532 0.654 1
1 508 . 9 1 1 A 42 42 GLY HA3 H 42 3.584 3.902 -0.318 1
1 509 . 9 1 1 A 42 42 GLY C C 42 175.329 176.454 -1.125 1
1 510 . 9 1 1 A 42 42 GLY CA C 42 46.944 47.180 -0.236 1
1 511 . 9 1 1 A 42 42 GLY N N 42 109.572 109.017 0.555 1
1 512 . 9 1 1 A 43 43 ALA H H 43 7.949 8.113 -0.164 1
1 513 . 9 1 1 A 43 43 ALA HA H 43 4.240 4.071 0.169 1
1 517 . 9 1 1 A 43 43 ALA C C 43 180.375 179.797 0.578 1
1 518 . 9 1 1 A 43 43 ALA CA C 43 54.897 54.744 0.153 1
1 519 . 9 1 1 A 43 43 ALA CB C 43 17.895 18.417 -0.522 1
1 520 . 9 1 1 A 43 43 ALA N N 43 123.561 124.679 -1.118 1
1 521 . 9 1 1 A 44 44 PHE H H 44 7.337 7.899 -0.562 1
1 522 . 9 1 1 A 44 44 PHE HA H 44 3.957 4.313 -0.356 1
1 530 . 9 1 1 A 44 44 PHE C C 44 177.252 176.702 0.550 1
1 531 . 9 1 1 A 44 44 PHE CA C 44 61.508 61.376 0.132 1
1 532 . 9 1 1 A 44 44 PHE CB C 44 38.993 39.295 -0.302 1
1 538 . 9 1 1 A 44 44 PHE N N 44 118.542 120.856 -2.314 1
1 539 . 9 1 1 A 45 45 LEU H H 45 8.301 8.071 0.230 1
1 540 . 9 1 1 A 45 45 LEU HA H 45 3.741 3.652 0.089 1
1 550 . 9 1 1 A 45 45 LEU C C 45 178.847 178.776 0.071 1
1 551 . 9 1 1 A 45 45 LEU CA C 45 57.643 57.708 -0.065 1
1 552 . 9 1 1 A 45 45 LEU CB C 45 41.274 40.868 0.406 1
1 556 . 9 1 1 A 45 45 LEU N N 45 119.345 119.547 -0.202 1
1 557 . 9 1 1 A 46 46 VAL H H 46 8.562 8.070 0.492 1
1 558 . 9 1 1 A 46 46 VAL HA H 46 3.759 3.493 0.266 1
1 566 . 9 1 1 A 46 46 VAL C C 46 177.077 177.274 -0.197 1
1 567 . 9 1 1 A 46 46 VAL CA C 46 67.081 67.075 0.006 1
1 568 . 9 1 1 A 46 46 VAL CB C 46 31.639 31.560 0.079 1
1 571 . 9 1 1 A 46 46 VAL N N 46 118.458 118.807 -0.349 1
1 572 . 9 1 1 A 47 47 GLU H H 47 6.896 8.021 -1.125 1
1 573 . 9 1 1 A 47 47 GLU HA H 47 4.019 3.941 0.078 1
1 578 . 9 1 1 A 47 47 GLU C C 47 179.738 179.350 0.388 1
1 579 . 9 1 1 A 47 47 GLU CA C 47 58.582 59.402 -0.820 1
1 580 . 9 1 1 A 47 47 GLU CB C 47 29.029 29.548 -0.519 1
1 582 . 9 1 1 A 47 47 GLU N N 47 117.916 119.217 -1.301 1
1 583 . 9 1 1 A 48 48 ALA H H 48 8.310 7.717 0.593 1
1 584 . 9 1 1 A 48 48 ALA HA H 48 3.761 4.034 -0.273 1
1 588 . 9 1 1 A 48 48 ALA C C 48 179.636 179.104 0.532 1
1 589 . 9 1 1 A 48 48 ALA CA C 48 55.769 54.749 1.020 1
1 590 . 9 1 1 A 48 48 ALA CB C 48 17.370 18.226 -0.856 1
1 591 . 9 1 1 A 48 48 ALA N N 48 123.600 122.257 1.343 1
1 592 . 9 1 1 A 49 49 LEU H H 49 8.724 7.688 1.036 1
1 593 . 9 1 1 A 49 49 LEU HA H 49 3.924 3.615 0.309 1
1 603 . 9 1 1 A 49 49 LEU C C 49 178.188 178.550 -0.362 1
1 604 . 9 1 1 A 49 49 LEU CA C 49 57.387 56.733 0.654 1
1 605 . 9 1 1 A 49 49 LEU CB C 49 41.780 41.993 -0.213 1
1 609 . 9 1 1 A 49 49 LEU N N 49 119.812 119.710 0.102 1
1 610 . 9 1 1 A 50 50 LYS H H 50 7.421 8.257 -0.836 1
1 611 . 9 1 1 A 50 50 LYS HA H 50 3.856 3.957 -0.101 1
1 620 . 9 1 1 A 50 50 LYS C C 50 177.592 178.549 -0.957 1
1 621 . 9 1 1 A 50 50 LYS CA C 50 59.345 59.398 -0.053 1
1 622 . 9 1 1 A 50 50 LYS CB C 50 32.757 31.883 0.874 1
1 626 . 9 1 1 A 50 50 LYS N N 50 115.568 118.954 -3.386 1
1 627 . 9 1 1 A 51 51 ARG H H 51 7.787 7.745 0.042 1
1 628 . 9 1 1 A 51 51 ARG HA H 51 4.356 4.366 -0.010 1
1 635 . 9 1 1 A 51 51 ARG C C 51 176.424 175.680 0.744 1
1 636 . 9 1 1 A 51 51 ARG CA C 51 55.690 56.863 -1.173 1
1 637 . 9 1 1 A 51 51 ARG CB C 51 30.227 29.825 0.402 1
1 640 . 9 1 1 A 51 51 ARG N N 51 115.686 115.325 0.361 1
1 641 . 9 1 1 A 52 52 HIS H H 52 8.159 7.590 0.569 1
1 642 . 9 1 1 A 52 52 HIS HA H 52 4.512 4.735 -0.223 1
1 646 . 9 1 1 A 52 52 HIS C C 52 175.409 175.274 0.135 1
1 647 . 9 1 1 A 52 52 HIS CA C 52 56.087 54.582 1.505 1
1 648 . 9 1 1 A 52 52 HIS CB C 52 32.904 30.755 2.149 1
1 650 . 9 1 1 A 52 52 HIS N N 52 125.025 119.513 5.512 1
1 651 . 9 1 1 A 53 53 PRO HA H 53 4.341 4.414 -0.073 1
1 658 . 9 1 1 A 53 53 PRO CA C 53 65.210 64.713 0.497 1
1 659 . 9 1 1 A 53 53 PRO CB C 53 31.791 31.965 -0.174 1
1 662 . 9 1 1 A 54 54 ASP H H 54 8.058 8.817 -0.759 1
1 663 . 9 1 1 A 54 54 ASP HA H 54 5.184 4.598 0.586 1
1 666 . 9 1 1 A 54 54 ASP C C 54 176.079 177.783 -1.704 1
1 667 . 9 1 1 A 54 54 ASP CA C 54 52.778 54.510 -1.732 1
1 668 . 9 1 1 A 54 54 ASP CB C 54 41.573 40.388 1.185 1
1 669 . 9 1 1 A 55 55 ALA H H 55 7.731 7.984 -0.253 1
1 670 . 9 1 1 A 55 55 ALA HA H 55 3.589 3.961 -0.372 1
1 674 . 9 1 1 A 55 55 ALA C C 55 178.550 179.649 -1.099 1
1 675 . 9 1 1 A 55 55 ALA CA C 55 57.024 55.286 1.738 1
1 676 . 9 1 1 A 55 55 ALA CB C 55 20.320 18.609 1.711 1
1 677 . 9 1 1 A 55 55 ALA N N 55 122.261 124.858 -2.597 1
1 678 . 9 1 1 A 56 56 THR H H 56 8.405 8.201 0.204 1
1 679 . 9 1 1 A 56 56 THR HA H 56 3.804 3.895 -0.091 1
1 684 . 9 1 1 A 56 56 THR C C 56 177.743 176.795 0.948 1
1 685 . 9 1 1 A 56 56 THR CA C 56 67.024 66.031 0.993 1
1 686 . 9 1 1 A 56 56 THR CB C 56 68.257 69.031 -0.774 1
1 688 . 9 1 1 A 56 56 THR N N 56 110.600 114.032 -3.432 1
1 689 . 9 1 1 A 57 57 SER H H 57 7.907 8.119 -0.212 1
1 690 . 9 1 1 A 57 57 SER HA H 57 4.251 4.203 0.048 1
1 693 . 9 1 1 A 57 57 SER C C 57 176.547 175.835 0.712 1
1 694 . 9 1 1 A 57 57 SER CA C 57 60.395 61.444 -1.049 1
1 695 . 9 1 1 A 57 57 SER CB C 57 62.766 62.547 0.219 1
1 696 . 9 1 1 A 57 57 SER N N 57 117.623 114.866 2.757 1
1 697 . 9 1 1 A 58 58 LYS H H 58 8.180 7.883 0.297 1
1 698 . 9 1 1 A 58 58 LYS HA H 58 3.687 4.198 -0.511 1
1 707 . 9 1 1 A 58 58 LYS C C 58 178.074 176.803 1.271 1
1 708 . 9 1 1 A 58 58 LYS CA C 58 58.090 57.455 0.635 1
1 709 . 9 1 1 A 58 58 LYS CB C 58 32.328 32.074 0.254 1
1 713 . 9 1 1 A 58 58 LYS N N 58 120.772 120.196 0.576 1
1 714 . 9 1 1 A 59 59 ILE H H 59 8.407 7.566 0.841 1
1 715 . 9 1 1 A 59 59 ILE HA H 59 3.336 4.168 -0.832 1
1 725 . 9 1 1 A 59 59 ILE C C 59 176.705 176.981 -0.276 1
1 726 . 9 1 1 A 59 59 ILE CA C 59 64.224 62.751 1.473 1
1 727 . 9 1 1 A 59 59 ILE CB C 59 38.989 38.633 0.356 1
1 731 . 9 1 1 A 59 59 ILE N N 59 119.024 116.890 2.134 1
1 732 . 9 1 1 A 60 60 GLY H H 60 7.360 7.941 -0.581 1
1 733 . 9 1 1 A 60 60 GLY HA2 H 60 3.884 3.899 -0.015 1
1 734 . 9 1 1 A 60 60 GLY HA3 H 60 3.614 3.902 -0.288 1
1 735 . 9 1 1 A 60 60 GLY C C 60 173.964 174.774 -0.810 1
1 736 . 9 1 1 A 60 60 GLY CA C 60 44.586 46.640 -2.054 1
1 737 . 9 1 1 A 60 60 GLY N N 60 106.081 109.754 -3.673 1
1 738 . 9 1 1 A 61 61 PRO HA H 61 4.486 4.424 0.062 1
1 745 . 9 1 1 A 61 61 PRO C C 61 175.603 176.522 -0.919 1
1 746 . 9 1 1 A 61 61 PRO CA C 61 63.473 63.961 -0.488 1
1 747 . 9 1 1 A 61 61 PRO CB C 61 31.981 32.065 -0.084 1
1 750 . 9 1 1 A 62 62 GLY H H 62 7.835 6.856 0.979 1
1 751 . 9 1 1 A 62 62 GLY HA2 H 62 4.378 4.029 0.349 1
1 752 . 9 1 1 A 62 62 GLY HA3 H 62 3.416 4.031 -0.615 1
1 753 . 9 1 1 A 62 62 GLY C C 62 172.596 171.876 0.720 1
1 754 . 9 1 1 A 62 62 GLY CA C 62 44.498 44.819 -0.321 1
1 755 . 9 1 1 A 62 62 GLY N N 62 110.214 106.851 3.363 1
1 756 . 9 1 1 A 63 63 VAL H H 63 8.646 8.424 0.222 1
1 757 . 9 1 1 A 63 63 VAL HA H 63 3.668 4.161 -0.493 1
1 765 . 9 1 1 A 63 63 VAL C C 63 175.808 175.808 0.000 1
1 766 . 9 1 1 A 63 63 VAL CA C 63 63.681 62.442 1.239 1
1 767 . 9 1 1 A 63 63 VAL CB C 63 32.863 31.668 1.195 1
1 770 . 9 1 1 A 63 63 VAL N N 63 122.735 120.891 1.844 1
1 771 . 9 1 1 A 64 64 ARG H H 64 9.524 8.770 0.754 1
1 772 . 9 1 1 A 64 64 ARG HA H 64 4.254 4.345 -0.091 1
1 779 . 9 1 1 A 64 64 ARG C C 64 175.574 175.826 -0.252 1
1 780 . 9 1 1 A 64 64 ARG CA C 64 57.310 57.480 -0.170 1
1 781 . 9 1 1 A 64 64 ARG CB C 64 31.928 31.333 0.595 1
1 784 . 9 1 1 A 64 64 ARG N N 64 129.782 129.568 0.214 1
1 785 . 9 1 1 A 65 65 ASN H H 65 8.089 7.298 0.791 1
1 786 . 9 1 1 A 65 65 ASN HA H 65 4.662 5.024 -0.362 1
1 791 . 9 1 1 A 65 65 ASN C C 65 171.753 172.149 -0.396 1
1 792 . 9 1 1 A 65 65 ASN CA C 65 53.279 52.154 1.125 1
1 793 . 9 1 1 A 65 65 ASN CB C 65 43.717 40.194 3.523 1
1 794 . 9 1 1 A 65 65 ASN N N 65 114.163 112.322 1.841 1
1 796 . 9 1 1 A 66 66 PHE H H 66 9.064 8.618 0.446 1
1 797 . 9 1 1 A 66 66 PHE HA H 66 5.738 5.547 0.191 1
1 805 . 9 1 1 A 66 66 PHE C C 66 174.834 174.108 0.726 1
1 806 . 9 1 1 A 66 66 PHE CA C 66 56.578 56.590 -0.012 1
1 807 . 9 1 1 A 66 66 PHE CB C 66 41.888 44.044 -2.156 1
1 813 . 9 1 1 A 66 66 PHE N N 66 114.774 116.100 -1.326 1
1 814 . 9 1 1 A 67 67 GLU H H 67 9.328 9.172 0.156 1
1 815 . 9 1 1 A 67 67 GLU HA H 67 5.307 5.157 0.150 1
1 820 . 9 1 1 A 67 67 GLU C C 67 174.999 174.970 0.029 1
1 821 . 9 1 1 A 67 67 GLU CA C 67 54.003 54.723 -0.720 1
1 822 . 9 1 1 A 67 67 GLU CB C 67 35.678 33.654 2.024 1
1 824 . 9 1 1 A 67 67 GLU N N 67 122.005 121.549 0.456 1
1 825 . 9 1 1 A 68 68 VAL H H 68 8.598 8.542 0.056 1
1 826 . 9 1 1 A 68 68 VAL HA H 68 4.859 4.783 0.076 1
1 834 . 9 1 1 A 68 68 VAL C C 68 175.361 175.936 -0.575 1
1 835 . 9 1 1 A 68 68 VAL CA C 68 62.102 61.623 0.479 1
1 836 . 9 1 1 A 68 68 VAL CB C 68 32.865 32.312 0.553 1
1 839 . 9 1 1 A 68 68 VAL N N 68 124.692 126.732 -2.040 1
1 840 . 9 1 1 A 69 69 ARG H H 69 8.896 8.523 0.373 1
1 841 . 9 1 1 A 69 69 ARG HA H 69 4.888 4.763 0.125 1
1 848 . 9 1 1 A 69 69 ARG C C 69 175.469 175.661 -0.192 1
1 849 . 9 1 1 A 69 69 ARG CA C 69 54.384 53.702 0.682 1
1 850 . 9 1 1 A 69 69 ARG CB C 69 34.979 34.122 0.857 1
1 853 . 9 1 1 A 69 69 ARG N N 69 123.599 126.677 -3.078 1
1 854 . 9 1 1 A 70 70 SER H H 70 8.758 8.726 0.032 1
1 855 . 9 1 1 A 70 70 SER HA H 70 4.511 4.931 -0.420 1
1 858 . 9 1 1 A 70 70 SER C C 70 173.488 174.007 -0.519 1
1 859 . 9 1 1 A 70 70 SER CA C 70 59.858 58.609 1.249 1
1 860 . 9 1 1 A 70 70 SER CB C 70 63.927 63.911 0.016 1
1 861 . 9 1 1 A 70 70 SER N N 70 116.239 116.601 -0.362 1
1 862 . 9 1 1 A 71 71 ALA H H 71 8.456 8.912 -0.456 1
1 863 . 9 1 1 A 71 71 ALA HA H 71 4.688 4.461 0.227 1
1 867 . 9 1 1 A 71 71 ALA C C 71 176.054 176.834 -0.780 1
1 868 . 9 1 1 A 71 71 ALA CA C 71 51.016 53.244 -2.228 1
1 869 . 9 1 1 A 71 71 ALA CB C 71 20.324 20.007 0.317 1
1 870 . 9 1 1 A 71 71 ALA N N 71 128.999 125.208 3.791 1
1 871 . 9 1 1 A 72 72 ASP H H 72 7.968 8.361 -0.393 1
1 872 . 9 1 1 A 72 72 ASP HA H 72 4.361 4.539 -0.178 1
1 875 . 9 1 1 A 72 72 ASP C C 72 176.444 176.857 -0.413 1
1 876 . 9 1 1 A 72 72 ASP CA C 72 54.732 53.135 1.597 1
1 877 . 9 1 1 A 72 72 ASP CB C 72 41.060 41.848 -0.788 1
1 878 . 9 1 1 A 72 72 ASP N N 72 118.176 118.206 -0.030 1
1 879 . 9 1 1 A 73 73 TYR H H 73 8.768 8.214 0.554 1
1 880 . 9 1 1 A 73 73 TYR HA H 73 4.309 4.162 0.147 1
1 887 . 9 1 1 A 73 73 TYR C C 73 176.601 177.448 -0.847 1
1 888 . 9 1 1 A 73 73 TYR CA C 73 58.799 60.166 -1.367 1
1 889 . 9 1 1 A 73 73 TYR CB C 73 36.239 37.715 -1.476 1
1 894 . 9 1 1 A 73 73 TYR N N 73 117.846 119.985 -2.139 1
1 895 . 9 1 1 A 74 74 GLY H H 74 8.533 7.965 0.568 1
1 896 . 9 1 1 A 74 74 GLY HA2 H 74 4.069 4.096 -0.027 1
1 897 . 9 1 1 A 74 74 GLY HA3 H 74 3.844 4.108 -0.264 1
1 898 . 9 1 1 A 74 74 GLY C C 74 175.060 174.085 0.975 1
1 899 . 9 1 1 A 74 74 GLY CA C 74 46.117 45.794 0.323 1
1 900 . 9 1 1 A 74 74 GLY N N 74 108.255 106.342 1.913 1
1 901 . 9 1 1 A 75 75 THR H H 75 7.534 7.542 -0.008 1
1 902 . 9 1 1 A 75 75 THR HA H 75 4.687 5.183 -0.496 1
1 907 . 9 1 1 A 75 75 THR C C 75 173.779 173.506 0.273 1
1 908 . 9 1 1 A 75 75 THR CA C 75 61.115 59.451 1.664 1
1 909 . 9 1 1 A 75 75 THR CB C 75 71.585 72.350 -0.765 1
1 911 . 9 1 1 A 75 75 THR N N 75 111.431 110.970 0.461 1
1 912 . 9 1 1 A 76 76 GLN H H 76 8.590 8.440 0.150 1
1 913 . 9 1 1 A 76 76 GLN HA H 76 5.238 5.168 0.070 1
1 920 . 9 1 1 A 76 76 GLN C C 76 173.605 174.697 -1.092 1
1 921 . 9 1 1 A 76 76 GLN CA C 76 54.556 54.267 0.289 1
1 922 . 9 1 1 A 76 76 GLN CB C 76 31.657 32.189 -0.532 1
1 924 . 9 1 1 A 76 76 GLN N N 76 117.495 119.211 -1.716 1
1 926 . 9 1 1 A 77 77 CYS H H 77 9.058 8.891 0.167 1
1 927 . 9 1 1 A 77 77 CYS HA H 77 4.780 5.023 -0.243 1
1 930 . 9 1 1 A 77 77 CYS C C 77 172.371 173.159 -0.788 1
1 931 . 9 1 1 A 77 77 CYS CA C 77 56.886 56.757 0.129 1
1 932 . 9 1 1 A 77 77 CYS CB C 77 31.492 31.159 0.333 1
1 933 . 9 1 1 A 77 77 CYS N N 77 114.572 117.188 -2.616 1
1 934 . 9 1 1 A 78 78 PHE H H 78 8.872 8.658 0.214 1
1 935 . 9 1 1 A 78 78 PHE HA H 78 5.419 5.350 0.069 1
1 943 . 9 1 1 A 78 78 PHE CA C 78 58.466 56.019 2.447 1
1 944 . 9 1 1 A 78 78 PHE CB C 78 42.360 40.216 2.144 1
1 950 . 9 1 1 A 78 78 PHE N N 78 120.396 120.940 -0.544 1
1 951 . 9 1 1 A 79 79 TRP H H 79 10.003 9.632 0.371 1
1 952 . 9 1 1 A 79 79 TRP HA H 79 4.907 5.216 -0.309 1
1 961 . 9 1 1 A 79 79 TRP CA C 79 57.535 56.062 1.473 1
1 962 . 9 1 1 A 79 79 TRP CB C 79 30.788 32.015 -1.227 1
1 968 . 9 1 1 A 79 79 TRP N N 79 120.993 122.647 -1.654 1
1 970 . 9 1 1 A 80 80 ILE H H 80 9.669 9.497 0.172 1
1 971 . 9 1 1 A 80 80 ILE HA H 80 3.773 4.333 -0.560 1
1 981 . 9 1 1 A 80 80 ILE C C 80 174.675 175.070 -0.395 1
1 982 . 9 1 1 A 80 80 ILE CA C 80 61.505 60.233 1.272 1
1 983 . 9 1 1 A 80 80 ILE CB C 80 40.765 38.573 2.192 1
1 987 . 9 1 1 A 80 80 ILE N N 80 122.205 124.000 -1.795 1
1 988 . 9 1 1 A 81 81 LEU H H 81 8.489 8.983 -0.494 1
1 989 . 9 1 1 A 81 81 LEU HA H 81 5.037 4.960 0.077 1
1 999 . 9 1 1 A 81 81 LEU C C 81 177.301 175.905 1.396 1
1 1000 . 9 1 1 A 81 81 LEU CA C 81 53.483 53.511 -0.028 1
1 1001 . 9 1 1 A 81 81 LEU CB C 81 40.344 42.696 -2.352 1
1 1005 . 9 1 1 A 81 81 LEU N N 81 127.849 129.205 -1.356 1
1 1006 . 9 1 1 A 82 82 ARG H H 82 8.980 8.616 0.364 1
1 1007 . 9 1 1 A 82 82 ARG HA H 82 5.127 4.512 0.615 1
1 1014 . 9 1 1 A 82 82 ARG C C 82 179.527 177.294 2.233 1
1 1015 . 9 1 1 A 82 82 ARG CA C 82 57.410 54.647 2.763 1
1 1016 . 9 1 1 A 82 82 ARG CB C 82 31.995 32.395 -0.400 1
1 1019 . 9 1 1 A 82 82 ARG N N 82 121.829 125.580 -3.751 1
1 1020 . 9 1 1 A 83 83 THR H H 83 8.427 8.944 -0.517 1
1 1021 . 9 1 1 A 83 83 THR HA H 83 3.823 3.925 -0.102 1
1 1026 . 9 1 1 A 83 83 THR C C 83 174.540 176.232 -1.692 1
1 1027 . 9 1 1 A 83 83 THR CA C 83 64.441 65.673 -1.232 1
1 1028 . 9 1 1 A 83 83 THR CB C 83 67.987 68.090 -0.103 1
1 1030 . 9 1 1 A 83 83 THR N N 83 111.631 117.586 -5.955 1
1 1031 . 9 1 1 A 84 84 ASP H H 84 7.431 7.913 -0.482 1
1 1032 . 9 1 1 A 84 84 ASP HA H 84 4.706 4.520 0.186 1
1 1035 . 9 1 1 A 84 84 ASP C C 84 177.092 176.177 0.915 1
1 1036 . 9 1 1 A 84 84 ASP CA C 84 52.983 54.912 -1.929 1
1 1037 . 9 1 1 A 84 84 ASP CB C 84 40.502 41.176 -0.674 1
1 1038 . 9 1 1 A 84 84 ASP N N 84 117.630 121.063 -3.433 1
1 1039 . 9 1 1 A 85 85 GLY H H 85 7.924 8.020 -0.096 1
1 1040 . 9 1 1 A 85 85 GLY HA2 H 85 3.741 4.017 -0.276 1
1 1041 . 9 1 1 A 85 85 GLY HA3 H 85 4.364 4.019 0.345 1
1 1042 . 9 1 1 A 85 85 GLY C C 85 174.007 174.453 -0.446 1
1 1043 . 9 1 1 A 85 85 GLY CA C 85 45.370 45.147 0.223 1
1 1044 . 9 1 1 A 85 85 GLY N N 85 108.078 108.063 0.015 1
1 1045 . 9 1 1 A 86 86 SER H H 86 8.009 8.028 -0.019 1
1 1046 . 9 1 1 A 86 86 SER HA H 86 4.563 4.513 0.050 1
1 1049 . 9 1 1 A 86 86 SER C C 86 172.835 173.996 -1.161 1
1 1050 . 9 1 1 A 86 86 SER CA C 86 58.731 58.678 0.053 1
1 1051 . 9 1 1 A 86 86 SER CB C 86 64.803 64.984 -0.181 1
1 1052 . 9 1 1 A 86 86 SER N N 86 117.029 115.744 1.285 1
1 1053 . 9 1 1 A 87 87 GLU H H 87 8.593 9.150 -0.557 1
1 1054 . 9 1 1 A 87 87 GLU HA H 87 5.921 5.436 0.485 1
1 1059 . 9 1 1 A 87 87 GLU C C 87 175.873 175.020 0.853 1
1 1060 . 9 1 1 A 87 87 GLU CA C 87 54.343 54.466 -0.123 1
1 1061 . 9 1 1 A 87 87 GLU CB C 87 33.925 33.725 0.200 1
1 1063 . 9 1 1 A 87 87 GLU N N 87 116.585 119.228 -2.643 1
1 1064 . 9 1 1 A 88 88 GLU HA H 88 4.496 4.937 -0.441 1
1 1069 . 9 1 1 A 88 88 GLU CA C 88 55.840 54.349 1.491 1
1 1070 . 9 1 1 A 88 88 GLU CB C 88 34.310 34.006 0.304 1
1 1072 . 9 1 1 A 89 89 ARG H H 89 8.013 8.801 -0.788 1
1 1073 . 9 1 1 A 89 89 ARG HA H 89 3.184 5.068 -1.884 1
1 1080 . 9 1 1 A 89 89 ARG CA C 89 56.576 53.661 2.915 1
1 1081 . 9 1 1 A 89 89 ARG CB C 89 30.462 34.178 -3.716 1
1 1084 . 9 1 1 A 89 89 ARG N N 89 127.945 117.924 10.021 1
1 1085 . 9 1 1 A 90 90 PHE HA H 90 5.021 5.192 -0.171 1
1 1093 . 9 1 1 A 90 90 PHE CA C 90 55.089 56.230 -1.141 1
1 1094 . 9 1 1 A 90 90 PHE CB C 90 40.446 41.852 -1.406 1
1 1100 . 9 1 1 A 91 91 SER HA H 91 4.639 4.365 0.274 1
1 1103 . 9 1 1 A 91 91 SER CA C 91 56.242 58.539 -2.297 1
1 1104 . 9 1 1 A 91 91 SER CB C 91 62.621 62.072 0.549 1
1 1105 . 9 1 1 A 92 92 TYR HA H 92 4.268 4.364 -0.096 1
1 1112 . 9 1 1 A 92 92 TYR C C 92 176.450 177.295 -0.845 1
1 1113 . 9 1 1 A 92 92 TYR CA C 92 59.575 60.999 -1.424 1
1 1114 . 9 1 1 A 92 92 TYR CB C 92 37.283 37.838 -0.555 1
1 1119 . 9 1 1 A 93 93 LYS H H 93 7.405 7.812 -0.407 1
1 1120 . 9 1 1 A 93 93 LYS HA H 93 3.749 4.010 -0.261 1
1 1129 . 9 1 1 A 93 93 LYS C C 93 177.715 177.433 0.282 1
1 1130 . 9 1 1 A 93 93 LYS CA C 93 58.446 58.321 0.125 1
1 1131 . 9 1 1 A 93 93 LYS CB C 93 31.822 31.323 0.499 1
1 1135 . 9 1 1 A 93 93 LYS N N 93 120.689 119.298 1.391 1
1 1136 . 9 1 1 A 94 94 LYS H H 94 7.405 7.476 -0.071 1
1 1137 . 9 1 1 A 94 94 LYS HA H 94 4.079 4.236 -0.157 1
1 1146 . 9 1 1 A 94 94 LYS C C 94 176.709 176.890 -0.181 1
1 1147 . 9 1 1 A 94 94 LYS CA C 94 56.479 56.797 -0.318 1
1 1148 . 9 1 1 A 94 94 LYS CB C 94 32.760 32.660 0.100 1
1 1152 . 9 1 1 A 94 94 LYS N N 94 115.712 116.923 -1.211 1
1 1153 . 9 1 1 A 95 95 CYS H H 95 7.537 7.396 0.141 1
1 1154 . 9 1 1 A 95 95 CYS HA H 95 3.937 4.574 -0.637 1
1 1157 . 9 1 1 A 95 95 CYS C C 95 173.487 175.170 -1.683 1
1 1158 . 9 1 1 A 95 95 CYS CA C 95 61.795 57.579 4.216 1
1 1159 . 9 1 1 A 95 95 CYS CB C 95 27.546 27.386 0.160 1
1 1160 . 9 1 1 A 95 95 CYS N N 95 115.586 120.744 -5.158 1
1 1161 . 9 1 1 A 96 96 VAL HA H 96 4.154 4.161 -0.007 1
1 1169 . 9 1 1 A 96 96 VAL C C 96 175.216 175.819 -0.603 1
1 1170 . 9 1 1 A 96 96 VAL CA C 96 61.916 63.561 -1.645 1
1 1171 . 9 1 1 A 96 96 VAL CB C 96 31.695 32.665 -0.970 1
1 1174 . 9 1 1 A 97 97 LEU H H 97 8.002 7.594 0.408 1
1 1175 . 9 1 1 A 97 97 LEU HA H 97 4.316 4.844 -0.528 1
1 1185 . 9 1 1 A 97 97 LEU C C 97 176.168 174.369 1.799 1
1 1186 . 9 1 1 A 97 97 LEU CA C 97 54.770 53.673 1.097 1
1 1187 . 9 1 1 A 97 97 LEU CB C 97 42.558 46.940 -4.382 1
1 1191 . 9 1 1 A 97 97 LEU N N 97 124.364 118.727 5.637 1
1 1192 . 9 1 1 A 98 98 GLU H H 98 8.345 9.111 -0.766 1
1 1193 . 9 1 1 A 98 98 GLU HA H 98 4.301 4.912 -0.611 1
1 1198 . 9 1 1 A 98 98 GLU C C 98 175.732 175.972 -0.240 1
1 1199 . 9 1 1 A 98 98 GLU CA C 98 55.988 55.292 0.696 1
1 1200 . 9 1 1 A 98 98 GLU CB C 98 30.989 32.753 -1.764 1
1 1 . 10 1 1 A 2 2 ALA HA H 2 4.102 4.471 -0.369 1
1 5 . 10 1 1 A 2 2 ALA CA C 2 51.775 51.907 -0.132 1
1 6 . 10 1 1 A 2 2 ALA CB C 2 19.665 17.953 1.712 1
1 7 . 10 1 1 A 3 3 LYS HA H 3 4.329 4.644 -0.315 1
1 15 . 10 1 1 A 3 3 LYS C C 3 176.086 174.261 1.825 1
1 16 . 10 1 1 A 3 3 LYS CA C 3 56.354 55.893 0.461 1
1 17 . 10 1 1 A 3 3 LYS CB C 3 33.325 36.625 -3.300 1
1 21 . 10 1 1 A 4 4 ALA H H 4 8.515 8.550 -0.035 1
1 22 . 10 1 1 A 4 4 ALA HA H 4 4.356 4.648 -0.292 1
1 26 . 10 1 1 A 4 4 ALA C C 4 177.307 176.909 0.398 1
1 27 . 10 1 1 A 4 4 ALA CA C 4 52.316 51.594 0.722 1
1 28 . 10 1 1 A 4 4 ALA CB C 4 19.421 19.479 -0.058 1
1 29 . 10 1 1 A 4 4 ALA N N 4 126.866 127.471 -0.605 1
1 30 . 10 1 1 A 5 5 GLN H H 5 8.521 8.407 0.114 1
1 31 . 10 1 1 A 5 5 GLN HA H 5 4.652 4.404 0.248 1
1 38 . 10 1 1 A 5 5 GLN C C 5 173.576 175.506 -1.930 1
1 39 . 10 1 1 A 5 5 GLN CA C 5 53.470 54.762 -1.292 1
1 40 . 10 1 1 A 5 5 GLN CB C 5 29.457 28.896 0.561 1
1 42 . 10 1 1 A 5 5 GLN N N 5 122.182 122.749 -0.567 1
1 44 . 10 1 1 A 6 6 PRO HA H 6 4.587 4.632 -0.045 1
1 51 . 10 1 1 A 6 6 PRO C C 6 176.481 176.145 0.336 1
1 52 . 10 1 1 A 6 6 PRO CA C 6 63.028 62.675 0.353 1
1 53 . 10 1 1 A 6 6 PRO CB C 6 32.905 32.188 0.717 1
1 56 . 10 1 1 A 7 7 ILE H H 7 8.581 8.402 0.179 1
1 57 . 10 1 1 A 7 7 ILE HA H 7 4.245 4.414 -0.169 1
1 67 . 10 1 1 A 7 7 ILE C C 7 174.129 174.688 -0.559 1
1 68 . 10 1 1 A 7 7 ILE CA C 7 60.613 60.670 -0.057 1
1 69 . 10 1 1 A 7 7 ILE CB C 7 40.266 37.095 3.171 1
1 73 . 10 1 1 A 7 7 ILE N N 7 120.418 123.167 -2.749 1
1 74 . 10 1 1 A 8 8 GLU H H 8 8.572 8.954 -0.382 1
1 75 . 10 1 1 A 8 8 GLU HA H 8 5.363 5.219 0.144 1
1 80 . 10 1 1 A 8 8 GLU C C 8 175.806 175.399 0.407 1
1 81 . 10 1 1 A 8 8 GLU CA C 8 54.749 55.067 -0.318 1
1 82 . 10 1 1 A 8 8 GLU CB C 8 31.505 32.023 -0.518 1
1 84 . 10 1 1 A 8 8 GLU N N 8 128.440 128.544 -0.104 1
1 85 . 10 1 1 A 9 9 ILE H H 9 8.591 8.829 -0.238 1
1 86 . 10 1 1 A 9 9 ILE HA H 9 4.111 4.400 -0.289 1
1 96 . 10 1 1 A 9 9 ILE C C 9 174.977 176.070 -1.093 1
1 97 . 10 1 1 A 9 9 ILE CA C 9 60.967 60.165 0.802 1
1 98 . 10 1 1 A 9 9 ILE CB C 9 41.559 40.013 1.546 1
1 102 . 10 1 1 A 9 9 ILE N N 9 123.957 127.310 -3.353 1
1 103 . 10 1 1 A 10 10 ALA H H 10 9.398 9.124 0.274 1
1 104 . 10 1 1 A 10 10 ALA HA H 10 4.072 4.045 0.027 1
1 108 . 10 1 1 A 10 10 ALA C C 10 177.026 176.992 0.034 1
1 109 . 10 1 1 A 10 10 ALA CA C 10 52.646 53.342 -0.696 1
1 110 . 10 1 1 A 10 10 ALA CB C 10 18.121 18.075 0.046 1
1 111 . 10 1 1 A 10 10 ALA N N 10 130.074 131.873 -1.799 1
1 112 . 10 1 1 A 11 11 GLY H H 11 8.958 8.450 0.508 1
1 113 . 10 1 1 A 11 11 GLY HA2 H 11 4.046 3.670 0.376 1
1 114 . 10 1 1 A 11 11 GLY HA3 H 11 3.570 3.730 -0.160 1
1 115 . 10 1 1 A 11 11 GLY C C 11 174.139 173.778 0.361 1
1 116 . 10 1 1 A 11 11 GLY CA C 11 45.467 45.230 0.237 1
1 117 . 10 1 1 A 11 11 GLY N N 11 105.460 103.240 2.220 1
1 118 . 10 1 1 A 12 12 HIS H H 12 8.189 7.978 0.211 1
1 119 . 10 1 1 A 12 12 HIS HA H 12 4.325 4.236 0.089 1
1 124 . 10 1 1 A 12 12 HIS C C 12 173.060 174.096 -1.036 1
1 125 . 10 1 1 A 12 12 HIS CA C 12 54.628 55.717 -1.089 1
1 126 . 10 1 1 A 12 12 HIS CB C 12 30.432 29.779 0.653 1
1 129 . 10 1 1 A 12 12 HIS N N 12 120.216 118.844 1.372 1
1 130 . 10 1 1 A 13 13 GLU H H 13 8.338 8.339 -0.001 1
1 131 . 10 1 1 A 13 13 GLU HA H 13 4.659 4.348 0.311 1
1 136 . 10 1 1 A 13 13 GLU C C 13 175.231 175.580 -0.349 1
1 137 . 10 1 1 A 13 13 GLU CA C 13 55.147 55.965 -0.818 1
1 138 . 10 1 1 A 13 13 GLU CB C 13 31.218 30.082 1.136 1
1 140 . 10 1 1 A 13 13 GLU N N 13 122.925 123.852 -0.927 1
1 141 . 10 1 1 A 14 14 PHE H H 14 9.117 8.998 0.119 1
1 142 . 10 1 1 A 14 14 PHE HA H 14 4.941 4.921 0.020 1
1 150 . 10 1 1 A 14 14 PHE C C 14 175.179 176.114 -0.935 1
1 151 . 10 1 1 A 14 14 PHE CA C 14 56.302 56.607 -0.305 1
1 152 . 10 1 1 A 14 14 PHE CB C 14 41.499 42.011 -0.512 1
1 158 . 10 1 1 A 14 14 PHE N N 14 123.141 120.425 2.716 1
1 159 . 10 1 1 A 15 15 ALA H H 15 9.393 8.890 0.503 1
1 160 . 10 1 1 A 15 15 ALA HA H 15 4.130 4.261 -0.131 1
1 164 . 10 1 1 A 15 15 ALA C C 15 177.675 177.474 0.201 1
1 165 . 10 1 1 A 15 15 ALA CA C 15 54.880 55.046 -0.166 1
1 166 . 10 1 1 A 15 15 ALA CB C 15 18.986 19.445 -0.459 1
1 167 . 10 1 1 A 15 15 ALA N N 15 126.102 125.584 0.518 1
1 168 . 10 1 1 A 16 16 ARG H H 16 7.756 7.727 0.029 1
1 169 . 10 1 1 A 16 16 ARG HA H 16 4.809 4.724 0.085 1
1 176 . 10 1 1 A 16 16 ARG C C 16 177.344 176.276 1.068 1
1 177 . 10 1 1 A 16 16 ARG CA C 16 53.409 54.135 -0.726 1
1 178 . 10 1 1 A 16 16 ARG CB C 16 33.323 32.692 0.631 1
1 181 . 10 1 1 A 16 16 ARG N N 16 110.189 113.759 -3.570 1
1 182 . 10 1 1 A 17 17 LYS H H 17 9.303 8.806 0.497 1
1 183 . 10 1 1 A 17 17 LYS HA H 17 3.742 3.926 -0.184 1
1 192 . 10 1 1 A 17 17 LYS C C 17 178.667 177.991 0.676 1
1 193 . 10 1 1 A 17 17 LYS CA C 17 60.663 59.574 1.089 1
1 194 . 10 1 1 A 17 17 LYS CB C 17 32.005 31.974 0.031 1
1 198 . 10 1 1 A 17 17 LYS N N 17 125.242 119.989 5.253 1
1 199 . 10 1 1 A 18 18 ALA H H 18 8.777 8.207 0.570 1
1 200 . 10 1 1 A 18 18 ALA HA H 18 4.046 4.047 -0.001 1
1 204 . 10 1 1 A 18 18 ALA C C 18 180.134 179.660 0.474 1
1 205 . 10 1 1 A 18 18 ALA CA C 18 55.181 54.965 0.216 1
1 206 . 10 1 1 A 18 18 ALA CB C 18 18.633 18.253 0.380 1
1 207 . 10 1 1 A 18 18 ALA N N 18 118.670 121.118 -2.448 1
1 208 . 10 1 1 A 19 19 ASP H H 19 7.454 8.021 -0.567 1
1 209 . 10 1 1 A 19 19 ASP HA H 19 4.586 4.403 0.183 1
1 212 . 10 1 1 A 19 19 ASP C C 19 178.469 178.221 0.248 1
1 213 . 10 1 1 A 19 19 ASP CA C 19 57.082 56.919 0.163 1
1 214 . 10 1 1 A 19 19 ASP CB C 19 41.304 40.769 0.535 1
1 215 . 10 1 1 A 19 19 ASP N N 19 117.020 119.005 -1.985 1
1 216 . 10 1 1 A 20 20 ALA H H 20 7.123 7.806 -0.683 1
1 217 . 10 1 1 A 20 20 ALA HA H 20 2.604 3.361 -0.757 1
1 221 . 10 1 1 A 20 20 ALA C C 20 178.706 179.961 -1.255 1
1 222 . 10 1 1 A 20 20 ALA CA C 20 54.453 54.711 -0.258 1
1 223 . 10 1 1 A 20 20 ALA CB C 20 18.199 17.786 0.413 1
1 224 . 10 1 1 A 20 20 ALA N N 20 124.691 121.961 2.730 1
1 225 . 10 1 1 A 21 21 LEU H H 21 7.871 7.985 -0.114 1
1 226 . 10 1 1 A 21 21 LEU HA H 21 4.008 4.102 -0.094 1
1 236 . 10 1 1 A 21 21 LEU C C 21 179.041 178.927 0.114 1
1 237 . 10 1 1 A 21 21 LEU CA C 21 58.398 57.748 0.650 1
1 238 . 10 1 1 A 21 21 LEU CB C 21 41.382 41.597 -0.215 1
1 242 . 10 1 1 A 21 21 LEU N N 21 116.889 118.850 -1.961 1
1 243 . 10 1 1 A 22 22 ALA H H 22 7.972 8.248 -0.276 1
1 244 . 10 1 1 A 22 22 ALA HA H 22 4.158 4.076 0.082 1
1 248 . 10 1 1 A 22 22 ALA C C 22 179.288 179.307 -0.019 1
1 249 . 10 1 1 A 22 22 ALA CA C 22 55.180 55.023 0.157 1
1 250 . 10 1 1 A 22 22 ALA CB C 22 18.013 18.485 -0.472 1
1 251 . 10 1 1 A 22 22 ALA N N 22 121.219 121.065 0.154 1
1 252 . 10 1 1 A 23 23 PHE H H 23 7.546 8.492 -0.946 1
1 253 . 10 1 1 A 23 23 PHE HA H 23 4.081 3.955 0.126 1
1 261 . 10 1 1 A 23 23 PHE C C 23 178.515 176.520 1.995 1
1 262 . 10 1 1 A 23 23 PHE CA C 23 61.520 61.320 0.200 1
1 263 . 10 1 1 A 23 23 PHE CB C 23 40.296 39.308 0.988 1
1 269 . 10 1 1 A 23 23 PHE N N 23 119.034 119.380 -0.346 1
1 270 . 10 1 1 A 24 24 MET H H 24 7.595 8.219 -0.624 1
1 271 . 10 1 1 A 24 24 MET HA H 24 3.768 4.226 -0.458 1
1 279 . 10 1 1 A 24 24 MET C C 24 176.037 178.315 -2.278 1
1 280 . 10 1 1 A 24 24 MET CA C 24 59.901 58.789 1.112 1
1 281 . 10 1 1 A 24 24 MET CB C 24 34.008 32.112 1.896 1
1 284 . 10 1 1 A 24 24 MET N N 24 118.377 116.684 1.693 1
1 285 . 10 1 1 A 25 25 LYS H H 25 8.131 7.985 0.146 1
1 286 . 10 1 1 A 25 25 LYS HA H 25 3.747 4.414 -0.667 1
1 295 . 10 1 1 A 25 25 LYS C C 25 178.865 178.571 0.294 1
1 296 . 10 1 1 A 25 25 LYS CA C 25 59.994 59.508 0.486 1
1 297 . 10 1 1 A 25 25 LYS CB C 25 32.365 32.414 -0.049 1
1 301 . 10 1 1 A 25 25 LYS N N 25 121.901 120.638 1.263 1
1 302 . 10 1 1 A 26 26 VAL H H 26 7.986 8.223 -0.237 1
1 303 . 10 1 1 A 26 26 VAL HA H 26 3.515 3.518 -0.003 1
1 311 . 10 1 1 A 26 26 VAL C C 26 178.654 177.755 0.899 1
1 312 . 10 1 1 A 26 26 VAL CA C 26 66.337 66.414 -0.077 1
1 313 . 10 1 1 A 26 26 VAL CB C 26 31.302 31.492 -0.190 1
1 316 . 10 1 1 A 26 26 VAL N N 26 119.393 119.293 0.100 1
1 317 . 10 1 1 A 27 27 MET H H 27 7.232 8.318 -1.086 1
1 318 . 10 1 1 A 27 27 MET HA H 27 3.586 4.030 -0.444 1
1 326 . 10 1 1 A 27 27 MET C C 27 177.564 178.458 -0.894 1
1 327 . 10 1 1 A 27 27 MET CA C 27 59.113 58.398 0.715 1
1 328 . 10 1 1 A 27 27 MET CB C 27 34.025 31.951 2.074 1
1 331 . 10 1 1 A 27 27 MET N N 27 119.647 119.220 0.427 1
1 332 . 10 1 1 A 28 28 LEU H H 28 8.201 7.927 0.274 1
1 333 . 10 1 1 A 28 28 LEU HA H 28 3.733 3.956 -0.223 1
1 343 . 10 1 1 A 28 28 LEU C C 28 178.075 178.853 -0.778 1
1 344 . 10 1 1 A 28 28 LEU CA C 28 57.980 58.091 -0.111 1
1 345 . 10 1 1 A 28 28 LEU CB C 28 41.151 41.431 -0.280 1
1 349 . 10 1 1 A 28 28 LEU N N 28 118.420 123.480 -5.060 1
1 350 . 10 1 1 A 29 29 ASN H H 29 7.579 8.237 -0.658 1
1 351 . 10 1 1 A 29 29 ASN HA H 29 4.512 5.081 -0.569 1
1 356 . 10 1 1 A 29 29 ASN C C 29 176.087 177.906 -1.819 1
1 357 . 10 1 1 A 29 29 ASN CA C 29 54.286 55.732 -1.446 1
1 358 . 10 1 1 A 29 29 ASN CB C 29 38.984 38.325 0.659 1
1 359 . 10 1 1 A 29 29 ASN N N 29 112.254 116.854 -4.600 1
1 361 . 10 1 1 A 30 30 ARG H H 30 7.621 7.893 -0.272 1
1 362 . 10 1 1 A 30 30 ARG HA H 30 4.169 3.972 0.197 1
1 369 . 10 1 1 A 30 30 ARG C C 30 175.926 176.432 -0.506 1
1 370 . 10 1 1 A 30 30 ARG CA C 30 57.482 58.465 -0.983 1
1 371 . 10 1 1 A 30 30 ARG CB C 30 30.404 30.473 -0.069 1
1 374 . 10 1 1 A 30 30 ARG N N 30 118.878 119.759 -0.881 1
1 375 . 10 1 1 A 31 31 TYR H H 31 7.287 7.521 -0.234 1
1 376 . 10 1 1 A 31 31 TYR HA H 31 4.690 4.646 0.044 1
1 383 . 10 1 1 A 31 31 TYR C C 31 174.348 175.924 -1.576 1
1 384 . 10 1 1 A 31 31 TYR CA C 31 58.118 58.219 -0.101 1
1 385 . 10 1 1 A 31 31 TYR CB C 31 43.045 40.054 2.991 1
1 390 . 10 1 1 A 31 31 TYR N N 31 118.414 117.355 1.059 1
1 391 . 10 1 1 A 32 32 ARG H H 32 9.314 8.611 0.703 1
1 392 . 10 1 1 A 32 32 ARG HA H 32 4.913 4.693 0.220 1
1 399 . 10 1 1 A 32 32 ARG C C 32 173.525 175.671 -2.146 1
1 400 . 10 1 1 A 32 32 ARG CA C 32 52.775 54.317 -1.542 1
1 401 . 10 1 1 A 32 32 ARG CB C 32 30.292 29.727 0.565 1
1 404 . 10 1 1 A 32 32 ARG N N 32 121.876 121.754 0.122 1
1 405 . 10 1 1 A 33 33 PRO HA H 33 3.870 4.598 -0.728 1
1 412 . 10 1 1 A 33 33 PRO C C 33 177.517 176.516 1.001 1
1 413 . 10 1 1 A 33 33 PRO CA C 33 64.332 62.849 1.483 1
1 414 . 10 1 1 A 33 33 PRO CB C 33 31.655 29.702 1.953 1
1 417 . 10 1 1 A 34 34 GLY H H 34 9.584 7.862 1.722 1
1 418 . 10 1 1 A 34 34 GLY HA2 H 34 4.422 4.085 0.337 1
1 419 . 10 1 1 A 34 34 GLY HA3 H 34 3.725 4.101 -0.376 1
1 420 . 10 1 1 A 34 34 GLY C C 34 174.605 173.453 1.152 1
1 421 . 10 1 1 A 34 34 GLY CA C 34 44.745 45.455 -0.710 1
1 422 . 10 1 1 A 34 34 GLY N N 34 115.669 108.955 6.714 1
1 423 . 10 1 1 A 35 35 ASP H H 35 8.252 7.595 0.657 1
1 424 . 10 1 1 A 35 35 ASP HA H 35 4.691 5.061 -0.370 1
1 427 . 10 1 1 A 35 35 ASP C C 35 175.279 175.386 -0.107 1
1 428 . 10 1 1 A 35 35 ASP CA C 35 55.195 53.135 2.060 1
1 429 . 10 1 1 A 35 35 ASP CB C 35 42.301 43.507 -1.206 1
1 430 . 10 1 1 A 35 35 ASP N N 35 122.076 119.959 2.117 1
1 431 . 10 1 1 A 36 36 ILE H H 36 8.194 8.717 -0.523 1
1 432 . 10 1 1 A 36 36 ILE HA H 36 4.546 4.563 -0.017 1
1 442 . 10 1 1 A 36 36 ILE C C 36 176.709 176.335 0.374 1
1 443 . 10 1 1 A 36 36 ILE CA C 36 59.572 60.311 -0.739 1
1 444 . 10 1 1 A 36 36 ILE CB C 36 37.870 39.230 -1.360 1
1 448 . 10 1 1 A 36 36 ILE N N 36 120.260 120.944 -0.684 1
1 449 . 10 1 1 A 37 37 VAL H H 37 7.963 8.636 -0.673 1
1 450 . 10 1 1 A 37 37 VAL HA H 37 3.671 3.495 0.176 1
1 458 . 10 1 1 A 37 37 VAL C C 37 176.530 176.323 0.207 1
1 459 . 10 1 1 A 37 37 VAL CA C 37 62.969 62.867 0.102 1
1 460 . 10 1 1 A 37 37 VAL CB C 37 32.201 32.053 0.148 1
1 463 . 10 1 1 A 37 37 VAL N N 37 126.533 127.741 -1.208 1
1 464 . 10 1 1 A 38 38 SER H H 38 8.852 8.760 0.092 1
1 465 . 10 1 1 A 38 38 SER HA H 38 4.600 4.562 0.038 1
1 468 . 10 1 1 A 38 38 SER C C 38 174.950 175.696 -0.746 1
1 469 . 10 1 1 A 38 38 SER CA C 38 58.147 59.209 -1.062 1
1 470 . 10 1 1 A 38 38 SER CB C 38 65.224 64.226 0.998 1
1 471 . 10 1 1 A 38 38 SER N N 38 122.752 121.321 1.431 1
1 472 . 10 1 1 A 39 39 THR H H 39 8.870 8.875 -0.005 1
1 473 . 10 1 1 A 39 39 THR HA H 39 4.153 4.059 0.094 1
1 478 . 10 1 1 A 39 39 THR C C 39 177.855 176.135 1.720 1
1 479 . 10 1 1 A 39 39 THR CA C 39 66.299 66.972 -0.673 1
1 480 . 10 1 1 A 39 39 THR CB C 39 68.559 68.834 -0.275 1
1 482 . 10 1 1 A 39 39 THR N N 39 116.391 118.769 -2.378 1
1 483 . 10 1 1 A 40 40 VAL H H 40 8.018 8.230 -0.212 1
1 484 . 10 1 1 A 40 40 VAL HA H 40 4.028 3.667 0.361 1
1 492 . 10 1 1 A 40 40 VAL C C 40 178.339 177.768 0.571 1
1 493 . 10 1 1 A 40 40 VAL CA C 40 65.776 66.897 -1.121 1
1 494 . 10 1 1 A 40 40 VAL CB C 40 32.139 31.575 0.564 1
1 497 . 10 1 1 A 40 40 VAL N N 40 121.035 121.726 -0.691 1
1 498 . 10 1 1 A 41 41 ASP H H 41 7.610 8.856 -1.246 1
1 499 . 10 1 1 A 41 41 ASP HA H 41 4.570 4.483 0.087 1
1 502 . 10 1 1 A 41 41 ASP C C 41 178.746 180.051 -1.305 1
1 503 . 10 1 1 A 41 41 ASP CA C 41 57.492 57.160 0.332 1
1 504 . 10 1 1 A 41 41 ASP CB C 41 39.740 40.203 -0.463 1
1 505 . 10 1 1 A 41 41 ASP N N 41 124.108 119.818 4.290 1
1 506 . 10 1 1 A 42 42 GLY H H 42 9.363 8.857 0.506 1
1 507 . 10 1 1 A 42 42 GLY HA2 H 42 4.186 3.716 0.470 1
1 508 . 10 1 1 A 42 42 GLY HA3 H 42 3.584 3.929 -0.345 1
1 509 . 10 1 1 A 42 42 GLY C C 42 175.329 176.613 -1.284 1
1 510 . 10 1 1 A 42 42 GLY CA C 42 46.944 47.173 -0.229 1
1 511 . 10 1 1 A 42 42 GLY N N 42 109.572 108.941 0.631 1
1 512 . 10 1 1 A 43 43 ALA H H 43 7.949 8.185 -0.236 1
1 513 . 10 1 1 A 43 43 ALA HA H 43 4.240 4.075 0.165 1
1 517 . 10 1 1 A 43 43 ALA C C 43 180.375 179.841 0.534 1
1 518 . 10 1 1 A 43 43 ALA CA C 43 54.897 54.795 0.102 1
1 519 . 10 1 1 A 43 43 ALA CB C 43 17.895 18.347 -0.452 1
1 520 . 10 1 1 A 43 43 ALA N N 43 123.561 124.715 -1.154 1
1 521 . 10 1 1 A 44 44 PHE H H 44 7.337 7.801 -0.464 1
1 522 . 10 1 1 A 44 44 PHE HA H 44 3.957 4.365 -0.408 1
1 530 . 10 1 1 A 44 44 PHE C C 44 177.252 176.710 0.542 1
1 531 . 10 1 1 A 44 44 PHE CA C 44 61.508 61.621 -0.113 1
1 532 . 10 1 1 A 44 44 PHE CB C 44 38.993 39.269 -0.276 1
1 538 . 10 1 1 A 44 44 PHE N N 44 118.542 120.612 -2.070 1
1 539 . 10 1 1 A 45 45 LEU H H 45 8.301 8.051 0.250 1
1 540 . 10 1 1 A 45 45 LEU HA H 45 3.741 3.664 0.077 1
1 550 . 10 1 1 A 45 45 LEU C C 45 178.847 178.822 0.025 1
1 551 . 10 1 1 A 45 45 LEU CA C 45 57.643 57.718 -0.075 1
1 552 . 10 1 1 A 45 45 LEU CB C 45 41.274 41.026 0.248 1
1 556 . 10 1 1 A 45 45 LEU N N 45 119.345 119.749 -0.404 1
1 557 . 10 1 1 A 46 46 VAL H H 46 8.562 8.273 0.289 1
1 558 . 10 1 1 A 46 46 VAL HA H 46 3.759 3.535 0.224 1
1 566 . 10 1 1 A 46 46 VAL C C 46 177.077 177.384 -0.307 1
1 567 . 10 1 1 A 46 46 VAL CA C 46 67.081 67.044 0.037 1
1 568 . 10 1 1 A 46 46 VAL CB C 46 31.639 31.227 0.412 1
1 571 . 10 1 1 A 46 46 VAL N N 46 118.458 119.015 -0.557 1
1 572 . 10 1 1 A 47 47 GLU H H 47 6.896 8.048 -1.152 1
1 573 . 10 1 1 A 47 47 GLU HA H 47 4.019 3.962 0.057 1
1 578 . 10 1 1 A 47 47 GLU C C 47 179.738 178.698 1.040 1
1 579 . 10 1 1 A 47 47 GLU CA C 47 58.582 59.260 -0.678 1
1 580 . 10 1 1 A 47 47 GLU CB C 47 29.029 29.570 -0.541 1
1 582 . 10 1 1 A 47 47 GLU N N 47 117.916 119.692 -1.776 1
1 583 . 10 1 1 A 48 48 ALA H H 48 8.310 8.065 0.245 1
1 584 . 10 1 1 A 48 48 ALA HA H 48 3.761 3.974 -0.213 1
1 588 . 10 1 1 A 48 48 ALA C C 48 179.636 179.890 -0.254 1
1 589 . 10 1 1 A 48 48 ALA CA C 48 55.769 54.984 0.785 1
1 590 . 10 1 1 A 48 48 ALA CB C 48 17.370 18.453 -1.083 1
1 591 . 10 1 1 A 48 48 ALA N N 48 123.600 122.388 1.212 1
1 592 . 10 1 1 A 49 49 LEU H H 49 8.724 8.265 0.459 1
1 593 . 10 1 1 A 49 49 LEU HA H 49 3.924 4.054 -0.130 1
1 603 . 10 1 1 A 49 49 LEU C C 49 178.188 178.938 -0.750 1
1 604 . 10 1 1 A 49 49 LEU CA C 49 57.387 57.580 -0.193 1
1 605 . 10 1 1 A 49 49 LEU CB C 49 41.780 41.731 0.049 1
1 609 . 10 1 1 A 49 49 LEU N N 49 119.812 120.391 -0.579 1
1 610 . 10 1 1 A 50 50 LYS H H 50 7.421 7.879 -0.458 1
1 611 . 10 1 1 A 50 50 LYS HA H 50 3.856 3.930 -0.074 1
1 620 . 10 1 1 A 50 50 LYS C C 50 177.592 178.066 -0.474 1
1 621 . 10 1 1 A 50 50 LYS CA C 50 59.345 60.022 -0.677 1
1 622 . 10 1 1 A 50 50 LYS CB C 50 32.757 32.264 0.493 1
1 626 . 10 1 1 A 50 50 LYS N N 50 115.568 118.994 -3.426 1
1 627 . 10 1 1 A 51 51 ARG H H 51 7.787 7.358 0.429 1
1 628 . 10 1 1 A 51 51 ARG HA H 51 4.356 4.361 -0.005 1
1 635 . 10 1 1 A 51 51 ARG C C 51 176.424 175.099 1.325 1
1 636 . 10 1 1 A 51 51 ARG CA C 51 55.690 55.682 0.008 1
1 637 . 10 1 1 A 51 51 ARG CB C 51 30.227 30.138 0.089 1
1 640 . 10 1 1 A 51 51 ARG N N 51 115.686 116.294 -0.608 1
1 641 . 10 1 1 A 52 52 HIS H H 52 8.159 7.195 0.964 1
1 642 . 10 1 1 A 52 52 HIS HA H 52 4.512 4.934 -0.422 1
1 646 . 10 1 1 A 52 52 HIS C C 52 175.409 175.171 0.238 1
1 647 . 10 1 1 A 52 52 HIS CA C 52 56.087 53.834 2.253 1
1 648 . 10 1 1 A 52 52 HIS CB C 52 32.904 31.857 1.047 1
1 650 . 10 1 1 A 52 52 HIS N N 52 125.025 117.497 7.528 1
1 651 . 10 1 1 A 53 53 PRO HA H 53 4.341 4.467 -0.126 1
1 658 . 10 1 1 A 53 53 PRO CA C 53 65.210 64.700 0.510 1
1 659 . 10 1 1 A 53 53 PRO CB C 53 31.791 31.840 -0.049 1
1 662 . 10 1 1 A 54 54 ASP H H 54 8.058 8.591 -0.533 1
1 663 . 10 1 1 A 54 54 ASP HA H 54 5.184 4.783 0.401 1
1 666 . 10 1 1 A 54 54 ASP C C 54 176.079 176.265 -0.186 1
1 667 . 10 1 1 A 54 54 ASP CA C 54 52.778 53.877 -1.099 1
1 668 . 10 1 1 A 54 54 ASP CB C 54 41.573 41.623 -0.050 1
1 669 . 10 1 1 A 55 55 ALA H H 55 7.731 7.688 0.043 1
1 670 . 10 1 1 A 55 55 ALA HA H 55 3.589 3.958 -0.369 1
1 674 . 10 1 1 A 55 55 ALA C C 55 178.550 179.796 -1.246 1
1 675 . 10 1 1 A 55 55 ALA CA C 55 57.024 55.361 1.663 1
1 676 . 10 1 1 A 55 55 ALA CB C 55 20.320 18.640 1.680 1
1 677 . 10 1 1 A 55 55 ALA N N 55 122.261 123.605 -1.344 1
1 678 . 10 1 1 A 56 56 THR H H 56 8.405 8.227 0.178 1
1 679 . 10 1 1 A 56 56 THR HA H 56 3.804 3.884 -0.080 1
1 684 . 10 1 1 A 56 56 THR C C 56 177.743 176.997 0.746 1
1 685 . 10 1 1 A 56 56 THR CA C 56 67.024 65.539 1.485 1
1 686 . 10 1 1 A 56 56 THR CB C 56 68.257 69.019 -0.762 1
1 688 . 10 1 1 A 56 56 THR N N 56 110.600 113.271 -2.671 1
1 689 . 10 1 1 A 57 57 SER H H 57 7.907 7.839 0.068 1
1 690 . 10 1 1 A 57 57 SER HA H 57 4.251 4.178 0.073 1
1 693 . 10 1 1 A 57 57 SER C C 57 176.547 176.341 0.206 1
1 694 . 10 1 1 A 57 57 SER CA C 57 60.395 61.158 -0.763 1
1 695 . 10 1 1 A 57 57 SER CB C 57 62.766 62.904 -0.138 1
1 696 . 10 1 1 A 57 57 SER N N 57 117.623 116.894 0.729 1
1 697 . 10 1 1 A 58 58 LYS H H 58 8.180 7.616 0.564 1
1 698 . 10 1 1 A 58 58 LYS HA H 58 3.687 4.146 -0.459 1
1 707 . 10 1 1 A 58 58 LYS C C 58 178.074 177.763 0.311 1
1 708 . 10 1 1 A 58 58 LYS CA C 58 58.090 57.255 0.835 1
1 709 . 10 1 1 A 58 58 LYS CB C 58 32.328 32.348 -0.020 1
1 713 . 10 1 1 A 58 58 LYS N N 58 120.772 120.049 0.723 1
1 714 . 10 1 1 A 59 59 ILE H H 59 8.407 8.069 0.338 1
1 715 . 10 1 1 A 59 59 ILE HA H 59 3.336 4.040 -0.704 1
1 725 . 10 1 1 A 59 59 ILE C C 59 176.705 177.000 -0.295 1
1 726 . 10 1 1 A 59 59 ILE CA C 59 64.224 63.332 0.892 1
1 727 . 10 1 1 A 59 59 ILE CB C 59 38.989 38.367 0.622 1
1 731 . 10 1 1 A 59 59 ILE N N 59 119.024 117.577 1.447 1
1 732 . 10 1 1 A 60 60 GLY H H 60 7.360 8.111 -0.751 1
1 733 . 10 1 1 A 60 60 GLY HA2 H 60 3.884 3.898 -0.014 1
1 734 . 10 1 1 A 60 60 GLY HA3 H 60 3.614 3.902 -0.288 1
1 735 . 10 1 1 A 60 60 GLY C C 60 173.964 174.743 -0.779 1
1 736 . 10 1 1 A 60 60 GLY CA C 60 44.586 46.251 -1.665 1
1 737 . 10 1 1 A 60 60 GLY N N 60 106.081 109.735 -3.654 1
1 738 . 10 1 1 A 61 61 PRO HA H 61 4.486 4.433 0.053 1
1 745 . 10 1 1 A 61 61 PRO C C 61 175.603 176.504 -0.901 1
1 746 . 10 1 1 A 61 61 PRO CA C 61 63.473 63.921 -0.448 1
1 747 . 10 1 1 A 61 61 PRO CB C 61 31.981 32.030 -0.049 1
1 750 . 10 1 1 A 62 62 GLY H H 62 7.835 6.944 0.891 1
1 751 . 10 1 1 A 62 62 GLY HA2 H 62 4.378 4.028 0.350 1
1 752 . 10 1 1 A 62 62 GLY HA3 H 62 3.416 4.029 -0.613 1
1 753 . 10 1 1 A 62 62 GLY C C 62 172.596 171.959 0.637 1
1 754 . 10 1 1 A 62 62 GLY CA C 62 44.498 44.797 -0.299 1
1 755 . 10 1 1 A 62 62 GLY N N 62 110.214 106.922 3.292 1
1 756 . 10 1 1 A 63 63 VAL H H 63 8.646 8.425 0.221 1
1 757 . 10 1 1 A 63 63 VAL HA H 63 3.668 4.133 -0.465 1
1 765 . 10 1 1 A 63 63 VAL C C 63 175.808 175.727 0.081 1
1 766 . 10 1 1 A 63 63 VAL CA C 63 63.681 62.298 1.383 1
1 767 . 10 1 1 A 63 63 VAL CB C 63 32.863 31.668 1.195 1
1 770 . 10 1 1 A 63 63 VAL N N 63 122.735 120.537 2.198 1
1 771 . 10 1 1 A 64 64 ARG H H 64 9.524 8.692 0.832 1
1 772 . 10 1 1 A 64 64 ARG HA H 64 4.254 4.354 -0.100 1
1 779 . 10 1 1 A 64 64 ARG C C 64 175.574 175.860 -0.286 1
1 780 . 10 1 1 A 64 64 ARG CA C 64 57.310 57.381 -0.071 1
1 781 . 10 1 1 A 64 64 ARG CB C 64 31.928 31.315 0.613 1
1 784 . 10 1 1 A 64 64 ARG N N 64 129.782 129.251 0.531 1
1 785 . 10 1 1 A 65 65 ASN H H 65 8.089 7.180 0.909 1
1 786 . 10 1 1 A 65 65 ASN HA H 65 4.662 4.940 -0.278 1
1 791 . 10 1 1 A 65 65 ASN C C 65 171.753 172.106 -0.353 1
1 792 . 10 1 1 A 65 65 ASN CA C 65 53.279 51.929 1.350 1
1 793 . 10 1 1 A 65 65 ASN CB C 65 43.717 39.940 3.777 1
1 794 . 10 1 1 A 65 65 ASN N N 65 114.163 112.590 1.573 1
1 796 . 10 1 1 A 66 66 PHE H H 66 9.064 8.695 0.369 1
1 797 . 10 1 1 A 66 66 PHE HA H 66 5.738 5.548 0.190 1
1 805 . 10 1 1 A 66 66 PHE C C 66 174.834 174.899 -0.065 1
1 806 . 10 1 1 A 66 66 PHE CA C 66 56.578 56.219 0.359 1
1 807 . 10 1 1 A 66 66 PHE CB C 66 41.888 42.970 -1.082 1
1 813 . 10 1 1 A 66 66 PHE N N 66 114.774 115.531 -0.757 1
1 814 . 10 1 1 A 67 67 GLU H H 67 9.328 8.697 0.631 1
1 815 . 10 1 1 A 67 67 GLU HA H 67 5.307 5.074 0.233 1
1 820 . 10 1 1 A 67 67 GLU C C 67 174.999 175.514 -0.515 1
1 821 . 10 1 1 A 67 67 GLU CA C 67 54.003 55.475 -1.472 1
1 822 . 10 1 1 A 67 67 GLU CB C 67 35.678 32.105 3.573 1
1 824 . 10 1 1 A 67 67 GLU N N 67 122.005 122.190 -0.185 1
1 825 . 10 1 1 A 68 68 VAL H H 68 8.598 8.615 -0.017 1
1 826 . 10 1 1 A 68 68 VAL HA H 68 4.859 4.834 0.025 1
1 834 . 10 1 1 A 68 68 VAL C C 68 175.361 175.776 -0.415 1
1 835 . 10 1 1 A 68 68 VAL CA C 68 62.102 61.706 0.396 1
1 836 . 10 1 1 A 68 68 VAL CB C 68 32.865 32.077 0.788 1
1 839 . 10 1 1 A 68 68 VAL N N 68 124.692 122.902 1.790 1
1 840 . 10 1 1 A 69 69 ARG H H 69 8.896 8.535 0.361 1
1 841 . 10 1 1 A 69 69 ARG HA H 69 4.888 4.928 -0.040 1
1 848 . 10 1 1 A 69 69 ARG C C 69 175.469 175.485 -0.016 1
1 849 . 10 1 1 A 69 69 ARG CA C 69 54.384 53.838 0.546 1
1 850 . 10 1 1 A 69 69 ARG CB C 69 34.979 34.363 0.616 1
1 853 . 10 1 1 A 69 69 ARG N N 69 123.599 126.571 -2.972 1
1 854 . 10 1 1 A 70 70 SER H H 70 8.758 8.704 0.054 1
1 855 . 10 1 1 A 70 70 SER HA H 70 4.511 4.715 -0.204 1
1 858 . 10 1 1 A 70 70 SER C C 70 173.488 173.836 -0.348 1
1 859 . 10 1 1 A 70 70 SER CA C 70 59.858 57.442 2.416 1
1 860 . 10 1 1 A 70 70 SER CB C 70 63.927 65.118 -1.191 1
1 861 . 10 1 1 A 70 70 SER N N 70 116.239 114.207 2.032 1
1 862 . 10 1 1 A 71 71 ALA H H 71 8.456 9.000 -0.544 1
1 863 . 10 1 1 A 71 71 ALA HA H 71 4.688 4.433 0.255 1
1 867 . 10 1 1 A 71 71 ALA C C 71 176.054 176.349 -0.295 1
1 868 . 10 1 1 A 71 71 ALA CA C 71 51.016 53.552 -2.536 1
1 869 . 10 1 1 A 71 71 ALA CB C 71 20.324 20.705 -0.381 1
1 870 . 10 1 1 A 71 71 ALA N N 71 128.999 122.755 6.244 1
1 871 . 10 1 1 A 72 72 ASP H H 72 7.968 8.622 -0.654 1
1 872 . 10 1 1 A 72 72 ASP HA H 72 4.361 4.743 -0.382 1
1 875 . 10 1 1 A 72 72 ASP C C 72 176.444 176.381 0.063 1
1 876 . 10 1 1 A 72 72 ASP CA C 72 54.732 52.712 2.020 1
1 877 . 10 1 1 A 72 72 ASP CB C 72 41.060 43.102 -2.042 1
1 878 . 10 1 1 A 72 72 ASP N N 72 118.176 116.599 1.577 1
1 879 . 10 1 1 A 73 73 TYR H H 73 8.768 8.587 0.181 1
1 880 . 10 1 1 A 73 73 TYR HA H 73 4.309 4.194 0.115 1
1 887 . 10 1 1 A 73 73 TYR C C 73 176.601 177.386 -0.785 1
1 888 . 10 1 1 A 73 73 TYR CA C 73 58.799 60.195 -1.396 1
1 889 . 10 1 1 A 73 73 TYR CB C 73 36.239 37.746 -1.507 1
1 894 . 10 1 1 A 73 73 TYR N N 73 117.846 120.025 -2.179 1
1 895 . 10 1 1 A 74 74 GLY H H 74 8.533 7.944 0.589 1
1 896 . 10 1 1 A 74 74 GLY HA2 H 74 4.069 4.083 -0.014 1
1 897 . 10 1 1 A 74 74 GLY HA3 H 74 3.844 4.089 -0.245 1
1 898 . 10 1 1 A 74 74 GLY C C 74 175.060 173.901 1.159 1
1 899 . 10 1 1 A 74 74 GLY CA C 74 46.117 45.737 0.380 1
1 900 . 10 1 1 A 74 74 GLY N N 74 108.255 107.549 0.706 1
1 901 . 10 1 1 A 75 75 THR H H 75 7.534 7.581 -0.047 1
1 902 . 10 1 1 A 75 75 THR HA H 75 4.687 5.066 -0.379 1
1 907 . 10 1 1 A 75 75 THR C C 75 173.779 173.195 0.584 1
1 908 . 10 1 1 A 75 75 THR CA C 75 61.115 59.349 1.766 1
1 909 . 10 1 1 A 75 75 THR CB C 75 71.585 71.968 -0.383 1
1 911 . 10 1 1 A 75 75 THR N N 75 111.431 111.527 -0.096 1
1 912 . 10 1 1 A 76 76 GLN H H 76 8.590 8.442 0.148 1
1 913 . 10 1 1 A 76 76 GLN HA H 76 5.238 4.875 0.363 1
1 920 . 10 1 1 A 76 76 GLN C C 76 173.605 174.113 -0.508 1
1 921 . 10 1 1 A 76 76 GLN CA C 76 54.556 54.247 0.309 1
1 922 . 10 1 1 A 76 76 GLN CB C 76 31.657 32.188 -0.531 1
1 924 . 10 1 1 A 76 76 GLN N N 76 117.495 119.156 -1.661 1
1 926 . 10 1 1 A 77 77 CYS H H 77 9.058 8.732 0.326 1
1 927 . 10 1 1 A 77 77 CYS HA H 77 4.780 4.695 0.085 1
1 930 . 10 1 1 A 77 77 CYS C C 77 172.371 173.534 -1.163 1
1 931 . 10 1 1 A 77 77 CYS CA C 77 56.886 57.880 -0.994 1
1 932 . 10 1 1 A 77 77 CYS CB C 77 31.492 31.509 -0.017 1
1 933 . 10 1 1 A 77 77 CYS N N 77 114.572 118.682 -4.110 1
1 934 . 10 1 1 A 78 78 PHE H H 78 8.872 8.702 0.170 1
1 935 . 10 1 1 A 78 78 PHE HA H 78 5.419 4.997 0.422 1
1 943 . 10 1 1 A 78 78 PHE CA C 78 58.466 57.413 1.053 1
1 944 . 10 1 1 A 78 78 PHE CB C 78 42.360 40.406 1.954 1
1 950 . 10 1 1 A 78 78 PHE N N 78 120.396 122.389 -1.993 1
1 951 . 10 1 1 A 79 79 TRP H H 79 10.003 9.419 0.584 1
1 952 . 10 1 1 A 79 79 TRP HA H 79 4.907 5.674 -0.767 1
1 961 . 10 1 1 A 79 79 TRP CA C 79 57.535 56.188 1.347 1
1 962 . 10 1 1 A 79 79 TRP CB C 79 30.788 31.409 -0.621 1
1 968 . 10 1 1 A 79 79 TRP N N 79 120.993 122.508 -1.515 1
1 970 . 10 1 1 A 80 80 ILE H H 80 9.669 9.371 0.298 1
1 971 . 10 1 1 A 80 80 ILE HA H 80 3.773 4.389 -0.616 1
1 981 . 10 1 1 A 80 80 ILE C C 80 174.675 175.363 -0.688 1
1 982 . 10 1 1 A 80 80 ILE CA C 80 61.505 61.526 -0.021 1
1 983 . 10 1 1 A 80 80 ILE CB C 80 40.765 36.913 3.852 1
1 987 . 10 1 1 A 80 80 ILE N N 80 122.205 125.941 -3.736 1
1 988 . 10 1 1 A 81 81 LEU H H 81 8.489 8.113 0.376 1
1 989 . 10 1 1 A 81 81 LEU HA H 81 5.037 4.580 0.457 1
1 999 . 10 1 1 A 81 81 LEU C C 81 177.301 176.311 0.990 1
1 1000 . 10 1 1 A 81 81 LEU CA C 81 53.483 54.330 -0.847 1
1 1001 . 10 1 1 A 81 81 LEU CB C 81 40.344 41.306 -0.962 1
1 1005 . 10 1 1 A 81 81 LEU N N 81 127.849 129.247 -1.398 1
1 1006 . 10 1 1 A 82 82 ARG H H 82 8.980 9.155 -0.175 1
1 1007 . 10 1 1 A 82 82 ARG HA H 82 5.127 4.423 0.704 1
1 1014 . 10 1 1 A 82 82 ARG C C 82 179.527 177.597 1.930 1
1 1015 . 10 1 1 A 82 82 ARG CA C 82 57.410 55.320 2.090 1
1 1016 . 10 1 1 A 82 82 ARG CB C 82 31.995 30.945 1.050 1
1 1019 . 10 1 1 A 82 82 ARG N N 82 121.829 124.839 -3.010 1
1 1020 . 10 1 1 A 83 83 THR H H 83 8.427 8.478 -0.051 1
1 1021 . 10 1 1 A 83 83 THR HA H 83 3.823 4.067 -0.244 1
1 1026 . 10 1 1 A 83 83 THR C C 83 174.540 175.667 -1.127 1
1 1027 . 10 1 1 A 83 83 THR CA C 83 64.441 64.736 -0.295 1
1 1028 . 10 1 1 A 83 83 THR CB C 83 67.987 68.595 -0.608 1
1 1030 . 10 1 1 A 83 83 THR N N 83 111.631 116.635 -5.004 1
1 1031 . 10 1 1 A 84 84 ASP H H 84 7.431 7.802 -0.371 1
1 1032 . 10 1 1 A 84 84 ASP HA H 84 4.706 4.494 0.212 1
1 1035 . 10 1 1 A 84 84 ASP C C 84 177.092 176.129 0.963 1
1 1036 . 10 1 1 A 84 84 ASP CA C 84 52.983 54.763 -1.780 1
1 1037 . 10 1 1 A 84 84 ASP CB C 84 40.502 41.037 -0.535 1
1 1038 . 10 1 1 A 84 84 ASP N N 84 117.630 120.933 -3.303 1
1 1039 . 10 1 1 A 85 85 GLY H H 85 7.924 7.999 -0.075 1
1 1040 . 10 1 1 A 85 85 GLY HA2 H 85 3.741 3.993 -0.252 1
1 1041 . 10 1 1 A 85 85 GLY HA3 H 85 4.364 3.998 0.366 1
1 1042 . 10 1 1 A 85 85 GLY C C 85 174.007 174.594 -0.587 1
1 1043 . 10 1 1 A 85 85 GLY CA C 85 45.370 45.110 0.260 1
1 1044 . 10 1 1 A 85 85 GLY N N 85 108.078 106.683 1.395 1
1 1045 . 10 1 1 A 86 86 SER H H 86 8.009 8.008 0.001 1
1 1046 . 10 1 1 A 86 86 SER HA H 86 4.563 4.467 0.096 1
1 1049 . 10 1 1 A 86 86 SER C C 86 172.835 174.760 -1.925 1
1 1050 . 10 1 1 A 86 86 SER CA C 86 58.731 59.374 -0.643 1
1 1051 . 10 1 1 A 86 86 SER CB C 86 64.803 64.337 0.466 1
1 1052 . 10 1 1 A 86 86 SER N N 86 117.029 117.459 -0.430 1
1 1053 . 10 1 1 A 87 87 GLU H H 87 8.593 8.908 -0.315 1
1 1054 . 10 1 1 A 87 87 GLU HA H 87 5.921 5.622 0.299 1
1 1059 . 10 1 1 A 87 87 GLU C C 87 175.873 174.733 1.140 1
1 1060 . 10 1 1 A 87 87 GLU CA C 87 54.343 54.196 0.147 1
1 1061 . 10 1 1 A 87 87 GLU CB C 87 33.925 33.365 0.560 1
1 1063 . 10 1 1 A 87 87 GLU N N 87 116.585 119.741 -3.156 1
1 1064 . 10 1 1 A 88 88 GLU HA H 88 4.496 4.809 -0.313 1
1 1069 . 10 1 1 A 88 88 GLU CA C 88 55.840 55.852 -0.012 1
1 1070 . 10 1 1 A 88 88 GLU CB C 88 34.310 33.496 0.814 1
1 1072 . 10 1 1 A 89 89 ARG H H 89 8.013 8.569 -0.556 1
1 1073 . 10 1 1 A 89 89 ARG HA H 89 3.184 4.881 -1.697 1
1 1080 . 10 1 1 A 89 89 ARG CA C 89 56.576 54.140 2.436 1
1 1081 . 10 1 1 A 89 89 ARG CB C 89 30.462 33.156 -2.694 1
1 1084 . 10 1 1 A 89 89 ARG N N 89 127.945 121.284 6.661 1
1 1085 . 10 1 1 A 90 90 PHE HA H 90 5.021 5.419 -0.398 1
1 1093 . 10 1 1 A 90 90 PHE CA C 90 55.089 55.463 -0.374 1
1 1094 . 10 1 1 A 90 90 PHE CB C 90 40.446 41.451 -1.005 1
1 1100 . 10 1 1 A 91 91 SER HA H 91 4.639 4.240 0.399 1
1 1103 . 10 1 1 A 91 91 SER CA C 91 56.242 57.197 -0.955 1
1 1104 . 10 1 1 A 91 91 SER CB C 91 62.621 60.736 1.885 1
1 1105 . 10 1 1 A 92 92 TYR HA H 92 4.268 4.424 -0.156 1
1 1112 . 10 1 1 A 92 92 TYR C C 92 176.450 177.368 -0.918 1
1 1113 . 10 1 1 A 92 92 TYR CA C 92 59.575 60.841 -1.266 1
1 1114 . 10 1 1 A 92 92 TYR CB C 92 37.283 37.700 -0.417 1
1 1119 . 10 1 1 A 93 93 LYS H H 93 7.405 7.912 -0.507 1
1 1120 . 10 1 1 A 93 93 LYS HA H 93 3.749 4.006 -0.257 1
1 1129 . 10 1 1 A 93 93 LYS C C 93 177.715 177.065 0.650 1
1 1130 . 10 1 1 A 93 93 LYS CA C 93 58.446 58.527 -0.081 1
1 1131 . 10 1 1 A 93 93 LYS CB C 93 31.822 32.069 -0.247 1
1 1135 . 10 1 1 A 93 93 LYS N N 93 120.689 118.422 2.267 1
1 1136 . 10 1 1 A 94 94 LYS H H 94 7.405 7.711 -0.306 1
1 1137 . 10 1 1 A 94 94 LYS HA H 94 4.079 4.410 -0.331 1
1 1146 . 10 1 1 A 94 94 LYS C C 94 176.709 175.693 1.016 1
1 1147 . 10 1 1 A 94 94 LYS CA C 94 56.479 54.982 1.497 1
1 1148 . 10 1 1 A 94 94 LYS CB C 94 32.760 31.236 1.524 1
1 1152 . 10 1 1 A 94 94 LYS N N 94 115.712 118.175 -2.463 1
1 1153 . 10 1 1 A 95 95 CYS H H 95 7.537 8.174 -0.637 1
1 1154 . 10 1 1 A 95 95 CYS HA H 95 3.937 4.815 -0.878 1
1 1157 . 10 1 1 A 95 95 CYS C C 95 173.487 174.917 -1.430 1
1 1158 . 10 1 1 A 95 95 CYS CA C 95 61.795 58.304 3.491 1
1 1159 . 10 1 1 A 95 95 CYS CB C 95 27.546 28.327 -0.781 1
1 1160 . 10 1 1 A 95 95 CYS N N 95 115.586 124.050 -8.464 1
1 1161 . 10 1 1 A 96 96 VAL HA H 96 4.154 4.210 -0.056 1
1 1169 . 10 1 1 A 96 96 VAL C C 96 175.216 176.022 -0.806 1
1 1170 . 10 1 1 A 96 96 VAL CA C 96 61.916 63.604 -1.688 1
1 1171 . 10 1 1 A 96 96 VAL CB C 96 31.695 33.205 -1.510 1
1 1174 . 10 1 1 A 97 97 LEU H H 97 8.002 7.863 0.139 1
1 1175 . 10 1 1 A 97 97 LEU HA H 97 4.316 4.769 -0.453 1
1 1185 . 10 1 1 A 97 97 LEU C C 97 176.168 174.411 1.757 1
1 1186 . 10 1 1 A 97 97 LEU CA C 97 54.770 54.429 0.341 1
1 1187 . 10 1 1 A 97 97 LEU CB C 97 42.558 44.801 -2.243 1
1 1191 . 10 1 1 A 97 97 LEU N N 97 124.364 119.700 4.664 1
1 1192 . 10 1 1 A 98 98 GLU H H 98 8.345 8.989 -0.644 1
1 1193 . 10 1 1 A 98 98 GLU HA H 98 4.301 5.049 -0.748 1
1 1198 . 10 1 1 A 98 98 GLU C C 98 175.732 174.871 0.861 1
1 1199 . 10 1 1 A 98 98 GLU CA C 98 55.988 55.488 0.500 1
1 1200 . 10 1 1 A 98 98 GLU CB C 98 30.989 32.058 -1.069 1
1 1 . 11 1 1 A 2 2 ALA HA H 2 4.102 4.742 -0.640 1
1 5 . 11 1 1 A 2 2 ALA CA C 2 51.775 50.151 1.624 1
1 6 . 11 1 1 A 2 2 ALA CB C 2 19.665 21.821 -2.156 1
1 7 . 11 1 1 A 3 3 LYS HA H 3 4.329 4.385 -0.056 1
1 15 . 11 1 1 A 3 3 LYS C C 3 176.086 176.837 -0.751 1
1 16 . 11 1 1 A 3 3 LYS CA C 3 56.354 56.813 -0.459 1
1 17 . 11 1 1 A 3 3 LYS CB C 3 33.325 32.485 0.840 1
1 21 . 11 1 1 A 4 4 ALA H H 4 8.515 7.573 0.942 1
1 22 . 11 1 1 A 4 4 ALA HA H 4 4.356 4.434 -0.078 1
1 26 . 11 1 1 A 4 4 ALA C C 4 177.307 176.197 1.110 1
1 27 . 11 1 1 A 4 4 ALA CA C 4 52.316 51.335 0.981 1
1 28 . 11 1 1 A 4 4 ALA CB C 4 19.421 19.228 0.193 1
1 29 . 11 1 1 A 4 4 ALA N N 4 126.866 124.049 2.817 1
1 30 . 11 1 1 A 5 5 GLN H H 5 8.521 8.825 -0.304 1
1 31 . 11 1 1 A 5 5 GLN HA H 5 4.652 4.807 -0.155 1
1 38 . 11 1 1 A 5 5 GLN C C 5 173.576 173.406 0.170 1
1 39 . 11 1 1 A 5 5 GLN CA C 5 53.470 52.171 1.299 1
1 40 . 11 1 1 A 5 5 GLN CB C 5 29.457 29.626 -0.169 1
1 42 . 11 1 1 A 5 5 GLN N N 5 122.182 122.751 -0.569 1
1 44 . 11 1 1 A 6 6 PRO HA H 6 4.587 4.519 0.068 1
1 51 . 11 1 1 A 6 6 PRO C C 6 176.481 176.567 -0.086 1
1 52 . 11 1 1 A 6 6 PRO CA C 6 63.028 63.112 -0.084 1
1 53 . 11 1 1 A 6 6 PRO CB C 6 32.905 31.994 0.911 1
1 56 . 11 1 1 A 7 7 ILE H H 7 8.581 8.709 -0.128 1
1 57 . 11 1 1 A 7 7 ILE HA H 7 4.245 4.201 0.044 1
1 67 . 11 1 1 A 7 7 ILE C C 7 174.129 174.938 -0.809 1
1 68 . 11 1 1 A 7 7 ILE CA C 7 60.613 61.008 -0.395 1
1 69 . 11 1 1 A 7 7 ILE CB C 7 40.266 36.927 3.339 1
1 73 . 11 1 1 A 7 7 ILE N N 7 120.418 123.639 -3.221 1
1 74 . 11 1 1 A 8 8 GLU H H 8 8.572 8.555 0.017 1
1 75 . 11 1 1 A 8 8 GLU HA H 8 5.363 4.949 0.414 1
1 80 . 11 1 1 A 8 8 GLU C C 8 175.806 175.387 0.419 1
1 81 . 11 1 1 A 8 8 GLU CA C 8 54.749 55.741 -0.992 1
1 82 . 11 1 1 A 8 8 GLU CB C 8 31.505 30.683 0.822 1
1 84 . 11 1 1 A 8 8 GLU N N 8 128.440 128.227 0.213 1
1 85 . 11 1 1 A 9 9 ILE H H 9 8.591 8.989 -0.398 1
1 86 . 11 1 1 A 9 9 ILE HA H 9 4.111 4.450 -0.339 1
1 96 . 11 1 1 A 9 9 ILE C C 9 174.977 176.169 -1.192 1
1 97 . 11 1 1 A 9 9 ILE CA C 9 60.967 60.246 0.721 1
1 98 . 11 1 1 A 9 9 ILE CB C 9 41.559 40.136 1.423 1
1 102 . 11 1 1 A 9 9 ILE N N 9 123.957 127.817 -3.860 1
1 103 . 11 1 1 A 10 10 ALA H H 10 9.398 9.178 0.220 1
1 104 . 11 1 1 A 10 10 ALA HA H 10 4.072 4.095 -0.023 1
1 108 . 11 1 1 A 10 10 ALA C C 10 177.026 177.111 -0.085 1
1 109 . 11 1 1 A 10 10 ALA CA C 10 52.646 53.440 -0.794 1
1 110 . 11 1 1 A 10 10 ALA CB C 10 18.121 18.067 0.054 1
1 111 . 11 1 1 A 10 10 ALA N N 10 130.074 131.963 -1.889 1
1 112 . 11 1 1 A 11 11 GLY H H 11 8.958 8.610 0.348 1
1 113 . 11 1 1 A 11 11 GLY HA2 H 11 4.046 3.715 0.331 1
1 114 . 11 1 1 A 11 11 GLY HA3 H 11 3.570 3.746 -0.176 1
1 115 . 11 1 1 A 11 11 GLY C C 11 174.139 173.693 0.446 1
1 116 . 11 1 1 A 11 11 GLY CA C 11 45.467 45.265 0.202 1
1 117 . 11 1 1 A 11 11 GLY N N 11 105.460 103.299 2.161 1
1 118 . 11 1 1 A 12 12 HIS H H 12 8.189 8.108 0.081 1
1 119 . 11 1 1 A 12 12 HIS HA H 12 4.325 4.298 0.027 1
1 124 . 11 1 1 A 12 12 HIS C C 12 173.060 174.390 -1.330 1
1 125 . 11 1 1 A 12 12 HIS CA C 12 54.628 55.536 -0.908 1
1 126 . 11 1 1 A 12 12 HIS CB C 12 30.432 30.108 0.324 1
1 129 . 11 1 1 A 12 12 HIS N N 12 120.216 118.733 1.483 1
1 130 . 11 1 1 A 13 13 GLU H H 13 8.338 8.854 -0.516 1
1 131 . 11 1 1 A 13 13 GLU HA H 13 4.659 4.517 0.142 1
1 136 . 11 1 1 A 13 13 GLU C C 13 175.231 174.890 0.341 1
1 137 . 11 1 1 A 13 13 GLU CA C 13 55.147 55.768 -0.621 1
1 138 . 11 1 1 A 13 13 GLU CB C 13 31.218 30.145 1.073 1
1 140 . 11 1 1 A 13 13 GLU N N 13 122.925 124.399 -1.474 1
1 141 . 11 1 1 A 14 14 PHE H H 14 9.117 9.238 -0.121 1
1 142 . 11 1 1 A 14 14 PHE HA H 14 4.941 4.999 -0.058 1
1 150 . 11 1 1 A 14 14 PHE C C 14 175.179 176.422 -1.243 1
1 151 . 11 1 1 A 14 14 PHE CA C 14 56.302 56.808 -0.506 1
1 152 . 11 1 1 A 14 14 PHE CB C 14 41.499 38.779 2.720 1
1 158 . 11 1 1 A 14 14 PHE N N 14 123.141 124.459 -1.318 1
1 159 . 11 1 1 A 15 15 ALA H H 15 9.393 8.764 0.629 1
1 160 . 11 1 1 A 15 15 ALA HA H 15 4.130 4.226 -0.096 1
1 164 . 11 1 1 A 15 15 ALA C C 15 177.675 177.071 0.604 1
1 165 . 11 1 1 A 15 15 ALA CA C 15 54.880 54.258 0.622 1
1 166 . 11 1 1 A 15 15 ALA CB C 15 18.986 18.897 0.089 1
1 167 . 11 1 1 A 15 15 ALA N N 15 126.102 127.803 -1.701 1
1 168 . 11 1 1 A 16 16 ARG H H 16 7.756 7.790 -0.034 1
1 169 . 11 1 1 A 16 16 ARG HA H 16 4.809 4.627 0.182 1
1 176 . 11 1 1 A 16 16 ARG C C 16 177.344 176.233 1.111 1
1 177 . 11 1 1 A 16 16 ARG CA C 16 53.409 54.725 -1.316 1
1 178 . 11 1 1 A 16 16 ARG CB C 16 33.323 32.909 0.414 1
1 181 . 11 1 1 A 16 16 ARG N N 16 110.189 118.565 -8.376 1
1 182 . 11 1 1 A 17 17 LYS H H 17 9.303 8.988 0.315 1
1 183 . 11 1 1 A 17 17 LYS HA H 17 3.742 3.907 -0.165 1
1 192 . 11 1 1 A 17 17 LYS C C 17 178.667 177.958 0.709 1
1 193 . 11 1 1 A 17 17 LYS CA C 17 60.663 59.858 0.805 1
1 194 . 11 1 1 A 17 17 LYS CB C 17 32.005 32.136 -0.131 1
1 198 . 11 1 1 A 17 17 LYS N N 17 125.242 127.266 -2.024 1
1 199 . 11 1 1 A 18 18 ALA H H 18 8.777 8.329 0.448 1
1 200 . 11 1 1 A 18 18 ALA HA H 18 4.046 4.114 -0.068 1
1 204 . 11 1 1 A 18 18 ALA C C 18 180.134 179.299 0.835 1
1 205 . 11 1 1 A 18 18 ALA CA C 18 55.181 54.880 0.301 1
1 206 . 11 1 1 A 18 18 ALA CB C 18 18.633 18.151 0.482 1
1 207 . 11 1 1 A 18 18 ALA N N 18 118.670 120.612 -1.942 1
1 208 . 11 1 1 A 19 19 ASP H H 19 7.454 8.271 -0.817 1
1 209 . 11 1 1 A 19 19 ASP HA H 19 4.586 4.439 0.147 1
1 212 . 11 1 1 A 19 19 ASP C C 19 178.469 177.986 0.483 1
1 213 . 11 1 1 A 19 19 ASP CA C 19 57.082 56.664 0.418 1
1 214 . 11 1 1 A 19 19 ASP CB C 19 41.304 41.225 0.079 1
1 215 . 11 1 1 A 19 19 ASP N N 19 117.020 119.029 -2.009 1
1 216 . 11 1 1 A 20 20 ALA H H 20 7.123 7.625 -0.502 1
1 217 . 11 1 1 A 20 20 ALA HA H 20 2.604 2.671 -0.067 1
1 221 . 11 1 1 A 20 20 ALA C C 20 178.706 179.862 -1.156 1
1 222 . 11 1 1 A 20 20 ALA CA C 20 54.453 54.544 -0.091 1
1 223 . 11 1 1 A 20 20 ALA CB C 20 18.199 17.794 0.405 1
1 224 . 11 1 1 A 20 20 ALA N N 20 124.691 121.736 2.955 1
1 225 . 11 1 1 A 21 21 LEU H H 21 7.871 8.040 -0.169 1
1 226 . 11 1 1 A 21 21 LEU HA H 21 4.008 4.132 -0.124 1
1 236 . 11 1 1 A 21 21 LEU C C 21 179.041 179.177 -0.136 1
1 237 . 11 1 1 A 21 21 LEU CA C 21 58.398 58.059 0.339 1
1 238 . 11 1 1 A 21 21 LEU CB C 21 41.382 41.370 0.012 1
1 242 . 11 1 1 A 21 21 LEU N N 21 116.889 118.277 -1.388 1
1 243 . 11 1 1 A 22 22 ALA H H 22 7.972 8.466 -0.494 1
1 244 . 11 1 1 A 22 22 ALA HA H 22 4.158 4.104 0.054 1
1 248 . 11 1 1 A 22 22 ALA C C 22 179.288 179.625 -0.337 1
1 249 . 11 1 1 A 22 22 ALA CA C 22 55.180 55.285 -0.105 1
1 250 . 11 1 1 A 22 22 ALA CB C 22 18.013 18.657 -0.644 1
1 251 . 11 1 1 A 22 22 ALA N N 22 121.219 121.939 -0.720 1
1 252 . 11 1 1 A 23 23 PHE H H 23 7.546 8.315 -0.769 1
1 253 . 11 1 1 A 23 23 PHE HA H 23 4.081 3.917 0.164 1
1 261 . 11 1 1 A 23 23 PHE C C 23 178.515 176.880 1.635 1
1 262 . 11 1 1 A 23 23 PHE CA C 23 61.520 61.723 -0.203 1
1 263 . 11 1 1 A 23 23 PHE CB C 23 40.296 39.204 1.092 1
1 269 . 11 1 1 A 23 23 PHE N N 23 119.034 119.380 -0.346 1
1 270 . 11 1 1 A 24 24 MET H H 24 7.595 8.134 -0.539 1
1 271 . 11 1 1 A 24 24 MET HA H 24 3.768 3.737 0.031 1
1 279 . 11 1 1 A 24 24 MET C C 24 176.037 177.921 -1.884 1
1 280 . 11 1 1 A 24 24 MET CA C 24 59.901 58.695 1.206 1
1 281 . 11 1 1 A 24 24 MET CB C 24 34.008 32.214 1.794 1
1 284 . 11 1 1 A 24 24 MET N N 24 118.377 117.150 1.227 1
1 285 . 11 1 1 A 25 25 LYS H H 25 8.131 7.735 0.396 1
1 286 . 11 1 1 A 25 25 LYS HA H 25 3.747 4.105 -0.358 1
1 295 . 11 1 1 A 25 25 LYS C C 25 178.865 179.325 -0.460 1
1 296 . 11 1 1 A 25 25 LYS CA C 25 59.994 59.073 0.921 1
1 297 . 11 1 1 A 25 25 LYS CB C 25 32.365 31.915 0.450 1
1 301 . 11 1 1 A 25 25 LYS N N 25 121.901 119.489 2.412 1
1 302 . 11 1 1 A 26 26 VAL H H 26 7.986 8.129 -0.143 1
1 303 . 11 1 1 A 26 26 VAL HA H 26 3.515 3.529 -0.014 1
1 311 . 11 1 1 A 26 26 VAL C C 26 178.654 177.950 0.704 1
1 312 . 11 1 1 A 26 26 VAL CA C 26 66.337 66.440 -0.103 1
1 313 . 11 1 1 A 26 26 VAL CB C 26 31.302 31.455 -0.153 1
1 316 . 11 1 1 A 26 26 VAL N N 26 119.393 119.444 -0.051 1
1 317 . 11 1 1 A 27 27 MET H H 27 7.232 7.621 -0.389 1
1 318 . 11 1 1 A 27 27 MET HA H 27 3.586 4.009 -0.423 1
1 326 . 11 1 1 A 27 27 MET C C 27 177.564 178.592 -1.028 1
1 327 . 11 1 1 A 27 27 MET CA C 27 59.113 58.358 0.755 1
1 328 . 11 1 1 A 27 27 MET CB C 27 34.025 32.403 1.622 1
1 331 . 11 1 1 A 27 27 MET N N 27 119.647 118.825 0.822 1
1 332 . 11 1 1 A 28 28 LEU H H 28 8.201 7.890 0.311 1
1 333 . 11 1 1 A 28 28 LEU HA H 28 3.733 4.131 -0.398 1
1 343 . 11 1 1 A 28 28 LEU C C 28 178.075 178.675 -0.600 1
1 344 . 11 1 1 A 28 28 LEU CA C 28 57.980 58.147 -0.167 1
1 345 . 11 1 1 A 28 28 LEU CB C 28 41.151 41.169 -0.018 1
1 349 . 11 1 1 A 28 28 LEU N N 28 118.420 123.464 -5.044 1
1 350 . 11 1 1 A 29 29 ASN H H 29 7.579 8.424 -0.845 1
1 351 . 11 1 1 A 29 29 ASN HA H 29 4.512 4.607 -0.095 1
1 356 . 11 1 1 A 29 29 ASN C C 29 176.087 177.674 -1.587 1
1 357 . 11 1 1 A 29 29 ASN CA C 29 54.286 55.773 -1.487 1
1 358 . 11 1 1 A 29 29 ASN CB C 29 38.984 38.340 0.644 1
1 359 . 11 1 1 A 29 29 ASN N N 29 112.254 116.895 -4.641 1
1 361 . 11 1 1 A 30 30 ARG H H 30 7.621 7.662 -0.041 1
1 362 . 11 1 1 A 30 30 ARG HA H 30 4.169 3.937 0.232 1
1 369 . 11 1 1 A 30 30 ARG C C 30 175.926 176.393 -0.467 1
1 370 . 11 1 1 A 30 30 ARG CA C 30 57.482 58.139 -0.657 1
1 371 . 11 1 1 A 30 30 ARG CB C 30 30.404 30.030 0.374 1
1 374 . 11 1 1 A 30 30 ARG N N 30 118.878 119.441 -0.563 1
1 375 . 11 1 1 A 31 31 TYR H H 31 7.287 7.557 -0.270 1
1 376 . 11 1 1 A 31 31 TYR HA H 31 4.690 4.773 -0.083 1
1 383 . 11 1 1 A 31 31 TYR C C 31 174.348 175.583 -1.235 1
1 384 . 11 1 1 A 31 31 TYR CA C 31 58.118 58.154 -0.036 1
1 385 . 11 1 1 A 31 31 TYR CB C 31 43.045 39.740 3.305 1
1 390 . 11 1 1 A 31 31 TYR N N 31 118.414 117.288 1.126 1
1 391 . 11 1 1 A 32 32 ARG H H 32 9.314 8.705 0.609 1
1 392 . 11 1 1 A 32 32 ARG HA H 32 4.913 4.830 0.083 1
1 399 . 11 1 1 A 32 32 ARG C C 32 173.525 174.203 -0.678 1
1 400 . 11 1 1 A 32 32 ARG CA C 32 52.775 53.146 -0.371 1
1 401 . 11 1 1 A 32 32 ARG CB C 32 30.292 31.518 -1.226 1
1 404 . 11 1 1 A 32 32 ARG N N 32 121.876 119.982 1.894 1
1 405 . 11 1 1 A 33 33 PRO HA H 33 3.870 4.712 -0.842 1
1 412 . 11 1 1 A 33 33 PRO C C 33 177.517 177.286 0.231 1
1 413 . 11 1 1 A 33 33 PRO CA C 33 64.332 62.841 1.491 1
1 414 . 11 1 1 A 33 33 PRO CB C 33 31.655 29.675 1.980 1
1 417 . 11 1 1 A 34 34 GLY H H 34 9.584 8.730 0.854 1
1 418 . 11 1 1 A 34 34 GLY HA2 H 34 4.422 4.057 0.365 1
1 419 . 11 1 1 A 34 34 GLY HA3 H 34 3.725 4.069 -0.344 1
1 420 . 11 1 1 A 34 34 GLY C C 34 174.605 174.347 0.258 1
1 421 . 11 1 1 A 34 34 GLY CA C 34 44.745 45.245 -0.500 1
1 422 . 11 1 1 A 34 34 GLY N N 34 115.669 112.692 2.977 1
1 423 . 11 1 1 A 35 35 ASP H H 35 8.252 8.156 0.096 1
1 424 . 11 1 1 A 35 35 ASP HA H 35 4.691 4.888 -0.197 1
1 427 . 11 1 1 A 35 35 ASP C C 35 175.279 175.725 -0.446 1
1 428 . 11 1 1 A 35 35 ASP CA C 35 55.195 53.762 1.433 1
1 429 . 11 1 1 A 35 35 ASP CB C 35 42.301 42.422 -0.121 1
1 430 . 11 1 1 A 35 35 ASP N N 35 122.076 120.415 1.661 1
1 431 . 11 1 1 A 36 36 ILE H H 36 8.194 8.490 -0.296 1
1 432 . 11 1 1 A 36 36 ILE HA H 36 4.546 4.536 0.010 1
1 442 . 11 1 1 A 36 36 ILE C C 36 176.709 176.416 0.293 1
1 443 . 11 1 1 A 36 36 ILE CA C 36 59.572 60.407 -0.835 1
1 444 . 11 1 1 A 36 36 ILE CB C 36 37.870 38.289 -0.419 1
1 448 . 11 1 1 A 36 36 ILE N N 36 120.260 121.728 -1.468 1
1 449 . 11 1 1 A 37 37 VAL H H 37 7.963 8.993 -1.030 1
1 450 . 11 1 1 A 37 37 VAL HA H 37 3.671 3.343 0.328 1
1 458 . 11 1 1 A 37 37 VAL C C 37 176.530 176.371 0.159 1
1 459 . 11 1 1 A 37 37 VAL CA C 37 62.969 62.431 0.538 1
1 460 . 11 1 1 A 37 37 VAL CB C 37 32.201 31.963 0.238 1
1 463 . 11 1 1 A 37 37 VAL N N 37 126.533 127.109 -0.576 1
1 464 . 11 1 1 A 38 38 SER H H 38 8.852 8.642 0.210 1
1 465 . 11 1 1 A 38 38 SER HA H 38 4.600 4.693 -0.093 1
1 468 . 11 1 1 A 38 38 SER C C 38 174.950 175.996 -1.046 1
1 469 . 11 1 1 A 38 38 SER CA C 38 58.147 57.781 0.366 1
1 470 . 11 1 1 A 38 38 SER CB C 38 65.224 65.321 -0.097 1
1 471 . 11 1 1 A 38 38 SER N N 38 122.752 121.191 1.561 1
1 472 . 11 1 1 A 39 39 THR H H 39 8.870 8.873 -0.003 1
1 473 . 11 1 1 A 39 39 THR HA H 39 4.153 4.058 0.095 1
1 478 . 11 1 1 A 39 39 THR C C 39 177.855 176.270 1.585 1
1 479 . 11 1 1 A 39 39 THR CA C 39 66.299 66.841 -0.542 1
1 480 . 11 1 1 A 39 39 THR CB C 39 68.559 68.745 -0.186 1
1 482 . 11 1 1 A 39 39 THR N N 39 116.391 116.725 -0.334 1
1 483 . 11 1 1 A 40 40 VAL H H 40 8.018 8.196 -0.178 1
1 484 . 11 1 1 A 40 40 VAL HA H 40 4.028 3.602 0.426 1
1 492 . 11 1 1 A 40 40 VAL C C 40 178.339 176.819 1.520 1
1 493 . 11 1 1 A 40 40 VAL CA C 40 65.776 66.732 -0.956 1
1 494 . 11 1 1 A 40 40 VAL CB C 40 32.139 31.791 0.348 1
1 497 . 11 1 1 A 40 40 VAL N N 40 121.035 122.063 -1.028 1
1 498 . 11 1 1 A 41 41 ASP H H 41 7.610 8.451 -0.841 1
1 499 . 11 1 1 A 41 41 ASP HA H 41 4.570 4.391 0.179 1
1 502 . 11 1 1 A 41 41 ASP C C 41 178.746 179.713 -0.967 1
1 503 . 11 1 1 A 41 41 ASP CA C 41 57.492 56.858 0.634 1
1 504 . 11 1 1 A 41 41 ASP CB C 41 39.740 40.423 -0.683 1
1 505 . 11 1 1 A 41 41 ASP N N 41 124.108 118.952 5.156 1
1 506 . 11 1 1 A 42 42 GLY H H 42 9.363 8.572 0.791 1
1 507 . 11 1 1 A 42 42 GLY HA2 H 42 4.186 3.528 0.658 1
1 508 . 11 1 1 A 42 42 GLY HA3 H 42 3.584 3.906 -0.322 1
1 509 . 11 1 1 A 42 42 GLY C C 42 175.329 176.461 -1.132 1
1 510 . 11 1 1 A 42 42 GLY CA C 42 46.944 47.196 -0.252 1
1 511 . 11 1 1 A 42 42 GLY N N 42 109.572 109.528 0.044 1
1 512 . 11 1 1 A 43 43 ALA H H 43 7.949 8.196 -0.247 1
1 513 . 11 1 1 A 43 43 ALA HA H 43 4.240 4.082 0.158 1
1 517 . 11 1 1 A 43 43 ALA C C 43 180.375 179.528 0.847 1
1 518 . 11 1 1 A 43 43 ALA CA C 43 54.897 54.785 0.112 1
1 519 . 11 1 1 A 43 43 ALA CB C 43 17.895 18.291 -0.396 1
1 520 . 11 1 1 A 43 43 ALA N N 43 123.561 124.676 -1.115 1
1 521 . 11 1 1 A 44 44 PHE H H 44 7.337 8.171 -0.834 1
1 522 . 11 1 1 A 44 44 PHE HA H 44 3.957 4.214 -0.257 1
1 530 . 11 1 1 A 44 44 PHE C C 44 177.252 176.682 0.570 1
1 531 . 11 1 1 A 44 44 PHE CA C 44 61.508 61.458 0.050 1
1 532 . 11 1 1 A 44 44 PHE CB C 44 38.993 39.372 -0.379 1
1 538 . 11 1 1 A 44 44 PHE N N 44 118.542 120.285 -1.743 1
1 539 . 11 1 1 A 45 45 LEU H H 45 8.301 7.839 0.462 1
1 540 . 11 1 1 A 45 45 LEU HA H 45 3.741 3.630 0.111 1
1 550 . 11 1 1 A 45 45 LEU C C 45 178.847 178.778 0.069 1
1 551 . 11 1 1 A 45 45 LEU CA C 45 57.643 57.721 -0.078 1
1 552 . 11 1 1 A 45 45 LEU CB C 45 41.274 41.144 0.130 1
1 556 . 11 1 1 A 45 45 LEU N N 45 119.345 119.943 -0.598 1
1 557 . 11 1 1 A 46 46 VAL H H 46 8.562 8.076 0.486 1
1 558 . 11 1 1 A 46 46 VAL HA H 46 3.759 3.540 0.219 1
1 566 . 11 1 1 A 46 46 VAL C C 46 177.077 177.697 -0.620 1
1 567 . 11 1 1 A 46 46 VAL CA C 46 67.081 66.996 0.085 1
1 568 . 11 1 1 A 46 46 VAL CB C 46 31.639 31.459 0.180 1
1 571 . 11 1 1 A 46 46 VAL N N 46 118.458 118.737 -0.279 1
1 572 . 11 1 1 A 47 47 GLU H H 47 6.896 8.454 -1.558 1
1 573 . 11 1 1 A 47 47 GLU HA H 47 4.019 3.915 0.104 1
1 578 . 11 1 1 A 47 47 GLU C C 47 179.738 178.728 1.010 1
1 579 . 11 1 1 A 47 47 GLU CA C 47 58.582 59.467 -0.885 1
1 580 . 11 1 1 A 47 47 GLU CB C 47 29.029 29.296 -0.267 1
1 582 . 11 1 1 A 47 47 GLU N N 47 117.916 118.989 -1.073 1
1 583 . 11 1 1 A 48 48 ALA H H 48 8.310 7.854 0.456 1
1 584 . 11 1 1 A 48 48 ALA HA H 48 3.761 4.022 -0.261 1
1 588 . 11 1 1 A 48 48 ALA C C 48 179.636 179.025 0.611 1
1 589 . 11 1 1 A 48 48 ALA CA C 48 55.769 54.929 0.840 1
1 590 . 11 1 1 A 48 48 ALA CB C 48 17.370 18.324 -0.954 1
1 591 . 11 1 1 A 48 48 ALA N N 48 123.600 122.170 1.430 1
1 592 . 11 1 1 A 49 49 LEU H H 49 8.724 8.034 0.690 1
1 593 . 11 1 1 A 49 49 LEU HA H 49 3.924 4.056 -0.132 1
1 603 . 11 1 1 A 49 49 LEU C C 49 178.188 178.871 -0.683 1
1 604 . 11 1 1 A 49 49 LEU CA C 49 57.387 57.300 0.087 1
1 605 . 11 1 1 A 49 49 LEU CB C 49 41.780 41.329 0.451 1
1 609 . 11 1 1 A 49 49 LEU N N 49 119.812 120.374 -0.562 1
1 610 . 11 1 1 A 50 50 LYS H H 50 7.421 8.169 -0.748 1
1 611 . 11 1 1 A 50 50 LYS HA H 50 3.856 3.799 0.057 1
1 620 . 11 1 1 A 50 50 LYS C C 50 177.592 178.143 -0.551 1
1 621 . 11 1 1 A 50 50 LYS CA C 50 59.345 60.442 -1.097 1
1 622 . 11 1 1 A 50 50 LYS CB C 50 32.757 32.126 0.631 1
1 626 . 11 1 1 A 50 50 LYS N N 50 115.568 119.180 -3.612 1
1 627 . 11 1 1 A 51 51 ARG H H 51 7.787 7.733 0.054 1
1 628 . 11 1 1 A 51 51 ARG HA H 51 4.356 4.204 0.152 1
1 635 . 11 1 1 A 51 51 ARG C C 51 176.424 174.979 1.445 1
1 636 . 11 1 1 A 51 51 ARG CA C 51 55.690 56.256 -0.566 1
1 637 . 11 1 1 A 51 51 ARG CB C 51 30.227 29.575 0.652 1
1 640 . 11 1 1 A 51 51 ARG N N 51 115.686 115.698 -0.012 1
1 641 . 11 1 1 A 52 52 HIS H H 52 8.159 7.548 0.611 1
1 642 . 11 1 1 A 52 52 HIS HA H 52 4.512 4.942 -0.430 1
1 646 . 11 1 1 A 52 52 HIS C C 52 175.409 174.956 0.453 1
1 647 . 11 1 1 A 52 52 HIS CA C 52 56.087 53.707 2.380 1
1 648 . 11 1 1 A 52 52 HIS CB C 52 32.904 32.666 0.238 1
1 650 . 11 1 1 A 52 52 HIS N N 52 125.025 118.232 6.793 1
1 651 . 11 1 1 A 53 53 PRO HA H 53 4.341 4.328 0.013 1
1 658 . 11 1 1 A 53 53 PRO CA C 53 65.210 65.124 0.086 1
1 659 . 11 1 1 A 53 53 PRO CB C 53 31.791 31.868 -0.077 1
1 662 . 11 1 1 A 54 54 ASP H H 54 8.058 8.645 -0.587 1
1 663 . 11 1 1 A 54 54 ASP HA H 54 5.184 4.559 0.625 1
1 666 . 11 1 1 A 54 54 ASP C C 54 176.079 177.524 -1.445 1
1 667 . 11 1 1 A 54 54 ASP CA C 54 52.778 55.614 -2.836 1
1 668 . 11 1 1 A 54 54 ASP CB C 54 41.573 40.710 0.863 1
1 669 . 11 1 1 A 55 55 ALA H H 55 7.731 8.038 -0.307 1
1 670 . 11 1 1 A 55 55 ALA HA H 55 3.589 4.007 -0.418 1
1 674 . 11 1 1 A 55 55 ALA C C 55 178.550 179.837 -1.287 1
1 675 . 11 1 1 A 55 55 ALA CA C 55 57.024 55.295 1.729 1
1 676 . 11 1 1 A 55 55 ALA CB C 55 20.320 18.669 1.651 1
1 677 . 11 1 1 A 55 55 ALA N N 55 122.261 122.535 -0.274 1
1 678 . 11 1 1 A 56 56 THR H H 56 8.405 8.208 0.197 1
1 679 . 11 1 1 A 56 56 THR HA H 56 3.804 3.944 -0.140 1
1 684 . 11 1 1 A 56 56 THR C C 56 177.743 177.070 0.673 1
1 685 . 11 1 1 A 56 56 THR CA C 56 67.024 65.415 1.609 1
1 686 . 11 1 1 A 56 56 THR CB C 56 68.257 68.921 -0.664 1
1 688 . 11 1 1 A 56 56 THR N N 56 110.600 113.176 -2.576 1
1 689 . 11 1 1 A 57 57 SER H H 57 7.907 7.999 -0.092 1
1 690 . 11 1 1 A 57 57 SER HA H 57 4.251 4.257 -0.006 1
1 693 . 11 1 1 A 57 57 SER C C 57 176.547 176.456 0.091 1
1 694 . 11 1 1 A 57 57 SER CA C 57 60.395 61.191 -0.796 1
1 695 . 11 1 1 A 57 57 SER CB C 57 62.766 62.906 -0.140 1
1 696 . 11 1 1 A 57 57 SER N N 57 117.623 116.339 1.284 1
1 697 . 11 1 1 A 58 58 LYS H H 58 8.180 8.206 -0.026 1
1 698 . 11 1 1 A 58 58 LYS HA H 58 3.687 4.206 -0.519 1
1 707 . 11 1 1 A 58 58 LYS C C 58 178.074 176.941 1.133 1
1 708 . 11 1 1 A 58 58 LYS CA C 58 58.090 57.479 0.611 1
1 709 . 11 1 1 A 58 58 LYS CB C 58 32.328 32.047 0.281 1
1 713 . 11 1 1 A 58 58 LYS N N 58 120.772 119.969 0.803 1
1 714 . 11 1 1 A 59 59 ILE H H 59 8.407 8.007 0.400 1
1 715 . 11 1 1 A 59 59 ILE HA H 59 3.336 4.190 -0.854 1
1 725 . 11 1 1 A 59 59 ILE C C 59 176.705 177.015 -0.310 1
1 726 . 11 1 1 A 59 59 ILE CA C 59 64.224 62.604 1.620 1
1 727 . 11 1 1 A 59 59 ILE CB C 59 38.989 38.964 0.025 1
1 731 . 11 1 1 A 59 59 ILE N N 59 119.024 116.951 2.073 1
1 732 . 11 1 1 A 60 60 GLY H H 60 7.360 7.951 -0.591 1
1 733 . 11 1 1 A 60 60 GLY HA2 H 60 3.884 3.934 -0.050 1
1 734 . 11 1 1 A 60 60 GLY HA3 H 60 3.614 3.936 -0.322 1
1 735 . 11 1 1 A 60 60 GLY C C 60 173.964 174.736 -0.772 1
1 736 . 11 1 1 A 60 60 GLY CA C 60 44.586 46.444 -1.858 1
1 737 . 11 1 1 A 60 60 GLY N N 60 106.081 109.984 -3.903 1
1 738 . 11 1 1 A 61 61 PRO HA H 61 4.486 4.412 0.074 1
1 745 . 11 1 1 A 61 61 PRO C C 61 175.603 176.353 -0.750 1
1 746 . 11 1 1 A 61 61 PRO CA C 61 63.473 64.738 -1.265 1
1 747 . 11 1 1 A 61 61 PRO CB C 61 31.981 32.164 -0.183 1
1 750 . 11 1 1 A 62 62 GLY H H 62 7.835 7.313 0.522 1
1 751 . 11 1 1 A 62 62 GLY HA2 H 62 4.378 4.034 0.344 1
1 752 . 11 1 1 A 62 62 GLY HA3 H 62 3.416 4.035 -0.619 1
1 753 . 11 1 1 A 62 62 GLY C C 62 172.596 171.180 1.416 1
1 754 . 11 1 1 A 62 62 GLY CA C 62 44.498 45.497 -0.999 1
1 755 . 11 1 1 A 62 62 GLY N N 62 110.214 102.452 7.762 1
1 756 . 11 1 1 A 63 63 VAL H H 63 8.646 8.356 0.290 1
1 757 . 11 1 1 A 63 63 VAL HA H 63 3.668 4.660 -0.992 1
1 765 . 11 1 1 A 63 63 VAL C C 63 175.808 175.737 0.071 1
1 766 . 11 1 1 A 63 63 VAL CA C 63 63.681 60.876 2.805 1
1 767 . 11 1 1 A 63 63 VAL CB C 63 32.863 33.754 -0.891 1
1 770 . 11 1 1 A 63 63 VAL N N 63 122.735 120.560 2.175 1
1 771 . 11 1 1 A 64 64 ARG H H 64 9.524 9.266 0.258 1
1 772 . 11 1 1 A 64 64 ARG HA H 64 4.254 4.278 -0.024 1
1 779 . 11 1 1 A 64 64 ARG C C 64 175.574 175.912 -0.338 1
1 780 . 11 1 1 A 64 64 ARG CA C 64 57.310 57.552 -0.242 1
1 781 . 11 1 1 A 64 64 ARG CB C 64 31.928 31.129 0.799 1
1 784 . 11 1 1 A 64 64 ARG N N 64 129.782 128.554 1.228 1
1 785 . 11 1 1 A 65 65 ASN H H 65 8.089 7.169 0.920 1
1 786 . 11 1 1 A 65 65 ASN HA H 65 4.662 4.920 -0.258 1
1 791 . 11 1 1 A 65 65 ASN C C 65 171.753 172.006 -0.253 1
1 792 . 11 1 1 A 65 65 ASN CA C 65 53.279 51.984 1.295 1
1 793 . 11 1 1 A 65 65 ASN CB C 65 43.717 39.951 3.766 1
1 794 . 11 1 1 A 65 65 ASN N N 65 114.163 112.313 1.850 1
1 796 . 11 1 1 A 66 66 PHE H H 66 9.064 8.674 0.390 1
1 797 . 11 1 1 A 66 66 PHE HA H 66 5.738 5.517 0.221 1
1 805 . 11 1 1 A 66 66 PHE C C 66 174.834 174.234 0.600 1
1 806 . 11 1 1 A 66 66 PHE CA C 66 56.578 56.199 0.379 1
1 807 . 11 1 1 A 66 66 PHE CB C 66 41.888 43.012 -1.124 1
1 813 . 11 1 1 A 66 66 PHE N N 66 114.774 116.349 -1.575 1
1 814 . 11 1 1 A 67 67 GLU H H 67 9.328 9.417 -0.089 1
1 815 . 11 1 1 A 67 67 GLU HA H 67 5.307 5.139 0.168 1
1 820 . 11 1 1 A 67 67 GLU C C 67 174.999 175.080 -0.081 1
1 821 . 11 1 1 A 67 67 GLU CA C 67 54.003 54.872 -0.869 1
1 822 . 11 1 1 A 67 67 GLU CB C 67 35.678 33.510 2.168 1
1 824 . 11 1 1 A 67 67 GLU N N 67 122.005 122.081 -0.076 1
1 825 . 11 1 1 A 68 68 VAL H H 68 8.598 8.870 -0.272 1
1 826 . 11 1 1 A 68 68 VAL HA H 68 4.859 4.332 0.527 1
1 834 . 11 1 1 A 68 68 VAL C C 68 175.361 175.015 0.346 1
1 835 . 11 1 1 A 68 68 VAL CA C 68 62.102 62.240 -0.138 1
1 836 . 11 1 1 A 68 68 VAL CB C 68 32.865 31.254 1.611 1
1 839 . 11 1 1 A 68 68 VAL N N 68 124.692 127.444 -2.752 1
1 840 . 11 1 1 A 69 69 ARG H H 69 8.896 8.898 -0.002 1
1 841 . 11 1 1 A 69 69 ARG HA H 69 4.888 5.054 -0.166 1
1 848 . 11 1 1 A 69 69 ARG C C 69 175.469 175.634 -0.165 1
1 849 . 11 1 1 A 69 69 ARG CA C 69 54.384 53.846 0.538 1
1 850 . 11 1 1 A 69 69 ARG CB C 69 34.979 33.816 1.163 1
1 853 . 11 1 1 A 69 69 ARG N N 69 123.599 129.257 -5.658 1
1 854 . 11 1 1 A 70 70 SER H H 70 8.758 8.977 -0.219 1
1 855 . 11 1 1 A 70 70 SER HA H 70 4.511 4.658 -0.147 1
1 858 . 11 1 1 A 70 70 SER C C 70 173.488 174.315 -0.827 1
1 859 . 11 1 1 A 70 70 SER CA C 70 59.858 58.097 1.761 1
1 860 . 11 1 1 A 70 70 SER CB C 70 63.927 63.841 0.086 1
1 861 . 11 1 1 A 70 70 SER N N 70 116.239 118.004 -1.765 1
1 862 . 11 1 1 A 71 71 ALA H H 71 8.456 8.874 -0.418 1
1 863 . 11 1 1 A 71 71 ALA HA H 71 4.688 4.441 0.247 1
1 867 . 11 1 1 A 71 71 ALA C C 71 176.054 176.265 -0.211 1
1 868 . 11 1 1 A 71 71 ALA CA C 71 51.016 54.206 -3.190 1
1 869 . 11 1 1 A 71 71 ALA CB C 71 20.324 19.194 1.130 1
1 870 . 11 1 1 A 71 71 ALA N N 71 128.999 124.957 4.042 1
1 871 . 11 1 1 A 72 72 ASP H H 72 7.968 8.327 -0.359 1
1 872 . 11 1 1 A 72 72 ASP HA H 72 4.361 4.874 -0.513 1
1 875 . 11 1 1 A 72 72 ASP C C 72 176.444 176.438 0.006 1
1 876 . 11 1 1 A 72 72 ASP CA C 72 54.732 52.831 1.901 1
1 877 . 11 1 1 A 72 72 ASP CB C 72 41.060 43.644 -2.584 1
1 878 . 11 1 1 A 72 72 ASP N N 72 118.176 116.539 1.637 1
1 879 . 11 1 1 A 73 73 TYR H H 73 8.768 8.801 -0.033 1
1 880 . 11 1 1 A 73 73 TYR HA H 73 4.309 4.251 0.058 1
1 887 . 11 1 1 A 73 73 TYR C C 73 176.601 177.297 -0.696 1
1 888 . 11 1 1 A 73 73 TYR CA C 73 58.799 60.254 -1.455 1
1 889 . 11 1 1 A 73 73 TYR CB C 73 36.239 37.865 -1.626 1
1 894 . 11 1 1 A 73 73 TYR N N 73 117.846 120.217 -2.371 1
1 895 . 11 1 1 A 74 74 GLY H H 74 8.533 7.667 0.866 1
1 896 . 11 1 1 A 74 74 GLY HA2 H 74 4.069 4.083 -0.014 1
1 897 . 11 1 1 A 74 74 GLY HA3 H 74 3.844 4.093 -0.249 1
1 898 . 11 1 1 A 74 74 GLY C C 74 175.060 173.788 1.272 1
1 899 . 11 1 1 A 74 74 GLY CA C 74 46.117 45.798 0.319 1
1 900 . 11 1 1 A 74 74 GLY N N 74 108.255 105.448 2.807 1
1 901 . 11 1 1 A 75 75 THR H H 75 7.534 7.763 -0.229 1
1 902 . 11 1 1 A 75 75 THR HA H 75 4.687 5.087 -0.400 1
1 907 . 11 1 1 A 75 75 THR C C 75 173.779 172.885 0.894 1
1 908 . 11 1 1 A 75 75 THR CA C 75 61.115 59.746 1.369 1
1 909 . 11 1 1 A 75 75 THR CB C 75 71.585 72.610 -1.025 1
1 911 . 11 1 1 A 75 75 THR N N 75 111.431 110.576 0.855 1
1 912 . 11 1 1 A 76 76 GLN H H 76 8.590 8.707 -0.117 1
1 913 . 11 1 1 A 76 76 GLN HA H 76 5.238 5.203 0.035 1
1 920 . 11 1 1 A 76 76 GLN C C 76 173.605 175.180 -1.575 1
1 921 . 11 1 1 A 76 76 GLN CA C 76 54.556 54.314 0.242 1
1 922 . 11 1 1 A 76 76 GLN CB C 76 31.657 31.597 0.060 1
1 924 . 11 1 1 A 76 76 GLN N N 76 117.495 120.599 -3.104 1
1 926 . 11 1 1 A 77 77 CYS H H 77 9.058 8.755 0.303 1
1 927 . 11 1 1 A 77 77 CYS HA H 77 4.780 5.075 -0.295 1
1 930 . 11 1 1 A 77 77 CYS C C 77 172.371 172.991 -0.620 1
1 931 . 11 1 1 A 77 77 CYS CA C 77 56.886 56.871 0.015 1
1 932 . 11 1 1 A 77 77 CYS CB C 77 31.492 31.341 0.151 1
1 933 . 11 1 1 A 77 77 CYS N N 77 114.572 117.993 -3.421 1
1 934 . 11 1 1 A 78 78 PHE H H 78 8.872 8.996 -0.124 1
1 935 . 11 1 1 A 78 78 PHE HA H 78 5.419 5.107 0.312 1
1 943 . 11 1 1 A 78 78 PHE CA C 78 58.466 56.513 1.953 1
1 944 . 11 1 1 A 78 78 PHE CB C 78 42.360 39.245 3.115 1
1 950 . 11 1 1 A 78 78 PHE N N 78 120.396 122.460 -2.064 1
1 951 . 11 1 1 A 79 79 TRP H H 79 10.003 9.534 0.469 1
1 952 . 11 1 1 A 79 79 TRP HA H 79 4.907 5.330 -0.423 1
1 961 . 11 1 1 A 79 79 TRP CA C 79 57.535 56.511 1.024 1
1 962 . 11 1 1 A 79 79 TRP CB C 79 30.788 31.197 -0.409 1
1 968 . 11 1 1 A 79 79 TRP N N 79 120.993 124.814 -3.821 1
1 970 . 11 1 1 A 80 80 ILE H H 80 9.669 9.667 0.002 1
1 971 . 11 1 1 A 80 80 ILE HA H 80 3.773 4.303 -0.530 1
1 981 . 11 1 1 A 80 80 ILE C C 80 174.675 175.330 -0.655 1
1 982 . 11 1 1 A 80 80 ILE CA C 80 61.505 60.667 0.838 1
1 983 . 11 1 1 A 80 80 ILE CB C 80 40.765 37.855 2.910 1
1 987 . 11 1 1 A 80 80 ILE N N 80 122.205 124.868 -2.663 1
1 988 . 11 1 1 A 81 81 LEU H H 81 8.489 8.846 -0.357 1
1 989 . 11 1 1 A 81 81 LEU HA H 81 5.037 4.698 0.339 1
1 999 . 11 1 1 A 81 81 LEU C C 81 177.301 175.961 1.340 1
1 1000 . 11 1 1 A 81 81 LEU CA C 81 53.483 54.388 -0.905 1
1 1001 . 11 1 1 A 81 81 LEU CB C 81 40.344 40.845 -0.501 1
1 1005 . 11 1 1 A 81 81 LEU N N 81 127.849 129.098 -1.249 1
1 1006 . 11 1 1 A 82 82 ARG H H 82 8.980 8.162 0.818 1
1 1007 . 11 1 1 A 82 82 ARG HA H 82 5.127 4.297 0.830 1
1 1014 . 11 1 1 A 82 82 ARG C C 82 179.527 177.604 1.923 1
1 1015 . 11 1 1 A 82 82 ARG CA C 82 57.410 56.756 0.654 1
1 1016 . 11 1 1 A 82 82 ARG CB C 82 31.995 30.651 1.344 1
1 1019 . 11 1 1 A 82 82 ARG N N 82 121.829 124.682 -2.853 1
1 1020 . 11 1 1 A 83 83 THR H H 83 8.427 9.029 -0.602 1
1 1021 . 11 1 1 A 83 83 THR HA H 83 3.823 4.092 -0.269 1
1 1026 . 11 1 1 A 83 83 THR C C 83 174.540 176.280 -1.740 1
1 1027 . 11 1 1 A 83 83 THR CA C 83 64.441 64.760 -0.319 1
1 1028 . 11 1 1 A 83 83 THR CB C 83 67.987 68.611 -0.624 1
1 1030 . 11 1 1 A 83 83 THR N N 83 111.631 117.212 -5.581 1
1 1031 . 11 1 1 A 84 84 ASP H H 84 7.431 7.909 -0.478 1
1 1032 . 11 1 1 A 84 84 ASP HA H 84 4.706 4.553 0.153 1
1 1035 . 11 1 1 A 84 84 ASP C C 84 177.092 176.191 0.901 1
1 1036 . 11 1 1 A 84 84 ASP CA C 84 52.983 54.838 -1.855 1
1 1037 . 11 1 1 A 84 84 ASP CB C 84 40.502 41.310 -0.808 1
1 1038 . 11 1 1 A 84 84 ASP N N 84 117.630 121.679 -4.049 1
1 1039 . 11 1 1 A 85 85 GLY H H 85 7.924 8.836 -0.912 1
1 1040 . 11 1 1 A 85 85 GLY HA2 H 85 3.741 3.887 -0.146 1
1 1041 . 11 1 1 A 85 85 GLY HA3 H 85 4.364 3.890 0.474 1
1 1042 . 11 1 1 A 85 85 GLY C C 85 174.007 173.514 0.493 1
1 1043 . 11 1 1 A 85 85 GLY CA C 85 45.370 45.504 -0.134 1
1 1044 . 11 1 1 A 85 85 GLY N N 85 108.078 107.849 0.229 1
1 1045 . 11 1 1 A 86 86 SER H H 86 8.009 7.737 0.272 1
1 1046 . 11 1 1 A 86 86 SER HA H 86 4.563 5.003 -0.440 1
1 1049 . 11 1 1 A 86 86 SER C C 86 172.835 173.500 -0.665 1
1 1050 . 11 1 1 A 86 86 SER CA C 86 58.731 57.439 1.292 1
1 1051 . 11 1 1 A 86 86 SER CB C 86 64.803 66.903 -2.100 1
1 1052 . 11 1 1 A 86 86 SER N N 86 117.029 114.894 2.135 1
1 1053 . 11 1 1 A 87 87 GLU H H 87 8.593 8.823 -0.230 1
1 1054 . 11 1 1 A 87 87 GLU HA H 87 5.921 5.086 0.835 1
1 1059 . 11 1 1 A 87 87 GLU C C 87 175.873 175.522 0.351 1
1 1060 . 11 1 1 A 87 87 GLU CA C 87 54.343 55.628 -1.285 1
1 1061 . 11 1 1 A 87 87 GLU CB C 87 33.925 31.392 2.533 1
1 1063 . 11 1 1 A 87 87 GLU N N 87 116.585 124.227 -7.642 1
1 1064 . 11 1 1 A 88 88 GLU HA H 88 4.496 4.912 -0.416 1
1 1069 . 11 1 1 A 88 88 GLU CA C 88 55.840 56.116 -0.276 1
1 1070 . 11 1 1 A 88 88 GLU CB C 88 34.310 34.208 0.102 1
1 1072 . 11 1 1 A 89 89 ARG H H 89 8.013 8.429 -0.416 1
1 1073 . 11 1 1 A 89 89 ARG HA H 89 3.184 4.821 -1.637 1
1 1080 . 11 1 1 A 89 89 ARG CA C 89 56.576 54.553 2.023 1
1 1081 . 11 1 1 A 89 89 ARG CB C 89 30.462 32.207 -1.745 1
1 1084 . 11 1 1 A 89 89 ARG N N 89 127.945 123.431 4.514 1
1 1085 . 11 1 1 A 90 90 PHE HA H 90 5.021 5.488 -0.467 1
1 1093 . 11 1 1 A 90 90 PHE CA C 90 55.089 55.437 -0.348 1
1 1094 . 11 1 1 A 90 90 PHE CB C 90 40.446 42.409 -1.963 1
1 1100 . 11 1 1 A 91 91 SER HA H 91 4.639 4.280 0.359 1
1 1103 . 11 1 1 A 91 91 SER CA C 91 56.242 57.239 -0.997 1
1 1104 . 11 1 1 A 91 91 SER CB C 91 62.621 60.962 1.659 1
1 1105 . 11 1 1 A 92 92 TYR HA H 92 4.268 4.166 0.102 1
1 1112 . 11 1 1 A 92 92 TYR C C 92 176.450 176.983 -0.533 1
1 1113 . 11 1 1 A 92 92 TYR CA C 92 59.575 60.972 -1.397 1
1 1114 . 11 1 1 A 92 92 TYR CB C 92 37.283 37.755 -0.472 1
1 1119 . 11 1 1 A 93 93 LYS H H 93 7.405 7.666 -0.261 1
1 1120 . 11 1 1 A 93 93 LYS HA H 93 3.749 3.968 -0.219 1
1 1129 . 11 1 1 A 93 93 LYS C C 93 177.715 177.354 0.361 1
1 1130 . 11 1 1 A 93 93 LYS CA C 93 58.446 58.354 0.092 1
1 1131 . 11 1 1 A 93 93 LYS CB C 93 31.822 31.287 0.535 1
1 1135 . 11 1 1 A 93 93 LYS N N 93 120.689 118.338 2.351 1
1 1136 . 11 1 1 A 94 94 LYS H H 94 7.405 7.230 0.175 1
1 1137 . 11 1 1 A 94 94 LYS HA H 94 4.079 4.210 -0.131 1
1 1146 . 11 1 1 A 94 94 LYS C C 94 176.709 175.895 0.814 1
1 1147 . 11 1 1 A 94 94 LYS CA C 94 56.479 56.641 -0.162 1
1 1148 . 11 1 1 A 94 94 LYS CB C 94 32.760 32.482 0.278 1
1 1152 . 11 1 1 A 94 94 LYS N N 94 115.712 116.759 -1.047 1
1 1153 . 11 1 1 A 95 95 CYS H H 95 7.537 7.367 0.170 1
1 1154 . 11 1 1 A 95 95 CYS HA H 95 3.937 4.699 -0.762 1
1 1157 . 11 1 1 A 95 95 CYS C C 95 173.487 174.358 -0.871 1
1 1158 . 11 1 1 A 95 95 CYS CA C 95 61.795 58.040 3.755 1
1 1159 . 11 1 1 A 95 95 CYS CB C 95 27.546 26.187 1.359 1
1 1160 . 11 1 1 A 95 95 CYS N N 95 115.586 120.391 -4.805 1
1 1161 . 11 1 1 A 96 96 VAL HA H 96 4.154 4.185 -0.031 1
1 1169 . 11 1 1 A 96 96 VAL C C 96 175.216 175.822 -0.606 1
1 1170 . 11 1 1 A 96 96 VAL CA C 96 61.916 63.549 -1.633 1
1 1171 . 11 1 1 A 96 96 VAL CB C 96 31.695 32.921 -1.226 1
1 1174 . 11 1 1 A 97 97 LEU H H 97 8.002 7.430 0.572 1
1 1175 . 11 1 1 A 97 97 LEU HA H 97 4.316 4.474 -0.158 1
1 1185 . 11 1 1 A 97 97 LEU C C 97 176.168 174.858 1.310 1
1 1186 . 11 1 1 A 97 97 LEU CA C 97 54.770 53.775 0.995 1
1 1187 . 11 1 1 A 97 97 LEU CB C 97 42.558 45.087 -2.529 1
1 1191 . 11 1 1 A 97 97 LEU N N 97 124.364 117.915 6.449 1
1 1192 . 11 1 1 A 98 98 GLU H H 98 8.345 8.620 -0.275 1
1 1193 . 11 1 1 A 98 98 GLU HA H 98 4.301 4.265 0.036 1
1 1198 . 11 1 1 A 98 98 GLU C C 98 175.732 176.226 -0.494 1
1 1199 . 11 1 1 A 98 98 GLU CA C 98 55.988 56.922 -0.934 1
1 1200 . 11 1 1 A 98 98 GLU CB C 98 30.989 29.889 1.100 1
1 1 . 12 1 1 A 2 2 ALA HA H 2 4.102 4.184 -0.082 1
1 5 . 12 1 1 A 2 2 ALA CA C 2 51.775 52.193 -0.418 1
1 6 . 12 1 1 A 2 2 ALA CB C 2 19.665 18.333 1.332 1
1 7 . 12 1 1 A 3 3 LYS HA H 3 4.329 4.858 -0.529 1
1 15 . 12 1 1 A 3 3 LYS C C 3 176.086 175.812 0.274 1
1 16 . 12 1 1 A 3 3 LYS CA C 3 56.354 54.414 1.940 1
1 17 . 12 1 1 A 3 3 LYS CB C 3 33.325 36.159 -2.834 1
1 21 . 12 1 1 A 4 4 ALA H H 4 8.515 8.460 0.055 1
1 22 . 12 1 1 A 4 4 ALA HA H 4 4.356 4.376 -0.020 1
1 26 . 12 1 1 A 4 4 ALA C C 4 177.307 176.702 0.605 1
1 27 . 12 1 1 A 4 4 ALA CA C 4 52.316 51.994 0.322 1
1 28 . 12 1 1 A 4 4 ALA CB C 4 19.421 17.913 1.508 1
1 29 . 12 1 1 A 4 4 ALA N N 4 126.866 124.105 2.761 1
1 30 . 12 1 1 A 5 5 GLN H H 5 8.521 8.493 0.028 1
1 31 . 12 1 1 A 5 5 GLN HA H 5 4.652 4.760 -0.108 1
1 38 . 12 1 1 A 5 5 GLN C C 5 173.576 173.492 0.084 1
1 39 . 12 1 1 A 5 5 GLN CA C 5 53.470 52.186 1.284 1
1 40 . 12 1 1 A 5 5 GLN CB C 5 29.457 29.626 -0.169 1
1 42 . 12 1 1 A 5 5 GLN N N 5 122.182 122.682 -0.500 1
1 44 . 12 1 1 A 6 6 PRO HA H 6 4.587 4.571 0.016 1
1 51 . 12 1 1 A 6 6 PRO C C 6 176.481 176.167 0.314 1
1 52 . 12 1 1 A 6 6 PRO CA C 6 63.028 62.502 0.526 1
1 53 . 12 1 1 A 6 6 PRO CB C 6 32.905 32.180 0.725 1
1 56 . 12 1 1 A 7 7 ILE H H 7 8.581 8.851 -0.270 1
1 57 . 12 1 1 A 7 7 ILE HA H 7 4.245 4.350 -0.105 1
1 67 . 12 1 1 A 7 7 ILE C C 7 174.129 174.957 -0.828 1
1 68 . 12 1 1 A 7 7 ILE CA C 7 60.613 60.701 -0.088 1
1 69 . 12 1 1 A 7 7 ILE CB C 7 40.266 36.937 3.329 1
1 73 . 12 1 1 A 7 7 ILE N N 7 120.418 122.474 -2.056 1
1 74 . 12 1 1 A 8 8 GLU H H 8 8.572 8.513 0.059 1
1 75 . 12 1 1 A 8 8 GLU HA H 8 5.363 4.695 0.668 1
1 80 . 12 1 1 A 8 8 GLU C C 8 175.806 175.169 0.637 1
1 81 . 12 1 1 A 8 8 GLU CA C 8 54.749 55.864 -1.115 1
1 82 . 12 1 1 A 8 8 GLU CB C 8 31.505 30.441 1.064 1
1 84 . 12 1 1 A 8 8 GLU N N 8 128.440 128.200 0.240 1
1 85 . 12 1 1 A 9 9 ILE H H 9 8.591 9.036 -0.445 1
1 86 . 12 1 1 A 9 9 ILE HA H 9 4.111 4.408 -0.297 1
1 96 . 12 1 1 A 9 9 ILE C C 9 174.977 176.080 -1.103 1
1 97 . 12 1 1 A 9 9 ILE CA C 9 60.967 60.086 0.881 1
1 98 . 12 1 1 A 9 9 ILE CB C 9 41.559 39.718 1.841 1
1 102 . 12 1 1 A 9 9 ILE N N 9 123.957 127.886 -3.929 1
1 103 . 12 1 1 A 10 10 ALA H H 10 9.398 9.139 0.259 1
1 104 . 12 1 1 A 10 10 ALA HA H 10 4.072 4.054 0.018 1
1 108 . 12 1 1 A 10 10 ALA C C 10 177.026 176.953 0.073 1
1 109 . 12 1 1 A 10 10 ALA CA C 10 52.646 53.411 -0.765 1
1 110 . 12 1 1 A 10 10 ALA CB C 10 18.121 17.951 0.170 1
1 111 . 12 1 1 A 10 10 ALA N N 10 130.074 131.884 -1.810 1
1 112 . 12 1 1 A 11 11 GLY H H 11 8.958 8.305 0.653 1
1 113 . 12 1 1 A 11 11 GLY HA2 H 11 4.046 3.817 0.229 1
1 114 . 12 1 1 A 11 11 GLY HA3 H 11 3.570 3.818 -0.248 1
1 115 . 12 1 1 A 11 11 GLY C C 11 174.139 174.522 -0.383 1
1 116 . 12 1 1 A 11 11 GLY CA C 11 45.467 45.150 0.317 1
1 117 . 12 1 1 A 11 11 GLY N N 11 105.460 102.958 2.502 1
1 118 . 12 1 1 A 12 12 HIS H H 12 8.189 7.993 0.196 1
1 119 . 12 1 1 A 12 12 HIS HA H 12 4.325 4.253 0.072 1
1 124 . 12 1 1 A 12 12 HIS C C 12 173.060 173.970 -0.910 1
1 125 . 12 1 1 A 12 12 HIS CA C 12 54.628 55.726 -1.098 1
1 126 . 12 1 1 A 12 12 HIS CB C 12 30.432 28.819 1.613 1
1 129 . 12 1 1 A 12 12 HIS N N 12 120.216 118.999 1.217 1
1 130 . 12 1 1 A 13 13 GLU H H 13 8.338 8.216 0.122 1
1 131 . 12 1 1 A 13 13 GLU HA H 13 4.659 4.862 -0.203 1
1 136 . 12 1 1 A 13 13 GLU C C 13 175.231 175.170 0.061 1
1 137 . 12 1 1 A 13 13 GLU CA C 13 55.147 55.265 -0.118 1
1 138 . 12 1 1 A 13 13 GLU CB C 13 31.218 30.484 0.734 1
1 140 . 12 1 1 A 13 13 GLU N N 13 122.925 123.534 -0.609 1
1 141 . 12 1 1 A 14 14 PHE H H 14 9.117 9.106 0.011 1
1 142 . 12 1 1 A 14 14 PHE HA H 14 4.941 4.836 0.105 1
1 150 . 12 1 1 A 14 14 PHE C C 14 175.179 176.611 -1.432 1
1 151 . 12 1 1 A 14 14 PHE CA C 14 56.302 57.869 -1.567 1
1 152 . 12 1 1 A 14 14 PHE CB C 14 41.499 39.969 1.530 1
1 158 . 12 1 1 A 14 14 PHE N N 14 123.141 124.817 -1.676 1
1 159 . 12 1 1 A 15 15 ALA H H 15 9.393 8.744 0.649 1
1 160 . 12 1 1 A 15 15 ALA HA H 15 4.130 4.255 -0.125 1
1 164 . 12 1 1 A 15 15 ALA C C 15 177.675 177.399 0.276 1
1 165 . 12 1 1 A 15 15 ALA CA C 15 54.880 54.208 0.672 1
1 166 . 12 1 1 A 15 15 ALA CB C 15 18.986 19.228 -0.242 1
1 167 . 12 1 1 A 15 15 ALA N N 15 126.102 126.152 -0.050 1
1 168 . 12 1 1 A 16 16 ARG H H 16 7.756 7.528 0.228 1
1 169 . 12 1 1 A 16 16 ARG HA H 16 4.809 4.660 0.149 1
1 176 . 12 1 1 A 16 16 ARG C C 16 177.344 175.832 1.512 1
1 177 . 12 1 1 A 16 16 ARG CA C 16 53.409 54.689 -1.280 1
1 178 . 12 1 1 A 16 16 ARG CB C 16 33.323 32.912 0.411 1
1 181 . 12 1 1 A 16 16 ARG N N 16 110.189 114.311 -4.122 1
1 182 . 12 1 1 A 17 17 LYS H H 17 9.303 8.864 0.439 1
1 183 . 12 1 1 A 17 17 LYS HA H 17 3.742 3.865 -0.123 1
1 192 . 12 1 1 A 17 17 LYS C C 17 178.667 177.834 0.833 1
1 193 . 12 1 1 A 17 17 LYS CA C 17 60.663 59.658 1.005 1
1 194 . 12 1 1 A 17 17 LYS CB C 17 32.005 31.974 0.031 1
1 198 . 12 1 1 A 17 17 LYS N N 17 125.242 120.369 4.873 1
1 199 . 12 1 1 A 18 18 ALA H H 18 8.777 8.225 0.552 1
1 200 . 12 1 1 A 18 18 ALA HA H 18 4.046 4.041 0.005 1
1 204 . 12 1 1 A 18 18 ALA C C 18 180.134 179.530 0.604 1
1 205 . 12 1 1 A 18 18 ALA CA C 18 55.181 54.978 0.203 1
1 206 . 12 1 1 A 18 18 ALA CB C 18 18.633 18.193 0.440 1
1 207 . 12 1 1 A 18 18 ALA N N 18 118.670 121.268 -2.598 1
1 208 . 12 1 1 A 19 19 ASP H H 19 7.454 7.945 -0.491 1
1 209 . 12 1 1 A 19 19 ASP HA H 19 4.586 4.374 0.212 1
1 212 . 12 1 1 A 19 19 ASP C C 19 178.469 178.084 0.385 1
1 213 . 12 1 1 A 19 19 ASP CA C 19 57.082 55.926 1.156 1
1 214 . 12 1 1 A 19 19 ASP CB C 19 41.304 41.558 -0.254 1
1 215 . 12 1 1 A 19 19 ASP N N 19 117.020 118.709 -1.689 1
1 216 . 12 1 1 A 20 20 ALA H H 20 7.123 7.232 -0.109 1
1 217 . 12 1 1 A 20 20 ALA HA H 20 2.604 3.158 -0.554 1
1 221 . 12 1 1 A 20 20 ALA C C 20 178.706 180.003 -1.297 1
1 222 . 12 1 1 A 20 20 ALA CA C 20 54.453 54.398 0.055 1
1 223 . 12 1 1 A 20 20 ALA CB C 20 18.199 17.628 0.571 1
1 224 . 12 1 1 A 20 20 ALA N N 20 124.691 121.744 2.947 1
1 225 . 12 1 1 A 21 21 LEU H H 21 7.871 8.145 -0.274 1
1 226 . 12 1 1 A 21 21 LEU HA H 21 4.008 4.023 -0.015 1
1 236 . 12 1 1 A 21 21 LEU C C 21 179.041 178.914 0.127 1
1 237 . 12 1 1 A 21 21 LEU CA C 21 58.398 58.096 0.302 1
1 238 . 12 1 1 A 21 21 LEU CB C 21 41.382 41.747 -0.365 1
1 242 . 12 1 1 A 21 21 LEU N N 21 116.889 119.432 -2.543 1
1 243 . 12 1 1 A 22 22 ALA H H 22 7.972 8.276 -0.304 1
1 244 . 12 1 1 A 22 22 ALA HA H 22 4.158 4.096 0.062 1
1 248 . 12 1 1 A 22 22 ALA C C 22 179.288 179.386 -0.098 1
1 249 . 12 1 1 A 22 22 ALA CA C 22 55.180 55.135 0.045 1
1 250 . 12 1 1 A 22 22 ALA CB C 22 18.013 18.660 -0.647 1
1 251 . 12 1 1 A 22 22 ALA N N 22 121.219 120.578 0.641 1
1 252 . 12 1 1 A 23 23 PHE H H 23 7.546 8.482 -0.936 1
1 253 . 12 1 1 A 23 23 PHE HA H 23 4.081 3.997 0.084 1
1 261 . 12 1 1 A 23 23 PHE C C 23 178.515 177.014 1.501 1
1 262 . 12 1 1 A 23 23 PHE CA C 23 61.520 61.675 -0.155 1
1 263 . 12 1 1 A 23 23 PHE CB C 23 40.296 39.335 0.961 1
1 269 . 12 1 1 A 23 23 PHE N N 23 119.034 119.488 -0.454 1
1 270 . 12 1 1 A 24 24 MET H H 24 7.595 8.257 -0.662 1
1 271 . 12 1 1 A 24 24 MET HA H 24 3.768 3.875 -0.107 1
1 279 . 12 1 1 A 24 24 MET C C 24 176.037 178.345 -2.308 1
1 280 . 12 1 1 A 24 24 MET CA C 24 59.901 58.376 1.525 1
1 281 . 12 1 1 A 24 24 MET CB C 24 34.008 31.851 2.157 1
1 284 . 12 1 1 A 24 24 MET N N 24 118.377 116.515 1.862 1
1 285 . 12 1 1 A 25 25 LYS H H 25 8.131 7.891 0.240 1
1 286 . 12 1 1 A 25 25 LYS HA H 25 3.747 4.223 -0.476 1
1 295 . 12 1 1 A 25 25 LYS C C 25 178.865 178.654 0.211 1
1 296 . 12 1 1 A 25 25 LYS CA C 25 59.994 59.074 0.920 1
1 297 . 12 1 1 A 25 25 LYS CB C 25 32.365 32.133 0.232 1
1 301 . 12 1 1 A 25 25 LYS N N 25 121.901 120.644 1.257 1
1 302 . 12 1 1 A 26 26 VAL H H 26 7.986 7.983 0.003 1
1 303 . 12 1 1 A 26 26 VAL HA H 26 3.515 3.501 0.014 1
1 311 . 12 1 1 A 26 26 VAL C C 26 178.654 177.942 0.712 1
1 312 . 12 1 1 A 26 26 VAL CA C 26 66.337 66.761 -0.424 1
1 313 . 12 1 1 A 26 26 VAL CB C 26 31.302 31.443 -0.141 1
1 316 . 12 1 1 A 26 26 VAL N N 26 119.393 119.558 -0.165 1
1 317 . 12 1 1 A 27 27 MET H H 27 7.232 7.916 -0.684 1
1 318 . 12 1 1 A 27 27 MET HA H 27 3.586 4.100 -0.514 1
1 326 . 12 1 1 A 27 27 MET C C 27 177.564 178.332 -0.768 1
1 327 . 12 1 1 A 27 27 MET CA C 27 59.113 58.524 0.589 1
1 328 . 12 1 1 A 27 27 MET CB C 27 34.025 32.313 1.712 1
1 331 . 12 1 1 A 27 27 MET N N 27 119.647 119.111 0.536 1
1 332 . 12 1 1 A 28 28 LEU H H 28 8.201 7.990 0.211 1
1 333 . 12 1 1 A 28 28 LEU HA H 28 3.733 4.066 -0.333 1
1 343 . 12 1 1 A 28 28 LEU C C 28 178.075 178.839 -0.764 1
1 344 . 12 1 1 A 28 28 LEU CA C 28 57.980 57.911 0.069 1
1 345 . 12 1 1 A 28 28 LEU CB C 28 41.151 41.621 -0.470 1
1 349 . 12 1 1 A 28 28 LEU N N 28 118.420 123.558 -5.138 1
1 350 . 12 1 1 A 29 29 ASN H H 29 7.579 8.230 -0.651 1
1 351 . 12 1 1 A 29 29 ASN HA H 29 4.512 4.467 0.045 1
1 356 . 12 1 1 A 29 29 ASN C C 29 176.087 178.558 -2.471 1
1 357 . 12 1 1 A 29 29 ASN CA C 29 54.286 56.305 -2.019 1
1 358 . 12 1 1 A 29 29 ASN CB C 29 38.984 37.771 1.213 1
1 359 . 12 1 1 A 29 29 ASN N N 29 112.254 116.752 -4.498 1
1 361 . 12 1 1 A 30 30 ARG H H 30 7.621 7.637 -0.016 1
1 362 . 12 1 1 A 30 30 ARG HA H 30 4.169 4.197 -0.028 1
1 369 . 12 1 1 A 30 30 ARG C C 30 175.926 176.399 -0.473 1
1 370 . 12 1 1 A 30 30 ARG CA C 30 57.482 57.267 0.215 1
1 371 . 12 1 1 A 30 30 ARG CB C 30 30.404 30.908 -0.504 1
1 374 . 12 1 1 A 30 30 ARG N N 30 118.878 117.463 1.415 1
1 375 . 12 1 1 A 31 31 TYR H H 31 7.287 7.830 -0.543 1
1 376 . 12 1 1 A 31 31 TYR HA H 31 4.690 4.708 -0.018 1
1 383 . 12 1 1 A 31 31 TYR C C 31 174.348 175.105 -0.757 1
1 384 . 12 1 1 A 31 31 TYR CA C 31 58.118 57.804 0.314 1
1 385 . 12 1 1 A 31 31 TYR CB C 31 43.045 38.787 4.258 1
1 390 . 12 1 1 A 31 31 TYR N N 31 118.414 118.088 0.326 1
1 391 . 12 1 1 A 32 32 ARG H H 32 9.314 8.592 0.722 1
1 392 . 12 1 1 A 32 32 ARG HA H 32 4.913 4.546 0.367 1
1 399 . 12 1 1 A 32 32 ARG C C 32 173.525 174.519 -0.994 1
1 400 . 12 1 1 A 32 32 ARG CA C 32 52.775 54.574 -1.799 1
1 401 . 12 1 1 A 32 32 ARG CB C 32 30.292 29.078 1.214 1
1 404 . 12 1 1 A 32 32 ARG N N 32 121.876 125.232 -3.356 1
1 405 . 12 1 1 A 33 33 PRO HA H 33 3.870 4.761 -0.891 1
1 412 . 12 1 1 A 33 33 PRO C C 33 177.517 177.269 0.248 1
1 413 . 12 1 1 A 33 33 PRO CA C 33 64.332 62.812 1.520 1
1 414 . 12 1 1 A 33 33 PRO CB C 33 31.655 29.625 2.030 1
1 417 . 12 1 1 A 34 34 GLY H H 34 9.584 8.643 0.941 1
1 418 . 12 1 1 A 34 34 GLY HA2 H 34 4.422 4.049 0.373 1
1 419 . 12 1 1 A 34 34 GLY HA3 H 34 3.725 4.060 -0.335 1
1 420 . 12 1 1 A 34 34 GLY C C 34 174.605 174.323 0.282 1
1 421 . 12 1 1 A 34 34 GLY CA C 34 44.745 45.314 -0.569 1
1 422 . 12 1 1 A 34 34 GLY N N 34 115.669 112.621 3.048 1
1 423 . 12 1 1 A 35 35 ASP H H 35 8.252 8.146 0.106 1
1 424 . 12 1 1 A 35 35 ASP HA H 35 4.691 4.860 -0.169 1
1 427 . 12 1 1 A 35 35 ASP C C 35 175.279 175.631 -0.352 1
1 428 . 12 1 1 A 35 35 ASP CA C 35 55.195 54.129 1.066 1
1 429 . 12 1 1 A 35 35 ASP CB C 35 42.301 42.274 0.027 1
1 430 . 12 1 1 A 35 35 ASP N N 35 122.076 120.731 1.345 1
1 431 . 12 1 1 A 36 36 ILE H H 36 8.194 8.649 -0.455 1
1 432 . 12 1 1 A 36 36 ILE HA H 36 4.546 4.723 -0.177 1
1 442 . 12 1 1 A 36 36 ILE C C 36 176.709 176.363 0.346 1
1 443 . 12 1 1 A 36 36 ILE CA C 36 59.572 60.369 -0.797 1
1 444 . 12 1 1 A 36 36 ILE CB C 36 37.870 39.384 -1.514 1
1 448 . 12 1 1 A 36 36 ILE N N 36 120.260 122.868 -2.608 1
1 449 . 12 1 1 A 37 37 VAL H H 37 7.963 8.841 -0.878 1
1 450 . 12 1 1 A 37 37 VAL HA H 37 3.671 3.257 0.414 1
1 458 . 12 1 1 A 37 37 VAL C C 37 176.530 176.517 0.013 1
1 459 . 12 1 1 A 37 37 VAL CA C 37 62.969 62.637 0.332 1
1 460 . 12 1 1 A 37 37 VAL CB C 37 32.201 31.866 0.335 1
1 463 . 12 1 1 A 37 37 VAL N N 37 126.533 127.856 -1.323 1
1 464 . 12 1 1 A 38 38 SER H H 38 8.852 8.347 0.505 1
1 465 . 12 1 1 A 38 38 SER HA H 38 4.600 4.695 -0.095 1
1 468 . 12 1 1 A 38 38 SER C C 38 174.950 175.929 -0.979 1
1 469 . 12 1 1 A 38 38 SER CA C 38 58.147 57.898 0.249 1
1 470 . 12 1 1 A 38 38 SER CB C 38 65.224 65.324 -0.100 1
1 471 . 12 1 1 A 38 38 SER N N 38 122.752 121.463 1.289 1
1 472 . 12 1 1 A 39 39 THR H H 39 8.870 8.807 0.063 1
1 473 . 12 1 1 A 39 39 THR HA H 39 4.153 4.002 0.151 1
1 478 . 12 1 1 A 39 39 THR C C 39 177.855 176.357 1.498 1
1 479 . 12 1 1 A 39 39 THR CA C 39 66.299 66.429 -0.130 1
1 480 . 12 1 1 A 39 39 THR CB C 39 68.559 68.589 -0.030 1
1 482 . 12 1 1 A 39 39 THR N N 39 116.391 116.218 0.173 1
1 483 . 12 1 1 A 40 40 VAL H H 40 8.018 8.103 -0.085 1
1 484 . 12 1 1 A 40 40 VAL HA H 40 4.028 3.614 0.414 1
1 492 . 12 1 1 A 40 40 VAL C C 40 178.339 177.308 1.031 1
1 493 . 12 1 1 A 40 40 VAL CA C 40 65.776 66.538 -0.762 1
1 494 . 12 1 1 A 40 40 VAL CB C 40 32.139 31.767 0.372 1
1 497 . 12 1 1 A 40 40 VAL N N 40 121.035 122.033 -0.998 1
1 498 . 12 1 1 A 41 41 ASP H H 41 7.610 8.651 -1.041 1
1 499 . 12 1 1 A 41 41 ASP HA H 41 4.570 4.361 0.209 1
1 502 . 12 1 1 A 41 41 ASP C C 41 178.746 179.797 -1.051 1
1 503 . 12 1 1 A 41 41 ASP CA C 41 57.492 56.935 0.557 1
1 504 . 12 1 1 A 41 41 ASP CB C 41 39.740 40.076 -0.336 1
1 505 . 12 1 1 A 41 41 ASP N N 41 124.108 119.171 4.937 1
1 506 . 12 1 1 A 42 42 GLY H H 42 9.363 8.579 0.784 1
1 507 . 12 1 1 A 42 42 GLY HA2 H 42 4.186 3.445 0.741 1
1 508 . 12 1 1 A 42 42 GLY HA3 H 42 3.584 3.805 -0.221 1
1 509 . 12 1 1 A 42 42 GLY C C 42 175.329 176.383 -1.054 1
1 510 . 12 1 1 A 42 42 GLY CA C 42 46.944 47.059 -0.115 1
1 511 . 12 1 1 A 42 42 GLY N N 42 109.572 109.264 0.308 1
1 512 . 12 1 1 A 43 43 ALA H H 43 7.949 8.049 -0.100 1
1 513 . 12 1 1 A 43 43 ALA HA H 43 4.240 4.027 0.213 1
1 517 . 12 1 1 A 43 43 ALA C C 43 180.375 179.470 0.905 1
1 518 . 12 1 1 A 43 43 ALA CA C 43 54.897 54.738 0.159 1
1 519 . 12 1 1 A 43 43 ALA CB C 43 17.895 18.385 -0.490 1
1 520 . 12 1 1 A 43 43 ALA N N 43 123.561 124.598 -1.037 1
1 521 . 12 1 1 A 44 44 PHE H H 44 7.337 7.797 -0.460 1
1 522 . 12 1 1 A 44 44 PHE HA H 44 3.957 4.152 -0.195 1
1 530 . 12 1 1 A 44 44 PHE C C 44 177.252 176.854 0.398 1
1 531 . 12 1 1 A 44 44 PHE CA C 44 61.508 61.299 0.209 1
1 532 . 12 1 1 A 44 44 PHE CB C 44 38.993 39.040 -0.047 1
1 538 . 12 1 1 A 44 44 PHE N N 44 118.542 120.251 -1.709 1
1 539 . 12 1 1 A 45 45 LEU H H 45 8.301 8.144 0.157 1
1 540 . 12 1 1 A 45 45 LEU HA H 45 3.741 3.628 0.113 1
1 550 . 12 1 1 A 45 45 LEU C C 45 178.847 178.778 0.069 1
1 551 . 12 1 1 A 45 45 LEU CA C 45 57.643 57.819 -0.176 1
1 552 . 12 1 1 A 45 45 LEU CB C 45 41.274 40.782 0.492 1
1 556 . 12 1 1 A 45 45 LEU N N 45 119.345 119.486 -0.141 1
1 557 . 12 1 1 A 46 46 VAL H H 46 8.562 7.969 0.593 1
1 558 . 12 1 1 A 46 46 VAL HA H 46 3.759 3.527 0.232 1
1 566 . 12 1 1 A 46 46 VAL C C 46 177.077 177.118 -0.041 1
1 567 . 12 1 1 A 46 46 VAL CA C 46 67.081 67.074 0.007 1
1 568 . 12 1 1 A 46 46 VAL CB C 46 31.639 31.532 0.107 1
1 571 . 12 1 1 A 46 46 VAL N N 46 118.458 118.619 -0.161 1
1 572 . 12 1 1 A 47 47 GLU H H 47 6.896 8.078 -1.182 1
1 573 . 12 1 1 A 47 47 GLU HA H 47 4.019 3.943 0.076 1
1 578 . 12 1 1 A 47 47 GLU C C 47 179.738 178.944 0.794 1
1 579 . 12 1 1 A 47 47 GLU CA C 47 58.582 59.312 -0.730 1
1 580 . 12 1 1 A 47 47 GLU CB C 47 29.029 29.321 -0.292 1
1 582 . 12 1 1 A 47 47 GLU N N 47 117.916 119.090 -1.174 1
1 583 . 12 1 1 A 48 48 ALA H H 48 8.310 7.839 0.471 1
1 584 . 12 1 1 A 48 48 ALA HA H 48 3.761 4.041 -0.280 1
1 588 . 12 1 1 A 48 48 ALA C C 48 179.636 178.614 1.022 1
1 589 . 12 1 1 A 48 48 ALA CA C 48 55.769 54.931 0.838 1
1 590 . 12 1 1 A 48 48 ALA CB C 48 17.370 18.222 -0.852 1
1 591 . 12 1 1 A 48 48 ALA N N 48 123.600 122.251 1.349 1
1 592 . 12 1 1 A 49 49 LEU H H 49 8.724 7.897 0.827 1
1 593 . 12 1 1 A 49 49 LEU HA H 49 3.924 4.017 -0.093 1
1 603 . 12 1 1 A 49 49 LEU C C 49 178.188 178.891 -0.703 1
1 604 . 12 1 1 A 49 49 LEU CA C 49 57.387 57.525 -0.138 1
1 605 . 12 1 1 A 49 49 LEU CB C 49 41.780 41.452 0.328 1
1 609 . 12 1 1 A 49 49 LEU N N 49 119.812 120.206 -0.394 1
1 610 . 12 1 1 A 50 50 LYS H H 50 7.421 8.250 -0.829 1
1 611 . 12 1 1 A 50 50 LYS HA H 50 3.856 3.911 -0.055 1
1 620 . 12 1 1 A 50 50 LYS C C 50 177.592 178.186 -0.594 1
1 621 . 12 1 1 A 50 50 LYS CA C 50 59.345 59.988 -0.643 1
1 622 . 12 1 1 A 50 50 LYS CB C 50 32.757 32.325 0.432 1
1 626 . 12 1 1 A 50 50 LYS N N 50 115.568 118.791 -3.223 1
1 627 . 12 1 1 A 51 51 ARG H H 51 7.787 7.681 0.106 1
1 628 . 12 1 1 A 51 51 ARG HA H 51 4.356 4.308 0.048 1
1 635 . 12 1 1 A 51 51 ARG C C 51 176.424 175.314 1.110 1
1 636 . 12 1 1 A 51 51 ARG CA C 51 55.690 56.421 -0.731 1
1 637 . 12 1 1 A 51 51 ARG CB C 51 30.227 29.823 0.404 1
1 640 . 12 1 1 A 51 51 ARG N N 51 115.686 115.328 0.358 1
1 641 . 12 1 1 A 52 52 HIS H H 52 8.159 7.598 0.561 1
1 642 . 12 1 1 A 52 52 HIS HA H 52 4.512 4.873 -0.361 1
1 646 . 12 1 1 A 52 52 HIS C C 52 175.409 175.034 0.375 1
1 647 . 12 1 1 A 52 52 HIS CA C 52 56.087 54.164 1.923 1
1 648 . 12 1 1 A 52 52 HIS CB C 52 32.904 30.968 1.936 1
1 650 . 12 1 1 A 52 52 HIS N N 52 125.025 118.217 6.808 1
1 651 . 12 1 1 A 53 53 PRO HA H 53 4.341 4.377 -0.036 1
1 658 . 12 1 1 A 53 53 PRO CA C 53 65.210 64.858 0.352 1
1 659 . 12 1 1 A 53 53 PRO CB C 53 31.791 31.992 -0.201 1
1 662 . 12 1 1 A 54 54 ASP H H 54 8.058 8.822 -0.764 1
1 663 . 12 1 1 A 54 54 ASP HA H 54 5.184 4.580 0.604 1
1 666 . 12 1 1 A 54 54 ASP C C 54 176.079 177.648 -1.569 1
1 667 . 12 1 1 A 54 54 ASP CA C 54 52.778 54.476 -1.698 1
1 668 . 12 1 1 A 54 54 ASP CB C 54 41.573 40.142 1.431 1
1 669 . 12 1 1 A 55 55 ALA H H 55 7.731 7.746 -0.015 1
1 670 . 12 1 1 A 55 55 ALA HA H 55 3.589 3.988 -0.399 1
1 674 . 12 1 1 A 55 55 ALA C C 55 178.550 179.701 -1.151 1
1 675 . 12 1 1 A 55 55 ALA CA C 55 57.024 55.161 1.863 1
1 676 . 12 1 1 A 55 55 ALA CB C 55 20.320 18.596 1.724 1
1 677 . 12 1 1 A 55 55 ALA N N 55 122.261 124.697 -2.436 1
1 678 . 12 1 1 A 56 56 THR H H 56 8.405 8.301 0.104 1
1 679 . 12 1 1 A 56 56 THR HA H 56 3.804 3.919 -0.115 1
1 684 . 12 1 1 A 56 56 THR C C 56 177.743 176.884 0.859 1
1 685 . 12 1 1 A 56 56 THR CA C 56 67.024 65.987 1.037 1
1 686 . 12 1 1 A 56 56 THR CB C 56 68.257 68.858 -0.601 1
1 688 . 12 1 1 A 56 56 THR N N 56 110.600 113.734 -3.134 1
1 689 . 12 1 1 A 57 57 SER H H 57 7.907 8.019 -0.112 1
1 690 . 12 1 1 A 57 57 SER HA H 57 4.251 4.132 0.119 1
1 693 . 12 1 1 A 57 57 SER C C 57 176.547 175.842 0.705 1
1 694 . 12 1 1 A 57 57 SER CA C 57 60.395 61.618 -1.223 1
1 695 . 12 1 1 A 57 57 SER CB C 57 62.766 63.250 -0.484 1
1 696 . 12 1 1 A 57 57 SER N N 57 117.623 118.224 -0.601 1
1 697 . 12 1 1 A 58 58 LYS H H 58 8.180 7.618 0.562 1
1 698 . 12 1 1 A 58 58 LYS HA H 58 3.687 4.090 -0.403 1
1 707 . 12 1 1 A 58 58 LYS C C 58 178.074 179.213 -1.139 1
1 708 . 12 1 1 A 58 58 LYS CA C 58 58.090 59.027 -0.937 1
1 709 . 12 1 1 A 58 58 LYS CB C 58 32.328 31.710 0.618 1
1 713 . 12 1 1 A 58 58 LYS N N 58 120.772 120.302 0.470 1
1 714 . 12 1 1 A 59 59 ILE H H 59 8.407 8.052 0.355 1
1 715 . 12 1 1 A 59 59 ILE HA H 59 3.336 3.904 -0.568 1
1 725 . 12 1 1 A 59 59 ILE C C 59 176.705 176.936 -0.231 1
1 726 . 12 1 1 A 59 59 ILE CA C 59 64.224 63.253 0.971 1
1 727 . 12 1 1 A 59 59 ILE CB C 59 38.989 38.620 0.369 1
1 731 . 12 1 1 A 59 59 ILE N N 59 119.024 119.224 -0.200 1
1 732 . 12 1 1 A 60 60 GLY H H 60 7.360 8.069 -0.709 1
1 733 . 12 1 1 A 60 60 GLY HA2 H 60 3.884 3.851 0.033 1
1 734 . 12 1 1 A 60 60 GLY HA3 H 60 3.614 3.855 -0.241 1
1 735 . 12 1 1 A 60 60 GLY C C 60 173.964 174.750 -0.786 1
1 736 . 12 1 1 A 60 60 GLY CA C 60 44.586 46.545 -1.959 1
1 737 . 12 1 1 A 60 60 GLY N N 60 106.081 110.307 -4.226 1
1 738 . 12 1 1 A 61 61 PRO HA H 61 4.486 4.441 0.045 1
1 745 . 12 1 1 A 61 61 PRO C C 61 175.603 176.338 -0.735 1
1 746 . 12 1 1 A 61 61 PRO CA C 61 63.473 64.021 -0.548 1
1 747 . 12 1 1 A 61 61 PRO CB C 61 31.981 31.927 0.054 1
1 750 . 12 1 1 A 62 62 GLY H H 62 7.835 6.951 0.884 1
1 751 . 12 1 1 A 62 62 GLY HA2 H 62 4.378 4.021 0.357 1
1 752 . 12 1 1 A 62 62 GLY HA3 H 62 3.416 4.023 -0.607 1
1 753 . 12 1 1 A 62 62 GLY C C 62 172.596 172.046 0.550 1
1 754 . 12 1 1 A 62 62 GLY CA C 62 44.498 44.980 -0.482 1
1 755 . 12 1 1 A 62 62 GLY N N 62 110.214 106.939 3.275 1
1 756 . 12 1 1 A 63 63 VAL H H 63 8.646 8.614 0.032 1
1 757 . 12 1 1 A 63 63 VAL HA H 63 3.668 4.045 -0.377 1
1 765 . 12 1 1 A 63 63 VAL C C 63 175.808 175.812 -0.004 1
1 766 . 12 1 1 A 63 63 VAL CA C 63 63.681 62.782 0.899 1
1 767 . 12 1 1 A 63 63 VAL CB C 63 32.863 31.208 1.655 1
1 770 . 12 1 1 A 63 63 VAL N N 63 122.735 120.980 1.755 1
1 771 . 12 1 1 A 64 64 ARG H H 64 9.524 8.763 0.761 1
1 772 . 12 1 1 A 64 64 ARG HA H 64 4.254 4.342 -0.088 1
1 779 . 12 1 1 A 64 64 ARG C C 64 175.574 175.823 -0.249 1
1 780 . 12 1 1 A 64 64 ARG CA C 64 57.310 57.360 -0.050 1
1 781 . 12 1 1 A 64 64 ARG CB C 64 31.928 31.353 0.575 1
1 784 . 12 1 1 A 64 64 ARG N N 64 129.782 129.638 0.144 1
1 785 . 12 1 1 A 65 65 ASN H H 65 8.089 7.177 0.912 1
1 786 . 12 1 1 A 65 65 ASN HA H 65 4.662 4.961 -0.299 1
1 791 . 12 1 1 A 65 65 ASN C C 65 171.753 172.010 -0.257 1
1 792 . 12 1 1 A 65 65 ASN CA C 65 53.279 52.069 1.210 1
1 793 . 12 1 1 A 65 65 ASN CB C 65 43.717 39.909 3.808 1
1 794 . 12 1 1 A 65 65 ASN N N 65 114.163 112.160 2.003 1
1 796 . 12 1 1 A 66 66 PHE H H 66 9.064 8.662 0.402 1
1 797 . 12 1 1 A 66 66 PHE HA H 66 5.738 5.512 0.226 1
1 805 . 12 1 1 A 66 66 PHE C C 66 174.834 174.251 0.583 1
1 806 . 12 1 1 A 66 66 PHE CA C 66 56.578 56.300 0.278 1
1 807 . 12 1 1 A 66 66 PHE CB C 66 41.888 42.329 -0.441 1
1 813 . 12 1 1 A 66 66 PHE N N 66 114.774 116.040 -1.266 1
1 814 . 12 1 1 A 67 67 GLU H H 67 9.328 9.195 0.133 1
1 815 . 12 1 1 A 67 67 GLU HA H 67 5.307 5.220 0.087 1
1 820 . 12 1 1 A 67 67 GLU C C 67 174.999 175.593 -0.594 1
1 821 . 12 1 1 A 67 67 GLU CA C 67 54.003 54.744 -0.741 1
1 822 . 12 1 1 A 67 67 GLU CB C 67 35.678 33.392 2.286 1
1 824 . 12 1 1 A 67 67 GLU N N 67 122.005 123.374 -1.369 1
1 825 . 12 1 1 A 68 68 VAL H H 68 8.598 8.396 0.202 1
1 826 . 12 1 1 A 68 68 VAL HA H 68 4.859 4.454 0.405 1
1 834 . 12 1 1 A 68 68 VAL C C 68 175.361 175.690 -0.329 1
1 835 . 12 1 1 A 68 68 VAL CA C 68 62.102 61.940 0.162 1
1 836 . 12 1 1 A 68 68 VAL CB C 68 32.865 32.311 0.554 1
1 839 . 12 1 1 A 68 68 VAL N N 68 124.692 127.442 -2.750 1
1 840 . 12 1 1 A 69 69 ARG H H 69 8.896 8.710 0.186 1
1 841 . 12 1 1 A 69 69 ARG HA H 69 4.888 4.709 0.179 1
1 848 . 12 1 1 A 69 69 ARG C C 69 175.469 174.582 0.887 1
1 849 . 12 1 1 A 69 69 ARG CA C 69 54.384 54.452 -0.068 1
1 850 . 12 1 1 A 69 69 ARG CB C 69 34.979 34.023 0.956 1
1 853 . 12 1 1 A 69 69 ARG N N 69 123.599 126.982 -3.383 1
1 854 . 12 1 1 A 70 70 SER H H 70 8.758 8.786 -0.028 1
1 855 . 12 1 1 A 70 70 SER HA H 70 4.511 4.620 -0.109 1
1 858 . 12 1 1 A 70 70 SER C C 70 173.488 174.113 -0.625 1
1 859 . 12 1 1 A 70 70 SER CA C 70 59.858 57.576 2.282 1
1 860 . 12 1 1 A 70 70 SER CB C 70 63.927 63.864 0.063 1
1 861 . 12 1 1 A 70 70 SER N N 70 116.239 117.693 -1.454 1
1 862 . 12 1 1 A 71 71 ALA H H 71 8.456 8.908 -0.452 1
1 863 . 12 1 1 A 71 71 ALA HA H 71 4.688 4.412 0.276 1
1 867 . 12 1 1 A 71 71 ALA C C 71 176.054 175.757 0.297 1
1 868 . 12 1 1 A 71 71 ALA CA C 71 51.016 53.852 -2.836 1
1 869 . 12 1 1 A 71 71 ALA CB C 71 20.324 19.728 0.596 1
1 870 . 12 1 1 A 71 71 ALA N N 71 128.999 125.165 3.834 1
1 871 . 12 1 1 A 72 72 ASP H H 72 7.968 7.914 0.054 1
1 872 . 12 1 1 A 72 72 ASP HA H 72 4.361 4.619 -0.258 1
1 875 . 12 1 1 A 72 72 ASP C C 72 176.444 175.843 0.601 1
1 876 . 12 1 1 A 72 72 ASP CA C 72 54.732 53.052 1.680 1
1 877 . 12 1 1 A 72 72 ASP CB C 72 41.060 41.216 -0.156 1
1 878 . 12 1 1 A 72 72 ASP N N 72 118.176 118.262 -0.086 1
1 879 . 12 1 1 A 73 73 TYR H H 73 8.768 8.453 0.315 1
1 880 . 12 1 1 A 73 73 TYR HA H 73 4.309 4.147 0.162 1
1 887 . 12 1 1 A 73 73 TYR C C 73 176.601 176.221 0.380 1
1 888 . 12 1 1 A 73 73 TYR CA C 73 58.799 61.339 -2.540 1
1 889 . 12 1 1 A 73 73 TYR CB C 73 36.239 36.865 -0.626 1
1 894 . 12 1 1 A 73 73 TYR N N 73 117.846 121.996 -4.150 1
1 895 . 12 1 1 A 74 74 GLY H H 74 8.533 8.663 -0.130 1
1 896 . 12 1 1 A 74 74 GLY HA2 H 74 4.069 4.034 0.035 1
1 897 . 12 1 1 A 74 74 GLY HA3 H 74 3.844 4.040 -0.196 1
1 898 . 12 1 1 A 74 74 GLY C C 74 175.060 174.242 0.818 1
1 899 . 12 1 1 A 74 74 GLY CA C 74 46.117 45.359 0.758 1
1 900 . 12 1 1 A 74 74 GLY N N 74 108.255 108.430 -0.175 1
1 901 . 12 1 1 A 75 75 THR H H 75 7.534 7.996 -0.462 1
1 902 . 12 1 1 A 75 75 THR HA H 75 4.687 4.322 0.365 1
1 907 . 12 1 1 A 75 75 THR C C 75 173.779 174.315 -0.536 1
1 908 . 12 1 1 A 75 75 THR CA C 75 61.115 61.844 -0.729 1
1 909 . 12 1 1 A 75 75 THR CB C 75 71.585 69.532 2.053 1
1 911 . 12 1 1 A 75 75 THR N N 75 111.431 112.938 -1.507 1
1 912 . 12 1 1 A 76 76 GLN H H 76 8.590 8.482 0.108 1
1 913 . 12 1 1 A 76 76 GLN HA H 76 5.238 4.628 0.610 1
1 920 . 12 1 1 A 76 76 GLN C C 76 173.605 175.240 -1.635 1
1 921 . 12 1 1 A 76 76 GLN CA C 76 54.556 56.037 -1.481 1
1 922 . 12 1 1 A 76 76 GLN CB C 76 31.657 30.280 1.377 1
1 924 . 12 1 1 A 76 76 GLN N N 76 117.495 124.113 -6.618 1
1 926 . 12 1 1 A 77 77 CYS H H 77 9.058 8.777 0.281 1
1 927 . 12 1 1 A 77 77 CYS HA H 77 4.780 4.819 -0.039 1
1 930 . 12 1 1 A 77 77 CYS C C 77 172.371 173.438 -1.067 1
1 931 . 12 1 1 A 77 77 CYS CA C 77 56.886 58.019 -1.133 1
1 932 . 12 1 1 A 77 77 CYS CB C 77 31.492 31.401 0.091 1
1 933 . 12 1 1 A 77 77 CYS N N 77 114.572 119.217 -4.645 1
1 934 . 12 1 1 A 78 78 PHE H H 78 8.872 8.925 -0.053 1
1 935 . 12 1 1 A 78 78 PHE HA H 78 5.419 5.122 0.297 1
1 943 . 12 1 1 A 78 78 PHE CA C 78 58.466 56.608 1.858 1
1 944 . 12 1 1 A 78 78 PHE CB C 78 42.360 39.645 2.715 1
1 950 . 12 1 1 A 78 78 PHE N N 78 120.396 122.466 -2.070 1
1 951 . 12 1 1 A 79 79 TRP H H 79 10.003 9.238 0.765 1
1 952 . 12 1 1 A 79 79 TRP HA H 79 4.907 5.314 -0.407 1
1 961 . 12 1 1 A 79 79 TRP CA C 79 57.535 56.619 0.916 1
1 962 . 12 1 1 A 79 79 TRP CB C 79 30.788 30.837 -0.049 1
1 968 . 12 1 1 A 79 79 TRP N N 79 120.993 124.608 -3.615 1
1 970 . 12 1 1 A 80 80 ILE H H 80 9.669 8.934 0.735 1
1 971 . 12 1 1 A 80 80 ILE HA H 80 3.773 4.379 -0.606 1
1 981 . 12 1 1 A 80 80 ILE C C 80 174.675 175.159 -0.484 1
1 982 . 12 1 1 A 80 80 ILE CA C 80 61.505 60.403 1.102 1
1 983 . 12 1 1 A 80 80 ILE CB C 80 40.765 37.969 2.796 1
1 987 . 12 1 1 A 80 80 ILE N N 80 122.205 124.496 -2.291 1
1 988 . 12 1 1 A 81 81 LEU H H 81 8.489 8.766 -0.277 1
1 989 . 12 1 1 A 81 81 LEU HA H 81 5.037 4.696 0.341 1
1 999 . 12 1 1 A 81 81 LEU C C 81 177.301 176.355 0.946 1
1 1000 . 12 1 1 A 81 81 LEU CA C 81 53.483 54.245 -0.762 1
1 1001 . 12 1 1 A 81 81 LEU CB C 81 40.344 42.061 -1.717 1
1 1005 . 12 1 1 A 81 81 LEU N N 81 127.849 128.810 -0.961 1
1 1006 . 12 1 1 A 82 82 ARG H H 82 8.980 9.238 -0.258 1
1 1007 . 12 1 1 A 82 82 ARG HA H 82 5.127 4.509 0.618 1
1 1014 . 12 1 1 A 82 82 ARG C C 82 179.527 177.430 2.097 1
1 1015 . 12 1 1 A 82 82 ARG CA C 82 57.410 54.679 2.731 1
1 1016 . 12 1 1 A 82 82 ARG CB C 82 31.995 31.694 0.301 1
1 1019 . 12 1 1 A 82 82 ARG N N 82 121.829 124.104 -2.275 1
1 1020 . 12 1 1 A 83 83 THR H H 83 8.427 8.569 -0.142 1
1 1021 . 12 1 1 A 83 83 THR HA H 83 3.823 3.905 -0.082 1
1 1026 . 12 1 1 A 83 83 THR C C 83 174.540 176.021 -1.481 1
1 1027 . 12 1 1 A 83 83 THR CA C 83 64.441 66.103 -1.662 1
1 1028 . 12 1 1 A 83 83 THR CB C 83 67.987 68.494 -0.507 1
1 1030 . 12 1 1 A 83 83 THR N N 83 111.631 117.423 -5.792 1
1 1031 . 12 1 1 A 84 84 ASP H H 84 7.431 7.929 -0.498 1
1 1032 . 12 1 1 A 84 84 ASP HA H 84 4.706 4.579 0.127 1
1 1035 . 12 1 1 A 84 84 ASP C C 84 177.092 176.157 0.935 1
1 1036 . 12 1 1 A 84 84 ASP CA C 84 52.983 54.148 -1.165 1
1 1037 . 12 1 1 A 84 84 ASP CB C 84 40.502 41.143 -0.641 1
1 1038 . 12 1 1 A 84 84 ASP N N 84 117.630 119.529 -1.899 1
1 1039 . 12 1 1 A 85 85 GLY H H 85 7.924 8.058 -0.134 1
1 1040 . 12 1 1 A 85 85 GLY HA2 H 85 3.741 3.952 -0.211 1
1 1041 . 12 1 1 A 85 85 GLY HA3 H 85 4.364 3.953 0.411 1
1 1042 . 12 1 1 A 85 85 GLY C C 85 174.007 174.001 0.006 1
1 1043 . 12 1 1 A 85 85 GLY CA C 85 45.370 46.546 -1.176 1
1 1044 . 12 1 1 A 85 85 GLY N N 85 108.078 109.150 -1.072 1
1 1045 . 12 1 1 A 86 86 SER H H 86 8.009 7.706 0.303 1
1 1046 . 12 1 1 A 86 86 SER HA H 86 4.563 5.050 -0.487 1
1 1049 . 12 1 1 A 86 86 SER C C 86 172.835 172.913 -0.078 1
1 1050 . 12 1 1 A 86 86 SER CA C 86 58.731 56.737 1.994 1
1 1051 . 12 1 1 A 86 86 SER CB C 86 64.803 65.299 -0.496 1
1 1052 . 12 1 1 A 86 86 SER N N 86 117.029 114.736 2.293 1
1 1053 . 12 1 1 A 87 87 GLU H H 87 8.593 9.043 -0.450 1
1 1054 . 12 1 1 A 87 87 GLU HA H 87 5.921 5.570 0.351 1
1 1059 . 12 1 1 A 87 87 GLU C C 87 175.873 174.710 1.163 1
1 1060 . 12 1 1 A 87 87 GLU CA C 87 54.343 54.980 -0.637 1
1 1061 . 12 1 1 A 87 87 GLU CB C 87 33.925 32.643 1.282 1
1 1063 . 12 1 1 A 87 87 GLU N N 87 116.585 123.925 -7.340 1
1 1064 . 12 1 1 A 88 88 GLU HA H 88 4.496 4.625 -0.129 1
1 1069 . 12 1 1 A 88 88 GLU CA C 88 55.840 54.739 1.101 1
1 1070 . 12 1 1 A 88 88 GLU CB C 88 34.310 33.508 0.802 1
1 1072 . 12 1 1 A 89 89 ARG H H 89 8.013 7.833 0.180 1
1 1073 . 12 1 1 A 89 89 ARG HA H 89 3.184 4.730 -1.546 1
1 1080 . 12 1 1 A 89 89 ARG CA C 89 56.576 54.579 1.997 1
1 1081 . 12 1 1 A 89 89 ARG CB C 89 30.462 31.012 -0.550 1
1 1084 . 12 1 1 A 89 89 ARG N N 89 127.945 123.527 4.418 1
1 1085 . 12 1 1 A 90 90 PHE HA H 90 5.021 5.352 -0.331 1
1 1093 . 12 1 1 A 90 90 PHE CA C 90 55.089 55.555 -0.466 1
1 1094 . 12 1 1 A 90 90 PHE CB C 90 40.446 42.083 -1.637 1
1 1100 . 12 1 1 A 91 91 SER HA H 91 4.639 4.325 0.314 1
1 1103 . 12 1 1 A 91 91 SER CA C 91 56.242 57.575 -1.333 1
1 1104 . 12 1 1 A 91 91 SER CB C 91 62.621 60.820 1.801 1
1 1105 . 12 1 1 A 92 92 TYR HA H 92 4.268 4.428 -0.160 1
1 1112 . 12 1 1 A 92 92 TYR C C 92 176.450 176.724 -0.274 1
1 1113 . 12 1 1 A 92 92 TYR CA C 92 59.575 60.594 -1.019 1
1 1114 . 12 1 1 A 92 92 TYR CB C 92 37.283 37.669 -0.386 1
1 1119 . 12 1 1 A 93 93 LYS H H 93 7.405 7.852 -0.447 1
1 1120 . 12 1 1 A 93 93 LYS HA H 93 3.749 4.009 -0.260 1
1 1129 . 12 1 1 A 93 93 LYS C C 93 177.715 177.147 0.568 1
1 1130 . 12 1 1 A 93 93 LYS CA C 93 58.446 57.901 0.545 1
1 1131 . 12 1 1 A 93 93 LYS CB C 93 31.822 31.095 0.727 1
1 1135 . 12 1 1 A 93 93 LYS N N 93 120.689 119.254 1.435 1
1 1136 . 12 1 1 A 94 94 LYS H H 94 7.405 7.583 -0.178 1
1 1137 . 12 1 1 A 94 94 LYS HA H 94 4.079 4.411 -0.332 1
1 1146 . 12 1 1 A 94 94 LYS C C 94 176.709 176.241 0.468 1
1 1147 . 12 1 1 A 94 94 LYS CA C 94 56.479 55.618 0.861 1
1 1148 . 12 1 1 A 94 94 LYS CB C 94 32.760 33.304 -0.544 1
1 1152 . 12 1 1 A 94 94 LYS N N 94 115.712 117.002 -1.290 1
1 1153 . 12 1 1 A 95 95 CYS H H 95 7.537 7.778 -0.241 1
1 1154 . 12 1 1 A 95 95 CYS HA H 95 3.937 4.727 -0.790 1
1 1157 . 12 1 1 A 95 95 CYS C C 95 173.487 174.047 -0.560 1
1 1158 . 12 1 1 A 95 95 CYS CA C 95 61.795 58.228 3.567 1
1 1159 . 12 1 1 A 95 95 CYS CB C 95 27.546 26.219 1.327 1
1 1160 . 12 1 1 A 95 95 CYS N N 95 115.586 120.307 -4.721 1
1 1161 . 12 1 1 A 96 96 VAL HA H 96 4.154 4.373 -0.219 1
1 1169 . 12 1 1 A 96 96 VAL C C 96 175.216 175.714 -0.498 1
1 1170 . 12 1 1 A 96 96 VAL CA C 96 61.916 63.206 -1.290 1
1 1171 . 12 1 1 A 96 96 VAL CB C 96 31.695 33.496 -1.801 1
1 1174 . 12 1 1 A 97 97 LEU H H 97 8.002 7.599 0.403 1
1 1175 . 12 1 1 A 97 97 LEU HA H 97 4.316 4.620 -0.304 1
1 1185 . 12 1 1 A 97 97 LEU C C 97 176.168 175.137 1.031 1
1 1186 . 12 1 1 A 97 97 LEU CA C 97 54.770 54.211 0.559 1
1 1187 . 12 1 1 A 97 97 LEU CB C 97 42.558 44.877 -2.319 1
1 1191 . 12 1 1 A 97 97 LEU N N 97 124.364 118.074 6.290 1
1 1192 . 12 1 1 A 98 98 GLU H H 98 8.345 8.571 -0.226 1
1 1193 . 12 1 1 A 98 98 GLU HA H 98 4.301 4.308 -0.007 1
1 1198 . 12 1 1 A 98 98 GLU C C 98 175.732 176.429 -0.697 1
1 1199 . 12 1 1 A 98 98 GLU CA C 98 55.988 57.008 -1.020 1
1 1200 . 12 1 1 A 98 98 GLU CB C 98 30.989 29.540 1.449 1
1 1 . 13 1 1 A 2 2 ALA HA H 2 4.102 5.140 -1.038 1
1 5 . 13 1 1 A 2 2 ALA CA C 2 51.775 51.220 0.555 1
1 6 . 13 1 1 A 2 2 ALA CB C 2 19.665 20.236 -0.571 1
1 7 . 13 1 1 A 3 3 LYS HA H 3 4.329 4.757 -0.428 1
1 15 . 13 1 1 A 3 3 LYS C C 3 176.086 174.490 1.596 1
1 16 . 13 1 1 A 3 3 LYS CA C 3 56.354 55.919 0.435 1
1 17 . 13 1 1 A 3 3 LYS CB C 3 33.325 35.669 -2.344 1
1 21 . 13 1 1 A 4 4 ALA H H 4 8.515 8.732 -0.217 1
1 22 . 13 1 1 A 4 4 ALA HA H 4 4.356 5.187 -0.831 1
1 26 . 13 1 1 A 4 4 ALA C C 4 177.307 176.108 1.199 1
1 27 . 13 1 1 A 4 4 ALA CA C 4 52.316 51.122 1.194 1
1 28 . 13 1 1 A 4 4 ALA CB C 4 19.421 21.477 -2.056 1
1 29 . 13 1 1 A 4 4 ALA N N 4 126.866 127.971 -1.105 1
1 30 . 13 1 1 A 5 5 GLN H H 5 8.521 8.663 -0.142 1
1 31 . 13 1 1 A 5 5 GLN HA H 5 4.652 4.715 -0.063 1
1 38 . 13 1 1 A 5 5 GLN C C 5 173.576 173.858 -0.282 1
1 39 . 13 1 1 A 5 5 GLN CA C 5 53.470 53.636 -0.166 1
1 40 . 13 1 1 A 5 5 GLN CB C 5 29.457 27.847 1.610 1
1 42 . 13 1 1 A 5 5 GLN N N 5 122.182 122.401 -0.219 1
1 44 . 13 1 1 A 6 6 PRO HA H 6 4.587 4.504 0.083 1
1 51 . 13 1 1 A 6 6 PRO C C 6 176.481 176.728 -0.247 1
1 52 . 13 1 1 A 6 6 PRO CA C 6 63.028 63.109 -0.081 1
1 53 . 13 1 1 A 6 6 PRO CB C 6 32.905 32.120 0.785 1
1 56 . 13 1 1 A 7 7 ILE H H 7 8.581 8.489 0.092 1
1 57 . 13 1 1 A 7 7 ILE HA H 7 4.245 4.228 0.017 1
1 67 . 13 1 1 A 7 7 ILE C C 7 174.129 174.678 -0.549 1
1 68 . 13 1 1 A 7 7 ILE CA C 7 60.613 60.946 -0.333 1
1 69 . 13 1 1 A 7 7 ILE CB C 7 40.266 36.825 3.441 1
1 73 . 13 1 1 A 7 7 ILE N N 7 120.418 124.007 -3.589 1
1 74 . 13 1 1 A 8 8 GLU H H 8 8.572 8.520 0.052 1
1 75 . 13 1 1 A 8 8 GLU HA H 8 5.363 5.145 0.218 1
1 80 . 13 1 1 A 8 8 GLU C C 8 175.806 175.458 0.348 1
1 81 . 13 1 1 A 8 8 GLU CA C 8 54.749 55.173 -0.424 1
1 82 . 13 1 1 A 8 8 GLU CB C 8 31.505 30.929 0.576 1
1 84 . 13 1 1 A 8 8 GLU N N 8 128.440 128.528 -0.088 1
1 85 . 13 1 1 A 9 9 ILE H H 9 8.591 8.980 -0.389 1
1 86 . 13 1 1 A 9 9 ILE HA H 9 4.111 4.518 -0.407 1
1 96 . 13 1 1 A 9 9 ILE C C 9 174.977 176.189 -1.212 1
1 97 . 13 1 1 A 9 9 ILE CA C 9 60.967 60.085 0.882 1
1 98 . 13 1 1 A 9 9 ILE CB C 9 41.559 40.052 1.507 1
1 102 . 13 1 1 A 9 9 ILE N N 9 123.957 127.945 -3.988 1
1 103 . 13 1 1 A 10 10 ALA H H 10 9.398 9.203 0.195 1
1 104 . 13 1 1 A 10 10 ALA HA H 10 4.072 4.105 -0.033 1
1 108 . 13 1 1 A 10 10 ALA C C 10 177.026 177.163 -0.137 1
1 109 . 13 1 1 A 10 10 ALA CA C 10 52.646 53.444 -0.798 1
1 110 . 13 1 1 A 10 10 ALA CB C 10 18.121 18.070 0.051 1
1 111 . 13 1 1 A 10 10 ALA N N 10 130.074 131.982 -1.908 1
1 112 . 13 1 1 A 11 11 GLY H H 11 8.958 8.553 0.405 1
1 113 . 13 1 1 A 11 11 GLY HA2 H 11 4.046 3.690 0.356 1
1 114 . 13 1 1 A 11 11 GLY HA3 H 11 3.570 3.734 -0.164 1
1 115 . 13 1 1 A 11 11 GLY C C 11 174.139 173.761 0.378 1
1 116 . 13 1 1 A 11 11 GLY CA C 11 45.467 45.349 0.118 1
1 117 . 13 1 1 A 11 11 GLY N N 11 105.460 103.291 2.169 1
1 118 . 13 1 1 A 12 12 HIS H H 12 8.189 8.127 0.062 1
1 119 . 13 1 1 A 12 12 HIS HA H 12 4.325 4.353 -0.028 1
1 124 . 13 1 1 A 12 12 HIS C C 12 173.060 174.056 -0.996 1
1 125 . 13 1 1 A 12 12 HIS CA C 12 54.628 55.171 -0.543 1
1 126 . 13 1 1 A 12 12 HIS CB C 12 30.432 29.881 0.551 1
1 129 . 13 1 1 A 12 12 HIS N N 12 120.216 118.962 1.254 1
1 130 . 13 1 1 A 13 13 GLU H H 13 8.338 8.478 -0.140 1
1 131 . 13 1 1 A 13 13 GLU HA H 13 4.659 4.818 -0.159 1
1 136 . 13 1 1 A 13 13 GLU C C 13 175.231 175.681 -0.450 1
1 137 . 13 1 1 A 13 13 GLU CA C 13 55.147 55.672 -0.525 1
1 138 . 13 1 1 A 13 13 GLU CB C 13 31.218 30.453 0.765 1
1 140 . 13 1 1 A 13 13 GLU N N 13 122.925 123.440 -0.515 1
1 141 . 13 1 1 A 14 14 PHE H H 14 9.117 9.000 0.117 1
1 142 . 13 1 1 A 14 14 PHE HA H 14 4.941 5.002 -0.061 1
1 150 . 13 1 1 A 14 14 PHE C C 14 175.179 176.071 -0.892 1
1 151 . 13 1 1 A 14 14 PHE CA C 14 56.302 56.228 0.074 1
1 152 . 13 1 1 A 14 14 PHE CB C 14 41.499 41.846 -0.347 1
1 158 . 13 1 1 A 14 14 PHE N N 14 123.141 119.703 3.438 1
1 159 . 13 1 1 A 15 15 ALA H H 15 9.393 8.759 0.634 1
1 160 . 13 1 1 A 15 15 ALA HA H 15 4.130 4.218 -0.088 1
1 164 . 13 1 1 A 15 15 ALA C C 15 177.675 177.367 0.308 1
1 165 . 13 1 1 A 15 15 ALA CA C 15 54.880 54.434 0.446 1
1 166 . 13 1 1 A 15 15 ALA CB C 15 18.986 19.187 -0.201 1
1 167 . 13 1 1 A 15 15 ALA N N 15 126.102 126.330 -0.228 1
1 168 . 13 1 1 A 16 16 ARG H H 16 7.756 7.861 -0.105 1
1 169 . 13 1 1 A 16 16 ARG HA H 16 4.809 4.789 0.020 1
1 176 . 13 1 1 A 16 16 ARG C C 16 177.344 176.064 1.280 1
1 177 . 13 1 1 A 16 16 ARG CA C 16 53.409 55.103 -1.694 1
1 178 . 13 1 1 A 16 16 ARG CB C 16 33.323 33.260 0.063 1
1 181 . 13 1 1 A 16 16 ARG N N 16 110.189 117.811 -7.622 1
1 182 . 13 1 1 A 17 17 LYS H H 17 9.303 8.881 0.422 1
1 183 . 13 1 1 A 17 17 LYS HA H 17 3.742 3.914 -0.172 1
1 192 . 13 1 1 A 17 17 LYS C C 17 178.667 177.990 0.677 1
1 193 . 13 1 1 A 17 17 LYS CA C 17 60.663 59.460 1.203 1
1 194 . 13 1 1 A 17 17 LYS CB C 17 32.005 32.069 -0.064 1
1 198 . 13 1 1 A 17 17 LYS N N 17 125.242 125.958 -0.716 1
1 199 . 13 1 1 A 18 18 ALA H H 18 8.777 8.313 0.464 1
1 200 . 13 1 1 A 18 18 ALA HA H 18 4.046 4.092 -0.046 1
1 204 . 13 1 1 A 18 18 ALA C C 18 180.134 179.579 0.555 1
1 205 . 13 1 1 A 18 18 ALA CA C 18 55.181 54.405 0.776 1
1 206 . 13 1 1 A 18 18 ALA CB C 18 18.633 18.334 0.299 1
1 207 . 13 1 1 A 18 18 ALA N N 18 118.670 120.963 -2.293 1
1 208 . 13 1 1 A 19 19 ASP H H 19 7.454 8.125 -0.671 1
1 209 . 13 1 1 A 19 19 ASP HA H 19 4.586 4.374 0.212 1
1 212 . 13 1 1 A 19 19 ASP C C 19 178.469 177.943 0.526 1
1 213 . 13 1 1 A 19 19 ASP CA C 19 57.082 56.696 0.386 1
1 214 . 13 1 1 A 19 19 ASP CB C 19 41.304 40.826 0.478 1
1 215 . 13 1 1 A 19 19 ASP N N 19 117.020 118.965 -1.945 1
1 216 . 13 1 1 A 20 20 ALA H H 20 7.123 7.518 -0.395 1
1 217 . 13 1 1 A 20 20 ALA HA H 20 2.604 2.825 -0.221 1
1 221 . 13 1 1 A 20 20 ALA C C 20 178.706 179.922 -1.216 1
1 222 . 13 1 1 A 20 20 ALA CA C 20 54.453 54.571 -0.118 1
1 223 . 13 1 1 A 20 20 ALA CB C 20 18.199 17.629 0.570 1
1 224 . 13 1 1 A 20 20 ALA N N 20 124.691 121.657 3.034 1
1 225 . 13 1 1 A 21 21 LEU H H 21 7.871 7.882 -0.011 1
1 226 . 13 1 1 A 21 21 LEU HA H 21 4.008 4.047 -0.039 1
1 236 . 13 1 1 A 21 21 LEU C C 21 179.041 179.131 -0.090 1
1 237 . 13 1 1 A 21 21 LEU CA C 21 58.398 58.029 0.369 1
1 238 . 13 1 1 A 21 21 LEU CB C 21 41.382 41.395 -0.013 1
1 242 . 13 1 1 A 21 21 LEU N N 21 116.889 118.797 -1.908 1
1 243 . 13 1 1 A 22 22 ALA H H 22 7.972 7.885 0.087 1
1 244 . 13 1 1 A 22 22 ALA HA H 22 4.158 4.105 0.053 1
1 248 . 13 1 1 A 22 22 ALA C C 22 179.288 179.402 -0.114 1
1 249 . 13 1 1 A 22 22 ALA CA C 22 55.180 55.139 0.041 1
1 250 . 13 1 1 A 22 22 ALA CB C 22 18.013 18.692 -0.679 1
1 251 . 13 1 1 A 22 22 ALA N N 22 121.219 121.147 0.072 1
1 252 . 13 1 1 A 23 23 PHE H H 23 7.546 8.318 -0.772 1
1 253 . 13 1 1 A 23 23 PHE HA H 23 4.081 4.030 0.051 1
1 261 . 13 1 1 A 23 23 PHE C C 23 178.515 176.668 1.847 1
1 262 . 13 1 1 A 23 23 PHE CA C 23 61.520 61.593 -0.073 1
1 263 . 13 1 1 A 23 23 PHE CB C 23 40.296 39.330 0.966 1
1 269 . 13 1 1 A 23 23 PHE N N 23 119.034 119.722 -0.688 1
1 270 . 13 1 1 A 24 24 MET H H 24 7.595 8.236 -0.641 1
1 271 . 13 1 1 A 24 24 MET HA H 24 3.768 3.678 0.090 1
1 279 . 13 1 1 A 24 24 MET C C 24 176.037 178.383 -2.346 1
1 280 . 13 1 1 A 24 24 MET CA C 24 59.901 58.960 0.941 1
1 281 . 13 1 1 A 24 24 MET CB C 24 34.008 32.648 1.360 1
1 284 . 13 1 1 A 24 24 MET N N 24 118.377 117.192 1.185 1
1 285 . 13 1 1 A 25 25 LYS H H 25 8.131 7.932 0.199 1
1 286 . 13 1 1 A 25 25 LYS HA H 25 3.747 4.128 -0.381 1
1 295 . 13 1 1 A 25 25 LYS C C 25 178.865 178.469 0.396 1
1 296 . 13 1 1 A 25 25 LYS CA C 25 59.994 59.285 0.709 1
1 297 . 13 1 1 A 25 25 LYS CB C 25 32.365 32.328 0.037 1
1 301 . 13 1 1 A 25 25 LYS N N 25 121.901 120.065 1.836 1
1 302 . 13 1 1 A 26 26 VAL H H 26 7.986 8.202 -0.216 1
1 303 . 13 1 1 A 26 26 VAL HA H 26 3.515 3.540 -0.025 1
1 311 . 13 1 1 A 26 26 VAL C C 26 178.654 178.116 0.538 1
1 312 . 13 1 1 A 26 26 VAL CA C 26 66.337 66.574 -0.237 1
1 313 . 13 1 1 A 26 26 VAL CB C 26 31.302 31.511 -0.209 1
1 316 . 13 1 1 A 26 26 VAL N N 26 119.393 120.199 -0.806 1
1 317 . 13 1 1 A 27 27 MET H H 27 7.232 7.958 -0.726 1
1 318 . 13 1 1 A 27 27 MET HA H 27 3.586 4.070 -0.484 1
1 326 . 13 1 1 A 27 27 MET C C 27 177.564 178.217 -0.653 1
1 327 . 13 1 1 A 27 27 MET CA C 27 59.113 58.133 0.980 1
1 328 . 13 1 1 A 27 27 MET CB C 27 34.025 32.285 1.740 1
1 331 . 13 1 1 A 27 27 MET N N 27 119.647 118.459 1.188 1
1 332 . 13 1 1 A 28 28 LEU H H 28 8.201 7.911 0.290 1
1 333 . 13 1 1 A 28 28 LEU HA H 28 3.733 4.062 -0.329 1
1 343 . 13 1 1 A 28 28 LEU C C 28 178.075 178.110 -0.035 1
1 344 . 13 1 1 A 28 28 LEU CA C 28 57.980 57.142 0.838 1
1 345 . 13 1 1 A 28 28 LEU CB C 28 41.151 41.159 -0.008 1
1 349 . 13 1 1 A 28 28 LEU N N 28 118.420 123.853 -5.433 1
1 350 . 13 1 1 A 29 29 ASN H H 29 7.579 7.897 -0.318 1
1 351 . 13 1 1 A 29 29 ASN HA H 29 4.512 4.592 -0.080 1
1 356 . 13 1 1 A 29 29 ASN C C 29 176.087 177.615 -1.528 1
1 357 . 13 1 1 A 29 29 ASN CA C 29 54.286 54.709 -0.423 1
1 358 . 13 1 1 A 29 29 ASN CB C 29 38.984 38.751 0.233 1
1 359 . 13 1 1 A 29 29 ASN N N 29 112.254 116.586 -4.332 1
1 361 . 13 1 1 A 30 30 ARG H H 30 7.621 8.080 -0.459 1
1 362 . 13 1 1 A 30 30 ARG HA H 30 4.169 3.911 0.258 1
1 369 . 13 1 1 A 30 30 ARG C C 30 175.926 175.537 0.389 1
1 370 . 13 1 1 A 30 30 ARG CA C 30 57.482 58.472 -0.990 1
1 371 . 13 1 1 A 30 30 ARG CB C 30 30.404 29.834 0.570 1
1 374 . 13 1 1 A 30 30 ARG N N 30 118.878 119.354 -0.476 1
1 375 . 13 1 1 A 31 31 TYR H H 31 7.287 8.136 -0.849 1
1 376 . 13 1 1 A 31 31 TYR HA H 31 4.690 4.859 -0.169 1
1 383 . 13 1 1 A 31 31 TYR C C 31 174.348 175.411 -1.063 1
1 384 . 13 1 1 A 31 31 TYR CA C 31 58.118 57.229 0.889 1
1 385 . 13 1 1 A 31 31 TYR CB C 31 43.045 39.444 3.601 1
1 390 . 13 1 1 A 31 31 TYR N N 31 118.414 117.425 0.989 1
1 391 . 13 1 1 A 32 32 ARG H H 32 9.314 8.661 0.653 1
1 392 . 13 1 1 A 32 32 ARG HA H 32 4.913 4.371 0.542 1
1 399 . 13 1 1 A 32 32 ARG C C 32 173.525 176.066 -2.541 1
1 400 . 13 1 1 A 32 32 ARG CA C 32 52.775 54.814 -2.039 1
1 401 . 13 1 1 A 32 32 ARG CB C 32 30.292 29.543 0.749 1
1 404 . 13 1 1 A 32 32 ARG N N 32 121.876 125.110 -3.234 1
1 405 . 13 1 1 A 33 33 PRO HA H 33 3.870 4.334 -0.464 1
1 412 . 13 1 1 A 33 33 PRO C C 33 177.517 176.899 0.618 1
1 413 . 13 1 1 A 33 33 PRO CA C 33 64.332 63.755 0.577 1
1 414 . 13 1 1 A 33 33 PRO CB C 33 31.655 31.125 0.530 1
1 417 . 13 1 1 A 34 34 GLY H H 34 9.584 8.068 1.516 1
1 418 . 13 1 1 A 34 34 GLY HA2 H 34 4.422 4.064 0.358 1
1 419 . 13 1 1 A 34 34 GLY HA3 H 34 3.725 4.090 -0.365 1
1 420 . 13 1 1 A 34 34 GLY C C 34 174.605 173.034 1.571 1
1 421 . 13 1 1 A 34 34 GLY CA C 34 44.745 45.623 -0.878 1
1 422 . 13 1 1 A 34 34 GLY N N 34 115.669 107.292 8.377 1
1 423 . 13 1 1 A 35 35 ASP H H 35 8.252 7.762 0.490 1
1 424 . 13 1 1 A 35 35 ASP HA H 35 4.691 5.154 -0.463 1
1 427 . 13 1 1 A 35 35 ASP C C 35 175.279 174.813 0.466 1
1 428 . 13 1 1 A 35 35 ASP CA C 35 55.195 52.862 2.333 1
1 429 . 13 1 1 A 35 35 ASP CB C 35 42.301 44.538 -2.237 1
1 430 . 13 1 1 A 35 35 ASP N N 35 122.076 119.359 2.717 1
1 431 . 13 1 1 A 36 36 ILE H H 36 8.194 8.928 -0.734 1
1 432 . 13 1 1 A 36 36 ILE HA H 36 4.546 4.663 -0.117 1
1 442 . 13 1 1 A 36 36 ILE C C 36 176.709 175.873 0.836 1
1 443 . 13 1 1 A 36 36 ILE CA C 36 59.572 59.805 -0.233 1
1 444 . 13 1 1 A 36 36 ILE CB C 36 37.870 39.578 -1.708 1
1 448 . 13 1 1 A 36 36 ILE N N 36 120.260 120.751 -0.491 1
1 449 . 13 1 1 A 37 37 VAL H H 37 7.963 8.779 -0.816 1
1 450 . 13 1 1 A 37 37 VAL HA H 37 3.671 3.119 0.552 1
1 458 . 13 1 1 A 37 37 VAL C C 37 176.530 175.940 0.590 1
1 459 . 13 1 1 A 37 37 VAL CA C 37 62.969 62.875 0.094 1
1 460 . 13 1 1 A 37 37 VAL CB C 37 32.201 31.259 0.942 1
1 463 . 13 1 1 A 37 37 VAL N N 37 126.533 127.929 -1.396 1
1 464 . 13 1 1 A 38 38 SER H H 38 8.852 8.742 0.110 1
1 465 . 13 1 1 A 38 38 SER HA H 38 4.600 4.697 -0.097 1
1 468 . 13 1 1 A 38 38 SER C C 38 174.950 175.334 -0.384 1
1 469 . 13 1 1 A 38 38 SER CA C 38 58.147 58.029 0.118 1
1 470 . 13 1 1 A 38 38 SER CB C 38 65.224 64.424 0.800 1
1 471 . 13 1 1 A 38 38 SER N N 38 122.752 122.054 0.698 1
1 472 . 13 1 1 A 39 39 THR H H 39 8.870 8.836 0.034 1
1 473 . 13 1 1 A 39 39 THR HA H 39 4.153 4.034 0.119 1
1 478 . 13 1 1 A 39 39 THR C C 39 177.855 176.227 1.628 1
1 479 . 13 1 1 A 39 39 THR CA C 39 66.299 67.042 -0.743 1
1 480 . 13 1 1 A 39 39 THR CB C 39 68.559 68.845 -0.286 1
1 482 . 13 1 1 A 39 39 THR N N 39 116.391 119.945 -3.554 1
1 483 . 13 1 1 A 40 40 VAL H H 40 8.018 8.222 -0.204 1
1 484 . 13 1 1 A 40 40 VAL HA H 40 4.028 3.614 0.414 1
1 492 . 13 1 1 A 40 40 VAL C C 40 178.339 177.575 0.764 1
1 493 . 13 1 1 A 40 40 VAL CA C 40 65.776 66.764 -0.988 1
1 494 . 13 1 1 A 40 40 VAL CB C 40 32.139 31.701 0.438 1
1 497 . 13 1 1 A 40 40 VAL N N 40 121.035 121.889 -0.854 1
1 498 . 13 1 1 A 41 41 ASP H H 41 7.610 8.826 -1.216 1
1 499 . 13 1 1 A 41 41 ASP HA H 41 4.570 4.396 0.174 1
1 502 . 13 1 1 A 41 41 ASP C C 41 178.746 179.900 -1.154 1
1 503 . 13 1 1 A 41 41 ASP CA C 41 57.492 56.981 0.511 1
1 504 . 13 1 1 A 41 41 ASP CB C 41 39.740 40.095 -0.355 1
1 505 . 13 1 1 A 41 41 ASP N N 41 124.108 119.216 4.892 1
1 506 . 13 1 1 A 42 42 GLY H H 42 9.363 8.630 0.733 1
1 507 . 13 1 1 A 42 42 GLY HA2 H 42 4.186 3.434 0.752 1
1 508 . 13 1 1 A 42 42 GLY HA3 H 42 3.584 3.825 -0.241 1
1 509 . 13 1 1 A 42 42 GLY C C 42 175.329 176.365 -1.036 1
1 510 . 13 1 1 A 42 42 GLY CA C 42 46.944 47.063 -0.119 1
1 511 . 13 1 1 A 42 42 GLY N N 42 109.572 109.389 0.183 1
1 512 . 13 1 1 A 43 43 ALA H H 43 7.949 8.363 -0.414 1
1 513 . 13 1 1 A 43 43 ALA HA H 43 4.240 4.039 0.201 1
1 517 . 13 1 1 A 43 43 ALA C C 43 180.375 179.496 0.879 1
1 518 . 13 1 1 A 43 43 ALA CA C 43 54.897 54.750 0.147 1
1 519 . 13 1 1 A 43 43 ALA CB C 43 17.895 18.379 -0.484 1
1 520 . 13 1 1 A 43 43 ALA N N 43 123.561 124.615 -1.054 1
1 521 . 13 1 1 A 44 44 PHE H H 44 7.337 7.930 -0.593 1
1 522 . 13 1 1 A 44 44 PHE HA H 44 3.957 4.153 -0.196 1
1 530 . 13 1 1 A 44 44 PHE C C 44 177.252 176.771 0.481 1
1 531 . 13 1 1 A 44 44 PHE CA C 44 61.508 61.532 -0.024 1
1 532 . 13 1 1 A 44 44 PHE CB C 44 38.993 39.312 -0.319 1
1 538 . 13 1 1 A 44 44 PHE N N 44 118.542 120.048 -1.506 1
1 539 . 13 1 1 A 45 45 LEU H H 45 8.301 7.741 0.560 1
1 540 . 13 1 1 A 45 45 LEU HA H 45 3.741 3.753 -0.012 1
1 550 . 13 1 1 A 45 45 LEU C C 45 178.847 178.915 -0.068 1
1 551 . 13 1 1 A 45 45 LEU CA C 45 57.643 57.711 -0.068 1
1 552 . 13 1 1 A 45 45 LEU CB C 45 41.274 41.206 0.068 1
1 556 . 13 1 1 A 45 45 LEU N N 45 119.345 119.702 -0.357 1
1 557 . 13 1 1 A 46 46 VAL H H 46 8.562 8.137 0.425 1
1 558 . 13 1 1 A 46 46 VAL HA H 46 3.759 3.547 0.212 1
1 566 . 13 1 1 A 46 46 VAL C C 46 177.077 177.260 -0.183 1
1 567 . 13 1 1 A 46 46 VAL CA C 46 67.081 66.947 0.134 1
1 568 . 13 1 1 A 46 46 VAL CB C 46 31.639 31.384 0.255 1
1 571 . 13 1 1 A 46 46 VAL N N 46 118.458 118.391 0.067 1
1 572 . 13 1 1 A 47 47 GLU H H 47 6.896 8.276 -1.380 1
1 573 . 13 1 1 A 47 47 GLU HA H 47 4.019 3.968 0.051 1
1 578 . 13 1 1 A 47 47 GLU C C 47 179.738 179.526 0.212 1
1 579 . 13 1 1 A 47 47 GLU CA C 47 58.582 59.151 -0.569 1
1 580 . 13 1 1 A 47 47 GLU CB C 47 29.029 29.672 -0.643 1
1 582 . 13 1 1 A 47 47 GLU N N 47 117.916 119.514 -1.598 1
1 583 . 13 1 1 A 48 48 ALA H H 48 8.310 7.807 0.503 1
1 584 . 13 1 1 A 48 48 ALA HA H 48 3.761 3.869 -0.108 1
1 588 . 13 1 1 A 48 48 ALA C C 48 179.636 179.003 0.633 1
1 589 . 13 1 1 A 48 48 ALA CA C 48 55.769 54.325 1.444 1
1 590 . 13 1 1 A 48 48 ALA CB C 48 17.370 18.116 -0.746 1
1 591 . 13 1 1 A 48 48 ALA N N 48 123.600 122.086 1.514 1
1 592 . 13 1 1 A 49 49 LEU H H 49 8.724 7.865 0.859 1
1 593 . 13 1 1 A 49 49 LEU HA H 49 3.924 4.097 -0.173 1
1 603 . 13 1 1 A 49 49 LEU C C 49 178.188 178.708 -0.520 1
1 604 . 13 1 1 A 49 49 LEU CA C 49 57.387 57.183 0.204 1
1 605 . 13 1 1 A 49 49 LEU CB C 49 41.780 41.981 -0.201 1
1 609 . 13 1 1 A 49 49 LEU N N 49 119.812 120.819 -1.007 1
1 610 . 13 1 1 A 50 50 LYS H H 50 7.421 8.354 -0.933 1
1 611 . 13 1 1 A 50 50 LYS HA H 50 3.856 3.862 -0.006 1
1 620 . 13 1 1 A 50 50 LYS C C 50 177.592 178.962 -1.370 1
1 621 . 13 1 1 A 50 50 LYS CA C 50 59.345 59.702 -0.357 1
1 622 . 13 1 1 A 50 50 LYS CB C 50 32.757 32.015 0.742 1
1 626 . 13 1 1 A 50 50 LYS N N 50 115.568 118.728 -3.160 1
1 627 . 13 1 1 A 51 51 ARG H H 51 7.787 7.740 0.047 1
1 628 . 13 1 1 A 51 51 ARG HA H 51 4.356 4.088 0.268 1
1 635 . 13 1 1 A 51 51 ARG C C 51 176.424 176.075 0.349 1
1 636 . 13 1 1 A 51 51 ARG CA C 51 55.690 57.643 -1.953 1
1 637 . 13 1 1 A 51 51 ARG CB C 51 30.227 29.699 0.528 1
1 640 . 13 1 1 A 51 51 ARG N N 51 115.686 116.141 -0.455 1
1 641 . 13 1 1 A 52 52 HIS H H 52 8.159 7.471 0.688 1
1 642 . 13 1 1 A 52 52 HIS HA H 52 4.512 4.645 -0.133 1
1 646 . 13 1 1 A 52 52 HIS C C 52 175.409 175.123 0.286 1
1 647 . 13 1 1 A 52 52 HIS CA C 52 56.087 54.607 1.480 1
1 648 . 13 1 1 A 52 52 HIS CB C 52 32.904 30.635 2.269 1
1 650 . 13 1 1 A 52 52 HIS N N 52 125.025 119.551 5.474 1
1 651 . 13 1 1 A 53 53 PRO HA H 53 4.341 4.417 -0.076 1
1 658 . 13 1 1 A 53 53 PRO CA C 53 65.210 64.775 0.435 1
1 659 . 13 1 1 A 53 53 PRO CB C 53 31.791 31.891 -0.100 1
1 662 . 13 1 1 A 54 54 ASP H H 54 8.058 8.764 -0.706 1
1 663 . 13 1 1 A 54 54 ASP HA H 54 5.184 4.587 0.597 1
1 666 . 13 1 1 A 54 54 ASP C C 54 176.079 177.449 -1.370 1
1 667 . 13 1 1 A 54 54 ASP CA C 54 52.778 53.937 -1.159 1
1 668 . 13 1 1 A 54 54 ASP CB C 54 41.573 40.192 1.381 1
1 669 . 13 1 1 A 55 55 ALA H H 55 7.731 7.647 0.084 1
1 670 . 13 1 1 A 55 55 ALA HA H 55 3.589 4.016 -0.427 1
1 674 . 13 1 1 A 55 55 ALA C C 55 178.550 179.734 -1.184 1
1 675 . 13 1 1 A 55 55 ALA CA C 55 57.024 55.196 1.828 1
1 676 . 13 1 1 A 55 55 ALA CB C 55 20.320 18.680 1.640 1
1 677 . 13 1 1 A 55 55 ALA N N 55 122.261 124.323 -2.062 1
1 678 . 13 1 1 A 56 56 THR H H 56 8.405 8.169 0.236 1
1 679 . 13 1 1 A 56 56 THR HA H 56 3.804 3.935 -0.131 1
1 684 . 13 1 1 A 56 56 THR C C 56 177.743 176.751 0.992 1
1 685 . 13 1 1 A 56 56 THR CA C 56 67.024 65.376 1.648 1
1 686 . 13 1 1 A 56 56 THR CB C 56 68.257 68.847 -0.590 1
1 688 . 13 1 1 A 56 56 THR N N 56 110.600 113.300 -2.700 1
1 689 . 13 1 1 A 57 57 SER H H 57 7.907 7.850 0.057 1
1 690 . 13 1 1 A 57 57 SER HA H 57 4.251 4.216 0.035 1
1 693 . 13 1 1 A 57 57 SER C C 57 176.547 175.404 1.143 1
1 694 . 13 1 1 A 57 57 SER CA C 57 60.395 61.427 -1.032 1
1 695 . 13 1 1 A 57 57 SER CB C 57 62.766 63.479 -0.713 1
1 696 . 13 1 1 A 57 57 SER N N 57 117.623 117.770 -0.147 1
1 697 . 13 1 1 A 58 58 LYS H H 58 8.180 7.253 0.927 1
1 698 . 13 1 1 A 58 58 LYS HA H 58 3.687 4.180 -0.493 1
1 707 . 13 1 1 A 58 58 LYS C C 58 178.074 178.854 -0.780 1
1 708 . 13 1 1 A 58 58 LYS CA C 58 58.090 57.624 0.466 1
1 709 . 13 1 1 A 58 58 LYS CB C 58 32.328 32.619 -0.291 1
1 713 . 13 1 1 A 58 58 LYS N N 58 120.772 120.189 0.583 1
1 714 . 13 1 1 A 59 59 ILE H H 59 8.407 7.919 0.488 1
1 715 . 13 1 1 A 59 59 ILE HA H 59 3.336 3.927 -0.591 1
1 725 . 13 1 1 A 59 59 ILE C C 59 176.705 176.868 -0.163 1
1 726 . 13 1 1 A 59 59 ILE CA C 59 64.224 62.949 1.275 1
1 727 . 13 1 1 A 59 59 ILE CB C 59 38.989 38.683 0.306 1
1 731 . 13 1 1 A 59 59 ILE N N 59 119.024 118.015 1.009 1
1 732 . 13 1 1 A 60 60 GLY H H 60 7.360 8.254 -0.894 1
1 733 . 13 1 1 A 60 60 GLY HA2 H 60 3.884 3.930 -0.046 1
1 734 . 13 1 1 A 60 60 GLY HA3 H 60 3.614 3.932 -0.318 1
1 735 . 13 1 1 A 60 60 GLY C C 60 173.964 174.697 -0.733 1
1 736 . 13 1 1 A 60 60 GLY CA C 60 44.586 45.494 -0.908 1
1 737 . 13 1 1 A 60 60 GLY N N 60 106.081 110.122 -4.041 1
1 738 . 13 1 1 A 61 61 PRO HA H 61 4.486 4.478 0.008 1
1 745 . 13 1 1 A 61 61 PRO C C 61 175.603 176.149 -0.546 1
1 746 . 13 1 1 A 61 61 PRO CA C 61 63.473 63.851 -0.378 1
1 747 . 13 1 1 A 61 61 PRO CB C 61 31.981 31.672 0.309 1
1 750 . 13 1 1 A 62 62 GLY H H 62 7.835 6.967 0.868 1
1 751 . 13 1 1 A 62 62 GLY HA2 H 62 4.378 4.023 0.355 1
1 752 . 13 1 1 A 62 62 GLY HA3 H 62 3.416 4.023 -0.607 1
1 753 . 13 1 1 A 62 62 GLY C C 62 172.596 172.184 0.412 1
1 754 . 13 1 1 A 62 62 GLY CA C 62 44.498 44.764 -0.266 1
1 755 . 13 1 1 A 62 62 GLY N N 62 110.214 107.918 2.296 1
1 756 . 13 1 1 A 63 63 VAL H H 63 8.646 8.521 0.125 1
1 757 . 13 1 1 A 63 63 VAL HA H 63 3.668 4.192 -0.524 1
1 765 . 13 1 1 A 63 63 VAL C C 63 175.808 175.747 0.061 1
1 766 . 13 1 1 A 63 63 VAL CA C 63 63.681 62.123 1.558 1
1 767 . 13 1 1 A 63 63 VAL CB C 63 32.863 32.376 0.487 1
1 770 . 13 1 1 A 63 63 VAL N N 63 122.735 120.925 1.810 1
1 771 . 13 1 1 A 64 64 ARG H H 64 9.524 9.337 0.187 1
1 772 . 13 1 1 A 64 64 ARG HA H 64 4.254 4.352 -0.098 1
1 779 . 13 1 1 A 64 64 ARG C C 64 175.574 175.912 -0.338 1
1 780 . 13 1 1 A 64 64 ARG CA C 64 57.310 57.362 -0.052 1
1 781 . 13 1 1 A 64 64 ARG CB C 64 31.928 31.268 0.660 1
1 784 . 13 1 1 A 64 64 ARG N N 64 129.782 128.828 0.954 1
1 785 . 13 1 1 A 65 65 ASN H H 65 8.089 7.186 0.903 1
1 786 . 13 1 1 A 65 65 ASN HA H 65 4.662 4.964 -0.302 1
1 791 . 13 1 1 A 65 65 ASN C C 65 171.753 172.057 -0.304 1
1 792 . 13 1 1 A 65 65 ASN CA C 65 53.279 52.014 1.265 1
1 793 . 13 1 1 A 65 65 ASN CB C 65 43.717 39.991 3.726 1
1 794 . 13 1 1 A 65 65 ASN N N 65 114.163 112.329 1.834 1
1 796 . 13 1 1 A 66 66 PHE H H 66 9.064 8.675 0.389 1
1 797 . 13 1 1 A 66 66 PHE HA H 66 5.738 5.641 0.097 1
1 805 . 13 1 1 A 66 66 PHE C C 66 174.834 174.234 0.600 1
1 806 . 13 1 1 A 66 66 PHE CA C 66 56.578 56.341 0.237 1
1 807 . 13 1 1 A 66 66 PHE CB C 66 41.888 43.337 -1.449 1
1 813 . 13 1 1 A 66 66 PHE N N 66 114.774 116.389 -1.615 1
1 814 . 13 1 1 A 67 67 GLU H H 67 9.328 9.202 0.126 1
1 815 . 13 1 1 A 67 67 GLU HA H 67 5.307 5.151 0.156 1
1 820 . 13 1 1 A 67 67 GLU C C 67 174.999 174.886 0.113 1
1 821 . 13 1 1 A 67 67 GLU CA C 67 54.003 54.634 -0.631 1
1 822 . 13 1 1 A 67 67 GLU CB C 67 35.678 33.655 2.023 1
1 824 . 13 1 1 A 67 67 GLU N N 67 122.005 121.587 0.418 1
1 825 . 13 1 1 A 68 68 VAL H H 68 8.598 8.542 0.056 1
1 826 . 13 1 1 A 68 68 VAL HA H 68 4.859 4.676 0.183 1
1 834 . 13 1 1 A 68 68 VAL C C 68 175.361 174.745 0.616 1
1 835 . 13 1 1 A 68 68 VAL CA C 68 62.102 61.382 0.720 1
1 836 . 13 1 1 A 68 68 VAL CB C 68 32.865 32.618 0.247 1
1 839 . 13 1 1 A 68 68 VAL N N 68 124.692 126.768 -2.076 1
1 840 . 13 1 1 A 69 69 ARG H H 69 8.896 8.438 0.458 1
1 841 . 13 1 1 A 69 69 ARG HA H 69 4.888 4.697 0.191 1
1 848 . 13 1 1 A 69 69 ARG C C 69 175.469 174.602 0.867 1
1 849 . 13 1 1 A 69 69 ARG CA C 69 54.384 54.382 0.002 1
1 850 . 13 1 1 A 69 69 ARG CB C 69 34.979 33.994 0.985 1
1 853 . 13 1 1 A 69 69 ARG N N 69 123.599 127.822 -4.223 1
1 854 . 13 1 1 A 70 70 SER H H 70 8.758 8.876 -0.118 1
1 855 . 13 1 1 A 70 70 SER HA H 70 4.511 4.606 -0.095 1
1 858 . 13 1 1 A 70 70 SER C C 70 173.488 173.880 -0.392 1
1 859 . 13 1 1 A 70 70 SER CA C 70 59.858 58.045 1.813 1
1 860 . 13 1 1 A 70 70 SER CB C 70 63.927 64.545 -0.618 1
1 861 . 13 1 1 A 70 70 SER N N 70 116.239 117.464 -1.225 1
1 862 . 13 1 1 A 71 71 ALA H H 71 8.456 8.663 -0.207 1
1 863 . 13 1 1 A 71 71 ALA HA H 71 4.688 4.545 0.143 1
1 867 . 13 1 1 A 71 71 ALA C C 71 176.054 176.590 -0.536 1
1 868 . 13 1 1 A 71 71 ALA CA C 71 51.016 53.231 -2.215 1
1 869 . 13 1 1 A 71 71 ALA CB C 71 20.324 21.561 -1.237 1
1 870 . 13 1 1 A 71 71 ALA N N 71 128.999 123.759 5.240 1
1 871 . 13 1 1 A 72 72 ASP H H 72 7.968 7.959 0.009 1
1 872 . 13 1 1 A 72 72 ASP HA H 72 4.361 4.717 -0.356 1
1 875 . 13 1 1 A 72 72 ASP C C 72 176.444 176.262 0.182 1
1 876 . 13 1 1 A 72 72 ASP CA C 72 54.732 52.768 1.964 1
1 877 . 13 1 1 A 72 72 ASP CB C 72 41.060 43.176 -2.116 1
1 878 . 13 1 1 A 72 72 ASP N N 72 118.176 116.379 1.797 1
1 879 . 13 1 1 A 73 73 TYR H H 73 8.768 8.335 0.433 1
1 880 . 13 1 1 A 73 73 TYR HA H 73 4.309 4.067 0.242 1
1 887 . 13 1 1 A 73 73 TYR C C 73 176.601 177.162 -0.561 1
1 888 . 13 1 1 A 73 73 TYR CA C 73 58.799 60.715 -1.916 1
1 889 . 13 1 1 A 73 73 TYR CB C 73 36.239 38.133 -1.894 1
1 894 . 13 1 1 A 73 73 TYR N N 73 117.846 120.155 -2.309 1
1 895 . 13 1 1 A 74 74 GLY H H 74 8.533 8.126 0.407 1
1 896 . 13 1 1 A 74 74 GLY HA2 H 74 4.069 4.064 0.005 1
1 897 . 13 1 1 A 74 74 GLY HA3 H 74 3.844 4.074 -0.230 1
1 898 . 13 1 1 A 74 74 GLY C C 74 175.060 174.175 0.885 1
1 899 . 13 1 1 A 74 74 GLY CA C 74 46.117 45.591 0.526 1
1 900 . 13 1 1 A 74 74 GLY N N 74 108.255 107.166 1.089 1
1 901 . 13 1 1 A 75 75 THR H H 75 7.534 7.565 -0.031 1
1 902 . 13 1 1 A 75 75 THR HA H 75 4.687 5.032 -0.345 1
1 907 . 13 1 1 A 75 75 THR C C 75 173.779 173.320 0.459 1
1 908 . 13 1 1 A 75 75 THR CA C 75 61.115 59.931 1.184 1
1 909 . 13 1 1 A 75 75 THR CB C 75 71.585 71.648 -0.063 1
1 911 . 13 1 1 A 75 75 THR N N 75 111.431 111.982 -0.551 1
1 912 . 13 1 1 A 76 76 GLN H H 76 8.590 8.557 0.033 1
1 913 . 13 1 1 A 76 76 GLN HA H 76 5.238 4.903 0.335 1
1 920 . 13 1 1 A 76 76 GLN C C 76 173.605 175.007 -1.402 1
1 921 . 13 1 1 A 76 76 GLN CA C 76 54.556 54.855 -0.299 1
1 922 . 13 1 1 A 76 76 GLN CB C 76 31.657 30.850 0.807 1
1 924 . 13 1 1 A 76 76 GLN N N 76 117.495 122.810 -5.315 1
1 926 . 13 1 1 A 77 77 CYS H H 77 9.058 8.907 0.151 1
1 927 . 13 1 1 A 77 77 CYS HA H 77 4.780 5.011 -0.231 1
1 930 . 13 1 1 A 77 77 CYS C C 77 172.371 173.245 -0.874 1
1 931 . 13 1 1 A 77 77 CYS CA C 77 56.886 57.603 -0.717 1
1 932 . 13 1 1 A 77 77 CYS CB C 77 31.492 32.449 -0.957 1
1 933 . 13 1 1 A 77 77 CYS N N 77 114.572 118.239 -3.667 1
1 934 . 13 1 1 A 78 78 PHE H H 78 8.872 8.795 0.077 1
1 935 . 13 1 1 A 78 78 PHE HA H 78 5.419 5.163 0.256 1
1 943 . 13 1 1 A 78 78 PHE CA C 78 58.466 56.336 2.130 1
1 944 . 13 1 1 A 78 78 PHE CB C 78 42.360 39.584 2.776 1
1 950 . 13 1 1 A 78 78 PHE N N 78 120.396 121.065 -0.669 1
1 951 . 13 1 1 A 79 79 TRP H H 79 10.003 9.438 0.565 1
1 952 . 13 1 1 A 79 79 TRP HA H 79 4.907 5.284 -0.377 1
1 961 . 13 1 1 A 79 79 TRP CA C 79 57.535 56.622 0.913 1
1 962 . 13 1 1 A 79 79 TRP CB C 79 30.788 31.350 -0.562 1
1 968 . 13 1 1 A 79 79 TRP N N 79 120.993 124.511 -3.518 1
1 970 . 13 1 1 A 80 80 ILE H H 80 9.669 9.354 0.315 1
1 971 . 13 1 1 A 80 80 ILE HA H 80 3.773 4.251 -0.478 1
1 981 . 13 1 1 A 80 80 ILE C C 80 174.675 175.178 -0.503 1
1 982 . 13 1 1 A 80 80 ILE CA C 80 61.505 60.565 0.940 1
1 983 . 13 1 1 A 80 80 ILE CB C 80 40.765 37.965 2.800 1
1 987 . 13 1 1 A 80 80 ILE N N 80 122.205 125.017 -2.812 1
1 988 . 13 1 1 A 81 81 LEU H H 81 8.489 8.935 -0.446 1
1 989 . 13 1 1 A 81 81 LEU HA H 81 5.037 4.758 0.279 1
1 999 . 13 1 1 A 81 81 LEU C C 81 177.301 176.086 1.215 1
1 1000 . 13 1 1 A 81 81 LEU CA C 81 53.483 54.354 -0.871 1
1 1001 . 13 1 1 A 81 81 LEU CB C 81 40.344 40.734 -0.390 1
1 1005 . 13 1 1 A 81 81 LEU N N 81 127.849 129.078 -1.229 1
1 1006 . 13 1 1 A 82 82 ARG H H 82 8.980 8.689 0.291 1
1 1007 . 13 1 1 A 82 82 ARG HA H 82 5.127 4.466 0.661 1
1 1014 . 13 1 1 A 82 82 ARG C C 82 179.527 177.738 1.789 1
1 1015 . 13 1 1 A 82 82 ARG CA C 82 57.410 56.285 1.125 1
1 1016 . 13 1 1 A 82 82 ARG CB C 82 31.995 30.755 1.240 1
1 1019 . 13 1 1 A 82 82 ARG N N 82 121.829 124.923 -3.094 1
1 1020 . 13 1 1 A 83 83 THR H H 83 8.427 9.077 -0.650 1
1 1021 . 13 1 1 A 83 83 THR HA H 83 3.823 3.909 -0.086 1
1 1026 . 13 1 1 A 83 83 THR C C 83 174.540 176.361 -1.821 1
1 1027 . 13 1 1 A 83 83 THR CA C 83 64.441 65.553 -1.112 1
1 1028 . 13 1 1 A 83 83 THR CB C 83 67.987 68.270 -0.283 1
1 1030 . 13 1 1 A 83 83 THR N N 83 111.631 117.562 -5.931 1
1 1031 . 13 1 1 A 84 84 ASP H H 84 7.431 7.967 -0.536 1
1 1032 . 13 1 1 A 84 84 ASP HA H 84 4.706 4.452 0.254 1
1 1035 . 13 1 1 A 84 84 ASP C C 84 177.092 176.184 0.908 1
1 1036 . 13 1 1 A 84 84 ASP CA C 84 52.983 55.025 -2.042 1
1 1037 . 13 1 1 A 84 84 ASP CB C 84 40.502 40.971 -0.469 1
1 1038 . 13 1 1 A 84 84 ASP N N 84 117.630 120.962 -3.332 1
1 1039 . 13 1 1 A 85 85 GLY H H 85 7.924 7.987 -0.063 1
1 1040 . 13 1 1 A 85 85 GLY HA2 H 85 3.741 3.995 -0.254 1
1 1041 . 13 1 1 A 85 85 GLY HA3 H 85 4.364 3.997 0.367 1
1 1042 . 13 1 1 A 85 85 GLY C C 85 174.007 174.636 -0.629 1
1 1043 . 13 1 1 A 85 85 GLY CA C 85 45.370 45.147 0.223 1
1 1044 . 13 1 1 A 85 85 GLY N N 85 108.078 107.891 0.187 1
1 1045 . 13 1 1 A 86 86 SER H H 86 8.009 7.819 0.190 1
1 1046 . 13 1 1 A 86 86 SER HA H 86 4.563 4.354 0.209 1
1 1049 . 13 1 1 A 86 86 SER C C 86 172.835 174.030 -1.195 1
1 1050 . 13 1 1 A 86 86 SER CA C 86 58.731 59.766 -1.035 1
1 1051 . 13 1 1 A 86 86 SER CB C 86 64.803 63.360 1.443 1
1 1052 . 13 1 1 A 86 86 SER N N 86 117.029 117.679 -0.650 1
1 1053 . 13 1 1 A 87 87 GLU H H 87 8.593 8.561 0.032 1
1 1054 . 13 1 1 A 87 87 GLU HA H 87 5.921 4.797 1.124 1
1 1059 . 13 1 1 A 87 87 GLU C C 87 175.873 175.647 0.226 1
1 1060 . 13 1 1 A 87 87 GLU CA C 87 54.343 56.590 -2.247 1
1 1061 . 13 1 1 A 87 87 GLU CB C 87 33.925 30.180 3.745 1
1 1063 . 13 1 1 A 87 87 GLU N N 87 116.585 126.322 -9.737 1
1 1064 . 13 1 1 A 88 88 GLU HA H 88 4.496 5.057 -0.561 1
1 1069 . 13 1 1 A 88 88 GLU CA C 88 55.840 54.841 0.999 1
1 1070 . 13 1 1 A 88 88 GLU CB C 88 34.310 33.556 0.754 1
1 1072 . 13 1 1 A 89 89 ARG H H 89 8.013 8.419 -0.406 1
1 1073 . 13 1 1 A 89 89 ARG HA H 89 3.184 5.049 -1.865 1
1 1080 . 13 1 1 A 89 89 ARG CA C 89 56.576 55.115 1.461 1
1 1081 . 13 1 1 A 89 89 ARG CB C 89 30.462 31.355 -0.893 1
1 1084 . 13 1 1 A 89 89 ARG N N 89 127.945 124.418 3.527 1
1 1085 . 13 1 1 A 90 90 PHE HA H 90 5.021 5.466 -0.445 1
1 1093 . 13 1 1 A 90 90 PHE CA C 90 55.089 55.205 -0.116 1
1 1094 . 13 1 1 A 90 90 PHE CB C 90 40.446 42.579 -2.133 1
1 1100 . 13 1 1 A 91 91 SER HA H 91 4.639 4.089 0.550 1
1 1103 . 13 1 1 A 91 91 SER CA C 91 56.242 61.068 -4.826 1
1 1104 . 13 1 1 A 91 91 SER CB C 91 62.621 63.186 -0.565 1
1 1105 . 13 1 1 A 92 92 TYR HA H 92 4.268 4.813 -0.545 1
1 1112 . 13 1 1 A 92 92 TYR C C 92 176.450 176.261 0.189 1
1 1113 . 13 1 1 A 92 92 TYR CA C 92 59.575 59.908 -0.333 1
1 1114 . 13 1 1 A 92 92 TYR CB C 92 37.283 37.535 -0.252 1
1 1119 . 13 1 1 A 93 93 LYS H H 93 7.405 7.927 -0.522 1
1 1120 . 13 1 1 A 93 93 LYS HA H 93 3.749 3.946 -0.197 1
1 1129 . 13 1 1 A 93 93 LYS C C 93 177.715 177.198 0.517 1
1 1130 . 13 1 1 A 93 93 LYS CA C 93 58.446 58.581 -0.135 1
1 1131 . 13 1 1 A 93 93 LYS CB C 93 31.822 31.669 0.153 1
1 1135 . 13 1 1 A 93 93 LYS N N 93 120.689 117.879 2.810 1
1 1136 . 13 1 1 A 94 94 LYS H H 94 7.405 7.524 -0.119 1
1 1137 . 13 1 1 A 94 94 LYS HA H 94 4.079 4.359 -0.280 1
1 1146 . 13 1 1 A 94 94 LYS C C 94 176.709 174.782 1.927 1
1 1147 . 13 1 1 A 94 94 LYS CA C 94 56.479 55.527 0.952 1
1 1148 . 13 1 1 A 94 94 LYS CB C 94 32.760 30.550 2.210 1
1 1152 . 13 1 1 A 94 94 LYS N N 94 115.712 117.708 -1.996 1
1 1153 . 13 1 1 A 95 95 CYS H H 95 7.537 8.094 -0.557 1
1 1154 . 13 1 1 A 95 95 CYS HA H 95 3.937 4.977 -1.040 1
1 1157 . 13 1 1 A 95 95 CYS C C 95 173.487 173.256 0.231 1
1 1158 . 13 1 1 A 95 95 CYS CA C 95 61.795 57.638 4.157 1
1 1159 . 13 1 1 A 95 95 CYS CB C 95 27.546 30.668 -3.122 1
1 1160 . 13 1 1 A 95 95 CYS N N 95 115.586 119.730 -4.144 1
1 1161 . 13 1 1 A 96 96 VAL HA H 96 4.154 4.329 -0.175 1
1 1169 . 13 1 1 A 96 96 VAL C C 96 175.216 175.291 -0.075 1
1 1170 . 13 1 1 A 96 96 VAL CA C 96 61.916 63.485 -1.569 1
1 1171 . 13 1 1 A 96 96 VAL CB C 96 31.695 33.890 -2.195 1
1 1174 . 13 1 1 A 97 97 LEU H H 97 8.002 7.590 0.412 1
1 1175 . 13 1 1 A 97 97 LEU HA H 97 4.316 4.837 -0.521 1
1 1185 . 13 1 1 A 97 97 LEU C C 97 176.168 176.166 0.002 1
1 1186 . 13 1 1 A 97 97 LEU CA C 97 54.770 53.755 1.015 1
1 1187 . 13 1 1 A 97 97 LEU CB C 97 42.558 46.730 -4.172 1
1 1191 . 13 1 1 A 97 97 LEU N N 97 124.364 119.315 5.049 1
1 1192 . 13 1 1 A 98 98 GLU H H 98 8.345 8.500 -0.155 1
1 1193 . 13 1 1 A 98 98 GLU HA H 98 4.301 4.328 -0.027 1
1 1198 . 13 1 1 A 98 98 GLU C C 98 175.732 176.738 -1.006 1
1 1199 . 13 1 1 A 98 98 GLU CA C 98 55.988 58.011 -2.023 1
1 1200 . 13 1 1 A 98 98 GLU CB C 98 30.989 29.490 1.499 1
1 1 . 14 1 1 A 2 2 ALA HA H 2 4.102 4.279 -0.177 1
1 5 . 14 1 1 A 2 2 ALA CA C 2 51.775 52.048 -0.273 1
1 6 . 14 1 1 A 2 2 ALA CB C 2 19.665 20.642 -0.977 1
1 7 . 14 1 1 A 3 3 LYS HA H 3 4.329 4.324 0.005 1
1 15 . 14 1 1 A 3 3 LYS C C 3 176.086 177.020 -0.934 1
1 16 . 14 1 1 A 3 3 LYS CA C 3 56.354 57.426 -1.072 1
1 17 . 14 1 1 A 3 3 LYS CB C 3 33.325 32.395 0.930 1
1 21 . 14 1 1 A 4 4 ALA H H 4 8.515 7.481 1.034 1
1 22 . 14 1 1 A 4 4 ALA HA H 4 4.356 4.342 0.014 1
1 26 . 14 1 1 A 4 4 ALA C C 4 177.307 176.413 0.894 1
1 27 . 14 1 1 A 4 4 ALA CA C 4 52.316 51.704 0.612 1
1 28 . 14 1 1 A 4 4 ALA CB C 4 19.421 17.935 1.486 1
1 29 . 14 1 1 A 4 4 ALA N N 4 126.866 122.894 3.972 1
1 30 . 14 1 1 A 5 5 GLN H H 5 8.521 8.203 0.318 1
1 31 . 14 1 1 A 5 5 GLN HA H 5 4.652 4.646 0.006 1
1 38 . 14 1 1 A 5 5 GLN C C 5 173.576 174.094 -0.518 1
1 39 . 14 1 1 A 5 5 GLN CA C 5 53.470 52.971 0.499 1
1 40 . 14 1 1 A 5 5 GLN CB C 5 29.457 28.628 0.829 1
1 42 . 14 1 1 A 5 5 GLN N N 5 122.182 122.260 -0.078 1
1 44 . 14 1 1 A 6 6 PRO HA H 6 4.587 4.581 0.006 1
1 51 . 14 1 1 A 6 6 PRO C C 6 176.481 176.014 0.467 1
1 52 . 14 1 1 A 6 6 PRO CA C 6 63.028 62.484 0.544 1
1 53 . 14 1 1 A 6 6 PRO CB C 6 32.905 32.386 0.519 1
1 56 . 14 1 1 A 7 7 ILE H H 7 8.581 8.411 0.170 1
1 57 . 14 1 1 A 7 7 ILE HA H 7 4.245 4.336 -0.091 1
1 67 . 14 1 1 A 7 7 ILE C C 7 174.129 174.761 -0.632 1
1 68 . 14 1 1 A 7 7 ILE CA C 7 60.613 60.723 -0.110 1
1 69 . 14 1 1 A 7 7 ILE CB C 7 40.266 36.787 3.479 1
1 73 . 14 1 1 A 7 7 ILE N N 7 120.418 122.297 -1.879 1
1 74 . 14 1 1 A 8 8 GLU H H 8 8.572 8.455 0.117 1
1 75 . 14 1 1 A 8 8 GLU HA H 8 5.363 5.014 0.349 1
1 80 . 14 1 1 A 8 8 GLU C C 8 175.806 175.385 0.421 1
1 81 . 14 1 1 A 8 8 GLU CA C 8 54.749 55.628 -0.879 1
1 82 . 14 1 1 A 8 8 GLU CB C 8 31.505 31.204 0.301 1
1 84 . 14 1 1 A 8 8 GLU N N 8 128.440 128.384 0.056 1
1 85 . 14 1 1 A 9 9 ILE H H 9 8.591 8.929 -0.338 1
1 86 . 14 1 1 A 9 9 ILE HA H 9 4.111 4.387 -0.276 1
1 96 . 14 1 1 A 9 9 ILE C C 9 174.977 176.100 -1.123 1
1 97 . 14 1 1 A 9 9 ILE CA C 9 60.967 60.178 0.789 1
1 98 . 14 1 1 A 9 9 ILE CB C 9 41.559 40.028 1.531 1
1 102 . 14 1 1 A 9 9 ILE N N 9 123.957 127.560 -3.603 1
1 103 . 14 1 1 A 10 10 ALA H H 10 9.398 9.130 0.268 1
1 104 . 14 1 1 A 10 10 ALA HA H 10 4.072 4.044 0.028 1
1 108 . 14 1 1 A 10 10 ALA C C 10 177.026 177.166 -0.140 1
1 109 . 14 1 1 A 10 10 ALA CA C 10 52.646 53.351 -0.705 1
1 110 . 14 1 1 A 10 10 ALA CB C 10 18.121 17.954 0.167 1
1 111 . 14 1 1 A 10 10 ALA N N 10 130.074 131.885 -1.811 1
1 112 . 14 1 1 A 11 11 GLY H H 11 8.958 8.473 0.485 1
1 113 . 14 1 1 A 11 11 GLY HA2 H 11 4.046 3.633 0.413 1
1 114 . 14 1 1 A 11 11 GLY HA3 H 11 3.570 3.693 -0.123 1
1 115 . 14 1 1 A 11 11 GLY C C 11 174.139 173.561 0.578 1
1 116 . 14 1 1 A 11 11 GLY CA C 11 45.467 45.290 0.177 1
1 117 . 14 1 1 A 11 11 GLY N N 11 105.460 103.086 2.374 1
1 118 . 14 1 1 A 12 12 HIS H H 12 8.189 7.837 0.352 1
1 119 . 14 1 1 A 12 12 HIS HA H 12 4.325 4.397 -0.072 1
1 124 . 14 1 1 A 12 12 HIS C C 12 173.060 173.548 -0.488 1
1 125 . 14 1 1 A 12 12 HIS CA C 12 54.628 55.090 -0.462 1
1 126 . 14 1 1 A 12 12 HIS CB C 12 30.432 29.924 0.508 1
1 129 . 14 1 1 A 12 12 HIS N N 12 120.216 118.504 1.712 1
1 130 . 14 1 1 A 13 13 GLU H H 13 8.338 8.454 -0.116 1
1 131 . 14 1 1 A 13 13 GLU HA H 13 4.659 4.567 0.092 1
1 136 . 14 1 1 A 13 13 GLU C C 13 175.231 175.491 -0.260 1
1 137 . 14 1 1 A 13 13 GLU CA C 13 55.147 55.635 -0.488 1
1 138 . 14 1 1 A 13 13 GLU CB C 13 31.218 30.159 1.059 1
1 140 . 14 1 1 A 13 13 GLU N N 13 122.925 123.518 -0.593 1
1 141 . 14 1 1 A 14 14 PHE H H 14 9.117 9.378 -0.261 1
1 142 . 14 1 1 A 14 14 PHE HA H 14 4.941 4.971 -0.030 1
1 150 . 14 1 1 A 14 14 PHE C C 14 175.179 176.363 -1.184 1
1 151 . 14 1 1 A 14 14 PHE CA C 14 56.302 57.674 -1.372 1
1 152 . 14 1 1 A 14 14 PHE CB C 14 41.499 40.677 0.822 1
1 158 . 14 1 1 A 14 14 PHE N N 14 123.141 123.704 -0.563 1
1 159 . 14 1 1 A 15 15 ALA H H 15 9.393 8.562 0.831 1
1 160 . 14 1 1 A 15 15 ALA HA H 15 4.130 4.251 -0.121 1
1 164 . 14 1 1 A 15 15 ALA C C 15 177.675 177.455 0.220 1
1 165 . 14 1 1 A 15 15 ALA CA C 15 54.880 53.927 0.953 1
1 166 . 14 1 1 A 15 15 ALA CB C 15 18.986 19.383 -0.397 1
1 167 . 14 1 1 A 15 15 ALA N N 15 126.102 125.741 0.361 1
1 168 . 14 1 1 A 16 16 ARG H H 16 7.756 7.652 0.104 1
1 169 . 14 1 1 A 16 16 ARG HA H 16 4.809 4.594 0.215 1
1 176 . 14 1 1 A 16 16 ARG C C 16 177.344 175.983 1.361 1
1 177 . 14 1 1 A 16 16 ARG CA C 16 53.409 54.910 -1.501 1
1 178 . 14 1 1 A 16 16 ARG CB C 16 33.323 31.932 1.391 1
1 181 . 14 1 1 A 16 16 ARG N N 16 110.189 113.861 -3.672 1
1 182 . 14 1 1 A 17 17 LYS H H 17 9.303 8.868 0.435 1
1 183 . 14 1 1 A 17 17 LYS HA H 17 3.742 3.894 -0.152 1
1 192 . 14 1 1 A 17 17 LYS C C 17 178.667 177.877 0.790 1
1 193 . 14 1 1 A 17 17 LYS CA C 17 60.663 59.632 1.031 1
1 194 . 14 1 1 A 17 17 LYS CB C 17 32.005 32.057 -0.052 1
1 198 . 14 1 1 A 17 17 LYS N N 17 125.242 120.464 4.778 1
1 199 . 14 1 1 A 18 18 ALA H H 18 8.777 8.294 0.483 1
1 200 . 14 1 1 A 18 18 ALA HA H 18 4.046 4.057 -0.011 1
1 204 . 14 1 1 A 18 18 ALA C C 18 180.134 179.449 0.685 1
1 205 . 14 1 1 A 18 18 ALA CA C 18 55.181 54.669 0.512 1
1 206 . 14 1 1 A 18 18 ALA CB C 18 18.633 18.288 0.345 1
1 207 . 14 1 1 A 18 18 ALA N N 18 118.670 120.795 -2.125 1
1 208 . 14 1 1 A 19 19 ASP H H 19 7.454 8.061 -0.607 1
1 209 . 14 1 1 A 19 19 ASP HA H 19 4.586 4.383 0.203 1
1 212 . 14 1 1 A 19 19 ASP C C 19 178.469 178.060 0.409 1
1 213 . 14 1 1 A 19 19 ASP CA C 19 57.082 56.562 0.520 1
1 214 . 14 1 1 A 19 19 ASP CB C 19 41.304 41.287 0.017 1
1 215 . 14 1 1 A 19 19 ASP N N 19 117.020 119.131 -2.111 1
1 216 . 14 1 1 A 20 20 ALA H H 20 7.123 7.477 -0.354 1
1 217 . 14 1 1 A 20 20 ALA HA H 20 2.604 2.653 -0.049 1
1 221 . 14 1 1 A 20 20 ALA C C 20 178.706 179.726 -1.020 1
1 222 . 14 1 1 A 20 20 ALA CA C 20 54.453 54.389 0.064 1
1 223 . 14 1 1 A 20 20 ALA CB C 20 18.199 17.741 0.458 1
1 224 . 14 1 1 A 20 20 ALA N N 20 124.691 121.816 2.875 1
1 225 . 14 1 1 A 21 21 LEU H H 21 7.871 8.107 -0.236 1
1 226 . 14 1 1 A 21 21 LEU HA H 21 4.008 4.164 -0.156 1
1 236 . 14 1 1 A 21 21 LEU C C 21 179.041 179.004 0.037 1
1 237 . 14 1 1 A 21 21 LEU CA C 21 58.398 57.876 0.522 1
1 238 . 14 1 1 A 21 21 LEU CB C 21 41.382 41.461 -0.079 1
1 242 . 14 1 1 A 21 21 LEU N N 21 116.889 118.951 -2.062 1
1 243 . 14 1 1 A 22 22 ALA H H 22 7.972 8.425 -0.453 1
1 244 . 14 1 1 A 22 22 ALA HA H 22 4.158 4.088 0.070 1
1 248 . 14 1 1 A 22 22 ALA C C 22 179.288 179.402 -0.114 1
1 249 . 14 1 1 A 22 22 ALA CA C 22 55.180 54.869 0.311 1
1 250 . 14 1 1 A 22 22 ALA CB C 22 18.013 18.420 -0.407 1
1 251 . 14 1 1 A 22 22 ALA N N 22 121.219 121.278 -0.059 1
1 252 . 14 1 1 A 23 23 PHE H H 23 7.546 8.216 -0.670 1
1 253 . 14 1 1 A 23 23 PHE HA H 23 4.081 4.022 0.059 1
1 261 . 14 1 1 A 23 23 PHE C C 23 178.515 176.660 1.855 1
1 262 . 14 1 1 A 23 23 PHE CA C 23 61.520 61.495 0.025 1
1 263 . 14 1 1 A 23 23 PHE CB C 23 40.296 39.502 0.794 1
1 269 . 14 1 1 A 23 23 PHE N N 23 119.034 119.661 -0.627 1
1 270 . 14 1 1 A 24 24 MET H H 24 7.595 8.129 -0.534 1
1 271 . 14 1 1 A 24 24 MET HA H 24 3.768 3.876 -0.108 1
1 279 . 14 1 1 A 24 24 MET C C 24 176.037 178.226 -2.189 1
1 280 . 14 1 1 A 24 24 MET CA C 24 59.901 58.454 1.447 1
1 281 . 14 1 1 A 24 24 MET CB C 24 34.008 31.521 2.487 1
1 284 . 14 1 1 A 24 24 MET N N 24 118.377 116.720 1.657 1
1 285 . 14 1 1 A 25 25 LYS H H 25 8.131 7.886 0.245 1
1 286 . 14 1 1 A 25 25 LYS HA H 25 3.747 4.160 -0.413 1
1 295 . 14 1 1 A 25 25 LYS C C 25 178.865 178.416 0.449 1
1 296 . 14 1 1 A 25 25 LYS CA C 25 59.994 59.258 0.736 1
1 297 . 14 1 1 A 25 25 LYS CB C 25 32.365 32.358 0.007 1
1 301 . 14 1 1 A 25 25 LYS N N 25 121.901 120.771 1.130 1
1 302 . 14 1 1 A 26 26 VAL H H 26 7.986 8.021 -0.035 1
1 303 . 14 1 1 A 26 26 VAL HA H 26 3.515 3.500 0.015 1
1 311 . 14 1 1 A 26 26 VAL C C 26 178.654 177.931 0.723 1
1 312 . 14 1 1 A 26 26 VAL CA C 26 66.337 66.547 -0.210 1
1 313 . 14 1 1 A 26 26 VAL CB C 26 31.302 31.436 -0.134 1
1 316 . 14 1 1 A 26 26 VAL N N 26 119.393 120.176 -0.783 1
1 317 . 14 1 1 A 27 27 MET H H 27 7.232 8.024 -0.792 1
1 318 . 14 1 1 A 27 27 MET HA H 27 3.586 3.998 -0.412 1
1 326 . 14 1 1 A 27 27 MET C C 27 177.564 178.349 -0.785 1
1 327 . 14 1 1 A 27 27 MET CA C 27 59.113 58.417 0.696 1
1 328 . 14 1 1 A 27 27 MET CB C 27 34.025 32.223 1.802 1
1 331 . 14 1 1 A 27 27 MET N N 27 119.647 119.277 0.370 1
1 332 . 14 1 1 A 28 28 LEU H H 28 8.201 8.180 0.021 1
1 333 . 14 1 1 A 28 28 LEU HA H 28 3.733 3.936 -0.203 1
1 343 . 14 1 1 A 28 28 LEU C C 28 178.075 178.769 -0.694 1
1 344 . 14 1 1 A 28 28 LEU CA C 28 57.980 58.003 -0.023 1
1 345 . 14 1 1 A 28 28 LEU CB C 28 41.151 41.584 -0.433 1
1 349 . 14 1 1 A 28 28 LEU N N 28 118.420 123.554 -5.134 1
1 350 . 14 1 1 A 29 29 ASN H H 29 7.579 8.299 -0.720 1
1 351 . 14 1 1 A 29 29 ASN HA H 29 4.512 4.455 0.057 1
1 356 . 14 1 1 A 29 29 ASN C C 29 176.087 178.173 -2.086 1
1 357 . 14 1 1 A 29 29 ASN CA C 29 54.286 56.193 -1.907 1
1 358 . 14 1 1 A 29 29 ASN CB C 29 38.984 37.706 1.278 1
1 359 . 14 1 1 A 29 29 ASN N N 29 112.254 116.786 -4.532 1
1 361 . 14 1 1 A 30 30 ARG H H 30 7.621 7.401 0.220 1
1 362 . 14 1 1 A 30 30 ARG HA H 30 4.169 3.852 0.317 1
1 369 . 14 1 1 A 30 30 ARG C C 30 175.926 175.694 0.232 1
1 370 . 14 1 1 A 30 30 ARG CA C 30 57.482 58.304 -0.822 1
1 371 . 14 1 1 A 30 30 ARG CB C 30 30.404 29.873 0.531 1
1 374 . 14 1 1 A 30 30 ARG N N 30 118.878 118.492 0.386 1
1 375 . 14 1 1 A 31 31 TYR H H 31 7.287 7.415 -0.128 1
1 376 . 14 1 1 A 31 31 TYR HA H 31 4.690 4.951 -0.261 1
1 383 . 14 1 1 A 31 31 TYR C C 31 174.348 175.801 -1.453 1
1 384 . 14 1 1 A 31 31 TYR CA C 31 58.118 57.561 0.557 1
1 385 . 14 1 1 A 31 31 TYR CB C 31 43.045 40.533 2.512 1
1 390 . 14 1 1 A 31 31 TYR N N 31 118.414 117.056 1.358 1
1 391 . 14 1 1 A 32 32 ARG H H 32 9.314 8.852 0.462 1
1 392 . 14 1 1 A 32 32 ARG HA H 32 4.913 4.660 0.253 1
1 399 . 14 1 1 A 32 32 ARG C C 32 173.525 174.825 -1.300 1
1 400 . 14 1 1 A 32 32 ARG CA C 32 52.775 54.386 -1.611 1
1 401 . 14 1 1 A 32 32 ARG CB C 32 30.292 29.511 0.781 1
1 404 . 14 1 1 A 32 32 ARG N N 32 121.876 123.298 -1.422 1
1 405 . 14 1 1 A 33 33 PRO HA H 33 3.870 4.821 -0.951 1
1 412 . 14 1 1 A 33 33 PRO C C 33 177.517 177.237 0.280 1
1 413 . 14 1 1 A 33 33 PRO CA C 33 64.332 62.587 1.745 1
1 414 . 14 1 1 A 33 33 PRO CB C 33 31.655 29.549 2.106 1
1 417 . 14 1 1 A 34 34 GLY H H 34 9.584 8.653 0.931 1
1 418 . 14 1 1 A 34 34 GLY HA2 H 34 4.422 3.994 0.428 1
1 419 . 14 1 1 A 34 34 GLY HA3 H 34 3.725 4.024 -0.299 1
1 420 . 14 1 1 A 34 34 GLY C C 34 174.605 174.356 0.249 1
1 421 . 14 1 1 A 34 34 GLY CA C 34 44.745 45.321 -0.576 1
1 422 . 14 1 1 A 34 34 GLY N N 34 115.669 112.527 3.142 1
1 423 . 14 1 1 A 35 35 ASP H H 35 8.252 7.945 0.307 1
1 424 . 14 1 1 A 35 35 ASP HA H 35 4.691 4.768 -0.077 1
1 427 . 14 1 1 A 35 35 ASP C C 35 175.279 175.684 -0.405 1
1 428 . 14 1 1 A 35 35 ASP CA C 35 55.195 54.527 0.668 1
1 429 . 14 1 1 A 35 35 ASP CB C 35 42.301 42.035 0.266 1
1 430 . 14 1 1 A 35 35 ASP N N 35 122.076 121.299 0.777 1
1 431 . 14 1 1 A 36 36 ILE H H 36 8.194 8.537 -0.343 1
1 432 . 14 1 1 A 36 36 ILE HA H 36 4.546 4.348 0.198 1
1 442 . 14 1 1 A 36 36 ILE C C 36 176.709 176.192 0.517 1
1 443 . 14 1 1 A 36 36 ILE CA C 36 59.572 60.233 -0.661 1
1 444 . 14 1 1 A 36 36 ILE CB C 36 37.870 38.419 -0.549 1
1 448 . 14 1 1 A 36 36 ILE N N 36 120.260 122.840 -2.580 1
1 449 . 14 1 1 A 37 37 VAL H H 37 7.963 8.704 -0.741 1
1 450 . 14 1 1 A 37 37 VAL HA H 37 3.671 3.399 0.272 1
1 458 . 14 1 1 A 37 37 VAL C C 37 176.530 176.827 -0.297 1
1 459 . 14 1 1 A 37 37 VAL CA C 37 62.969 62.917 0.052 1
1 460 . 14 1 1 A 37 37 VAL CB C 37 32.201 32.106 0.095 1
1 463 . 14 1 1 A 37 37 VAL N N 37 126.533 127.362 -0.829 1
1 464 . 14 1 1 A 38 38 SER H H 38 8.852 8.641 0.211 1
1 465 . 14 1 1 A 38 38 SER HA H 38 4.600 4.880 -0.280 1
1 468 . 14 1 1 A 38 38 SER C C 38 174.950 176.145 -1.195 1
1 469 . 14 1 1 A 38 38 SER CA C 38 58.147 57.236 0.911 1
1 470 . 14 1 1 A 38 38 SER CB C 38 65.224 65.554 -0.330 1
1 471 . 14 1 1 A 38 38 SER N N 38 122.752 120.660 2.092 1
1 472 . 14 1 1 A 39 39 THR H H 39 8.870 8.768 0.102 1
1 473 . 14 1 1 A 39 39 THR HA H 39 4.153 4.011 0.142 1
1 478 . 14 1 1 A 39 39 THR C C 39 177.855 176.632 1.223 1
1 479 . 14 1 1 A 39 39 THR CA C 39 66.299 66.603 -0.304 1
1 480 . 14 1 1 A 39 39 THR CB C 39 68.559 68.550 0.009 1
1 482 . 14 1 1 A 39 39 THR N N 39 116.391 115.807 0.584 1
1 483 . 14 1 1 A 40 40 VAL H H 40 8.018 7.946 0.072 1
1 484 . 14 1 1 A 40 40 VAL HA H 40 4.028 3.655 0.373 1
1 492 . 14 1 1 A 40 40 VAL C C 40 178.339 177.689 0.650 1
1 493 . 14 1 1 A 40 40 VAL CA C 40 65.776 66.537 -0.761 1
1 494 . 14 1 1 A 40 40 VAL CB C 40 32.139 31.712 0.427 1
1 497 . 14 1 1 A 40 40 VAL N N 40 121.035 121.621 -0.586 1
1 498 . 14 1 1 A 41 41 ASP H H 41 7.610 7.721 -0.111 1
1 499 . 14 1 1 A 41 41 ASP HA H 41 4.570 4.317 0.253 1
1 502 . 14 1 1 A 41 41 ASP C C 41 178.746 178.981 -0.235 1
1 503 . 14 1 1 A 41 41 ASP CA C 41 57.492 57.225 0.267 1
1 504 . 14 1 1 A 41 41 ASP CB C 41 39.740 40.223 -0.483 1
1 505 . 14 1 1 A 41 41 ASP N N 41 124.108 118.479 5.629 1
1 506 . 14 1 1 A 42 42 GLY H H 42 9.363 8.540 0.823 1
1 507 . 14 1 1 A 42 42 GLY HA2 H 42 4.186 3.799 0.387 1
1 508 . 14 1 1 A 42 42 GLY HA3 H 42 3.584 3.927 -0.343 1
1 509 . 14 1 1 A 42 42 GLY C C 42 175.329 176.355 -1.026 1
1 510 . 14 1 1 A 42 42 GLY CA C 42 46.944 47.226 -0.282 1
1 511 . 14 1 1 A 42 42 GLY N N 42 109.572 108.966 0.606 1
1 512 . 14 1 1 A 43 43 ALA H H 43 7.949 7.747 0.202 1
1 513 . 14 1 1 A 43 43 ALA HA H 43 4.240 4.074 0.166 1
1 517 . 14 1 1 A 43 43 ALA C C 43 180.375 179.376 0.999 1
1 518 . 14 1 1 A 43 43 ALA CA C 43 54.897 54.800 0.097 1
1 519 . 14 1 1 A 43 43 ALA CB C 43 17.895 18.610 -0.715 1
1 520 . 14 1 1 A 43 43 ALA N N 43 123.561 124.631 -1.070 1
1 521 . 14 1 1 A 44 44 PHE H H 44 7.337 8.071 -0.734 1
1 522 . 14 1 1 A 44 44 PHE HA H 44 3.957 4.121 -0.164 1
1 530 . 14 1 1 A 44 44 PHE C C 44 177.252 176.983 0.269 1
1 531 . 14 1 1 A 44 44 PHE CA C 44 61.508 61.438 0.070 1
1 532 . 14 1 1 A 44 44 PHE CB C 44 38.993 39.263 -0.270 1
1 538 . 14 1 1 A 44 44 PHE N N 44 118.542 120.242 -1.700 1
1 539 . 14 1 1 A 45 45 LEU H H 45 8.301 8.299 0.002 1
1 540 . 14 1 1 A 45 45 LEU HA H 45 3.741 3.653 0.088 1
1 550 . 14 1 1 A 45 45 LEU C C 45 178.847 178.753 0.094 1
1 551 . 14 1 1 A 45 45 LEU CA C 45 57.643 57.772 -0.129 1
1 552 . 14 1 1 A 45 45 LEU CB C 45 41.274 41.139 0.135 1
1 556 . 14 1 1 A 45 45 LEU N N 45 119.345 119.846 -0.501 1
1 557 . 14 1 1 A 46 46 VAL H H 46 8.562 7.978 0.584 1
1 558 . 14 1 1 A 46 46 VAL HA H 46 3.759 3.613 0.146 1
1 566 . 14 1 1 A 46 46 VAL C C 46 177.077 177.360 -0.283 1
1 567 . 14 1 1 A 46 46 VAL CA C 46 67.081 67.021 0.060 1
1 568 . 14 1 1 A 46 46 VAL CB C 46 31.639 31.095 0.544 1
1 571 . 14 1 1 A 46 46 VAL N N 46 118.458 119.011 -0.553 1
1 572 . 14 1 1 A 47 47 GLU H H 47 6.896 8.158 -1.262 1
1 573 . 14 1 1 A 47 47 GLU HA H 47 4.019 3.963 0.056 1
1 578 . 14 1 1 A 47 47 GLU C C 47 179.738 178.663 1.075 1
1 579 . 14 1 1 A 47 47 GLU CA C 47 58.582 59.156 -0.574 1
1 580 . 14 1 1 A 47 47 GLU CB C 47 29.029 29.782 -0.753 1
1 582 . 14 1 1 A 47 47 GLU N N 47 117.916 120.244 -2.328 1
1 583 . 14 1 1 A 48 48 ALA H H 48 8.310 7.951 0.359 1
1 584 . 14 1 1 A 48 48 ALA HA H 48 3.761 3.975 -0.214 1
1 588 . 14 1 1 A 48 48 ALA C C 48 179.636 179.755 -0.119 1
1 589 . 14 1 1 A 48 48 ALA CA C 48 55.769 55.063 0.706 1
1 590 . 14 1 1 A 48 48 ALA CB C 48 17.370 17.956 -0.586 1
1 591 . 14 1 1 A 48 48 ALA N N 48 123.600 122.351 1.249 1
1 592 . 14 1 1 A 49 49 LEU H H 49 8.724 7.987 0.737 1
1 593 . 14 1 1 A 49 49 LEU HA H 49 3.924 4.026 -0.102 1
1 603 . 14 1 1 A 49 49 LEU C C 49 178.188 178.895 -0.707 1
1 604 . 14 1 1 A 49 49 LEU CA C 49 57.387 57.933 -0.546 1
1 605 . 14 1 1 A 49 49 LEU CB C 49 41.780 41.741 0.039 1
1 609 . 14 1 1 A 49 49 LEU N N 49 119.812 119.877 -0.065 1
1 610 . 14 1 1 A 50 50 LYS H H 50 7.421 8.325 -0.904 1
1 611 . 14 1 1 A 50 50 LYS HA H 50 3.856 3.883 -0.027 1
1 620 . 14 1 1 A 50 50 LYS C C 50 177.592 178.757 -1.165 1
1 621 . 14 1 1 A 50 50 LYS CA C 50 59.345 60.010 -0.665 1
1 622 . 14 1 1 A 50 50 LYS CB C 50 32.757 32.438 0.319 1
1 626 . 14 1 1 A 50 50 LYS N N 50 115.568 118.467 -2.899 1
1 627 . 14 1 1 A 51 51 ARG H H 51 7.787 8.100 -0.313 1
1 628 . 14 1 1 A 51 51 ARG HA H 51 4.356 4.113 0.243 1
1 635 . 14 1 1 A 51 51 ARG C C 51 176.424 175.012 1.412 1
1 636 . 14 1 1 A 51 51 ARG CA C 51 55.690 57.178 -1.488 1
1 637 . 14 1 1 A 51 51 ARG CB C 51 30.227 29.246 0.981 1
1 640 . 14 1 1 A 51 51 ARG N N 51 115.686 115.979 -0.293 1
1 641 . 14 1 1 A 52 52 HIS H H 52 8.159 7.352 0.807 1
1 642 . 14 1 1 A 52 52 HIS HA H 52 4.512 4.855 -0.343 1
1 646 . 14 1 1 A 52 52 HIS C C 52 175.409 174.938 0.471 1
1 647 . 14 1 1 A 52 52 HIS CA C 52 56.087 53.852 2.235 1
1 648 . 14 1 1 A 52 52 HIS CB C 52 32.904 31.177 1.727 1
1 650 . 14 1 1 A 52 52 HIS N N 52 125.025 118.470 6.555 1
1 651 . 14 1 1 A 53 53 PRO HA H 53 4.341 4.281 0.060 1
1 658 . 14 1 1 A 53 53 PRO CA C 53 65.210 65.228 -0.018 1
1 659 . 14 1 1 A 53 53 PRO CB C 53 31.791 31.506 0.285 1
1 662 . 14 1 1 A 54 54 ASP H H 54 8.058 8.625 -0.567 1
1 663 . 14 1 1 A 54 54 ASP HA H 54 5.184 4.560 0.624 1
1 666 . 14 1 1 A 54 54 ASP C C 54 176.079 177.547 -1.468 1
1 667 . 14 1 1 A 54 54 ASP CA C 54 52.778 55.236 -2.458 1
1 668 . 14 1 1 A 54 54 ASP CB C 54 41.573 40.705 0.868 1
1 669 . 14 1 1 A 55 55 ALA H H 55 7.731 8.056 -0.325 1
1 670 . 14 1 1 A 55 55 ALA HA H 55 3.589 4.049 -0.460 1
1 674 . 14 1 1 A 55 55 ALA C C 55 178.550 179.693 -1.143 1
1 675 . 14 1 1 A 55 55 ALA CA C 55 57.024 55.276 1.748 1
1 676 . 14 1 1 A 55 55 ALA CB C 55 20.320 18.440 1.880 1
1 677 . 14 1 1 A 55 55 ALA N N 55 122.261 121.991 0.270 1
1 678 . 14 1 1 A 56 56 THR H H 56 8.405 8.130 0.275 1
1 679 . 14 1 1 A 56 56 THR HA H 56 3.804 3.899 -0.095 1
1 684 . 14 1 1 A 56 56 THR C C 56 177.743 176.774 0.969 1
1 685 . 14 1 1 A 56 56 THR CA C 56 67.024 65.363 1.661 1
1 686 . 14 1 1 A 56 56 THR CB C 56 68.257 68.863 -0.606 1
1 688 . 14 1 1 A 56 56 THR N N 56 110.600 113.897 -3.297 1
1 689 . 14 1 1 A 57 57 SER H H 57 7.907 7.990 -0.083 1
1 690 . 14 1 1 A 57 57 SER HA H 57 4.251 4.300 -0.049 1
1 693 . 14 1 1 A 57 57 SER C C 57 176.547 175.592 0.955 1
1 694 . 14 1 1 A 57 57 SER CA C 57 60.395 60.828 -0.433 1
1 695 . 14 1 1 A 57 57 SER CB C 57 62.766 62.887 -0.121 1
1 696 . 14 1 1 A 57 57 SER N N 57 117.623 116.524 1.099 1
1 697 . 14 1 1 A 58 58 LYS H H 58 8.180 7.926 0.254 1
1 698 . 14 1 1 A 58 58 LYS HA H 58 3.687 4.558 -0.871 1
1 707 . 14 1 1 A 58 58 LYS C C 58 178.074 176.768 1.306 1
1 708 . 14 1 1 A 58 58 LYS CA C 58 58.090 55.004 3.086 1
1 709 . 14 1 1 A 58 58 LYS CB C 58 32.328 32.440 -0.112 1
1 713 . 14 1 1 A 58 58 LYS N N 58 120.772 117.667 3.105 1
1 714 . 14 1 1 A 59 59 ILE H H 59 8.407 7.803 0.604 1
1 715 . 14 1 1 A 59 59 ILE HA H 59 3.336 4.191 -0.855 1
1 725 . 14 1 1 A 59 59 ILE C C 59 176.705 176.988 -0.283 1
1 726 . 14 1 1 A 59 59 ILE CA C 59 64.224 62.652 1.572 1
1 727 . 14 1 1 A 59 59 ILE CB C 59 38.989 38.855 0.134 1
1 731 . 14 1 1 A 59 59 ILE N N 59 119.024 117.701 1.323 1
1 732 . 14 1 1 A 60 60 GLY H H 60 7.360 7.994 -0.634 1
1 733 . 14 1 1 A 60 60 GLY HA2 H 60 3.884 3.849 0.035 1
1 734 . 14 1 1 A 60 60 GLY HA3 H 60 3.614 3.851 -0.237 1
1 735 . 14 1 1 A 60 60 GLY C C 60 173.964 174.775 -0.811 1
1 736 . 14 1 1 A 60 60 GLY CA C 60 44.586 46.822 -2.236 1
1 737 . 14 1 1 A 60 60 GLY N N 60 106.081 110.205 -4.124 1
1 738 . 14 1 1 A 61 61 PRO HA H 61 4.486 4.429 0.057 1
1 745 . 14 1 1 A 61 61 PRO C C 61 175.603 176.537 -0.934 1
1 746 . 14 1 1 A 61 61 PRO CA C 61 63.473 64.098 -0.625 1
1 747 . 14 1 1 A 61 61 PRO CB C 61 31.981 32.125 -0.144 1
1 750 . 14 1 1 A 62 62 GLY H H 62 7.835 7.035 0.800 1
1 751 . 14 1 1 A 62 62 GLY HA2 H 62 4.378 4.037 0.341 1
1 752 . 14 1 1 A 62 62 GLY HA3 H 62 3.416 4.039 -0.623 1
1 753 . 14 1 1 A 62 62 GLY C C 62 172.596 171.760 0.836 1
1 754 . 14 1 1 A 62 62 GLY CA C 62 44.498 45.004 -0.506 1
1 755 . 14 1 1 A 62 62 GLY N N 62 110.214 106.443 3.771 1
1 756 . 14 1 1 A 63 63 VAL H H 63 8.646 8.567 0.079 1
1 757 . 14 1 1 A 63 63 VAL HA H 63 3.668 4.089 -0.421 1
1 765 . 14 1 1 A 63 63 VAL C C 63 175.808 175.883 -0.075 1
1 766 . 14 1 1 A 63 63 VAL CA C 63 63.681 62.696 0.985 1
1 767 . 14 1 1 A 63 63 VAL CB C 63 32.863 31.706 1.157 1
1 770 . 14 1 1 A 63 63 VAL N N 63 122.735 120.875 1.860 1
1 771 . 14 1 1 A 64 64 ARG H H 64 9.524 8.735 0.789 1
1 772 . 14 1 1 A 64 64 ARG HA H 64 4.254 4.304 -0.050 1
1 779 . 14 1 1 A 64 64 ARG C C 64 175.574 175.898 -0.324 1
1 780 . 14 1 1 A 64 64 ARG CA C 64 57.310 57.243 0.067 1
1 781 . 14 1 1 A 64 64 ARG CB C 64 31.928 31.574 0.354 1
1 784 . 14 1 1 A 64 64 ARG N N 64 129.782 129.469 0.313 1
1 785 . 14 1 1 A 65 65 ASN H H 65 8.089 7.066 1.023 1
1 786 . 14 1 1 A 65 65 ASN HA H 65 4.662 4.920 -0.258 1
1 791 . 14 1 1 A 65 65 ASN C C 65 171.753 172.244 -0.491 1
1 792 . 14 1 1 A 65 65 ASN CA C 65 53.279 52.193 1.086 1
1 793 . 14 1 1 A 65 65 ASN CB C 65 43.717 39.873 3.844 1
1 794 . 14 1 1 A 65 65 ASN N N 65 114.163 112.717 1.446 1
1 796 . 14 1 1 A 66 66 PHE H H 66 9.064 8.724 0.340 1
1 797 . 14 1 1 A 66 66 PHE HA H 66 5.738 5.387 0.351 1
1 805 . 14 1 1 A 66 66 PHE C C 66 174.834 174.204 0.630 1
1 806 . 14 1 1 A 66 66 PHE CA C 66 56.578 56.210 0.368 1
1 807 . 14 1 1 A 66 66 PHE CB C 66 41.888 43.497 -1.609 1
1 813 . 14 1 1 A 66 66 PHE N N 66 114.774 116.055 -1.281 1
1 814 . 14 1 1 A 67 67 GLU H H 67 9.328 8.954 0.374 1
1 815 . 14 1 1 A 67 67 GLU HA H 67 5.307 5.054 0.253 1
1 820 . 14 1 1 A 67 67 GLU C C 67 174.999 175.290 -0.291 1
1 821 . 14 1 1 A 67 67 GLU CA C 67 54.003 54.535 -0.532 1
1 822 . 14 1 1 A 67 67 GLU CB C 67 35.678 33.383 2.295 1
1 824 . 14 1 1 A 67 67 GLU N N 67 122.005 123.176 -1.171 1
1 825 . 14 1 1 A 68 68 VAL H H 68 8.598 8.496 0.102 1
1 826 . 14 1 1 A 68 68 VAL HA H 68 4.859 4.805 0.054 1
1 834 . 14 1 1 A 68 68 VAL C C 68 175.361 174.962 0.399 1
1 835 . 14 1 1 A 68 68 VAL CA C 68 62.102 61.794 0.308 1
1 836 . 14 1 1 A 68 68 VAL CB C 68 32.865 32.260 0.605 1
1 839 . 14 1 1 A 68 68 VAL N N 68 124.692 125.864 -1.172 1
1 840 . 14 1 1 A 69 69 ARG H H 69 8.896 8.939 -0.043 1
1 841 . 14 1 1 A 69 69 ARG HA H 69 4.888 4.950 -0.062 1
1 848 . 14 1 1 A 69 69 ARG C C 69 175.469 174.850 0.619 1
1 849 . 14 1 1 A 69 69 ARG CA C 69 54.384 53.954 0.430 1
1 850 . 14 1 1 A 69 69 ARG CB C 69 34.979 33.541 1.438 1
1 853 . 14 1 1 A 69 69 ARG N N 69 123.599 128.737 -5.138 1
1 854 . 14 1 1 A 70 70 SER H H 70 8.758 8.507 0.251 1
1 855 . 14 1 1 A 70 70 SER HA H 70 4.511 4.480 0.031 1
1 858 . 14 1 1 A 70 70 SER C C 70 173.488 174.754 -1.266 1
1 859 . 14 1 1 A 70 70 SER CA C 70 59.858 59.641 0.217 1
1 860 . 14 1 1 A 70 70 SER CB C 70 63.927 64.053 -0.126 1
1 861 . 14 1 1 A 70 70 SER N N 70 116.239 119.724 -3.485 1
1 862 . 14 1 1 A 71 71 ALA H H 71 8.456 8.347 0.109 1
1 863 . 14 1 1 A 71 71 ALA HA H 71 4.688 4.886 -0.198 1
1 867 . 14 1 1 A 71 71 ALA C C 71 176.054 176.873 -0.819 1
1 868 . 14 1 1 A 71 71 ALA CA C 71 51.016 50.045 0.971 1
1 869 . 14 1 1 A 71 71 ALA CB C 71 20.324 22.969 -2.645 1
1 870 . 14 1 1 A 71 71 ALA N N 71 128.999 125.343 3.656 1
1 871 . 14 1 1 A 72 72 ASP H H 72 7.968 8.707 -0.739 1
1 872 . 14 1 1 A 72 72 ASP HA H 72 4.361 4.543 -0.182 1
1 875 . 14 1 1 A 72 72 ASP C C 72 176.444 176.184 0.260 1
1 876 . 14 1 1 A 72 72 ASP CA C 72 54.732 55.931 -1.199 1
1 877 . 14 1 1 A 72 72 ASP CB C 72 41.060 40.243 0.817 1
1 878 . 14 1 1 A 72 72 ASP N N 72 118.176 119.385 -1.209 1
1 879 . 14 1 1 A 73 73 TYR H H 73 8.768 7.697 1.071 1
1 880 . 14 1 1 A 73 73 TYR HA H 73 4.309 4.603 -0.294 1
1 887 . 14 1 1 A 73 73 TYR C C 73 176.601 175.729 0.872 1
1 888 . 14 1 1 A 73 73 TYR CA C 73 58.799 57.913 0.886 1
1 889 . 14 1 1 A 73 73 TYR CB C 73 36.239 38.674 -2.435 1
1 894 . 14 1 1 A 73 73 TYR N N 73 117.846 116.450 1.396 1
1 895 . 14 1 1 A 74 74 GLY H H 74 8.533 8.101 0.432 1
1 896 . 14 1 1 A 74 74 GLY HA2 H 74 4.069 3.977 0.092 1
1 897 . 14 1 1 A 74 74 GLY HA3 H 74 3.844 3.992 -0.148 1
1 898 . 14 1 1 A 74 74 GLY C C 74 175.060 174.229 0.831 1
1 899 . 14 1 1 A 74 74 GLY CA C 74 46.117 45.342 0.775 1
1 900 . 14 1 1 A 74 74 GLY N N 74 108.255 108.775 -0.520 1
1 901 . 14 1 1 A 75 75 THR H H 75 7.534 7.862 -0.328 1
1 902 . 14 1 1 A 75 75 THR HA H 75 4.687 4.467 0.220 1
1 907 . 14 1 1 A 75 75 THR C C 75 173.779 173.879 -0.100 1
1 908 . 14 1 1 A 75 75 THR CA C 75 61.115 61.887 -0.772 1
1 909 . 14 1 1 A 75 75 THR CB C 75 71.585 70.609 0.976 1
1 911 . 14 1 1 A 75 75 THR N N 75 111.431 113.418 -1.987 1
1 912 . 14 1 1 A 76 76 GLN H H 76 8.590 8.389 0.201 1
1 913 . 14 1 1 A 76 76 GLN HA H 76 5.238 4.919 0.319 1
1 920 . 14 1 1 A 76 76 GLN C C 76 173.605 174.600 -0.995 1
1 921 . 14 1 1 A 76 76 GLN CA C 76 54.556 54.468 0.088 1
1 922 . 14 1 1 A 76 76 GLN CB C 76 31.657 31.581 0.076 1
1 924 . 14 1 1 A 76 76 GLN N N 76 117.495 119.092 -1.597 1
1 926 . 14 1 1 A 77 77 CYS H H 77 9.058 9.233 -0.175 1
1 927 . 14 1 1 A 77 77 CYS HA H 77 4.780 4.959 -0.179 1
1 930 . 14 1 1 A 77 77 CYS C C 77 172.371 173.268 -0.897 1
1 931 . 14 1 1 A 77 77 CYS CA C 77 56.886 57.680 -0.794 1
1 932 . 14 1 1 A 77 77 CYS CB C 77 31.492 32.367 -0.875 1
1 933 . 14 1 1 A 77 77 CYS N N 77 114.572 118.439 -3.867 1
1 934 . 14 1 1 A 78 78 PHE H H 78 8.872 8.920 -0.048 1
1 935 . 14 1 1 A 78 78 PHE HA H 78 5.419 5.133 0.286 1
1 943 . 14 1 1 A 78 78 PHE CA C 78 58.466 56.485 1.981 1
1 944 . 14 1 1 A 78 78 PHE CB C 78 42.360 39.284 3.076 1
1 950 . 14 1 1 A 78 78 PHE N N 78 120.396 121.405 -1.009 1
1 951 . 14 1 1 A 79 79 TRP H H 79 10.003 9.630 0.373 1
1 952 . 14 1 1 A 79 79 TRP HA H 79 4.907 5.249 -0.342 1
1 961 . 14 1 1 A 79 79 TRP CA C 79 57.535 56.410 1.125 1
1 962 . 14 1 1 A 79 79 TRP CB C 79 30.788 30.902 -0.114 1
1 968 . 14 1 1 A 79 79 TRP N N 79 120.993 124.520 -3.527 1
1 970 . 14 1 1 A 80 80 ILE H H 80 9.669 9.302 0.367 1
1 971 . 14 1 1 A 80 80 ILE HA H 80 3.773 4.407 -0.634 1
1 981 . 14 1 1 A 80 80 ILE C C 80 174.675 175.397 -0.722 1
1 982 . 14 1 1 A 80 80 ILE CA C 80 61.505 61.371 0.134 1
1 983 . 14 1 1 A 80 80 ILE CB C 80 40.765 36.814 3.951 1
1 987 . 14 1 1 A 80 80 ILE N N 80 122.205 124.571 -2.366 1
1 988 . 14 1 1 A 81 81 LEU H H 81 8.489 8.101 0.388 1
1 989 . 14 1 1 A 81 81 LEU HA H 81 5.037 4.584 0.453 1
1 999 . 14 1 1 A 81 81 LEU C C 81 177.301 176.091 1.210 1
1 1000 . 14 1 1 A 81 81 LEU CA C 81 53.483 54.424 -0.941 1
1 1001 . 14 1 1 A 81 81 LEU CB C 81 40.344 41.146 -0.802 1
1 1005 . 14 1 1 A 81 81 LEU N N 81 127.849 129.233 -1.384 1
1 1006 . 14 1 1 A 82 82 ARG H H 82 8.980 8.745 0.235 1
1 1007 . 14 1 1 A 82 82 ARG HA H 82 5.127 4.517 0.610 1
1 1014 . 14 1 1 A 82 82 ARG C C 82 179.527 177.329 2.198 1
1 1015 . 14 1 1 A 82 82 ARG CA C 82 57.410 54.871 2.539 1
1 1016 . 14 1 1 A 82 82 ARG CB C 82 31.995 32.223 -0.228 1
1 1019 . 14 1 1 A 82 82 ARG N N 82 121.829 125.625 -3.796 1
1 1020 . 14 1 1 A 83 83 THR H H 83 8.427 8.813 -0.386 1
1 1021 . 14 1 1 A 83 83 THR HA H 83 3.823 4.005 -0.182 1
1 1026 . 14 1 1 A 83 83 THR C C 83 174.540 176.204 -1.664 1
1 1027 . 14 1 1 A 83 83 THR CA C 83 64.441 65.246 -0.805 1
1 1028 . 14 1 1 A 83 83 THR CB C 83 67.987 68.240 -0.253 1
1 1030 . 14 1 1 A 83 83 THR N N 83 111.631 117.513 -5.882 1
1 1031 . 14 1 1 A 84 84 ASP H H 84 7.431 7.927 -0.496 1
1 1032 . 14 1 1 A 84 84 ASP HA H 84 4.706 4.392 0.314 1
1 1035 . 14 1 1 A 84 84 ASP C C 84 177.092 176.176 0.916 1
1 1036 . 14 1 1 A 84 84 ASP CA C 84 52.983 56.126 -3.143 1
1 1037 . 14 1 1 A 84 84 ASP CB C 84 40.502 40.877 -0.375 1
1 1038 . 14 1 1 A 84 84 ASP N N 84 117.630 121.656 -4.026 1
1 1039 . 14 1 1 A 85 85 GLY H H 85 7.924 7.635 0.289 1
1 1040 . 14 1 1 A 85 85 GLY HA2 H 85 3.741 4.015 -0.274 1
1 1041 . 14 1 1 A 85 85 GLY HA3 H 85 4.364 4.018 0.346 1
1 1042 . 14 1 1 A 85 85 GLY C C 85 174.007 174.538 -0.531 1
1 1043 . 14 1 1 A 85 85 GLY CA C 85 45.370 45.383 -0.013 1
1 1044 . 14 1 1 A 85 85 GLY N N 85 108.078 107.895 0.183 1
1 1045 . 14 1 1 A 86 86 SER H H 86 8.009 7.558 0.451 1
1 1046 . 14 1 1 A 86 86 SER HA H 86 4.563 4.606 -0.043 1
1 1049 . 14 1 1 A 86 86 SER C C 86 172.835 173.839 -1.004 1
1 1050 . 14 1 1 A 86 86 SER CA C 86 58.731 58.429 0.302 1
1 1051 . 14 1 1 A 86 86 SER CB C 86 64.803 64.995 -0.192 1
1 1052 . 14 1 1 A 86 86 SER N N 86 117.029 115.484 1.545 1
1 1053 . 14 1 1 A 87 87 GLU H H 87 8.593 9.270 -0.677 1
1 1054 . 14 1 1 A 87 87 GLU HA H 87 5.921 5.429 0.492 1
1 1059 . 14 1 1 A 87 87 GLU C C 87 175.873 174.877 0.996 1
1 1060 . 14 1 1 A 87 87 GLU CA C 87 54.343 54.628 -0.285 1
1 1061 . 14 1 1 A 87 87 GLU CB C 87 33.925 33.375 0.550 1
1 1063 . 14 1 1 A 87 87 GLU N N 87 116.585 118.063 -1.478 1
1 1064 . 14 1 1 A 88 88 GLU HA H 88 4.496 4.953 -0.457 1
1 1069 . 14 1 1 A 88 88 GLU CA C 88 55.840 55.029 0.811 1
1 1070 . 14 1 1 A 88 88 GLU CB C 88 34.310 32.599 1.711 1
1 1072 . 14 1 1 A 89 89 ARG H H 89 8.013 8.853 -0.840 1
1 1073 . 14 1 1 A 89 89 ARG HA H 89 3.184 4.832 -1.648 1
1 1080 . 14 1 1 A 89 89 ARG CA C 89 56.576 54.151 2.425 1
1 1081 . 14 1 1 A 89 89 ARG CB C 89 30.462 32.964 -2.502 1
1 1084 . 14 1 1 A 89 89 ARG N N 89 127.945 118.099 9.846 1
1 1085 . 14 1 1 A 90 90 PHE HA H 90 5.021 5.639 -0.618 1
1 1093 . 14 1 1 A 90 90 PHE CA C 90 55.089 55.356 -0.267 1
1 1094 . 14 1 1 A 90 90 PHE CB C 90 40.446 42.583 -2.137 1
1 1100 . 14 1 1 A 91 91 SER HA H 91 4.639 4.873 -0.234 1
1 1103 . 14 1 1 A 91 91 SER CA C 91 56.242 56.794 -0.552 1
1 1104 . 14 1 1 A 91 91 SER CB C 91 62.621 63.666 -1.045 1
1 1105 . 14 1 1 A 92 92 TYR HA H 92 4.268 4.278 -0.010 1
1 1112 . 14 1 1 A 92 92 TYR C C 92 176.450 176.772 -0.322 1
1 1113 . 14 1 1 A 92 92 TYR CA C 92 59.575 60.605 -1.030 1
1 1114 . 14 1 1 A 92 92 TYR CB C 92 37.283 37.710 -0.427 1
1 1119 . 14 1 1 A 93 93 LYS H H 93 7.405 7.777 -0.372 1
1 1120 . 14 1 1 A 93 93 LYS HA H 93 3.749 3.890 -0.141 1
1 1129 . 14 1 1 A 93 93 LYS C C 93 177.715 177.794 -0.079 1
1 1130 . 14 1 1 A 93 93 LYS CA C 93 58.446 58.364 0.082 1
1 1131 . 14 1 1 A 93 93 LYS CB C 93 31.822 31.295 0.527 1
1 1135 . 14 1 1 A 93 93 LYS N N 93 120.689 118.871 1.818 1
1 1136 . 14 1 1 A 94 94 LYS H H 94 7.405 7.920 -0.515 1
1 1137 . 14 1 1 A 94 94 LYS HA H 94 4.079 4.069 0.010 1
1 1146 . 14 1 1 A 94 94 LYS C C 94 176.709 177.656 -0.947 1
1 1147 . 14 1 1 A 94 94 LYS CA C 94 56.479 58.377 -1.898 1
1 1148 . 14 1 1 A 94 94 LYS CB C 94 32.760 32.219 0.541 1
1 1152 . 14 1 1 A 94 94 LYS N N 94 115.712 117.032 -1.320 1
1 1153 . 14 1 1 A 95 95 CYS H H 95 7.537 7.334 0.203 1
1 1154 . 14 1 1 A 95 95 CYS HA H 95 3.937 4.608 -0.671 1
1 1157 . 14 1 1 A 95 95 CYS C C 95 173.487 174.325 -0.838 1
1 1158 . 14 1 1 A 95 95 CYS CA C 95 61.795 58.526 3.269 1
1 1159 . 14 1 1 A 95 95 CYS CB C 95 27.546 25.850 1.696 1
1 1160 . 14 1 1 A 95 95 CYS N N 95 115.586 117.613 -2.027 1
1 1161 . 14 1 1 A 96 96 VAL HA H 96 4.154 4.315 -0.161 1
1 1169 . 14 1 1 A 96 96 VAL C C 96 175.216 176.308 -1.092 1
1 1170 . 14 1 1 A 96 96 VAL CA C 96 61.916 63.533 -1.617 1
1 1171 . 14 1 1 A 96 96 VAL CB C 96 31.695 33.219 -1.524 1
1 1174 . 14 1 1 A 97 97 LEU H H 97 8.002 7.626 0.376 1
1 1175 . 14 1 1 A 97 97 LEU HA H 97 4.316 4.620 -0.304 1
1 1185 . 14 1 1 A 97 97 LEU C C 97 176.168 175.778 0.390 1
1 1186 . 14 1 1 A 97 97 LEU CA C 97 54.770 56.425 -1.655 1
1 1187 . 14 1 1 A 97 97 LEU CB C 97 42.558 44.112 -1.554 1
1 1191 . 14 1 1 A 97 97 LEU N N 97 124.364 118.262 6.102 1
1 1192 . 14 1 1 A 98 98 GLU H H 98 8.345 7.907 0.438 1
1 1193 . 14 1 1 A 98 98 GLU HA H 98 4.301 4.479 -0.178 1
1 1198 . 14 1 1 A 98 98 GLU C C 98 175.732 176.673 -0.941 1
1 1199 . 14 1 1 A 98 98 GLU CA C 98 55.988 55.709 0.279 1
1 1200 . 14 1 1 A 98 98 GLU CB C 98 30.989 30.342 0.647 1
1 1 . 15 1 1 A 2 2 ALA HA H 2 4.102 4.615 -0.513 1
1 5 . 15 1 1 A 2 2 ALA CA C 2 51.775 51.536 0.239 1
1 6 . 15 1 1 A 2 2 ALA CB C 2 19.665 19.815 -0.150 1
1 7 . 15 1 1 A 3 3 LYS HA H 3 4.329 4.424 -0.095 1
1 15 . 15 1 1 A 3 3 LYS C C 3 176.086 175.767 0.319 1
1 16 . 15 1 1 A 3 3 LYS CA C 3 56.354 56.572 -0.218 1
1 17 . 15 1 1 A 3 3 LYS CB C 3 33.325 32.771 0.554 1
1 21 . 15 1 1 A 4 4 ALA H H 4 8.515 7.908 0.607 1
1 22 . 15 1 1 A 4 4 ALA HA H 4 4.356 4.512 -0.156 1
1 26 . 15 1 1 A 4 4 ALA C C 4 177.307 175.801 1.506 1
1 27 . 15 1 1 A 4 4 ALA CA C 4 52.316 50.649 1.667 1
1 28 . 15 1 1 A 4 4 ALA CB C 4 19.421 18.894 0.527 1
1 29 . 15 1 1 A 4 4 ALA N N 4 126.866 123.980 2.886 1
1 30 . 15 1 1 A 5 5 GLN H H 5 8.521 8.363 0.158 1
1 31 . 15 1 1 A 5 5 GLN HA H 5 4.652 4.643 0.009 1
1 38 . 15 1 1 A 5 5 GLN C C 5 173.576 173.816 -0.240 1
1 39 . 15 1 1 A 5 5 GLN CA C 5 53.470 53.793 -0.323 1
1 40 . 15 1 1 A 5 5 GLN CB C 5 29.457 27.794 1.663 1
1 42 . 15 1 1 A 5 5 GLN N N 5 122.182 121.239 0.943 1
1 44 . 15 1 1 A 6 6 PRO HA H 6 4.587 4.600 -0.013 1
1 51 . 15 1 1 A 6 6 PRO C C 6 176.481 175.471 1.010 1
1 52 . 15 1 1 A 6 6 PRO CA C 6 63.028 62.340 0.688 1
1 53 . 15 1 1 A 6 6 PRO CB C 6 32.905 33.039 -0.134 1
1 56 . 15 1 1 A 7 7 ILE H H 7 8.581 8.580 0.001 1
1 57 . 15 1 1 A 7 7 ILE HA H 7 4.245 4.379 -0.134 1
1 67 . 15 1 1 A 7 7 ILE C C 7 174.129 174.474 -0.345 1
1 68 . 15 1 1 A 7 7 ILE CA C 7 60.613 60.571 0.042 1
1 69 . 15 1 1 A 7 7 ILE CB C 7 40.266 37.461 2.805 1
1 73 . 15 1 1 A 7 7 ILE N N 7 120.418 121.679 -1.261 1
1 74 . 15 1 1 A 8 8 GLU H H 8 8.572 9.068 -0.496 1
1 75 . 15 1 1 A 8 8 GLU HA H 8 5.363 5.308 0.055 1
1 80 . 15 1 1 A 8 8 GLU C C 8 175.806 175.262 0.544 1
1 81 . 15 1 1 A 8 8 GLU CA C 8 54.749 54.840 -0.091 1
1 82 . 15 1 1 A 8 8 GLU CB C 8 31.505 31.499 0.006 1
1 84 . 15 1 1 A 8 8 GLU N N 8 128.440 128.882 -0.442 1
1 85 . 15 1 1 A 9 9 ILE H H 9 8.591 8.875 -0.284 1
1 86 . 15 1 1 A 9 9 ILE HA H 9 4.111 4.437 -0.326 1
1 96 . 15 1 1 A 9 9 ILE C C 9 174.977 176.089 -1.112 1
1 97 . 15 1 1 A 9 9 ILE CA C 9 60.967 60.117 0.850 1
1 98 . 15 1 1 A 9 9 ILE CB C 9 41.559 39.653 1.906 1
1 102 . 15 1 1 A 9 9 ILE N N 9 123.957 127.737 -3.780 1
1 103 . 15 1 1 A 10 10 ALA H H 10 9.398 9.144 0.254 1
1 104 . 15 1 1 A 10 10 ALA HA H 10 4.072 4.057 0.015 1
1 108 . 15 1 1 A 10 10 ALA C C 10 177.026 176.934 0.092 1
1 109 . 15 1 1 A 10 10 ALA CA C 10 52.646 53.382 -0.736 1
1 110 . 15 1 1 A 10 10 ALA CB C 10 18.121 18.005 0.116 1
1 111 . 15 1 1 A 10 10 ALA N N 10 130.074 131.915 -1.841 1
1 112 . 15 1 1 A 11 11 GLY H H 11 8.958 8.383 0.575 1
1 113 . 15 1 1 A 11 11 GLY HA2 H 11 4.046 3.695 0.351 1
1 114 . 15 1 1 A 11 11 GLY HA3 H 11 3.570 3.731 -0.161 1
1 115 . 15 1 1 A 11 11 GLY C C 11 174.139 173.514 0.625 1
1 116 . 15 1 1 A 11 11 GLY CA C 11 45.467 45.054 0.413 1
1 117 . 15 1 1 A 11 11 GLY N N 11 105.460 103.191 2.269 1
1 118 . 15 1 1 A 12 12 HIS H H 12 8.189 7.893 0.296 1
1 119 . 15 1 1 A 12 12 HIS HA H 12 4.325 4.450 -0.125 1
1 124 . 15 1 1 A 12 12 HIS C C 12 173.060 173.768 -0.708 1
1 125 . 15 1 1 A 12 12 HIS CA C 12 54.628 54.999 -0.371 1
1 126 . 15 1 1 A 12 12 HIS CB C 12 30.432 30.846 -0.414 1
1 129 . 15 1 1 A 12 12 HIS N N 12 120.216 118.501 1.715 1
1 130 . 15 1 1 A 13 13 GLU H H 13 8.338 8.495 -0.157 1
1 131 . 15 1 1 A 13 13 GLU HA H 13 4.659 4.612 0.047 1
1 136 . 15 1 1 A 13 13 GLU C C 13 175.231 175.555 -0.324 1
1 137 . 15 1 1 A 13 13 GLU CA C 13 55.147 55.386 -0.239 1
1 138 . 15 1 1 A 13 13 GLU CB C 13 31.218 30.672 0.546 1
1 140 . 15 1 1 A 13 13 GLU N N 13 122.925 123.717 -0.792 1
1 141 . 15 1 1 A 14 14 PHE H H 14 9.117 9.087 0.030 1
1 142 . 15 1 1 A 14 14 PHE HA H 14 4.941 4.933 0.008 1
1 150 . 15 1 1 A 14 14 PHE C C 14 175.179 175.922 -0.743 1
1 151 . 15 1 1 A 14 14 PHE CA C 14 56.302 56.359 -0.057 1
1 152 . 15 1 1 A 14 14 PHE CB C 14 41.499 41.594 -0.095 1
1 158 . 15 1 1 A 14 14 PHE N N 14 123.141 120.092 3.049 1
1 159 . 15 1 1 A 15 15 ALA H H 15 9.393 8.783 0.610 1
1 160 . 15 1 1 A 15 15 ALA HA H 15 4.130 4.284 -0.154 1
1 164 . 15 1 1 A 15 15 ALA C C 15 177.675 177.583 0.092 1
1 165 . 15 1 1 A 15 15 ALA CA C 15 54.880 54.396 0.484 1
1 166 . 15 1 1 A 15 15 ALA CB C 15 18.986 19.563 -0.577 1
1 167 . 15 1 1 A 15 15 ALA N N 15 126.102 125.862 0.240 1
1 168 . 15 1 1 A 16 16 ARG H H 16 7.756 7.339 0.417 1
1 169 . 15 1 1 A 16 16 ARG HA H 16 4.809 4.696 0.113 1
1 176 . 15 1 1 A 16 16 ARG C C 16 177.344 176.519 0.825 1
1 177 . 15 1 1 A 16 16 ARG CA C 16 53.409 54.126 -0.717 1
1 178 . 15 1 1 A 16 16 ARG CB C 16 33.323 32.739 0.584 1
1 181 . 15 1 1 A 16 16 ARG N N 16 110.189 114.449 -4.260 1
1 182 . 15 1 1 A 17 17 LYS H H 17 9.303 8.889 0.414 1
1 183 . 15 1 1 A 17 17 LYS HA H 17 3.742 3.943 -0.201 1
1 192 . 15 1 1 A 17 17 LYS C C 17 178.667 178.284 0.383 1
1 193 . 15 1 1 A 17 17 LYS CA C 17 60.663 59.339 1.324 1
1 194 . 15 1 1 A 17 17 LYS CB C 17 32.005 32.307 -0.302 1
1 198 . 15 1 1 A 17 17 LYS N N 17 125.242 120.358 4.884 1
1 199 . 15 1 1 A 18 18 ALA H H 18 8.777 8.224 0.553 1
1 200 . 15 1 1 A 18 18 ALA HA H 18 4.046 4.045 0.001 1
1 204 . 15 1 1 A 18 18 ALA C C 18 180.134 179.587 0.547 1
1 205 . 15 1 1 A 18 18 ALA CA C 18 55.181 54.871 0.310 1
1 206 . 15 1 1 A 18 18 ALA CB C 18 18.633 18.285 0.348 1
1 207 . 15 1 1 A 18 18 ALA N N 18 118.670 121.255 -2.585 1
1 208 . 15 1 1 A 19 19 ASP H H 19 7.454 8.261 -0.807 1
1 209 . 15 1 1 A 19 19 ASP HA H 19 4.586 4.392 0.194 1
1 212 . 15 1 1 A 19 19 ASP C C 19 178.469 178.260 0.209 1
1 213 . 15 1 1 A 19 19 ASP CA C 19 57.082 56.978 0.104 1
1 214 . 15 1 1 A 19 19 ASP CB C 19 41.304 40.640 0.664 1
1 215 . 15 1 1 A 19 19 ASP N N 19 117.020 118.783 -1.763 1
1 216 . 15 1 1 A 20 20 ALA H H 20 7.123 7.711 -0.588 1
1 217 . 15 1 1 A 20 20 ALA HA H 20 2.604 3.140 -0.536 1
1 221 . 15 1 1 A 20 20 ALA C C 20 178.706 180.013 -1.307 1
1 222 . 15 1 1 A 20 20 ALA CA C 20 54.453 54.575 -0.122 1
1 223 . 15 1 1 A 20 20 ALA CB C 20 18.199 17.857 0.342 1
1 224 . 15 1 1 A 20 20 ALA N N 20 124.691 121.612 3.079 1
1 225 . 15 1 1 A 21 21 LEU H H 21 7.871 7.790 0.081 1
1 226 . 15 1 1 A 21 21 LEU HA H 21 4.008 4.116 -0.108 1
1 236 . 15 1 1 A 21 21 LEU C C 21 179.041 178.947 0.094 1
1 237 . 15 1 1 A 21 21 LEU CA C 21 58.398 57.978 0.420 1
1 238 . 15 1 1 A 21 21 LEU CB C 21 41.382 41.640 -0.258 1
1 242 . 15 1 1 A 21 21 LEU N N 21 116.889 118.831 -1.942 1
1 243 . 15 1 1 A 22 22 ALA H H 22 7.972 8.316 -0.344 1
1 244 . 15 1 1 A 22 22 ALA HA H 22 4.158 4.091 0.067 1
1 248 . 15 1 1 A 22 22 ALA C C 22 179.288 179.135 0.153 1
1 249 . 15 1 1 A 22 22 ALA CA C 22 55.180 55.059 0.121 1
1 250 . 15 1 1 A 22 22 ALA CB C 22 18.013 18.597 -0.584 1
1 251 . 15 1 1 A 22 22 ALA N N 22 121.219 121.041 0.178 1
1 252 . 15 1 1 A 23 23 PHE H H 23 7.546 8.463 -0.917 1
1 253 . 15 1 1 A 23 23 PHE HA H 23 4.081 3.951 0.130 1
1 261 . 15 1 1 A 23 23 PHE C C 23 178.515 176.958 1.557 1
1 262 . 15 1 1 A 23 23 PHE CA C 23 61.520 61.552 -0.032 1
1 263 . 15 1 1 A 23 23 PHE CB C 23 40.296 39.219 1.077 1
1 269 . 15 1 1 A 23 23 PHE N N 23 119.034 119.468 -0.434 1
1 270 . 15 1 1 A 24 24 MET H H 24 7.595 8.239 -0.644 1
1 271 . 15 1 1 A 24 24 MET HA H 24 3.768 4.021 -0.253 1
1 279 . 15 1 1 A 24 24 MET C C 24 176.037 178.462 -2.425 1
1 280 . 15 1 1 A 24 24 MET CA C 24 59.901 58.944 0.957 1
1 281 . 15 1 1 A 24 24 MET CB C 24 34.008 33.026 0.982 1
1 284 . 15 1 1 A 24 24 MET N N 24 118.377 117.071 1.306 1
1 285 . 15 1 1 A 25 25 LYS H H 25 8.131 8.086 0.045 1
1 286 . 15 1 1 A 25 25 LYS HA H 25 3.747 3.942 -0.195 1
1 295 . 15 1 1 A 25 25 LYS C C 25 178.865 178.801 0.064 1
1 296 . 15 1 1 A 25 25 LYS CA C 25 59.994 59.021 0.973 1
1 297 . 15 1 1 A 25 25 LYS CB C 25 32.365 32.400 -0.035 1
1 301 . 15 1 1 A 25 25 LYS N N 25 121.901 120.335 1.566 1
1 302 . 15 1 1 A 26 26 VAL H H 26 7.986 8.173 -0.187 1
1 303 . 15 1 1 A 26 26 VAL HA H 26 3.515 3.503 0.012 1
1 311 . 15 1 1 A 26 26 VAL C C 26 178.654 177.785 0.869 1
1 312 . 15 1 1 A 26 26 VAL CA C 26 66.337 66.722 -0.385 1
1 313 . 15 1 1 A 26 26 VAL CB C 26 31.302 31.430 -0.128 1
1 316 . 15 1 1 A 26 26 VAL N N 26 119.393 119.746 -0.353 1
1 317 . 15 1 1 A 27 27 MET H H 27 7.232 7.917 -0.685 1
1 318 . 15 1 1 A 27 27 MET HA H 27 3.586 4.087 -0.501 1
1 326 . 15 1 1 A 27 27 MET C C 27 177.564 178.532 -0.968 1
1 327 . 15 1 1 A 27 27 MET CA C 27 59.113 58.334 0.779 1
1 328 . 15 1 1 A 27 27 MET CB C 27 34.025 32.431 1.594 1
1 331 . 15 1 1 A 27 27 MET N N 27 119.647 119.150 0.497 1
1 332 . 15 1 1 A 28 28 LEU H H 28 8.201 8.102 0.099 1
1 333 . 15 1 1 A 28 28 LEU HA H 28 3.733 3.904 -0.171 1
1 343 . 15 1 1 A 28 28 LEU C C 28 178.075 178.583 -0.508 1
1 344 . 15 1 1 A 28 28 LEU CA C 28 57.980 58.137 -0.157 1
1 345 . 15 1 1 A 28 28 LEU CB C 28 41.151 41.047 0.104 1
1 349 . 15 1 1 A 28 28 LEU N N 28 118.420 123.268 -4.848 1
1 350 . 15 1 1 A 29 29 ASN H H 29 7.579 8.015 -0.436 1
1 351 . 15 1 1 A 29 29 ASN HA H 29 4.512 4.854 -0.342 1
1 356 . 15 1 1 A 29 29 ASN C C 29 176.087 177.373 -1.286 1
1 357 . 15 1 1 A 29 29 ASN CA C 29 54.286 55.124 -0.838 1
1 358 . 15 1 1 A 29 29 ASN CB C 29 38.984 38.231 0.753 1
1 359 . 15 1 1 A 29 29 ASN N N 29 112.254 117.186 -4.932 1
1 361 . 15 1 1 A 30 30 ARG H H 30 7.621 7.945 -0.324 1
1 362 . 15 1 1 A 30 30 ARG HA H 30 4.169 4.014 0.155 1
1 369 . 15 1 1 A 30 30 ARG C C 30 175.926 176.410 -0.484 1
1 370 . 15 1 1 A 30 30 ARG CA C 30 57.482 57.976 -0.494 1
1 371 . 15 1 1 A 30 30 ARG CB C 30 30.404 30.934 -0.530 1
1 374 . 15 1 1 A 30 30 ARG N N 30 118.878 119.377 -0.499 1
1 375 . 15 1 1 A 31 31 TYR H H 31 7.287 7.715 -0.428 1
1 376 . 15 1 1 A 31 31 TYR HA H 31 4.690 4.628 0.062 1
1 383 . 15 1 1 A 31 31 TYR C C 31 174.348 175.983 -1.635 1
1 384 . 15 1 1 A 31 31 TYR CA C 31 58.118 58.632 -0.514 1
1 385 . 15 1 1 A 31 31 TYR CB C 31 43.045 39.480 3.565 1
1 390 . 15 1 1 A 31 31 TYR N N 31 118.414 117.280 1.134 1
1 391 . 15 1 1 A 32 32 ARG H H 32 9.314 8.487 0.827 1
1 392 . 15 1 1 A 32 32 ARG HA H 32 4.913 4.766 0.147 1
1 399 . 15 1 1 A 32 32 ARG C C 32 173.525 174.584 -1.059 1
1 400 . 15 1 1 A 32 32 ARG CA C 32 52.775 53.749 -0.974 1
1 401 . 15 1 1 A 32 32 ARG CB C 32 30.292 30.132 0.160 1
1 404 . 15 1 1 A 32 32 ARG N N 32 121.876 122.659 -0.783 1
1 405 . 15 1 1 A 33 33 PRO HA H 33 3.870 4.812 -0.942 1
1 412 . 15 1 1 A 33 33 PRO C C 33 177.517 177.229 0.288 1
1 413 . 15 1 1 A 33 33 PRO CA C 33 64.332 62.970 1.362 1
1 414 . 15 1 1 A 33 33 PRO CB C 33 31.655 30.020 1.635 1
1 417 . 15 1 1 A 34 34 GLY H H 34 9.584 8.677 0.907 1
1 418 . 15 1 1 A 34 34 GLY HA2 H 34 4.422 4.012 0.410 1
1 419 . 15 1 1 A 34 34 GLY HA3 H 34 3.725 4.037 -0.312 1
1 420 . 15 1 1 A 34 34 GLY C C 34 174.605 174.444 0.161 1
1 421 . 15 1 1 A 34 34 GLY CA C 34 44.745 45.329 -0.584 1
1 422 . 15 1 1 A 34 34 GLY N N 34 115.669 112.640 3.029 1
1 423 . 15 1 1 A 35 35 ASP H H 35 8.252 8.125 0.127 1
1 424 . 15 1 1 A 35 35 ASP HA H 35 4.691 4.779 -0.088 1
1 427 . 15 1 1 A 35 35 ASP C C 35 175.279 175.472 -0.193 1
1 428 . 15 1 1 A 35 35 ASP CA C 35 55.195 54.789 0.406 1
1 429 . 15 1 1 A 35 35 ASP CB C 35 42.301 42.058 0.243 1
1 430 . 15 1 1 A 35 35 ASP N N 35 122.076 121.424 0.652 1
1 431 . 15 1 1 A 36 36 ILE H H 36 8.194 8.632 -0.438 1
1 432 . 15 1 1 A 36 36 ILE HA H 36 4.546 4.439 0.107 1
1 442 . 15 1 1 A 36 36 ILE C C 36 176.709 176.228 0.481 1
1 443 . 15 1 1 A 36 36 ILE CA C 36 59.572 60.105 -0.533 1
1 444 . 15 1 1 A 36 36 ILE CB C 36 37.870 38.470 -0.600 1
1 448 . 15 1 1 A 36 36 ILE N N 36 120.260 123.301 -3.041 1
1 449 . 15 1 1 A 37 37 VAL H H 37 7.963 8.827 -0.864 1
1 450 . 15 1 1 A 37 37 VAL HA H 37 3.671 3.295 0.376 1
1 458 . 15 1 1 A 37 37 VAL C C 37 176.530 175.913 0.617 1
1 459 . 15 1 1 A 37 37 VAL CA C 37 62.969 62.887 0.082 1
1 460 . 15 1 1 A 37 37 VAL CB C 37 32.201 31.910 0.291 1
1 463 . 15 1 1 A 37 37 VAL N N 37 126.533 128.019 -1.486 1
1 464 . 15 1 1 A 38 38 SER H H 38 8.852 8.548 0.304 1
1 465 . 15 1 1 A 38 38 SER HA H 38 4.600 4.647 -0.047 1
1 468 . 15 1 1 A 38 38 SER C C 38 174.950 175.439 -0.489 1
1 469 . 15 1 1 A 38 38 SER CA C 38 58.147 58.523 -0.376 1
1 470 . 15 1 1 A 38 38 SER CB C 38 65.224 64.069 1.155 1
1 471 . 15 1 1 A 38 38 SER N N 38 122.752 121.359 1.393 1
1 472 . 15 1 1 A 39 39 THR H H 39 8.870 8.835 0.035 1
1 473 . 15 1 1 A 39 39 THR HA H 39 4.153 4.065 0.088 1
1 478 . 15 1 1 A 39 39 THR C C 39 177.855 176.177 1.678 1
1 479 . 15 1 1 A 39 39 THR CA C 39 66.299 66.738 -0.439 1
1 480 . 15 1 1 A 39 39 THR CB C 39 68.559 68.814 -0.255 1
1 482 . 15 1 1 A 39 39 THR N N 39 116.391 120.602 -4.211 1
1 483 . 15 1 1 A 40 40 VAL H H 40 8.018 8.190 -0.172 1
1 484 . 15 1 1 A 40 40 VAL HA H 40 4.028 3.652 0.376 1
1 492 . 15 1 1 A 40 40 VAL C C 40 178.339 177.642 0.697 1
1 493 . 15 1 1 A 40 40 VAL CA C 40 65.776 66.833 -1.057 1
1 494 . 15 1 1 A 40 40 VAL CB C 40 32.139 31.391 0.748 1
1 497 . 15 1 1 A 40 40 VAL N N 40 121.035 121.787 -0.752 1
1 498 . 15 1 1 A 41 41 ASP H H 41 7.610 8.803 -1.193 1
1 499 . 15 1 1 A 41 41 ASP HA H 41 4.570 4.405 0.165 1
1 502 . 15 1 1 A 41 41 ASP C C 41 178.746 179.980 -1.234 1
1 503 . 15 1 1 A 41 41 ASP CA C 41 57.492 57.231 0.261 1
1 504 . 15 1 1 A 41 41 ASP CB C 41 39.740 40.152 -0.412 1
1 505 . 15 1 1 A 41 41 ASP N N 41 124.108 119.828 4.280 1
1 506 . 15 1 1 A 42 42 GLY H H 42 9.363 8.698 0.665 1
1 507 . 15 1 1 A 42 42 GLY HA2 H 42 4.186 3.650 0.536 1
1 508 . 15 1 1 A 42 42 GLY HA3 H 42 3.584 3.980 -0.396 1
1 509 . 15 1 1 A 42 42 GLY C C 42 175.329 176.468 -1.139 1
1 510 . 15 1 1 A 42 42 GLY CA C 42 46.944 47.144 -0.200 1
1 511 . 15 1 1 A 42 42 GLY N N 42 109.572 109.358 0.214 1
1 512 . 15 1 1 A 43 43 ALA H H 43 7.949 8.327 -0.378 1
1 513 . 15 1 1 A 43 43 ALA HA H 43 4.240 4.091 0.149 1
1 517 . 15 1 1 A 43 43 ALA C C 43 180.375 179.671 0.704 1
1 518 . 15 1 1 A 43 43 ALA CA C 43 54.897 54.801 0.096 1
1 519 . 15 1 1 A 43 43 ALA CB C 43 17.895 18.340 -0.445 1
1 520 . 15 1 1 A 43 43 ALA N N 43 123.561 124.695 -1.134 1
1 521 . 15 1 1 A 44 44 PHE H H 44 7.337 8.069 -0.732 1
1 522 . 15 1 1 A 44 44 PHE HA H 44 3.957 4.232 -0.275 1
1 530 . 15 1 1 A 44 44 PHE C C 44 177.252 176.742 0.510 1
1 531 . 15 1 1 A 44 44 PHE CA C 44 61.508 61.475 0.033 1
1 532 . 15 1 1 A 44 44 PHE CB C 44 38.993 39.338 -0.345 1
1 538 . 15 1 1 A 44 44 PHE N N 44 118.542 120.115 -1.573 1
1 539 . 15 1 1 A 45 45 LEU H H 45 8.301 7.994 0.307 1
1 540 . 15 1 1 A 45 45 LEU HA H 45 3.741 3.698 0.043 1
1 550 . 15 1 1 A 45 45 LEU C C 45 178.847 179.002 -0.155 1
1 551 . 15 1 1 A 45 45 LEU CA C 45 57.643 57.764 -0.121 1
1 552 . 15 1 1 A 45 45 LEU CB C 45 41.274 41.018 0.256 1
1 556 . 15 1 1 A 45 45 LEU N N 45 119.345 119.858 -0.513 1
1 557 . 15 1 1 A 46 46 VAL H H 46 8.562 8.328 0.234 1
1 558 . 15 1 1 A 46 46 VAL HA H 46 3.759 3.584 0.175 1
1 566 . 15 1 1 A 46 46 VAL C C 46 177.077 177.166 -0.089 1
1 567 . 15 1 1 A 46 46 VAL CA C 46 67.081 66.865 0.216 1
1 568 . 15 1 1 A 46 46 VAL CB C 46 31.639 31.544 0.095 1
1 571 . 15 1 1 A 46 46 VAL N N 46 118.458 119.209 -0.751 1
1 572 . 15 1 1 A 47 47 GLU H H 47 6.896 8.319 -1.423 1
1 573 . 15 1 1 A 47 47 GLU HA H 47 4.019 3.961 0.058 1
1 578 . 15 1 1 A 47 47 GLU C C 47 179.738 178.921 0.817 1
1 579 . 15 1 1 A 47 47 GLU CA C 47 58.582 59.321 -0.739 1
1 580 . 15 1 1 A 47 47 GLU CB C 47 29.029 29.349 -0.320 1
1 582 . 15 1 1 A 47 47 GLU N N 47 117.916 119.255 -1.339 1
1 583 . 15 1 1 A 48 48 ALA H H 48 8.310 7.975 0.335 1
1 584 . 15 1 1 A 48 48 ALA HA H 48 3.761 4.055 -0.294 1
1 588 . 15 1 1 A 48 48 ALA C C 48 179.636 179.849 -0.213 1
1 589 . 15 1 1 A 48 48 ALA CA C 48 55.769 54.963 0.806 1
1 590 . 15 1 1 A 48 48 ALA CB C 48 17.370 18.291 -0.921 1
1 591 . 15 1 1 A 48 48 ALA N N 48 123.600 122.285 1.315 1
1 592 . 15 1 1 A 49 49 LEU H H 49 8.724 8.210 0.514 1
1 593 . 15 1 1 A 49 49 LEU HA H 49 3.924 4.119 -0.195 1
1 603 . 15 1 1 A 49 49 LEU C C 49 178.188 179.017 -0.829 1
1 604 . 15 1 1 A 49 49 LEU CA C 49 57.387 57.139 0.248 1
1 605 . 15 1 1 A 49 49 LEU CB C 49 41.780 41.458 0.322 1
1 609 . 15 1 1 A 49 49 LEU N N 49 119.812 120.287 -0.475 1
1 610 . 15 1 1 A 50 50 LYS H H 50 7.421 7.971 -0.550 1
1 611 . 15 1 1 A 50 50 LYS HA H 50 3.856 3.948 -0.092 1
1 620 . 15 1 1 A 50 50 LYS C C 50 177.592 178.221 -0.629 1
1 621 . 15 1 1 A 50 50 LYS CA C 50 59.345 59.748 -0.403 1
1 622 . 15 1 1 A 50 50 LYS CB C 50 32.757 32.175 0.582 1
1 626 . 15 1 1 A 50 50 LYS N N 50 115.568 119.229 -3.661 1
1 627 . 15 1 1 A 51 51 ARG H H 51 7.787 8.121 -0.334 1
1 628 . 15 1 1 A 51 51 ARG HA H 51 4.356 4.303 0.053 1
1 635 . 15 1 1 A 51 51 ARG C C 51 176.424 175.229 1.195 1
1 636 . 15 1 1 A 51 51 ARG CA C 51 55.690 56.472 -0.782 1
1 637 . 15 1 1 A 51 51 ARG CB C 51 30.227 29.750 0.477 1
1 640 . 15 1 1 A 51 51 ARG N N 51 115.686 115.342 0.344 1
1 641 . 15 1 1 A 52 52 HIS H H 52 8.159 7.599 0.560 1
1 642 . 15 1 1 A 52 52 HIS HA H 52 4.512 4.846 -0.334 1
1 646 . 15 1 1 A 52 52 HIS C C 52 175.409 174.826 0.583 1
1 647 . 15 1 1 A 52 52 HIS CA C 52 56.087 53.875 2.212 1
1 648 . 15 1 1 A 52 52 HIS CB C 52 32.904 31.357 1.547 1
1 650 . 15 1 1 A 52 52 HIS N N 52 125.025 118.083 6.942 1
1 651 . 15 1 1 A 53 53 PRO HA H 53 4.341 4.256 0.085 1
1 658 . 15 1 1 A 53 53 PRO CA C 53 65.210 65.663 -0.453 1
1 659 . 15 1 1 A 53 53 PRO CB C 53 31.791 31.729 0.062 1
1 662 . 15 1 1 A 54 54 ASP H H 54 8.058 8.654 -0.596 1
1 663 . 15 1 1 A 54 54 ASP HA H 54 5.184 4.722 0.462 1
1 666 . 15 1 1 A 54 54 ASP C C 54 176.079 176.539 -0.460 1
1 667 . 15 1 1 A 54 54 ASP CA C 54 52.778 54.134 -1.356 1
1 668 . 15 1 1 A 54 54 ASP CB C 54 41.573 41.419 0.154 1
1 669 . 15 1 1 A 55 55 ALA H H 55 7.731 7.782 -0.051 1
1 670 . 15 1 1 A 55 55 ALA HA H 55 3.589 3.951 -0.362 1
1 674 . 15 1 1 A 55 55 ALA C C 55 178.550 179.833 -1.283 1
1 675 . 15 1 1 A 55 55 ALA CA C 55 57.024 55.247 1.777 1
1 676 . 15 1 1 A 55 55 ALA CB C 55 20.320 18.618 1.702 1
1 677 . 15 1 1 A 55 55 ALA N N 55 122.261 123.567 -1.306 1
1 678 . 15 1 1 A 56 56 THR H H 56 8.405 8.229 0.176 1
1 679 . 15 1 1 A 56 56 THR HA H 56 3.804 3.896 -0.092 1
1 684 . 15 1 1 A 56 56 THR C C 56 177.743 176.983 0.760 1
1 685 . 15 1 1 A 56 56 THR CA C 56 67.024 65.552 1.472 1
1 686 . 15 1 1 A 56 56 THR CB C 56 68.257 68.897 -0.640 1
1 688 . 15 1 1 A 56 56 THR N N 56 110.600 113.168 -2.568 1
1 689 . 15 1 1 A 57 57 SER H H 57 7.907 8.023 -0.116 1
1 690 . 15 1 1 A 57 57 SER HA H 57 4.251 4.277 -0.026 1
1 693 . 15 1 1 A 57 57 SER C C 57 176.547 175.257 1.290 1
1 694 . 15 1 1 A 57 57 SER CA C 57 60.395 61.778 -1.383 1
1 695 . 15 1 1 A 57 57 SER CB C 57 62.766 63.085 -0.319 1
1 696 . 15 1 1 A 57 57 SER N N 57 117.623 118.014 -0.391 1
1 697 . 15 1 1 A 58 58 LYS H H 58 8.180 7.720 0.460 1
1 698 . 15 1 1 A 58 58 LYS HA H 58 3.687 4.383 -0.696 1
1 707 . 15 1 1 A 58 58 LYS C C 58 178.074 177.962 0.112 1
1 708 . 15 1 1 A 58 58 LYS CA C 58 58.090 56.633 1.457 1
1 709 . 15 1 1 A 58 58 LYS CB C 58 32.328 32.776 -0.448 1
1 713 . 15 1 1 A 58 58 LYS N N 58 120.772 118.218 2.554 1
1 714 . 15 1 1 A 59 59 ILE H H 59 8.407 7.752 0.655 1
1 715 . 15 1 1 A 59 59 ILE HA H 59 3.336 3.973 -0.637 1
1 725 . 15 1 1 A 59 59 ILE C C 59 176.705 176.962 -0.257 1
1 726 . 15 1 1 A 59 59 ILE CA C 59 64.224 63.199 1.025 1
1 727 . 15 1 1 A 59 59 ILE CB C 59 38.989 38.690 0.299 1
1 731 . 15 1 1 A 59 59 ILE N N 59 119.024 118.554 0.470 1
1 732 . 15 1 1 A 60 60 GLY H H 60 7.360 8.239 -0.879 1
1 733 . 15 1 1 A 60 60 GLY HA2 H 60 3.884 3.861 0.023 1
1 734 . 15 1 1 A 60 60 GLY HA3 H 60 3.614 3.863 -0.249 1
1 735 . 15 1 1 A 60 60 GLY C C 60 173.964 174.762 -0.798 1
1 736 . 15 1 1 A 60 60 GLY CA C 60 44.586 46.688 -2.102 1
1 737 . 15 1 1 A 60 60 GLY N N 60 106.081 110.197 -4.116 1
1 738 . 15 1 1 A 61 61 PRO HA H 61 4.486 4.427 0.059 1
1 745 . 15 1 1 A 61 61 PRO C C 61 175.603 176.519 -0.916 1
1 746 . 15 1 1 A 61 61 PRO CA C 61 63.473 63.921 -0.448 1
1 747 . 15 1 1 A 61 61 PRO CB C 61 31.981 32.056 -0.075 1
1 750 . 15 1 1 A 62 62 GLY H H 62 7.835 7.176 0.659 1
1 751 . 15 1 1 A 62 62 GLY HA2 H 62 4.378 4.021 0.357 1
1 752 . 15 1 1 A 62 62 GLY HA3 H 62 3.416 4.024 -0.608 1
1 753 . 15 1 1 A 62 62 GLY C C 62 172.596 171.993 0.603 1
1 754 . 15 1 1 A 62 62 GLY CA C 62 44.498 44.997 -0.499 1
1 755 . 15 1 1 A 62 62 GLY N N 62 110.214 106.898 3.316 1
1 756 . 15 1 1 A 63 63 VAL H H 63 8.646 8.432 0.214 1
1 757 . 15 1 1 A 63 63 VAL HA H 63 3.668 4.303 -0.635 1
1 765 . 15 1 1 A 63 63 VAL C C 63 175.808 175.800 0.008 1
1 766 . 15 1 1 A 63 63 VAL CA C 63 63.681 61.983 1.698 1
1 767 . 15 1 1 A 63 63 VAL CB C 63 32.863 32.606 0.257 1
1 770 . 15 1 1 A 63 63 VAL N N 63 122.735 120.831 1.904 1
1 771 . 15 1 1 A 64 64 ARG H H 64 9.524 9.036 0.488 1
1 772 . 15 1 1 A 64 64 ARG HA H 64 4.254 4.264 -0.010 1
1 779 . 15 1 1 A 64 64 ARG C C 64 175.574 175.902 -0.328 1
1 780 . 15 1 1 A 64 64 ARG CA C 64 57.310 57.473 -0.163 1
1 781 . 15 1 1 A 64 64 ARG CB C 64 31.928 31.198 0.730 1
1 784 . 15 1 1 A 64 64 ARG N N 64 129.782 128.842 0.940 1
1 785 . 15 1 1 A 65 65 ASN H H 65 8.089 7.414 0.675 1
1 786 . 15 1 1 A 65 65 ASN HA H 65 4.662 4.903 -0.241 1
1 791 . 15 1 1 A 65 65 ASN C C 65 171.753 172.072 -0.319 1
1 792 . 15 1 1 A 65 65 ASN CA C 65 53.279 51.937 1.342 1
1 793 . 15 1 1 A 65 65 ASN CB C 65 43.717 39.707 4.010 1
1 794 . 15 1 1 A 65 65 ASN N N 65 114.163 112.249 1.914 1
1 796 . 15 1 1 A 66 66 PHE H H 66 9.064 8.634 0.430 1
1 797 . 15 1 1 A 66 66 PHE HA H 66 5.738 5.625 0.113 1
1 805 . 15 1 1 A 66 66 PHE C C 66 174.834 174.114 0.720 1
1 806 . 15 1 1 A 66 66 PHE CA C 66 56.578 56.122 0.456 1
1 807 . 15 1 1 A 66 66 PHE CB C 66 41.888 43.017 -1.129 1
1 813 . 15 1 1 A 66 66 PHE N N 66 114.774 116.043 -1.269 1
1 814 . 15 1 1 A 67 67 GLU H H 67 9.328 9.329 -0.001 1
1 815 . 15 1 1 A 67 67 GLU HA H 67 5.307 5.205 0.102 1
1 820 . 15 1 1 A 67 67 GLU C C 67 174.999 175.082 -0.083 1
1 821 . 15 1 1 A 67 67 GLU CA C 67 54.003 54.633 -0.630 1
1 822 . 15 1 1 A 67 67 GLU CB C 67 35.678 33.430 2.248 1
1 824 . 15 1 1 A 67 67 GLU N N 67 122.005 122.466 -0.461 1
1 825 . 15 1 1 A 68 68 VAL H H 68 8.598 8.486 0.112 1
1 826 . 15 1 1 A 68 68 VAL HA H 68 4.859 4.525 0.334 1
1 834 . 15 1 1 A 68 68 VAL C C 68 175.361 176.065 -0.704 1
1 835 . 15 1 1 A 68 68 VAL CA C 68 62.102 62.093 0.009 1
1 836 . 15 1 1 A 68 68 VAL CB C 68 32.865 31.738 1.127 1
1 839 . 15 1 1 A 68 68 VAL N N 68 124.692 127.297 -2.605 1
1 840 . 15 1 1 A 69 69 ARG H H 69 8.896 8.579 0.317 1
1 841 . 15 1 1 A 69 69 ARG HA H 69 4.888 4.841 0.047 1
1 848 . 15 1 1 A 69 69 ARG C C 69 175.469 174.604 0.865 1
1 849 . 15 1 1 A 69 69 ARG CA C 69 54.384 53.917 0.467 1
1 850 . 15 1 1 A 69 69 ARG CB C 69 34.979 33.895 1.084 1
1 853 . 15 1 1 A 69 69 ARG N N 69 123.599 126.658 -3.059 1
1 854 . 15 1 1 A 70 70 SER H H 70 8.758 8.568 0.190 1
1 855 . 15 1 1 A 70 70 SER HA H 70 4.511 4.716 -0.205 1
1 858 . 15 1 1 A 70 70 SER C C 70 173.488 173.479 0.009 1
1 859 . 15 1 1 A 70 70 SER CA C 70 59.858 57.189 2.669 1
1 860 . 15 1 1 A 70 70 SER CB C 70 63.927 64.354 -0.427 1
1 861 . 15 1 1 A 70 70 SER N N 70 116.239 116.875 -0.636 1
1 862 . 15 1 1 A 71 71 ALA H H 71 8.456 8.809 -0.353 1
1 863 . 15 1 1 A 71 71 ALA HA H 71 4.688 4.504 0.184 1
1 867 . 15 1 1 A 71 71 ALA C C 71 176.054 177.755 -1.701 1
1 868 . 15 1 1 A 71 71 ALA CA C 71 51.016 53.306 -2.290 1
1 869 . 15 1 1 A 71 71 ALA CB C 71 20.324 20.374 -0.050 1
1 870 . 15 1 1 A 71 71 ALA N N 71 128.999 124.713 4.286 1
1 871 . 15 1 1 A 72 72 ASP H H 72 7.968 8.499 -0.531 1
1 872 . 15 1 1 A 72 72 ASP HA H 72 4.361 4.455 -0.094 1
1 875 . 15 1 1 A 72 72 ASP C C 72 176.444 176.980 -0.536 1
1 876 . 15 1 1 A 72 72 ASP CA C 72 54.732 55.400 -0.668 1
1 877 . 15 1 1 A 72 72 ASP CB C 72 41.060 41.259 -0.199 1
1 878 . 15 1 1 A 72 72 ASP N N 72 118.176 116.202 1.974 1
1 879 . 15 1 1 A 73 73 TYR H H 73 8.768 8.208 0.560 1
1 880 . 15 1 1 A 73 73 TYR HA H 73 4.309 4.718 -0.409 1
1 887 . 15 1 1 A 73 73 TYR C C 73 176.601 176.990 -0.389 1
1 888 . 15 1 1 A 73 73 TYR CA C 73 58.799 59.484 -0.685 1
1 889 . 15 1 1 A 73 73 TYR CB C 73 36.239 40.128 -3.889 1
1 894 . 15 1 1 A 73 73 TYR N N 73 117.846 113.699 4.147 1
1 895 . 15 1 1 A 74 74 GLY H H 74 8.533 8.192 0.341 1
1 896 . 15 1 1 A 74 74 GLY HA2 H 74 4.069 4.053 0.016 1
1 897 . 15 1 1 A 74 74 GLY HA3 H 74 3.844 4.067 -0.223 1
1 898 . 15 1 1 A 74 74 GLY C C 74 175.060 174.203 0.857 1
1 899 . 15 1 1 A 74 74 GLY CA C 74 46.117 45.400 0.717 1
1 900 . 15 1 1 A 74 74 GLY N N 74 108.255 107.333 0.922 1
1 901 . 15 1 1 A 75 75 THR H H 75 7.534 7.775 -0.241 1
1 902 . 15 1 1 A 75 75 THR HA H 75 4.687 4.405 0.282 1
1 907 . 15 1 1 A 75 75 THR C C 75 173.779 174.343 -0.564 1
1 908 . 15 1 1 A 75 75 THR CA C 75 61.115 61.858 -0.743 1
1 909 . 15 1 1 A 75 75 THR CB C 75 71.585 69.896 1.689 1
1 911 . 15 1 1 A 75 75 THR N N 75 111.431 112.879 -1.448 1
1 912 . 15 1 1 A 76 76 GLN H H 76 8.590 8.522 0.068 1
1 913 . 15 1 1 A 76 76 GLN HA H 76 5.238 5.106 0.132 1
1 920 . 15 1 1 A 76 76 GLN C C 76 173.605 174.900 -1.295 1
1 921 . 15 1 1 A 76 76 GLN CA C 76 54.556 54.494 0.062 1
1 922 . 15 1 1 A 76 76 GLN CB C 76 31.657 31.026 0.631 1
1 924 . 15 1 1 A 76 76 GLN N N 76 117.495 123.669 -6.174 1
1 926 . 15 1 1 A 77 77 CYS H H 77 9.058 8.910 0.148 1
1 927 . 15 1 1 A 77 77 CYS HA H 77 4.780 4.903 -0.123 1
1 930 . 15 1 1 A 77 77 CYS C C 77 172.371 173.244 -0.873 1
1 931 . 15 1 1 A 77 77 CYS CA C 77 56.886 57.631 -0.745 1
1 932 . 15 1 1 A 77 77 CYS CB C 77 31.492 31.157 0.335 1
1 933 . 15 1 1 A 77 77 CYS N N 77 114.572 119.915 -5.343 1
1 934 . 15 1 1 A 78 78 PHE H H 78 8.872 8.675 0.197 1
1 935 . 15 1 1 A 78 78 PHE HA H 78 5.419 5.094 0.325 1
1 943 . 15 1 1 A 78 78 PHE CA C 78 58.466 56.596 1.870 1
1 944 . 15 1 1 A 78 78 PHE CB C 78 42.360 39.962 2.398 1
1 950 . 15 1 1 A 78 78 PHE N N 78 120.396 122.309 -1.913 1
1 951 . 15 1 1 A 79 79 TRP H H 79 10.003 9.503 0.500 1
1 952 . 15 1 1 A 79 79 TRP HA H 79 4.907 5.815 -0.908 1
1 961 . 15 1 1 A 79 79 TRP CA C 79 57.535 56.224 1.311 1
1 962 . 15 1 1 A 79 79 TRP CB C 79 30.788 31.412 -0.624 1
1 968 . 15 1 1 A 79 79 TRP N N 79 120.993 122.986 -1.993 1
1 970 . 15 1 1 A 80 80 ILE H H 80 9.669 9.409 0.260 1
1 971 . 15 1 1 A 80 80 ILE HA H 80 3.773 4.322 -0.549 1
1 981 . 15 1 1 A 80 80 ILE C C 80 174.675 175.364 -0.689 1
1 982 . 15 1 1 A 80 80 ILE CA C 80 61.505 60.803 0.702 1
1 983 . 15 1 1 A 80 80 ILE CB C 80 40.765 37.304 3.461 1
1 987 . 15 1 1 A 80 80 ILE N N 80 122.205 125.294 -3.089 1
1 988 . 15 1 1 A 81 81 LEU H H 81 8.489 8.891 -0.402 1
1 989 . 15 1 1 A 81 81 LEU HA H 81 5.037 4.732 0.305 1
1 999 . 15 1 1 A 81 81 LEU C C 81 177.301 176.030 1.271 1
1 1000 . 15 1 1 A 81 81 LEU CA C 81 53.483 54.265 -0.782 1
1 1001 . 15 1 1 A 81 81 LEU CB C 81 40.344 41.058 -0.714 1
1 1005 . 15 1 1 A 81 81 LEU N N 81 127.849 129.175 -1.326 1
1 1006 . 15 1 1 A 82 82 ARG H H 82 8.980 8.577 0.403 1
1 1007 . 15 1 1 A 82 82 ARG HA H 82 5.127 4.346 0.781 1
1 1014 . 15 1 1 A 82 82 ARG C C 82 179.527 177.681 1.846 1
1 1015 . 15 1 1 A 82 82 ARG CA C 82 57.410 55.808 1.602 1
1 1016 . 15 1 1 A 82 82 ARG CB C 82 31.995 30.892 1.103 1
1 1019 . 15 1 1 A 82 82 ARG N N 82 121.829 125.107 -3.278 1
1 1020 . 15 1 1 A 83 83 THR H H 83 8.427 9.012 -0.585 1
1 1021 . 15 1 1 A 83 83 THR HA H 83 3.823 3.959 -0.136 1
1 1026 . 15 1 1 A 83 83 THR C C 83 174.540 176.291 -1.751 1
1 1027 . 15 1 1 A 83 83 THR CA C 83 64.441 65.225 -0.784 1
1 1028 . 15 1 1 A 83 83 THR CB C 83 67.987 68.316 -0.329 1
1 1030 . 15 1 1 A 83 83 THR N N 83 111.631 117.210 -5.579 1
1 1031 . 15 1 1 A 84 84 ASP H H 84 7.431 7.957 -0.526 1
1 1032 . 15 1 1 A 84 84 ASP HA H 84 4.706 4.477 0.229 1
1 1035 . 15 1 1 A 84 84 ASP C C 84 177.092 176.177 0.915 1
1 1036 . 15 1 1 A 84 84 ASP CA C 84 52.983 54.967 -1.984 1
1 1037 . 15 1 1 A 84 84 ASP CB C 84 40.502 41.119 -0.617 1
1 1038 . 15 1 1 A 84 84 ASP N N 84 117.630 121.583 -3.953 1
1 1039 . 15 1 1 A 85 85 GLY H H 85 7.924 7.937 -0.013 1
1 1040 . 15 1 1 A 85 85 GLY HA2 H 85 3.741 4.019 -0.278 1
1 1041 . 15 1 1 A 85 85 GLY HA3 H 85 4.364 4.022 0.342 1
1 1042 . 15 1 1 A 85 85 GLY C C 85 174.007 174.274 -0.267 1
1 1043 . 15 1 1 A 85 85 GLY CA C 85 45.370 45.164 0.206 1
1 1044 . 15 1 1 A 85 85 GLY N N 85 108.078 107.935 0.143 1
1 1045 . 15 1 1 A 86 86 SER H H 86 8.009 7.539 0.470 1
1 1046 . 15 1 1 A 86 86 SER HA H 86 4.563 4.640 -0.077 1
1 1049 . 15 1 1 A 86 86 SER C C 86 172.835 173.961 -1.126 1
1 1050 . 15 1 1 A 86 86 SER CA C 86 58.731 58.067 0.664 1
1 1051 . 15 1 1 A 86 86 SER CB C 86 64.803 65.042 -0.239 1
1 1052 . 15 1 1 A 86 86 SER N N 86 117.029 115.872 1.157 1
1 1053 . 15 1 1 A 87 87 GLU H H 87 8.593 9.054 -0.461 1
1 1054 . 15 1 1 A 87 87 GLU HA H 87 5.921 5.601 0.320 1
1 1059 . 15 1 1 A 87 87 GLU C C 87 175.873 174.713 1.160 1
1 1060 . 15 1 1 A 87 87 GLU CA C 87 54.343 54.567 -0.224 1
1 1061 . 15 1 1 A 87 87 GLU CB C 87 33.925 34.020 -0.095 1
1 1063 . 15 1 1 A 87 87 GLU N N 87 116.585 118.214 -1.629 1
1 1064 . 15 1 1 A 88 88 GLU HA H 88 4.496 5.036 -0.540 1
1 1069 . 15 1 1 A 88 88 GLU CA C 88 55.840 54.909 0.931 1
1 1070 . 15 1 1 A 88 88 GLU CB C 88 34.310 33.757 0.553 1
1 1072 . 15 1 1 A 89 89 ARG H H 89 8.013 8.618 -0.605 1
1 1073 . 15 1 1 A 89 89 ARG HA H 89 3.184 4.763 -1.579 1
1 1080 . 15 1 1 A 89 89 ARG CA C 89 56.576 54.006 2.570 1
1 1081 . 15 1 1 A 89 89 ARG CB C 89 30.462 32.585 -2.123 1
1 1084 . 15 1 1 A 89 89 ARG N N 89 127.945 122.074 5.871 1
1 1085 . 15 1 1 A 90 90 PHE HA H 90 5.021 5.604 -0.583 1
1 1093 . 15 1 1 A 90 90 PHE CA C 90 55.089 55.318 -0.229 1
1 1094 . 15 1 1 A 90 90 PHE CB C 90 40.446 42.385 -1.939 1
1 1100 . 15 1 1 A 91 91 SER HA H 91 4.639 4.401 0.238 1
1 1103 . 15 1 1 A 91 91 SER CA C 91 56.242 57.485 -1.243 1
1 1104 . 15 1 1 A 91 91 SER CB C 91 62.621 62.729 -0.108 1
1 1105 . 15 1 1 A 92 92 TYR HA H 92 4.268 4.248 0.020 1
1 1112 . 15 1 1 A 92 92 TYR C C 92 176.450 176.739 -0.289 1
1 1113 . 15 1 1 A 92 92 TYR CA C 92 59.575 61.272 -1.697 1
1 1114 . 15 1 1 A 92 92 TYR CB C 92 37.283 37.760 -0.477 1
1 1119 . 15 1 1 A 93 93 LYS H H 93 7.405 7.657 -0.252 1
1 1120 . 15 1 1 A 93 93 LYS HA H 93 3.749 3.960 -0.211 1
1 1129 . 15 1 1 A 93 93 LYS C C 93 177.715 177.006 0.709 1
1 1130 . 15 1 1 A 93 93 LYS CA C 93 58.446 57.927 0.519 1
1 1131 . 15 1 1 A 93 93 LYS CB C 93 31.822 31.067 0.755 1
1 1135 . 15 1 1 A 93 93 LYS N N 93 120.689 117.245 3.444 1
1 1136 . 15 1 1 A 94 94 LYS H H 94 7.405 7.866 -0.461 1
1 1137 . 15 1 1 A 94 94 LYS HA H 94 4.079 4.455 -0.376 1
1 1146 . 15 1 1 A 94 94 LYS C C 94 176.709 176.433 0.276 1
1 1147 . 15 1 1 A 94 94 LYS CA C 94 56.479 55.522 0.957 1
1 1148 . 15 1 1 A 94 94 LYS CB C 94 32.760 30.420 2.340 1
1 1152 . 15 1 1 A 94 94 LYS N N 94 115.712 118.617 -2.905 1
1 1153 . 15 1 1 A 95 95 CYS H H 95 7.537 7.927 -0.390 1
1 1154 . 15 1 1 A 95 95 CYS HA H 95 3.937 4.790 -0.853 1
1 1157 . 15 1 1 A 95 95 CYS C C 95 173.487 175.438 -1.951 1
1 1158 . 15 1 1 A 95 95 CYS CA C 95 61.795 58.322 3.473 1
1 1159 . 15 1 1 A 95 95 CYS CB C 95 27.546 28.467 -0.921 1
1 1160 . 15 1 1 A 95 95 CYS N N 95 115.586 117.974 -2.388 1
1 1161 . 15 1 1 A 96 96 VAL HA H 96 4.154 3.823 0.331 1
1 1169 . 15 1 1 A 96 96 VAL C C 96 175.216 176.429 -1.213 1
1 1170 . 15 1 1 A 96 96 VAL CA C 96 61.916 65.181 -3.265 1
1 1171 . 15 1 1 A 96 96 VAL CB C 96 31.695 32.210 -0.515 1
1 1174 . 15 1 1 A 97 97 LEU H H 97 8.002 8.037 -0.035 1
1 1175 . 15 1 1 A 97 97 LEU HA H 97 4.316 4.641 -0.325 1
1 1185 . 15 1 1 A 97 97 LEU C C 97 176.168 175.053 1.115 1
1 1186 . 15 1 1 A 97 97 LEU CA C 97 54.770 56.424 -1.654 1
1 1187 . 15 1 1 A 97 97 LEU CB C 97 42.558 44.496 -1.938 1
1 1191 . 15 1 1 A 97 97 LEU N N 97 124.364 120.339 4.025 1
1 1192 . 15 1 1 A 98 98 GLU H H 98 8.345 7.660 0.685 1
1 1193 . 15 1 1 A 98 98 GLU HA H 98 4.301 4.725 -0.424 1
1 1198 . 15 1 1 A 98 98 GLU C C 98 175.732 175.822 -0.090 1
1 1199 . 15 1 1 A 98 98 GLU CA C 98 55.988 54.176 1.812 1
1 1200 . 15 1 1 A 98 98 GLU CB C 98 30.989 34.179 -3.190 1
1 1 . 16 1 1 A 2 2 ALA HA H 2 4.102 4.561 -0.459 1
1 5 . 16 1 1 A 2 2 ALA CA C 2 51.775 52.042 -0.267 1
1 6 . 16 1 1 A 2 2 ALA CB C 2 19.665 18.753 0.912 1
1 7 . 16 1 1 A 3 3 LYS HA H 3 4.329 4.860 -0.531 1
1 15 . 16 1 1 A 3 3 LYS C C 3 176.086 175.731 0.355 1
1 16 . 16 1 1 A 3 3 LYS CA C 3 56.354 54.383 1.971 1
1 17 . 16 1 1 A 3 3 LYS CB C 3 33.325 36.754 -3.429 1
1 21 . 16 1 1 A 4 4 ALA H H 4 8.515 8.479 0.036 1
1 22 . 16 1 1 A 4 4 ALA HA H 4 4.356 4.327 0.029 1
1 26 . 16 1 1 A 4 4 ALA C C 4 177.307 176.489 0.818 1
1 27 . 16 1 1 A 4 4 ALA CA C 4 52.316 51.765 0.551 1
1 28 . 16 1 1 A 4 4 ALA CB C 4 19.421 17.446 1.975 1
1 29 . 16 1 1 A 4 4 ALA N N 4 126.866 124.491 2.375 1
1 30 . 16 1 1 A 5 5 GLN H H 5 8.521 8.017 0.504 1
1 31 . 16 1 1 A 5 5 GLN HA H 5 4.652 4.636 0.016 1
1 38 . 16 1 1 A 5 5 GLN C C 5 173.576 174.091 -0.515 1
1 39 . 16 1 1 A 5 5 GLN CA C 5 53.470 53.748 -0.278 1
1 40 . 16 1 1 A 5 5 GLN CB C 5 29.457 28.080 1.377 1
1 42 . 16 1 1 A 5 5 GLN N N 5 122.182 120.588 1.594 1
1 44 . 16 1 1 A 6 6 PRO HA H 6 4.587 4.620 -0.033 1
1 51 . 16 1 1 A 6 6 PRO C C 6 176.481 176.536 -0.055 1
1 52 . 16 1 1 A 6 6 PRO CA C 6 63.028 62.531 0.497 1
1 53 . 16 1 1 A 6 6 PRO CB C 6 32.905 32.588 0.317 1
1 56 . 16 1 1 A 7 7 ILE H H 7 8.581 8.442 0.139 1
1 57 . 16 1 1 A 7 7 ILE HA H 7 4.245 4.255 -0.010 1
1 67 . 16 1 1 A 7 7 ILE C C 7 174.129 174.776 -0.647 1
1 68 . 16 1 1 A 7 7 ILE CA C 7 60.613 60.824 -0.211 1
1 69 . 16 1 1 A 7 7 ILE CB C 7 40.266 36.973 3.293 1
1 73 . 16 1 1 A 7 7 ILE N N 7 120.418 123.690 -3.272 1
1 74 . 16 1 1 A 8 8 GLU H H 8 8.572 8.588 -0.016 1
1 75 . 16 1 1 A 8 8 GLU HA H 8 5.363 5.307 0.056 1
1 80 . 16 1 1 A 8 8 GLU C C 8 175.806 175.687 0.119 1
1 81 . 16 1 1 A 8 8 GLU CA C 8 54.749 55.554 -0.805 1
1 82 . 16 1 1 A 8 8 GLU CB C 8 31.505 31.086 0.419 1
1 84 . 16 1 1 A 8 8 GLU N N 8 128.440 128.502 -0.062 1
1 85 . 16 1 1 A 9 9 ILE H H 9 8.591 9.124 -0.533 1
1 86 . 16 1 1 A 9 9 ILE HA H 9 4.111 4.470 -0.359 1
1 96 . 16 1 1 A 9 9 ILE C C 9 174.977 176.193 -1.216 1
1 97 . 16 1 1 A 9 9 ILE CA C 9 60.967 60.063 0.904 1
1 98 . 16 1 1 A 9 9 ILE CB C 9 41.559 40.080 1.479 1
1 102 . 16 1 1 A 9 9 ILE N N 9 123.957 127.771 -3.814 1
1 103 . 16 1 1 A 10 10 ALA H H 10 9.398 9.196 0.202 1
1 104 . 16 1 1 A 10 10 ALA HA H 10 4.072 4.081 -0.009 1
1 108 . 16 1 1 A 10 10 ALA C C 10 177.026 177.357 -0.331 1
1 109 . 16 1 1 A 10 10 ALA CA C 10 52.646 53.398 -0.752 1
1 110 . 16 1 1 A 10 10 ALA CB C 10 18.121 17.991 0.130 1
1 111 . 16 1 1 A 10 10 ALA N N 10 130.074 131.971 -1.897 1
1 112 . 16 1 1 A 11 11 GLY H H 11 8.958 8.629 0.329 1
1 113 . 16 1 1 A 11 11 GLY HA2 H 11 4.046 3.706 0.340 1
1 114 . 16 1 1 A 11 11 GLY HA3 H 11 3.570 3.770 -0.200 1
1 115 . 16 1 1 A 11 11 GLY C C 11 174.139 173.685 0.454 1
1 116 . 16 1 1 A 11 11 GLY CA C 11 45.467 45.657 -0.190 1
1 117 . 16 1 1 A 11 11 GLY N N 11 105.460 102.911 2.549 1
1 118 . 16 1 1 A 12 12 HIS H H 12 8.189 7.702 0.487 1
1 119 . 16 1 1 A 12 12 HIS HA H 12 4.325 4.732 -0.407 1
1 124 . 16 1 1 A 12 12 HIS C C 12 173.060 173.448 -0.388 1
1 125 . 16 1 1 A 12 12 HIS CA C 12 54.628 54.515 0.113 1
1 126 . 16 1 1 A 12 12 HIS CB C 12 30.432 32.132 -1.700 1
1 129 . 16 1 1 A 12 12 HIS N N 12 120.216 117.081 3.135 1
1 130 . 16 1 1 A 13 13 GLU H H 13 8.338 8.646 -0.308 1
1 131 . 16 1 1 A 13 13 GLU HA H 13 4.659 4.857 -0.198 1
1 136 . 16 1 1 A 13 13 GLU C C 13 175.231 175.262 -0.031 1
1 137 . 16 1 1 A 13 13 GLU CA C 13 55.147 55.302 -0.155 1
1 138 . 16 1 1 A 13 13 GLU CB C 13 31.218 30.698 0.520 1
1 140 . 16 1 1 A 13 13 GLU N N 13 122.925 123.308 -0.383 1
1 141 . 16 1 1 A 14 14 PHE H H 14 9.117 9.287 -0.170 1
1 142 . 16 1 1 A 14 14 PHE HA H 14 4.941 4.951 -0.010 1
1 150 . 16 1 1 A 14 14 PHE C C 14 175.179 176.026 -0.847 1
1 151 . 16 1 1 A 14 14 PHE CA C 14 56.302 56.274 0.028 1
1 152 . 16 1 1 A 14 14 PHE CB C 14 41.499 42.199 -0.700 1
1 158 . 16 1 1 A 14 14 PHE N N 14 123.141 121.223 1.918 1
1 159 . 16 1 1 A 15 15 ALA H H 15 9.393 8.706 0.687 1
1 160 . 16 1 1 A 15 15 ALA HA H 15 4.130 4.265 -0.135 1
1 164 . 16 1 1 A 15 15 ALA C C 15 177.675 177.413 0.262 1
1 165 . 16 1 1 A 15 15 ALA CA C 15 54.880 54.027 0.853 1
1 166 . 16 1 1 A 15 15 ALA CB C 15 18.986 19.931 -0.945 1
1 167 . 16 1 1 A 15 15 ALA N N 15 126.102 123.840 2.262 1
1 168 . 16 1 1 A 16 16 ARG H H 16 7.756 7.831 -0.075 1
1 169 . 16 1 1 A 16 16 ARG HA H 16 4.809 4.706 0.103 1
1 176 . 16 1 1 A 16 16 ARG C C 16 177.344 175.980 1.364 1
1 177 . 16 1 1 A 16 16 ARG CA C 16 53.409 54.694 -1.285 1
1 178 . 16 1 1 A 16 16 ARG CB C 16 33.323 33.653 -0.330 1
1 181 . 16 1 1 A 16 16 ARG N N 16 110.189 117.766 -7.577 1
1 182 . 16 1 1 A 17 17 LYS H H 17 9.303 8.805 0.498 1
1 183 . 16 1 1 A 17 17 LYS HA H 17 3.742 3.898 -0.156 1
1 192 . 16 1 1 A 17 17 LYS C C 17 178.667 177.916 0.751 1
1 193 . 16 1 1 A 17 17 LYS CA C 17 60.663 59.961 0.702 1
1 194 . 16 1 1 A 17 17 LYS CB C 17 32.005 32.098 -0.093 1
1 198 . 16 1 1 A 17 17 LYS N N 17 125.242 126.206 -0.964 1
1 199 . 16 1 1 A 18 18 ALA H H 18 8.777 8.138 0.639 1
1 200 . 16 1 1 A 18 18 ALA HA H 18 4.046 4.090 -0.044 1
1 204 . 16 1 1 A 18 18 ALA C C 18 180.134 179.569 0.565 1
1 205 . 16 1 1 A 18 18 ALA CA C 18 55.181 54.671 0.510 1
1 206 . 16 1 1 A 18 18 ALA CB C 18 18.633 18.446 0.187 1
1 207 . 16 1 1 A 18 18 ALA N N 18 118.670 120.339 -1.669 1
1 208 . 16 1 1 A 19 19 ASP H H 19 7.454 8.218 -0.764 1
1 209 . 16 1 1 A 19 19 ASP HA H 19 4.586 4.405 0.181 1
1 212 . 16 1 1 A 19 19 ASP C C 19 178.469 178.072 0.397 1
1 213 . 16 1 1 A 19 19 ASP CA C 19 57.082 56.472 0.610 1
1 214 . 16 1 1 A 19 19 ASP CB C 19 41.304 41.252 0.052 1
1 215 . 16 1 1 A 19 19 ASP N N 19 117.020 119.297 -2.277 1
1 216 . 16 1 1 A 20 20 ALA H H 20 7.123 7.476 -0.353 1
1 217 . 16 1 1 A 20 20 ALA HA H 20 2.604 2.883 -0.279 1
1 221 . 16 1 1 A 20 20 ALA C C 20 178.706 179.847 -1.141 1
1 222 . 16 1 1 A 20 20 ALA CA C 20 54.453 54.505 -0.052 1
1 223 . 16 1 1 A 20 20 ALA CB C 20 18.199 17.850 0.349 1
1 224 . 16 1 1 A 20 20 ALA N N 20 124.691 121.872 2.819 1
1 225 . 16 1 1 A 21 21 LEU H H 21 7.871 8.005 -0.134 1
1 226 . 16 1 1 A 21 21 LEU HA H 21 4.008 4.115 -0.107 1
1 236 . 16 1 1 A 21 21 LEU C C 21 179.041 179.004 0.037 1
1 237 . 16 1 1 A 21 21 LEU CA C 21 58.398 58.004 0.394 1
1 238 . 16 1 1 A 21 21 LEU CB C 21 41.382 41.661 -0.279 1
1 242 . 16 1 1 A 21 21 LEU N N 21 116.889 118.966 -2.077 1
1 243 . 16 1 1 A 22 22 ALA H H 22 7.972 8.503 -0.531 1
1 244 . 16 1 1 A 22 22 ALA HA H 22 4.158 4.130 0.028 1
1 248 . 16 1 1 A 22 22 ALA C C 22 179.288 179.217 0.071 1
1 249 . 16 1 1 A 22 22 ALA CA C 22 55.180 55.066 0.114 1
1 250 . 16 1 1 A 22 22 ALA CB C 22 18.013 18.509 -0.496 1
1 251 . 16 1 1 A 22 22 ALA N N 22 121.219 121.178 0.041 1
1 252 . 16 1 1 A 23 23 PHE H H 23 7.546 8.299 -0.753 1
1 253 . 16 1 1 A 23 23 PHE HA H 23 4.081 4.029 0.052 1
1 261 . 16 1 1 A 23 23 PHE C C 23 178.515 176.670 1.845 1
1 262 . 16 1 1 A 23 23 PHE CA C 23 61.520 61.608 -0.088 1
1 263 . 16 1 1 A 23 23 PHE CB C 23 40.296 39.220 1.076 1
1 269 . 16 1 1 A 23 23 PHE N N 23 119.034 119.656 -0.622 1
1 270 . 16 1 1 A 24 24 MET H H 24 7.595 8.120 -0.525 1
1 271 . 16 1 1 A 24 24 MET HA H 24 3.768 3.878 -0.110 1
1 279 . 16 1 1 A 24 24 MET C C 24 176.037 178.486 -2.449 1
1 280 . 16 1 1 A 24 24 MET CA C 24 59.901 58.340 1.561 1
1 281 . 16 1 1 A 24 24 MET CB C 24 34.008 32.306 1.702 1
1 284 . 16 1 1 A 24 24 MET N N 24 118.377 116.985 1.392 1
1 285 . 16 1 1 A 25 25 LYS H H 25 8.131 7.887 0.244 1
1 286 . 16 1 1 A 25 25 LYS HA H 25 3.747 4.208 -0.461 1
1 295 . 16 1 1 A 25 25 LYS C C 25 178.865 178.660 0.205 1
1 296 . 16 1 1 A 25 25 LYS CA C 25 59.994 59.160 0.834 1
1 297 . 16 1 1 A 25 25 LYS CB C 25 32.365 32.381 -0.016 1
1 301 . 16 1 1 A 25 25 LYS N N 25 121.901 120.396 1.505 1
1 302 . 16 1 1 A 26 26 VAL H H 26 7.986 8.287 -0.301 1
1 303 . 16 1 1 A 26 26 VAL HA H 26 3.515 3.559 -0.044 1
1 311 . 16 1 1 A 26 26 VAL C C 26 178.654 177.875 0.779 1
1 312 . 16 1 1 A 26 26 VAL CA C 26 66.337 66.710 -0.373 1
1 313 . 16 1 1 A 26 26 VAL CB C 26 31.302 31.529 -0.227 1
1 316 . 16 1 1 A 26 26 VAL N N 26 119.393 119.978 -0.585 1
1 317 . 16 1 1 A 27 27 MET H H 27 7.232 8.123 -0.891 1
1 318 . 16 1 1 A 27 27 MET HA H 27 3.586 4.093 -0.507 1
1 326 . 16 1 1 A 27 27 MET C C 27 177.564 178.550 -0.986 1
1 327 . 16 1 1 A 27 27 MET CA C 27 59.113 58.246 0.867 1
1 328 . 16 1 1 A 27 27 MET CB C 27 34.025 32.400 1.625 1
1 331 . 16 1 1 A 27 27 MET N N 27 119.647 119.123 0.524 1
1 332 . 16 1 1 A 28 28 LEU H H 28 8.201 8.171 0.030 1
1 333 . 16 1 1 A 28 28 LEU HA H 28 3.733 3.940 -0.207 1
1 343 . 16 1 1 A 28 28 LEU C C 28 178.075 178.679 -0.604 1
1 344 . 16 1 1 A 28 28 LEU CA C 28 57.980 58.035 -0.055 1
1 345 . 16 1 1 A 28 28 LEU CB C 28 41.151 41.161 -0.010 1
1 349 . 16 1 1 A 28 28 LEU N N 28 118.420 123.531 -5.111 1
1 350 . 16 1 1 A 29 29 ASN H H 29 7.579 8.174 -0.595 1
1 351 . 16 1 1 A 29 29 ASN HA H 29 4.512 4.698 -0.186 1
1 356 . 16 1 1 A 29 29 ASN C C 29 176.087 178.192 -2.105 1
1 357 . 16 1 1 A 29 29 ASN CA C 29 54.286 55.888 -1.602 1
1 358 . 16 1 1 A 29 29 ASN CB C 29 38.984 38.227 0.757 1
1 359 . 16 1 1 A 29 29 ASN N N 29 112.254 116.910 -4.656 1
1 361 . 16 1 1 A 30 30 ARG H H 30 7.621 7.674 -0.053 1
1 362 . 16 1 1 A 30 30 ARG HA H 30 4.169 3.937 0.232 1
1 369 . 16 1 1 A 30 30 ARG C C 30 175.926 176.141 -0.215 1
1 370 . 16 1 1 A 30 30 ARG CA C 30 57.482 58.719 -1.237 1
1 371 . 16 1 1 A 30 30 ARG CB C 30 30.404 30.408 -0.004 1
1 374 . 16 1 1 A 30 30 ARG N N 30 118.878 119.530 -0.652 1
1 375 . 16 1 1 A 31 31 TYR H H 31 7.287 7.897 -0.610 1
1 376 . 16 1 1 A 31 31 TYR HA H 31 4.690 4.754 -0.064 1
1 383 . 16 1 1 A 31 31 TYR C C 31 174.348 175.911 -1.563 1
1 384 . 16 1 1 A 31 31 TYR CA C 31 58.118 57.972 0.146 1
1 385 . 16 1 1 A 31 31 TYR CB C 31 43.045 40.428 2.617 1
1 390 . 16 1 1 A 31 31 TYR N N 31 118.414 117.132 1.282 1
1 391 . 16 1 1 A 32 32 ARG H H 32 9.314 8.347 0.967 1
1 392 . 16 1 1 A 32 32 ARG HA H 32 4.913 4.775 0.138 1
1 399 . 16 1 1 A 32 32 ARG C C 32 173.525 174.692 -1.167 1
1 400 . 16 1 1 A 32 32 ARG CA C 32 52.775 53.568 -0.793 1
1 401 . 16 1 1 A 32 32 ARG CB C 32 30.292 30.214 0.078 1
1 404 . 16 1 1 A 32 32 ARG N N 32 121.876 121.357 0.519 1
1 405 . 16 1 1 A 33 33 PRO HA H 33 3.870 4.510 -0.640 1
1 412 . 16 1 1 A 33 33 PRO C C 33 177.517 177.198 0.319 1
1 413 . 16 1 1 A 33 33 PRO CA C 33 64.332 63.113 1.219 1
1 414 . 16 1 1 A 33 33 PRO CB C 33 31.655 30.230 1.425 1
1 417 . 16 1 1 A 34 34 GLY H H 34 9.584 8.685 0.899 1
1 418 . 16 1 1 A 34 34 GLY HA2 H 34 4.422 4.017 0.405 1
1 419 . 16 1 1 A 34 34 GLY HA3 H 34 3.725 4.045 -0.320 1
1 420 . 16 1 1 A 34 34 GLY C C 34 174.605 174.334 0.271 1
1 421 . 16 1 1 A 34 34 GLY CA C 34 44.745 45.149 -0.404 1
1 422 . 16 1 1 A 34 34 GLY N N 34 115.669 112.679 2.990 1
1 423 . 16 1 1 A 35 35 ASP H H 35 8.252 8.250 0.002 1
1 424 . 16 1 1 A 35 35 ASP HA H 35 4.691 4.779 -0.088 1
1 427 . 16 1 1 A 35 35 ASP C C 35 175.279 175.855 -0.576 1
1 428 . 16 1 1 A 35 35 ASP CA C 35 55.195 54.295 0.900 1
1 429 . 16 1 1 A 35 35 ASP CB C 35 42.301 41.993 0.308 1
1 430 . 16 1 1 A 35 35 ASP N N 35 122.076 120.924 1.152 1
1 431 . 16 1 1 A 36 36 ILE H H 36 8.194 8.589 -0.395 1
1 432 . 16 1 1 A 36 36 ILE HA H 36 4.546 4.119 0.427 1
1 442 . 16 1 1 A 36 36 ILE C C 36 176.709 176.139 0.570 1
1 443 . 16 1 1 A 36 36 ILE CA C 36 59.572 60.737 -1.165 1
1 444 . 16 1 1 A 36 36 ILE CB C 36 37.870 37.852 0.018 1
1 448 . 16 1 1 A 36 36 ILE N N 36 120.260 123.471 -3.211 1
1 449 . 16 1 1 A 37 37 VAL H H 37 7.963 8.455 -0.492 1
1 450 . 16 1 1 A 37 37 VAL HA H 37 3.671 3.362 0.309 1
1 458 . 16 1 1 A 37 37 VAL C C 37 176.530 176.150 0.380 1
1 459 . 16 1 1 A 37 37 VAL CA C 37 62.969 63.039 -0.070 1
1 460 . 16 1 1 A 37 37 VAL CB C 37 32.201 31.639 0.562 1
1 463 . 16 1 1 A 37 37 VAL N N 37 126.533 128.107 -1.574 1
1 464 . 16 1 1 A 38 38 SER H H 38 8.852 8.714 0.138 1
1 465 . 16 1 1 A 38 38 SER HA H 38 4.600 4.531 0.069 1
1 468 . 16 1 1 A 38 38 SER C C 38 174.950 175.982 -1.032 1
1 469 . 16 1 1 A 38 38 SER CA C 38 58.147 58.869 -0.722 1
1 470 . 16 1 1 A 38 38 SER CB C 38 65.224 64.286 0.938 1
1 471 . 16 1 1 A 38 38 SER N N 38 122.752 122.539 0.213 1
1 472 . 16 1 1 A 39 39 THR H H 39 8.870 8.858 0.012 1
1 473 . 16 1 1 A 39 39 THR HA H 39 4.153 3.982 0.171 1
1 478 . 16 1 1 A 39 39 THR C C 39 177.855 175.951 1.904 1
1 479 . 16 1 1 A 39 39 THR CA C 39 66.299 66.806 -0.507 1
1 480 . 16 1 1 A 39 39 THR CB C 39 68.559 69.111 -0.552 1
1 482 . 16 1 1 A 39 39 THR N N 39 116.391 118.334 -1.943 1
1 483 . 16 1 1 A 40 40 VAL H H 40 8.018 8.123 -0.105 1
1 484 . 16 1 1 A 40 40 VAL HA H 40 4.028 3.650 0.378 1
1 492 . 16 1 1 A 40 40 VAL C C 40 178.339 177.670 0.669 1
1 493 . 16 1 1 A 40 40 VAL CA C 40 65.776 66.994 -1.218 1
1 494 . 16 1 1 A 40 40 VAL CB C 40 32.139 31.395 0.744 1
1 497 . 16 1 1 A 40 40 VAL N N 40 121.035 121.483 -0.448 1
1 498 . 16 1 1 A 41 41 ASP H H 41 7.610 8.800 -1.190 1
1 499 . 16 1 1 A 41 41 ASP HA H 41 4.570 4.394 0.176 1
1 502 . 16 1 1 A 41 41 ASP C C 41 178.746 180.008 -1.262 1
1 503 . 16 1 1 A 41 41 ASP CA C 41 57.492 57.202 0.290 1
1 504 . 16 1 1 A 41 41 ASP CB C 41 39.740 40.052 -0.312 1
1 505 . 16 1 1 A 41 41 ASP N N 41 124.108 119.815 4.293 1
1 506 . 16 1 1 A 42 42 GLY H H 42 9.363 8.700 0.663 1
1 507 . 16 1 1 A 42 42 GLY HA2 H 42 4.186 3.732 0.454 1
1 508 . 16 1 1 A 42 42 GLY HA3 H 42 3.584 3.923 -0.339 1
1 509 . 16 1 1 A 42 42 GLY C C 42 175.329 176.296 -0.967 1
1 510 . 16 1 1 A 42 42 GLY CA C 42 46.944 47.163 -0.219 1
1 511 . 16 1 1 A 42 42 GLY N N 42 109.572 108.837 0.735 1
1 512 . 16 1 1 A 43 43 ALA H H 43 7.949 8.314 -0.365 1
1 513 . 16 1 1 A 43 43 ALA HA H 43 4.240 4.091 0.149 1
1 517 . 16 1 1 A 43 43 ALA C C 43 180.375 179.707 0.668 1
1 518 . 16 1 1 A 43 43 ALA CA C 43 54.897 54.796 0.101 1
1 519 . 16 1 1 A 43 43 ALA CB C 43 17.895 18.396 -0.501 1
1 520 . 16 1 1 A 43 43 ALA N N 43 123.561 124.648 -1.087 1
1 521 . 16 1 1 A 44 44 PHE H H 44 7.337 7.996 -0.659 1
1 522 . 16 1 1 A 44 44 PHE HA H 44 3.957 4.241 -0.284 1
1 530 . 16 1 1 A 44 44 PHE C C 44 177.252 176.855 0.397 1
1 531 . 16 1 1 A 44 44 PHE CA C 44 61.508 61.307 0.201 1
1 532 . 16 1 1 A 44 44 PHE CB C 44 38.993 39.032 -0.039 1
1 538 . 16 1 1 A 44 44 PHE N N 44 118.542 120.208 -1.666 1
1 539 . 16 1 1 A 45 45 LEU H H 45 8.301 7.998 0.303 1
1 540 . 16 1 1 A 45 45 LEU HA H 45 3.741 3.594 0.147 1
1 550 . 16 1 1 A 45 45 LEU C C 45 178.847 178.818 0.029 1
1 551 . 16 1 1 A 45 45 LEU CA C 45 57.643 57.617 0.026 1
1 552 . 16 1 1 A 45 45 LEU CB C 45 41.274 40.690 0.584 1
1 556 . 16 1 1 A 45 45 LEU N N 45 119.345 119.502 -0.157 1
1 557 . 16 1 1 A 46 46 VAL H H 46 8.562 8.139 0.423 1
1 558 . 16 1 1 A 46 46 VAL HA H 46 3.759 3.593 0.166 1
1 566 . 16 1 1 A 46 46 VAL C C 46 177.077 177.112 -0.035 1
1 567 . 16 1 1 A 46 46 VAL CA C 46 67.081 66.935 0.146 1
1 568 . 16 1 1 A 46 46 VAL CB C 46 31.639 31.473 0.166 1
1 571 . 16 1 1 A 46 46 VAL N N 46 118.458 118.923 -0.465 1
1 572 . 16 1 1 A 47 47 GLU H H 47 6.896 7.912 -1.016 1
1 573 . 16 1 1 A 47 47 GLU HA H 47 4.019 3.979 0.040 1
1 578 . 16 1 1 A 47 47 GLU C C 47 179.738 179.011 0.727 1
1 579 . 16 1 1 A 47 47 GLU CA C 47 58.582 59.407 -0.825 1
1 580 . 16 1 1 A 47 47 GLU CB C 47 29.029 29.457 -0.428 1
1 582 . 16 1 1 A 47 47 GLU N N 47 117.916 119.260 -1.344 1
1 583 . 16 1 1 A 48 48 ALA H H 48 8.310 8.037 0.273 1
1 584 . 16 1 1 A 48 48 ALA HA H 48 3.761 4.005 -0.244 1
1 588 . 16 1 1 A 48 48 ALA C C 48 179.636 179.294 0.342 1
1 589 . 16 1 1 A 48 48 ALA CA C 48 55.769 55.033 0.736 1
1 590 . 16 1 1 A 48 48 ALA CB C 48 17.370 18.320 -0.950 1
1 591 . 16 1 1 A 48 48 ALA N N 48 123.600 121.693 1.907 1
1 592 . 16 1 1 A 49 49 LEU H H 49 8.724 8.111 0.613 1
1 593 . 16 1 1 A 49 49 LEU HA H 49 3.924 4.167 -0.243 1
1 603 . 16 1 1 A 49 49 LEU C C 49 178.188 178.921 -0.733 1
1 604 . 16 1 1 A 49 49 LEU CA C 49 57.387 57.183 0.204 1
1 605 . 16 1 1 A 49 49 LEU CB C 49 41.780 41.536 0.244 1
1 609 . 16 1 1 A 49 49 LEU N N 49 119.812 120.050 -0.238 1
1 610 . 16 1 1 A 50 50 LYS H H 50 7.421 7.906 -0.485 1
1 611 . 16 1 1 A 50 50 LYS HA H 50 3.856 4.072 -0.216 1
1 620 . 16 1 1 A 50 50 LYS C C 50 177.592 178.280 -0.688 1
1 621 . 16 1 1 A 50 50 LYS CA C 50 59.345 59.214 0.131 1
1 622 . 16 1 1 A 50 50 LYS CB C 50 32.757 31.962 0.795 1
1 626 . 16 1 1 A 50 50 LYS N N 50 115.568 119.168 -3.600 1
1 627 . 16 1 1 A 51 51 ARG H H 51 7.787 7.114 0.673 1
1 628 . 16 1 1 A 51 51 ARG HA H 51 4.356 4.397 -0.041 1
1 635 . 16 1 1 A 51 51 ARG C C 51 176.424 175.602 0.822 1
1 636 . 16 1 1 A 51 51 ARG CA C 51 55.690 55.384 0.306 1
1 637 . 16 1 1 A 51 51 ARG CB C 51 30.227 30.044 0.183 1
1 640 . 16 1 1 A 51 51 ARG N N 51 115.686 116.452 -0.766 1
1 641 . 16 1 1 A 52 52 HIS H H 52 8.159 7.526 0.633 1
1 642 . 16 1 1 A 52 52 HIS HA H 52 4.512 4.886 -0.374 1
1 646 . 16 1 1 A 52 52 HIS C C 52 175.409 175.397 0.012 1
1 647 . 16 1 1 A 52 52 HIS CA C 52 56.087 54.117 1.970 1
1 648 . 16 1 1 A 52 52 HIS CB C 52 32.904 30.733 2.171 1
1 650 . 16 1 1 A 52 52 HIS N N 52 125.025 119.291 5.734 1
1 651 . 16 1 1 A 53 53 PRO HA H 53 4.341 4.329 0.012 1
1 658 . 16 1 1 A 53 53 PRO CA C 53 65.210 65.462 -0.252 1
1 659 . 16 1 1 A 53 53 PRO CB C 53 31.791 31.814 -0.023 1
1 662 . 16 1 1 A 54 54 ASP H H 54 8.058 8.299 -0.241 1
1 663 . 16 1 1 A 54 54 ASP HA H 54 5.184 4.731 0.453 1
1 666 . 16 1 1 A 54 54 ASP C C 54 176.079 176.705 -0.626 1
1 667 . 16 1 1 A 54 54 ASP CA C 54 52.778 52.417 0.361 1
1 668 . 16 1 1 A 54 54 ASP CB C 54 41.573 39.724 1.849 1
1 669 . 16 1 1 A 55 55 ALA H H 55 7.731 8.467 -0.736 1
1 670 . 16 1 1 A 55 55 ALA HA H 55 3.589 4.189 -0.600 1
1 674 . 16 1 1 A 55 55 ALA C C 55 178.550 179.507 -0.957 1
1 675 . 16 1 1 A 55 55 ALA CA C 55 57.024 54.768 2.256 1
1 676 . 16 1 1 A 55 55 ALA CB C 55 20.320 18.692 1.628 1
1 677 . 16 1 1 A 55 55 ALA N N 55 122.261 126.051 -3.790 1
1 678 . 16 1 1 A 56 56 THR H H 56 8.405 8.092 0.313 1
1 679 . 16 1 1 A 56 56 THR HA H 56 3.804 3.851 -0.047 1
1 684 . 16 1 1 A 56 56 THR C C 56 177.743 176.721 1.022 1
1 685 . 16 1 1 A 56 56 THR CA C 56 67.024 65.796 1.228 1
1 686 . 16 1 1 A 56 56 THR CB C 56 68.257 68.942 -0.685 1
1 688 . 16 1 1 A 56 56 THR N N 56 110.600 114.112 -3.512 1
1 689 . 16 1 1 A 57 57 SER H H 57 7.907 7.710 0.197 1
1 690 . 16 1 1 A 57 57 SER HA H 57 4.251 4.197 0.054 1
1 693 . 16 1 1 A 57 57 SER C C 57 176.547 175.734 0.813 1
1 694 . 16 1 1 A 57 57 SER CA C 57 60.395 60.903 -0.508 1
1 695 . 16 1 1 A 57 57 SER CB C 57 62.766 63.089 -0.323 1
1 696 . 16 1 1 A 57 57 SER N N 57 117.623 116.335 1.288 1
1 697 . 16 1 1 A 58 58 LYS H H 58 8.180 7.726 0.454 1
1 698 . 16 1 1 A 58 58 LYS HA H 58 3.687 4.161 -0.474 1
1 707 . 16 1 1 A 58 58 LYS C C 58 178.074 177.764 0.310 1
1 708 . 16 1 1 A 58 58 LYS CA C 58 58.090 57.725 0.365 1
1 709 . 16 1 1 A 58 58 LYS CB C 58 32.328 32.531 -0.203 1
1 713 . 16 1 1 A 58 58 LYS N N 58 120.772 118.764 2.008 1
1 714 . 16 1 1 A 59 59 ILE H H 59 8.407 8.077 0.330 1
1 715 . 16 1 1 A 59 59 ILE HA H 59 3.336 4.037 -0.701 1
1 725 . 16 1 1 A 59 59 ILE C C 59 176.705 176.990 -0.285 1
1 726 . 16 1 1 A 59 59 ILE CA C 59 64.224 63.495 0.729 1
1 727 . 16 1 1 A 59 59 ILE CB C 59 38.989 38.052 0.937 1
1 731 . 16 1 1 A 59 59 ILE N N 59 119.024 117.650 1.374 1
1 732 . 16 1 1 A 60 60 GLY H H 60 7.360 7.867 -0.507 1
1 733 . 16 1 1 A 60 60 GLY HA2 H 60 3.884 3.920 -0.036 1
1 734 . 16 1 1 A 60 60 GLY HA3 H 60 3.614 3.923 -0.309 1
1 735 . 16 1 1 A 60 60 GLY C C 60 173.964 174.751 -0.787 1
1 736 . 16 1 1 A 60 60 GLY CA C 60 44.586 46.613 -2.027 1
1 737 . 16 1 1 A 60 60 GLY N N 60 106.081 109.408 -3.327 1
1 738 . 16 1 1 A 61 61 PRO HA H 61 4.486 4.401 0.085 1
1 745 . 16 1 1 A 61 61 PRO C C 61 175.603 176.452 -0.849 1
1 746 . 16 1 1 A 61 61 PRO CA C 61 63.473 64.383 -0.910 1
1 747 . 16 1 1 A 61 61 PRO CB C 61 31.981 32.102 -0.121 1
1 750 . 16 1 1 A 62 62 GLY H H 62 7.835 7.250 0.585 1
1 751 . 16 1 1 A 62 62 GLY HA2 H 62 4.378 4.033 0.345 1
1 752 . 16 1 1 A 62 62 GLY HA3 H 62 3.416 4.036 -0.620 1
1 753 . 16 1 1 A 62 62 GLY C C 62 172.596 171.659 0.937 1
1 754 . 16 1 1 A 62 62 GLY CA C 62 44.498 45.154 -0.656 1
1 755 . 16 1 1 A 62 62 GLY N N 62 110.214 105.340 4.874 1
1 756 . 16 1 1 A 63 63 VAL H H 63 8.646 8.609 0.037 1
1 757 . 16 1 1 A 63 63 VAL HA H 63 3.668 4.123 -0.455 1
1 765 . 16 1 1 A 63 63 VAL C C 63 175.808 175.885 -0.077 1
1 766 . 16 1 1 A 63 63 VAL CA C 63 63.681 62.269 1.412 1
1 767 . 16 1 1 A 63 63 VAL CB C 63 32.863 31.809 1.054 1
1 770 . 16 1 1 A 63 63 VAL N N 63 122.735 120.883 1.852 1
1 771 . 16 1 1 A 64 64 ARG H H 64 9.524 9.182 0.342 1
1 772 . 16 1 1 A 64 64 ARG HA H 64 4.254 4.269 -0.015 1
1 779 . 16 1 1 A 64 64 ARG C C 64 175.574 175.899 -0.325 1
1 780 . 16 1 1 A 64 64 ARG CA C 64 57.310 57.482 -0.172 1
1 781 . 16 1 1 A 64 64 ARG CB C 64 31.928 31.294 0.634 1
1 784 . 16 1 1 A 64 64 ARG N N 64 129.782 128.832 0.950 1
1 785 . 16 1 1 A 65 65 ASN H H 65 8.089 7.285 0.804 1
1 786 . 16 1 1 A 65 65 ASN HA H 65 4.662 4.946 -0.284 1
1 791 . 16 1 1 A 65 65 ASN C C 65 171.753 172.097 -0.344 1
1 792 . 16 1 1 A 65 65 ASN CA C 65 53.279 52.207 1.072 1
1 793 . 16 1 1 A 65 65 ASN CB C 65 43.717 40.280 3.437 1
1 794 . 16 1 1 A 65 65 ASN N N 65 114.163 112.384 1.779 1
1 796 . 16 1 1 A 66 66 PHE H H 66 9.064 8.694 0.370 1
1 797 . 16 1 1 A 66 66 PHE HA H 66 5.738 5.797 -0.059 1
1 805 . 16 1 1 A 66 66 PHE C C 66 174.834 174.496 0.338 1
1 806 . 16 1 1 A 66 66 PHE CA C 66 56.578 56.241 0.337 1
1 807 . 16 1 1 A 66 66 PHE CB C 66 41.888 42.487 -0.599 1
1 813 . 16 1 1 A 66 66 PHE N N 66 114.774 116.735 -1.961 1
1 814 . 16 1 1 A 67 67 GLU H H 67 9.328 9.072 0.256 1
1 815 . 16 1 1 A 67 67 GLU HA H 67 5.307 5.130 0.177 1
1 820 . 16 1 1 A 67 67 GLU C C 67 174.999 175.050 -0.051 1
1 821 . 16 1 1 A 67 67 GLU CA C 67 54.003 54.751 -0.748 1
1 822 . 16 1 1 A 67 67 GLU CB C 67 35.678 33.076 2.602 1
1 824 . 16 1 1 A 67 67 GLU N N 67 122.005 122.259 -0.254 1
1 825 . 16 1 1 A 68 68 VAL H H 68 8.598 8.605 -0.007 1
1 826 . 16 1 1 A 68 68 VAL HA H 68 4.859 4.189 0.670 1
1 834 . 16 1 1 A 68 68 VAL C C 68 175.361 175.248 0.113 1
1 835 . 16 1 1 A 68 68 VAL CA C 68 62.102 62.605 -0.503 1
1 836 . 16 1 1 A 68 68 VAL CB C 68 32.865 30.863 2.002 1
1 839 . 16 1 1 A 68 68 VAL N N 68 124.692 127.038 -2.346 1
1 840 . 16 1 1 A 69 69 ARG H H 69 8.896 8.766 0.130 1
1 841 . 16 1 1 A 69 69 ARG HA H 69 4.888 4.860 0.028 1
1 848 . 16 1 1 A 69 69 ARG C C 69 175.469 174.880 0.589 1
1 849 . 16 1 1 A 69 69 ARG CA C 69 54.384 53.955 0.429 1
1 850 . 16 1 1 A 69 69 ARG CB C 69 34.979 33.634 1.345 1
1 853 . 16 1 1 A 69 69 ARG N N 69 123.599 128.926 -5.327 1
1 854 . 16 1 1 A 70 70 SER H H 70 8.758 8.874 -0.116 1
1 855 . 16 1 1 A 70 70 SER HA H 70 4.511 4.804 -0.293 1
1 858 . 16 1 1 A 70 70 SER C C 70 173.488 173.886 -0.398 1
1 859 . 16 1 1 A 70 70 SER CA C 70 59.858 58.053 1.805 1
1 860 . 16 1 1 A 70 70 SER CB C 70 63.927 64.635 -0.708 1
1 861 . 16 1 1 A 70 70 SER N N 70 116.239 117.409 -1.170 1
1 862 . 16 1 1 A 71 71 ALA H H 71 8.456 8.692 -0.236 1
1 863 . 16 1 1 A 71 71 ALA HA H 71 4.688 4.666 0.022 1
1 867 . 16 1 1 A 71 71 ALA C C 71 176.054 176.404 -0.350 1
1 868 . 16 1 1 A 71 71 ALA CA C 71 51.016 53.430 -2.414 1
1 869 . 16 1 1 A 71 71 ALA CB C 71 20.324 21.412 -1.088 1
1 870 . 16 1 1 A 71 71 ALA N N 71 128.999 123.320 5.679 1
1 871 . 16 1 1 A 72 72 ASP H H 72 7.968 8.327 -0.359 1
1 872 . 16 1 1 A 72 72 ASP HA H 72 4.361 4.839 -0.478 1
1 875 . 16 1 1 A 72 72 ASP C C 72 176.444 175.621 0.823 1
1 876 . 16 1 1 A 72 72 ASP CA C 72 54.732 52.775 1.957 1
1 877 . 16 1 1 A 72 72 ASP CB C 72 41.060 43.516 -2.456 1
1 878 . 16 1 1 A 72 72 ASP N N 72 118.176 115.777 2.399 1
1 879 . 16 1 1 A 73 73 TYR H H 73 8.768 8.519 0.249 1
1 880 . 16 1 1 A 73 73 TYR HA H 73 4.309 4.252 0.057 1
1 887 . 16 1 1 A 73 73 TYR C C 73 176.601 177.100 -0.499 1
1 888 . 16 1 1 A 73 73 TYR CA C 73 58.799 58.533 0.266 1
1 889 . 16 1 1 A 73 73 TYR CB C 73 36.239 37.403 -1.164 1
1 894 . 16 1 1 A 73 73 TYR N N 73 117.846 119.787 -1.941 1
1 895 . 16 1 1 A 74 74 GLY H H 74 8.533 8.608 -0.075 1
1 896 . 16 1 1 A 74 74 GLY HA2 H 74 4.069 3.948 0.121 1
1 897 . 16 1 1 A 74 74 GLY HA3 H 74 3.844 3.966 -0.122 1
1 898 . 16 1 1 A 74 74 GLY C C 74 175.060 173.767 1.293 1
1 899 . 16 1 1 A 74 74 GLY CA C 74 46.117 46.482 -0.365 1
1 900 . 16 1 1 A 74 74 GLY N N 74 108.255 113.342 -5.087 1
1 901 . 16 1 1 A 75 75 THR H H 75 7.534 7.424 0.110 1
1 902 . 16 1 1 A 75 75 THR HA H 75 4.687 4.962 -0.275 1
1 907 . 16 1 1 A 75 75 THR C C 75 173.779 173.343 0.436 1
1 908 . 16 1 1 A 75 75 THR CA C 75 61.115 59.264 1.851 1
1 909 . 16 1 1 A 75 75 THR CB C 75 71.585 72.400 -0.815 1
1 911 . 16 1 1 A 75 75 THR N N 75 111.431 110.797 0.634 1
1 912 . 16 1 1 A 76 76 GLN H H 76 8.590 8.574 0.016 1
1 913 . 16 1 1 A 76 76 GLN HA H 76 5.238 5.177 0.061 1
1 920 . 16 1 1 A 76 76 GLN C C 76 173.605 174.722 -1.117 1
1 921 . 16 1 1 A 76 76 GLN CA C 76 54.556 54.551 0.005 1
1 922 . 16 1 1 A 76 76 GLN CB C 76 31.657 31.172 0.485 1
1 924 . 16 1 1 A 76 76 GLN N N 76 117.495 120.427 -2.932 1
1 926 . 16 1 1 A 77 77 CYS H H 77 9.058 8.878 0.180 1
1 927 . 16 1 1 A 77 77 CYS HA H 77 4.780 4.945 -0.165 1
1 930 . 16 1 1 A 77 77 CYS C C 77 172.371 173.522 -1.151 1
1 931 . 16 1 1 A 77 77 CYS CA C 77 56.886 57.896 -1.010 1
1 932 . 16 1 1 A 77 77 CYS CB C 77 31.492 32.372 -0.880 1
1 933 . 16 1 1 A 77 77 CYS N N 77 114.572 119.418 -4.846 1
1 934 . 16 1 1 A 78 78 PHE H H 78 8.872 8.829 0.043 1
1 935 . 16 1 1 A 78 78 PHE HA H 78 5.419 5.256 0.163 1
1 943 . 16 1 1 A 78 78 PHE CA C 78 58.466 56.580 1.886 1
1 944 . 16 1 1 A 78 78 PHE CB C 78 42.360 39.564 2.796 1
1 950 . 16 1 1 A 78 78 PHE N N 78 120.396 120.758 -0.362 1
1 951 . 16 1 1 A 79 79 TRP H H 79 10.003 9.358 0.645 1
1 952 . 16 1 1 A 79 79 TRP HA H 79 4.907 5.588 -0.681 1
1 961 . 16 1 1 A 79 79 TRP CA C 79 57.535 56.628 0.907 1
1 962 . 16 1 1 A 79 79 TRP CB C 79 30.788 30.990 -0.202 1
1 968 . 16 1 1 A 79 79 TRP N N 79 120.993 124.706 -3.713 1
1 970 . 16 1 1 A 80 80 ILE H H 80 9.669 9.440 0.229 1
1 971 . 16 1 1 A 80 80 ILE HA H 80 3.773 4.280 -0.507 1
1 981 . 16 1 1 A 80 80 ILE C C 80 174.675 175.031 -0.356 1
1 982 . 16 1 1 A 80 80 ILE CA C 80 61.505 60.488 1.017 1
1 983 . 16 1 1 A 80 80 ILE CB C 80 40.765 37.849 2.916 1
1 987 . 16 1 1 A 80 80 ILE N N 80 122.205 124.924 -2.719 1
1 988 . 16 1 1 A 81 81 LEU H H 81 8.489 9.033 -0.544 1
1 989 . 16 1 1 A 81 81 LEU HA H 81 5.037 4.716 0.321 1
1 999 . 16 1 1 A 81 81 LEU C C 81 177.301 176.253 1.048 1
1 1000 . 16 1 1 A 81 81 LEU CA C 81 53.483 54.120 -0.637 1
1 1001 . 16 1 1 A 81 81 LEU CB C 81 40.344 41.863 -1.519 1
1 1005 . 16 1 1 A 81 81 LEU N N 81 127.849 128.893 -1.044 1
1 1006 . 16 1 1 A 82 82 ARG H H 82 8.980 8.867 0.113 1
1 1007 . 16 1 1 A 82 82 ARG HA H 82 5.127 4.549 0.578 1
1 1014 . 16 1 1 A 82 82 ARG C C 82 179.527 177.173 2.354 1
1 1015 . 16 1 1 A 82 82 ARG CA C 82 57.410 54.666 2.744 1
1 1016 . 16 1 1 A 82 82 ARG CB C 82 31.995 32.464 -0.469 1
1 1019 . 16 1 1 A 82 82 ARG N N 82 121.829 125.055 -3.226 1
1 1020 . 16 1 1 A 83 83 THR H H 83 8.427 8.778 -0.351 1
1 1021 . 16 1 1 A 83 83 THR HA H 83 3.823 4.072 -0.249 1
1 1026 . 16 1 1 A 83 83 THR C C 83 174.540 175.203 -0.663 1
1 1027 . 16 1 1 A 83 83 THR CA C 83 64.441 64.690 -0.249 1
1 1028 . 16 1 1 A 83 83 THR CB C 83 67.987 68.608 -0.621 1
1 1030 . 16 1 1 A 83 83 THR N N 83 111.631 117.411 -5.780 1
1 1031 . 16 1 1 A 84 84 ASP H H 84 7.431 7.942 -0.511 1
1 1032 . 16 1 1 A 84 84 ASP HA H 84 4.706 4.534 0.172 1
1 1035 . 16 1 1 A 84 84 ASP C C 84 177.092 176.443 0.649 1
1 1036 . 16 1 1 A 84 84 ASP CA C 84 52.983 53.648 -0.665 1
1 1037 . 16 1 1 A 84 84 ASP CB C 84 40.502 41.429 -0.927 1
1 1038 . 16 1 1 A 84 84 ASP N N 84 117.630 118.693 -1.063 1
1 1039 . 16 1 1 A 85 85 GLY H H 85 7.924 7.734 0.190 1
1 1040 . 16 1 1 A 85 85 GLY HA2 H 85 3.741 4.040 -0.299 1
1 1041 . 16 1 1 A 85 85 GLY HA3 H 85 4.364 4.042 0.322 1
1 1042 . 16 1 1 A 85 85 GLY C C 85 174.007 174.487 -0.480 1
1 1043 . 16 1 1 A 85 85 GLY CA C 85 45.370 45.045 0.325 1
1 1044 . 16 1 1 A 85 85 GLY N N 85 108.078 108.733 -0.655 1
1 1045 . 16 1 1 A 86 86 SER H H 86 8.009 7.717 0.292 1
1 1046 . 16 1 1 A 86 86 SER HA H 86 4.563 4.581 -0.018 1
1 1049 . 16 1 1 A 86 86 SER C C 86 172.835 173.948 -1.113 1
1 1050 . 16 1 1 A 86 86 SER CA C 86 58.731 58.845 -0.114 1
1 1051 . 16 1 1 A 86 86 SER CB C 86 64.803 64.095 0.708 1
1 1052 . 16 1 1 A 86 86 SER N N 86 117.029 117.781 -0.752 1
1 1053 . 16 1 1 A 87 87 GLU H H 87 8.593 9.134 -0.541 1
1 1054 . 16 1 1 A 87 87 GLU HA H 87 5.921 5.578 0.343 1
1 1059 . 16 1 1 A 87 87 GLU C C 87 175.873 174.978 0.895 1
1 1060 . 16 1 1 A 87 87 GLU CA C 87 54.343 54.547 -0.204 1
1 1061 . 16 1 1 A 87 87 GLU CB C 87 33.925 33.566 0.359 1
1 1063 . 16 1 1 A 87 87 GLU N N 87 116.585 120.258 -3.673 1
1 1064 . 16 1 1 A 88 88 GLU HA H 88 4.496 4.928 -0.432 1
1 1069 . 16 1 1 A 88 88 GLU CA C 88 55.840 54.319 1.521 1
1 1070 . 16 1 1 A 88 88 GLU CB C 88 34.310 34.252 0.058 1
1 1072 . 16 1 1 A 89 89 ARG H H 89 8.013 8.390 -0.377 1
1 1073 . 16 1 1 A 89 89 ARG HA H 89 3.184 4.879 -1.695 1
1 1080 . 16 1 1 A 89 89 ARG CA C 89 56.576 54.172 2.404 1
1 1081 . 16 1 1 A 89 89 ARG CB C 89 30.462 32.759 -2.297 1
1 1084 . 16 1 1 A 89 89 ARG N N 89 127.945 118.381 9.564 1
1 1085 . 16 1 1 A 90 90 PHE HA H 90 5.021 5.466 -0.445 1
1 1093 . 16 1 1 A 90 90 PHE CA C 90 55.089 55.258 -0.169 1
1 1094 . 16 1 1 A 90 90 PHE CB C 90 40.446 41.106 -0.660 1
1 1100 . 16 1 1 A 91 91 SER HA H 91 4.639 4.351 0.288 1
1 1103 . 16 1 1 A 91 91 SER CA C 91 56.242 57.460 -1.218 1
1 1104 . 16 1 1 A 91 91 SER CB C 91 62.621 60.693 1.928 1
1 1105 . 16 1 1 A 92 92 TYR HA H 92 4.268 4.405 -0.137 1
1 1112 . 16 1 1 A 92 92 TYR C C 92 176.450 177.201 -0.751 1
1 1113 . 16 1 1 A 92 92 TYR CA C 92 59.575 61.163 -1.588 1
1 1114 . 16 1 1 A 92 92 TYR CB C 92 37.283 37.676 -0.393 1
1 1119 . 16 1 1 A 93 93 LYS H H 93 7.405 7.800 -0.395 1
1 1120 . 16 1 1 A 93 93 LYS HA H 93 3.749 3.975 -0.226 1
1 1129 . 16 1 1 A 93 93 LYS C C 93 177.715 176.946 0.769 1
1 1130 . 16 1 1 A 93 93 LYS CA C 93 58.446 57.952 0.494 1
1 1131 . 16 1 1 A 93 93 LYS CB C 93 31.822 31.110 0.712 1
1 1135 . 16 1 1 A 93 93 LYS N N 93 120.689 118.210 2.479 1
1 1136 . 16 1 1 A 94 94 LYS H H 94 7.405 7.656 -0.251 1
1 1137 . 16 1 1 A 94 94 LYS HA H 94 4.079 4.546 -0.467 1
1 1146 . 16 1 1 A 94 94 LYS C C 94 176.709 176.354 0.355 1
1 1147 . 16 1 1 A 94 94 LYS CA C 94 56.479 55.309 1.170 1
1 1148 . 16 1 1 A 94 94 LYS CB C 94 32.760 31.954 0.806 1
1 1152 . 16 1 1 A 94 94 LYS N N 94 115.712 117.169 -1.457 1
1 1153 . 16 1 1 A 95 95 CYS H H 95 7.537 7.850 -0.313 1
1 1154 . 16 1 1 A 95 95 CYS HA H 95 3.937 4.755 -0.818 1
1 1157 . 16 1 1 A 95 95 CYS C C 95 173.487 175.321 -1.834 1
1 1158 . 16 1 1 A 95 95 CYS CA C 95 61.795 57.952 3.843 1
1 1159 . 16 1 1 A 95 95 CYS CB C 95 27.546 28.127 -0.581 1
1 1160 . 16 1 1 A 95 95 CYS N N 95 115.586 120.966 -5.380 1
1 1161 . 16 1 1 A 96 96 VAL HA H 96 4.154 3.997 0.157 1
1 1169 . 16 1 1 A 96 96 VAL C C 96 175.216 175.306 -0.090 1
1 1170 . 16 1 1 A 96 96 VAL CA C 96 61.916 63.769 -1.853 1
1 1171 . 16 1 1 A 96 96 VAL CB C 96 31.695 32.020 -0.325 1
1 1174 . 16 1 1 A 97 97 LEU H H 97 8.002 7.760 0.242 1
1 1175 . 16 1 1 A 97 97 LEU HA H 97 4.316 4.953 -0.637 1
1 1185 . 16 1 1 A 97 97 LEU C C 97 176.168 175.388 0.780 1
1 1186 . 16 1 1 A 97 97 LEU CA C 97 54.770 53.631 1.139 1
1 1187 . 16 1 1 A 97 97 LEU CB C 97 42.558 46.967 -4.409 1
1 1191 . 16 1 1 A 97 97 LEU N N 97 124.364 118.871 5.493 1
1 1192 . 16 1 1 A 98 98 GLU H H 98 8.345 8.650 -0.305 1
1 1193 . 16 1 1 A 98 98 GLU HA H 98 4.301 4.990 -0.689 1
1 1198 . 16 1 1 A 98 98 GLU C C 98 175.732 176.288 -0.556 1
1 1199 . 16 1 1 A 98 98 GLU CA C 98 55.988 55.730 0.258 1
1 1200 . 16 1 1 A 98 98 GLU CB C 98 30.989 31.009 -0.020 1
1 1 . 17 1 1 A 2 2 ALA HA H 2 4.102 4.263 -0.161 1
1 5 . 17 1 1 A 2 2 ALA CA C 2 51.775 53.541 -1.766 1
1 6 . 17 1 1 A 2 2 ALA CB C 2 19.665 19.637 0.028 1
1 7 . 17 1 1 A 3 3 LYS HA H 3 4.329 4.646 -0.317 1
1 15 . 17 1 1 A 3 3 LYS C C 3 176.086 176.365 -0.279 1
1 16 . 17 1 1 A 3 3 LYS CA C 3 56.354 55.114 1.240 1
1 17 . 17 1 1 A 3 3 LYS CB C 3 33.325 33.738 -0.413 1
1 21 . 17 1 1 A 4 4 ALA H H 4 8.515 8.536 -0.021 1
1 22 . 17 1 1 A 4 4 ALA HA H 4 4.356 4.348 0.008 1
1 26 . 17 1 1 A 4 4 ALA C C 4 177.307 177.725 -0.418 1
1 27 . 17 1 1 A 4 4 ALA CA C 4 52.316 51.931 0.385 1
1 28 . 17 1 1 A 4 4 ALA CB C 4 19.421 19.209 0.212 1
1 29 . 17 1 1 A 4 4 ALA N N 4 126.866 122.794 4.072 1
1 30 . 17 1 1 A 5 5 GLN H H 5 8.521 8.576 -0.055 1
1 31 . 17 1 1 A 5 5 GLN HA H 5 4.652 4.529 0.123 1
1 38 . 17 1 1 A 5 5 GLN C C 5 173.576 174.059 -0.483 1
1 39 . 17 1 1 A 5 5 GLN CA C 5 53.470 54.393 -0.923 1
1 40 . 17 1 1 A 5 5 GLN CB C 5 29.457 27.829 1.628 1
1 42 . 17 1 1 A 5 5 GLN N N 5 122.182 120.602 1.580 1
1 44 . 17 1 1 A 6 6 PRO HA H 6 4.587 4.516 0.071 1
1 51 . 17 1 1 A 6 6 PRO C C 6 176.481 176.626 -0.145 1
1 52 . 17 1 1 A 6 6 PRO CA C 6 63.028 63.114 -0.086 1
1 53 . 17 1 1 A 6 6 PRO CB C 6 32.905 32.045 0.860 1
1 56 . 17 1 1 A 7 7 ILE H H 7 8.581 8.279 0.302 1
1 57 . 17 1 1 A 7 7 ILE HA H 7 4.245 4.231 0.014 1
1 67 . 17 1 1 A 7 7 ILE C C 7 174.129 174.658 -0.529 1
1 68 . 17 1 1 A 7 7 ILE CA C 7 60.613 60.836 -0.223 1
1 69 . 17 1 1 A 7 7 ILE CB C 7 40.266 36.872 3.394 1
1 73 . 17 1 1 A 7 7 ILE N N 7 120.418 123.718 -3.300 1
1 74 . 17 1 1 A 8 8 GLU H H 8 8.572 8.502 0.070 1
1 75 . 17 1 1 A 8 8 GLU HA H 8 5.363 5.390 -0.027 1
1 80 . 17 1 1 A 8 8 GLU C C 8 175.806 175.653 0.153 1
1 81 . 17 1 1 A 8 8 GLU CA C 8 54.749 55.095 -0.346 1
1 82 . 17 1 1 A 8 8 GLU CB C 8 31.505 31.166 0.339 1
1 84 . 17 1 1 A 8 8 GLU N N 8 128.440 128.722 -0.282 1
1 85 . 17 1 1 A 9 9 ILE H H 9 8.591 8.977 -0.386 1
1 86 . 17 1 1 A 9 9 ILE HA H 9 4.111 4.524 -0.413 1
1 96 . 17 1 1 A 9 9 ILE C C 9 174.977 176.198 -1.221 1
1 97 . 17 1 1 A 9 9 ILE CA C 9 60.967 60.253 0.714 1
1 98 . 17 1 1 A 9 9 ILE CB C 9 41.559 39.844 1.715 1
1 102 . 17 1 1 A 9 9 ILE N N 9 123.957 128.123 -4.166 1
1 103 . 17 1 1 A 10 10 ALA H H 10 9.398 9.172 0.226 1
1 104 . 17 1 1 A 10 10 ALA HA H 10 4.072 4.088 -0.016 1
1 108 . 17 1 1 A 10 10 ALA C C 10 177.026 177.255 -0.229 1
1 109 . 17 1 1 A 10 10 ALA CA C 10 52.646 53.407 -0.761 1
1 110 . 17 1 1 A 10 10 ALA CB C 10 18.121 18.036 0.085 1
1 111 . 17 1 1 A 10 10 ALA N N 10 130.074 131.955 -1.881 1
1 112 . 17 1 1 A 11 11 GLY H H 11 8.958 8.687 0.271 1
1 113 . 17 1 1 A 11 11 GLY HA2 H 11 4.046 3.705 0.341 1
1 114 . 17 1 1 A 11 11 GLY HA3 H 11 3.570 3.771 -0.201 1
1 115 . 17 1 1 A 11 11 GLY C C 11 174.139 173.815 0.324 1
1 116 . 17 1 1 A 11 11 GLY CA C 11 45.467 45.558 -0.091 1
1 117 . 17 1 1 A 11 11 GLY N N 11 105.460 103.263 2.197 1
1 118 . 17 1 1 A 12 12 HIS H H 12 8.189 7.797 0.392 1
1 119 . 17 1 1 A 12 12 HIS HA H 12 4.325 4.661 -0.336 1
1 124 . 17 1 1 A 12 12 HIS C C 12 173.060 173.723 -0.663 1
1 125 . 17 1 1 A 12 12 HIS CA C 12 54.628 54.442 0.186 1
1 126 . 17 1 1 A 12 12 HIS CB C 12 30.432 31.502 -1.070 1
1 129 . 17 1 1 A 12 12 HIS N N 12 120.216 117.208 3.008 1
1 130 . 17 1 1 A 13 13 GLU H H 13 8.338 8.556 -0.218 1
1 131 . 17 1 1 A 13 13 GLU HA H 13 4.659 4.565 0.094 1
1 136 . 17 1 1 A 13 13 GLU C C 13 175.231 175.500 -0.269 1
1 137 . 17 1 1 A 13 13 GLU CA C 13 55.147 55.680 -0.533 1
1 138 . 17 1 1 A 13 13 GLU CB C 13 31.218 30.433 0.785 1
1 140 . 17 1 1 A 13 13 GLU N N 13 122.925 124.237 -1.312 1
1 141 . 17 1 1 A 14 14 PHE H H 14 9.117 8.947 0.170 1
1 142 . 17 1 1 A 14 14 PHE HA H 14 4.941 4.892 0.049 1
1 150 . 17 1 1 A 14 14 PHE C C 14 175.179 175.986 -0.807 1
1 151 . 17 1 1 A 14 14 PHE CA C 14 56.302 56.729 -0.427 1
1 152 . 17 1 1 A 14 14 PHE CB C 14 41.499 42.328 -0.829 1
1 158 . 17 1 1 A 14 14 PHE N N 14 123.141 119.974 3.167 1
1 159 . 17 1 1 A 15 15 ALA H H 15 9.393 8.973 0.420 1
1 160 . 17 1 1 A 15 15 ALA HA H 15 4.130 4.296 -0.166 1
1 164 . 17 1 1 A 15 15 ALA C C 15 177.675 177.568 0.107 1
1 165 . 17 1 1 A 15 15 ALA CA C 15 54.880 54.392 0.488 1
1 166 . 17 1 1 A 15 15 ALA CB C 15 18.986 19.747 -0.761 1
1 167 . 17 1 1 A 15 15 ALA N N 15 126.102 124.459 1.643 1
1 168 . 17 1 1 A 16 16 ARG H H 16 7.756 7.674 0.082 1
1 169 . 17 1 1 A 16 16 ARG HA H 16 4.809 4.720 0.089 1
1 176 . 17 1 1 A 16 16 ARG C C 16 177.344 176.128 1.216 1
1 177 . 17 1 1 A 16 16 ARG CA C 16 53.409 54.280 -0.871 1
1 178 . 17 1 1 A 16 16 ARG CB C 16 33.323 33.167 0.156 1
1 181 . 17 1 1 A 16 16 ARG N N 16 110.189 114.246 -4.057 1
1 182 . 17 1 1 A 17 17 LYS H H 17 9.303 8.804 0.499 1
1 183 . 17 1 1 A 17 17 LYS HA H 17 3.742 3.932 -0.190 1
1 192 . 17 1 1 A 17 17 LYS C C 17 178.667 177.882 0.785 1
1 193 . 17 1 1 A 17 17 LYS CA C 17 60.663 59.857 0.806 1
1 194 . 17 1 1 A 17 17 LYS CB C 17 32.005 32.143 -0.138 1
1 198 . 17 1 1 A 17 17 LYS N N 17 125.242 120.456 4.786 1
1 199 . 17 1 1 A 18 18 ALA H H 18 8.777 8.084 0.693 1
1 200 . 17 1 1 A 18 18 ALA HA H 18 4.046 4.121 -0.075 1
1 204 . 17 1 1 A 18 18 ALA C C 18 180.134 179.445 0.689 1
1 205 . 17 1 1 A 18 18 ALA CA C 18 55.181 54.386 0.795 1
1 206 . 17 1 1 A 18 18 ALA CB C 18 18.633 18.609 0.024 1
1 207 . 17 1 1 A 18 18 ALA N N 18 118.670 120.059 -1.389 1
1 208 . 17 1 1 A 19 19 ASP H H 19 7.454 8.116 -0.662 1
1 209 . 17 1 1 A 19 19 ASP HA H 19 4.586 4.398 0.188 1
1 212 . 17 1 1 A 19 19 ASP C C 19 178.469 178.066 0.403 1
1 213 . 17 1 1 A 19 19 ASP CA C 19 57.082 56.604 0.478 1
1 214 . 17 1 1 A 19 19 ASP CB C 19 41.304 41.314 -0.010 1
1 215 . 17 1 1 A 19 19 ASP N N 19 117.020 119.242 -2.222 1
1 216 . 17 1 1 A 20 20 ALA H H 20 7.123 7.185 -0.062 1
1 217 . 17 1 1 A 20 20 ALA HA H 20 2.604 2.681 -0.077 1
1 221 . 17 1 1 A 20 20 ALA C C 20 178.706 179.836 -1.130 1
1 222 . 17 1 1 A 20 20 ALA CA C 20 54.453 54.563 -0.110 1
1 223 . 17 1 1 A 20 20 ALA CB C 20 18.199 18.173 0.026 1
1 224 . 17 1 1 A 20 20 ALA N N 20 124.691 121.603 3.088 1
1 225 . 17 1 1 A 21 21 LEU H H 21 7.871 7.818 0.053 1
1 226 . 17 1 1 A 21 21 LEU HA H 21 4.008 4.147 -0.139 1
1 236 . 17 1 1 A 21 21 LEU C C 21 179.041 179.124 -0.083 1
1 237 . 17 1 1 A 21 21 LEU CA C 21 58.398 58.082 0.316 1
1 238 . 17 1 1 A 21 21 LEU CB C 21 41.382 41.111 0.271 1
1 242 . 17 1 1 A 21 21 LEU N N 21 116.889 118.444 -1.555 1
1 243 . 17 1 1 A 22 22 ALA H H 22 7.972 8.476 -0.504 1
1 244 . 17 1 1 A 22 22 ALA HA H 22 4.158 4.092 0.066 1
1 248 . 17 1 1 A 22 22 ALA C C 22 179.288 179.205 0.083 1
1 249 . 17 1 1 A 22 22 ALA CA C 22 55.180 55.130 0.050 1
1 250 . 17 1 1 A 22 22 ALA CB C 22 18.013 18.662 -0.649 1
1 251 . 17 1 1 A 22 22 ALA N N 22 121.219 122.176 -0.957 1
1 252 . 17 1 1 A 23 23 PHE H H 23 7.546 8.234 -0.688 1
1 253 . 17 1 1 A 23 23 PHE HA H 23 4.081 3.914 0.167 1
1 261 . 17 1 1 A 23 23 PHE C C 23 178.515 177.029 1.486 1
1 262 . 17 1 1 A 23 23 PHE CA C 23 61.520 61.652 -0.132 1
1 263 . 17 1 1 A 23 23 PHE CB C 23 40.296 39.108 1.188 1
1 269 . 17 1 1 A 23 23 PHE N N 23 119.034 119.626 -0.592 1
1 270 . 17 1 1 A 24 24 MET H H 24 7.595 8.140 -0.545 1
1 271 . 17 1 1 A 24 24 MET HA H 24 3.768 3.751 0.017 1
1 279 . 17 1 1 A 24 24 MET C C 24 176.037 178.429 -2.392 1
1 280 . 17 1 1 A 24 24 MET CA C 24 59.901 59.101 0.800 1
1 281 . 17 1 1 A 24 24 MET CB C 24 34.008 32.679 1.329 1
1 284 . 17 1 1 A 24 24 MET N N 24 118.377 117.264 1.113 1
1 285 . 17 1 1 A 25 25 LYS H H 25 8.131 7.975 0.156 1
1 286 . 17 1 1 A 25 25 LYS HA H 25 3.747 4.103 -0.356 1
1 295 . 17 1 1 A 25 25 LYS C C 25 178.865 179.028 -0.163 1
1 296 . 17 1 1 A 25 25 LYS CA C 25 59.994 59.071 0.923 1
1 297 . 17 1 1 A 25 25 LYS CB C 25 32.365 32.172 0.193 1
1 301 . 17 1 1 A 25 25 LYS N N 25 121.901 119.874 2.027 1
1 302 . 17 1 1 A 26 26 VAL H H 26 7.986 8.206 -0.220 1
1 303 . 17 1 1 A 26 26 VAL HA H 26 3.515 3.500 0.015 1
1 311 . 17 1 1 A 26 26 VAL C C 26 178.654 177.847 0.807 1
1 312 . 17 1 1 A 26 26 VAL CA C 26 66.337 66.340 -0.003 1
1 313 . 17 1 1 A 26 26 VAL CB C 26 31.302 31.680 -0.378 1
1 316 . 17 1 1 A 26 26 VAL N N 26 119.393 120.175 -0.782 1
1 317 . 17 1 1 A 27 27 MET H H 27 7.232 8.048 -0.816 1
1 318 . 17 1 1 A 27 27 MET HA H 27 3.586 4.057 -0.471 1
1 326 . 17 1 1 A 27 27 MET C C 27 177.564 178.460 -0.896 1
1 327 . 17 1 1 A 27 27 MET CA C 27 59.113 58.150 0.963 1
1 328 . 17 1 1 A 27 27 MET CB C 27 34.025 32.221 1.804 1
1 331 . 17 1 1 A 27 27 MET N N 27 119.647 119.045 0.602 1
1 332 . 17 1 1 A 28 28 LEU H H 28 8.201 8.047 0.154 1
1 333 . 17 1 1 A 28 28 LEU HA H 28 3.733 4.053 -0.320 1
1 343 . 17 1 1 A 28 28 LEU C C 28 178.075 178.427 -0.352 1
1 344 . 17 1 1 A 28 28 LEU CA C 28 57.980 58.617 -0.637 1
1 345 . 17 1 1 A 28 28 LEU CB C 28 41.151 41.483 -0.332 1
1 349 . 17 1 1 A 28 28 LEU N N 28 118.420 123.725 -5.305 1
1 350 . 17 1 1 A 29 29 ASN H H 29 7.579 8.017 -0.438 1
1 351 . 17 1 1 A 29 29 ASN HA H 29 4.512 4.976 -0.464 1
1 356 . 17 1 1 A 29 29 ASN C C 29 176.087 177.861 -1.774 1
1 357 . 17 1 1 A 29 29 ASN CA C 29 54.286 55.599 -1.313 1
1 358 . 17 1 1 A 29 29 ASN CB C 29 38.984 38.206 0.778 1
1 359 . 17 1 1 A 29 29 ASN N N 29 112.254 116.553 -4.299 1
1 361 . 17 1 1 A 30 30 ARG H H 30 7.621 7.789 -0.168 1
1 362 . 17 1 1 A 30 30 ARG HA H 30 4.169 3.906 0.263 1
1 369 . 17 1 1 A 30 30 ARG C C 30 175.926 175.993 -0.067 1
1 370 . 17 1 1 A 30 30 ARG CA C 30 57.482 58.578 -1.096 1
1 371 . 17 1 1 A 30 30 ARG CB C 30 30.404 30.185 0.219 1
1 374 . 17 1 1 A 30 30 ARG N N 30 118.878 119.594 -0.716 1
1 375 . 17 1 1 A 31 31 TYR H H 31 7.287 7.724 -0.437 1
1 376 . 17 1 1 A 31 31 TYR HA H 31 4.690 4.822 -0.132 1
1 383 . 17 1 1 A 31 31 TYR C C 31 174.348 175.806 -1.458 1
1 384 . 17 1 1 A 31 31 TYR CA C 31 58.118 57.888 0.230 1
1 385 . 17 1 1 A 31 31 TYR CB C 31 43.045 40.555 2.490 1
1 390 . 17 1 1 A 31 31 TYR N N 31 118.414 117.106 1.308 1
1 391 . 17 1 1 A 32 32 ARG H H 32 9.314 8.606 0.708 1
1 392 . 17 1 1 A 32 32 ARG HA H 32 4.913 4.780 0.133 1
1 399 . 17 1 1 A 32 32 ARG C C 32 173.525 175.826 -2.301 1
1 400 . 17 1 1 A 32 32 ARG CA C 32 52.775 53.419 -0.644 1
1 401 . 17 1 1 A 32 32 ARG CB C 32 30.292 30.883 -0.591 1
1 404 . 17 1 1 A 32 32 ARG N N 32 121.876 121.532 0.344 1
1 405 . 17 1 1 A 33 33 PRO HA H 33 3.870 4.717 -0.847 1
1 412 . 17 1 1 A 33 33 PRO C C 33 177.517 176.849 0.668 1
1 413 . 17 1 1 A 33 33 PRO CA C 33 64.332 63.909 0.423 1
1 414 . 17 1 1 A 33 33 PRO CB C 33 31.655 31.353 0.302 1
1 417 . 17 1 1 A 34 34 GLY H H 34 9.584 8.301 1.283 1
1 418 . 17 1 1 A 34 34 GLY HA2 H 34 4.422 4.064 0.358 1
1 419 . 17 1 1 A 34 34 GLY HA3 H 34 3.725 4.077 -0.352 1
1 420 . 17 1 1 A 34 34 GLY C C 34 174.605 173.156 1.449 1
1 421 . 17 1 1 A 34 34 GLY CA C 34 44.745 45.447 -0.702 1
1 422 . 17 1 1 A 34 34 GLY N N 34 115.669 106.996 8.673 1
1 423 . 17 1 1 A 35 35 ASP H H 35 8.252 7.826 0.426 1
1 424 . 17 1 1 A 35 35 ASP HA H 35 4.691 5.067 -0.376 1
1 427 . 17 1 1 A 35 35 ASP C C 35 175.279 175.194 0.085 1
1 428 . 17 1 1 A 35 35 ASP CA C 35 55.195 53.275 1.920 1
1 429 . 17 1 1 A 35 35 ASP CB C 35 42.301 43.128 -0.827 1
1 430 . 17 1 1 A 35 35 ASP N N 35 122.076 119.665 2.411 1
1 431 . 17 1 1 A 36 36 ILE H H 36 8.194 8.702 -0.508 1
1 432 . 17 1 1 A 36 36 ILE HA H 36 4.546 4.621 -0.075 1
1 442 . 17 1 1 A 36 36 ILE C C 36 176.709 176.232 0.477 1
1 443 . 17 1 1 A 36 36 ILE CA C 36 59.572 59.973 -0.401 1
1 444 . 17 1 1 A 36 36 ILE CB C 36 37.870 40.033 -2.163 1
1 448 . 17 1 1 A 36 36 ILE N N 36 120.260 120.816 -0.556 1
1 449 . 17 1 1 A 37 37 VAL H H 37 7.963 8.833 -0.870 1
1 450 . 17 1 1 A 37 37 VAL HA H 37 3.671 3.286 0.385 1
1 458 . 17 1 1 A 37 37 VAL C C 37 176.530 175.830 0.700 1
1 459 . 17 1 1 A 37 37 VAL CA C 37 62.969 62.788 0.181 1
1 460 . 17 1 1 A 37 37 VAL CB C 37 32.201 32.035 0.166 1
1 463 . 17 1 1 A 37 37 VAL N N 37 126.533 127.339 -0.806 1
1 464 . 17 1 1 A 38 38 SER H H 38 8.852 8.635 0.217 1
1 465 . 17 1 1 A 38 38 SER HA H 38 4.600 4.618 -0.018 1
1 468 . 17 1 1 A 38 38 SER C C 38 174.950 175.487 -0.537 1
1 469 . 17 1 1 A 38 38 SER CA C 38 58.147 58.657 -0.510 1
1 470 . 17 1 1 A 38 38 SER CB C 38 65.224 64.237 0.987 1
1 471 . 17 1 1 A 38 38 SER N N 38 122.752 121.435 1.317 1
1 472 . 17 1 1 A 39 39 THR H H 39 8.870 8.853 0.017 1
1 473 . 17 1 1 A 39 39 THR HA H 39 4.153 4.044 0.109 1
1 478 . 17 1 1 A 39 39 THR C C 39 177.855 176.089 1.766 1
1 479 . 17 1 1 A 39 39 THR CA C 39 66.299 66.903 -0.604 1
1 480 . 17 1 1 A 39 39 THR CB C 39 68.559 68.936 -0.377 1
1 482 . 17 1 1 A 39 39 THR N N 39 116.391 120.768 -4.377 1
1 483 . 17 1 1 A 40 40 VAL H H 40 8.018 8.181 -0.163 1
1 484 . 17 1 1 A 40 40 VAL HA H 40 4.028 3.668 0.360 1
1 492 . 17 1 1 A 40 40 VAL C C 40 178.339 177.694 0.645 1
1 493 . 17 1 1 A 40 40 VAL CA C 40 65.776 66.800 -1.024 1
1 494 . 17 1 1 A 40 40 VAL CB C 40 32.139 31.652 0.487 1
1 497 . 17 1 1 A 40 40 VAL N N 40 121.035 121.797 -0.762 1
1 498 . 17 1 1 A 41 41 ASP H H 41 7.610 8.791 -1.181 1
1 499 . 17 1 1 A 41 41 ASP HA H 41 4.570 4.393 0.177 1
1 502 . 17 1 1 A 41 41 ASP C C 41 178.746 179.970 -1.224 1
1 503 . 17 1 1 A 41 41 ASP CA C 41 57.492 57.197 0.295 1
1 504 . 17 1 1 A 41 41 ASP CB C 41 39.740 40.121 -0.381 1
1 505 . 17 1 1 A 41 41 ASP N N 41 124.108 119.797 4.311 1
1 506 . 17 1 1 A 42 42 GLY H H 42 9.363 8.672 0.691 1
1 507 . 17 1 1 A 42 42 GLY HA2 H 42 4.186 3.555 0.631 1
1 508 . 17 1 1 A 42 42 GLY HA3 H 42 3.584 3.930 -0.346 1
1 509 . 17 1 1 A 42 42 GLY C C 42 175.329 176.537 -1.208 1
1 510 . 17 1 1 A 42 42 GLY CA C 42 46.944 47.072 -0.128 1
1 511 . 17 1 1 A 42 42 GLY N N 42 109.572 109.308 0.264 1
1 512 . 17 1 1 A 43 43 ALA H H 43 7.949 8.331 -0.382 1
1 513 . 17 1 1 A 43 43 ALA HA H 43 4.240 4.079 0.161 1
1 517 . 17 1 1 A 43 43 ALA C C 43 180.375 179.662 0.713 1
1 518 . 17 1 1 A 43 43 ALA CA C 43 54.897 54.795 0.102 1
1 519 . 17 1 1 A 43 43 ALA CB C 43 17.895 18.388 -0.493 1
1 520 . 17 1 1 A 43 43 ALA N N 43 123.561 124.676 -1.115 1
1 521 . 17 1 1 A 44 44 PHE H H 44 7.337 8.164 -0.827 1
1 522 . 17 1 1 A 44 44 PHE HA H 44 3.957 4.249 -0.292 1
1 530 . 17 1 1 A 44 44 PHE C C 44 177.252 176.754 0.498 1
1 531 . 17 1 1 A 44 44 PHE CA C 44 61.508 61.463 0.045 1
1 532 . 17 1 1 A 44 44 PHE CB C 44 38.993 39.360 -0.367 1
1 538 . 17 1 1 A 44 44 PHE N N 44 118.542 120.307 -1.765 1
1 539 . 17 1 1 A 45 45 LEU H H 45 8.301 7.973 0.328 1
1 540 . 17 1 1 A 45 45 LEU HA H 45 3.741 3.586 0.155 1
1 550 . 17 1 1 A 45 45 LEU C C 45 178.847 178.764 0.083 1
1 551 . 17 1 1 A 45 45 LEU CA C 45 57.643 57.784 -0.141 1
1 552 . 17 1 1 A 45 45 LEU CB C 45 41.274 41.105 0.169 1
1 556 . 17 1 1 A 45 45 LEU N N 45 119.345 119.751 -0.406 1
1 557 . 17 1 1 A 46 46 VAL H H 46 8.562 8.096 0.466 1
1 558 . 17 1 1 A 46 46 VAL HA H 46 3.759 3.554 0.205 1
1 566 . 17 1 1 A 46 46 VAL C C 46 177.077 177.083 -0.006 1
1 567 . 17 1 1 A 46 46 VAL CA C 46 67.081 67.135 -0.054 1
1 568 . 17 1 1 A 46 46 VAL CB C 46 31.639 31.564 0.075 1
1 571 . 17 1 1 A 46 46 VAL N N 46 118.458 118.634 -0.176 1
1 572 . 17 1 1 A 47 47 GLU H H 47 6.896 8.084 -1.188 1
1 573 . 17 1 1 A 47 47 GLU HA H 47 4.019 3.988 0.031 1
1 578 . 17 1 1 A 47 47 GLU C C 47 179.738 179.247 0.491 1
1 579 . 17 1 1 A 47 47 GLU CA C 47 58.582 59.281 -0.699 1
1 580 . 17 1 1 A 47 47 GLU CB C 47 29.029 29.102 -0.073 1
1 582 . 17 1 1 A 47 47 GLU N N 47 117.916 119.127 -1.211 1
1 583 . 17 1 1 A 48 48 ALA H H 48 8.310 8.047 0.263 1
1 584 . 17 1 1 A 48 48 ALA HA H 48 3.761 3.972 -0.211 1
1 588 . 17 1 1 A 48 48 ALA C C 48 179.636 180.050 -0.414 1
1 589 . 17 1 1 A 48 48 ALA CA C 48 55.769 55.050 0.719 1
1 590 . 17 1 1 A 48 48 ALA CB C 48 17.370 17.705 -0.335 1
1 591 . 17 1 1 A 48 48 ALA N N 48 123.600 122.521 1.079 1
1 592 . 17 1 1 A 49 49 LEU H H 49 8.724 8.061 0.663 1
1 593 . 17 1 1 A 49 49 LEU HA H 49 3.924 3.958 -0.034 1
1 603 . 17 1 1 A 49 49 LEU C C 49 178.188 178.834 -0.646 1
1 604 . 17 1 1 A 49 49 LEU CA C 49 57.387 57.391 -0.004 1
1 605 . 17 1 1 A 49 49 LEU CB C 49 41.780 41.613 0.167 1
1 609 . 17 1 1 A 49 49 LEU N N 49 119.812 119.902 -0.090 1
1 610 . 17 1 1 A 50 50 LYS H H 50 7.421 7.993 -0.572 1
1 611 . 17 1 1 A 50 50 LYS HA H 50 3.856 4.206 -0.350 1
1 620 . 17 1 1 A 50 50 LYS C C 50 177.592 178.063 -0.471 1
1 621 . 17 1 1 A 50 50 LYS CA C 50 59.345 58.716 0.629 1
1 622 . 17 1 1 A 50 50 LYS CB C 50 32.757 32.111 0.646 1
1 626 . 17 1 1 A 50 50 LYS N N 50 115.568 118.733 -3.165 1
1 627 . 17 1 1 A 51 51 ARG H H 51 7.787 7.423 0.364 1
1 628 . 17 1 1 A 51 51 ARG HA H 51 4.356 4.164 0.192 1
1 635 . 17 1 1 A 51 51 ARG C C 51 176.424 175.140 1.284 1
1 636 . 17 1 1 A 51 51 ARG CA C 51 55.690 57.088 -1.398 1
1 637 . 17 1 1 A 51 51 ARG CB C 51 30.227 30.161 0.066 1
1 640 . 17 1 1 A 51 51 ARG N N 51 115.686 116.554 -0.868 1
1 641 . 17 1 1 A 52 52 HIS H H 52 8.159 7.764 0.395 1
1 642 . 17 1 1 A 52 52 HIS HA H 52 4.512 4.877 -0.365 1
1 646 . 17 1 1 A 52 52 HIS C C 52 175.409 174.900 0.509 1
1 647 . 17 1 1 A 52 52 HIS CA C 52 56.087 53.714 2.373 1
1 648 . 17 1 1 A 52 52 HIS CB C 52 32.904 31.063 1.841 1
1 650 . 17 1 1 A 52 52 HIS N N 52 125.025 117.141 7.884 1
1 651 . 17 1 1 A 53 53 PRO HA H 53 4.341 4.299 0.042 1
1 658 . 17 1 1 A 53 53 PRO CA C 53 65.210 64.891 0.319 1
1 659 . 17 1 1 A 53 53 PRO CB C 53 31.791 31.852 -0.061 1
1 662 . 17 1 1 A 54 54 ASP H H 54 8.058 8.594 -0.536 1
1 663 . 17 1 1 A 54 54 ASP HA H 54 5.184 4.580 0.604 1
1 666 . 17 1 1 A 54 54 ASP C C 54 176.079 177.326 -1.247 1
1 667 . 17 1 1 A 54 54 ASP CA C 54 52.778 54.942 -2.164 1
1 668 . 17 1 1 A 54 54 ASP CB C 54 41.573 41.076 0.497 1
1 669 . 17 1 1 A 55 55 ALA H H 55 7.731 8.114 -0.383 1
1 670 . 17 1 1 A 55 55 ALA HA H 55 3.589 4.004 -0.415 1
1 674 . 17 1 1 A 55 55 ALA C C 55 178.550 179.573 -1.023 1
1 675 . 17 1 1 A 55 55 ALA CA C 55 57.024 55.172 1.852 1
1 676 . 17 1 1 A 55 55 ALA CB C 55 20.320 18.485 1.835 1
1 677 . 17 1 1 A 55 55 ALA N N 55 122.261 122.130 0.131 1
1 678 . 17 1 1 A 56 56 THR H H 56 8.405 8.258 0.147 1
1 679 . 17 1 1 A 56 56 THR HA H 56 3.804 3.884 -0.080 1
1 684 . 17 1 1 A 56 56 THR C C 56 177.743 177.077 0.666 1
1 685 . 17 1 1 A 56 56 THR CA C 56 67.024 65.353 1.671 1
1 686 . 17 1 1 A 56 56 THR CB C 56 68.257 68.838 -0.581 1
1 688 . 17 1 1 A 56 56 THR N N 56 110.600 113.859 -3.259 1
1 689 . 17 1 1 A 57 57 SER H H 57 7.907 7.849 0.058 1
1 690 . 17 1 1 A 57 57 SER HA H 57 4.251 4.060 0.191 1
1 693 . 17 1 1 A 57 57 SER C C 57 176.547 175.933 0.614 1
1 694 . 17 1 1 A 57 57 SER CA C 57 60.395 61.654 -1.259 1
1 695 . 17 1 1 A 57 57 SER CB C 57 62.766 62.942 -0.176 1
1 696 . 17 1 1 A 57 57 SER N N 57 117.623 117.878 -0.255 1
1 697 . 17 1 1 A 58 58 LYS H H 58 8.180 7.534 0.646 1
1 698 . 17 1 1 A 58 58 LYS HA H 58 3.687 4.138 -0.451 1
1 707 . 17 1 1 A 58 58 LYS C C 58 178.074 179.156 -1.082 1
1 708 . 17 1 1 A 58 58 LYS CA C 58 58.090 58.145 -0.055 1
1 709 . 17 1 1 A 58 58 LYS CB C 58 32.328 32.168 0.160 1
1 713 . 17 1 1 A 58 58 LYS N N 58 120.772 120.553 0.219 1
1 714 . 17 1 1 A 59 59 ILE H H 59 8.407 8.025 0.382 1
1 715 . 17 1 1 A 59 59 ILE HA H 59 3.336 3.920 -0.584 1
1 725 . 17 1 1 A 59 59 ILE C C 59 176.705 176.994 -0.289 1
1 726 . 17 1 1 A 59 59 ILE CA C 59 64.224 63.542 0.682 1
1 727 . 17 1 1 A 59 59 ILE CB C 59 38.989 38.466 0.523 1
1 731 . 17 1 1 A 59 59 ILE N N 59 119.024 119.393 -0.369 1
1 732 . 17 1 1 A 60 60 GLY H H 60 7.360 8.150 -0.790 1
1 733 . 17 1 1 A 60 60 GLY HA2 H 60 3.884 3.862 0.022 1
1 734 . 17 1 1 A 60 60 GLY HA3 H 60 3.614 3.863 -0.249 1
1 735 . 17 1 1 A 60 60 GLY C C 60 173.964 174.778 -0.814 1
1 736 . 17 1 1 A 60 60 GLY CA C 60 44.586 46.662 -2.076 1
1 737 . 17 1 1 A 60 60 GLY N N 60 106.081 110.197 -4.116 1
1 738 . 17 1 1 A 61 61 PRO HA H 61 4.486 4.434 0.052 1
1 745 . 17 1 1 A 61 61 PRO C C 61 175.603 176.528 -0.925 1
1 746 . 17 1 1 A 61 61 PRO CA C 61 63.473 63.934 -0.461 1
1 747 . 17 1 1 A 61 61 PRO CB C 61 31.981 32.055 -0.074 1
1 750 . 17 1 1 A 62 62 GLY H H 62 7.835 7.227 0.608 1
1 751 . 17 1 1 A 62 62 GLY HA2 H 62 4.378 4.029 0.349 1
1 752 . 17 1 1 A 62 62 GLY HA3 H 62 3.416 4.032 -0.616 1
1 753 . 17 1 1 A 62 62 GLY C C 62 172.596 171.910 0.686 1
1 754 . 17 1 1 A 62 62 GLY CA C 62 44.498 44.928 -0.430 1
1 755 . 17 1 1 A 62 62 GLY N N 62 110.214 106.750 3.464 1
1 756 . 17 1 1 A 63 63 VAL H H 63 8.646 8.467 0.179 1
1 757 . 17 1 1 A 63 63 VAL HA H 63 3.668 4.327 -0.659 1
1 765 . 17 1 1 A 63 63 VAL C C 63 175.808 176.010 -0.202 1
1 766 . 17 1 1 A 63 63 VAL CA C 63 63.681 61.751 1.930 1
1 767 . 17 1 1 A 63 63 VAL CB C 63 32.863 32.610 0.253 1
1 770 . 17 1 1 A 63 63 VAL N N 63 122.735 120.417 2.318 1
1 771 . 17 1 1 A 64 64 ARG H H 64 9.524 9.142 0.382 1
1 772 . 17 1 1 A 64 64 ARG HA H 64 4.254 4.155 0.099 1
1 779 . 17 1 1 A 64 64 ARG C C 64 175.574 175.824 -0.250 1
1 780 . 17 1 1 A 64 64 ARG CA C 64 57.310 57.844 -0.534 1
1 781 . 17 1 1 A 64 64 ARG CB C 64 31.928 31.141 0.787 1
1 784 . 17 1 1 A 64 64 ARG N N 64 129.782 129.427 0.355 1
1 785 . 17 1 1 A 65 65 ASN H H 65 8.089 7.192 0.897 1
1 786 . 17 1 1 A 65 65 ASN HA H 65 4.662 4.941 -0.279 1
1 791 . 17 1 1 A 65 65 ASN C C 65 171.753 172.172 -0.419 1
1 792 . 17 1 1 A 65 65 ASN CA C 65 53.279 52.209 1.070 1
1 793 . 17 1 1 A 65 65 ASN CB C 65 43.717 40.283 3.434 1
1 794 . 17 1 1 A 65 65 ASN N N 65 114.163 112.198 1.965 1
1 796 . 17 1 1 A 66 66 PHE H H 66 9.064 8.699 0.365 1
1 797 . 17 1 1 A 66 66 PHE HA H 66 5.738 5.717 0.021 1
1 805 . 17 1 1 A 66 66 PHE C C 66 174.834 174.091 0.743 1
1 806 . 17 1 1 A 66 66 PHE CA C 66 56.578 56.363 0.215 1
1 807 . 17 1 1 A 66 66 PHE CB C 66 41.888 42.536 -0.648 1
1 813 . 17 1 1 A 66 66 PHE N N 66 114.774 116.358 -1.584 1
1 814 . 17 1 1 A 67 67 GLU H H 67 9.328 9.329 -0.001 1
1 815 . 17 1 1 A 67 67 GLU HA H 67 5.307 5.061 0.246 1
1 820 . 17 1 1 A 67 67 GLU C C 67 174.999 175.543 -0.544 1
1 821 . 17 1 1 A 67 67 GLU CA C 67 54.003 54.762 -0.759 1
1 822 . 17 1 1 A 67 67 GLU CB C 67 35.678 33.214 2.464 1
1 824 . 17 1 1 A 67 67 GLU N N 67 122.005 123.280 -1.275 1
1 825 . 17 1 1 A 68 68 VAL H H 68 8.598 8.676 -0.078 1
1 826 . 17 1 1 A 68 68 VAL HA H 68 4.859 4.303 0.556 1
1 834 . 17 1 1 A 68 68 VAL C C 68 175.361 175.074 0.287 1
1 835 . 17 1 1 A 68 68 VAL CA C 68 62.102 62.364 -0.262 1
1 836 . 17 1 1 A 68 68 VAL CB C 68 32.865 31.093 1.772 1
1 839 . 17 1 1 A 68 68 VAL N N 68 124.692 127.222 -2.530 1
1 840 . 17 1 1 A 69 69 ARG H H 69 8.896 8.995 -0.099 1
1 841 . 17 1 1 A 69 69 ARG HA H 69 4.888 5.017 -0.129 1
1 848 . 17 1 1 A 69 69 ARG C C 69 175.469 175.291 0.178 1
1 849 . 17 1 1 A 69 69 ARG CA C 69 54.384 53.902 0.482 1
1 850 . 17 1 1 A 69 69 ARG CB C 69 34.979 33.874 1.105 1
1 853 . 17 1 1 A 69 69 ARG N N 69 123.599 129.243 -5.644 1
1 854 . 17 1 1 A 70 70 SER H H 70 8.758 8.970 -0.212 1
1 855 . 17 1 1 A 70 70 SER HA H 70 4.511 4.802 -0.291 1
1 858 . 17 1 1 A 70 70 SER C C 70 173.488 173.676 -0.188 1
1 859 . 17 1 1 A 70 70 SER CA C 70 59.858 58.087 1.771 1
1 860 . 17 1 1 A 70 70 SER CB C 70 63.927 64.017 -0.090 1
1 861 . 17 1 1 A 70 70 SER N N 70 116.239 117.515 -1.276 1
1 862 . 17 1 1 A 71 71 ALA H H 71 8.456 8.618 -0.162 1
1 863 . 17 1 1 A 71 71 ALA HA H 71 4.688 4.608 0.080 1
1 867 . 17 1 1 A 71 71 ALA C C 71 176.054 176.421 -0.367 1
1 868 . 17 1 1 A 71 71 ALA CA C 71 51.016 53.520 -2.504 1
1 869 . 17 1 1 A 71 71 ALA CB C 71 20.324 21.182 -0.858 1
1 870 . 17 1 1 A 71 71 ALA N N 71 128.999 124.785 4.214 1
1 871 . 17 1 1 A 72 72 ASP H H 72 7.968 8.293 -0.325 1
1 872 . 17 1 1 A 72 72 ASP HA H 72 4.361 4.925 -0.564 1
1 875 . 17 1 1 A 72 72 ASP C C 72 176.444 174.471 1.973 1
1 876 . 17 1 1 A 72 72 ASP CA C 72 54.732 53.423 1.309 1
1 877 . 17 1 1 A 72 72 ASP CB C 72 41.060 44.058 -2.998 1
1 878 . 17 1 1 A 72 72 ASP N N 72 118.176 116.040 2.136 1
1 879 . 17 1 1 A 73 73 TYR H H 73 8.768 9.104 -0.336 1
1 880 . 17 1 1 A 73 73 TYR HA H 73 4.309 4.186 0.123 1
1 887 . 17 1 1 A 73 73 TYR C C 73 176.601 176.102 0.499 1
1 888 . 17 1 1 A 73 73 TYR CA C 73 58.799 59.091 -0.292 1
1 889 . 17 1 1 A 73 73 TYR CB C 73 36.239 36.227 0.012 1
1 894 . 17 1 1 A 73 73 TYR N N 73 117.846 121.376 -3.530 1
1 895 . 17 1 1 A 74 74 GLY H H 74 8.533 8.792 -0.259 1
1 896 . 17 1 1 A 74 74 GLY HA2 H 74 4.069 3.883 0.186 1
1 897 . 17 1 1 A 74 74 GLY HA3 H 74 3.844 3.890 -0.046 1
1 898 . 17 1 1 A 74 74 GLY C C 74 175.060 174.103 0.957 1
1 899 . 17 1 1 A 74 74 GLY CA C 74 46.117 46.174 -0.057 1
1 900 . 17 1 1 A 74 74 GLY N N 74 108.255 105.652 2.603 1
1 901 . 17 1 1 A 75 75 THR H H 75 7.534 8.161 -0.627 1
1 902 . 17 1 1 A 75 75 THR HA H 75 4.687 4.803 -0.116 1
1 907 . 17 1 1 A 75 75 THR C C 75 173.779 174.093 -0.314 1
1 908 . 17 1 1 A 75 75 THR CA C 75 61.115 60.448 0.667 1
1 909 . 17 1 1 A 75 75 THR CB C 75 71.585 71.180 0.405 1
1 911 . 17 1 1 A 75 75 THR N N 75 111.431 111.833 -0.402 1
1 912 . 17 1 1 A 76 76 GLN H H 76 8.590 8.516 0.074 1
1 913 . 17 1 1 A 76 76 GLN HA H 76 5.238 5.021 0.217 1
1 920 . 17 1 1 A 76 76 GLN C C 76 173.605 174.950 -1.345 1
1 921 . 17 1 1 A 76 76 GLN CA C 76 54.556 54.560 -0.004 1
1 922 . 17 1 1 A 76 76 GLN CB C 76 31.657 31.225 0.432 1
1 924 . 17 1 1 A 76 76 GLN N N 76 117.495 119.507 -2.012 1
1 926 . 17 1 1 A 77 77 CYS H H 77 9.058 9.003 0.055 1
1 927 . 17 1 1 A 77 77 CYS HA H 77 4.780 4.870 -0.090 1
1 930 . 17 1 1 A 77 77 CYS C C 77 172.371 173.209 -0.838 1
1 931 . 17 1 1 A 77 77 CYS CA C 77 56.886 57.763 -0.877 1
1 932 . 17 1 1 A 77 77 CYS CB C 77 31.492 32.232 -0.740 1
1 933 . 17 1 1 A 77 77 CYS N N 77 114.572 118.724 -4.152 1
1 934 . 17 1 1 A 78 78 PHE H H 78 8.872 8.759 0.113 1
1 935 . 17 1 1 A 78 78 PHE HA H 78 5.419 5.163 0.256 1
1 943 . 17 1 1 A 78 78 PHE CA C 78 58.466 56.648 1.818 1
1 944 . 17 1 1 A 78 78 PHE CB C 78 42.360 39.786 2.574 1
1 950 . 17 1 1 A 78 78 PHE N N 78 120.396 121.568 -1.172 1
1 951 . 17 1 1 A 79 79 TRP H H 79 10.003 9.394 0.609 1
1 952 . 17 1 1 A 79 79 TRP HA H 79 4.907 5.252 -0.345 1
1 961 . 17 1 1 A 79 79 TRP CA C 79 57.535 56.035 1.500 1
1 962 . 17 1 1 A 79 79 TRP CB C 79 30.788 31.165 -0.377 1
1 968 . 17 1 1 A 79 79 TRP N N 79 120.993 123.536 -2.543 1
1 970 . 17 1 1 A 80 80 ILE H H 80 9.669 9.467 0.202 1
1 971 . 17 1 1 A 80 80 ILE HA H 80 3.773 4.026 -0.253 1
1 981 . 17 1 1 A 80 80 ILE C C 80 174.675 175.321 -0.646 1
1 982 . 17 1 1 A 80 80 ILE CA C 80 61.505 60.699 0.806 1
1 983 . 17 1 1 A 80 80 ILE CB C 80 40.765 37.064 3.701 1
1 987 . 17 1 1 A 80 80 ILE N N 80 122.205 125.031 -2.826 1
1 988 . 17 1 1 A 81 81 LEU H H 81 8.489 8.725 -0.236 1
1 989 . 17 1 1 A 81 81 LEU HA H 81 5.037 4.578 0.459 1
1 999 . 17 1 1 A 81 81 LEU C C 81 177.301 176.366 0.935 1
1 1000 . 17 1 1 A 81 81 LEU CA C 81 53.483 54.279 -0.796 1
1 1001 . 17 1 1 A 81 81 LEU CB C 81 40.344 41.194 -0.850 1
1 1005 . 17 1 1 A 81 81 LEU N N 81 127.849 129.334 -1.485 1
1 1006 . 17 1 1 A 82 82 ARG H H 82 8.980 9.060 -0.080 1
1 1007 . 17 1 1 A 82 82 ARG HA H 82 5.127 4.431 0.696 1
1 1014 . 17 1 1 A 82 82 ARG C C 82 179.527 177.560 1.967 1
1 1015 . 17 1 1 A 82 82 ARG CA C 82 57.410 55.813 1.597 1
1 1016 . 17 1 1 A 82 82 ARG CB C 82 31.995 30.965 1.030 1
1 1019 . 17 1 1 A 82 82 ARG N N 82 121.829 125.664 -3.835 1
1 1020 . 17 1 1 A 83 83 THR H H 83 8.427 8.934 -0.507 1
1 1021 . 17 1 1 A 83 83 THR HA H 83 3.823 4.152 -0.329 1
1 1026 . 17 1 1 A 83 83 THR C C 83 174.540 175.333 -0.793 1
1 1027 . 17 1 1 A 83 83 THR CA C 83 64.441 64.552 -0.111 1
1 1028 . 17 1 1 A 83 83 THR CB C 83 67.987 68.789 -0.802 1
1 1030 . 17 1 1 A 83 83 THR N N 83 111.631 116.614 -4.983 1
1 1031 . 17 1 1 A 84 84 ASP H H 84 7.431 7.932 -0.501 1
1 1032 . 17 1 1 A 84 84 ASP HA H 84 4.706 4.561 0.145 1
1 1035 . 17 1 1 A 84 84 ASP C C 84 177.092 176.410 0.682 1
1 1036 . 17 1 1 A 84 84 ASP CA C 84 52.983 54.088 -1.105 1
1 1037 . 17 1 1 A 84 84 ASP CB C 84 40.502 41.572 -1.070 1
1 1038 . 17 1 1 A 84 84 ASP N N 84 117.630 118.783 -1.153 1
1 1039 . 17 1 1 A 85 85 GLY H H 85 7.924 7.530 0.394 1
1 1040 . 17 1 1 A 85 85 GLY HA2 H 85 3.741 4.034 -0.293 1
1 1041 . 17 1 1 A 85 85 GLY HA3 H 85 4.364 4.036 0.328 1
1 1042 . 17 1 1 A 85 85 GLY C C 85 174.007 174.439 -0.432 1
1 1043 . 17 1 1 A 85 85 GLY CA C 85 45.370 45.091 0.279 1
1 1044 . 17 1 1 A 85 85 GLY N N 85 108.078 108.573 -0.495 1
1 1045 . 17 1 1 A 86 86 SER H H 86 8.009 8.155 -0.146 1
1 1046 . 17 1 1 A 86 86 SER HA H 86 4.563 4.689 -0.126 1
1 1049 . 17 1 1 A 86 86 SER C C 86 172.835 174.050 -1.215 1
1 1050 . 17 1 1 A 86 86 SER CA C 86 58.731 57.446 1.285 1
1 1051 . 17 1 1 A 86 86 SER CB C 86 64.803 64.344 0.459 1
1 1052 . 17 1 1 A 86 86 SER N N 86 117.029 116.655 0.374 1
1 1053 . 17 1 1 A 87 87 GLU H H 87 8.593 8.914 -0.321 1
1 1054 . 17 1 1 A 87 87 GLU HA H 87 5.921 5.154 0.767 1
1 1059 . 17 1 1 A 87 87 GLU C C 87 175.873 174.998 0.875 1
1 1060 . 17 1 1 A 87 87 GLU CA C 87 54.343 55.525 -1.182 1
1 1061 . 17 1 1 A 87 87 GLU CB C 87 33.925 31.296 2.629 1
1 1063 . 17 1 1 A 87 87 GLU N N 87 116.585 122.526 -5.941 1
1 1064 . 17 1 1 A 88 88 GLU HA H 88 4.496 4.808 -0.312 1
1 1069 . 17 1 1 A 88 88 GLU CA C 88 55.840 55.452 0.388 1
1 1070 . 17 1 1 A 88 88 GLU CB C 88 34.310 31.536 2.774 1
1 1072 . 17 1 1 A 89 89 ARG H H 89 8.013 8.932 -0.919 1
1 1073 . 17 1 1 A 89 89 ARG HA H 89 3.184 5.243 -2.059 1
1 1080 . 17 1 1 A 89 89 ARG CA C 89 56.576 54.088 2.488 1
1 1081 . 17 1 1 A 89 89 ARG CB C 89 30.462 34.350 -3.888 1
1 1084 . 17 1 1 A 89 89 ARG N N 89 127.945 120.965 6.980 1
1 1085 . 17 1 1 A 90 90 PHE HA H 90 5.021 5.074 -0.053 1
1 1093 . 17 1 1 A 90 90 PHE CA C 90 55.089 56.307 -1.218 1
1 1094 . 17 1 1 A 90 90 PHE CB C 90 40.446 42.050 -1.604 1
1 1100 . 17 1 1 A 91 91 SER HA H 91 4.639 4.370 0.269 1
1 1103 . 17 1 1 A 91 91 SER CA C 91 56.242 57.222 -0.980 1
1 1104 . 17 1 1 A 91 91 SER CB C 91 62.621 61.099 1.522 1
1 1105 . 17 1 1 A 92 92 TYR HA H 92 4.268 4.266 0.002 1
1 1112 . 17 1 1 A 92 92 TYR C C 92 176.450 176.589 -0.139 1
1 1113 . 17 1 1 A 92 92 TYR CA C 92 59.575 61.114 -1.539 1
1 1114 . 17 1 1 A 92 92 TYR CB C 92 37.283 37.697 -0.414 1
1 1119 . 17 1 1 A 93 93 LYS H H 93 7.405 7.384 0.021 1
1 1120 . 17 1 1 A 93 93 LYS HA H 93 3.749 3.954 -0.205 1
1 1129 . 17 1 1 A 93 93 LYS C C 93 177.715 176.529 1.186 1
1 1130 . 17 1 1 A 93 93 LYS CA C 93 58.446 57.392 1.054 1
1 1131 . 17 1 1 A 93 93 LYS CB C 93 31.822 30.960 0.862 1
1 1135 . 17 1 1 A 93 93 LYS N N 93 120.689 117.837 2.852 1
1 1136 . 17 1 1 A 94 94 LYS H H 94 7.405 7.604 -0.199 1
1 1137 . 17 1 1 A 94 94 LYS HA H 94 4.079 4.552 -0.473 1
1 1146 . 17 1 1 A 94 94 LYS C C 94 176.709 176.976 -0.267 1
1 1147 . 17 1 1 A 94 94 LYS CA C 94 56.479 55.207 1.272 1
1 1148 . 17 1 1 A 94 94 LYS CB C 94 32.760 33.109 -0.349 1
1 1152 . 17 1 1 A 94 94 LYS N N 94 115.712 117.880 -2.168 1
1 1153 . 17 1 1 A 95 95 CYS H H 95 7.537 7.970 -0.433 1
1 1154 . 17 1 1 A 95 95 CYS HA H 95 3.937 4.987 -1.050 1
1 1157 . 17 1 1 A 95 95 CYS C C 95 173.487 175.166 -1.679 1
1 1158 . 17 1 1 A 95 95 CYS CA C 95 61.795 58.479 3.316 1
1 1159 . 17 1 1 A 95 95 CYS CB C 95 27.546 28.113 -0.567 1
1 1160 . 17 1 1 A 95 95 CYS N N 95 115.586 119.405 -3.819 1
1 1161 . 17 1 1 A 96 96 VAL HA H 96 4.154 4.023 0.131 1
1 1169 . 17 1 1 A 96 96 VAL C C 96 175.216 175.932 -0.716 1
1 1170 . 17 1 1 A 96 96 VAL CA C 96 61.916 63.960 -2.044 1
1 1171 . 17 1 1 A 96 96 VAL CB C 96 31.695 31.889 -0.194 1
1 1174 . 17 1 1 A 97 97 LEU H H 97 8.002 7.648 0.354 1
1 1175 . 17 1 1 A 97 97 LEU HA H 97 4.316 4.799 -0.483 1
1 1185 . 17 1 1 A 97 97 LEU C C 97 176.168 176.316 -0.148 1
1 1186 . 17 1 1 A 97 97 LEU CA C 97 54.770 53.339 1.431 1
1 1187 . 17 1 1 A 97 97 LEU CB C 97 42.558 45.627 -3.069 1
1 1191 . 17 1 1 A 97 97 LEU N N 97 124.364 119.066 5.298 1
1 1192 . 17 1 1 A 98 98 GLU H H 98 8.345 8.474 -0.129 1
1 1193 . 17 1 1 A 98 98 GLU HA H 98 4.301 4.322 -0.021 1
1 1198 . 17 1 1 A 98 98 GLU C C 98 175.732 175.751 -0.019 1
1 1199 . 17 1 1 A 98 98 GLU CA C 98 55.988 56.827 -0.839 1
1 1200 . 17 1 1 A 98 98 GLU CB C 98 30.989 29.564 1.425 1
1 1 . 18 1 1 A 2 2 ALA HA H 2 4.102 5.278 -1.176 1
1 5 . 18 1 1 A 2 2 ALA CA C 2 51.775 50.355 1.420 1
1 6 . 18 1 1 A 2 2 ALA CB C 2 19.665 23.286 -3.621 1
1 7 . 18 1 1 A 3 3 LYS HA H 3 4.329 4.682 -0.353 1
1 15 . 18 1 1 A 3 3 LYS C C 3 176.086 176.260 -0.174 1
1 16 . 18 1 1 A 3 3 LYS CA C 3 56.354 55.550 0.804 1
1 17 . 18 1 1 A 3 3 LYS CB C 3 33.325 32.893 0.432 1
1 21 . 18 1 1 A 4 4 ALA H H 4 8.515 7.806 0.709 1
1 22 . 18 1 1 A 4 4 ALA HA H 4 4.356 4.632 -0.276 1
1 26 . 18 1 1 A 4 4 ALA C C 4 177.307 176.552 0.755 1
1 27 . 18 1 1 A 4 4 ALA CA C 4 52.316 50.461 1.855 1
1 28 . 18 1 1 A 4 4 ALA CB C 4 19.421 21.885 -2.464 1
1 29 . 18 1 1 A 4 4 ALA N N 4 126.866 120.595 6.271 1
1 30 . 18 1 1 A 5 5 GLN H H 5 8.521 8.666 -0.145 1
1 31 . 18 1 1 A 5 5 GLN HA H 5 4.652 4.238 0.414 1
1 38 . 18 1 1 A 5 5 GLN C C 5 173.576 174.902 -1.326 1
1 39 . 18 1 1 A 5 5 GLN CA C 5 53.470 57.736 -4.266 1
1 40 . 18 1 1 A 5 5 GLN CB C 5 29.457 27.566 1.891 1
1 42 . 18 1 1 A 5 5 GLN N N 5 122.182 115.465 6.717 1
1 44 . 18 1 1 A 6 6 PRO HA H 6 4.587 4.473 0.114 1
1 51 . 18 1 1 A 6 6 PRO C C 6 176.481 176.551 -0.070 1
1 52 . 18 1 1 A 6 6 PRO CA C 6 63.028 63.203 -0.175 1
1 53 . 18 1 1 A 6 6 PRO CB C 6 32.905 32.035 0.870 1
1 56 . 18 1 1 A 7 7 ILE H H 7 8.581 8.308 0.273 1
1 57 . 18 1 1 A 7 7 ILE HA H 7 4.245 4.244 0.001 1
1 67 . 18 1 1 A 7 7 ILE C C 7 174.129 175.078 -0.949 1
1 68 . 18 1 1 A 7 7 ILE CA C 7 60.613 60.834 -0.221 1
1 69 . 18 1 1 A 7 7 ILE CB C 7 40.266 36.748 3.518 1
1 73 . 18 1 1 A 7 7 ILE N N 7 120.418 123.663 -3.245 1
1 74 . 18 1 1 A 8 8 GLU H H 8 8.572 8.830 -0.258 1
1 75 . 18 1 1 A 8 8 GLU HA H 8 5.363 5.295 0.068 1
1 80 . 18 1 1 A 8 8 GLU C C 8 175.806 175.413 0.393 1
1 81 . 18 1 1 A 8 8 GLU CA C 8 54.749 55.408 -0.659 1
1 82 . 18 1 1 A 8 8 GLU CB C 8 31.505 31.532 -0.027 1
1 84 . 18 1 1 A 8 8 GLU N N 8 128.440 127.915 0.525 1
1 85 . 18 1 1 A 9 9 ILE H H 9 8.591 9.046 -0.455 1
1 86 . 18 1 1 A 9 9 ILE HA H 9 4.111 4.363 -0.252 1
1 96 . 18 1 1 A 9 9 ILE C C 9 174.977 176.082 -1.105 1
1 97 . 18 1 1 A 9 9 ILE CA C 9 60.967 60.171 0.796 1
1 98 . 18 1 1 A 9 9 ILE CB C 9 41.559 39.932 1.627 1
1 102 . 18 1 1 A 9 9 ILE N N 9 123.957 127.866 -3.909 1
1 103 . 18 1 1 A 10 10 ALA H H 10 9.398 9.094 0.304 1
1 104 . 18 1 1 A 10 10 ALA HA H 10 4.072 4.044 0.028 1
1 108 . 18 1 1 A 10 10 ALA C C 10 177.026 177.074 -0.048 1
1 109 . 18 1 1 A 10 10 ALA CA C 10 52.646 53.365 -0.719 1
1 110 . 18 1 1 A 10 10 ALA CB C 10 18.121 17.964 0.157 1
1 111 . 18 1 1 A 10 10 ALA N N 10 130.074 131.847 -1.773 1
1 112 . 18 1 1 A 11 11 GLY H H 11 8.958 8.402 0.556 1
1 113 . 18 1 1 A 11 11 GLY HA2 H 11 4.046 3.743 0.303 1
1 114 . 18 1 1 A 11 11 GLY HA3 H 11 3.570 3.756 -0.186 1
1 115 . 18 1 1 A 11 11 GLY C C 11 174.139 173.857 0.282 1
1 116 . 18 1 1 A 11 11 GLY CA C 11 45.467 45.289 0.178 1
1 117 . 18 1 1 A 11 11 GLY N N 11 105.460 103.187 2.273 1
1 118 . 18 1 1 A 12 12 HIS H H 12 8.189 8.053 0.136 1
1 119 . 18 1 1 A 12 12 HIS HA H 12 4.325 4.368 -0.043 1
1 124 . 18 1 1 A 12 12 HIS C C 12 173.060 174.512 -1.452 1
1 125 . 18 1 1 A 12 12 HIS CA C 12 54.628 56.090 -1.462 1
1 126 . 18 1 1 A 12 12 HIS CB C 12 30.432 30.584 -0.152 1
1 129 . 18 1 1 A 12 12 HIS N N 12 120.216 118.790 1.426 1
1 130 . 18 1 1 A 13 13 GLU H H 13 8.338 8.704 -0.366 1
1 131 . 18 1 1 A 13 13 GLU HA H 13 4.659 5.132 -0.473 1
1 136 . 18 1 1 A 13 13 GLU C C 13 175.231 174.946 0.285 1
1 137 . 18 1 1 A 13 13 GLU CA C 13 55.147 54.739 0.408 1
1 138 . 18 1 1 A 13 13 GLU CB C 13 31.218 32.138 -0.920 1
1 140 . 18 1 1 A 13 13 GLU N N 13 122.925 120.893 2.032 1
1 141 . 18 1 1 A 14 14 PHE H H 14 9.117 8.948 0.169 1
1 142 . 18 1 1 A 14 14 PHE HA H 14 4.941 4.914 0.027 1
1 150 . 18 1 1 A 14 14 PHE C C 14 175.179 176.026 -0.847 1
1 151 . 18 1 1 A 14 14 PHE CA C 14 56.302 56.751 -0.449 1
1 152 . 18 1 1 A 14 14 PHE CB C 14 41.499 42.446 -0.947 1
1 158 . 18 1 1 A 14 14 PHE N N 14 123.141 120.221 2.920 1
1 159 . 18 1 1 A 15 15 ALA H H 15 9.393 8.733 0.660 1
1 160 . 18 1 1 A 15 15 ALA HA H 15 4.130 4.276 -0.146 1
1 164 . 18 1 1 A 15 15 ALA C C 15 177.675 177.579 0.096 1
1 165 . 18 1 1 A 15 15 ALA CA C 15 54.880 54.393 0.487 1
1 166 . 18 1 1 A 15 15 ALA CB C 15 18.986 19.592 -0.606 1
1 167 . 18 1 1 A 15 15 ALA N N 15 126.102 124.503 1.599 1
1 168 . 18 1 1 A 16 16 ARG H H 16 7.756 7.673 0.083 1
1 169 . 18 1 1 A 16 16 ARG HA H 16 4.809 4.721 0.088 1
1 176 . 18 1 1 A 16 16 ARG C C 16 177.344 176.134 1.210 1
1 177 . 18 1 1 A 16 16 ARG CA C 16 53.409 54.330 -0.921 1
1 178 . 18 1 1 A 16 16 ARG CB C 16 33.323 33.104 0.219 1
1 181 . 18 1 1 A 16 16 ARG N N 16 110.189 114.199 -4.010 1
1 182 . 18 1 1 A 17 17 LYS H H 17 9.303 8.776 0.527 1
1 183 . 18 1 1 A 17 17 LYS HA H 17 3.742 3.905 -0.163 1
1 192 . 18 1 1 A 17 17 LYS C C 17 178.667 177.836 0.831 1
1 193 . 18 1 1 A 17 17 LYS CA C 17 60.663 60.036 0.627 1
1 194 . 18 1 1 A 17 17 LYS CB C 17 32.005 32.092 -0.087 1
1 198 . 18 1 1 A 17 17 LYS N N 17 125.242 120.414 4.828 1
1 199 . 18 1 1 A 18 18 ALA H H 18 8.777 8.107 0.670 1
1 200 . 18 1 1 A 18 18 ALA HA H 18 4.046 4.081 -0.035 1
1 204 . 18 1 1 A 18 18 ALA C C 18 180.134 179.602 0.532 1
1 205 . 18 1 1 A 18 18 ALA CA C 18 55.181 54.741 0.440 1
1 206 . 18 1 1 A 18 18 ALA CB C 18 18.633 18.204 0.429 1
1 207 . 18 1 1 A 18 18 ALA N N 18 118.670 120.418 -1.748 1
1 208 . 18 1 1 A 19 19 ASP H H 19 7.454 8.044 -0.590 1
1 209 . 18 1 1 A 19 19 ASP HA H 19 4.586 4.443 0.143 1
1 212 . 18 1 1 A 19 19 ASP C C 19 178.469 178.195 0.274 1
1 213 . 18 1 1 A 19 19 ASP CA C 19 57.082 56.800 0.282 1
1 214 . 18 1 1 A 19 19 ASP CB C 19 41.304 41.438 -0.134 1
1 215 . 18 1 1 A 19 19 ASP N N 19 117.020 118.937 -1.917 1
1 216 . 18 1 1 A 20 20 ALA H H 20 7.123 7.313 -0.190 1
1 217 . 18 1 1 A 20 20 ALA HA H 20 2.604 2.624 -0.020 1
1 221 . 18 1 1 A 20 20 ALA C C 20 178.706 179.779 -1.073 1
1 222 . 18 1 1 A 20 20 ALA CA C 20 54.453 54.419 0.034 1
1 223 . 18 1 1 A 20 20 ALA CB C 20 18.199 18.019 0.180 1
1 224 . 18 1 1 A 20 20 ALA N N 20 124.691 121.439 3.252 1
1 225 . 18 1 1 A 21 21 LEU H H 21 7.871 7.924 -0.053 1
1 226 . 18 1 1 A 21 21 LEU HA H 21 4.008 3.985 0.023 1
1 236 . 18 1 1 A 21 21 LEU C C 21 179.041 178.906 0.135 1
1 237 . 18 1 1 A 21 21 LEU CA C 21 58.398 58.027 0.371 1
1 238 . 18 1 1 A 21 21 LEU CB C 21 41.382 41.771 -0.389 1
1 242 . 18 1 1 A 21 21 LEU N N 21 116.889 118.644 -1.755 1
1 243 . 18 1 1 A 22 22 ALA H H 22 7.972 8.503 -0.531 1
1 244 . 18 1 1 A 22 22 ALA HA H 22 4.158 4.114 0.044 1
1 248 . 18 1 1 A 22 22 ALA C C 22 179.288 179.138 0.150 1
1 249 . 18 1 1 A 22 22 ALA CA C 22 55.180 54.112 1.068 1
1 250 . 18 1 1 A 22 22 ALA CB C 22 18.013 18.600 -0.587 1
1 251 . 18 1 1 A 22 22 ALA N N 22 121.219 120.552 0.667 1
1 252 . 18 1 1 A 23 23 PHE H H 23 7.546 7.908 -0.362 1
1 253 . 18 1 1 A 23 23 PHE HA H 23 4.081 4.000 0.081 1
1 261 . 18 1 1 A 23 23 PHE C C 23 178.515 176.656 1.859 1
1 262 . 18 1 1 A 23 23 PHE CA C 23 61.520 61.545 -0.025 1
1 263 . 18 1 1 A 23 23 PHE CB C 23 40.296 39.188 1.108 1
1 269 . 18 1 1 A 23 23 PHE N N 23 119.034 119.702 -0.668 1
1 270 . 18 1 1 A 24 24 MET H H 24 7.595 7.978 -0.383 1
1 271 . 18 1 1 A 24 24 MET HA H 24 3.768 3.962 -0.194 1
1 279 . 18 1 1 A 24 24 MET C C 24 176.037 178.483 -2.446 1
1 280 . 18 1 1 A 24 24 MET CA C 24 59.901 58.157 1.744 1
1 281 . 18 1 1 A 24 24 MET CB C 24 34.008 32.466 1.542 1
1 284 . 18 1 1 A 24 24 MET N N 24 118.377 116.848 1.529 1
1 285 . 18 1 1 A 25 25 LYS H H 25 8.131 8.088 0.043 1
1 286 . 18 1 1 A 25 25 LYS HA H 25 3.747 4.063 -0.316 1
1 295 . 18 1 1 A 25 25 LYS C C 25 178.865 178.426 0.439 1
1 296 . 18 1 1 A 25 25 LYS CA C 25 59.994 59.571 0.423 1
1 297 . 18 1 1 A 25 25 LYS CB C 25 32.365 32.316 0.049 1
1 301 . 18 1 1 A 25 25 LYS N N 25 121.901 120.341 1.560 1
1 302 . 18 1 1 A 26 26 VAL H H 26 7.986 8.313 -0.327 1
1 303 . 18 1 1 A 26 26 VAL HA H 26 3.515 3.531 -0.016 1
1 311 . 18 1 1 A 26 26 VAL C C 26 178.654 177.933 0.721 1
1 312 . 18 1 1 A 26 26 VAL CA C 26 66.337 66.680 -0.343 1
1 313 . 18 1 1 A 26 26 VAL CB C 26 31.302 31.527 -0.225 1
1 316 . 18 1 1 A 26 26 VAL N N 26 119.393 119.843 -0.450 1
1 317 . 18 1 1 A 27 27 MET H H 27 7.232 8.045 -0.813 1
1 318 . 18 1 1 A 27 27 MET HA H 27 3.586 4.025 -0.439 1
1 326 . 18 1 1 A 27 27 MET C C 27 177.564 178.517 -0.953 1
1 327 . 18 1 1 A 27 27 MET CA C 27 59.113 58.369 0.744 1
1 328 . 18 1 1 A 27 27 MET CB C 27 34.025 32.448 1.577 1
1 331 . 18 1 1 A 27 27 MET N N 27 119.647 119.120 0.527 1
1 332 . 18 1 1 A 28 28 LEU H H 28 8.201 8.246 -0.045 1
1 333 . 18 1 1 A 28 28 LEU HA H 28 3.733 4.040 -0.307 1
1 343 . 18 1 1 A 28 28 LEU C C 28 178.075 178.675 -0.600 1
1 344 . 18 1 1 A 28 28 LEU CA C 28 57.980 58.306 -0.326 1
1 345 . 18 1 1 A 28 28 LEU CB C 28 41.151 41.117 0.034 1
1 349 . 18 1 1 A 28 28 LEU N N 28 118.420 123.356 -4.936 1
1 350 . 18 1 1 A 29 29 ASN H H 29 7.579 8.284 -0.705 1
1 351 . 18 1 1 A 29 29 ASN HA H 29 4.512 5.018 -0.506 1
1 356 . 18 1 1 A 29 29 ASN C C 29 176.087 177.630 -1.543 1
1 357 . 18 1 1 A 29 29 ASN CA C 29 54.286 55.550 -1.264 1
1 358 . 18 1 1 A 29 29 ASN CB C 29 38.984 38.173 0.811 1
1 359 . 18 1 1 A 29 29 ASN N N 29 112.254 116.902 -4.648 1
1 361 . 18 1 1 A 30 30 ARG H H 30 7.621 7.584 0.037 1
1 362 . 18 1 1 A 30 30 ARG HA H 30 4.169 3.952 0.217 1
1 369 . 18 1 1 A 30 30 ARG C C 30 175.926 176.341 -0.415 1
1 370 . 18 1 1 A 30 30 ARG CA C 30 57.482 58.523 -1.041 1
1 371 . 18 1 1 A 30 30 ARG CB C 30 30.404 30.363 0.041 1
1 374 . 18 1 1 A 30 30 ARG N N 30 118.878 119.433 -0.555 1
1 375 . 18 1 1 A 31 31 TYR H H 31 7.287 7.615 -0.328 1
1 376 . 18 1 1 A 31 31 TYR HA H 31 4.690 4.706 -0.016 1
1 383 . 18 1 1 A 31 31 TYR C C 31 174.348 175.817 -1.469 1
1 384 . 18 1 1 A 31 31 TYR CA C 31 58.118 58.356 -0.238 1
1 385 . 18 1 1 A 31 31 TYR CB C 31 43.045 39.470 3.575 1
1 390 . 18 1 1 A 31 31 TYR N N 31 118.414 117.305 1.109 1
1 391 . 18 1 1 A 32 32 ARG H H 32 9.314 8.350 0.964 1
1 392 . 18 1 1 A 32 32 ARG HA H 32 4.913 4.834 0.079 1
1 399 . 18 1 1 A 32 32 ARG C C 32 173.525 174.475 -0.950 1
1 400 . 18 1 1 A 32 32 ARG CA C 32 52.775 53.086 -0.311 1
1 401 . 18 1 1 A 32 32 ARG CB C 32 30.292 31.172 -0.880 1
1 404 . 18 1 1 A 32 32 ARG N N 32 121.876 120.753 1.123 1
1 405 . 18 1 1 A 33 33 PRO HA H 33 3.870 4.647 -0.777 1
1 412 . 18 1 1 A 33 33 PRO C C 33 177.517 177.249 0.268 1
1 413 . 18 1 1 A 33 33 PRO CA C 33 64.332 62.851 1.481 1
1 414 . 18 1 1 A 33 33 PRO CB C 33 31.655 29.764 1.891 1
1 417 . 18 1 1 A 34 34 GLY H H 34 9.584 8.596 0.988 1
1 418 . 18 1 1 A 34 34 GLY HA2 H 34 4.422 4.026 0.396 1
1 419 . 18 1 1 A 34 34 GLY HA3 H 34 3.725 4.045 -0.320 1
1 420 . 18 1 1 A 34 34 GLY C C 34 174.605 174.503 0.102 1
1 421 . 18 1 1 A 34 34 GLY CA C 34 44.745 45.401 -0.656 1
1 422 . 18 1 1 A 34 34 GLY N N 34 115.669 112.430 3.239 1
1 423 . 18 1 1 A 35 35 ASP H H 35 8.252 7.950 0.302 1
1 424 . 18 1 1 A 35 35 ASP HA H 35 4.691 4.857 -0.166 1
1 427 . 18 1 1 A 35 35 ASP C C 35 175.279 175.358 -0.079 1
1 428 . 18 1 1 A 35 35 ASP CA C 35 55.195 54.018 1.177 1
1 429 . 18 1 1 A 35 35 ASP CB C 35 42.301 42.490 -0.189 1
1 430 . 18 1 1 A 35 35 ASP N N 35 122.076 120.775 1.301 1
1 431 . 18 1 1 A 36 36 ILE H H 36 8.194 8.541 -0.347 1
1 432 . 18 1 1 A 36 36 ILE HA H 36 4.546 4.673 -0.127 1
1 442 . 18 1 1 A 36 36 ILE C C 36 176.709 176.299 0.410 1
1 443 . 18 1 1 A 36 36 ILE CA C 36 59.572 59.719 -0.147 1
1 444 . 18 1 1 A 36 36 ILE CB C 36 37.870 39.560 -1.690 1
1 448 . 18 1 1 A 36 36 ILE N N 36 120.260 121.943 -1.683 1
1 449 . 18 1 1 A 37 37 VAL H H 37 7.963 8.871 -0.908 1
1 450 . 18 1 1 A 37 37 VAL HA H 37 3.671 3.331 0.340 1
1 458 . 18 1 1 A 37 37 VAL C C 37 176.530 175.979 0.551 1
1 459 . 18 1 1 A 37 37 VAL CA C 37 62.969 63.032 -0.063 1
1 460 . 18 1 1 A 37 37 VAL CB C 37 32.201 31.925 0.276 1
1 463 . 18 1 1 A 37 37 VAL N N 37 126.533 128.092 -1.559 1
1 464 . 18 1 1 A 38 38 SER H H 38 8.852 9.048 -0.196 1
1 465 . 18 1 1 A 38 38 SER HA H 38 4.600 4.601 -0.001 1
1 468 . 18 1 1 A 38 38 SER C C 38 174.950 175.552 -0.602 1
1 469 . 18 1 1 A 38 38 SER CA C 38 58.147 58.735 -0.588 1
1 470 . 18 1 1 A 38 38 SER CB C 38 65.224 64.277 0.947 1
1 471 . 18 1 1 A 38 38 SER N N 38 122.752 121.275 1.477 1
1 472 . 18 1 1 A 39 39 THR H H 39 8.870 8.847 0.023 1
1 473 . 18 1 1 A 39 39 THR HA H 39 4.153 4.040 0.113 1
1 478 . 18 1 1 A 39 39 THR C C 39 177.855 176.079 1.776 1
1 479 . 18 1 1 A 39 39 THR CA C 39 66.299 66.920 -0.621 1
1 480 . 18 1 1 A 39 39 THR CB C 39 68.559 68.999 -0.440 1
1 482 . 18 1 1 A 39 39 THR N N 39 116.391 120.864 -4.473 1
1 483 . 18 1 1 A 40 40 VAL H H 40 8.018 8.180 -0.162 1
1 484 . 18 1 1 A 40 40 VAL HA H 40 4.028 3.633 0.395 1
1 492 . 18 1 1 A 40 40 VAL C C 40 178.339 177.405 0.934 1
1 493 . 18 1 1 A 40 40 VAL CA C 40 65.776 66.782 -1.006 1
1 494 . 18 1 1 A 40 40 VAL CB C 40 32.139 31.347 0.792 1
1 497 . 18 1 1 A 40 40 VAL N N 40 121.035 121.799 -0.764 1
1 498 . 18 1 1 A 41 41 ASP H H 41 7.610 8.811 -1.201 1
1 499 . 18 1 1 A 41 41 ASP HA H 41 4.570 4.472 0.098 1
1 502 . 18 1 1 A 41 41 ASP C C 41 178.746 180.042 -1.296 1
1 503 . 18 1 1 A 41 41 ASP CA C 41 57.492 56.984 0.508 1
1 504 . 18 1 1 A 41 41 ASP CB C 41 39.740 40.216 -0.476 1
1 505 . 18 1 1 A 41 41 ASP N N 41 124.108 119.670 4.438 1
1 506 . 18 1 1 A 42 42 GLY H H 42 9.363 8.772 0.591 1
1 507 . 18 1 1 A 42 42 GLY HA2 H 42 4.186 3.771 0.415 1
1 508 . 18 1 1 A 42 42 GLY HA3 H 42 3.584 3.943 -0.359 1
1 509 . 18 1 1 A 42 42 GLY C C 42 175.329 176.660 -1.331 1
1 510 . 18 1 1 A 42 42 GLY CA C 42 46.944 47.150 -0.206 1
1 511 . 18 1 1 A 42 42 GLY N N 42 109.572 109.147 0.425 1
1 512 . 18 1 1 A 43 43 ALA H H 43 7.949 8.208 -0.259 1
1 513 . 18 1 1 A 43 43 ALA HA H 43 4.240 4.063 0.177 1
1 517 . 18 1 1 A 43 43 ALA C C 43 180.375 179.489 0.886 1
1 518 . 18 1 1 A 43 43 ALA CA C 43 54.897 54.768 0.129 1
1 519 . 18 1 1 A 43 43 ALA CB C 43 17.895 18.325 -0.430 1
1 520 . 18 1 1 A 43 43 ALA N N 43 123.561 124.688 -1.127 1
1 521 . 18 1 1 A 44 44 PHE H H 44 7.337 8.122 -0.785 1
1 522 . 18 1 1 A 44 44 PHE HA H 44 3.957 4.157 -0.200 1
1 530 . 18 1 1 A 44 44 PHE C C 44 177.252 176.578 0.674 1
1 531 . 18 1 1 A 44 44 PHE CA C 44 61.508 61.423 0.085 1
1 532 . 18 1 1 A 44 44 PHE CB C 44 38.993 39.282 -0.289 1
1 538 . 18 1 1 A 44 44 PHE N N 44 118.542 120.288 -1.746 1
1 539 . 18 1 1 A 45 45 LEU H H 45 8.301 8.025 0.276 1
1 540 . 18 1 1 A 45 45 LEU HA H 45 3.741 3.567 0.174 1
1 550 . 18 1 1 A 45 45 LEU C C 45 178.847 178.796 0.051 1
1 551 . 18 1 1 A 45 45 LEU CA C 45 57.643 57.611 0.032 1
1 552 . 18 1 1 A 45 45 LEU CB C 45 41.274 40.876 0.398 1
1 556 . 18 1 1 A 45 45 LEU N N 45 119.345 119.902 -0.557 1
1 557 . 18 1 1 A 46 46 VAL H H 46 8.562 8.056 0.506 1
1 558 . 18 1 1 A 46 46 VAL HA H 46 3.759 3.615 0.144 1
1 566 . 18 1 1 A 46 46 VAL C C 46 177.077 177.353 -0.276 1
1 567 . 18 1 1 A 46 46 VAL CA C 46 67.081 67.107 -0.026 1
1 568 . 18 1 1 A 46 46 VAL CB C 46 31.639 31.486 0.153 1
1 571 . 18 1 1 A 46 46 VAL N N 46 118.458 118.763 -0.305 1
1 572 . 18 1 1 A 47 47 GLU H H 47 6.896 8.034 -1.138 1
1 573 . 18 1 1 A 47 47 GLU HA H 47 4.019 3.946 0.073 1
1 578 . 18 1 1 A 47 47 GLU C C 47 179.738 178.965 0.773 1
1 579 . 18 1 1 A 47 47 GLU CA C 47 58.582 59.103 -0.521 1
1 580 . 18 1 1 A 47 47 GLU CB C 47 29.029 29.719 -0.690 1
1 582 . 18 1 1 A 47 47 GLU N N 47 117.916 119.389 -1.473 1
1 583 . 18 1 1 A 48 48 ALA H H 48 8.310 8.073 0.237 1
1 584 . 18 1 1 A 48 48 ALA HA H 48 3.761 3.814 -0.053 1
1 588 . 18 1 1 A 48 48 ALA C C 48 179.636 178.909 0.727 1
1 589 . 18 1 1 A 48 48 ALA CA C 48 55.769 54.647 1.122 1
1 590 . 18 1 1 A 48 48 ALA CB C 48 17.370 18.154 -0.784 1
1 591 . 18 1 1 A 48 48 ALA N N 48 123.600 122.261 1.339 1
1 592 . 18 1 1 A 49 49 LEU H H 49 8.724 7.907 0.817 1
1 593 . 18 1 1 A 49 49 LEU HA H 49 3.924 4.003 -0.079 1
1 603 . 18 1 1 A 49 49 LEU C C 49 178.188 178.669 -0.481 1
1 604 . 18 1 1 A 49 49 LEU CA C 49 57.387 57.284 0.103 1
1 605 . 18 1 1 A 49 49 LEU CB C 49 41.780 41.693 0.087 1
1 609 . 18 1 1 A 49 49 LEU N N 49 119.812 119.865 -0.053 1
1 610 . 18 1 1 A 50 50 LYS H H 50 7.421 8.126 -0.705 1
1 611 . 18 1 1 A 50 50 LYS HA H 50 3.856 3.877 -0.021 1
1 620 . 18 1 1 A 50 50 LYS C C 50 177.592 178.281 -0.689 1
1 621 . 18 1 1 A 50 50 LYS CA C 50 59.345 59.894 -0.549 1
1 622 . 18 1 1 A 50 50 LYS CB C 50 32.757 32.275 0.482 1
1 626 . 18 1 1 A 50 50 LYS N N 50 115.568 118.554 -2.986 1
1 627 . 18 1 1 A 51 51 ARG H H 51 7.787 7.176 0.611 1
1 628 . 18 1 1 A 51 51 ARG HA H 51 4.356 4.219 0.137 1
1 635 . 18 1 1 A 51 51 ARG C C 51 176.424 175.009 1.415 1
1 636 . 18 1 1 A 51 51 ARG CA C 51 55.690 55.501 0.189 1
1 637 . 18 1 1 A 51 51 ARG CB C 51 30.227 30.507 -0.280 1
1 640 . 18 1 1 A 51 51 ARG N N 51 115.686 116.090 -0.404 1
1 641 . 18 1 1 A 52 52 HIS H H 52 8.159 7.334 0.825 1
1 642 . 18 1 1 A 52 52 HIS HA H 52 4.512 4.852 -0.340 1
1 646 . 18 1 1 A 52 52 HIS C C 52 175.409 174.868 0.541 1
1 647 . 18 1 1 A 52 52 HIS CA C 52 56.087 53.881 2.206 1
1 648 . 18 1 1 A 52 52 HIS CB C 52 32.904 31.144 1.760 1
1 650 . 18 1 1 A 52 52 HIS N N 52 125.025 117.940 7.085 1
1 651 . 18 1 1 A 53 53 PRO HA H 53 4.341 4.303 0.038 1
1 658 . 18 1 1 A 53 53 PRO CA C 53 65.210 65.130 0.080 1
1 659 . 18 1 1 A 53 53 PRO CB C 53 31.791 31.703 0.088 1
1 662 . 18 1 1 A 54 54 ASP H H 54 8.058 8.565 -0.507 1
1 663 . 18 1 1 A 54 54 ASP HA H 54 5.184 4.843 0.341 1
1 666 . 18 1 1 A 54 54 ASP C C 54 176.079 176.313 -0.234 1
1 667 . 18 1 1 A 54 54 ASP CA C 54 52.778 53.463 -0.685 1
1 668 . 18 1 1 A 54 54 ASP CB C 54 41.573 39.058 2.515 1
1 669 . 18 1 1 A 55 55 ALA H H 55 7.731 7.690 0.041 1
1 670 . 18 1 1 A 55 55 ALA HA H 55 3.589 4.545 -0.956 1
1 674 . 18 1 1 A 55 55 ALA C C 55 178.550 178.028 0.522 1
1 675 . 18 1 1 A 55 55 ALA CA C 55 57.024 53.076 3.948 1
1 676 . 18 1 1 A 55 55 ALA CB C 55 20.320 21.052 -0.732 1
1 677 . 18 1 1 A 55 55 ALA N N 55 122.261 122.436 -0.175 1
1 678 . 18 1 1 A 56 56 THR H H 56 8.405 8.164 0.241 1
1 679 . 18 1 1 A 56 56 THR HA H 56 3.804 3.881 -0.077 1
1 684 . 18 1 1 A 56 56 THR C C 56 177.743 176.729 1.014 1
1 685 . 18 1 1 A 56 56 THR CA C 56 67.024 66.114 0.910 1
1 686 . 18 1 1 A 56 56 THR CB C 56 68.257 69.112 -0.855 1
1 688 . 18 1 1 A 56 56 THR N N 56 110.600 114.478 -3.878 1
1 689 . 18 1 1 A 57 57 SER H H 57 7.907 8.395 -0.488 1
1 690 . 18 1 1 A 57 57 SER HA H 57 4.251 4.236 0.015 1
1 693 . 18 1 1 A 57 57 SER C C 57 176.547 177.248 -0.701 1
1 694 . 18 1 1 A 57 57 SER CA C 57 60.395 61.093 -0.698 1
1 695 . 18 1 1 A 57 57 SER CB C 57 62.766 62.514 0.252 1
1 696 . 18 1 1 A 57 57 SER N N 57 117.623 115.175 2.448 1
1 697 . 18 1 1 A 58 58 LYS H H 58 8.180 7.292 0.888 1
1 698 . 18 1 1 A 58 58 LYS HA H 58 3.687 4.192 -0.505 1
1 707 . 18 1 1 A 58 58 LYS C C 58 178.074 179.291 -1.217 1
1 708 . 18 1 1 A 58 58 LYS CA C 58 58.090 58.572 -0.482 1
1 709 . 18 1 1 A 58 58 LYS CB C 58 32.328 32.272 0.056 1
1 713 . 18 1 1 A 58 58 LYS N N 58 120.772 121.909 -1.137 1
1 714 . 18 1 1 A 59 59 ILE H H 59 8.407 8.044 0.363 1
1 715 . 18 1 1 A 59 59 ILE HA H 59 3.336 3.842 -0.506 1
1 725 . 18 1 1 A 59 59 ILE C C 59 176.705 176.944 -0.239 1
1 726 . 18 1 1 A 59 59 ILE CA C 59 64.224 63.577 0.647 1
1 727 . 18 1 1 A 59 59 ILE CB C 59 38.989 38.464 0.525 1
1 731 . 18 1 1 A 59 59 ILE N N 59 119.024 119.282 -0.258 1
1 732 . 18 1 1 A 60 60 GLY H H 60 7.360 8.087 -0.727 1
1 733 . 18 1 1 A 60 60 GLY HA2 H 60 3.884 3.944 -0.060 1
1 734 . 18 1 1 A 60 60 GLY HA3 H 60 3.614 3.945 -0.331 1
1 735 . 18 1 1 A 60 60 GLY C C 60 173.964 174.739 -0.775 1
1 736 . 18 1 1 A 60 60 GLY CA C 60 44.586 45.992 -1.406 1
1 737 . 18 1 1 A 60 60 GLY N N 60 106.081 109.751 -3.670 1
1 738 . 18 1 1 A 61 61 PRO HA H 61 4.486 4.430 0.056 1
1 745 . 18 1 1 A 61 61 PRO C C 61 175.603 176.437 -0.834 1
1 746 . 18 1 1 A 61 61 PRO CA C 61 63.473 63.992 -0.519 1
1 747 . 18 1 1 A 61 61 PRO CB C 61 31.981 32.056 -0.075 1
1 750 . 18 1 1 A 62 62 GLY H H 62 7.835 6.973 0.862 1
1 751 . 18 1 1 A 62 62 GLY HA2 H 62 4.378 4.032 0.346 1
1 752 . 18 1 1 A 62 62 GLY HA3 H 62 3.416 4.035 -0.619 1
1 753 . 18 1 1 A 62 62 GLY C C 62 172.596 171.961 0.635 1
1 754 . 18 1 1 A 62 62 GLY CA C 62 44.498 44.766 -0.268 1
1 755 . 18 1 1 A 62 62 GLY N N 62 110.214 107.505 2.709 1
1 756 . 18 1 1 A 63 63 VAL H H 63 8.646 8.390 0.256 1
1 757 . 18 1 1 A 63 63 VAL HA H 63 3.668 4.256 -0.588 1
1 765 . 18 1 1 A 63 63 VAL C C 63 175.808 175.862 -0.054 1
1 766 . 18 1 1 A 63 63 VAL CA C 63 63.681 62.188 1.493 1
1 767 . 18 1 1 A 63 63 VAL CB C 63 32.863 32.361 0.502 1
1 770 . 18 1 1 A 63 63 VAL N N 63 122.735 120.446 2.289 1
1 771 . 18 1 1 A 64 64 ARG H H 64 9.524 9.056 0.468 1
1 772 . 18 1 1 A 64 64 ARG HA H 64 4.254 4.256 -0.002 1
1 779 . 18 1 1 A 64 64 ARG C C 64 175.574 175.958 -0.384 1
1 780 . 18 1 1 A 64 64 ARG CA C 64 57.310 57.347 -0.037 1
1 781 . 18 1 1 A 64 64 ARG CB C 64 31.928 31.367 0.561 1
1 784 . 18 1 1 A 64 64 ARG N N 64 129.782 129.048 0.734 1
1 785 . 18 1 1 A 65 65 ASN H H 65 8.089 7.556 0.533 1
1 786 . 18 1 1 A 65 65 ASN HA H 65 4.662 4.999 -0.337 1
1 791 . 18 1 1 A 65 65 ASN C C 65 171.753 172.645 -0.892 1
1 792 . 18 1 1 A 65 65 ASN CA C 65 53.279 52.042 1.237 1
1 793 . 18 1 1 A 65 65 ASN CB C 65 43.717 41.475 2.242 1
1 794 . 18 1 1 A 65 65 ASN N N 65 114.163 112.610 1.553 1
1 796 . 18 1 1 A 66 66 PHE H H 66 9.064 8.899 0.165 1
1 797 . 18 1 1 A 66 66 PHE HA H 66 5.738 5.607 0.131 1
1 805 . 18 1 1 A 66 66 PHE C C 66 174.834 174.528 0.306 1
1 806 . 18 1 1 A 66 66 PHE CA C 66 56.578 57.273 -0.695 1
1 807 . 18 1 1 A 66 66 PHE CB C 66 41.888 41.181 0.707 1
1 813 . 18 1 1 A 66 66 PHE N N 66 114.774 120.094 -5.320 1
1 814 . 18 1 1 A 67 67 GLU H H 67 9.328 9.446 -0.118 1
1 815 . 18 1 1 A 67 67 GLU HA H 67 5.307 5.045 0.262 1
1 820 . 18 1 1 A 67 67 GLU C C 67 174.999 175.561 -0.562 1
1 821 . 18 1 1 A 67 67 GLU CA C 67 54.003 54.834 -0.831 1
1 822 . 18 1 1 A 67 67 GLU CB C 67 35.678 32.867 2.811 1
1 824 . 18 1 1 A 67 67 GLU N N 67 122.005 124.870 -2.865 1
1 825 . 18 1 1 A 68 68 VAL H H 68 8.598 8.755 -0.157 1
1 826 . 18 1 1 A 68 68 VAL HA H 68 4.859 4.487 0.372 1
1 834 . 18 1 1 A 68 68 VAL C C 68 175.361 175.305 0.056 1
1 835 . 18 1 1 A 68 68 VAL CA C 68 62.102 62.193 -0.091 1
1 836 . 18 1 1 A 68 68 VAL CB C 68 32.865 31.480 1.385 1
1 839 . 18 1 1 A 68 68 VAL N N 68 124.692 127.376 -2.684 1
1 840 . 18 1 1 A 69 69 ARG H H 69 8.896 8.931 -0.035 1
1 841 . 18 1 1 A 69 69 ARG HA H 69 4.888 4.951 -0.063 1
1 848 . 18 1 1 A 69 69 ARG C C 69 175.469 174.924 0.545 1
1 849 . 18 1 1 A 69 69 ARG CA C 69 54.384 54.014 0.370 1
1 850 . 18 1 1 A 69 69 ARG CB C 69 34.979 33.829 1.150 1
1 853 . 18 1 1 A 69 69 ARG N N 69 123.599 128.124 -4.525 1
1 854 . 18 1 1 A 70 70 SER H H 70 8.758 8.885 -0.127 1
1 855 . 18 1 1 A 70 70 SER HA H 70 4.511 4.967 -0.456 1
1 858 . 18 1 1 A 70 70 SER C C 70 173.488 174.595 -1.107 1
1 859 . 18 1 1 A 70 70 SER CA C 70 59.858 58.551 1.307 1
1 860 . 18 1 1 A 70 70 SER CB C 70 63.927 63.303 0.624 1
1 861 . 18 1 1 A 70 70 SER N N 70 116.239 117.762 -1.523 1
1 862 . 18 1 1 A 71 71 ALA H H 71 8.456 9.034 -0.578 1
1 863 . 18 1 1 A 71 71 ALA HA H 71 4.688 4.273 0.415 1
1 867 . 18 1 1 A 71 71 ALA C C 71 176.054 178.841 -2.787 1
1 868 . 18 1 1 A 71 71 ALA CA C 71 51.016 55.310 -4.294 1
1 869 . 18 1 1 A 71 71 ALA CB C 71 20.324 18.916 1.408 1
1 870 . 18 1 1 A 71 71 ALA N N 71 128.999 127.338 1.661 1
1 871 . 18 1 1 A 72 72 ASP H H 72 7.968 8.381 -0.413 1
1 872 . 18 1 1 A 72 72 ASP HA H 72 4.361 4.358 0.003 1
1 875 . 18 1 1 A 72 72 ASP C C 72 176.444 177.192 -0.748 1
1 876 . 18 1 1 A 72 72 ASP CA C 72 54.732 56.154 -1.422 1
1 877 . 18 1 1 A 72 72 ASP CB C 72 41.060 40.772 0.288 1
1 878 . 18 1 1 A 72 72 ASP N N 72 118.176 118.772 -0.596 1
1 879 . 18 1 1 A 73 73 TYR H H 73 8.768 8.049 0.719 1
1 880 . 18 1 1 A 73 73 TYR HA H 73 4.309 4.725 -0.416 1
1 887 . 18 1 1 A 73 73 TYR C C 73 176.601 176.586 0.015 1
1 888 . 18 1 1 A 73 73 TYR CA C 73 58.799 59.211 -0.412 1
1 889 . 18 1 1 A 73 73 TYR CB C 73 36.239 40.006 -3.767 1
1 894 . 18 1 1 A 73 73 TYR N N 73 117.846 113.331 4.515 1
1 895 . 18 1 1 A 74 74 GLY H H 74 8.533 8.104 0.429 1
1 896 . 18 1 1 A 74 74 GLY HA2 H 74 4.069 3.955 0.114 1
1 897 . 18 1 1 A 74 74 GLY HA3 H 74 3.844 3.956 -0.112 1
1 898 . 18 1 1 A 74 74 GLY C C 74 175.060 174.135 0.925 1
1 899 . 18 1 1 A 74 74 GLY CA C 74 46.117 46.037 0.080 1
1 900 . 18 1 1 A 74 74 GLY N N 74 108.255 107.496 0.759 1
1 901 . 18 1 1 A 75 75 THR H H 75 7.534 7.716 -0.182 1
1 902 . 18 1 1 A 75 75 THR HA H 75 4.687 5.112 -0.425 1
1 907 . 18 1 1 A 75 75 THR C C 75 173.779 173.188 0.591 1
1 908 . 18 1 1 A 75 75 THR CA C 75 61.115 59.563 1.552 1
1 909 . 18 1 1 A 75 75 THR CB C 75 71.585 72.866 -1.281 1
1 911 . 18 1 1 A 75 75 THR N N 75 111.431 111.495 -0.064 1
1 912 . 18 1 1 A 76 76 GLN H H 76 8.590 8.333 0.257 1
1 913 . 18 1 1 A 76 76 GLN HA H 76 5.238 5.197 0.041 1
1 920 . 18 1 1 A 76 76 GLN C C 76 173.605 174.157 -0.552 1
1 921 . 18 1 1 A 76 76 GLN CA C 76 54.556 54.164 0.392 1
1 922 . 18 1 1 A 76 76 GLN CB C 76 31.657 32.395 -0.738 1
1 924 . 18 1 1 A 76 76 GLN N N 76 117.495 118.890 -1.395 1
1 926 . 18 1 1 A 77 77 CYS H H 77 9.058 8.845 0.213 1
1 927 . 18 1 1 A 77 77 CYS HA H 77 4.780 4.857 -0.077 1
1 930 . 18 1 1 A 77 77 CYS C C 77 172.371 173.602 -1.231 1
1 931 . 18 1 1 A 77 77 CYS CA C 77 56.886 58.053 -1.167 1
1 932 . 18 1 1 A 77 77 CYS CB C 77 31.492 31.204 0.288 1
1 933 . 18 1 1 A 77 77 CYS N N 77 114.572 119.310 -4.738 1
1 934 . 18 1 1 A 78 78 PHE H H 78 8.872 8.651 0.221 1
1 935 . 18 1 1 A 78 78 PHE HA H 78 5.419 5.280 0.139 1
1 943 . 18 1 1 A 78 78 PHE CA C 78 58.466 56.394 2.072 1
1 944 . 18 1 1 A 78 78 PHE CB C 78 42.360 40.411 1.949 1
1 950 . 18 1 1 A 78 78 PHE N N 78 120.396 120.859 -0.463 1
1 951 . 18 1 1 A 79 79 TRP H H 79 10.003 9.484 0.519 1
1 952 . 18 1 1 A 79 79 TRP HA H 79 4.907 5.566 -0.659 1
1 961 . 18 1 1 A 79 79 TRP CA C 79 57.535 55.818 1.717 1
1 962 . 18 1 1 A 79 79 TRP CB C 79 30.788 32.154 -1.366 1
1 968 . 18 1 1 A 79 79 TRP N N 79 120.993 122.573 -1.580 1
1 970 . 18 1 1 A 80 80 ILE H H 80 9.669 9.653 0.016 1
1 971 . 18 1 1 A 80 80 ILE HA H 80 3.773 4.282 -0.509 1
1 981 . 18 1 1 A 80 80 ILE C C 80 174.675 175.319 -0.644 1
1 982 . 18 1 1 A 80 80 ILE CA C 80 61.505 61.212 0.293 1
1 983 . 18 1 1 A 80 80 ILE CB C 80 40.765 37.132 3.633 1
1 987 . 18 1 1 A 80 80 ILE N N 80 122.205 125.496 -3.291 1
1 988 . 18 1 1 A 81 81 LEU H H 81 8.489 8.863 -0.374 1
1 989 . 18 1 1 A 81 81 LEU HA H 81 5.037 4.775 0.262 1
1 999 . 18 1 1 A 81 81 LEU C C 81 177.301 175.904 1.397 1
1 1000 . 18 1 1 A 81 81 LEU CA C 81 53.483 54.306 -0.823 1
1 1001 . 18 1 1 A 81 81 LEU CB C 81 40.344 41.029 -0.685 1
1 1005 . 18 1 1 A 81 81 LEU N N 81 127.849 129.267 -1.418 1
1 1006 . 18 1 1 A 82 82 ARG H H 82 8.980 8.618 0.362 1
1 1007 . 18 1 1 A 82 82 ARG HA H 82 5.127 4.382 0.745 1
1 1014 . 18 1 1 A 82 82 ARG C C 82 179.527 177.644 1.883 1
1 1015 . 18 1 1 A 82 82 ARG CA C 82 57.410 55.646 1.764 1
1 1016 . 18 1 1 A 82 82 ARG CB C 82 31.995 30.932 1.063 1
1 1019 . 18 1 1 A 82 82 ARG N N 82 121.829 125.092 -3.263 1
1 1020 . 18 1 1 A 83 83 THR H H 83 8.427 8.985 -0.558 1
1 1021 . 18 1 1 A 83 83 THR HA H 83 3.823 4.071 -0.248 1
1 1026 . 18 1 1 A 83 83 THR C C 83 174.540 176.416 -1.876 1
1 1027 . 18 1 1 A 83 83 THR CA C 83 64.441 64.715 -0.274 1
1 1028 . 18 1 1 A 83 83 THR CB C 83 67.987 68.599 -0.612 1
1 1030 . 18 1 1 A 83 83 THR N N 83 111.631 116.334 -4.703 1
1 1031 . 18 1 1 A 84 84 ASP H H 84 7.431 7.873 -0.442 1
1 1032 . 18 1 1 A 84 84 ASP HA H 84 4.706 4.597 0.109 1
1 1035 . 18 1 1 A 84 84 ASP C C 84 177.092 176.320 0.772 1
1 1036 . 18 1 1 A 84 84 ASP CA C 84 52.983 54.770 -1.787 1
1 1037 . 18 1 1 A 84 84 ASP CB C 84 40.502 41.096 -0.594 1
1 1038 . 18 1 1 A 84 84 ASP N N 84 117.630 121.174 -3.544 1
1 1039 . 18 1 1 A 85 85 GLY H H 85 7.924 8.161 -0.237 1
1 1040 . 18 1 1 A 85 85 GLY HA2 H 85 3.741 3.974 -0.233 1
1 1041 . 18 1 1 A 85 85 GLY HA3 H 85 4.364 3.977 0.387 1
1 1042 . 18 1 1 A 85 85 GLY C C 85 174.007 174.589 -0.582 1
1 1043 . 18 1 1 A 85 85 GLY CA C 85 45.370 45.105 0.265 1
1 1044 . 18 1 1 A 85 85 GLY N N 85 108.078 108.281 -0.203 1
1 1045 . 18 1 1 A 86 86 SER H H 86 8.009 8.028 -0.019 1
1 1046 . 18 1 1 A 86 86 SER HA H 86 4.563 4.492 0.071 1
1 1049 . 18 1 1 A 86 86 SER C C 86 172.835 174.937 -2.102 1
1 1050 . 18 1 1 A 86 86 SER CA C 86 58.731 59.375 -0.644 1
1 1051 . 18 1 1 A 86 86 SER CB C 86 64.803 63.652 1.151 1
1 1052 . 18 1 1 A 86 86 SER N N 86 117.029 117.527 -0.498 1
1 1053 . 18 1 1 A 87 87 GLU H H 87 8.593 8.622 -0.029 1
1 1054 . 18 1 1 A 87 87 GLU HA H 87 5.921 5.168 0.753 1
1 1059 . 18 1 1 A 87 87 GLU C C 87 175.873 175.254 0.619 1
1 1060 . 18 1 1 A 87 87 GLU CA C 87 54.343 55.548 -1.205 1
1 1061 . 18 1 1 A 87 87 GLU CB C 87 33.925 31.805 2.120 1
1 1063 . 18 1 1 A 87 87 GLU N N 87 116.585 122.289 -5.704 1
1 1064 . 18 1 1 A 88 88 GLU HA H 88 4.496 4.849 -0.353 1
1 1069 . 18 1 1 A 88 88 GLU CA C 88 55.840 55.175 0.665 1
1 1070 . 18 1 1 A 88 88 GLU CB C 88 34.310 33.510 0.800 1
1 1072 . 18 1 1 A 89 89 ARG H H 89 8.013 8.648 -0.635 1
1 1073 . 18 1 1 A 89 89 ARG HA H 89 3.184 5.049 -1.865 1
1 1080 . 18 1 1 A 89 89 ARG CA C 89 56.576 53.983 2.593 1
1 1081 . 18 1 1 A 89 89 ARG CB C 89 30.462 33.996 -3.534 1
1 1084 . 18 1 1 A 89 89 ARG N N 89 127.945 121.167 6.778 1
1 1085 . 18 1 1 A 90 90 PHE HA H 90 5.021 5.386 -0.365 1
1 1093 . 18 1 1 A 90 90 PHE CA C 90 55.089 55.750 -0.661 1
1 1094 . 18 1 1 A 90 90 PHE CB C 90 40.446 42.270 -1.824 1
1 1100 . 18 1 1 A 91 91 SER HA H 91 4.639 4.315 0.324 1
1 1103 . 18 1 1 A 91 91 SER CA C 91 56.242 57.274 -1.032 1
1 1104 . 18 1 1 A 91 91 SER CB C 91 62.621 60.577 2.044 1
1 1105 . 18 1 1 A 92 92 TYR HA H 92 4.268 4.264 0.004 1
1 1112 . 18 1 1 A 92 92 TYR C C 92 176.450 176.817 -0.367 1
1 1113 . 18 1 1 A 92 92 TYR CA C 92 59.575 60.901 -1.326 1
1 1114 . 18 1 1 A 92 92 TYR CB C 92 37.283 37.921 -0.638 1
1 1119 . 18 1 1 A 93 93 LYS H H 93 7.405 8.031 -0.626 1
1 1120 . 18 1 1 A 93 93 LYS HA H 93 3.749 4.136 -0.387 1
1 1129 . 18 1 1 A 93 93 LYS C C 93 177.715 176.912 0.803 1
1 1130 . 18 1 1 A 93 93 LYS CA C 93 58.446 58.129 0.317 1
1 1131 . 18 1 1 A 93 93 LYS CB C 93 31.822 31.235 0.587 1
1 1135 . 18 1 1 A 93 93 LYS N N 93 120.689 118.730 1.959 1
1 1136 . 18 1 1 A 94 94 LYS H H 94 7.405 7.702 -0.297 1
1 1137 . 18 1 1 A 94 94 LYS HA H 94 4.079 4.422 -0.343 1
1 1146 . 18 1 1 A 94 94 LYS C C 94 176.709 176.450 0.259 1
1 1147 . 18 1 1 A 94 94 LYS CA C 94 56.479 55.558 0.921 1
1 1148 . 18 1 1 A 94 94 LYS CB C 94 32.760 33.017 -0.257 1
1 1152 . 18 1 1 A 94 94 LYS N N 94 115.712 117.212 -1.500 1
1 1153 . 18 1 1 A 95 95 CYS H H 95 7.537 7.751 -0.214 1
1 1154 . 18 1 1 A 95 95 CYS HA H 95 3.937 4.650 -0.713 1
1 1157 . 18 1 1 A 95 95 CYS C C 95 173.487 175.227 -1.740 1
1 1158 . 18 1 1 A 95 95 CYS CA C 95 61.795 58.275 3.520 1
1 1159 . 18 1 1 A 95 95 CYS CB C 95 27.546 28.031 -0.485 1
1 1160 . 18 1 1 A 95 95 CYS N N 95 115.586 119.675 -4.089 1
1 1161 . 18 1 1 A 96 96 VAL HA H 96 4.154 3.997 0.157 1
1 1169 . 18 1 1 A 96 96 VAL C C 96 175.216 175.408 -0.192 1
1 1170 . 18 1 1 A 96 96 VAL CA C 96 61.916 63.561 -1.645 1
1 1171 . 18 1 1 A 96 96 VAL CB C 96 31.695 31.881 -0.186 1
1 1174 . 18 1 1 A 97 97 LEU H H 97 8.002 7.683 0.319 1
1 1175 . 18 1 1 A 97 97 LEU HA H 97 4.316 4.870 -0.554 1
1 1185 . 18 1 1 A 97 97 LEU C C 97 176.168 176.127 0.041 1
1 1186 . 18 1 1 A 97 97 LEU CA C 97 54.770 53.788 0.982 1
1 1187 . 18 1 1 A 97 97 LEU CB C 97 42.558 47.116 -4.558 1
1 1191 . 18 1 1 A 97 97 LEU N N 97 124.364 119.078 5.286 1
1 1192 . 18 1 1 A 98 98 GLU H H 98 8.345 8.735 -0.390 1
1 1193 . 18 1 1 A 98 98 GLU HA H 98 4.301 4.504 -0.203 1
1 1198 . 18 1 1 A 98 98 GLU C C 98 175.732 178.106 -2.374 1
1 1199 . 18 1 1 A 98 98 GLU CA C 98 55.988 57.971 -1.983 1
1 1200 . 18 1 1 A 98 98 GLU CB C 98 30.989 31.756 -0.767 1
1 1 . 19 1 1 A 2 2 ALA HA H 2 4.102 4.739 -0.637 1
1 5 . 19 1 1 A 2 2 ALA CA C 2 51.775 50.433 1.342 1
1 6 . 19 1 1 A 2 2 ALA CB C 2 19.665 22.460 -2.795 1
1 7 . 19 1 1 A 3 3 LYS HA H 3 4.329 4.410 -0.081 1
1 15 . 19 1 1 A 3 3 LYS C C 3 176.086 175.211 0.875 1
1 16 . 19 1 1 A 3 3 LYS CA C 3 56.354 56.433 -0.079 1
1 17 . 19 1 1 A 3 3 LYS CB C 3 33.325 32.568 0.757 1
1 21 . 19 1 1 A 4 4 ALA H H 4 8.515 7.942 0.573 1
1 22 . 19 1 1 A 4 4 ALA HA H 4 4.356 4.908 -0.552 1
1 26 . 19 1 1 A 4 4 ALA C C 4 177.307 175.666 1.641 1
1 27 . 19 1 1 A 4 4 ALA CA C 4 52.316 51.364 0.952 1
1 28 . 19 1 1 A 4 4 ALA CB C 4 19.421 23.199 -3.778 1
1 29 . 19 1 1 A 4 4 ALA N N 4 126.866 127.232 -0.366 1
1 30 . 19 1 1 A 5 5 GLN H H 5 8.521 8.720 -0.199 1
1 31 . 19 1 1 A 5 5 GLN HA H 5 4.652 4.916 -0.264 1
1 38 . 19 1 1 A 5 5 GLN C C 5 173.576 173.946 -0.370 1
1 39 . 19 1 1 A 5 5 GLN CA C 5 53.470 52.681 0.789 1
1 40 . 19 1 1 A 5 5 GLN CB C 5 29.457 29.597 -0.140 1
1 42 . 19 1 1 A 5 5 GLN N N 5 122.182 120.945 1.237 1
1 44 . 19 1 1 A 6 6 PRO HA H 6 4.587 5.199 -0.612 1
1 51 . 19 1 1 A 6 6 PRO C C 6 176.481 176.386 0.095 1
1 52 . 19 1 1 A 6 6 PRO CA C 6 63.028 62.153 0.875 1
1 53 . 19 1 1 A 6 6 PRO CB C 6 32.905 31.818 1.087 1
1 56 . 19 1 1 A 7 7 ILE H H 7 8.581 8.734 -0.153 1
1 57 . 19 1 1 A 7 7 ILE HA H 7 4.245 4.354 -0.109 1
1 67 . 19 1 1 A 7 7 ILE C C 7 174.129 174.694 -0.565 1
1 68 . 19 1 1 A 7 7 ILE CA C 7 60.613 60.824 -0.211 1
1 69 . 19 1 1 A 7 7 ILE CB C 7 40.266 36.809 3.457 1
1 73 . 19 1 1 A 7 7 ILE N N 7 120.418 123.640 -3.222 1
1 74 . 19 1 1 A 8 8 GLU H H 8 8.572 8.412 0.160 1
1 75 . 19 1 1 A 8 8 GLU HA H 8 5.363 4.989 0.374 1
1 80 . 19 1 1 A 8 8 GLU C C 8 175.806 175.387 0.419 1
1 81 . 19 1 1 A 8 8 GLU CA C 8 54.749 55.502 -0.753 1
1 82 . 19 1 1 A 8 8 GLU CB C 8 31.505 30.750 0.755 1
1 84 . 19 1 1 A 8 8 GLU N N 8 128.440 128.147 0.293 1
1 85 . 19 1 1 A 9 9 ILE H H 9 8.591 8.972 -0.381 1
1 86 . 19 1 1 A 9 9 ILE HA H 9 4.111 4.490 -0.379 1
1 96 . 19 1 1 A 9 9 ILE C C 9 174.977 176.152 -1.175 1
1 97 . 19 1 1 A 9 9 ILE CA C 9 60.967 60.109 0.858 1
1 98 . 19 1 1 A 9 9 ILE CB C 9 41.559 39.023 2.536 1
1 102 . 19 1 1 A 9 9 ILE N N 9 123.957 128.354 -4.397 1
1 103 . 19 1 1 A 10 10 ALA H H 10 9.398 9.192 0.206 1
1 104 . 19 1 1 A 10 10 ALA HA H 10 4.072 4.086 -0.014 1
1 108 . 19 1 1 A 10 10 ALA C C 10 177.026 176.936 0.090 1
1 109 . 19 1 1 A 10 10 ALA CA C 10 52.646 53.451 -0.805 1
1 110 . 19 1 1 A 10 10 ALA CB C 10 18.121 18.091 0.030 1
1 111 . 19 1 1 A 10 10 ALA N N 10 130.074 131.986 -1.912 1
1 112 . 19 1 1 A 11 11 GLY H H 11 8.958 8.308 0.650 1
1 113 . 19 1 1 A 11 11 GLY HA2 H 11 4.046 3.780 0.266 1
1 114 . 19 1 1 A 11 11 GLY HA3 H 11 3.570 3.800 -0.230 1
1 115 . 19 1 1 A 11 11 GLY C C 11 174.139 174.070 0.069 1
1 116 . 19 1 1 A 11 11 GLY CA C 11 45.467 45.217 0.250 1
1 117 . 19 1 1 A 11 11 GLY N N 11 105.460 102.983 2.477 1
1 118 . 19 1 1 A 12 12 HIS H H 12 8.189 8.115 0.074 1
1 119 . 19 1 1 A 12 12 HIS HA H 12 4.325 4.154 0.171 1
1 124 . 19 1 1 A 12 12 HIS C C 12 173.060 173.840 -0.780 1
1 125 . 19 1 1 A 12 12 HIS CA C 12 54.628 55.645 -1.017 1
1 126 . 19 1 1 A 12 12 HIS CB C 12 30.432 29.018 1.414 1
1 129 . 19 1 1 A 12 12 HIS N N 12 120.216 118.764 1.452 1
1 130 . 19 1 1 A 13 13 GLU H H 13 8.338 8.242 0.096 1
1 131 . 19 1 1 A 13 13 GLU HA H 13 4.659 4.491 0.168 1
1 136 . 19 1 1 A 13 13 GLU C C 13 175.231 175.095 0.136 1
1 137 . 19 1 1 A 13 13 GLU CA C 13 55.147 55.334 -0.187 1
1 138 . 19 1 1 A 13 13 GLU CB C 13 31.218 30.089 1.129 1
1 140 . 19 1 1 A 13 13 GLU N N 13 122.925 123.650 -0.725 1
1 141 . 19 1 1 A 14 14 PHE H H 14 9.117 8.962 0.155 1
1 142 . 19 1 1 A 14 14 PHE HA H 14 4.941 4.869 0.072 1
1 150 . 19 1 1 A 14 14 PHE C C 14 175.179 176.076 -0.897 1
1 151 . 19 1 1 A 14 14 PHE CA C 14 56.302 57.451 -1.149 1
1 152 . 19 1 1 A 14 14 PHE CB C 14 41.499 39.517 1.982 1
1 158 . 19 1 1 A 14 14 PHE N N 14 123.141 125.034 -1.893 1
1 159 . 19 1 1 A 15 15 ALA H H 15 9.393 8.777 0.616 1
1 160 . 19 1 1 A 15 15 ALA HA H 15 4.130 4.339 -0.209 1
1 164 . 19 1 1 A 15 15 ALA C C 15 177.675 177.056 0.619 1
1 165 . 19 1 1 A 15 15 ALA CA C 15 54.880 53.307 1.573 1
1 166 . 19 1 1 A 15 15 ALA CB C 15 18.986 19.006 -0.020 1
1 167 . 19 1 1 A 15 15 ALA N N 15 126.102 127.318 -1.216 1
1 168 . 19 1 1 A 16 16 ARG H H 16 7.756 7.712 0.044 1
1 169 . 19 1 1 A 16 16 ARG HA H 16 4.809 4.668 0.141 1
1 176 . 19 1 1 A 16 16 ARG C C 16 177.344 175.886 1.458 1
1 177 . 19 1 1 A 16 16 ARG CA C 16 53.409 55.771 -2.362 1
1 178 . 19 1 1 A 16 16 ARG CB C 16 33.323 33.784 -0.461 1
1 181 . 19 1 1 A 16 16 ARG N N 16 110.189 117.316 -7.127 1
1 182 . 19 1 1 A 17 17 LYS H H 17 9.303 8.778 0.525 1
1 183 . 19 1 1 A 17 17 LYS HA H 17 3.742 3.903 -0.161 1
1 192 . 19 1 1 A 17 17 LYS C C 17 178.667 177.733 0.934 1
1 193 . 19 1 1 A 17 17 LYS CA C 17 60.663 59.946 0.717 1
1 194 . 19 1 1 A 17 17 LYS CB C 17 32.005 32.065 -0.060 1
1 198 . 19 1 1 A 17 17 LYS N N 17 125.242 125.892 -0.650 1
1 199 . 19 1 1 A 18 18 ALA H H 18 8.777 8.188 0.589 1
1 200 . 19 1 1 A 18 18 ALA HA H 18 4.046 4.125 -0.079 1
1 204 . 19 1 1 A 18 18 ALA C C 18 180.134 179.376 0.758 1
1 205 . 19 1 1 A 18 18 ALA CA C 18 55.181 54.954 0.227 1
1 206 . 19 1 1 A 18 18 ALA CB C 18 18.633 18.275 0.358 1
1 207 . 19 1 1 A 18 18 ALA N N 18 118.670 121.069 -2.399 1
1 208 . 19 1 1 A 19 19 ASP H H 19 7.454 8.328 -0.874 1
1 209 . 19 1 1 A 19 19 ASP HA H 19 4.586 4.427 0.159 1
1 212 . 19 1 1 A 19 19 ASP C C 19 178.469 178.037 0.432 1
1 213 . 19 1 1 A 19 19 ASP CA C 19 57.082 56.791 0.291 1
1 214 . 19 1 1 A 19 19 ASP CB C 19 41.304 41.210 0.094 1
1 215 . 19 1 1 A 19 19 ASP N N 19 117.020 118.720 -1.700 1
1 216 . 19 1 1 A 20 20 ALA H H 20 7.123 7.798 -0.675 1
1 217 . 19 1 1 A 20 20 ALA HA H 20 2.604 2.814 -0.210 1
1 221 . 19 1 1 A 20 20 ALA C C 20 178.706 179.972 -1.266 1
1 222 . 19 1 1 A 20 20 ALA CA C 20 54.453 54.591 -0.138 1
1 223 . 19 1 1 A 20 20 ALA CB C 20 18.199 17.660 0.539 1
1 224 . 19 1 1 A 20 20 ALA N N 20 124.691 121.887 2.804 1
1 225 . 19 1 1 A 21 21 LEU H H 21 7.871 8.244 -0.373 1
1 226 . 19 1 1 A 21 21 LEU HA H 21 4.008 4.092 -0.084 1
1 236 . 19 1 1 A 21 21 LEU C C 21 179.041 179.065 -0.024 1
1 237 . 19 1 1 A 21 21 LEU CA C 21 58.398 58.032 0.366 1
1 238 . 19 1 1 A 21 21 LEU CB C 21 41.382 41.702 -0.320 1
1 242 . 19 1 1 A 21 21 LEU N N 21 116.889 118.646 -1.757 1
1 243 . 19 1 1 A 22 22 ALA H H 22 7.972 8.370 -0.398 1
1 244 . 19 1 1 A 22 22 ALA HA H 22 4.158 4.086 0.072 1
1 248 . 19 1 1 A 22 22 ALA C C 22 179.288 179.433 -0.145 1
1 249 . 19 1 1 A 22 22 ALA CA C 22 55.180 55.174 0.006 1
1 250 . 19 1 1 A 22 22 ALA CB C 22 18.013 18.650 -0.637 1
1 251 . 19 1 1 A 22 22 ALA N N 22 121.219 121.240 -0.021 1
1 252 . 19 1 1 A 23 23 PHE H H 23 7.546 8.459 -0.913 1
1 253 . 19 1 1 A 23 23 PHE HA H 23 4.081 4.012 0.069 1
1 261 . 19 1 1 A 23 23 PHE C C 23 178.515 176.931 1.584 1
1 262 . 19 1 1 A 23 23 PHE CA C 23 61.520 61.680 -0.160 1
1 263 . 19 1 1 A 23 23 PHE CB C 23 40.296 39.346 0.950 1
1 269 . 19 1 1 A 23 23 PHE N N 23 119.034 119.858 -0.824 1
1 270 . 19 1 1 A 24 24 MET H H 24 7.595 8.285 -0.690 1
1 271 . 19 1 1 A 24 24 MET HA H 24 3.768 3.674 0.094 1
1 279 . 19 1 1 A 24 24 MET C C 24 176.037 178.361 -2.324 1
1 280 . 19 1 1 A 24 24 MET CA C 24 59.901 59.352 0.549 1
1 281 . 19 1 1 A 24 24 MET CB C 24 34.008 32.821 1.187 1
1 284 . 19 1 1 A 24 24 MET N N 24 118.377 117.264 1.113 1
1 285 . 19 1 1 A 25 25 LYS H H 25 8.131 8.031 0.100 1
1 286 . 19 1 1 A 25 25 LYS HA H 25 3.747 3.973 -0.226 1
1 295 . 19 1 1 A 25 25 LYS C C 25 178.865 178.520 0.345 1
1 296 . 19 1 1 A 25 25 LYS CA C 25 59.994 59.083 0.911 1
1 297 . 19 1 1 A 25 25 LYS CB C 25 32.365 32.457 -0.092 1
1 301 . 19 1 1 A 25 25 LYS N N 25 121.901 119.858 2.043 1
1 302 . 19 1 1 A 26 26 VAL H H 26 7.986 8.255 -0.269 1
1 303 . 19 1 1 A 26 26 VAL HA H 26 3.515 3.513 0.002 1
1 311 . 19 1 1 A 26 26 VAL C C 26 178.654 178.023 0.631 1
1 312 . 19 1 1 A 26 26 VAL CA C 26 66.337 66.528 -0.191 1
1 313 . 19 1 1 A 26 26 VAL CB C 26 31.302 31.564 -0.262 1
1 316 . 19 1 1 A 26 26 VAL N N 26 119.393 119.881 -0.488 1
1 317 . 19 1 1 A 27 27 MET H H 27 7.232 7.908 -0.676 1
1 318 . 19 1 1 A 27 27 MET HA H 27 3.586 3.968 -0.382 1
1 326 . 19 1 1 A 27 27 MET C C 27 177.564 178.288 -0.724 1
1 327 . 19 1 1 A 27 27 MET CA C 27 59.113 58.038 1.075 1
1 328 . 19 1 1 A 27 27 MET CB C 27 34.025 32.200 1.825 1
1 331 . 19 1 1 A 27 27 MET N N 27 119.647 118.584 1.063 1
1 332 . 19 1 1 A 28 28 LEU H H 28 8.201 8.140 0.061 1
1 333 . 19 1 1 A 28 28 LEU HA H 28 3.733 3.948 -0.215 1
1 343 . 19 1 1 A 28 28 LEU C C 28 178.075 178.522 -0.447 1
1 344 . 19 1 1 A 28 28 LEU CA C 28 57.980 57.866 0.114 1
1 345 . 19 1 1 A 28 28 LEU CB C 28 41.151 41.815 -0.664 1
1 349 . 19 1 1 A 28 28 LEU N N 28 118.420 123.828 -5.408 1
1 350 . 19 1 1 A 29 29 ASN H H 29 7.579 8.028 -0.449 1
1 351 . 19 1 1 A 29 29 ASN HA H 29 4.512 4.580 -0.068 1
1 356 . 19 1 1 A 29 29 ASN C C 29 176.087 177.580 -1.493 1
1 357 . 19 1 1 A 29 29 ASN CA C 29 54.286 55.133 -0.847 1
1 358 . 19 1 1 A 29 29 ASN CB C 29 38.984 38.634 0.350 1
1 359 . 19 1 1 A 29 29 ASN N N 29 112.254 117.182 -4.928 1
1 361 . 19 1 1 A 30 30 ARG H H 30 7.621 7.542 0.079 1
1 362 . 19 1 1 A 30 30 ARG HA H 30 4.169 4.013 0.156 1
1 369 . 19 1 1 A 30 30 ARG C C 30 175.926 176.538 -0.612 1
1 370 . 19 1 1 A 30 30 ARG CA C 30 57.482 58.701 -1.219 1
1 371 . 19 1 1 A 30 30 ARG CB C 30 30.404 30.342 0.062 1
1 374 . 19 1 1 A 30 30 ARG N N 30 118.878 119.682 -0.804 1
1 375 . 19 1 1 A 31 31 TYR H H 31 7.287 7.622 -0.335 1
1 376 . 19 1 1 A 31 31 TYR HA H 31 4.690 4.593 0.097 1
1 383 . 19 1 1 A 31 31 TYR C C 31 174.348 175.909 -1.561 1
1 384 . 19 1 1 A 31 31 TYR CA C 31 58.118 59.166 -1.048 1
1 385 . 19 1 1 A 31 31 TYR CB C 31 43.045 39.375 3.670 1
1 390 . 19 1 1 A 31 31 TYR N N 31 118.414 117.554 0.860 1
1 391 . 19 1 1 A 32 32 ARG H H 32 9.314 9.256 0.058 1
1 392 . 19 1 1 A 32 32 ARG HA H 32 4.913 4.617 0.296 1
1 399 . 19 1 1 A 32 32 ARG C C 32 173.525 176.197 -2.672 1
1 400 . 19 1 1 A 32 32 ARG CA C 32 52.775 54.322 -1.547 1
1 401 . 19 1 1 A 32 32 ARG CB C 32 30.292 29.979 0.313 1
1 404 . 19 1 1 A 32 32 ARG N N 32 121.876 124.136 -2.260 1
1 405 . 19 1 1 A 33 33 PRO HA H 33 3.870 4.579 -0.709 1
1 412 . 19 1 1 A 33 33 PRO C C 33 177.517 177.447 0.070 1
1 413 . 19 1 1 A 33 33 PRO CA C 33 64.332 63.960 0.372 1
1 414 . 19 1 1 A 33 33 PRO CB C 33 31.655 31.993 -0.338 1
1 417 . 19 1 1 A 34 34 GLY H H 34 9.584 8.142 1.442 1
1 418 . 19 1 1 A 34 34 GLY HA2 H 34 4.422 4.031 0.391 1
1 419 . 19 1 1 A 34 34 GLY HA3 H 34 3.725 4.047 -0.322 1
1 420 . 19 1 1 A 34 34 GLY C C 34 174.605 173.142 1.463 1
1 421 . 19 1 1 A 34 34 GLY CA C 34 44.745 45.359 -0.614 1
1 422 . 19 1 1 A 34 34 GLY N N 34 115.669 106.088 9.581 1
1 423 . 19 1 1 A 35 35 ASP H H 35 8.252 7.934 0.318 1
1 424 . 19 1 1 A 35 35 ASP HA H 35 4.691 4.810 -0.119 1
1 427 . 19 1 1 A 35 35 ASP C C 35 175.279 175.707 -0.428 1
1 428 . 19 1 1 A 35 35 ASP CA C 35 55.195 53.522 1.673 1
1 429 . 19 1 1 A 35 35 ASP CB C 35 42.301 42.946 -0.645 1
1 430 . 19 1 1 A 35 35 ASP N N 35 122.076 119.942 2.134 1
1 431 . 19 1 1 A 36 36 ILE H H 36 8.194 8.598 -0.404 1
1 432 . 19 1 1 A 36 36 ILE HA H 36 4.546 4.149 0.397 1
1 442 . 19 1 1 A 36 36 ILE C C 36 176.709 176.195 0.514 1
1 443 . 19 1 1 A 36 36 ILE CA C 36 59.572 60.781 -1.209 1
1 444 . 19 1 1 A 36 36 ILE CB C 36 37.870 37.798 0.072 1
1 448 . 19 1 1 A 36 36 ILE N N 36 120.260 124.207 -3.947 1
1 449 . 19 1 1 A 37 37 VAL H H 37 7.963 8.786 -0.823 1
1 450 . 19 1 1 A 37 37 VAL HA H 37 3.671 3.262 0.409 1
1 458 . 19 1 1 A 37 37 VAL C C 37 176.530 175.912 0.618 1
1 459 . 19 1 1 A 37 37 VAL CA C 37 62.969 62.811 0.158 1
1 460 . 19 1 1 A 37 37 VAL CB C 37 32.201 31.858 0.343 1
1 463 . 19 1 1 A 37 37 VAL N N 37 126.533 127.783 -1.250 1
1 464 . 19 1 1 A 38 38 SER H H 38 8.852 9.011 -0.159 1
1 465 . 19 1 1 A 38 38 SER HA H 38 4.600 4.632 -0.032 1
1 468 . 19 1 1 A 38 38 SER C C 38 174.950 175.567 -0.617 1
1 469 . 19 1 1 A 38 38 SER CA C 38 58.147 58.511 -0.364 1
1 470 . 19 1 1 A 38 38 SER CB C 38 65.224 64.131 1.093 1
1 471 . 19 1 1 A 38 38 SER N N 38 122.752 121.696 1.056 1
1 472 . 19 1 1 A 39 39 THR H H 39 8.870 8.798 0.072 1
1 473 . 19 1 1 A 39 39 THR HA H 39 4.153 4.046 0.107 1
1 478 . 19 1 1 A 39 39 THR C C 39 177.855 176.498 1.357 1
1 479 . 19 1 1 A 39 39 THR CA C 39 66.299 66.641 -0.342 1
1 480 . 19 1 1 A 39 39 THR CB C 39 68.559 68.375 0.184 1
1 482 . 19 1 1 A 39 39 THR N N 39 116.391 120.147 -3.756 1
1 483 . 19 1 1 A 40 40 VAL H H 40 8.018 8.096 -0.078 1
1 484 . 19 1 1 A 40 40 VAL HA H 40 4.028 3.650 0.378 1
1 492 . 19 1 1 A 40 40 VAL C C 40 178.339 177.799 0.540 1
1 493 . 19 1 1 A 40 40 VAL CA C 40 65.776 66.605 -0.829 1
1 494 . 19 1 1 A 40 40 VAL CB C 40 32.139 31.784 0.355 1
1 497 . 19 1 1 A 40 40 VAL N N 40 121.035 122.058 -1.023 1
1 498 . 19 1 1 A 41 41 ASP H H 41 7.610 8.794 -1.184 1
1 499 . 19 1 1 A 41 41 ASP HA H 41 4.570 4.465 0.105 1
1 502 . 19 1 1 A 41 41 ASP C C 41 178.746 180.035 -1.289 1
1 503 . 19 1 1 A 41 41 ASP CA C 41 57.492 57.057 0.435 1
1 504 . 19 1 1 A 41 41 ASP CB C 41 39.740 40.233 -0.493 1
1 505 . 19 1 1 A 41 41 ASP N N 41 124.108 119.414 4.694 1
1 506 . 19 1 1 A 42 42 GLY H H 42 9.363 8.790 0.573 1
1 507 . 19 1 1 A 42 42 GLY HA2 H 42 4.186 3.793 0.393 1
1 508 . 19 1 1 A 42 42 GLY HA3 H 42 3.584 3.996 -0.412 1
1 509 . 19 1 1 A 42 42 GLY C C 42 175.329 176.268 -0.939 1
1 510 . 19 1 1 A 42 42 GLY CA C 42 46.944 47.263 -0.319 1
1 511 . 19 1 1 A 42 42 GLY N N 42 109.572 109.441 0.131 1
1 512 . 19 1 1 A 43 43 ALA H H 43 7.949 8.283 -0.334 1
1 513 . 19 1 1 A 43 43 ALA HA H 43 4.240 4.096 0.144 1
1 517 . 19 1 1 A 43 43 ALA C C 43 180.375 179.286 1.089 1
1 518 . 19 1 1 A 43 43 ALA CA C 43 54.897 54.834 0.063 1
1 519 . 19 1 1 A 43 43 ALA CB C 43 17.895 18.335 -0.440 1
1 520 . 19 1 1 A 43 43 ALA N N 43 123.561 124.638 -1.077 1
1 521 . 19 1 1 A 44 44 PHE H H 44 7.337 8.370 -1.033 1
1 522 . 19 1 1 A 44 44 PHE HA H 44 3.957 4.090 -0.133 1
1 530 . 19 1 1 A 44 44 PHE C C 44 177.252 176.663 0.589 1
1 531 . 19 1 1 A 44 44 PHE CA C 44 61.508 61.562 -0.054 1
1 532 . 19 1 1 A 44 44 PHE CB C 44 38.993 39.249 -0.256 1
1 538 . 19 1 1 A 44 44 PHE N N 44 118.542 120.172 -1.630 1
1 539 . 19 1 1 A 45 45 LEU H H 45 8.301 8.162 0.139 1
1 540 . 19 1 1 A 45 45 LEU HA H 45 3.741 3.658 0.083 1
1 550 . 19 1 1 A 45 45 LEU C C 45 178.847 179.021 -0.174 1
1 551 . 19 1 1 A 45 45 LEU CA C 45 57.643 57.441 0.202 1
1 552 . 19 1 1 A 45 45 LEU CB C 45 41.274 40.895 0.379 1
1 556 . 19 1 1 A 45 45 LEU N N 45 119.345 119.764 -0.419 1
1 557 . 19 1 1 A 46 46 VAL H H 46 8.562 8.284 0.278 1
1 558 . 19 1 1 A 46 46 VAL HA H 46 3.759 3.608 0.151 1
1 566 . 19 1 1 A 46 46 VAL C C 46 177.077 177.447 -0.370 1
1 567 . 19 1 1 A 46 46 VAL CA C 46 67.081 66.948 0.133 1
1 568 . 19 1 1 A 46 46 VAL CB C 46 31.639 31.235 0.404 1
1 571 . 19 1 1 A 46 46 VAL N N 46 118.458 119.816 -1.358 1
1 572 . 19 1 1 A 47 47 GLU H H 47 6.896 8.197 -1.301 1
1 573 . 19 1 1 A 47 47 GLU HA H 47 4.019 4.011 0.008 1
1 578 . 19 1 1 A 47 47 GLU C C 47 179.738 179.370 0.368 1
1 579 . 19 1 1 A 47 47 GLU CA C 47 58.582 59.282 -0.700 1
1 580 . 19 1 1 A 47 47 GLU CB C 47 29.029 29.460 -0.431 1
1 582 . 19 1 1 A 47 47 GLU N N 47 117.916 119.560 -1.644 1
1 583 . 19 1 1 A 48 48 ALA H H 48 8.310 7.969 0.341 1
1 584 . 19 1 1 A 48 48 ALA HA H 48 3.761 4.024 -0.263 1
1 588 . 19 1 1 A 48 48 ALA C C 48 179.636 179.552 0.084 1
1 589 . 19 1 1 A 48 48 ALA CA C 48 55.769 54.389 1.380 1
1 590 . 19 1 1 A 48 48 ALA CB C 48 17.370 17.988 -0.618 1
1 591 . 19 1 1 A 48 48 ALA N N 48 123.600 122.225 1.375 1
1 592 . 19 1 1 A 49 49 LEU H H 49 8.724 7.843 0.881 1
1 593 . 19 1 1 A 49 49 LEU HA H 49 3.924 3.609 0.315 1
1 603 . 19 1 1 A 49 49 LEU C C 49 178.188 178.924 -0.736 1
1 604 . 19 1 1 A 49 49 LEU CA C 49 57.387 56.829 0.558 1
1 605 . 19 1 1 A 49 49 LEU CB C 49 41.780 42.079 -0.299 1
1 609 . 19 1 1 A 49 49 LEU N N 49 119.812 120.853 -1.041 1
1 610 . 19 1 1 A 50 50 LYS H H 50 7.421 7.925 -0.504 1
1 611 . 19 1 1 A 50 50 LYS HA H 50 3.856 4.092 -0.236 1
1 620 . 19 1 1 A 50 50 LYS C C 50 177.592 178.356 -0.764 1
1 621 . 19 1 1 A 50 50 LYS CA C 50 59.345 59.253 0.092 1
1 622 . 19 1 1 A 50 50 LYS CB C 50 32.757 31.953 0.804 1
1 626 . 19 1 1 A 50 50 LYS N N 50 115.568 119.488 -3.920 1
1 627 . 19 1 1 A 51 51 ARG H H 51 7.787 7.660 0.127 1
1 628 . 19 1 1 A 51 51 ARG HA H 51 4.356 4.318 0.038 1
1 635 . 19 1 1 A 51 51 ARG C C 51 176.424 175.269 1.155 1
1 636 . 19 1 1 A 51 51 ARG CA C 51 55.690 55.788 -0.098 1
1 637 . 19 1 1 A 51 51 ARG CB C 51 30.227 30.503 -0.276 1
1 640 . 19 1 1 A 51 51 ARG N N 51 115.686 116.427 -0.741 1
1 641 . 19 1 1 A 52 52 HIS H H 52 8.159 7.278 0.881 1
1 642 . 19 1 1 A 52 52 HIS HA H 52 4.512 4.938 -0.426 1
1 646 . 19 1 1 A 52 52 HIS C C 52 175.409 175.042 0.367 1
1 647 . 19 1 1 A 52 52 HIS CA C 52 56.087 53.807 2.280 1
1 648 . 19 1 1 A 52 52 HIS CB C 52 32.904 31.857 1.047 1
1 650 . 19 1 1 A 52 52 HIS N N 52 125.025 117.267 7.758 1
1 651 . 19 1 1 A 53 53 PRO HA H 53 4.341 4.344 -0.003 1
1 658 . 19 1 1 A 53 53 PRO CA C 53 65.210 65.014 0.196 1
1 659 . 19 1 1 A 53 53 PRO CB C 53 31.791 31.895 -0.104 1
1 662 . 19 1 1 A 54 54 ASP H H 54 8.058 8.561 -0.503 1
1 663 . 19 1 1 A 54 54 ASP HA H 54 5.184 4.774 0.410 1
1 666 . 19 1 1 A 54 54 ASP C C 54 176.079 176.502 -0.423 1
1 667 . 19 1 1 A 54 54 ASP CA C 54 52.778 53.905 -1.127 1
1 668 . 19 1 1 A 54 54 ASP CB C 54 41.573 41.514 0.059 1
1 669 . 19 1 1 A 55 55 ALA H H 55 7.731 7.794 -0.063 1
1 670 . 19 1 1 A 55 55 ALA HA H 55 3.589 3.944 -0.355 1
1 674 . 19 1 1 A 55 55 ALA C C 55 178.550 179.618 -1.068 1
1 675 . 19 1 1 A 55 55 ALA CA C 55 57.024 55.288 1.736 1
1 676 . 19 1 1 A 55 55 ALA CB C 55 20.320 18.680 1.640 1
1 677 . 19 1 1 A 55 55 ALA N N 55 122.261 123.465 -1.204 1
1 678 . 19 1 1 A 56 56 THR H H 56 8.405 7.886 0.519 1
1 679 . 19 1 1 A 56 56 THR HA H 56 3.804 3.925 -0.121 1
1 684 . 19 1 1 A 56 56 THR C C 56 177.743 176.661 1.082 1
1 685 . 19 1 1 A 56 56 THR CA C 56 67.024 65.177 1.847 1
1 686 . 19 1 1 A 56 56 THR CB C 56 68.257 68.727 -0.470 1
1 688 . 19 1 1 A 56 56 THR N N 56 110.600 113.078 -2.478 1
1 689 . 19 1 1 A 57 57 SER H H 57 7.907 7.929 -0.022 1
1 690 . 19 1 1 A 57 57 SER HA H 57 4.251 4.096 0.155 1
1 693 . 19 1 1 A 57 57 SER C C 57 176.547 177.392 -0.845 1
1 694 . 19 1 1 A 57 57 SER CA C 57 60.395 61.540 -1.145 1
1 695 . 19 1 1 A 57 57 SER CB C 57 62.766 63.061 -0.295 1
1 696 . 19 1 1 A 57 57 SER N N 57 117.623 116.322 1.301 1
1 697 . 19 1 1 A 58 58 LYS H H 58 8.180 8.205 -0.025 1
1 698 . 19 1 1 A 58 58 LYS HA H 58 3.687 4.111 -0.424 1
1 707 . 19 1 1 A 58 58 LYS C C 58 178.074 179.338 -1.264 1
1 708 . 19 1 1 A 58 58 LYS CA C 58 58.090 58.795 -0.705 1
1 709 . 19 1 1 A 58 58 LYS CB C 58 32.328 32.014 0.314 1
1 713 . 19 1 1 A 58 58 LYS N N 58 120.772 121.495 -0.723 1
1 714 . 19 1 1 A 59 59 ILE H H 59 8.407 7.752 0.655 1
1 715 . 19 1 1 A 59 59 ILE HA H 59 3.336 3.693 -0.357 1
1 725 . 19 1 1 A 59 59 ILE C C 59 176.705 176.851 -0.146 1
1 726 . 19 1 1 A 59 59 ILE CA C 59 64.224 63.950 0.274 1
1 727 . 19 1 1 A 59 59 ILE CB C 59 38.989 38.318 0.671 1
1 731 . 19 1 1 A 59 59 ILE N N 59 119.024 120.521 -1.497 1
1 732 . 19 1 1 A 60 60 GLY H H 60 7.360 8.165 -0.805 1
1 733 . 19 1 1 A 60 60 GLY HA2 H 60 3.884 3.876 0.008 1
1 734 . 19 1 1 A 60 60 GLY HA3 H 60 3.614 3.879 -0.265 1
1 735 . 19 1 1 A 60 60 GLY C C 60 173.964 174.669 -0.705 1
1 736 . 19 1 1 A 60 60 GLY CA C 60 44.586 46.571 -1.985 1
1 737 . 19 1 1 A 60 60 GLY N N 60 106.081 110.142 -4.061 1
1 738 . 19 1 1 A 61 61 PRO HA H 61 4.486 4.391 0.095 1
1 745 . 19 1 1 A 61 61 PRO C C 61 175.603 176.412 -0.809 1
1 746 . 19 1 1 A 61 61 PRO CA C 61 63.473 65.191 -1.718 1
1 747 . 19 1 1 A 61 61 PRO CB C 61 31.981 31.973 0.008 1
1 750 . 19 1 1 A 62 62 GLY H H 62 7.835 6.815 1.020 1
1 751 . 19 1 1 A 62 62 GLY HA2 H 62 4.378 4.017 0.361 1
1 752 . 19 1 1 A 62 62 GLY HA3 H 62 3.416 4.020 -0.604 1
1 753 . 19 1 1 A 62 62 GLY C C 62 172.596 171.634 0.962 1
1 754 . 19 1 1 A 62 62 GLY CA C 62 44.498 45.602 -1.104 1
1 755 . 19 1 1 A 62 62 GLY N N 62 110.214 102.609 7.605 1
1 756 . 19 1 1 A 63 63 VAL H H 63 8.646 8.826 -0.180 1
1 757 . 19 1 1 A 63 63 VAL HA H 63 3.668 4.012 -0.344 1
1 765 . 19 1 1 A 63 63 VAL C C 63 175.808 175.843 -0.035 1
1 766 . 19 1 1 A 63 63 VAL CA C 63 63.681 62.613 1.068 1
1 767 . 19 1 1 A 63 63 VAL CB C 63 32.863 31.637 1.226 1
1 770 . 19 1 1 A 63 63 VAL N N 63 122.735 121.018 1.717 1
1 771 . 19 1 1 A 64 64 ARG H H 64 9.524 9.190 0.334 1
1 772 . 19 1 1 A 64 64 ARG HA H 64 4.254 4.387 -0.133 1
1 779 . 19 1 1 A 64 64 ARG C C 64 175.574 175.895 -0.321 1
1 780 . 19 1 1 A 64 64 ARG CA C 64 57.310 57.142 0.168 1
1 781 . 19 1 1 A 64 64 ARG CB C 64 31.928 31.488 0.440 1
1 784 . 19 1 1 A 64 64 ARG N N 64 129.782 129.312 0.470 1
1 785 . 19 1 1 A 65 65 ASN H H 65 8.089 7.392 0.697 1
1 786 . 19 1 1 A 65 65 ASN HA H 65 4.662 5.006 -0.344 1
1 791 . 19 1 1 A 65 65 ASN C C 65 171.753 172.098 -0.345 1
1 792 . 19 1 1 A 65 65 ASN CA C 65 53.279 51.974 1.305 1
1 793 . 19 1 1 A 65 65 ASN CB C 65 43.717 39.786 3.931 1
1 794 . 19 1 1 A 65 65 ASN N N 65 114.163 112.707 1.456 1
1 796 . 19 1 1 A 66 66 PHE H H 66 9.064 8.614 0.450 1
1 797 . 19 1 1 A 66 66 PHE HA H 66 5.738 5.576 0.162 1
1 805 . 19 1 1 A 66 66 PHE C C 66 174.834 174.024 0.810 1
1 806 . 19 1 1 A 66 66 PHE CA C 66 56.578 56.215 0.363 1
1 807 . 19 1 1 A 66 66 PHE CB C 66 41.888 43.889 -2.001 1
1 813 . 19 1 1 A 66 66 PHE N N 66 114.774 115.703 -0.929 1
1 814 . 19 1 1 A 67 67 GLU H H 67 9.328 9.157 0.171 1
1 815 . 19 1 1 A 67 67 GLU HA H 67 5.307 5.150 0.157 1
1 820 . 19 1 1 A 67 67 GLU C C 67 174.999 175.301 -0.302 1
1 821 . 19 1 1 A 67 67 GLU CA C 67 54.003 54.664 -0.661 1
1 822 . 19 1 1 A 67 67 GLU CB C 67 35.678 33.613 2.065 1
1 824 . 19 1 1 A 67 67 GLU N N 67 122.005 121.964 0.041 1
1 825 . 19 1 1 A 68 68 VAL H H 68 8.598 8.446 0.152 1
1 826 . 19 1 1 A 68 68 VAL HA H 68 4.859 4.537 0.322 1
1 834 . 19 1 1 A 68 68 VAL C C 68 175.361 174.851 0.510 1
1 835 . 19 1 1 A 68 68 VAL CA C 68 62.102 61.751 0.351 1
1 836 . 19 1 1 A 68 68 VAL CB C 68 32.865 31.800 1.065 1
1 839 . 19 1 1 A 68 68 VAL N N 68 124.692 126.857 -2.165 1
1 840 . 19 1 1 A 69 69 ARG H H 69 8.896 8.790 0.106 1
1 841 . 19 1 1 A 69 69 ARG HA H 69 4.888 5.035 -0.147 1
1 848 . 19 1 1 A 69 69 ARG C C 69 175.469 175.653 -0.184 1
1 849 . 19 1 1 A 69 69 ARG CA C 69 54.384 53.998 0.386 1
1 850 . 19 1 1 A 69 69 ARG CB C 69 34.979 33.856 1.123 1
1 853 . 19 1 1 A 69 69 ARG N N 69 123.599 129.513 -5.914 1
1 854 . 19 1 1 A 70 70 SER H H 70 8.758 9.003 -0.245 1
1 855 . 19 1 1 A 70 70 SER HA H 70 4.511 4.671 -0.160 1
1 858 . 19 1 1 A 70 70 SER C C 70 173.488 173.942 -0.454 1
1 859 . 19 1 1 A 70 70 SER CA C 70 59.858 57.928 1.930 1
1 860 . 19 1 1 A 70 70 SER CB C 70 63.927 63.335 0.592 1
1 861 . 19 1 1 A 70 70 SER N N 70 116.239 117.574 -1.335 1
1 862 . 19 1 1 A 71 71 ALA H H 71 8.456 8.900 -0.444 1
1 863 . 19 1 1 A 71 71 ALA HA H 71 4.688 4.522 0.166 1
1 867 . 19 1 1 A 71 71 ALA C C 71 176.054 177.099 -1.045 1
1 868 . 19 1 1 A 71 71 ALA CA C 71 51.016 53.575 -2.559 1
1 869 . 19 1 1 A 71 71 ALA CB C 71 20.324 20.297 0.027 1
1 870 . 19 1 1 A 71 71 ALA N N 71 128.999 125.451 3.548 1
1 871 . 19 1 1 A 72 72 ASP H H 72 7.968 7.936 0.032 1
1 872 . 19 1 1 A 72 72 ASP HA H 72 4.361 4.739 -0.378 1
1 875 . 19 1 1 A 72 72 ASP C C 72 176.444 176.160 0.284 1
1 876 . 19 1 1 A 72 72 ASP CA C 72 54.732 53.395 1.337 1
1 877 . 19 1 1 A 72 72 ASP CB C 72 41.060 42.105 -1.045 1
1 878 . 19 1 1 A 72 72 ASP N N 72 118.176 117.264 0.912 1
1 879 . 19 1 1 A 73 73 TYR H H 73 8.768 8.604 0.164 1
1 880 . 19 1 1 A 73 73 TYR HA H 73 4.309 4.181 0.128 1
1 887 . 19 1 1 A 73 73 TYR C C 73 176.601 177.241 -0.640 1
1 888 . 19 1 1 A 73 73 TYR CA C 73 58.799 58.387 0.412 1
1 889 . 19 1 1 A 73 73 TYR CB C 73 36.239 37.323 -1.084 1
1 894 . 19 1 1 A 73 73 TYR N N 73 117.846 119.806 -1.960 1
1 895 . 19 1 1 A 74 74 GLY H H 74 8.533 8.747 -0.214 1
1 896 . 19 1 1 A 74 74 GLY HA2 H 74 4.069 3.945 0.124 1
1 897 . 19 1 1 A 74 74 GLY HA3 H 74 3.844 3.965 -0.121 1
1 898 . 19 1 1 A 74 74 GLY C C 74 175.060 173.666 1.394 1
1 899 . 19 1 1 A 74 74 GLY CA C 74 46.117 46.645 -0.528 1
1 900 . 19 1 1 A 74 74 GLY N N 74 108.255 112.944 -4.689 1
1 901 . 19 1 1 A 75 75 THR H H 75 7.534 7.259 0.275 1
1 902 . 19 1 1 A 75 75 THR HA H 75 4.687 5.011 -0.324 1
1 907 . 19 1 1 A 75 75 THR C C 75 173.779 173.469 0.310 1
1 908 . 19 1 1 A 75 75 THR CA C 75 61.115 59.385 1.730 1
1 909 . 19 1 1 A 75 75 THR CB C 75 71.585 72.632 -1.047 1
1 911 . 19 1 1 A 75 75 THR N N 75 111.431 110.537 0.894 1
1 912 . 19 1 1 A 76 76 GLN H H 76 8.590 8.625 -0.035 1
1 913 . 19 1 1 A 76 76 GLN HA H 76 5.238 5.163 0.075 1
1 920 . 19 1 1 A 76 76 GLN C C 76 173.605 174.772 -1.167 1
1 921 . 19 1 1 A 76 76 GLN CA C 76 54.556 54.512 0.044 1
1 922 . 19 1 1 A 76 76 GLN CB C 76 31.657 31.237 0.420 1
1 924 . 19 1 1 A 76 76 GLN N N 76 117.495 120.791 -3.296 1
1 926 . 19 1 1 A 77 77 CYS H H 77 9.058 8.734 0.324 1
1 927 . 19 1 1 A 77 77 CYS HA H 77 4.780 4.777 0.003 1
1 930 . 19 1 1 A 77 77 CYS C C 77 172.371 173.185 -0.814 1
1 931 . 19 1 1 A 77 77 CYS CA C 77 56.886 57.690 -0.804 1
1 932 . 19 1 1 A 77 77 CYS CB C 77 31.492 31.968 -0.476 1
1 933 . 19 1 1 A 77 77 CYS N N 77 114.572 118.316 -3.744 1
1 934 . 19 1 1 A 78 78 PHE H H 78 8.872 8.692 0.180 1
1 935 . 19 1 1 A 78 78 PHE HA H 78 5.419 5.064 0.355 1
1 943 . 19 1 1 A 78 78 PHE CA C 78 58.466 56.467 1.999 1
1 944 . 19 1 1 A 78 78 PHE CB C 78 42.360 39.285 3.075 1
1 950 . 19 1 1 A 78 78 PHE N N 78 120.396 121.011 -0.615 1
1 951 . 19 1 1 A 79 79 TRP H H 79 10.003 9.473 0.530 1
1 952 . 19 1 1 A 79 79 TRP HA H 79 4.907 5.359 -0.452 1
1 961 . 19 1 1 A 79 79 TRP CA C 79 57.535 56.962 0.573 1
1 962 . 19 1 1 A 79 79 TRP CB C 79 30.788 31.156 -0.368 1
1 968 . 19 1 1 A 79 79 TRP N N 79 120.993 125.062 -4.069 1
1 970 . 19 1 1 A 80 80 ILE H H 80 9.669 9.448 0.221 1
1 971 . 19 1 1 A 80 80 ILE HA H 80 3.773 4.060 -0.287 1
1 981 . 19 1 1 A 80 80 ILE C C 80 174.675 175.281 -0.606 1
1 982 . 19 1 1 A 80 80 ILE CA C 80 61.505 60.758 0.747 1
1 983 . 19 1 1 A 80 80 ILE CB C 80 40.765 37.288 3.477 1
1 987 . 19 1 1 A 80 80 ILE N N 80 122.205 125.462 -3.257 1
1 988 . 19 1 1 A 81 81 LEU H H 81 8.489 8.664 -0.175 1
1 989 . 19 1 1 A 81 81 LEU HA H 81 5.037 4.649 0.388 1
1 999 . 19 1 1 A 81 81 LEU C C 81 177.301 176.052 1.249 1
1 1000 . 19 1 1 A 81 81 LEU CA C 81 53.483 54.171 -0.688 1
1 1001 . 19 1 1 A 81 81 LEU CB C 81 40.344 41.286 -0.942 1
1 1005 . 19 1 1 A 81 81 LEU N N 81 127.849 128.990 -1.141 1
1 1006 . 19 1 1 A 82 82 ARG H H 82 8.980 8.544 0.436 1
1 1007 . 19 1 1 A 82 82 ARG HA H 82 5.127 4.388 0.739 1
1 1014 . 19 1 1 A 82 82 ARG C C 82 179.527 177.846 1.681 1
1 1015 . 19 1 1 A 82 82 ARG CA C 82 57.410 56.791 0.619 1
1 1016 . 19 1 1 A 82 82 ARG CB C 82 31.995 30.667 1.328 1
1 1019 . 19 1 1 A 82 82 ARG N N 82 121.829 124.760 -2.931 1
1 1020 . 19 1 1 A 83 83 THR H H 83 8.427 9.034 -0.607 1
1 1021 . 19 1 1 A 83 83 THR HA H 83 3.823 3.886 -0.063 1
1 1026 . 19 1 1 A 83 83 THR C C 83 174.540 176.299 -1.759 1
1 1027 . 19 1 1 A 83 83 THR CA C 83 64.441 65.834 -1.393 1
1 1028 . 19 1 1 A 83 83 THR CB C 83 67.987 68.223 -0.236 1
1 1030 . 19 1 1 A 83 83 THR N N 83 111.631 117.367 -5.736 1
1 1031 . 19 1 1 A 84 84 ASP H H 84 7.431 7.915 -0.484 1
1 1032 . 19 1 1 A 84 84 ASP HA H 84 4.706 4.535 0.171 1
1 1035 . 19 1 1 A 84 84 ASP C C 84 177.092 176.249 0.843 1
1 1036 . 19 1 1 A 84 84 ASP CA C 84 52.983 54.935 -1.952 1
1 1037 . 19 1 1 A 84 84 ASP CB C 84 40.502 41.304 -0.802 1
1 1038 . 19 1 1 A 84 84 ASP N N 84 117.630 121.427 -3.797 1
1 1039 . 19 1 1 A 85 85 GLY H H 85 7.924 7.938 -0.014 1
1 1040 . 19 1 1 A 85 85 GLY HA2 H 85 3.741 3.990 -0.249 1
1 1041 . 19 1 1 A 85 85 GLY HA3 H 85 4.364 3.994 0.370 1
1 1042 . 19 1 1 A 85 85 GLY C C 85 174.007 174.584 -0.577 1
1 1043 . 19 1 1 A 85 85 GLY CA C 85 45.370 45.079 0.291 1
1 1044 . 19 1 1 A 85 85 GLY N N 85 108.078 107.974 0.104 1
1 1045 . 19 1 1 A 86 86 SER H H 86 8.009 7.611 0.398 1
1 1046 . 19 1 1 A 86 86 SER HA H 86 4.563 4.442 0.121 1
1 1049 . 19 1 1 A 86 86 SER C C 86 172.835 174.190 -1.355 1
1 1050 . 19 1 1 A 86 86 SER CA C 86 58.731 59.335 -0.604 1
1 1051 . 19 1 1 A 86 86 SER CB C 86 64.803 63.613 1.190 1
1 1052 . 19 1 1 A 86 86 SER N N 86 117.029 117.673 -0.644 1
1 1053 . 19 1 1 A 87 87 GLU H H 87 8.593 9.127 -0.534 1
1 1054 . 19 1 1 A 87 87 GLU HA H 87 5.921 5.840 0.081 1
1 1059 . 19 1 1 A 87 87 GLU C C 87 175.873 174.860 1.013 1
1 1060 . 19 1 1 A 87 87 GLU CA C 87 54.343 54.449 -0.106 1
1 1061 . 19 1 1 A 87 87 GLU CB C 87 33.925 33.955 -0.030 1
1 1063 . 19 1 1 A 87 87 GLU N N 87 116.585 121.275 -4.690 1
1 1064 . 19 1 1 A 88 88 GLU HA H 88 4.496 4.920 -0.424 1
1 1069 . 19 1 1 A 88 88 GLU CA C 88 55.840 55.132 0.708 1
1 1070 . 19 1 1 A 88 88 GLU CB C 88 34.310 33.698 0.612 1
1 1072 . 19 1 1 A 89 89 ARG H H 89 8.013 8.754 -0.741 1
1 1073 . 19 1 1 A 89 89 ARG HA H 89 3.184 4.678 -1.494 1
1 1080 . 19 1 1 A 89 89 ARG CA C 89 56.576 54.832 1.744 1
1 1081 . 19 1 1 A 89 89 ARG CB C 89 30.462 30.866 -0.404 1
1 1084 . 19 1 1 A 89 89 ARG N N 89 127.945 124.290 3.655 1
1 1085 . 19 1 1 A 90 90 PHE HA H 90 5.021 5.060 -0.039 1
1 1093 . 19 1 1 A 90 90 PHE CA C 90 55.089 55.443 -0.354 1
1 1094 . 19 1 1 A 90 90 PHE CB C 90 40.446 40.435 0.011 1
1 1100 . 19 1 1 A 91 91 SER HA H 91 4.639 4.473 0.166 1
1 1103 . 19 1 1 A 91 91 SER CA C 91 56.242 57.266 -1.024 1
1 1104 . 19 1 1 A 91 91 SER CB C 91 62.621 62.961 -0.340 1
1 1105 . 19 1 1 A 92 92 TYR HA H 92 4.268 4.388 -0.120 1
1 1112 . 19 1 1 A 92 92 TYR C C 92 176.450 176.710 -0.260 1
1 1113 . 19 1 1 A 92 92 TYR CA C 92 59.575 60.964 -1.389 1
1 1114 . 19 1 1 A 92 92 TYR CB C 92 37.283 37.846 -0.563 1
1 1119 . 19 1 1 A 93 93 LYS H H 93 7.405 7.605 -0.200 1
1 1120 . 19 1 1 A 93 93 LYS HA H 93 3.749 3.972 -0.223 1
1 1129 . 19 1 1 A 93 93 LYS C C 93 177.715 177.732 -0.017 1
1 1130 . 19 1 1 A 93 93 LYS CA C 93 58.446 58.605 -0.159 1
1 1131 . 19 1 1 A 93 93 LYS CB C 93 31.822 31.800 0.022 1
1 1135 . 19 1 1 A 93 93 LYS N N 93 120.689 118.913 1.776 1
1 1136 . 19 1 1 A 94 94 LYS H H 94 7.405 7.661 -0.256 1
1 1137 . 19 1 1 A 94 94 LYS HA H 94 4.079 4.232 -0.153 1
1 1146 . 19 1 1 A 94 94 LYS C C 94 176.709 177.329 -0.620 1
1 1147 . 19 1 1 A 94 94 LYS CA C 94 56.479 58.078 -1.599 1
1 1148 . 19 1 1 A 94 94 LYS CB C 94 32.760 32.331 0.429 1
1 1152 . 19 1 1 A 94 94 LYS N N 94 115.712 117.383 -1.671 1
1 1153 . 19 1 1 A 95 95 CYS H H 95 7.537 7.735 -0.198 1
1 1154 . 19 1 1 A 95 95 CYS HA H 95 3.937 4.593 -0.656 1
1 1157 . 19 1 1 A 95 95 CYS C C 95 173.487 174.129 -0.642 1
1 1158 . 19 1 1 A 95 95 CYS CA C 95 61.795 58.387 3.408 1
1 1159 . 19 1 1 A 95 95 CYS CB C 95 27.546 25.816 1.730 1
1 1160 . 19 1 1 A 95 95 CYS N N 95 115.586 118.023 -2.437 1
1 1161 . 19 1 1 A 96 96 VAL HA H 96 4.154 4.247 -0.093 1
1 1169 . 19 1 1 A 96 96 VAL C C 96 175.216 175.656 -0.440 1
1 1170 . 19 1 1 A 96 96 VAL CA C 96 61.916 63.323 -1.407 1
1 1171 . 19 1 1 A 96 96 VAL CB C 96 31.695 33.099 -1.404 1
1 1174 . 19 1 1 A 97 97 LEU H H 97 8.002 7.562 0.440 1
1 1175 . 19 1 1 A 97 97 LEU HA H 97 4.316 4.902 -0.586 1
1 1185 . 19 1 1 A 97 97 LEU C C 97 176.168 175.581 0.587 1
1 1186 . 19 1 1 A 97 97 LEU CA C 97 54.770 53.707 1.063 1
1 1187 . 19 1 1 A 97 97 LEU CB C 97 42.558 46.938 -4.380 1
1 1191 . 19 1 1 A 97 97 LEU N N 97 124.364 119.252 5.112 1
1 1192 . 19 1 1 A 98 98 GLU H H 98 8.345 8.473 -0.128 1
1 1193 . 19 1 1 A 98 98 GLU HA H 98 4.301 4.650 -0.349 1
1 1198 . 19 1 1 A 98 98 GLU C C 98 175.732 176.304 -0.572 1
1 1199 . 19 1 1 A 98 98 GLU CA C 98 55.988 56.096 -0.108 1
1 1200 . 19 1 1 A 98 98 GLU CB C 98 30.989 30.418 0.571 1
1 1 . 20 1 1 A 2 2 ALA HA H 2 4.102 3.942 0.160 1
1 5 . 20 1 1 A 2 2 ALA CA C 2 51.775 52.899 -1.124 1
1 6 . 20 1 1 A 2 2 ALA CB C 2 19.665 17.462 2.203 1
1 7 . 20 1 1 A 3 3 LYS HA H 3 4.329 4.818 -0.489 1
1 15 . 20 1 1 A 3 3 LYS C C 3 176.086 175.158 0.928 1
1 16 . 20 1 1 A 3 3 LYS CA C 3 56.354 54.544 1.810 1
1 17 . 20 1 1 A 3 3 LYS CB C 3 33.325 36.321 -2.996 1
1 21 . 20 1 1 A 4 4 ALA H H 4 8.515 8.402 0.113 1
1 22 . 20 1 1 A 4 4 ALA HA H 4 4.356 4.575 -0.219 1
1 26 . 20 1 1 A 4 4 ALA C C 4 177.307 177.398 -0.091 1
1 27 . 20 1 1 A 4 4 ALA CA C 4 52.316 52.204 0.112 1
1 28 . 20 1 1 A 4 4 ALA CB C 4 19.421 19.369 0.052 1
1 29 . 20 1 1 A 4 4 ALA N N 4 126.866 124.653 2.213 1
1 30 . 20 1 1 A 5 5 GLN H H 5 8.521 8.783 -0.262 1
1 31 . 20 1 1 A 5 5 GLN HA H 5 4.652 5.043 -0.391 1
1 38 . 20 1 1 A 5 5 GLN C C 5 173.576 173.022 0.554 1
1 39 . 20 1 1 A 5 5 GLN CA C 5 53.470 52.776 0.694 1
1 40 . 20 1 1 A 5 5 GLN CB C 5 29.457 31.721 -2.264 1
1 42 . 20 1 1 A 5 5 GLN N N 5 122.182 120.321 1.861 1
1 44 . 20 1 1 A 6 6 PRO HA H 6 4.587 4.835 -0.248 1
1 51 . 20 1 1 A 6 6 PRO C C 6 176.481 176.675 -0.194 1
1 52 . 20 1 1 A 6 6 PRO CA C 6 63.028 63.147 -0.119 1
1 53 . 20 1 1 A 6 6 PRO CB C 6 32.905 32.118 0.787 1
1 56 . 20 1 1 A 7 7 ILE H H 7 8.581 8.534 0.047 1
1 57 . 20 1 1 A 7 7 ILE HA H 7 4.245 4.289 -0.044 1
1 67 . 20 1 1 A 7 7 ILE C C 7 174.129 175.012 -0.883 1
1 68 . 20 1 1 A 7 7 ILE CA C 7 60.613 60.716 -0.103 1
1 69 . 20 1 1 A 7 7 ILE CB C 7 40.266 36.908 3.358 1
1 73 . 20 1 1 A 7 7 ILE N N 7 120.418 124.295 -3.877 1
1 74 . 20 1 1 A 8 8 GLU H H 8 8.572 8.886 -0.314 1
1 75 . 20 1 1 A 8 8 GLU HA H 8 5.363 4.757 0.606 1
1 80 . 20 1 1 A 8 8 GLU C C 8 175.806 175.316 0.490 1
1 81 . 20 1 1 A 8 8 GLU CA C 8 54.749 55.660 -0.911 1
1 82 . 20 1 1 A 8 8 GLU CB C 8 31.505 31.099 0.406 1
1 84 . 20 1 1 A 8 8 GLU N N 8 128.440 128.116 0.324 1
1 85 . 20 1 1 A 9 9 ILE H H 9 8.591 9.062 -0.471 1
1 86 . 20 1 1 A 9 9 ILE HA H 9 4.111 4.427 -0.316 1
1 96 . 20 1 1 A 9 9 ILE C C 9 174.977 176.142 -1.165 1
1 97 . 20 1 1 A 9 9 ILE CA C 9 60.967 60.230 0.737 1
1 98 . 20 1 1 A 9 9 ILE CB C 9 41.559 40.124 1.435 1
1 102 . 20 1 1 A 9 9 ILE N N 9 123.957 127.555 -3.598 1
1 103 . 20 1 1 A 10 10 ALA H H 10 9.398 9.161 0.237 1
1 104 . 20 1 1 A 10 10 ALA HA H 10 4.072 4.072 0.000 1
1 108 . 20 1 1 A 10 10 ALA C C 10 177.026 177.114 -0.088 1
1 109 . 20 1 1 A 10 10 ALA CA C 10 52.646 53.402 -0.756 1
1 110 . 20 1 1 A 10 10 ALA CB C 10 18.121 17.989 0.132 1
1 111 . 20 1 1 A 10 10 ALA N N 10 130.074 131.928 -1.854 1
1 112 . 20 1 1 A 11 11 GLY H H 11 8.958 8.645 0.313 1
1 113 . 20 1 1 A 11 11 GLY HA2 H 11 4.046 3.677 0.369 1
1 114 . 20 1 1 A 11 11 GLY HA3 H 11 3.570 3.707 -0.137 1
1 115 . 20 1 1 A 11 11 GLY C C 11 174.139 173.450 0.689 1
1 116 . 20 1 1 A 11 11 GLY CA C 11 45.467 45.274 0.193 1
1 117 . 20 1 1 A 11 11 GLY N N 11 105.460 103.236 2.224 1
1 118 . 20 1 1 A 12 12 HIS H H 12 8.189 7.952 0.237 1
1 119 . 20 1 1 A 12 12 HIS HA H 12 4.325 4.489 -0.164 1
1 124 . 20 1 1 A 12 12 HIS C C 12 173.060 173.856 -0.796 1
1 125 . 20 1 1 A 12 12 HIS CA C 12 54.628 54.916 -0.288 1
1 126 . 20 1 1 A 12 12 HIS CB C 12 30.432 30.798 -0.366 1
1 129 . 20 1 1 A 12 12 HIS N N 12 120.216 118.304 1.912 1
1 130 . 20 1 1 A 13 13 GLU H H 13 8.338 8.512 -0.174 1
1 131 . 20 1 1 A 13 13 GLU HA H 13 4.659 4.734 -0.075 1
1 136 . 20 1 1 A 13 13 GLU C C 13 175.231 175.481 -0.250 1
1 137 . 20 1 1 A 13 13 GLU CA C 13 55.147 55.441 -0.294 1
1 138 . 20 1 1 A 13 13 GLU CB C 13 31.218 30.734 0.484 1
1 140 . 20 1 1 A 13 13 GLU N N 13 122.925 123.034 -0.109 1
1 141 . 20 1 1 A 14 14 PHE H H 14 9.117 9.187 -0.070 1
1 142 . 20 1 1 A 14 14 PHE HA H 14 4.941 5.029 -0.088 1
1 150 . 20 1 1 A 14 14 PHE C C 14 175.179 176.252 -1.073 1
1 151 . 20 1 1 A 14 14 PHE CA C 14 56.302 56.322 -0.020 1
1 152 . 20 1 1 A 14 14 PHE CB C 14 41.499 41.053 0.446 1
1 158 . 20 1 1 A 14 14 PHE N N 14 123.141 120.286 2.855 1
1 159 . 20 1 1 A 15 15 ALA H H 15 9.393 8.748 0.645 1
1 160 . 20 1 1 A 15 15 ALA HA H 15 4.130 4.153 -0.023 1
1 164 . 20 1 1 A 15 15 ALA C C 15 177.675 177.471 0.204 1
1 165 . 20 1 1 A 15 15 ALA CA C 15 54.880 54.719 0.161 1
1 166 . 20 1 1 A 15 15 ALA CB C 15 18.986 18.853 0.133 1
1 167 . 20 1 1 A 15 15 ALA N N 15 126.102 127.034 -0.932 1
1 168 . 20 1 1 A 16 16 ARG H H 16 7.756 7.539 0.217 1
1 169 . 20 1 1 A 16 16 ARG HA H 16 4.809 4.640 0.169 1
1 176 . 20 1 1 A 16 16 ARG C C 16 177.344 176.109 1.235 1
1 177 . 20 1 1 A 16 16 ARG CA C 16 53.409 54.518 -1.109 1
1 178 . 20 1 1 A 16 16 ARG CB C 16 33.323 32.852 0.471 1
1 181 . 20 1 1 A 16 16 ARG N N 16 110.189 113.668 -3.479 1
1 182 . 20 1 1 A 17 17 LYS H H 17 9.303 8.810 0.493 1
1 183 . 20 1 1 A 17 17 LYS HA H 17 3.742 3.867 -0.125 1
1 192 . 20 1 1 A 17 17 LYS C C 17 178.667 177.810 0.857 1
1 193 . 20 1 1 A 17 17 LYS CA C 17 60.663 60.376 0.287 1
1 194 . 20 1 1 A 17 17 LYS CB C 17 32.005 31.981 0.024 1
1 198 . 20 1 1 A 17 17 LYS N N 17 125.242 120.607 4.635 1
1 199 . 20 1 1 A 18 18 ALA H H 18 8.777 8.011 0.766 1
1 200 . 20 1 1 A 18 18 ALA HA H 18 4.046 4.081 -0.035 1
1 204 . 20 1 1 A 18 18 ALA C C 18 180.134 179.438 0.696 1
1 205 . 20 1 1 A 18 18 ALA CA C 18 55.181 54.745 0.436 1
1 206 . 20 1 1 A 18 18 ALA CB C 18 18.633 18.370 0.263 1
1 207 . 20 1 1 A 18 18 ALA N N 18 118.670 119.980 -1.310 1
1 208 . 20 1 1 A 19 19 ASP H H 19 7.454 8.122 -0.668 1
1 209 . 20 1 1 A 19 19 ASP HA H 19 4.586 4.445 0.141 1
1 212 . 20 1 1 A 19 19 ASP C C 19 178.469 178.160 0.309 1
1 213 . 20 1 1 A 19 19 ASP CA C 19 57.082 56.876 0.206 1
1 214 . 20 1 1 A 19 19 ASP CB C 19 41.304 41.452 -0.148 1
1 215 . 20 1 1 A 19 19 ASP N N 19 117.020 119.126 -2.106 1
1 216 . 20 1 1 A 20 20 ALA H H 20 7.123 7.771 -0.648 1
1 217 . 20 1 1 A 20 20 ALA HA H 20 2.604 2.728 -0.124 1
1 221 . 20 1 1 A 20 20 ALA C C 20 178.706 179.830 -1.124 1
1 222 . 20 1 1 A 20 20 ALA CA C 20 54.453 54.387 0.066 1
1 223 . 20 1 1 A 20 20 ALA CB C 20 18.199 17.742 0.457 1
1 224 . 20 1 1 A 20 20 ALA N N 20 124.691 121.524 3.167 1
1 225 . 20 1 1 A 21 21 LEU H H 21 7.871 8.020 -0.149 1
1 226 . 20 1 1 A 21 21 LEU HA H 21 4.008 4.087 -0.079 1
1 236 . 20 1 1 A 21 21 LEU C C 21 179.041 179.105 -0.064 1
1 237 . 20 1 1 A 21 21 LEU CA C 21 58.398 57.894 0.504 1
1 238 . 20 1 1 A 21 21 LEU CB C 21 41.382 41.417 -0.035 1
1 242 . 20 1 1 A 21 21 LEU N N 21 116.889 119.228 -2.339 1
1 243 . 20 1 1 A 22 22 ALA H H 22 7.972 8.327 -0.355 1
1 244 . 20 1 1 A 22 22 ALA HA H 22 4.158 4.080 0.078 1
1 248 . 20 1 1 A 22 22 ALA C C 22 179.288 178.624 0.664 1
1 249 . 20 1 1 A 22 22 ALA CA C 22 55.180 53.344 1.836 1
1 250 . 20 1 1 A 22 22 ALA CB C 22 18.013 18.566 -0.553 1
1 251 . 20 1 1 A 22 22 ALA N N 22 121.219 121.198 0.021 1
1 252 . 20 1 1 A 23 23 PHE H H 23 7.546 8.095 -0.549 1
1 253 . 20 1 1 A 23 23 PHE HA H 23 4.081 4.049 0.032 1
1 261 . 20 1 1 A 23 23 PHE C C 23 178.515 176.678 1.837 1
1 262 . 20 1 1 A 23 23 PHE CA C 23 61.520 61.270 0.250 1
1 263 . 20 1 1 A 23 23 PHE CB C 23 40.296 39.021 1.275 1
1 269 . 20 1 1 A 23 23 PHE N N 23 119.034 119.805 -0.771 1
1 270 . 20 1 1 A 24 24 MET H H 24 7.595 8.220 -0.625 1
1 271 . 20 1 1 A 24 24 MET HA H 24 3.768 4.289 -0.521 1
1 279 . 20 1 1 A 24 24 MET C C 24 176.037 178.306 -2.269 1
1 280 . 20 1 1 A 24 24 MET CA C 24 59.901 58.313 1.588 1
1 281 . 20 1 1 A 24 24 MET CB C 24 34.008 31.557 2.451 1
1 284 . 20 1 1 A 24 24 MET N N 24 118.377 116.846 1.531 1
1 285 . 20 1 1 A 25 25 LYS H H 25 8.131 7.561 0.570 1
1 286 . 20 1 1 A 25 25 LYS HA H 25 3.747 4.071 -0.324 1
1 295 . 20 1 1 A 25 25 LYS C C 25 178.865 178.564 0.301 1
1 296 . 20 1 1 A 25 25 LYS CA C 25 59.994 59.087 0.907 1
1 297 . 20 1 1 A 25 25 LYS CB C 25 32.365 32.367 -0.002 1
1 301 . 20 1 1 A 25 25 LYS N N 25 121.901 121.033 0.868 1
1 302 . 20 1 1 A 26 26 VAL H H 26 7.986 7.733 0.253 1
1 303 . 20 1 1 A 26 26 VAL HA H 26 3.515 3.457 0.058 1
1 311 . 20 1 1 A 26 26 VAL C C 26 178.654 177.885 0.769 1
1 312 . 20 1 1 A 26 26 VAL CA C 26 66.337 66.643 -0.306 1
1 313 . 20 1 1 A 26 26 VAL CB C 26 31.302 31.330 -0.028 1
1 316 . 20 1 1 A 26 26 VAL N N 26 119.393 119.897 -0.504 1
1 317 . 20 1 1 A 27 27 MET H H 27 7.232 8.106 -0.874 1
1 318 . 20 1 1 A 27 27 MET HA H 27 3.586 3.985 -0.399 1
1 326 . 20 1 1 A 27 27 MET C C 27 177.564 178.255 -0.691 1
1 327 . 20 1 1 A 27 27 MET CA C 27 59.113 58.307 0.806 1
1 328 . 20 1 1 A 27 27 MET CB C 27 34.025 32.064 1.961 1
1 331 . 20 1 1 A 27 27 MET N N 27 119.647 118.920 0.727 1
1 332 . 20 1 1 A 28 28 LEU H H 28 8.201 7.838 0.363 1
1 333 . 20 1 1 A 28 28 LEU HA H 28 3.733 4.101 -0.368 1
1 343 . 20 1 1 A 28 28 LEU C C 28 178.075 178.931 -0.856 1
1 344 . 20 1 1 A 28 28 LEU CA C 28 57.980 57.924 0.056 1
1 345 . 20 1 1 A 28 28 LEU CB C 28 41.151 41.698 -0.547 1
1 349 . 20 1 1 A 28 28 LEU N N 28 118.420 123.810 -5.390 1
1 350 . 20 1 1 A 29 29 ASN H H 29 7.579 8.308 -0.729 1
1 351 . 20 1 1 A 29 29 ASN HA H 29 4.512 4.566 -0.054 1
1 356 . 20 1 1 A 29 29 ASN C C 29 176.087 178.012 -1.925 1
1 357 . 20 1 1 A 29 29 ASN CA C 29 54.286 55.811 -1.525 1
1 358 . 20 1 1 A 29 29 ASN CB C 29 38.984 38.186 0.798 1
1 359 . 20 1 1 A 29 29 ASN N N 29 112.254 117.060 -4.806 1
1 361 . 20 1 1 A 30 30 ARG H H 30 7.621 7.661 -0.040 1
1 362 . 20 1 1 A 30 30 ARG HA H 30 4.169 3.873 0.296 1
1 369 . 20 1 1 A 30 30 ARG C C 30 175.926 176.004 -0.078 1
1 370 . 20 1 1 A 30 30 ARG CA C 30 57.482 58.596 -1.114 1
1 371 . 20 1 1 A 30 30 ARG CB C 30 30.404 30.127 0.277 1
1 374 . 20 1 1 A 30 30 ARG N N 30 118.878 119.479 -0.601 1
1 375 . 20 1 1 A 31 31 TYR H H 31 7.287 7.991 -0.704 1
1 376 . 20 1 1 A 31 31 TYR HA H 31 4.690 4.861 -0.171 1
1 383 . 20 1 1 A 31 31 TYR C C 31 174.348 175.739 -1.391 1
1 384 . 20 1 1 A 31 31 TYR CA C 31 58.118 57.840 0.278 1
1 385 . 20 1 1 A 31 31 TYR CB C 31 43.045 40.654 2.391 1
1 390 . 20 1 1 A 31 31 TYR N N 31 118.414 117.114 1.300 1
1 391 . 20 1 1 A 32 32 ARG H H 32 9.314 8.492 0.822 1
1 392 . 20 1 1 A 32 32 ARG HA H 32 4.913 4.763 0.150 1
1 399 . 20 1 1 A 32 32 ARG C C 32 173.525 176.108 -2.583 1
1 400 . 20 1 1 A 32 32 ARG CA C 32 52.775 53.496 -0.721 1
1 401 . 20 1 1 A 32 32 ARG CB C 32 30.292 30.929 -0.637 1
1 404 . 20 1 1 A 32 32 ARG N N 32 121.876 121.736 0.140 1
1 405 . 20 1 1 A 33 33 PRO HA H 33 3.870 4.406 -0.536 1
1 412 . 20 1 1 A 33 33 PRO C C 33 177.517 176.986 0.531 1
1 413 . 20 1 1 A 33 33 PRO CA C 33 64.332 63.855 0.477 1
1 414 . 20 1 1 A 33 33 PRO CB C 33 31.655 31.363 0.292 1
1 417 . 20 1 1 A 34 34 GLY H H 34 9.584 8.186 1.398 1
1 418 . 20 1 1 A 34 34 GLY HA2 H 34 4.422 4.087 0.335 1
1 419 . 20 1 1 A 34 34 GLY HA3 H 34 3.725 4.101 -0.376 1
1 420 . 20 1 1 A 34 34 GLY C C 34 174.605 173.354 1.251 1
1 421 . 20 1 1 A 34 34 GLY CA C 34 44.745 45.457 -0.712 1
1 422 . 20 1 1 A 34 34 GLY N N 34 115.669 106.638 9.031 1
1 423 . 20 1 1 A 35 35 ASP H H 35 8.252 7.718 0.534 1
1 424 . 20 1 1 A 35 35 ASP HA H 35 4.691 5.070 -0.379 1
1 427 . 20 1 1 A 35 35 ASP C C 35 175.279 175.342 -0.063 1
1 428 . 20 1 1 A 35 35 ASP CA C 35 55.195 53.670 1.525 1
1 429 . 20 1 1 A 35 35 ASP CB C 35 42.301 42.317 -0.016 1
1 430 . 20 1 1 A 35 35 ASP N N 35 122.076 119.894 2.182 1
1 431 . 20 1 1 A 36 36 ILE H H 36 8.194 8.585 -0.391 1
1 432 . 20 1 1 A 36 36 ILE HA H 36 4.546 4.538 0.008 1
1 442 . 20 1 1 A 36 36 ILE C C 36 176.709 176.056 0.653 1
1 443 . 20 1 1 A 36 36 ILE CA C 36 59.572 59.682 -0.110 1
1 444 . 20 1 1 A 36 36 ILE CB C 36 37.870 40.029 -2.159 1
1 448 . 20 1 1 A 36 36 ILE N N 36 120.260 121.004 -0.744 1
1 449 . 20 1 1 A 37 37 VAL H H 37 7.963 8.728 -0.765 1
1 450 . 20 1 1 A 37 37 VAL HA H 37 3.671 3.238 0.433 1
1 458 . 20 1 1 A 37 37 VAL C C 37 176.530 176.299 0.231 1
1 459 . 20 1 1 A 37 37 VAL CA C 37 62.969 62.973 -0.004 1
1 460 . 20 1 1 A 37 37 VAL CB C 37 32.201 31.286 0.915 1
1 463 . 20 1 1 A 37 37 VAL N N 37 126.533 127.841 -1.308 1
1 464 . 20 1 1 A 38 38 SER H H 38 8.852 8.991 -0.139 1
1 465 . 20 1 1 A 38 38 SER HA H 38 4.600 4.544 0.056 1
1 468 . 20 1 1 A 38 38 SER C C 38 174.950 175.850 -0.900 1
1 469 . 20 1 1 A 38 38 SER CA C 38 58.147 58.987 -0.840 1
1 470 . 20 1 1 A 38 38 SER CB C 38 65.224 64.379 0.845 1
1 471 . 20 1 1 A 38 38 SER N N 38 122.752 123.128 -0.376 1
1 472 . 20 1 1 A 39 39 THR H H 39 8.870 8.851 0.019 1
1 473 . 20 1 1 A 39 39 THR HA H 39 4.153 4.016 0.137 1
1 478 . 20 1 1 A 39 39 THR C C 39 177.855 176.006 1.849 1
1 479 . 20 1 1 A 39 39 THR CA C 39 66.299 66.803 -0.504 1
1 480 . 20 1 1 A 39 39 THR CB C 39 68.559 69.005 -0.446 1
1 482 . 20 1 1 A 39 39 THR N N 39 116.391 118.259 -1.868 1
1 483 . 20 1 1 A 40 40 VAL H H 40 8.018 8.053 -0.035 1
1 484 . 20 1 1 A 40 40 VAL HA H 40 4.028 3.571 0.457 1
1 492 . 20 1 1 A 40 40 VAL C C 40 178.339 177.682 0.657 1
1 493 . 20 1 1 A 40 40 VAL CA C 40 65.776 66.812 -1.036 1
1 494 . 20 1 1 A 40 40 VAL CB C 40 32.139 31.680 0.459 1
1 497 . 20 1 1 A 40 40 VAL N N 40 121.035 121.873 -0.838 1
1 498 . 20 1 1 A 41 41 ASP H H 41 7.610 8.759 -1.149 1
1 499 . 20 1 1 A 41 41 ASP HA H 41 4.570 4.439 0.131 1
1 502 . 20 1 1 A 41 41 ASP C C 41 178.746 180.014 -1.268 1
1 503 . 20 1 1 A 41 41 ASP CA C 41 57.492 57.061 0.431 1
1 504 . 20 1 1 A 41 41 ASP CB C 41 39.740 40.271 -0.531 1
1 505 . 20 1 1 A 41 41 ASP N N 41 124.108 119.437 4.671 1
1 506 . 20 1 1 A 42 42 GLY H H 42 9.363 8.673 0.690 1
1 507 . 20 1 1 A 42 42 GLY HA2 H 42 4.186 3.697 0.489 1
1 508 . 20 1 1 A 42 42 GLY HA3 H 42 3.584 3.920 -0.336 1
1 509 . 20 1 1 A 42 42 GLY C C 42 175.329 176.183 -0.854 1
1 510 . 20 1 1 A 42 42 GLY CA C 42 46.944 47.203 -0.259 1
1 511 . 20 1 1 A 42 42 GLY N N 42 109.572 109.044 0.528 1
1 512 . 20 1 1 A 43 43 ALA H H 43 7.949 8.331 -0.382 1
1 513 . 20 1 1 A 43 43 ALA HA H 43 4.240 4.063 0.177 1
1 517 . 20 1 1 A 43 43 ALA C C 43 180.375 179.769 0.606 1
1 518 . 20 1 1 A 43 43 ALA CA C 43 54.897 54.738 0.159 1
1 519 . 20 1 1 A 43 43 ALA CB C 43 17.895 18.334 -0.439 1
1 520 . 20 1 1 A 43 43 ALA N N 43 123.561 124.630 -1.069 1
1 521 . 20 1 1 A 44 44 PHE H H 44 7.337 7.872 -0.535 1
1 522 . 20 1 1 A 44 44 PHE HA H 44 3.957 4.253 -0.296 1
1 530 . 20 1 1 A 44 44 PHE C C 44 177.252 176.790 0.462 1
1 531 . 20 1 1 A 44 44 PHE CA C 44 61.508 61.271 0.237 1
1 532 . 20 1 1 A 44 44 PHE CB C 44 38.993 39.015 -0.022 1
1 538 . 20 1 1 A 44 44 PHE N N 44 118.542 120.266 -1.724 1
1 539 . 20 1 1 A 45 45 LEU H H 45 8.301 8.129 0.172 1
1 540 . 20 1 1 A 45 45 LEU HA H 45 3.741 3.669 0.072 1
1 550 . 20 1 1 A 45 45 LEU C C 45 178.847 179.058 -0.211 1
1 551 . 20 1 1 A 45 45 LEU CA C 45 57.643 57.582 0.061 1
1 552 . 20 1 1 A 45 45 LEU CB C 45 41.274 40.484 0.790 1
1 556 . 20 1 1 A 45 45 LEU N N 45 119.345 119.444 -0.099 1
1 557 . 20 1 1 A 46 46 VAL H H 46 8.562 8.069 0.493 1
1 558 . 20 1 1 A 46 46 VAL HA H 46 3.759 3.567 0.192 1
1 566 . 20 1 1 A 46 46 VAL C C 46 177.077 177.153 -0.076 1
1 567 . 20 1 1 A 46 46 VAL CA C 46 67.081 67.093 -0.012 1
1 568 . 20 1 1 A 46 46 VAL CB C 46 31.639 31.520 0.119 1
1 571 . 20 1 1 A 46 46 VAL N N 46 118.458 119.468 -1.010 1
1 572 . 20 1 1 A 47 47 GLU H H 47 6.896 7.899 -1.003 1
1 573 . 20 1 1 A 47 47 GLU HA H 47 4.019 3.973 0.046 1
1 578 . 20 1 1 A 47 47 GLU C C 47 179.738 178.970 0.768 1
1 579 . 20 1 1 A 47 47 GLU CA C 47 58.582 59.371 -0.789 1
1 580 . 20 1 1 A 47 47 GLU CB C 47 29.029 29.284 -0.255 1
1 582 . 20 1 1 A 47 47 GLU N N 47 117.916 119.166 -1.250 1
1 583 . 20 1 1 A 48 48 ALA H H 48 8.310 8.057 0.253 1
1 584 . 20 1 1 A 48 48 ALA HA H 48 3.761 4.003 -0.242 1
1 588 . 20 1 1 A 48 48 ALA C C 48 179.636 179.478 0.158 1
1 589 . 20 1 1 A 48 48 ALA CA C 48 55.769 55.044 0.725 1
1 590 . 20 1 1 A 48 48 ALA CB C 48 17.370 18.283 -0.913 1
1 591 . 20 1 1 A 48 48 ALA N N 48 123.600 122.300 1.300 1
1 592 . 20 1 1 A 49 49 LEU H H 49 8.724 8.078 0.646 1
1 593 . 20 1 1 A 49 49 LEU HA H 49 3.924 3.968 -0.044 1
1 603 . 20 1 1 A 49 49 LEU C C 49 178.188 179.020 -0.832 1
1 604 . 20 1 1 A 49 49 LEU CA C 49 57.387 57.749 -0.362 1
1 605 . 20 1 1 A 49 49 LEU CB C 49 41.780 41.657 0.123 1
1 609 . 20 1 1 A 49 49 LEU N N 49 119.812 120.081 -0.269 1
1 610 . 20 1 1 A 50 50 LYS H H 50 7.421 8.453 -1.032 1
1 611 . 20 1 1 A 50 50 LYS HA H 50 3.856 3.817 0.039 1
1 620 . 20 1 1 A 50 50 LYS C C 50 177.592 179.126 -1.534 1
1 621 . 20 1 1 A 50 50 LYS CA C 50 59.345 60.307 -0.962 1
1 622 . 20 1 1 A 50 50 LYS CB C 50 32.757 32.295 0.462 1
1 626 . 20 1 1 A 50 50 LYS N N 50 115.568 118.752 -3.184 1
1 627 . 20 1 1 A 51 51 ARG H H 51 7.787 8.381 -0.594 1
1 628 . 20 1 1 A 51 51 ARG HA H 51 4.356 4.229 0.127 1
1 635 . 20 1 1 A 51 51 ARG C C 51 176.424 175.812 0.612 1
1 636 . 20 1 1 A 51 51 ARG CA C 51 55.690 57.547 -1.857 1
1 637 . 20 1 1 A 51 51 ARG CB C 51 30.227 29.324 0.903 1
1 640 . 20 1 1 A 51 51 ARG N N 51 115.686 116.924 -1.238 1
1 641 . 20 1 1 A 52 52 HIS H H 52 8.159 7.762 0.397 1
1 642 . 20 1 1 A 52 52 HIS HA H 52 4.512 4.761 -0.249 1
1 646 . 20 1 1 A 52 52 HIS C C 52 175.409 175.331 0.078 1
1 647 . 20 1 1 A 52 52 HIS CA C 52 56.087 54.388 1.699 1
1 648 . 20 1 1 A 52 52 HIS CB C 52 32.904 30.485 2.419 1
1 650 . 20 1 1 A 52 52 HIS N N 52 125.025 120.033 4.992 1
1 651 . 20 1 1 A 53 53 PRO HA H 53 4.341 4.418 -0.077 1
1 658 . 20 1 1 A 53 53 PRO CA C 53 65.210 64.911 0.299 1
1 659 . 20 1 1 A 53 53 PRO CB C 53 31.791 31.966 -0.175 1
1 662 . 20 1 1 A 54 54 ASP H H 54 8.058 8.428 -0.370 1
1 663 . 20 1 1 A 54 54 ASP HA H 54 5.184 5.006 0.178 1
1 666 . 20 1 1 A 54 54 ASP C C 54 176.079 176.418 -0.339 1
1 667 . 20 1 1 A 54 54 ASP CA C 54 52.778 53.761 -0.983 1
1 668 . 20 1 1 A 54 54 ASP CB C 54 41.573 41.764 -0.191 1
1 669 . 20 1 1 A 55 55 ALA H H 55 7.731 7.957 -0.226 1
1 670 . 20 1 1 A 55 55 ALA HA H 55 3.589 4.023 -0.434 1
1 674 . 20 1 1 A 55 55 ALA C C 55 178.550 179.475 -0.925 1
1 675 . 20 1 1 A 55 55 ALA CA C 55 57.024 55.030 1.994 1
1 676 . 20 1 1 A 55 55 ALA CB C 55 20.320 18.537 1.783 1
1 677 . 20 1 1 A 55 55 ALA N N 55 122.261 122.589 -0.328 1
1 678 . 20 1 1 A 56 56 THR H H 56 8.405 8.252 0.153 1
1 679 . 20 1 1 A 56 56 THR HA H 56 3.804 3.912 -0.108 1
1 684 . 20 1 1 A 56 56 THR C C 56 177.743 176.600 1.143 1
1 685 . 20 1 1 A 56 56 THR CA C 56 67.024 65.919 1.105 1
1 686 . 20 1 1 A 56 56 THR CB C 56 68.257 68.861 -0.604 1
1 688 . 20 1 1 A 56 56 THR N N 56 110.600 114.266 -3.666 1
1 689 . 20 1 1 A 57 57 SER H H 57 7.907 8.365 -0.458 1
1 690 . 20 1 1 A 57 57 SER HA H 57 4.251 4.087 0.164 1
1 693 . 20 1 1 A 57 57 SER C C 57 176.547 175.881 0.666 1
1 694 . 20 1 1 A 57 57 SER CA C 57 60.395 61.159 -0.764 1
1 695 . 20 1 1 A 57 57 SER CB C 57 62.766 63.017 -0.251 1
1 696 . 20 1 1 A 57 57 SER N N 57 117.623 116.482 1.141 1
1 697 . 20 1 1 A 58 58 LYS H H 58 8.180 7.959 0.221 1
1 698 . 20 1 1 A 58 58 LYS HA H 58 3.687 4.487 -0.800 1
1 707 . 20 1 1 A 58 58 LYS C C 58 178.074 177.410 0.664 1
1 708 . 20 1 1 A 58 58 LYS CA C 58 58.090 55.951 2.139 1
1 709 . 20 1 1 A 58 58 LYS CB C 58 32.328 32.802 -0.474 1
1 713 . 20 1 1 A 58 58 LYS N N 58 120.772 118.324 2.448 1
1 714 . 20 1 1 A 59 59 ILE H H 59 8.407 7.608 0.799 1
1 715 . 20 1 1 A 59 59 ILE HA H 59 3.336 4.002 -0.666 1
1 725 . 20 1 1 A 59 59 ILE C C 59 176.705 176.988 -0.283 1
1 726 . 20 1 1 A 59 59 ILE CA C 59 64.224 63.245 0.979 1
1 727 . 20 1 1 A 59 59 ILE CB C 59 38.989 38.628 0.361 1
1 731 . 20 1 1 A 59 59 ILE N N 59 119.024 119.391 -0.367 1
1 732 . 20 1 1 A 60 60 GLY H H 60 7.360 7.870 -0.510 1
1 733 . 20 1 1 A 60 60 GLY HA2 H 60 3.884 3.862 0.022 1
1 734 . 20 1 1 A 60 60 GLY HA3 H 60 3.614 3.865 -0.251 1
1 735 . 20 1 1 A 60 60 GLY C C 60 173.964 174.780 -0.816 1
1 736 . 20 1 1 A 60 60 GLY CA C 60 44.586 46.599 -2.013 1
1 737 . 20 1 1 A 60 60 GLY N N 60 106.081 110.223 -4.142 1
1 738 . 20 1 1 A 61 61 PRO HA H 61 4.486 4.432 0.054 1
1 745 . 20 1 1 A 61 61 PRO C C 61 175.603 176.602 -0.999 1
1 746 . 20 1 1 A 61 61 PRO CA C 61 63.473 63.858 -0.385 1
1 747 . 20 1 1 A 61 61 PRO CB C 61 31.981 31.843 0.138 1
1 750 . 20 1 1 A 62 62 GLY H H 62 7.835 7.290 0.545 1
1 751 . 20 1 1 A 62 62 GLY HA2 H 62 4.378 4.076 0.302 1
1 752 . 20 1 1 A 62 62 GLY HA3 H 62 3.416 4.079 -0.663 1
1 753 . 20 1 1 A 62 62 GLY C C 62 172.596 172.779 -0.183 1
1 754 . 20 1 1 A 62 62 GLY CA C 62 44.498 43.938 0.560 1
1 755 . 20 1 1 A 62 62 GLY N N 62 110.214 109.192 1.022 1
1 756 . 20 1 1 A 63 63 VAL H H 63 8.646 8.392 0.254 1
1 757 . 20 1 1 A 63 63 VAL HA H 63 3.668 4.062 -0.394 1
1 765 . 20 1 1 A 63 63 VAL C C 63 175.808 175.814 -0.006 1
1 766 . 20 1 1 A 63 63 VAL CA C 63 63.681 62.470 1.211 1
1 767 . 20 1 1 A 63 63 VAL CB C 63 32.863 31.747 1.116 1
1 770 . 20 1 1 A 63 63 VAL N N 63 122.735 120.522 2.213 1
1 771 . 20 1 1 A 64 64 ARG H H 64 9.524 8.749 0.775 1
1 772 . 20 1 1 A 64 64 ARG HA H 64 4.254 4.260 -0.006 1
1 779 . 20 1 1 A 64 64 ARG C C 64 175.574 175.878 -0.304 1
1 780 . 20 1 1 A 64 64 ARG CA C 64 57.310 57.644 -0.334 1
1 781 . 20 1 1 A 64 64 ARG CB C 64 31.928 31.094 0.834 1
1 784 . 20 1 1 A 64 64 ARG N N 64 129.782 129.665 0.117 1
1 785 . 20 1 1 A 65 65 ASN H H 65 8.089 7.603 0.486 1
1 786 . 20 1 1 A 65 65 ASN HA H 65 4.662 4.885 -0.223 1
1 791 . 20 1 1 A 65 65 ASN C C 65 171.753 172.221 -0.468 1
1 792 . 20 1 1 A 65 65 ASN CA C 65 53.279 52.110 1.169 1
1 793 . 20 1 1 A 65 65 ASN CB C 65 43.717 39.902 3.815 1
1 794 . 20 1 1 A 65 65 ASN N N 65 114.163 112.053 2.110 1
1 796 . 20 1 1 A 66 66 PHE H H 66 9.064 8.696 0.368 1
1 797 . 20 1 1 A 66 66 PHE HA H 66 5.738 5.719 0.019 1
1 805 . 20 1 1 A 66 66 PHE C C 66 174.834 174.269 0.565 1
1 806 . 20 1 1 A 66 66 PHE CA C 66 56.578 56.587 -0.009 1
1 807 . 20 1 1 A 66 66 PHE CB C 66 41.888 42.115 -0.227 1
1 813 . 20 1 1 A 66 66 PHE N N 66 114.774 116.568 -1.794 1
1 814 . 20 1 1 A 67 67 GLU H H 67 9.328 9.297 0.031 1
1 815 . 20 1 1 A 67 67 GLU HA H 67 5.307 5.071 0.236 1
1 820 . 20 1 1 A 67 67 GLU C C 67 174.999 175.634 -0.635 1
1 821 . 20 1 1 A 67 67 GLU CA C 67 54.003 54.908 -0.905 1
1 822 . 20 1 1 A 67 67 GLU CB C 67 35.678 32.569 3.109 1
1 824 . 20 1 1 A 67 67 GLU N N 67 122.005 124.789 -2.784 1
1 825 . 20 1 1 A 68 68 VAL H H 68 8.598 8.833 -0.235 1
1 826 . 20 1 1 A 68 68 VAL HA H 68 4.859 4.620 0.239 1
1 834 . 20 1 1 A 68 68 VAL C C 68 175.361 174.883 0.478 1
1 835 . 20 1 1 A 68 68 VAL CA C 68 62.102 61.830 0.272 1
1 836 . 20 1 1 A 68 68 VAL CB C 68 32.865 31.440 1.425 1
1 839 . 20 1 1 A 68 68 VAL N N 68 124.692 126.488 -1.796 1
1 840 . 20 1 1 A 69 69 ARG H H 69 8.896 9.100 -0.204 1
1 841 . 20 1 1 A 69 69 ARG HA H 69 4.888 4.937 -0.049 1
1 848 . 20 1 1 A 69 69 ARG C C 69 175.469 175.664 -0.195 1
1 849 . 20 1 1 A 69 69 ARG CA C 69 54.384 53.871 0.513 1
1 850 . 20 1 1 A 69 69 ARG CB C 69 34.979 32.665 2.314 1
1 853 . 20 1 1 A 69 69 ARG N N 69 123.599 129.584 -5.985 1
1 854 . 20 1 1 A 70 70 SER H H 70 8.758 8.537 0.221 1
1 855 . 20 1 1 A 70 70 SER HA H 70 4.511 4.518 -0.007 1
1 858 . 20 1 1 A 70 70 SER C C 70 173.488 174.507 -1.019 1
1 859 . 20 1 1 A 70 70 SER CA C 70 59.858 59.164 0.694 1
1 860 . 20 1 1 A 70 70 SER CB C 70 63.927 63.886 0.041 1
1 861 . 20 1 1 A 70 70 SER N N 70 116.239 118.838 -2.599 1
1 862 . 20 1 1 A 71 71 ALA H H 71 8.456 8.731 -0.275 1
1 863 . 20 1 1 A 71 71 ALA HA H 71 4.688 5.025 -0.337 1
1 867 . 20 1 1 A 71 71 ALA C C 71 176.054 177.258 -1.204 1
1 868 . 20 1 1 A 71 71 ALA CA C 71 51.016 51.207 -0.191 1
1 869 . 20 1 1 A 71 71 ALA CB C 71 20.324 22.714 -2.390 1
1 870 . 20 1 1 A 71 71 ALA N N 71 128.999 124.976 4.023 1
1 871 . 20 1 1 A 72 72 ASP H H 72 7.968 9.107 -1.139 1
1 872 . 20 1 1 A 72 72 ASP HA H 72 4.361 4.520 -0.159 1
1 875 . 20 1 1 A 72 72 ASP C C 72 176.444 176.870 -0.426 1
1 876 . 20 1 1 A 72 72 ASP CA C 72 54.732 56.466 -1.734 1
1 877 . 20 1 1 A 72 72 ASP CB C 72 41.060 40.152 0.908 1
1 878 . 20 1 1 A 72 72 ASP N N 72 118.176 123.326 -5.150 1
1 879 . 20 1 1 A 73 73 TYR H H 73 8.768 7.784 0.984 1
1 880 . 20 1 1 A 73 73 TYR HA H 73 4.309 4.582 -0.273 1
1 887 . 20 1 1 A 73 73 TYR C C 73 176.601 175.782 0.819 1
1 888 . 20 1 1 A 73 73 TYR CA C 73 58.799 58.150 0.649 1
1 889 . 20 1 1 A 73 73 TYR CB C 73 36.239 38.724 -2.485 1
1 894 . 20 1 1 A 73 73 TYR N N 73 117.846 116.807 1.039 1
1 895 . 20 1 1 A 74 74 GLY H H 74 8.533 8.138 0.395 1
1 896 . 20 1 1 A 74 74 GLY HA2 H 74 4.069 3.991 0.078 1
1 897 . 20 1 1 A 74 74 GLY HA3 H 74 3.844 4.002 -0.158 1
1 898 . 20 1 1 A 74 74 GLY C C 74 175.060 174.193 0.867 1
1 899 . 20 1 1 A 74 74 GLY CA C 74 46.117 45.286 0.831 1
1 900 . 20 1 1 A 74 74 GLY N N 74 108.255 108.707 -0.452 1
1 901 . 20 1 1 A 75 75 THR H H 75 7.534 7.937 -0.403 1
1 902 . 20 1 1 A 75 75 THR HA H 75 4.687 4.519 0.168 1
1 907 . 20 1 1 A 75 75 THR C C 75 173.779 173.536 0.243 1
1 908 . 20 1 1 A 75 75 THR CA C 75 61.115 61.454 -0.339 1
1 909 . 20 1 1 A 75 75 THR CB C 75 71.585 69.935 1.650 1
1 911 . 20 1 1 A 75 75 THR N N 75 111.431 113.455 -2.024 1
1 912 . 20 1 1 A 76 76 GLN H H 76 8.590 8.359 0.231 1
1 913 . 20 1 1 A 76 76 GLN HA H 76 5.238 4.936 0.302 1
1 920 . 20 1 1 A 76 76 GLN C C 76 173.605 174.097 -0.492 1
1 921 . 20 1 1 A 76 76 GLN CA C 76 54.556 54.318 0.238 1
1 922 . 20 1 1 A 76 76 GLN CB C 76 31.657 31.805 -0.148 1
1 924 . 20 1 1 A 76 76 GLN N N 76 117.495 119.359 -1.864 1
1 926 . 20 1 1 A 77 77 CYS H H 77 9.058 8.890 0.168 1
1 927 . 20 1 1 A 77 77 CYS HA H 77 4.780 4.965 -0.185 1
1 930 . 20 1 1 A 77 77 CYS C C 77 172.371 173.432 -1.061 1
1 931 . 20 1 1 A 77 77 CYS CA C 77 56.886 57.410 -0.524 1
1 932 . 20 1 1 A 77 77 CYS CB C 77 31.492 31.243 0.249 1
1 933 . 20 1 1 A 77 77 CYS N N 77 114.572 118.838 -4.266 1
1 934 . 20 1 1 A 78 78 PHE H H 78 8.872 8.759 0.113 1
1 935 . 20 1 1 A 78 78 PHE HA H 78 5.419 5.344 0.075 1
1 943 . 20 1 1 A 78 78 PHE CA C 78 58.466 57.047 1.419 1
1 944 . 20 1 1 A 78 78 PHE CB C 78 42.360 40.056 2.304 1
1 950 . 20 1 1 A 78 78 PHE N N 78 120.396 123.140 -2.744 1
1 951 . 20 1 1 A 79 79 TRP H H 79 10.003 9.483 0.520 1
1 952 . 20 1 1 A 79 79 TRP HA H 79 4.907 5.244 -0.337 1
1 961 . 20 1 1 A 79 79 TRP CA C 79 57.535 55.635 1.900 1
1 962 . 20 1 1 A 79 79 TRP CB C 79 30.788 32.739 -1.951 1
1 968 . 20 1 1 A 79 79 TRP N N 79 120.993 122.807 -1.814 1
1 970 . 20 1 1 A 80 80 ILE H H 80 9.669 9.634 0.035 1
1 971 . 20 1 1 A 80 80 ILE HA H 80 3.773 4.221 -0.448 1
1 981 . 20 1 1 A 80 80 ILE C C 80 174.675 175.237 -0.562 1
1 982 . 20 1 1 A 80 80 ILE CA C 80 61.505 60.897 0.608 1
1 983 . 20 1 1 A 80 80 ILE CB C 80 40.765 37.251 3.514 1
1 987 . 20 1 1 A 80 80 ILE N N 80 122.205 124.703 -2.498 1
1 988 . 20 1 1 A 81 81 LEU H H 81 8.489 8.711 -0.222 1
1 989 . 20 1 1 A 81 81 LEU HA H 81 5.037 4.700 0.337 1
1 999 . 20 1 1 A 81 81 LEU C C 81 177.301 176.240 1.061 1
1 1000 . 20 1 1 A 81 81 LEU CA C 81 53.483 54.099 -0.616 1
1 1001 . 20 1 1 A 81 81 LEU CB C 81 40.344 42.230 -1.886 1
1 1005 . 20 1 1 A 81 81 LEU N N 81 127.849 129.087 -1.238 1
1 1006 . 20 1 1 A 82 82 ARG H H 82 8.980 8.902 0.078 1
1 1007 . 20 1 1 A 82 82 ARG HA H 82 5.127 4.504 0.623 1
1 1014 . 20 1 1 A 82 82 ARG C C 82 179.527 177.312 2.215 1
1 1015 . 20 1 1 A 82 82 ARG CA C 82 57.410 54.942 2.468 1
1 1016 . 20 1 1 A 82 82 ARG CB C 82 31.995 32.228 -0.233 1
1 1019 . 20 1 1 A 82 82 ARG N N 82 121.829 123.755 -1.926 1
1 1020 . 20 1 1 A 83 83 THR H H 83 8.427 8.970 -0.543 1
1 1021 . 20 1 1 A 83 83 THR HA H 83 3.823 3.914 -0.091 1
1 1026 . 20 1 1 A 83 83 THR C C 83 174.540 176.266 -1.726 1
1 1027 . 20 1 1 A 83 83 THR CA C 83 64.441 65.944 -1.503 1
1 1028 . 20 1 1 A 83 83 THR CB C 83 67.987 68.223 -0.236 1
1 1030 . 20 1 1 A 83 83 THR N N 83 111.631 117.831 -6.200 1
1 1031 . 20 1 1 A 84 84 ASP H H 84 7.431 7.922 -0.491 1
1 1032 . 20 1 1 A 84 84 ASP HA H 84 4.706 4.393 0.313 1
1 1035 . 20 1 1 A 84 84 ASP C C 84 177.092 176.151 0.941 1
1 1036 . 20 1 1 A 84 84 ASP CA C 84 52.983 56.280 -3.297 1
1 1037 . 20 1 1 A 84 84 ASP CB C 84 40.502 41.298 -0.796 1
1 1038 . 20 1 1 A 84 84 ASP N N 84 117.630 122.292 -4.662 1
1 1039 . 20 1 1 A 85 85 GLY H H 85 7.924 7.731 0.193 1
1 1040 . 20 1 1 A 85 85 GLY HA2 H 85 3.741 4.021 -0.280 1
1 1041 . 20 1 1 A 85 85 GLY HA3 H 85 4.364 4.023 0.341 1
1 1042 . 20 1 1 A 85 85 GLY C C 85 174.007 174.872 -0.865 1
1 1043 . 20 1 1 A 85 85 GLY CA C 85 45.370 45.417 -0.047 1
1 1044 . 20 1 1 A 85 85 GLY N N 85 108.078 107.254 0.824 1
1 1045 . 20 1 1 A 86 86 SER H H 86 8.009 7.782 0.227 1
1 1046 . 20 1 1 A 86 86 SER HA H 86 4.563 4.428 0.135 1
1 1049 . 20 1 1 A 86 86 SER C C 86 172.835 174.272 -1.437 1
1 1050 . 20 1 1 A 86 86 SER CA C 86 58.731 59.915 -1.184 1
1 1051 . 20 1 1 A 86 86 SER CB C 86 64.803 63.554 1.249 1
1 1052 . 20 1 1 A 86 86 SER N N 86 117.029 117.592 -0.563 1
1 1053 . 20 1 1 A 87 87 GLU H H 87 8.593 8.653 -0.060 1
1 1054 . 20 1 1 A 87 87 GLU HA H 87 5.921 4.955 0.966 1
1 1059 . 20 1 1 A 87 87 GLU C C 87 175.873 175.423 0.450 1
1 1060 . 20 1 1 A 87 87 GLU CA C 87 54.343 56.014 -1.671 1
1 1061 . 20 1 1 A 87 87 GLU CB C 87 33.925 31.020 2.905 1
1 1063 . 20 1 1 A 87 87 GLU N N 87 116.585 126.342 -9.757 1
1 1064 . 20 1 1 A 88 88 GLU HA H 88 4.496 5.027 -0.531 1
1 1069 . 20 1 1 A 88 88 GLU CA C 88 55.840 54.727 1.113 1
1 1070 . 20 1 1 A 88 88 GLU CB C 88 34.310 33.731 0.579 1
1 1072 . 20 1 1 A 89 89 ARG H H 89 8.013 8.540 -0.527 1
1 1073 . 20 1 1 A 89 89 ARG HA H 89 3.184 4.934 -1.750 1
1 1080 . 20 1 1 A 89 89 ARG CA C 89 56.576 53.907 2.669 1
1 1081 . 20 1 1 A 89 89 ARG CB C 89 30.462 33.557 -3.095 1
1 1084 . 20 1 1 A 89 89 ARG N N 89 127.945 122.303 5.642 1
1 1085 . 20 1 1 A 90 90 PHE HA H 90 5.021 5.349 -0.328 1
1 1093 . 20 1 1 A 90 90 PHE CA C 90 55.089 55.517 -0.428 1
1 1094 . 20 1 1 A 90 90 PHE CB C 90 40.446 42.253 -1.807 1
1 1100 . 20 1 1 A 91 91 SER HA H 91 4.639 4.182 0.457 1
1 1103 . 20 1 1 A 91 91 SER CA C 91 56.242 58.696 -2.454 1
1 1104 . 20 1 1 A 91 91 SER CB C 91 62.621 62.019 0.602 1
1 1105 . 20 1 1 A 92 92 TYR HA H 92 4.268 4.332 -0.064 1
1 1112 . 20 1 1 A 92 92 TYR C C 92 176.450 177.232 -0.782 1
1 1113 . 20 1 1 A 92 92 TYR CA C 92 59.575 60.806 -1.231 1
1 1114 . 20 1 1 A 92 92 TYR CB C 92 37.283 37.847 -0.564 1
1 1119 . 20 1 1 A 93 93 LYS H H 93 7.405 7.757 -0.352 1
1 1120 . 20 1 1 A 93 93 LYS HA H 93 3.749 4.050 -0.301 1
1 1129 . 20 1 1 A 93 93 LYS C C 93 177.715 177.149 0.566 1
1 1130 . 20 1 1 A 93 93 LYS CA C 93 58.446 58.259 0.187 1
1 1131 . 20 1 1 A 93 93 LYS CB C 93 31.822 31.279 0.543 1
1 1135 . 20 1 1 A 93 93 LYS N N 93 120.689 118.312 2.377 1
1 1136 . 20 1 1 A 94 94 LYS H H 94 7.405 7.910 -0.505 1
1 1137 . 20 1 1 A 94 94 LYS HA H 94 4.079 4.488 -0.409 1
1 1146 . 20 1 1 A 94 94 LYS C C 94 176.709 176.144 0.565 1
1 1147 . 20 1 1 A 94 94 LYS CA C 94 56.479 55.416 1.063 1
1 1148 . 20 1 1 A 94 94 LYS CB C 94 32.760 30.296 2.464 1
1 1152 . 20 1 1 A 94 94 LYS N N 94 115.712 117.980 -2.268 1
1 1153 . 20 1 1 A 95 95 CYS H H 95 7.537 8.172 -0.635 1
1 1154 . 20 1 1 A 95 95 CYS HA H 95 3.937 4.885 -0.948 1
1 1157 . 20 1 1 A 95 95 CYS C C 95 173.487 175.485 -1.998 1
1 1158 . 20 1 1 A 95 95 CYS CA C 95 61.795 58.232 3.563 1
1 1159 . 20 1 1 A 95 95 CYS CB C 95 27.546 29.233 -1.687 1
1 1160 . 20 1 1 A 95 95 CYS N N 95 115.586 122.197 -6.611 1
1 1161 . 20 1 1 A 96 96 VAL HA H 96 4.154 3.992 0.162 1
1 1169 . 20 1 1 A 96 96 VAL C C 96 175.216 175.274 -0.058 1
1 1170 . 20 1 1 A 96 96 VAL CA C 96 61.916 64.060 -2.144 1
1 1171 . 20 1 1 A 96 96 VAL CB C 96 31.695 31.828 -0.133 1
1 1174 . 20 1 1 A 97 97 LEU H H 97 8.002 7.648 0.354 1
1 1175 . 20 1 1 A 97 97 LEU HA H 97 4.316 4.917 -0.601 1
1 1185 . 20 1 1 A 97 97 LEU C C 97 176.168 175.156 1.012 1
1 1186 . 20 1 1 A 97 97 LEU CA C 97 54.770 53.646 1.124 1
1 1187 . 20 1 1 A 97 97 LEU CB C 97 42.558 47.359 -4.801 1
1 1191 . 20 1 1 A 97 97 LEU N N 97 124.364 118.874 5.490 1
1 1192 . 20 1 1 A 98 98 GLU H H 98 8.345 8.830 -0.485 1
1 1193 . 20 1 1 A 98 98 GLU HA H 98 4.301 4.847 -0.546 1
1 1198 . 20 1 1 A 98 98 GLU C C 98 175.732 174.778 0.954 1
1 1199 . 20 1 1 A 98 98 GLU CA C 98 55.988 55.190 0.798 1
1 1200 . 20 1 1 A 98 98 GLU CB C 98 30.989 30.263 0.726 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 89 0.995 1
2 1 1 1 "RMS(OBS, PRED)" CA 97 1.152 1
3 1 1 1 "RMS(OBS, PRED)" CB 90 1.367 1
4 1 1 1 "RMS(OBS, PRED)" H 86 0.504 1
5 1 1 1 "RMS(OBS, PRED)" HA 104 0.345 1
6 1 1 1 "RMS(OBS, PRED)" N 84 3.067 1
7 1 2 1 "RMS(OBS, PRED)" C 89 0.903 1
8 1 2 1 "RMS(OBS, PRED)" CA 97 1.023 1
9 1 2 1 "RMS(OBS, PRED)" CB 90 1.142 1
10 1 2 1 "RMS(OBS, PRED)" H 86 0.473 1
11 1 2 1 "RMS(OBS, PRED)" HA 104 0.346 1
12 1 2 1 "RMS(OBS, PRED)" N 84 2.859 1
13 1 3 1 "RMS(OBS, PRED)" C 89 0.942 1
14 1 3 1 "RMS(OBS, PRED)" CA 97 1.197 1
15 1 3 1 "RMS(OBS, PRED)" CB 90 1.387 1
16 1 3 1 "RMS(OBS, PRED)" H 86 0.478 1
17 1 3 1 "RMS(OBS, PRED)" HA 104 0.373 1
18 1 3 1 "RMS(OBS, PRED)" N 84 2.967 1
19 1 4 1 "RMS(OBS, PRED)" C 89 0.934 1
20 1 4 1 "RMS(OBS, PRED)" CA 97 1.179 1
21 1 4 1 "RMS(OBS, PRED)" CB 90 1.195 1
22 1 4 1 "RMS(OBS, PRED)" H 86 0.535 1
23 1 4 1 "RMS(OBS, PRED)" HA 104 0.343 1
24 1 4 1 "RMS(OBS, PRED)" N 84 2.918 1
25 1 5 1 "RMS(OBS, PRED)" C 89 1.046 1
26 1 5 1 "RMS(OBS, PRED)" CA 97 1.307 1
27 1 5 1 "RMS(OBS, PRED)" CB 90 1.305 1
28 1 5 1 "RMS(OBS, PRED)" H 86 0.551 1
29 1 5 1 "RMS(OBS, PRED)" HA 104 0.336 1
30 1 5 1 "RMS(OBS, PRED)" N 84 2.998 1
31 1 6 1 "RMS(OBS, PRED)" C 89 0.945 1
32 1 6 1 "RMS(OBS, PRED)" CA 97 1.229 1
33 1 6 1 "RMS(OBS, PRED)" CB 90 1.250 1
34 1 6 1 "RMS(OBS, PRED)" H 86 0.521 1
35 1 6 1 "RMS(OBS, PRED)" HA 104 0.328 1
36 1 6 1 "RMS(OBS, PRED)" N 84 3.010 1
37 1 7 1 "RMS(OBS, PRED)" C 89 0.931 1
38 1 7 1 "RMS(OBS, PRED)" CA 97 1.214 1
39 1 7 1 "RMS(OBS, PRED)" CB 90 1.267 1
40 1 7 1 "RMS(OBS, PRED)" H 86 0.506 1
41 1 7 1 "RMS(OBS, PRED)" HA 104 0.355 1
42 1 7 1 "RMS(OBS, PRED)" N 84 2.935 1
43 1 8 1 "RMS(OBS, PRED)" C 89 0.915 1
44 1 8 1 "RMS(OBS, PRED)" CA 97 1.098 1
45 1 8 1 "RMS(OBS, PRED)" CB 90 1.409 1
46 1 8 1 "RMS(OBS, PRED)" H 86 0.550 1
47 1 8 1 "RMS(OBS, PRED)" HA 104 0.342 1
48 1 8 1 "RMS(OBS, PRED)" N 84 2.900 1
49 1 9 1 "RMS(OBS, PRED)" C 89 0.984 1
50 1 9 1 "RMS(OBS, PRED)" CA 97 1.247 1
51 1 9 1 "RMS(OBS, PRED)" CB 90 1.377 1
52 1 9 1 "RMS(OBS, PRED)" H 86 0.525 1
53 1 9 1 "RMS(OBS, PRED)" HA 104 0.367 1
54 1 9 1 "RMS(OBS, PRED)" N 84 3.107 1
55 1 10 1 "RMS(OBS, PRED)" C 89 0.962 1
56 1 10 1 "RMS(OBS, PRED)" CA 97 1.078 1
57 1 10 1 "RMS(OBS, PRED)" CB 90 1.303 1
58 1 10 1 "RMS(OBS, PRED)" H 86 0.524 1
59 1 10 1 "RMS(OBS, PRED)" HA 104 0.373 1
60 1 10 1 "RMS(OBS, PRED)" N 84 2.834 1
61 1 11 1 "RMS(OBS, PRED)" C 89 0.895 1
62 1 11 1 "RMS(OBS, PRED)" CA 97 1.159 1
63 1 11 1 "RMS(OBS, PRED)" CB 90 1.307 1
64 1 11 1 "RMS(OBS, PRED)" H 86 0.504 1
65 1 11 1 "RMS(OBS, PRED)" HA 104 0.371 1
66 1 11 1 "RMS(OBS, PRED)" N 84 3.010 1
67 1 12 1 "RMS(OBS, PRED)" C 89 0.880 1
68 1 12 1 "RMS(OBS, PRED)" CA 97 1.179 1
69 1 12 1 "RMS(OBS, PRED)" CB 90 1.324 1
70 1 12 1 "RMS(OBS, PRED)" H 86 0.486 1
71 1 12 1 "RMS(OBS, PRED)" HA 104 0.346 1
72 1 12 1 "RMS(OBS, PRED)" N 84 2.845 1
73 1 13 1 "RMS(OBS, PRED)" C 89 0.926 1
74 1 13 1 "RMS(OBS, PRED)" CA 97 1.219 1
75 1 13 1 "RMS(OBS, PRED)" CB 90 1.444 1
76 1 13 1 "RMS(OBS, PRED)" H 86 0.525 1
77 1 13 1 "RMS(OBS, PRED)" HA 104 0.399 1
78 1 13 1 "RMS(OBS, PRED)" N 84 3.016 1
79 1 14 1 "RMS(OBS, PRED)" C 89 0.911 1
80 1 14 1 "RMS(OBS, PRED)" CA 97 1.142 1
81 1 14 1 "RMS(OBS, PRED)" CB 90 1.303 1
82 1 14 1 "RMS(OBS, PRED)" H 86 0.511 1
83 1 14 1 "RMS(OBS, PRED)" HA 104 0.346 1
84 1 14 1 "RMS(OBS, PRED)" N 84 2.804 1
85 1 15 1 "RMS(OBS, PRED)" C 89 0.899 1
86 1 15 1 "RMS(OBS, PRED)" CA 97 1.106 1
87 1 15 1 "RMS(OBS, PRED)" CB 90 1.269 1
88 1 15 1 "RMS(OBS, PRED)" H 86 0.500 1
89 1 15 1 "RMS(OBS, PRED)" HA 104 0.356 1
90 1 15 1 "RMS(OBS, PRED)" N 84 2.760 1
91 1 16 1 "RMS(OBS, PRED)" C 89 0.872 1
92 1 16 1 "RMS(OBS, PRED)" CA 97 1.085 1
93 1 16 1 "RMS(OBS, PRED)" CB 90 1.334 1
94 1 16 1 "RMS(OBS, PRED)" H 86 0.464 1
95 1 16 1 "RMS(OBS, PRED)" HA 104 0.360 1
96 1 16 1 "RMS(OBS, PRED)" N 84 3.016 1
97 1 17 1 "RMS(OBS, PRED)" C 89 0.897 1
98 1 17 1 "RMS(OBS, PRED)" CA 97 1.087 1
99 1 17 1 "RMS(OBS, PRED)" CB 90 1.328 1
100 1 17 1 "RMS(OBS, PRED)" H 86 0.479 1
101 1 17 1 "RMS(OBS, PRED)" HA 104 0.375 1
102 1 17 1 "RMS(OBS, PRED)" N 84 3.009 1
103 1 18 1 "RMS(OBS, PRED)" C 89 0.990 1
104 1 18 1 "RMS(OBS, PRED)" CA 97 1.252 1
105 1 18 1 "RMS(OBS, PRED)" CB 90 1.460 1
106 1 18 1 "RMS(OBS, PRED)" H 86 0.502 1
107 1 18 1 "RMS(OBS, PRED)" HA 104 0.386 1
108 1 18 1 "RMS(OBS, PRED)" N 84 2.977 1
109 1 19 1 "RMS(OBS, PRED)" C 89 0.917 1
110 1 19 1 "RMS(OBS, PRED)" CA 97 1.085 1
111 1 19 1 "RMS(OBS, PRED)" CB 90 1.357 1
112 1 19 1 "RMS(OBS, PRED)" H 86 0.509 1
113 1 19 1 "RMS(OBS, PRED)" HA 104 0.323 1
114 1 19 1 "RMS(OBS, PRED)" N 84 3.074 1
115 1 20 1 "RMS(OBS, PRED)" C 89 0.950 1
116 1 20 1 "RMS(OBS, PRED)" CA 97 1.150 1
117 1 20 1 "RMS(OBS, PRED)" CB 90 1.515 1
118 1 20 1 "RMS(OBS, PRED)" H 86 0.522 1
119 1 20 1 "RMS(OBS, PRED)" HA 104 0.366 1
120 1 20 1 "RMS(OBS, PRED)" N 84 3.108 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 2 2 ALA HA H 2 4.102 4.537 -0.435 2
1 5 . 1 1 A 2 2 ALA CA C 2 51.775 51.830 -0.055 2
1 6 . 1 1 A 2 2 ALA CB C 2 19.665 19.969 -0.304 2
1 7 . 1 1 A 3 3 LYS HA H 3 4.329 4.577 -0.248 2
1 15 . 1 1 A 3 3 LYS C C 3 176.086 175.706 0.380 2
1 16 . 1 1 A 3 3 LYS CA C 3 56.354 55.854 0.500 2
1 17 . 1 1 A 3 3 LYS CB C 3 33.325 34.077 -0.752 2
1 21 . 1 1 A 4 4 ALA H H 4 8.515 8.103 0.412 2
1 22 . 1 1 A 4 4 ALA HA H 4 4.356 4.498 -0.142 2
1 26 . 1 1 A 4 4 ALA C C 4 177.307 176.557 0.750 2
1 27 . 1 1 A 4 4 ALA CA C 4 52.316 51.649 0.667 2
1 28 . 1 1 A 4 4 ALA CB C 4 19.421 19.677 -0.256 2
1 29 . 1 1 A 4 4 ALA N N 4 126.866 123.771 3.095 2
1 30 . 1 1 A 5 5 GLN H H 5 8.521 8.463 0.058 2
1 31 . 1 1 A 5 5 GLN HA H 5 4.652 4.646 0.006 2
1 38 . 1 1 A 5 5 GLN C C 5 173.576 174.119 -0.543 2
1 39 . 1 1 A 5 5 GLN CA C 5 53.470 54.065 -0.595 2
1 40 . 1 1 A 5 5 GLN CB C 5 29.457 28.905 0.552 2
1 42 . 1 1 A 5 5 GLN N N 5 122.182 119.997 2.185 2
1 44 . 1 1 A 6 6 PRO HA H 6 4.587 4.614 -0.027 2
1 51 . 1 1 A 6 6 PRO C C 6 176.481 176.257 0.224 2
1 52 . 1 1 A 6 6 PRO CA C 6 63.028 62.703 0.325 2
1 53 . 1 1 A 6 6 PRO CB C 6 32.905 32.255 0.650 2
1 56 . 1 1 A 7 7 ILE H H 7 8.581 8.572 0.009 2
1 57 . 1 1 A 7 7 ILE HA H 7 4.245 4.303 -0.058 2
1 67 . 1 1 A 7 7 ILE C C 7 174.129 174.775 -0.646 2
1 68 . 1 1 A 7 7 ILE CA C 7 60.613 60.770 -0.157 2
1 69 . 1 1 A 7 7 ILE CB C 7 40.266 36.934 3.332 2
1 73 . 1 1 A 7 7 ILE N N 7 120.418 123.047 -2.629 2
1 74 . 1 1 A 8 8 GLU H H 8 8.572 8.706 -0.134 2
1 75 . 1 1 A 8 8 GLU HA H 8 5.363 5.061 0.302 2
1 80 . 1 1 A 8 8 GLU C C 8 175.806 175.389 0.417 2
1 81 . 1 1 A 8 8 GLU CA C 8 54.749 55.471 -0.722 2
1 82 . 1 1 A 8 8 GLU CB C 8 31.505 31.138 0.367 2
1 84 . 1 1 A 8 8 GLU N N 8 128.440 128.321 0.119 2
1 85 . 1 1 A 9 9 ILE H H 9 8.591 8.963 -0.372 2
1 86 . 1 1 A 9 9 ILE HA H 9 4.111 4.435 -0.324 2
1 96 . 1 1 A 9 9 ILE C C 9 174.977 176.120 -1.143 2
1 97 . 1 1 A 9 9 ILE CA C 9 60.967 60.146 0.821 2
1 98 . 1 1 A 9 9 ILE CB C 9 41.559 39.867 1.692 2
1 102 . 1 1 A 9 9 ILE N N 9 123.957 127.771 -3.814 2
1 103 . 1 1 A 10 10 ALA H H 10 9.398 9.146 0.252 2
1 104 . 1 1 A 10 10 ALA HA H 10 4.072 4.063 0.009 2
1 108 . 1 1 A 10 10 ALA C C 10 177.026 177.082 -0.056 2
1 109 . 1 1 A 10 10 ALA CA C 10 52.646 53.393 -0.747 2
1 110 . 1 1 A 10 10 ALA CB C 10 18.121 18.006 0.115 2
1 111 . 1 1 A 10 10 ALA N N 10 130.074 131.915 -1.841 2
1 112 . 1 1 A 11 11 GLY H H 11 8.958 8.461 0.497 2
1 113 . 1 1 A 11 11 GLY HA2 H 11 4.046 3.718 0.328 2
1 114 . 1 1 A 11 11 GLY HA3 H 11 3.570 3.757 -0.187 2
1 115 . 1 1 A 11 11 GLY C C 11 174.139 173.890 0.249 2
1 116 . 1 1 A 11 11 GLY CA C 11 45.467 45.302 0.165 2
1 117 . 1 1 A 11 11 GLY N N 11 105.460 103.070 2.390 2
1 118 . 1 1 A 12 12 HIS H H 12 8.189 7.968 0.221 2
1 119 . 1 1 A 12 12 HIS HA H 12 4.325 4.348 -0.023 2
1 124 . 1 1 A 12 12 HIS C C 12 173.060 174.033 -0.973 2
1 125 . 1 1 A 12 12 HIS CA C 12 54.628 55.527 -0.899 2
1 126 . 1 1 A 12 12 HIS CB C 12 30.432 29.993 0.439 2
1 129 . 1 1 A 12 12 HIS N N 12 120.216 118.511 1.705 2
1 130 . 1 1 A 13 13 GLU H H 13 8.338 8.536 -0.198 2
1 131 . 1 1 A 13 13 GLU HA H 13 4.659 4.626 0.033 2
1 136 . 1 1 A 13 13 GLU C C 13 175.231 175.261 -0.030 2
1 137 . 1 1 A 13 13 GLU CA C 13 55.147 55.528 -0.381 2
1 138 . 1 1 A 13 13 GLU CB C 13 31.218 30.480 0.738 2
1 140 . 1 1 A 13 13 GLU N N 13 122.925 123.521 -0.596 2
1 141 . 1 1 A 14 14 PHE H H 14 9.117 9.138 -0.021 2
1 142 . 1 1 A 14 14 PHE HA H 14 4.941 4.959 -0.018 2
1 150 . 1 1 A 14 14 PHE C C 14 175.179 176.210 -1.031 2
1 151 . 1 1 A 14 14 PHE CA C 14 56.302 56.897 -0.595 2
1 152 . 1 1 A 14 14 PHE CB C 14 41.499 40.826 0.673 2
1 158 . 1 1 A 14 14 PHE N N 14 123.141 122.420 0.721 2
1 159 . 1 1 A 15 15 ALA H H 15 9.393 8.747 0.646 2
1 160 . 1 1 A 15 15 ALA HA H 15 4.130 4.277 -0.147 2
1 164 . 1 1 A 15 15 ALA C C 15 177.675 177.318 0.357 2
1 165 . 1 1 A 15 15 ALA CA C 15 54.880 53.995 0.885 2
1 166 . 1 1 A 15 15 ALA CB C 15 18.986 19.318 -0.332 2
1 167 . 1 1 A 15 15 ALA N N 15 126.102 126.108 -0.006 2
1 168 . 1 1 A 16 16 ARG H H 16 7.756 7.691 0.065 2
1 169 . 1 1 A 16 16 ARG HA H 16 4.809 4.701 0.108 2
1 176 . 1 1 A 16 16 ARG C C 16 177.344 176.073 1.271 2
1 177 . 1 1 A 16 16 ARG CA C 16 53.409 54.839 -1.430 2
1 178 . 1 1 A 16 16 ARG CB C 16 33.323 33.029 0.294 2
1 181 . 1 1 A 16 16 ARG N N 16 110.189 115.943 -5.754 2
1 182 . 1 1 A 17 17 LYS H H 17 9.303 8.850 0.453 2
1 183 . 1 1 A 17 17 LYS HA H 17 3.742 3.912 -0.170 2
1 192 . 1 1 A 17 17 LYS C C 17 178.667 177.911 0.756 2
1 193 . 1 1 A 17 17 LYS CA C 17 60.663 59.688 0.975 2
1 194 . 1 1 A 17 17 LYS CB C 17 32.005 32.106 -0.101 2
1 198 . 1 1 A 17 17 LYS N N 17 125.242 123.193 2.049 2
1 199 . 1 1 A 18 18 ALA H H 18 8.777 8.184 0.593 2
1 200 . 1 1 A 18 18 ALA HA H 18 4.046 4.082 -0.036 2
1 204 . 1 1 A 18 18 ALA C C 18 180.134 179.425 0.708 2
1 205 . 1 1 A 18 18 ALA CA C 18 55.181 54.880 0.301 2
1 206 . 1 1 A 18 18 ALA CB C 18 18.633 18.302 0.331 2
1 207 . 1 1 A 18 18 ALA N N 18 118.670 120.940 -2.270 2
1 208 . 1 1 A 19 19 ASP H H 19 7.454 8.162 -0.708 2
1 209 . 1 1 A 19 19 ASP HA H 19 4.586 4.421 0.165 2
1 212 . 1 1 A 19 19 ASP C C 19 178.469 178.104 0.365 2
1 213 . 1 1 A 19 19 ASP CA C 19 57.082 56.774 0.308 2
1 214 . 1 1 A 19 19 ASP CB C 19 41.304 41.256 0.048 2
1 215 . 1 1 A 19 19 ASP N N 19 117.020 118.861 -1.841 2
1 216 . 1 1 A 20 20 ALA H H 20 7.123 7.537 -0.414 2
1 217 . 1 1 A 20 20 ALA HA H 20 2.604 2.883 -0.279 2
1 221 . 1 1 A 20 20 ALA C C 20 178.706 179.913 -1.207 2
1 222 . 1 1 A 20 20 ALA CA C 20 54.453 54.532 -0.079 2
1 223 . 1 1 A 20 20 ALA CB C 20 18.199 17.884 0.315 2
1 224 . 1 1 A 20 20 ALA N N 20 124.691 121.720 2.971 2
1 225 . 1 1 A 21 21 LEU H H 21 7.871 7.997 -0.126 2
1 226 . 1 1 A 21 21 LEU HA H 21 4.008 4.094 -0.086 2
1 236 . 1 1 A 21 21 LEU C C 21 179.041 179.043 -0.002 2
1 237 . 1 1 A 21 21 LEU CA C 21 58.398 58.003 0.395 2
1 238 . 1 1 A 21 21 LEU CB C 21 41.382 41.462 -0.080 2
1 242 . 1 1 A 21 21 LEU N N 21 116.889 118.847 -1.958 2
1 243 . 1 1 A 22 22 ALA H H 22 7.972 8.325 -0.353 2
1 244 . 1 1 A 22 22 ALA HA H 22 4.158 4.104 0.054 2
1 248 . 1 1 A 22 22 ALA C C 22 179.288 179.315 -0.027 2
1 249 . 1 1 A 22 22 ALA CA C 22 55.180 54.863 0.317 2
1 250 . 1 1 A 22 22 ALA CB C 22 18.013 18.541 -0.528 2
1 251 . 1 1 A 22 22 ALA N N 22 121.219 121.389 -0.171 2
1 252 . 1 1 A 23 23 PHE H H 23 7.546 8.286 -0.739 2
1 253 . 1 1 A 23 23 PHE HA H 23 4.081 4.008 0.073 2
1 261 . 1 1 A 23 23 PHE C C 23 178.515 176.856 1.659 2
1 262 . 1 1 A 23 23 PHE CA C 23 61.520 61.518 0.002 2
1 263 . 1 1 A 23 23 PHE CB C 23 40.296 39.259 1.037 2
1 269 . 1 1 A 23 23 PHE N N 23 119.034 119.580 -0.546 2
1 270 . 1 1 A 24 24 MET H H 24 7.595 8.176 -0.581 2
1 271 . 1 1 A 24 24 MET HA H 24 3.768 3.905 -0.137 2
1 279 . 1 1 A 24 24 MET C C 24 176.037 178.377 -2.340 2
1 280 . 1 1 A 24 24 MET CA C 24 59.901 58.726 1.175 2
1 281 . 1 1 A 24 24 MET CB C 24 34.008 32.353 1.655 2
1 284 . 1 1 A 24 24 MET N N 24 118.377 116.939 1.438 2
1 285 . 1 1 A 25 25 LYS H H 25 8.131 7.991 0.140 2
1 286 . 1 1 A 25 25 LYS HA H 25 3.747 4.095 -0.347 2
1 295 . 1 1 A 25 25 LYS C C 25 178.865 178.619 0.247 2
1 296 . 1 1 A 25 25 LYS CA C 25 59.994 59.288 0.706 2
1 297 . 1 1 A 25 25 LYS CB C 25 32.365 32.306 0.059 2
1 301 . 1 1 A 25 25 LYS N N 25 121.901 120.371 1.530 2
1 302 . 1 1 A 26 26 VAL H H 26 7.986 8.116 -0.130 2
1 303 . 1 1 A 26 26 VAL HA H 26 3.515 3.511 0.004 2
1 311 . 1 1 A 26 26 VAL C C 26 178.654 177.873 0.781 2
1 312 . 1 1 A 26 26 VAL CA C 26 66.337 66.575 -0.238 2
1 313 . 1 1 A 26 26 VAL CB C 26 31.302 31.464 -0.162 2
1 316 . 1 1 A 26 26 VAL N N 26 119.393 119.785 -0.392 2
1 317 . 1 1 A 27 27 MET H H 27 7.232 8.007 -0.775 2
1 318 . 1 1 A 27 27 MET HA H 27 3.586 4.035 -0.449 2
1 326 . 1 1 A 27 27 MET C C 27 177.564 178.423 -0.859 2
1 327 . 1 1 A 27 27 MET CA C 27 59.113 58.382 0.731 2
1 328 . 1 1 A 27 27 MET CB C 27 34.025 32.237 1.788 2
1 331 . 1 1 A 27 27 MET N N 27 119.647 118.991 0.656 2
1 332 . 1 1 A 28 28 LEU H H 28 8.201 8.037 0.164 2
1 333 . 1 1 A 28 28 LEU HA H 28 3.733 4.034 -0.301 2
1 343 . 1 1 A 28 28 LEU C C 28 178.075 178.622 -0.547 2
1 344 . 1 1 A 28 28 LEU CA C 28 57.980 58.075 -0.095 2
1 345 . 1 1 A 28 28 LEU CB C 28 41.151 41.380 -0.229 2
1 349 . 1 1 A 28 28 LEU N N 28 118.420 123.433 -5.013 2
1 350 . 1 1 A 29 29 ASN H H 29 7.579 8.211 -0.632 2
1 351 . 1 1 A 29 29 ASN HA H 29 4.512 4.734 -0.222 2
1 356 . 1 1 A 29 29 ASN C C 29 176.087 177.705 -1.618 2
1 357 . 1 1 A 29 29 ASN CA C 29 54.286 55.688 -1.402 2
1 358 . 1 1 A 29 29 ASN CB C 29 38.984 38.177 0.807 2
1 359 . 1 1 A 29 29 ASN N N 29 112.254 116.782 -4.528 2
1 361 . 1 1 A 30 30 ARG H H 30 7.621 7.685 -0.064 2
1 362 . 1 1 A 30 30 ARG HA H 30 4.169 4.005 0.164 2
1 369 . 1 1 A 30 30 ARG C C 30 175.926 175.983 -0.057 2
1 370 . 1 1 A 30 30 ARG CA C 30 57.482 58.051 -0.569 2
1 371 . 1 1 A 30 30 ARG CB C 30 30.404 30.383 0.021 2
1 374 . 1 1 A 30 30 ARG N N 30 118.878 118.749 0.129 2
1 375 . 1 1 A 31 31 TYR H H 31 7.287 7.698 -0.411 2
1 376 . 1 1 A 31 31 TYR HA H 31 4.690 4.810 -0.120 2
1 383 . 1 1 A 31 31 TYR C C 31 174.348 175.724 -1.376 2
1 384 . 1 1 A 31 31 TYR CA C 31 58.118 57.871 0.247 2
1 385 . 1 1 A 31 31 TYR CB C 31 43.045 40.215 2.830 2
1 390 . 1 1 A 31 31 TYR N N 31 118.414 117.462 0.952 2
1 391 . 1 1 A 32 32 ARG H H 32 9.314 8.631 0.683 2
1 392 . 1 1 A 32 32 ARG HA H 32 4.913 4.692 0.221 2
1 399 . 1 1 A 32 32 ARG C C 32 173.525 175.400 -1.875 2
1 400 . 1 1 A 32 32 ARG CA C 32 52.775 53.901 -1.126 2
1 401 . 1 1 A 32 32 ARG CB C 32 30.292 30.306 -0.014 2
1 404 . 1 1 A 32 32 ARG N N 32 121.876 122.386 -0.510 2
1 405 . 1 1 A 33 33 PRO HA H 33 3.870 4.581 -0.711 2
1 412 . 1 1 A 33 33 PRO C C 33 177.517 177.043 0.474 2
1 413 . 1 1 A 33 33 PRO CA C 33 64.332 63.355 0.976 2
1 414 . 1 1 A 33 33 PRO CB C 33 31.655 30.591 1.064 2
1 417 . 1 1 A 34 34 GLY H H 34 9.584 8.282 1.302 2
1 418 . 1 1 A 34 34 GLY HA2 H 34 4.422 4.049 0.373 2
1 419 . 1 1 A 34 34 GLY HA3 H 34 3.725 4.069 -0.344 2
1 420 . 1 1 A 34 34 GLY C C 34 174.605 173.664 0.941 2
1 421 . 1 1 A 34 34 GLY CA C 34 44.745 45.445 -0.700 2
1 422 . 1 1 A 34 34 GLY N N 34 115.669 109.375 6.294 2
1 423 . 1 1 A 35 35 ASP H H 35 8.252 7.849 0.403 2
1 424 . 1 1 A 35 35 ASP HA H 35 4.691 4.975 -0.284 2
1 427 . 1 1 A 35 35 ASP C C 35 175.279 175.404 -0.125 2
1 428 . 1 1 A 35 35 ASP CA C 35 55.195 53.558 1.637 2
1 429 . 1 1 A 35 35 ASP CB C 35 42.301 43.112 -0.811 2
1 430 . 1 1 A 35 35 ASP N N 35 122.076 120.167 1.909 2
1 431 . 1 1 A 36 36 ILE H H 36 8.194 8.624 -0.430 2
1 432 . 1 1 A 36 36 ILE HA H 36 4.546 4.482 0.064 2
1 442 . 1 1 A 36 36 ILE C C 36 176.709 176.264 0.445 2
1 443 . 1 1 A 36 36 ILE CA C 36 59.572 60.254 -0.682 2
1 444 . 1 1 A 36 36 ILE CB C 36 37.870 38.831 -0.961 2
1 448 . 1 1 A 36 36 ILE N N 36 120.260 121.822 -1.562 2
1 449 . 1 1 A 37 37 VAL H H 37 7.963 8.793 -0.830 2
1 450 . 1 1 A 37 37 VAL HA H 37 3.671 3.345 0.326 2
1 458 . 1 1 A 37 37 VAL C C 37 176.530 176.217 0.313 2
1 459 . 1 1 A 37 37 VAL CA C 37 62.969 62.727 0.242 2
1 460 . 1 1 A 37 37 VAL CB C 37 32.201 31.917 0.284 2
1 463 . 1 1 A 37 37 VAL N N 37 126.533 127.595 -1.062 2
1 464 . 1 1 A 38 38 SER H H 38 8.852 8.688 0.164 2
1 465 . 1 1 A 38 38 SER HA H 38 4.600 4.629 -0.029 2
1 468 . 1 1 A 38 38 SER C C 38 174.950 175.782 -0.832 2
1 469 . 1 1 A 38 38 SER CA C 38 58.147 58.477 -0.330 2
1 470 . 1 1 A 38 38 SER CB C 38 65.224 64.559 0.665 2
1 471 . 1 1 A 38 38 SER N N 38 122.752 121.420 1.332 2
1 472 . 1 1 A 39 39 THR H H 39 8.870 8.828 0.042 2
1 473 . 1 1 A 39 39 THR HA H 39 4.153 4.030 0.123 2
1 478 . 1 1 A 39 39 THR C C 39 177.855 176.185 1.670 2
1 479 . 1 1 A 39 39 THR CA C 39 66.299 66.762 -0.463 2
1 480 . 1 1 A 39 39 THR CB C 39 68.559 68.821 -0.262 2
1 482 . 1 1 A 39 39 THR N N 39 116.391 118.398 -2.007 2
1 483 . 1 1 A 40 40 VAL H H 40 8.018 8.105 -0.087 2
1 484 . 1 1 A 40 40 VAL HA H 40 4.028 3.637 0.391 2
1 492 . 1 1 A 40 40 VAL C C 40 178.339 177.536 0.803 2
1 493 . 1 1 A 40 40 VAL CA C 40 65.776 66.754 -0.978 2
1 494 . 1 1 A 40 40 VAL CB C 40 32.139 31.606 0.533 2
1 497 . 1 1 A 40 40 VAL N N 40 121.035 121.766 -0.731 2
1 498 . 1 1 A 41 41 ASP H H 41 7.610 8.687 -1.077 2
1 499 . 1 1 A 41 41 ASP HA H 41 4.570 4.405 0.165 2
1 502 . 1 1 A 41 41 ASP C C 41 178.746 179.868 -1.122 2
1 503 . 1 1 A 41 41 ASP CA C 41 57.492 57.075 0.417 2
1 504 . 1 1 A 41 41 ASP CB C 41 39.740 40.162 -0.422 2
1 505 . 1 1 A 41 41 ASP N N 41 124.108 119.526 4.582 2
1 506 . 1 1 A 42 42 GLY H H 42 9.363 8.650 0.713 2
1 507 . 1 1 A 42 42 GLY HA2 H 42 4.186 3.596 0.590 2
1 508 . 1 1 A 42 42 GLY HA3 H 42 3.584 3.901 -0.317 2
1 509 . 1 1 A 42 42 GLY C C 42 175.329 176.332 -1.003 2
1 510 . 1 1 A 42 42 GLY CA C 42 46.944 47.135 -0.191 2
1 511 . 1 1 A 42 42 GLY N N 42 109.572 109.190 0.382 2
1 512 . 1 1 A 43 43 ALA H H 43 7.949 8.186 -0.237 2
1 513 . 1 1 A 43 43 ALA HA H 43 4.240 4.067 0.173 2
1 517 . 1 1 A 43 43 ALA C C 43 180.375 179.590 0.785 2
1 518 . 1 1 A 43 43 ALA CA C 43 54.897 54.768 0.129 2
1 519 . 1 1 A 43 43 ALA CB C 43 17.895 18.385 -0.490 2
1 520 . 1 1 A 43 43 ALA N N 43 123.561 124.634 -1.073 2
1 521 . 1 1 A 44 44 PHE H H 44 7.337 8.027 -0.690 2
1 522 . 1 1 A 44 44 PHE HA H 44 3.957 4.214 -0.257 2
1 530 . 1 1 A 44 44 PHE C C 44 177.252 176.784 0.468 2
1 531 . 1 1 A 44 44 PHE CA C 44 61.508 61.420 0.088 2
1 532 . 1 1 A 44 44 PHE CB C 44 38.993 39.202 -0.209 2
1 538 . 1 1 A 44 44 PHE N N 44 118.542 120.324 -1.782 2
1 539 . 1 1 A 45 45 LEU H H 45 8.301 8.086 0.215 2
1 540 . 1 1 A 45 45 LEU HA H 45 3.741 3.651 0.090 2
1 550 . 1 1 A 45 45 LEU C C 45 178.847 178.830 0.017 2
1 551 . 1 1 A 45 45 LEU CA C 45 57.643 57.704 -0.061 2
1 552 . 1 1 A 45 45 LEU CB C 45 41.274 40.931 0.343 2
1 556 . 1 1 A 45 45 LEU N N 45 119.345 119.691 -0.346 2
1 557 . 1 1 A 46 46 VAL H H 46 8.562 8.066 0.496 2
1 558 . 1 1 A 46 46 VAL HA H 46 3.759 3.543 0.216 2
1 566 . 1 1 A 46 46 VAL C C 46 177.077 177.242 -0.165 2
1 567 . 1 1 A 46 46 VAL CA C 46 67.081 67.009 0.072 2
1 568 . 1 1 A 46 46 VAL CB C 46 31.639 31.391 0.248 2
1 571 . 1 1 A 46 46 VAL N N 46 118.458 118.855 -0.397 2
1 572 . 1 1 A 47 47 GLU H H 47 6.896 8.058 -1.162 2
1 573 . 1 1 A 47 47 GLU HA H 47 4.019 3.967 0.052 2
1 578 . 1 1 A 47 47 GLU C C 47 179.738 179.009 0.729 2
1 579 . 1 1 A 47 47 GLU CA C 47 58.582 59.275 -0.693 2
1 580 . 1 1 A 47 47 GLU CB C 47 29.029 29.446 -0.417 2
1 582 . 1 1 A 47 47 GLU N N 47 117.916 119.417 -1.501 2
1 583 . 1 1 A 48 48 ALA H H 48 8.310 7.917 0.393 2
1 584 . 1 1 A 48 48 ALA HA H 48 3.761 3.997 -0.236 2
1 588 . 1 1 A 48 48 ALA C C 48 179.636 179.357 0.279 2
1 589 . 1 1 A 48 48 ALA CA C 48 55.769 54.819 0.950 2
1 590 . 1 1 A 48 48 ALA CB C 48 17.370 18.206 -0.836 2
1 591 . 1 1 A 48 48 ALA N N 48 123.600 122.279 1.320 2
1 592 . 1 1 A 49 49 LEU H H 49 8.724 8.002 0.722 2
1 593 . 1 1 A 49 49 LEU HA H 49 3.924 3.964 -0.040 2
1 603 . 1 1 A 49 49 LEU C C 49 178.188 178.848 -0.660 2
1 604 . 1 1 A 49 49 LEU CA C 49 57.387 57.303 0.084 2
1 605 . 1 1 A 49 49 LEU CB C 49 41.780 41.592 0.188 2
1 609 . 1 1 A 49 49 LEU N N 49 119.812 120.242 -0.430 2
1 610 . 1 1 A 50 50 LYS H H 50 7.421 8.140 -0.719 2
1 611 . 1 1 A 50 50 LYS HA H 50 3.856 3.991 -0.135 2
1 620 . 1 1 A 50 50 LYS C C 50 177.592 178.421 -0.829 2
1 621 . 1 1 A 50 50 LYS CA C 50 59.345 59.513 -0.168 2
1 622 . 1 1 A 50 50 LYS CB C 50 32.757 32.106 0.651 2
1 626 . 1 1 A 50 50 LYS N N 50 115.568 118.772 -3.204 2
1 627 . 1 1 A 51 51 ARG H H 51 7.787 7.690 0.097 2
1 628 . 1 1 A 51 51 ARG HA H 51 4.356 4.241 0.115 2
1 635 . 1 1 A 51 51 ARG C C 51 176.424 175.448 0.976 2
1 636 . 1 1 A 51 51 ARG CA C 51 55.690 56.675 -0.985 2
1 637 . 1 1 A 51 51 ARG CB C 51 30.227 30.027 0.200 2
1 640 . 1 1 A 51 51 ARG N N 51 115.686 116.352 -0.666 2
1 641 . 1 1 A 52 52 HIS H H 52 8.159 7.579 0.580 2
1 642 . 1 1 A 52 52 HIS HA H 52 4.512 4.843 -0.331 2
1 646 . 1 1 A 52 52 HIS C C 52 175.409 175.080 0.329 2
1 647 . 1 1 A 52 52 HIS CA C 52 56.087 54.042 2.045 2
1 648 . 1 1 A 52 52 HIS CB C 52 32.904 31.124 1.780 2
1 650 . 1 1 A 52 52 HIS N N 52 125.025 118.303 6.722 2
1 651 . 1 1 A 53 53 PRO HA H 53 4.341 4.329 0.012 2
1 658 . 1 1 A 53 53 PRO CA C 53 65.210 65.025 0.185 2
1 659 . 1 1 A 53 53 PRO CB C 53 31.791 31.847 -0.056 2
1 662 . 1 1 A 54 54 ASP H H 54 8.058 8.614 -0.555 2
1 663 . 1 1 A 54 54 ASP HA H 54 5.184 4.645 0.539 2
1 666 . 1 1 A 54 54 ASP C C 54 176.079 177.259 -1.180 2
1 667 . 1 1 A 54 54 ASP CA C 54 52.778 54.682 -1.904 2
1 668 . 1 1 A 54 54 ASP CB C 54 41.573 40.697 0.876 2
1 669 . 1 1 A 55 55 ALA H H 55 7.731 7.964 -0.233 2
1 670 . 1 1 A 55 55 ALA HA H 55 3.589 4.038 -0.449 2
1 674 . 1 1 A 55 55 ALA C C 55 178.550 179.650 -1.100 2
1 675 . 1 1 A 55 55 ALA CA C 55 57.024 55.101 1.923 2
1 676 . 1 1 A 55 55 ALA CB C 55 20.320 18.685 1.635 2
1 677 . 1 1 A 55 55 ALA N N 55 122.261 123.198 -0.937 2
1 678 . 1 1 A 56 56 THR H H 56 8.405 8.174 0.231 2
1 679 . 1 1 A 56 56 THR HA H 56 3.804 3.904 -0.100 2
1 684 . 1 1 A 56 56 THR C C 56 177.743 176.834 0.909 2
1 685 . 1 1 A 56 56 THR CA C 56 67.024 65.521 1.503 2
1 686 . 1 1 A 56 56 THR CB C 56 68.257 68.899 -0.642 2
1 688 . 1 1 A 56 56 THR N N 56 110.600 113.617 -3.017 2
1 689 . 1 1 A 57 57 SER H H 57 7.907 7.984 -0.077 2
1 690 . 1 1 A 57 57 SER HA H 57 4.251 4.193 0.058 2
1 693 . 1 1 A 57 57 SER C C 57 176.547 176.248 0.299 2
1 694 . 1 1 A 57 57 SER CA C 57 60.395 61.290 -0.895 2
1 695 . 1 1 A 57 57 SER CB C 57 62.766 62.974 -0.208 2
1 696 . 1 1 A 57 57 SER N N 57 117.623 116.624 0.999 2
1 697 . 1 1 A 58 58 LYS H H 58 8.180 7.744 0.436 2
1 698 . 1 1 A 58 58 LYS HA H 58 3.687 4.226 -0.539 2
1 707 . 1 1 A 58 58 LYS C C 58 178.074 178.167 -0.093 2
1 708 . 1 1 A 58 58 LYS CA C 58 58.090 57.607 0.483 2
1 709 . 1 1 A 58 58 LYS CB C 58 32.328 32.321 0.007 2
1 713 . 1 1 A 58 58 LYS N N 58 120.772 120.067 0.705 2
1 714 . 1 1 A 59 59 ILE H H 59 8.407 7.896 0.511 2
1 715 . 1 1 A 59 59 ILE HA H 59 3.336 3.979 -0.643 2
1 725 . 1 1 A 59 59 ILE C C 59 176.705 176.963 -0.258 2
1 726 . 1 1 A 59 59 ILE CA C 59 64.224 63.194 1.030 2
1 727 . 1 1 A 59 59 ILE CB C 59 38.989 38.581 0.408 2
1 731 . 1 1 A 59 59 ILE N N 59 119.024 118.379 0.645 2
1 732 . 1 1 A 60 60 GLY H H 60 7.360 8.025 -0.665 2
1 733 . 1 1 A 60 60 GLY HA2 H 60 3.884 3.894 -0.010 2
1 734 . 1 1 A 60 60 GLY HA3 H 60 3.614 3.897 -0.283 2
1 735 . 1 1 A 60 60 GLY C C 60 173.964 174.745 -0.781 2
1 736 . 1 1 A 60 60 GLY CA C 60 44.586 46.396 -1.810 2
1 737 . 1 1 A 60 60 GLY N N 60 106.081 109.967 -3.886 2
1 738 . 1 1 A 61 61 PRO HA H 61 4.486 4.435 0.051 2
1 745 . 1 1 A 61 61 PRO C C 61 175.603 176.423 -0.820 2
1 746 . 1 1 A 61 61 PRO CA C 61 63.473 64.128 -0.655 2
1 747 . 1 1 A 61 61 PRO CB C 61 31.981 32.023 -0.042 2
1 750 . 1 1 A 62 62 GLY H H 62 7.835 7.067 0.768 2
1 751 . 1 1 A 62 62 GLY HA2 H 62 4.378 4.026 0.352 2
1 752 . 1 1 A 62 62 GLY HA3 H 62 3.416 4.028 -0.612 2
1 753 . 1 1 A 62 62 GLY C C 62 172.596 171.882 0.714 2
1 754 . 1 1 A 62 62 GLY CA C 62 44.498 45.011 -0.513 2
1 755 . 1 1 A 62 62 GLY N N 62 110.214 106.258 3.956 2
1 756 . 1 1 A 63 63 VAL H H 63 8.646 8.514 0.132 2
1 757 . 1 1 A 63 63 VAL HA H 63 3.668 4.207 -0.539 2
1 765 . 1 1 A 63 63 VAL C C 63 175.808 175.848 -0.040 2
1 766 . 1 1 A 63 63 VAL CA C 63 63.681 62.141 1.540 2
1 767 . 1 1 A 63 63 VAL CB C 63 32.863 32.096 0.767 2
1 770 . 1 1 A 63 63 VAL N N 63 122.735 120.700 2.035 2
1 771 . 1 1 A 64 64 ARG H H 64 9.524 8.983 0.541 2
1 772 . 1 1 A 64 64 ARG HA H 64 4.254 4.290 -0.036 2
1 779 . 1 1 A 64 64 ARG C C 64 175.574 175.888 -0.314 2
1 780 . 1 1 A 64 64 ARG CA C 64 57.310 57.458 -0.148 2
1 781 . 1 1 A 64 64 ARG CB C 64 31.928 31.291 0.637 2
1 784 . 1 1 A 64 64 ARG N N 64 129.782 129.261 0.521 2
1 785 . 1 1 A 65 65 ASN H H 65 8.089 7.302 0.787 2
1 786 . 1 1 A 65 65 ASN HA H 65 4.662 4.957 -0.295 2
1 791 . 1 1 A 65 65 ASN C C 65 171.753 172.129 -0.376 2
1 792 . 1 1 A 65 65 ASN CA C 65 53.279 52.066 1.213 2
1 793 . 1 1 A 65 65 ASN CB C 65 43.717 40.175 3.542 2
1 794 . 1 1 A 65 65 ASN N N 65 114.163 112.388 1.775 2
1 796 . 1 1 A 66 66 PHE H H 66 9.064 8.698 0.366 2
1 797 . 1 1 A 66 66 PHE HA H 66 5.738 5.600 0.138 2
1 805 . 1 1 A 66 66 PHE C C 66 174.834 174.354 0.480 2
1 806 . 1 1 A 66 66 PHE CA C 66 56.578 56.408 0.170 2
1 807 . 1 1 A 66 66 PHE CB C 66 41.888 42.782 -0.894 2
1 813 . 1 1 A 66 66 PHE N N 66 114.774 116.617 -1.843 2
1 814 . 1 1 A 67 67 GLU H H 67 9.328 9.207 0.121 2
1 815 . 1 1 A 67 67 GLU HA H 67 5.307 5.127 0.180 2
1 820 . 1 1 A 67 67 GLU C C 67 174.999 175.240 -0.241 2
1 821 . 1 1 A 67 67 GLU CA C 67 54.003 54.767 -0.764 2
1 822 . 1 1 A 67 67 GLU CB C 67 35.678 33.358 2.320 2
1 824 . 1 1 A 67 67 GLU N N 67 122.005 122.666 -0.661 2
1 825 . 1 1 A 68 68 VAL H H 68 8.598 8.627 -0.028 2
1 826 . 1 1 A 68 68 VAL HA H 68 4.859 4.583 0.276 2
1 834 . 1 1 A 68 68 VAL C C 68 175.361 175.353 0.008 2
1 835 . 1 1 A 68 68 VAL CA C 68 62.102 61.862 0.240 2
1 836 . 1 1 A 68 68 VAL CB C 68 32.865 31.914 0.951 2
1 839 . 1 1 A 68 68 VAL N N 68 124.692 126.536 -1.844 2
1 840 . 1 1 A 69 69 ARG H H 69 8.896 8.760 0.136 2
1 841 . 1 1 A 69 69 ARG HA H 69 4.888 4.915 -0.027 2
1 848 . 1 1 A 69 69 ARG C C 69 175.469 175.152 0.317 2
1 849 . 1 1 A 69 69 ARG CA C 69 54.384 53.953 0.431 2
1 850 . 1 1 A 69 69 ARG CB C 69 34.979 33.811 1.168 2
1 853 . 1 1 A 69 69 ARG N N 69 123.599 127.911 -4.312 2
1 854 . 1 1 A 70 70 SER H H 70 8.758 8.742 0.016 2
1 855 . 1 1 A 70 70 SER HA H 70 4.511 4.700 -0.189 2
1 858 . 1 1 A 70 70 SER C C 70 173.488 174.185 -0.697 2
1 859 . 1 1 A 70 70 SER CA C 70 59.858 58.168 1.690 2
1 860 . 1 1 A 70 70 SER CB C 70 63.927 64.106 -0.179 2
1 861 . 1 1 A 70 70 SER N N 70 116.239 117.418 -1.179 2
1 862 . 1 1 A 71 71 ALA H H 71 8.456 8.774 -0.318 2
1 863 . 1 1 A 71 71 ALA HA H 71 4.688 4.558 0.130 2
1 867 . 1 1 A 71 71 ALA C C 71 176.054 176.855 -0.801 2
1 868 . 1 1 A 71 71 ALA CA C 71 51.016 53.114 -2.098 2
1 869 . 1 1 A 71 71 ALA CB C 71 20.324 20.727 -0.403 2
1 870 . 1 1 A 71 71 ALA N N 71 128.999 125.010 3.989 2
1 871 . 1 1 A 72 72 ASP H H 72 7.968 8.288 -0.320 2
1 872 . 1 1 A 72 72 ASP HA H 72 4.361 4.636 -0.275 2
1 875 . 1 1 A 72 72 ASP C C 72 176.444 176.077 0.367 2
1 876 . 1 1 A 72 72 ASP CA C 72 54.732 53.934 0.798 2
1 877 . 1 1 A 72 72 ASP CB C 72 41.060 42.126 -1.066 2
1 878 . 1 1 A 72 72 ASP N N 72 118.176 117.464 0.712 2
1 879 . 1 1 A 73 73 TYR H H 73 8.768 8.479 0.289 2
1 880 . 1 1 A 73 73 TYR HA H 73 4.309 4.348 -0.039 2
1 887 . 1 1 A 73 73 TYR C C 73 176.601 176.753 -0.152 2
1 888 . 1 1 A 73 73 TYR CA C 73 58.799 59.406 -0.607 2
1 889 . 1 1 A 73 73 TYR CB C 73 36.239 37.968 -1.729 2
1 894 . 1 1 A 73 73 TYR N N 73 117.846 118.341 -0.495 2
1 895 . 1 1 A 74 74 GLY H H 74 8.533 8.298 0.235 2
1 896 . 1 1 A 74 74 GLY HA2 H 74 4.069 4.010 0.059 2
1 897 . 1 1 A 74 74 GLY HA3 H 74 3.844 4.022 -0.178 2
1 898 . 1 1 A 74 74 GLY C C 74 175.060 174.051 1.009 2
1 899 . 1 1 A 74 74 GLY CA C 74 46.117 45.852 0.265 2
1 900 . 1 1 A 74 74 GLY N N 74 108.255 107.806 0.449 2
1 901 . 1 1 A 75 75 THR H H 75 7.534 7.713 -0.179 2
1 902 . 1 1 A 75 75 THR HA H 75 4.687 4.825 -0.138 2
1 907 . 1 1 A 75 75 THR C C 75 173.779 173.552 0.227 2
1 908 . 1 1 A 75 75 THR CA C 75 61.115 60.381 0.734 2
1 909 . 1 1 A 75 75 THR CB C 75 71.585 71.288 0.297 2
1 911 . 1 1 A 75 75 THR N N 75 111.431 111.901 -0.470 2
1 912 . 1 1 A 76 76 GLN H H 76 8.590 8.503 0.087 2
1 913 . 1 1 A 76 76 GLN HA H 76 5.238 5.022 0.216 2
1 920 . 1 1 A 76 76 GLN C C 76 173.605 174.685 -1.080 2
1 921 . 1 1 A 76 76 GLN CA C 76 54.556 54.562 -0.006 2
1 922 . 1 1 A 76 76 GLN CB C 76 31.657 31.573 0.084 2
1 924 . 1 1 A 76 76 GLN N N 76 117.495 120.529 -3.034 2
1 926 . 1 1 A 77 77 CYS H H 77 9.058 8.848 0.210 2
1 927 . 1 1 A 77 77 CYS HA H 77 4.780 4.906 -0.126 2
1 930 . 1 1 A 77 77 CYS C C 77 172.371 173.298 -0.927 2
1 931 . 1 1 A 77 77 CYS CA C 77 56.886 57.641 -0.755 2
1 932 . 1 1 A 77 77 CYS CB C 77 31.492 31.731 -0.239 2
1 933 . 1 1 A 77 77 CYS N N 77 114.572 118.699 -4.127 2
1 934 . 1 1 A 78 78 PHE H H 78 8.872 8.771 0.101 2
1 935 . 1 1 A 78 78 PHE HA H 78 5.419 5.194 0.225 2
1 943 . 1 1 A 78 78 PHE CA C 78 58.466 56.517 1.949 2
1 944 . 1 1 A 78 78 PHE CB C 78 42.360 39.854 2.506 2
1 950 . 1 1 A 78 78 PHE N N 78 120.396 121.579 -1.183 2
1 951 . 1 1 A 79 79 TRP H H 79 10.003 9.484 0.519 2
1 952 . 1 1 A 79 79 TRP HA H 79 4.907 5.423 -0.516 2
1 961 . 1 1 A 79 79 TRP CA C 79 57.535 56.295 1.240 2
1 962 . 1 1 A 79 79 TRP CB C 79 30.788 31.447 -0.659 2
1 968 . 1 1 A 79 79 TRP N N 79 120.993 123.781 -2.788 2
1 970 . 1 1 A 80 80 ILE H H 80 9.669 9.457 0.212 2
1 971 . 1 1 A 80 80 ILE HA H 80 3.773 4.267 -0.494 2
1 981 . 1 1 A 80 80 ILE C C 80 174.675 175.233 -0.558 2
1 982 . 1 1 A 80 80 ILE CA C 80 61.505 60.721 0.784 2
1 983 . 1 1 A 80 80 ILE CB C 80 40.765 37.596 3.169 2
1 987 . 1 1 A 80 80 ILE N N 80 122.205 124.875 -2.670 2
1 988 . 1 1 A 81 81 LEU H H 81 8.489 8.776 -0.287 2
1 989 . 1 1 A 81 81 LEU HA H 81 5.037 4.710 0.327 2
1 999 . 1 1 A 81 81 LEU C C 81 177.301 176.177 1.124 2
1 1000 . 1 1 A 81 81 LEU CA C 81 53.483 54.170 -0.687 2
1 1001 . 1 1 A 81 81 LEU CB C 81 40.344 41.563 -1.219 2
1 1005 . 1 1 A 81 81 LEU N N 81 127.849 129.081 -1.232 2
1 1006 . 1 1 A 82 82 ARG H H 82 8.980 8.820 0.160 2
1 1007 . 1 1 A 82 82 ARG HA H 82 5.127 4.438 0.689 2
1 1014 . 1 1 A 82 82 ARG C C 82 179.527 177.558 1.969 2
1 1015 . 1 1 A 82 82 ARG CA C 82 57.410 55.574 1.836 2
1 1016 . 1 1 A 82 82 ARG CB C 82 31.995 31.295 0.700 2
1 1019 . 1 1 A 82 82 ARG N N 82 121.829 124.948 -3.119 2
1 1020 . 1 1 A 83 83 THR H H 83 8.427 8.859 -0.432 2
1 1021 . 1 1 A 83 83 THR HA H 83 3.823 3.982 -0.159 2
1 1026 . 1 1 A 83 83 THR C C 83 174.540 176.016 -1.476 2
1 1027 . 1 1 A 83 83 THR CA C 83 64.441 65.228 -0.787 2
1 1028 . 1 1 A 83 83 THR CB C 83 67.987 68.380 -0.394 2
1 1030 . 1 1 A 83 83 THR N N 83 111.631 117.236 -5.605 2
1 1031 . 1 1 A 84 84 ASP H H 84 7.431 7.907 -0.476 2
1 1032 . 1 1 A 84 84 ASP HA H 84 4.706 4.507 0.199 2
1 1035 . 1 1 A 84 84 ASP C C 84 177.092 176.259 0.833 2
1 1036 . 1 1 A 84 84 ASP CA C 84 52.983 54.833 -1.849 2
1 1037 . 1 1 A 84 84 ASP CB C 84 40.502 41.083 -0.581 2
1 1038 . 1 1 A 84 84 ASP N N 84 117.630 120.886 -3.256 2
1 1039 . 1 1 A 85 85 GLY H H 85 7.924 7.996 -0.072 2
1 1040 . 1 1 A 85 85 GLY HA2 H 85 3.741 3.985 -0.244 2
1 1041 . 1 1 A 85 85 GLY HA3 H 85 4.364 3.988 0.376 2
1 1042 . 1 1 A 85 85 GLY C C 85 174.007 174.346 -0.339 2
1 1043 . 1 1 A 85 85 GLY CA C 85 45.370 45.241 0.129 2
1 1044 . 1 1 A 85 85 GLY N N 85 108.078 108.006 0.072 2
1 1045 . 1 1 A 86 86 SER H H 86 8.009 7.811 0.198 2
1 1046 . 1 1 A 86 86 SER HA H 86 4.563 4.637 -0.074 2
1 1049 . 1 1 A 86 86 SER C C 86 172.835 173.959 -1.124 2
1 1050 . 1 1 A 86 86 SER CA C 86 58.731 58.304 0.427 2
1 1051 . 1 1 A 86 86 SER CB C 86 64.803 64.758 0.045 2
1 1052 . 1 1 A 86 86 SER N N 86 117.029 116.545 0.484 2
1 1053 . 1 1 A 87 87 GLU H H 87 8.593 8.953 -0.360 2
1 1054 . 1 1 A 87 87 GLU HA H 87 5.921 5.420 0.501 2
1 1059 . 1 1 A 87 87 GLU C C 87 175.873 174.988 0.885 2
1 1060 . 1 1 A 87 87 GLU CA C 87 54.343 54.969 -0.626 2
1 1061 . 1 1 A 87 87 GLU CB C 87 33.925 32.872 1.053 2
1 1063 . 1 1 A 87 87 GLU N N 87 116.585 121.282 -4.697 2
1 1064 . 1 1 A 88 88 GLU HA H 88 4.496 4.896 -0.400 2
1 1069 . 1 1 A 88 88 GLU CA C 88 55.840 55.254 0.586 2
1 1070 . 1 1 A 88 88 GLU CB C 88 34.310 33.577 0.733 2
1 1072 . 1 1 A 89 89 ARG H H 89 8.013 8.502 -0.489 2
1 1073 . 1 1 A 89 89 ARG HA H 89 3.184 4.843 -1.659 2
1 1080 . 1 1 A 89 89 ARG CA C 89 56.576 54.417 2.159 2
1 1081 . 1 1 A 89 89 ARG CB C 89 30.462 32.416 -1.954 2
1 1084 . 1 1 A 89 89 ARG N N 89 127.945 121.887 6.058 2
1 1085 . 1 1 A 90 90 PHE HA H 90 5.021 5.405 -0.384 2
1 1093 . 1 1 A 90 90 PHE CA C 90 55.089 55.507 -0.418 2
1 1094 . 1 1 A 90 90 PHE CB C 90 40.446 42.009 -1.563 2
1 1100 . 1 1 A 91 91 SER HA H 91 4.639 4.384 0.255 2
1 1103 . 1 1 A 91 91 SER CA C 91 56.242 57.827 -1.585 2
1 1104 . 1 1 A 91 91 SER CB C 91 62.621 61.771 0.850 2
1 1105 . 1 1 A 92 92 TYR HA H 92 4.268 4.367 -0.099 2
1 1112 . 1 1 A 92 92 TYR C C 92 176.450 177.027 -0.577 2
1 1113 . 1 1 A 92 92 TYR CA C 92 59.575 60.874 -1.299 2
1 1114 . 1 1 A 92 92 TYR CB C 92 37.283 37.753 -0.470 2
1 1119 . 1 1 A 93 93 LYS H H 93 7.405 7.740 -0.336 2
1 1120 . 1 1 A 93 93 LYS HA H 93 3.749 3.954 -0.205 2
1 1129 . 1 1 A 93 93 LYS C C 93 177.715 177.150 0.565 2
1 1130 . 1 1 A 93 93 LYS CA C 93 58.446 58.252 0.194 2
1 1131 . 1 1 A 93 93 LYS CB C 93 31.822 31.439 0.383 2
1 1135 . 1 1 A 93 93 LYS N N 93 120.689 118.394 2.295 2
1 1136 . 1 1 A 94 94 LYS H H 94 7.405 7.657 -0.252 2
1 1137 . 1 1 A 94 94 LYS HA H 94 4.079 4.426 -0.347 2
1 1146 . 1 1 A 94 94 LYS C C 94 176.709 176.466 0.243 2
1 1147 . 1 1 A 94 94 LYS CA C 94 56.479 55.789 0.690 2
1 1148 . 1 1 A 94 94 LYS CB C 94 32.760 31.913 0.847 2
1 1152 . 1 1 A 94 94 LYS N N 94 115.712 117.613 -1.901 2
1 1153 . 1 1 A 95 95 CYS H H 95 7.537 7.904 -0.367 2
1 1154 . 1 1 A 95 95 CYS HA H 95 3.937 4.711 -0.774 2
1 1157 . 1 1 A 95 95 CYS C C 95 173.487 174.877 -1.390 2
1 1158 . 1 1 A 95 95 CYS CA C 95 61.795 58.634 3.161 2
1 1159 . 1 1 A 95 95 CYS CB C 95 27.546 27.766 -0.220 2
1 1160 . 1 1 A 95 95 CYS N N 95 115.586 120.315 -4.729 2
1 1161 . 1 1 A 96 96 VAL HA H 96 4.154 4.142 0.012 2
1 1169 . 1 1 A 96 96 VAL C C 96 175.216 175.549 -0.333 2
1 1170 . 1 1 A 96 96 VAL CA C 96 61.916 63.593 -1.677 2
1 1171 . 1 1 A 96 96 VAL CB C 96 31.695 32.538 -0.843 2
1 1174 . 1 1 A 97 97 LEU H H 97 8.002 7.710 0.292 2
1 1175 . 1 1 A 97 97 LEU HA H 97 4.316 4.784 -0.468 2
1 1185 . 1 1 A 97 97 LEU C C 97 176.168 175.462 0.706 2
1 1186 . 1 1 A 97 97 LEU CA C 97 54.770 53.977 0.793 2
1 1187 . 1 1 A 97 97 LEU CB C 97 42.558 45.928 -3.370 2
1 1191 . 1 1 A 97 97 LEU N N 97 124.364 119.641 4.723 2
1 1192 . 1 1 A 98 98 GLU H H 98 8.345 8.589 -0.244 2
1 1193 . 1 1 A 98 98 GLU HA H 98 4.301 4.537 -0.236 2
1 1198 . 1 1 A 98 98 GLU C C 98 175.732 176.310 -0.578 2
1 1199 . 1 1 A 98 98 GLU CA C 98 55.988 56.240 -0.252 2
1 1200 . 1 1 A 98 98 GLU CB C 98 30.989 30.913 0.076 2
stop_
save_