data_16029_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16029
_Entry.PDB_ID 2KAN
_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 11 11 ALA HA H 11 4.252 4.177 0.075 1
1 5 . 1 1 1 A 11 11 ALA CA C 11 52.471 53.293 -0.822 1
1 6 . 1 1 1 A 11 11 ALA CB C 11 19.020 19.676 -0.656 1
1 7 . 1 1 1 A 12 12 ALA H H 12 8.179 7.584 0.595 1
1 8 . 1 1 1 A 12 12 ALA HA H 12 4.291 4.246 0.045 1
1 12 . 1 1 1 A 12 12 ALA C C 12 177.662 175.886 1.776 1
1 13 . 1 1 1 A 12 12 ALA CA C 12 52.444 51.627 0.817 1
1 14 . 1 1 1 A 12 12 ALA CB C 12 18.943 17.409 1.534 1
1 15 . 1 1 1 A 12 12 ALA N N 12 123.114 118.797 4.317 1
1 16 . 1 1 1 A 13 13 VAL H H 13 8.006 7.628 0.378 1
1 17 . 1 1 1 A 13 13 VAL HA H 13 4.100 4.494 -0.394 1
1 25 . 1 1 1 A 13 13 VAL C C 13 175.990 173.579 2.411 1
1 26 . 1 1 1 A 13 13 VAL CA C 13 62.182 59.878 2.304 1
1 27 . 1 1 1 A 13 13 VAL CB C 13 32.442 34.891 -2.449 1
1 29 . 1 1 1 A 13 13 VAL N N 13 119.213 120.397 -1.184 1
1 30 . 1 1 1 A 14 14 ARG H H 14 8.329 8.412 -0.083 1
1 31 . 1 1 1 A 14 14 ARG HA H 14 4.344 4.630 -0.286 1
1 38 . 1 1 1 A 14 14 ARG C C 14 175.844 175.907 -0.063 1
1 39 . 1 1 1 A 14 14 ARG CA C 14 56.071 55.006 1.065 1
1 40 . 1 1 1 A 14 14 ARG CB C 14 31.099 31.605 -0.506 1
1 43 . 1 1 1 A 14 14 ARG N N 14 125.039 126.773 -1.734 1
1 44 . 1 1 1 A 15 15 LYS H H 15 8.147 8.434 -0.287 1
1 45 . 1 1 1 A 15 15 LYS HA H 15 4.552 4.395 0.157 1
1 54 . 1 1 1 A 15 15 LYS C C 15 176.186 177.117 -0.931 1
1 55 . 1 1 1 A 15 15 LYS CA C 15 55.632 56.360 -0.728 1
1 56 . 1 1 1 A 15 15 LYS CB C 15 33.543 33.240 0.303 1
1 60 . 1 1 1 A 15 15 LYS N N 15 121.711 122.579 -0.868 1
1 61 . 1 1 1 A 16 16 ILE H H 16 8.764 8.627 0.137 1
1 62 . 1 1 1 A 16 16 ILE HA H 16 4.508 4.594 -0.086 1
1 72 . 1 1 1 A 16 16 ILE C C 16 174.333 174.746 -0.413 1
1 73 . 1 1 1 A 16 16 ILE CA C 16 59.343 59.436 -0.093 1
1 74 . 1 1 1 A 16 16 ILE CB C 16 41.575 39.597 1.978 1
1 78 . 1 1 1 A 16 16 ILE N N 16 116.484 119.026 -2.542 1
1 79 . 1 1 1 A 17 17 HIS H H 17 8.659 8.848 -0.189 1
1 80 . 1 1 1 A 17 17 HIS HA H 17 5.130 5.144 -0.014 1
1 85 . 1 1 1 A 17 17 HIS C C 17 174.788 175.095 -0.307 1
1 86 . 1 1 1 A 17 17 HIS CA C 17 55.562 54.537 1.025 1
1 87 . 1 1 1 A 17 17 HIS CB C 17 30.047 30.564 -0.517 1
1 90 . 1 1 1 A 17 17 HIS N N 17 119.826 120.509 -0.683 1
1 93 . 1 1 1 A 18 18 VAL H H 18 8.788 8.810 -0.022 1
1 94 . 1 1 1 A 18 18 VAL HA H 18 4.681 4.755 -0.074 1
1 102 . 1 1 1 A 18 18 VAL C C 18 174.631 174.921 -0.290 1
1 103 . 1 1 1 A 18 18 VAL CA C 18 59.568 60.589 -1.021 1
1 104 . 1 1 1 A 18 18 VAL CB C 18 34.191 33.379 0.812 1
1 107 . 1 1 1 A 18 18 VAL N N 18 117.203 119.300 -2.097 1
1 108 . 1 1 1 A 19 19 THR H H 19 8.746 9.147 -0.401 1
1 109 . 1 1 1 A 19 19 THR HA H 19 4.603 4.820 -0.217 1
1 114 . 1 1 1 A 19 19 THR C C 19 172.422 174.043 -1.621 1
1 115 . 1 1 1 A 19 19 THR CA C 19 62.159 62.163 -0.004 1
1 116 . 1 1 1 A 19 19 THR CB C 19 69.640 69.343 0.297 1
1 118 . 1 1 1 A 19 19 THR N N 19 121.216 121.021 0.195 1
1 119 . 1 1 1 A 20 20 VAL H H 20 9.268 9.128 0.140 1
1 120 . 1 1 1 A 20 20 VAL HA H 20 4.426 4.431 -0.005 1
1 128 . 1 1 1 A 20 20 VAL C C 20 174.013 174.851 -0.838 1
1 129 . 1 1 1 A 20 20 VAL CA C 20 61.312 61.524 -0.212 1
1 130 . 1 1 1 A 20 20 VAL CB C 20 31.567 31.807 -0.240 1
1 133 . 1 1 1 A 20 20 VAL N N 20 128.437 127.875 0.562 1
1 134 . 1 1 1 A 21 21 LYS H H 21 9.147 9.090 0.057 1
1 135 . 1 1 1 A 21 21 LYS HA H 21 4.759 4.785 -0.026 1
1 144 . 1 1 1 A 21 21 LYS C C 21 175.935 175.622 0.313 1
1 145 . 1 1 1 A 21 21 LYS CA C 21 55.384 54.959 0.425 1
1 146 . 1 1 1 A 21 21 LYS CB C 21 34.197 33.861 0.336 1
1 150 . 1 1 1 A 21 21 LYS N N 21 126.951 127.676 -0.725 1
1 151 . 1 1 1 A 22 22 PHE H H 22 8.938 9.190 -0.252 1
1 152 . 1 1 1 A 22 22 PHE HA H 22 4.846 4.729 0.117 1
1 158 . 1 1 1 A 22 22 PHE C C 22 174.843 175.470 -0.627 1
1 159 . 1 1 1 A 22 22 PHE CA C 22 56.918 56.162 0.756 1
1 160 . 1 1 1 A 22 22 PHE CB C 22 39.021 40.544 -1.523 1
1 163 . 1 1 1 A 22 22 PHE N N 22 127.843 123.715 4.128 1
1 164 . 1 1 1 A 23 23 PRO HA H 23 4.192 4.371 -0.179 1
1 171 . 1 1 1 A 23 23 PRO C C 23 177.813 177.062 0.751 1
1 172 . 1 1 1 A 23 23 PRO CA C 23 66.150 63.921 2.229 1
1 173 . 1 1 1 A 23 23 PRO CB C 23 31.588 31.711 -0.123 1
1 176 . 1 1 1 A 24 24 SER H H 24 8.115 8.219 -0.104 1
1 177 . 1 1 1 A 24 24 SER HA H 24 4.772 4.667 0.105 1
1 180 . 1 1 1 A 24 24 SER C C 24 173.836 173.848 -0.012 1
1 181 . 1 1 1 A 24 24 SER CA C 24 56.928 58.538 -1.610 1
1 182 . 1 1 1 A 24 24 SER CB C 24 64.789 64.541 0.248 1
1 183 . 1 1 1 A 24 24 SER N N 24 106.127 111.315 -5.188 1
1 184 . 1 1 1 A 25 25 LYS H H 25 7.321 8.002 -0.681 1
1 185 . 1 1 1 A 25 25 LYS HA H 25 4.739 5.043 -0.304 1
1 194 . 1 1 1 A 25 25 LYS C C 25 172.915 175.022 -2.107 1
1 195 . 1 1 1 A 25 25 LYS CA C 25 55.863 54.403 1.460 1
1 196 . 1 1 1 A 25 25 LYS CB C 25 34.621 36.476 -1.855 1
1 200 . 1 1 1 A 25 25 LYS N N 25 118.386 117.790 0.596 1
1 201 . 1 1 1 A 26 26 GLN H H 26 8.566 8.768 -0.202 1
1 202 . 1 1 1 A 26 26 GLN HA H 26 5.708 5.391 0.317 1
1 209 . 1 1 1 A 26 26 GLN C C 26 174.179 174.326 -0.147 1
1 210 . 1 1 1 A 26 26 GLN CA C 26 53.888 54.504 -0.616 1
1 211 . 1 1 1 A 26 26 GLN CB C 26 32.884 32.152 0.732 1
1 213 . 1 1 1 A 26 26 GLN N N 26 117.444 119.173 -1.729 1
1 215 . 1 1 1 A 27 27 PHE H H 27 8.564 8.537 0.027 1
1 216 . 1 1 1 A 27 27 PHE HA H 27 5.085 5.381 -0.296 1
1 224 . 1 1 1 A 27 27 PHE C C 27 173.234 172.338 0.896 1
1 225 . 1 1 1 A 27 27 PHE CA C 27 55.993 56.067 -0.074 1
1 226 . 1 1 1 A 27 27 PHE CB C 27 40.088 42.178 -2.090 1
1 230 . 1 1 1 A 27 27 PHE N N 27 117.565 121.089 -3.524 1
1 231 . 1 1 1 A 28 28 THR H H 28 8.801 8.799 0.002 1
1 232 . 1 1 1 A 28 28 THR HA H 28 5.419 5.399 0.020 1
1 237 . 1 1 1 A 28 28 THR C C 28 174.650 173.806 0.844 1
1 238 . 1 1 1 A 28 28 THR CA C 28 61.203 61.709 -0.506 1
1 239 . 1 1 1 A 28 28 THR CB C 28 70.508 70.919 -0.411 1
1 241 . 1 1 1 A 28 28 THR N N 28 115.093 115.763 -0.670 1
1 242 . 1 1 1 A 29 29 VAL H H 29 8.983 9.257 -0.274 1
1 243 . 1 1 1 A 29 29 VAL HA H 29 4.549 4.793 -0.244 1
1 251 . 1 1 1 A 29 29 VAL C C 29 173.686 174.625 -0.939 1
1 252 . 1 1 1 A 29 29 VAL CA C 29 60.118 60.478 -0.360 1
1 253 . 1 1 1 A 29 29 VAL CB C 29 35.498 35.474 0.024 1
1 256 . 1 1 1 A 29 29 VAL N N 29 121.743 125.375 -3.632 1
1 257 . 1 1 1 A 30 30 GLU H H 30 8.460 8.621 -0.161 1
1 258 . 1 1 1 A 30 30 GLU HA H 30 4.894 4.760 0.134 1
1 263 . 1 1 1 A 30 30 GLU C C 30 175.807 176.143 -0.336 1
1 264 . 1 1 1 A 30 30 GLU CA C 30 54.922 56.092 -1.170 1
1 265 . 1 1 1 A 30 30 GLU CB C 30 31.123 30.415 0.708 1
1 267 . 1 1 1 A 30 30 GLU N N 30 125.512 126.960 -1.448 1
1 268 . 1 1 1 A 31 31 VAL H H 31 8.917 8.737 0.180 1
1 269 . 1 1 1 A 31 31 VAL HA H 31 4.634 4.805 -0.171 1
1 277 . 1 1 1 A 31 31 VAL C C 31 174.136 174.035 0.101 1
1 278 . 1 1 1 A 31 31 VAL CA C 31 58.299 58.694 -0.395 1
1 279 . 1 1 1 A 31 31 VAL CB C 31 35.067 35.637 -0.570 1
1 282 . 1 1 1 A 31 31 VAL N N 31 118.900 117.806 1.094 1
1 283 . 1 1 1 A 32 32 ASP H H 32 9.032 8.659 0.373 1
1 284 . 1 1 1 A 32 32 ASP HA H 32 4.943 4.628 0.315 1
1 287 . 1 1 1 A 32 32 ASP C C 32 177.992 177.534 0.458 1
1 288 . 1 1 1 A 32 32 ASP CA C 32 53.428 54.192 -0.764 1
1 289 . 1 1 1 A 32 32 ASP CB C 32 42.939 42.293 0.646 1
1 290 . 1 1 1 A 32 32 ASP N N 32 121.708 124.367 -2.659 1
1 291 . 1 1 1 A 33 33 ARG H H 33 8.847 8.848 -0.001 1
1 292 . 1 1 1 A 33 33 ARG HA H 33 3.952 4.068 -0.116 1
1 299 . 1 1 1 A 33 33 ARG C C 33 176.257 176.508 -0.251 1
1 300 . 1 1 1 A 33 33 ARG CA C 33 59.113 58.269 0.844 1
1 301 . 1 1 1 A 33 33 ARG CB C 33 30.011 29.709 0.302 1
1 304 . 1 1 1 A 33 33 ARG N N 33 121.873 123.689 -1.816 1
1 305 . 1 1 1 A 34 34 THR H H 34 8.058 8.237 -0.179 1
1 306 . 1 1 1 A 34 34 THR HA H 34 4.350 4.592 -0.242 1
1 311 . 1 1 1 A 34 34 THR C C 34 174.371 174.528 -0.157 1
1 312 . 1 1 1 A 34 34 THR CA C 34 60.432 61.876 -1.444 1
1 313 . 1 1 1 A 34 34 THR CB C 34 68.739 69.279 -0.540 1
1 315 . 1 1 1 A 34 34 THR N N 34 104.720 108.252 -3.532 1
1 316 . 1 1 1 A 35 35 GLU H H 35 7.473 7.598 -0.125 1
1 317 . 1 1 1 A 35 35 GLU HA H 35 4.239 4.247 -0.008 1
1 322 . 1 1 1 A 35 35 GLU C C 35 176.021 177.052 -1.031 1
1 323 . 1 1 1 A 35 35 GLU CA C 35 56.921 57.035 -0.114 1
1 324 . 1 1 1 A 35 35 GLU CB C 35 31.086 30.059 1.027 1
1 326 . 1 1 1 A 35 35 GLU N N 35 123.129 123.950 -0.821 1
1 327 . 1 1 1 A 36 36 THR H H 36 8.432 8.790 -0.358 1
1 328 . 1 1 1 A 36 36 THR HA H 36 4.987 4.519 0.468 1
1 333 . 1 1 1 A 36 36 THR C C 36 175.939 176.101 -0.162 1
1 334 . 1 1 1 A 36 36 THR CA C 36 60.249 62.464 -2.215 1
1 335 . 1 1 1 A 36 36 THR CB C 36 71.783 69.845 1.938 1
1 337 . 1 1 1 A 36 36 THR N N 36 112.476 121.045 -8.569 1
1 338 . 1 1 1 A 37 37 VAL H H 37 8.087 9.216 -1.129 1
1 339 . 1 1 1 A 37 37 VAL HA H 37 3.411 3.668 -0.257 1
1 347 . 1 1 1 A 37 37 VAL C C 37 178.249 177.588 0.661 1
1 348 . 1 1 1 A 37 37 VAL CA C 37 67.397 66.671 0.726 1
1 349 . 1 1 1 A 37 37 VAL CB C 37 31.567 31.360 0.207 1
1 352 . 1 1 1 A 37 37 VAL N N 37 121.215 125.283 -4.068 1
1 353 . 1 1 1 A 38 38 SER H H 38 8.863 7.947 0.916 1
1 354 . 1 1 1 A 38 38 SER HA H 38 4.760 4.332 0.428 1
1 357 . 1 1 1 A 38 38 SER C C 38 176.814 177.039 -0.225 1
1 358 . 1 1 1 A 38 38 SER CA C 38 57.746 61.635 -3.889 1
1 359 . 1 1 1 A 38 38 SER CB C 38 62.627 62.232 0.395 1
1 360 . 1 1 1 A 38 38 SER N N 38 112.752 114.904 -2.152 1
1 361 . 1 1 1 A 39 39 SER H H 39 7.999 8.115 -0.116 1
1 362 . 1 1 1 A 39 39 SER HA H 39 4.318 4.402 -0.084 1
1 365 . 1 1 1 A 39 39 SER C C 39 177.692 176.705 0.987 1
1 366 . 1 1 1 A 39 39 SER CA C 39 61.338 61.674 -0.336 1
1 367 . 1 1 1 A 39 39 SER CB C 39 62.349 63.347 -0.998 1
1 368 . 1 1 1 A 39 39 SER N N 39 117.918 117.134 0.784 1
1 369 . 1 1 1 A 40 40 LEU H H 40 8.227 8.300 -0.073 1
1 370 . 1 1 1 A 40 40 LEU HA H 40 4.104 4.157 -0.053 1
1 380 . 1 1 1 A 40 40 LEU C C 40 178.420 178.930 -0.510 1
1 381 . 1 1 1 A 40 40 LEU CA C 40 58.235 57.766 0.469 1
1 382 . 1 1 1 A 40 40 LEU CB C 40 40.797 41.627 -0.830 1
1 386 . 1 1 1 A 40 40 LEU N N 40 123.592 123.179 0.413 1
1 387 . 1 1 1 A 41 41 LYS H H 41 8.470 8.143 0.327 1
1 388 . 1 1 1 A 41 41 LYS HA H 41 3.824 4.068 -0.244 1
1 397 . 1 1 1 A 41 41 LYS C C 41 178.476 179.423 -0.947 1
1 398 . 1 1 1 A 41 41 LYS CA C 41 61.313 59.962 1.351 1
1 399 . 1 1 1 A 41 41 LYS CB C 41 32.414 32.039 0.375 1
1 403 . 1 1 1 A 41 41 LYS N N 41 118.401 118.551 -0.150 1
1 404 . 1 1 1 A 42 42 ASP H H 42 7.956 8.449 -0.493 1
1 405 . 1 1 1 A 42 42 ASP HA H 42 4.447 4.337 0.110 1
1 408 . 1 1 1 A 42 42 ASP C C 42 178.806 179.373 -0.567 1
1 409 . 1 1 1 A 42 42 ASP CA C 42 57.802 57.361 0.441 1
1 410 . 1 1 1 A 42 42 ASP CB C 42 40.585 40.587 -0.002 1
1 411 . 1 1 1 A 42 42 ASP N N 42 119.295 119.767 -0.472 1
1 412 . 1 1 1 A 43 43 LYS H H 43 8.024 7.721 0.303 1
1 413 . 1 1 1 A 43 43 LYS HA H 43 4.039 4.147 -0.108 1
1 422 . 1 1 1 A 43 43 LYS C C 43 179.941 179.529 0.412 1
1 423 . 1 1 1 A 43 43 LYS CA C 43 60.014 59.912 0.102 1
1 424 . 1 1 1 A 43 43 LYS CB C 43 32.865 32.644 0.221 1
1 428 . 1 1 1 A 43 43 LYS N N 43 119.784 117.989 1.795 1
1 429 . 1 1 1 A 44 44 ILE H H 44 8.480 7.975 0.505 1
1 430 . 1 1 1 A 44 44 ILE HA H 44 3.702 3.945 -0.243 1
1 440 . 1 1 1 A 44 44 ILE C C 44 177.328 178.494 -1.166 1
1 441 . 1 1 1 A 44 44 ILE CA C 44 65.725 65.039 0.686 1
1 442 . 1 1 1 A 44 44 ILE CB C 44 38.110 37.702 0.408 1
1 446 . 1 1 1 A 44 44 ILE N N 44 119.363 120.237 -0.874 1
1 447 . 1 1 1 A 45 45 HIS H H 45 8.635 8.549 0.086 1
1 448 . 1 1 1 A 45 45 HIS HA H 45 4.471 4.244 0.227 1
1 453 . 1 1 1 A 45 45 HIS C C 45 176.407 177.226 -0.819 1
1 454 . 1 1 1 A 45 45 HIS CA C 45 58.451 59.751 -1.300 1
1 455 . 1 1 1 A 45 45 HIS CB C 45 28.055 29.709 -1.654 1
1 458 . 1 1 1 A 45 45 HIS N N 45 118.889 119.835 -0.946 1
1 461 . 1 1 1 A 46 46 ILE H H 46 7.868 7.889 -0.021 1
1 462 . 1 1 1 A 46 46 ILE HA H 46 3.571 3.573 -0.002 1
1 472 . 1 1 1 A 46 46 ILE C C 46 177.371 178.578 -1.207 1
1 473 . 1 1 1 A 46 46 ILE CA C 46 63.925 64.089 -0.164 1
1 474 . 1 1 1 A 46 46 ILE CB C 46 37.704 36.869 0.835 1
1 478 . 1 1 1 A 46 46 ILE N N 46 118.414 119.308 -0.894 1
1 479 . 1 1 1 A 47 47 VAL H H 47 7.223 7.130 0.093 1
1 480 . 1 1 1 A 47 47 VAL HA H 47 3.684 3.667 0.017 1
1 488 . 1 1 1 A 47 47 VAL C C 47 176.706 176.029 0.677 1
1 489 . 1 1 1 A 47 47 VAL CA C 47 64.807 65.037 -0.230 1
1 490 . 1 1 1 A 47 47 VAL CB C 47 32.209 32.404 -0.195 1
1 493 . 1 1 1 A 47 47 VAL N N 47 116.982 119.753 -2.771 1
1 494 . 1 1 1 A 48 48 GLU H H 48 8.090 8.393 -0.303 1
1 495 . 1 1 1 A 48 48 GLU HA H 48 4.271 4.396 -0.125 1
1 500 . 1 1 1 A 48 48 GLU C C 48 176.042 176.220 -0.178 1
1 501 . 1 1 1 A 48 48 GLU CA C 48 55.062 55.472 -0.410 1
1 502 . 1 1 1 A 48 48 GLU CB C 48 31.544 31.302 0.242 1
1 504 . 1 1 1 A 48 48 GLU N N 48 118.849 119.714 -0.865 1
1 505 . 1 1 1 A 49 49 ASN H H 49 8.113 8.546 -0.433 1
1 506 . 1 1 1 A 49 49 ASN HA H 49 4.137 4.549 -0.412 1
1 511 . 1 1 1 A 49 49 ASN C C 49 174.993 176.456 -1.463 1
1 512 . 1 1 1 A 49 49 ASN CA C 49 54.287 55.110 -0.823 1
1 513 . 1 1 1 A 49 49 ASN CB C 49 37.647 38.689 -1.042 1
1 514 . 1 1 1 A 49 49 ASN N N 49 118.695 120.173 -1.478 1
1 516 . 1 1 1 A 50 50 THR H H 50 7.780 7.716 0.064 1
1 517 . 1 1 1 A 50 50 THR HA H 50 4.483 4.454 0.029 1
1 522 . 1 1 1 A 50 50 THR C C 50 173.107 172.865 0.242 1
1 523 . 1 1 1 A 50 50 THR CA C 50 61.094 61.247 -0.153 1
1 524 . 1 1 1 A 50 50 THR CB C 50 70.926 69.601 1.325 1
1 526 . 1 1 1 A 50 50 THR N N 50 118.434 116.304 2.130 1
1 527 . 1 1 1 A 51 51 PRO HA H 51 4.485 4.655 -0.170 1
1 534 . 1 1 1 A 51 51 PRO C C 51 178.067 177.411 0.656 1
1 535 . 1 1 1 A 51 51 PRO CA C 51 63.075 63.029 0.046 1
1 536 . 1 1 1 A 51 51 PRO CB C 51 31.996 32.771 -0.775 1
1 539 . 1 1 1 A 52 52 ILE H H 52 8.530 8.132 0.398 1
1 540 . 1 1 1 A 52 52 ILE HA H 52 3.764 3.761 0.003 1
1 550 . 1 1 1 A 52 52 ILE C C 52 179.363 177.726 1.637 1
1 551 . 1 1 1 A 52 52 ILE CA C 52 64.855 64.251 0.604 1
1 552 . 1 1 1 A 52 52 ILE CB C 52 38.109 37.793 0.316 1
1 556 . 1 1 1 A 52 52 ILE N N 52 125.501 122.919 2.582 1
1 557 . 1 1 1 A 53 53 LYS H H 53 8.603 7.990 0.613 1
1 558 . 1 1 1 A 53 53 LYS HA H 53 4.180 4.160 0.020 1
1 567 . 1 1 1 A 53 53 LYS C C 53 177.113 178.268 -1.155 1
1 568 . 1 1 1 A 53 53 LYS CA C 53 57.816 59.220 -1.404 1
1 569 . 1 1 1 A 53 53 LYS CB C 53 31.992 32.256 -0.264 1
1 573 . 1 1 1 A 53 53 LYS N N 53 117.464 119.325 -1.861 1
1 574 . 1 1 1 A 54 54 ARG H H 54 7.479 7.172 0.307 1
1 575 . 1 1 1 A 54 54 ARG HA H 54 4.361 4.339 0.022 1
1 582 . 1 1 1 A 54 54 ARG C C 54 175.507 176.267 -0.760 1
1 583 . 1 1 1 A 54 54 ARG CA C 54 56.051 57.292 -1.241 1
1 584 . 1 1 1 A 54 54 ARG CB C 54 31.559 31.082 0.477 1
1 587 . 1 1 1 A 54 54 ARG N N 54 114.601 117.202 -2.601 1
1 588 . 1 1 1 A 55 55 MET H H 55 7.479 7.275 0.204 1
1 589 . 1 1 1 A 55 55 MET HA H 55 4.435 4.664 -0.229 1
1 597 . 1 1 1 A 55 55 MET C C 55 175.276 175.794 -0.518 1
1 598 . 1 1 1 A 55 55 MET CA C 55 57.365 54.488 2.877 1
1 599 . 1 1 1 A 55 55 MET CB C 55 35.142 34.104 1.038 1
1 602 . 1 1 1 A 55 55 MET N N 55 116.986 117.518 -0.532 1
1 603 . 1 1 1 A 56 56 GLN H H 56 8.958 9.158 -0.200 1
1 604 . 1 1 1 A 56 56 GLN HA H 56 4.502 4.941 -0.439 1
1 611 . 1 1 1 A 56 56 GLN C C 56 173.429 174.429 -1.000 1
1 612 . 1 1 1 A 56 56 GLN CA C 56 54.982 54.434 0.548 1
1 613 . 1 1 1 A 56 56 GLN CB C 56 32.420 31.578 0.842 1
1 615 . 1 1 1 A 56 56 GLN N N 56 124.094 122.725 1.369 1
1 617 . 1 1 1 A 57 57 LEU H H 57 8.603 8.833 -0.230 1
1 618 . 1 1 1 A 57 57 LEU HA H 57 5.190 5.074 0.116 1
1 628 . 1 1 1 A 57 57 LEU C C 57 175.421 175.528 -0.107 1
1 629 . 1 1 1 A 57 57 LEU CA C 57 53.437 53.642 -0.205 1
1 630 . 1 1 1 A 57 57 LEU CB C 57 44.367 43.233 1.134 1
1 634 . 1 1 1 A 57 57 LEU N N 57 124.534 123.990 0.544 1
1 635 . 1 1 1 A 58 58 TYR H H 58 9.319 9.482 -0.163 1
1 636 . 1 1 1 A 58 58 TYR HA H 58 5.145 5.332 -0.187 1
1 643 . 1 1 1 A 58 58 TYR C C 58 174.821 174.320 0.501 1
1 644 . 1 1 1 A 58 58 TYR CA C 58 56.503 56.461 0.042 1
1 645 . 1 1 1 A 58 58 TYR CB C 58 43.323 41.093 2.230 1
1 648 . 1 1 1 A 58 58 TYR N N 58 119.746 123.380 -3.634 1
1 649 . 1 1 1 A 59 59 TYR H H 59 8.993 9.442 -0.449 1
1 650 . 1 1 1 A 59 59 TYR HA H 59 5.173 4.893 0.280 1
1 657 . 1 1 1 A 59 59 TYR C C 59 174.980 174.874 0.106 1
1 658 . 1 1 1 A 59 59 TYR CA C 59 55.625 57.557 -1.932 1
1 659 . 1 1 1 A 59 59 TYR CB C 59 41.981 40.803 1.178 1
1 662 . 1 1 1 A 59 59 TYR N N 59 120.286 125.474 -5.188 1
1 663 . 1 1 1 A 60 60 SER H H 60 9.320 9.200 0.120 1
1 664 . 1 1 1 A 60 60 SER HA H 60 3.668 4.076 -0.408 1
1 667 . 1 1 1 A 60 60 SER C C 60 174.893 174.408 0.485 1
1 668 . 1 1 1 A 60 60 SER CA C 60 57.815 59.135 -1.320 1
1 669 . 1 1 1 A 60 60 SER CB C 60 62.602 61.413 1.189 1
1 670 . 1 1 1 A 60 60 SER N N 60 125.263 123.018 2.245 1
1 671 . 1 1 1 A 61 61 GLY H H 61 8.649 8.336 0.313 1
1 672 . 1 1 1 A 61 61 GLY HA2 H 61 4.035 4.028 0.007 1
1 673 . 1 1 1 A 61 61 GLY HA3 H 61 3.409 4.055 -0.646 1
1 674 . 1 1 1 A 61 61 GLY C C 61 173.346 173.903 -0.557 1
1 675 . 1 1 1 A 61 61 GLY CA C 61 44.726 45.005 -0.279 1
1 676 . 1 1 1 A 62 62 ILE H H 62 8.128 8.049 0.079 1
1 677 . 1 1 1 A 62 62 ILE HA H 62 4.304 4.216 0.088 1
1 687 . 1 1 1 A 62 62 ILE C C 62 174.950 174.946 0.004 1
1 688 . 1 1 1 A 62 62 ILE CA C 62 59.396 60.390 -0.994 1
1 689 . 1 1 1 A 62 62 ILE CB C 62 39.110 38.465 0.645 1
1 693 . 1 1 1 A 62 62 ILE N N 62 123.077 122.424 0.653 1
1 694 . 1 1 1 A 63 63 GLU H H 63 8.697 8.861 -0.164 1
1 695 . 1 1 1 A 63 63 GLU HA H 63 3.534 4.142 -0.608 1
1 700 . 1 1 1 A 63 63 GLU C C 63 177.156 175.221 1.935 1
1 701 . 1 1 1 A 63 63 GLU CA C 63 55.231 56.041 -0.810 1
1 702 . 1 1 1 A 63 63 GLU CB C 63 29.804 29.623 0.181 1
1 704 . 1 1 1 A 63 63 GLU N N 63 127.682 127.974 -0.292 1
1 705 . 1 1 1 A 64 64 LEU H H 64 8.791 9.179 -0.388 1
1 706 . 1 1 1 A 64 64 LEU HA H 64 3.954 4.081 -0.127 1
1 716 . 1 1 1 A 64 64 LEU C C 64 176.428 176.581 -0.153 1
1 717 . 1 1 1 A 64 64 LEU CA C 64 52.211 54.080 -1.869 1
1 718 . 1 1 1 A 64 64 LEU CB C 64 37.239 39.769 -2.530 1
1 722 . 1 1 1 A 64 64 LEU N N 64 130.005 128.583 1.422 1
1 723 . 1 1 1 A 65 65 ALA H H 65 7.369 7.937 -0.568 1
1 724 . 1 1 1 A 65 65 ALA HA H 65 4.052 4.393 -0.341 1
1 728 . 1 1 1 A 65 65 ALA C C 65 176.322 176.826 -0.504 1
1 729 . 1 1 1 A 65 65 ALA CA C 65 53.207 51.993 1.214 1
1 730 . 1 1 1 A 65 65 ALA CB C 65 20.170 19.858 0.312 1
1 731 . 1 1 1 A 65 65 ALA N N 65 124.744 126.570 -1.826 1
1 732 . 1 1 1 A 66 66 ASP H H 66 7.472 7.062 0.410 1
1 733 . 1 1 1 A 66 66 ASP HA H 66 4.857 4.664 0.193 1
1 736 . 1 1 1 A 66 66 ASP C C 66 175.635 175.693 -0.058 1
1 737 . 1 1 1 A 66 66 ASP CA C 66 52.192 52.591 -0.399 1
1 738 . 1 1 1 A 66 66 ASP CB C 66 41.603 39.049 2.554 1
1 739 . 1 1 1 A 66 66 ASP N N 66 117.457 119.226 -1.769 1
1 740 . 1 1 1 A 67 67 ASP H H 67 8.541 8.558 -0.017 1
1 741 . 1 1 1 A 67 67 ASP HA H 67 4.209 4.207 0.002 1
1 744 . 1 1 1 A 67 67 ASP C C 67 176.292 177.148 -0.856 1
1 745 . 1 1 1 A 67 67 ASP CA C 67 56.925 56.974 -0.049 1
1 746 . 1 1 1 A 67 67 ASP CB C 67 40.835 40.471 0.364 1
1 747 . 1 1 1 A 67 67 ASP N N 67 124.544 126.133 -1.589 1
1 748 . 1 1 1 A 68 68 TYR H H 68 7.701 7.396 0.305 1
1 749 . 1 1 1 A 68 68 TYR HA H 68 4.589 4.522 0.067 1
1 756 . 1 1 1 A 68 68 TYR C C 68 175.742 176.243 -0.501 1
1 757 . 1 1 1 A 68 68 TYR CA C 68 56.622 58.240 -1.618 1
1 758 . 1 1 1 A 68 68 TYR CB C 68 37.607 38.690 -1.083 1
1 761 . 1 1 1 A 68 68 TYR N N 68 112.752 115.980 -3.228 1
1 762 . 1 1 1 A 69 69 ARG H H 69 7.182 7.430 -0.248 1
1 763 . 1 1 1 A 69 69 ARG HA H 69 4.245 4.607 -0.362 1
1 771 . 1 1 1 A 69 69 ARG C C 69 175.443 175.716 -0.273 1
1 772 . 1 1 1 A 69 69 ARG CA C 69 56.056 54.955 1.101 1
1 773 . 1 1 1 A 69 69 ARG CB C 69 31.536 31.236 0.300 1
1 776 . 1 1 1 A 69 69 ARG N N 69 122.155 122.043 0.112 1
1 778 . 1 1 1 A 70 70 ASN H H 70 8.749 8.841 -0.092 1
1 779 . 1 1 1 A 70 70 ASN HA H 70 5.068 5.220 -0.152 1
1 784 . 1 1 1 A 70 70 ASN C C 70 177.349 176.370 0.979 1
1 785 . 1 1 1 A 70 70 ASN CA C 70 52.528 51.510 1.018 1
1 786 . 1 1 1 A 70 70 ASN CB C 70 39.856 40.876 -1.020 1
1 787 . 1 1 1 A 70 70 ASN N N 70 120.300 119.244 1.056 1
1 789 . 1 1 1 A 71 71 LEU H H 71 8.603 9.268 -0.665 1
1 790 . 1 1 1 A 71 71 LEU HA H 71 3.943 4.089 -0.146 1
1 800 . 1 1 1 A 71 71 LEU C C 71 179.470 179.130 0.340 1
1 801 . 1 1 1 A 71 71 LEU CA C 71 58.074 57.787 0.287 1
1 802 . 1 1 1 A 71 71 LEU CB C 71 39.446 41.473 -2.027 1
1 806 . 1 1 1 A 71 71 LEU N N 71 118.872 123.851 -4.979 1
1 807 . 1 1 1 A 72 72 ASN H H 72 8.561 8.762 -0.201 1
1 808 . 1 1 1 A 72 72 ASN HA H 72 4.394 4.382 0.012 1
1 813 . 1 1 1 A 72 72 ASN C C 72 178.592 177.199 1.393 1
1 814 . 1 1 1 A 72 72 ASN CA C 72 56.065 55.724 0.341 1
1 815 . 1 1 1 A 72 72 ASN CB C 72 37.663 37.275 0.388 1
1 816 . 1 1 1 A 72 72 ASN N N 72 115.744 117.048 -1.304 1
1 818 . 1 1 1 A 73 73 GLU H H 73 7.979 8.078 -0.099 1
1 819 . 1 1 1 A 73 73 GLU HA H 73 4.041 3.962 0.079 1
1 824 . 1 1 1 A 73 73 GLU C C 73 177.778 177.722 0.056 1
1 825 . 1 1 1 A 73 73 GLU CA C 73 58.680 58.917 -0.237 1
1 826 . 1 1 1 A 73 73 GLU CB C 73 29.114 29.309 -0.195 1
1 828 . 1 1 1 A 73 73 GLU N N 73 121.014 119.990 1.024 1
1 829 . 1 1 1 A 74 74 TYR H H 74 7.500 7.328 0.172 1
1 830 . 1 1 1 A 74 74 TYR HA H 74 4.567 4.646 -0.079 1
1 837 . 1 1 1 A 74 74 TYR C C 74 175.592 175.864 -0.272 1
1 838 . 1 1 1 A 74 74 TYR CA C 74 58.790 57.940 0.850 1
1 839 . 1 1 1 A 74 74 TYR CB C 74 39.440 38.709 0.731 1
1 842 . 1 1 1 A 74 74 TYR N N 74 115.573 116.347 -0.774 1
1 843 . 1 1 1 A 75 75 GLY H H 75 7.702 7.641 0.061 1
1 844 . 1 1 1 A 75 75 GLY HA2 H 75 4.274 4.011 0.263 1
1 845 . 1 1 1 A 75 75 GLY HA3 H 75 3.749 4.067 -0.318 1
1 846 . 1 1 1 A 75 75 GLY C C 75 174.007 174.668 -0.661 1
1 847 . 1 1 1 A 75 75 GLY CA C 75 45.133 46.957 -1.824 1
1 848 . 1 1 1 A 75 75 GLY N N 75 105.620 109.311 -3.691 1
1 849 . 1 1 1 A 76 76 ILE H H 76 6.628 7.567 -0.939 1
1 850 . 1 1 1 A 76 76 ILE HA H 76 3.170 3.959 -0.789 1
1 860 . 1 1 1 A 76 76 ILE C C 76 174.607 174.752 -0.145 1
1 861 . 1 1 1 A 76 76 ILE CA C 76 62.037 60.860 1.177 1
1 862 . 1 1 1 A 76 76 ILE CB C 76 36.805 38.651 -1.846 1
1 866 . 1 1 1 A 76 76 ILE N N 76 120.041 120.499 -0.458 1
1 867 . 1 1 1 A 77 77 THR H H 77 8.437 9.052 -0.615 1
1 868 . 1 1 1 A 77 77 THR HA H 77 4.420 4.750 -0.330 1
1 873 . 1 1 1 A 77 77 THR C C 77 172.893 172.752 0.141 1
1 874 . 1 1 1 A 77 77 THR CA C 77 58.687 59.400 -0.713 1
1 875 . 1 1 1 A 77 77 THR CB C 77 70.917 71.094 -0.177 1
1 877 . 1 1 1 A 77 77 THR N N 77 121.014 122.227 -1.213 1
1 878 . 1 1 1 A 78 78 GLU H H 78 8.235 8.632 -0.397 1
1 879 . 1 1 1 A 78 78 GLU HA H 78 4.088 3.999 0.089 1
1 884 . 1 1 1 A 78 78 GLU C C 78 177.242 177.247 -0.005 1
1 885 . 1 1 1 A 78 78 GLU CA C 78 58.254 57.137 1.117 1
1 886 . 1 1 1 A 78 78 GLU CB C 78 29.336 29.997 -0.661 1
1 888 . 1 1 1 A 78 78 GLU N N 78 121.643 124.126 -2.483 1
1 889 . 1 1 1 A 79 79 PHE H H 79 9.152 8.692 0.460 1
1 890 . 1 1 1 A 79 79 PHE HA H 79 4.363 4.045 0.318 1
1 895 . 1 1 1 A 79 79 PHE C C 79 176.385 174.577 1.808 1
1 896 . 1 1 1 A 79 79 PHE CA C 79 59.552 59.271 0.281 1
1 897 . 1 1 1 A 79 79 PHE CB C 79 36.282 35.958 0.324 1
1 899 . 1 1 1 A 79 79 PHE N N 79 118.909 119.391 -0.482 1
1 900 . 1 1 1 A 80 80 SER H H 80 8.341 8.047 0.294 1
1 901 . 1 1 1 A 80 80 SER HA H 80 4.576 4.772 -0.196 1
1 904 . 1 1 1 A 80 80 SER C C 80 171.629 173.804 -2.175 1
1 905 . 1 1 1 A 80 80 SER CA C 80 61.398 58.511 2.887 1
1 906 . 1 1 1 A 80 80 SER CB C 80 64.796 64.598 0.198 1
1 907 . 1 1 1 A 80 80 SER N N 80 118.396 113.982 4.414 1
1 908 . 1 1 1 A 81 81 GLU H H 81 8.692 8.793 -0.101 1
1 909 . 1 1 1 A 81 81 GLU HA H 81 5.115 4.694 0.421 1
1 914 . 1 1 1 A 81 81 GLU C C 81 174.993 175.294 -0.301 1
1 915 . 1 1 1 A 81 81 GLU CA C 81 54.749 55.275 -0.526 1
1 916 . 1 1 1 A 81 81 GLU CB C 81 31.666 30.741 0.925 1
1 918 . 1 1 1 A 81 81 GLU N N 81 122.155 124.304 -2.149 1
1 919 . 1 1 1 A 82 82 ILE H H 82 9.335 9.080 0.255 1
1 920 . 1 1 1 A 82 82 ILE HA H 82 4.796 4.698 0.098 1
1 930 . 1 1 1 A 82 82 ILE C C 82 174.350 175.143 -0.793 1
1 931 . 1 1 1 A 82 82 ILE CA C 82 58.543 59.957 -1.414 1
1 932 . 1 1 1 A 82 82 ILE CB C 82 39.050 37.807 1.243 1
1 936 . 1 1 1 A 82 82 ILE N N 82 127.389 127.851 -0.462 1
1 937 . 1 1 1 A 83 83 VAL H H 83 9.136 9.138 -0.002 1
1 938 . 1 1 1 A 83 83 VAL HA H 83 4.359 4.394 -0.035 1
1 946 . 1 1 1 A 83 83 VAL C C 83 174.971 175.269 -0.298 1
1 947 . 1 1 1 A 83 83 VAL CA C 83 61.756 62.356 -0.600 1
1 948 . 1 1 1 A 83 83 VAL CB C 83 33.537 31.991 1.546 1
1 951 . 1 1 1 A 83 83 VAL N N 83 128.322 128.555 -0.233 1
1 952 . 1 1 1 A 84 84 VAL H H 84 8.019 9.442 -1.423 1
1 953 . 1 1 1 A 84 84 VAL HA H 84 4.524 4.798 -0.274 1
1 961 . 1 1 1 A 84 84 VAL C C 84 175.090 175.043 0.047 1
1 962 . 1 1 1 A 84 84 VAL CA C 84 61.268 61.041 0.227 1
1 963 . 1 1 1 A 84 84 VAL CB C 84 32.543 31.631 0.912 1
1 966 . 1 1 1 A 84 84 VAL N N 84 125.746 128.559 -2.813 1
1 967 . 1 1 1 A 85 85 PHE H H 85 9.165 9.153 0.012 1
1 968 . 1 1 1 A 85 85 PHE HA H 85 4.795 5.088 -0.293 1
1 976 . 1 1 1 A 85 85 PHE C C 85 174.414 175.080 -0.666 1
1 977 . 1 1 1 A 85 85 PHE CA C 85 55.636 57.158 -1.522 1
1 978 . 1 1 1 A 85 85 PHE CB C 85 41.618 40.708 0.910 1
1 982 . 1 1 1 A 85 85 PHE N N 85 126.921 126.699 0.222 1
1 983 . 1 1 1 A 86 86 LEU H H 86 8.314 9.125 -0.811 1
1 984 . 1 1 1 A 86 86 LEU HA H 86 5.103 4.744 0.359 1
1 994 . 1 1 1 A 86 86 LEU C C 86 177.221 176.314 0.907 1
1 995 . 1 1 1 A 86 86 LEU CA C 86 52.667 54.094 -1.427 1
1 996 . 1 1 1 A 86 86 LEU CB C 86 42.493 41.623 0.870 1
1 1000 . 1 1 1 A 86 86 LEU N N 86 122.166 125.837 -3.671 1
1 1001 . 1 1 1 A 87 87 LYS H H 87 9.006 9.324 -0.318 1
1 1002 . 1 1 1 A 87 87 LYS HA H 87 4.276 4.543 -0.267 1
1 1011 . 1 1 1 A 87 87 LYS C C 87 176.685 175.129 1.556 1
1 1012 . 1 1 1 A 87 87 LYS CA C 87 56.069 55.834 0.235 1
1 1013 . 1 1 1 A 87 87 LYS CB C 87 33.751 30.628 3.123 1
1 1017 . 1 1 1 A 87 87 LYS N N 87 124.552 125.570 -1.018 1
1 1018 . 1 1 1 A 88 88 SER H H 88 8.640 7.785 0.855 1
1 1019 . 1 1 1 A 88 88 SER HA H 88 4.461 5.022 -0.561 1
1 1022 . 1 1 1 A 88 88 SER C C 88 174.671 173.605 1.066 1
1 1023 . 1 1 1 A 88 88 SER CA C 88 58.244 57.505 0.739 1
1 1024 . 1 1 1 A 88 88 SER CB C 88 63.518 64.825 -1.307 1
1 1025 . 1 1 1 A 88 88 SER N N 88 118.741 118.169 0.572 1
1 1026 . 1 1 1 A 89 89 ILE H H 89 8.401 8.629 -0.228 1
1 1027 . 1 1 1 A 89 89 ILE HA H 89 4.173 4.633 -0.460 1
1 1037 . 1 1 1 A 89 89 ILE C C 89 175.828 176.848 -1.020 1
1 1038 . 1 1 1 A 89 89 ILE CA C 89 61.240 60.902 0.338 1
1 1039 . 1 1 1 A 89 89 ILE CB C 89 38.930 38.585 0.345 1
1 1043 . 1 1 1 A 89 89 ILE N N 89 122.196 121.028 1.168 1
1 1044 . 1 1 1 A 90 90 ASN H H 90 8.479 8.041 0.438 1
1 1045 . 1 1 1 A 90 90 ASN HA H 90 4.709 4.723 -0.014 1
1 1050 . 1 1 1 A 90 90 ASN C C 90 174.971 175.742 -0.771 1
1 1051 . 1 1 1 A 90 90 ASN CA C 90 52.863 54.923 -2.060 1
1 1052 . 1 1 1 A 90 90 ASN CB C 90 38.726 39.919 -1.193 1
1 1053 . 1 1 1 A 90 90 ASN N N 90 122.645 118.607 4.038 1
1 1055 . 1 1 1 A 91 91 ARG H H 91 8.340 7.597 0.743 1
1 1056 . 1 1 1 A 91 91 ARG HA H 91 4.321 4.839 -0.518 1
1 1063 . 1 1 1 A 91 91 ARG C C 91 175.850 174.422 1.428 1
1 1064 . 1 1 1 A 91 91 ARG CA C 91 55.708 54.661 1.047 1
1 1065 . 1 1 1 A 91 91 ARG CB C 91 30.704 33.148 -2.444 1
1 1068 . 1 1 1 A 91 91 ARG N N 91 122.190 119.312 2.878 1
1 1069 . 1 1 1 A 92 92 ALA H H 92 8.310 8.773 -0.463 1
1 1070 . 1 1 1 A 92 92 ALA HA H 92 4.292 4.453 -0.161 1
1 1074 . 1 1 1 A 92 92 ALA C C 92 177.456 177.245 0.211 1
1 1075 . 1 1 1 A 92 92 ALA CA C 92 52.524 52.852 -0.328 1
1 1076 . 1 1 1 A 92 92 ALA CB C 92 19.254 19.769 -0.515 1
1 1077 . 1 1 1 A 92 92 ALA N N 92 125.492 129.469 -3.977 1
1 1078 . 1 1 1 A 93 93 LYS H H 93 8.189 8.859 -0.670 1
1 1079 . 1 1 1 A 93 93 LYS HA H 93 4.318 5.000 -0.682 1
1 1088 . 1 1 1 A 93 93 LYS C C 93 175.357 173.859 1.498 1
1 1089 . 1 1 1 A 93 93 LYS CA C 93 56.059 54.473 1.586 1
1 1090 . 1 1 1 A 93 93 LYS CB C 93 33.101 36.157 -3.056 1
1 1094 . 1 1 1 A 93 93 LYS N N 93 120.307 117.134 3.173 1
1 1 . 2 1 1 A 11 11 ALA HA H 11 4.252 4.216 0.036 1
1 5 . 2 1 1 A 11 11 ALA CA C 11 52.471 51.440 1.031 1
1 6 . 2 1 1 A 11 11 ALA CB C 11 19.020 18.828 0.192 1
1 7 . 2 1 1 A 12 12 ALA H H 12 8.179 8.432 -0.253 1
1 8 . 2 1 1 A 12 12 ALA HA H 12 4.291 4.276 0.015 1
1 12 . 2 1 1 A 12 12 ALA C C 12 177.662 176.228 1.434 1
1 13 . 2 1 1 A 12 12 ALA CA C 12 52.444 51.850 0.594 1
1 14 . 2 1 1 A 12 12 ALA CB C 12 18.943 17.811 1.132 1
1 15 . 2 1 1 A 12 12 ALA N N 12 123.114 127.178 -4.064 1
1 16 . 2 1 1 A 13 13 VAL H H 13 8.006 8.790 -0.784 1
1 17 . 2 1 1 A 13 13 VAL HA H 13 4.100 4.632 -0.532 1
1 25 . 2 1 1 A 13 13 VAL C C 13 175.990 173.997 1.993 1
1 26 . 2 1 1 A 13 13 VAL CA C 13 62.182 60.437 1.745 1
1 27 . 2 1 1 A 13 13 VAL CB C 13 32.442 32.974 -0.532 1
1 29 . 2 1 1 A 13 13 VAL N N 13 119.213 123.964 -4.751 1
1 30 . 2 1 1 A 14 14 ARG H H 14 8.329 8.659 -0.330 1
1 31 . 2 1 1 A 14 14 ARG HA H 14 4.344 4.661 -0.317 1
1 38 . 2 1 1 A 14 14 ARG C C 14 175.844 175.761 0.083 1
1 39 . 2 1 1 A 14 14 ARG CA C 14 56.071 55.254 0.817 1
1 40 . 2 1 1 A 14 14 ARG CB C 14 31.099 31.582 -0.483 1
1 43 . 2 1 1 A 14 14 ARG N N 14 125.039 128.300 -3.261 1
1 44 . 2 1 1 A 15 15 LYS H H 15 8.147 8.417 -0.270 1
1 45 . 2 1 1 A 15 15 LYS HA H 15 4.552 4.300 0.252 1
1 54 . 2 1 1 A 15 15 LYS C C 15 176.186 176.998 -0.812 1
1 55 . 2 1 1 A 15 15 LYS CA C 15 55.632 56.471 -0.839 1
1 56 . 2 1 1 A 15 15 LYS CB C 15 33.543 33.085 0.458 1
1 60 . 2 1 1 A 15 15 LYS N N 15 121.711 122.749 -1.038 1
1 61 . 2 1 1 A 16 16 ILE H H 16 8.764 8.584 0.180 1
1 62 . 2 1 1 A 16 16 ILE HA H 16 4.508 4.498 0.010 1
1 72 . 2 1 1 A 16 16 ILE C C 16 174.333 175.263 -0.930 1
1 73 . 2 1 1 A 16 16 ILE CA C 16 59.343 59.841 -0.498 1
1 74 . 2 1 1 A 16 16 ILE CB C 16 41.575 39.082 2.493 1
1 78 . 2 1 1 A 16 16 ILE N N 16 116.484 120.300 -3.816 1
1 79 . 2 1 1 A 17 17 HIS H H 17 8.659 8.657 0.002 1
1 80 . 2 1 1 A 17 17 HIS HA H 17 5.130 4.908 0.222 1
1 85 . 2 1 1 A 17 17 HIS C C 17 174.788 175.348 -0.560 1
1 86 . 2 1 1 A 17 17 HIS CA C 17 55.562 54.861 0.701 1
1 87 . 2 1 1 A 17 17 HIS CB C 17 30.047 29.006 1.041 1
1 90 . 2 1 1 A 17 17 HIS N N 17 119.826 122.871 -3.045 1
1 93 . 2 1 1 A 18 18 VAL H H 18 8.788 8.626 0.162 1
1 94 . 2 1 1 A 18 18 VAL HA H 18 4.681 4.590 0.091 1
1 102 . 2 1 1 A 18 18 VAL C C 18 174.631 175.038 -0.407 1
1 103 . 2 1 1 A 18 18 VAL CA C 18 59.568 60.767 -1.199 1
1 104 . 2 1 1 A 18 18 VAL CB C 18 34.191 33.140 1.051 1
1 107 . 2 1 1 A 18 18 VAL N N 18 117.203 120.400 -3.197 1
1 108 . 2 1 1 A 19 19 THR H H 19 8.746 8.957 -0.211 1
1 109 . 2 1 1 A 19 19 THR HA H 19 4.603 4.771 -0.168 1
1 114 . 2 1 1 A 19 19 THR C C 19 172.422 173.877 -1.455 1
1 115 . 2 1 1 A 19 19 THR CA C 19 62.159 62.211 -0.052 1
1 116 . 2 1 1 A 19 19 THR CB C 19 69.640 69.296 0.344 1
1 118 . 2 1 1 A 19 19 THR N N 19 121.216 120.566 0.650 1
1 119 . 2 1 1 A 20 20 VAL H H 20 9.268 9.128 0.140 1
1 120 . 2 1 1 A 20 20 VAL HA H 20 4.426 4.418 0.008 1
1 128 . 2 1 1 A 20 20 VAL C C 20 174.013 174.675 -0.662 1
1 129 . 2 1 1 A 20 20 VAL CA C 20 61.312 61.300 0.012 1
1 130 . 2 1 1 A 20 20 VAL CB C 20 31.567 32.164 -0.597 1
1 133 . 2 1 1 A 20 20 VAL N N 20 128.437 127.912 0.525 1
1 134 . 2 1 1 A 21 21 LYS H H 21 9.147 9.005 0.142 1
1 135 . 2 1 1 A 21 21 LYS HA H 21 4.759 4.729 0.030 1
1 144 . 2 1 1 A 21 21 LYS C C 21 175.935 175.482 0.453 1
1 145 . 2 1 1 A 21 21 LYS CA C 21 55.384 54.885 0.499 1
1 146 . 2 1 1 A 21 21 LYS CB C 21 34.197 33.184 1.013 1
1 150 . 2 1 1 A 21 21 LYS N N 21 126.951 128.028 -1.077 1
1 151 . 2 1 1 A 22 22 PHE H H 22 8.938 9.140 -0.202 1
1 152 . 2 1 1 A 22 22 PHE HA H 22 4.846 4.663 0.183 1
1 158 . 2 1 1 A 22 22 PHE C C 22 174.843 175.890 -1.047 1
1 159 . 2 1 1 A 22 22 PHE CA C 22 56.918 56.520 0.398 1
1 160 . 2 1 1 A 22 22 PHE CB C 22 39.021 40.103 -1.082 1
1 163 . 2 1 1 A 22 22 PHE N N 22 127.843 124.303 3.540 1
1 164 . 2 1 1 A 23 23 PRO HA H 23 4.192 4.372 -0.180 1
1 171 . 2 1 1 A 23 23 PRO C C 23 177.813 177.380 0.433 1
1 172 . 2 1 1 A 23 23 PRO CA C 23 66.150 65.020 1.130 1
1 173 . 2 1 1 A 23 23 PRO CB C 23 31.588 31.866 -0.278 1
1 176 . 2 1 1 A 24 24 SER H H 24 8.115 8.653 -0.538 1
1 177 . 2 1 1 A 24 24 SER HA H 24 4.772 4.652 0.120 1
1 180 . 2 1 1 A 24 24 SER C C 24 173.836 174.419 -0.583 1
1 181 . 2 1 1 A 24 24 SER CA C 24 56.928 59.365 -2.437 1
1 182 . 2 1 1 A 24 24 SER CB C 24 64.789 64.915 -0.126 1
1 183 . 2 1 1 A 24 24 SER N N 24 106.127 112.158 -6.031 1
1 184 . 2 1 1 A 25 25 LYS H H 25 7.321 7.836 -0.515 1
1 185 . 2 1 1 A 25 25 LYS HA H 25 4.739 4.733 0.006 1
1 194 . 2 1 1 A 25 25 LYS C C 25 172.915 173.964 -1.049 1
1 195 . 2 1 1 A 25 25 LYS CA C 25 55.863 55.106 0.757 1
1 196 . 2 1 1 A 25 25 LYS CB C 25 34.621 35.394 -0.773 1
1 200 . 2 1 1 A 25 25 LYS N N 25 118.386 115.210 3.176 1
1 201 . 2 1 1 A 26 26 GLN H H 26 8.566 8.700 -0.134 1
1 202 . 2 1 1 A 26 26 GLN HA H 26 5.708 5.540 0.168 1
1 209 . 2 1 1 A 26 26 GLN C C 26 174.179 174.399 -0.220 1
1 210 . 2 1 1 A 26 26 GLN CA C 26 53.888 54.370 -0.482 1
1 211 . 2 1 1 A 26 26 GLN CB C 26 32.884 32.902 -0.018 1
1 213 . 2 1 1 A 26 26 GLN N N 26 117.444 120.038 -2.594 1
1 215 . 2 1 1 A 27 27 PHE H H 27 8.564 8.655 -0.091 1
1 216 . 2 1 1 A 27 27 PHE HA H 27 5.085 5.338 -0.253 1
1 224 . 2 1 1 A 27 27 PHE C C 27 173.234 172.254 0.980 1
1 225 . 2 1 1 A 27 27 PHE CA C 27 55.993 55.983 0.010 1
1 226 . 2 1 1 A 27 27 PHE CB C 27 40.088 41.583 -1.495 1
1 230 . 2 1 1 A 27 27 PHE N N 27 117.565 121.181 -3.616 1
1 231 . 2 1 1 A 28 28 THR H H 28 8.801 8.675 0.126 1
1 232 . 2 1 1 A 28 28 THR HA H 28 5.419 5.194 0.225 1
1 237 . 2 1 1 A 28 28 THR C C 28 174.650 173.757 0.893 1
1 238 . 2 1 1 A 28 28 THR CA C 28 61.203 61.797 -0.594 1
1 239 . 2 1 1 A 28 28 THR CB C 28 70.508 70.828 -0.320 1
1 241 . 2 1 1 A 28 28 THR N N 28 115.093 116.127 -1.034 1
1 242 . 2 1 1 A 29 29 VAL H H 29 8.983 9.189 -0.206 1
1 243 . 2 1 1 A 29 29 VAL HA H 29 4.549 4.851 -0.302 1
1 251 . 2 1 1 A 29 29 VAL C C 29 173.686 174.562 -0.876 1
1 252 . 2 1 1 A 29 29 VAL CA C 29 60.118 60.398 -0.280 1
1 253 . 2 1 1 A 29 29 VAL CB C 29 35.498 35.473 0.025 1
1 256 . 2 1 1 A 29 29 VAL N N 29 121.743 125.352 -3.609 1
1 257 . 2 1 1 A 30 30 GLU H H 30 8.460 8.681 -0.221 1
1 258 . 2 1 1 A 30 30 GLU HA H 30 4.894 4.839 0.055 1
1 263 . 2 1 1 A 30 30 GLU C C 30 175.807 176.058 -0.251 1
1 264 . 2 1 1 A 30 30 GLU CA C 30 54.922 55.887 -0.965 1
1 265 . 2 1 1 A 30 30 GLU CB C 30 31.123 30.758 0.365 1
1 267 . 2 1 1 A 30 30 GLU N N 30 125.512 126.596 -1.084 1
1 268 . 2 1 1 A 31 31 VAL H H 31 8.917 8.647 0.270 1
1 269 . 2 1 1 A 31 31 VAL HA H 31 4.634 4.845 -0.211 1
1 277 . 2 1 1 A 31 31 VAL C C 31 174.136 173.935 0.201 1
1 278 . 2 1 1 A 31 31 VAL CA C 31 58.299 58.670 -0.371 1
1 279 . 2 1 1 A 31 31 VAL CB C 31 35.067 35.640 -0.573 1
1 282 . 2 1 1 A 31 31 VAL N N 31 118.900 118.008 0.892 1
1 283 . 2 1 1 A 32 32 ASP H H 32 9.032 8.564 0.468 1
1 284 . 2 1 1 A 32 32 ASP HA H 32 4.943 4.636 0.307 1
1 287 . 2 1 1 A 32 32 ASP C C 32 177.992 177.321 0.671 1
1 288 . 2 1 1 A 32 32 ASP CA C 32 53.428 54.209 -0.781 1
1 289 . 2 1 1 A 32 32 ASP CB C 32 42.939 42.856 0.083 1
1 290 . 2 1 1 A 32 32 ASP N N 32 121.708 124.308 -2.600 1
1 291 . 2 1 1 A 33 33 ARG H H 33 8.847 8.832 0.015 1
1 292 . 2 1 1 A 33 33 ARG HA H 33 3.952 4.060 -0.108 1
1 299 . 2 1 1 A 33 33 ARG C C 33 176.257 176.485 -0.228 1
1 300 . 2 1 1 A 33 33 ARG CA C 33 59.113 58.258 0.855 1
1 301 . 2 1 1 A 33 33 ARG CB C 33 30.011 29.854 0.157 1
1 304 . 2 1 1 A 33 33 ARG N N 33 121.873 123.833 -1.960 1
1 305 . 2 1 1 A 34 34 THR H H 34 8.058 8.142 -0.084 1
1 306 . 2 1 1 A 34 34 THR HA H 34 4.350 4.697 -0.347 1
1 311 . 2 1 1 A 34 34 THR C C 34 174.371 174.269 0.102 1
1 312 . 2 1 1 A 34 34 THR CA C 34 60.432 61.717 -1.285 1
1 313 . 2 1 1 A 34 34 THR CB C 34 68.739 69.114 -0.375 1
1 315 . 2 1 1 A 34 34 THR N N 34 104.720 108.120 -3.400 1
1 316 . 2 1 1 A 35 35 GLU H H 35 7.473 7.511 -0.038 1
1 317 . 2 1 1 A 35 35 GLU HA H 35 4.239 4.231 0.008 1
1 322 . 2 1 1 A 35 35 GLU C C 35 176.021 175.937 0.084 1
1 323 . 2 1 1 A 35 35 GLU CA C 35 56.921 56.653 0.268 1
1 324 . 2 1 1 A 35 35 GLU CB C 35 31.086 29.937 1.149 1
1 326 . 2 1 1 A 35 35 GLU N N 35 123.129 123.928 -0.799 1
1 327 . 2 1 1 A 36 36 THR H H 36 8.432 8.622 -0.190 1
1 328 . 2 1 1 A 36 36 THR HA H 36 4.987 5.041 -0.054 1
1 333 . 2 1 1 A 36 36 THR C C 36 175.939 176.430 -0.491 1
1 334 . 2 1 1 A 36 36 THR CA C 36 60.249 60.636 -0.387 1
1 335 . 2 1 1 A 36 36 THR CB C 36 71.783 71.229 0.554 1
1 337 . 2 1 1 A 36 36 THR N N 36 112.476 115.563 -3.087 1
1 338 . 2 1 1 A 37 37 VAL H H 37 8.087 9.235 -1.148 1
1 339 . 2 1 1 A 37 37 VAL HA H 37 3.411 3.676 -0.265 1
1 347 . 2 1 1 A 37 37 VAL C C 37 178.249 177.799 0.450 1
1 348 . 2 1 1 A 37 37 VAL CA C 37 67.397 66.371 1.026 1
1 349 . 2 1 1 A 37 37 VAL CB C 37 31.567 31.629 -0.062 1
1 352 . 2 1 1 A 37 37 VAL N N 37 121.215 122.708 -1.493 1
1 353 . 2 1 1 A 38 38 SER H H 38 8.863 7.812 1.051 1
1 354 . 2 1 1 A 38 38 SER HA H 38 4.760 4.276 0.484 1
1 357 . 2 1 1 A 38 38 SER C C 38 176.814 177.308 -0.494 1
1 358 . 2 1 1 A 38 38 SER CA C 38 57.746 61.639 -3.893 1
1 359 . 2 1 1 A 38 38 SER CB C 38 62.627 63.072 -0.445 1
1 360 . 2 1 1 A 38 38 SER N N 38 112.752 117.135 -4.383 1
1 361 . 2 1 1 A 39 39 SER H H 39 7.999 7.598 0.401 1
1 362 . 2 1 1 A 39 39 SER HA H 39 4.318 4.296 0.022 1
1 365 . 2 1 1 A 39 39 SER C C 39 177.692 176.602 1.090 1
1 366 . 2 1 1 A 39 39 SER CA C 39 61.338 61.802 -0.464 1
1 367 . 2 1 1 A 39 39 SER CB C 39 62.349 63.195 -0.846 1
1 368 . 2 1 1 A 39 39 SER N N 39 117.918 116.826 1.092 1
1 369 . 2 1 1 A 40 40 LEU H H 40 8.227 8.024 0.203 1
1 370 . 2 1 1 A 40 40 LEU HA H 40 4.104 4.151 -0.047 1
1 380 . 2 1 1 A 40 40 LEU C C 40 178.420 178.683 -0.263 1
1 381 . 2 1 1 A 40 40 LEU CA C 40 58.235 58.246 -0.011 1
1 382 . 2 1 1 A 40 40 LEU CB C 40 40.797 41.926 -1.129 1
1 386 . 2 1 1 A 40 40 LEU N N 40 123.592 123.316 0.276 1
1 387 . 2 1 1 A 41 41 LYS H H 41 8.470 8.158 0.312 1
1 388 . 2 1 1 A 41 41 LYS HA H 41 3.824 4.019 -0.195 1
1 397 . 2 1 1 A 41 41 LYS C C 41 178.476 178.738 -0.262 1
1 398 . 2 1 1 A 41 41 LYS CA C 41 61.313 60.173 1.140 1
1 399 . 2 1 1 A 41 41 LYS CB C 41 32.414 32.050 0.364 1
1 403 . 2 1 1 A 41 41 LYS N N 41 118.401 118.374 0.027 1
1 404 . 2 1 1 A 42 42 ASP H H 42 7.956 8.289 -0.333 1
1 405 . 2 1 1 A 42 42 ASP HA H 42 4.447 4.339 0.108 1
1 408 . 2 1 1 A 42 42 ASP C C 42 178.806 179.125 -0.319 1
1 409 . 2 1 1 A 42 42 ASP CA C 42 57.802 57.561 0.241 1
1 410 . 2 1 1 A 42 42 ASP CB C 42 40.585 42.009 -1.424 1
1 411 . 2 1 1 A 42 42 ASP N N 42 119.295 120.112 -0.817 1
1 412 . 2 1 1 A 43 43 LYS H H 43 8.024 7.813 0.211 1
1 413 . 2 1 1 A 43 43 LYS HA H 43 4.039 4.123 -0.084 1
1 422 . 2 1 1 A 43 43 LYS C C 43 179.941 179.466 0.475 1
1 423 . 2 1 1 A 43 43 LYS CA C 43 60.014 59.294 0.720 1
1 424 . 2 1 1 A 43 43 LYS CB C 43 32.865 32.157 0.708 1
1 428 . 2 1 1 A 43 43 LYS N N 43 119.784 117.416 2.368 1
1 429 . 2 1 1 A 44 44 ILE H H 44 8.480 7.902 0.578 1
1 430 . 2 1 1 A 44 44 ILE HA H 44 3.702 3.848 -0.146 1
1 440 . 2 1 1 A 44 44 ILE C C 44 177.328 178.491 -1.163 1
1 441 . 2 1 1 A 44 44 ILE CA C 44 65.725 65.256 0.469 1
1 442 . 2 1 1 A 44 44 ILE CB C 44 38.110 37.557 0.553 1
1 446 . 2 1 1 A 44 44 ILE N N 44 119.363 120.611 -1.248 1
1 447 . 2 1 1 A 45 45 HIS H H 45 8.635 8.339 0.296 1
1 448 . 2 1 1 A 45 45 HIS HA H 45 4.471 4.272 0.199 1
1 453 . 2 1 1 A 45 45 HIS C C 45 176.407 177.207 -0.800 1
1 454 . 2 1 1 A 45 45 HIS CA C 45 58.451 59.619 -1.168 1
1 455 . 2 1 1 A 45 45 HIS CB C 45 28.055 29.626 -1.571 1
1 458 . 2 1 1 A 45 45 HIS N N 45 118.889 119.869 -0.980 1
1 461 . 2 1 1 A 46 46 ILE H H 46 7.868 7.664 0.204 1
1 462 . 2 1 1 A 46 46 ILE HA H 46 3.571 3.675 -0.104 1
1 472 . 2 1 1 A 46 46 ILE C C 46 177.371 178.167 -0.796 1
1 473 . 2 1 1 A 46 46 ILE CA C 46 63.925 63.853 0.072 1
1 474 . 2 1 1 A 46 46 ILE CB C 46 37.704 37.284 0.420 1
1 478 . 2 1 1 A 46 46 ILE N N 46 118.414 119.236 -0.822 1
1 479 . 2 1 1 A 47 47 VAL H H 47 7.223 8.157 -0.934 1
1 480 . 2 1 1 A 47 47 VAL HA H 47 3.684 3.559 0.125 1
1 488 . 2 1 1 A 47 47 VAL C C 47 176.706 176.236 0.470 1
1 489 . 2 1 1 A 47 47 VAL CA C 47 64.807 66.030 -1.223 1
1 490 . 2 1 1 A 47 47 VAL CB C 47 32.209 31.967 0.242 1
1 493 . 2 1 1 A 47 47 VAL N N 47 116.982 120.269 -3.287 1
1 494 . 2 1 1 A 48 48 GLU H H 48 8.090 8.289 -0.199 1
1 495 . 2 1 1 A 48 48 GLU HA H 48 4.271 4.426 -0.155 1
1 500 . 2 1 1 A 48 48 GLU C C 48 176.042 177.023 -0.981 1
1 501 . 2 1 1 A 48 48 GLU CA C 48 55.062 54.912 0.150 1
1 502 . 2 1 1 A 48 48 GLU CB C 48 31.544 31.567 -0.023 1
1 504 . 2 1 1 A 48 48 GLU N N 48 118.849 119.040 -0.191 1
1 505 . 2 1 1 A 49 49 ASN H H 49 8.113 8.722 -0.609 1
1 506 . 2 1 1 A 49 49 ASN HA H 49 4.137 4.676 -0.539 1
1 511 . 2 1 1 A 49 49 ASN C C 49 174.993 175.950 -0.957 1
1 512 . 2 1 1 A 49 49 ASN CA C 49 54.287 54.392 -0.105 1
1 513 . 2 1 1 A 49 49 ASN CB C 49 37.647 40.123 -2.476 1
1 514 . 2 1 1 A 49 49 ASN N N 49 118.695 120.375 -1.680 1
1 516 . 2 1 1 A 50 50 THR H H 50 7.780 7.827 -0.047 1
1 517 . 2 1 1 A 50 50 THR HA H 50 4.483 4.450 0.033 1
1 522 . 2 1 1 A 50 50 THR C C 50 173.107 173.070 0.037 1
1 523 . 2 1 1 A 50 50 THR CA C 50 61.094 61.260 -0.166 1
1 524 . 2 1 1 A 50 50 THR CB C 50 70.926 69.630 1.296 1
1 526 . 2 1 1 A 50 50 THR N N 50 118.434 114.645 3.789 1
1 527 . 2 1 1 A 51 51 PRO HA H 51 4.485 4.582 -0.097 1
1 534 . 2 1 1 A 51 51 PRO C C 51 178.067 177.484 0.583 1
1 535 . 2 1 1 A 51 51 PRO CA C 51 63.075 62.998 0.077 1
1 536 . 2 1 1 A 51 51 PRO CB C 51 31.996 32.788 -0.792 1
1 539 . 2 1 1 A 52 52 ILE H H 52 8.530 8.209 0.321 1
1 540 . 2 1 1 A 52 52 ILE HA H 52 3.764 3.859 -0.095 1
1 550 . 2 1 1 A 52 52 ILE C C 52 179.363 178.009 1.354 1
1 551 . 2 1 1 A 52 52 ILE CA C 52 64.855 63.892 0.963 1
1 552 . 2 1 1 A 52 52 ILE CB C 52 38.109 37.738 0.371 1
1 556 . 2 1 1 A 52 52 ILE N N 52 125.501 122.746 2.755 1
1 557 . 2 1 1 A 53 53 LYS H H 53 8.603 7.970 0.633 1
1 558 . 2 1 1 A 53 53 LYS HA H 53 4.180 4.244 -0.064 1
1 567 . 2 1 1 A 53 53 LYS C C 53 177.113 177.372 -0.259 1
1 568 . 2 1 1 A 53 53 LYS CA C 53 57.816 58.525 -0.709 1
1 569 . 2 1 1 A 53 53 LYS CB C 53 31.992 32.189 -0.197 1
1 573 . 2 1 1 A 53 53 LYS N N 53 117.464 120.203 -2.739 1
1 574 . 2 1 1 A 54 54 ARG H H 54 7.479 7.497 -0.018 1
1 575 . 2 1 1 A 54 54 ARG HA H 54 4.361 4.428 -0.067 1
1 582 . 2 1 1 A 54 54 ARG C C 54 175.507 176.001 -0.494 1
1 583 . 2 1 1 A 54 54 ARG CA C 54 56.051 55.908 0.143 1
1 584 . 2 1 1 A 54 54 ARG CB C 54 31.559 31.074 0.485 1
1 587 . 2 1 1 A 54 54 ARG N N 54 114.601 116.922 -2.321 1
1 588 . 2 1 1 A 55 55 MET H H 55 7.479 7.228 0.251 1
1 589 . 2 1 1 A 55 55 MET HA H 55 4.435 5.083 -0.648 1
1 597 . 2 1 1 A 55 55 MET C C 55 175.276 174.445 0.831 1
1 598 . 2 1 1 A 55 55 MET CA C 55 57.365 53.568 3.797 1
1 599 . 2 1 1 A 55 55 MET CB C 55 35.142 34.485 0.657 1
1 602 . 2 1 1 A 55 55 MET N N 55 116.986 116.366 0.620 1
1 603 . 2 1 1 A 56 56 GLN H H 56 8.958 9.353 -0.395 1
1 604 . 2 1 1 A 56 56 GLN HA H 56 4.502 5.057 -0.555 1
1 611 . 2 1 1 A 56 56 GLN C C 56 173.429 174.367 -0.938 1
1 612 . 2 1 1 A 56 56 GLN CA C 56 54.982 54.167 0.815 1
1 613 . 2 1 1 A 56 56 GLN CB C 56 32.420 32.216 0.204 1
1 615 . 2 1 1 A 56 56 GLN N N 56 124.094 123.289 0.805 1
1 617 . 2 1 1 A 57 57 LEU H H 57 8.603 8.737 -0.134 1
1 618 . 2 1 1 A 57 57 LEU HA H 57 5.190 5.004 0.186 1
1 628 . 2 1 1 A 57 57 LEU C C 57 175.421 175.686 -0.265 1
1 629 . 2 1 1 A 57 57 LEU CA C 57 53.437 53.819 -0.382 1
1 630 . 2 1 1 A 57 57 LEU CB C 57 44.367 43.222 1.145 1
1 634 . 2 1 1 A 57 57 LEU N N 57 124.534 127.443 -2.909 1
1 635 . 2 1 1 A 58 58 TYR H H 58 9.319 9.249 0.070 1
1 636 . 2 1 1 A 58 58 TYR HA H 58 5.145 5.630 -0.485 1
1 643 . 2 1 1 A 58 58 TYR C C 58 174.821 174.428 0.393 1
1 644 . 2 1 1 A 58 58 TYR CA C 58 56.503 56.491 0.012 1
1 645 . 2 1 1 A 58 58 TYR CB C 58 43.323 40.746 2.577 1
1 648 . 2 1 1 A 58 58 TYR N N 58 119.746 123.243 -3.497 1
1 649 . 2 1 1 A 59 59 TYR H H 59 8.993 9.219 -0.226 1
1 650 . 2 1 1 A 59 59 TYR HA H 59 5.173 4.853 0.320 1
1 657 . 2 1 1 A 59 59 TYR C C 59 174.980 175.228 -0.248 1
1 658 . 2 1 1 A 59 59 TYR CA C 59 55.625 57.122 -1.497 1
1 659 . 2 1 1 A 59 59 TYR CB C 59 41.981 39.195 2.786 1
1 662 . 2 1 1 A 59 59 TYR N N 59 120.286 126.685 -6.399 1
1 663 . 2 1 1 A 60 60 SER H H 60 9.320 9.333 -0.013 1
1 664 . 2 1 1 A 60 60 SER HA H 60 3.668 4.047 -0.379 1
1 667 . 2 1 1 A 60 60 SER C C 60 174.893 174.310 0.583 1
1 668 . 2 1 1 A 60 60 SER CA C 60 57.815 59.136 -1.321 1
1 669 . 2 1 1 A 60 60 SER CB C 60 62.602 61.358 1.244 1
1 670 . 2 1 1 A 60 60 SER N N 60 125.263 122.929 2.334 1
1 671 . 2 1 1 A 61 61 GLY H H 61 8.649 8.426 0.223 1
1 672 . 2 1 1 A 61 61 GLY HA2 H 61 4.035 4.067 -0.032 1
1 673 . 2 1 1 A 61 61 GLY HA3 H 61 3.409 4.115 -0.706 1
1 674 . 2 1 1 A 61 61 GLY C C 61 173.346 174.423 -1.077 1
1 675 . 2 1 1 A 61 61 GLY CA C 61 44.726 45.059 -0.333 1
1 676 . 2 1 1 A 62 62 ILE H H 62 8.128 8.051 0.077 1
1 677 . 2 1 1 A 62 62 ILE HA H 62 4.304 4.092 0.212 1
1 687 . 2 1 1 A 62 62 ILE C C 62 174.950 175.448 -0.498 1
1 688 . 2 1 1 A 62 62 ILE CA C 62 59.396 60.476 -1.080 1
1 689 . 2 1 1 A 62 62 ILE CB C 62 39.110 37.269 1.841 1
1 693 . 2 1 1 A 62 62 ILE N N 62 123.077 122.458 0.619 1
1 694 . 2 1 1 A 63 63 GLU H H 63 8.697 8.792 -0.095 1
1 695 . 2 1 1 A 63 63 GLU HA H 63 3.534 4.010 -0.476 1
1 700 . 2 1 1 A 63 63 GLU C C 63 177.156 175.420 1.736 1
1 701 . 2 1 1 A 63 63 GLU CA C 63 55.231 56.038 -0.807 1
1 702 . 2 1 1 A 63 63 GLU CB C 63 29.804 29.602 0.202 1
1 704 . 2 1 1 A 63 63 GLU N N 63 127.682 128.386 -0.704 1
1 705 . 2 1 1 A 64 64 LEU H H 64 8.791 8.738 0.053 1
1 706 . 2 1 1 A 64 64 LEU HA H 64 3.954 4.002 -0.048 1
1 716 . 2 1 1 A 64 64 LEU C C 64 176.428 176.508 -0.080 1
1 717 . 2 1 1 A 64 64 LEU CA C 64 52.211 54.096 -1.885 1
1 718 . 2 1 1 A 64 64 LEU CB C 64 37.239 40.344 -3.105 1
1 722 . 2 1 1 A 64 64 LEU N N 64 130.005 128.273 1.732 1
1 723 . 2 1 1 A 65 65 ALA H H 65 7.369 8.158 -0.789 1
1 724 . 2 1 1 A 65 65 ALA HA H 65 4.052 4.263 -0.211 1
1 728 . 2 1 1 A 65 65 ALA C C 65 176.322 177.117 -0.795 1
1 729 . 2 1 1 A 65 65 ALA CA C 65 53.207 54.039 -0.832 1
1 730 . 2 1 1 A 65 65 ALA CB C 65 20.170 19.451 0.719 1
1 731 . 2 1 1 A 65 65 ALA N N 65 124.744 128.018 -3.274 1
1 732 . 2 1 1 A 66 66 ASP H H 66 7.472 7.392 0.080 1
1 733 . 2 1 1 A 66 66 ASP HA H 66 4.857 4.634 0.223 1
1 736 . 2 1 1 A 66 66 ASP C C 66 175.635 175.850 -0.215 1
1 737 . 2 1 1 A 66 66 ASP CA C 66 52.192 53.572 -1.380 1
1 738 . 2 1 1 A 66 66 ASP CB C 66 41.603 40.211 1.392 1
1 739 . 2 1 1 A 66 66 ASP N N 66 117.457 118.102 -0.645 1
1 740 . 2 1 1 A 67 67 ASP H H 67 8.541 9.080 -0.539 1
1 741 . 2 1 1 A 67 67 ASP HA H 67 4.209 4.323 -0.114 1
1 744 . 2 1 1 A 67 67 ASP C C 67 176.292 177.169 -0.877 1
1 745 . 2 1 1 A 67 67 ASP CA C 67 56.925 56.697 0.228 1
1 746 . 2 1 1 A 67 67 ASP CB C 67 40.835 40.506 0.329 1
1 747 . 2 1 1 A 67 67 ASP N N 67 124.544 126.601 -2.057 1
1 748 . 2 1 1 A 68 68 TYR H H 68 7.701 7.570 0.131 1
1 749 . 2 1 1 A 68 68 TYR HA H 68 4.589 4.495 0.094 1
1 756 . 2 1 1 A 68 68 TYR C C 68 175.742 176.123 -0.381 1
1 757 . 2 1 1 A 68 68 TYR CA C 68 56.622 58.194 -1.572 1
1 758 . 2 1 1 A 68 68 TYR CB C 68 37.607 38.641 -1.034 1
1 761 . 2 1 1 A 68 68 TYR N N 68 112.752 115.595 -2.843 1
1 762 . 2 1 1 A 69 69 ARG H H 69 7.182 7.099 0.083 1
1 763 . 2 1 1 A 69 69 ARG HA H 69 4.245 4.314 -0.069 1
1 771 . 2 1 1 A 69 69 ARG C C 69 175.443 175.928 -0.485 1
1 772 . 2 1 1 A 69 69 ARG CA C 69 56.056 55.584 0.472 1
1 773 . 2 1 1 A 69 69 ARG CB C 69 31.536 30.855 0.681 1
1 776 . 2 1 1 A 69 69 ARG N N 69 122.155 122.781 -0.626 1
1 778 . 2 1 1 A 70 70 ASN H H 70 8.749 8.752 -0.003 1
1 779 . 2 1 1 A 70 70 ASN HA H 70 5.068 4.929 0.139 1
1 784 . 2 1 1 A 70 70 ASN C C 70 177.349 177.148 0.201 1
1 785 . 2 1 1 A 70 70 ASN CA C 70 52.528 53.254 -0.726 1
1 786 . 2 1 1 A 70 70 ASN CB C 70 39.856 39.381 0.475 1
1 787 . 2 1 1 A 70 70 ASN N N 70 120.300 120.544 -0.244 1
1 789 . 2 1 1 A 71 71 LEU H H 71 8.603 9.063 -0.460 1
1 790 . 2 1 1 A 71 71 LEU HA H 71 3.943 4.050 -0.107 1
1 800 . 2 1 1 A 71 71 LEU C C 71 179.470 179.083 0.387 1
1 801 . 2 1 1 A 71 71 LEU CA C 71 58.074 57.793 0.281 1
1 802 . 2 1 1 A 71 71 LEU CB C 71 39.446 41.459 -2.013 1
1 806 . 2 1 1 A 71 71 LEU N N 71 118.872 123.794 -4.922 1
1 807 . 2 1 1 A 72 72 ASN H H 72 8.561 8.583 -0.022 1
1 808 . 2 1 1 A 72 72 ASN HA H 72 4.394 4.330 0.064 1
1 813 . 2 1 1 A 72 72 ASN C C 72 178.592 177.408 1.184 1
1 814 . 2 1 1 A 72 72 ASN CA C 72 56.065 55.659 0.406 1
1 815 . 2 1 1 A 72 72 ASN CB C 72 37.663 37.231 0.432 1
1 816 . 2 1 1 A 72 72 ASN N N 72 115.744 117.021 -1.277 1
1 818 . 2 1 1 A 73 73 GLU H H 73 7.979 8.056 -0.077 1
1 819 . 2 1 1 A 73 73 GLU HA H 73 4.041 3.908 0.133 1
1 824 . 2 1 1 A 73 73 GLU C C 73 177.778 177.505 0.273 1
1 825 . 2 1 1 A 73 73 GLU CA C 73 58.680 59.211 -0.531 1
1 826 . 2 1 1 A 73 73 GLU CB C 73 29.114 29.333 -0.219 1
1 828 . 2 1 1 A 73 73 GLU N N 73 121.014 119.979 1.035 1
1 829 . 2 1 1 A 74 74 TYR H H 74 7.500 7.219 0.281 1
1 830 . 2 1 1 A 74 74 TYR HA H 74 4.567 4.575 -0.008 1
1 837 . 2 1 1 A 74 74 TYR C C 74 175.592 175.819 -0.227 1
1 838 . 2 1 1 A 74 74 TYR CA C 74 58.790 57.529 1.261 1
1 839 . 2 1 1 A 74 74 TYR CB C 74 39.440 38.706 0.734 1
1 842 . 2 1 1 A 74 74 TYR N N 74 115.573 116.167 -0.594 1
1 843 . 2 1 1 A 75 75 GLY H H 75 7.702 7.865 -0.163 1
1 844 . 2 1 1 A 75 75 GLY HA2 H 75 4.274 3.946 0.328 1
1 845 . 2 1 1 A 75 75 GLY HA3 H 75 3.749 3.985 -0.236 1
1 846 . 2 1 1 A 75 75 GLY C C 75 174.007 174.622 -0.615 1
1 847 . 2 1 1 A 75 75 GLY CA C 75 45.133 46.555 -1.422 1
1 848 . 2 1 1 A 75 75 GLY N N 75 105.620 109.244 -3.624 1
1 849 . 2 1 1 A 76 76 ILE H H 76 6.628 8.121 -1.493 1
1 850 . 2 1 1 A 76 76 ILE HA H 76 3.170 3.614 -0.444 1
1 860 . 2 1 1 A 76 76 ILE C C 76 174.607 175.015 -0.408 1
1 861 . 2 1 1 A 76 76 ILE CA C 76 62.037 61.267 0.770 1
1 862 . 2 1 1 A 76 76 ILE CB C 76 36.805 37.195 -0.390 1
1 866 . 2 1 1 A 76 76 ILE N N 76 120.041 122.091 -2.050 1
1 867 . 2 1 1 A 77 77 THR H H 77 8.437 8.797 -0.360 1
1 868 . 2 1 1 A 77 77 THR HA H 77 4.420 4.771 -0.351 1
1 873 . 2 1 1 A 77 77 THR C C 77 172.893 172.425 0.468 1
1 874 . 2 1 1 A 77 77 THR CA C 77 58.687 59.302 -0.615 1
1 875 . 2 1 1 A 77 77 THR CB C 77 70.917 71.103 -0.186 1
1 877 . 2 1 1 A 77 77 THR N N 77 121.014 122.071 -1.057 1
1 878 . 2 1 1 A 78 78 GLU H H 78 8.235 8.633 -0.398 1
1 879 . 2 1 1 A 78 78 GLU HA H 78 4.088 4.020 0.068 1
1 884 . 2 1 1 A 78 78 GLU C C 78 177.242 177.377 -0.135 1
1 885 . 2 1 1 A 78 78 GLU CA C 78 58.254 57.432 0.822 1
1 886 . 2 1 1 A 78 78 GLU CB C 78 29.336 30.078 -0.742 1
1 888 . 2 1 1 A 78 78 GLU N N 78 121.643 124.126 -2.483 1
1 889 . 2 1 1 A 79 79 PHE H H 79 9.152 8.744 0.408 1
1 890 . 2 1 1 A 79 79 PHE HA H 79 4.363 4.039 0.324 1
1 895 . 2 1 1 A 79 79 PHE C C 79 176.385 174.539 1.846 1
1 896 . 2 1 1 A 79 79 PHE CA C 79 59.552 59.135 0.417 1
1 897 . 2 1 1 A 79 79 PHE CB C 79 36.282 35.844 0.438 1
1 899 . 2 1 1 A 79 79 PHE N N 79 118.909 119.490 -0.581 1
1 900 . 2 1 1 A 80 80 SER H H 80 8.341 7.937 0.404 1
1 901 . 2 1 1 A 80 80 SER HA H 80 4.576 4.714 -0.138 1
1 904 . 2 1 1 A 80 80 SER C C 80 171.629 173.597 -1.968 1
1 905 . 2 1 1 A 80 80 SER CA C 80 61.398 58.082 3.316 1
1 906 . 2 1 1 A 80 80 SER CB C 80 64.796 64.305 0.491 1
1 907 . 2 1 1 A 80 80 SER N N 80 118.396 113.570 4.826 1
1 908 . 2 1 1 A 81 81 GLU H H 81 8.692 8.578 0.114 1
1 909 . 2 1 1 A 81 81 GLU HA H 81 5.115 4.545 0.570 1
1 914 . 2 1 1 A 81 81 GLU C C 81 174.993 175.263 -0.270 1
1 915 . 2 1 1 A 81 81 GLU CA C 81 54.749 55.429 -0.680 1
1 916 . 2 1 1 A 81 81 GLU CB C 81 31.666 30.522 1.144 1
1 918 . 2 1 1 A 81 81 GLU N N 81 122.155 124.639 -2.484 1
1 919 . 2 1 1 A 82 82 ILE H H 82 9.335 9.268 0.067 1
1 920 . 2 1 1 A 82 82 ILE HA H 82 4.796 5.006 -0.210 1
1 930 . 2 1 1 A 82 82 ILE C C 82 174.350 175.073 -0.723 1
1 931 . 2 1 1 A 82 82 ILE CA C 82 58.543 59.774 -1.231 1
1 932 . 2 1 1 A 82 82 ILE CB C 82 39.050 38.227 0.823 1
1 936 . 2 1 1 A 82 82 ILE N N 82 127.389 128.033 -0.644 1
1 937 . 2 1 1 A 83 83 VAL H H 83 9.136 9.315 -0.179 1
1 938 . 2 1 1 A 83 83 VAL HA H 83 4.359 4.305 0.054 1
1 946 . 2 1 1 A 83 83 VAL C C 83 174.971 175.268 -0.297 1
1 947 . 2 1 1 A 83 83 VAL CA C 83 61.756 62.120 -0.364 1
1 948 . 2 1 1 A 83 83 VAL CB C 83 33.537 31.977 1.560 1
1 951 . 2 1 1 A 83 83 VAL N N 83 128.322 128.508 -0.186 1
1 952 . 2 1 1 A 84 84 VAL H H 84 8.019 9.153 -1.134 1
1 953 . 2 1 1 A 84 84 VAL HA H 84 4.524 4.788 -0.264 1
1 961 . 2 1 1 A 84 84 VAL C C 84 175.090 174.947 0.143 1
1 962 . 2 1 1 A 84 84 VAL CA C 84 61.268 61.099 0.169 1
1 963 . 2 1 1 A 84 84 VAL CB C 84 32.543 31.360 1.183 1
1 966 . 2 1 1 A 84 84 VAL N N 84 125.746 128.233 -2.487 1
1 967 . 2 1 1 A 85 85 PHE H H 85 9.165 8.981 0.184 1
1 968 . 2 1 1 A 85 85 PHE HA H 85 4.795 4.913 -0.118 1
1 976 . 2 1 1 A 85 85 PHE C C 85 174.414 175.119 -0.705 1
1 977 . 2 1 1 A 85 85 PHE CA C 85 55.636 57.172 -1.536 1
1 978 . 2 1 1 A 85 85 PHE CB C 85 41.618 40.681 0.937 1
1 982 . 2 1 1 A 85 85 PHE N N 85 126.921 126.867 0.054 1
1 983 . 2 1 1 A 86 86 LEU H H 86 8.314 8.998 -0.684 1
1 984 . 2 1 1 A 86 86 LEU HA H 86 5.103 4.745 0.358 1
1 994 . 2 1 1 A 86 86 LEU C C 86 177.221 176.396 0.825 1
1 995 . 2 1 1 A 86 86 LEU CA C 86 52.667 53.726 -1.059 1
1 996 . 2 1 1 A 86 86 LEU CB C 86 42.493 43.032 -0.539 1
1 1000 . 2 1 1 A 86 86 LEU N N 86 122.166 124.049 -1.883 1
1 1001 . 2 1 1 A 87 87 LYS H H 87 9.006 9.085 -0.079 1
1 1002 . 2 1 1 A 87 87 LYS HA H 87 4.276 4.377 -0.101 1
1 1011 . 2 1 1 A 87 87 LYS C C 87 176.685 176.819 -0.134 1
1 1012 . 2 1 1 A 87 87 LYS CA C 87 56.069 58.150 -2.081 1
1 1013 . 2 1 1 A 87 87 LYS CB C 87 33.751 33.057 0.694 1
1 1017 . 2 1 1 A 87 87 LYS N N 87 124.552 125.601 -1.049 1
1 1018 . 2 1 1 A 88 88 SER H H 88 8.640 7.921 0.719 1
1 1019 . 2 1 1 A 88 88 SER HA H 88 4.461 5.016 -0.555 1
1 1022 . 2 1 1 A 88 88 SER C C 88 174.671 173.361 1.310 1
1 1023 . 2 1 1 A 88 88 SER CA C 88 58.244 57.588 0.656 1
1 1024 . 2 1 1 A 88 88 SER CB C 88 63.518 65.239 -1.721 1
1 1025 . 2 1 1 A 88 88 SER N N 88 118.741 112.209 6.532 1
1 1026 . 2 1 1 A 89 89 ILE H H 89 8.401 8.792 -0.391 1
1 1027 . 2 1 1 A 89 89 ILE HA H 89 4.173 4.648 -0.475 1
1 1037 . 2 1 1 A 89 89 ILE C C 89 175.828 175.402 0.426 1
1 1038 . 2 1 1 A 89 89 ILE CA C 89 61.240 60.306 0.934 1
1 1039 . 2 1 1 A 89 89 ILE CB C 89 38.930 38.255 0.675 1
1 1043 . 2 1 1 A 89 89 ILE N N 89 122.196 123.450 -1.254 1
1 1044 . 2 1 1 A 90 90 ASN H H 90 8.479 8.797 -0.318 1
1 1045 . 2 1 1 A 90 90 ASN HA H 90 4.709 5.485 -0.776 1
1 1050 . 2 1 1 A 90 90 ASN C C 90 174.971 174.506 0.465 1
1 1051 . 2 1 1 A 90 90 ASN CA C 90 52.863 52.522 0.341 1
1 1052 . 2 1 1 A 90 90 ASN CB C 90 38.726 39.268 -0.542 1
1 1053 . 2 1 1 A 90 90 ASN N N 90 122.645 124.851 -2.206 1
1 1055 . 2 1 1 A 91 91 ARG H H 91 8.340 8.412 -0.072 1
1 1056 . 2 1 1 A 91 91 ARG HA H 91 4.321 4.447 -0.126 1
1 1063 . 2 1 1 A 91 91 ARG C C 91 175.850 176.036 -0.186 1
1 1064 . 2 1 1 A 91 91 ARG CA C 91 55.708 56.282 -0.574 1
1 1065 . 2 1 1 A 91 91 ARG CB C 91 30.704 29.919 0.785 1
1 1068 . 2 1 1 A 91 91 ARG N N 91 122.190 124.980 -2.790 1
1 1069 . 2 1 1 A 92 92 ALA H H 92 8.310 8.361 -0.051 1
1 1070 . 2 1 1 A 92 92 ALA HA H 92 4.292 4.144 0.148 1
1 1074 . 2 1 1 A 92 92 ALA C C 92 177.456 179.063 -1.607 1
1 1075 . 2 1 1 A 92 92 ALA CA C 92 52.524 55.566 -3.042 1
1 1076 . 2 1 1 A 92 92 ALA CB C 92 19.254 18.848 0.406 1
1 1077 . 2 1 1 A 92 92 ALA N N 92 125.492 129.131 -3.639 1
1 1078 . 2 1 1 A 93 93 LYS H H 93 8.189 7.931 0.258 1
1 1079 . 2 1 1 A 93 93 LYS HA H 93 4.318 4.227 0.091 1
1 1088 . 2 1 1 A 93 93 LYS C C 93 175.357 176.551 -1.194 1
1 1089 . 2 1 1 A 93 93 LYS CA C 93 56.059 57.787 -1.728 1
1 1090 . 2 1 1 A 93 93 LYS CB C 93 33.101 32.684 0.417 1
1 1094 . 2 1 1 A 93 93 LYS N N 93 120.307 117.766 2.541 1
1 1 . 3 1 1 A 11 11 ALA HA H 11 4.252 4.452 -0.200 1
1 5 . 3 1 1 A 11 11 ALA CA C 11 52.471 50.353 2.118 1
1 6 . 3 1 1 A 11 11 ALA CB C 11 19.020 21.322 -2.302 1
1 7 . 3 1 1 A 12 12 ALA H H 12 8.179 8.596 -0.417 1
1 8 . 3 1 1 A 12 12 ALA HA H 12 4.291 4.538 -0.247 1
1 12 . 3 1 1 A 12 12 ALA C C 12 177.662 177.022 0.640 1
1 13 . 3 1 1 A 12 12 ALA CA C 12 52.444 52.178 0.266 1
1 14 . 3 1 1 A 12 12 ALA CB C 12 18.943 19.217 -0.274 1
1 15 . 3 1 1 A 12 12 ALA N N 12 123.114 122.218 0.896 1
1 16 . 3 1 1 A 13 13 VAL H H 13 8.006 7.329 0.677 1
1 17 . 3 1 1 A 13 13 VAL HA H 13 4.100 4.084 0.016 1
1 25 . 3 1 1 A 13 13 VAL C C 13 175.990 174.690 1.300 1
1 26 . 3 1 1 A 13 13 VAL CA C 13 62.182 62.281 -0.099 1
1 27 . 3 1 1 A 13 13 VAL CB C 13 32.442 32.473 -0.031 1
1 29 . 3 1 1 A 13 13 VAL N N 13 119.213 119.158 0.055 1
1 30 . 3 1 1 A 14 14 ARG H H 14 8.329 8.543 -0.214 1
1 31 . 3 1 1 A 14 14 ARG HA H 14 4.344 4.586 -0.242 1
1 38 . 3 1 1 A 14 14 ARG C C 14 175.844 175.781 0.063 1
1 39 . 3 1 1 A 14 14 ARG CA C 14 56.071 54.949 1.122 1
1 40 . 3 1 1 A 14 14 ARG CB C 14 31.099 32.252 -1.153 1
1 43 . 3 1 1 A 14 14 ARG N N 14 125.039 128.208 -3.169 1
1 44 . 3 1 1 A 15 15 LYS H H 15 8.147 8.472 -0.325 1
1 45 . 3 1 1 A 15 15 LYS HA H 15 4.552 4.393 0.159 1
1 54 . 3 1 1 A 15 15 LYS C C 15 176.186 176.658 -0.472 1
1 55 . 3 1 1 A 15 15 LYS CA C 15 55.632 56.370 -0.738 1
1 56 . 3 1 1 A 15 15 LYS CB C 15 33.543 33.244 0.299 1
1 60 . 3 1 1 A 15 15 LYS N N 15 121.711 122.107 -0.396 1
1 61 . 3 1 1 A 16 16 ILE H H 16 8.764 9.317 -0.553 1
1 62 . 3 1 1 A 16 16 ILE HA H 16 4.508 4.806 -0.298 1
1 72 . 3 1 1 A 16 16 ILE C C 16 174.333 174.343 -0.010 1
1 73 . 3 1 1 A 16 16 ILE CA C 16 59.343 59.125 0.218 1
1 74 . 3 1 1 A 16 16 ILE CB C 16 41.575 40.714 0.861 1
1 78 . 3 1 1 A 16 16 ILE N N 16 116.484 118.663 -2.179 1
1 79 . 3 1 1 A 17 17 HIS H H 17 8.659 9.119 -0.460 1
1 80 . 3 1 1 A 17 17 HIS HA H 17 5.130 5.137 -0.007 1
1 85 . 3 1 1 A 17 17 HIS C C 17 174.788 174.937 -0.149 1
1 86 . 3 1 1 A 17 17 HIS CA C 17 55.562 54.166 1.396 1
1 87 . 3 1 1 A 17 17 HIS CB C 17 30.047 30.549 -0.502 1
1 90 . 3 1 1 A 17 17 HIS N N 17 119.826 118.999 0.827 1
1 93 . 3 1 1 A 18 18 VAL H H 18 8.788 8.772 0.016 1
1 94 . 3 1 1 A 18 18 VAL HA H 18 4.681 4.704 -0.023 1
1 102 . 3 1 1 A 18 18 VAL C C 18 174.631 175.342 -0.711 1
1 103 . 3 1 1 A 18 18 VAL CA C 18 59.568 61.091 -1.523 1
1 104 . 3 1 1 A 18 18 VAL CB C 18 34.191 33.027 1.164 1
1 107 . 3 1 1 A 18 18 VAL N N 18 117.203 120.667 -3.464 1
1 108 . 3 1 1 A 19 19 THR H H 19 8.746 8.967 -0.221 1
1 109 . 3 1 1 A 19 19 THR HA H 19 4.603 4.882 -0.279 1
1 114 . 3 1 1 A 19 19 THR C C 19 172.422 173.837 -1.415 1
1 115 . 3 1 1 A 19 19 THR CA C 19 62.159 62.134 0.025 1
1 116 . 3 1 1 A 19 19 THR CB C 19 69.640 69.425 0.215 1
1 118 . 3 1 1 A 19 19 THR N N 19 121.216 120.560 0.656 1
1 119 . 3 1 1 A 20 20 VAL H H 20 9.268 9.208 0.060 1
1 120 . 3 1 1 A 20 20 VAL HA H 20 4.426 4.473 -0.047 1
1 128 . 3 1 1 A 20 20 VAL C C 20 174.013 174.802 -0.789 1
1 129 . 3 1 1 A 20 20 VAL CA C 20 61.312 61.751 -0.439 1
1 130 . 3 1 1 A 20 20 VAL CB C 20 31.567 31.789 -0.222 1
1 133 . 3 1 1 A 20 20 VAL N N 20 128.437 128.134 0.303 1
1 134 . 3 1 1 A 21 21 LYS H H 21 9.147 9.044 0.103 1
1 135 . 3 1 1 A 21 21 LYS HA H 21 4.759 4.713 0.046 1
1 144 . 3 1 1 A 21 21 LYS C C 21 175.935 175.181 0.754 1
1 145 . 3 1 1 A 21 21 LYS CA C 21 55.384 55.046 0.338 1
1 146 . 3 1 1 A 21 21 LYS CB C 21 34.197 32.888 1.309 1
1 150 . 3 1 1 A 21 21 LYS N N 21 126.951 128.006 -1.055 1
1 151 . 3 1 1 A 22 22 PHE H H 22 8.938 8.814 0.124 1
1 152 . 3 1 1 A 22 22 PHE HA H 22 4.846 4.702 0.144 1
1 158 . 3 1 1 A 22 22 PHE C C 22 174.843 175.659 -0.816 1
1 159 . 3 1 1 A 22 22 PHE CA C 22 56.918 56.307 0.611 1
1 160 . 3 1 1 A 22 22 PHE CB C 22 39.021 40.018 -0.997 1
1 163 . 3 1 1 A 22 22 PHE N N 22 127.843 124.287 3.556 1
1 164 . 3 1 1 A 23 23 PRO HA H 23 4.192 4.444 -0.252 1
1 171 . 3 1 1 A 23 23 PRO C C 23 177.813 177.148 0.665 1
1 172 . 3 1 1 A 23 23 PRO CA C 23 66.150 63.699 2.451 1
1 173 . 3 1 1 A 23 23 PRO CB C 23 31.588 31.320 0.268 1
1 176 . 3 1 1 A 24 24 SER H H 24 8.115 8.318 -0.203 1
1 177 . 3 1 1 A 24 24 SER HA H 24 4.772 4.682 0.090 1
1 180 . 3 1 1 A 24 24 SER C C 24 173.836 173.685 0.151 1
1 181 . 3 1 1 A 24 24 SER CA C 24 56.928 58.630 -1.702 1
1 182 . 3 1 1 A 24 24 SER CB C 24 64.789 64.556 0.233 1
1 183 . 3 1 1 A 24 24 SER N N 24 106.127 112.346 -6.219 1
1 184 . 3 1 1 A 25 25 LYS H H 25 7.321 8.117 -0.796 1
1 185 . 3 1 1 A 25 25 LYS HA H 25 4.739 4.980 -0.241 1
1 194 . 3 1 1 A 25 25 LYS C C 25 172.915 174.293 -1.378 1
1 195 . 3 1 1 A 25 25 LYS CA C 25 55.863 54.598 1.265 1
1 196 . 3 1 1 A 25 25 LYS CB C 25 34.621 36.471 -1.850 1
1 200 . 3 1 1 A 25 25 LYS N N 25 118.386 117.883 0.503 1
1 201 . 3 1 1 A 26 26 GLN H H 26 8.566 8.819 -0.253 1
1 202 . 3 1 1 A 26 26 GLN HA H 26 5.708 5.465 0.243 1
1 209 . 3 1 1 A 26 26 GLN C C 26 174.179 174.360 -0.181 1
1 210 . 3 1 1 A 26 26 GLN CA C 26 53.888 54.387 -0.499 1
1 211 . 3 1 1 A 26 26 GLN CB C 26 32.884 32.667 0.217 1
1 213 . 3 1 1 A 26 26 GLN N N 26 117.444 120.080 -2.636 1
1 215 . 3 1 1 A 27 27 PHE H H 27 8.564 8.570 -0.006 1
1 216 . 3 1 1 A 27 27 PHE HA H 27 5.085 5.205 -0.120 1
1 224 . 3 1 1 A 27 27 PHE C C 27 173.234 172.121 1.113 1
1 225 . 3 1 1 A 27 27 PHE CA C 27 55.993 56.158 -0.165 1
1 226 . 3 1 1 A 27 27 PHE CB C 27 40.088 41.245 -1.157 1
1 230 . 3 1 1 A 27 27 PHE N N 27 117.565 120.835 -3.270 1
1 231 . 3 1 1 A 28 28 THR H H 28 8.801 8.796 0.005 1
1 232 . 3 1 1 A 28 28 THR HA H 28 5.419 5.291 0.128 1
1 237 . 3 1 1 A 28 28 THR C C 28 174.650 173.602 1.048 1
1 238 . 3 1 1 A 28 28 THR CA C 28 61.203 61.881 -0.678 1
1 239 . 3 1 1 A 28 28 THR CB C 28 70.508 70.960 -0.452 1
1 241 . 3 1 1 A 28 28 THR N N 28 115.093 115.920 -0.827 1
1 242 . 3 1 1 A 29 29 VAL H H 29 8.983 8.970 0.013 1
1 243 . 3 1 1 A 29 29 VAL HA H 29 4.549 4.872 -0.323 1
1 251 . 3 1 1 A 29 29 VAL C C 29 173.686 174.555 -0.869 1
1 252 . 3 1 1 A 29 29 VAL CA C 29 60.118 60.252 -0.134 1
1 253 . 3 1 1 A 29 29 VAL CB C 29 35.498 35.835 -0.337 1
1 256 . 3 1 1 A 29 29 VAL N N 29 121.743 124.070 -2.327 1
1 257 . 3 1 1 A 30 30 GLU H H 30 8.460 8.680 -0.220 1
1 258 . 3 1 1 A 30 30 GLU HA H 30 4.894 5.122 -0.228 1
1 263 . 3 1 1 A 30 30 GLU C C 30 175.807 176.063 -0.256 1
1 264 . 3 1 1 A 30 30 GLU CA C 30 54.922 55.903 -0.981 1
1 265 . 3 1 1 A 30 30 GLU CB C 30 31.123 30.735 0.388 1
1 267 . 3 1 1 A 30 30 GLU N N 30 125.512 126.552 -1.040 1
1 268 . 3 1 1 A 31 31 VAL H H 31 8.917 8.628 0.289 1
1 269 . 3 1 1 A 31 31 VAL HA H 31 4.634 4.776 -0.142 1
1 277 . 3 1 1 A 31 31 VAL C C 31 174.136 173.827 0.309 1
1 278 . 3 1 1 A 31 31 VAL CA C 31 58.299 58.778 -0.479 1
1 279 . 3 1 1 A 31 31 VAL CB C 31 35.067 35.846 -0.779 1
1 282 . 3 1 1 A 31 31 VAL N N 31 118.900 117.886 1.014 1
1 283 . 3 1 1 A 32 32 ASP H H 32 9.032 8.656 0.376 1
1 284 . 3 1 1 A 32 32 ASP HA H 32 4.943 4.635 0.308 1
1 287 . 3 1 1 A 32 32 ASP C C 32 177.992 177.413 0.579 1
1 288 . 3 1 1 A 32 32 ASP CA C 32 53.428 54.227 -0.799 1
1 289 . 3 1 1 A 32 32 ASP CB C 32 42.939 42.877 0.062 1
1 290 . 3 1 1 A 32 32 ASP N N 32 121.708 124.366 -2.658 1
1 291 . 3 1 1 A 33 33 ARG H H 33 8.847 8.837 0.010 1
1 292 . 3 1 1 A 33 33 ARG HA H 33 3.952 4.060 -0.108 1
1 299 . 3 1 1 A 33 33 ARG C C 33 176.257 176.479 -0.222 1
1 300 . 3 1 1 A 33 33 ARG CA C 33 59.113 58.157 0.956 1
1 301 . 3 1 1 A 33 33 ARG CB C 33 30.011 29.741 0.270 1
1 304 . 3 1 1 A 33 33 ARG N N 33 121.873 123.825 -1.952 1
1 305 . 3 1 1 A 34 34 THR H H 34 8.058 8.339 -0.281 1
1 306 . 3 1 1 A 34 34 THR HA H 34 4.350 4.693 -0.343 1
1 311 . 3 1 1 A 34 34 THR C C 34 174.371 174.591 -0.220 1
1 312 . 3 1 1 A 34 34 THR CA C 34 60.432 61.852 -1.420 1
1 313 . 3 1 1 A 34 34 THR CB C 34 68.739 69.324 -0.585 1
1 315 . 3 1 1 A 34 34 THR N N 34 104.720 108.671 -3.951 1
1 316 . 3 1 1 A 35 35 GLU H H 35 7.473 7.485 -0.012 1
1 317 . 3 1 1 A 35 35 GLU HA H 35 4.239 4.223 0.016 1
1 322 . 3 1 1 A 35 35 GLU C C 35 176.021 176.062 -0.041 1
1 323 . 3 1 1 A 35 35 GLU CA C 35 56.921 56.806 0.115 1
1 324 . 3 1 1 A 35 35 GLU CB C 35 31.086 29.913 1.173 1
1 326 . 3 1 1 A 35 35 GLU N N 35 123.129 123.860 -0.731 1
1 327 . 3 1 1 A 36 36 THR H H 36 8.432 8.630 -0.198 1
1 328 . 3 1 1 A 36 36 THR HA H 36 4.987 4.967 0.020 1
1 333 . 3 1 1 A 36 36 THR C C 36 175.939 176.131 -0.192 1
1 334 . 3 1 1 A 36 36 THR CA C 36 60.249 61.006 -0.757 1
1 335 . 3 1 1 A 36 36 THR CB C 36 71.783 70.684 1.099 1
1 337 . 3 1 1 A 36 36 THR N N 36 112.476 115.948 -3.472 1
1 338 . 3 1 1 A 37 37 VAL H H 37 8.087 8.960 -0.873 1
1 339 . 3 1 1 A 37 37 VAL HA H 37 3.411 3.661 -0.250 1
1 347 . 3 1 1 A 37 37 VAL C C 37 178.249 177.554 0.695 1
1 348 . 3 1 1 A 37 37 VAL CA C 37 67.397 66.584 0.813 1
1 349 . 3 1 1 A 37 37 VAL CB C 37 31.567 31.412 0.155 1
1 352 . 3 1 1 A 37 37 VAL N N 37 121.215 123.101 -1.886 1
1 353 . 3 1 1 A 38 38 SER H H 38 8.863 8.065 0.798 1
1 354 . 3 1 1 A 38 38 SER HA H 38 4.760 4.267 0.493 1
1 357 . 3 1 1 A 38 38 SER C C 38 176.814 176.899 -0.085 1
1 358 . 3 1 1 A 38 38 SER CA C 38 57.746 61.520 -3.774 1
1 359 . 3 1 1 A 38 38 SER CB C 38 62.627 62.199 0.428 1
1 360 . 3 1 1 A 38 38 SER N N 38 112.752 115.171 -2.419 1
1 361 . 3 1 1 A 39 39 SER H H 39 7.999 7.894 0.105 1
1 362 . 3 1 1 A 39 39 SER HA H 39 4.318 4.395 -0.077 1
1 365 . 3 1 1 A 39 39 SER C C 39 177.692 176.934 0.758 1
1 366 . 3 1 1 A 39 39 SER CA C 39 61.338 61.214 0.124 1
1 367 . 3 1 1 A 39 39 SER CB C 39 62.349 63.211 -0.862 1
1 368 . 3 1 1 A 39 39 SER N N 39 117.918 116.832 1.086 1
1 369 . 3 1 1 A 40 40 LEU H H 40 8.227 7.924 0.303 1
1 370 . 3 1 1 A 40 40 LEU HA H 40 4.104 4.159 -0.055 1
1 380 . 3 1 1 A 40 40 LEU C C 40 178.420 178.827 -0.407 1
1 381 . 3 1 1 A 40 40 LEU CA C 40 58.235 57.733 0.502 1
1 382 . 3 1 1 A 40 40 LEU CB C 40 40.797 41.590 -0.793 1
1 386 . 3 1 1 A 40 40 LEU N N 40 123.592 123.181 0.411 1
1 387 . 3 1 1 A 41 41 LYS H H 41 8.470 8.167 0.303 1
1 388 . 3 1 1 A 41 41 LYS HA H 41 3.824 3.943 -0.119 1
1 397 . 3 1 1 A 41 41 LYS C C 41 178.476 178.732 -0.256 1
1 398 . 3 1 1 A 41 41 LYS CA C 41 61.313 60.350 0.963 1
1 399 . 3 1 1 A 41 41 LYS CB C 41 32.414 32.010 0.404 1
1 403 . 3 1 1 A 41 41 LYS N N 41 118.401 118.475 -0.074 1
1 404 . 3 1 1 A 42 42 ASP H H 42 7.956 8.518 -0.562 1
1 405 . 3 1 1 A 42 42 ASP HA H 42 4.447 4.384 0.063 1
1 408 . 3 1 1 A 42 42 ASP C C 42 178.806 178.831 -0.025 1
1 409 . 3 1 1 A 42 42 ASP CA C 42 57.802 57.617 0.185 1
1 410 . 3 1 1 A 42 42 ASP CB C 42 40.585 42.106 -1.521 1
1 411 . 3 1 1 A 42 42 ASP N N 42 119.295 120.181 -0.886 1
1 412 . 3 1 1 A 43 43 LYS H H 43 8.024 7.808 0.216 1
1 413 . 3 1 1 A 43 43 LYS HA H 43 4.039 4.138 -0.099 1
1 422 . 3 1 1 A 43 43 LYS C C 43 179.941 179.559 0.382 1
1 423 . 3 1 1 A 43 43 LYS CA C 43 60.014 59.946 0.068 1
1 424 . 3 1 1 A 43 43 LYS CB C 43 32.865 32.572 0.293 1
1 428 . 3 1 1 A 43 43 LYS N N 43 119.784 117.738 2.046 1
1 429 . 3 1 1 A 44 44 ILE H H 44 8.480 7.895 0.585 1
1 430 . 3 1 1 A 44 44 ILE HA H 44 3.702 3.936 -0.234 1
1 440 . 3 1 1 A 44 44 ILE C C 44 177.328 178.672 -1.344 1
1 441 . 3 1 1 A 44 44 ILE CA C 44 65.725 64.840 0.885 1
1 442 . 3 1 1 A 44 44 ILE CB C 44 38.110 37.224 0.886 1
1 446 . 3 1 1 A 44 44 ILE N N 44 119.363 120.225 -0.862 1
1 447 . 3 1 1 A 45 45 HIS H H 45 8.635 8.215 0.420 1
1 448 . 3 1 1 A 45 45 HIS HA H 45 4.471 4.306 0.165 1
1 453 . 3 1 1 A 45 45 HIS C C 45 176.407 177.230 -0.823 1
1 454 . 3 1 1 A 45 45 HIS CA C 45 58.451 59.622 -1.171 1
1 455 . 3 1 1 A 45 45 HIS CB C 45 28.055 29.822 -1.767 1
1 458 . 3 1 1 A 45 45 HIS N N 45 118.889 120.178 -1.289 1
1 461 . 3 1 1 A 46 46 ILE H H 46 7.868 7.879 -0.011 1
1 462 . 3 1 1 A 46 46 ILE HA H 46 3.571 3.569 0.002 1
1 472 . 3 1 1 A 46 46 ILE C C 46 177.371 178.749 -1.378 1
1 473 . 3 1 1 A 46 46 ILE CA C 46 63.925 64.273 -0.348 1
1 474 . 3 1 1 A 46 46 ILE CB C 46 37.704 36.936 0.768 1
1 478 . 3 1 1 A 46 46 ILE N N 46 118.414 119.213 -0.799 1
1 479 . 3 1 1 A 47 47 VAL H H 47 7.223 7.150 0.073 1
1 480 . 3 1 1 A 47 47 VAL HA H 47 3.684 3.743 -0.059 1
1 488 . 3 1 1 A 47 47 VAL C C 47 176.706 175.697 1.009 1
1 489 . 3 1 1 A 47 47 VAL CA C 47 64.807 64.869 -0.062 1
1 490 . 3 1 1 A 47 47 VAL CB C 47 32.209 32.419 -0.210 1
1 493 . 3 1 1 A 47 47 VAL N N 47 116.982 119.321 -2.339 1
1 494 . 3 1 1 A 48 48 GLU H H 48 8.090 8.318 -0.228 1
1 495 . 3 1 1 A 48 48 GLU HA H 48 4.271 4.587 -0.316 1
1 500 . 3 1 1 A 48 48 GLU C C 48 176.042 176.243 -0.201 1
1 501 . 3 1 1 A 48 48 GLU CA C 48 55.062 54.722 0.340 1
1 502 . 3 1 1 A 48 48 GLU CB C 48 31.544 32.382 -0.838 1
1 504 . 3 1 1 A 48 48 GLU N N 48 118.849 119.673 -0.824 1
1 505 . 3 1 1 A 49 49 ASN H H 49 8.113 8.875 -0.762 1
1 506 . 3 1 1 A 49 49 ASN HA H 49 4.137 4.549 -0.412 1
1 511 . 3 1 1 A 49 49 ASN C C 49 174.993 175.955 -0.962 1
1 512 . 3 1 1 A 49 49 ASN CA C 49 54.287 54.261 0.026 1
1 513 . 3 1 1 A 49 49 ASN CB C 49 37.647 38.702 -1.055 1
1 514 . 3 1 1 A 49 49 ASN N N 49 118.695 123.910 -5.215 1
1 516 . 3 1 1 A 50 50 THR H H 50 7.780 7.583 0.197 1
1 517 . 3 1 1 A 50 50 THR HA H 50 4.483 4.478 0.005 1
1 522 . 3 1 1 A 50 50 THR C C 50 173.107 172.889 0.218 1
1 523 . 3 1 1 A 50 50 THR CA C 50 61.094 60.846 0.248 1
1 524 . 3 1 1 A 50 50 THR CB C 50 70.926 69.451 1.475 1
1 526 . 3 1 1 A 50 50 THR N N 50 118.434 115.151 3.283 1
1 527 . 3 1 1 A 51 51 PRO HA H 51 4.485 4.610 -0.125 1
1 534 . 3 1 1 A 51 51 PRO C C 51 178.067 177.642 0.425 1
1 535 . 3 1 1 A 51 51 PRO CA C 51 63.075 63.054 0.021 1
1 536 . 3 1 1 A 51 51 PRO CB C 51 31.996 32.765 -0.769 1
1 539 . 3 1 1 A 52 52 ILE H H 52 8.530 8.226 0.304 1
1 540 . 3 1 1 A 52 52 ILE HA H 52 3.764 3.828 -0.064 1
1 550 . 3 1 1 A 52 52 ILE C C 52 179.363 177.954 1.409 1
1 551 . 3 1 1 A 52 52 ILE CA C 52 64.855 64.035 0.820 1
1 552 . 3 1 1 A 52 52 ILE CB C 52 38.109 37.640 0.469 1
1 556 . 3 1 1 A 52 52 ILE N N 52 125.501 122.774 2.727 1
1 557 . 3 1 1 A 53 53 LYS H H 53 8.603 7.973 0.630 1
1 558 . 3 1 1 A 53 53 LYS HA H 53 4.180 4.252 -0.072 1
1 567 . 3 1 1 A 53 53 LYS C C 53 177.113 177.365 -0.252 1
1 568 . 3 1 1 A 53 53 LYS CA C 53 57.816 58.636 -0.820 1
1 569 . 3 1 1 A 53 53 LYS CB C 53 31.992 31.963 0.029 1
1 573 . 3 1 1 A 53 53 LYS N N 53 117.464 119.739 -2.275 1
1 574 . 3 1 1 A 54 54 ARG H H 54 7.479 7.418 0.061 1
1 575 . 3 1 1 A 54 54 ARG HA H 54 4.361 4.450 -0.089 1
1 582 . 3 1 1 A 54 54 ARG C C 54 175.507 176.088 -0.581 1
1 583 . 3 1 1 A 54 54 ARG CA C 54 56.051 57.205 -1.154 1
1 584 . 3 1 1 A 54 54 ARG CB C 54 31.559 31.341 0.218 1
1 587 . 3 1 1 A 54 54 ARG N N 54 114.601 116.652 -2.051 1
1 588 . 3 1 1 A 55 55 MET H H 55 7.479 7.567 -0.088 1
1 589 . 3 1 1 A 55 55 MET HA H 55 4.435 4.596 -0.161 1
1 597 . 3 1 1 A 55 55 MET C C 55 175.276 175.329 -0.053 1
1 598 . 3 1 1 A 55 55 MET CA C 55 57.365 54.751 2.614 1
1 599 . 3 1 1 A 55 55 MET CB C 55 35.142 33.982 1.160 1
1 602 . 3 1 1 A 55 55 MET N N 55 116.986 117.252 -0.266 1
1 603 . 3 1 1 A 56 56 GLN H H 56 8.958 9.134 -0.176 1
1 604 . 3 1 1 A 56 56 GLN HA H 56 4.502 5.004 -0.502 1
1 611 . 3 1 1 A 56 56 GLN C C 56 173.429 174.667 -1.238 1
1 612 . 3 1 1 A 56 56 GLN CA C 56 54.982 54.245 0.737 1
1 613 . 3 1 1 A 56 56 GLN CB C 56 32.420 32.171 0.249 1
1 615 . 3 1 1 A 56 56 GLN N N 56 124.094 124.177 -0.083 1
1 617 . 3 1 1 A 57 57 LEU H H 57 8.603 8.577 0.026 1
1 618 . 3 1 1 A 57 57 LEU HA H 57 5.190 4.897 0.293 1
1 628 . 3 1 1 A 57 57 LEU C C 57 175.421 175.654 -0.233 1
1 629 . 3 1 1 A 57 57 LEU CA C 57 53.437 54.126 -0.689 1
1 630 . 3 1 1 A 57 57 LEU CB C 57 44.367 43.005 1.362 1
1 634 . 3 1 1 A 57 57 LEU N N 57 124.534 127.605 -3.071 1
1 635 . 3 1 1 A 58 58 TYR H H 58 9.319 9.459 -0.140 1
1 636 . 3 1 1 A 58 58 TYR HA H 58 5.145 5.233 -0.088 1
1 643 . 3 1 1 A 58 58 TYR C C 58 174.821 174.129 0.692 1
1 644 . 3 1 1 A 58 58 TYR CA C 58 56.503 56.539 -0.036 1
1 645 . 3 1 1 A 58 58 TYR CB C 58 43.323 41.047 2.276 1
1 648 . 3 1 1 A 58 58 TYR N N 58 119.746 121.917 -2.171 1
1 649 . 3 1 1 A 59 59 TYR H H 59 8.993 9.133 -0.140 1
1 650 . 3 1 1 A 59 59 TYR HA H 59 5.173 4.963 0.210 1
1 657 . 3 1 1 A 59 59 TYR C C 59 174.980 175.607 -0.627 1
1 658 . 3 1 1 A 59 59 TYR CA C 59 55.625 57.181 -1.556 1
1 659 . 3 1 1 A 59 59 TYR CB C 59 41.981 40.362 1.619 1
1 662 . 3 1 1 A 59 59 TYR N N 59 120.286 126.886 -6.600 1
1 663 . 3 1 1 A 60 60 SER H H 60 9.320 8.847 0.473 1
1 664 . 3 1 1 A 60 60 SER HA H 60 3.668 4.163 -0.495 1
1 667 . 3 1 1 A 60 60 SER C C 60 174.893 174.156 0.737 1
1 668 . 3 1 1 A 60 60 SER CA C 60 57.815 60.182 -2.367 1
1 669 . 3 1 1 A 60 60 SER CB C 60 62.602 62.604 -0.002 1
1 670 . 3 1 1 A 60 60 SER N N 60 125.263 123.968 1.295 1
1 671 . 3 1 1 A 61 61 GLY H H 61 8.649 8.402 0.247 1
1 672 . 3 1 1 A 61 61 GLY HA2 H 61 4.035 4.116 -0.081 1
1 673 . 3 1 1 A 61 61 GLY HA3 H 61 3.409 4.150 -0.741 1
1 674 . 3 1 1 A 61 61 GLY C C 61 173.346 173.457 -0.111 1
1 675 . 3 1 1 A 61 61 GLY CA C 61 44.726 45.526 -0.800 1
1 676 . 3 1 1 A 62 62 ILE H H 62 8.128 7.987 0.141 1
1 677 . 3 1 1 A 62 62 ILE HA H 62 4.304 4.247 0.057 1
1 687 . 3 1 1 A 62 62 ILE C C 62 174.950 175.108 -0.158 1
1 688 . 3 1 1 A 62 62 ILE CA C 62 59.396 60.457 -1.061 1
1 689 . 3 1 1 A 62 62 ILE CB C 62 39.110 39.041 0.069 1
1 693 . 3 1 1 A 62 62 ILE N N 62 123.077 120.679 2.398 1
1 694 . 3 1 1 A 63 63 GLU H H 63 8.697 8.845 -0.148 1
1 695 . 3 1 1 A 63 63 GLU HA H 63 3.534 4.041 -0.507 1
1 700 . 3 1 1 A 63 63 GLU C C 63 177.156 175.184 1.972 1
1 701 . 3 1 1 A 63 63 GLU CA C 63 55.231 56.043 -0.812 1
1 702 . 3 1 1 A 63 63 GLU CB C 63 29.804 29.799 0.005 1
1 704 . 3 1 1 A 63 63 GLU N N 63 127.682 128.275 -0.593 1
1 705 . 3 1 1 A 64 64 LEU H H 64 8.791 8.746 0.045 1
1 706 . 3 1 1 A 64 64 LEU HA H 64 3.954 4.152 -0.198 1
1 716 . 3 1 1 A 64 64 LEU C C 64 176.428 176.387 0.041 1
1 717 . 3 1 1 A 64 64 LEU CA C 64 52.211 54.110 -1.899 1
1 718 . 3 1 1 A 64 64 LEU CB C 64 37.239 39.709 -2.470 1
1 722 . 3 1 1 A 64 64 LEU N N 64 130.005 128.442 1.563 1
1 723 . 3 1 1 A 65 65 ALA H H 65 7.369 8.205 -0.836 1
1 724 . 3 1 1 A 65 65 ALA HA H 65 4.052 4.293 -0.241 1
1 728 . 3 1 1 A 65 65 ALA C C 65 176.322 177.813 -1.491 1
1 729 . 3 1 1 A 65 65 ALA CA C 65 53.207 54.266 -1.059 1
1 730 . 3 1 1 A 65 65 ALA CB C 65 20.170 19.429 0.741 1
1 731 . 3 1 1 A 65 65 ALA N N 65 124.744 127.147 -2.403 1
1 732 . 3 1 1 A 66 66 ASP H H 66 7.472 7.677 -0.205 1
1 733 . 3 1 1 A 66 66 ASP HA H 66 4.857 4.426 0.431 1
1 736 . 3 1 1 A 66 66 ASP C C 66 175.635 175.661 -0.026 1
1 737 . 3 1 1 A 66 66 ASP CA C 66 52.192 54.393 -2.201 1
1 738 . 3 1 1 A 66 66 ASP CB C 66 41.603 40.872 0.731 1
1 739 . 3 1 1 A 66 66 ASP N N 66 117.457 117.053 0.404 1
1 740 . 3 1 1 A 67 67 ASP H H 67 8.541 8.725 -0.184 1
1 741 . 3 1 1 A 67 67 ASP HA H 67 4.209 4.317 -0.108 1
1 744 . 3 1 1 A 67 67 ASP C C 67 176.292 178.039 -1.747 1
1 745 . 3 1 1 A 67 67 ASP CA C 67 56.925 57.085 -0.160 1
1 746 . 3 1 1 A 67 67 ASP CB C 67 40.835 40.763 0.072 1
1 747 . 3 1 1 A 67 67 ASP N N 67 124.544 125.262 -0.718 1
1 748 . 3 1 1 A 68 68 TYR H H 68 7.701 7.666 0.035 1
1 749 . 3 1 1 A 68 68 TYR HA H 68 4.589 4.488 0.101 1
1 756 . 3 1 1 A 68 68 TYR C C 68 175.742 176.099 -0.357 1
1 757 . 3 1 1 A 68 68 TYR CA C 68 56.622 58.231 -1.609 1
1 758 . 3 1 1 A 68 68 TYR CB C 68 37.607 38.273 -0.666 1
1 761 . 3 1 1 A 68 68 TYR N N 68 112.752 116.554 -3.802 1
1 762 . 3 1 1 A 69 69 ARG H H 69 7.182 7.477 -0.295 1
1 763 . 3 1 1 A 69 69 ARG HA H 69 4.245 4.390 -0.145 1
1 771 . 3 1 1 A 69 69 ARG C C 69 175.443 175.597 -0.154 1
1 772 . 3 1 1 A 69 69 ARG CA C 69 56.056 55.282 0.774 1
1 773 . 3 1 1 A 69 69 ARG CB C 69 31.536 31.146 0.390 1
1 776 . 3 1 1 A 69 69 ARG N N 69 122.155 122.276 -0.121 1
1 778 . 3 1 1 A 70 70 ASN H H 70 8.749 9.414 -0.665 1
1 779 . 3 1 1 A 70 70 ASN HA H 70 5.068 5.139 -0.071 1
1 784 . 3 1 1 A 70 70 ASN C C 70 177.349 176.521 0.828 1
1 785 . 3 1 1 A 70 70 ASN CA C 70 52.528 52.081 0.447 1
1 786 . 3 1 1 A 70 70 ASN CB C 70 39.856 40.302 -0.446 1
1 787 . 3 1 1 A 70 70 ASN N N 70 120.300 119.133 1.167 1
1 789 . 3 1 1 A 71 71 LEU H H 71 8.603 9.134 -0.531 1
1 790 . 3 1 1 A 71 71 LEU HA H 71 3.943 4.124 -0.181 1
1 800 . 3 1 1 A 71 71 LEU C C 71 179.470 178.867 0.603 1
1 801 . 3 1 1 A 71 71 LEU CA C 71 58.074 57.921 0.153 1
1 802 . 3 1 1 A 71 71 LEU CB C 71 39.446 41.407 -1.961 1
1 806 . 3 1 1 A 71 71 LEU N N 71 118.872 124.021 -5.149 1
1 807 . 3 1 1 A 72 72 ASN H H 72 8.561 8.371 0.190 1
1 808 . 3 1 1 A 72 72 ASN HA H 72 4.394 4.375 0.019 1
1 813 . 3 1 1 A 72 72 ASN C C 72 178.592 177.044 1.548 1
1 814 . 3 1 1 A 72 72 ASN CA C 72 56.065 55.641 0.424 1
1 815 . 3 1 1 A 72 72 ASN CB C 72 37.663 37.353 0.310 1
1 816 . 3 1 1 A 72 72 ASN N N 72 115.744 116.315 -0.571 1
1 818 . 3 1 1 A 73 73 GLU H H 73 7.979 7.597 0.382 1
1 819 . 3 1 1 A 73 73 GLU HA H 73 4.041 3.981 0.060 1
1 824 . 3 1 1 A 73 73 GLU C C 73 177.778 177.661 0.117 1
1 825 . 3 1 1 A 73 73 GLU CA C 73 58.680 58.659 0.021 1
1 826 . 3 1 1 A 73 73 GLU CB C 73 29.114 29.250 -0.136 1
1 828 . 3 1 1 A 73 73 GLU N N 73 121.014 119.596 1.418 1
1 829 . 3 1 1 A 74 74 TYR H H 74 7.500 7.339 0.161 1
1 830 . 3 1 1 A 74 74 TYR HA H 74 4.567 4.540 0.027 1
1 837 . 3 1 1 A 74 74 TYR C C 74 175.592 175.784 -0.192 1
1 838 . 3 1 1 A 74 74 TYR CA C 74 58.790 57.883 0.907 1
1 839 . 3 1 1 A 74 74 TYR CB C 74 39.440 38.424 1.016 1
1 842 . 3 1 1 A 74 74 TYR N N 74 115.573 116.430 -0.857 1
1 843 . 3 1 1 A 75 75 GLY H H 75 7.702 7.675 0.027 1
1 844 . 3 1 1 A 75 75 GLY HA2 H 75 4.274 3.972 0.302 1
1 845 . 3 1 1 A 75 75 GLY HA3 H 75 3.749 4.020 -0.271 1
1 846 . 3 1 1 A 75 75 GLY C C 75 174.007 174.388 -0.381 1
1 847 . 3 1 1 A 75 75 GLY CA C 75 45.133 45.828 -0.695 1
1 848 . 3 1 1 A 75 75 GLY N N 75 105.620 107.345 -1.725 1
1 849 . 3 1 1 A 76 76 ILE H H 76 6.628 7.707 -1.079 1
1 850 . 3 1 1 A 76 76 ILE HA H 76 3.170 4.070 -0.900 1
1 860 . 3 1 1 A 76 76 ILE C C 76 174.607 175.552 -0.945 1
1 861 . 3 1 1 A 76 76 ILE CA C 76 62.037 60.995 1.042 1
1 862 . 3 1 1 A 76 76 ILE CB C 76 36.805 36.743 0.062 1
1 866 . 3 1 1 A 76 76 ILE N N 76 120.041 122.130 -2.089 1
1 867 . 3 1 1 A 77 77 THR H H 77 8.437 9.016 -0.579 1
1 868 . 3 1 1 A 77 77 THR HA H 77 4.420 4.481 -0.061 1
1 873 . 3 1 1 A 77 77 THR C C 77 172.893 173.765 -0.872 1
1 874 . 3 1 1 A 77 77 THR CA C 77 58.687 63.693 -5.006 1
1 875 . 3 1 1 A 77 77 THR CB C 77 70.917 71.069 -0.152 1
1 877 . 3 1 1 A 77 77 THR N N 77 121.014 123.342 -2.328 1
1 878 . 3 1 1 A 78 78 GLU H H 78 8.235 7.915 0.320 1
1 879 . 3 1 1 A 78 78 GLU HA H 78 4.088 4.603 -0.515 1
1 884 . 3 1 1 A 78 78 GLU C C 78 177.242 175.199 2.043 1
1 885 . 3 1 1 A 78 78 GLU CA C 78 58.254 56.391 1.863 1
1 886 . 3 1 1 A 78 78 GLU CB C 78 29.336 32.941 -3.605 1
1 888 . 3 1 1 A 78 78 GLU N N 78 121.643 119.624 2.019 1
1 889 . 3 1 1 A 79 79 PHE H H 79 9.152 8.447 0.705 1
1 890 . 3 1 1 A 79 79 PHE HA H 79 4.363 4.273 0.090 1
1 895 . 3 1 1 A 79 79 PHE C C 79 176.385 174.543 1.842 1
1 896 . 3 1 1 A 79 79 PHE CA C 79 59.552 59.074 0.478 1
1 897 . 3 1 1 A 79 79 PHE CB C 79 36.282 35.917 0.365 1
1 899 . 3 1 1 A 79 79 PHE N N 79 118.909 122.699 -3.790 1
1 900 . 3 1 1 A 80 80 SER H H 80 8.341 7.949 0.392 1
1 901 . 3 1 1 A 80 80 SER HA H 80 4.576 4.737 -0.161 1
1 904 . 3 1 1 A 80 80 SER C C 80 171.629 174.377 -2.748 1
1 905 . 3 1 1 A 80 80 SER CA C 80 61.398 58.252 3.146 1
1 906 . 3 1 1 A 80 80 SER CB C 80 64.796 64.003 0.793 1
1 907 . 3 1 1 A 80 80 SER N N 80 118.396 113.914 4.482 1
1 908 . 3 1 1 A 81 81 GLU H H 81 8.692 8.660 0.032 1
1 909 . 3 1 1 A 81 81 GLU HA H 81 5.115 4.876 0.239 1
1 914 . 3 1 1 A 81 81 GLU C C 81 174.993 175.880 -0.887 1
1 915 . 3 1 1 A 81 81 GLU CA C 81 54.749 56.117 -1.368 1
1 916 . 3 1 1 A 81 81 GLU CB C 81 31.666 30.704 0.962 1
1 918 . 3 1 1 A 81 81 GLU N N 81 122.155 124.554 -2.399 1
1 919 . 3 1 1 A 82 82 ILE H H 82 9.335 9.685 -0.350 1
1 920 . 3 1 1 A 82 82 ILE HA H 82 4.796 4.709 0.087 1
1 930 . 3 1 1 A 82 82 ILE C C 82 174.350 174.840 -0.490 1
1 931 . 3 1 1 A 82 82 ILE CA C 82 58.543 60.018 -1.475 1
1 932 . 3 1 1 A 82 82 ILE CB C 82 39.050 39.749 -0.699 1
1 936 . 3 1 1 A 82 82 ILE N N 82 127.389 124.988 2.401 1
1 937 . 3 1 1 A 83 83 VAL H H 83 9.136 9.487 -0.351 1
1 938 . 3 1 1 A 83 83 VAL HA H 83 4.359 4.392 -0.033 1
1 946 . 3 1 1 A 83 83 VAL C C 83 174.971 175.110 -0.139 1
1 947 . 3 1 1 A 83 83 VAL CA C 83 61.756 62.111 -0.355 1
1 948 . 3 1 1 A 83 83 VAL CB C 83 33.537 32.015 1.522 1
1 951 . 3 1 1 A 83 83 VAL N N 83 128.322 128.599 -0.277 1
1 952 . 3 1 1 A 84 84 VAL H H 84 8.019 9.274 -1.255 1
1 953 . 3 1 1 A 84 84 VAL HA H 84 4.524 4.569 -0.045 1
1 961 . 3 1 1 A 84 84 VAL C C 84 175.090 175.071 0.019 1
1 962 . 3 1 1 A 84 84 VAL CA C 84 61.268 61.220 0.048 1
1 963 . 3 1 1 A 84 84 VAL CB C 84 32.543 31.294 1.249 1
1 966 . 3 1 1 A 84 84 VAL N N 84 125.746 128.563 -2.817 1
1 967 . 3 1 1 A 85 85 PHE H H 85 9.165 9.237 -0.072 1
1 968 . 3 1 1 A 85 85 PHE HA H 85 4.795 4.920 -0.125 1
1 976 . 3 1 1 A 85 85 PHE C C 85 174.414 175.137 -0.723 1
1 977 . 3 1 1 A 85 85 PHE CA C 85 55.636 57.342 -1.706 1
1 978 . 3 1 1 A 85 85 PHE CB C 85 41.618 39.900 1.718 1
1 982 . 3 1 1 A 85 85 PHE N N 85 126.921 127.141 -0.220 1
1 983 . 3 1 1 A 86 86 LEU H H 86 8.314 8.827 -0.513 1
1 984 . 3 1 1 A 86 86 LEU HA H 86 5.103 4.393 0.710 1
1 994 . 3 1 1 A 86 86 LEU C C 86 177.221 176.449 0.772 1
1 995 . 3 1 1 A 86 86 LEU CA C 86 52.667 54.676 -2.009 1
1 996 . 3 1 1 A 86 86 LEU CB C 86 42.493 41.003 1.490 1
1 1000 . 3 1 1 A 86 86 LEU N N 86 122.166 126.597 -4.431 1
1 1001 . 3 1 1 A 87 87 LYS H H 87 9.006 8.773 0.233 1
1 1002 . 3 1 1 A 87 87 LYS HA H 87 4.276 4.315 -0.039 1
1 1011 . 3 1 1 A 87 87 LYS C C 87 176.685 176.748 -0.063 1
1 1012 . 3 1 1 A 87 87 LYS CA C 87 56.069 58.280 -2.211 1
1 1013 . 3 1 1 A 87 87 LYS CB C 87 33.751 33.019 0.732 1
1 1017 . 3 1 1 A 87 87 LYS N N 87 124.552 126.507 -1.955 1
1 1018 . 3 1 1 A 88 88 SER H H 88 8.640 7.251 1.389 1
1 1019 . 3 1 1 A 88 88 SER HA H 88 4.461 4.864 -0.403 1
1 1022 . 3 1 1 A 88 88 SER C C 88 174.671 173.113 1.558 1
1 1023 . 3 1 1 A 88 88 SER CA C 88 58.244 57.095 1.149 1
1 1024 . 3 1 1 A 88 88 SER CB C 88 63.518 65.825 -2.307 1
1 1025 . 3 1 1 A 88 88 SER N N 88 118.741 111.887 6.854 1
1 1026 . 3 1 1 A 89 89 ILE H H 89 8.401 8.656 -0.255 1
1 1027 . 3 1 1 A 89 89 ILE HA H 89 4.173 4.308 -0.135 1
1 1037 . 3 1 1 A 89 89 ILE C C 89 175.828 176.088 -0.260 1
1 1038 . 3 1 1 A 89 89 ILE CA C 89 61.240 60.394 0.846 1
1 1039 . 3 1 1 A 89 89 ILE CB C 89 38.930 39.751 -0.821 1
1 1043 . 3 1 1 A 89 89 ILE N N 89 122.196 123.654 -1.458 1
1 1044 . 3 1 1 A 90 90 ASN H H 90 8.479 8.618 -0.139 1
1 1045 . 3 1 1 A 90 90 ASN HA H 90 4.709 5.333 -0.624 1
1 1050 . 3 1 1 A 90 90 ASN C C 90 174.971 174.345 0.626 1
1 1051 . 3 1 1 A 90 90 ASN CA C 90 52.863 52.250 0.613 1
1 1052 . 3 1 1 A 90 90 ASN CB C 90 38.726 39.833 -1.107 1
1 1053 . 3 1 1 A 90 90 ASN N N 90 122.645 119.823 2.822 1
1 1055 . 3 1 1 A 91 91 ARG H H 91 8.340 8.698 -0.358 1
1 1056 . 3 1 1 A 91 91 ARG HA H 91 4.321 5.001 -0.680 1
1 1063 . 3 1 1 A 91 91 ARG C C 91 175.850 175.010 0.840 1
1 1064 . 3 1 1 A 91 91 ARG CA C 91 55.708 55.005 0.703 1
1 1065 . 3 1 1 A 91 91 ARG CB C 91 30.704 31.257 -0.553 1
1 1068 . 3 1 1 A 91 91 ARG N N 91 122.190 123.286 -1.096 1
1 1069 . 3 1 1 A 92 92 ALA H H 92 8.310 8.691 -0.381 1
1 1070 . 3 1 1 A 92 92 ALA HA H 92 4.292 4.486 -0.194 1
1 1074 . 3 1 1 A 92 92 ALA C C 92 177.456 176.598 0.858 1
1 1075 . 3 1 1 A 92 92 ALA CA C 92 52.524 51.357 1.167 1
1 1076 . 3 1 1 A 92 92 ALA CB C 92 19.254 19.553 -0.299 1
1 1077 . 3 1 1 A 92 92 ALA N N 92 125.492 128.135 -2.643 1
1 1078 . 3 1 1 A 93 93 LYS H H 93 8.189 8.596 -0.407 1
1 1079 . 3 1 1 A 93 93 LYS HA H 93 4.318 3.765 0.553 1
1 1088 . 3 1 1 A 93 93 LYS C C 93 175.357 175.499 -0.142 1
1 1089 . 3 1 1 A 93 93 LYS CA C 93 56.059 57.008 -0.949 1
1 1090 . 3 1 1 A 93 93 LYS CB C 93 33.101 29.192 3.909 1
1 1094 . 3 1 1 A 93 93 LYS N N 93 120.307 122.393 -2.086 1
1 1 . 4 1 1 A 11 11 ALA HA H 11 4.252 3.959 0.293 1
1 5 . 4 1 1 A 11 11 ALA CA C 11 52.471 52.474 -0.003 1
1 6 . 4 1 1 A 11 11 ALA CB C 11 19.020 18.769 0.251 1
1 7 . 4 1 1 A 12 12 ALA H H 12 8.179 8.567 -0.388 1
1 8 . 4 1 1 A 12 12 ALA HA H 12 4.291 4.610 -0.319 1
1 12 . 4 1 1 A 12 12 ALA C C 12 177.662 177.212 0.450 1
1 13 . 4 1 1 A 12 12 ALA CA C 12 52.444 51.162 1.282 1
1 14 . 4 1 1 A 12 12 ALA CB C 12 18.943 21.237 -2.294 1
1 15 . 4 1 1 A 12 12 ALA N N 12 123.114 127.194 -4.080 1
1 16 . 4 1 1 A 13 13 VAL H H 13 8.006 8.294 -0.288 1
1 17 . 4 1 1 A 13 13 VAL HA H 13 4.100 4.148 -0.048 1
1 25 . 4 1 1 A 13 13 VAL C C 13 175.990 175.947 0.043 1
1 26 . 4 1 1 A 13 13 VAL CA C 13 62.182 62.483 -0.301 1
1 27 . 4 1 1 A 13 13 VAL CB C 13 32.442 32.964 -0.522 1
1 29 . 4 1 1 A 13 13 VAL N N 13 119.213 120.757 -1.544 1
1 30 . 4 1 1 A 14 14 ARG H H 14 8.329 8.258 0.071 1
1 31 . 4 1 1 A 14 14 ARG HA H 14 4.344 4.665 -0.321 1
1 38 . 4 1 1 A 14 14 ARG C C 14 175.844 175.099 0.745 1
1 39 . 4 1 1 A 14 14 ARG CA C 14 56.071 55.685 0.386 1
1 40 . 4 1 1 A 14 14 ARG CB C 14 31.099 31.078 0.021 1
1 43 . 4 1 1 A 14 14 ARG N N 14 125.039 127.484 -2.445 1
1 44 . 4 1 1 A 15 15 LYS H H 15 8.147 8.708 -0.561 1
1 45 . 4 1 1 A 15 15 LYS HA H 15 4.552 4.503 0.049 1
1 54 . 4 1 1 A 15 15 LYS C C 15 176.186 176.920 -0.734 1
1 55 . 4 1 1 A 15 15 LYS CA C 15 55.632 56.071 -0.439 1
1 56 . 4 1 1 A 15 15 LYS CB C 15 33.543 33.517 0.026 1
1 60 . 4 1 1 A 15 15 LYS N N 15 121.711 124.703 -2.992 1
1 61 . 4 1 1 A 16 16 ILE H H 16 8.764 8.482 0.282 1
1 62 . 4 1 1 A 16 16 ILE HA H 16 4.508 4.486 0.022 1
1 72 . 4 1 1 A 16 16 ILE C C 16 174.333 175.324 -0.991 1
1 73 . 4 1 1 A 16 16 ILE CA C 16 59.343 59.919 -0.576 1
1 74 . 4 1 1 A 16 16 ILE CB C 16 41.575 38.990 2.585 1
1 78 . 4 1 1 A 16 16 ILE N N 16 116.484 120.154 -3.670 1
1 79 . 4 1 1 A 17 17 HIS H H 17 8.659 8.611 0.048 1
1 80 . 4 1 1 A 17 17 HIS HA H 17 5.130 4.940 0.190 1
1 85 . 4 1 1 A 17 17 HIS C C 17 174.788 175.279 -0.491 1
1 86 . 4 1 1 A 17 17 HIS CA C 17 55.562 54.937 0.625 1
1 87 . 4 1 1 A 17 17 HIS CB C 17 30.047 29.203 0.844 1
1 90 . 4 1 1 A 17 17 HIS N N 17 119.826 122.807 -2.981 1
1 93 . 4 1 1 A 18 18 VAL H H 18 8.788 8.560 0.228 1
1 94 . 4 1 1 A 18 18 VAL HA H 18 4.681 4.691 -0.010 1
1 102 . 4 1 1 A 18 18 VAL C C 18 174.631 174.882 -0.251 1
1 103 . 4 1 1 A 18 18 VAL CA C 18 59.568 61.077 -1.509 1
1 104 . 4 1 1 A 18 18 VAL CB C 18 34.191 33.199 0.992 1
1 107 . 4 1 1 A 18 18 VAL N N 18 117.203 120.510 -3.307 1
1 108 . 4 1 1 A 19 19 THR H H 19 8.746 9.258 -0.512 1
1 109 . 4 1 1 A 19 19 THR HA H 19 4.603 4.881 -0.278 1
1 114 . 4 1 1 A 19 19 THR C C 19 172.422 173.821 -1.399 1
1 115 . 4 1 1 A 19 19 THR CA C 19 62.159 62.063 0.096 1
1 116 . 4 1 1 A 19 19 THR CB C 19 69.640 69.454 0.186 1
1 118 . 4 1 1 A 19 19 THR N N 19 121.216 120.966 0.250 1
1 119 . 4 1 1 A 20 20 VAL H H 20 9.268 9.240 0.028 1
1 120 . 4 1 1 A 20 20 VAL HA H 20 4.426 4.382 0.044 1
1 128 . 4 1 1 A 20 20 VAL C C 20 174.013 174.776 -0.763 1
1 129 . 4 1 1 A 20 20 VAL CA C 20 61.312 61.722 -0.410 1
1 130 . 4 1 1 A 20 20 VAL CB C 20 31.567 31.828 -0.261 1
1 133 . 4 1 1 A 20 20 VAL N N 20 128.437 128.081 0.356 1
1 134 . 4 1 1 A 21 21 LYS H H 21 9.147 9.052 0.095 1
1 135 . 4 1 1 A 21 21 LYS HA H 21 4.759 4.790 -0.031 1
1 144 . 4 1 1 A 21 21 LYS C C 21 175.935 175.080 0.855 1
1 145 . 4 1 1 A 21 21 LYS CA C 21 55.384 55.296 0.088 1
1 146 . 4 1 1 A 21 21 LYS CB C 21 34.197 33.070 1.127 1
1 150 . 4 1 1 A 21 21 LYS N N 21 126.951 127.836 -0.885 1
1 151 . 4 1 1 A 22 22 PHE H H 22 8.938 8.710 0.228 1
1 152 . 4 1 1 A 22 22 PHE HA H 22 4.846 4.826 0.020 1
1 158 . 4 1 1 A 22 22 PHE C C 22 174.843 175.614 -0.771 1
1 159 . 4 1 1 A 22 22 PHE CA C 22 56.918 55.818 1.100 1
1 160 . 4 1 1 A 22 22 PHE CB C 22 39.021 41.393 -2.372 1
1 163 . 4 1 1 A 22 22 PHE N N 22 127.843 123.700 4.143 1
1 164 . 4 1 1 A 23 23 PRO HA H 23 4.192 4.471 -0.279 1
1 171 . 4 1 1 A 23 23 PRO C C 23 177.813 177.598 0.215 1
1 172 . 4 1 1 A 23 23 PRO CA C 23 66.150 64.503 1.647 1
1 173 . 4 1 1 A 23 23 PRO CB C 23 31.588 31.792 -0.204 1
1 176 . 4 1 1 A 24 24 SER H H 24 8.115 8.845 -0.730 1
1 177 . 4 1 1 A 24 24 SER HA H 24 4.772 4.569 0.203 1
1 180 . 4 1 1 A 24 24 SER C C 24 173.836 174.536 -0.700 1
1 181 . 4 1 1 A 24 24 SER CA C 24 56.928 60.609 -3.681 1
1 182 . 4 1 1 A 24 24 SER CB C 24 64.789 64.716 0.073 1
1 183 . 4 1 1 A 24 24 SER N N 24 106.127 112.974 -6.847 1
1 184 . 4 1 1 A 25 25 LYS H H 25 7.321 7.838 -0.517 1
1 185 . 4 1 1 A 25 25 LYS HA H 25 4.739 4.748 -0.009 1
1 194 . 4 1 1 A 25 25 LYS C C 25 172.915 173.969 -1.054 1
1 195 . 4 1 1 A 25 25 LYS CA C 25 55.863 55.099 0.764 1
1 196 . 4 1 1 A 25 25 LYS CB C 25 34.621 34.647 -0.026 1
1 200 . 4 1 1 A 25 25 LYS N N 25 118.386 114.398 3.988 1
1 201 . 4 1 1 A 26 26 GLN H H 26 8.566 8.597 -0.031 1
1 202 . 4 1 1 A 26 26 GLN HA H 26 5.708 5.472 0.236 1
1 209 . 4 1 1 A 26 26 GLN C C 26 174.179 174.429 -0.250 1
1 210 . 4 1 1 A 26 26 GLN CA C 26 53.888 54.345 -0.457 1
1 211 . 4 1 1 A 26 26 GLN CB C 26 32.884 32.764 0.120 1
1 213 . 4 1 1 A 26 26 GLN N N 26 117.444 119.604 -2.160 1
1 215 . 4 1 1 A 27 27 PHE H H 27 8.564 8.343 0.221 1
1 216 . 4 1 1 A 27 27 PHE HA H 27 5.085 5.283 -0.198 1
1 224 . 4 1 1 A 27 27 PHE C C 27 173.234 172.280 0.954 1
1 225 . 4 1 1 A 27 27 PHE CA C 27 55.993 56.097 -0.104 1
1 226 . 4 1 1 A 27 27 PHE CB C 27 40.088 41.304 -1.216 1
1 230 . 4 1 1 A 27 27 PHE N N 27 117.565 121.055 -3.490 1
1 231 . 4 1 1 A 28 28 THR H H 28 8.801 8.684 0.117 1
1 232 . 4 1 1 A 28 28 THR HA H 28 5.419 5.424 -0.005 1
1 237 . 4 1 1 A 28 28 THR C C 28 174.650 173.656 0.994 1
1 238 . 4 1 1 A 28 28 THR CA C 28 61.203 61.841 -0.638 1
1 239 . 4 1 1 A 28 28 THR CB C 28 70.508 70.972 -0.464 1
1 241 . 4 1 1 A 28 28 THR N N 28 115.093 115.941 -0.848 1
1 242 . 4 1 1 A 29 29 VAL H H 29 8.983 9.101 -0.118 1
1 243 . 4 1 1 A 29 29 VAL HA H 29 4.549 4.890 -0.341 1
1 251 . 4 1 1 A 29 29 VAL C C 29 173.686 174.686 -1.000 1
1 252 . 4 1 1 A 29 29 VAL CA C 29 60.118 60.411 -0.293 1
1 253 . 4 1 1 A 29 29 VAL CB C 29 35.498 35.777 -0.279 1
1 256 . 4 1 1 A 29 29 VAL N N 29 121.743 124.526 -2.783 1
1 257 . 4 1 1 A 30 30 GLU H H 30 8.460 8.795 -0.335 1
1 258 . 4 1 1 A 30 30 GLU HA H 30 4.894 4.675 0.219 1
1 263 . 4 1 1 A 30 30 GLU C C 30 175.807 176.278 -0.471 1
1 264 . 4 1 1 A 30 30 GLU CA C 30 54.922 56.168 -1.246 1
1 265 . 4 1 1 A 30 30 GLU CB C 30 31.123 30.317 0.806 1
1 267 . 4 1 1 A 30 30 GLU N N 30 125.512 126.928 -1.416 1
1 268 . 4 1 1 A 31 31 VAL H H 31 8.917 8.499 0.418 1
1 269 . 4 1 1 A 31 31 VAL HA H 31 4.634 4.877 -0.243 1
1 277 . 4 1 1 A 31 31 VAL C C 31 174.136 174.172 -0.036 1
1 278 . 4 1 1 A 31 31 VAL CA C 31 58.299 58.809 -0.510 1
1 279 . 4 1 1 A 31 31 VAL CB C 31 35.067 35.187 -0.120 1
1 282 . 4 1 1 A 31 31 VAL N N 31 118.900 117.952 0.948 1
1 283 . 4 1 1 A 32 32 ASP H H 32 9.032 8.528 0.504 1
1 284 . 4 1 1 A 32 32 ASP HA H 32 4.943 4.556 0.387 1
1 287 . 4 1 1 A 32 32 ASP C C 32 177.992 177.299 0.693 1
1 288 . 4 1 1 A 32 32 ASP CA C 32 53.428 54.247 -0.819 1
1 289 . 4 1 1 A 32 32 ASP CB C 32 42.939 42.525 0.414 1
1 290 . 4 1 1 A 32 32 ASP N N 32 121.708 124.548 -2.840 1
1 291 . 4 1 1 A 33 33 ARG H H 33 8.847 8.919 -0.072 1
1 292 . 4 1 1 A 33 33 ARG HA H 33 3.952 3.980 -0.028 1
1 299 . 4 1 1 A 33 33 ARG C C 33 176.257 177.092 -0.835 1
1 300 . 4 1 1 A 33 33 ARG CA C 33 59.113 59.148 -0.035 1
1 301 . 4 1 1 A 33 33 ARG CB C 33 30.011 29.508 0.503 1
1 304 . 4 1 1 A 33 33 ARG N N 33 121.873 124.570 -2.697 1
1 305 . 4 1 1 A 34 34 THR H H 34 8.058 8.158 -0.100 1
1 306 . 4 1 1 A 34 34 THR HA H 34 4.350 4.681 -0.331 1
1 311 . 4 1 1 A 34 34 THR C C 34 174.371 174.432 -0.061 1
1 312 . 4 1 1 A 34 34 THR CA C 34 60.432 61.865 -1.433 1
1 313 . 4 1 1 A 34 34 THR CB C 34 68.739 69.319 -0.580 1
1 315 . 4 1 1 A 34 34 THR N N 34 104.720 106.977 -2.257 1
1 316 . 4 1 1 A 35 35 GLU H H 35 7.473 7.714 -0.241 1
1 317 . 4 1 1 A 35 35 GLU HA H 35 4.239 4.180 0.059 1
1 322 . 4 1 1 A 35 35 GLU C C 35 176.021 176.744 -0.723 1
1 323 . 4 1 1 A 35 35 GLU CA C 35 56.921 57.191 -0.270 1
1 324 . 4 1 1 A 35 35 GLU CB C 35 31.086 30.004 1.082 1
1 326 . 4 1 1 A 35 35 GLU N N 35 123.129 124.006 -0.877 1
1 327 . 4 1 1 A 36 36 THR H H 36 8.432 8.370 0.062 1
1 328 . 4 1 1 A 36 36 THR HA H 36 4.987 4.487 0.500 1
1 333 . 4 1 1 A 36 36 THR C C 36 175.939 176.064 -0.125 1
1 334 . 4 1 1 A 36 36 THR CA C 36 60.249 61.413 -1.164 1
1 335 . 4 1 1 A 36 36 THR CB C 36 71.783 70.254 1.529 1
1 337 . 4 1 1 A 36 36 THR N N 36 112.476 121.215 -8.739 1
1 338 . 4 1 1 A 37 37 VAL H H 37 8.087 9.183 -1.096 1
1 339 . 4 1 1 A 37 37 VAL HA H 37 3.411 3.647 -0.236 1
1 347 . 4 1 1 A 37 37 VAL C C 37 178.249 177.608 0.641 1
1 348 . 4 1 1 A 37 37 VAL CA C 37 67.397 66.641 0.756 1
1 349 . 4 1 1 A 37 37 VAL CB C 37 31.567 31.331 0.236 1
1 352 . 4 1 1 A 37 37 VAL N N 37 121.215 123.897 -2.682 1
1 353 . 4 1 1 A 38 38 SER H H 38 8.863 7.903 0.960 1
1 354 . 4 1 1 A 38 38 SER HA H 38 4.760 4.365 0.395 1
1 357 . 4 1 1 A 38 38 SER C C 38 176.814 177.071 -0.257 1
1 358 . 4 1 1 A 38 38 SER CA C 38 57.746 61.533 -3.787 1
1 359 . 4 1 1 A 38 38 SER CB C 38 62.627 62.375 0.252 1
1 360 . 4 1 1 A 38 38 SER N N 38 112.752 114.870 -2.118 1
1 361 . 4 1 1 A 39 39 SER H H 39 7.999 8.062 -0.063 1
1 362 . 4 1 1 A 39 39 SER HA H 39 4.318 4.272 0.046 1
1 365 . 4 1 1 A 39 39 SER C C 39 177.692 176.719 0.973 1
1 366 . 4 1 1 A 39 39 SER CA C 39 61.338 62.131 -0.793 1
1 367 . 4 1 1 A 39 39 SER CB C 39 62.349 62.973 -0.624 1
1 368 . 4 1 1 A 39 39 SER N N 39 117.918 117.204 0.714 1
1 369 . 4 1 1 A 40 40 LEU H H 40 8.227 8.591 -0.364 1
1 370 . 4 1 1 A 40 40 LEU HA H 40 4.104 4.066 0.038 1
1 380 . 4 1 1 A 40 40 LEU C C 40 178.420 178.966 -0.546 1
1 381 . 4 1 1 A 40 40 LEU CA C 40 58.235 58.119 0.116 1
1 382 . 4 1 1 A 40 40 LEU CB C 40 40.797 41.812 -1.015 1
1 386 . 4 1 1 A 40 40 LEU N N 40 123.592 122.983 0.609 1
1 387 . 4 1 1 A 41 41 LYS H H 41 8.470 8.259 0.211 1
1 388 . 4 1 1 A 41 41 LYS HA H 41 3.824 3.886 -0.062 1
1 397 . 4 1 1 A 41 41 LYS C C 41 178.476 178.904 -0.428 1
1 398 . 4 1 1 A 41 41 LYS CA C 41 61.313 60.485 0.828 1
1 399 . 4 1 1 A 41 41 LYS CB C 41 32.414 32.234 0.180 1
1 403 . 4 1 1 A 41 41 LYS N N 41 118.401 118.860 -0.459 1
1 404 . 4 1 1 A 42 42 ASP H H 42 7.956 8.063 -0.107 1
1 405 . 4 1 1 A 42 42 ASP HA H 42 4.447 4.416 0.031 1
1 408 . 4 1 1 A 42 42 ASP C C 42 178.806 178.609 0.197 1
1 409 . 4 1 1 A 42 42 ASP CA C 42 57.802 57.612 0.190 1
1 410 . 4 1 1 A 42 42 ASP CB C 42 40.585 41.498 -0.913 1
1 411 . 4 1 1 A 42 42 ASP N N 42 119.295 120.298 -1.003 1
1 412 . 4 1 1 A 43 43 LYS H H 43 8.024 8.063 -0.039 1
1 413 . 4 1 1 A 43 43 LYS HA H 43 4.039 4.072 -0.033 1
1 422 . 4 1 1 A 43 43 LYS C C 43 179.941 179.516 0.425 1
1 423 . 4 1 1 A 43 43 LYS CA C 43 60.014 59.224 0.790 1
1 424 . 4 1 1 A 43 43 LYS CB C 43 32.865 32.453 0.412 1
1 428 . 4 1 1 A 43 43 LYS N N 43 119.784 118.547 1.237 1
1 429 . 4 1 1 A 44 44 ILE H H 44 8.480 8.128 0.352 1
1 430 . 4 1 1 A 44 44 ILE HA H 44 3.702 3.913 -0.211 1
1 440 . 4 1 1 A 44 44 ILE C C 44 177.328 178.464 -1.136 1
1 441 . 4 1 1 A 44 44 ILE CA C 44 65.725 65.005 0.720 1
1 442 . 4 1 1 A 44 44 ILE CB C 44 38.110 37.519 0.591 1
1 446 . 4 1 1 A 44 44 ILE N N 44 119.363 120.370 -1.007 1
1 447 . 4 1 1 A 45 45 HIS H H 45 8.635 8.482 0.153 1
1 448 . 4 1 1 A 45 45 HIS HA H 45 4.471 4.246 0.225 1
1 453 . 4 1 1 A 45 45 HIS C C 45 176.407 176.955 -0.548 1
1 454 . 4 1 1 A 45 45 HIS CA C 45 58.451 59.802 -1.351 1
1 455 . 4 1 1 A 45 45 HIS CB C 45 28.055 29.696 -1.641 1
1 458 . 4 1 1 A 45 45 HIS N N 45 118.889 119.738 -0.849 1
1 461 . 4 1 1 A 46 46 ILE H H 46 7.868 7.865 0.003 1
1 462 . 4 1 1 A 46 46 ILE HA H 46 3.571 3.610 -0.039 1
1 472 . 4 1 1 A 46 46 ILE C C 46 177.371 178.221 -0.850 1
1 473 . 4 1 1 A 46 46 ILE CA C 46 63.925 63.843 0.082 1
1 474 . 4 1 1 A 46 46 ILE CB C 46 37.704 36.969 0.735 1
1 478 . 4 1 1 A 46 46 ILE N N 46 118.414 119.298 -0.884 1
1 479 . 4 1 1 A 47 47 VAL H H 47 7.223 7.396 -0.173 1
1 480 . 4 1 1 A 47 47 VAL HA H 47 3.684 3.607 0.077 1
1 488 . 4 1 1 A 47 47 VAL C C 47 176.706 176.598 0.108 1
1 489 . 4 1 1 A 47 47 VAL CA C 47 64.807 65.468 -0.661 1
1 490 . 4 1 1 A 47 47 VAL CB C 47 32.209 32.166 0.043 1
1 493 . 4 1 1 A 47 47 VAL N N 47 116.982 120.350 -3.368 1
1 494 . 4 1 1 A 48 48 GLU H H 48 8.090 8.213 -0.123 1
1 495 . 4 1 1 A 48 48 GLU HA H 48 4.271 4.252 0.019 1
1 500 . 4 1 1 A 48 48 GLU C C 48 176.042 176.334 -0.292 1
1 501 . 4 1 1 A 48 48 GLU CA C 48 55.062 54.760 0.302 1
1 502 . 4 1 1 A 48 48 GLU CB C 48 31.544 31.588 -0.044 1
1 504 . 4 1 1 A 48 48 GLU N N 48 118.849 119.839 -0.990 1
1 505 . 4 1 1 A 49 49 ASN H H 49 8.113 8.398 -0.285 1
1 506 . 4 1 1 A 49 49 ASN HA H 49 4.137 4.689 -0.552 1
1 511 . 4 1 1 A 49 49 ASN C C 49 174.993 176.272 -1.279 1
1 512 . 4 1 1 A 49 49 ASN CA C 49 54.287 54.638 -0.351 1
1 513 . 4 1 1 A 49 49 ASN CB C 49 37.647 39.761 -2.114 1
1 514 . 4 1 1 A 49 49 ASN N N 49 118.695 119.368 -0.673 1
1 516 . 4 1 1 A 50 50 THR H H 50 7.780 7.308 0.472 1
1 517 . 4 1 1 A 50 50 THR HA H 50 4.483 4.421 0.062 1
1 522 . 4 1 1 A 50 50 THR C C 50 173.107 173.070 0.037 1
1 523 . 4 1 1 A 50 50 THR CA C 50 61.094 61.648 -0.554 1
1 524 . 4 1 1 A 50 50 THR CB C 50 70.926 69.741 1.185 1
1 526 . 4 1 1 A 50 50 THR N N 50 118.434 115.685 2.749 1
1 527 . 4 1 1 A 51 51 PRO HA H 51 4.485 4.710 -0.225 1
1 534 . 4 1 1 A 51 51 PRO C C 51 178.067 177.628 0.439 1
1 535 . 4 1 1 A 51 51 PRO CA C 51 63.075 63.015 0.060 1
1 536 . 4 1 1 A 51 51 PRO CB C 51 31.996 32.847 -0.851 1
1 539 . 4 1 1 A 52 52 ILE H H 52 8.530 8.133 0.397 1
1 540 . 4 1 1 A 52 52 ILE HA H 52 3.764 3.870 -0.106 1
1 550 . 4 1 1 A 52 52 ILE C C 52 179.363 177.845 1.518 1
1 551 . 4 1 1 A 52 52 ILE CA C 52 64.855 63.704 1.151 1
1 552 . 4 1 1 A 52 52 ILE CB C 52 38.109 37.671 0.438 1
1 556 . 4 1 1 A 52 52 ILE N N 52 125.501 122.829 2.672 1
1 557 . 4 1 1 A 53 53 LYS H H 53 8.603 8.050 0.553 1
1 558 . 4 1 1 A 53 53 LYS HA H 53 4.180 3.961 0.219 1
1 567 . 4 1 1 A 53 53 LYS C C 53 177.113 178.634 -1.521 1
1 568 . 4 1 1 A 53 53 LYS CA C 53 57.816 59.955 -2.139 1
1 569 . 4 1 1 A 53 53 LYS CB C 53 31.992 32.096 -0.104 1
1 573 . 4 1 1 A 53 53 LYS N N 53 117.464 120.724 -3.260 1
1 574 . 4 1 1 A 54 54 ARG H H 54 7.479 7.275 0.204 1
1 575 . 4 1 1 A 54 54 ARG HA H 54 4.361 4.402 -0.041 1
1 582 . 4 1 1 A 54 54 ARG C C 54 175.507 176.272 -0.765 1
1 583 . 4 1 1 A 54 54 ARG CA C 54 56.051 57.512 -1.461 1
1 584 . 4 1 1 A 54 54 ARG CB C 54 31.559 31.202 0.357 1
1 587 . 4 1 1 A 54 54 ARG N N 54 114.601 116.905 -2.304 1
1 588 . 4 1 1 A 55 55 MET H H 55 7.479 7.467 0.012 1
1 589 . 4 1 1 A 55 55 MET HA H 55 4.435 4.590 -0.155 1
1 597 . 4 1 1 A 55 55 MET C C 55 175.276 176.048 -0.772 1
1 598 . 4 1 1 A 55 55 MET CA C 55 57.365 54.932 2.433 1
1 599 . 4 1 1 A 55 55 MET CB C 55 35.142 33.956 1.186 1
1 602 . 4 1 1 A 55 55 MET N N 55 116.986 117.390 -0.404 1
1 603 . 4 1 1 A 56 56 GLN H H 56 8.958 8.729 0.229 1
1 604 . 4 1 1 A 56 56 GLN HA H 56 4.502 4.976 -0.474 1
1 611 . 4 1 1 A 56 56 GLN C C 56 173.429 174.532 -1.103 1
1 612 . 4 1 1 A 56 56 GLN CA C 56 54.982 54.461 0.521 1
1 613 . 4 1 1 A 56 56 GLN CB C 56 32.420 32.119 0.301 1
1 615 . 4 1 1 A 56 56 GLN N N 56 124.094 122.494 1.600 1
1 617 . 4 1 1 A 57 57 LEU H H 57 8.603 8.614 -0.011 1
1 618 . 4 1 1 A 57 57 LEU HA H 57 5.190 5.130 0.060 1
1 628 . 4 1 1 A 57 57 LEU C C 57 175.421 175.635 -0.214 1
1 629 . 4 1 1 A 57 57 LEU CA C 57 53.437 53.910 -0.473 1
1 630 . 4 1 1 A 57 57 LEU CB C 57 44.367 43.307 1.060 1
1 634 . 4 1 1 A 57 57 LEU N N 57 124.534 123.976 0.558 1
1 635 . 4 1 1 A 58 58 TYR H H 58 9.319 9.414 -0.095 1
1 636 . 4 1 1 A 58 58 TYR HA H 58 5.145 5.139 0.006 1
1 643 . 4 1 1 A 58 58 TYR C C 58 174.821 174.316 0.505 1
1 644 . 4 1 1 A 58 58 TYR CA C 58 56.503 56.841 -0.338 1
1 645 . 4 1 1 A 58 58 TYR CB C 58 43.323 42.619 0.704 1
1 648 . 4 1 1 A 58 58 TYR N N 58 119.746 122.349 -2.603 1
1 649 . 4 1 1 A 59 59 TYR H H 59 8.993 9.394 -0.401 1
1 650 . 4 1 1 A 59 59 TYR HA H 59 5.173 4.980 0.193 1
1 657 . 4 1 1 A 59 59 TYR C C 59 174.980 175.474 -0.494 1
1 658 . 4 1 1 A 59 59 TYR CA C 59 55.625 57.408 -1.783 1
1 659 . 4 1 1 A 59 59 TYR CB C 59 41.981 41.329 0.652 1
1 662 . 4 1 1 A 59 59 TYR N N 59 120.286 125.551 -5.265 1
1 663 . 4 1 1 A 60 60 SER H H 60 9.320 8.926 0.394 1
1 664 . 4 1 1 A 60 60 SER HA H 60 3.668 4.144 -0.476 1
1 667 . 4 1 1 A 60 60 SER C C 60 174.893 174.356 0.537 1
1 668 . 4 1 1 A 60 60 SER CA C 60 57.815 60.108 -2.293 1
1 669 . 4 1 1 A 60 60 SER CB C 60 62.602 62.589 0.013 1
1 670 . 4 1 1 A 60 60 SER N N 60 125.263 124.296 0.967 1
1 671 . 4 1 1 A 61 61 GLY H H 61 8.649 8.165 0.484 1
1 672 . 4 1 1 A 61 61 GLY HA2 H 61 4.035 4.075 -0.040 1
1 673 . 4 1 1 A 61 61 GLY HA3 H 61 3.409 4.109 -0.700 1
1 674 . 4 1 1 A 61 61 GLY C C 61 173.346 173.477 -0.131 1
1 675 . 4 1 1 A 61 61 GLY CA C 61 44.726 45.457 -0.731 1
1 676 . 4 1 1 A 62 62 ILE H H 62 8.128 7.977 0.151 1
1 677 . 4 1 1 A 62 62 ILE HA H 62 4.304 4.270 0.034 1
1 687 . 4 1 1 A 62 62 ILE C C 62 174.950 175.127 -0.177 1
1 688 . 4 1 1 A 62 62 ILE CA C 62 59.396 60.438 -1.042 1
1 689 . 4 1 1 A 62 62 ILE CB C 62 39.110 39.124 -0.014 1
1 693 . 4 1 1 A 62 62 ILE N N 62 123.077 120.532 2.545 1
1 694 . 4 1 1 A 63 63 GLU H H 63 8.697 8.894 -0.197 1
1 695 . 4 1 1 A 63 63 GLU HA H 63 3.534 4.110 -0.576 1
1 700 . 4 1 1 A 63 63 GLU C C 63 177.156 175.483 1.673 1
1 701 . 4 1 1 A 63 63 GLU CA C 63 55.231 56.060 -0.829 1
1 702 . 4 1 1 A 63 63 GLU CB C 63 29.804 29.733 0.071 1
1 704 . 4 1 1 A 63 63 GLU N N 63 127.682 128.105 -0.423 1
1 705 . 4 1 1 A 64 64 LEU H H 64 8.791 8.437 0.354 1
1 706 . 4 1 1 A 64 64 LEU HA H 64 3.954 4.073 -0.119 1
1 716 . 4 1 1 A 64 64 LEU C C 64 176.428 176.588 -0.160 1
1 717 . 4 1 1 A 64 64 LEU CA C 64 52.211 54.129 -1.918 1
1 718 . 4 1 1 A 64 64 LEU CB C 64 37.239 39.889 -2.650 1
1 722 . 4 1 1 A 64 64 LEU N N 64 130.005 128.450 1.555 1
1 723 . 4 1 1 A 65 65 ALA H H 65 7.369 8.238 -0.869 1
1 724 . 4 1 1 A 65 65 ALA HA H 65 4.052 4.311 -0.259 1
1 728 . 4 1 1 A 65 65 ALA C C 65 176.322 177.144 -0.822 1
1 729 . 4 1 1 A 65 65 ALA CA C 65 53.207 52.867 0.340 1
1 730 . 4 1 1 A 65 65 ALA CB C 65 20.170 19.766 0.404 1
1 731 . 4 1 1 A 65 65 ALA N N 65 124.744 126.799 -2.055 1
1 732 . 4 1 1 A 66 66 ASP H H 66 7.472 7.497 -0.025 1
1 733 . 4 1 1 A 66 66 ASP HA H 66 4.857 4.648 0.209 1
1 736 . 4 1 1 A 66 66 ASP C C 66 175.635 175.678 -0.043 1
1 737 . 4 1 1 A 66 66 ASP CA C 66 52.192 53.463 -1.271 1
1 738 . 4 1 1 A 66 66 ASP CB C 66 41.603 39.159 2.444 1
1 739 . 4 1 1 A 66 66 ASP N N 66 117.457 118.122 -0.665 1
1 740 . 4 1 1 A 67 67 ASP H H 67 8.541 8.490 0.051 1
1 741 . 4 1 1 A 67 67 ASP HA H 67 4.209 4.309 -0.100 1
1 744 . 4 1 1 A 67 67 ASP C C 67 176.292 177.300 -1.008 1
1 745 . 4 1 1 A 67 67 ASP CA C 67 56.925 56.721 0.204 1
1 746 . 4 1 1 A 67 67 ASP CB C 67 40.835 40.465 0.370 1
1 747 . 4 1 1 A 67 67 ASP N N 67 124.544 126.249 -1.705 1
1 748 . 4 1 1 A 68 68 TYR H H 68 7.701 7.592 0.109 1
1 749 . 4 1 1 A 68 68 TYR HA H 68 4.589 4.493 0.096 1
1 756 . 4 1 1 A 68 68 TYR C C 68 175.742 176.112 -0.370 1
1 757 . 4 1 1 A 68 68 TYR CA C 68 56.622 58.290 -1.668 1
1 758 . 4 1 1 A 68 68 TYR CB C 68 37.607 38.576 -0.969 1
1 761 . 4 1 1 A 68 68 TYR N N 68 112.752 116.239 -3.487 1
1 762 . 4 1 1 A 69 69 ARG H H 69 7.182 7.310 -0.128 1
1 763 . 4 1 1 A 69 69 ARG HA H 69 4.245 4.482 -0.237 1
1 771 . 4 1 1 A 69 69 ARG C C 69 175.443 175.694 -0.251 1
1 772 . 4 1 1 A 69 69 ARG CA C 69 56.056 55.144 0.912 1
1 773 . 4 1 1 A 69 69 ARG CB C 69 31.536 31.181 0.355 1
1 776 . 4 1 1 A 69 69 ARG N N 69 122.155 122.590 -0.435 1
1 778 . 4 1 1 A 70 70 ASN H H 70 8.749 8.671 0.078 1
1 779 . 4 1 1 A 70 70 ASN HA H 70 5.068 5.024 0.044 1
1 784 . 4 1 1 A 70 70 ASN C C 70 177.349 176.182 1.167 1
1 785 . 4 1 1 A 70 70 ASN CA C 70 52.528 51.715 0.813 1
1 786 . 4 1 1 A 70 70 ASN CB C 70 39.856 40.936 -1.080 1
1 787 . 4 1 1 A 70 70 ASN N N 70 120.300 119.427 0.873 1
1 789 . 4 1 1 A 71 71 LEU H H 71 8.603 9.274 -0.671 1
1 790 . 4 1 1 A 71 71 LEU HA H 71 3.943 4.087 -0.144 1
1 800 . 4 1 1 A 71 71 LEU C C 71 179.470 178.990 0.480 1
1 801 . 4 1 1 A 71 71 LEU CA C 71 58.074 57.888 0.186 1
1 802 . 4 1 1 A 71 71 LEU CB C 71 39.446 41.384 -1.938 1
1 806 . 4 1 1 A 71 71 LEU N N 71 118.872 124.140 -5.268 1
1 807 . 4 1 1 A 72 72 ASN H H 72 8.561 8.606 -0.045 1
1 808 . 4 1 1 A 72 72 ASN HA H 72 4.394 4.387 0.007 1
1 813 . 4 1 1 A 72 72 ASN C C 72 178.592 177.285 1.307 1
1 814 . 4 1 1 A 72 72 ASN CA C 72 56.065 55.745 0.320 1
1 815 . 4 1 1 A 72 72 ASN CB C 72 37.663 37.359 0.304 1
1 816 . 4 1 1 A 72 72 ASN N N 72 115.744 116.414 -0.670 1
1 818 . 4 1 1 A 73 73 GLU H H 73 7.979 7.752 0.227 1
1 819 . 4 1 1 A 73 73 GLU HA H 73 4.041 3.913 0.128 1
1 824 . 4 1 1 A 73 73 GLU C C 73 177.778 177.414 0.364 1
1 825 . 4 1 1 A 73 73 GLU CA C 73 58.680 58.887 -0.207 1
1 826 . 4 1 1 A 73 73 GLU CB C 73 29.114 29.093 0.021 1
1 828 . 4 1 1 A 73 73 GLU N N 73 121.014 119.893 1.121 1
1 829 . 4 1 1 A 74 74 TYR H H 74 7.500 7.421 0.079 1
1 830 . 4 1 1 A 74 74 TYR HA H 74 4.567 4.637 -0.070 1
1 837 . 4 1 1 A 74 74 TYR C C 74 175.592 175.895 -0.303 1
1 838 . 4 1 1 A 74 74 TYR CA C 74 58.790 57.608 1.182 1
1 839 . 4 1 1 A 74 74 TYR CB C 74 39.440 38.645 0.795 1
1 842 . 4 1 1 A 74 74 TYR N N 74 115.573 116.360 -0.787 1
1 843 . 4 1 1 A 75 75 GLY H H 75 7.702 7.817 -0.115 1
1 844 . 4 1 1 A 75 75 GLY HA2 H 75 4.274 3.940 0.334 1
1 845 . 4 1 1 A 75 75 GLY HA3 H 75 3.749 3.989 -0.240 1
1 846 . 4 1 1 A 75 75 GLY C C 75 174.007 174.676 -0.669 1
1 847 . 4 1 1 A 75 75 GLY CA C 75 45.133 46.336 -1.203 1
1 848 . 4 1 1 A 75 75 GLY N N 75 105.620 109.051 -3.431 1
1 849 . 4 1 1 A 76 76 ILE H H 76 6.628 7.797 -1.169 1
1 850 . 4 1 1 A 76 76 ILE HA H 76 3.170 3.706 -0.536 1
1 860 . 4 1 1 A 76 76 ILE C C 76 174.607 174.801 -0.194 1
1 861 . 4 1 1 A 76 76 ILE CA C 76 62.037 61.222 0.815 1
1 862 . 4 1 1 A 76 76 ILE CB C 76 36.805 37.009 -0.204 1
1 866 . 4 1 1 A 76 76 ILE N N 76 120.041 122.501 -2.460 1
1 867 . 4 1 1 A 77 77 THR H H 77 8.437 8.584 -0.147 1
1 868 . 4 1 1 A 77 77 THR HA H 77 4.420 4.633 -0.213 1
1 873 . 4 1 1 A 77 77 THR C C 77 172.893 173.195 -0.302 1
1 874 . 4 1 1 A 77 77 THR CA C 77 58.687 59.545 -0.858 1
1 875 . 4 1 1 A 77 77 THR CB C 77 70.917 71.161 -0.244 1
1 877 . 4 1 1 A 77 77 THR N N 77 121.014 122.499 -1.485 1
1 878 . 4 1 1 A 78 78 GLU H H 78 8.235 8.599 -0.364 1
1 879 . 4 1 1 A 78 78 GLU HA H 78 4.088 4.002 0.086 1
1 884 . 4 1 1 A 78 78 GLU C C 78 177.242 177.193 0.049 1
1 885 . 4 1 1 A 78 78 GLU CA C 78 58.254 57.053 1.201 1
1 886 . 4 1 1 A 78 78 GLU CB C 78 29.336 29.950 -0.614 1
1 888 . 4 1 1 A 78 78 GLU N N 78 121.643 124.071 -2.428 1
1 889 . 4 1 1 A 79 79 PHE H H 79 9.152 8.552 0.600 1
1 890 . 4 1 1 A 79 79 PHE HA H 79 4.363 4.058 0.305 1
1 895 . 4 1 1 A 79 79 PHE C C 79 176.385 174.568 1.817 1
1 896 . 4 1 1 A 79 79 PHE CA C 79 59.552 59.267 0.285 1
1 897 . 4 1 1 A 79 79 PHE CB C 79 36.282 35.947 0.335 1
1 899 . 4 1 1 A 79 79 PHE N N 79 118.909 119.399 -0.490 1
1 900 . 4 1 1 A 80 80 SER H H 80 8.341 8.008 0.333 1
1 901 . 4 1 1 A 80 80 SER HA H 80 4.576 4.756 -0.180 1
1 904 . 4 1 1 A 80 80 SER C C 80 171.629 174.372 -2.743 1
1 905 . 4 1 1 A 80 80 SER CA C 80 61.398 58.247 3.151 1
1 906 . 4 1 1 A 80 80 SER CB C 80 64.796 64.034 0.762 1
1 907 . 4 1 1 A 80 80 SER N N 80 118.396 114.078 4.318 1
1 908 . 4 1 1 A 81 81 GLU H H 81 8.692 8.689 0.003 1
1 909 . 4 1 1 A 81 81 GLU HA H 81 5.115 4.683 0.432 1
1 914 . 4 1 1 A 81 81 GLU C C 81 174.993 175.315 -0.322 1
1 915 . 4 1 1 A 81 81 GLU CA C 81 54.749 55.896 -1.147 1
1 916 . 4 1 1 A 81 81 GLU CB C 81 31.666 29.971 1.695 1
1 918 . 4 1 1 A 81 81 GLU N N 81 122.155 125.139 -2.984 1
1 919 . 4 1 1 A 82 82 ILE H H 82 9.335 8.783 0.552 1
1 920 . 4 1 1 A 82 82 ILE HA H 82 4.796 4.555 0.241 1
1 930 . 4 1 1 A 82 82 ILE C C 82 174.350 175.482 -1.132 1
1 931 . 4 1 1 A 82 82 ILE CA C 82 58.543 60.347 -1.804 1
1 932 . 4 1 1 A 82 82 ILE CB C 82 39.050 37.580 1.470 1
1 936 . 4 1 1 A 82 82 ILE N N 82 127.389 126.319 1.070 1
1 937 . 4 1 1 A 83 83 VAL H H 83 9.136 9.018 0.118 1
1 938 . 4 1 1 A 83 83 VAL HA H 83 4.359 4.336 0.023 1
1 946 . 4 1 1 A 83 83 VAL C C 83 174.971 175.134 -0.163 1
1 947 . 4 1 1 A 83 83 VAL CA C 83 61.756 62.055 -0.299 1
1 948 . 4 1 1 A 83 83 VAL CB C 83 33.537 31.471 2.066 1
1 951 . 4 1 1 A 83 83 VAL N N 83 128.322 128.457 -0.135 1
1 952 . 4 1 1 A 84 84 VAL H H 84 8.019 8.759 -0.740 1
1 953 . 4 1 1 A 84 84 VAL HA H 84 4.524 4.787 -0.263 1
1 961 . 4 1 1 A 84 84 VAL C C 84 175.090 174.972 0.118 1
1 962 . 4 1 1 A 84 84 VAL CA C 84 61.268 60.995 0.273 1
1 963 . 4 1 1 A 84 84 VAL CB C 84 32.543 31.917 0.626 1
1 966 . 4 1 1 A 84 84 VAL N N 84 125.746 128.471 -2.725 1
1 967 . 4 1 1 A 85 85 PHE H H 85 9.165 9.083 0.082 1
1 968 . 4 1 1 A 85 85 PHE HA H 85 4.795 4.867 -0.072 1
1 976 . 4 1 1 A 85 85 PHE C C 85 174.414 175.104 -0.690 1
1 977 . 4 1 1 A 85 85 PHE CA C 85 55.636 56.983 -1.347 1
1 978 . 4 1 1 A 85 85 PHE CB C 85 41.618 39.334 2.284 1
1 982 . 4 1 1 A 85 85 PHE N N 85 126.921 126.788 0.133 1
1 983 . 4 1 1 A 86 86 LEU H H 86 8.314 8.862 -0.548 1
1 984 . 4 1 1 A 86 86 LEU HA H 86 5.103 4.517 0.586 1
1 994 . 4 1 1 A 86 86 LEU C C 86 177.221 176.865 0.356 1
1 995 . 4 1 1 A 86 86 LEU CA C 86 52.667 54.576 -1.909 1
1 996 . 4 1 1 A 86 86 LEU CB C 86 42.493 41.175 1.318 1
1 1000 . 4 1 1 A 86 86 LEU N N 86 122.166 126.735 -4.569 1
1 1001 . 4 1 1 A 87 87 LYS H H 87 9.006 8.303 0.703 1
1 1002 . 4 1 1 A 87 87 LYS HA H 87 4.276 4.355 -0.079 1
1 1011 . 4 1 1 A 87 87 LYS C C 87 176.685 177.228 -0.543 1
1 1012 . 4 1 1 A 87 87 LYS CA C 87 56.069 57.680 -1.611 1
1 1013 . 4 1 1 A 87 87 LYS CB C 87 33.751 32.320 1.431 1
1 1017 . 4 1 1 A 87 87 LYS N N 87 124.552 125.835 -1.283 1
1 1018 . 4 1 1 A 88 88 SER H H 88 8.640 7.798 0.842 1
1 1019 . 4 1 1 A 88 88 SER HA H 88 4.461 4.464 -0.003 1
1 1022 . 4 1 1 A 88 88 SER C C 88 174.671 175.281 -0.610 1
1 1023 . 4 1 1 A 88 88 SER CA C 88 58.244 57.276 0.968 1
1 1024 . 4 1 1 A 88 88 SER CB C 88 63.518 61.969 1.549 1
1 1025 . 4 1 1 A 88 88 SER N N 88 118.741 116.401 2.340 1
1 1026 . 4 1 1 A 89 89 ILE H H 89 8.401 7.947 0.454 1
1 1027 . 4 1 1 A 89 89 ILE HA H 89 4.173 3.805 0.368 1
1 1037 . 4 1 1 A 89 89 ILE C C 89 175.828 175.948 -0.120 1
1 1038 . 4 1 1 A 89 89 ILE CA C 89 61.240 64.088 -2.848 1
1 1039 . 4 1 1 A 89 89 ILE CB C 89 38.930 37.450 1.480 1
1 1043 . 4 1 1 A 89 89 ILE N N 89 122.196 124.307 -2.111 1
1 1044 . 4 1 1 A 90 90 ASN H H 90 8.479 7.833 0.646 1
1 1045 . 4 1 1 A 90 90 ASN HA H 90 4.709 4.737 -0.028 1
1 1050 . 4 1 1 A 90 90 ASN C C 90 174.971 173.915 1.056 1
1 1051 . 4 1 1 A 90 90 ASN CA C 90 52.863 52.514 0.349 1
1 1052 . 4 1 1 A 90 90 ASN CB C 90 38.726 38.429 0.297 1
1 1053 . 4 1 1 A 90 90 ASN N N 90 122.645 121.560 1.085 1
1 1055 . 4 1 1 A 91 91 ARG H H 91 8.340 8.806 -0.466 1
1 1056 . 4 1 1 A 91 91 ARG HA H 91 4.321 4.781 -0.460 1
1 1063 . 4 1 1 A 91 91 ARG C C 91 175.850 175.607 0.243 1
1 1064 . 4 1 1 A 91 91 ARG CA C 91 55.708 55.823 -0.115 1
1 1065 . 4 1 1 A 91 91 ARG CB C 91 30.704 30.739 -0.035 1
1 1068 . 4 1 1 A 91 91 ARG N N 91 122.190 127.012 -4.822 1
1 1069 . 4 1 1 A 92 92 ALA H H 92 8.310 8.437 -0.127 1
1 1070 . 4 1 1 A 92 92 ALA HA H 92 4.292 4.712 -0.420 1
1 1074 . 4 1 1 A 92 92 ALA C C 92 177.456 177.372 0.084 1
1 1075 . 4 1 1 A 92 92 ALA CA C 92 52.524 51.072 1.452 1
1 1076 . 4 1 1 A 92 92 ALA CB C 92 19.254 20.785 -1.531 1
1 1077 . 4 1 1 A 92 92 ALA N N 92 125.492 127.684 -2.192 1
1 1078 . 4 1 1 A 93 93 LYS H H 93 8.189 8.755 -0.566 1
1 1079 . 4 1 1 A 93 93 LYS HA H 93 4.318 4.360 -0.042 1
1 1088 . 4 1 1 A 93 93 LYS C C 93 175.357 176.078 -0.721 1
1 1089 . 4 1 1 A 93 93 LYS CA C 93 56.059 58.305 -2.246 1
1 1090 . 4 1 1 A 93 93 LYS CB C 93 33.101 32.696 0.405 1
1 1094 . 4 1 1 A 93 93 LYS N N 93 120.307 115.521 4.786 1
1 1 . 5 1 1 A 11 11 ALA HA H 11 4.252 4.191 0.061 1
1 5 . 5 1 1 A 11 11 ALA CA C 11 52.471 51.806 0.665 1
1 6 . 5 1 1 A 11 11 ALA CB C 11 19.020 19.937 -0.917 1
1 7 . 5 1 1 A 12 12 ALA H H 12 8.179 8.289 -0.110 1
1 8 . 5 1 1 A 12 12 ALA HA H 12 4.291 4.514 -0.223 1
1 12 . 5 1 1 A 12 12 ALA C C 12 177.662 176.611 1.051 1
1 13 . 5 1 1 A 12 12 ALA CA C 12 52.444 51.994 0.450 1
1 14 . 5 1 1 A 12 12 ALA CB C 12 18.943 18.956 -0.013 1
1 15 . 5 1 1 A 12 12 ALA N N 12 123.114 122.696 0.418 1
1 16 . 5 1 1 A 13 13 VAL H H 13 8.006 8.696 -0.690 1
1 17 . 5 1 1 A 13 13 VAL HA H 13 4.100 4.926 -0.826 1
1 25 . 5 1 1 A 13 13 VAL C C 13 175.990 173.864 2.126 1
1 26 . 5 1 1 A 13 13 VAL CA C 13 62.182 59.555 2.627 1
1 27 . 5 1 1 A 13 13 VAL CB C 13 32.442 35.114 -2.672 1
1 29 . 5 1 1 A 13 13 VAL N N 13 119.213 122.727 -3.514 1
1 30 . 5 1 1 A 14 14 ARG H H 14 8.329 8.891 -0.562 1
1 31 . 5 1 1 A 14 14 ARG HA H 14 4.344 4.878 -0.534 1
1 38 . 5 1 1 A 14 14 ARG C C 14 175.844 175.764 0.080 1
1 39 . 5 1 1 A 14 14 ARG CA C 14 56.071 53.880 2.191 1
1 40 . 5 1 1 A 14 14 ARG CB C 14 31.099 33.371 -2.272 1
1 43 . 5 1 1 A 14 14 ARG N N 14 125.039 127.859 -2.820 1
1 44 . 5 1 1 A 15 15 LYS H H 15 8.147 8.291 -0.144 1
1 45 . 5 1 1 A 15 15 LYS HA H 15 4.552 4.340 0.212 1
1 54 . 5 1 1 A 15 15 LYS C C 15 176.186 177.143 -0.957 1
1 55 . 5 1 1 A 15 15 LYS CA C 15 55.632 56.653 -1.021 1
1 56 . 5 1 1 A 15 15 LYS CB C 15 33.543 33.103 0.440 1
1 60 . 5 1 1 A 15 15 LYS N N 15 121.711 121.901 -0.190 1
1 61 . 5 1 1 A 16 16 ILE H H 16 8.764 9.080 -0.316 1
1 62 . 5 1 1 A 16 16 ILE HA H 16 4.508 4.741 -0.233 1
1 72 . 5 1 1 A 16 16 ILE C C 16 174.333 174.474 -0.141 1
1 73 . 5 1 1 A 16 16 ILE CA C 16 59.343 59.194 0.149 1
1 74 . 5 1 1 A 16 16 ILE CB C 16 41.575 39.980 1.595 1
1 78 . 5 1 1 A 16 16 ILE N N 16 116.484 119.195 -2.711 1
1 79 . 5 1 1 A 17 17 HIS H H 17 8.659 8.971 -0.312 1
1 80 . 5 1 1 A 17 17 HIS HA H 17 5.130 5.275 -0.145 1
1 85 . 5 1 1 A 17 17 HIS C C 17 174.788 175.223 -0.435 1
1 86 . 5 1 1 A 17 17 HIS CA C 17 55.562 54.459 1.103 1
1 87 . 5 1 1 A 17 17 HIS CB C 17 30.047 30.771 -0.724 1
1 90 . 5 1 1 A 17 17 HIS N N 17 119.826 120.621 -0.795 1
1 93 . 5 1 1 A 18 18 VAL H H 18 8.788 9.018 -0.230 1
1 94 . 5 1 1 A 18 18 VAL HA H 18 4.681 4.700 -0.019 1
1 102 . 5 1 1 A 18 18 VAL C C 18 174.631 174.720 -0.089 1
1 103 . 5 1 1 A 18 18 VAL CA C 18 59.568 60.671 -1.103 1
1 104 . 5 1 1 A 18 18 VAL CB C 18 34.191 33.403 0.788 1
1 107 . 5 1 1 A 18 18 VAL N N 18 117.203 119.164 -1.961 1
1 108 . 5 1 1 A 19 19 THR H H 19 8.746 8.938 -0.192 1
1 109 . 5 1 1 A 19 19 THR HA H 19 4.603 4.753 -0.150 1
1 114 . 5 1 1 A 19 19 THR C C 19 172.422 173.482 -1.060 1
1 115 . 5 1 1 A 19 19 THR CA C 19 62.159 61.951 0.208 1
1 116 . 5 1 1 A 19 19 THR CB C 19 69.640 69.314 0.326 1
1 118 . 5 1 1 A 19 19 THR N N 19 121.216 119.541 1.675 1
1 119 . 5 1 1 A 20 20 VAL H H 20 9.268 9.234 0.034 1
1 120 . 5 1 1 A 20 20 VAL HA H 20 4.426 4.366 0.060 1
1 128 . 5 1 1 A 20 20 VAL C C 20 174.013 174.575 -0.562 1
1 129 . 5 1 1 A 20 20 VAL CA C 20 61.312 61.387 -0.075 1
1 130 . 5 1 1 A 20 20 VAL CB C 20 31.567 32.175 -0.608 1
1 133 . 5 1 1 A 20 20 VAL N N 20 128.437 127.996 0.441 1
1 134 . 5 1 1 A 21 21 LYS H H 21 9.147 8.852 0.295 1
1 135 . 5 1 1 A 21 21 LYS HA H 21 4.759 4.713 0.046 1
1 144 . 5 1 1 A 21 21 LYS C C 21 175.935 175.486 0.449 1
1 145 . 5 1 1 A 21 21 LYS CA C 21 55.384 55.091 0.293 1
1 146 . 5 1 1 A 21 21 LYS CB C 21 34.197 32.973 1.224 1
1 150 . 5 1 1 A 21 21 LYS N N 21 126.951 127.729 -0.778 1
1 151 . 5 1 1 A 22 22 PHE H H 22 8.938 8.763 0.175 1
1 152 . 5 1 1 A 22 22 PHE HA H 22 4.846 4.829 0.017 1
1 158 . 5 1 1 A 22 22 PHE C C 22 174.843 175.360 -0.517 1
1 159 . 5 1 1 A 22 22 PHE CA C 22 56.918 55.817 1.101 1
1 160 . 5 1 1 A 22 22 PHE CB C 22 39.021 41.530 -2.509 1
1 163 . 5 1 1 A 22 22 PHE N N 22 127.843 123.530 4.313 1
1 164 . 5 1 1 A 23 23 PRO HA H 23 4.192 4.380 -0.188 1
1 171 . 5 1 1 A 23 23 PRO C C 23 177.813 178.938 -1.125 1
1 172 . 5 1 1 A 23 23 PRO CA C 23 66.150 65.194 0.956 1
1 173 . 5 1 1 A 23 23 PRO CB C 23 31.588 32.011 -0.423 1
1 176 . 5 1 1 A 24 24 SER H H 24 8.115 8.804 -0.689 1
1 177 . 5 1 1 A 24 24 SER HA H 24 4.772 4.273 0.499 1
1 180 . 5 1 1 A 24 24 SER C C 24 173.836 174.890 -1.054 1
1 181 . 5 1 1 A 24 24 SER CA C 24 56.928 61.423 -4.495 1
1 182 . 5 1 1 A 24 24 SER CB C 24 64.789 63.864 0.925 1
1 183 . 5 1 1 A 24 24 SER N N 24 106.127 114.369 -8.242 1
1 184 . 5 1 1 A 25 25 LYS H H 25 7.321 7.746 -0.425 1
1 185 . 5 1 1 A 25 25 LYS HA H 25 4.739 4.738 0.001 1
1 194 . 5 1 1 A 25 25 LYS C C 25 172.915 173.967 -1.052 1
1 195 . 5 1 1 A 25 25 LYS CA C 25 55.863 55.110 0.753 1
1 196 . 5 1 1 A 25 25 LYS CB C 25 34.621 34.591 0.030 1
1 200 . 5 1 1 A 25 25 LYS N N 25 118.386 114.290 4.096 1
1 201 . 5 1 1 A 26 26 GLN H H 26 8.566 8.613 -0.047 1
1 202 . 5 1 1 A 26 26 GLN HA H 26 5.708 5.520 0.188 1
1 209 . 5 1 1 A 26 26 GLN C C 26 174.179 174.602 -0.423 1
1 210 . 5 1 1 A 26 26 GLN CA C 26 53.888 54.263 -0.375 1
1 211 . 5 1 1 A 26 26 GLN CB C 26 32.884 32.230 0.654 1
1 213 . 5 1 1 A 26 26 GLN N N 26 117.444 120.142 -2.698 1
1 215 . 5 1 1 A 27 27 PHE H H 27 8.564 8.445 0.119 1
1 216 . 5 1 1 A 27 27 PHE HA H 27 5.085 5.453 -0.368 1
1 224 . 5 1 1 A 27 27 PHE C C 27 173.234 172.462 0.772 1
1 225 . 5 1 1 A 27 27 PHE CA C 27 55.993 55.763 0.230 1
1 226 . 5 1 1 A 27 27 PHE CB C 27 40.088 42.259 -2.171 1
1 230 . 5 1 1 A 27 27 PHE N N 27 117.565 122.096 -4.531 1
1 231 . 5 1 1 A 28 28 THR H H 28 8.801 8.769 0.032 1
1 232 . 5 1 1 A 28 28 THR HA H 28 5.419 5.427 -0.008 1
1 237 . 5 1 1 A 28 28 THR C C 28 174.650 173.823 0.827 1
1 238 . 5 1 1 A 28 28 THR CA C 28 61.203 61.698 -0.495 1
1 239 . 5 1 1 A 28 28 THR CB C 28 70.508 70.868 -0.360 1
1 241 . 5 1 1 A 28 28 THR N N 28 115.093 115.554 -0.461 1
1 242 . 5 1 1 A 29 29 VAL H H 29 8.983 9.203 -0.220 1
1 243 . 5 1 1 A 29 29 VAL HA H 29 4.549 4.917 -0.368 1
1 251 . 5 1 1 A 29 29 VAL C C 29 173.686 174.622 -0.936 1
1 252 . 5 1 1 A 29 29 VAL CA C 29 60.118 60.388 -0.270 1
1 253 . 5 1 1 A 29 29 VAL CB C 29 35.498 35.576 -0.078 1
1 256 . 5 1 1 A 29 29 VAL N N 29 121.743 124.963 -3.220 1
1 257 . 5 1 1 A 30 30 GLU H H 30 8.460 8.695 -0.235 1
1 258 . 5 1 1 A 30 30 GLU HA H 30 4.894 5.118 -0.224 1
1 263 . 5 1 1 A 30 30 GLU C C 30 175.807 176.025 -0.218 1
1 264 . 5 1 1 A 30 30 GLU CA C 30 54.922 55.731 -0.809 1
1 265 . 5 1 1 A 30 30 GLU CB C 30 31.123 30.790 0.333 1
1 267 . 5 1 1 A 30 30 GLU N N 30 125.512 126.382 -0.870 1
1 268 . 5 1 1 A 31 31 VAL H H 31 8.917 8.770 0.147 1
1 269 . 5 1 1 A 31 31 VAL HA H 31 4.634 4.818 -0.184 1
1 277 . 5 1 1 A 31 31 VAL C C 31 174.136 173.908 0.228 1
1 278 . 5 1 1 A 31 31 VAL CA C 31 58.299 58.774 -0.475 1
1 279 . 5 1 1 A 31 31 VAL CB C 31 35.067 35.760 -0.693 1
1 282 . 5 1 1 A 31 31 VAL N N 31 118.900 118.072 0.828 1
1 283 . 5 1 1 A 32 32 ASP H H 32 9.032 8.970 0.062 1
1 284 . 5 1 1 A 32 32 ASP HA H 32 4.943 4.714 0.229 1
1 287 . 5 1 1 A 32 32 ASP C C 32 177.992 177.096 0.896 1
1 288 . 5 1 1 A 32 32 ASP CA C 32 53.428 54.178 -0.750 1
1 289 . 5 1 1 A 32 32 ASP CB C 32 42.939 42.310 0.629 1
1 290 . 5 1 1 A 32 32 ASP N N 32 121.708 124.640 -2.932 1
1 291 . 5 1 1 A 33 33 ARG H H 33 8.847 8.904 -0.057 1
1 292 . 5 1 1 A 33 33 ARG HA H 33 3.952 3.997 -0.045 1
1 299 . 5 1 1 A 33 33 ARG C C 33 176.257 177.234 -0.977 1
1 300 . 5 1 1 A 33 33 ARG CA C 33 59.113 59.044 0.069 1
1 301 . 5 1 1 A 33 33 ARG CB C 33 30.011 29.663 0.348 1
1 304 . 5 1 1 A 33 33 ARG N N 33 121.873 124.339 -2.466 1
1 305 . 5 1 1 A 34 34 THR H H 34 8.058 8.210 -0.152 1
1 306 . 5 1 1 A 34 34 THR HA H 34 4.350 4.372 -0.022 1
1 311 . 5 1 1 A 34 34 THR C C 34 174.371 174.156 0.215 1
1 312 . 5 1 1 A 34 34 THR CA C 34 60.432 61.850 -1.418 1
1 313 . 5 1 1 A 34 34 THR CB C 34 68.739 69.184 -0.445 1
1 315 . 5 1 1 A 34 34 THR N N 34 104.720 107.794 -3.074 1
1 316 . 5 1 1 A 35 35 GLU H H 35 7.473 7.452 0.021 1
1 317 . 5 1 1 A 35 35 GLU HA H 35 4.239 4.199 0.040 1
1 322 . 5 1 1 A 35 35 GLU C C 35 176.021 175.870 0.151 1
1 323 . 5 1 1 A 35 35 GLU CA C 35 56.921 56.577 0.344 1
1 324 . 5 1 1 A 35 35 GLU CB C 35 31.086 30.138 0.948 1
1 326 . 5 1 1 A 35 35 GLU N N 35 123.129 123.739 -0.610 1
1 327 . 5 1 1 A 36 36 THR H H 36 8.432 8.609 -0.177 1
1 328 . 5 1 1 A 36 36 THR HA H 36 4.987 5.077 -0.090 1
1 333 . 5 1 1 A 36 36 THR C C 36 175.939 176.337 -0.398 1
1 334 . 5 1 1 A 36 36 THR CA C 36 60.249 60.691 -0.442 1
1 335 . 5 1 1 A 36 36 THR CB C 36 71.783 71.316 0.467 1
1 337 . 5 1 1 A 36 36 THR N N 36 112.476 116.411 -3.935 1
1 338 . 5 1 1 A 37 37 VAL H H 37 8.087 8.643 -0.556 1
1 339 . 5 1 1 A 37 37 VAL HA H 37 3.411 3.666 -0.255 1
1 347 . 5 1 1 A 37 37 VAL C C 37 178.249 177.757 0.492 1
1 348 . 5 1 1 A 37 37 VAL CA C 37 67.397 66.526 0.871 1
1 349 . 5 1 1 A 37 37 VAL CB C 37 31.567 31.640 -0.073 1
1 352 . 5 1 1 A 37 37 VAL N N 37 121.215 122.822 -1.607 1
1 353 . 5 1 1 A 38 38 SER H H 38 8.863 7.892 0.971 1
1 354 . 5 1 1 A 38 38 SER HA H 38 4.760 4.101 0.659 1
1 357 . 5 1 1 A 38 38 SER C C 38 176.814 177.303 -0.489 1
1 358 . 5 1 1 A 38 38 SER CA C 38 57.746 61.709 -3.963 1
1 359 . 5 1 1 A 38 38 SER CB C 38 62.627 62.950 -0.323 1
1 360 . 5 1 1 A 38 38 SER N N 38 112.752 116.799 -4.047 1
1 361 . 5 1 1 A 39 39 SER H H 39 7.999 7.838 0.161 1
1 362 . 5 1 1 A 39 39 SER HA H 39 4.318 4.239 0.079 1
1 365 . 5 1 1 A 39 39 SER C C 39 177.692 176.564 1.128 1
1 366 . 5 1 1 A 39 39 SER CA C 39 61.338 62.125 -0.787 1
1 367 . 5 1 1 A 39 39 SER CB C 39 62.349 63.023 -0.674 1
1 368 . 5 1 1 A 39 39 SER N N 39 117.918 117.080 0.838 1
1 369 . 5 1 1 A 40 40 LEU H H 40 8.227 8.080 0.147 1
1 370 . 5 1 1 A 40 40 LEU HA H 40 4.104 4.075 0.029 1
1 380 . 5 1 1 A 40 40 LEU C C 40 178.420 178.826 -0.406 1
1 381 . 5 1 1 A 40 40 LEU CA C 40 58.235 58.340 -0.105 1
1 382 . 5 1 1 A 40 40 LEU CB C 40 40.797 41.957 -1.160 1
1 386 . 5 1 1 A 40 40 LEU N N 40 123.592 122.913 0.679 1
1 387 . 5 1 1 A 41 41 LYS H H 41 8.470 8.323 0.147 1
1 388 . 5 1 1 A 41 41 LYS HA H 41 3.824 3.887 -0.063 1
1 397 . 5 1 1 A 41 41 LYS C C 41 178.476 178.786 -0.310 1
1 398 . 5 1 1 A 41 41 LYS CA C 41 61.313 60.485 0.828 1
1 399 . 5 1 1 A 41 41 LYS CB C 41 32.414 32.213 0.201 1
1 403 . 5 1 1 A 41 41 LYS N N 41 118.401 118.516 -0.115 1
1 404 . 5 1 1 A 42 42 ASP H H 42 7.956 8.364 -0.408 1
1 405 . 5 1 1 A 42 42 ASP HA H 42 4.447 4.350 0.097 1
1 408 . 5 1 1 A 42 42 ASP C C 42 178.806 178.861 -0.055 1
1 409 . 5 1 1 A 42 42 ASP CA C 42 57.802 57.586 0.216 1
1 410 . 5 1 1 A 42 42 ASP CB C 42 40.585 42.153 -1.568 1
1 411 . 5 1 1 A 42 42 ASP N N 42 119.295 120.291 -0.996 1
1 412 . 5 1 1 A 43 43 LYS H H 43 8.024 7.827 0.197 1
1 413 . 5 1 1 A 43 43 LYS HA H 43 4.039 4.162 -0.123 1
1 422 . 5 1 1 A 43 43 LYS C C 43 179.941 179.576 0.365 1
1 423 . 5 1 1 A 43 43 LYS CA C 43 60.014 59.063 0.951 1
1 424 . 5 1 1 A 43 43 LYS CB C 43 32.865 32.478 0.387 1
1 428 . 5 1 1 A 43 43 LYS N N 43 119.784 117.998 1.786 1
1 429 . 5 1 1 A 44 44 ILE H H 44 8.480 8.075 0.405 1
1 430 . 5 1 1 A 44 44 ILE HA H 44 3.702 3.863 -0.161 1
1 440 . 5 1 1 A 44 44 ILE C C 44 177.328 178.409 -1.081 1
1 441 . 5 1 1 A 44 44 ILE CA C 44 65.725 65.404 0.321 1
1 442 . 5 1 1 A 44 44 ILE CB C 44 38.110 37.609 0.501 1
1 446 . 5 1 1 A 44 44 ILE N N 44 119.363 120.439 -1.076 1
1 447 . 5 1 1 A 45 45 HIS H H 45 8.635 8.433 0.202 1
1 448 . 5 1 1 A 45 45 HIS HA H 45 4.471 4.190 0.281 1
1 453 . 5 1 1 A 45 45 HIS C C 45 176.407 177.060 -0.653 1
1 454 . 5 1 1 A 45 45 HIS CA C 45 58.451 59.508 -1.057 1
1 455 . 5 1 1 A 45 45 HIS CB C 45 28.055 29.742 -1.687 1
1 458 . 5 1 1 A 45 45 HIS N N 45 118.889 119.769 -0.880 1
1 461 . 5 1 1 A 46 46 ILE H H 46 7.868 7.590 0.278 1
1 462 . 5 1 1 A 46 46 ILE HA H 46 3.571 3.624 -0.053 1
1 472 . 5 1 1 A 46 46 ILE C C 46 177.371 178.190 -0.819 1
1 473 . 5 1 1 A 46 46 ILE CA C 46 63.925 63.732 0.193 1
1 474 . 5 1 1 A 46 46 ILE CB C 46 37.704 36.907 0.797 1
1 478 . 5 1 1 A 46 46 ILE N N 46 118.414 119.456 -1.042 1
1 479 . 5 1 1 A 47 47 VAL H H 47 7.223 7.315 -0.092 1
1 480 . 5 1 1 A 47 47 VAL HA H 47 3.684 3.670 0.014 1
1 488 . 5 1 1 A 47 47 VAL C C 47 176.706 176.082 0.624 1
1 489 . 5 1 1 A 47 47 VAL CA C 47 64.807 65.135 -0.328 1
1 490 . 5 1 1 A 47 47 VAL CB C 47 32.209 32.377 -0.168 1
1 493 . 5 1 1 A 47 47 VAL N N 47 116.982 118.114 -1.132 1
1 494 . 5 1 1 A 48 48 GLU H H 48 8.090 8.256 -0.166 1
1 495 . 5 1 1 A 48 48 GLU HA H 48 4.271 4.488 -0.217 1
1 500 . 5 1 1 A 48 48 GLU C C 48 176.042 177.179 -1.137 1
1 501 . 5 1 1 A 48 48 GLU CA C 48 55.062 55.214 -0.152 1
1 502 . 5 1 1 A 48 48 GLU CB C 48 31.544 31.257 0.287 1
1 504 . 5 1 1 A 48 48 GLU N N 48 118.849 119.666 -0.817 1
1 505 . 5 1 1 A 49 49 ASN H H 49 8.113 8.555 -0.442 1
1 506 . 5 1 1 A 49 49 ASN HA H 49 4.137 4.730 -0.593 1
1 511 . 5 1 1 A 49 49 ASN C C 49 174.993 173.362 1.631 1
1 512 . 5 1 1 A 49 49 ASN CA C 49 54.287 53.067 1.220 1
1 513 . 5 1 1 A 49 49 ASN CB C 49 37.647 37.664 -0.017 1
1 514 . 5 1 1 A 49 49 ASN N N 49 118.695 122.082 -3.387 1
1 516 . 5 1 1 A 50 50 THR H H 50 7.780 7.540 0.240 1
1 517 . 5 1 1 A 50 50 THR HA H 50 4.483 4.823 -0.340 1
1 522 . 5 1 1 A 50 50 THR C C 50 173.107 172.893 0.214 1
1 523 . 5 1 1 A 50 50 THR CA C 50 61.094 59.152 1.942 1
1 524 . 5 1 1 A 50 50 THR CB C 50 70.926 70.647 0.279 1
1 526 . 5 1 1 A 50 50 THR N N 50 118.434 115.810 2.624 1
1 527 . 5 1 1 A 51 51 PRO HA H 51 4.485 4.606 -0.121 1
1 534 . 5 1 1 A 51 51 PRO C C 51 178.067 177.784 0.283 1
1 535 . 5 1 1 A 51 51 PRO CA C 51 63.075 63.098 -0.023 1
1 536 . 5 1 1 A 51 51 PRO CB C 51 31.996 32.683 -0.687 1
1 539 . 5 1 1 A 52 52 ILE H H 52 8.530 8.203 0.327 1
1 540 . 5 1 1 A 52 52 ILE HA H 52 3.764 3.873 -0.109 1
1 550 . 5 1 1 A 52 52 ILE C C 52 179.363 177.890 1.473 1
1 551 . 5 1 1 A 52 52 ILE CA C 52 64.855 63.754 1.101 1
1 552 . 5 1 1 A 52 52 ILE CB C 52 38.109 37.447 0.662 1
1 556 . 5 1 1 A 52 52 ILE N N 52 125.501 122.684 2.817 1
1 557 . 5 1 1 A 53 53 LYS H H 53 8.603 7.928 0.675 1
1 558 . 5 1 1 A 53 53 LYS HA H 53 4.180 4.187 -0.007 1
1 567 . 5 1 1 A 53 53 LYS C C 53 177.113 178.338 -1.225 1
1 568 . 5 1 1 A 53 53 LYS CA C 53 57.816 59.217 -1.401 1
1 569 . 5 1 1 A 53 53 LYS CB C 53 31.992 32.244 -0.252 1
1 573 . 5 1 1 A 53 53 LYS N N 53 117.464 120.190 -2.726 1
1 574 . 5 1 1 A 54 54 ARG H H 54 7.479 7.544 -0.065 1
1 575 . 5 1 1 A 54 54 ARG HA H 54 4.361 4.384 -0.023 1
1 582 . 5 1 1 A 54 54 ARG C C 54 175.507 176.357 -0.850 1
1 583 . 5 1 1 A 54 54 ARG CA C 54 56.051 57.735 -1.684 1
1 584 . 5 1 1 A 54 54 ARG CB C 54 31.559 31.375 0.184 1
1 587 . 5 1 1 A 54 54 ARG N N 54 114.601 117.361 -2.760 1
1 588 . 5 1 1 A 55 55 MET H H 55 7.479 7.468 0.011 1
1 589 . 5 1 1 A 55 55 MET HA H 55 4.435 4.678 -0.243 1
1 597 . 5 1 1 A 55 55 MET C C 55 175.276 175.586 -0.310 1
1 598 . 5 1 1 A 55 55 MET CA C 55 57.365 54.282 3.083 1
1 599 . 5 1 1 A 55 55 MET CB C 55 35.142 34.258 0.884 1
1 602 . 5 1 1 A 55 55 MET N N 55 116.986 117.438 -0.452 1
1 603 . 5 1 1 A 56 56 GLN H H 56 8.958 9.168 -0.210 1
1 604 . 5 1 1 A 56 56 GLN HA H 56 4.502 4.899 -0.397 1
1 611 . 5 1 1 A 56 56 GLN C C 56 173.429 174.445 -1.016 1
1 612 . 5 1 1 A 56 56 GLN CA C 56 54.982 54.662 0.320 1
1 613 . 5 1 1 A 56 56 GLN CB C 56 32.420 30.988 1.432 1
1 615 . 5 1 1 A 56 56 GLN N N 56 124.094 123.188 0.906 1
1 617 . 5 1 1 A 57 57 LEU H H 57 8.603 8.654 -0.051 1
1 618 . 5 1 1 A 57 57 LEU HA H 57 5.190 5.005 0.185 1
1 628 . 5 1 1 A 57 57 LEU C C 57 175.421 175.554 -0.133 1
1 629 . 5 1 1 A 57 57 LEU CA C 57 53.437 53.785 -0.348 1
1 630 . 5 1 1 A 57 57 LEU CB C 57 44.367 43.130 1.237 1
1 634 . 5 1 1 A 57 57 LEU N N 57 124.534 124.121 0.413 1
1 635 . 5 1 1 A 58 58 TYR H H 58 9.319 9.059 0.260 1
1 636 . 5 1 1 A 58 58 TYR HA H 58 5.145 5.290 -0.145 1
1 643 . 5 1 1 A 58 58 TYR C C 58 174.821 174.571 0.250 1
1 644 . 5 1 1 A 58 58 TYR CA C 58 56.503 56.770 -0.267 1
1 645 . 5 1 1 A 58 58 TYR CB C 58 43.323 42.386 0.937 1
1 648 . 5 1 1 A 58 58 TYR N N 58 119.746 122.468 -2.722 1
1 649 . 5 1 1 A 59 59 TYR H H 59 8.993 9.069 -0.076 1
1 650 . 5 1 1 A 59 59 TYR HA H 59 5.173 4.922 0.251 1
1 657 . 5 1 1 A 59 59 TYR C C 59 174.980 175.210 -0.230 1
1 658 . 5 1 1 A 59 59 TYR CA C 59 55.625 57.452 -1.827 1
1 659 . 5 1 1 A 59 59 TYR CB C 59 41.981 41.664 0.317 1
1 662 . 5 1 1 A 59 59 TYR N N 59 120.286 124.595 -4.309 1
1 663 . 5 1 1 A 60 60 SER H H 60 9.320 9.059 0.261 1
1 664 . 5 1 1 A 60 60 SER HA H 60 3.668 4.082 -0.414 1
1 667 . 5 1 1 A 60 60 SER C C 60 174.893 174.359 0.534 1
1 668 . 5 1 1 A 60 60 SER CA C 60 57.815 58.839 -1.024 1
1 669 . 5 1 1 A 60 60 SER CB C 60 62.602 60.554 2.048 1
1 670 . 5 1 1 A 60 60 SER N N 60 125.263 123.246 2.017 1
1 671 . 5 1 1 A 61 61 GLY H H 61 8.649 8.540 0.109 1
1 672 . 5 1 1 A 61 61 GLY HA2 H 61 4.035 3.833 0.202 1
1 673 . 5 1 1 A 61 61 GLY HA3 H 61 3.409 3.881 -0.472 1
1 674 . 5 1 1 A 61 61 GLY C C 61 173.346 173.941 -0.595 1
1 675 . 5 1 1 A 61 61 GLY CA C 61 44.726 45.398 -0.672 1
1 676 . 5 1 1 A 62 62 ILE H H 62 8.128 8.203 -0.075 1
1 677 . 5 1 1 A 62 62 ILE HA H 62 4.304 4.169 0.135 1
1 687 . 5 1 1 A 62 62 ILE C C 62 174.950 175.128 -0.178 1
1 688 . 5 1 1 A 62 62 ILE CA C 62 59.396 60.278 -0.882 1
1 689 . 5 1 1 A 62 62 ILE CB C 62 39.110 37.576 1.534 1
1 693 . 5 1 1 A 62 62 ILE N N 62 123.077 123.782 -0.705 1
1 694 . 5 1 1 A 63 63 GLU H H 63 8.697 8.917 -0.220 1
1 695 . 5 1 1 A 63 63 GLU HA H 63 3.534 4.241 -0.707 1
1 700 . 5 1 1 A 63 63 GLU C C 63 177.156 175.275 1.881 1
1 701 . 5 1 1 A 63 63 GLU CA C 63 55.231 56.072 -0.841 1
1 702 . 5 1 1 A 63 63 GLU CB C 63 29.804 29.839 -0.035 1
1 704 . 5 1 1 A 63 63 GLU N N 63 127.682 127.761 -0.079 1
1 705 . 5 1 1 A 64 64 LEU H H 64 8.791 8.266 0.525 1
1 706 . 5 1 1 A 64 64 LEU HA H 64 3.954 4.148 -0.194 1
1 716 . 5 1 1 A 64 64 LEU C C 64 176.428 176.642 -0.214 1
1 717 . 5 1 1 A 64 64 LEU CA C 64 52.211 54.117 -1.906 1
1 718 . 5 1 1 A 64 64 LEU CB C 64 37.239 39.704 -2.465 1
1 722 . 5 1 1 A 64 64 LEU N N 64 130.005 128.787 1.218 1
1 723 . 5 1 1 A 65 65 ALA H H 65 7.369 8.235 -0.866 1
1 724 . 5 1 1 A 65 65 ALA HA H 65 4.052 4.320 -0.268 1
1 728 . 5 1 1 A 65 65 ALA C C 65 176.322 176.612 -0.290 1
1 729 . 5 1 1 A 65 65 ALA CA C 65 53.207 52.294 0.913 1
1 730 . 5 1 1 A 65 65 ALA CB C 65 20.170 20.126 0.044 1
1 731 . 5 1 1 A 65 65 ALA N N 65 124.744 127.151 -2.407 1
1 732 . 5 1 1 A 66 66 ASP H H 66 7.472 7.640 -0.168 1
1 733 . 5 1 1 A 66 66 ASP HA H 66 4.857 4.695 0.162 1
1 736 . 5 1 1 A 66 66 ASP C C 66 175.635 175.640 -0.005 1
1 737 . 5 1 1 A 66 66 ASP CA C 66 52.192 53.337 -1.145 1
1 738 . 5 1 1 A 66 66 ASP CB C 66 41.603 41.100 0.503 1
1 739 . 5 1 1 A 66 66 ASP N N 66 117.457 119.006 -1.549 1
1 740 . 5 1 1 A 67 67 ASP H H 67 8.541 8.935 -0.394 1
1 741 . 5 1 1 A 67 67 ASP HA H 67 4.209 4.429 -0.220 1
1 744 . 5 1 1 A 67 67 ASP C C 67 176.292 177.195 -0.903 1
1 745 . 5 1 1 A 67 67 ASP CA C 67 56.925 56.552 0.373 1
1 746 . 5 1 1 A 67 67 ASP CB C 67 40.835 40.613 0.222 1
1 747 . 5 1 1 A 67 67 ASP N N 67 124.544 124.924 -0.380 1
1 748 . 5 1 1 A 68 68 TYR H H 68 7.701 7.367 0.334 1
1 749 . 5 1 1 A 68 68 TYR HA H 68 4.589 4.507 0.082 1
1 756 . 5 1 1 A 68 68 TYR C C 68 175.742 176.078 -0.336 1
1 757 . 5 1 1 A 68 68 TYR CA C 68 56.622 57.953 -1.331 1
1 758 . 5 1 1 A 68 68 TYR CB C 68 37.607 38.622 -1.015 1
1 761 . 5 1 1 A 68 68 TYR N N 68 112.752 116.854 -4.102 1
1 762 . 5 1 1 A 69 69 ARG H H 69 7.182 7.422 -0.240 1
1 763 . 5 1 1 A 69 69 ARG HA H 69 4.245 4.289 -0.044 1
1 771 . 5 1 1 A 69 69 ARG C C 69 175.443 175.734 -0.291 1
1 772 . 5 1 1 A 69 69 ARG CA C 69 56.056 55.570 0.486 1
1 773 . 5 1 1 A 69 69 ARG CB C 69 31.536 30.889 0.647 1
1 776 . 5 1 1 A 69 69 ARG N N 69 122.155 122.656 -0.501 1
1 778 . 5 1 1 A 70 70 ASN H H 70 8.749 8.947 -0.198 1
1 779 . 5 1 1 A 70 70 ASN HA H 70 5.068 5.000 0.068 1
1 784 . 5 1 1 A 70 70 ASN C C 70 177.349 177.126 0.223 1
1 785 . 5 1 1 A 70 70 ASN CA C 70 52.528 53.058 -0.530 1
1 786 . 5 1 1 A 70 70 ASN CB C 70 39.856 39.232 0.624 1
1 787 . 5 1 1 A 70 70 ASN N N 70 120.300 120.657 -0.357 1
1 789 . 5 1 1 A 71 71 LEU H H 71 8.603 8.787 -0.184 1
1 790 . 5 1 1 A 71 71 LEU HA H 71 3.943 4.157 -0.214 1
1 800 . 5 1 1 A 71 71 LEU C C 71 179.470 179.064 0.406 1
1 801 . 5 1 1 A 71 71 LEU CA C 71 58.074 57.842 0.232 1
1 802 . 5 1 1 A 71 71 LEU CB C 71 39.446 41.423 -1.977 1
1 806 . 5 1 1 A 71 71 LEU N N 71 118.872 123.895 -5.023 1
1 807 . 5 1 1 A 72 72 ASN H H 72 8.561 8.659 -0.098 1
1 808 . 5 1 1 A 72 72 ASN HA H 72 4.394 4.388 0.006 1
1 813 . 5 1 1 A 72 72 ASN C C 72 178.592 177.416 1.176 1
1 814 . 5 1 1 A 72 72 ASN CA C 72 56.065 55.721 0.344 1
1 815 . 5 1 1 A 72 72 ASN CB C 72 37.663 37.273 0.390 1
1 816 . 5 1 1 A 72 72 ASN N N 72 115.744 116.705 -0.961 1
1 818 . 5 1 1 A 73 73 GLU H H 73 7.979 8.061 -0.082 1
1 819 . 5 1 1 A 73 73 GLU HA H 73 4.041 3.909 0.132 1
1 824 . 5 1 1 A 73 73 GLU C C 73 177.778 178.592 -0.814 1
1 825 . 5 1 1 A 73 73 GLU CA C 73 58.680 59.267 -0.587 1
1 826 . 5 1 1 A 73 73 GLU CB C 73 29.114 29.312 -0.198 1
1 828 . 5 1 1 A 73 73 GLU N N 73 121.014 120.186 0.828 1
1 829 . 5 1 1 A 74 74 TYR H H 74 7.500 7.556 -0.056 1
1 830 . 5 1 1 A 74 74 TYR HA H 74 4.567 4.612 -0.045 1
1 837 . 5 1 1 A 74 74 TYR C C 74 175.592 176.070 -0.478 1
1 838 . 5 1 1 A 74 74 TYR CA C 74 58.790 58.174 0.616 1
1 839 . 5 1 1 A 74 74 TYR CB C 74 39.440 38.648 0.792 1
1 842 . 5 1 1 A 74 74 TYR N N 74 115.573 116.929 -1.356 1
1 843 . 5 1 1 A 75 75 GLY H H 75 7.702 7.877 -0.175 1
1 844 . 5 1 1 A 75 75 GLY HA2 H 75 4.274 3.997 0.277 1
1 845 . 5 1 1 A 75 75 GLY HA3 H 75 3.749 4.048 -0.299 1
1 846 . 5 1 1 A 75 75 GLY C C 75 174.007 174.729 -0.722 1
1 847 . 5 1 1 A 75 75 GLY CA C 75 45.133 46.323 -1.190 1
1 848 . 5 1 1 A 75 75 GLY N N 75 105.620 108.327 -2.707 1
1 849 . 5 1 1 A 76 76 ILE H H 76 6.628 8.259 -1.631 1
1 850 . 5 1 1 A 76 76 ILE HA H 76 3.170 3.879 -0.709 1
1 860 . 5 1 1 A 76 76 ILE C C 76 174.607 174.869 -0.262 1
1 861 . 5 1 1 A 76 76 ILE CA C 76 62.037 61.439 0.598 1
1 862 . 5 1 1 A 76 76 ILE CB C 76 36.805 37.257 -0.452 1
1 866 . 5 1 1 A 76 76 ILE N N 76 120.041 122.512 -2.471 1
1 867 . 5 1 1 A 77 77 THR H H 77 8.437 8.707 -0.270 1
1 868 . 5 1 1 A 77 77 THR HA H 77 4.420 4.693 -0.273 1
1 873 . 5 1 1 A 77 77 THR C C 77 172.893 172.852 0.041 1
1 874 . 5 1 1 A 77 77 THR CA C 77 58.687 59.382 -0.695 1
1 875 . 5 1 1 A 77 77 THR CB C 77 70.917 71.080 -0.163 1
1 877 . 5 1 1 A 77 77 THR N N 77 121.014 122.433 -1.419 1
1 878 . 5 1 1 A 78 78 GLU H H 78 8.235 8.656 -0.421 1
1 879 . 5 1 1 A 78 78 GLU HA H 78 4.088 4.064 0.024 1
1 884 . 5 1 1 A 78 78 GLU C C 78 177.242 177.392 -0.150 1
1 885 . 5 1 1 A 78 78 GLU CA C 78 58.254 57.568 0.686 1
1 886 . 5 1 1 A 78 78 GLU CB C 78 29.336 30.053 -0.717 1
1 888 . 5 1 1 A 78 78 GLU N N 78 121.643 124.180 -2.537 1
1 889 . 5 1 1 A 79 79 PHE H H 79 9.152 9.478 -0.326 1
1 890 . 5 1 1 A 79 79 PHE HA H 79 4.363 4.207 0.156 1
1 895 . 5 1 1 A 79 79 PHE C C 79 176.385 175.376 1.009 1
1 896 . 5 1 1 A 79 79 PHE CA C 79 59.552 58.938 0.614 1
1 897 . 5 1 1 A 79 79 PHE CB C 79 36.282 38.083 -1.801 1
1 899 . 5 1 1 A 79 79 PHE N N 79 118.909 125.892 -6.983 1
1 900 . 5 1 1 A 80 80 SER H H 80 8.341 7.900 0.441 1
1 901 . 5 1 1 A 80 80 SER HA H 80 4.576 4.690 -0.114 1
1 904 . 5 1 1 A 80 80 SER C C 80 171.629 173.342 -1.713 1
1 905 . 5 1 1 A 80 80 SER CA C 80 61.398 58.099 3.299 1
1 906 . 5 1 1 A 80 80 SER CB C 80 64.796 63.731 1.065 1
1 907 . 5 1 1 A 80 80 SER N N 80 118.396 114.569 3.827 1
1 908 . 5 1 1 A 81 81 GLU H H 81 8.692 8.788 -0.096 1
1 909 . 5 1 1 A 81 81 GLU HA H 81 5.115 4.464 0.651 1
1 914 . 5 1 1 A 81 81 GLU C C 81 174.993 175.184 -0.191 1
1 915 . 5 1 1 A 81 81 GLU CA C 81 54.749 55.428 -0.679 1
1 916 . 5 1 1 A 81 81 GLU CB C 81 31.666 30.523 1.143 1
1 918 . 5 1 1 A 81 81 GLU N N 81 122.155 124.928 -2.773 1
1 919 . 5 1 1 A 82 82 ILE H H 82 9.335 9.157 0.178 1
1 920 . 5 1 1 A 82 82 ILE HA H 82 4.796 4.596 0.200 1
1 930 . 5 1 1 A 82 82 ILE C C 82 174.350 175.171 -0.821 1
1 931 . 5 1 1 A 82 82 ILE CA C 82 58.543 59.903 -1.360 1
1 932 . 5 1 1 A 82 82 ILE CB C 82 39.050 37.721 1.329 1
1 936 . 5 1 1 A 82 82 ILE N N 82 127.389 128.008 -0.619 1
1 937 . 5 1 1 A 83 83 VAL H H 83 9.136 8.967 0.169 1
1 938 . 5 1 1 A 83 83 VAL HA H 83 4.359 4.171 0.188 1
1 946 . 5 1 1 A 83 83 VAL C C 83 174.971 175.148 -0.177 1
1 947 . 5 1 1 A 83 83 VAL CA C 83 61.756 62.182 -0.426 1
1 948 . 5 1 1 A 83 83 VAL CB C 83 33.537 31.854 1.683 1
1 951 . 5 1 1 A 83 83 VAL N N 83 128.322 128.336 -0.014 1
1 952 . 5 1 1 A 84 84 VAL H H 84 8.019 8.450 -0.431 1
1 953 . 5 1 1 A 84 84 VAL HA H 84 4.524 4.615 -0.091 1
1 961 . 5 1 1 A 84 84 VAL C C 84 175.090 175.118 -0.028 1
1 962 . 5 1 1 A 84 84 VAL CA C 84 61.268 61.175 0.093 1
1 963 . 5 1 1 A 84 84 VAL CB C 84 32.543 31.519 1.024 1
1 966 . 5 1 1 A 84 84 VAL N N 84 125.746 128.135 -2.389 1
1 967 . 5 1 1 A 85 85 PHE H H 85 9.165 8.872 0.293 1
1 968 . 5 1 1 A 85 85 PHE HA H 85 4.795 5.104 -0.309 1
1 976 . 5 1 1 A 85 85 PHE C C 85 174.414 174.872 -0.458 1
1 977 . 5 1 1 A 85 85 PHE CA C 85 55.636 56.961 -1.325 1
1 978 . 5 1 1 A 85 85 PHE CB C 85 41.618 40.648 0.970 1
1 982 . 5 1 1 A 85 85 PHE N N 85 126.921 126.516 0.405 1
1 983 . 5 1 1 A 86 86 LEU H H 86 8.314 8.918 -0.604 1
1 984 . 5 1 1 A 86 86 LEU HA H 86 5.103 4.926 0.177 1
1 994 . 5 1 1 A 86 86 LEU C C 86 177.221 177.162 0.059 1
1 995 . 5 1 1 A 86 86 LEU CA C 86 52.667 54.295 -1.628 1
1 996 . 5 1 1 A 86 86 LEU CB C 86 42.493 42.868 -0.375 1
1 1000 . 5 1 1 A 86 86 LEU N N 86 122.166 125.207 -3.041 1
1 1001 . 5 1 1 A 87 87 LYS H H 87 9.006 8.656 0.350 1
1 1002 . 5 1 1 A 87 87 LYS HA H 87 4.276 4.472 -0.196 1
1 1011 . 5 1 1 A 87 87 LYS C C 87 176.685 176.908 -0.223 1
1 1012 . 5 1 1 A 87 87 LYS CA C 87 56.069 55.964 0.105 1
1 1013 . 5 1 1 A 87 87 LYS CB C 87 33.751 33.497 0.254 1
1 1017 . 5 1 1 A 87 87 LYS N N 87 124.552 122.360 2.192 1
1 1018 . 5 1 1 A 88 88 SER H H 88 8.640 8.658 -0.018 1
1 1019 . 5 1 1 A 88 88 SER HA H 88 4.461 4.532 -0.071 1
1 1022 . 5 1 1 A 88 88 SER C C 88 174.671 174.244 0.427 1
1 1023 . 5 1 1 A 88 88 SER CA C 88 58.244 59.577 -1.333 1
1 1024 . 5 1 1 A 88 88 SER CB C 88 63.518 62.788 0.730 1
1 1025 . 5 1 1 A 88 88 SER N N 88 118.741 116.516 2.225 1
1 1026 . 5 1 1 A 89 89 ILE H H 89 8.401 8.890 -0.489 1
1 1027 . 5 1 1 A 89 89 ILE HA H 89 4.173 5.110 -0.937 1
1 1037 . 5 1 1 A 89 89 ILE C C 89 175.828 175.422 0.406 1
1 1038 . 5 1 1 A 89 89 ILE CA C 89 61.240 59.250 1.990 1
1 1039 . 5 1 1 A 89 89 ILE CB C 89 38.930 41.033 -2.103 1
1 1043 . 5 1 1 A 89 89 ILE N N 89 122.196 121.110 1.086 1
1 1044 . 5 1 1 A 90 90 ASN H H 90 8.479 8.560 -0.081 1
1 1045 . 5 1 1 A 90 90 ASN HA H 90 4.709 4.929 -0.220 1
1 1050 . 5 1 1 A 90 90 ASN C C 90 174.971 175.288 -0.317 1
1 1051 . 5 1 1 A 90 90 ASN CA C 90 52.863 52.460 0.403 1
1 1052 . 5 1 1 A 90 90 ASN CB C 90 38.726 39.341 -0.615 1
1 1053 . 5 1 1 A 90 90 ASN N N 90 122.645 120.433 2.212 1
1 1055 . 5 1 1 A 91 91 ARG H H 91 8.340 8.446 -0.106 1
1 1056 . 5 1 1 A 91 91 ARG HA H 91 4.321 4.265 0.056 1
1 1063 . 5 1 1 A 91 91 ARG C C 91 175.850 175.909 -0.059 1
1 1064 . 5 1 1 A 91 91 ARG CA C 91 55.708 56.328 -0.620 1
1 1065 . 5 1 1 A 91 91 ARG CB C 91 30.704 30.486 0.218 1
1 1068 . 5 1 1 A 91 91 ARG N N 91 122.190 120.828 1.362 1
1 1069 . 5 1 1 A 92 92 ALA H H 92 8.310 8.267 0.043 1
1 1070 . 5 1 1 A 92 92 ALA HA H 92 4.292 4.331 -0.039 1
1 1074 . 5 1 1 A 92 92 ALA C C 92 177.456 176.889 0.567 1
1 1075 . 5 1 1 A 92 92 ALA CA C 92 52.524 52.407 0.117 1
1 1076 . 5 1 1 A 92 92 ALA CB C 92 19.254 19.688 -0.434 1
1 1077 . 5 1 1 A 92 92 ALA N N 92 125.492 125.131 0.361 1
1 1078 . 5 1 1 A 93 93 LYS H H 93 8.189 8.812 -0.623 1
1 1079 . 5 1 1 A 93 93 LYS HA H 93 4.318 5.014 -0.696 1
1 1088 . 5 1 1 A 93 93 LYS C C 93 175.357 173.821 1.536 1
1 1089 . 5 1 1 A 93 93 LYS CA C 93 56.059 54.655 1.404 1
1 1090 . 5 1 1 A 93 93 LYS CB C 93 33.101 36.154 -3.053 1
1 1094 . 5 1 1 A 93 93 LYS N N 93 120.307 115.150 5.157 1
1 1 . 6 1 1 A 11 11 ALA HA H 11 4.252 3.622 0.630 1
1 5 . 6 1 1 A 11 11 ALA CA C 11 52.471 52.910 -0.439 1
1 6 . 6 1 1 A 11 11 ALA CB C 11 19.020 17.698 1.322 1
1 7 . 6 1 1 A 12 12 ALA H H 12 8.179 7.559 0.620 1
1 8 . 6 1 1 A 12 12 ALA HA H 12 4.291 4.344 -0.053 1
1 12 . 6 1 1 A 12 12 ALA C C 12 177.662 177.012 0.650 1
1 13 . 6 1 1 A 12 12 ALA CA C 12 52.444 51.728 0.716 1
1 14 . 6 1 1 A 12 12 ALA CB C 12 18.943 20.726 -1.783 1
1 15 . 6 1 1 A 12 12 ALA N N 12 123.114 119.298 3.816 1
1 16 . 6 1 1 A 13 13 VAL H H 13 8.006 8.229 -0.223 1
1 17 . 6 1 1 A 13 13 VAL HA H 13 4.100 4.076 0.024 1
1 25 . 6 1 1 A 13 13 VAL C C 13 175.990 175.295 0.695 1
1 26 . 6 1 1 A 13 13 VAL CA C 13 62.182 62.538 -0.356 1
1 27 . 6 1 1 A 13 13 VAL CB C 13 32.442 32.975 -0.533 1
1 29 . 6 1 1 A 13 13 VAL N N 13 119.213 118.684 0.529 1
1 30 . 6 1 1 A 14 14 ARG H H 14 8.329 8.454 -0.125 1
1 31 . 6 1 1 A 14 14 ARG HA H 14 4.344 4.601 -0.257 1
1 38 . 6 1 1 A 14 14 ARG C C 14 175.844 175.975 -0.131 1
1 39 . 6 1 1 A 14 14 ARG CA C 14 56.071 54.944 1.127 1
1 40 . 6 1 1 A 14 14 ARG CB C 14 31.099 32.162 -1.063 1
1 43 . 6 1 1 A 14 14 ARG N N 14 125.039 127.849 -2.810 1
1 44 . 6 1 1 A 15 15 LYS H H 15 8.147 8.370 -0.223 1
1 45 . 6 1 1 A 15 15 LYS HA H 15 4.552 4.302 0.250 1
1 54 . 6 1 1 A 15 15 LYS C C 15 176.186 177.031 -0.845 1
1 55 . 6 1 1 A 15 15 LYS CA C 15 55.632 56.912 -1.280 1
1 56 . 6 1 1 A 15 15 LYS CB C 15 33.543 32.955 0.588 1
1 60 . 6 1 1 A 15 15 LYS N N 15 121.711 122.720 -1.009 1
1 61 . 6 1 1 A 16 16 ILE H H 16 8.764 8.682 0.082 1
1 62 . 6 1 1 A 16 16 ILE HA H 16 4.508 4.733 -0.225 1
1 72 . 6 1 1 A 16 16 ILE C C 16 174.333 174.968 -0.635 1
1 73 . 6 1 1 A 16 16 ILE CA C 16 59.343 59.625 -0.282 1
1 74 . 6 1 1 A 16 16 ILE CB C 16 41.575 39.454 2.121 1
1 78 . 6 1 1 A 16 16 ILE N N 16 116.484 120.222 -3.738 1
1 79 . 6 1 1 A 17 17 HIS H H 17 8.659 8.649 0.010 1
1 80 . 6 1 1 A 17 17 HIS HA H 17 5.130 5.121 0.009 1
1 85 . 6 1 1 A 17 17 HIS C C 17 174.788 175.356 -0.568 1
1 86 . 6 1 1 A 17 17 HIS CA C 17 55.562 54.985 0.577 1
1 87 . 6 1 1 A 17 17 HIS CB C 17 30.047 29.559 0.488 1
1 90 . 6 1 1 A 17 17 HIS N N 17 119.826 122.954 -3.128 1
1 93 . 6 1 1 A 18 18 VAL H H 18 8.788 8.522 0.266 1
1 94 . 6 1 1 A 18 18 VAL HA H 18 4.681 4.572 0.109 1
1 102 . 6 1 1 A 18 18 VAL C C 18 174.631 175.050 -0.419 1
1 103 . 6 1 1 A 18 18 VAL CA C 18 59.568 60.883 -1.315 1
1 104 . 6 1 1 A 18 18 VAL CB C 18 34.191 33.156 1.035 1
1 107 . 6 1 1 A 18 18 VAL N N 18 117.203 120.473 -3.270 1
1 108 . 6 1 1 A 19 19 THR H H 19 8.746 8.730 0.016 1
1 109 . 6 1 1 A 19 19 THR HA H 19 4.603 4.565 0.038 1
1 114 . 6 1 1 A 19 19 THR C C 19 172.422 173.853 -1.431 1
1 115 . 6 1 1 A 19 19 THR CA C 19 62.159 61.911 0.248 1
1 116 . 6 1 1 A 19 19 THR CB C 19 69.640 68.982 0.658 1
1 118 . 6 1 1 A 19 19 THR N N 19 121.216 120.882 0.334 1
1 119 . 6 1 1 A 20 20 VAL H H 20 9.268 9.097 0.171 1
1 120 . 6 1 1 A 20 20 VAL HA H 20 4.426 4.353 0.073 1
1 128 . 6 1 1 A 20 20 VAL C C 20 174.013 174.745 -0.732 1
1 129 . 6 1 1 A 20 20 VAL CA C 20 61.312 61.526 -0.214 1
1 130 . 6 1 1 A 20 20 VAL CB C 20 31.567 31.875 -0.308 1
1 133 . 6 1 1 A 20 20 VAL N N 20 128.437 127.760 0.677 1
1 134 . 6 1 1 A 21 21 LYS H H 21 9.147 9.007 0.140 1
1 135 . 6 1 1 A 21 21 LYS HA H 21 4.759 4.744 0.015 1
1 144 . 6 1 1 A 21 21 LYS C C 21 175.935 175.069 0.866 1
1 145 . 6 1 1 A 21 21 LYS CA C 21 55.384 55.127 0.257 1
1 146 . 6 1 1 A 21 21 LYS CB C 21 34.197 32.998 1.199 1
1 150 . 6 1 1 A 21 21 LYS N N 21 126.951 127.403 -0.452 1
1 151 . 6 1 1 A 22 22 PHE H H 22 8.938 8.819 0.119 1
1 152 . 6 1 1 A 22 22 PHE HA H 22 4.846 4.730 0.116 1
1 158 . 6 1 1 A 22 22 PHE C C 22 174.843 175.760 -0.917 1
1 159 . 6 1 1 A 22 22 PHE CA C 22 56.918 55.974 0.944 1
1 160 . 6 1 1 A 22 22 PHE CB C 22 39.021 40.379 -1.358 1
1 163 . 6 1 1 A 22 22 PHE N N 22 127.843 123.636 4.207 1
1 164 . 6 1 1 A 23 23 PRO HA H 23 4.192 4.326 -0.134 1
1 171 . 6 1 1 A 23 23 PRO C C 23 177.813 178.696 -0.883 1
1 172 . 6 1 1 A 23 23 PRO CA C 23 66.150 65.169 0.981 1
1 173 . 6 1 1 A 23 23 PRO CB C 23 31.588 31.940 -0.352 1
1 176 . 6 1 1 A 24 24 SER H H 24 8.115 8.615 -0.500 1
1 177 . 6 1 1 A 24 24 SER HA H 24 4.772 4.329 0.443 1
1 180 . 6 1 1 A 24 24 SER C C 24 173.836 174.960 -1.124 1
1 181 . 6 1 1 A 24 24 SER CA C 24 56.928 61.367 -4.439 1
1 182 . 6 1 1 A 24 24 SER CB C 24 64.789 63.688 1.101 1
1 183 . 6 1 1 A 24 24 SER N N 24 106.127 114.052 -7.925 1
1 184 . 6 1 1 A 25 25 LYS H H 25 7.321 7.801 -0.480 1
1 185 . 6 1 1 A 25 25 LYS HA H 25 4.739 4.767 -0.028 1
1 194 . 6 1 1 A 25 25 LYS C C 25 172.915 174.035 -1.120 1
1 195 . 6 1 1 A 25 25 LYS CA C 25 55.863 55.170 0.693 1
1 196 . 6 1 1 A 25 25 LYS CB C 25 34.621 35.482 -0.861 1
1 200 . 6 1 1 A 25 25 LYS N N 25 118.386 114.703 3.683 1
1 201 . 6 1 1 A 26 26 GLN H H 26 8.566 8.745 -0.179 1
1 202 . 6 1 1 A 26 26 GLN HA H 26 5.708 5.423 0.285 1
1 209 . 6 1 1 A 26 26 GLN C C 26 174.179 174.505 -0.326 1
1 210 . 6 1 1 A 26 26 GLN CA C 26 53.888 54.353 -0.465 1
1 211 . 6 1 1 A 26 26 GLN CB C 26 32.884 32.377 0.507 1
1 213 . 6 1 1 A 26 26 GLN N N 26 117.444 120.521 -3.077 1
1 215 . 6 1 1 A 27 27 PHE H H 27 8.564 8.537 0.027 1
1 216 . 6 1 1 A 27 27 PHE HA H 27 5.085 5.208 -0.123 1
1 224 . 6 1 1 A 27 27 PHE C C 27 173.234 172.214 1.020 1
1 225 . 6 1 1 A 27 27 PHE CA C 27 55.993 56.085 -0.092 1
1 226 . 6 1 1 A 27 27 PHE CB C 27 40.088 41.075 -0.987 1
1 230 . 6 1 1 A 27 27 PHE N N 27 117.565 121.066 -3.501 1
1 231 . 6 1 1 A 28 28 THR H H 28 8.801 8.671 0.130 1
1 232 . 6 1 1 A 28 28 THR HA H 28 5.419 5.260 0.159 1
1 237 . 6 1 1 A 28 28 THR C C 28 174.650 173.663 0.987 1
1 238 . 6 1 1 A 28 28 THR CA C 28 61.203 61.788 -0.585 1
1 239 . 6 1 1 A 28 28 THR CB C 28 70.508 70.789 -0.281 1
1 241 . 6 1 1 A 28 28 THR N N 28 115.093 115.904 -0.811 1
1 242 . 6 1 1 A 29 29 VAL H H 29 8.983 9.140 -0.157 1
1 243 . 6 1 1 A 29 29 VAL HA H 29 4.549 4.809 -0.260 1
1 251 . 6 1 1 A 29 29 VAL C C 29 173.686 174.597 -0.911 1
1 252 . 6 1 1 A 29 29 VAL CA C 29 60.118 60.343 -0.225 1
1 253 . 6 1 1 A 29 29 VAL CB C 29 35.498 35.509 -0.011 1
1 256 . 6 1 1 A 29 29 VAL N N 29 121.743 124.884 -3.141 1
1 257 . 6 1 1 A 30 30 GLU H H 30 8.460 8.628 -0.168 1
1 258 . 6 1 1 A 30 30 GLU HA H 30 4.894 4.659 0.235 1
1 263 . 6 1 1 A 30 30 GLU C C 30 175.807 176.190 -0.383 1
1 264 . 6 1 1 A 30 30 GLU CA C 30 54.922 56.154 -1.232 1
1 265 . 6 1 1 A 30 30 GLU CB C 30 31.123 30.531 0.592 1
1 267 . 6 1 1 A 30 30 GLU N N 30 125.512 127.229 -1.717 1
1 268 . 6 1 1 A 31 31 VAL H H 31 8.917 8.600 0.317 1
1 269 . 6 1 1 A 31 31 VAL HA H 31 4.634 4.721 -0.087 1
1 277 . 6 1 1 A 31 31 VAL C C 31 174.136 173.830 0.306 1
1 278 . 6 1 1 A 31 31 VAL CA C 31 58.299 58.861 -0.562 1
1 279 . 6 1 1 A 31 31 VAL CB C 31 35.067 35.378 -0.311 1
1 282 . 6 1 1 A 31 31 VAL N N 31 118.900 117.975 0.925 1
1 283 . 6 1 1 A 32 32 ASP H H 32 9.032 8.665 0.367 1
1 284 . 6 1 1 A 32 32 ASP HA H 32 4.943 4.558 0.385 1
1 287 . 6 1 1 A 32 32 ASP C C 32 177.992 177.114 0.878 1
1 288 . 6 1 1 A 32 32 ASP CA C 32 53.428 54.115 -0.687 1
1 289 . 6 1 1 A 32 32 ASP CB C 32 42.939 42.310 0.629 1
1 290 . 6 1 1 A 32 32 ASP N N 32 121.708 124.486 -2.778 1
1 291 . 6 1 1 A 33 33 ARG H H 33 8.847 8.732 0.115 1
1 292 . 6 1 1 A 33 33 ARG HA H 33 3.952 4.025 -0.073 1
1 299 . 6 1 1 A 33 33 ARG C C 33 176.257 177.215 -0.958 1
1 300 . 6 1 1 A 33 33 ARG CA C 33 59.113 58.337 0.776 1
1 301 . 6 1 1 A 33 33 ARG CB C 33 30.011 30.234 -0.223 1
1 304 . 6 1 1 A 33 33 ARG N N 33 121.873 125.444 -3.571 1
1 305 . 6 1 1 A 34 34 THR H H 34 8.058 8.160 -0.102 1
1 306 . 6 1 1 A 34 34 THR HA H 34 4.350 4.538 -0.188 1
1 311 . 6 1 1 A 34 34 THR C C 34 174.371 174.395 -0.024 1
1 312 . 6 1 1 A 34 34 THR CA C 34 60.432 61.836 -1.404 1
1 313 . 6 1 1 A 34 34 THR CB C 34 68.739 69.251 -0.512 1
1 315 . 6 1 1 A 34 34 THR N N 34 104.720 106.106 -1.386 1
1 316 . 6 1 1 A 35 35 GLU H H 35 7.473 7.662 -0.189 1
1 317 . 6 1 1 A 35 35 GLU HA H 35 4.239 4.126 0.113 1
1 322 . 6 1 1 A 35 35 GLU C C 35 176.021 175.889 0.132 1
1 323 . 6 1 1 A 35 35 GLU CA C 35 56.921 57.172 -0.251 1
1 324 . 6 1 1 A 35 35 GLU CB C 35 31.086 29.882 1.204 1
1 326 . 6 1 1 A 35 35 GLU N N 35 123.129 123.944 -0.815 1
1 327 . 6 1 1 A 36 36 THR H H 36 8.432 8.655 -0.223 1
1 328 . 6 1 1 A 36 36 THR HA H 36 4.987 4.994 -0.007 1
1 333 . 6 1 1 A 36 36 THR C C 36 175.939 176.184 -0.245 1
1 334 . 6 1 1 A 36 36 THR CA C 36 60.249 61.222 -0.973 1
1 335 . 6 1 1 A 36 36 THR CB C 36 71.783 70.793 0.990 1
1 337 . 6 1 1 A 36 36 THR N N 36 112.476 117.538 -5.062 1
1 338 . 6 1 1 A 37 37 VAL H H 37 8.087 9.096 -1.009 1
1 339 . 6 1 1 A 37 37 VAL HA H 37 3.411 3.648 -0.237 1
1 347 . 6 1 1 A 37 37 VAL C C 37 178.249 177.728 0.521 1
1 348 . 6 1 1 A 37 37 VAL CA C 37 67.397 66.540 0.857 1
1 349 . 6 1 1 A 37 37 VAL CB C 37 31.567 31.488 0.079 1
1 352 . 6 1 1 A 37 37 VAL N N 37 121.215 122.861 -1.646 1
1 353 . 6 1 1 A 38 38 SER H H 38 8.863 7.754 1.109 1
1 354 . 6 1 1 A 38 38 SER HA H 38 4.760 4.218 0.542 1
1 357 . 6 1 1 A 38 38 SER C C 38 176.814 176.771 0.043 1
1 358 . 6 1 1 A 38 38 SER CA C 38 57.746 61.602 -3.856 1
1 359 . 6 1 1 A 38 38 SER CB C 38 62.627 62.927 -0.300 1
1 360 . 6 1 1 A 38 38 SER N N 38 112.752 116.692 -3.940 1
1 361 . 6 1 1 A 39 39 SER H H 39 7.999 7.891 0.108 1
1 362 . 6 1 1 A 39 39 SER HA H 39 4.318 4.345 -0.027 1
1 365 . 6 1 1 A 39 39 SER C C 39 177.692 176.750 0.942 1
1 366 . 6 1 1 A 39 39 SER CA C 39 61.338 61.763 -0.425 1
1 367 . 6 1 1 A 39 39 SER CB C 39 62.349 63.296 -0.947 1
1 368 . 6 1 1 A 39 39 SER N N 39 117.918 117.307 0.611 1
1 369 . 6 1 1 A 40 40 LEU H H 40 8.227 8.098 0.129 1
1 370 . 6 1 1 A 40 40 LEU HA H 40 4.104 4.034 0.070 1
1 380 . 6 1 1 A 40 40 LEU C C 40 178.420 178.770 -0.350 1
1 381 . 6 1 1 A 40 40 LEU CA C 40 58.235 58.310 -0.075 1
1 382 . 6 1 1 A 40 40 LEU CB C 40 40.797 41.926 -1.129 1
1 386 . 6 1 1 A 40 40 LEU N N 40 123.592 123.204 0.388 1
1 387 . 6 1 1 A 41 41 LYS H H 41 8.470 8.013 0.457 1
1 388 . 6 1 1 A 41 41 LYS HA H 41 3.824 3.999 -0.175 1
1 397 . 6 1 1 A 41 41 LYS C C 41 178.476 178.785 -0.309 1
1 398 . 6 1 1 A 41 41 LYS CA C 41 61.313 60.260 1.053 1
1 399 . 6 1 1 A 41 41 LYS CB C 41 32.414 32.106 0.308 1
1 403 . 6 1 1 A 41 41 LYS N N 41 118.401 118.414 -0.013 1
1 404 . 6 1 1 A 42 42 ASP H H 42 7.956 8.380 -0.424 1
1 405 . 6 1 1 A 42 42 ASP HA H 42 4.447 4.338 0.109 1
1 408 . 6 1 1 A 42 42 ASP C C 42 178.806 179.085 -0.279 1
1 409 . 6 1 1 A 42 42 ASP CA C 42 57.802 57.594 0.208 1
1 410 . 6 1 1 A 42 42 ASP CB C 42 40.585 41.976 -1.391 1
1 411 . 6 1 1 A 42 42 ASP N N 42 119.295 120.282 -0.987 1
1 412 . 6 1 1 A 43 43 LYS H H 43 8.024 8.125 -0.101 1
1 413 . 6 1 1 A 43 43 LYS HA H 43 4.039 4.166 -0.127 1
1 422 . 6 1 1 A 43 43 LYS C C 43 179.941 179.566 0.375 1
1 423 . 6 1 1 A 43 43 LYS CA C 43 60.014 59.241 0.773 1
1 424 . 6 1 1 A 43 43 LYS CB C 43 32.865 32.174 0.691 1
1 428 . 6 1 1 A 43 43 LYS N N 43 119.784 117.698 2.086 1
1 429 . 6 1 1 A 44 44 ILE H H 44 8.480 7.937 0.543 1
1 430 . 6 1 1 A 44 44 ILE HA H 44 3.702 3.855 -0.153 1
1 440 . 6 1 1 A 44 44 ILE C C 44 177.328 178.584 -1.256 1
1 441 . 6 1 1 A 44 44 ILE CA C 44 65.725 65.071 0.654 1
1 442 . 6 1 1 A 44 44 ILE CB C 44 38.110 37.291 0.819 1
1 446 . 6 1 1 A 44 44 ILE N N 44 119.363 120.776 -1.413 1
1 447 . 6 1 1 A 45 45 HIS H H 45 8.635 8.370 0.265 1
1 448 . 6 1 1 A 45 45 HIS HA H 45 4.471 4.253 0.218 1
1 453 . 6 1 1 A 45 45 HIS C C 45 176.407 177.094 -0.687 1
1 454 . 6 1 1 A 45 45 HIS CA C 45 58.451 59.596 -1.145 1
1 455 . 6 1 1 A 45 45 HIS CB C 45 28.055 29.737 -1.682 1
1 458 . 6 1 1 A 45 45 HIS N N 45 118.889 119.824 -0.935 1
1 461 . 6 1 1 A 46 46 ILE H H 46 7.868 7.588 0.280 1
1 462 . 6 1 1 A 46 46 ILE HA H 46 3.571 3.672 -0.101 1
1 472 . 6 1 1 A 46 46 ILE C C 46 177.371 178.100 -0.729 1
1 473 . 6 1 1 A 46 46 ILE CA C 46 63.925 63.765 0.160 1
1 474 . 6 1 1 A 46 46 ILE CB C 46 37.704 37.399 0.305 1
1 478 . 6 1 1 A 46 46 ILE N N 46 118.414 119.328 -0.914 1
1 479 . 6 1 1 A 47 47 VAL H H 47 7.223 7.595 -0.372 1
1 480 . 6 1 1 A 47 47 VAL HA H 47 3.684 3.693 -0.009 1
1 488 . 6 1 1 A 47 47 VAL C C 47 176.706 175.577 1.129 1
1 489 . 6 1 1 A 47 47 VAL CA C 47 64.807 65.387 -0.580 1
1 490 . 6 1 1 A 47 47 VAL CB C 47 32.209 32.490 -0.281 1
1 493 . 6 1 1 A 47 47 VAL N N 47 116.982 118.390 -1.408 1
1 494 . 6 1 1 A 48 48 GLU H H 48 8.090 8.530 -0.440 1
1 495 . 6 1 1 A 48 48 GLU HA H 48 4.271 4.508 -0.237 1
1 500 . 6 1 1 A 48 48 GLU C C 48 176.042 176.479 -0.437 1
1 501 . 6 1 1 A 48 48 GLU CA C 48 55.062 54.287 0.775 1
1 502 . 6 1 1 A 48 48 GLU CB C 48 31.544 31.273 0.271 1
1 504 . 6 1 1 A 48 48 GLU N N 48 118.849 118.966 -0.117 1
1 505 . 6 1 1 A 49 49 ASN H H 49 8.113 8.767 -0.654 1
1 506 . 6 1 1 A 49 49 ASN HA H 49 4.137 4.646 -0.509 1
1 511 . 6 1 1 A 49 49 ASN C C 49 174.993 175.478 -0.485 1
1 512 . 6 1 1 A 49 49 ASN CA C 49 54.287 52.719 1.568 1
1 513 . 6 1 1 A 49 49 ASN CB C 49 37.647 37.783 -0.136 1
1 514 . 6 1 1 A 49 49 ASN N N 49 118.695 118.389 0.306 1
1 516 . 6 1 1 A 50 50 THR H H 50 7.780 7.557 0.223 1
1 517 . 6 1 1 A 50 50 THR HA H 50 4.483 4.463 0.020 1
1 522 . 6 1 1 A 50 50 THR C C 50 173.107 172.874 0.233 1
1 523 . 6 1 1 A 50 50 THR CA C 50 61.094 60.782 0.312 1
1 524 . 6 1 1 A 50 50 THR CB C 50 70.926 69.439 1.487 1
1 526 . 6 1 1 A 50 50 THR N N 50 118.434 117.609 0.825 1
1 527 . 6 1 1 A 51 51 PRO HA H 51 4.485 4.621 -0.136 1
1 534 . 6 1 1 A 51 51 PRO C C 51 178.067 177.888 0.179 1
1 535 . 6 1 1 A 51 51 PRO CA C 51 63.075 63.160 -0.085 1
1 536 . 6 1 1 A 51 51 PRO CB C 51 31.996 32.473 -0.477 1
1 539 . 6 1 1 A 52 52 ILE H H 52 8.530 8.294 0.236 1
1 540 . 6 1 1 A 52 52 ILE HA H 52 3.764 3.854 -0.090 1
1 550 . 6 1 1 A 52 52 ILE C C 52 179.363 177.933 1.430 1
1 551 . 6 1 1 A 52 52 ILE CA C 52 64.855 63.856 0.999 1
1 552 . 6 1 1 A 52 52 ILE CB C 52 38.109 37.789 0.320 1
1 556 . 6 1 1 A 52 52 ILE N N 52 125.501 123.026 2.475 1
1 557 . 6 1 1 A 53 53 LYS H H 53 8.603 7.844 0.759 1
1 558 . 6 1 1 A 53 53 LYS HA H 53 4.180 4.193 -0.013 1
1 567 . 6 1 1 A 53 53 LYS C C 53 177.113 177.323 -0.210 1
1 568 . 6 1 1 A 53 53 LYS CA C 53 57.816 58.846 -1.030 1
1 569 . 6 1 1 A 53 53 LYS CB C 53 31.992 32.300 -0.308 1
1 573 . 6 1 1 A 53 53 LYS N N 53 117.464 119.641 -2.177 1
1 574 . 6 1 1 A 54 54 ARG H H 54 7.479 7.450 0.029 1
1 575 . 6 1 1 A 54 54 ARG HA H 54 4.361 4.434 -0.073 1
1 582 . 6 1 1 A 54 54 ARG C C 54 175.507 176.084 -0.577 1
1 583 . 6 1 1 A 54 54 ARG CA C 54 56.051 56.392 -0.341 1
1 584 . 6 1 1 A 54 54 ARG CB C 54 31.559 31.930 -0.371 1
1 587 . 6 1 1 A 54 54 ARG N N 54 114.601 116.934 -2.333 1
1 588 . 6 1 1 A 55 55 MET H H 55 7.479 7.616 -0.137 1
1 589 . 6 1 1 A 55 55 MET HA H 55 4.435 4.683 -0.248 1
1 597 . 6 1 1 A 55 55 MET C C 55 175.276 175.258 0.018 1
1 598 . 6 1 1 A 55 55 MET CA C 55 57.365 54.431 2.934 1
1 599 . 6 1 1 A 55 55 MET CB C 55 35.142 33.449 1.693 1
1 602 . 6 1 1 A 55 55 MET N N 55 116.986 117.499 -0.513 1
1 603 . 6 1 1 A 56 56 GLN H H 56 8.958 8.959 -0.001 1
1 604 . 6 1 1 A 56 56 GLN HA H 56 4.502 5.041 -0.539 1
1 611 . 6 1 1 A 56 56 GLN C C 56 173.429 174.691 -1.262 1
1 612 . 6 1 1 A 56 56 GLN CA C 56 54.982 54.581 0.401 1
1 613 . 6 1 1 A 56 56 GLN CB C 56 32.420 31.497 0.923 1
1 615 . 6 1 1 A 56 56 GLN N N 56 124.094 125.164 -1.070 1
1 617 . 6 1 1 A 57 57 LEU H H 57 8.603 8.810 -0.207 1
1 618 . 6 1 1 A 57 57 LEU HA H 57 5.190 5.018 0.172 1
1 628 . 6 1 1 A 57 57 LEU C C 57 175.421 175.819 -0.398 1
1 629 . 6 1 1 A 57 57 LEU CA C 57 53.437 53.898 -0.461 1
1 630 . 6 1 1 A 57 57 LEU CB C 57 44.367 43.313 1.054 1
1 634 . 6 1 1 A 57 57 LEU N N 57 124.534 126.839 -2.305 1
1 635 . 6 1 1 A 58 58 TYR H H 58 9.319 9.462 -0.143 1
1 636 . 6 1 1 A 58 58 TYR HA H 58 5.145 5.342 -0.197 1
1 643 . 6 1 1 A 58 58 TYR C C 58 174.821 174.244 0.577 1
1 644 . 6 1 1 A 58 58 TYR CA C 58 56.503 56.348 0.155 1
1 645 . 6 1 1 A 58 58 TYR CB C 58 43.323 41.795 1.528 1
1 648 . 6 1 1 A 58 58 TYR N N 58 119.746 123.251 -3.505 1
1 649 . 6 1 1 A 59 59 TYR H H 59 8.993 9.525 -0.532 1
1 650 . 6 1 1 A 59 59 TYR HA H 59 5.173 4.973 0.200 1
1 657 . 6 1 1 A 59 59 TYR C C 59 174.980 175.413 -0.433 1
1 658 . 6 1 1 A 59 59 TYR CA C 59 55.625 57.248 -1.623 1
1 659 . 6 1 1 A 59 59 TYR CB C 59 41.981 41.433 0.548 1
1 662 . 6 1 1 A 59 59 TYR N N 59 120.286 125.073 -4.787 1
1 663 . 6 1 1 A 60 60 SER H H 60 9.320 8.882 0.438 1
1 664 . 6 1 1 A 60 60 SER HA H 60 3.668 4.125 -0.457 1
1 667 . 6 1 1 A 60 60 SER C C 60 174.893 174.322 0.571 1
1 668 . 6 1 1 A 60 60 SER CA C 60 57.815 60.073 -2.258 1
1 669 . 6 1 1 A 60 60 SER CB C 60 62.602 62.506 0.096 1
1 670 . 6 1 1 A 60 60 SER N N 60 125.263 124.303 0.960 1
1 671 . 6 1 1 A 61 61 GLY H H 61 8.649 8.091 0.558 1
1 672 . 6 1 1 A 61 61 GLY HA2 H 61 4.035 4.087 -0.052 1
1 673 . 6 1 1 A 61 61 GLY HA3 H 61 3.409 4.123 -0.714 1
1 674 . 6 1 1 A 61 61 GLY C C 61 173.346 173.519 -0.173 1
1 675 . 6 1 1 A 61 61 GLY CA C 61 44.726 45.568 -0.842 1
1 676 . 6 1 1 A 62 62 ILE H H 62 8.128 7.737 0.391 1
1 677 . 6 1 1 A 62 62 ILE HA H 62 4.304 4.570 -0.266 1
1 687 . 6 1 1 A 62 62 ILE C C 62 174.950 174.795 0.155 1
1 688 . 6 1 1 A 62 62 ILE CA C 62 59.396 60.101 -0.705 1
1 689 . 6 1 1 A 62 62 ILE CB C 62 39.110 40.498 -1.388 1
1 693 . 6 1 1 A 62 62 ILE N N 62 123.077 120.658 2.419 1
1 694 . 6 1 1 A 63 63 GLU H H 63 8.697 8.574 0.123 1
1 695 . 6 1 1 A 63 63 GLU HA H 63 3.534 4.182 -0.648 1
1 700 . 6 1 1 A 63 63 GLU C C 63 177.156 175.863 1.293 1
1 701 . 6 1 1 A 63 63 GLU CA C 63 55.231 55.504 -0.273 1
1 702 . 6 1 1 A 63 63 GLU CB C 63 29.804 29.989 -0.185 1
1 704 . 6 1 1 A 63 63 GLU N N 63 127.682 126.146 1.536 1
1 705 . 6 1 1 A 64 64 LEU H H 64 8.791 8.798 -0.007 1
1 706 . 6 1 1 A 64 64 LEU HA H 64 3.954 4.149 -0.195 1
1 716 . 6 1 1 A 64 64 LEU C C 64 176.428 176.666 -0.238 1
1 717 . 6 1 1 A 64 64 LEU CA C 64 52.211 54.188 -1.977 1
1 718 . 6 1 1 A 64 64 LEU CB C 64 37.239 39.669 -2.430 1
1 722 . 6 1 1 A 64 64 LEU N N 64 130.005 125.173 4.832 1
1 723 . 6 1 1 A 65 65 ALA H H 65 7.369 8.309 -0.940 1
1 724 . 6 1 1 A 65 65 ALA HA H 65 4.052 4.240 -0.188 1
1 728 . 6 1 1 A 65 65 ALA C C 65 176.322 177.888 -1.566 1
1 729 . 6 1 1 A 65 65 ALA CA C 65 53.207 54.687 -1.480 1
1 730 . 6 1 1 A 65 65 ALA CB C 65 20.170 18.951 1.219 1
1 731 . 6 1 1 A 65 65 ALA N N 65 124.744 126.876 -2.132 1
1 732 . 6 1 1 A 66 66 ASP H H 66 7.472 7.308 0.164 1
1 733 . 6 1 1 A 66 66 ASP HA H 66 4.857 4.511 0.346 1
1 736 . 6 1 1 A 66 66 ASP C C 66 175.635 175.741 -0.106 1
1 737 . 6 1 1 A 66 66 ASP CA C 66 52.192 54.472 -2.280 1
1 738 . 6 1 1 A 66 66 ASP CB C 66 41.603 41.138 0.465 1
1 739 . 6 1 1 A 66 66 ASP N N 66 117.457 118.106 -0.649 1
1 740 . 6 1 1 A 67 67 ASP H H 67 8.541 9.413 -0.872 1
1 741 . 6 1 1 A 67 67 ASP HA H 67 4.209 4.587 -0.378 1
1 744 . 6 1 1 A 67 67 ASP C C 67 176.292 177.096 -0.804 1
1 745 . 6 1 1 A 67 67 ASP CA C 67 56.925 56.092 0.833 1
1 746 . 6 1 1 A 67 67 ASP CB C 67 40.835 41.171 -0.336 1
1 747 . 6 1 1 A 67 67 ASP N N 67 124.544 124.770 -0.226 1
1 748 . 6 1 1 A 68 68 TYR H H 68 7.701 7.708 -0.007 1
1 749 . 6 1 1 A 68 68 TYR HA H 68 4.589 4.500 0.089 1
1 756 . 6 1 1 A 68 68 TYR C C 68 175.742 175.883 -0.141 1
1 757 . 6 1 1 A 68 68 TYR CA C 68 56.622 57.950 -1.328 1
1 758 . 6 1 1 A 68 68 TYR CB C 68 37.607 38.533 -0.926 1
1 761 . 6 1 1 A 68 68 TYR N N 68 112.752 115.260 -2.508 1
1 762 . 6 1 1 A 69 69 ARG H H 69 7.182 7.485 -0.303 1
1 763 . 6 1 1 A 69 69 ARG HA H 69 4.245 4.551 -0.306 1
1 771 . 6 1 1 A 69 69 ARG C C 69 175.443 175.671 -0.228 1
1 772 . 6 1 1 A 69 69 ARG CA C 69 56.056 54.715 1.341 1
1 773 . 6 1 1 A 69 69 ARG CB C 69 31.536 31.191 0.345 1
1 776 . 6 1 1 A 69 69 ARG N N 69 122.155 121.906 0.249 1
1 778 . 6 1 1 A 70 70 ASN H H 70 8.749 8.857 -0.108 1
1 779 . 6 1 1 A 70 70 ASN HA H 70 5.068 5.130 -0.062 1
1 784 . 6 1 1 A 70 70 ASN C C 70 177.349 176.875 0.474 1
1 785 . 6 1 1 A 70 70 ASN CA C 70 52.528 51.965 0.563 1
1 786 . 6 1 1 A 70 70 ASN CB C 70 39.856 39.876 -0.020 1
1 787 . 6 1 1 A 70 70 ASN N N 70 120.300 119.089 1.211 1
1 789 . 6 1 1 A 71 71 LEU H H 71 8.603 9.064 -0.461 1
1 790 . 6 1 1 A 71 71 LEU HA H 71 3.943 4.088 -0.145 1
1 800 . 6 1 1 A 71 71 LEU C C 71 179.470 179.048 0.422 1
1 801 . 6 1 1 A 71 71 LEU CA C 71 58.074 57.678 0.396 1
1 802 . 6 1 1 A 71 71 LEU CB C 71 39.446 41.409 -1.963 1
1 806 . 6 1 1 A 71 71 LEU N N 71 118.872 123.869 -4.997 1
1 807 . 6 1 1 A 72 72 ASN H H 72 8.561 8.400 0.161 1
1 808 . 6 1 1 A 72 72 ASN HA H 72 4.394 4.386 0.008 1
1 813 . 6 1 1 A 72 72 ASN C C 72 178.592 177.203 1.389 1
1 814 . 6 1 1 A 72 72 ASN CA C 72 56.065 55.702 0.363 1
1 815 . 6 1 1 A 72 72 ASN CB C 72 37.663 37.274 0.389 1
1 816 . 6 1 1 A 72 72 ASN N N 72 115.744 117.012 -1.268 1
1 818 . 6 1 1 A 73 73 GLU H H 73 7.979 7.974 0.005 1
1 819 . 6 1 1 A 73 73 GLU HA H 73 4.041 3.949 0.092 1
1 824 . 6 1 1 A 73 73 GLU C C 73 177.778 177.586 0.192 1
1 825 . 6 1 1 A 73 73 GLU CA C 73 58.680 58.977 -0.297 1
1 826 . 6 1 1 A 73 73 GLU CB C 73 29.114 29.122 -0.008 1
1 828 . 6 1 1 A 73 73 GLU N N 73 121.014 119.954 1.060 1
1 829 . 6 1 1 A 74 74 TYR H H 74 7.500 7.366 0.134 1
1 830 . 6 1 1 A 74 74 TYR HA H 74 4.567 4.626 -0.059 1
1 837 . 6 1 1 A 74 74 TYR C C 74 175.592 175.969 -0.377 1
1 838 . 6 1 1 A 74 74 TYR CA C 74 58.790 57.828 0.962 1
1 839 . 6 1 1 A 74 74 TYR CB C 74 39.440 38.791 0.649 1
1 842 . 6 1 1 A 74 74 TYR N N 74 115.573 116.407 -0.834 1
1 843 . 6 1 1 A 75 75 GLY H H 75 7.702 8.034 -0.332 1
1 844 . 6 1 1 A 75 75 GLY HA2 H 75 4.274 4.021 0.253 1
1 845 . 6 1 1 A 75 75 GLY HA3 H 75 3.749 4.069 -0.320 1
1 846 . 6 1 1 A 75 75 GLY C C 75 174.007 174.916 -0.909 1
1 847 . 6 1 1 A 75 75 GLY CA C 75 45.133 46.637 -1.504 1
1 848 . 6 1 1 A 75 75 GLY N N 75 105.620 109.436 -3.816 1
1 849 . 6 1 1 A 76 76 ILE H H 76 6.628 7.804 -1.176 1
1 850 . 6 1 1 A 76 76 ILE HA H 76 3.170 4.087 -0.917 1
1 860 . 6 1 1 A 76 76 ILE C C 76 174.607 175.041 -0.434 1
1 861 . 6 1 1 A 76 76 ILE CA C 76 62.037 61.301 0.736 1
1 862 . 6 1 1 A 76 76 ILE CB C 76 36.805 37.336 -0.531 1
1 866 . 6 1 1 A 76 76 ILE N N 76 120.041 122.004 -1.963 1
1 867 . 6 1 1 A 77 77 THR H H 77 8.437 8.280 0.157 1
1 868 . 6 1 1 A 77 77 THR HA H 77 4.420 4.707 -0.287 1
1 873 . 6 1 1 A 77 77 THR C C 77 172.893 173.040 -0.147 1
1 874 . 6 1 1 A 77 77 THR CA C 77 58.687 59.569 -0.882 1
1 875 . 6 1 1 A 77 77 THR CB C 77 70.917 71.178 -0.261 1
1 877 . 6 1 1 A 77 77 THR N N 77 121.014 122.370 -1.356 1
1 878 . 6 1 1 A 78 78 GLU H H 78 8.235 8.633 -0.398 1
1 879 . 6 1 1 A 78 78 GLU HA H 78 4.088 4.371 -0.283 1
1 884 . 6 1 1 A 78 78 GLU C C 78 177.242 177.289 -0.047 1
1 885 . 6 1 1 A 78 78 GLU CA C 78 58.254 56.442 1.812 1
1 886 . 6 1 1 A 78 78 GLU CB C 78 29.336 30.593 -1.257 1
1 888 . 6 1 1 A 78 78 GLU N N 78 121.643 124.166 -2.523 1
1 889 . 6 1 1 A 79 79 PHE H H 79 9.152 9.293 -0.141 1
1 890 . 6 1 1 A 79 79 PHE HA H 79 4.363 4.321 0.042 1
1 895 . 6 1 1 A 79 79 PHE C C 79 176.385 175.345 1.040 1
1 896 . 6 1 1 A 79 79 PHE CA C 79 59.552 59.035 0.517 1
1 897 . 6 1 1 A 79 79 PHE CB C 79 36.282 38.025 -1.743 1
1 899 . 6 1 1 A 79 79 PHE N N 79 118.909 125.809 -6.900 1
1 900 . 6 1 1 A 80 80 SER H H 80 8.341 7.928 0.413 1
1 901 . 6 1 1 A 80 80 SER HA H 80 4.576 4.648 -0.072 1
1 904 . 6 1 1 A 80 80 SER C C 80 171.629 173.532 -1.903 1
1 905 . 6 1 1 A 80 80 SER CA C 80 61.398 58.489 2.909 1
1 906 . 6 1 1 A 80 80 SER CB C 80 64.796 64.060 0.736 1
1 907 . 6 1 1 A 80 80 SER N N 80 118.396 114.679 3.717 1
1 908 . 6 1 1 A 81 81 GLU H H 81 8.692 8.810 -0.118 1
1 909 . 6 1 1 A 81 81 GLU HA H 81 5.115 4.424 0.691 1
1 914 . 6 1 1 A 81 81 GLU C C 81 174.993 175.124 -0.131 1
1 915 . 6 1 1 A 81 81 GLU CA C 81 54.749 55.702 -0.953 1
1 916 . 6 1 1 A 81 81 GLU CB C 81 31.666 29.875 1.791 1
1 918 . 6 1 1 A 81 81 GLU N N 81 122.155 124.909 -2.754 1
1 919 . 6 1 1 A 82 82 ILE H H 82 9.335 9.015 0.320 1
1 920 . 6 1 1 A 82 82 ILE HA H 82 4.796 4.530 0.266 1
1 930 . 6 1 1 A 82 82 ILE C C 82 174.350 175.247 -0.897 1
1 931 . 6 1 1 A 82 82 ILE CA C 82 58.543 59.910 -1.367 1
1 932 . 6 1 1 A 82 82 ILE CB C 82 39.050 37.434 1.616 1
1 936 . 6 1 1 A 82 82 ILE N N 82 127.389 127.594 -0.205 1
1 937 . 6 1 1 A 83 83 VAL H H 83 9.136 8.950 0.186 1
1 938 . 6 1 1 A 83 83 VAL HA H 83 4.359 4.275 0.084 1
1 946 . 6 1 1 A 83 83 VAL C C 83 174.971 175.068 -0.097 1
1 947 . 6 1 1 A 83 83 VAL CA C 83 61.756 62.160 -0.404 1
1 948 . 6 1 1 A 83 83 VAL CB C 83 33.537 31.814 1.723 1
1 951 . 6 1 1 A 83 83 VAL N N 83 128.322 128.393 -0.071 1
1 952 . 6 1 1 A 84 84 VAL H H 84 8.019 8.946 -0.927 1
1 953 . 6 1 1 A 84 84 VAL HA H 84 4.524 4.744 -0.220 1
1 961 . 6 1 1 A 84 84 VAL C C 84 175.090 175.103 -0.013 1
1 962 . 6 1 1 A 84 84 VAL CA C 84 61.268 61.282 -0.014 1
1 963 . 6 1 1 A 84 84 VAL CB C 84 32.543 31.128 1.415 1
1 966 . 6 1 1 A 84 84 VAL N N 84 125.746 128.228 -2.482 1
1 967 . 6 1 1 A 85 85 PHE H H 85 9.165 9.116 0.049 1
1 968 . 6 1 1 A 85 85 PHE HA H 85 4.795 4.960 -0.165 1
1 976 . 6 1 1 A 85 85 PHE C C 85 174.414 174.996 -0.582 1
1 977 . 6 1 1 A 85 85 PHE CA C 85 55.636 57.379 -1.743 1
1 978 . 6 1 1 A 85 85 PHE CB C 85 41.618 40.119 1.499 1
1 982 . 6 1 1 A 85 85 PHE N N 85 126.921 127.163 -0.242 1
1 983 . 6 1 1 A 86 86 LEU H H 86 8.314 8.906 -0.592 1
1 984 . 6 1 1 A 86 86 LEU HA H 86 5.103 4.476 0.627 1
1 994 . 6 1 1 A 86 86 LEU C C 86 177.221 176.916 0.305 1
1 995 . 6 1 1 A 86 86 LEU CA C 86 52.667 54.575 -1.908 1
1 996 . 6 1 1 A 86 86 LEU CB C 86 42.493 41.662 0.831 1
1 1000 . 6 1 1 A 86 86 LEU N N 86 122.166 126.029 -3.863 1
1 1001 . 6 1 1 A 87 87 LYS H H 87 9.006 9.375 -0.369 1
1 1002 . 6 1 1 A 87 87 LYS HA H 87 4.276 4.371 -0.095 1
1 1011 . 6 1 1 A 87 87 LYS C C 87 176.685 176.381 0.304 1
1 1012 . 6 1 1 A 87 87 LYS CA C 87 56.069 56.745 -0.676 1
1 1013 . 6 1 1 A 87 87 LYS CB C 87 33.751 32.839 0.912 1
1 1017 . 6 1 1 A 87 87 LYS N N 87 124.552 125.517 -0.965 1
1 1018 . 6 1 1 A 88 88 SER H H 88 8.640 7.720 0.920 1
1 1019 . 6 1 1 A 88 88 SER HA H 88 4.461 4.792 -0.331 1
1 1022 . 6 1 1 A 88 88 SER C C 88 174.671 173.640 1.031 1
1 1023 . 6 1 1 A 88 88 SER CA C 88 58.244 56.935 1.309 1
1 1024 . 6 1 1 A 88 88 SER CB C 88 63.518 65.447 -1.929 1
1 1025 . 6 1 1 A 88 88 SER N N 88 118.741 114.294 4.447 1
1 1026 . 6 1 1 A 89 89 ILE H H 89 8.401 8.646 -0.245 1
1 1027 . 6 1 1 A 89 89 ILE HA H 89 4.173 4.396 -0.223 1
1 1037 . 6 1 1 A 89 89 ILE C C 89 175.828 176.237 -0.409 1
1 1038 . 6 1 1 A 89 89 ILE CA C 89 61.240 60.576 0.664 1
1 1039 . 6 1 1 A 89 89 ILE CB C 89 38.930 38.084 0.846 1
1 1043 . 6 1 1 A 89 89 ILE N N 89 122.196 122.766 -0.570 1
1 1044 . 6 1 1 A 90 90 ASN H H 90 8.479 7.797 0.682 1
1 1045 . 6 1 1 A 90 90 ASN HA H 90 4.709 4.354 0.355 1
1 1050 . 6 1 1 A 90 90 ASN C C 90 174.971 176.312 -1.341 1
1 1051 . 6 1 1 A 90 90 ASN CA C 90 52.863 54.701 -1.838 1
1 1052 . 6 1 1 A 90 90 ASN CB C 90 38.726 38.474 0.252 1
1 1053 . 6 1 1 A 90 90 ASN N N 90 122.645 122.653 -0.008 1
1 1055 . 6 1 1 A 91 91 ARG H H 91 8.340 8.874 -0.534 1
1 1056 . 6 1 1 A 91 91 ARG HA H 91 4.321 3.929 0.392 1
1 1063 . 6 1 1 A 91 91 ARG C C 91 175.850 175.249 0.601 1
1 1064 . 6 1 1 A 91 91 ARG CA C 91 55.708 57.437 -1.729 1
1 1065 . 6 1 1 A 91 91 ARG CB C 91 30.704 27.965 2.739 1
1 1068 . 6 1 1 A 91 91 ARG N N 91 122.190 120.390 1.800 1
1 1069 . 6 1 1 A 92 92 ALA H H 92 8.310 7.422 0.888 1
1 1070 . 6 1 1 A 92 92 ALA HA H 92 4.292 4.409 -0.117 1
1 1074 . 6 1 1 A 92 92 ALA C C 92 177.456 176.220 1.236 1
1 1075 . 6 1 1 A 92 92 ALA CA C 92 52.524 51.789 0.735 1
1 1076 . 6 1 1 A 92 92 ALA CB C 92 19.254 19.229 0.025 1
1 1077 . 6 1 1 A 92 92 ALA N N 92 125.492 122.434 3.058 1
1 1078 . 6 1 1 A 93 93 LYS H H 93 8.189 8.758 -0.569 1
1 1079 . 6 1 1 A 93 93 LYS HA H 93 4.318 4.962 -0.644 1
1 1088 . 6 1 1 A 93 93 LYS C C 93 175.357 174.215 1.142 1
1 1089 . 6 1 1 A 93 93 LYS CA C 93 56.059 54.887 1.172 1
1 1090 . 6 1 1 A 93 93 LYS CB C 93 33.101 35.217 -2.116 1
1 1094 . 6 1 1 A 93 93 LYS N N 93 120.307 124.265 -3.958 1
1 1 . 7 1 1 A 11 11 ALA HA H 11 4.252 4.247 0.005 1
1 5 . 7 1 1 A 11 11 ALA CA C 11 52.471 51.065 1.406 1
1 6 . 7 1 1 A 11 11 ALA CB C 11 19.020 21.357 -2.337 1
1 7 . 7 1 1 A 12 12 ALA H H 12 8.179 8.500 -0.321 1
1 8 . 7 1 1 A 12 12 ALA HA H 12 4.291 4.303 -0.012 1
1 12 . 7 1 1 A 12 12 ALA C C 12 177.662 176.499 1.163 1
1 13 . 7 1 1 A 12 12 ALA CA C 12 52.444 51.818 0.626 1
1 14 . 7 1 1 A 12 12 ALA CB C 12 18.943 17.253 1.690 1
1 15 . 7 1 1 A 12 12 ALA N N 12 123.114 120.895 2.219 1
1 16 . 7 1 1 A 13 13 VAL H H 13 8.006 7.941 0.065 1
1 17 . 7 1 1 A 13 13 VAL HA H 13 4.100 4.524 -0.424 1
1 25 . 7 1 1 A 13 13 VAL C C 13 175.990 175.146 0.844 1
1 26 . 7 1 1 A 13 13 VAL CA C 13 62.182 61.733 0.449 1
1 27 . 7 1 1 A 13 13 VAL CB C 13 32.442 32.825 -0.383 1
1 29 . 7 1 1 A 13 13 VAL N N 13 119.213 120.324 -1.111 1
1 30 . 7 1 1 A 14 14 ARG H H 14 8.329 8.597 -0.268 1
1 31 . 7 1 1 A 14 14 ARG HA H 14 4.344 4.569 -0.225 1
1 38 . 7 1 1 A 14 14 ARG C C 14 175.844 175.263 0.581 1
1 39 . 7 1 1 A 14 14 ARG CA C 14 56.071 55.655 0.416 1
1 40 . 7 1 1 A 14 14 ARG CB C 14 31.099 30.622 0.477 1
1 43 . 7 1 1 A 14 14 ARG N N 14 125.039 127.792 -2.753 1
1 44 . 7 1 1 A 15 15 LYS H H 15 8.147 8.363 -0.216 1
1 45 . 7 1 1 A 15 15 LYS HA H 15 4.552 4.332 0.220 1
1 54 . 7 1 1 A 15 15 LYS C C 15 176.186 177.143 -0.957 1
1 55 . 7 1 1 A 15 15 LYS CA C 15 55.632 56.565 -0.933 1
1 56 . 7 1 1 A 15 15 LYS CB C 15 33.543 32.974 0.569 1
1 60 . 7 1 1 A 15 15 LYS N N 15 121.711 124.595 -2.884 1
1 61 . 7 1 1 A 16 16 ILE H H 16 8.764 8.504 0.260 1
1 62 . 7 1 1 A 16 16 ILE HA H 16 4.508 4.619 -0.111 1
1 72 . 7 1 1 A 16 16 ILE C C 16 174.333 175.387 -1.054 1
1 73 . 7 1 1 A 16 16 ILE CA C 16 59.343 59.938 -0.595 1
1 74 . 7 1 1 A 16 16 ILE CB C 16 41.575 39.020 2.555 1
1 78 . 7 1 1 A 16 16 ILE N N 16 116.484 120.916 -4.432 1
1 79 . 7 1 1 A 17 17 HIS H H 17 8.659 8.660 -0.001 1
1 80 . 7 1 1 A 17 17 HIS HA H 17 5.130 5.131 -0.001 1
1 85 . 7 1 1 A 17 17 HIS C C 17 174.788 175.581 -0.793 1
1 86 . 7 1 1 A 17 17 HIS CA C 17 55.562 55.044 0.518 1
1 87 . 7 1 1 A 17 17 HIS CB C 17 30.047 29.934 0.113 1
1 90 . 7 1 1 A 17 17 HIS N N 17 119.826 122.879 -3.053 1
1 93 . 7 1 1 A 18 18 VAL H H 18 8.788 8.894 -0.106 1
1 94 . 7 1 1 A 18 18 VAL HA H 18 4.681 4.753 -0.072 1
1 102 . 7 1 1 A 18 18 VAL C C 18 174.631 174.797 -0.166 1
1 103 . 7 1 1 A 18 18 VAL CA C 18 59.568 60.619 -1.051 1
1 104 . 7 1 1 A 18 18 VAL CB C 18 34.191 33.308 0.883 1
1 107 . 7 1 1 A 18 18 VAL N N 18 117.203 119.841 -2.638 1
1 108 . 7 1 1 A 19 19 THR H H 19 8.746 9.207 -0.461 1
1 109 . 7 1 1 A 19 19 THR HA H 19 4.603 4.780 -0.177 1
1 114 . 7 1 1 A 19 19 THR C C 19 172.422 173.792 -1.370 1
1 115 . 7 1 1 A 19 19 THR CA C 19 62.159 61.997 0.162 1
1 116 . 7 1 1 A 19 19 THR CB C 19 69.640 69.348 0.292 1
1 118 . 7 1 1 A 19 19 THR N N 19 121.216 120.298 0.918 1
1 119 . 7 1 1 A 20 20 VAL H H 20 9.268 9.229 0.039 1
1 120 . 7 1 1 A 20 20 VAL HA H 20 4.426 4.318 0.108 1
1 128 . 7 1 1 A 20 20 VAL C C 20 174.013 174.798 -0.785 1
1 129 . 7 1 1 A 20 20 VAL CA C 20 61.312 61.620 -0.308 1
1 130 . 7 1 1 A 20 20 VAL CB C 20 31.567 31.909 -0.342 1
1 133 . 7 1 1 A 20 20 VAL N N 20 128.437 128.058 0.379 1
1 134 . 7 1 1 A 21 21 LYS H H 21 9.147 9.132 0.015 1
1 135 . 7 1 1 A 21 21 LYS HA H 21 4.759 4.738 0.021 1
1 144 . 7 1 1 A 21 21 LYS C C 21 175.935 175.146 0.789 1
1 145 . 7 1 1 A 21 21 LYS CA C 21 55.384 55.093 0.291 1
1 146 . 7 1 1 A 21 21 LYS CB C 21 34.197 32.559 1.638 1
1 150 . 7 1 1 A 21 21 LYS N N 21 126.951 127.667 -0.716 1
1 151 . 7 1 1 A 22 22 PHE H H 22 8.938 8.627 0.311 1
1 152 . 7 1 1 A 22 22 PHE HA H 22 4.846 4.792 0.054 1
1 158 . 7 1 1 A 22 22 PHE C C 22 174.843 175.627 -0.784 1
1 159 . 7 1 1 A 22 22 PHE CA C 22 56.918 56.026 0.892 1
1 160 . 7 1 1 A 22 22 PHE CB C 22 39.021 40.804 -1.783 1
1 163 . 7 1 1 A 22 22 PHE N N 22 127.843 123.899 3.944 1
1 164 . 7 1 1 A 23 23 PRO HA H 23 4.192 4.318 -0.126 1
1 171 . 7 1 1 A 23 23 PRO C C 23 177.813 179.048 -1.235 1
1 172 . 7 1 1 A 23 23 PRO CA C 23 66.150 65.181 0.969 1
1 173 . 7 1 1 A 23 23 PRO CB C 23 31.588 32.022 -0.434 1
1 176 . 7 1 1 A 24 24 SER H H 24 8.115 8.715 -0.600 1
1 177 . 7 1 1 A 24 24 SER HA H 24 4.772 4.270 0.502 1
1 180 . 7 1 1 A 24 24 SER C C 24 173.836 174.768 -0.932 1
1 181 . 7 1 1 A 24 24 SER CA C 24 56.928 61.646 -4.718 1
1 182 . 7 1 1 A 24 24 SER CB C 24 64.789 63.741 1.048 1
1 183 . 7 1 1 A 24 24 SER N N 24 106.127 114.215 -8.088 1
1 184 . 7 1 1 A 25 25 LYS H H 25 7.321 7.739 -0.418 1
1 185 . 7 1 1 A 25 25 LYS HA H 25 4.739 4.723 0.016 1
1 194 . 7 1 1 A 25 25 LYS C C 25 172.915 173.848 -0.933 1
1 195 . 7 1 1 A 25 25 LYS CA C 25 55.863 55.102 0.761 1
1 196 . 7 1 1 A 25 25 LYS CB C 25 34.621 34.556 0.065 1
1 200 . 7 1 1 A 25 25 LYS N N 25 118.386 114.263 4.123 1
1 201 . 7 1 1 A 26 26 GLN H H 26 8.566 8.781 -0.215 1
1 202 . 7 1 1 A 26 26 GLN HA H 26 5.708 5.151 0.557 1
1 209 . 7 1 1 A 26 26 GLN C C 26 174.179 175.072 -0.893 1
1 210 . 7 1 1 A 26 26 GLN CA C 26 53.888 54.521 -0.633 1
1 211 . 7 1 1 A 26 26 GLN CB C 26 32.884 30.828 2.056 1
1 213 . 7 1 1 A 26 26 GLN N N 26 117.444 121.414 -3.970 1
1 215 . 7 1 1 A 27 27 PHE H H 27 8.564 8.479 0.085 1
1 216 . 7 1 1 A 27 27 PHE HA H 27 5.085 5.436 -0.351 1
1 224 . 7 1 1 A 27 27 PHE C C 27 173.234 172.502 0.732 1
1 225 . 7 1 1 A 27 27 PHE CA C 27 55.993 55.878 0.115 1
1 226 . 7 1 1 A 27 27 PHE CB C 27 40.088 42.486 -2.398 1
1 230 . 7 1 1 A 27 27 PHE N N 27 117.565 122.842 -5.277 1
1 231 . 7 1 1 A 28 28 THR H H 28 8.801 8.753 0.048 1
1 232 . 7 1 1 A 28 28 THR HA H 28 5.419 5.484 -0.065 1
1 237 . 7 1 1 A 28 28 THR C C 28 174.650 173.721 0.929 1
1 238 . 7 1 1 A 28 28 THR CA C 28 61.203 61.538 -0.335 1
1 239 . 7 1 1 A 28 28 THR CB C 28 70.508 70.950 -0.442 1
1 241 . 7 1 1 A 28 28 THR N N 28 115.093 115.673 -0.580 1
1 242 . 7 1 1 A 29 29 VAL H H 29 8.983 9.343 -0.360 1
1 243 . 7 1 1 A 29 29 VAL HA H 29 4.549 4.948 -0.399 1
1 251 . 7 1 1 A 29 29 VAL C C 29 173.686 174.635 -0.949 1
1 252 . 7 1 1 A 29 29 VAL CA C 29 60.118 60.182 -0.064 1
1 253 . 7 1 1 A 29 29 VAL CB C 29 35.498 35.715 -0.217 1
1 256 . 7 1 1 A 29 29 VAL N N 29 121.743 124.690 -2.947 1
1 257 . 7 1 1 A 30 30 GLU H H 30 8.460 8.564 -0.104 1
1 258 . 7 1 1 A 30 30 GLU HA H 30 4.894 4.793 0.101 1
1 263 . 7 1 1 A 30 30 GLU C C 30 175.807 176.220 -0.413 1
1 264 . 7 1 1 A 30 30 GLU CA C 30 54.922 56.140 -1.218 1
1 265 . 7 1 1 A 30 30 GLU CB C 30 31.123 30.610 0.513 1
1 267 . 7 1 1 A 30 30 GLU N N 30 125.512 126.560 -1.048 1
1 268 . 7 1 1 A 31 31 VAL H H 31 8.917 8.687 0.230 1
1 269 . 7 1 1 A 31 31 VAL HA H 31 4.634 4.787 -0.153 1
1 277 . 7 1 1 A 31 31 VAL C C 31 174.136 173.893 0.243 1
1 278 . 7 1 1 A 31 31 VAL CA C 31 58.299 58.692 -0.393 1
1 279 . 7 1 1 A 31 31 VAL CB C 31 35.067 35.688 -0.621 1
1 282 . 7 1 1 A 31 31 VAL N N 31 118.900 118.148 0.752 1
1 283 . 7 1 1 A 32 32 ASP H H 32 9.032 8.565 0.467 1
1 284 . 7 1 1 A 32 32 ASP HA H 32 4.943 4.635 0.308 1
1 287 . 7 1 1 A 32 32 ASP C C 32 177.992 177.070 0.922 1
1 288 . 7 1 1 A 32 32 ASP CA C 32 53.428 54.258 -0.830 1
1 289 . 7 1 1 A 32 32 ASP CB C 32 42.939 42.584 0.355 1
1 290 . 7 1 1 A 32 32 ASP N N 32 121.708 124.491 -2.783 1
1 291 . 7 1 1 A 33 33 ARG H H 33 8.847 8.744 0.103 1
1 292 . 7 1 1 A 33 33 ARG HA H 33 3.952 4.025 -0.073 1
1 299 . 7 1 1 A 33 33 ARG C C 33 176.257 177.167 -0.910 1
1 300 . 7 1 1 A 33 33 ARG CA C 33 59.113 58.248 0.865 1
1 301 . 7 1 1 A 33 33 ARG CB C 33 30.011 30.276 -0.265 1
1 304 . 7 1 1 A 33 33 ARG N N 33 121.873 125.542 -3.669 1
1 305 . 7 1 1 A 34 34 THR H H 34 8.058 8.113 -0.055 1
1 306 . 7 1 1 A 34 34 THR HA H 34 4.350 4.575 -0.225 1
1 311 . 7 1 1 A 34 34 THR C C 34 174.371 174.318 0.053 1
1 312 . 7 1 1 A 34 34 THR CA C 34 60.432 61.852 -1.420 1
1 313 . 7 1 1 A 34 34 THR CB C 34 68.739 69.287 -0.548 1
1 315 . 7 1 1 A 34 34 THR N N 34 104.720 106.534 -1.814 1
1 316 . 7 1 1 A 35 35 GLU H H 35 7.473 7.491 -0.018 1
1 317 . 7 1 1 A 35 35 GLU HA H 35 4.239 4.221 0.018 1
1 322 . 7 1 1 A 35 35 GLU C C 35 176.021 175.940 0.081 1
1 323 . 7 1 1 A 35 35 GLU CA C 35 56.921 56.700 0.221 1
1 324 . 7 1 1 A 35 35 GLU CB C 35 31.086 30.142 0.944 1
1 326 . 7 1 1 A 35 35 GLU N N 35 123.129 123.879 -0.750 1
1 327 . 7 1 1 A 36 36 THR H H 36 8.432 8.545 -0.113 1
1 328 . 7 1 1 A 36 36 THR HA H 36 4.987 5.028 -0.041 1
1 333 . 7 1 1 A 36 36 THR C C 36 175.939 176.276 -0.337 1
1 334 . 7 1 1 A 36 36 THR CA C 36 60.249 60.651 -0.402 1
1 335 . 7 1 1 A 36 36 THR CB C 36 71.783 71.118 0.665 1
1 337 . 7 1 1 A 36 36 THR N N 36 112.476 115.994 -3.518 1
1 338 . 7 1 1 A 37 37 VAL H H 37 8.087 9.031 -0.944 1
1 339 . 7 1 1 A 37 37 VAL HA H 37 3.411 3.648 -0.237 1
1 347 . 7 1 1 A 37 37 VAL C C 37 178.249 177.625 0.624 1
1 348 . 7 1 1 A 37 37 VAL CA C 37 67.397 66.648 0.749 1
1 349 . 7 1 1 A 37 37 VAL CB C 37 31.567 31.324 0.243 1
1 352 . 7 1 1 A 37 37 VAL N N 37 121.215 122.752 -1.537 1
1 353 . 7 1 1 A 38 38 SER H H 38 8.863 8.042 0.821 1
1 354 . 7 1 1 A 38 38 SER HA H 38 4.760 4.195 0.565 1
1 357 . 7 1 1 A 38 38 SER C C 38 176.814 177.011 -0.197 1
1 358 . 7 1 1 A 38 38 SER CA C 38 57.746 61.630 -3.884 1
1 359 . 7 1 1 A 38 38 SER CB C 38 62.627 62.861 -0.234 1
1 360 . 7 1 1 A 38 38 SER N N 38 112.752 116.183 -3.431 1
1 361 . 7 1 1 A 39 39 SER H H 39 7.999 7.942 0.057 1
1 362 . 7 1 1 A 39 39 SER HA H 39 4.318 4.326 -0.008 1
1 365 . 7 1 1 A 39 39 SER C C 39 177.692 176.850 0.842 1
1 366 . 7 1 1 A 39 39 SER CA C 39 61.338 61.266 0.072 1
1 367 . 7 1 1 A 39 39 SER CB C 39 62.349 63.069 -0.720 1
1 368 . 7 1 1 A 39 39 SER N N 39 117.918 117.032 0.886 1
1 369 . 7 1 1 A 40 40 LEU H H 40 8.227 7.943 0.284 1
1 370 . 7 1 1 A 40 40 LEU HA H 40 4.104 4.135 -0.031 1
1 380 . 7 1 1 A 40 40 LEU C C 40 178.420 178.863 -0.443 1
1 381 . 7 1 1 A 40 40 LEU CA C 40 58.235 57.699 0.536 1
1 382 . 7 1 1 A 40 40 LEU CB C 40 40.797 41.705 -0.908 1
1 386 . 7 1 1 A 40 40 LEU N N 40 123.592 123.137 0.455 1
1 387 . 7 1 1 A 41 41 LYS H H 41 8.470 8.223 0.247 1
1 388 . 7 1 1 A 41 41 LYS HA H 41 3.824 4.122 -0.298 1
1 397 . 7 1 1 A 41 41 LYS C C 41 178.476 179.008 -0.532 1
1 398 . 7 1 1 A 41 41 LYS CA C 41 61.313 59.906 1.407 1
1 399 . 7 1 1 A 41 41 LYS CB C 41 32.414 32.066 0.348 1
1 403 . 7 1 1 A 41 41 LYS N N 41 118.401 118.535 -0.134 1
1 404 . 7 1 1 A 42 42 ASP H H 42 7.956 8.324 -0.368 1
1 405 . 7 1 1 A 42 42 ASP HA H 42 4.447 4.370 0.077 1
1 408 . 7 1 1 A 42 42 ASP C C 42 178.806 178.949 -0.143 1
1 409 . 7 1 1 A 42 42 ASP CA C 42 57.802 57.598 0.204 1
1 410 . 7 1 1 A 42 42 ASP CB C 42 40.585 42.240 -1.655 1
1 411 . 7 1 1 A 42 42 ASP N N 42 119.295 119.801 -0.506 1
1 412 . 7 1 1 A 43 43 LYS H H 43 8.024 7.604 0.420 1
1 413 . 7 1 1 A 43 43 LYS HA H 43 4.039 4.235 -0.196 1
1 422 . 7 1 1 A 43 43 LYS C C 43 179.941 179.608 0.333 1
1 423 . 7 1 1 A 43 43 LYS CA C 43 60.014 59.515 0.499 1
1 424 . 7 1 1 A 43 43 LYS CB C 43 32.865 32.456 0.409 1
1 428 . 7 1 1 A 43 43 LYS N N 43 119.784 117.851 1.933 1
1 429 . 7 1 1 A 44 44 ILE H H 44 8.480 8.154 0.326 1
1 430 . 7 1 1 A 44 44 ILE HA H 44 3.702 3.827 -0.125 1
1 440 . 7 1 1 A 44 44 ILE C C 44 177.328 178.339 -1.011 1
1 441 . 7 1 1 A 44 44 ILE CA C 44 65.725 65.523 0.202 1
1 442 . 7 1 1 A 44 44 ILE CB C 44 38.110 37.962 0.148 1
1 446 . 7 1 1 A 44 44 ILE N N 44 119.363 120.509 -1.146 1
1 447 . 7 1 1 A 45 45 HIS H H 45 8.635 8.609 0.026 1
1 448 . 7 1 1 A 45 45 HIS HA H 45 4.471 4.206 0.265 1
1 453 . 7 1 1 A 45 45 HIS C C 45 176.407 177.218 -0.811 1
1 454 . 7 1 1 A 45 45 HIS CA C 45 58.451 59.733 -1.282 1
1 455 . 7 1 1 A 45 45 HIS CB C 45 28.055 29.670 -1.615 1
1 458 . 7 1 1 A 45 45 HIS N N 45 118.889 119.585 -0.696 1
1 461 . 7 1 1 A 46 46 ILE H H 46 7.868 7.688 0.180 1
1 462 . 7 1 1 A 46 46 ILE HA H 46 3.571 3.592 -0.021 1
1 472 . 7 1 1 A 46 46 ILE C C 46 177.371 178.424 -1.053 1
1 473 . 7 1 1 A 46 46 ILE CA C 46 63.925 63.924 0.001 1
1 474 . 7 1 1 A 46 46 ILE CB C 46 37.704 36.900 0.804 1
1 478 . 7 1 1 A 46 46 ILE N N 46 118.414 119.086 -0.672 1
1 479 . 7 1 1 A 47 47 VAL H H 47 7.223 7.578 -0.355 1
1 480 . 7 1 1 A 47 47 VAL HA H 47 3.684 3.647 0.037 1
1 488 . 7 1 1 A 47 47 VAL C C 47 176.706 176.346 0.360 1
1 489 . 7 1 1 A 47 47 VAL CA C 47 64.807 65.601 -0.794 1
1 490 . 7 1 1 A 47 47 VAL CB C 47 32.209 32.230 -0.021 1
1 493 . 7 1 1 A 47 47 VAL N N 47 116.982 120.188 -3.206 1
1 494 . 7 1 1 A 48 48 GLU H H 48 8.090 8.366 -0.276 1
1 495 . 7 1 1 A 48 48 GLU HA H 48 4.271 4.201 0.070 1
1 500 . 7 1 1 A 48 48 GLU C C 48 176.042 176.134 -0.092 1
1 501 . 7 1 1 A 48 48 GLU CA C 48 55.062 55.318 -0.256 1
1 502 . 7 1 1 A 48 48 GLU CB C 48 31.544 31.084 0.460 1
1 504 . 7 1 1 A 48 48 GLU N N 48 118.849 119.007 -0.158 1
1 505 . 7 1 1 A 49 49 ASN H H 49 8.113 8.394 -0.281 1
1 506 . 7 1 1 A 49 49 ASN HA H 49 4.137 4.663 -0.526 1
1 511 . 7 1 1 A 49 49 ASN C C 49 174.993 175.691 -0.698 1
1 512 . 7 1 1 A 49 49 ASN CA C 49 54.287 53.531 0.756 1
1 513 . 7 1 1 A 49 49 ASN CB C 49 37.647 39.427 -1.780 1
1 514 . 7 1 1 A 49 49 ASN N N 49 118.695 118.171 0.524 1
1 516 . 7 1 1 A 50 50 THR H H 50 7.780 7.352 0.428 1
1 517 . 7 1 1 A 50 50 THR HA H 50 4.483 4.447 0.036 1
1 522 . 7 1 1 A 50 50 THR C C 50 173.107 172.974 0.133 1
1 523 . 7 1 1 A 50 50 THR CA C 50 61.094 61.373 -0.279 1
1 524 . 7 1 1 A 50 50 THR CB C 50 70.926 69.497 1.429 1
1 526 . 7 1 1 A 50 50 THR N N 50 118.434 115.762 2.672 1
1 527 . 7 1 1 A 51 51 PRO HA H 51 4.485 4.584 -0.099 1
1 534 . 7 1 1 A 51 51 PRO C C 51 178.067 177.594 0.473 1
1 535 . 7 1 1 A 51 51 PRO CA C 51 63.075 63.041 0.034 1
1 536 . 7 1 1 A 51 51 PRO CB C 51 31.996 32.789 -0.793 1
1 539 . 7 1 1 A 52 52 ILE H H 52 8.530 8.233 0.297 1
1 540 . 7 1 1 A 52 52 ILE HA H 52 3.764 3.873 -0.109 1
1 550 . 7 1 1 A 52 52 ILE C C 52 179.363 177.960 1.403 1
1 551 . 7 1 1 A 52 52 ILE CA C 52 64.855 63.820 1.035 1
1 552 . 7 1 1 A 52 52 ILE CB C 52 38.109 37.583 0.526 1
1 556 . 7 1 1 A 52 52 ILE N N 52 125.501 122.726 2.775 1
1 557 . 7 1 1 A 53 53 LYS H H 53 8.603 7.959 0.644 1
1 558 . 7 1 1 A 53 53 LYS HA H 53 4.180 4.234 -0.054 1
1 567 . 7 1 1 A 53 53 LYS C C 53 177.113 178.008 -0.895 1
1 568 . 7 1 1 A 53 53 LYS CA C 53 57.816 58.909 -1.093 1
1 569 . 7 1 1 A 53 53 LYS CB C 53 31.992 32.391 -0.399 1
1 573 . 7 1 1 A 53 53 LYS N N 53 117.464 120.412 -2.948 1
1 574 . 7 1 1 A 54 54 ARG H H 54 7.479 8.064 -0.585 1
1 575 . 7 1 1 A 54 54 ARG HA H 54 4.361 4.524 -0.163 1
1 582 . 7 1 1 A 54 54 ARG C C 54 175.507 175.768 -0.261 1
1 583 . 7 1 1 A 54 54 ARG CA C 54 56.051 57.853 -1.802 1
1 584 . 7 1 1 A 54 54 ARG CB C 54 31.559 31.111 0.448 1
1 587 . 7 1 1 A 54 54 ARG N N 54 114.601 119.650 -5.049 1
1 588 . 7 1 1 A 55 55 MET H H 55 7.479 7.531 -0.052 1
1 589 . 7 1 1 A 55 55 MET HA H 55 4.435 4.844 -0.409 1
1 597 . 7 1 1 A 55 55 MET C C 55 175.276 174.843 0.433 1
1 598 . 7 1 1 A 55 55 MET CA C 55 57.365 53.857 3.508 1
1 599 . 7 1 1 A 55 55 MET CB C 55 35.142 34.247 0.895 1
1 602 . 7 1 1 A 55 55 MET N N 55 116.986 115.293 1.693 1
1 603 . 7 1 1 A 56 56 GLN H H 56 8.958 9.278 -0.320 1
1 604 . 7 1 1 A 56 56 GLN HA H 56 4.502 5.055 -0.553 1
1 611 . 7 1 1 A 56 56 GLN C C 56 173.429 174.428 -0.999 1
1 612 . 7 1 1 A 56 56 GLN CA C 56 54.982 54.254 0.728 1
1 613 . 7 1 1 A 56 56 GLN CB C 56 32.420 32.104 0.316 1
1 615 . 7 1 1 A 56 56 GLN N N 56 124.094 123.337 0.757 1
1 617 . 7 1 1 A 57 57 LEU H H 57 8.603 8.700 -0.097 1
1 618 . 7 1 1 A 57 57 LEU HA H 57 5.190 5.116 0.074 1
1 628 . 7 1 1 A 57 57 LEU C C 57 175.421 175.761 -0.340 1
1 629 . 7 1 1 A 57 57 LEU CA C 57 53.437 53.663 -0.226 1
1 630 . 7 1 1 A 57 57 LEU CB C 57 44.367 43.223 1.144 1
1 634 . 7 1 1 A 57 57 LEU N N 57 124.534 126.152 -1.618 1
1 635 . 7 1 1 A 58 58 TYR H H 58 9.319 9.341 -0.022 1
1 636 . 7 1 1 A 58 58 TYR HA H 58 5.145 5.412 -0.267 1
1 643 . 7 1 1 A 58 58 TYR C C 58 174.821 174.359 0.462 1
1 644 . 7 1 1 A 58 58 TYR CA C 58 56.503 56.371 0.132 1
1 645 . 7 1 1 A 58 58 TYR CB C 58 43.323 41.460 1.863 1
1 648 . 7 1 1 A 58 58 TYR N N 58 119.746 122.795 -3.049 1
1 649 . 7 1 1 A 59 59 TYR H H 59 8.993 9.376 -0.383 1
1 650 . 7 1 1 A 59 59 TYR HA H 59 5.173 4.907 0.266 1
1 657 . 7 1 1 A 59 59 TYR C C 59 174.980 175.140 -0.160 1
1 658 . 7 1 1 A 59 59 TYR CA C 59 55.625 57.218 -1.593 1
1 659 . 7 1 1 A 59 59 TYR CB C 59 41.981 40.864 1.117 1
1 662 . 7 1 1 A 59 59 TYR N N 59 120.286 124.995 -4.709 1
1 663 . 7 1 1 A 60 60 SER H H 60 9.320 9.044 0.276 1
1 664 . 7 1 1 A 60 60 SER HA H 60 3.668 4.030 -0.362 1
1 667 . 7 1 1 A 60 60 SER C C 60 174.893 174.404 0.489 1
1 668 . 7 1 1 A 60 60 SER CA C 60 57.815 59.088 -1.273 1
1 669 . 7 1 1 A 60 60 SER CB C 60 62.602 61.497 1.105 1
1 670 . 7 1 1 A 60 60 SER N N 60 125.263 122.950 2.313 1
1 671 . 7 1 1 A 61 61 GLY H H 61 8.649 8.410 0.239 1
1 672 . 7 1 1 A 61 61 GLY HA2 H 61 4.035 3.864 0.171 1
1 673 . 7 1 1 A 61 61 GLY HA3 H 61 3.409 3.907 -0.498 1
1 674 . 7 1 1 A 61 61 GLY C C 61 173.346 173.997 -0.651 1
1 675 . 7 1 1 A 61 61 GLY CA C 61 44.726 45.067 -0.341 1
1 676 . 7 1 1 A 62 62 ILE H H 62 8.128 7.830 0.298 1
1 677 . 7 1 1 A 62 62 ILE HA H 62 4.304 4.074 0.230 1
1 687 . 7 1 1 A 62 62 ILE C C 62 174.950 175.335 -0.385 1
1 688 . 7 1 1 A 62 62 ILE CA C 62 59.396 60.485 -1.089 1
1 689 . 7 1 1 A 62 62 ILE CB C 62 39.110 37.163 1.947 1
1 693 . 7 1 1 A 62 62 ILE N N 62 123.077 122.830 0.247 1
1 694 . 7 1 1 A 63 63 GLU H H 63 8.697 8.814 -0.117 1
1 695 . 7 1 1 A 63 63 GLU HA H 63 3.534 4.101 -0.567 1
1 700 . 7 1 1 A 63 63 GLU C C 63 177.156 175.291 1.865 1
1 701 . 7 1 1 A 63 63 GLU CA C 63 55.231 56.100 -0.869 1
1 702 . 7 1 1 A 63 63 GLU CB C 63 29.804 29.879 -0.075 1
1 704 . 7 1 1 A 63 63 GLU N N 63 127.682 128.266 -0.584 1
1 705 . 7 1 1 A 64 64 LEU H H 64 8.791 8.881 -0.090 1
1 706 . 7 1 1 A 64 64 LEU HA H 64 3.954 4.108 -0.154 1
1 716 . 7 1 1 A 64 64 LEU C C 64 176.428 176.458 -0.030 1
1 717 . 7 1 1 A 64 64 LEU CA C 64 52.211 54.130 -1.919 1
1 718 . 7 1 1 A 64 64 LEU CB C 64 37.239 39.847 -2.608 1
1 722 . 7 1 1 A 64 64 LEU N N 64 130.005 128.750 1.255 1
1 723 . 7 1 1 A 65 65 ALA H H 65 7.369 8.257 -0.888 1
1 724 . 7 1 1 A 65 65 ALA HA H 65 4.052 4.262 -0.210 1
1 728 . 7 1 1 A 65 65 ALA C C 65 176.322 177.263 -0.941 1
1 729 . 7 1 1 A 65 65 ALA CA C 65 53.207 53.488 -0.281 1
1 730 . 7 1 1 A 65 65 ALA CB C 65 20.170 19.558 0.612 1
1 731 . 7 1 1 A 65 65 ALA N N 65 124.744 126.867 -2.123 1
1 732 . 7 1 1 A 66 66 ASP H H 66 7.472 7.494 -0.022 1
1 733 . 7 1 1 A 66 66 ASP HA H 66 4.857 4.674 0.183 1
1 736 . 7 1 1 A 66 66 ASP C C 66 175.635 175.919 -0.284 1
1 737 . 7 1 1 A 66 66 ASP CA C 66 52.192 53.854 -1.662 1
1 738 . 7 1 1 A 66 66 ASP CB C 66 41.603 40.064 1.539 1
1 739 . 7 1 1 A 66 66 ASP N N 66 117.457 118.366 -0.909 1
1 740 . 7 1 1 A 67 67 ASP H H 67 8.541 9.079 -0.538 1
1 741 . 7 1 1 A 67 67 ASP HA H 67 4.209 4.360 -0.151 1
1 744 . 7 1 1 A 67 67 ASP C C 67 176.292 177.256 -0.964 1
1 745 . 7 1 1 A 67 67 ASP CA C 67 56.925 57.022 -0.097 1
1 746 . 7 1 1 A 67 67 ASP CB C 67 40.835 40.532 0.303 1
1 747 . 7 1 1 A 67 67 ASP N N 67 124.544 126.371 -1.827 1
1 748 . 7 1 1 A 68 68 TYR H H 68 7.701 7.783 -0.082 1
1 749 . 7 1 1 A 68 68 TYR HA H 68 4.589 4.292 0.297 1
1 756 . 7 1 1 A 68 68 TYR C C 68 175.742 175.963 -0.221 1
1 757 . 7 1 1 A 68 68 TYR CA C 68 56.622 58.011 -1.389 1
1 758 . 7 1 1 A 68 68 TYR CB C 68 37.607 38.323 -0.716 1
1 761 . 7 1 1 A 68 68 TYR N N 68 112.752 116.388 -3.636 1
1 762 . 7 1 1 A 69 69 ARG H H 69 7.182 7.031 0.151 1
1 763 . 7 1 1 A 69 69 ARG HA H 69 4.245 4.350 -0.105 1
1 771 . 7 1 1 A 69 69 ARG C C 69 175.443 175.489 -0.046 1
1 772 . 7 1 1 A 69 69 ARG CA C 69 56.056 55.107 0.949 1
1 773 . 7 1 1 A 69 69 ARG CB C 69 31.536 30.975 0.561 1
1 776 . 7 1 1 A 69 69 ARG N N 69 122.155 122.219 -0.064 1
1 778 . 7 1 1 A 70 70 ASN H H 70 8.749 8.867 -0.118 1
1 779 . 7 1 1 A 70 70 ASN HA H 70 5.068 5.033 0.035 1
1 784 . 7 1 1 A 70 70 ASN C C 70 177.349 176.824 0.525 1
1 785 . 7 1 1 A 70 70 ASN CA C 70 52.528 52.539 -0.011 1
1 786 . 7 1 1 A 70 70 ASN CB C 70 39.856 39.242 0.614 1
1 787 . 7 1 1 A 70 70 ASN N N 70 120.300 119.928 0.372 1
1 789 . 7 1 1 A 71 71 LEU H H 71 8.603 9.024 -0.421 1
1 790 . 7 1 1 A 71 71 LEU HA H 71 3.943 4.113 -0.170 1
1 800 . 7 1 1 A 71 71 LEU C C 71 179.470 179.063 0.407 1
1 801 . 7 1 1 A 71 71 LEU CA C 71 58.074 57.751 0.323 1
1 802 . 7 1 1 A 71 71 LEU CB C 71 39.446 41.529 -2.083 1
1 806 . 7 1 1 A 71 71 LEU N N 71 118.872 123.844 -4.972 1
1 807 . 7 1 1 A 72 72 ASN H H 72 8.561 8.232 0.329 1
1 808 . 7 1 1 A 72 72 ASN HA H 72 4.394 4.332 0.062 1
1 813 . 7 1 1 A 72 72 ASN C C 72 178.592 177.523 1.069 1
1 814 . 7 1 1 A 72 72 ASN CA C 72 56.065 55.651 0.414 1
1 815 . 7 1 1 A 72 72 ASN CB C 72 37.663 37.238 0.425 1
1 816 . 7 1 1 A 72 72 ASN N N 72 115.744 117.068 -1.324 1
1 818 . 7 1 1 A 73 73 GLU H H 73 7.979 7.987 -0.008 1
1 819 . 7 1 1 A 73 73 GLU HA H 73 4.041 3.912 0.129 1
1 824 . 7 1 1 A 73 73 GLU C C 73 177.778 177.500 0.278 1
1 825 . 7 1 1 A 73 73 GLU CA C 73 58.680 59.022 -0.342 1
1 826 . 7 1 1 A 73 73 GLU CB C 73 29.114 29.057 0.057 1
1 828 . 7 1 1 A 73 73 GLU N N 73 121.014 119.669 1.345 1
1 829 . 7 1 1 A 74 74 TYR H H 74 7.500 7.190 0.310 1
1 830 . 7 1 1 A 74 74 TYR HA H 74 4.567 4.612 -0.045 1
1 837 . 7 1 1 A 74 74 TYR C C 74 175.592 175.996 -0.404 1
1 838 . 7 1 1 A 74 74 TYR CA C 74 58.790 57.721 1.069 1
1 839 . 7 1 1 A 74 74 TYR CB C 74 39.440 38.854 0.586 1
1 842 . 7 1 1 A 74 74 TYR N N 74 115.573 116.291 -0.718 1
1 843 . 7 1 1 A 75 75 GLY H H 75 7.702 8.035 -0.333 1
1 844 . 7 1 1 A 75 75 GLY HA2 H 75 4.274 3.934 0.340 1
1 845 . 7 1 1 A 75 75 GLY HA3 H 75 3.749 3.991 -0.242 1
1 846 . 7 1 1 A 75 75 GLY C C 75 174.007 174.856 -0.849 1
1 847 . 7 1 1 A 75 75 GLY CA C 75 45.133 46.259 -1.126 1
1 848 . 7 1 1 A 75 75 GLY N N 75 105.620 109.296 -3.676 1
1 849 . 7 1 1 A 76 76 ILE H H 76 6.628 7.497 -0.869 1
1 850 . 7 1 1 A 76 76 ILE HA H 76 3.170 3.804 -0.634 1
1 860 . 7 1 1 A 76 76 ILE C C 76 174.607 175.039 -0.432 1
1 861 . 7 1 1 A 76 76 ILE CA C 76 62.037 61.431 0.606 1
1 862 . 7 1 1 A 76 76 ILE CB C 76 36.805 37.554 -0.749 1
1 866 . 7 1 1 A 76 76 ILE N N 76 120.041 122.300 -2.259 1
1 867 . 7 1 1 A 77 77 THR H H 77 8.437 8.640 -0.203 1
1 868 . 7 1 1 A 77 77 THR HA H 77 4.420 4.855 -0.435 1
1 873 . 7 1 1 A 77 77 THR C C 77 172.893 172.096 0.797 1
1 874 . 7 1 1 A 77 77 THR CA C 77 58.687 59.303 -0.616 1
1 875 . 7 1 1 A 77 77 THR CB C 77 70.917 71.352 -0.435 1
1 877 . 7 1 1 A 77 77 THR N N 77 121.014 120.497 0.517 1
1 878 . 7 1 1 A 78 78 GLU H H 78 8.235 8.629 -0.394 1
1 879 . 7 1 1 A 78 78 GLU HA H 78 4.088 4.074 0.014 1
1 884 . 7 1 1 A 78 78 GLU C C 78 177.242 177.381 -0.139 1
1 885 . 7 1 1 A 78 78 GLU CA C 78 58.254 57.782 0.472 1
1 886 . 7 1 1 A 78 78 GLU CB C 78 29.336 30.015 -0.679 1
1 888 . 7 1 1 A 78 78 GLU N N 78 121.643 124.237 -2.594 1
1 889 . 7 1 1 A 79 79 PHE H H 79 9.152 9.384 -0.232 1
1 890 . 7 1 1 A 79 79 PHE HA H 79 4.363 4.274 0.089 1
1 895 . 7 1 1 A 79 79 PHE C C 79 176.385 175.401 0.984 1
1 896 . 7 1 1 A 79 79 PHE CA C 79 59.552 59.096 0.456 1
1 897 . 7 1 1 A 79 79 PHE CB C 79 36.282 38.434 -2.152 1
1 899 . 7 1 1 A 79 79 PHE N N 79 118.909 125.748 -6.839 1
1 900 . 7 1 1 A 80 80 SER H H 80 8.341 8.051 0.290 1
1 901 . 7 1 1 A 80 80 SER HA H 80 4.576 4.673 -0.097 1
1 904 . 7 1 1 A 80 80 SER C C 80 171.629 173.619 -1.990 1
1 905 . 7 1 1 A 80 80 SER CA C 80 61.398 58.448 2.950 1
1 906 . 7 1 1 A 80 80 SER CB C 80 64.796 64.551 0.245 1
1 907 . 7 1 1 A 80 80 SER N N 80 118.396 115.825 2.571 1
1 908 . 7 1 1 A 81 81 GLU H H 81 8.692 8.559 0.133 1
1 909 . 7 1 1 A 81 81 GLU HA H 81 5.115 4.780 0.335 1
1 914 . 7 1 1 A 81 81 GLU C C 81 174.993 174.966 0.027 1
1 915 . 7 1 1 A 81 81 GLU CA C 81 54.749 55.064 -0.315 1
1 916 . 7 1 1 A 81 81 GLU CB C 81 31.666 30.708 0.958 1
1 918 . 7 1 1 A 81 81 GLU N N 81 122.155 124.251 -2.096 1
1 919 . 7 1 1 A 82 82 ILE H H 82 9.335 9.255 0.080 1
1 920 . 7 1 1 A 82 82 ILE HA H 82 4.796 4.608 0.188 1
1 930 . 7 1 1 A 82 82 ILE C C 82 174.350 175.082 -0.732 1
1 931 . 7 1 1 A 82 82 ILE CA C 82 58.543 59.739 -1.196 1
1 932 . 7 1 1 A 82 82 ILE CB C 82 39.050 37.930 1.120 1
1 936 . 7 1 1 A 82 82 ILE N N 82 127.389 128.325 -0.936 1
1 937 . 7 1 1 A 83 83 VAL H H 83 9.136 9.003 0.133 1
1 938 . 7 1 1 A 83 83 VAL HA H 83 4.359 4.168 0.191 1
1 946 . 7 1 1 A 83 83 VAL C C 83 174.971 175.414 -0.443 1
1 947 . 7 1 1 A 83 83 VAL CA C 83 61.756 62.387 -0.631 1
1 948 . 7 1 1 A 83 83 VAL CB C 83 33.537 31.912 1.625 1
1 951 . 7 1 1 A 83 83 VAL N N 83 128.322 128.338 -0.016 1
1 952 . 7 1 1 A 84 84 VAL H H 84 8.019 8.909 -0.890 1
1 953 . 7 1 1 A 84 84 VAL HA H 84 4.524 4.945 -0.421 1
1 961 . 7 1 1 A 84 84 VAL C C 84 175.090 174.814 0.276 1
1 962 . 7 1 1 A 84 84 VAL CA C 84 61.268 60.802 0.466 1
1 963 . 7 1 1 A 84 84 VAL CB C 84 32.543 31.823 0.720 1
1 966 . 7 1 1 A 84 84 VAL N N 84 125.746 128.356 -2.610 1
1 967 . 7 1 1 A 85 85 PHE H H 85 9.165 8.799 0.366 1
1 968 . 7 1 1 A 85 85 PHE HA H 85 4.795 4.994 -0.199 1
1 976 . 7 1 1 A 85 85 PHE C C 85 174.414 174.968 -0.554 1
1 977 . 7 1 1 A 85 85 PHE CA C 85 55.636 57.009 -1.373 1
1 978 . 7 1 1 A 85 85 PHE CB C 85 41.618 40.598 1.020 1
1 982 . 7 1 1 A 85 85 PHE N N 85 126.921 126.488 0.433 1
1 983 . 7 1 1 A 86 86 LEU H H 86 8.314 8.950 -0.636 1
1 984 . 7 1 1 A 86 86 LEU HA H 86 5.103 5.227 -0.124 1
1 994 . 7 1 1 A 86 86 LEU C C 86 177.221 176.140 1.081 1
1 995 . 7 1 1 A 86 86 LEU CA C 86 52.667 53.558 -0.891 1
1 996 . 7 1 1 A 86 86 LEU CB C 86 42.493 43.911 -1.418 1
1 1000 . 7 1 1 A 86 86 LEU N N 86 122.166 123.407 -1.241 1
1 1001 . 7 1 1 A 87 87 LYS H H 87 9.006 9.566 -0.560 1
1 1002 . 7 1 1 A 87 87 LYS HA H 87 4.276 5.063 -0.787 1
1 1011 . 7 1 1 A 87 87 LYS C C 87 176.685 174.473 2.212 1
1 1012 . 7 1 1 A 87 87 LYS CA C 87 56.069 54.972 1.097 1
1 1013 . 7 1 1 A 87 87 LYS CB C 87 33.751 36.156 -2.405 1
1 1017 . 7 1 1 A 87 87 LYS N N 87 124.552 121.117 3.435 1
1 1018 . 7 1 1 A 88 88 SER H H 88 8.640 8.794 -0.154 1
1 1019 . 7 1 1 A 88 88 SER HA H 88 4.461 4.796 -0.335 1
1 1022 . 7 1 1 A 88 88 SER C C 88 174.671 174.235 0.436 1
1 1023 . 7 1 1 A 88 88 SER CA C 88 58.244 58.282 -0.038 1
1 1024 . 7 1 1 A 88 88 SER CB C 88 63.518 63.072 0.446 1
1 1025 . 7 1 1 A 88 88 SER N N 88 118.741 120.339 -1.598 1
1 1026 . 7 1 1 A 89 89 ILE H H 89 8.401 7.791 0.610 1
1 1027 . 7 1 1 A 89 89 ILE HA H 89 4.173 4.081 0.092 1
1 1037 . 7 1 1 A 89 89 ILE C C 89 175.828 175.522 0.306 1
1 1038 . 7 1 1 A 89 89 ILE CA C 89 61.240 61.243 -0.003 1
1 1039 . 7 1 1 A 89 89 ILE CB C 89 38.930 38.718 0.212 1
1 1043 . 7 1 1 A 89 89 ILE N N 89 122.196 123.763 -1.567 1
1 1044 . 7 1 1 A 90 90 ASN H H 90 8.479 8.675 -0.196 1
1 1045 . 7 1 1 A 90 90 ASN HA H 90 4.709 4.780 -0.071 1
1 1050 . 7 1 1 A 90 90 ASN C C 90 174.971 174.325 0.646 1
1 1051 . 7 1 1 A 90 90 ASN CA C 90 52.863 52.603 0.260 1
1 1052 . 7 1 1 A 90 90 ASN CB C 90 38.726 38.176 0.550 1
1 1053 . 7 1 1 A 90 90 ASN N N 90 122.645 123.421 -0.776 1
1 1055 . 7 1 1 A 91 91 ARG H H 91 8.340 8.442 -0.102 1
1 1056 . 7 1 1 A 91 91 ARG HA H 91 4.321 4.707 -0.386 1
1 1063 . 7 1 1 A 91 91 ARG C C 91 175.850 175.502 0.348 1
1 1064 . 7 1 1 A 91 91 ARG CA C 91 55.708 55.854 -0.146 1
1 1065 . 7 1 1 A 91 91 ARG CB C 91 30.704 30.829 -0.125 1
1 1068 . 7 1 1 A 91 91 ARG N N 91 122.190 128.517 -6.327 1
1 1069 . 7 1 1 A 92 92 ALA H H 92 8.310 8.795 -0.485 1
1 1070 . 7 1 1 A 92 92 ALA HA H 92 4.292 5.090 -0.798 1
1 1074 . 7 1 1 A 92 92 ALA C C 92 177.456 177.027 0.429 1
1 1075 . 7 1 1 A 92 92 ALA CA C 92 52.524 50.307 2.217 1
1 1076 . 7 1 1 A 92 92 ALA CB C 92 19.254 23.212 -3.958 1
1 1077 . 7 1 1 A 92 92 ALA N N 92 125.492 129.365 -3.873 1
1 1078 . 7 1 1 A 93 93 LYS H H 93 8.189 8.566 -0.377 1
1 1079 . 7 1 1 A 93 93 LYS HA H 93 4.318 4.519 -0.201 1
1 1088 . 7 1 1 A 93 93 LYS C C 93 175.357 175.510 -0.153 1
1 1089 . 7 1 1 A 93 93 LYS CA C 93 56.059 56.252 -0.193 1
1 1090 . 7 1 1 A 93 93 LYS CB C 93 33.101 32.952 0.149 1
1 1094 . 7 1 1 A 93 93 LYS N N 93 120.307 118.838 1.469 1
1 1 . 8 1 1 A 11 11 ALA HA H 11 4.252 4.513 -0.261 1
1 5 . 8 1 1 A 11 11 ALA CA C 11 52.471 50.652 1.819 1
1 6 . 8 1 1 A 11 11 ALA CB C 11 19.020 19.824 -0.804 1
1 7 . 8 1 1 A 12 12 ALA H H 12 8.179 8.736 -0.557 1
1 8 . 8 1 1 A 12 12 ALA HA H 12 4.291 4.384 -0.093 1
1 12 . 8 1 1 A 12 12 ALA C C 12 177.662 176.397 1.265 1
1 13 . 8 1 1 A 12 12 ALA CA C 12 52.444 51.886 0.558 1
1 14 . 8 1 1 A 12 12 ALA CB C 12 18.943 17.465 1.478 1
1 15 . 8 1 1 A 12 12 ALA N N 12 123.114 127.260 -4.146 1
1 16 . 8 1 1 A 13 13 VAL H H 13 8.006 7.617 0.389 1
1 17 . 8 1 1 A 13 13 VAL HA H 13 4.100 4.317 -0.217 1
1 25 . 8 1 1 A 13 13 VAL C C 13 175.990 175.842 0.148 1
1 26 . 8 1 1 A 13 13 VAL CA C 13 62.182 61.437 0.745 1
1 27 . 8 1 1 A 13 13 VAL CB C 13 32.442 32.973 -0.531 1
1 29 . 8 1 1 A 13 13 VAL N N 13 119.213 119.636 -0.423 1
1 30 . 8 1 1 A 14 14 ARG H H 14 8.329 8.376 -0.047 1
1 31 . 8 1 1 A 14 14 ARG HA H 14 4.344 4.478 -0.134 1
1 38 . 8 1 1 A 14 14 ARG C C 14 175.844 175.004 0.840 1
1 39 . 8 1 1 A 14 14 ARG CA C 14 56.071 55.728 0.343 1
1 40 . 8 1 1 A 14 14 ARG CB C 14 31.099 30.361 0.738 1
1 43 . 8 1 1 A 14 14 ARG N N 14 125.039 125.614 -0.575 1
1 44 . 8 1 1 A 15 15 LYS H H 15 8.147 8.121 0.026 1
1 45 . 8 1 1 A 15 15 LYS HA H 15 4.552 4.431 0.121 1
1 54 . 8 1 1 A 15 15 LYS C C 15 176.186 176.941 -0.755 1
1 55 . 8 1 1 A 15 15 LYS CA C 15 55.632 56.363 -0.731 1
1 56 . 8 1 1 A 15 15 LYS CB C 15 33.543 33.127 0.416 1
1 60 . 8 1 1 A 15 15 LYS N N 15 121.711 124.267 -2.556 1
1 61 . 8 1 1 A 16 16 ILE H H 16 8.764 8.769 -0.005 1
1 62 . 8 1 1 A 16 16 ILE HA H 16 4.508 4.661 -0.153 1
1 72 . 8 1 1 A 16 16 ILE C C 16 174.333 174.935 -0.602 1
1 73 . 8 1 1 A 16 16 ILE CA C 16 59.343 59.494 -0.151 1
1 74 . 8 1 1 A 16 16 ILE CB C 16 41.575 39.544 2.031 1
1 78 . 8 1 1 A 16 16 ILE N N 16 116.484 119.279 -2.795 1
1 79 . 8 1 1 A 17 17 HIS H H 17 8.659 8.810 -0.151 1
1 80 . 8 1 1 A 17 17 HIS HA H 17 5.130 5.059 0.071 1
1 85 . 8 1 1 A 17 17 HIS C C 17 174.788 175.093 -0.305 1
1 86 . 8 1 1 A 17 17 HIS CA C 17 55.562 54.998 0.564 1
1 87 . 8 1 1 A 17 17 HIS CB C 17 30.047 30.268 -0.221 1
1 90 . 8 1 1 A 17 17 HIS N N 17 119.826 122.412 -2.586 1
1 93 . 8 1 1 A 18 18 VAL H H 18 8.788 8.918 -0.130 1
1 94 . 8 1 1 A 18 18 VAL HA H 18 4.681 4.766 -0.085 1
1 102 . 8 1 1 A 18 18 VAL C C 18 174.631 174.916 -0.285 1
1 103 . 8 1 1 A 18 18 VAL CA C 18 59.568 60.621 -1.053 1
1 104 . 8 1 1 A 18 18 VAL CB C 18 34.191 33.353 0.838 1
1 107 . 8 1 1 A 18 18 VAL N N 18 117.203 119.868 -2.665 1
1 108 . 8 1 1 A 19 19 THR H H 19 8.746 9.047 -0.301 1
1 109 . 8 1 1 A 19 19 THR HA H 19 4.603 4.738 -0.135 1
1 114 . 8 1 1 A 19 19 THR C C 19 172.422 173.941 -1.519 1
1 115 . 8 1 1 A 19 19 THR CA C 19 62.159 62.053 0.106 1
1 116 . 8 1 1 A 19 19 THR CB C 19 69.640 69.226 0.414 1
1 118 . 8 1 1 A 19 19 THR N N 19 121.216 121.980 -0.764 1
1 119 . 8 1 1 A 20 20 VAL H H 20 9.268 9.257 0.011 1
1 120 . 8 1 1 A 20 20 VAL HA H 20 4.426 4.600 -0.174 1
1 128 . 8 1 1 A 20 20 VAL C C 20 174.013 174.747 -0.734 1
1 129 . 8 1 1 A 20 20 VAL CA C 20 61.312 61.548 -0.236 1
1 130 . 8 1 1 A 20 20 VAL CB C 20 31.567 31.975 -0.408 1
1 133 . 8 1 1 A 20 20 VAL N N 20 128.437 127.951 0.486 1
1 134 . 8 1 1 A 21 21 LYS H H 21 9.147 9.033 0.114 1
1 135 . 8 1 1 A 21 21 LYS HA H 21 4.759 4.733 0.026 1
1 144 . 8 1 1 A 21 21 LYS C C 21 175.935 175.123 0.812 1
1 145 . 8 1 1 A 21 21 LYS CA C 21 55.384 55.019 0.365 1
1 146 . 8 1 1 A 21 21 LYS CB C 21 34.197 32.905 1.292 1
1 150 . 8 1 1 A 21 21 LYS N N 21 126.951 127.948 -0.997 1
1 151 . 8 1 1 A 22 22 PHE H H 22 8.938 8.702 0.236 1
1 152 . 8 1 1 A 22 22 PHE HA H 22 4.846 4.714 0.132 1
1 158 . 8 1 1 A 22 22 PHE C C 22 174.843 175.780 -0.937 1
1 159 . 8 1 1 A 22 22 PHE CA C 22 56.918 56.218 0.700 1
1 160 . 8 1 1 A 22 22 PHE CB C 22 39.021 40.493 -1.472 1
1 163 . 8 1 1 A 22 22 PHE N N 22 127.843 124.161 3.682 1
1 164 . 8 1 1 A 23 23 PRO HA H 23 4.192 4.363 -0.171 1
1 171 . 8 1 1 A 23 23 PRO C C 23 177.813 178.525 -0.712 1
1 172 . 8 1 1 A 23 23 PRO CA C 23 66.150 65.018 1.132 1
1 173 . 8 1 1 A 23 23 PRO CB C 23 31.588 31.851 -0.263 1
1 176 . 8 1 1 A 24 24 SER H H 24 8.115 8.719 -0.604 1
1 177 . 8 1 1 A 24 24 SER HA H 24 4.772 4.466 0.306 1
1 180 . 8 1 1 A 24 24 SER C C 24 173.836 174.924 -1.088 1
1 181 . 8 1 1 A 24 24 SER CA C 24 56.928 61.374 -4.446 1
1 182 . 8 1 1 A 24 24 SER CB C 24 64.789 63.491 1.298 1
1 183 . 8 1 1 A 24 24 SER N N 24 106.127 113.154 -7.027 1
1 184 . 8 1 1 A 25 25 LYS H H 25 7.321 7.835 -0.514 1
1 185 . 8 1 1 A 25 25 LYS HA H 25 4.739 4.777 -0.038 1
1 194 . 8 1 1 A 25 25 LYS C C 25 172.915 174.054 -1.139 1
1 195 . 8 1 1 A 25 25 LYS CA C 25 55.863 54.626 1.237 1
1 196 . 8 1 1 A 25 25 LYS CB C 25 34.621 35.404 -0.783 1
1 200 . 8 1 1 A 25 25 LYS N N 25 118.386 115.201 3.185 1
1 201 . 8 1 1 A 26 26 GLN H H 26 8.566 8.808 -0.242 1
1 202 . 8 1 1 A 26 26 GLN HA H 26 5.708 5.280 0.428 1
1 209 . 8 1 1 A 26 26 GLN C C 26 174.179 174.636 -0.457 1
1 210 . 8 1 1 A 26 26 GLN CA C 26 53.888 54.427 -0.539 1
1 211 . 8 1 1 A 26 26 GLN CB C 26 32.884 31.982 0.902 1
1 213 . 8 1 1 A 26 26 GLN N N 26 117.444 120.488 -3.044 1
1 215 . 8 1 1 A 27 27 PHE H H 27 8.564 8.613 -0.049 1
1 216 . 8 1 1 A 27 27 PHE HA H 27 5.085 5.230 -0.145 1
1 224 . 8 1 1 A 27 27 PHE C C 27 173.234 172.205 1.029 1
1 225 . 8 1 1 A 27 27 PHE CA C 27 55.993 56.072 -0.079 1
1 226 . 8 1 1 A 27 27 PHE CB C 27 40.088 41.050 -0.962 1
1 230 . 8 1 1 A 27 27 PHE N N 27 117.565 121.212 -3.647 1
1 231 . 8 1 1 A 28 28 THR H H 28 8.801 8.680 0.121 1
1 232 . 8 1 1 A 28 28 THR HA H 28 5.419 5.235 0.184 1
1 237 . 8 1 1 A 28 28 THR C C 28 174.650 173.859 0.791 1
1 238 . 8 1 1 A 28 28 THR CA C 28 61.203 61.693 -0.490 1
1 239 . 8 1 1 A 28 28 THR CB C 28 70.508 70.642 -0.134 1
1 241 . 8 1 1 A 28 28 THR N N 28 115.093 115.856 -0.763 1
1 242 . 8 1 1 A 29 29 VAL H H 29 8.983 9.408 -0.425 1
1 243 . 8 1 1 A 29 29 VAL HA H 29 4.549 4.950 -0.401 1
1 251 . 8 1 1 A 29 29 VAL C C 29 173.686 174.588 -0.902 1
1 252 . 8 1 1 A 29 29 VAL CA C 29 60.118 60.403 -0.285 1
1 253 . 8 1 1 A 29 29 VAL CB C 29 35.498 35.346 0.152 1
1 256 . 8 1 1 A 29 29 VAL N N 29 121.743 125.390 -3.647 1
1 257 . 8 1 1 A 30 30 GLU H H 30 8.460 8.697 -0.237 1
1 258 . 8 1 1 A 30 30 GLU HA H 30 4.894 5.034 -0.140 1
1 263 . 8 1 1 A 30 30 GLU C C 30 175.807 176.013 -0.206 1
1 264 . 8 1 1 A 30 30 GLU CA C 30 54.922 55.578 -0.656 1
1 265 . 8 1 1 A 30 30 GLU CB C 30 31.123 30.672 0.451 1
1 267 . 8 1 1 A 30 30 GLU N N 30 125.512 126.314 -0.802 1
1 268 . 8 1 1 A 31 31 VAL H H 31 8.917 8.562 0.355 1
1 269 . 8 1 1 A 31 31 VAL HA H 31 4.634 4.858 -0.224 1
1 277 . 8 1 1 A 31 31 VAL C C 31 174.136 174.034 0.102 1
1 278 . 8 1 1 A 31 31 VAL CA C 31 58.299 58.618 -0.319 1
1 279 . 8 1 1 A 31 31 VAL CB C 31 35.067 35.487 -0.420 1
1 282 . 8 1 1 A 31 31 VAL N N 31 118.900 117.975 0.925 1
1 283 . 8 1 1 A 32 32 ASP H H 32 9.032 8.361 0.671 1
1 284 . 8 1 1 A 32 32 ASP HA H 32 4.943 4.556 0.387 1
1 287 . 8 1 1 A 32 32 ASP C C 32 177.992 177.504 0.488 1
1 288 . 8 1 1 A 32 32 ASP CA C 32 53.428 54.324 -0.896 1
1 289 . 8 1 1 A 32 32 ASP CB C 32 42.939 42.741 0.198 1
1 290 . 8 1 1 A 32 32 ASP N N 32 121.708 123.786 -2.078 1
1 291 . 8 1 1 A 33 33 ARG H H 33 8.847 8.796 0.051 1
1 292 . 8 1 1 A 33 33 ARG HA H 33 3.952 4.050 -0.098 1
1 299 . 8 1 1 A 33 33 ARG C C 33 176.257 176.463 -0.206 1
1 300 . 8 1 1 A 33 33 ARG CA C 33 59.113 58.108 1.005 1
1 301 . 8 1 1 A 33 33 ARG CB C 33 30.011 29.617 0.394 1
1 304 . 8 1 1 A 33 33 ARG N N 33 121.873 124.004 -2.131 1
1 305 . 8 1 1 A 34 34 THR H H 34 8.058 8.038 0.020 1
1 306 . 8 1 1 A 34 34 THR HA H 34 4.350 4.668 -0.318 1
1 311 . 8 1 1 A 34 34 THR C C 34 174.371 174.135 0.236 1
1 312 . 8 1 1 A 34 34 THR CA C 34 60.432 61.699 -1.267 1
1 313 . 8 1 1 A 34 34 THR CB C 34 68.739 69.234 -0.495 1
1 315 . 8 1 1 A 34 34 THR N N 34 104.720 108.065 -3.345 1
1 316 . 8 1 1 A 35 35 GLU H H 35 7.473 7.519 -0.046 1
1 317 . 8 1 1 A 35 35 GLU HA H 35 4.239 4.271 -0.032 1
1 322 . 8 1 1 A 35 35 GLU C C 35 176.021 175.992 0.029 1
1 323 . 8 1 1 A 35 35 GLU CA C 35 56.921 56.491 0.430 1
1 324 . 8 1 1 A 35 35 GLU CB C 35 31.086 30.422 0.664 1
1 326 . 8 1 1 A 35 35 GLU N N 35 123.129 123.934 -0.805 1
1 327 . 8 1 1 A 36 36 THR H H 36 8.432 8.671 -0.239 1
1 328 . 8 1 1 A 36 36 THR HA H 36 4.987 5.003 -0.016 1
1 333 . 8 1 1 A 36 36 THR C C 36 175.939 176.352 -0.413 1
1 334 . 8 1 1 A 36 36 THR CA C 36 60.249 60.509 -0.260 1
1 335 . 8 1 1 A 36 36 THR CB C 36 71.783 71.345 0.438 1
1 337 . 8 1 1 A 36 36 THR N N 36 112.476 115.852 -3.376 1
1 338 . 8 1 1 A 37 37 VAL H H 37 8.087 9.042 -0.955 1
1 339 . 8 1 1 A 37 37 VAL HA H 37 3.411 3.647 -0.236 1
1 347 . 8 1 1 A 37 37 VAL C C 37 178.249 177.800 0.449 1
1 348 . 8 1 1 A 37 37 VAL CA C 37 67.397 66.537 0.860 1
1 349 . 8 1 1 A 37 37 VAL CB C 37 31.567 31.430 0.137 1
1 352 . 8 1 1 A 37 37 VAL N N 37 121.215 122.695 -1.480 1
1 353 . 8 1 1 A 38 38 SER H H 38 8.863 8.052 0.811 1
1 354 . 8 1 1 A 38 38 SER HA H 38 4.760 4.100 0.660 1
1 357 . 8 1 1 A 38 38 SER C C 38 176.814 176.946 -0.132 1
1 358 . 8 1 1 A 38 38 SER CA C 38 57.746 61.415 -3.669 1
1 359 . 8 1 1 A 38 38 SER CB C 38 62.627 63.098 -0.471 1
1 360 . 8 1 1 A 38 38 SER N N 38 112.752 116.469 -3.717 1
1 361 . 8 1 1 A 39 39 SER H H 39 7.999 7.939 0.060 1
1 362 . 8 1 1 A 39 39 SER HA H 39 4.318 4.261 0.057 1
1 365 . 8 1 1 A 39 39 SER C C 39 177.692 177.111 0.581 1
1 366 . 8 1 1 A 39 39 SER CA C 39 61.338 61.123 0.215 1
1 367 . 8 1 1 A 39 39 SER CB C 39 62.349 62.937 -0.588 1
1 368 . 8 1 1 A 39 39 SER N N 39 117.918 115.554 2.364 1
1 369 . 8 1 1 A 40 40 LEU H H 40 8.227 8.041 0.186 1
1 370 . 8 1 1 A 40 40 LEU HA H 40 4.104 4.109 -0.005 1
1 380 . 8 1 1 A 40 40 LEU C C 40 178.420 178.802 -0.382 1
1 381 . 8 1 1 A 40 40 LEU CA C 40 58.235 57.901 0.334 1
1 382 . 8 1 1 A 40 40 LEU CB C 40 40.797 41.869 -1.072 1
1 386 . 8 1 1 A 40 40 LEU N N 40 123.592 123.044 0.548 1
1 387 . 8 1 1 A 41 41 LYS H H 41 8.470 8.243 0.227 1
1 388 . 8 1 1 A 41 41 LYS HA H 41 3.824 4.091 -0.267 1
1 397 . 8 1 1 A 41 41 LYS C C 41 178.476 178.912 -0.436 1
1 398 . 8 1 1 A 41 41 LYS CA C 41 61.313 59.657 1.656 1
1 399 . 8 1 1 A 41 41 LYS CB C 41 32.414 31.831 0.583 1
1 403 . 8 1 1 A 41 41 LYS N N 41 118.401 118.470 -0.069 1
1 404 . 8 1 1 A 42 42 ASP H H 42 7.956 8.087 -0.131 1
1 405 . 8 1 1 A 42 42 ASP HA H 42 4.447 4.357 0.090 1
1 408 . 8 1 1 A 42 42 ASP C C 42 178.806 178.999 -0.193 1
1 409 . 8 1 1 A 42 42 ASP CA C 42 57.802 57.721 0.081 1
1 410 . 8 1 1 A 42 42 ASP CB C 42 40.585 41.873 -1.288 1
1 411 . 8 1 1 A 42 42 ASP N N 42 119.295 119.888 -0.593 1
1 412 . 8 1 1 A 43 43 LYS H H 43 8.024 7.668 0.356 1
1 413 . 8 1 1 A 43 43 LYS HA H 43 4.039 4.099 -0.060 1
1 422 . 8 1 1 A 43 43 LYS C C 43 179.941 179.648 0.293 1
1 423 . 8 1 1 A 43 43 LYS CA C 43 60.014 59.839 0.175 1
1 424 . 8 1 1 A 43 43 LYS CB C 43 32.865 32.468 0.397 1
1 428 . 8 1 1 A 43 43 LYS N N 43 119.784 117.633 2.151 1
1 429 . 8 1 1 A 44 44 ILE H H 44 8.480 7.991 0.489 1
1 430 . 8 1 1 A 44 44 ILE HA H 44 3.702 3.853 -0.151 1
1 440 . 8 1 1 A 44 44 ILE C C 44 177.328 178.515 -1.187 1
1 441 . 8 1 1 A 44 44 ILE CA C 44 65.725 64.874 0.851 1
1 442 . 8 1 1 A 44 44 ILE CB C 44 38.110 37.372 0.738 1
1 446 . 8 1 1 A 44 44 ILE N N 44 119.363 120.453 -1.090 1
1 447 . 8 1 1 A 45 45 HIS H H 45 8.635 8.094 0.541 1
1 448 . 8 1 1 A 45 45 HIS HA H 45 4.471 4.290 0.181 1
1 453 . 8 1 1 A 45 45 HIS C C 45 176.407 177.006 -0.599 1
1 454 . 8 1 1 A 45 45 HIS CA C 45 58.451 59.605 -1.154 1
1 455 . 8 1 1 A 45 45 HIS CB C 45 28.055 29.619 -1.564 1
1 458 . 8 1 1 A 45 45 HIS N N 45 118.889 119.927 -1.038 1
1 461 . 8 1 1 A 46 46 ILE H H 46 7.868 7.620 0.248 1
1 462 . 8 1 1 A 46 46 ILE HA H 46 3.571 3.613 -0.042 1
1 472 . 8 1 1 A 46 46 ILE C C 46 177.371 178.245 -0.874 1
1 473 . 8 1 1 A 46 46 ILE CA C 46 63.925 63.652 0.273 1
1 474 . 8 1 1 A 46 46 ILE CB C 46 37.704 36.837 0.867 1
1 478 . 8 1 1 A 46 46 ILE N N 46 118.414 118.891 -0.477 1
1 479 . 8 1 1 A 47 47 VAL H H 47 7.223 7.551 -0.328 1
1 480 . 8 1 1 A 47 47 VAL HA H 47 3.684 3.741 -0.057 1
1 488 . 8 1 1 A 47 47 VAL C C 47 176.706 175.567 1.139 1
1 489 . 8 1 1 A 47 47 VAL CA C 47 64.807 65.070 -0.263 1
1 490 . 8 1 1 A 47 47 VAL CB C 47 32.209 32.606 -0.397 1
1 493 . 8 1 1 A 47 47 VAL N N 47 116.982 118.953 -1.971 1
1 494 . 8 1 1 A 48 48 GLU H H 48 8.090 8.252 -0.162 1
1 495 . 8 1 1 A 48 48 GLU HA H 48 4.271 4.459 -0.188 1
1 500 . 8 1 1 A 48 48 GLU C C 48 176.042 176.539 -0.497 1
1 501 . 8 1 1 A 48 48 GLU CA C 48 55.062 54.623 0.439 1
1 502 . 8 1 1 A 48 48 GLU CB C 48 31.544 30.685 0.859 1
1 504 . 8 1 1 A 48 48 GLU N N 48 118.849 118.682 0.167 1
1 505 . 8 1 1 A 49 49 ASN H H 49 8.113 8.608 -0.495 1
1 506 . 8 1 1 A 49 49 ASN HA H 49 4.137 4.767 -0.630 1
1 511 . 8 1 1 A 49 49 ASN C C 49 174.993 173.417 1.576 1
1 512 . 8 1 1 A 49 49 ASN CA C 49 54.287 53.004 1.283 1
1 513 . 8 1 1 A 49 49 ASN CB C 49 37.647 36.730 0.917 1
1 514 . 8 1 1 A 49 49 ASN N N 49 118.695 121.310 -2.615 1
1 516 . 8 1 1 A 50 50 THR H H 50 7.780 7.453 0.327 1
1 517 . 8 1 1 A 50 50 THR HA H 50 4.483 4.824 -0.341 1
1 522 . 8 1 1 A 50 50 THR C C 50 173.107 172.703 0.404 1
1 523 . 8 1 1 A 50 50 THR CA C 50 61.094 59.198 1.896 1
1 524 . 8 1 1 A 50 50 THR CB C 50 70.926 72.511 -1.585 1
1 526 . 8 1 1 A 50 50 THR N N 50 118.434 115.786 2.648 1
1 527 . 8 1 1 A 51 51 PRO HA H 51 4.485 4.510 -0.025 1
1 534 . 8 1 1 A 51 51 PRO C C 51 178.067 177.464 0.603 1
1 535 . 8 1 1 A 51 51 PRO CA C 51 63.075 62.967 0.108 1
1 536 . 8 1 1 A 51 51 PRO CB C 51 31.996 32.784 -0.788 1
1 539 . 8 1 1 A 52 52 ILE H H 52 8.530 8.157 0.373 1
1 540 . 8 1 1 A 52 52 ILE HA H 52 3.764 3.844 -0.080 1
1 550 . 8 1 1 A 52 52 ILE C C 52 179.363 178.080 1.283 1
1 551 . 8 1 1 A 52 52 ILE CA C 52 64.855 63.779 1.076 1
1 552 . 8 1 1 A 52 52 ILE CB C 52 38.109 37.482 0.627 1
1 556 . 8 1 1 A 52 52 ILE N N 52 125.501 122.680 2.821 1
1 557 . 8 1 1 A 53 53 LYS H H 53 8.603 7.863 0.740 1
1 558 . 8 1 1 A 53 53 LYS HA H 53 4.180 4.243 -0.063 1
1 567 . 8 1 1 A 53 53 LYS C C 53 177.113 177.350 -0.237 1
1 568 . 8 1 1 A 53 53 LYS CA C 53 57.816 58.644 -0.828 1
1 569 . 8 1 1 A 53 53 LYS CB C 53 31.992 32.059 -0.067 1
1 573 . 8 1 1 A 53 53 LYS N N 53 117.464 120.982 -3.518 1
1 574 . 8 1 1 A 54 54 ARG H H 54 7.479 7.595 -0.116 1
1 575 . 8 1 1 A 54 54 ARG HA H 54 4.361 4.408 -0.047 1
1 582 . 8 1 1 A 54 54 ARG C C 54 175.507 176.125 -0.618 1
1 583 . 8 1 1 A 54 54 ARG CA C 54 56.051 55.869 0.182 1
1 584 . 8 1 1 A 54 54 ARG CB C 54 31.559 31.799 -0.240 1
1 587 . 8 1 1 A 54 54 ARG N N 54 114.601 116.874 -2.273 1
1 588 . 8 1 1 A 55 55 MET H H 55 7.479 7.173 0.306 1
1 589 . 8 1 1 A 55 55 MET HA H 55 4.435 5.183 -0.748 1
1 597 . 8 1 1 A 55 55 MET C C 55 175.276 174.248 1.028 1
1 598 . 8 1 1 A 55 55 MET CA C 55 57.365 53.418 3.947 1
1 599 . 8 1 1 A 55 55 MET CB C 55 35.142 35.177 -0.035 1
1 602 . 8 1 1 A 55 55 MET N N 55 116.986 116.285 0.701 1
1 603 . 8 1 1 A 56 56 GLN H H 56 8.958 9.241 -0.283 1
1 604 . 8 1 1 A 56 56 GLN HA H 56 4.502 5.003 -0.501 1
1 611 . 8 1 1 A 56 56 GLN C C 56 173.429 174.291 -0.862 1
1 612 . 8 1 1 A 56 56 GLN CA C 56 54.982 54.196 0.786 1
1 613 . 8 1 1 A 56 56 GLN CB C 56 32.420 32.297 0.123 1
1 615 . 8 1 1 A 56 56 GLN N N 56 124.094 120.599 3.495 1
1 617 . 8 1 1 A 57 57 LEU H H 57 8.603 8.578 0.025 1
1 618 . 8 1 1 A 57 57 LEU HA H 57 5.190 5.135 0.055 1
1 628 . 8 1 1 A 57 57 LEU C C 57 175.421 175.835 -0.414 1
1 629 . 8 1 1 A 57 57 LEU CA C 57 53.437 53.771 -0.334 1
1 630 . 8 1 1 A 57 57 LEU CB C 57 44.367 43.499 0.868 1
1 634 . 8 1 1 A 57 57 LEU N N 57 124.534 126.752 -2.218 1
1 635 . 8 1 1 A 58 58 TYR H H 58 9.319 9.614 -0.295 1
1 636 . 8 1 1 A 58 58 TYR HA H 58 5.145 5.509 -0.364 1
1 643 . 8 1 1 A 58 58 TYR C C 58 174.821 174.387 0.434 1
1 644 . 8 1 1 A 58 58 TYR CA C 58 56.503 56.363 0.140 1
1 645 . 8 1 1 A 58 58 TYR CB C 58 43.323 41.874 1.449 1
1 648 . 8 1 1 A 58 58 TYR N N 58 119.746 122.744 -2.998 1
1 649 . 8 1 1 A 59 59 TYR H H 59 8.993 9.312 -0.319 1
1 650 . 8 1 1 A 59 59 TYR HA H 59 5.173 4.976 0.197 1
1 657 . 8 1 1 A 59 59 TYR C C 59 174.980 175.167 -0.187 1
1 658 . 8 1 1 A 59 59 TYR CA C 59 55.625 57.339 -1.714 1
1 659 . 8 1 1 A 59 59 TYR CB C 59 41.981 41.422 0.559 1
1 662 . 8 1 1 A 59 59 TYR N N 59 120.286 124.897 -4.611 1
1 663 . 8 1 1 A 60 60 SER H H 60 9.320 9.121 0.199 1
1 664 . 8 1 1 A 60 60 SER HA H 60 3.668 3.910 -0.242 1
1 667 . 8 1 1 A 60 60 SER C C 60 174.893 173.485 1.408 1
1 668 . 8 1 1 A 60 60 SER CA C 60 57.815 58.924 -1.109 1
1 669 . 8 1 1 A 60 60 SER CB C 60 62.602 61.676 0.926 1
1 670 . 8 1 1 A 60 60 SER N N 60 125.263 123.324 1.939 1
1 671 . 8 1 1 A 61 61 GLY H H 61 8.649 8.434 0.215 1
1 672 . 8 1 1 A 61 61 GLY HA2 H 61 4.035 3.851 0.184 1
1 673 . 8 1 1 A 61 61 GLY HA3 H 61 3.409 3.892 -0.483 1
1 674 . 8 1 1 A 61 61 GLY C C 61 173.346 173.965 -0.619 1
1 675 . 8 1 1 A 61 61 GLY CA C 61 44.726 45.129 -0.403 1
1 676 . 8 1 1 A 62 62 ILE H H 62 8.128 7.809 0.319 1
1 677 . 8 1 1 A 62 62 ILE HA H 62 4.304 4.058 0.246 1
1 687 . 8 1 1 A 62 62 ILE C C 62 174.950 175.363 -0.413 1
1 688 . 8 1 1 A 62 62 ILE CA C 62 59.396 60.312 -0.916 1
1 689 . 8 1 1 A 62 62 ILE CB C 62 39.110 37.102 2.008 1
1 693 . 8 1 1 A 62 62 ILE N N 62 123.077 122.878 0.199 1
1 694 . 8 1 1 A 63 63 GLU H H 63 8.697 8.838 -0.141 1
1 695 . 8 1 1 A 63 63 GLU HA H 63 3.534 4.087 -0.553 1
1 700 . 8 1 1 A 63 63 GLU C C 63 177.156 175.358 1.798 1
1 701 . 8 1 1 A 63 63 GLU CA C 63 55.231 56.003 -0.772 1
1 702 . 8 1 1 A 63 63 GLU CB C 63 29.804 29.662 0.142 1
1 704 . 8 1 1 A 63 63 GLU N N 63 127.682 127.936 -0.254 1
1 705 . 8 1 1 A 64 64 LEU H H 64 8.791 8.794 -0.003 1
1 706 . 8 1 1 A 64 64 LEU HA H 64 3.954 4.242 -0.288 1
1 716 . 8 1 1 A 64 64 LEU C C 64 176.428 176.711 -0.283 1
1 717 . 8 1 1 A 64 64 LEU CA C 64 52.211 54.145 -1.934 1
1 718 . 8 1 1 A 64 64 LEU CB C 64 37.239 39.813 -2.574 1
1 722 . 8 1 1 A 64 64 LEU N N 64 130.005 128.784 1.221 1
1 723 . 8 1 1 A 65 65 ALA H H 65 7.369 8.476 -1.107 1
1 724 . 8 1 1 A 65 65 ALA HA H 65 4.052 4.276 -0.224 1
1 728 . 8 1 1 A 65 65 ALA C C 65 176.322 176.916 -0.594 1
1 729 . 8 1 1 A 65 65 ALA CA C 65 53.207 52.403 0.804 1
1 730 . 8 1 1 A 65 65 ALA CB C 65 20.170 19.948 0.222 1
1 731 . 8 1 1 A 65 65 ALA N N 65 124.744 126.464 -1.720 1
1 732 . 8 1 1 A 66 66 ASP H H 66 7.472 7.549 -0.077 1
1 733 . 8 1 1 A 66 66 ASP HA H 66 4.857 4.655 0.202 1
1 736 . 8 1 1 A 66 66 ASP C C 66 175.635 175.409 0.226 1
1 737 . 8 1 1 A 66 66 ASP CA C 66 52.192 53.089 -0.897 1
1 738 . 8 1 1 A 66 66 ASP CB C 66 41.603 38.980 2.623 1
1 739 . 8 1 1 A 66 66 ASP N N 66 117.457 118.363 -0.906 1
1 740 . 8 1 1 A 67 67 ASP H H 67 8.541 8.275 0.266 1
1 741 . 8 1 1 A 67 67 ASP HA H 67 4.209 4.309 -0.100 1
1 744 . 8 1 1 A 67 67 ASP C C 67 176.292 178.557 -2.265 1
1 745 . 8 1 1 A 67 67 ASP CA C 67 56.925 57.114 -0.189 1
1 746 . 8 1 1 A 67 67 ASP CB C 67 40.835 40.264 0.571 1
1 747 . 8 1 1 A 67 67 ASP N N 67 124.544 124.779 -0.235 1
1 748 . 8 1 1 A 68 68 TYR H H 68 7.701 7.596 0.105 1
1 749 . 8 1 1 A 68 68 TYR HA H 68 4.589 4.463 0.126 1
1 756 . 8 1 1 A 68 68 TYR C C 68 175.742 176.225 -0.483 1
1 757 . 8 1 1 A 68 68 TYR CA C 68 56.622 59.161 -2.539 1
1 758 . 8 1 1 A 68 68 TYR CB C 68 37.607 37.630 -0.023 1
1 761 . 8 1 1 A 68 68 TYR N N 68 112.752 116.702 -3.950 1
1 762 . 8 1 1 A 69 69 ARG H H 69 7.182 7.541 -0.359 1
1 763 . 8 1 1 A 69 69 ARG HA H 69 4.245 4.426 -0.181 1
1 771 . 8 1 1 A 69 69 ARG C C 69 175.443 175.719 -0.276 1
1 772 . 8 1 1 A 69 69 ARG CA C 69 56.056 56.002 0.054 1
1 773 . 8 1 1 A 69 69 ARG CB C 69 31.536 30.652 0.884 1
1 776 . 8 1 1 A 69 69 ARG N N 69 122.155 123.078 -0.923 1
1 778 . 8 1 1 A 70 70 ASN H H 70 8.749 9.461 -0.712 1
1 779 . 8 1 1 A 70 70 ASN HA H 70 5.068 5.018 0.050 1
1 784 . 8 1 1 A 70 70 ASN C C 70 177.349 176.931 0.418 1
1 785 . 8 1 1 A 70 70 ASN CA C 70 52.528 52.827 -0.299 1
1 786 . 8 1 1 A 70 70 ASN CB C 70 39.856 39.319 0.537 1
1 787 . 8 1 1 A 70 70 ASN N N 70 120.300 120.690 -0.390 1
1 789 . 8 1 1 A 71 71 LEU H H 71 8.603 9.219 -0.616 1
1 790 . 8 1 1 A 71 71 LEU HA H 71 3.943 4.083 -0.140 1
1 800 . 8 1 1 A 71 71 LEU C C 71 179.470 178.866 0.604 1
1 801 . 8 1 1 A 71 71 LEU CA C 71 58.074 57.884 0.190 1
1 802 . 8 1 1 A 71 71 LEU CB C 71 39.446 41.456 -2.010 1
1 806 . 8 1 1 A 71 71 LEU N N 71 118.872 123.962 -5.090 1
1 807 . 8 1 1 A 72 72 ASN H H 72 8.561 8.740 -0.179 1
1 808 . 8 1 1 A 72 72 ASN HA H 72 4.394 4.390 0.004 1
1 813 . 8 1 1 A 72 72 ASN C C 72 178.592 177.169 1.423 1
1 814 . 8 1 1 A 72 72 ASN CA C 72 56.065 55.649 0.416 1
1 815 . 8 1 1 A 72 72 ASN CB C 72 37.663 37.244 0.419 1
1 816 . 8 1 1 A 72 72 ASN N N 72 115.744 116.341 -0.597 1
1 818 . 8 1 1 A 73 73 GLU H H 73 7.979 7.791 0.188 1
1 819 . 8 1 1 A 73 73 GLU HA H 73 4.041 3.995 0.046 1
1 824 . 8 1 1 A 73 73 GLU C C 73 177.778 178.885 -1.107 1
1 825 . 8 1 1 A 73 73 GLU CA C 73 58.680 58.976 -0.296 1
1 826 . 8 1 1 A 73 73 GLU CB C 73 29.114 29.350 -0.236 1
1 828 . 8 1 1 A 73 73 GLU N N 73 121.014 119.781 1.233 1
1 829 . 8 1 1 A 74 74 TYR H H 74 7.500 7.301 0.199 1
1 830 . 8 1 1 A 74 74 TYR HA H 74 4.567 4.569 -0.002 1
1 837 . 8 1 1 A 74 74 TYR C C 74 175.592 176.069 -0.477 1
1 838 . 8 1 1 A 74 74 TYR CA C 74 58.790 58.672 0.118 1
1 839 . 8 1 1 A 74 74 TYR CB C 74 39.440 38.697 0.743 1
1 842 . 8 1 1 A 74 74 TYR N N 74 115.573 117.027 -1.454 1
1 843 . 8 1 1 A 75 75 GLY H H 75 7.702 7.670 0.032 1
1 844 . 8 1 1 A 75 75 GLY HA2 H 75 4.274 4.074 0.200 1
1 845 . 8 1 1 A 75 75 GLY HA3 H 75 3.749 4.149 -0.400 1
1 846 . 8 1 1 A 75 75 GLY C C 75 174.007 174.632 -0.625 1
1 847 . 8 1 1 A 75 75 GLY CA C 75 45.133 45.093 0.040 1
1 848 . 8 1 1 A 75 75 GLY N N 75 105.620 106.428 -0.808 1
1 849 . 8 1 1 A 76 76 ILE H H 76 6.628 7.536 -0.908 1
1 850 . 8 1 1 A 76 76 ILE HA H 76 3.170 3.704 -0.534 1
1 860 . 8 1 1 A 76 76 ILE C C 76 174.607 175.544 -0.937 1
1 861 . 8 1 1 A 76 76 ILE CA C 76 62.037 61.587 0.450 1
1 862 . 8 1 1 A 76 76 ILE CB C 76 36.805 37.316 -0.511 1
1 866 . 8 1 1 A 76 76 ILE N N 76 120.041 122.428 -2.387 1
1 867 . 8 1 1 A 77 77 THR H H 77 8.437 8.658 -0.221 1
1 868 . 8 1 1 A 77 77 THR HA H 77 4.420 4.717 -0.297 1
1 873 . 8 1 1 A 77 77 THR C C 77 172.893 172.186 0.707 1
1 874 . 8 1 1 A 77 77 THR CA C 77 58.687 59.521 -0.834 1
1 875 . 8 1 1 A 77 77 THR CB C 77 70.917 70.928 -0.011 1
1 877 . 8 1 1 A 77 77 THR N N 77 121.014 120.392 0.622 1
1 878 . 8 1 1 A 78 78 GLU H H 78 8.235 8.527 -0.292 1
1 879 . 8 1 1 A 78 78 GLU HA H 78 4.088 3.959 0.129 1
1 884 . 8 1 1 A 78 78 GLU C C 78 177.242 177.435 -0.193 1
1 885 . 8 1 1 A 78 78 GLU CA C 78 58.254 58.362 -0.108 1
1 886 . 8 1 1 A 78 78 GLU CB C 78 29.336 29.446 -0.110 1
1 888 . 8 1 1 A 78 78 GLU N N 78 121.643 123.511 -1.868 1
1 889 . 8 1 1 A 79 79 PHE H H 79 9.152 8.587 0.565 1
1 890 . 8 1 1 A 79 79 PHE HA H 79 4.363 3.982 0.381 1
1 895 . 8 1 1 A 79 79 PHE C C 79 176.385 174.449 1.936 1
1 896 . 8 1 1 A 79 79 PHE CA C 79 59.552 59.173 0.379 1
1 897 . 8 1 1 A 79 79 PHE CB C 79 36.282 35.855 0.427 1
1 899 . 8 1 1 A 79 79 PHE N N 79 118.909 120.463 -1.554 1
1 900 . 8 1 1 A 80 80 SER H H 80 8.341 7.684 0.657 1
1 901 . 8 1 1 A 80 80 SER HA H 80 4.576 4.770 -0.194 1
1 904 . 8 1 1 A 80 80 SER C C 80 171.629 173.599 -1.970 1
1 905 . 8 1 1 A 80 80 SER CA C 80 61.398 58.050 3.348 1
1 906 . 8 1 1 A 80 80 SER CB C 80 64.796 64.651 0.145 1
1 907 . 8 1 1 A 80 80 SER N N 80 118.396 113.419 4.977 1
1 908 . 8 1 1 A 81 81 GLU H H 81 8.692 8.730 -0.038 1
1 909 . 8 1 1 A 81 81 GLU HA H 81 5.115 4.794 0.321 1
1 914 . 8 1 1 A 81 81 GLU C C 81 174.993 175.283 -0.290 1
1 915 . 8 1 1 A 81 81 GLU CA C 81 54.749 55.678 -0.929 1
1 916 . 8 1 1 A 81 81 GLU CB C 81 31.666 31.242 0.424 1
1 918 . 8 1 1 A 81 81 GLU N N 81 122.155 124.386 -2.231 1
1 919 . 8 1 1 A 82 82 ILE H H 82 9.335 9.538 -0.203 1
1 920 . 8 1 1 A 82 82 ILE HA H 82 4.796 4.720 0.076 1
1 930 . 8 1 1 A 82 82 ILE C C 82 174.350 174.765 -0.415 1
1 931 . 8 1 1 A 82 82 ILE CA C 82 58.543 59.830 -1.287 1
1 932 . 8 1 1 A 82 82 ILE CB C 82 39.050 39.411 -0.361 1
1 936 . 8 1 1 A 82 82 ILE N N 82 127.389 128.827 -1.438 1
1 937 . 8 1 1 A 83 83 VAL H H 83 9.136 9.331 -0.195 1
1 938 . 8 1 1 A 83 83 VAL HA H 83 4.359 4.480 -0.121 1
1 946 . 8 1 1 A 83 83 VAL C C 83 174.971 175.021 -0.050 1
1 947 . 8 1 1 A 83 83 VAL CA C 83 61.756 61.766 -0.010 1
1 948 . 8 1 1 A 83 83 VAL CB C 83 33.537 32.517 1.020 1
1 951 . 8 1 1 A 83 83 VAL N N 83 128.322 128.894 -0.572 1
1 952 . 8 1 1 A 84 84 VAL H H 84 8.019 8.896 -0.877 1
1 953 . 8 1 1 A 84 84 VAL HA H 84 4.524 4.725 -0.201 1
1 961 . 8 1 1 A 84 84 VAL C C 84 175.090 174.992 0.098 1
1 962 . 8 1 1 A 84 84 VAL CA C 84 61.268 60.823 0.445 1
1 963 . 8 1 1 A 84 84 VAL CB C 84 32.543 32.455 0.088 1
1 966 . 8 1 1 A 84 84 VAL N N 84 125.746 128.072 -2.326 1
1 967 . 8 1 1 A 85 85 PHE H H 85 9.165 8.964 0.201 1
1 968 . 8 1 1 A 85 85 PHE HA H 85 4.795 4.976 -0.181 1
1 976 . 8 1 1 A 85 85 PHE C C 85 174.414 174.945 -0.531 1
1 977 . 8 1 1 A 85 85 PHE CA C 85 55.636 56.445 -0.809 1
1 978 . 8 1 1 A 85 85 PHE CB C 85 41.618 41.077 0.541 1
1 982 . 8 1 1 A 85 85 PHE N N 85 126.921 126.139 0.782 1
1 983 . 8 1 1 A 86 86 LEU H H 86 8.314 9.056 -0.742 1
1 984 . 8 1 1 A 86 86 LEU HA H 86 5.103 4.756 0.347 1
1 994 . 8 1 1 A 86 86 LEU C C 86 177.221 176.822 0.399 1
1 995 . 8 1 1 A 86 86 LEU CA C 86 52.667 53.510 -0.843 1
1 996 . 8 1 1 A 86 86 LEU CB C 86 42.493 42.107 0.386 1
1 1000 . 8 1 1 A 86 86 LEU N N 86 122.166 123.931 -1.765 1
1 1001 . 8 1 1 A 87 87 LYS H H 87 9.006 9.022 -0.016 1
1 1002 . 8 1 1 A 87 87 LYS HA H 87 4.276 4.405 -0.129 1
1 1011 . 8 1 1 A 87 87 LYS C C 87 176.685 176.562 0.123 1
1 1012 . 8 1 1 A 87 87 LYS CA C 87 56.069 56.842 -0.773 1
1 1013 . 8 1 1 A 87 87 LYS CB C 87 33.751 33.095 0.656 1
1 1017 . 8 1 1 A 87 87 LYS N N 87 124.552 125.355 -0.803 1
1 1018 . 8 1 1 A 88 88 SER H H 88 8.640 7.372 1.268 1
1 1019 . 8 1 1 A 88 88 SER HA H 88 4.461 4.996 -0.535 1
1 1022 . 8 1 1 A 88 88 SER C C 88 174.671 173.527 1.144 1
1 1023 . 8 1 1 A 88 88 SER CA C 88 58.244 57.498 0.746 1
1 1024 . 8 1 1 A 88 88 SER CB C 88 63.518 65.240 -1.722 1
1 1025 . 8 1 1 A 88 88 SER N N 88 118.741 115.482 3.259 1
1 1026 . 8 1 1 A 89 89 ILE H H 89 8.401 8.777 -0.376 1
1 1027 . 8 1 1 A 89 89 ILE HA H 89 4.173 4.705 -0.532 1
1 1037 . 8 1 1 A 89 89 ILE C C 89 175.828 175.800 0.028 1
1 1038 . 8 1 1 A 89 89 ILE CA C 89 61.240 60.101 1.139 1
1 1039 . 8 1 1 A 89 89 ILE CB C 89 38.930 39.128 -0.198 1
1 1043 . 8 1 1 A 89 89 ILE N N 89 122.196 122.854 -0.658 1
1 1044 . 8 1 1 A 90 90 ASN H H 90 8.479 8.569 -0.090 1
1 1045 . 8 1 1 A 90 90 ASN HA H 90 4.709 5.482 -0.773 1
1 1050 . 8 1 1 A 90 90 ASN C C 90 174.971 174.752 0.219 1
1 1051 . 8 1 1 A 90 90 ASN CA C 90 52.863 51.743 1.120 1
1 1052 . 8 1 1 A 90 90 ASN CB C 90 38.726 40.919 -2.193 1
1 1053 . 8 1 1 A 90 90 ASN N N 90 122.645 122.121 0.524 1
1 1055 . 8 1 1 A 91 91 ARG H H 91 8.340 9.112 -0.772 1
1 1056 . 8 1 1 A 91 91 ARG HA H 91 4.321 4.548 -0.227 1
1 1063 . 8 1 1 A 91 91 ARG C C 91 175.850 176.595 -0.745 1
1 1064 . 8 1 1 A 91 91 ARG CA C 91 55.708 57.224 -1.516 1
1 1065 . 8 1 1 A 91 91 ARG CB C 91 30.704 31.877 -1.173 1
1 1068 . 8 1 1 A 91 91 ARG N N 91 122.190 121.366 0.824 1
1 1069 . 8 1 1 A 92 92 ALA H H 92 8.310 8.138 0.172 1
1 1070 . 8 1 1 A 92 92 ALA HA H 92 4.292 4.409 -0.117 1
1 1074 . 8 1 1 A 92 92 ALA C C 92 177.456 177.313 0.143 1
1 1075 . 8 1 1 A 92 92 ALA CA C 92 52.524 52.923 -0.399 1
1 1076 . 8 1 1 A 92 92 ALA CB C 92 19.254 20.020 -0.766 1
1 1077 . 8 1 1 A 92 92 ALA N N 92 125.492 120.859 4.633 1
1 1078 . 8 1 1 A 93 93 LYS H H 93 8.189 7.578 0.611 1
1 1079 . 8 1 1 A 93 93 LYS HA H 93 4.318 4.805 -0.487 1
1 1088 . 8 1 1 A 93 93 LYS C C 93 175.357 173.297 2.060 1
1 1089 . 8 1 1 A 93 93 LYS CA C 93 56.059 55.903 0.156 1
1 1090 . 8 1 1 A 93 93 LYS CB C 93 33.101 35.993 -2.892 1
1 1094 . 8 1 1 A 93 93 LYS N N 93 120.307 117.077 3.230 1
1 1 . 9 1 1 A 11 11 ALA HA H 11 4.252 4.306 -0.054 1
1 5 . 9 1 1 A 11 11 ALA CA C 11 52.471 51.486 0.985 1
1 6 . 9 1 1 A 11 11 ALA CB C 11 19.020 20.296 -1.276 1
1 7 . 9 1 1 A 12 12 ALA H H 12 8.179 8.454 -0.275 1
1 8 . 9 1 1 A 12 12 ALA HA H 12 4.291 4.783 -0.492 1
1 12 . 9 1 1 A 12 12 ALA C C 12 177.662 176.538 1.124 1
1 13 . 9 1 1 A 12 12 ALA CA C 12 52.444 51.174 1.270 1
1 14 . 9 1 1 A 12 12 ALA CB C 12 18.943 20.197 -1.254 1
1 15 . 9 1 1 A 12 12 ALA N N 12 123.114 124.693 -1.579 1
1 16 . 9 1 1 A 13 13 VAL H H 13 8.006 8.536 -0.530 1
1 17 . 9 1 1 A 13 13 VAL HA H 13 4.100 4.702 -0.602 1
1 25 . 9 1 1 A 13 13 VAL C C 13 175.990 173.777 2.213 1
1 26 . 9 1 1 A 13 13 VAL CA C 13 62.182 60.230 1.952 1
1 27 . 9 1 1 A 13 13 VAL CB C 13 32.442 35.491 -3.049 1
1 29 . 9 1 1 A 13 13 VAL N N 13 119.213 121.188 -1.975 1
1 30 . 9 1 1 A 14 14 ARG H H 14 8.329 8.614 -0.285 1
1 31 . 9 1 1 A 14 14 ARG HA H 14 4.344 4.742 -0.398 1
1 38 . 9 1 1 A 14 14 ARG C C 14 175.844 175.676 0.168 1
1 39 . 9 1 1 A 14 14 ARG CA C 14 56.071 55.231 0.840 1
1 40 . 9 1 1 A 14 14 ARG CB C 14 31.099 31.554 -0.455 1
1 43 . 9 1 1 A 14 14 ARG N N 14 125.039 127.750 -2.711 1
1 44 . 9 1 1 A 15 15 LYS H H 15 8.147 8.502 -0.355 1
1 45 . 9 1 1 A 15 15 LYS HA H 15 4.552 4.352 0.200 1
1 54 . 9 1 1 A 15 15 LYS C C 15 176.186 177.003 -0.817 1
1 55 . 9 1 1 A 15 15 LYS CA C 15 55.632 56.486 -0.854 1
1 56 . 9 1 1 A 15 15 LYS CB C 15 33.543 33.085 0.458 1
1 60 . 9 1 1 A 15 15 LYS N N 15 121.711 123.076 -1.365 1
1 61 . 9 1 1 A 16 16 ILE H H 16 8.764 8.746 0.018 1
1 62 . 9 1 1 A 16 16 ILE HA H 16 4.508 4.647 -0.139 1
1 72 . 9 1 1 A 16 16 ILE C C 16 174.333 174.643 -0.310 1
1 73 . 9 1 1 A 16 16 ILE CA C 16 59.343 59.440 -0.097 1
1 74 . 9 1 1 A 16 16 ILE CB C 16 41.575 39.421 2.154 1
1 78 . 9 1 1 A 16 16 ILE N N 16 116.484 119.033 -2.549 1
1 79 . 9 1 1 A 17 17 HIS H H 17 8.659 9.061 -0.402 1
1 80 . 9 1 1 A 17 17 HIS HA H 17 5.130 4.914 0.216 1
1 85 . 9 1 1 A 17 17 HIS C C 17 174.788 174.671 0.117 1
1 86 . 9 1 1 A 17 17 HIS CA C 17 55.562 54.454 1.108 1
1 87 . 9 1 1 A 17 17 HIS CB C 17 30.047 29.175 0.872 1
1 90 . 9 1 1 A 17 17 HIS N N 17 119.826 122.431 -2.605 1
1 93 . 9 1 1 A 18 18 VAL H H 18 8.788 8.471 0.317 1
1 94 . 9 1 1 A 18 18 VAL HA H 18 4.681 4.518 0.163 1
1 102 . 9 1 1 A 18 18 VAL C C 18 174.631 175.415 -0.784 1
1 103 . 9 1 1 A 18 18 VAL CA C 18 59.568 61.423 -1.855 1
1 104 . 9 1 1 A 18 18 VAL CB C 18 34.191 32.750 1.441 1
1 107 . 9 1 1 A 18 18 VAL N N 18 117.203 120.900 -3.697 1
1 108 . 9 1 1 A 19 19 THR H H 19 8.746 8.978 -0.232 1
1 109 . 9 1 1 A 19 19 THR HA H 19 4.603 4.777 -0.174 1
1 114 . 9 1 1 A 19 19 THR C C 19 172.422 174.103 -1.681 1
1 115 . 9 1 1 A 19 19 THR CA C 19 62.159 62.144 0.015 1
1 116 . 9 1 1 A 19 19 THR CB C 19 69.640 69.289 0.351 1
1 118 . 9 1 1 A 19 19 THR N N 19 121.216 122.585 -1.369 1
1 119 . 9 1 1 A 20 20 VAL H H 20 9.268 9.135 0.133 1
1 120 . 9 1 1 A 20 20 VAL HA H 20 4.426 4.377 0.049 1
1 128 . 9 1 1 A 20 20 VAL C C 20 174.013 174.752 -0.739 1
1 129 . 9 1 1 A 20 20 VAL CA C 20 61.312 61.548 -0.236 1
1 130 . 9 1 1 A 20 20 VAL CB C 20 31.567 31.860 -0.293 1
1 133 . 9 1 1 A 20 20 VAL N N 20 128.437 127.801 0.636 1
1 134 . 9 1 1 A 21 21 LYS H H 21 9.147 8.933 0.214 1
1 135 . 9 1 1 A 21 21 LYS HA H 21 4.759 4.754 0.005 1
1 144 . 9 1 1 A 21 21 LYS C C 21 175.935 175.047 0.888 1
1 145 . 9 1 1 A 21 21 LYS CA C 21 55.384 54.995 0.389 1
1 146 . 9 1 1 A 21 21 LYS CB C 21 34.197 33.036 1.161 1
1 150 . 9 1 1 A 21 21 LYS N N 21 126.951 128.030 -1.079 1
1 151 . 9 1 1 A 22 22 PHE H H 22 8.938 8.881 0.057 1
1 152 . 9 1 1 A 22 22 PHE HA H 22 4.846 4.700 0.146 1
1 158 . 9 1 1 A 22 22 PHE C C 22 174.843 175.771 -0.928 1
1 159 . 9 1 1 A 22 22 PHE CA C 22 56.918 56.017 0.901 1
1 160 . 9 1 1 A 22 22 PHE CB C 22 39.021 40.418 -1.397 1
1 163 . 9 1 1 A 22 22 PHE N N 22 127.843 123.912 3.931 1
1 164 . 9 1 1 A 23 23 PRO HA H 23 4.192 4.394 -0.202 1
1 171 . 9 1 1 A 23 23 PRO C C 23 177.813 177.080 0.733 1
1 172 . 9 1 1 A 23 23 PRO CA C 23 66.150 65.054 1.096 1
1 173 . 9 1 1 A 23 23 PRO CB C 23 31.588 31.887 -0.299 1
1 176 . 9 1 1 A 24 24 SER H H 24 8.115 8.457 -0.342 1
1 177 . 9 1 1 A 24 24 SER HA H 24 4.772 4.719 0.053 1
1 180 . 9 1 1 A 24 24 SER C C 24 173.836 173.477 0.359 1
1 181 . 9 1 1 A 24 24 SER CA C 24 56.928 58.474 -1.546 1
1 182 . 9 1 1 A 24 24 SER CB C 24 64.789 64.829 -0.040 1
1 183 . 9 1 1 A 24 24 SER N N 24 106.127 111.982 -5.855 1
1 184 . 9 1 1 A 25 25 LYS H H 25 7.321 7.885 -0.564 1
1 185 . 9 1 1 A 25 25 LYS HA H 25 4.739 4.698 0.041 1
1 194 . 9 1 1 A 25 25 LYS C C 25 172.915 174.271 -1.356 1
1 195 . 9 1 1 A 25 25 LYS CA C 25 55.863 55.073 0.790 1
1 196 . 9 1 1 A 25 25 LYS CB C 25 34.621 34.972 -0.351 1
1 200 . 9 1 1 A 25 25 LYS N N 25 118.386 116.477 1.909 1
1 201 . 9 1 1 A 26 26 GLN H H 26 8.566 8.688 -0.122 1
1 202 . 9 1 1 A 26 26 GLN HA H 26 5.708 5.139 0.569 1
1 209 . 9 1 1 A 26 26 GLN C C 26 174.179 174.110 0.069 1
1 210 . 9 1 1 A 26 26 GLN CA C 26 53.888 55.102 -1.214 1
1 211 . 9 1 1 A 26 26 GLN CB C 26 32.884 32.030 0.854 1
1 213 . 9 1 1 A 26 26 GLN N N 26 117.444 119.696 -2.252 1
1 215 . 9 1 1 A 27 27 PHE H H 27 8.564 8.372 0.192 1
1 216 . 9 1 1 A 27 27 PHE HA H 27 5.085 5.498 -0.413 1
1 224 . 9 1 1 A 27 27 PHE C C 27 173.234 172.481 0.753 1
1 225 . 9 1 1 A 27 27 PHE CA C 27 55.993 55.735 0.258 1
1 226 . 9 1 1 A 27 27 PHE CB C 27 40.088 41.995 -1.907 1
1 230 . 9 1 1 A 27 27 PHE N N 27 117.565 121.071 -3.506 1
1 231 . 9 1 1 A 28 28 THR H H 28 8.801 8.844 -0.043 1
1 232 . 9 1 1 A 28 28 THR HA H 28 5.419 5.451 -0.032 1
1 237 . 9 1 1 A 28 28 THR C C 28 174.650 173.606 1.044 1
1 238 . 9 1 1 A 28 28 THR CA C 28 61.203 61.393 -0.190 1
1 239 . 9 1 1 A 28 28 THR CB C 28 70.508 71.578 -1.070 1
1 241 . 9 1 1 A 28 28 THR N N 28 115.093 114.803 0.290 1
1 242 . 9 1 1 A 29 29 VAL H H 29 8.983 9.193 -0.210 1
1 243 . 9 1 1 A 29 29 VAL HA H 29 4.549 4.798 -0.249 1
1 251 . 9 1 1 A 29 29 VAL C C 29 173.686 174.638 -0.952 1
1 252 . 9 1 1 A 29 29 VAL CA C 29 60.118 60.667 -0.549 1
1 253 . 9 1 1 A 29 29 VAL CB C 29 35.498 35.005 0.493 1
1 256 . 9 1 1 A 29 29 VAL N N 29 121.743 125.249 -3.506 1
1 257 . 9 1 1 A 30 30 GLU H H 30 8.460 8.719 -0.259 1
1 258 . 9 1 1 A 30 30 GLU HA H 30 4.894 4.674 0.220 1
1 263 . 9 1 1 A 30 30 GLU C C 30 175.807 175.958 -0.151 1
1 264 . 9 1 1 A 30 30 GLU CA C 30 54.922 55.781 -0.859 1
1 265 . 9 1 1 A 30 30 GLU CB C 30 31.123 30.476 0.647 1
1 267 . 9 1 1 A 30 30 GLU N N 30 125.512 127.154 -1.642 1
1 268 . 9 1 1 A 31 31 VAL H H 31 8.917 8.567 0.350 1
1 269 . 9 1 1 A 31 31 VAL HA H 31 4.634 4.747 -0.113 1
1 277 . 9 1 1 A 31 31 VAL C C 31 174.136 173.911 0.225 1
1 278 . 9 1 1 A 31 31 VAL CA C 31 58.299 58.817 -0.518 1
1 279 . 9 1 1 A 31 31 VAL CB C 31 35.067 35.447 -0.380 1
1 282 . 9 1 1 A 31 31 VAL N N 31 118.900 117.986 0.914 1
1 283 . 9 1 1 A 32 32 ASP H H 32 9.032 8.640 0.392 1
1 284 . 9 1 1 A 32 32 ASP HA H 32 4.943 4.588 0.355 1
1 287 . 9 1 1 A 32 32 ASP C C 32 177.992 177.137 0.855 1
1 288 . 9 1 1 A 32 32 ASP CA C 32 53.428 53.797 -0.369 1
1 289 . 9 1 1 A 32 32 ASP CB C 32 42.939 42.105 0.834 1
1 290 . 9 1 1 A 32 32 ASP N N 32 121.708 124.493 -2.785 1
1 291 . 9 1 1 A 33 33 ARG H H 33 8.847 8.766 0.081 1
1 292 . 9 1 1 A 33 33 ARG HA H 33 3.952 4.031 -0.079 1
1 299 . 9 1 1 A 33 33 ARG C C 33 176.257 177.317 -1.060 1
1 300 . 9 1 1 A 33 33 ARG CA C 33 59.113 58.282 0.831 1
1 301 . 9 1 1 A 33 33 ARG CB C 33 30.011 30.198 -0.187 1
1 304 . 9 1 1 A 33 33 ARG N N 33 121.873 125.538 -3.665 1
1 305 . 9 1 1 A 34 34 THR H H 34 8.058 8.242 -0.184 1
1 306 . 9 1 1 A 34 34 THR HA H 34 4.350 4.482 -0.132 1
1 311 . 9 1 1 A 34 34 THR C C 34 174.371 174.357 0.014 1
1 312 . 9 1 1 A 34 34 THR CA C 34 60.432 61.867 -1.435 1
1 313 . 9 1 1 A 34 34 THR CB C 34 68.739 69.310 -0.571 1
1 315 . 9 1 1 A 34 34 THR N N 34 104.720 106.429 -1.709 1
1 316 . 9 1 1 A 35 35 GLU H H 35 7.473 7.544 -0.071 1
1 317 . 9 1 1 A 35 35 GLU HA H 35 4.239 4.232 0.007 1
1 322 . 9 1 1 A 35 35 GLU C C 35 176.021 175.935 0.086 1
1 323 . 9 1 1 A 35 35 GLU CA C 35 56.921 56.906 0.015 1
1 324 . 9 1 1 A 35 35 GLU CB C 35 31.086 30.028 1.058 1
1 326 . 9 1 1 A 35 35 GLU N N 35 123.129 123.898 -0.769 1
1 327 . 9 1 1 A 36 36 THR H H 36 8.432 8.628 -0.196 1
1 328 . 9 1 1 A 36 36 THR HA H 36 4.987 5.007 -0.020 1
1 333 . 9 1 1 A 36 36 THR C C 36 175.939 176.144 -0.205 1
1 334 . 9 1 1 A 36 36 THR CA C 36 60.249 60.938 -0.689 1
1 335 . 9 1 1 A 36 36 THR CB C 36 71.783 70.747 1.036 1
1 337 . 9 1 1 A 36 36 THR N N 36 112.476 116.271 -3.795 1
1 338 . 9 1 1 A 37 37 VAL H H 37 8.087 9.114 -1.027 1
1 339 . 9 1 1 A 37 37 VAL HA H 37 3.411 3.644 -0.233 1
1 347 . 9 1 1 A 37 37 VAL C C 37 178.249 177.777 0.472 1
1 348 . 9 1 1 A 37 37 VAL CA C 37 67.397 66.551 0.846 1
1 349 . 9 1 1 A 37 37 VAL CB C 37 31.567 31.416 0.151 1
1 352 . 9 1 1 A 37 37 VAL N N 37 121.215 122.844 -1.629 1
1 353 . 9 1 1 A 38 38 SER H H 38 8.863 7.702 1.161 1
1 354 . 9 1 1 A 38 38 SER HA H 38 4.760 4.098 0.662 1
1 357 . 9 1 1 A 38 38 SER C C 38 176.814 176.912 -0.098 1
1 358 . 9 1 1 A 38 38 SER CA C 38 57.746 61.380 -3.634 1
1 359 . 9 1 1 A 38 38 SER CB C 38 62.627 63.107 -0.480 1
1 360 . 9 1 1 A 38 38 SER N N 38 112.752 116.582 -3.830 1
1 361 . 9 1 1 A 39 39 SER H H 39 7.999 7.598 0.401 1
1 362 . 9 1 1 A 39 39 SER HA H 39 4.318 4.282 0.036 1
1 365 . 9 1 1 A 39 39 SER C C 39 177.692 177.076 0.616 1
1 366 . 9 1 1 A 39 39 SER CA C 39 61.338 61.224 0.114 1
1 367 . 9 1 1 A 39 39 SER CB C 39 62.349 63.023 -0.674 1
1 368 . 9 1 1 A 39 39 SER N N 39 117.918 115.858 2.060 1
1 369 . 9 1 1 A 40 40 LEU H H 40 8.227 8.286 -0.059 1
1 370 . 9 1 1 A 40 40 LEU HA H 40 4.104 4.040 0.064 1
1 380 . 9 1 1 A 40 40 LEU C C 40 178.420 178.783 -0.363 1
1 381 . 9 1 1 A 40 40 LEU CA C 40 58.235 58.312 -0.077 1
1 382 . 9 1 1 A 40 40 LEU CB C 40 40.797 41.787 -0.990 1
1 386 . 9 1 1 A 40 40 LEU N N 40 123.592 122.953 0.639 1
1 387 . 9 1 1 A 41 41 LYS H H 41 8.470 8.242 0.228 1
1 388 . 9 1 1 A 41 41 LYS HA H 41 3.824 3.874 -0.050 1
1 397 . 9 1 1 A 41 41 LYS C C 41 178.476 178.921 -0.445 1
1 398 . 9 1 1 A 41 41 LYS CA C 41 61.313 60.493 0.820 1
1 399 . 9 1 1 A 41 41 LYS CB C 41 32.414 32.262 0.152 1
1 403 . 9 1 1 A 41 41 LYS N N 41 118.401 118.501 -0.100 1
1 404 . 9 1 1 A 42 42 ASP H H 42 7.956 8.147 -0.191 1
1 405 . 9 1 1 A 42 42 ASP HA H 42 4.447 4.356 0.091 1
1 408 . 9 1 1 A 42 42 ASP C C 42 178.806 178.925 -0.119 1
1 409 . 9 1 1 A 42 42 ASP CA C 42 57.802 57.645 0.157 1
1 410 . 9 1 1 A 42 42 ASP CB C 42 40.585 41.553 -0.968 1
1 411 . 9 1 1 A 42 42 ASP N N 42 119.295 120.356 -1.061 1
1 412 . 9 1 1 A 43 43 LYS H H 43 8.024 7.934 0.090 1
1 413 . 9 1 1 A 43 43 LYS HA H 43 4.039 4.107 -0.068 1
1 422 . 9 1 1 A 43 43 LYS C C 43 179.941 179.453 0.488 1
1 423 . 9 1 1 A 43 43 LYS CA C 43 60.014 59.733 0.281 1
1 424 . 9 1 1 A 43 43 LYS CB C 43 32.865 32.557 0.308 1
1 428 . 9 1 1 A 43 43 LYS N N 43 119.784 118.618 1.166 1
1 429 . 9 1 1 A 44 44 ILE H H 44 8.480 8.149 0.331 1
1 430 . 9 1 1 A 44 44 ILE HA H 44 3.702 3.869 -0.167 1
1 440 . 9 1 1 A 44 44 ILE C C 44 177.328 178.488 -1.160 1
1 441 . 9 1 1 A 44 44 ILE CA C 44 65.725 65.085 0.640 1
1 442 . 9 1 1 A 44 44 ILE CB C 44 38.110 37.450 0.660 1
1 446 . 9 1 1 A 44 44 ILE N N 44 119.363 120.289 -0.926 1
1 447 . 9 1 1 A 45 45 HIS H H 45 8.635 8.334 0.301 1
1 448 . 9 1 1 A 45 45 HIS HA H 45 4.471 4.226 0.245 1
1 453 . 9 1 1 A 45 45 HIS C C 45 176.407 176.945 -0.538 1
1 454 . 9 1 1 A 45 45 HIS CA C 45 58.451 59.414 -0.963 1
1 455 . 9 1 1 A 45 45 HIS CB C 45 28.055 29.772 -1.717 1
1 458 . 9 1 1 A 45 45 HIS N N 45 118.889 119.990 -1.101 1
1 461 . 9 1 1 A 46 46 ILE H H 46 7.868 7.630 0.238 1
1 462 . 9 1 1 A 46 46 ILE HA H 46 3.571 3.650 -0.079 1
1 472 . 9 1 1 A 46 46 ILE C C 46 177.371 178.409 -1.038 1
1 473 . 9 1 1 A 46 46 ILE CA C 46 63.925 63.711 0.214 1
1 474 . 9 1 1 A 46 46 ILE CB C 46 37.704 36.567 1.137 1
1 478 . 9 1 1 A 46 46 ILE N N 46 118.414 119.321 -0.907 1
1 479 . 9 1 1 A 47 47 VAL H H 47 7.223 7.190 0.033 1
1 480 . 9 1 1 A 47 47 VAL HA H 47 3.684 3.677 0.007 1
1 488 . 9 1 1 A 47 47 VAL C C 47 176.706 176.226 0.480 1
1 489 . 9 1 1 A 47 47 VAL CA C 47 64.807 64.973 -0.166 1
1 490 . 9 1 1 A 47 47 VAL CB C 47 32.209 32.407 -0.198 1
1 493 . 9 1 1 A 47 47 VAL N N 47 116.982 119.140 -2.158 1
1 494 . 9 1 1 A 48 48 GLU H H 48 8.090 8.347 -0.257 1
1 495 . 9 1 1 A 48 48 GLU HA H 48 4.271 4.470 -0.199 1
1 500 . 9 1 1 A 48 48 GLU C C 48 176.042 176.375 -0.333 1
1 501 . 9 1 1 A 48 48 GLU CA C 48 55.062 55.510 -0.448 1
1 502 . 9 1 1 A 48 48 GLU CB C 48 31.544 31.461 0.083 1
1 504 . 9 1 1 A 48 48 GLU N N 48 118.849 119.579 -0.730 1
1 505 . 9 1 1 A 49 49 ASN H H 49 8.113 8.618 -0.505 1
1 506 . 9 1 1 A 49 49 ASN HA H 49 4.137 4.634 -0.497 1
1 511 . 9 1 1 A 49 49 ASN C C 49 174.993 175.482 -0.489 1
1 512 . 9 1 1 A 49 49 ASN CA C 49 54.287 53.856 0.431 1
1 513 . 9 1 1 A 49 49 ASN CB C 49 37.647 38.851 -1.204 1
1 514 . 9 1 1 A 49 49 ASN N N 49 118.695 120.045 -1.350 1
1 516 . 9 1 1 A 50 50 THR H H 50 7.780 7.097 0.683 1
1 517 . 9 1 1 A 50 50 THR HA H 50 4.483 4.433 0.050 1
1 522 . 9 1 1 A 50 50 THR C C 50 173.107 172.928 0.179 1
1 523 . 9 1 1 A 50 50 THR CA C 50 61.094 60.952 0.142 1
1 524 . 9 1 1 A 50 50 THR CB C 50 70.926 69.424 1.502 1
1 526 . 9 1 1 A 50 50 THR N N 50 118.434 116.329 2.105 1
1 527 . 9 1 1 A 51 51 PRO HA H 51 4.485 4.758 -0.273 1
1 534 . 9 1 1 A 51 51 PRO C C 51 178.067 177.603 0.464 1
1 535 . 9 1 1 A 51 51 PRO CA C 51 63.075 63.066 0.009 1
1 536 . 9 1 1 A 51 51 PRO CB C 51 31.996 32.820 -0.824 1
1 539 . 9 1 1 A 52 52 ILE H H 52 8.530 8.318 0.212 1
1 540 . 9 1 1 A 52 52 ILE HA H 52 3.764 3.904 -0.140 1
1 550 . 9 1 1 A 52 52 ILE C C 52 179.363 177.891 1.472 1
1 551 . 9 1 1 A 52 52 ILE CA C 52 64.855 63.883 0.972 1
1 552 . 9 1 1 A 52 52 ILE CB C 52 38.109 37.339 0.770 1
1 556 . 9 1 1 A 52 52 ILE N N 52 125.501 122.719 2.782 1
1 557 . 9 1 1 A 53 53 LYS H H 53 8.603 7.980 0.623 1
1 558 . 9 1 1 A 53 53 LYS HA H 53 4.180 4.164 0.016 1
1 567 . 9 1 1 A 53 53 LYS C C 53 177.113 178.478 -1.365 1
1 568 . 9 1 1 A 53 53 LYS CA C 53 57.816 59.427 -1.611 1
1 569 . 9 1 1 A 53 53 LYS CB C 53 31.992 32.428 -0.436 1
1 573 . 9 1 1 A 53 53 LYS N N 53 117.464 120.984 -3.520 1
1 574 . 9 1 1 A 54 54 ARG H H 54 7.479 7.817 -0.338 1
1 575 . 9 1 1 A 54 54 ARG HA H 54 4.361 4.238 0.123 1
1 582 . 9 1 1 A 54 54 ARG C C 54 175.507 175.964 -0.457 1
1 583 . 9 1 1 A 54 54 ARG CA C 54 56.051 58.181 -2.130 1
1 584 . 9 1 1 A 54 54 ARG CB C 54 31.559 31.098 0.461 1
1 587 . 9 1 1 A 54 54 ARG N N 54 114.601 119.317 -4.716 1
1 588 . 9 1 1 A 55 55 MET H H 55 7.479 7.489 -0.010 1
1 589 . 9 1 1 A 55 55 MET HA H 55 4.435 5.054 -0.619 1
1 597 . 9 1 1 A 55 55 MET C C 55 175.276 174.552 0.724 1
1 598 . 9 1 1 A 55 55 MET CA C 55 57.365 53.653 3.712 1
1 599 . 9 1 1 A 55 55 MET CB C 55 35.142 34.400 0.742 1
1 602 . 9 1 1 A 55 55 MET N N 55 116.986 115.185 1.801 1
1 603 . 9 1 1 A 56 56 GLN H H 56 8.958 9.252 -0.294 1
1 604 . 9 1 1 A 56 56 GLN HA H 56 4.502 5.063 -0.561 1
1 611 . 9 1 1 A 56 56 GLN C C 56 173.429 174.583 -1.154 1
1 612 . 9 1 1 A 56 56 GLN CA C 56 54.982 54.159 0.823 1
1 613 . 9 1 1 A 56 56 GLN CB C 56 32.420 32.329 0.091 1
1 615 . 9 1 1 A 56 56 GLN N N 56 124.094 122.873 1.221 1
1 617 . 9 1 1 A 57 57 LEU H H 57 8.603 8.552 0.051 1
1 618 . 9 1 1 A 57 57 LEU HA H 57 5.190 4.809 0.381 1
1 628 . 9 1 1 A 57 57 LEU C C 57 175.421 175.750 -0.329 1
1 629 . 9 1 1 A 57 57 LEU CA C 57 53.437 54.238 -0.801 1
1 630 . 9 1 1 A 57 57 LEU CB C 57 44.367 43.160 1.207 1
1 634 . 9 1 1 A 57 57 LEU N N 57 124.534 127.650 -3.116 1
1 635 . 9 1 1 A 58 58 TYR H H 58 9.319 9.246 0.073 1
1 636 . 9 1 1 A 58 58 TYR HA H 58 5.145 5.186 -0.041 1
1 643 . 9 1 1 A 58 58 TYR C C 58 174.821 173.949 0.872 1
1 644 . 9 1 1 A 58 58 TYR CA C 58 56.503 56.523 -0.020 1
1 645 . 9 1 1 A 58 58 TYR CB C 58 43.323 41.290 2.033 1
1 648 . 9 1 1 A 58 58 TYR N N 58 119.746 122.155 -2.409 1
1 649 . 9 1 1 A 59 59 TYR H H 59 8.993 9.300 -0.307 1
1 650 . 9 1 1 A 59 59 TYR HA H 59 5.173 4.973 0.200 1
1 657 . 9 1 1 A 59 59 TYR C C 59 174.980 175.713 -0.733 1
1 658 . 9 1 1 A 59 59 TYR CA C 59 55.625 56.990 -1.365 1
1 659 . 9 1 1 A 59 59 TYR CB C 59 41.981 41.103 0.878 1
1 662 . 9 1 1 A 59 59 TYR N N 59 120.286 126.875 -6.589 1
1 663 . 9 1 1 A 60 60 SER H H 60 9.320 8.707 0.613 1
1 664 . 9 1 1 A 60 60 SER HA H 60 3.668 4.154 -0.486 1
1 667 . 9 1 1 A 60 60 SER C C 60 174.893 174.347 0.546 1
1 668 . 9 1 1 A 60 60 SER CA C 60 57.815 60.078 -2.263 1
1 669 . 9 1 1 A 60 60 SER CB C 60 62.602 62.357 0.245 1
1 670 . 9 1 1 A 60 60 SER N N 60 125.263 123.740 1.523 1
1 671 . 9 1 1 A 61 61 GLY H H 61 8.649 8.456 0.193 1
1 672 . 9 1 1 A 61 61 GLY HA2 H 61 4.035 4.082 -0.047 1
1 673 . 9 1 1 A 61 61 GLY HA3 H 61 3.409 4.123 -0.714 1
1 674 . 9 1 1 A 61 61 GLY C C 61 173.346 173.378 -0.032 1
1 675 . 9 1 1 A 61 61 GLY CA C 61 44.726 45.603 -0.877 1
1 676 . 9 1 1 A 62 62 ILE H H 62 8.128 7.885 0.243 1
1 677 . 9 1 1 A 62 62 ILE HA H 62 4.304 4.675 -0.371 1
1 687 . 9 1 1 A 62 62 ILE C C 62 174.950 174.950 0.000 1
1 688 . 9 1 1 A 62 62 ILE CA C 62 59.396 60.054 -0.658 1
1 689 . 9 1 1 A 62 62 ILE CB C 62 39.110 41.346 -2.236 1
1 693 . 9 1 1 A 62 62 ILE N N 62 123.077 120.449 2.628 1
1 694 . 9 1 1 A 63 63 GLU H H 63 8.697 8.570 0.127 1
1 695 . 9 1 1 A 63 63 GLU HA H 63 3.534 4.092 -0.558 1
1 700 . 9 1 1 A 63 63 GLU C C 63 177.156 175.883 1.273 1
1 701 . 9 1 1 A 63 63 GLU CA C 63 55.231 55.633 -0.402 1
1 702 . 9 1 1 A 63 63 GLU CB C 63 29.804 29.917 -0.113 1
1 704 . 9 1 1 A 63 63 GLU N N 63 127.682 125.791 1.891 1
1 705 . 9 1 1 A 64 64 LEU H H 64 8.791 9.202 -0.411 1
1 706 . 9 1 1 A 64 64 LEU HA H 64 3.954 4.203 -0.249 1
1 716 . 9 1 1 A 64 64 LEU C C 64 176.428 176.687 -0.259 1
1 717 . 9 1 1 A 64 64 LEU CA C 64 52.211 53.992 -1.781 1
1 718 . 9 1 1 A 64 64 LEU CB C 64 37.239 39.947 -2.708 1
1 722 . 9 1 1 A 64 64 LEU N N 64 130.005 125.149 4.856 1
1 723 . 9 1 1 A 65 65 ALA H H 65 7.369 8.033 -0.664 1
1 724 . 9 1 1 A 65 65 ALA HA H 65 4.052 4.231 -0.179 1
1 728 . 9 1 1 A 65 65 ALA C C 65 176.322 177.339 -1.017 1
1 729 . 9 1 1 A 65 65 ALA CA C 65 53.207 53.749 -0.542 1
1 730 . 9 1 1 A 65 65 ALA CB C 65 20.170 19.669 0.501 1
1 731 . 9 1 1 A 65 65 ALA N N 65 124.744 127.913 -3.169 1
1 732 . 9 1 1 A 66 66 ASP H H 66 7.472 7.801 -0.329 1
1 733 . 9 1 1 A 66 66 ASP HA H 66 4.857 4.615 0.242 1
1 736 . 9 1 1 A 66 66 ASP C C 66 175.635 175.205 0.430 1
1 737 . 9 1 1 A 66 66 ASP CA C 66 52.192 54.383 -2.191 1
1 738 . 9 1 1 A 66 66 ASP CB C 66 41.603 41.283 0.320 1
1 739 . 9 1 1 A 66 66 ASP N N 66 117.457 118.486 -1.029 1
1 740 . 9 1 1 A 67 67 ASP H H 67 8.541 8.839 -0.298 1
1 741 . 9 1 1 A 67 67 ASP HA H 67 4.209 4.863 -0.654 1
1 744 . 9 1 1 A 67 67 ASP C C 67 176.292 177.414 -1.122 1
1 745 . 9 1 1 A 67 67 ASP CA C 67 56.925 54.997 1.928 1
1 746 . 9 1 1 A 67 67 ASP CB C 67 40.835 42.518 -1.683 1
1 747 . 9 1 1 A 67 67 ASP N N 67 124.544 119.956 4.588 1
1 748 . 9 1 1 A 68 68 TYR H H 68 7.701 7.774 -0.073 1
1 749 . 9 1 1 A 68 68 TYR HA H 68 4.589 4.492 0.097 1
1 756 . 9 1 1 A 68 68 TYR C C 68 175.742 176.164 -0.422 1
1 757 . 9 1 1 A 68 68 TYR CA C 68 56.622 58.573 -1.951 1
1 758 . 9 1 1 A 68 68 TYR CB C 68 37.607 38.184 -0.577 1
1 761 . 9 1 1 A 68 68 TYR N N 68 112.752 116.836 -4.084 1
1 762 . 9 1 1 A 69 69 ARG H H 69 7.182 7.503 -0.321 1
1 763 . 9 1 1 A 69 69 ARG HA H 69 4.245 4.474 -0.229 1
1 771 . 9 1 1 A 69 69 ARG C C 69 175.443 175.489 -0.046 1
1 772 . 9 1 1 A 69 69 ARG CA C 69 56.056 55.811 0.245 1
1 773 . 9 1 1 A 69 69 ARG CB C 69 31.536 30.861 0.675 1
1 776 . 9 1 1 A 69 69 ARG N N 69 122.155 123.015 -0.860 1
1 778 . 9 1 1 A 70 70 ASN H H 70 8.749 9.755 -1.006 1
1 779 . 9 1 1 A 70 70 ASN HA H 70 5.068 5.146 -0.078 1
1 784 . 9 1 1 A 70 70 ASN C C 70 177.349 176.499 0.850 1
1 785 . 9 1 1 A 70 70 ASN CA C 70 52.528 51.924 0.604 1
1 786 . 9 1 1 A 70 70 ASN CB C 70 39.856 40.938 -1.082 1
1 787 . 9 1 1 A 70 70 ASN N N 70 120.300 120.804 -0.504 1
1 789 . 9 1 1 A 71 71 LEU H H 71 8.603 8.832 -0.229 1
1 790 . 9 1 1 A 71 71 LEU HA H 71 3.943 4.091 -0.148 1
1 800 . 9 1 1 A 71 71 LEU C C 71 179.470 178.795 0.675 1
1 801 . 9 1 1 A 71 71 LEU CA C 71 58.074 57.934 0.140 1
1 802 . 9 1 1 A 71 71 LEU CB C 71 39.446 41.473 -2.027 1
1 806 . 9 1 1 A 71 71 LEU N N 71 118.872 123.990 -5.118 1
1 807 . 9 1 1 A 72 72 ASN H H 72 8.561 8.450 0.111 1
1 808 . 9 1 1 A 72 72 ASN HA H 72 4.394 4.365 0.029 1
1 813 . 9 1 1 A 72 72 ASN C C 72 178.592 176.912 1.680 1
1 814 . 9 1 1 A 72 72 ASN CA C 72 56.065 55.647 0.418 1
1 815 . 9 1 1 A 72 72 ASN CB C 72 37.663 37.325 0.338 1
1 816 . 9 1 1 A 72 72 ASN N N 72 115.744 116.197 -0.453 1
1 818 . 9 1 1 A 73 73 GLU H H 73 7.979 7.728 0.251 1
1 819 . 9 1 1 A 73 73 GLU HA H 73 4.041 4.032 0.009 1
1 824 . 9 1 1 A 73 73 GLU C C 73 177.778 177.732 0.046 1
1 825 . 9 1 1 A 73 73 GLU CA C 73 58.680 58.653 0.027 1
1 826 . 9 1 1 A 73 73 GLU CB C 73 29.114 29.130 -0.016 1
1 828 . 9 1 1 A 73 73 GLU N N 73 121.014 119.447 1.567 1
1 829 . 9 1 1 A 74 74 TYR H H 74 7.500 7.375 0.125 1
1 830 . 9 1 1 A 74 74 TYR HA H 74 4.567 4.569 -0.002 1
1 837 . 9 1 1 A 74 74 TYR C C 74 175.592 175.876 -0.284 1
1 838 . 9 1 1 A 74 74 TYR CA C 74 58.790 58.038 0.752 1
1 839 . 9 1 1 A 74 74 TYR CB C 74 39.440 38.543 0.897 1
1 842 . 9 1 1 A 74 74 TYR N N 74 115.573 116.572 -0.999 1
1 843 . 9 1 1 A 75 75 GLY H H 75 7.702 7.935 -0.233 1
1 844 . 9 1 1 A 75 75 GLY HA2 H 75 4.274 3.957 0.317 1
1 845 . 9 1 1 A 75 75 GLY HA3 H 75 3.749 4.007 -0.258 1
1 846 . 9 1 1 A 75 75 GLY C C 75 174.007 174.552 -0.545 1
1 847 . 9 1 1 A 75 75 GLY CA C 75 45.133 46.050 -0.917 1
1 848 . 9 1 1 A 75 75 GLY N N 75 105.620 108.492 -2.872 1
1 849 . 9 1 1 A 76 76 ILE H H 76 6.628 7.529 -0.901 1
1 850 . 9 1 1 A 76 76 ILE HA H 76 3.170 3.908 -0.738 1
1 860 . 9 1 1 A 76 76 ILE C C 76 174.607 175.342 -0.735 1
1 861 . 9 1 1 A 76 76 ILE CA C 76 62.037 61.194 0.843 1
1 862 . 9 1 1 A 76 76 ILE CB C 76 36.805 37.487 -0.682 1
1 866 . 9 1 1 A 76 76 ILE N N 76 120.041 122.726 -2.685 1
1 867 . 9 1 1 A 77 77 THR H H 77 8.437 8.569 -0.132 1
1 868 . 9 1 1 A 77 77 THR HA H 77 4.420 4.771 -0.351 1
1 873 . 9 1 1 A 77 77 THR C C 77 172.893 172.162 0.731 1
1 874 . 9 1 1 A 77 77 THR CA C 77 58.687 59.368 -0.681 1
1 875 . 9 1 1 A 77 77 THR CB C 77 70.917 71.145 -0.228 1
1 877 . 9 1 1 A 77 77 THR N N 77 121.014 120.173 0.841 1
1 878 . 9 1 1 A 78 78 GLU H H 78 8.235 8.539 -0.304 1
1 879 . 9 1 1 A 78 78 GLU HA H 78 4.088 3.920 0.168 1
1 884 . 9 1 1 A 78 78 GLU C C 78 177.242 177.223 0.019 1
1 885 . 9 1 1 A 78 78 GLU CA C 78 58.254 58.081 0.173 1
1 886 . 9 1 1 A 78 78 GLU CB C 78 29.336 29.430 -0.094 1
1 888 . 9 1 1 A 78 78 GLU N N 78 121.643 124.420 -2.777 1
1 889 . 9 1 1 A 79 79 PHE H H 79 9.152 8.489 0.663 1
1 890 . 9 1 1 A 79 79 PHE HA H 79 4.363 4.699 -0.336 1
1 895 . 9 1 1 A 79 79 PHE C C 79 176.385 174.533 1.852 1
1 896 . 9 1 1 A 79 79 PHE CA C 79 59.552 58.626 0.926 1
1 897 . 9 1 1 A 79 79 PHE CB C 79 36.282 36.057 0.225 1
1 899 . 9 1 1 A 79 79 PHE N N 79 118.909 120.428 -1.519 1
1 900 . 9 1 1 A 80 80 SER H H 80 8.341 7.997 0.344 1
1 901 . 9 1 1 A 80 80 SER HA H 80 4.576 4.969 -0.393 1
1 904 . 9 1 1 A 80 80 SER C C 80 171.629 173.959 -2.330 1
1 905 . 9 1 1 A 80 80 SER CA C 80 61.398 56.817 4.581 1
1 906 . 9 1 1 A 80 80 SER CB C 80 64.796 64.742 0.054 1
1 907 . 9 1 1 A 80 80 SER N N 80 118.396 112.759 5.637 1
1 908 . 9 1 1 A 81 81 GLU H H 81 8.692 8.806 -0.114 1
1 909 . 9 1 1 A 81 81 GLU HA H 81 5.115 4.749 0.366 1
1 914 . 9 1 1 A 81 81 GLU C C 81 174.993 175.801 -0.808 1
1 915 . 9 1 1 A 81 81 GLU CA C 81 54.749 56.219 -1.470 1
1 916 . 9 1 1 A 81 81 GLU CB C 81 31.666 30.446 1.220 1
1 918 . 9 1 1 A 81 81 GLU N N 81 122.155 125.028 -2.873 1
1 919 . 9 1 1 A 82 82 ILE H H 82 9.335 9.552 -0.217 1
1 920 . 9 1 1 A 82 82 ILE HA H 82 4.796 4.718 0.078 1
1 930 . 9 1 1 A 82 82 ILE C C 82 174.350 175.015 -0.665 1
1 931 . 9 1 1 A 82 82 ILE CA C 82 58.543 59.400 -0.857 1
1 932 . 9 1 1 A 82 82 ILE CB C 82 39.050 38.140 0.910 1
1 936 . 9 1 1 A 82 82 ILE N N 82 127.389 126.246 1.143 1
1 937 . 9 1 1 A 83 83 VAL H H 83 9.136 9.118 0.018 1
1 938 . 9 1 1 A 83 83 VAL HA H 83 4.359 4.230 0.129 1
1 946 . 9 1 1 A 83 83 VAL C C 83 174.971 175.248 -0.277 1
1 947 . 9 1 1 A 83 83 VAL CA C 83 61.756 62.268 -0.512 1
1 948 . 9 1 1 A 83 83 VAL CB C 83 33.537 31.757 1.780 1
1 951 . 9 1 1 A 83 83 VAL N N 83 128.322 128.357 -0.035 1
1 952 . 9 1 1 A 84 84 VAL H H 84 8.019 8.952 -0.933 1
1 953 . 9 1 1 A 84 84 VAL HA H 84 4.524 4.813 -0.289 1
1 961 . 9 1 1 A 84 84 VAL C C 84 175.090 174.928 0.162 1
1 962 . 9 1 1 A 84 84 VAL CA C 84 61.268 60.860 0.408 1
1 963 . 9 1 1 A 84 84 VAL CB C 84 32.543 31.596 0.947 1
1 966 . 9 1 1 A 84 84 VAL N N 84 125.746 128.117 -2.371 1
1 967 . 9 1 1 A 85 85 PHE H H 85 9.165 8.947 0.218 1
1 968 . 9 1 1 A 85 85 PHE HA H 85 4.795 4.876 -0.081 1
1 976 . 9 1 1 A 85 85 PHE C C 85 174.414 175.100 -0.686 1
1 977 . 9 1 1 A 85 85 PHE CA C 85 55.636 57.172 -1.536 1
1 978 . 9 1 1 A 85 85 PHE CB C 85 41.618 40.531 1.087 1
1 982 . 9 1 1 A 85 85 PHE N N 85 126.921 126.539 0.382 1
1 983 . 9 1 1 A 86 86 LEU H H 86 8.314 9.104 -0.790 1
1 984 . 9 1 1 A 86 86 LEU HA H 86 5.103 5.232 -0.129 1
1 994 . 9 1 1 A 86 86 LEU C C 86 177.221 176.827 0.394 1
1 995 . 9 1 1 A 86 86 LEU CA C 86 52.667 53.440 -0.773 1
1 996 . 9 1 1 A 86 86 LEU CB C 86 42.493 43.941 -1.448 1
1 1000 . 9 1 1 A 86 86 LEU N N 86 122.166 124.348 -2.182 1
1 1001 . 9 1 1 A 87 87 LYS H H 87 9.006 9.294 -0.288 1
1 1002 . 9 1 1 A 87 87 LYS HA H 87 4.276 4.460 -0.184 1
1 1011 . 9 1 1 A 87 87 LYS C C 87 176.685 175.668 1.017 1
1 1012 . 9 1 1 A 87 87 LYS CA C 87 56.069 55.998 0.071 1
1 1013 . 9 1 1 A 87 87 LYS CB C 87 33.751 30.817 2.934 1
1 1017 . 9 1 1 A 87 87 LYS N N 87 124.552 124.118 0.434 1
1 1018 . 9 1 1 A 88 88 SER H H 88 8.640 8.272 0.368 1
1 1019 . 9 1 1 A 88 88 SER HA H 88 4.461 4.669 -0.208 1
1 1022 . 9 1 1 A 88 88 SER C C 88 174.671 174.892 -0.221 1
1 1023 . 9 1 1 A 88 88 SER CA C 88 58.244 58.491 -0.247 1
1 1024 . 9 1 1 A 88 88 SER CB C 88 63.518 61.909 1.609 1
1 1025 . 9 1 1 A 88 88 SER N N 88 118.741 117.372 1.369 1
1 1026 . 9 1 1 A 89 89 ILE H H 89 8.401 8.114 0.287 1
1 1027 . 9 1 1 A 89 89 ILE HA H 89 4.173 4.323 -0.150 1
1 1037 . 9 1 1 A 89 89 ILE C C 89 175.828 175.023 0.805 1
1 1038 . 9 1 1 A 89 89 ILE CA C 89 61.240 61.303 -0.063 1
1 1039 . 9 1 1 A 89 89 ILE CB C 89 38.930 37.791 1.139 1
1 1043 . 9 1 1 A 89 89 ILE N N 89 122.196 121.809 0.387 1
1 1044 . 9 1 1 A 90 90 ASN H H 90 8.479 7.609 0.870 1
1 1045 . 9 1 1 A 90 90 ASN HA H 90 4.709 4.969 -0.260 1
1 1050 . 9 1 1 A 90 90 ASN C C 90 174.971 175.112 -0.141 1
1 1051 . 9 1 1 A 90 90 ASN CA C 90 52.863 52.174 0.689 1
1 1052 . 9 1 1 A 90 90 ASN CB C 90 38.726 40.072 -1.346 1
1 1053 . 9 1 1 A 90 90 ASN N N 90 122.645 121.155 1.490 1
1 1055 . 9 1 1 A 91 91 ARG H H 91 8.340 8.860 -0.520 1
1 1056 . 9 1 1 A 91 91 ARG HA H 91 4.321 4.082 0.239 1
1 1063 . 9 1 1 A 91 91 ARG C C 91 175.850 177.132 -1.282 1
1 1064 . 9 1 1 A 91 91 ARG CA C 91 55.708 59.132 -3.424 1
1 1065 . 9 1 1 A 91 91 ARG CB C 91 30.704 30.174 0.530 1
1 1068 . 9 1 1 A 91 91 ARG N N 91 122.190 126.362 -4.172 1
1 1069 . 9 1 1 A 92 92 ALA H H 92 8.310 7.499 0.811 1
1 1070 . 9 1 1 A 92 92 ALA HA H 92 4.292 4.382 -0.090 1
1 1074 . 9 1 1 A 92 92 ALA C C 92 177.456 176.492 0.964 1
1 1075 . 9 1 1 A 92 92 ALA CA C 92 52.524 51.341 1.183 1
1 1076 . 9 1 1 A 92 92 ALA CB C 92 19.254 17.934 1.320 1
1 1077 . 9 1 1 A 92 92 ALA N N 92 125.492 119.472 6.020 1
1 1078 . 9 1 1 A 93 93 LYS H H 93 8.189 7.771 0.418 1
1 1079 . 9 1 1 A 93 93 LYS HA H 93 4.318 4.525 -0.207 1
1 1088 . 9 1 1 A 93 93 LYS C C 93 175.357 175.828 -0.471 1
1 1089 . 9 1 1 A 93 93 LYS CA C 93 56.059 56.112 -0.053 1
1 1090 . 9 1 1 A 93 93 LYS CB C 93 33.101 33.580 -0.479 1
1 1094 . 9 1 1 A 93 93 LYS N N 93 120.307 120.056 0.251 1
1 1 . 10 1 1 A 11 11 ALA HA H 11 4.252 3.964 0.288 1
1 5 . 10 1 1 A 11 11 ALA CA C 11 52.471 53.551 -1.080 1
1 6 . 10 1 1 A 11 11 ALA CB C 11 19.020 18.208 0.812 1
1 7 . 10 1 1 A 12 12 ALA H H 12 8.179 7.928 0.251 1
1 8 . 10 1 1 A 12 12 ALA HA H 12 4.291 4.427 -0.136 1
1 12 . 10 1 1 A 12 12 ALA C C 12 177.662 176.877 0.785 1
1 13 . 10 1 1 A 12 12 ALA CA C 12 52.444 51.636 0.808 1
1 14 . 10 1 1 A 12 12 ALA CB C 12 18.943 17.400 1.543 1
1 15 . 10 1 1 A 12 12 ALA N N 12 123.114 119.987 3.127 1
1 16 . 10 1 1 A 13 13 VAL H H 13 8.006 7.562 0.444 1
1 17 . 10 1 1 A 13 13 VAL HA H 13 4.100 4.035 0.065 1
1 25 . 10 1 1 A 13 13 VAL C C 13 175.990 175.865 0.125 1
1 26 . 10 1 1 A 13 13 VAL CA C 13 62.182 62.085 0.097 1
1 27 . 10 1 1 A 13 13 VAL CB C 13 32.442 32.540 -0.098 1
1 29 . 10 1 1 A 13 13 VAL N N 13 119.213 117.165 2.048 1
1 30 . 10 1 1 A 14 14 ARG H H 14 8.329 8.893 -0.564 1
1 31 . 10 1 1 A 14 14 ARG HA H 14 4.344 4.894 -0.550 1
1 38 . 10 1 1 A 14 14 ARG C C 14 175.844 175.434 0.410 1
1 39 . 10 1 1 A 14 14 ARG CA C 14 56.071 54.517 1.554 1
1 40 . 10 1 1 A 14 14 ARG CB C 14 31.099 31.512 -0.413 1
1 43 . 10 1 1 A 14 14 ARG N N 14 125.039 124.046 0.993 1
1 44 . 10 1 1 A 15 15 LYS H H 15 8.147 8.496 -0.349 1
1 45 . 10 1 1 A 15 15 LYS HA H 15 4.552 4.375 0.177 1
1 54 . 10 1 1 A 15 15 LYS C C 15 176.186 176.553 -0.367 1
1 55 . 10 1 1 A 15 15 LYS CA C 15 55.632 57.026 -1.394 1
1 56 . 10 1 1 A 15 15 LYS CB C 15 33.543 33.294 0.249 1
1 60 . 10 1 1 A 15 15 LYS N N 15 121.711 123.966 -2.255 1
1 61 . 10 1 1 A 16 16 ILE H H 16 8.764 9.313 -0.549 1
1 62 . 10 1 1 A 16 16 ILE HA H 16 4.508 4.899 -0.391 1
1 72 . 10 1 1 A 16 16 ILE C C 16 174.333 174.292 0.041 1
1 73 . 10 1 1 A 16 16 ILE CA C 16 59.343 59.298 0.045 1
1 74 . 10 1 1 A 16 16 ILE CB C 16 41.575 40.313 1.262 1
1 78 . 10 1 1 A 16 16 ILE N N 16 116.484 118.581 -2.097 1
1 79 . 10 1 1 A 17 17 HIS H H 17 8.659 8.785 -0.126 1
1 80 . 10 1 1 A 17 17 HIS HA H 17 5.130 5.092 0.038 1
1 85 . 10 1 1 A 17 17 HIS C C 17 174.788 173.964 0.824 1
1 86 . 10 1 1 A 17 17 HIS CA C 17 55.562 54.548 1.014 1
1 87 . 10 1 1 A 17 17 HIS CB C 17 30.047 29.731 0.316 1
1 90 . 10 1 1 A 17 17 HIS N N 17 119.826 123.341 -3.515 1
1 93 . 10 1 1 A 18 18 VAL H H 18 8.788 8.074 0.714 1
1 94 . 10 1 1 A 18 18 VAL HA H 18 4.681 4.374 0.307 1
1 102 . 10 1 1 A 18 18 VAL C C 18 174.631 175.400 -0.769 1
1 103 . 10 1 1 A 18 18 VAL CA C 18 59.568 61.496 -1.928 1
1 104 . 10 1 1 A 18 18 VAL CB C 18 34.191 32.777 1.414 1
1 107 . 10 1 1 A 18 18 VAL N N 18 117.203 121.787 -4.584 1
1 108 . 10 1 1 A 19 19 THR H H 19 8.746 8.969 -0.223 1
1 109 . 10 1 1 A 19 19 THR HA H 19 4.603 4.679 -0.076 1
1 114 . 10 1 1 A 19 19 THR C C 19 172.422 173.943 -1.521 1
1 115 . 10 1 1 A 19 19 THR CA C 19 62.159 62.055 0.104 1
1 116 . 10 1 1 A 19 19 THR CB C 19 69.640 69.338 0.302 1
1 118 . 10 1 1 A 19 19 THR N N 19 121.216 121.833 -0.617 1
1 119 . 10 1 1 A 20 20 VAL H H 20 9.268 8.922 0.346 1
1 120 . 10 1 1 A 20 20 VAL HA H 20 4.426 4.303 0.123 1
1 128 . 10 1 1 A 20 20 VAL C C 20 174.013 175.068 -1.055 1
1 129 . 10 1 1 A 20 20 VAL CA C 20 61.312 61.805 -0.493 1
1 130 . 10 1 1 A 20 20 VAL CB C 20 31.567 31.571 -0.004 1
1 133 . 10 1 1 A 20 20 VAL N N 20 128.437 127.825 0.612 1
1 134 . 10 1 1 A 21 21 LYS H H 21 9.147 9.301 -0.154 1
1 135 . 10 1 1 A 21 21 LYS HA H 21 4.759 4.668 0.091 1
1 144 . 10 1 1 A 21 21 LYS C C 21 175.935 175.333 0.602 1
1 145 . 10 1 1 A 21 21 LYS CA C 21 55.384 55.097 0.287 1
1 146 . 10 1 1 A 21 21 LYS CB C 21 34.197 32.531 1.666 1
1 150 . 10 1 1 A 21 21 LYS N N 21 126.951 128.219 -1.268 1
1 151 . 10 1 1 A 22 22 PHE H H 22 8.938 8.657 0.281 1
1 152 . 10 1 1 A 22 22 PHE HA H 22 4.846 4.684 0.162 1
1 158 . 10 1 1 A 22 22 PHE C C 22 174.843 175.994 -1.151 1
1 159 . 10 1 1 A 22 22 PHE CA C 22 56.918 56.382 0.536 1
1 160 . 10 1 1 A 22 22 PHE CB C 22 39.021 40.492 -1.471 1
1 163 . 10 1 1 A 22 22 PHE N N 22 127.843 124.851 2.992 1
1 164 . 10 1 1 A 23 23 PRO HA H 23 4.192 4.300 -0.108 1
1 171 . 10 1 1 A 23 23 PRO C C 23 177.813 178.230 -0.417 1
1 172 . 10 1 1 A 23 23 PRO CA C 23 66.150 65.150 1.000 1
1 173 . 10 1 1 A 23 23 PRO CB C 23 31.588 31.983 -0.395 1
1 176 . 10 1 1 A 24 24 SER H H 24 8.115 8.279 -0.164 1
1 177 . 10 1 1 A 24 24 SER HA H 24 4.772 4.408 0.364 1
1 180 . 10 1 1 A 24 24 SER C C 24 173.836 174.696 -0.860 1
1 181 . 10 1 1 A 24 24 SER CA C 24 56.928 61.162 -4.234 1
1 182 . 10 1 1 A 24 24 SER CB C 24 64.789 63.376 1.413 1
1 183 . 10 1 1 A 24 24 SER N N 24 106.127 110.677 -4.550 1
1 184 . 10 1 1 A 25 25 LYS H H 25 7.321 7.915 -0.594 1
1 185 . 10 1 1 A 25 25 LYS HA H 25 4.739 4.904 -0.165 1
1 194 . 10 1 1 A 25 25 LYS C C 25 172.915 174.154 -1.239 1
1 195 . 10 1 1 A 25 25 LYS CA C 25 55.863 54.168 1.695 1
1 196 . 10 1 1 A 25 25 LYS CB C 25 34.621 36.184 -1.563 1
1 200 . 10 1 1 A 25 25 LYS N N 25 118.386 118.093 0.293 1
1 201 . 10 1 1 A 26 26 GLN H H 26 8.566 8.686 -0.120 1
1 202 . 10 1 1 A 26 26 GLN HA H 26 5.708 5.362 0.346 1
1 209 . 10 1 1 A 26 26 GLN C C 26 174.179 174.610 -0.431 1
1 210 . 10 1 1 A 26 26 GLN CA C 26 53.888 54.392 -0.504 1
1 211 . 10 1 1 A 26 26 GLN CB C 26 32.884 32.223 0.661 1
1 213 . 10 1 1 A 26 26 GLN N N 26 117.444 120.292 -2.848 1
1 215 . 10 1 1 A 27 27 PHE H H 27 8.564 8.523 0.041 1
1 216 . 10 1 1 A 27 27 PHE HA H 27 5.085 5.226 -0.141 1
1 224 . 10 1 1 A 27 27 PHE C C 27 173.234 172.173 1.061 1
1 225 . 10 1 1 A 27 27 PHE CA C 27 55.993 56.035 -0.042 1
1 226 . 10 1 1 A 27 27 PHE CB C 27 40.088 42.126 -2.038 1
1 230 . 10 1 1 A 27 27 PHE N N 27 117.565 121.509 -3.944 1
1 231 . 10 1 1 A 28 28 THR H H 28 8.801 8.772 0.029 1
1 232 . 10 1 1 A 28 28 THR HA H 28 5.419 5.015 0.404 1
1 237 . 10 1 1 A 28 28 THR C C 28 174.650 173.769 0.881 1
1 238 . 10 1 1 A 28 28 THR CA C 28 61.203 61.591 -0.388 1
1 239 . 10 1 1 A 28 28 THR CB C 28 70.508 70.227 0.281 1
1 241 . 10 1 1 A 28 28 THR N N 28 115.093 116.360 -1.267 1
1 242 . 10 1 1 A 29 29 VAL H H 29 8.983 9.225 -0.242 1
1 243 . 10 1 1 A 29 29 VAL HA H 29 4.549 4.778 -0.229 1
1 251 . 10 1 1 A 29 29 VAL C C 29 173.686 174.813 -1.127 1
1 252 . 10 1 1 A 29 29 VAL CA C 29 60.118 60.394 -0.276 1
1 253 . 10 1 1 A 29 29 VAL CB C 29 35.498 35.436 0.062 1
1 256 . 10 1 1 A 29 29 VAL N N 29 121.743 125.890 -4.147 1
1 257 . 10 1 1 A 30 30 GLU H H 30 8.460 8.841 -0.381 1
1 258 . 10 1 1 A 30 30 GLU HA H 30 4.894 4.958 -0.064 1
1 263 . 10 1 1 A 30 30 GLU C C 30 175.807 176.336 -0.529 1
1 264 . 10 1 1 A 30 30 GLU CA C 30 54.922 56.107 -1.185 1
1 265 . 10 1 1 A 30 30 GLU CB C 30 31.123 30.390 0.733 1
1 267 . 10 1 1 A 30 30 GLU N N 30 125.512 126.992 -1.480 1
1 268 . 10 1 1 A 31 31 VAL H H 31 8.917 8.510 0.407 1
1 269 . 10 1 1 A 31 31 VAL HA H 31 4.634 4.882 -0.248 1
1 277 . 10 1 1 A 31 31 VAL C C 31 174.136 174.171 -0.035 1
1 278 . 10 1 1 A 31 31 VAL CA C 31 58.299 58.999 -0.700 1
1 279 . 10 1 1 A 31 31 VAL CB C 31 35.067 35.145 -0.078 1
1 282 . 10 1 1 A 31 31 VAL N N 31 118.900 117.786 1.114 1
1 283 . 10 1 1 A 32 32 ASP H H 32 9.032 8.712 0.320 1
1 284 . 10 1 1 A 32 32 ASP HA H 32 4.943 4.676 0.267 1
1 287 . 10 1 1 A 32 32 ASP C C 32 177.992 177.372 0.620 1
1 288 . 10 1 1 A 32 32 ASP CA C 32 53.428 53.520 -0.092 1
1 289 . 10 1 1 A 32 32 ASP CB C 32 42.939 41.768 1.171 1
1 290 . 10 1 1 A 32 32 ASP N N 32 121.708 124.468 -2.760 1
1 291 . 10 1 1 A 33 33 ARG H H 33 8.847 8.798 0.049 1
1 292 . 10 1 1 A 33 33 ARG HA H 33 3.952 4.116 -0.164 1
1 299 . 10 1 1 A 33 33 ARG C C 33 176.257 177.158 -0.901 1
1 300 . 10 1 1 A 33 33 ARG CA C 33 59.113 58.723 0.390 1
1 301 . 10 1 1 A 33 33 ARG CB C 33 30.011 29.963 0.048 1
1 304 . 10 1 1 A 33 33 ARG N N 33 121.873 123.603 -1.730 1
1 305 . 10 1 1 A 34 34 THR H H 34 8.058 8.174 -0.116 1
1 306 . 10 1 1 A 34 34 THR HA H 34 4.350 4.587 -0.237 1
1 311 . 10 1 1 A 34 34 THR C C 34 174.371 174.554 -0.183 1
1 312 . 10 1 1 A 34 34 THR CA C 34 60.432 61.865 -1.433 1
1 313 . 10 1 1 A 34 34 THR CB C 34 68.739 69.241 -0.502 1
1 315 . 10 1 1 A 34 34 THR N N 34 104.720 106.944 -2.224 1
1 316 . 10 1 1 A 35 35 GLU H H 35 7.473 7.508 -0.035 1
1 317 . 10 1 1 A 35 35 GLU HA H 35 4.239 4.210 0.029 1
1 322 . 10 1 1 A 35 35 GLU C C 35 176.021 175.824 0.197 1
1 323 . 10 1 1 A 35 35 GLU CA C 35 56.921 56.833 0.088 1
1 324 . 10 1 1 A 35 35 GLU CB C 35 31.086 30.110 0.976 1
1 326 . 10 1 1 A 35 35 GLU N N 35 123.129 123.900 -0.771 1
1 327 . 10 1 1 A 36 36 THR H H 36 8.432 8.621 -0.189 1
1 328 . 10 1 1 A 36 36 THR HA H 36 4.987 5.083 -0.096 1
1 333 . 10 1 1 A 36 36 THR C C 36 175.939 176.215 -0.276 1
1 334 . 10 1 1 A 36 36 THR CA C 36 60.249 60.492 -0.243 1
1 335 . 10 1 1 A 36 36 THR CB C 36 71.783 71.310 0.473 1
1 337 . 10 1 1 A 36 36 THR N N 36 112.476 116.260 -3.784 1
1 338 . 10 1 1 A 37 37 VAL H H 37 8.087 8.918 -0.831 1
1 339 . 10 1 1 A 37 37 VAL HA H 37 3.411 3.644 -0.233 1
1 347 . 10 1 1 A 37 37 VAL C C 37 178.249 177.491 0.758 1
1 348 . 10 1 1 A 37 37 VAL CA C 37 67.397 66.632 0.765 1
1 349 . 10 1 1 A 37 37 VAL CB C 37 31.567 31.287 0.280 1
1 352 . 10 1 1 A 37 37 VAL N N 37 121.215 122.713 -1.498 1
1 353 . 10 1 1 A 38 38 SER H H 38 8.863 7.756 1.107 1
1 354 . 10 1 1 A 38 38 SER HA H 38 4.760 4.065 0.695 1
1 357 . 10 1 1 A 38 38 SER C C 38 176.814 176.230 0.584 1
1 358 . 10 1 1 A 38 38 SER CA C 38 57.746 61.913 -4.167 1
1 359 . 10 1 1 A 38 38 SER CB C 38 62.627 62.818 -0.191 1
1 360 . 10 1 1 A 38 38 SER N N 38 112.752 116.141 -3.389 1
1 361 . 10 1 1 A 39 39 SER H H 39 7.999 7.665 0.334 1
1 362 . 10 1 1 A 39 39 SER HA H 39 4.318 4.343 -0.025 1
1 365 . 10 1 1 A 39 39 SER C C 39 177.692 176.629 1.063 1
1 366 . 10 1 1 A 39 39 SER CA C 39 61.338 61.698 -0.360 1
1 367 . 10 1 1 A 39 39 SER CB C 39 62.349 63.198 -0.849 1
1 368 . 10 1 1 A 39 39 SER N N 39 117.918 118.232 -0.314 1
1 369 . 10 1 1 A 40 40 LEU H H 40 8.227 8.353 -0.126 1
1 370 . 10 1 1 A 40 40 LEU HA H 40 4.104 4.058 0.046 1
1 380 . 10 1 1 A 40 40 LEU C C 40 178.420 178.667 -0.247 1
1 381 . 10 1 1 A 40 40 LEU CA C 40 58.235 58.153 0.082 1
1 382 . 10 1 1 A 40 40 LEU CB C 40 40.797 41.850 -1.053 1
1 386 . 10 1 1 A 40 40 LEU N N 40 123.592 122.979 0.613 1
1 387 . 10 1 1 A 41 41 LYS H H 41 8.470 8.012 0.458 1
1 388 . 10 1 1 A 41 41 LYS HA H 41 3.824 4.210 -0.386 1
1 397 . 10 1 1 A 41 41 LYS C C 41 178.476 179.203 -0.727 1
1 398 . 10 1 1 A 41 41 LYS CA C 41 61.313 59.719 1.594 1
1 399 . 10 1 1 A 41 41 LYS CB C 41 32.414 31.940 0.474 1
1 403 . 10 1 1 A 41 41 LYS N N 41 118.401 118.568 -0.167 1
1 404 . 10 1 1 A 42 42 ASP H H 42 7.956 8.263 -0.307 1
1 405 . 10 1 1 A 42 42 ASP HA H 42 4.447 4.389 0.058 1
1 408 . 10 1 1 A 42 42 ASP C C 42 178.806 178.348 0.458 1
1 409 . 10 1 1 A 42 42 ASP CA C 42 57.802 57.610 0.192 1
1 410 . 10 1 1 A 42 42 ASP CB C 42 40.585 41.633 -1.048 1
1 411 . 10 1 1 A 42 42 ASP N N 42 119.295 119.734 -0.439 1
1 412 . 10 1 1 A 43 43 LYS H H 43 8.024 8.231 -0.207 1
1 413 . 10 1 1 A 43 43 LYS HA H 43 4.039 4.091 -0.052 1
1 422 . 10 1 1 A 43 43 LYS C C 43 179.941 179.009 0.932 1
1 423 . 10 1 1 A 43 43 LYS CA C 43 60.014 59.943 0.071 1
1 424 . 10 1 1 A 43 43 LYS CB C 43 32.865 32.257 0.608 1
1 428 . 10 1 1 A 43 43 LYS N N 43 119.784 119.979 -0.195 1
1 429 . 10 1 1 A 44 44 ILE H H 44 8.480 8.081 0.399 1
1 430 . 10 1 1 A 44 44 ILE HA H 44 3.702 3.891 -0.189 1
1 440 . 10 1 1 A 44 44 ILE C C 44 177.328 178.331 -1.003 1
1 441 . 10 1 1 A 44 44 ILE CA C 44 65.725 65.473 0.252 1
1 442 . 10 1 1 A 44 44 ILE CB C 44 38.110 38.013 0.097 1
1 446 . 10 1 1 A 44 44 ILE N N 44 119.363 120.122 -0.759 1
1 447 . 10 1 1 A 45 45 HIS H H 45 8.635 8.502 0.133 1
1 448 . 10 1 1 A 45 45 HIS HA H 45 4.471 4.232 0.239 1
1 453 . 10 1 1 A 45 45 HIS C C 45 176.407 177.113 -0.706 1
1 454 . 10 1 1 A 45 45 HIS CA C 45 58.451 59.798 -1.347 1
1 455 . 10 1 1 A 45 45 HIS CB C 45 28.055 29.588 -1.533 1
1 458 . 10 1 1 A 45 45 HIS N N 45 118.889 119.544 -0.655 1
1 461 . 10 1 1 A 46 46 ILE H H 46 7.868 7.848 0.020 1
1 462 . 10 1 1 A 46 46 ILE HA H 46 3.571 3.519 0.052 1
1 472 . 10 1 1 A 46 46 ILE C C 46 177.371 178.440 -1.069 1
1 473 . 10 1 1 A 46 46 ILE CA C 46 63.925 64.323 -0.398 1
1 474 . 10 1 1 A 46 46 ILE CB C 46 37.704 37.015 0.689 1
1 478 . 10 1 1 A 46 46 ILE N N 46 118.414 119.234 -0.820 1
1 479 . 10 1 1 A 47 47 VAL H H 47 7.223 7.206 0.017 1
1 480 . 10 1 1 A 47 47 VAL HA H 47 3.684 3.640 0.044 1
1 488 . 10 1 1 A 47 47 VAL C C 47 176.706 176.566 0.140 1
1 489 . 10 1 1 A 47 47 VAL CA C 47 64.807 65.211 -0.404 1
1 490 . 10 1 1 A 47 47 VAL CB C 47 32.209 32.034 0.175 1
1 493 . 10 1 1 A 47 47 VAL N N 47 116.982 119.909 -2.927 1
1 494 . 10 1 1 A 48 48 GLU H H 48 8.090 8.077 0.013 1
1 495 . 10 1 1 A 48 48 GLU HA H 48 4.271 4.096 0.175 1
1 500 . 10 1 1 A 48 48 GLU C C 48 176.042 176.387 -0.345 1
1 501 . 10 1 1 A 48 48 GLU CA C 48 55.062 55.423 -0.361 1
1 502 . 10 1 1 A 48 48 GLU CB C 48 31.544 31.128 0.416 1
1 504 . 10 1 1 A 48 48 GLU N N 48 118.849 119.686 -0.837 1
1 505 . 10 1 1 A 49 49 ASN H H 49 8.113 8.622 -0.509 1
1 506 . 10 1 1 A 49 49 ASN HA H 49 4.137 4.643 -0.506 1
1 511 . 10 1 1 A 49 49 ASN C C 49 174.993 175.621 -0.628 1
1 512 . 10 1 1 A 49 49 ASN CA C 49 54.287 53.054 1.233 1
1 513 . 10 1 1 A 49 49 ASN CB C 49 37.647 40.087 -2.440 1
1 514 . 10 1 1 A 49 49 ASN N N 49 118.695 120.289 -1.594 1
1 516 . 10 1 1 A 50 50 THR H H 50 7.780 7.424 0.356 1
1 517 . 10 1 1 A 50 50 THR HA H 50 4.483 4.452 0.031 1
1 522 . 10 1 1 A 50 50 THR C C 50 173.107 172.997 0.110 1
1 523 . 10 1 1 A 50 50 THR CA C 50 61.094 60.961 0.133 1
1 524 . 10 1 1 A 50 50 THR CB C 50 70.926 69.519 1.407 1
1 526 . 10 1 1 A 50 50 THR N N 50 118.434 114.990 3.444 1
1 527 . 10 1 1 A 51 51 PRO HA H 51 4.485 4.686 -0.201 1
1 534 . 10 1 1 A 51 51 PRO C C 51 178.067 177.584 0.483 1
1 535 . 10 1 1 A 51 51 PRO CA C 51 63.075 63.035 0.040 1
1 536 . 10 1 1 A 51 51 PRO CB C 51 31.996 32.804 -0.808 1
1 539 . 10 1 1 A 52 52 ILE H H 52 8.530 8.176 0.354 1
1 540 . 10 1 1 A 52 52 ILE HA H 52 3.764 3.888 -0.124 1
1 550 . 10 1 1 A 52 52 ILE C C 52 179.363 177.892 1.471 1
1 551 . 10 1 1 A 52 52 ILE CA C 52 64.855 63.737 1.118 1
1 552 . 10 1 1 A 52 52 ILE CB C 52 38.109 37.930 0.179 1
1 556 . 10 1 1 A 52 52 ILE N N 52 125.501 122.875 2.626 1
1 557 . 10 1 1 A 53 53 LYS H H 53 8.603 7.856 0.747 1
1 558 . 10 1 1 A 53 53 LYS HA H 53 4.180 4.137 0.043 1
1 567 . 10 1 1 A 53 53 LYS C C 53 177.113 178.128 -1.015 1
1 568 . 10 1 1 A 53 53 LYS CA C 53 57.816 59.172 -1.356 1
1 569 . 10 1 1 A 53 53 LYS CB C 53 31.992 32.008 -0.016 1
1 573 . 10 1 1 A 53 53 LYS N N 53 117.464 120.082 -2.618 1
1 574 . 10 1 1 A 54 54 ARG H H 54 7.479 7.354 0.125 1
1 575 . 10 1 1 A 54 54 ARG HA H 54 4.361 4.382 -0.021 1
1 582 . 10 1 1 A 54 54 ARG C C 54 175.507 176.105 -0.598 1
1 583 . 10 1 1 A 54 54 ARG CA C 54 56.051 56.234 -0.183 1
1 584 . 10 1 1 A 54 54 ARG CB C 54 31.559 30.922 0.637 1
1 587 . 10 1 1 A 54 54 ARG N N 54 114.601 117.219 -2.618 1
1 588 . 10 1 1 A 55 55 MET H H 55 7.479 7.332 0.147 1
1 589 . 10 1 1 A 55 55 MET HA H 55 4.435 5.151 -0.716 1
1 597 . 10 1 1 A 55 55 MET C C 55 175.276 174.561 0.715 1
1 598 . 10 1 1 A 55 55 MET CA C 55 57.365 53.374 3.991 1
1 599 . 10 1 1 A 55 55 MET CB C 55 35.142 34.847 0.295 1
1 602 . 10 1 1 A 55 55 MET N N 55 116.986 116.233 0.753 1
1 603 . 10 1 1 A 56 56 GLN H H 56 8.958 9.099 -0.141 1
1 604 . 10 1 1 A 56 56 GLN HA H 56 4.502 5.050 -0.548 1
1 611 . 10 1 1 A 56 56 GLN C C 56 173.429 174.727 -1.298 1
1 612 . 10 1 1 A 56 56 GLN CA C 56 54.982 54.228 0.754 1
1 613 . 10 1 1 A 56 56 GLN CB C 56 32.420 32.344 0.076 1
1 615 . 10 1 1 A 56 56 GLN N N 56 124.094 122.262 1.832 1
1 617 . 10 1 1 A 57 57 LEU H H 57 8.603 8.381 0.222 1
1 618 . 10 1 1 A 57 57 LEU HA H 57 5.190 5.079 0.111 1
1 628 . 10 1 1 A 57 57 LEU C C 57 175.421 175.740 -0.319 1
1 629 . 10 1 1 A 57 57 LEU CA C 57 53.437 54.173 -0.736 1
1 630 . 10 1 1 A 57 57 LEU CB C 57 44.367 43.316 1.051 1
1 634 . 10 1 1 A 57 57 LEU N N 57 124.534 126.367 -1.833 1
1 635 . 10 1 1 A 58 58 TYR H H 58 9.319 9.382 -0.063 1
1 636 . 10 1 1 A 58 58 TYR HA H 58 5.145 5.248 -0.103 1
1 643 . 10 1 1 A 58 58 TYR C C 58 174.821 174.338 0.483 1
1 644 . 10 1 1 A 58 58 TYR CA C 58 56.503 56.463 0.040 1
1 645 . 10 1 1 A 58 58 TYR CB C 58 43.323 41.750 1.573 1
1 648 . 10 1 1 A 58 58 TYR N N 58 119.746 122.637 -2.891 1
1 649 . 10 1 1 A 59 59 TYR H H 59 8.993 9.572 -0.579 1
1 650 . 10 1 1 A 59 59 TYR HA H 59 5.173 4.987 0.186 1
1 657 . 10 1 1 A 59 59 TYR C C 59 174.980 175.070 -0.090 1
1 658 . 10 1 1 A 59 59 TYR CA C 59 55.625 57.347 -1.722 1
1 659 . 10 1 1 A 59 59 TYR CB C 59 41.981 41.465 0.516 1
1 662 . 10 1 1 A 59 59 TYR N N 59 120.286 124.828 -4.542 1
1 663 . 10 1 1 A 60 60 SER H H 60 9.320 9.144 0.176 1
1 664 . 10 1 1 A 60 60 SER HA H 60 3.668 4.036 -0.368 1
1 667 . 10 1 1 A 60 60 SER C C 60 174.893 174.446 0.447 1
1 668 . 10 1 1 A 60 60 SER CA C 60 57.815 59.055 -1.240 1
1 669 . 10 1 1 A 60 60 SER CB C 60 62.602 61.364 1.238 1
1 670 . 10 1 1 A 60 60 SER N N 60 125.263 123.259 2.004 1
1 671 . 10 1 1 A 61 61 GLY H H 61 8.649 8.548 0.101 1
1 672 . 10 1 1 A 61 61 GLY HA2 H 61 4.035 3.817 0.218 1
1 673 . 10 1 1 A 61 61 GLY HA3 H 61 3.409 3.883 -0.474 1
1 674 . 10 1 1 A 61 61 GLY C C 61 173.346 173.608 -0.262 1
1 675 . 10 1 1 A 61 61 GLY CA C 61 44.726 45.393 -0.667 1
1 676 . 10 1 1 A 62 62 ILE H H 62 8.128 8.007 0.121 1
1 677 . 10 1 1 A 62 62 ILE HA H 62 4.304 4.188 0.116 1
1 687 . 10 1 1 A 62 62 ILE C C 62 174.950 174.950 0.000 1
1 688 . 10 1 1 A 62 62 ILE CA C 62 59.396 60.463 -1.067 1
1 689 . 10 1 1 A 62 62 ILE CB C 62 39.110 39.150 -0.040 1
1 693 . 10 1 1 A 62 62 ILE N N 62 123.077 123.313 -0.236 1
1 694 . 10 1 1 A 63 63 GLU H H 63 8.697 8.543 0.154 1
1 695 . 10 1 1 A 63 63 GLU HA H 63 3.534 4.087 -0.553 1
1 700 . 10 1 1 A 63 63 GLU C C 63 177.156 175.779 1.377 1
1 701 . 10 1 1 A 63 63 GLU CA C 63 55.231 55.690 -0.459 1
1 702 . 10 1 1 A 63 63 GLU CB C 63 29.804 29.484 0.320 1
1 704 . 10 1 1 A 63 63 GLU N N 63 127.682 127.824 -0.142 1
1 705 . 10 1 1 A 64 64 LEU H H 64 8.791 9.203 -0.412 1
1 706 . 10 1 1 A 64 64 LEU HA H 64 3.954 4.152 -0.198 1
1 716 . 10 1 1 A 64 64 LEU C C 64 176.428 176.432 -0.004 1
1 717 . 10 1 1 A 64 64 LEU CA C 64 52.211 54.279 -2.068 1
1 718 . 10 1 1 A 64 64 LEU CB C 64 37.239 40.185 -2.946 1
1 722 . 10 1 1 A 64 64 LEU N N 64 130.005 125.251 4.754 1
1 723 . 10 1 1 A 65 65 ALA H H 65 7.369 8.092 -0.723 1
1 724 . 10 1 1 A 65 65 ALA HA H 65 4.052 4.237 -0.185 1
1 728 . 10 1 1 A 65 65 ALA C C 65 176.322 176.785 -0.463 1
1 729 . 10 1 1 A 65 65 ALA CA C 65 53.207 53.684 -0.477 1
1 730 . 10 1 1 A 65 65 ALA CB C 65 20.170 19.631 0.539 1
1 731 . 10 1 1 A 65 65 ALA N N 65 124.744 127.295 -2.551 1
1 732 . 10 1 1 A 66 66 ASP H H 66 7.472 7.509 -0.037 1
1 733 . 10 1 1 A 66 66 ASP HA H 66 4.857 4.516 0.341 1
1 736 . 10 1 1 A 66 66 ASP C C 66 175.635 175.754 -0.119 1
1 737 . 10 1 1 A 66 66 ASP CA C 66 52.192 53.880 -1.688 1
1 738 . 10 1 1 A 66 66 ASP CB C 66 41.603 40.573 1.030 1
1 739 . 10 1 1 A 66 66 ASP N N 66 117.457 118.047 -0.590 1
1 740 . 10 1 1 A 67 67 ASP H H 67 8.541 8.768 -0.227 1
1 741 . 10 1 1 A 67 67 ASP HA H 67 4.209 4.191 0.018 1
1 744 . 10 1 1 A 67 67 ASP C C 67 176.292 178.201 -1.909 1
1 745 . 10 1 1 A 67 67 ASP CA C 67 56.925 57.336 -0.411 1
1 746 . 10 1 1 A 67 67 ASP CB C 67 40.835 40.234 0.601 1
1 747 . 10 1 1 A 67 67 ASP N N 67 124.544 125.035 -0.491 1
1 748 . 10 1 1 A 68 68 TYR H H 68 7.701 7.467 0.234 1
1 749 . 10 1 1 A 68 68 TYR HA H 68 4.589 4.288 0.301 1
1 756 . 10 1 1 A 68 68 TYR C C 68 175.742 175.913 -0.171 1
1 757 . 10 1 1 A 68 68 TYR CA C 68 56.622 58.414 -1.792 1
1 758 . 10 1 1 A 68 68 TYR CB C 68 37.607 37.449 0.158 1
1 761 . 10 1 1 A 68 68 TYR N N 68 112.752 116.409 -3.657 1
1 762 . 10 1 1 A 69 69 ARG H H 69 7.182 7.231 -0.049 1
1 763 . 10 1 1 A 69 69 ARG HA H 69 4.245 4.211 0.034 1
1 771 . 10 1 1 A 69 69 ARG C C 69 175.443 175.493 -0.050 1
1 772 . 10 1 1 A 69 69 ARG CA C 69 56.056 55.474 0.582 1
1 773 . 10 1 1 A 69 69 ARG CB C 69 31.536 30.886 0.650 1
1 776 . 10 1 1 A 69 69 ARG N N 69 122.155 122.333 -0.178 1
1 778 . 10 1 1 A 70 70 ASN H H 70 8.749 8.864 -0.115 1
1 779 . 10 1 1 A 70 70 ASN HA H 70 5.068 5.240 -0.172 1
1 784 . 10 1 1 A 70 70 ASN C C 70 177.349 176.405 0.944 1
1 785 . 10 1 1 A 70 70 ASN CA C 70 52.528 51.716 0.812 1
1 786 . 10 1 1 A 70 70 ASN CB C 70 39.856 40.677 -0.821 1
1 787 . 10 1 1 A 70 70 ASN N N 70 120.300 120.205 0.095 1
1 789 . 10 1 1 A 71 71 LEU H H 71 8.603 8.929 -0.326 1
1 790 . 10 1 1 A 71 71 LEU HA H 71 3.943 4.156 -0.213 1
1 800 . 10 1 1 A 71 71 LEU C C 71 179.470 179.028 0.442 1
1 801 . 10 1 1 A 71 71 LEU CA C 71 58.074 57.820 0.254 1
1 802 . 10 1 1 A 71 71 LEU CB C 71 39.446 41.491 -2.045 1
1 806 . 10 1 1 A 71 71 LEU N N 71 118.872 123.938 -5.066 1
1 807 . 10 1 1 A 72 72 ASN H H 72 8.561 8.718 -0.157 1
1 808 . 10 1 1 A 72 72 ASN HA H 72 4.394 4.387 0.007 1
1 813 . 10 1 1 A 72 72 ASN C C 72 178.592 177.201 1.391 1
1 814 . 10 1 1 A 72 72 ASN CA C 72 56.065 55.604 0.461 1
1 815 . 10 1 1 A 72 72 ASN CB C 72 37.663 37.320 0.343 1
1 816 . 10 1 1 A 72 72 ASN N N 72 115.744 117.039 -1.295 1
1 818 . 10 1 1 A 73 73 GLU H H 73 7.979 7.848 0.131 1
1 819 . 10 1 1 A 73 73 GLU HA H 73 4.041 3.991 0.050 1
1 824 . 10 1 1 A 73 73 GLU C C 73 177.778 178.196 -0.418 1
1 825 . 10 1 1 A 73 73 GLU CA C 73 58.680 58.854 -0.174 1
1 826 . 10 1 1 A 73 73 GLU CB C 73 29.114 29.311 -0.197 1
1 828 . 10 1 1 A 73 73 GLU N N 73 121.014 119.604 1.410 1
1 829 . 10 1 1 A 74 74 TYR H H 74 7.500 7.558 -0.058 1
1 830 . 10 1 1 A 74 74 TYR HA H 74 4.567 4.632 -0.065 1
1 837 . 10 1 1 A 74 74 TYR C C 74 175.592 176.049 -0.457 1
1 838 . 10 1 1 A 74 74 TYR CA C 74 58.790 58.110 0.680 1
1 839 . 10 1 1 A 74 74 TYR CB C 74 39.440 38.792 0.648 1
1 842 . 10 1 1 A 74 74 TYR N N 74 115.573 116.677 -1.104 1
1 843 . 10 1 1 A 75 75 GLY H H 75 7.702 7.944 -0.242 1
1 844 . 10 1 1 A 75 75 GLY HA2 H 75 4.274 4.001 0.273 1
1 845 . 10 1 1 A 75 75 GLY HA3 H 75 3.749 4.055 -0.306 1
1 846 . 10 1 1 A 75 75 GLY C C 75 174.007 174.749 -0.742 1
1 847 . 10 1 1 A 75 75 GLY CA C 75 45.133 46.455 -1.322 1
1 848 . 10 1 1 A 75 75 GLY N N 75 105.620 108.611 -2.991 1
1 849 . 10 1 1 A 76 76 ILE H H 76 6.628 8.142 -1.514 1
1 850 . 10 1 1 A 76 76 ILE HA H 76 3.170 3.892 -0.722 1
1 860 . 10 1 1 A 76 76 ILE C C 76 174.607 174.931 -0.324 1
1 861 . 10 1 1 A 76 76 ILE CA C 76 62.037 61.167 0.870 1
1 862 . 10 1 1 A 76 76 ILE CB C 76 36.805 37.613 -0.808 1
1 866 . 10 1 1 A 76 76 ILE N N 76 120.041 121.606 -1.565 1
1 867 . 10 1 1 A 77 77 THR H H 77 8.437 8.642 -0.205 1
1 868 . 10 1 1 A 77 77 THR HA H 77 4.420 4.829 -0.409 1
1 873 . 10 1 1 A 77 77 THR C C 77 172.893 174.902 -2.009 1
1 874 . 10 1 1 A 77 77 THR CA C 77 58.687 59.365 -0.678 1
1 875 . 10 1 1 A 77 77 THR CB C 77 70.917 71.350 -0.433 1
1 877 . 10 1 1 A 77 77 THR N N 77 121.014 120.120 0.894 1
1 878 . 10 1 1 A 78 78 GLU H H 78 8.235 8.996 -0.761 1
1 879 . 10 1 1 A 78 78 GLU HA H 78 4.088 4.199 -0.111 1
1 884 . 10 1 1 A 78 78 GLU C C 78 177.242 176.179 1.063 1
1 885 . 10 1 1 A 78 78 GLU CA C 78 58.254 56.949 1.305 1
1 886 . 10 1 1 A 78 78 GLU CB C 78 29.336 28.311 1.025 1
1 888 . 10 1 1 A 78 78 GLU N N 78 121.643 123.760 -2.117 1
1 889 . 10 1 1 A 79 79 PHE H H 79 9.152 7.871 1.281 1
1 890 . 10 1 1 A 79 79 PHE HA H 79 4.363 4.812 -0.449 1
1 895 . 10 1 1 A 79 79 PHE C C 79 176.385 175.248 1.137 1
1 896 . 10 1 1 A 79 79 PHE CA C 79 59.552 57.703 1.849 1
1 897 . 10 1 1 A 79 79 PHE CB C 79 36.282 39.863 -3.581 1
1 899 . 10 1 1 A 79 79 PHE N N 79 118.909 119.146 -0.237 1
1 900 . 10 1 1 A 80 80 SER H H 80 8.341 7.667 0.674 1
1 901 . 10 1 1 A 80 80 SER HA H 80 4.576 4.822 -0.246 1
1 904 . 10 1 1 A 80 80 SER C C 80 171.629 174.448 -2.819 1
1 905 . 10 1 1 A 80 80 SER CA C 80 61.398 56.884 4.514 1
1 906 . 10 1 1 A 80 80 SER CB C 80 64.796 64.599 0.197 1
1 907 . 10 1 1 A 80 80 SER N N 80 118.396 113.978 4.418 1
1 908 . 10 1 1 A 81 81 GLU H H 81 8.692 8.881 -0.189 1
1 909 . 10 1 1 A 81 81 GLU HA H 81 5.115 4.673 0.442 1
1 914 . 10 1 1 A 81 81 GLU C C 81 174.993 175.300 -0.307 1
1 915 . 10 1 1 A 81 81 GLU CA C 81 54.749 55.523 -0.774 1
1 916 . 10 1 1 A 81 81 GLU CB C 81 31.666 29.980 1.686 1
1 918 . 10 1 1 A 81 81 GLU N N 81 122.155 123.665 -1.510 1
1 919 . 10 1 1 A 82 82 ILE H H 82 9.335 8.834 0.501 1
1 920 . 10 1 1 A 82 82 ILE HA H 82 4.796 4.568 0.228 1
1 930 . 10 1 1 A 82 82 ILE C C 82 174.350 175.327 -0.977 1
1 931 . 10 1 1 A 82 82 ILE CA C 82 58.543 60.803 -2.260 1
1 932 . 10 1 1 A 82 82 ILE CB C 82 39.050 36.984 2.066 1
1 936 . 10 1 1 A 82 82 ILE N N 82 127.389 126.467 0.922 1
1 937 . 10 1 1 A 83 83 VAL H H 83 9.136 9.206 -0.070 1
1 938 . 10 1 1 A 83 83 VAL HA H 83 4.359 4.230 0.129 1
1 946 . 10 1 1 A 83 83 VAL C C 83 174.971 175.402 -0.431 1
1 947 . 10 1 1 A 83 83 VAL CA C 83 61.756 62.346 -0.590 1
1 948 . 10 1 1 A 83 83 VAL CB C 83 33.537 31.983 1.554 1
1 951 . 10 1 1 A 83 83 VAL N N 83 128.322 128.376 -0.054 1
1 952 . 10 1 1 A 84 84 VAL H H 84 8.019 8.984 -0.965 1
1 953 . 10 1 1 A 84 84 VAL HA H 84 4.524 4.513 0.011 1
1 961 . 10 1 1 A 84 84 VAL C C 84 175.090 175.114 -0.024 1
1 962 . 10 1 1 A 84 84 VAL CA C 84 61.268 61.402 -0.134 1
1 963 . 10 1 1 A 84 84 VAL CB C 84 32.543 31.295 1.248 1
1 966 . 10 1 1 A 84 84 VAL N N 84 125.746 128.278 -2.532 1
1 967 . 10 1 1 A 85 85 PHE H H 85 9.165 8.855 0.310 1
1 968 . 10 1 1 A 85 85 PHE HA H 85 4.795 4.953 -0.158 1
1 976 . 10 1 1 A 85 85 PHE C C 85 174.414 174.708 -0.294 1
1 977 . 10 1 1 A 85 85 PHE CA C 85 55.636 56.329 -0.693 1
1 978 . 10 1 1 A 85 85 PHE CB C 85 41.618 40.797 0.821 1
1 982 . 10 1 1 A 85 85 PHE N N 85 126.921 126.470 0.451 1
1 983 . 10 1 1 A 86 86 LEU H H 86 8.314 9.167 -0.853 1
1 984 . 10 1 1 A 86 86 LEU HA H 86 5.103 4.984 0.119 1
1 994 . 10 1 1 A 86 86 LEU C C 86 177.221 176.269 0.952 1
1 995 . 10 1 1 A 86 86 LEU CA C 86 52.667 53.415 -0.748 1
1 996 . 10 1 1 A 86 86 LEU CB C 86 42.493 42.718 -0.225 1
1 1000 . 10 1 1 A 86 86 LEU N N 86 122.166 124.061 -1.895 1
1 1001 . 10 1 1 A 87 87 LYS H H 87 9.006 8.499 0.507 1
1 1002 . 10 1 1 A 87 87 LYS HA H 87 4.276 4.526 -0.250 1
1 1011 . 10 1 1 A 87 87 LYS C C 87 176.685 176.405 0.280 1
1 1012 . 10 1 1 A 87 87 LYS CA C 87 56.069 55.864 0.205 1
1 1013 . 10 1 1 A 87 87 LYS CB C 87 33.751 32.221 1.530 1
1 1017 . 10 1 1 A 87 87 LYS N N 87 124.552 126.001 -1.449 1
1 1018 . 10 1 1 A 88 88 SER H H 88 8.640 8.943 -0.303 1
1 1019 . 10 1 1 A 88 88 SER HA H 88 4.461 4.669 -0.208 1
1 1022 . 10 1 1 A 88 88 SER C C 88 174.671 175.234 -0.563 1
1 1023 . 10 1 1 A 88 88 SER CA C 88 58.244 57.950 0.294 1
1 1024 . 10 1 1 A 88 88 SER CB C 88 63.518 62.560 0.958 1
1 1025 . 10 1 1 A 88 88 SER N N 88 118.741 123.486 -4.745 1
1 1026 . 10 1 1 A 89 89 ILE H H 89 8.401 7.749 0.652 1
1 1027 . 10 1 1 A 89 89 ILE HA H 89 4.173 3.966 0.207 1
1 1037 . 10 1 1 A 89 89 ILE C C 89 175.828 175.643 0.185 1
1 1038 . 10 1 1 A 89 89 ILE CA C 89 61.240 63.540 -2.300 1
1 1039 . 10 1 1 A 89 89 ILE CB C 89 38.930 37.540 1.390 1
1 1043 . 10 1 1 A 89 89 ILE N N 89 122.196 119.072 3.124 1
1 1044 . 10 1 1 A 90 90 ASN H H 90 8.479 7.811 0.668 1
1 1045 . 10 1 1 A 90 90 ASN HA H 90 4.709 4.991 -0.282 1
1 1050 . 10 1 1 A 90 90 ASN C C 90 174.971 173.749 1.222 1
1 1051 . 10 1 1 A 90 90 ASN CA C 90 52.863 51.850 1.013 1
1 1052 . 10 1 1 A 90 90 ASN CB C 90 38.726 38.703 0.023 1
1 1053 . 10 1 1 A 90 90 ASN N N 90 122.645 120.466 2.179 1
1 1055 . 10 1 1 A 91 91 ARG H H 91 8.340 8.984 -0.644 1
1 1056 . 10 1 1 A 91 91 ARG HA H 91 4.321 5.007 -0.686 1
1 1063 . 10 1 1 A 91 91 ARG C C 91 175.850 174.909 0.941 1
1 1064 . 10 1 1 A 91 91 ARG CA C 91 55.708 54.980 0.728 1
1 1065 . 10 1 1 A 91 91 ARG CB C 91 30.704 32.229 -1.525 1
1 1068 . 10 1 1 A 91 91 ARG N N 91 122.190 128.038 -5.848 1
1 1069 . 10 1 1 A 92 92 ALA H H 92 8.310 8.530 -0.220 1
1 1070 . 10 1 1 A 92 92 ALA HA H 92 4.292 4.777 -0.485 1
1 1074 . 10 1 1 A 92 92 ALA C C 92 177.456 175.651 1.805 1
1 1075 . 10 1 1 A 92 92 ALA CA C 92 52.524 51.559 0.965 1
1 1076 . 10 1 1 A 92 92 ALA CB C 92 19.254 19.670 -0.416 1
1 1077 . 10 1 1 A 92 92 ALA N N 92 125.492 128.858 -3.366 1
1 1078 . 10 1 1 A 93 93 LYS H H 93 8.189 8.868 -0.679 1
1 1079 . 10 1 1 A 93 93 LYS HA H 93 4.318 4.602 -0.284 1
1 1088 . 10 1 1 A 93 93 LYS C C 93 175.357 175.511 -0.154 1
1 1089 . 10 1 1 A 93 93 LYS CA C 93 56.059 56.439 -0.380 1
1 1090 . 10 1 1 A 93 93 LYS CB C 93 33.101 32.738 0.363 1
1 1094 . 10 1 1 A 93 93 LYS N N 93 120.307 126.063 -5.756 1
1 1 . 11 1 1 A 11 11 ALA HA H 11 4.252 4.170 0.082 1
1 5 . 11 1 1 A 11 11 ALA CA C 11 52.471 52.319 0.152 1
1 6 . 11 1 1 A 11 11 ALA CB C 11 19.020 19.124 -0.104 1
1 7 . 11 1 1 A 12 12 ALA H H 12 8.179 8.474 -0.295 1
1 8 . 11 1 1 A 12 12 ALA HA H 12 4.291 4.472 -0.181 1
1 12 . 11 1 1 A 12 12 ALA C C 12 177.662 176.189 1.473 1
1 13 . 11 1 1 A 12 12 ALA CA C 12 52.444 51.622 0.822 1
1 14 . 11 1 1 A 12 12 ALA CB C 12 18.943 17.585 1.358 1
1 15 . 11 1 1 A 12 12 ALA N N 12 123.114 123.338 -0.224 1
1 16 . 11 1 1 A 13 13 VAL H H 13 8.006 7.962 0.044 1
1 17 . 11 1 1 A 13 13 VAL HA H 13 4.100 4.715 -0.615 1
1 25 . 11 1 1 A 13 13 VAL C C 13 175.990 173.865 2.125 1
1 26 . 11 1 1 A 13 13 VAL CA C 13 62.182 60.112 2.070 1
1 27 . 11 1 1 A 13 13 VAL CB C 13 32.442 35.396 -2.954 1
1 29 . 11 1 1 A 13 13 VAL N N 13 119.213 121.545 -2.332 1
1 30 . 11 1 1 A 14 14 ARG H H 14 8.329 8.511 -0.182 1
1 31 . 11 1 1 A 14 14 ARG HA H 14 4.344 4.692 -0.348 1
1 38 . 11 1 1 A 14 14 ARG C C 14 175.844 175.805 0.039 1
1 39 . 11 1 1 A 14 14 ARG CA C 14 56.071 55.018 1.053 1
1 40 . 11 1 1 A 14 14 ARG CB C 14 31.099 31.789 -0.690 1
1 43 . 11 1 1 A 14 14 ARG N N 14 125.039 126.975 -1.936 1
1 44 . 11 1 1 A 15 15 LYS H H 15 8.147 8.489 -0.342 1
1 45 . 11 1 1 A 15 15 LYS HA H 15 4.552 4.412 0.140 1
1 54 . 11 1 1 A 15 15 LYS C C 15 176.186 177.014 -0.828 1
1 55 . 11 1 1 A 15 15 LYS CA C 15 55.632 56.431 -0.799 1
1 56 . 11 1 1 A 15 15 LYS CB C 15 33.543 33.116 0.427 1
1 60 . 11 1 1 A 15 15 LYS N N 15 121.711 122.751 -1.040 1
1 61 . 11 1 1 A 16 16 ILE H H 16 8.764 8.989 -0.225 1
1 62 . 11 1 1 A 16 16 ILE HA H 16 4.508 4.678 -0.170 1
1 72 . 11 1 1 A 16 16 ILE C C 16 174.333 174.797 -0.464 1
1 73 . 11 1 1 A 16 16 ILE CA C 16 59.343 59.515 -0.172 1
1 74 . 11 1 1 A 16 16 ILE CB C 16 41.575 39.588 1.987 1
1 78 . 11 1 1 A 16 16 ILE N N 16 116.484 119.021 -2.537 1
1 79 . 11 1 1 A 17 17 HIS H H 17 8.659 8.751 -0.092 1
1 80 . 11 1 1 A 17 17 HIS HA H 17 5.130 4.982 0.148 1
1 85 . 11 1 1 A 17 17 HIS C C 17 174.788 175.310 -0.522 1
1 86 . 11 1 1 A 17 17 HIS CA C 17 55.562 55.028 0.534 1
1 87 . 11 1 1 A 17 17 HIS CB C 17 30.047 28.779 1.268 1
1 90 . 11 1 1 A 17 17 HIS N N 17 119.826 122.437 -2.611 1
1 93 . 11 1 1 A 18 18 VAL H H 18 8.788 8.574 0.214 1
1 94 . 11 1 1 A 18 18 VAL HA H 18 4.681 4.532 0.149 1
1 102 . 11 1 1 A 18 18 VAL C C 18 174.631 174.995 -0.364 1
1 103 . 11 1 1 A 18 18 VAL CA C 18 59.568 60.924 -1.356 1
1 104 . 11 1 1 A 18 18 VAL CB C 18 34.191 32.935 1.256 1
1 107 . 11 1 1 A 18 18 VAL N N 18 117.203 120.580 -3.377 1
1 108 . 11 1 1 A 19 19 THR H H 19 8.746 8.930 -0.184 1
1 109 . 11 1 1 A 19 19 THR HA H 19 4.603 4.724 -0.121 1
1 114 . 11 1 1 A 19 19 THR C C 19 172.422 174.019 -1.597 1
1 115 . 11 1 1 A 19 19 THR CA C 19 62.159 62.073 0.086 1
1 116 . 11 1 1 A 19 19 THR CB C 19 69.640 69.235 0.405 1
1 118 . 11 1 1 A 19 19 THR N N 19 121.216 120.913 0.303 1
1 119 . 11 1 1 A 20 20 VAL H H 20 9.268 9.241 0.027 1
1 120 . 11 1 1 A 20 20 VAL HA H 20 4.426 4.529 -0.103 1
1 128 . 11 1 1 A 20 20 VAL C C 20 174.013 174.612 -0.599 1
1 129 . 11 1 1 A 20 20 VAL CA C 20 61.312 61.235 0.077 1
1 130 . 11 1 1 A 20 20 VAL CB C 20 31.567 32.314 -0.747 1
1 133 . 11 1 1 A 20 20 VAL N N 20 128.437 128.008 0.429 1
1 134 . 11 1 1 A 21 21 LYS H H 21 9.147 9.109 0.038 1
1 135 . 11 1 1 A 21 21 LYS HA H 21 4.759 4.784 -0.025 1
1 144 . 11 1 1 A 21 21 LYS C C 21 175.935 175.326 0.609 1
1 145 . 11 1 1 A 21 21 LYS CA C 21 55.384 54.989 0.395 1
1 146 . 11 1 1 A 21 21 LYS CB C 21 34.197 33.671 0.526 1
1 150 . 11 1 1 A 21 21 LYS N N 21 126.951 127.652 -0.701 1
1 151 . 11 1 1 A 22 22 PHE H H 22 8.938 8.953 -0.015 1
1 152 . 11 1 1 A 22 22 PHE HA H 22 4.846 4.713 0.133 1
1 158 . 11 1 1 A 22 22 PHE C C 22 174.843 175.765 -0.922 1
1 159 . 11 1 1 A 22 22 PHE CA C 22 56.918 56.281 0.637 1
1 160 . 11 1 1 A 22 22 PHE CB C 22 39.021 40.455 -1.434 1
1 163 . 11 1 1 A 22 22 PHE N N 22 127.843 123.831 4.012 1
1 164 . 11 1 1 A 23 23 PRO HA H 23 4.192 4.473 -0.281 1
1 171 . 11 1 1 A 23 23 PRO C C 23 177.813 177.369 0.444 1
1 172 . 11 1 1 A 23 23 PRO CA C 23 66.150 64.320 1.830 1
1 173 . 11 1 1 A 23 23 PRO CB C 23 31.588 31.741 -0.153 1
1 176 . 11 1 1 A 24 24 SER H H 24 8.115 8.606 -0.491 1
1 177 . 11 1 1 A 24 24 SER HA H 24 4.772 4.655 0.117 1
1 180 . 11 1 1 A 24 24 SER C C 24 173.836 174.947 -1.111 1
1 181 . 11 1 1 A 24 24 SER CA C 24 56.928 59.956 -3.028 1
1 182 . 11 1 1 A 24 24 SER CB C 24 64.789 64.871 -0.082 1
1 183 . 11 1 1 A 24 24 SER N N 24 106.127 113.299 -7.172 1
1 184 . 11 1 1 A 25 25 LYS H H 25 7.321 7.870 -0.549 1
1 185 . 11 1 1 A 25 25 LYS HA H 25 4.739 4.779 -0.040 1
1 194 . 11 1 1 A 25 25 LYS C C 25 172.915 174.086 -1.171 1
1 195 . 11 1 1 A 25 25 LYS CA C 25 55.863 54.702 1.161 1
1 196 . 11 1 1 A 25 25 LYS CB C 25 34.621 35.647 -1.026 1
1 200 . 11 1 1 A 25 25 LYS N N 25 118.386 115.062 3.324 1
1 201 . 11 1 1 A 26 26 GLN H H 26 8.566 8.716 -0.150 1
1 202 . 11 1 1 A 26 26 GLN HA H 26 5.708 5.316 0.392 1
1 209 . 11 1 1 A 26 26 GLN C C 26 174.179 174.486 -0.307 1
1 210 . 11 1 1 A 26 26 GLN CA C 26 53.888 54.398 -0.510 1
1 211 . 11 1 1 A 26 26 GLN CB C 26 32.884 32.473 0.411 1
1 213 . 11 1 1 A 26 26 GLN N N 26 117.444 120.459 -3.015 1
1 215 . 11 1 1 A 27 27 PHE H H 27 8.564 8.746 -0.182 1
1 216 . 11 1 1 A 27 27 PHE HA H 27 5.085 5.304 -0.219 1
1 224 . 11 1 1 A 27 27 PHE C C 27 173.234 172.296 0.938 1
1 225 . 11 1 1 A 27 27 PHE CA C 27 55.993 55.990 0.003 1
1 226 . 11 1 1 A 27 27 PHE CB C 27 40.088 41.267 -1.179 1
1 230 . 11 1 1 A 27 27 PHE N N 27 117.565 121.132 -3.567 1
1 231 . 11 1 1 A 28 28 THR H H 28 8.801 8.786 0.015 1
1 232 . 11 1 1 A 28 28 THR HA H 28 5.419 5.475 -0.056 1
1 237 . 11 1 1 A 28 28 THR C C 28 174.650 173.649 1.001 1
1 238 . 11 1 1 A 28 28 THR CA C 28 61.203 61.341 -0.138 1
1 239 . 11 1 1 A 28 28 THR CB C 28 70.508 71.478 -0.970 1
1 241 . 11 1 1 A 28 28 THR N N 28 115.093 114.746 0.347 1
1 242 . 11 1 1 A 29 29 VAL H H 29 8.983 9.226 -0.243 1
1 243 . 11 1 1 A 29 29 VAL HA H 29 4.549 4.821 -0.272 1
1 251 . 11 1 1 A 29 29 VAL C C 29 173.686 174.593 -0.907 1
1 252 . 11 1 1 A 29 29 VAL CA C 29 60.118 60.342 -0.224 1
1 253 . 11 1 1 A 29 29 VAL CB C 29 35.498 35.474 0.024 1
1 256 . 11 1 1 A 29 29 VAL N N 29 121.743 125.217 -3.474 1
1 257 . 11 1 1 A 30 30 GLU H H 30 8.460 8.628 -0.168 1
1 258 . 11 1 1 A 30 30 GLU HA H 30 4.894 4.761 0.133 1
1 263 . 11 1 1 A 30 30 GLU C C 30 175.807 176.128 -0.321 1
1 264 . 11 1 1 A 30 30 GLU CA C 30 54.922 56.053 -1.131 1
1 265 . 11 1 1 A 30 30 GLU CB C 30 31.123 30.421 0.702 1
1 267 . 11 1 1 A 30 30 GLU N N 30 125.512 127.130 -1.618 1
1 268 . 11 1 1 A 31 31 VAL H H 31 8.917 8.675 0.242 1
1 269 . 11 1 1 A 31 31 VAL HA H 31 4.634 4.748 -0.114 1
1 277 . 11 1 1 A 31 31 VAL C C 31 174.136 173.923 0.213 1
1 278 . 11 1 1 A 31 31 VAL CA C 31 58.299 58.812 -0.513 1
1 279 . 11 1 1 A 31 31 VAL CB C 31 35.067 35.475 -0.408 1
1 282 . 11 1 1 A 31 31 VAL N N 31 118.900 117.563 1.337 1
1 283 . 11 1 1 A 32 32 ASP H H 32 9.032 8.376 0.656 1
1 284 . 11 1 1 A 32 32 ASP HA H 32 4.943 4.523 0.420 1
1 287 . 11 1 1 A 32 32 ASP C C 32 177.992 177.250 0.742 1
1 288 . 11 1 1 A 32 32 ASP CA C 32 53.428 54.227 -0.799 1
1 289 . 11 1 1 A 32 32 ASP CB C 32 42.939 42.600 0.339 1
1 290 . 11 1 1 A 32 32 ASP N N 32 121.708 124.540 -2.832 1
1 291 . 11 1 1 A 33 33 ARG H H 33 8.847 8.914 -0.067 1
1 292 . 11 1 1 A 33 33 ARG HA H 33 3.952 3.982 -0.030 1
1 299 . 11 1 1 A 33 33 ARG C C 33 176.257 177.292 -1.035 1
1 300 . 11 1 1 A 33 33 ARG CA C 33 59.113 59.173 -0.060 1
1 301 . 11 1 1 A 33 33 ARG CB C 33 30.011 29.724 0.287 1
1 304 . 11 1 1 A 33 33 ARG N N 33 121.873 124.740 -2.867 1
1 305 . 11 1 1 A 34 34 THR H H 34 8.058 8.310 -0.252 1
1 306 . 11 1 1 A 34 34 THR HA H 34 4.350 4.377 -0.027 1
1 311 . 11 1 1 A 34 34 THR C C 34 174.371 174.668 -0.297 1
1 312 . 11 1 1 A 34 34 THR CA C 34 60.432 62.066 -1.634 1
1 313 . 11 1 1 A 34 34 THR CB C 34 68.739 69.391 -0.652 1
1 315 . 11 1 1 A 34 34 THR N N 34 104.720 108.597 -3.877 1
1 316 . 11 1 1 A 35 35 GLU H H 35 7.473 7.741 -0.268 1
1 317 . 11 1 1 A 35 35 GLU HA H 35 4.239 4.190 0.049 1
1 322 . 11 1 1 A 35 35 GLU C C 35 176.021 175.806 0.215 1
1 323 . 11 1 1 A 35 35 GLU CA C 35 56.921 56.901 0.020 1
1 324 . 11 1 1 A 35 35 GLU CB C 35 31.086 29.892 1.194 1
1 326 . 11 1 1 A 35 35 GLU N N 35 123.129 123.847 -0.718 1
1 327 . 11 1 1 A 36 36 THR H H 36 8.432 8.580 -0.148 1
1 328 . 11 1 1 A 36 36 THR HA H 36 4.987 4.997 -0.010 1
1 333 . 11 1 1 A 36 36 THR C C 36 175.939 176.177 -0.238 1
1 334 . 11 1 1 A 36 36 THR CA C 36 60.249 60.698 -0.449 1
1 335 . 11 1 1 A 36 36 THR CB C 36 71.783 71.243 0.540 1
1 337 . 11 1 1 A 36 36 THR N N 36 112.476 116.544 -4.068 1
1 338 . 11 1 1 A 37 37 VAL H H 37 8.087 8.891 -0.804 1
1 339 . 11 1 1 A 37 37 VAL HA H 37 3.411 3.643 -0.232 1
1 347 . 11 1 1 A 37 37 VAL C C 37 178.249 177.367 0.882 1
1 348 . 11 1 1 A 37 37 VAL CA C 37 67.397 66.569 0.828 1
1 349 . 11 1 1 A 37 37 VAL CB C 37 31.567 31.442 0.125 1
1 352 . 11 1 1 A 37 37 VAL N N 37 121.215 122.782 -1.567 1
1 353 . 11 1 1 A 38 38 SER H H 38 8.863 7.751 1.112 1
1 354 . 11 1 1 A 38 38 SER HA H 38 4.760 4.238 0.522 1
1 357 . 11 1 1 A 38 38 SER C C 38 176.814 176.503 0.311 1
1 358 . 11 1 1 A 38 38 SER CA C 38 57.746 61.511 -3.765 1
1 359 . 11 1 1 A 38 38 SER CB C 38 62.627 62.571 0.056 1
1 360 . 11 1 1 A 38 38 SER N N 38 112.752 114.507 -1.755 1
1 361 . 11 1 1 A 39 39 SER H H 39 7.999 7.721 0.278 1
1 362 . 11 1 1 A 39 39 SER HA H 39 4.318 4.295 0.023 1
1 365 . 11 1 1 A 39 39 SER C C 39 177.692 177.059 0.633 1
1 366 . 11 1 1 A 39 39 SER CA C 39 61.338 61.181 0.157 1
1 367 . 11 1 1 A 39 39 SER CB C 39 62.349 63.010 -0.661 1
1 368 . 11 1 1 A 39 39 SER N N 39 117.918 117.150 0.768 1
1 369 . 11 1 1 A 40 40 LEU H H 40 8.227 8.325 -0.098 1
1 370 . 11 1 1 A 40 40 LEU HA H 40 4.104 4.043 0.061 1
1 380 . 11 1 1 A 40 40 LEU C C 40 178.420 178.950 -0.530 1
1 381 . 11 1 1 A 40 40 LEU CA C 40 58.235 58.133 0.102 1
1 382 . 11 1 1 A 40 40 LEU CB C 40 40.797 41.748 -0.951 1
1 386 . 11 1 1 A 40 40 LEU N N 40 123.592 123.065 0.527 1
1 387 . 11 1 1 A 41 41 LYS H H 41 8.470 7.981 0.489 1
1 388 . 11 1 1 A 41 41 LYS HA H 41 3.824 3.865 -0.041 1
1 397 . 11 1 1 A 41 41 LYS C C 41 178.476 178.812 -0.336 1
1 398 . 11 1 1 A 41 41 LYS CA C 41 61.313 60.442 0.871 1
1 399 . 11 1 1 A 41 41 LYS CB C 41 32.414 32.013 0.401 1
1 403 . 11 1 1 A 41 41 LYS N N 41 118.401 118.786 -0.385 1
1 404 . 11 1 1 A 42 42 ASP H H 42 7.956 8.115 -0.159 1
1 405 . 11 1 1 A 42 42 ASP HA H 42 4.447 4.307 0.140 1
1 408 . 11 1 1 A 42 42 ASP C C 42 178.806 178.740 0.066 1
1 409 . 11 1 1 A 42 42 ASP CA C 42 57.802 57.503 0.299 1
1 410 . 11 1 1 A 42 42 ASP CB C 42 40.585 41.965 -1.380 1
1 411 . 11 1 1 A 42 42 ASP N N 42 119.295 119.859 -0.564 1
1 412 . 11 1 1 A 43 43 LYS H H 43 8.024 7.689 0.335 1
1 413 . 11 1 1 A 43 43 LYS HA H 43 4.039 4.062 -0.023 1
1 422 . 11 1 1 A 43 43 LYS C C 43 179.941 179.575 0.366 1
1 423 . 11 1 1 A 43 43 LYS CA C 43 60.014 59.190 0.824 1
1 424 . 11 1 1 A 43 43 LYS CB C 43 32.865 32.406 0.459 1
1 428 . 11 1 1 A 43 43 LYS N N 43 119.784 118.109 1.675 1
1 429 . 11 1 1 A 44 44 ILE H H 44 8.480 8.011 0.469 1
1 430 . 11 1 1 A 44 44 ILE HA H 44 3.702 3.831 -0.129 1
1 440 . 11 1 1 A 44 44 ILE C C 44 177.328 178.544 -1.216 1
1 441 . 11 1 1 A 44 44 ILE CA C 44 65.725 64.802 0.923 1
1 442 . 11 1 1 A 44 44 ILE CB C 44 38.110 37.335 0.775 1
1 446 . 11 1 1 A 44 44 ILE N N 44 119.363 120.483 -1.120 1
1 447 . 11 1 1 A 45 45 HIS H H 45 8.635 8.195 0.440 1
1 448 . 11 1 1 A 45 45 HIS HA H 45 4.471 4.239 0.232 1
1 453 . 11 1 1 A 45 45 HIS C C 45 176.407 177.066 -0.659 1
1 454 . 11 1 1 A 45 45 HIS CA C 45 58.451 59.586 -1.135 1
1 455 . 11 1 1 A 45 45 HIS CB C 45 28.055 29.689 -1.634 1
1 458 . 11 1 1 A 45 45 HIS N N 45 118.889 119.914 -1.025 1
1 461 . 11 1 1 A 46 46 ILE H H 46 7.868 7.567 0.301 1
1 462 . 11 1 1 A 46 46 ILE HA H 46 3.571 3.627 -0.056 1
1 472 . 11 1 1 A 46 46 ILE C C 46 177.371 178.209 -0.838 1
1 473 . 11 1 1 A 46 46 ILE CA C 46 63.925 63.626 0.299 1
1 474 . 11 1 1 A 46 46 ILE CB C 46 37.704 37.022 0.682 1
1 478 . 11 1 1 A 46 46 ILE N N 46 118.414 119.069 -0.655 1
1 479 . 11 1 1 A 47 47 VAL H H 47 7.223 7.654 -0.431 1
1 480 . 11 1 1 A 47 47 VAL HA H 47 3.684 3.569 0.115 1
1 488 . 11 1 1 A 47 47 VAL C C 47 176.706 175.866 0.840 1
1 489 . 11 1 1 A 47 47 VAL CA C 47 64.807 65.562 -0.755 1
1 490 . 11 1 1 A 47 47 VAL CB C 47 32.209 32.197 0.012 1
1 493 . 11 1 1 A 47 47 VAL N N 47 116.982 119.810 -2.828 1
1 494 . 11 1 1 A 48 48 GLU H H 48 8.090 8.470 -0.380 1
1 495 . 11 1 1 A 48 48 GLU HA H 48 4.271 4.301 -0.030 1
1 500 . 11 1 1 A 48 48 GLU C C 48 176.042 176.253 -0.211 1
1 501 . 11 1 1 A 48 48 GLU CA C 48 55.062 54.783 0.279 1
1 502 . 11 1 1 A 48 48 GLU CB C 48 31.544 30.506 1.038 1
1 504 . 11 1 1 A 48 48 GLU N N 48 118.849 118.888 -0.039 1
1 505 . 11 1 1 A 49 49 ASN H H 49 8.113 8.447 -0.334 1
1 506 . 11 1 1 A 49 49 ASN HA H 49 4.137 4.782 -0.645 1
1 511 . 11 1 1 A 49 49 ASN C C 49 174.993 175.290 -0.297 1
1 512 . 11 1 1 A 49 49 ASN CA C 49 54.287 53.350 0.937 1
1 513 . 11 1 1 A 49 49 ASN CB C 49 37.647 39.329 -1.682 1
1 514 . 11 1 1 A 49 49 ASN N N 49 118.695 117.949 0.746 1
1 516 . 11 1 1 A 50 50 THR H H 50 7.780 7.510 0.270 1
1 517 . 11 1 1 A 50 50 THR HA H 50 4.483 4.453 0.030 1
1 522 . 11 1 1 A 50 50 THR C C 50 173.107 172.813 0.294 1
1 523 . 11 1 1 A 50 50 THR CA C 50 61.094 60.584 0.510 1
1 524 . 11 1 1 A 50 50 THR CB C 50 70.926 69.407 1.519 1
1 526 . 11 1 1 A 50 50 THR N N 50 118.434 116.644 1.790 1
1 527 . 11 1 1 A 51 51 PRO HA H 51 4.485 4.676 -0.191 1
1 534 . 11 1 1 A 51 51 PRO C C 51 178.067 177.899 0.168 1
1 535 . 11 1 1 A 51 51 PRO CA C 51 63.075 63.019 0.056 1
1 536 . 11 1 1 A 51 51 PRO CB C 51 31.996 32.372 -0.376 1
1 539 . 11 1 1 A 52 52 ILE H H 52 8.530 8.285 0.245 1
1 540 . 11 1 1 A 52 52 ILE HA H 52 3.764 3.833 -0.069 1
1 550 . 11 1 1 A 52 52 ILE C C 52 179.363 178.008 1.355 1
1 551 . 11 1 1 A 52 52 ILE CA C 52 64.855 63.845 1.010 1
1 552 . 11 1 1 A 52 52 ILE CB C 52 38.109 37.733 0.376 1
1 556 . 11 1 1 A 52 52 ILE N N 52 125.501 122.893 2.608 1
1 557 . 11 1 1 A 53 53 LYS H H 53 8.603 7.989 0.614 1
1 558 . 11 1 1 A 53 53 LYS HA H 53 4.180 4.254 -0.074 1
1 567 . 11 1 1 A 53 53 LYS C C 53 177.113 177.453 -0.340 1
1 568 . 11 1 1 A 53 53 LYS CA C 53 57.816 58.724 -0.908 1
1 569 . 11 1 1 A 53 53 LYS CB C 53 31.992 32.061 -0.069 1
1 573 . 11 1 1 A 53 53 LYS N N 53 117.464 120.143 -2.679 1
1 574 . 11 1 1 A 54 54 ARG H H 54 7.479 7.737 -0.258 1
1 575 . 11 1 1 A 54 54 ARG HA H 54 4.361 4.692 -0.331 1
1 582 . 11 1 1 A 54 54 ARG C C 54 175.507 176.076 -0.569 1
1 583 . 11 1 1 A 54 54 ARG CA C 54 56.051 56.751 -0.700 1
1 584 . 11 1 1 A 54 54 ARG CB C 54 31.559 31.314 0.245 1
1 587 . 11 1 1 A 54 54 ARG N N 54 114.601 116.784 -2.183 1
1 588 . 11 1 1 A 55 55 MET H H 55 7.479 7.274 0.205 1
1 589 . 11 1 1 A 55 55 MET HA H 55 4.435 5.098 -0.663 1
1 597 . 11 1 1 A 55 55 MET C C 55 175.276 175.062 0.214 1
1 598 . 11 1 1 A 55 55 MET CA C 55 57.365 53.433 3.932 1
1 599 . 11 1 1 A 55 55 MET CB C 55 35.142 34.438 0.704 1
1 602 . 11 1 1 A 55 55 MET N N 55 116.986 116.923 0.063 1
1 603 . 11 1 1 A 56 56 GLN H H 56 8.958 9.363 -0.405 1
1 604 . 11 1 1 A 56 56 GLN HA H 56 4.502 5.016 -0.514 1
1 611 . 11 1 1 A 56 56 GLN C C 56 173.429 174.540 -1.111 1
1 612 . 11 1 1 A 56 56 GLN CA C 56 54.982 54.291 0.691 1
1 613 . 11 1 1 A 56 56 GLN CB C 56 32.420 31.718 0.702 1
1 615 . 11 1 1 A 56 56 GLN N N 56 124.094 122.406 1.688 1
1 617 . 11 1 1 A 57 57 LEU H H 57 8.603 8.725 -0.122 1
1 618 . 11 1 1 A 57 57 LEU HA H 57 5.190 5.015 0.175 1
1 628 . 11 1 1 A 57 57 LEU C C 57 175.421 175.567 -0.146 1
1 629 . 11 1 1 A 57 57 LEU CA C 57 53.437 53.510 -0.073 1
1 630 . 11 1 1 A 57 57 LEU CB C 57 44.367 43.135 1.232 1
1 634 . 11 1 1 A 57 57 LEU N N 57 124.534 124.472 0.062 1
1 635 . 11 1 1 A 58 58 TYR H H 58 9.319 9.281 0.038 1
1 636 . 11 1 1 A 58 58 TYR HA H 58 5.145 5.299 -0.154 1
1 643 . 11 1 1 A 58 58 TYR C C 58 174.821 174.182 0.639 1
1 644 . 11 1 1 A 58 58 TYR CA C 58 56.503 56.421 0.082 1
1 645 . 11 1 1 A 58 58 TYR CB C 58 43.323 41.009 2.314 1
1 648 . 11 1 1 A 58 58 TYR N N 58 119.746 122.680 -2.934 1
1 649 . 11 1 1 A 59 59 TYR H H 59 8.993 9.371 -0.378 1
1 650 . 11 1 1 A 59 59 TYR HA H 59 5.173 4.857 0.316 1
1 657 . 11 1 1 A 59 59 TYR C C 59 174.980 175.070 -0.090 1
1 658 . 11 1 1 A 59 59 TYR CA C 59 55.625 57.362 -1.737 1
1 659 . 11 1 1 A 59 59 TYR CB C 59 41.981 40.452 1.529 1
1 662 . 11 1 1 A 59 59 TYR N N 59 120.286 126.310 -6.024 1
1 663 . 11 1 1 A 60 60 SER H H 60 9.320 8.842 0.478 1
1 664 . 11 1 1 A 60 60 SER HA H 60 3.668 4.033 -0.365 1
1 667 . 11 1 1 A 60 60 SER C C 60 174.893 174.302 0.591 1
1 668 . 11 1 1 A 60 60 SER CA C 60 57.815 59.512 -1.697 1
1 669 . 11 1 1 A 60 60 SER CB C 60 62.602 61.369 1.233 1
1 670 . 11 1 1 A 60 60 SER N N 60 125.263 123.209 2.054 1
1 671 . 11 1 1 A 61 61 GLY H H 61 8.649 8.405 0.244 1
1 672 . 11 1 1 A 61 61 GLY HA2 H 61 4.035 4.084 -0.049 1
1 673 . 11 1 1 A 61 61 GLY HA3 H 61 3.409 4.136 -0.727 1
1 674 . 11 1 1 A 61 61 GLY C C 61 173.346 174.490 -1.144 1
1 675 . 11 1 1 A 61 61 GLY CA C 61 44.726 45.075 -0.349 1
1 676 . 11 1 1 A 62 62 ILE H H 62 8.128 8.080 0.048 1
1 677 . 11 1 1 A 62 62 ILE HA H 62 4.304 4.081 0.223 1
1 687 . 11 1 1 A 62 62 ILE C C 62 174.950 175.402 -0.452 1
1 688 . 11 1 1 A 62 62 ILE CA C 62 59.396 60.866 -1.470 1
1 689 . 11 1 1 A 62 62 ILE CB C 62 39.110 37.289 1.821 1
1 693 . 11 1 1 A 62 62 ILE N N 62 123.077 122.363 0.714 1
1 694 . 11 1 1 A 63 63 GLU H H 63 8.697 8.827 -0.130 1
1 695 . 11 1 1 A 63 63 GLU HA H 63 3.534 4.265 -0.731 1
1 700 . 11 1 1 A 63 63 GLU C C 63 177.156 175.419 1.737 1
1 701 . 11 1 1 A 63 63 GLU CA C 63 55.231 56.424 -1.193 1
1 702 . 11 1 1 A 63 63 GLU CB C 63 29.804 29.811 -0.007 1
1 704 . 11 1 1 A 63 63 GLU N N 63 127.682 128.615 -0.933 1
1 705 . 11 1 1 A 64 64 LEU H H 64 8.791 8.899 -0.108 1
1 706 . 11 1 1 A 64 64 LEU HA H 64 3.954 4.209 -0.255 1
1 716 . 11 1 1 A 64 64 LEU C C 64 176.428 176.646 -0.218 1
1 717 . 11 1 1 A 64 64 LEU CA C 64 52.211 54.183 -1.972 1
1 718 . 11 1 1 A 64 64 LEU CB C 64 37.239 40.070 -2.831 1
1 722 . 11 1 1 A 64 64 LEU N N 64 130.005 128.869 1.136 1
1 723 . 11 1 1 A 65 65 ALA H H 65 7.369 8.277 -0.908 1
1 724 . 11 1 1 A 65 65 ALA HA H 65 4.052 4.443 -0.391 1
1 728 . 11 1 1 A 65 65 ALA C C 65 176.322 175.849 0.473 1
1 729 . 11 1 1 A 65 65 ALA CA C 65 53.207 51.609 1.598 1
1 730 . 11 1 1 A 65 65 ALA CB C 65 20.170 19.503 0.667 1
1 731 . 11 1 1 A 65 65 ALA N N 65 124.744 126.717 -1.973 1
1 732 . 11 1 1 A 66 66 ASP H H 66 7.472 7.142 0.330 1
1 733 . 11 1 1 A 66 66 ASP HA H 66 4.857 4.555 0.302 1
1 736 . 11 1 1 A 66 66 ASP C C 66 175.635 175.605 0.030 1
1 737 . 11 1 1 A 66 66 ASP CA C 66 52.192 52.245 -0.053 1
1 738 . 11 1 1 A 66 66 ASP CB C 66 41.603 40.043 1.560 1
1 739 . 11 1 1 A 66 66 ASP N N 66 117.457 119.376 -1.919 1
1 740 . 11 1 1 A 67 67 ASP H H 67 8.541 8.585 -0.044 1
1 741 . 11 1 1 A 67 67 ASP HA H 67 4.209 4.287 -0.078 1
1 744 . 11 1 1 A 67 67 ASP C C 67 176.292 177.218 -0.926 1
1 745 . 11 1 1 A 67 67 ASP CA C 67 56.925 56.898 0.027 1
1 746 . 11 1 1 A 67 67 ASP CB C 67 40.835 40.425 0.410 1
1 747 . 11 1 1 A 67 67 ASP N N 67 124.544 124.499 0.045 1
1 748 . 11 1 1 A 68 68 TYR H H 68 7.701 7.284 0.417 1
1 749 . 11 1 1 A 68 68 TYR HA H 68 4.589 4.496 0.093 1
1 756 . 11 1 1 A 68 68 TYR C C 68 175.742 175.799 -0.057 1
1 757 . 11 1 1 A 68 68 TYR CA C 68 56.622 58.201 -1.579 1
1 758 . 11 1 1 A 68 68 TYR CB C 68 37.607 38.680 -1.073 1
1 761 . 11 1 1 A 68 68 TYR N N 68 112.752 116.336 -3.584 1
1 762 . 11 1 1 A 69 69 ARG H H 69 7.182 7.546 -0.364 1
1 763 . 11 1 1 A 69 69 ARG HA H 69 4.245 4.708 -0.463 1
1 771 . 11 1 1 A 69 69 ARG C C 69 175.443 175.696 -0.253 1
1 772 . 11 1 1 A 69 69 ARG CA C 69 56.056 54.838 1.218 1
1 773 . 11 1 1 A 69 69 ARG CB C 69 31.536 31.756 -0.220 1
1 776 . 11 1 1 A 69 69 ARG N N 69 122.155 121.253 0.902 1
1 778 . 11 1 1 A 70 70 ASN H H 70 8.749 9.011 -0.262 1
1 779 . 11 1 1 A 70 70 ASN HA H 70 5.068 5.046 0.022 1
1 784 . 11 1 1 A 70 70 ASN C C 70 177.349 177.011 0.338 1
1 785 . 11 1 1 A 70 70 ASN CA C 70 52.528 52.818 -0.290 1
1 786 . 11 1 1 A 70 70 ASN CB C 70 39.856 39.228 0.628 1
1 787 . 11 1 1 A 70 70 ASN N N 70 120.300 120.603 -0.303 1
1 789 . 11 1 1 A 71 71 LEU H H 71 8.603 9.124 -0.521 1
1 790 . 11 1 1 A 71 71 LEU HA H 71 3.943 4.053 -0.110 1
1 800 . 11 1 1 A 71 71 LEU C C 71 179.470 178.970 0.500 1
1 801 . 11 1 1 A 71 71 LEU CA C 71 58.074 57.851 0.223 1
1 802 . 11 1 1 A 71 71 LEU CB C 71 39.446 41.387 -1.941 1
1 806 . 11 1 1 A 71 71 LEU N N 71 118.872 123.985 -5.113 1
1 807 . 11 1 1 A 72 72 ASN H H 72 8.561 8.018 0.543 1
1 808 . 11 1 1 A 72 72 ASN HA H 72 4.394 4.484 -0.090 1
1 813 . 11 1 1 A 72 72 ASN C C 72 178.592 177.472 1.120 1
1 814 . 11 1 1 A 72 72 ASN CA C 72 56.065 56.178 -0.113 1
1 815 . 11 1 1 A 72 72 ASN CB C 72 37.663 39.666 -2.003 1
1 816 . 11 1 1 A 72 72 ASN N N 72 115.744 118.128 -2.384 1
1 818 . 11 1 1 A 73 73 GLU H H 73 7.979 7.918 0.061 1
1 819 . 11 1 1 A 73 73 GLU HA H 73 4.041 3.999 0.042 1
1 824 . 11 1 1 A 73 73 GLU C C 73 177.778 178.221 -0.443 1
1 825 . 11 1 1 A 73 73 GLU CA C 73 58.680 58.946 -0.266 1
1 826 . 11 1 1 A 73 73 GLU CB C 73 29.114 29.329 -0.215 1
1 828 . 11 1 1 A 73 73 GLU N N 73 121.014 119.151 1.863 1
1 829 . 11 1 1 A 74 74 TYR H H 74 7.500 7.287 0.213 1
1 830 . 11 1 1 A 74 74 TYR HA H 74 4.567 4.578 -0.011 1
1 837 . 11 1 1 A 74 74 TYR C C 74 175.592 175.966 -0.374 1
1 838 . 11 1 1 A 74 74 TYR CA C 74 58.790 58.055 0.735 1
1 839 . 11 1 1 A 74 74 TYR CB C 74 39.440 38.423 1.017 1
1 842 . 11 1 1 A 74 74 TYR N N 74 115.573 116.818 -1.245 1
1 843 . 11 1 1 A 75 75 GLY H H 75 7.702 7.779 -0.077 1
1 844 . 11 1 1 A 75 75 GLY HA2 H 75 4.274 3.930 0.344 1
1 845 . 11 1 1 A 75 75 GLY HA3 H 75 3.749 3.980 -0.231 1
1 846 . 11 1 1 A 75 75 GLY C C 75 174.007 174.647 -0.640 1
1 847 . 11 1 1 A 75 75 GLY CA C 75 45.133 46.047 -0.914 1
1 848 . 11 1 1 A 75 75 GLY N N 75 105.620 108.060 -2.440 1
1 849 . 11 1 1 A 76 76 ILE H H 76 6.628 7.668 -1.040 1
1 850 . 11 1 1 A 76 76 ILE HA H 76 3.170 3.666 -0.496 1
1 860 . 11 1 1 A 76 76 ILE C C 76 174.607 174.946 -0.339 1
1 861 . 11 1 1 A 76 76 ILE CA C 76 62.037 61.234 0.803 1
1 862 . 11 1 1 A 76 76 ILE CB C 76 36.805 37.135 -0.330 1
1 866 . 11 1 1 A 76 76 ILE N N 76 120.041 122.452 -2.411 1
1 867 . 11 1 1 A 77 77 THR H H 77 8.437 8.687 -0.250 1
1 868 . 11 1 1 A 77 77 THR HA H 77 4.420 4.750 -0.330 1
1 873 . 11 1 1 A 77 77 THR C C 77 172.893 172.939 -0.046 1
1 874 . 11 1 1 A 77 77 THR CA C 77 58.687 59.396 -0.709 1
1 875 . 11 1 1 A 77 77 THR CB C 77 70.917 71.041 -0.124 1
1 877 . 11 1 1 A 77 77 THR N N 77 121.014 122.245 -1.231 1
1 878 . 11 1 1 A 78 78 GLU H H 78 8.235 8.650 -0.415 1
1 879 . 11 1 1 A 78 78 GLU HA H 78 4.088 4.061 0.027 1
1 884 . 11 1 1 A 78 78 GLU C C 78 177.242 177.383 -0.141 1
1 885 . 11 1 1 A 78 78 GLU CA C 78 58.254 57.370 0.884 1
1 886 . 11 1 1 A 78 78 GLU CB C 78 29.336 30.138 -0.802 1
1 888 . 11 1 1 A 78 78 GLU N N 78 121.643 124.130 -2.487 1
1 889 . 11 1 1 A 79 79 PHE H H 79 9.152 8.918 0.234 1
1 890 . 11 1 1 A 79 79 PHE HA H 79 4.363 4.006 0.357 1
1 895 . 11 1 1 A 79 79 PHE C C 79 176.385 174.613 1.772 1
1 896 . 11 1 1 A 79 79 PHE CA C 79 59.552 59.156 0.396 1
1 897 . 11 1 1 A 79 79 PHE CB C 79 36.282 35.923 0.359 1
1 899 . 11 1 1 A 79 79 PHE N N 79 118.909 119.520 -0.611 1
1 900 . 11 1 1 A 80 80 SER H H 80 8.341 7.952 0.389 1
1 901 . 11 1 1 A 80 80 SER HA H 80 4.576 4.668 -0.092 1
1 904 . 11 1 1 A 80 80 SER C C 80 171.629 173.707 -2.078 1
1 905 . 11 1 1 A 80 80 SER CA C 80 61.398 58.669 2.729 1
1 906 . 11 1 1 A 80 80 SER CB C 80 64.796 64.292 0.504 1
1 907 . 11 1 1 A 80 80 SER N N 80 118.396 113.923 4.473 1
1 908 . 11 1 1 A 81 81 GLU H H 81 8.692 8.666 0.026 1
1 909 . 11 1 1 A 81 81 GLU HA H 81 5.115 4.575 0.540 1
1 914 . 11 1 1 A 81 81 GLU C C 81 174.993 175.243 -0.250 1
1 915 . 11 1 1 A 81 81 GLU CA C 81 54.749 55.316 -0.567 1
1 916 . 11 1 1 A 81 81 GLU CB C 81 31.666 30.526 1.140 1
1 918 . 11 1 1 A 81 81 GLU N N 81 122.155 124.310 -2.155 1
1 919 . 11 1 1 A 82 82 ILE H H 82 9.335 9.296 0.039 1
1 920 . 11 1 1 A 82 82 ILE HA H 82 4.796 4.736 0.060 1
1 930 . 11 1 1 A 82 82 ILE C C 82 174.350 175.275 -0.925 1
1 931 . 11 1 1 A 82 82 ILE CA C 82 58.543 59.871 -1.328 1
1 932 . 11 1 1 A 82 82 ILE CB C 82 39.050 37.815 1.235 1
1 936 . 11 1 1 A 82 82 ILE N N 82 127.389 127.957 -0.568 1
1 937 . 11 1 1 A 83 83 VAL H H 83 9.136 9.349 -0.213 1
1 938 . 11 1 1 A 83 83 VAL HA H 83 4.359 4.205 0.154 1
1 946 . 11 1 1 A 83 83 VAL C C 83 174.971 175.232 -0.261 1
1 947 . 11 1 1 A 83 83 VAL CA C 83 61.756 62.256 -0.500 1
1 948 . 11 1 1 A 83 83 VAL CB C 83 33.537 31.641 1.896 1
1 951 . 11 1 1 A 83 83 VAL N N 83 128.322 128.474 -0.152 1
1 952 . 11 1 1 A 84 84 VAL H H 84 8.019 9.138 -1.119 1
1 953 . 11 1 1 A 84 84 VAL HA H 84 4.524 4.672 -0.148 1
1 961 . 11 1 1 A 84 84 VAL C C 84 175.090 174.839 0.251 1
1 962 . 11 1 1 A 84 84 VAL CA C 84 61.268 60.753 0.515 1
1 963 . 11 1 1 A 84 84 VAL CB C 84 32.543 32.437 0.106 1
1 966 . 11 1 1 A 84 84 VAL N N 84 125.746 128.325 -2.579 1
1 967 . 11 1 1 A 85 85 PHE H H 85 9.165 8.597 0.568 1
1 968 . 11 1 1 A 85 85 PHE HA H 85 4.795 5.044 -0.249 1
1 976 . 11 1 1 A 85 85 PHE C C 85 174.414 174.863 -0.449 1
1 977 . 11 1 1 A 85 85 PHE CA C 85 55.636 56.112 -0.476 1
1 978 . 11 1 1 A 85 85 PHE CB C 85 41.618 41.425 0.193 1
1 982 . 11 1 1 A 85 85 PHE N N 85 126.921 126.214 0.707 1
1 983 . 11 1 1 A 86 86 LEU H H 86 8.314 9.039 -0.725 1
1 984 . 11 1 1 A 86 86 LEU HA H 86 5.103 4.813 0.290 1
1 994 . 11 1 1 A 86 86 LEU C C 86 177.221 176.809 0.412 1
1 995 . 11 1 1 A 86 86 LEU CA C 86 52.667 53.585 -0.918 1
1 996 . 11 1 1 A 86 86 LEU CB C 86 42.493 42.085 0.408 1
1 1000 . 11 1 1 A 86 86 LEU N N 86 122.166 124.198 -2.032 1
1 1001 . 11 1 1 A 87 87 LYS H H 87 9.006 8.955 0.051 1
1 1002 . 11 1 1 A 87 87 LYS HA H 87 4.276 4.390 -0.114 1
1 1011 . 11 1 1 A 87 87 LYS C C 87 176.685 176.426 0.259 1
1 1012 . 11 1 1 A 87 87 LYS CA C 87 56.069 57.086 -1.017 1
1 1013 . 11 1 1 A 87 87 LYS CB C 87 33.751 33.270 0.481 1
1 1017 . 11 1 1 A 87 87 LYS N N 87 124.552 125.557 -1.005 1
1 1018 . 11 1 1 A 88 88 SER H H 88 8.640 7.512 1.128 1
1 1019 . 11 1 1 A 88 88 SER HA H 88 4.461 4.989 -0.528 1
1 1022 . 11 1 1 A 88 88 SER C C 88 174.671 173.068 1.603 1
1 1023 . 11 1 1 A 88 88 SER CA C 88 58.244 57.130 1.114 1
1 1024 . 11 1 1 A 88 88 SER CB C 88 63.518 65.806 -2.288 1
1 1025 . 11 1 1 A 88 88 SER N N 88 118.741 111.610 7.131 1
1 1026 . 11 1 1 A 89 89 ILE H H 89 8.401 8.787 -0.386 1
1 1027 . 11 1 1 A 89 89 ILE HA H 89 4.173 5.049 -0.876 1
1 1037 . 11 1 1 A 89 89 ILE C C 89 175.828 174.779 1.049 1
1 1038 . 11 1 1 A 89 89 ILE CA C 89 61.240 59.227 2.013 1
1 1039 . 11 1 1 A 89 89 ILE CB C 89 38.930 40.506 -1.576 1
1 1043 . 11 1 1 A 89 89 ILE N N 89 122.196 119.006 3.190 1
1 1044 . 11 1 1 A 90 90 ASN H H 90 8.479 8.689 -0.210 1
1 1045 . 11 1 1 A 90 90 ASN HA H 90 4.709 5.074 -0.365 1
1 1050 . 11 1 1 A 90 90 ASN C C 90 174.971 173.309 1.662 1
1 1051 . 11 1 1 A 90 90 ASN CA C 90 52.863 53.287 -0.424 1
1 1052 . 11 1 1 A 90 90 ASN CB C 90 38.726 42.749 -4.023 1
1 1053 . 11 1 1 A 90 90 ASN N N 90 122.645 122.908 -0.263 1
1 1055 . 11 1 1 A 91 91 ARG H H 91 8.340 8.515 -0.175 1
1 1056 . 11 1 1 A 91 91 ARG HA H 91 4.321 4.540 -0.219 1
1 1063 . 11 1 1 A 91 91 ARG C C 91 175.850 174.982 0.868 1
1 1064 . 11 1 1 A 91 91 ARG CA C 91 55.708 55.478 0.230 1
1 1065 . 11 1 1 A 91 91 ARG CB C 91 30.704 30.035 0.669 1
1 1068 . 11 1 1 A 91 91 ARG N N 91 122.190 126.181 -3.991 1
1 1069 . 11 1 1 A 92 92 ALA H H 92 8.310 8.139 0.171 1
1 1070 . 11 1 1 A 92 92 ALA HA H 92 4.292 4.803 -0.511 1
1 1074 . 11 1 1 A 92 92 ALA C C 92 177.456 176.933 0.523 1
1 1075 . 11 1 1 A 92 92 ALA CA C 92 52.524 51.761 0.763 1
1 1076 . 11 1 1 A 92 92 ALA CB C 92 19.254 19.970 -0.716 1
1 1077 . 11 1 1 A 92 92 ALA N N 92 125.492 128.178 -2.686 1
1 1078 . 11 1 1 A 93 93 LYS H H 93 8.189 8.445 -0.256 1
1 1079 . 11 1 1 A 93 93 LYS HA H 93 4.318 4.417 -0.099 1
1 1088 . 11 1 1 A 93 93 LYS C C 93 175.357 175.782 -0.425 1
1 1089 . 11 1 1 A 93 93 LYS CA C 93 56.059 55.394 0.665 1
1 1090 . 11 1 1 A 93 93 LYS CB C 93 33.101 32.777 0.324 1
1 1094 . 11 1 1 A 93 93 LYS N N 93 120.307 122.538 -2.231 1
1 1 . 12 1 1 A 11 11 ALA HA H 11 4.252 4.571 -0.319 1
1 5 . 12 1 1 A 11 11 ALA CA C 11 52.471 50.665 1.806 1
1 6 . 12 1 1 A 11 11 ALA CB C 11 19.020 22.325 -3.305 1
1 7 . 12 1 1 A 12 12 ALA H H 12 8.179 8.432 -0.253 1
1 8 . 12 1 1 A 12 12 ALA HA H 12 4.291 4.260 0.031 1
1 12 . 12 1 1 A 12 12 ALA C C 12 177.662 177.222 0.440 1
1 13 . 12 1 1 A 12 12 ALA CA C 12 52.444 52.558 -0.114 1
1 14 . 12 1 1 A 12 12 ALA CB C 12 18.943 19.290 -0.347 1
1 15 . 12 1 1 A 12 12 ALA N N 12 123.114 121.435 1.679 1
1 16 . 12 1 1 A 13 13 VAL H H 13 8.006 8.265 -0.259 1
1 17 . 12 1 1 A 13 13 VAL HA H 13 4.100 4.055 0.045 1
1 25 . 12 1 1 A 13 13 VAL C C 13 175.990 174.428 1.562 1
1 26 . 12 1 1 A 13 13 VAL CA C 13 62.182 62.797 -0.615 1
1 27 . 12 1 1 A 13 13 VAL CB C 13 32.442 32.119 0.323 1
1 29 . 12 1 1 A 13 13 VAL N N 13 119.213 123.227 -4.014 1
1 30 . 12 1 1 A 14 14 ARG H H 14 8.329 8.820 -0.491 1
1 31 . 12 1 1 A 14 14 ARG HA H 14 4.344 4.949 -0.605 1
1 38 . 12 1 1 A 14 14 ARG C C 14 175.844 174.797 1.047 1
1 39 . 12 1 1 A 14 14 ARG CA C 14 56.071 54.204 1.867 1
1 40 . 12 1 1 A 14 14 ARG CB C 14 31.099 33.572 -2.473 1
1 43 . 12 1 1 A 14 14 ARG N N 14 125.039 127.793 -2.754 1
1 44 . 12 1 1 A 15 15 LYS H H 15 8.147 8.571 -0.424 1
1 45 . 12 1 1 A 15 15 LYS HA H 15 4.552 4.741 -0.189 1
1 54 . 12 1 1 A 15 15 LYS C C 15 176.186 176.439 -0.253 1
1 55 . 12 1 1 A 15 15 LYS CA C 15 55.632 55.470 0.162 1
1 56 . 12 1 1 A 15 15 LYS CB C 15 33.543 34.040 -0.497 1
1 60 . 12 1 1 A 15 15 LYS N N 15 121.711 121.845 -0.134 1
1 61 . 12 1 1 A 16 16 ILE H H 16 8.764 9.160 -0.396 1
1 62 . 12 1 1 A 16 16 ILE HA H 16 4.508 4.723 -0.215 1
1 72 . 12 1 1 A 16 16 ILE C C 16 174.333 174.863 -0.530 1
1 73 . 12 1 1 A 16 16 ILE CA C 16 59.343 59.529 -0.186 1
1 74 . 12 1 1 A 16 16 ILE CB C 16 41.575 39.662 1.913 1
1 78 . 12 1 1 A 16 16 ILE N N 16 116.484 119.521 -3.037 1
1 79 . 12 1 1 A 17 17 HIS H H 17 8.659 8.879 -0.220 1
1 80 . 12 1 1 A 17 17 HIS HA H 17 5.130 5.021 0.109 1
1 85 . 12 1 1 A 17 17 HIS C C 17 174.788 175.264 -0.476 1
1 86 . 12 1 1 A 17 17 HIS CA C 17 55.562 54.958 0.604 1
1 87 . 12 1 1 A 17 17 HIS CB C 17 30.047 29.168 0.879 1
1 90 . 12 1 1 A 17 17 HIS N N 17 119.826 122.384 -2.558 1
1 93 . 12 1 1 A 18 18 VAL H H 18 8.788 8.436 0.352 1
1 94 . 12 1 1 A 18 18 VAL HA H 18 4.681 4.478 0.203 1
1 102 . 12 1 1 A 18 18 VAL C C 18 174.631 175.217 -0.586 1
1 103 . 12 1 1 A 18 18 VAL CA C 18 59.568 61.242 -1.674 1
1 104 . 12 1 1 A 18 18 VAL CB C 18 34.191 32.893 1.298 1
1 107 . 12 1 1 A 18 18 VAL N N 18 117.203 120.716 -3.513 1
1 108 . 12 1 1 A 19 19 THR H H 19 8.746 8.783 -0.037 1
1 109 . 12 1 1 A 19 19 THR HA H 19 4.603 4.718 -0.115 1
1 114 . 12 1 1 A 19 19 THR C C 19 172.422 173.856 -1.434 1
1 115 . 12 1 1 A 19 19 THR CA C 19 62.159 61.992 0.167 1
1 116 . 12 1 1 A 19 19 THR CB C 19 69.640 69.155 0.485 1
1 118 . 12 1 1 A 19 19 THR N N 19 121.216 120.959 0.257 1
1 119 . 12 1 1 A 20 20 VAL H H 20 9.268 9.220 0.048 1
1 120 . 12 1 1 A 20 20 VAL HA H 20 4.426 4.455 -0.029 1
1 128 . 12 1 1 A 20 20 VAL C C 20 174.013 174.682 -0.669 1
1 129 . 12 1 1 A 20 20 VAL CA C 20 61.312 61.413 -0.101 1
1 130 . 12 1 1 A 20 20 VAL CB C 20 31.567 31.973 -0.406 1
1 133 . 12 1 1 A 20 20 VAL N N 20 128.437 128.001 0.436 1
1 134 . 12 1 1 A 21 21 LYS H H 21 9.147 9.065 0.082 1
1 135 . 12 1 1 A 21 21 LYS HA H 21 4.759 4.790 -0.031 1
1 144 . 12 1 1 A 21 21 LYS C C 21 175.935 175.547 0.388 1
1 145 . 12 1 1 A 21 21 LYS CA C 21 55.384 54.985 0.399 1
1 146 . 12 1 1 A 21 21 LYS CB C 21 34.197 33.997 0.200 1
1 150 . 12 1 1 A 21 21 LYS N N 21 126.951 127.411 -0.460 1
1 151 . 12 1 1 A 22 22 PHE H H 22 8.938 9.076 -0.138 1
1 152 . 12 1 1 A 22 22 PHE HA H 22 4.846 4.730 0.116 1
1 158 . 12 1 1 A 22 22 PHE C C 22 174.843 175.714 -0.871 1
1 159 . 12 1 1 A 22 22 PHE CA C 22 56.918 56.041 0.877 1
1 160 . 12 1 1 A 22 22 PHE CB C 22 39.021 40.611 -1.590 1
1 163 . 12 1 1 A 22 22 PHE N N 22 127.843 123.254 4.589 1
1 164 . 12 1 1 A 23 23 PRO HA H 23 4.192 4.415 -0.223 1
1 171 . 12 1 1 A 23 23 PRO C C 23 177.813 176.153 1.660 1
1 172 . 12 1 1 A 23 23 PRO CA C 23 66.150 63.687 2.463 1
1 173 . 12 1 1 A 23 23 PRO CB C 23 31.588 31.114 0.474 1
1 176 . 12 1 1 A 24 24 SER H H 24 8.115 8.572 -0.457 1
1 177 . 12 1 1 A 24 24 SER HA H 24 4.772 4.712 0.060 1
1 180 . 12 1 1 A 24 24 SER C C 24 173.836 174.000 -0.164 1
1 181 . 12 1 1 A 24 24 SER CA C 24 56.928 58.676 -1.748 1
1 182 . 12 1 1 A 24 24 SER CB C 24 64.789 65.875 -1.086 1
1 183 . 12 1 1 A 24 24 SER N N 24 106.127 114.229 -8.102 1
1 184 . 12 1 1 A 25 25 LYS H H 25 7.321 8.021 -0.700 1
1 185 . 12 1 1 A 25 25 LYS HA H 25 4.739 4.786 -0.047 1
1 194 . 12 1 1 A 25 25 LYS C C 25 172.915 174.181 -1.266 1
1 195 . 12 1 1 A 25 25 LYS CA C 25 55.863 54.833 1.030 1
1 196 . 12 1 1 A 25 25 LYS CB C 25 34.621 36.180 -1.559 1
1 200 . 12 1 1 A 25 25 LYS N N 25 118.386 116.661 1.725 1
1 201 . 12 1 1 A 26 26 GLN H H 26 8.566 8.655 -0.089 1
1 202 . 12 1 1 A 26 26 GLN HA H 26 5.708 5.461 0.247 1
1 209 . 12 1 1 A 26 26 GLN C C 26 174.179 174.359 -0.180 1
1 210 . 12 1 1 A 26 26 GLN CA C 26 53.888 54.298 -0.410 1
1 211 . 12 1 1 A 26 26 GLN CB C 26 32.884 32.504 0.380 1
1 213 . 12 1 1 A 26 26 GLN N N 26 117.444 119.439 -1.995 1
1 215 . 12 1 1 A 27 27 PHE H H 27 8.564 8.655 -0.091 1
1 216 . 12 1 1 A 27 27 PHE HA H 27 5.085 5.359 -0.274 1
1 224 . 12 1 1 A 27 27 PHE C C 27 173.234 172.381 0.853 1
1 225 . 12 1 1 A 27 27 PHE CA C 27 55.993 56.087 -0.094 1
1 226 . 12 1 1 A 27 27 PHE CB C 27 40.088 41.918 -1.830 1
1 230 . 12 1 1 A 27 27 PHE N N 27 117.565 120.974 -3.409 1
1 231 . 12 1 1 A 28 28 THR H H 28 8.801 8.729 0.072 1
1 232 . 12 1 1 A 28 28 THR HA H 28 5.419 5.280 0.139 1
1 237 . 12 1 1 A 28 28 THR C C 28 174.650 173.733 0.917 1
1 238 . 12 1 1 A 28 28 THR CA C 28 61.203 61.798 -0.595 1
1 239 . 12 1 1 A 28 28 THR CB C 28 70.508 70.825 -0.317 1
1 241 . 12 1 1 A 28 28 THR N N 28 115.093 115.953 -0.860 1
1 242 . 12 1 1 A 29 29 VAL H H 29 8.983 9.214 -0.231 1
1 243 . 12 1 1 A 29 29 VAL HA H 29 4.549 4.932 -0.383 1
1 251 . 12 1 1 A 29 29 VAL C C 29 173.686 174.572 -0.886 1
1 252 . 12 1 1 A 29 29 VAL CA C 29 60.118 60.394 -0.276 1
1 253 . 12 1 1 A 29 29 VAL CB C 29 35.498 35.517 -0.019 1
1 256 . 12 1 1 A 29 29 VAL N N 29 121.743 125.091 -3.348 1
1 257 . 12 1 1 A 30 30 GLU H H 30 8.460 8.738 -0.278 1
1 258 . 12 1 1 A 30 30 GLU HA H 30 4.894 4.807 0.087 1
1 263 . 12 1 1 A 30 30 GLU C C 30 175.807 176.096 -0.289 1
1 264 . 12 1 1 A 30 30 GLU CA C 30 54.922 55.869 -0.947 1
1 265 . 12 1 1 A 30 30 GLU CB C 30 31.123 30.457 0.666 1
1 267 . 12 1 1 A 30 30 GLU N N 30 125.512 126.910 -1.398 1
1 268 . 12 1 1 A 31 31 VAL H H 31 8.917 8.518 0.399 1
1 269 . 12 1 1 A 31 31 VAL HA H 31 4.634 4.858 -0.224 1
1 277 . 12 1 1 A 31 31 VAL C C 31 174.136 174.076 0.060 1
1 278 . 12 1 1 A 31 31 VAL CA C 31 58.299 58.667 -0.368 1
1 279 . 12 1 1 A 31 31 VAL CB C 31 35.067 35.551 -0.484 1
1 282 . 12 1 1 A 31 31 VAL N N 31 118.900 117.664 1.236 1
1 283 . 12 1 1 A 32 32 ASP H H 32 9.032 8.679 0.353 1
1 284 . 12 1 1 A 32 32 ASP HA H 32 4.943 4.610 0.333 1
1 287 . 12 1 1 A 32 32 ASP C C 32 177.992 177.152 0.840 1
1 288 . 12 1 1 A 32 32 ASP CA C 32 53.428 54.003 -0.575 1
1 289 . 12 1 1 A 32 32 ASP CB C 32 42.939 42.144 0.795 1
1 290 . 12 1 1 A 32 32 ASP N N 32 121.708 124.173 -2.465 1
1 291 . 12 1 1 A 33 33 ARG H H 33 8.847 8.356 0.491 1
1 292 . 12 1 1 A 33 33 ARG HA H 33 3.952 4.025 -0.073 1
1 299 . 12 1 1 A 33 33 ARG C C 33 176.257 177.243 -0.986 1
1 300 . 12 1 1 A 33 33 ARG CA C 33 59.113 58.279 0.834 1
1 301 . 12 1 1 A 33 33 ARG CB C 33 30.011 30.162 -0.151 1
1 304 . 12 1 1 A 33 33 ARG N N 33 121.873 125.817 -3.944 1
1 305 . 12 1 1 A 34 34 THR H H 34 8.058 8.223 -0.165 1
1 306 . 12 1 1 A 34 34 THR HA H 34 4.350 4.507 -0.157 1
1 311 . 12 1 1 A 34 34 THR C C 34 174.371 174.467 -0.096 1
1 312 . 12 1 1 A 34 34 THR CA C 34 60.432 61.858 -1.426 1
1 313 . 12 1 1 A 34 34 THR CB C 34 68.739 69.266 -0.527 1
1 315 . 12 1 1 A 34 34 THR N N 34 104.720 106.053 -1.333 1
1 316 . 12 1 1 A 35 35 GLU H H 35 7.473 7.446 0.027 1
1 317 . 12 1 1 A 35 35 GLU HA H 35 4.239 4.181 0.058 1
1 322 . 12 1 1 A 35 35 GLU C C 35 176.021 175.843 0.178 1
1 323 . 12 1 1 A 35 35 GLU CA C 35 56.921 57.090 -0.169 1
1 324 . 12 1 1 A 35 35 GLU CB C 35 31.086 30.085 1.001 1
1 326 . 12 1 1 A 35 35 GLU N N 35 123.129 123.901 -0.772 1
1 327 . 12 1 1 A 36 36 THR H H 36 8.432 8.607 -0.175 1
1 328 . 12 1 1 A 36 36 THR HA H 36 4.987 5.038 -0.051 1
1 333 . 12 1 1 A 36 36 THR C C 36 175.939 176.218 -0.279 1
1 334 . 12 1 1 A 36 36 THR CA C 36 60.249 60.889 -0.640 1
1 335 . 12 1 1 A 36 36 THR CB C 36 71.783 70.824 0.959 1
1 337 . 12 1 1 A 36 36 THR N N 36 112.476 116.682 -4.206 1
1 338 . 12 1 1 A 37 37 VAL H H 37 8.087 8.956 -0.869 1
1 339 . 12 1 1 A 37 37 VAL HA H 37 3.411 3.638 -0.227 1
1 347 . 12 1 1 A 37 37 VAL C C 37 178.249 177.673 0.576 1
1 348 . 12 1 1 A 37 37 VAL CA C 37 67.397 66.605 0.792 1
1 349 . 12 1 1 A 37 37 VAL CB C 37 31.567 31.333 0.234 1
1 352 . 12 1 1 A 37 37 VAL N N 37 121.215 123.079 -1.864 1
1 353 . 12 1 1 A 38 38 SER H H 38 8.863 8.135 0.728 1
1 354 . 12 1 1 A 38 38 SER HA H 38 4.760 4.070 0.690 1
1 357 . 12 1 1 A 38 38 SER C C 38 176.814 176.874 -0.060 1
1 358 . 12 1 1 A 38 38 SER CA C 38 57.746 61.633 -3.887 1
1 359 . 12 1 1 A 38 38 SER CB C 38 62.627 62.930 -0.303 1
1 360 . 12 1 1 A 38 38 SER N N 38 112.752 116.316 -3.564 1
1 361 . 12 1 1 A 39 39 SER H H 39 7.999 7.620 0.379 1
1 362 . 12 1 1 A 39 39 SER HA H 39 4.318 4.326 -0.008 1
1 365 . 12 1 1 A 39 39 SER C C 39 177.692 176.605 1.087 1
1 366 . 12 1 1 A 39 39 SER CA C 39 61.338 61.322 0.016 1
1 367 . 12 1 1 A 39 39 SER CB C 39 62.349 63.214 -0.865 1
1 368 . 12 1 1 A 39 39 SER N N 39 117.918 116.781 1.137 1
1 369 . 12 1 1 A 40 40 LEU H H 40 8.227 8.203 0.024 1
1 370 . 12 1 1 A 40 40 LEU HA H 40 4.104 4.037 0.067 1
1 380 . 12 1 1 A 40 40 LEU C C 40 178.420 178.659 -0.239 1
1 381 . 12 1 1 A 40 40 LEU CA C 40 58.235 58.322 -0.087 1
1 382 . 12 1 1 A 40 40 LEU CB C 40 40.797 41.929 -1.132 1
1 386 . 12 1 1 A 40 40 LEU N N 40 123.592 123.304 0.288 1
1 387 . 12 1 1 A 41 41 LYS H H 41 8.470 8.058 0.412 1
1 388 . 12 1 1 A 41 41 LYS HA H 41 3.824 4.024 -0.200 1
1 397 . 12 1 1 A 41 41 LYS C C 41 178.476 178.823 -0.347 1
1 398 . 12 1 1 A 41 41 LYS CA C 41 61.313 60.030 1.283 1
1 399 . 12 1 1 A 41 41 LYS CB C 41 32.414 32.051 0.363 1
1 403 . 12 1 1 A 41 41 LYS N N 41 118.401 118.477 -0.076 1
1 404 . 12 1 1 A 42 42 ASP H H 42 7.956 8.243 -0.287 1
1 405 . 12 1 1 A 42 42 ASP HA H 42 4.447 4.351 0.096 1
1 408 . 12 1 1 A 42 42 ASP C C 42 178.806 178.969 -0.163 1
1 409 . 12 1 1 A 42 42 ASP CA C 42 57.802 57.709 0.093 1
1 410 . 12 1 1 A 42 42 ASP CB C 42 40.585 41.851 -1.266 1
1 411 . 12 1 1 A 42 42 ASP N N 42 119.295 119.751 -0.456 1
1 412 . 12 1 1 A 43 43 LYS H H 43 8.024 8.087 -0.063 1
1 413 . 12 1 1 A 43 43 LYS HA H 43 4.039 4.092 -0.053 1
1 422 . 12 1 1 A 43 43 LYS C C 43 179.941 179.527 0.414 1
1 423 . 12 1 1 A 43 43 LYS CA C 43 60.014 59.784 0.230 1
1 424 . 12 1 1 A 43 43 LYS CB C 43 32.865 32.565 0.300 1
1 428 . 12 1 1 A 43 43 LYS N N 43 119.784 117.688 2.096 1
1 429 . 12 1 1 A 44 44 ILE H H 44 8.480 7.968 0.512 1
1 430 . 12 1 1 A 44 44 ILE HA H 44 3.702 3.870 -0.168 1
1 440 . 12 1 1 A 44 44 ILE C C 44 177.328 178.494 -1.166 1
1 441 . 12 1 1 A 44 44 ILE CA C 44 65.725 65.096 0.629 1
1 442 . 12 1 1 A 44 44 ILE CB C 44 38.110 37.605 0.505 1
1 446 . 12 1 1 A 44 44 ILE N N 44 119.363 120.345 -0.982 1
1 447 . 12 1 1 A 45 45 HIS H H 45 8.635 8.423 0.212 1
1 448 . 12 1 1 A 45 45 HIS HA H 45 4.471 4.655 -0.184 1
1 453 . 12 1 1 A 45 45 HIS C C 45 176.407 177.221 -0.814 1
1 454 . 12 1 1 A 45 45 HIS CA C 45 58.451 59.818 -1.367 1
1 455 . 12 1 1 A 45 45 HIS CB C 45 28.055 29.702 -1.647 1
1 458 . 12 1 1 A 45 45 HIS N N 45 118.889 119.775 -0.886 1
1 461 . 12 1 1 A 46 46 ILE H H 46 7.868 7.796 0.072 1
1 462 . 12 1 1 A 46 46 ILE HA H 46 3.571 3.567 0.004 1
1 472 . 12 1 1 A 46 46 ILE C C 46 177.371 178.689 -1.318 1
1 473 . 12 1 1 A 46 46 ILE CA C 46 63.925 64.377 -0.452 1
1 474 . 12 1 1 A 46 46 ILE CB C 46 37.704 36.925 0.779 1
1 478 . 12 1 1 A 46 46 ILE N N 46 118.414 119.259 -0.845 1
1 479 . 12 1 1 A 47 47 VAL H H 47 7.223 7.149 0.074 1
1 480 . 12 1 1 A 47 47 VAL HA H 47 3.684 3.741 -0.057 1
1 488 . 12 1 1 A 47 47 VAL C C 47 176.706 175.762 0.944 1
1 489 . 12 1 1 A 47 47 VAL CA C 47 64.807 64.828 -0.021 1
1 490 . 12 1 1 A 47 47 VAL CB C 47 32.209 32.522 -0.313 1
1 493 . 12 1 1 A 47 47 VAL N N 47 116.982 118.894 -1.912 1
1 494 . 12 1 1 A 48 48 GLU H H 48 8.090 8.598 -0.508 1
1 495 . 12 1 1 A 48 48 GLU HA H 48 4.271 4.555 -0.284 1
1 500 . 12 1 1 A 48 48 GLU C C 48 176.042 176.612 -0.570 1
1 501 . 12 1 1 A 48 48 GLU CA C 48 55.062 54.846 0.216 1
1 502 . 12 1 1 A 48 48 GLU CB C 48 31.544 32.333 -0.789 1
1 504 . 12 1 1 A 48 48 GLU N N 48 118.849 119.944 -1.095 1
1 505 . 12 1 1 A 49 49 ASN H H 49 8.113 8.892 -0.779 1
1 506 . 12 1 1 A 49 49 ASN HA H 49 4.137 4.257 -0.120 1
1 511 . 12 1 1 A 49 49 ASN C C 49 174.993 175.172 -0.179 1
1 512 . 12 1 1 A 49 49 ASN CA C 49 54.287 53.601 0.686 1
1 513 . 12 1 1 A 49 49 ASN CB C 49 37.647 37.387 0.260 1
1 514 . 12 1 1 A 49 49 ASN N N 49 118.695 122.783 -4.088 1
1 516 . 12 1 1 A 50 50 THR H H 50 7.780 7.633 0.147 1
1 517 . 12 1 1 A 50 50 THR HA H 50 4.483 4.454 0.029 1
1 522 . 12 1 1 A 50 50 THR C C 50 173.107 173.018 0.089 1
1 523 . 12 1 1 A 50 50 THR CA C 50 61.094 60.675 0.419 1
1 524 . 12 1 1 A 50 50 THR CB C 50 70.926 69.358 1.568 1
1 526 . 12 1 1 A 50 50 THR N N 50 118.434 117.540 0.894 1
1 527 . 12 1 1 A 51 51 PRO HA H 51 4.485 4.569 -0.084 1
1 534 . 12 1 1 A 51 51 PRO C C 51 178.067 177.836 0.231 1
1 535 . 12 1 1 A 51 51 PRO CA C 51 63.075 63.245 -0.170 1
1 536 . 12 1 1 A 51 51 PRO CB C 51 31.996 32.578 -0.582 1
1 539 . 12 1 1 A 52 52 ILE H H 52 8.530 8.376 0.154 1
1 540 . 12 1 1 A 52 52 ILE HA H 52 3.764 3.866 -0.102 1
1 550 . 12 1 1 A 52 52 ILE C C 52 179.363 178.044 1.319 1
1 551 . 12 1 1 A 52 52 ILE CA C 52 64.855 63.855 1.000 1
1 552 . 12 1 1 A 52 52 ILE CB C 52 38.109 37.666 0.443 1
1 556 . 12 1 1 A 52 52 ILE N N 52 125.501 123.015 2.486 1
1 557 . 12 1 1 A 53 53 LYS H H 53 8.603 7.993 0.610 1
1 558 . 12 1 1 A 53 53 LYS HA H 53 4.180 4.217 -0.037 1
1 567 . 12 1 1 A 53 53 LYS C C 53 177.113 177.726 -0.613 1
1 568 . 12 1 1 A 53 53 LYS CA C 53 57.816 58.944 -1.128 1
1 569 . 12 1 1 A 53 53 LYS CB C 53 31.992 32.365 -0.373 1
1 573 . 12 1 1 A 53 53 LYS N N 53 117.464 120.019 -2.555 1
1 574 . 12 1 1 A 54 54 ARG H H 54 7.479 7.474 0.005 1
1 575 . 12 1 1 A 54 54 ARG HA H 54 4.361 4.407 -0.046 1
1 582 . 12 1 1 A 54 54 ARG C C 54 175.507 176.112 -0.605 1
1 583 . 12 1 1 A 54 54 ARG CA C 54 56.051 57.250 -1.199 1
1 584 . 12 1 1 A 54 54 ARG CB C 54 31.559 31.389 0.170 1
1 587 . 12 1 1 A 54 54 ARG N N 54 114.601 117.202 -2.601 1
1 588 . 12 1 1 A 55 55 MET H H 55 7.479 7.604 -0.125 1
1 589 . 12 1 1 A 55 55 MET HA H 55 4.435 4.715 -0.280 1
1 597 . 12 1 1 A 55 55 MET C C 55 175.276 175.032 0.244 1
1 598 . 12 1 1 A 55 55 MET CA C 55 57.365 54.309 3.056 1
1 599 . 12 1 1 A 55 55 MET CB C 55 35.142 33.878 1.264 1
1 602 . 12 1 1 A 55 55 MET N N 55 116.986 117.290 -0.304 1
1 603 . 12 1 1 A 56 56 GLN H H 56 8.958 9.233 -0.275 1
1 604 . 12 1 1 A 56 56 GLN HA H 56 4.502 5.039 -0.537 1
1 611 . 12 1 1 A 56 56 GLN C C 56 173.429 174.620 -1.191 1
1 612 . 12 1 1 A 56 56 GLN CA C 56 54.982 54.527 0.455 1
1 613 . 12 1 1 A 56 56 GLN CB C 56 32.420 31.233 1.187 1
1 615 . 12 1 1 A 56 56 GLN N N 56 124.094 125.040 -0.946 1
1 617 . 12 1 1 A 57 57 LEU H H 57 8.603 8.819 -0.216 1
1 618 . 12 1 1 A 57 57 LEU HA H 57 5.190 5.132 0.058 1
1 628 . 12 1 1 A 57 57 LEU C C 57 175.421 175.802 -0.381 1
1 629 . 12 1 1 A 57 57 LEU CA C 57 53.437 53.717 -0.280 1
1 630 . 12 1 1 A 57 57 LEU CB C 57 44.367 43.384 0.983 1
1 634 . 12 1 1 A 57 57 LEU N N 57 124.534 126.416 -1.882 1
1 635 . 12 1 1 A 58 58 TYR H H 58 9.319 9.613 -0.294 1
1 636 . 12 1 1 A 58 58 TYR HA H 58 5.145 5.290 -0.145 1
1 643 . 12 1 1 A 58 58 TYR C C 58 174.821 174.273 0.548 1
1 644 . 12 1 1 A 58 58 TYR CA C 58 56.503 56.355 0.148 1
1 645 . 12 1 1 A 58 58 TYR CB C 58 43.323 41.848 1.475 1
1 648 . 12 1 1 A 58 58 TYR N N 58 119.746 122.854 -3.108 1
1 649 . 12 1 1 A 59 59 TYR H H 59 8.993 9.338 -0.345 1
1 650 . 12 1 1 A 59 59 TYR HA H 59 5.173 4.981 0.192 1
1 657 . 12 1 1 A 59 59 TYR C C 59 174.980 175.273 -0.293 1
1 658 . 12 1 1 A 59 59 TYR CA C 59 55.625 57.317 -1.692 1
1 659 . 12 1 1 A 59 59 TYR CB C 59 41.981 41.349 0.632 1
1 662 . 12 1 1 A 59 59 TYR N N 59 120.286 125.517 -5.231 1
1 663 . 12 1 1 A 60 60 SER H H 60 9.320 8.649 0.671 1
1 664 . 12 1 1 A 60 60 SER HA H 60 3.668 3.876 -0.208 1
1 667 . 12 1 1 A 60 60 SER C C 60 174.893 174.411 0.482 1
1 668 . 12 1 1 A 60 60 SER CA C 60 57.815 60.610 -2.795 1
1 669 . 12 1 1 A 60 60 SER CB C 60 62.602 61.341 1.261 1
1 670 . 12 1 1 A 60 60 SER N N 60 125.263 119.967 5.296 1
1 671 . 12 1 1 A 61 61 GLY H H 61 8.649 8.365 0.284 1
1 672 . 12 1 1 A 61 61 GLY HA2 H 61 4.035 4.107 -0.072 1
1 673 . 12 1 1 A 61 61 GLY HA3 H 61 3.409 4.131 -0.722 1
1 674 . 12 1 1 A 61 61 GLY C C 61 173.346 173.406 -0.060 1
1 675 . 12 1 1 A 61 61 GLY CA C 61 44.726 45.561 -0.835 1
1 676 . 12 1 1 A 62 62 ILE H H 62 8.128 7.791 0.337 1
1 677 . 12 1 1 A 62 62 ILE HA H 62 4.304 4.459 -0.155 1
1 687 . 12 1 1 A 62 62 ILE C C 62 174.950 175.502 -0.552 1
1 688 . 12 1 1 A 62 62 ILE CA C 62 59.396 60.147 -0.751 1
1 689 . 12 1 1 A 62 62 ILE CB C 62 39.110 39.778 -0.668 1
1 693 . 12 1 1 A 62 62 ILE N N 62 123.077 120.769 2.308 1
1 694 . 12 1 1 A 63 63 GLU H H 63 8.697 8.667 0.030 1
1 695 . 12 1 1 A 63 63 GLU HA H 63 3.534 4.126 -0.592 1
1 700 . 12 1 1 A 63 63 GLU C C 63 177.156 175.510 1.646 1
1 701 . 12 1 1 A 63 63 GLU CA C 63 55.231 56.138 -0.907 1
1 702 . 12 1 1 A 63 63 GLU CB C 63 29.804 29.913 -0.109 1
1 704 . 12 1 1 A 63 63 GLU N N 63 127.682 127.203 0.479 1
1 705 . 12 1 1 A 64 64 LEU H H 64 8.791 8.783 0.008 1
1 706 . 12 1 1 A 64 64 LEU HA H 64 3.954 4.053 -0.099 1
1 716 . 12 1 1 A 64 64 LEU C C 64 176.428 176.538 -0.110 1
1 717 . 12 1 1 A 64 64 LEU CA C 64 52.211 53.837 -1.626 1
1 718 . 12 1 1 A 64 64 LEU CB C 64 37.239 39.598 -2.359 1
1 722 . 12 1 1 A 64 64 LEU N N 64 130.005 128.434 1.571 1
1 723 . 12 1 1 A 65 65 ALA H H 65 7.369 8.222 -0.853 1
1 724 . 12 1 1 A 65 65 ALA HA H 65 4.052 4.187 -0.135 1
1 728 . 12 1 1 A 65 65 ALA C C 65 176.322 177.426 -1.104 1
1 729 . 12 1 1 A 65 65 ALA CA C 65 53.207 54.399 -1.192 1
1 730 . 12 1 1 A 65 65 ALA CB C 65 20.170 18.976 1.194 1
1 731 . 12 1 1 A 65 65 ALA N N 65 124.744 125.661 -0.917 1
1 732 . 12 1 1 A 66 66 ASP H H 66 7.472 7.565 -0.093 1
1 733 . 12 1 1 A 66 66 ASP HA H 66 4.857 4.701 0.156 1
1 736 . 12 1 1 A 66 66 ASP C C 66 175.635 175.397 0.238 1
1 737 . 12 1 1 A 66 66 ASP CA C 66 52.192 53.449 -1.257 1
1 738 . 12 1 1 A 66 66 ASP CB C 66 41.603 40.000 1.603 1
1 739 . 12 1 1 A 66 66 ASP N N 66 117.457 118.188 -0.731 1
1 740 . 12 1 1 A 67 67 ASP H H 67 8.541 8.680 -0.139 1
1 741 . 12 1 1 A 67 67 ASP HA H 67 4.209 4.381 -0.172 1
1 744 . 12 1 1 A 67 67 ASP C C 67 176.292 177.252 -0.960 1
1 745 . 12 1 1 A 67 67 ASP CA C 67 56.925 56.563 0.362 1
1 746 . 12 1 1 A 67 67 ASP CB C 67 40.835 40.702 0.133 1
1 747 . 12 1 1 A 67 67 ASP N N 67 124.544 125.173 -0.629 1
1 748 . 12 1 1 A 68 68 TYR H H 68 7.701 7.463 0.238 1
1 749 . 12 1 1 A 68 68 TYR HA H 68 4.589 4.509 0.080 1
1 756 . 12 1 1 A 68 68 TYR C C 68 175.742 176.078 -0.336 1
1 757 . 12 1 1 A 68 68 TYR CA C 68 56.622 58.132 -1.510 1
1 758 . 12 1 1 A 68 68 TYR CB C 68 37.607 38.660 -1.053 1
1 761 . 12 1 1 A 68 68 TYR N N 68 112.752 117.032 -4.280 1
1 762 . 12 1 1 A 69 69 ARG H H 69 7.182 7.579 -0.397 1
1 763 . 12 1 1 A 69 69 ARG HA H 69 4.245 4.623 -0.378 1
1 771 . 12 1 1 A 69 69 ARG C C 69 175.443 175.612 -0.169 1
1 772 . 12 1 1 A 69 69 ARG CA C 69 56.056 54.924 1.132 1
1 773 . 12 1 1 A 69 69 ARG CB C 69 31.536 31.393 0.143 1
1 776 . 12 1 1 A 69 69 ARG N N 69 122.155 122.103 0.052 1
1 778 . 12 1 1 A 70 70 ASN H H 70 8.749 9.239 -0.490 1
1 779 . 12 1 1 A 70 70 ASN HA H 70 5.068 5.208 -0.140 1
1 784 . 12 1 1 A 70 70 ASN C C 70 177.349 176.833 0.516 1
1 785 . 12 1 1 A 70 70 ASN CA C 70 52.528 52.337 0.191 1
1 786 . 12 1 1 A 70 70 ASN CB C 70 39.856 39.632 0.224 1
1 787 . 12 1 1 A 70 70 ASN N N 70 120.300 119.525 0.775 1
1 789 . 12 1 1 A 71 71 LEU H H 71 8.603 8.966 -0.363 1
1 790 . 12 1 1 A 71 71 LEU HA H 71 3.943 4.127 -0.184 1
1 800 . 12 1 1 A 71 71 LEU C C 71 179.470 178.794 0.676 1
1 801 . 12 1 1 A 71 71 LEU CA C 71 58.074 57.963 0.111 1
1 802 . 12 1 1 A 71 71 LEU CB C 71 39.446 41.488 -2.042 1
1 806 . 12 1 1 A 71 71 LEU N N 71 118.872 124.010 -5.138 1
1 807 . 12 1 1 A 72 72 ASN H H 72 8.561 8.364 0.197 1
1 808 . 12 1 1 A 72 72 ASN HA H 72 4.394 4.385 0.009 1
1 813 . 12 1 1 A 72 72 ASN C C 72 178.592 177.187 1.405 1
1 814 . 12 1 1 A 72 72 ASN CA C 72 56.065 55.731 0.334 1
1 815 . 12 1 1 A 72 72 ASN CB C 72 37.663 37.313 0.350 1
1 816 . 12 1 1 A 72 72 ASN N N 72 115.744 116.353 -0.609 1
1 818 . 12 1 1 A 73 73 GLU H H 73 7.979 7.570 0.409 1
1 819 . 12 1 1 A 73 73 GLU HA H 73 4.041 3.997 0.044 1
1 824 . 12 1 1 A 73 73 GLU C C 73 177.778 177.863 -0.085 1
1 825 . 12 1 1 A 73 73 GLU CA C 73 58.680 58.870 -0.190 1
1 826 . 12 1 1 A 73 73 GLU CB C 73 29.114 29.314 -0.200 1
1 828 . 12 1 1 A 73 73 GLU N N 73 121.014 119.605 1.409 1
1 829 . 12 1 1 A 74 74 TYR H H 74 7.500 7.306 0.194 1
1 830 . 12 1 1 A 74 74 TYR HA H 74 4.567 4.607 -0.040 1
1 837 . 12 1 1 A 74 74 TYR C C 74 175.592 175.955 -0.363 1
1 838 . 12 1 1 A 74 74 TYR CA C 74 58.790 58.116 0.674 1
1 839 . 12 1 1 A 74 74 TYR CB C 74 39.440 38.662 0.778 1
1 842 . 12 1 1 A 74 74 TYR N N 74 115.573 116.734 -1.161 1
1 843 . 12 1 1 A 75 75 GLY H H 75 7.702 8.066 -0.364 1
1 844 . 12 1 1 A 75 75 GLY HA2 H 75 4.274 4.012 0.262 1
1 845 . 12 1 1 A 75 75 GLY HA3 H 75 3.749 4.089 -0.340 1
1 846 . 12 1 1 A 75 75 GLY C C 75 174.007 174.429 -0.422 1
1 847 . 12 1 1 A 75 75 GLY CA C 75 45.133 45.750 -0.617 1
1 848 . 12 1 1 A 75 75 GLY N N 75 105.620 108.167 -2.547 1
1 849 . 12 1 1 A 76 76 ILE H H 76 6.628 7.628 -1.000 1
1 850 . 12 1 1 A 76 76 ILE HA H 76 3.170 3.722 -0.552 1
1 860 . 12 1 1 A 76 76 ILE C C 76 174.607 175.351 -0.744 1
1 861 . 12 1 1 A 76 76 ILE CA C 76 62.037 61.304 0.733 1
1 862 . 12 1 1 A 76 76 ILE CB C 76 36.805 37.470 -0.665 1
1 866 . 12 1 1 A 76 76 ILE N N 76 120.041 122.630 -2.589 1
1 867 . 12 1 1 A 77 77 THR H H 77 8.437 8.911 -0.474 1
1 868 . 12 1 1 A 77 77 THR HA H 77 4.420 4.714 -0.294 1
1 873 . 12 1 1 A 77 77 THR C C 77 172.893 172.267 0.626 1
1 874 . 12 1 1 A 77 77 THR CA C 77 58.687 59.480 -0.793 1
1 875 . 12 1 1 A 77 77 THR CB C 77 70.917 70.922 -0.005 1
1 877 . 12 1 1 A 77 77 THR N N 77 121.014 120.291 0.723 1
1 878 . 12 1 1 A 78 78 GLU H H 78 8.235 8.563 -0.328 1
1 879 . 12 1 1 A 78 78 GLU HA H 78 4.088 4.046 0.042 1
1 884 . 12 1 1 A 78 78 GLU C C 78 177.242 177.396 -0.154 1
1 885 . 12 1 1 A 78 78 GLU CA C 78 58.254 57.937 0.317 1
1 886 . 12 1 1 A 78 78 GLU CB C 78 29.336 29.855 -0.519 1
1 888 . 12 1 1 A 78 78 GLU N N 78 121.643 123.706 -2.063 1
1 889 . 12 1 1 A 79 79 PHE H H 79 9.152 9.458 -0.306 1
1 890 . 12 1 1 A 79 79 PHE HA H 79 4.363 4.278 0.085 1
1 895 . 12 1 1 A 79 79 PHE C C 79 176.385 174.966 1.419 1
1 896 . 12 1 1 A 79 79 PHE CA C 79 59.552 59.173 0.379 1
1 897 . 12 1 1 A 79 79 PHE CB C 79 36.282 38.433 -2.151 1
1 899 . 12 1 1 A 79 79 PHE N N 79 118.909 125.876 -6.967 1
1 900 . 12 1 1 A 80 80 SER H H 80 8.341 7.550 0.791 1
1 901 . 12 1 1 A 80 80 SER HA H 80 4.576 4.537 0.039 1
1 904 . 12 1 1 A 80 80 SER C C 80 171.629 173.976 -2.347 1
1 905 . 12 1 1 A 80 80 SER CA C 80 61.398 59.843 1.555 1
1 906 . 12 1 1 A 80 80 SER CB C 80 64.796 64.010 0.786 1
1 907 . 12 1 1 A 80 80 SER N N 80 118.396 118.393 0.003 1
1 908 . 12 1 1 A 81 81 GLU H H 81 8.692 8.831 -0.139 1
1 909 . 12 1 1 A 81 81 GLU HA H 81 5.115 4.650 0.465 1
1 914 . 12 1 1 A 81 81 GLU C C 81 174.993 175.289 -0.296 1
1 915 . 12 1 1 A 81 81 GLU CA C 81 54.749 56.038 -1.289 1
1 916 . 12 1 1 A 81 81 GLU CB C 81 31.666 30.677 0.989 1
1 918 . 12 1 1 A 81 81 GLU N N 81 122.155 127.082 -4.927 1
1 919 . 12 1 1 A 82 82 ILE H H 82 9.335 9.749 -0.414 1
1 920 . 12 1 1 A 82 82 ILE HA H 82 4.796 4.741 0.055 1
1 930 . 12 1 1 A 82 82 ILE C C 82 174.350 174.714 -0.364 1
1 931 . 12 1 1 A 82 82 ILE CA C 82 58.543 59.833 -1.290 1
1 932 . 12 1 1 A 82 82 ILE CB C 82 39.050 39.201 -0.151 1
1 936 . 12 1 1 A 82 82 ILE N N 82 127.389 128.833 -1.444 1
1 937 . 12 1 1 A 83 83 VAL H H 83 9.136 9.466 -0.330 1
1 938 . 12 1 1 A 83 83 VAL HA H 83 4.359 4.359 0.000 1
1 946 . 12 1 1 A 83 83 VAL C C 83 174.971 175.164 -0.193 1
1 947 . 12 1 1 A 83 83 VAL CA C 83 61.756 61.910 -0.154 1
1 948 . 12 1 1 A 83 83 VAL CB C 83 33.537 32.333 1.204 1
1 951 . 12 1 1 A 83 83 VAL N N 83 128.322 128.621 -0.299 1
1 952 . 12 1 1 A 84 84 VAL H H 84 8.019 9.258 -1.239 1
1 953 . 12 1 1 A 84 84 VAL HA H 84 4.524 4.598 -0.074 1
1 961 . 12 1 1 A 84 84 VAL C C 84 175.090 174.988 0.102 1
1 962 . 12 1 1 A 84 84 VAL CA C 84 61.268 60.956 0.312 1
1 963 . 12 1 1 A 84 84 VAL CB C 84 32.543 31.343 1.200 1
1 966 . 12 1 1 A 84 84 VAL N N 84 125.746 128.229 -2.483 1
1 967 . 12 1 1 A 85 85 PHE H H 85 9.165 9.067 0.098 1
1 968 . 12 1 1 A 85 85 PHE HA H 85 4.795 5.126 -0.331 1
1 976 . 12 1 1 A 85 85 PHE C C 85 174.414 175.037 -0.623 1
1 977 . 12 1 1 A 85 85 PHE CA C 85 55.636 57.029 -1.393 1
1 978 . 12 1 1 A 85 85 PHE CB C 85 41.618 40.764 0.854 1
1 982 . 12 1 1 A 85 85 PHE N N 85 126.921 126.678 0.243 1
1 983 . 12 1 1 A 86 86 LEU H H 86 8.314 8.898 -0.584 1
1 984 . 12 1 1 A 86 86 LEU HA H 86 5.103 4.556 0.547 1
1 994 . 12 1 1 A 86 86 LEU C C 86 177.221 176.609 0.612 1
1 995 . 12 1 1 A 86 86 LEU CA C 86 52.667 54.403 -1.736 1
1 996 . 12 1 1 A 86 86 LEU CB C 86 42.493 41.456 1.037 1
1 1000 . 12 1 1 A 86 86 LEU N N 86 122.166 125.684 -3.518 1
1 1001 . 12 1 1 A 87 87 LYS H H 87 9.006 9.280 -0.274 1
1 1002 . 12 1 1 A 87 87 LYS HA H 87 4.276 4.334 -0.058 1
1 1011 . 12 1 1 A 87 87 LYS C C 87 176.685 176.456 0.229 1
1 1012 . 12 1 1 A 87 87 LYS CA C 87 56.069 58.461 -2.392 1
1 1013 . 12 1 1 A 87 87 LYS CB C 87 33.751 33.015 0.736 1
1 1017 . 12 1 1 A 87 87 LYS N N 87 124.552 125.728 -1.176 1
1 1018 . 12 1 1 A 88 88 SER H H 88 8.640 8.085 0.555 1
1 1019 . 12 1 1 A 88 88 SER HA H 88 4.461 4.884 -0.423 1
1 1022 . 12 1 1 A 88 88 SER C C 88 174.671 174.479 0.192 1
1 1023 . 12 1 1 A 88 88 SER CA C 88 58.244 58.293 -0.049 1
1 1024 . 12 1 1 A 88 88 SER CB C 88 63.518 63.327 0.191 1
1 1025 . 12 1 1 A 88 88 SER N N 88 118.741 115.464 3.277 1
1 1026 . 12 1 1 A 89 89 ILE H H 89 8.401 8.505 -0.104 1
1 1027 . 12 1 1 A 89 89 ILE HA H 89 4.173 4.271 -0.098 1
1 1037 . 12 1 1 A 89 89 ILE C C 89 175.828 175.975 -0.147 1
1 1038 . 12 1 1 A 89 89 ILE CA C 89 61.240 61.981 -0.741 1
1 1039 . 12 1 1 A 89 89 ILE CB C 89 38.930 38.669 0.261 1
1 1043 . 12 1 1 A 89 89 ILE N N 89 122.196 122.660 -0.464 1
1 1044 . 12 1 1 A 90 90 ASN H H 90 8.479 7.742 0.737 1
1 1045 . 12 1 1 A 90 90 ASN HA H 90 4.709 4.682 0.027 1
1 1050 . 12 1 1 A 90 90 ASN C C 90 174.971 174.710 0.261 1
1 1051 . 12 1 1 A 90 90 ASN CA C 90 52.863 52.726 0.137 1
1 1052 . 12 1 1 A 90 90 ASN CB C 90 38.726 39.108 -0.382 1
1 1053 . 12 1 1 A 90 90 ASN N N 90 122.645 122.006 0.639 1
1 1055 . 12 1 1 A 91 91 ARG H H 91 8.340 8.523 -0.183 1
1 1056 . 12 1 1 A 91 91 ARG HA H 91 4.321 4.568 -0.247 1
1 1063 . 12 1 1 A 91 91 ARG C C 91 175.850 176.443 -0.593 1
1 1064 . 12 1 1 A 91 91 ARG CA C 91 55.708 55.955 -0.247 1
1 1065 . 12 1 1 A 91 91 ARG CB C 91 30.704 31.361 -0.657 1
1 1068 . 12 1 1 A 91 91 ARG N N 91 122.190 125.196 -3.006 1
1 1069 . 12 1 1 A 92 92 ALA H H 92 8.310 8.525 -0.215 1
1 1070 . 12 1 1 A 92 92 ALA HA H 92 4.292 4.378 -0.086 1
1 1074 . 12 1 1 A 92 92 ALA C C 92 177.456 176.496 0.960 1
1 1075 . 12 1 1 A 92 92 ALA CA C 92 52.524 51.737 0.787 1
1 1076 . 12 1 1 A 92 92 ALA CB C 92 19.254 20.185 -0.931 1
1 1077 . 12 1 1 A 92 92 ALA N N 92 125.492 122.739 2.753 1
1 1078 . 12 1 1 A 93 93 LYS H H 93 8.189 8.391 -0.202 1
1 1079 . 12 1 1 A 93 93 LYS HA H 93 4.318 4.959 -0.641 1
1 1088 . 12 1 1 A 93 93 LYS C C 93 175.357 174.377 0.980 1
1 1089 . 12 1 1 A 93 93 LYS CA C 93 56.059 55.128 0.931 1
1 1090 . 12 1 1 A 93 93 LYS CB C 93 33.101 34.129 -1.028 1
1 1094 . 12 1 1 A 93 93 LYS N N 93 120.307 119.932 0.375 1
1 1 . 13 1 1 A 11 11 ALA HA H 11 4.252 4.446 -0.194 1
1 5 . 13 1 1 A 11 11 ALA CA C 11 52.471 51.037 1.434 1
1 6 . 13 1 1 A 11 11 ALA CB C 11 19.020 21.899 -2.879 1
1 7 . 13 1 1 A 12 12 ALA H H 12 8.179 8.384 -0.205 1
1 8 . 13 1 1 A 12 12 ALA HA H 12 4.291 4.326 -0.035 1
1 12 . 13 1 1 A 12 12 ALA C C 12 177.662 177.012 0.650 1
1 13 . 13 1 1 A 12 12 ALA CA C 12 52.444 51.773 0.671 1
1 14 . 13 1 1 A 12 12 ALA CB C 12 18.943 17.331 1.612 1
1 15 . 13 1 1 A 12 12 ALA N N 12 123.114 120.732 2.382 1
1 16 . 13 1 1 A 13 13 VAL H H 13 8.006 8.060 -0.054 1
1 17 . 13 1 1 A 13 13 VAL HA H 13 4.100 4.169 -0.069 1
1 25 . 13 1 1 A 13 13 VAL C C 13 175.990 175.560 0.430 1
1 26 . 13 1 1 A 13 13 VAL CA C 13 62.182 61.803 0.379 1
1 27 . 13 1 1 A 13 13 VAL CB C 13 32.442 32.757 -0.315 1
1 29 . 13 1 1 A 13 13 VAL N N 13 119.213 117.705 1.508 1
1 30 . 13 1 1 A 14 14 ARG H H 14 8.329 8.668 -0.339 1
1 31 . 13 1 1 A 14 14 ARG HA H 14 4.344 4.817 -0.473 1
1 38 . 13 1 1 A 14 14 ARG C C 14 175.844 175.135 0.709 1
1 39 . 13 1 1 A 14 14 ARG CA C 14 56.071 54.224 1.847 1
1 40 . 13 1 1 A 14 14 ARG CB C 14 31.099 32.492 -1.393 1
1 43 . 13 1 1 A 14 14 ARG N N 14 125.039 123.693 1.346 1
1 44 . 13 1 1 A 15 15 LYS H H 15 8.147 8.763 -0.616 1
1 45 . 13 1 1 A 15 15 LYS HA H 15 4.552 4.587 -0.035 1
1 54 . 13 1 1 A 15 15 LYS C C 15 176.186 176.379 -0.193 1
1 55 . 13 1 1 A 15 15 LYS CA C 15 55.632 56.170 -0.538 1
1 56 . 13 1 1 A 15 15 LYS CB C 15 33.543 33.359 0.184 1
1 60 . 13 1 1 A 15 15 LYS N N 15 121.711 122.573 -0.862 1
1 61 . 13 1 1 A 16 16 ILE H H 16 8.764 9.718 -0.954 1
1 62 . 13 1 1 A 16 16 ILE HA H 16 4.508 4.953 -0.445 1
1 72 . 13 1 1 A 16 16 ILE C C 16 174.333 174.039 0.294 1
1 73 . 13 1 1 A 16 16 ILE CA C 16 59.343 59.145 0.198 1
1 74 . 13 1 1 A 16 16 ILE CB C 16 41.575 41.282 0.293 1
1 78 . 13 1 1 A 16 16 ILE N N 16 116.484 118.347 -1.863 1
1 79 . 13 1 1 A 17 17 HIS H H 17 8.659 8.866 -0.207 1
1 80 . 13 1 1 A 17 17 HIS HA H 17 5.130 5.282 -0.152 1
1 85 . 13 1 1 A 17 17 HIS C C 17 174.788 175.223 -0.435 1
1 86 . 13 1 1 A 17 17 HIS CA C 17 55.562 54.794 0.768 1
1 87 . 13 1 1 A 17 17 HIS CB C 17 30.047 30.995 -0.948 1
1 90 . 13 1 1 A 17 17 HIS N N 17 119.826 121.434 -1.608 1
1 93 . 13 1 1 A 18 18 VAL H H 18 8.788 8.958 -0.170 1
1 94 . 13 1 1 A 18 18 VAL HA H 18 4.681 4.789 -0.108 1
1 102 . 13 1 1 A 18 18 VAL C C 18 174.631 174.821 -0.190 1
1 103 . 13 1 1 A 18 18 VAL CA C 18 59.568 60.643 -1.075 1
1 104 . 13 1 1 A 18 18 VAL CB C 18 34.191 33.468 0.723 1
1 107 . 13 1 1 A 18 18 VAL N N 18 117.203 119.482 -2.279 1
1 108 . 13 1 1 A 19 19 THR H H 19 8.746 9.044 -0.298 1
1 109 . 13 1 1 A 19 19 THR HA H 19 4.603 4.721 -0.118 1
1 114 . 13 1 1 A 19 19 THR C C 19 172.422 174.016 -1.594 1
1 115 . 13 1 1 A 19 19 THR CA C 19 62.159 62.059 0.100 1
1 116 . 13 1 1 A 19 19 THR CB C 19 69.640 69.180 0.460 1
1 118 . 13 1 1 A 19 19 THR N N 19 121.216 121.511 -0.295 1
1 119 . 13 1 1 A 20 20 VAL H H 20 9.268 9.003 0.265 1
1 120 . 13 1 1 A 20 20 VAL HA H 20 4.426 4.324 0.102 1
1 128 . 13 1 1 A 20 20 VAL C C 20 174.013 174.821 -0.808 1
1 129 . 13 1 1 A 20 20 VAL CA C 20 61.312 61.697 -0.385 1
1 130 . 13 1 1 A 20 20 VAL CB C 20 31.567 31.927 -0.360 1
1 133 . 13 1 1 A 20 20 VAL N N 20 128.437 127.677 0.760 1
1 134 . 13 1 1 A 21 21 LYS H H 21 9.147 9.208 -0.061 1
1 135 . 13 1 1 A 21 21 LYS HA H 21 4.759 4.708 0.051 1
1 144 . 13 1 1 A 21 21 LYS C C 21 175.935 175.132 0.803 1
1 145 . 13 1 1 A 21 21 LYS CA C 21 55.384 55.262 0.122 1
1 146 . 13 1 1 A 21 21 LYS CB C 21 34.197 32.383 1.814 1
1 150 . 13 1 1 A 21 21 LYS N N 21 126.951 128.032 -1.081 1
1 151 . 13 1 1 A 22 22 PHE H H 22 8.938 8.367 0.571 1
1 152 . 13 1 1 A 22 22 PHE HA H 22 4.846 4.754 0.092 1
1 158 . 13 1 1 A 22 22 PHE C C 22 174.843 175.708 -0.865 1
1 159 . 13 1 1 A 22 22 PHE CA C 22 56.918 56.143 0.775 1
1 160 . 13 1 1 A 22 22 PHE CB C 22 39.021 40.659 -1.638 1
1 163 . 13 1 1 A 22 22 PHE N N 22 127.843 124.924 2.919 1
1 164 . 13 1 1 A 23 23 PRO HA H 23 4.192 4.280 -0.088 1
1 171 . 13 1 1 A 23 23 PRO C C 23 177.813 177.981 -0.168 1
1 172 . 13 1 1 A 23 23 PRO CA C 23 66.150 65.089 1.061 1
1 173 . 13 1 1 A 23 23 PRO CB C 23 31.588 31.959 -0.371 1
1 176 . 13 1 1 A 24 24 SER H H 24 8.115 8.489 -0.374 1
1 177 . 13 1 1 A 24 24 SER HA H 24 4.772 4.385 0.387 1
1 180 . 13 1 1 A 24 24 SER C C 24 173.836 174.170 -0.334 1
1 181 . 13 1 1 A 24 24 SER CA C 24 56.928 61.177 -4.249 1
1 182 . 13 1 1 A 24 24 SER CB C 24 64.789 63.471 1.318 1
1 183 . 13 1 1 A 24 24 SER N N 24 106.127 112.264 -6.137 1
1 184 . 13 1 1 A 25 25 LYS H H 25 7.321 7.774 -0.453 1
1 185 . 13 1 1 A 25 25 LYS HA H 25 4.739 4.763 -0.024 1
1 194 . 13 1 1 A 25 25 LYS C C 25 172.915 173.968 -1.053 1
1 195 . 13 1 1 A 25 25 LYS CA C 25 55.863 54.813 1.050 1
1 196 . 13 1 1 A 25 25 LYS CB C 25 34.621 35.467 -0.846 1
1 200 . 13 1 1 A 25 25 LYS N N 25 118.386 115.163 3.223 1
1 201 . 13 1 1 A 26 26 GLN H H 26 8.566 8.811 -0.245 1
1 202 . 13 1 1 A 26 26 GLN HA H 26 5.708 5.221 0.487 1
1 209 . 13 1 1 A 26 26 GLN C C 26 174.179 174.866 -0.687 1
1 210 . 13 1 1 A 26 26 GLN CA C 26 53.888 54.383 -0.495 1
1 211 . 13 1 1 A 26 26 GLN CB C 26 32.884 31.804 1.080 1
1 213 . 13 1 1 A 26 26 GLN N N 26 117.444 120.657 -3.213 1
1 215 . 13 1 1 A 27 27 PHE H H 27 8.564 8.295 0.269 1
1 216 . 13 1 1 A 27 27 PHE HA H 27 5.085 5.364 -0.279 1
1 224 . 13 1 1 A 27 27 PHE C C 27 173.234 172.360 0.874 1
1 225 . 13 1 1 A 27 27 PHE CA C 27 55.993 56.062 -0.069 1
1 226 . 13 1 1 A 27 27 PHE CB C 27 40.088 42.022 -1.934 1
1 230 . 13 1 1 A 27 27 PHE N N 27 117.565 122.139 -4.574 1
1 231 . 13 1 1 A 28 28 THR H H 28 8.801 8.728 0.073 1
1 232 . 13 1 1 A 28 28 THR HA H 28 5.419 5.271 0.148 1
1 237 . 13 1 1 A 28 28 THR C C 28 174.650 173.877 0.773 1
1 238 . 13 1 1 A 28 28 THR CA C 28 61.203 61.627 -0.424 1
1 239 . 13 1 1 A 28 28 THR CB C 28 70.508 70.785 -0.277 1
1 241 . 13 1 1 A 28 28 THR N N 28 115.093 115.842 -0.749 1
1 242 . 13 1 1 A 29 29 VAL H H 29 8.983 9.336 -0.353 1
1 243 . 13 1 1 A 29 29 VAL HA H 29 4.549 4.829 -0.280 1
1 251 . 13 1 1 A 29 29 VAL C C 29 173.686 174.760 -1.074 1
1 252 . 13 1 1 A 29 29 VAL CA C 29 60.118 60.517 -0.399 1
1 253 . 13 1 1 A 29 29 VAL CB C 29 35.498 35.307 0.191 1
1 256 . 13 1 1 A 29 29 VAL N N 29 121.743 126.009 -4.266 1
1 257 . 13 1 1 A 30 30 GLU H H 30 8.460 8.711 -0.251 1
1 258 . 13 1 1 A 30 30 GLU HA H 30 4.894 4.929 -0.035 1
1 263 . 13 1 1 A 30 30 GLU C C 30 175.807 176.235 -0.428 1
1 264 . 13 1 1 A 30 30 GLU CA C 30 54.922 56.096 -1.174 1
1 265 . 13 1 1 A 30 30 GLU CB C 30 31.123 30.660 0.463 1
1 267 . 13 1 1 A 30 30 GLU N N 30 125.512 126.968 -1.456 1
1 268 . 13 1 1 A 31 31 VAL H H 31 8.917 8.749 0.168 1
1 269 . 13 1 1 A 31 31 VAL HA H 31 4.634 4.838 -0.204 1
1 277 . 13 1 1 A 31 31 VAL C C 31 174.136 173.991 0.145 1
1 278 . 13 1 1 A 31 31 VAL CA C 31 58.299 58.675 -0.376 1
1 279 . 13 1 1 A 31 31 VAL CB C 31 35.067 35.685 -0.618 1
1 282 . 13 1 1 A 31 31 VAL N N 31 118.900 118.097 0.803 1
1 283 . 13 1 1 A 32 32 ASP H H 32 9.032 8.604 0.428 1
1 284 . 13 1 1 A 32 32 ASP HA H 32 4.943 4.683 0.260 1
1 287 . 13 1 1 A 32 32 ASP C C 32 177.992 177.389 0.603 1
1 288 . 13 1 1 A 32 32 ASP CA C 32 53.428 53.922 -0.494 1
1 289 . 13 1 1 A 32 32 ASP CB C 32 42.939 41.960 0.979 1
1 290 . 13 1 1 A 32 32 ASP N N 32 121.708 124.375 -2.667 1
1 291 . 13 1 1 A 33 33 ARG H H 33 8.847 8.880 -0.033 1
1 292 . 13 1 1 A 33 33 ARG HA H 33 3.952 4.070 -0.118 1
1 299 . 13 1 1 A 33 33 ARG C C 33 176.257 176.508 -0.251 1
1 300 . 13 1 1 A 33 33 ARG CA C 33 59.113 58.256 0.857 1
1 301 . 13 1 1 A 33 33 ARG CB C 33 30.011 29.832 0.179 1
1 304 . 13 1 1 A 33 33 ARG N N 33 121.873 123.596 -1.723 1
1 305 . 13 1 1 A 34 34 THR H H 34 8.058 8.151 -0.093 1
1 306 . 13 1 1 A 34 34 THR HA H 34 4.350 4.704 -0.354 1
1 311 . 13 1 1 A 34 34 THR C C 34 174.371 174.496 -0.125 1
1 312 . 13 1 1 A 34 34 THR CA C 34 60.432 61.886 -1.454 1
1 313 . 13 1 1 A 34 34 THR CB C 34 68.739 69.258 -0.519 1
1 315 . 13 1 1 A 34 34 THR N N 34 104.720 108.174 -3.454 1
1 316 . 13 1 1 A 35 35 GLU H H 35 7.473 7.674 -0.201 1
1 317 . 13 1 1 A 35 35 GLU HA H 35 4.239 4.216 0.023 1
1 322 . 13 1 1 A 35 35 GLU C C 35 176.021 176.871 -0.850 1
1 323 . 13 1 1 A 35 35 GLU CA C 35 56.921 57.232 -0.311 1
1 324 . 13 1 1 A 35 35 GLU CB C 35 31.086 30.085 1.001 1
1 326 . 13 1 1 A 35 35 GLU N N 35 123.129 123.961 -0.832 1
1 327 . 13 1 1 A 36 36 THR H H 36 8.432 8.753 -0.321 1
1 328 . 13 1 1 A 36 36 THR HA H 36 4.987 4.504 0.483 1
1 333 . 13 1 1 A 36 36 THR C C 36 175.939 175.933 0.006 1
1 334 . 13 1 1 A 36 36 THR CA C 36 60.249 63.292 -3.043 1
1 335 . 13 1 1 A 36 36 THR CB C 36 71.783 69.233 2.550 1
1 337 . 13 1 1 A 36 36 THR N N 36 112.476 121.418 -8.942 1
1 338 . 13 1 1 A 37 37 VAL H H 37 8.087 9.346 -1.259 1
1 339 . 13 1 1 A 37 37 VAL HA H 37 3.411 3.657 -0.246 1
1 347 . 13 1 1 A 37 37 VAL C C 37 178.249 177.722 0.527 1
1 348 . 13 1 1 A 37 37 VAL CA C 37 67.397 66.644 0.753 1
1 349 . 13 1 1 A 37 37 VAL CB C 37 31.567 31.643 -0.076 1
1 352 . 13 1 1 A 37 37 VAL N N 37 121.215 125.311 -4.096 1
1 353 . 13 1 1 A 38 38 SER H H 38 8.863 8.049 0.814 1
1 354 . 13 1 1 A 38 38 SER HA H 38 4.760 4.302 0.458 1
1 357 . 13 1 1 A 38 38 SER C C 38 176.814 176.529 0.285 1
1 358 . 13 1 1 A 38 38 SER CA C 38 57.746 61.318 -3.572 1
1 359 . 13 1 1 A 38 38 SER CB C 38 62.627 63.237 -0.610 1
1 360 . 13 1 1 A 38 38 SER N N 38 112.752 116.109 -3.357 1
1 361 . 13 1 1 A 39 39 SER H H 39 7.999 8.132 -0.133 1
1 362 . 13 1 1 A 39 39 SER HA H 39 4.318 4.284 0.034 1
1 365 . 13 1 1 A 39 39 SER C C 39 177.692 176.737 0.955 1
1 366 . 13 1 1 A 39 39 SER CA C 39 61.338 61.986 -0.648 1
1 367 . 13 1 1 A 39 39 SER CB C 39 62.349 63.018 -0.669 1
1 368 . 13 1 1 A 39 39 SER N N 39 117.918 117.718 0.200 1
1 369 . 13 1 1 A 40 40 LEU H H 40 8.227 8.521 -0.294 1
1 370 . 13 1 1 A 40 40 LEU HA H 40 4.104 4.068 0.036 1
1 380 . 13 1 1 A 40 40 LEU C C 40 178.420 178.829 -0.409 1
1 381 . 13 1 1 A 40 40 LEU CA C 40 58.235 58.191 0.044 1
1 382 . 13 1 1 A 40 40 LEU CB C 40 40.797 41.876 -1.079 1
1 386 . 13 1 1 A 40 40 LEU N N 40 123.592 123.108 0.484 1
1 387 . 13 1 1 A 41 41 LYS H H 41 8.470 8.126 0.344 1
1 388 . 13 1 1 A 41 41 LYS HA H 41 3.824 4.023 -0.199 1
1 397 . 13 1 1 A 41 41 LYS C C 41 178.476 178.775 -0.299 1
1 398 . 13 1 1 A 41 41 LYS CA C 41 61.313 60.261 1.052 1
1 399 . 13 1 1 A 41 41 LYS CB C 41 32.414 32.085 0.329 1
1 403 . 13 1 1 A 41 41 LYS N N 41 118.401 118.624 -0.223 1
1 404 . 13 1 1 A 42 42 ASP H H 42 7.956 8.410 -0.454 1
1 405 . 13 1 1 A 42 42 ASP HA H 42 4.447 4.346 0.101 1
1 408 . 13 1 1 A 42 42 ASP C C 42 178.806 178.998 -0.192 1
1 409 . 13 1 1 A 42 42 ASP CA C 42 57.802 57.657 0.145 1
1 410 . 13 1 1 A 42 42 ASP CB C 42 40.585 41.941 -1.356 1
1 411 . 13 1 1 A 42 42 ASP N N 42 119.295 119.844 -0.549 1
1 412 . 13 1 1 A 43 43 LYS H H 43 8.024 7.742 0.282 1
1 413 . 13 1 1 A 43 43 LYS HA H 43 4.039 4.160 -0.121 1
1 422 . 13 1 1 A 43 43 LYS C C 43 179.941 179.596 0.345 1
1 423 . 13 1 1 A 43 43 LYS CA C 43 60.014 59.592 0.422 1
1 424 . 13 1 1 A 43 43 LYS CB C 43 32.865 32.601 0.264 1
1 428 . 13 1 1 A 43 43 LYS N N 43 119.784 117.950 1.834 1
1 429 . 13 1 1 A 44 44 ILE H H 44 8.480 8.079 0.401 1
1 430 . 13 1 1 A 44 44 ILE HA H 44 3.702 3.862 -0.160 1
1 440 . 13 1 1 A 44 44 ILE C C 44 177.328 178.437 -1.109 1
1 441 . 13 1 1 A 44 44 ILE CA C 44 65.725 65.097 0.628 1
1 442 . 13 1 1 A 44 44 ILE CB C 44 38.110 37.494 0.616 1
1 446 . 13 1 1 A 44 44 ILE N N 44 119.363 120.385 -1.022 1
1 447 . 13 1 1 A 45 45 HIS H H 45 8.635 8.413 0.222 1
1 448 . 13 1 1 A 45 45 HIS HA H 45 4.471 4.187 0.284 1
1 453 . 13 1 1 A 45 45 HIS C C 45 176.407 177.060 -0.653 1
1 454 . 13 1 1 A 45 45 HIS CA C 45 58.451 59.489 -1.038 1
1 455 . 13 1 1 A 45 45 HIS CB C 45 28.055 29.782 -1.727 1
1 458 . 13 1 1 A 45 45 HIS N N 45 118.889 119.919 -1.030 1
1 461 . 13 1 1 A 46 46 ILE H H 46 7.868 7.565 0.303 1
1 462 . 13 1 1 A 46 46 ILE HA H 46 3.571 3.645 -0.074 1
1 472 . 13 1 1 A 46 46 ILE C C 46 177.371 178.270 -0.899 1
1 473 . 13 1 1 A 46 46 ILE CA C 46 63.925 63.792 0.133 1
1 474 . 13 1 1 A 46 46 ILE CB C 46 37.704 36.776 0.928 1
1 478 . 13 1 1 A 46 46 ILE N N 46 118.414 119.212 -0.798 1
1 479 . 13 1 1 A 47 47 VAL H H 47 7.223 7.588 -0.365 1
1 480 . 13 1 1 A 47 47 VAL HA H 47 3.684 3.509 0.175 1
1 488 . 13 1 1 A 47 47 VAL C C 47 176.706 176.356 0.350 1
1 489 . 13 1 1 A 47 47 VAL CA C 47 64.807 65.514 -0.707 1
1 490 . 13 1 1 A 47 47 VAL CB C 47 32.209 31.949 0.260 1
1 493 . 13 1 1 A 47 47 VAL N N 47 116.982 120.027 -3.045 1
1 494 . 13 1 1 A 48 48 GLU H H 48 8.090 8.163 -0.073 1
1 495 . 13 1 1 A 48 48 GLU HA H 48 4.271 4.167 0.104 1
1 500 . 13 1 1 A 48 48 GLU C C 48 176.042 176.037 0.005 1
1 501 . 13 1 1 A 48 48 GLU CA C 48 55.062 55.560 -0.498 1
1 502 . 13 1 1 A 48 48 GLU CB C 48 31.544 31.117 0.427 1
1 504 . 13 1 1 A 48 48 GLU N N 48 118.849 119.047 -0.198 1
1 505 . 13 1 1 A 49 49 ASN H H 49 8.113 8.357 -0.244 1
1 506 . 13 1 1 A 49 49 ASN HA H 49 4.137 4.794 -0.657 1
1 511 . 13 1 1 A 49 49 ASN C C 49 174.993 174.216 0.777 1
1 512 . 13 1 1 A 49 49 ASN CA C 49 54.287 52.923 1.364 1
1 513 . 13 1 1 A 49 49 ASN CB C 49 37.647 39.520 -1.873 1
1 514 . 13 1 1 A 49 49 ASN N N 49 118.695 117.959 0.736 1
1 516 . 13 1 1 A 50 50 THR H H 50 7.780 7.441 0.339 1
1 517 . 13 1 1 A 50 50 THR HA H 50 4.483 4.602 -0.119 1
1 522 . 13 1 1 A 50 50 THR C C 50 173.107 172.869 0.238 1
1 523 . 13 1 1 A 50 50 THR CA C 50 61.094 59.538 1.556 1
1 524 . 13 1 1 A 50 50 THR CB C 50 70.926 69.968 0.958 1
1 526 . 13 1 1 A 50 50 THR N N 50 118.434 116.171 2.263 1
1 527 . 13 1 1 A 51 51 PRO HA H 51 4.485 4.616 -0.131 1
1 534 . 13 1 1 A 51 51 PRO C C 51 178.067 177.687 0.380 1
1 535 . 13 1 1 A 51 51 PRO CA C 51 63.075 62.996 0.079 1
1 536 . 13 1 1 A 51 51 PRO CB C 51 31.996 32.736 -0.740 1
1 539 . 13 1 1 A 52 52 ILE H H 52 8.530 8.231 0.299 1
1 540 . 13 1 1 A 52 52 ILE HA H 52 3.764 3.859 -0.095 1
1 550 . 13 1 1 A 52 52 ILE C C 52 179.363 177.981 1.382 1
1 551 . 13 1 1 A 52 52 ILE CA C 52 64.855 64.021 0.834 1
1 552 . 13 1 1 A 52 52 ILE CB C 52 38.109 37.675 0.434 1
1 556 . 13 1 1 A 52 52 ILE N N 52 125.501 122.775 2.726 1
1 557 . 13 1 1 A 53 53 LYS H H 53 8.603 7.993 0.610 1
1 558 . 13 1 1 A 53 53 LYS HA H 53 4.180 4.268 -0.088 1
1 567 . 13 1 1 A 53 53 LYS C C 53 177.113 177.403 -0.290 1
1 568 . 13 1 1 A 53 53 LYS CA C 53 57.816 58.661 -0.845 1
1 569 . 13 1 1 A 53 53 LYS CB C 53 31.992 31.964 0.028 1
1 573 . 13 1 1 A 53 53 LYS N N 53 117.464 119.916 -2.452 1
1 574 . 13 1 1 A 54 54 ARG H H 54 7.479 7.482 -0.003 1
1 575 . 13 1 1 A 54 54 ARG HA H 54 4.361 4.444 -0.083 1
1 582 . 13 1 1 A 54 54 ARG C C 54 175.507 176.183 -0.676 1
1 583 . 13 1 1 A 54 54 ARG CA C 54 56.051 57.076 -1.025 1
1 584 . 13 1 1 A 54 54 ARG CB C 54 31.559 31.555 0.004 1
1 587 . 13 1 1 A 54 54 ARG N N 54 114.601 116.739 -2.138 1
1 588 . 13 1 1 A 55 55 MET H H 55 7.479 7.547 -0.068 1
1 589 . 13 1 1 A 55 55 MET HA H 55 4.435 4.721 -0.286 1
1 597 . 13 1 1 A 55 55 MET C C 55 175.276 175.091 0.185 1
1 598 . 13 1 1 A 55 55 MET CA C 55 57.365 54.088 3.277 1
1 599 . 13 1 1 A 55 55 MET CB C 55 35.142 34.131 1.011 1
1 602 . 13 1 1 A 55 55 MET N N 55 116.986 117.472 -0.486 1
1 603 . 13 1 1 A 56 56 GLN H H 56 8.958 9.388 -0.430 1
1 604 . 13 1 1 A 56 56 GLN HA H 56 4.502 5.082 -0.580 1
1 611 . 13 1 1 A 56 56 GLN C C 56 173.429 174.569 -1.140 1
1 612 . 13 1 1 A 56 56 GLN CA C 56 54.982 54.411 0.571 1
1 613 . 13 1 1 A 56 56 GLN CB C 56 32.420 31.983 0.437 1
1 615 . 13 1 1 A 56 56 GLN N N 56 124.094 124.376 -0.282 1
1 617 . 13 1 1 A 57 57 LEU H H 57 8.603 8.920 -0.317 1
1 618 . 13 1 1 A 57 57 LEU HA H 57 5.190 5.139 0.051 1
1 628 . 13 1 1 A 57 57 LEU C C 57 175.421 175.690 -0.269 1
1 629 . 13 1 1 A 57 57 LEU CA C 57 53.437 53.787 -0.350 1
1 630 . 13 1 1 A 57 57 LEU CB C 57 44.367 43.326 1.041 1
1 634 . 13 1 1 A 57 57 LEU N N 57 124.534 127.165 -2.631 1
1 635 . 13 1 1 A 58 58 TYR H H 58 9.319 9.731 -0.412 1
1 636 . 13 1 1 A 58 58 TYR HA H 58 5.145 5.317 -0.172 1
1 643 . 13 1 1 A 58 58 TYR C C 58 174.821 174.218 0.603 1
1 644 . 13 1 1 A 58 58 TYR CA C 58 56.503 56.516 -0.013 1
1 645 . 13 1 1 A 58 58 TYR CB C 58 43.323 40.934 2.389 1
1 648 . 13 1 1 A 58 58 TYR N N 58 119.746 123.372 -3.626 1
1 649 . 13 1 1 A 59 59 TYR H H 59 8.993 9.576 -0.583 1
1 650 . 13 1 1 A 59 59 TYR HA H 59 5.173 4.891 0.282 1
1 657 . 13 1 1 A 59 59 TYR C C 59 174.980 175.081 -0.101 1
1 658 . 13 1 1 A 59 59 TYR CA C 59 55.625 57.434 -1.809 1
1 659 . 13 1 1 A 59 59 TYR CB C 59 41.981 40.523 1.458 1
1 662 . 13 1 1 A 59 59 TYR N N 59 120.286 125.537 -5.251 1
1 663 . 13 1 1 A 60 60 SER H H 60 9.320 9.233 0.087 1
1 664 . 13 1 1 A 60 60 SER HA H 60 3.668 4.073 -0.405 1
1 667 . 13 1 1 A 60 60 SER C C 60 174.893 174.337 0.556 1
1 668 . 13 1 1 A 60 60 SER CA C 60 57.815 59.118 -1.303 1
1 669 . 13 1 1 A 60 60 SER CB C 60 62.602 61.420 1.182 1
1 670 . 13 1 1 A 60 60 SER N N 60 125.263 123.161 2.102 1
1 671 . 13 1 1 A 61 61 GLY H H 61 8.649 8.406 0.243 1
1 672 . 13 1 1 A 61 61 GLY HA2 H 61 4.035 3.983 0.052 1
1 673 . 13 1 1 A 61 61 GLY HA3 H 61 3.409 4.055 -0.646 1
1 674 . 13 1 1 A 61 61 GLY C C 61 173.346 174.082 -0.736 1
1 675 . 13 1 1 A 61 61 GLY CA C 61 44.726 45.047 -0.321 1
1 676 . 13 1 1 A 62 62 ILE H H 62 8.128 7.809 0.319 1
1 677 . 13 1 1 A 62 62 ILE HA H 62 4.304 4.079 0.225 1
1 687 . 13 1 1 A 62 62 ILE C C 62 174.950 175.326 -0.376 1
1 688 . 13 1 1 A 62 62 ILE CA C 62 59.396 60.408 -1.012 1
1 689 . 13 1 1 A 62 62 ILE CB C 62 39.110 37.185 1.925 1
1 693 . 13 1 1 A 62 62 ILE N N 62 123.077 122.393 0.684 1
1 694 . 13 1 1 A 63 63 GLU H H 63 8.697 8.495 0.202 1
1 695 . 13 1 1 A 63 63 GLU HA H 63 3.534 3.938 -0.404 1
1 700 . 13 1 1 A 63 63 GLU C C 63 177.156 175.830 1.326 1
1 701 . 13 1 1 A 63 63 GLU CA C 63 55.231 55.633 -0.402 1
1 702 . 13 1 1 A 63 63 GLU CB C 63 29.804 29.591 0.213 1
1 704 . 13 1 1 A 63 63 GLU N N 63 127.682 127.647 0.035 1
1 705 . 13 1 1 A 64 64 LEU H H 64 8.791 9.087 -0.296 1
1 706 . 13 1 1 A 64 64 LEU HA H 64 3.954 3.983 -0.029 1
1 716 . 13 1 1 A 64 64 LEU C C 64 176.428 176.554 -0.126 1
1 717 . 13 1 1 A 64 64 LEU CA C 64 52.211 54.050 -1.839 1
1 718 . 13 1 1 A 64 64 LEU CB C 64 37.239 39.723 -2.484 1
1 722 . 13 1 1 A 64 64 LEU N N 64 130.005 125.093 4.912 1
1 723 . 13 1 1 A 65 65 ALA H H 65 7.369 8.088 -0.719 1
1 724 . 13 1 1 A 65 65 ALA HA H 65 4.052 4.250 -0.198 1
1 728 . 13 1 1 A 65 65 ALA C C 65 176.322 176.827 -0.505 1
1 729 . 13 1 1 A 65 65 ALA CA C 65 53.207 52.470 0.737 1
1 730 . 13 1 1 A 65 65 ALA CB C 65 20.170 19.859 0.311 1
1 731 . 13 1 1 A 65 65 ALA N N 65 124.744 126.990 -2.246 1
1 732 . 13 1 1 A 66 66 ASP H H 66 7.472 7.068 0.404 1
1 733 . 13 1 1 A 66 66 ASP HA H 66 4.857 4.796 0.061 1
1 736 . 13 1 1 A 66 66 ASP C C 66 175.635 175.711 -0.076 1
1 737 . 13 1 1 A 66 66 ASP CA C 66 52.192 52.340 -0.148 1
1 738 . 13 1 1 A 66 66 ASP CB C 66 41.603 39.279 2.324 1
1 739 . 13 1 1 A 66 66 ASP N N 66 117.457 119.206 -1.749 1
1 740 . 13 1 1 A 67 67 ASP H H 67 8.541 8.726 -0.185 1
1 741 . 13 1 1 A 67 67 ASP HA H 67 4.209 4.330 -0.121 1
1 744 . 13 1 1 A 67 67 ASP C C 67 176.292 177.299 -1.007 1
1 745 . 13 1 1 A 67 67 ASP CA C 67 56.925 56.989 -0.064 1
1 746 . 13 1 1 A 67 67 ASP CB C 67 40.835 40.528 0.307 1
1 747 . 13 1 1 A 67 67 ASP N N 67 124.544 124.718 -0.174 1
1 748 . 13 1 1 A 68 68 TYR H H 68 7.701 7.630 0.071 1
1 749 . 13 1 1 A 68 68 TYR HA H 68 4.589 4.637 -0.048 1
1 756 . 13 1 1 A 68 68 TYR C C 68 175.742 176.040 -0.298 1
1 757 . 13 1 1 A 68 68 TYR CA C 68 56.622 58.261 -1.639 1
1 758 . 13 1 1 A 68 68 TYR CB C 68 37.607 38.666 -1.059 1
1 761 . 13 1 1 A 68 68 TYR N N 68 112.752 116.471 -3.719 1
1 762 . 13 1 1 A 69 69 ARG H H 69 7.182 7.539 -0.357 1
1 763 . 13 1 1 A 69 69 ARG HA H 69 4.245 4.664 -0.419 1
1 771 . 13 1 1 A 69 69 ARG C C 69 175.443 175.200 0.243 1
1 772 . 13 1 1 A 69 69 ARG CA C 69 56.056 54.125 1.931 1
1 773 . 13 1 1 A 69 69 ARG CB C 69 31.536 31.837 -0.301 1
1 776 . 13 1 1 A 69 69 ARG N N 69 122.155 121.165 0.990 1
1 778 . 13 1 1 A 70 70 ASN H H 70 8.749 8.619 0.130 1
1 779 . 13 1 1 A 70 70 ASN HA H 70 5.068 5.010 0.058 1
1 784 . 13 1 1 A 70 70 ASN C C 70 177.349 176.266 1.083 1
1 785 . 13 1 1 A 70 70 ASN CA C 70 52.528 51.743 0.785 1
1 786 . 13 1 1 A 70 70 ASN CB C 70 39.856 41.221 -1.365 1
1 787 . 13 1 1 A 70 70 ASN N N 70 120.300 118.033 2.267 1
1 789 . 13 1 1 A 71 71 LEU H H 71 8.603 9.252 -0.649 1
1 790 . 13 1 1 A 71 71 LEU HA H 71 3.943 4.087 -0.144 1
1 800 . 13 1 1 A 71 71 LEU C C 71 179.470 179.005 0.465 1
1 801 . 13 1 1 A 71 71 LEU CA C 71 58.074 57.741 0.333 1
1 802 . 13 1 1 A 71 71 LEU CB C 71 39.446 41.365 -1.919 1
1 806 . 13 1 1 A 71 71 LEU N N 71 118.872 124.083 -5.211 1
1 807 . 13 1 1 A 72 72 ASN H H 72 8.561 8.402 0.159 1
1 808 . 13 1 1 A 72 72 ASN HA H 72 4.394 4.378 0.016 1
1 813 . 13 1 1 A 72 72 ASN C C 72 178.592 176.970 1.622 1
1 814 . 13 1 1 A 72 72 ASN CA C 72 56.065 55.632 0.433 1
1 815 . 13 1 1 A 72 72 ASN CB C 72 37.663 37.386 0.277 1
1 816 . 13 1 1 A 72 72 ASN N N 72 115.744 116.320 -0.576 1
1 818 . 13 1 1 A 73 73 GLU H H 73 7.979 7.885 0.094 1
1 819 . 13 1 1 A 73 73 GLU HA H 73 4.041 4.015 0.026 1
1 824 . 13 1 1 A 73 73 GLU C C 73 177.778 177.338 0.440 1
1 825 . 13 1 1 A 73 73 GLU CA C 73 58.680 58.615 0.065 1
1 826 . 13 1 1 A 73 73 GLU CB C 73 29.114 29.360 -0.246 1
1 828 . 13 1 1 A 73 73 GLU N N 73 121.014 119.300 1.714 1
1 829 . 13 1 1 A 74 74 TYR H H 74 7.500 7.514 -0.014 1
1 830 . 13 1 1 A 74 74 TYR HA H 74 4.567 4.630 -0.063 1
1 837 . 13 1 1 A 74 74 TYR C C 74 175.592 175.844 -0.252 1
1 838 . 13 1 1 A 74 74 TYR CA C 74 58.790 57.688 1.102 1
1 839 . 13 1 1 A 74 74 TYR CB C 74 39.440 38.764 0.676 1
1 842 . 13 1 1 A 74 74 TYR N N 74 115.573 116.317 -0.744 1
1 843 . 13 1 1 A 75 75 GLY H H 75 7.702 7.578 0.124 1
1 844 . 13 1 1 A 75 75 GLY HA2 H 75 4.274 3.971 0.303 1
1 845 . 13 1 1 A 75 75 GLY HA3 H 75 3.749 4.030 -0.281 1
1 846 . 13 1 1 A 75 75 GLY C C 75 174.007 174.672 -0.665 1
1 847 . 13 1 1 A 75 75 GLY CA C 75 45.133 46.483 -1.350 1
1 848 . 13 1 1 A 75 75 GLY N N 75 105.620 109.069 -3.449 1
1 849 . 13 1 1 A 76 76 ILE H H 76 6.628 7.904 -1.276 1
1 850 . 13 1 1 A 76 76 ILE HA H 76 3.170 3.745 -0.575 1
1 860 . 13 1 1 A 76 76 ILE C C 76 174.607 174.903 -0.296 1
1 861 . 13 1 1 A 76 76 ILE CA C 76 62.037 61.052 0.985 1
1 862 . 13 1 1 A 76 76 ILE CB C 76 36.805 37.586 -0.781 1
1 866 . 13 1 1 A 76 76 ILE N N 76 120.041 121.653 -1.612 1
1 867 . 13 1 1 A 77 77 THR H H 77 8.437 8.780 -0.343 1
1 868 . 13 1 1 A 77 77 THR HA H 77 4.420 4.781 -0.361 1
1 873 . 13 1 1 A 77 77 THR C C 77 172.893 172.140 0.753 1
1 874 . 13 1 1 A 77 77 THR CA C 77 58.687 59.266 -0.579 1
1 875 . 13 1 1 A 77 77 THR CB C 77 70.917 71.239 -0.322 1
1 877 . 13 1 1 A 77 77 THR N N 77 121.014 120.523 0.491 1
1 878 . 13 1 1 A 78 78 GLU H H 78 8.235 8.614 -0.379 1
1 879 . 13 1 1 A 78 78 GLU HA H 78 4.088 4.037 0.051 1
1 884 . 13 1 1 A 78 78 GLU C C 78 177.242 177.411 -0.169 1
1 885 . 13 1 1 A 78 78 GLU CA C 78 58.254 57.922 0.332 1
1 886 . 13 1 1 A 78 78 GLU CB C 78 29.336 29.790 -0.454 1
1 888 . 13 1 1 A 78 78 GLU N N 78 121.643 123.863 -2.220 1
1 889 . 13 1 1 A 79 79 PHE H H 79 9.152 9.230 -0.078 1
1 890 . 13 1 1 A 79 79 PHE HA H 79 4.363 4.333 0.030 1
1 895 . 13 1 1 A 79 79 PHE C C 79 176.385 175.443 0.942 1
1 896 . 13 1 1 A 79 79 PHE CA C 79 59.552 59.088 0.464 1
1 897 . 13 1 1 A 79 79 PHE CB C 79 36.282 38.362 -2.080 1
1 899 . 13 1 1 A 79 79 PHE N N 79 118.909 125.698 -6.789 1
1 900 . 13 1 1 A 80 80 SER H H 80 8.341 7.533 0.808 1
1 901 . 13 1 1 A 80 80 SER HA H 80 4.576 4.693 -0.117 1
1 904 . 13 1 1 A 80 80 SER C C 80 171.629 174.081 -2.452 1
1 905 . 13 1 1 A 80 80 SER CA C 80 61.398 58.188 3.210 1
1 906 . 13 1 1 A 80 80 SER CB C 80 64.796 64.221 0.575 1
1 907 . 13 1 1 A 80 80 SER N N 80 118.396 114.946 3.450 1
1 908 . 13 1 1 A 81 81 GLU H H 81 8.692 8.510 0.182 1
1 909 . 13 1 1 A 81 81 GLU HA H 81 5.115 4.616 0.499 1
1 914 . 13 1 1 A 81 81 GLU C C 81 174.993 175.591 -0.598 1
1 915 . 13 1 1 A 81 81 GLU CA C 81 54.749 56.045 -1.296 1
1 916 . 13 1 1 A 81 81 GLU CB C 81 31.666 30.573 1.093 1
1 918 . 13 1 1 A 81 81 GLU N N 81 122.155 124.232 -2.077 1
1 919 . 13 1 1 A 82 82 ILE H H 82 9.335 9.715 -0.380 1
1 920 . 13 1 1 A 82 82 ILE HA H 82 4.796 4.755 0.041 1
1 930 . 13 1 1 A 82 82 ILE C C 82 174.350 174.914 -0.564 1
1 931 . 13 1 1 A 82 82 ILE CA C 82 58.543 59.459 -0.916 1
1 932 . 13 1 1 A 82 82 ILE CB C 82 39.050 38.709 0.341 1
1 936 . 13 1 1 A 82 82 ILE N N 82 127.389 125.850 1.539 1
1 937 . 13 1 1 A 83 83 VAL H H 83 9.136 9.585 -0.449 1
1 938 . 13 1 1 A 83 83 VAL HA H 83 4.359 4.411 -0.052 1
1 946 . 13 1 1 A 83 83 VAL C C 83 174.971 175.308 -0.337 1
1 947 . 13 1 1 A 83 83 VAL CA C 83 61.756 62.076 -0.320 1
1 948 . 13 1 1 A 83 83 VAL CB C 83 33.537 32.113 1.424 1
1 951 . 13 1 1 A 83 83 VAL N N 83 128.322 128.532 -0.210 1
1 952 . 13 1 1 A 84 84 VAL H H 84 8.019 8.963 -0.944 1
1 953 . 13 1 1 A 84 84 VAL HA H 84 4.524 4.720 -0.196 1
1 961 . 13 1 1 A 84 84 VAL C C 84 175.090 175.023 0.067 1
1 962 . 13 1 1 A 84 84 VAL CA C 84 61.268 60.692 0.576 1
1 963 . 13 1 1 A 84 84 VAL CB C 84 32.543 32.061 0.482 1
1 966 . 13 1 1 A 84 84 VAL N N 84 125.746 128.329 -2.583 1
1 967 . 13 1 1 A 85 85 PHE H H 85 9.165 9.067 0.098 1
1 968 . 13 1 1 A 85 85 PHE HA H 85 4.795 4.991 -0.196 1
1 976 . 13 1 1 A 85 85 PHE C C 85 174.414 174.969 -0.555 1
1 977 . 13 1 1 A 85 85 PHE CA C 85 55.636 57.020 -1.384 1
1 978 . 13 1 1 A 85 85 PHE CB C 85 41.618 40.648 0.970 1
1 982 . 13 1 1 A 85 85 PHE N N 85 126.921 126.251 0.670 1
1 983 . 13 1 1 A 86 86 LEU H H 86 8.314 8.893 -0.579 1
1 984 . 13 1 1 A 86 86 LEU HA H 86 5.103 4.840 0.263 1
1 994 . 13 1 1 A 86 86 LEU C C 86 177.221 176.075 1.146 1
1 995 . 13 1 1 A 86 86 LEU CA C 86 52.667 54.009 -1.342 1
1 996 . 13 1 1 A 86 86 LEU CB C 86 42.493 42.632 -0.139 1
1 1000 . 13 1 1 A 86 86 LEU N N 86 122.166 124.548 -2.382 1
1 1001 . 13 1 1 A 87 87 LYS H H 87 9.006 9.505 -0.499 1
1 1002 . 13 1 1 A 87 87 LYS HA H 87 4.276 4.787 -0.511 1
1 1011 . 13 1 1 A 87 87 LYS C C 87 176.685 174.611 2.074 1
1 1012 . 13 1 1 A 87 87 LYS CA C 87 56.069 55.303 0.766 1
1 1013 . 13 1 1 A 87 87 LYS CB C 87 33.751 32.236 1.515 1
1 1017 . 13 1 1 A 87 87 LYS N N 87 124.552 125.660 -1.108 1
1 1018 . 13 1 1 A 88 88 SER H H 88 8.640 8.920 -0.280 1
1 1019 . 13 1 1 A 88 88 SER HA H 88 4.461 4.691 -0.230 1
1 1022 . 13 1 1 A 88 88 SER C C 88 174.671 173.288 1.383 1
1 1023 . 13 1 1 A 88 88 SER CA C 88 58.244 57.158 1.086 1
1 1024 . 13 1 1 A 88 88 SER CB C 88 63.518 62.800 0.718 1
1 1025 . 13 1 1 A 88 88 SER N N 88 118.741 120.675 -1.934 1
1 1026 . 13 1 1 A 89 89 ILE H H 89 8.401 8.203 0.198 1
1 1027 . 13 1 1 A 89 89 ILE HA H 89 4.173 4.879 -0.706 1
1 1037 . 13 1 1 A 89 89 ILE C C 89 175.828 174.714 1.114 1
1 1038 . 13 1 1 A 89 89 ILE CA C 89 61.240 59.774 1.466 1
1 1039 . 13 1 1 A 89 89 ILE CB C 89 38.930 39.212 -0.282 1
1 1043 . 13 1 1 A 89 89 ILE N N 89 122.196 123.690 -1.494 1
1 1044 . 13 1 1 A 90 90 ASN H H 90 8.479 8.883 -0.404 1
1 1045 . 13 1 1 A 90 90 ASN HA H 90 4.709 5.465 -0.756 1
1 1050 . 13 1 1 A 90 90 ASN C C 90 174.971 173.594 1.377 1
1 1051 . 13 1 1 A 90 90 ASN CA C 90 52.863 51.928 0.935 1
1 1052 . 13 1 1 A 90 90 ASN CB C 90 38.726 42.128 -3.402 1
1 1053 . 13 1 1 A 90 90 ASN N N 90 122.645 124.950 -2.305 1
1 1055 . 13 1 1 A 91 91 ARG H H 91 8.340 9.109 -0.769 1
1 1056 . 13 1 1 A 91 91 ARG HA H 91 4.321 5.011 -0.690 1
1 1063 . 13 1 1 A 91 91 ARG C C 91 175.850 174.660 1.190 1
1 1064 . 13 1 1 A 91 91 ARG CA C 91 55.708 54.509 1.199 1
1 1065 . 13 1 1 A 91 91 ARG CB C 91 30.704 33.672 -2.968 1
1 1068 . 13 1 1 A 91 91 ARG N N 91 122.190 124.217 -2.027 1
1 1069 . 13 1 1 A 92 92 ALA H H 92 8.310 8.506 -0.196 1
1 1070 . 13 1 1 A 92 92 ALA HA H 92 4.292 4.701 -0.409 1
1 1074 . 13 1 1 A 92 92 ALA C C 92 177.456 177.785 -0.329 1
1 1075 . 13 1 1 A 92 92 ALA CA C 92 52.524 50.322 2.202 1
1 1076 . 13 1 1 A 92 92 ALA CB C 92 19.254 21.806 -2.552 1
1 1077 . 13 1 1 A 92 92 ALA N N 92 125.492 123.770 1.722 1
1 1078 . 13 1 1 A 93 93 LYS H H 93 8.189 8.945 -0.756 1
1 1079 . 13 1 1 A 93 93 LYS HA H 93 4.318 4.350 -0.032 1
1 1088 . 13 1 1 A 93 93 LYS C C 93 175.357 175.466 -0.109 1
1 1089 . 13 1 1 A 93 93 LYS CA C 93 56.059 57.382 -1.323 1
1 1090 . 13 1 1 A 93 93 LYS CB C 93 33.101 33.756 -0.655 1
1 1094 . 13 1 1 A 93 93 LYS N N 93 120.307 120.978 -0.671 1
1 1 . 14 1 1 A 11 11 ALA HA H 11 4.252 4.577 -0.325 1
1 5 . 14 1 1 A 11 11 ALA CA C 11 52.471 50.571 1.900 1
1 6 . 14 1 1 A 11 11 ALA CB C 11 19.020 23.689 -4.669 1
1 7 . 14 1 1 A 12 12 ALA H H 12 8.179 8.438 -0.259 1
1 8 . 14 1 1 A 12 12 ALA HA H 12 4.291 4.464 -0.173 1
1 12 . 14 1 1 A 12 12 ALA C C 12 177.662 177.634 0.028 1
1 13 . 14 1 1 A 12 12 ALA CA C 12 52.444 51.991 0.453 1
1 14 . 14 1 1 A 12 12 ALA CB C 12 18.943 19.095 -0.152 1
1 15 . 14 1 1 A 12 12 ALA N N 12 123.114 120.136 2.978 1
1 16 . 14 1 1 A 13 13 VAL H H 13 8.006 7.370 0.636 1
1 17 . 14 1 1 A 13 13 VAL HA H 13 4.100 3.919 0.181 1
1 25 . 14 1 1 A 13 13 VAL C C 13 175.990 175.647 0.343 1
1 26 . 14 1 1 A 13 13 VAL CA C 13 62.182 62.838 -0.656 1
1 27 . 14 1 1 A 13 13 VAL CB C 13 32.442 31.010 1.432 1
1 29 . 14 1 1 A 13 13 VAL N N 13 119.213 119.964 -0.751 1
1 30 . 14 1 1 A 14 14 ARG H H 14 8.329 8.492 -0.163 1
1 31 . 14 1 1 A 14 14 ARG HA H 14 4.344 4.948 -0.604 1
1 38 . 14 1 1 A 14 14 ARG C C 14 175.844 175.234 0.610 1
1 39 . 14 1 1 A 14 14 ARG CA C 14 56.071 54.209 1.862 1
1 40 . 14 1 1 A 14 14 ARG CB C 14 31.099 32.825 -1.726 1
1 43 . 14 1 1 A 14 14 ARG N N 14 125.039 127.210 -2.171 1
1 44 . 14 1 1 A 15 15 LYS H H 15 8.147 8.510 -0.363 1
1 45 . 14 1 1 A 15 15 LYS HA H 15 4.552 4.472 0.080 1
1 54 . 14 1 1 A 15 15 LYS C C 15 176.186 177.172 -0.986 1
1 55 . 14 1 1 A 15 15 LYS CA C 15 55.632 56.443 -0.811 1
1 56 . 14 1 1 A 15 15 LYS CB C 15 33.543 33.226 0.317 1
1 60 . 14 1 1 A 15 15 LYS N N 15 121.711 123.513 -1.802 1
1 61 . 14 1 1 A 16 16 ILE H H 16 8.764 9.045 -0.281 1
1 62 . 14 1 1 A 16 16 ILE HA H 16 4.508 4.531 -0.023 1
1 72 . 14 1 1 A 16 16 ILE C C 16 174.333 175.020 -0.687 1
1 73 . 14 1 1 A 16 16 ILE CA C 16 59.343 59.349 -0.006 1
1 74 . 14 1 1 A 16 16 ILE CB C 16 41.575 39.783 1.792 1
1 78 . 14 1 1 A 16 16 ILE N N 16 116.484 119.238 -2.754 1
1 79 . 14 1 1 A 17 17 HIS H H 17 8.659 8.491 0.168 1
1 80 . 14 1 1 A 17 17 HIS HA H 17 5.130 4.855 0.275 1
1 85 . 14 1 1 A 17 17 HIS C C 17 174.788 175.215 -0.427 1
1 86 . 14 1 1 A 17 17 HIS CA C 17 55.562 55.093 0.469 1
1 87 . 14 1 1 A 17 17 HIS CB C 17 30.047 28.552 1.495 1
1 90 . 14 1 1 A 17 17 HIS N N 17 119.826 122.198 -2.372 1
1 93 . 14 1 1 A 18 18 VAL H H 18 8.788 8.454 0.334 1
1 94 . 14 1 1 A 18 18 VAL HA H 18 4.681 4.520 0.161 1
1 102 . 14 1 1 A 18 18 VAL C C 18 174.631 175.023 -0.392 1
1 103 . 14 1 1 A 18 18 VAL CA C 18 59.568 61.182 -1.614 1
1 104 . 14 1 1 A 18 18 VAL CB C 18 34.191 32.956 1.235 1
1 107 . 14 1 1 A 18 18 VAL N N 18 117.203 120.650 -3.447 1
1 108 . 14 1 1 A 19 19 THR H H 19 8.746 9.228 -0.482 1
1 109 . 14 1 1 A 19 19 THR HA H 19 4.603 4.842 -0.239 1
1 114 . 14 1 1 A 19 19 THR C C 19 172.422 173.621 -1.199 1
1 115 . 14 1 1 A 19 19 THR CA C 19 62.159 62.082 0.077 1
1 116 . 14 1 1 A 19 19 THR CB C 19 69.640 69.573 0.067 1
1 118 . 14 1 1 A 19 19 THR N N 19 121.216 119.505 1.711 1
1 119 . 14 1 1 A 20 20 VAL H H 20 9.268 9.280 -0.012 1
1 120 . 14 1 1 A 20 20 VAL HA H 20 4.426 4.430 -0.004 1
1 128 . 14 1 1 A 20 20 VAL C C 20 174.013 174.647 -0.634 1
1 129 . 14 1 1 A 20 20 VAL CA C 20 61.312 61.512 -0.200 1
1 130 . 14 1 1 A 20 20 VAL CB C 20 31.567 32.018 -0.451 1
1 133 . 14 1 1 A 20 20 VAL N N 20 128.437 128.119 0.318 1
1 134 . 14 1 1 A 21 21 LYS H H 21 9.147 9.223 -0.076 1
1 135 . 14 1 1 A 21 21 LYS HA H 21 4.759 4.735 0.024 1
1 144 . 14 1 1 A 21 21 LYS C C 21 175.935 175.121 0.814 1
1 145 . 14 1 1 A 21 21 LYS CA C 21 55.384 55.088 0.296 1
1 146 . 14 1 1 A 21 21 LYS CB C 21 34.197 32.911 1.286 1
1 150 . 14 1 1 A 21 21 LYS N N 21 126.951 127.822 -0.871 1
1 151 . 14 1 1 A 22 22 PHE H H 22 8.938 8.707 0.231 1
1 152 . 14 1 1 A 22 22 PHE HA H 22 4.846 4.704 0.142 1
1 158 . 14 1 1 A 22 22 PHE C C 22 174.843 175.374 -0.531 1
1 159 . 14 1 1 A 22 22 PHE CA C 22 56.918 56.036 0.882 1
1 160 . 14 1 1 A 22 22 PHE CB C 22 39.021 40.724 -1.703 1
1 163 . 14 1 1 A 22 22 PHE N N 22 127.843 124.353 3.490 1
1 164 . 14 1 1 A 23 23 PRO HA H 23 4.192 4.489 -0.297 1
1 171 . 14 1 1 A 23 23 PRO C C 23 177.813 176.385 1.428 1
1 172 . 14 1 1 A 23 23 PRO CA C 23 66.150 63.067 3.083 1
1 173 . 14 1 1 A 23 23 PRO CB C 23 31.588 30.015 1.573 1
1 176 . 14 1 1 A 24 24 SER H H 24 8.115 8.712 -0.597 1
1 177 . 14 1 1 A 24 24 SER HA H 24 4.772 4.769 0.003 1
1 180 . 14 1 1 A 24 24 SER C C 24 173.836 173.572 0.264 1
1 181 . 14 1 1 A 24 24 SER CA C 24 56.928 59.551 -2.623 1
1 182 . 14 1 1 A 24 24 SER CB C 24 64.789 65.014 -0.225 1
1 183 . 14 1 1 A 24 24 SER N N 24 106.127 115.616 -9.489 1
1 184 . 14 1 1 A 25 25 LYS H H 25 7.321 8.120 -0.799 1
1 185 . 14 1 1 A 25 25 LYS HA H 25 4.739 4.937 -0.198 1
1 194 . 14 1 1 A 25 25 LYS C C 25 172.915 174.332 -1.417 1
1 195 . 14 1 1 A 25 25 LYS CA C 25 55.863 54.105 1.758 1
1 196 . 14 1 1 A 25 25 LYS CB C 25 34.621 36.476 -1.855 1
1 200 . 14 1 1 A 25 25 LYS N N 25 118.386 116.094 2.292 1
1 201 . 14 1 1 A 26 26 GLN H H 26 8.566 8.688 -0.122 1
1 202 . 14 1 1 A 26 26 GLN HA H 26 5.708 5.509 0.199 1
1 209 . 14 1 1 A 26 26 GLN C C 26 174.179 174.505 -0.326 1
1 210 . 14 1 1 A 26 26 GLN CA C 26 53.888 54.334 -0.446 1
1 211 . 14 1 1 A 26 26 GLN CB C 26 32.884 32.506 0.378 1
1 213 . 14 1 1 A 26 26 GLN N N 26 117.444 120.018 -2.574 1
1 215 . 14 1 1 A 27 27 PHE H H 27 8.564 8.437 0.127 1
1 216 . 14 1 1 A 27 27 PHE HA H 27 5.085 5.451 -0.366 1
1 224 . 14 1 1 A 27 27 PHE C C 27 173.234 172.746 0.488 1
1 225 . 14 1 1 A 27 27 PHE CA C 27 55.993 55.731 0.262 1
1 226 . 14 1 1 A 27 27 PHE CB C 27 40.088 42.481 -2.393 1
1 230 . 14 1 1 A 27 27 PHE N N 27 117.565 121.987 -4.422 1
1 231 . 14 1 1 A 28 28 THR H H 28 8.801 8.734 0.067 1
1 232 . 14 1 1 A 28 28 THR HA H 28 5.419 5.309 0.110 1
1 237 . 14 1 1 A 28 28 THR C C 28 174.650 173.533 1.117 1
1 238 . 14 1 1 A 28 28 THR CA C 28 61.203 61.661 -0.458 1
1 239 . 14 1 1 A 28 28 THR CB C 28 70.508 70.774 -0.266 1
1 241 . 14 1 1 A 28 28 THR N N 28 115.093 116.162 -1.069 1
1 242 . 14 1 1 A 29 29 VAL H H 29 8.983 9.290 -0.307 1
1 243 . 14 1 1 A 29 29 VAL HA H 29 4.549 4.973 -0.424 1
1 251 . 14 1 1 A 29 29 VAL C C 29 173.686 174.486 -0.800 1
1 252 . 14 1 1 A 29 29 VAL CA C 29 60.118 60.100 0.018 1
1 253 . 14 1 1 A 29 29 VAL CB C 29 35.498 35.757 -0.259 1
1 256 . 14 1 1 A 29 29 VAL N N 29 121.743 124.784 -3.041 1
1 257 . 14 1 1 A 30 30 GLU H H 30 8.460 8.671 -0.211 1
1 258 . 14 1 1 A 30 30 GLU HA H 30 4.894 4.973 -0.079 1
1 263 . 14 1 1 A 30 30 GLU C C 30 175.807 176.103 -0.296 1
1 264 . 14 1 1 A 30 30 GLU CA C 30 54.922 56.036 -1.114 1
1 265 . 14 1 1 A 30 30 GLU CB C 30 31.123 30.569 0.554 1
1 267 . 14 1 1 A 30 30 GLU N N 30 125.512 125.986 -0.474 1
1 268 . 14 1 1 A 31 31 VAL H H 31 8.917 8.556 0.361 1
1 269 . 14 1 1 A 31 31 VAL HA H 31 4.634 4.807 -0.173 1
1 277 . 14 1 1 A 31 31 VAL C C 31 174.136 173.825 0.311 1
1 278 . 14 1 1 A 31 31 VAL CA C 31 58.299 58.882 -0.583 1
1 279 . 14 1 1 A 31 31 VAL CB C 31 35.067 35.687 -0.620 1
1 282 . 14 1 1 A 31 31 VAL N N 31 118.900 117.918 0.982 1
1 283 . 14 1 1 A 32 32 ASP H H 32 9.032 8.686 0.346 1
1 284 . 14 1 1 A 32 32 ASP HA H 32 4.943 4.702 0.241 1
1 287 . 14 1 1 A 32 32 ASP C C 32 177.992 177.130 0.862 1
1 288 . 14 1 1 A 32 32 ASP CA C 32 53.428 53.883 -0.455 1
1 289 . 14 1 1 A 32 32 ASP CB C 32 42.939 41.984 0.955 1
1 290 . 14 1 1 A 32 32 ASP N N 32 121.708 124.686 -2.978 1
1 291 . 14 1 1 A 33 33 ARG H H 33 8.847 8.787 0.060 1
1 292 . 14 1 1 A 33 33 ARG HA H 33 3.952 3.999 -0.047 1
1 299 . 14 1 1 A 33 33 ARG C C 33 176.257 177.036 -0.779 1
1 300 . 14 1 1 A 33 33 ARG CA C 33 59.113 58.949 0.164 1
1 301 . 14 1 1 A 33 33 ARG CB C 33 30.011 29.620 0.391 1
1 304 . 14 1 1 A 33 33 ARG N N 33 121.873 123.789 -1.916 1
1 305 . 14 1 1 A 34 34 THR H H 34 8.058 8.273 -0.215 1
1 306 . 14 1 1 A 34 34 THR HA H 34 4.350 5.277 -0.927 1
1 311 . 14 1 1 A 34 34 THR C C 34 174.371 174.146 0.225 1
1 312 . 14 1 1 A 34 34 THR CA C 34 60.432 61.711 -1.279 1
1 313 . 14 1 1 A 34 34 THR CB C 34 68.739 69.189 -0.450 1
1 315 . 14 1 1 A 34 34 THR N N 34 104.720 106.540 -1.820 1
1 316 . 14 1 1 A 35 35 GLU H H 35 7.473 7.612 -0.139 1
1 317 . 14 1 1 A 35 35 GLU HA H 35 4.239 4.272 -0.033 1
1 322 . 14 1 1 A 35 35 GLU C C 35 176.021 176.012 0.009 1
1 323 . 14 1 1 A 35 35 GLU CA C 35 56.921 56.425 0.496 1
1 324 . 14 1 1 A 35 35 GLU CB C 35 31.086 30.399 0.687 1
1 326 . 14 1 1 A 35 35 GLU N N 35 123.129 123.964 -0.835 1
1 327 . 14 1 1 A 36 36 THR H H 36 8.432 8.670 -0.238 1
1 328 . 14 1 1 A 36 36 THR HA H 36 4.987 4.893 0.094 1
1 333 . 14 1 1 A 36 36 THR C C 36 175.939 176.344 -0.405 1
1 334 . 14 1 1 A 36 36 THR CA C 36 60.249 60.500 -0.251 1
1 335 . 14 1 1 A 36 36 THR CB C 36 71.783 71.427 0.356 1
1 337 . 14 1 1 A 36 36 THR N N 36 112.476 115.579 -3.103 1
1 338 . 14 1 1 A 37 37 VAL H H 37 8.087 8.778 -0.691 1
1 339 . 14 1 1 A 37 37 VAL HA H 37 3.411 3.646 -0.235 1
1 347 . 14 1 1 A 37 37 VAL C C 37 178.249 177.572 0.677 1
1 348 . 14 1 1 A 37 37 VAL CA C 37 67.397 66.564 0.833 1
1 349 . 14 1 1 A 37 37 VAL CB C 37 31.567 31.501 0.066 1
1 352 . 14 1 1 A 37 37 VAL N N 37 121.215 122.711 -1.496 1
1 353 . 14 1 1 A 38 38 SER H H 38 8.863 7.958 0.905 1
1 354 . 14 1 1 A 38 38 SER HA H 38 4.760 4.232 0.528 1
1 357 . 14 1 1 A 38 38 SER C C 38 176.814 176.667 0.147 1
1 358 . 14 1 1 A 38 38 SER CA C 38 57.746 61.639 -3.893 1
1 359 . 14 1 1 A 38 38 SER CB C 38 62.627 62.929 -0.302 1
1 360 . 14 1 1 A 38 38 SER N N 38 112.752 116.188 -3.436 1
1 361 . 14 1 1 A 39 39 SER H H 39 7.999 8.048 -0.049 1
1 362 . 14 1 1 A 39 39 SER HA H 39 4.318 4.322 -0.004 1
1 365 . 14 1 1 A 39 39 SER C C 39 177.692 176.724 0.968 1
1 366 . 14 1 1 A 39 39 SER CA C 39 61.338 61.857 -0.519 1
1 367 . 14 1 1 A 39 39 SER CB C 39 62.349 63.235 -0.886 1
1 368 . 14 1 1 A 39 39 SER N N 39 117.918 117.301 0.617 1
1 369 . 14 1 1 A 40 40 LEU H H 40 8.227 8.182 0.045 1
1 370 . 14 1 1 A 40 40 LEU HA H 40 4.104 4.048 0.056 1
1 380 . 14 1 1 A 40 40 LEU C C 40 178.420 178.902 -0.482 1
1 381 . 14 1 1 A 40 40 LEU CA C 40 58.235 58.230 0.005 1
1 382 . 14 1 1 A 40 40 LEU CB C 40 40.797 41.825 -1.028 1
1 386 . 14 1 1 A 40 40 LEU N N 40 123.592 123.211 0.381 1
1 387 . 14 1 1 A 41 41 LYS H H 41 8.470 8.231 0.239 1
1 388 . 14 1 1 A 41 41 LYS HA H 41 3.824 3.900 -0.076 1
1 397 . 14 1 1 A 41 41 LYS C C 41 178.476 178.748 -0.272 1
1 398 . 14 1 1 A 41 41 LYS CA C 41 61.313 60.370 0.943 1
1 399 . 14 1 1 A 41 41 LYS CB C 41 32.414 31.978 0.436 1
1 403 . 14 1 1 A 41 41 LYS N N 41 118.401 118.701 -0.300 1
1 404 . 14 1 1 A 42 42 ASP H H 42 7.956 8.064 -0.108 1
1 405 . 14 1 1 A 42 42 ASP HA H 42 4.447 4.319 0.128 1
1 408 . 14 1 1 A 42 42 ASP C C 42 178.806 178.901 -0.095 1
1 409 . 14 1 1 A 42 42 ASP CA C 42 57.802 57.587 0.215 1
1 410 . 14 1 1 A 42 42 ASP CB C 42 40.585 42.073 -1.488 1
1 411 . 14 1 1 A 42 42 ASP N N 42 119.295 119.962 -0.667 1
1 412 . 14 1 1 A 43 43 LYS H H 43 8.024 7.747 0.277 1
1 413 . 14 1 1 A 43 43 LYS HA H 43 4.039 4.117 -0.078 1
1 422 . 14 1 1 A 43 43 LYS C C 43 179.941 179.495 0.446 1
1 423 . 14 1 1 A 43 43 LYS CA C 43 60.014 59.069 0.945 1
1 424 . 14 1 1 A 43 43 LYS CB C 43 32.865 32.528 0.337 1
1 428 . 14 1 1 A 43 43 LYS N N 43 119.784 117.954 1.830 1
1 429 . 14 1 1 A 44 44 ILE H H 44 8.480 7.904 0.576 1
1 430 . 14 1 1 A 44 44 ILE HA H 44 3.702 3.923 -0.221 1
1 440 . 14 1 1 A 44 44 ILE C C 44 177.328 178.485 -1.157 1
1 441 . 14 1 1 A 44 44 ILE CA C 44 65.725 65.146 0.579 1
1 442 . 14 1 1 A 44 44 ILE CB C 44 38.110 37.828 0.282 1
1 446 . 14 1 1 A 44 44 ILE N N 44 119.363 120.272 -0.909 1
1 447 . 14 1 1 A 45 45 HIS H H 45 8.635 8.302 0.333 1
1 448 . 14 1 1 A 45 45 HIS HA H 45 4.471 4.468 0.003 1
1 453 . 14 1 1 A 45 45 HIS C C 45 176.407 177.203 -0.796 1
1 454 . 14 1 1 A 45 45 HIS CA C 45 58.451 59.523 -1.072 1
1 455 . 14 1 1 A 45 45 HIS CB C 45 28.055 29.802 -1.747 1
1 458 . 14 1 1 A 45 45 HIS N N 45 118.889 119.836 -0.947 1
1 461 . 14 1 1 A 46 46 ILE H H 46 7.868 7.786 0.082 1
1 462 . 14 1 1 A 46 46 ILE HA H 46 3.571 3.610 -0.039 1
1 472 . 14 1 1 A 46 46 ILE C C 46 177.371 178.614 -1.243 1
1 473 . 14 1 1 A 46 46 ILE CA C 46 63.925 63.971 -0.046 1
1 474 . 14 1 1 A 46 46 ILE CB C 46 37.704 36.916 0.788 1
1 478 . 14 1 1 A 46 46 ILE N N 46 118.414 119.309 -0.895 1
1 479 . 14 1 1 A 47 47 VAL H H 47 7.223 7.059 0.164 1
1 480 . 14 1 1 A 47 47 VAL HA H 47 3.684 3.683 0.001 1
1 488 . 14 1 1 A 47 47 VAL C C 47 176.706 175.626 1.080 1
1 489 . 14 1 1 A 47 47 VAL CA C 47 64.807 64.716 0.091 1
1 490 . 14 1 1 A 47 47 VAL CB C 47 32.209 32.241 -0.032 1
1 493 . 14 1 1 A 47 47 VAL N N 47 116.982 118.951 -1.969 1
1 494 . 14 1 1 A 48 48 GLU H H 48 8.090 8.284 -0.194 1
1 495 . 14 1 1 A 48 48 GLU HA H 48 4.271 4.484 -0.213 1
1 500 . 14 1 1 A 48 48 GLU C C 48 176.042 176.322 -0.280 1
1 501 . 14 1 1 A 48 48 GLU CA C 48 55.062 54.861 0.201 1
1 502 . 14 1 1 A 48 48 GLU CB C 48 31.544 32.306 -0.762 1
1 504 . 14 1 1 A 48 48 GLU N N 48 118.849 119.766 -0.917 1
1 505 . 14 1 1 A 49 49 ASN H H 49 8.113 8.560 -0.447 1
1 506 . 14 1 1 A 49 49 ASN HA H 49 4.137 4.581 -0.444 1
1 511 . 14 1 1 A 49 49 ASN C C 49 174.993 175.613 -0.620 1
1 512 . 14 1 1 A 49 49 ASN CA C 49 54.287 54.012 0.275 1
1 513 . 14 1 1 A 49 49 ASN CB C 49 37.647 38.665 -1.018 1
1 514 . 14 1 1 A 49 49 ASN N N 49 118.695 122.020 -3.325 1
1 516 . 14 1 1 A 50 50 THR H H 50 7.780 7.529 0.251 1
1 517 . 14 1 1 A 50 50 THR HA H 50 4.483 4.453 0.030 1
1 522 . 14 1 1 A 50 50 THR C C 50 173.107 173.124 -0.017 1
1 523 . 14 1 1 A 50 50 THR CA C 50 61.094 60.894 0.200 1
1 524 . 14 1 1 A 50 50 THR CB C 50 70.926 69.634 1.292 1
1 526 . 14 1 1 A 50 50 THR N N 50 118.434 116.828 1.606 1
1 527 . 14 1 1 A 51 51 PRO HA H 51 4.485 4.643 -0.158 1
1 534 . 14 1 1 A 51 51 PRO C C 51 178.067 177.866 0.201 1
1 535 . 14 1 1 A 51 51 PRO CA C 51 63.075 63.240 -0.165 1
1 536 . 14 1 1 A 51 51 PRO CB C 51 31.996 32.644 -0.648 1
1 539 . 14 1 1 A 52 52 ILE H H 52 8.530 8.341 0.189 1
1 540 . 14 1 1 A 52 52 ILE HA H 52 3.764 3.881 -0.117 1
1 550 . 14 1 1 A 52 52 ILE C C 52 179.363 177.857 1.506 1
1 551 . 14 1 1 A 52 52 ILE CA C 52 64.855 63.698 1.157 1
1 552 . 14 1 1 A 52 52 ILE CB C 52 38.109 37.929 0.180 1
1 556 . 14 1 1 A 52 52 ILE N N 52 125.501 122.955 2.546 1
1 557 . 14 1 1 A 53 53 LYS H H 53 8.603 8.015 0.588 1
1 558 . 14 1 1 A 53 53 LYS HA H 53 4.180 4.064 0.116 1
1 567 . 14 1 1 A 53 53 LYS C C 53 177.113 179.137 -2.024 1
1 568 . 14 1 1 A 53 53 LYS CA C 53 57.816 59.697 -1.881 1
1 569 . 14 1 1 A 53 53 LYS CB C 53 31.992 32.037 -0.045 1
1 573 . 14 1 1 A 53 53 LYS N N 53 117.464 119.699 -2.235 1
1 574 . 14 1 1 A 54 54 ARG H H 54 7.479 7.504 -0.025 1
1 575 . 14 1 1 A 54 54 ARG HA H 54 4.361 4.314 0.047 1
1 582 . 14 1 1 A 54 54 ARG C C 54 175.507 176.503 -0.996 1
1 583 . 14 1 1 A 54 54 ARG CA C 54 56.051 58.539 -2.488 1
1 584 . 14 1 1 A 54 54 ARG CB C 54 31.559 30.927 0.632 1
1 587 . 14 1 1 A 54 54 ARG N N 54 114.601 117.704 -3.103 1
1 588 . 14 1 1 A 55 55 MET H H 55 7.479 7.836 -0.357 1
1 589 . 14 1 1 A 55 55 MET HA H 55 4.435 4.707 -0.272 1
1 597 . 14 1 1 A 55 55 MET C C 55 175.276 175.197 0.079 1
1 598 . 14 1 1 A 55 55 MET CA C 55 57.365 54.414 2.951 1
1 599 . 14 1 1 A 55 55 MET CB C 55 35.142 33.683 1.459 1
1 602 . 14 1 1 A 55 55 MET N N 55 116.986 117.077 -0.091 1
1 603 . 14 1 1 A 56 56 GLN H H 56 8.958 9.175 -0.217 1
1 604 . 14 1 1 A 56 56 GLN HA H 56 4.502 4.961 -0.459 1
1 611 . 14 1 1 A 56 56 GLN C C 56 173.429 174.694 -1.265 1
1 612 . 14 1 1 A 56 56 GLN CA C 56 54.982 54.523 0.459 1
1 613 . 14 1 1 A 56 56 GLN CB C 56 32.420 31.390 1.030 1
1 615 . 14 1 1 A 56 56 GLN N N 56 124.094 125.227 -1.133 1
1 617 . 14 1 1 A 57 57 LEU H H 57 8.603 8.752 -0.149 1
1 618 . 14 1 1 A 57 57 LEU HA H 57 5.190 4.995 0.195 1
1 628 . 14 1 1 A 57 57 LEU C C 57 175.421 175.849 -0.428 1
1 629 . 14 1 1 A 57 57 LEU CA C 57 53.437 53.950 -0.513 1
1 630 . 14 1 1 A 57 57 LEU CB C 57 44.367 43.080 1.287 1
1 634 . 14 1 1 A 57 57 LEU N N 57 124.534 126.971 -2.437 1
1 635 . 14 1 1 A 58 58 TYR H H 58 9.319 9.575 -0.256 1
1 636 . 14 1 1 A 58 58 TYR HA H 58 5.145 5.360 -0.215 1
1 643 . 14 1 1 A 58 58 TYR C C 58 174.821 174.332 0.489 1
1 644 . 14 1 1 A 58 58 TYR CA C 58 56.503 56.406 0.097 1
1 645 . 14 1 1 A 58 58 TYR CB C 58 43.323 41.861 1.462 1
1 648 . 14 1 1 A 58 58 TYR N N 58 119.746 123.054 -3.308 1
1 649 . 14 1 1 A 59 59 TYR H H 59 8.993 9.609 -0.616 1
1 650 . 14 1 1 A 59 59 TYR HA H 59 5.173 4.931 0.242 1
1 657 . 14 1 1 A 59 59 TYR C C 59 174.980 175.168 -0.188 1
1 658 . 14 1 1 A 59 59 TYR CA C 59 55.625 57.248 -1.623 1
1 659 . 14 1 1 A 59 59 TYR CB C 59 41.981 40.889 1.092 1
1 662 . 14 1 1 A 59 59 TYR N N 59 120.286 125.042 -4.756 1
1 663 . 14 1 1 A 60 60 SER H H 60 9.320 9.076 0.244 1
1 664 . 14 1 1 A 60 60 SER HA H 60 3.668 4.040 -0.372 1
1 667 . 14 1 1 A 60 60 SER C C 60 174.893 174.395 0.498 1
1 668 . 14 1 1 A 60 60 SER CA C 60 57.815 59.099 -1.284 1
1 669 . 14 1 1 A 60 60 SER CB C 60 62.602 61.435 1.167 1
1 670 . 14 1 1 A 60 60 SER N N 60 125.263 123.056 2.207 1
1 671 . 14 1 1 A 61 61 GLY H H 61 8.649 8.399 0.250 1
1 672 . 14 1 1 A 61 61 GLY HA2 H 61 4.035 3.891 0.144 1
1 673 . 14 1 1 A 61 61 GLY HA3 H 61 3.409 3.931 -0.522 1
1 674 . 14 1 1 A 61 61 GLY C C 61 173.346 173.888 -0.542 1
1 675 . 14 1 1 A 61 61 GLY CA C 61 44.726 45.056 -0.330 1
1 676 . 14 1 1 A 62 62 ILE H H 62 8.128 8.012 0.116 1
1 677 . 14 1 1 A 62 62 ILE HA H 62 4.304 4.174 0.130 1
1 687 . 14 1 1 A 62 62 ILE C C 62 174.950 175.384 -0.434 1
1 688 . 14 1 1 A 62 62 ILE CA C 62 59.396 60.316 -0.920 1
1 689 . 14 1 1 A 62 62 ILE CB C 62 39.110 37.650 1.460 1
1 693 . 14 1 1 A 62 62 ILE N N 62 123.077 123.023 0.054 1
1 694 . 14 1 1 A 63 63 GLU H H 63 8.697 8.658 0.039 1
1 695 . 14 1 1 A 63 63 GLU HA H 63 3.534 4.048 -0.514 1
1 700 . 14 1 1 A 63 63 GLU C C 63 177.156 175.856 1.300 1
1 701 . 14 1 1 A 63 63 GLU CA C 63 55.231 55.929 -0.698 1
1 702 . 14 1 1 A 63 63 GLU CB C 63 29.804 29.980 -0.176 1
1 704 . 14 1 1 A 63 63 GLU N N 63 127.682 127.736 -0.054 1
1 705 . 14 1 1 A 64 64 LEU H H 64 8.791 8.715 0.076 1
1 706 . 14 1 1 A 64 64 LEU HA H 64 3.954 4.082 -0.128 1
1 716 . 14 1 1 A 64 64 LEU C C 64 176.428 176.763 -0.335 1
1 717 . 14 1 1 A 64 64 LEU CA C 64 52.211 54.025 -1.814 1
1 718 . 14 1 1 A 64 64 LEU CB C 64 37.239 39.625 -2.386 1
1 722 . 14 1 1 A 64 64 LEU N N 64 130.005 125.152 4.853 1
1 723 . 14 1 1 A 65 65 ALA H H 65 7.369 8.240 -0.871 1
1 724 . 14 1 1 A 65 65 ALA HA H 65 4.052 4.133 -0.081 1
1 728 . 14 1 1 A 65 65 ALA C C 65 176.322 177.595 -1.273 1
1 729 . 14 1 1 A 65 65 ALA CA C 65 53.207 54.396 -1.189 1
1 730 . 14 1 1 A 65 65 ALA CB C 65 20.170 19.029 1.141 1
1 731 . 14 1 1 A 65 65 ALA N N 65 124.744 126.761 -2.017 1
1 732 . 14 1 1 A 66 66 ASP H H 66 7.472 7.630 -0.158 1
1 733 . 14 1 1 A 66 66 ASP HA H 66 4.857 4.654 0.203 1
1 736 . 14 1 1 A 66 66 ASP C C 66 175.635 175.677 -0.042 1
1 737 . 14 1 1 A 66 66 ASP CA C 66 52.192 53.290 -1.098 1
1 738 . 14 1 1 A 66 66 ASP CB C 66 41.603 39.476 2.127 1
1 739 . 14 1 1 A 66 66 ASP N N 66 117.457 118.258 -0.801 1
1 740 . 14 1 1 A 67 67 ASP H H 67 8.541 8.855 -0.314 1
1 741 . 14 1 1 A 67 67 ASP HA H 67 4.209 4.310 -0.101 1
1 744 . 14 1 1 A 67 67 ASP C C 67 176.292 177.234 -0.942 1
1 745 . 14 1 1 A 67 67 ASP CA C 67 56.925 56.884 0.041 1
1 746 . 14 1 1 A 67 67 ASP CB C 67 40.835 40.521 0.314 1
1 747 . 14 1 1 A 67 67 ASP N N 67 124.544 126.245 -1.701 1
1 748 . 14 1 1 A 68 68 TYR H H 68 7.701 7.539 0.162 1
1 749 . 14 1 1 A 68 68 TYR HA H 68 4.589 4.495 0.094 1
1 756 . 14 1 1 A 68 68 TYR C C 68 175.742 176.163 -0.421 1
1 757 . 14 1 1 A 68 68 TYR CA C 68 56.622 58.170 -1.548 1
1 758 . 14 1 1 A 68 68 TYR CB C 68 37.607 38.468 -0.861 1
1 761 . 14 1 1 A 68 68 TYR N N 68 112.752 116.563 -3.811 1
1 762 . 14 1 1 A 69 69 ARG H H 69 7.182 7.192 -0.010 1
1 763 . 14 1 1 A 69 69 ARG HA H 69 4.245 4.425 -0.180 1
1 771 . 14 1 1 A 69 69 ARG C C 69 175.443 175.338 0.105 1
1 772 . 14 1 1 A 69 69 ARG CA C 69 56.056 55.452 0.604 1
1 773 . 14 1 1 A 69 69 ARG CB C 69 31.536 31.266 0.270 1
1 776 . 14 1 1 A 69 69 ARG N N 69 122.155 122.438 -0.283 1
1 778 . 14 1 1 A 70 70 ASN H H 70 8.749 8.491 0.258 1
1 779 . 14 1 1 A 70 70 ASN HA H 70 5.068 4.945 0.123 1
1 784 . 14 1 1 A 70 70 ASN C C 70 177.349 176.007 1.342 1
1 785 . 14 1 1 A 70 70 ASN CA C 70 52.528 52.785 -0.257 1
1 786 . 14 1 1 A 70 70 ASN CB C 70 39.856 40.459 -0.603 1
1 787 . 14 1 1 A 70 70 ASN N N 70 120.300 119.689 0.611 1
1 789 . 14 1 1 A 71 71 LEU H H 71 8.603 8.692 -0.089 1
1 790 . 14 1 1 A 71 71 LEU HA H 71 3.943 4.085 -0.142 1
1 800 . 14 1 1 A 71 71 LEU C C 71 179.470 179.043 0.427 1
1 801 . 14 1 1 A 71 71 LEU CA C 71 58.074 57.942 0.132 1
1 802 . 14 1 1 A 71 71 LEU CB C 71 39.446 41.569 -2.123 1
1 806 . 14 1 1 A 71 71 LEU N N 71 118.872 125.867 -6.995 1
1 807 . 14 1 1 A 72 72 ASN H H 72 8.561 8.260 0.301 1
1 808 . 14 1 1 A 72 72 ASN HA H 72 4.394 4.880 -0.486 1
1 813 . 14 1 1 A 72 72 ASN C C 72 178.592 177.399 1.193 1
1 814 . 14 1 1 A 72 72 ASN CA C 72 56.065 55.761 0.304 1
1 815 . 14 1 1 A 72 72 ASN CB C 72 37.663 37.319 0.344 1
1 816 . 14 1 1 A 72 72 ASN N N 72 115.744 116.560 -0.816 1
1 818 . 14 1 1 A 73 73 GLU H H 73 7.979 8.077 -0.098 1
1 819 . 14 1 1 A 73 73 GLU HA H 73 4.041 3.942 0.099 1
1 824 . 14 1 1 A 73 73 GLU C C 73 177.778 177.729 0.049 1
1 825 . 14 1 1 A 73 73 GLU CA C 73 58.680 58.961 -0.281 1
1 826 . 14 1 1 A 73 73 GLU CB C 73 29.114 29.192 -0.078 1
1 828 . 14 1 1 A 73 73 GLU N N 73 121.014 119.923 1.091 1
1 829 . 14 1 1 A 74 74 TYR H H 74 7.500 7.476 0.024 1
1 830 . 14 1 1 A 74 74 TYR HA H 74 4.567 4.618 -0.051 1
1 837 . 14 1 1 A 74 74 TYR C C 74 175.592 175.910 -0.318 1
1 838 . 14 1 1 A 74 74 TYR CA C 74 58.790 58.087 0.703 1
1 839 . 14 1 1 A 74 74 TYR CB C 74 39.440 38.543 0.897 1
1 842 . 14 1 1 A 74 74 TYR N N 74 115.573 116.592 -1.019 1
1 843 . 14 1 1 A 75 75 GLY H H 75 7.702 8.105 -0.403 1
1 844 . 14 1 1 A 75 75 GLY HA2 H 75 4.274 4.112 0.162 1
1 845 . 14 1 1 A 75 75 GLY HA3 H 75 3.749 4.241 -0.492 1
1 846 . 14 1 1 A 75 75 GLY C C 75 174.007 174.532 -0.525 1
1 847 . 14 1 1 A 75 75 GLY CA C 75 45.133 45.065 0.068 1
1 848 . 14 1 1 A 75 75 GLY N N 75 105.620 107.029 -1.409 1
1 849 . 14 1 1 A 76 76 ILE H H 76 6.628 7.301 -0.673 1
1 850 . 14 1 1 A 76 76 ILE HA H 76 3.170 3.895 -0.725 1
1 860 . 14 1 1 A 76 76 ILE C C 76 174.607 175.608 -1.001 1
1 861 . 14 1 1 A 76 76 ILE CA C 76 62.037 61.805 0.232 1
1 862 . 14 1 1 A 76 76 ILE CB C 76 36.805 37.339 -0.534 1
1 866 . 14 1 1 A 76 76 ILE N N 76 120.041 122.439 -2.398 1
1 867 . 14 1 1 A 77 77 THR H H 77 8.437 8.523 -0.086 1
1 868 . 14 1 1 A 77 77 THR HA H 77 4.420 4.527 -0.107 1
1 873 . 14 1 1 A 77 77 THR C C 77 172.893 173.644 -0.751 1
1 874 . 14 1 1 A 77 77 THR CA C 77 58.687 63.095 -4.408 1
1 875 . 14 1 1 A 77 77 THR CB C 77 70.917 71.999 -1.082 1
1 877 . 14 1 1 A 77 77 THR N N 77 121.014 121.990 -0.976 1
1 878 . 14 1 1 A 78 78 GLU H H 78 8.235 7.426 0.809 1
1 879 . 14 1 1 A 78 78 GLU HA H 78 4.088 4.526 -0.438 1
1 884 . 14 1 1 A 78 78 GLU C C 78 177.242 175.522 1.720 1
1 885 . 14 1 1 A 78 78 GLU CA C 78 58.254 56.361 1.893 1
1 886 . 14 1 1 A 78 78 GLU CB C 78 29.336 33.095 -3.759 1
1 888 . 14 1 1 A 78 78 GLU N N 78 121.643 119.484 2.159 1
1 889 . 14 1 1 A 79 79 PHE H H 79 9.152 8.445 0.707 1
1 890 . 14 1 1 A 79 79 PHE HA H 79 4.363 4.164 0.199 1
1 895 . 14 1 1 A 79 79 PHE C C 79 176.385 174.770 1.615 1
1 896 . 14 1 1 A 79 79 PHE CA C 79 59.552 59.112 0.440 1
1 897 . 14 1 1 A 79 79 PHE CB C 79 36.282 35.859 0.423 1
1 899 . 14 1 1 A 79 79 PHE N N 79 118.909 121.487 -2.578 1
1 900 . 14 1 1 A 80 80 SER H H 80 8.341 7.833 0.508 1
1 901 . 14 1 1 A 80 80 SER HA H 80 4.576 4.555 0.021 1
1 904 . 14 1 1 A 80 80 SER C C 80 171.629 174.257 -2.628 1
1 905 . 14 1 1 A 80 80 SER CA C 80 61.398 60.551 0.847 1
1 906 . 14 1 1 A 80 80 SER CB C 80 64.796 64.062 0.734 1
1 907 . 14 1 1 A 80 80 SER N N 80 118.396 115.979 2.417 1
1 908 . 14 1 1 A 81 81 GLU H H 81 8.692 8.662 0.030 1
1 909 . 14 1 1 A 81 81 GLU HA H 81 5.115 5.017 0.098 1
1 914 . 14 1 1 A 81 81 GLU C C 81 174.993 175.637 -0.644 1
1 915 . 14 1 1 A 81 81 GLU CA C 81 54.749 56.034 -1.285 1
1 916 . 14 1 1 A 81 81 GLU CB C 81 31.666 30.954 0.712 1
1 918 . 14 1 1 A 81 81 GLU N N 81 122.155 125.318 -3.163 1
1 919 . 14 1 1 A 82 82 ILE H H 82 9.335 9.741 -0.406 1
1 920 . 14 1 1 A 82 82 ILE HA H 82 4.796 4.698 0.098 1
1 930 . 14 1 1 A 82 82 ILE C C 82 174.350 174.911 -0.561 1
1 931 . 14 1 1 A 82 82 ILE CA C 82 58.543 59.633 -1.090 1
1 932 . 14 1 1 A 82 82 ILE CB C 82 39.050 39.005 0.045 1
1 936 . 14 1 1 A 82 82 ILE N N 82 127.389 125.444 1.945 1
1 937 . 14 1 1 A 83 83 VAL H H 83 9.136 9.318 -0.182 1
1 938 . 14 1 1 A 83 83 VAL HA H 83 4.359 4.306 0.053 1
1 946 . 14 1 1 A 83 83 VAL C C 83 174.971 175.262 -0.291 1
1 947 . 14 1 1 A 83 83 VAL CA C 83 61.756 62.308 -0.552 1
1 948 . 14 1 1 A 83 83 VAL CB C 83 33.537 32.015 1.522 1
1 951 . 14 1 1 A 83 83 VAL N N 83 128.322 128.454 -0.132 1
1 952 . 14 1 1 A 84 84 VAL H H 84 8.019 9.218 -1.199 1
1 953 . 14 1 1 A 84 84 VAL HA H 84 4.524 4.600 -0.076 1
1 961 . 14 1 1 A 84 84 VAL C C 84 175.090 175.073 0.017 1
1 962 . 14 1 1 A 84 84 VAL CA C 84 61.268 61.196 0.072 1
1 963 . 14 1 1 A 84 84 VAL CB C 84 32.543 31.289 1.254 1
1 966 . 14 1 1 A 84 84 VAL N N 84 125.746 128.248 -2.502 1
1 967 . 14 1 1 A 85 85 PHE H H 85 9.165 9.052 0.113 1
1 968 . 14 1 1 A 85 85 PHE HA H 85 4.795 4.992 -0.197 1
1 976 . 14 1 1 A 85 85 PHE C C 85 174.414 175.092 -0.678 1
1 977 . 14 1 1 A 85 85 PHE CA C 85 55.636 57.093 -1.457 1
1 978 . 14 1 1 A 85 85 PHE CB C 85 41.618 40.748 0.870 1
1 982 . 14 1 1 A 85 85 PHE N N 85 126.921 126.765 0.156 1
1 983 . 14 1 1 A 86 86 LEU H H 86 8.314 8.991 -0.677 1
1 984 . 14 1 1 A 86 86 LEU HA H 86 5.103 4.721 0.382 1
1 994 . 14 1 1 A 86 86 LEU C C 86 177.221 176.262 0.959 1
1 995 . 14 1 1 A 86 86 LEU CA C 86 52.667 54.230 -1.563 1
1 996 . 14 1 1 A 86 86 LEU CB C 86 42.493 41.837 0.656 1
1 1000 . 14 1 1 A 86 86 LEU N N 86 122.166 125.481 -3.315 1
1 1001 . 14 1 1 A 87 87 LYS H H 87 9.006 9.475 -0.469 1
1 1002 . 14 1 1 A 87 87 LYS HA H 87 4.276 4.840 -0.564 1
1 1011 . 14 1 1 A 87 87 LYS C C 87 176.685 175.736 0.949 1
1 1012 . 14 1 1 A 87 87 LYS CA C 87 56.069 55.283 0.786 1
1 1013 . 14 1 1 A 87 87 LYS CB C 87 33.751 33.444 0.307 1
1 1017 . 14 1 1 A 87 87 LYS N N 87 124.552 125.517 -0.965 1
1 1018 . 14 1 1 A 88 88 SER H H 88 8.640 9.324 -0.684 1
1 1019 . 14 1 1 A 88 88 SER HA H 88 4.461 4.595 -0.134 1
1 1022 . 14 1 1 A 88 88 SER C C 88 174.671 175.230 -0.559 1
1 1023 . 14 1 1 A 88 88 SER CA C 88 58.244 57.673 0.571 1
1 1024 . 14 1 1 A 88 88 SER CB C 88 63.518 60.835 2.683 1
1 1025 . 14 1 1 A 88 88 SER N N 88 118.741 122.913 -4.172 1
1 1026 . 14 1 1 A 89 89 ILE H H 89 8.401 8.196 0.205 1
1 1027 . 14 1 1 A 89 89 ILE HA H 89 4.173 3.875 0.298 1
1 1037 . 14 1 1 A 89 89 ILE C C 89 175.828 176.277 -0.449 1
1 1038 . 14 1 1 A 89 89 ILE CA C 89 61.240 63.599 -2.359 1
1 1039 . 14 1 1 A 89 89 ILE CB C 89 38.930 37.885 1.045 1
1 1043 . 14 1 1 A 89 89 ILE N N 89 122.196 120.039 2.157 1
1 1044 . 14 1 1 A 90 90 ASN H H 90 8.479 7.937 0.542 1
1 1045 . 14 1 1 A 90 90 ASN HA H 90 4.709 4.946 -0.237 1
1 1050 . 14 1 1 A 90 90 ASN C C 90 174.971 175.103 -0.132 1
1 1051 . 14 1 1 A 90 90 ASN CA C 90 52.863 52.358 0.505 1
1 1052 . 14 1 1 A 90 90 ASN CB C 90 38.726 39.743 -1.017 1
1 1053 . 14 1 1 A 90 90 ASN N N 90 122.645 119.476 3.169 1
1 1055 . 14 1 1 A 91 91 ARG H H 91 8.340 8.688 -0.348 1
1 1056 . 14 1 1 A 91 91 ARG HA H 91 4.321 4.020 0.301 1
1 1063 . 14 1 1 A 91 91 ARG C C 91 175.850 177.130 -1.280 1
1 1064 . 14 1 1 A 91 91 ARG CA C 91 55.708 58.844 -3.136 1
1 1065 . 14 1 1 A 91 91 ARG CB C 91 30.704 30.286 0.418 1
1 1068 . 14 1 1 A 91 91 ARG N N 91 122.190 126.984 -4.794 1
1 1069 . 14 1 1 A 92 92 ALA H H 92 8.310 7.388 0.922 1
1 1070 . 14 1 1 A 92 92 ALA HA H 92 4.292 4.300 -0.008 1
1 1074 . 14 1 1 A 92 92 ALA C C 92 177.456 176.762 0.694 1
1 1075 . 14 1 1 A 92 92 ALA CA C 92 52.524 52.716 -0.192 1
1 1076 . 14 1 1 A 92 92 ALA CB C 92 19.254 19.854 -0.600 1
1 1077 . 14 1 1 A 92 92 ALA N N 92 125.492 121.295 4.197 1
1 1078 . 14 1 1 A 93 93 LYS H H 93 8.189 9.042 -0.853 1
1 1079 . 14 1 1 A 93 93 LYS HA H 93 4.318 4.506 -0.188 1
1 1088 . 14 1 1 A 93 93 LYS C C 93 175.357 175.624 -0.267 1
1 1089 . 14 1 1 A 93 93 LYS CA C 93 56.059 57.818 -1.759 1
1 1090 . 14 1 1 A 93 93 LYS CB C 93 33.101 34.885 -1.784 1
1 1094 . 14 1 1 A 93 93 LYS N N 93 120.307 121.148 -0.841 1
1 1 . 15 1 1 A 11 11 ALA HA H 11 4.252 4.372 -0.120 1
1 5 . 15 1 1 A 11 11 ALA CA C 11 52.471 51.339 1.132 1
1 6 . 15 1 1 A 11 11 ALA CB C 11 19.020 21.361 -2.341 1
1 7 . 15 1 1 A 12 12 ALA H H 12 8.179 8.554 -0.375 1
1 8 . 15 1 1 A 12 12 ALA HA H 12 4.291 4.546 -0.255 1
1 12 . 15 1 1 A 12 12 ALA C C 12 177.662 177.222 0.440 1
1 13 . 15 1 1 A 12 12 ALA CA C 12 52.444 52.287 0.157 1
1 14 . 15 1 1 A 12 12 ALA CB C 12 18.943 19.018 -0.075 1
1 15 . 15 1 1 A 12 12 ALA N N 12 123.114 119.448 3.666 1
1 16 . 15 1 1 A 13 13 VAL H H 13 8.006 7.345 0.661 1
1 17 . 15 1 1 A 13 13 VAL HA H 13 4.100 4.056 0.044 1
1 25 . 15 1 1 A 13 13 VAL C C 13 175.990 174.727 1.263 1
1 26 . 15 1 1 A 13 13 VAL CA C 13 62.182 62.710 -0.528 1
1 27 . 15 1 1 A 13 13 VAL CB C 13 32.442 31.934 0.508 1
1 29 . 15 1 1 A 13 13 VAL N N 13 119.213 119.606 -0.393 1
1 30 . 15 1 1 A 14 14 ARG H H 14 8.329 8.764 -0.435 1
1 31 . 15 1 1 A 14 14 ARG HA H 14 4.344 4.946 -0.602 1
1 38 . 15 1 1 A 14 14 ARG C C 14 175.844 175.108 0.736 1
1 39 . 15 1 1 A 14 14 ARG CA C 14 56.071 53.870 2.201 1
1 40 . 15 1 1 A 14 14 ARG CB C 14 31.099 33.857 -2.758 1
1 43 . 15 1 1 A 14 14 ARG N N 14 125.039 128.455 -3.416 1
1 44 . 15 1 1 A 15 15 LYS H H 15 8.147 8.314 -0.167 1
1 45 . 15 1 1 A 15 15 LYS HA H 15 4.552 4.495 0.057 1
1 54 . 15 1 1 A 15 15 LYS C C 15 176.186 176.782 -0.596 1
1 55 . 15 1 1 A 15 15 LYS CA C 15 55.632 55.904 -0.272 1
1 56 . 15 1 1 A 15 15 LYS CB C 15 33.543 33.569 -0.026 1
1 60 . 15 1 1 A 15 15 LYS N N 15 121.711 121.388 0.323 1
1 61 . 15 1 1 A 16 16 ILE H H 16 8.764 9.100 -0.336 1
1 62 . 15 1 1 A 16 16 ILE HA H 16 4.508 4.684 -0.176 1
1 72 . 15 1 1 A 16 16 ILE C C 16 174.333 174.619 -0.286 1
1 73 . 15 1 1 A 16 16 ILE CA C 16 59.343 59.637 -0.294 1
1 74 . 15 1 1 A 16 16 ILE CB C 16 41.575 39.617 1.958 1
1 78 . 15 1 1 A 16 16 ILE N N 16 116.484 118.877 -2.393 1
1 79 . 15 1 1 A 17 17 HIS H H 17 8.659 8.695 -0.036 1
1 80 . 15 1 1 A 17 17 HIS HA H 17 5.130 4.937 0.193 1
1 85 . 15 1 1 A 17 17 HIS C C 17 174.788 175.102 -0.314 1
1 86 . 15 1 1 A 17 17 HIS CA C 17 55.562 54.619 0.943 1
1 87 . 15 1 1 A 17 17 HIS CB C 17 30.047 29.123 0.924 1
1 90 . 15 1 1 A 17 17 HIS N N 17 119.826 122.822 -2.996 1
1 93 . 15 1 1 A 18 18 VAL H H 18 8.788 8.431 0.357 1
1 94 . 15 1 1 A 18 18 VAL HA H 18 4.681 4.694 -0.013 1
1 102 . 15 1 1 A 18 18 VAL C C 18 174.631 174.830 -0.199 1
1 103 . 15 1 1 A 18 18 VAL CA C 18 59.568 60.981 -1.413 1
1 104 . 15 1 1 A 18 18 VAL CB C 18 34.191 33.230 0.961 1
1 107 . 15 1 1 A 18 18 VAL N N 18 117.203 120.233 -3.030 1
1 108 . 15 1 1 A 19 19 THR H H 19 8.746 9.166 -0.420 1
1 109 . 15 1 1 A 19 19 THR HA H 19 4.603 4.836 -0.233 1
1 114 . 15 1 1 A 19 19 THR C C 19 172.422 173.804 -1.382 1
1 115 . 15 1 1 A 19 19 THR CA C 19 62.159 62.136 0.023 1
1 116 . 15 1 1 A 19 19 THR CB C 19 69.640 69.472 0.168 1
1 118 . 15 1 1 A 19 19 THR N N 19 121.216 120.553 0.663 1
1 119 . 15 1 1 A 20 20 VAL H H 20 9.268 9.265 0.003 1
1 120 . 15 1 1 A 20 20 VAL HA H 20 4.426 4.361 0.065 1
1 128 . 15 1 1 A 20 20 VAL C C 20 174.013 174.904 -0.891 1
1 129 . 15 1 1 A 20 20 VAL CA C 20 61.312 61.735 -0.423 1
1 130 . 15 1 1 A 20 20 VAL CB C 20 31.567 31.864 -0.297 1
1 133 . 15 1 1 A 20 20 VAL N N 20 128.437 127.850 0.587 1
1 134 . 15 1 1 A 21 21 LYS H H 21 9.147 9.156 -0.009 1
1 135 . 15 1 1 A 21 21 LYS HA H 21 4.759 4.683 0.076 1
1 144 . 15 1 1 A 21 21 LYS C C 21 175.935 175.631 0.304 1
1 145 . 15 1 1 A 21 21 LYS CA C 21 55.384 55.394 -0.010 1
1 146 . 15 1 1 A 21 21 LYS CB C 21 34.197 32.888 1.309 1
1 150 . 15 1 1 A 21 21 LYS N N 21 126.951 127.767 -0.816 1
1 151 . 15 1 1 A 22 22 PHE H H 22 8.938 8.450 0.488 1
1 152 . 15 1 1 A 22 22 PHE HA H 22 4.846 4.771 0.075 1
1 158 . 15 1 1 A 22 22 PHE C C 22 174.843 175.431 -0.588 1
1 159 . 15 1 1 A 22 22 PHE CA C 22 56.918 55.843 1.075 1
1 160 . 15 1 1 A 22 22 PHE CB C 22 39.021 41.785 -2.764 1
1 163 . 15 1 1 A 22 22 PHE N N 22 127.843 124.622 3.221 1
1 164 . 15 1 1 A 23 23 PRO HA H 23 4.192 4.474 -0.282 1
1 171 . 15 1 1 A 23 23 PRO C C 23 177.813 177.159 0.654 1
1 172 . 15 1 1 A 23 23 PRO CA C 23 66.150 64.854 1.296 1
1 173 . 15 1 1 A 23 23 PRO CB C 23 31.588 31.868 -0.280 1
1 176 . 15 1 1 A 24 24 SER H H 24 8.115 8.431 -0.316 1
1 177 . 15 1 1 A 24 24 SER HA H 24 4.772 4.521 0.251 1
1 180 . 15 1 1 A 24 24 SER C C 24 173.836 174.634 -0.798 1
1 181 . 15 1 1 A 24 24 SER CA C 24 56.928 59.293 -2.365 1
1 182 . 15 1 1 A 24 24 SER CB C 24 64.789 64.183 0.606 1
1 183 . 15 1 1 A 24 24 SER N N 24 106.127 110.467 -4.340 1
1 184 . 15 1 1 A 25 25 LYS H H 25 7.321 7.849 -0.528 1
1 185 . 15 1 1 A 25 25 LYS HA H 25 4.739 4.730 0.009 1
1 194 . 15 1 1 A 25 25 LYS C C 25 172.915 173.956 -1.041 1
1 195 . 15 1 1 A 25 25 LYS CA C 25 55.863 55.114 0.749 1
1 196 . 15 1 1 A 25 25 LYS CB C 25 34.621 34.690 -0.069 1
1 200 . 15 1 1 A 25 25 LYS N N 25 118.386 117.926 0.460 1
1 201 . 15 1 1 A 26 26 GLN H H 26 8.566 8.591 -0.025 1
1 202 . 15 1 1 A 26 26 GLN HA H 26 5.708 5.529 0.179 1
1 209 . 15 1 1 A 26 26 GLN C C 26 174.179 174.531 -0.352 1
1 210 . 15 1 1 A 26 26 GLN CA C 26 53.888 54.258 -0.370 1
1 211 . 15 1 1 A 26 26 GLN CB C 26 32.884 32.642 0.242 1
1 213 . 15 1 1 A 26 26 GLN N N 26 117.444 119.732 -2.288 1
1 215 . 15 1 1 A 27 27 PHE H H 27 8.564 8.327 0.237 1
1 216 . 15 1 1 A 27 27 PHE HA H 27 5.085 5.260 -0.175 1
1 224 . 15 1 1 A 27 27 PHE C C 27 173.234 172.182 1.052 1
1 225 . 15 1 1 A 27 27 PHE CA C 27 55.993 56.142 -0.149 1
1 226 . 15 1 1 A 27 27 PHE CB C 27 40.088 41.847 -1.759 1
1 230 . 15 1 1 A 27 27 PHE N N 27 117.565 121.307 -3.742 1
1 231 . 15 1 1 A 28 28 THR H H 28 8.801 8.759 0.042 1
1 232 . 15 1 1 A 28 28 THR HA H 28 5.419 5.310 0.109 1
1 237 . 15 1 1 A 28 28 THR C C 28 174.650 174.106 0.544 1
1 238 . 15 1 1 A 28 28 THR CA C 28 61.203 61.747 -0.544 1
1 239 . 15 1 1 A 28 28 THR CB C 28 70.508 70.689 -0.181 1
1 241 . 15 1 1 A 28 28 THR N N 28 115.093 116.303 -1.210 1
1 242 . 15 1 1 A 29 29 VAL H H 29 8.983 9.303 -0.320 1
1 243 . 15 1 1 A 29 29 VAL HA H 29 4.549 4.645 -0.096 1
1 251 . 15 1 1 A 29 29 VAL C C 29 173.686 174.737 -1.051 1
1 252 . 15 1 1 A 29 29 VAL CA C 29 60.118 60.852 -0.734 1
1 253 . 15 1 1 A 29 29 VAL CB C 29 35.498 34.553 0.945 1
1 256 . 15 1 1 A 29 29 VAL N N 29 121.743 126.772 -5.029 1
1 257 . 15 1 1 A 30 30 GLU H H 30 8.460 8.732 -0.272 1
1 258 . 15 1 1 A 30 30 GLU HA H 30 4.894 4.718 0.176 1
1 263 . 15 1 1 A 30 30 GLU C C 30 175.807 176.201 -0.394 1
1 264 . 15 1 1 A 30 30 GLU CA C 30 54.922 56.028 -1.106 1
1 265 . 15 1 1 A 30 30 GLU CB C 30 31.123 30.275 0.848 1
1 267 . 15 1 1 A 30 30 GLU N N 30 125.512 127.273 -1.761 1
1 268 . 15 1 1 A 31 31 VAL H H 31 8.917 8.435 0.482 1
1 269 . 15 1 1 A 31 31 VAL HA H 31 4.634 4.839 -0.205 1
1 277 . 15 1 1 A 31 31 VAL C C 31 174.136 174.029 0.107 1
1 278 . 15 1 1 A 31 31 VAL CA C 31 58.299 58.648 -0.349 1
1 279 . 15 1 1 A 31 31 VAL CB C 31 35.067 35.357 -0.290 1
1 282 . 15 1 1 A 31 31 VAL N N 31 118.900 117.508 1.392 1
1 283 . 15 1 1 A 32 32 ASP H H 32 9.032 8.560 0.472 1
1 284 . 15 1 1 A 32 32 ASP HA H 32 4.943 4.491 0.452 1
1 287 . 15 1 1 A 32 32 ASP C C 32 177.992 177.645 0.347 1
1 288 . 15 1 1 A 32 32 ASP CA C 32 53.428 54.344 -0.916 1
1 289 . 15 1 1 A 32 32 ASP CB C 32 42.939 42.772 0.167 1
1 290 . 15 1 1 A 32 32 ASP N N 32 121.708 124.206 -2.498 1
1 291 . 15 1 1 A 33 33 ARG H H 33 8.847 8.777 0.070 1
1 292 . 15 1 1 A 33 33 ARG HA H 33 3.952 4.058 -0.106 1
1 299 . 15 1 1 A 33 33 ARG C C 33 176.257 176.553 -0.296 1
1 300 . 15 1 1 A 33 33 ARG CA C 33 59.113 58.332 0.781 1
1 301 . 15 1 1 A 33 33 ARG CB C 33 30.011 29.841 0.170 1
1 304 . 15 1 1 A 33 33 ARG N N 33 121.873 124.111 -2.238 1
1 305 . 15 1 1 A 34 34 THR H H 34 8.058 7.638 0.420 1
1 306 . 15 1 1 A 34 34 THR HA H 34 4.350 4.395 -0.045 1
1 311 . 15 1 1 A 34 34 THR C C 34 174.371 174.347 0.024 1
1 312 . 15 1 1 A 34 34 THR CA C 34 60.432 61.957 -1.525 1
1 313 . 15 1 1 A 34 34 THR CB C 34 68.739 69.358 -0.619 1
1 315 . 15 1 1 A 34 34 THR N N 34 104.720 109.145 -4.425 1
1 316 . 15 1 1 A 35 35 GLU H H 35 7.473 7.509 -0.036 1
1 317 . 15 1 1 A 35 35 GLU HA H 35 4.239 4.265 -0.026 1
1 322 . 15 1 1 A 35 35 GLU C C 35 176.021 175.941 0.080 1
1 323 . 15 1 1 A 35 35 GLU CA C 35 56.921 56.763 0.158 1
1 324 . 15 1 1 A 35 35 GLU CB C 35 31.086 30.313 0.773 1
1 326 . 15 1 1 A 35 35 GLU N N 35 123.129 123.892 -0.763 1
1 327 . 15 1 1 A 36 36 THR H H 36 8.432 8.595 -0.163 1
1 328 . 15 1 1 A 36 36 THR HA H 36 4.987 4.954 0.033 1
1 333 . 15 1 1 A 36 36 THR C C 36 175.939 176.254 -0.315 1
1 334 . 15 1 1 A 36 36 THR CA C 36 60.249 60.522 -0.273 1
1 335 . 15 1 1 A 36 36 THR CB C 36 71.783 71.355 0.428 1
1 337 . 15 1 1 A 36 36 THR N N 36 112.476 115.955 -3.479 1
1 338 . 15 1 1 A 37 37 VAL H H 37 8.087 8.957 -0.870 1
1 339 . 15 1 1 A 37 37 VAL HA H 37 3.411 3.658 -0.247 1
1 347 . 15 1 1 A 37 37 VAL C C 37 178.249 177.621 0.628 1
1 348 . 15 1 1 A 37 37 VAL CA C 37 67.397 66.653 0.744 1
1 349 . 15 1 1 A 37 37 VAL CB C 37 31.567 31.300 0.267 1
1 352 . 15 1 1 A 37 37 VAL N N 37 121.215 122.755 -1.540 1
1 353 . 15 1 1 A 38 38 SER H H 38 8.863 8.168 0.695 1
1 354 . 15 1 1 A 38 38 SER HA H 38 4.760 4.201 0.559 1
1 357 . 15 1 1 A 38 38 SER C C 38 176.814 177.219 -0.405 1
1 358 . 15 1 1 A 38 38 SER CA C 38 57.746 61.405 -3.659 1
1 359 . 15 1 1 A 38 38 SER CB C 38 62.627 62.202 0.425 1
1 360 . 15 1 1 A 38 38 SER N N 38 112.752 115.111 -2.359 1
1 361 . 15 1 1 A 39 39 SER H H 39 7.999 7.697 0.302 1
1 362 . 15 1 1 A 39 39 SER HA H 39 4.318 4.269 0.049 1
1 365 . 15 1 1 A 39 39 SER C C 39 177.692 176.591 1.101 1
1 366 . 15 1 1 A 39 39 SER CA C 39 61.338 61.905 -0.567 1
1 367 . 15 1 1 A 39 39 SER CB C 39 62.349 63.120 -0.771 1
1 368 . 15 1 1 A 39 39 SER N N 39 117.918 116.806 1.112 1
1 369 . 15 1 1 A 40 40 LEU H H 40 8.227 8.109 0.118 1
1 370 . 15 1 1 A 40 40 LEU HA H 40 4.104 4.059 0.045 1
1 380 . 15 1 1 A 40 40 LEU C C 40 178.420 178.949 -0.529 1
1 381 . 15 1 1 A 40 40 LEU CA C 40 58.235 58.143 0.092 1
1 382 . 15 1 1 A 40 40 LEU CB C 40 40.797 41.871 -1.074 1
1 386 . 15 1 1 A 40 40 LEU N N 40 123.592 123.090 0.502 1
1 387 . 15 1 1 A 41 41 LYS H H 41 8.470 8.206 0.264 1
1 388 . 15 1 1 A 41 41 LYS HA H 41 3.824 3.918 -0.094 1
1 397 . 15 1 1 A 41 41 LYS C C 41 178.476 178.753 -0.277 1
1 398 . 15 1 1 A 41 41 LYS CA C 41 61.313 60.389 0.924 1
1 399 . 15 1 1 A 41 41 LYS CB C 41 32.414 32.060 0.354 1
1 403 . 15 1 1 A 41 41 LYS N N 41 118.401 118.816 -0.415 1
1 404 . 15 1 1 A 42 42 ASP H H 42 7.956 8.156 -0.200 1
1 405 . 15 1 1 A 42 42 ASP HA H 42 4.447 4.347 0.100 1
1 408 . 15 1 1 A 42 42 ASP C C 42 178.806 178.718 0.088 1
1 409 . 15 1 1 A 42 42 ASP CA C 42 57.802 57.584 0.218 1
1 410 . 15 1 1 A 42 42 ASP CB C 42 40.585 41.893 -1.308 1
1 411 . 15 1 1 A 42 42 ASP N N 42 119.295 120.122 -0.827 1
1 412 . 15 1 1 A 43 43 LYS H H 43 8.024 7.863 0.161 1
1 413 . 15 1 1 A 43 43 LYS HA H 43 4.039 4.048 -0.009 1
1 422 . 15 1 1 A 43 43 LYS C C 43 179.941 179.602 0.339 1
1 423 . 15 1 1 A 43 43 LYS CA C 43 60.014 59.278 0.736 1
1 424 . 15 1 1 A 43 43 LYS CB C 43 32.865 32.416 0.449 1
1 428 . 15 1 1 A 43 43 LYS N N 43 119.784 118.328 1.456 1
1 429 . 15 1 1 A 44 44 ILE H H 44 8.480 8.036 0.444 1
1 430 . 15 1 1 A 44 44 ILE HA H 44 3.702 3.827 -0.125 1
1 440 . 15 1 1 A 44 44 ILE C C 44 177.328 178.256 -0.928 1
1 441 . 15 1 1 A 44 44 ILE CA C 44 65.725 65.526 0.199 1
1 442 . 15 1 1 A 44 44 ILE CB C 44 38.110 37.998 0.112 1
1 446 . 15 1 1 A 44 44 ILE N N 44 119.363 121.082 -1.719 1
1 447 . 15 1 1 A 45 45 HIS H H 45 8.635 8.195 0.440 1
1 448 . 15 1 1 A 45 45 HIS HA H 45 4.471 4.169 0.302 1
1 453 . 15 1 1 A 45 45 HIS C C 45 176.407 176.991 -0.584 1
1 454 . 15 1 1 A 45 45 HIS CA C 45 58.451 59.370 -0.919 1
1 455 . 15 1 1 A 45 45 HIS CB C 45 28.055 29.731 -1.676 1
1 458 . 15 1 1 A 45 45 HIS N N 45 118.889 119.538 -0.649 1
1 461 . 15 1 1 A 46 46 ILE H H 46 7.868 7.528 0.340 1
1 462 . 15 1 1 A 46 46 ILE HA H 46 3.571 3.563 0.008 1
1 472 . 15 1 1 A 46 46 ILE C C 46 177.371 178.286 -0.915 1
1 473 . 15 1 1 A 46 46 ILE CA C 46 63.925 63.696 0.229 1
1 474 . 15 1 1 A 46 46 ILE CB C 46 37.704 36.784 0.920 1
1 478 . 15 1 1 A 46 46 ILE N N 46 118.414 119.162 -0.748 1
1 479 . 15 1 1 A 47 47 VAL H H 47 7.223 7.190 0.033 1
1 480 . 15 1 1 A 47 47 VAL HA H 47 3.684 3.530 0.154 1
1 488 . 15 1 1 A 47 47 VAL C C 47 176.706 176.295 0.411 1
1 489 . 15 1 1 A 47 47 VAL CA C 47 64.807 65.300 -0.493 1
1 490 . 15 1 1 A 47 47 VAL CB C 47 32.209 32.061 0.148 1
1 493 . 15 1 1 A 47 47 VAL N N 47 116.982 119.403 -2.421 1
1 494 . 15 1 1 A 48 48 GLU H H 48 8.090 8.070 0.020 1
1 495 . 15 1 1 A 48 48 GLU HA H 48 4.271 4.151 0.120 1
1 500 . 15 1 1 A 48 48 GLU C C 48 176.042 176.463 -0.421 1
1 501 . 15 1 1 A 48 48 GLU CA C 48 55.062 55.588 -0.526 1
1 502 . 15 1 1 A 48 48 GLU CB C 48 31.544 30.580 0.964 1
1 504 . 15 1 1 A 48 48 GLU N N 48 118.849 119.629 -0.780 1
1 505 . 15 1 1 A 49 49 ASN H H 49 8.113 8.626 -0.513 1
1 506 . 15 1 1 A 49 49 ASN HA H 49 4.137 4.544 -0.407 1
1 511 . 15 1 1 A 49 49 ASN C C 49 174.993 175.839 -0.846 1
1 512 . 15 1 1 A 49 49 ASN CA C 49 54.287 54.928 -0.641 1
1 513 . 15 1 1 A 49 49 ASN CB C 49 37.647 39.024 -1.377 1
1 514 . 15 1 1 A 49 49 ASN N N 49 118.695 122.154 -3.459 1
1 516 . 15 1 1 A 50 50 THR H H 50 7.780 7.366 0.414 1
1 517 . 15 1 1 A 50 50 THR HA H 50 4.483 4.448 0.035 1
1 522 . 15 1 1 A 50 50 THR C C 50 173.107 172.819 0.288 1
1 523 . 15 1 1 A 50 50 THR CA C 50 61.094 61.417 -0.323 1
1 524 . 15 1 1 A 50 50 THR CB C 50 70.926 69.594 1.332 1
1 526 . 15 1 1 A 50 50 THR N N 50 118.434 114.638 3.796 1
1 527 . 15 1 1 A 51 51 PRO HA H 51 4.485 4.606 -0.121 1
1 534 . 15 1 1 A 51 51 PRO C C 51 178.067 177.305 0.762 1
1 535 . 15 1 1 A 51 51 PRO CA C 51 63.075 62.550 0.525 1
1 536 . 15 1 1 A 51 51 PRO CB C 51 31.996 32.640 -0.644 1
1 539 . 15 1 1 A 52 52 ILE H H 52 8.530 8.139 0.391 1
1 540 . 15 1 1 A 52 52 ILE HA H 52 3.764 3.879 -0.115 1
1 550 . 15 1 1 A 52 52 ILE C C 52 179.363 177.866 1.497 1
1 551 . 15 1 1 A 52 52 ILE CA C 52 64.855 63.781 1.074 1
1 552 . 15 1 1 A 52 52 ILE CB C 52 38.109 37.290 0.819 1
1 556 . 15 1 1 A 52 52 ILE N N 52 125.501 122.700 2.801 1
1 557 . 15 1 1 A 53 53 LYS H H 53 8.603 7.956 0.647 1
1 558 . 15 1 1 A 53 53 LYS HA H 53 4.180 4.183 -0.003 1
1 567 . 15 1 1 A 53 53 LYS C C 53 177.113 177.335 -0.222 1
1 568 . 15 1 1 A 53 53 LYS CA C 53 57.816 59.114 -1.298 1
1 569 . 15 1 1 A 53 53 LYS CB C 53 31.992 32.289 -0.297 1
1 573 . 15 1 1 A 53 53 LYS N N 53 117.464 120.754 -3.290 1
1 574 . 15 1 1 A 54 54 ARG H H 54 7.479 7.402 0.077 1
1 575 . 15 1 1 A 54 54 ARG HA H 54 4.361 4.451 -0.090 1
1 582 . 15 1 1 A 54 54 ARG C C 54 175.507 176.072 -0.565 1
1 583 . 15 1 1 A 54 54 ARG CA C 54 56.051 56.327 -0.276 1
1 584 . 15 1 1 A 54 54 ARG CB C 54 31.559 32.145 -0.586 1
1 587 . 15 1 1 A 54 54 ARG N N 54 114.601 116.777 -2.176 1
1 588 . 15 1 1 A 55 55 MET H H 55 7.479 7.315 0.164 1
1 589 . 15 1 1 A 55 55 MET HA H 55 4.435 4.831 -0.396 1
1 597 . 15 1 1 A 55 55 MET C C 55 175.276 175.370 -0.094 1
1 598 . 15 1 1 A 55 55 MET CA C 55 57.365 53.835 3.530 1
1 599 . 15 1 1 A 55 55 MET CB C 55 35.142 34.349 0.793 1
1 602 . 15 1 1 A 55 55 MET N N 55 116.986 117.239 -0.253 1
1 603 . 15 1 1 A 56 56 GLN H H 56 8.958 8.933 0.025 1
1 604 . 15 1 1 A 56 56 GLN HA H 56 4.502 4.866 -0.364 1
1 611 . 15 1 1 A 56 56 GLN C C 56 173.429 174.468 -1.039 1
1 612 . 15 1 1 A 56 56 GLN CA C 56 54.982 54.385 0.597 1
1 613 . 15 1 1 A 56 56 GLN CB C 56 32.420 31.832 0.588 1
1 615 . 15 1 1 A 56 56 GLN N N 56 124.094 122.121 1.973 1
1 617 . 15 1 1 A 57 57 LEU H H 57 8.603 8.717 -0.114 1
1 618 . 15 1 1 A 57 57 LEU HA H 57 5.190 5.132 0.058 1
1 628 . 15 1 1 A 57 57 LEU C C 57 175.421 175.640 -0.219 1
1 629 . 15 1 1 A 57 57 LEU CA C 57 53.437 53.685 -0.248 1
1 630 . 15 1 1 A 57 57 LEU CB C 57 44.367 43.305 1.062 1
1 634 . 15 1 1 A 57 57 LEU N N 57 124.534 123.246 1.288 1
1 635 . 15 1 1 A 58 58 TYR H H 58 9.319 9.185 0.134 1
1 636 . 15 1 1 A 58 58 TYR HA H 58 5.145 5.080 0.065 1
1 643 . 15 1 1 A 58 58 TYR C C 58 174.821 174.202 0.619 1
1 644 . 15 1 1 A 58 58 TYR CA C 58 56.503 56.569 -0.066 1
1 645 . 15 1 1 A 58 58 TYR CB C 58 43.323 41.681 1.642 1
1 648 . 15 1 1 A 58 58 TYR N N 58 119.746 122.730 -2.984 1
1 649 . 15 1 1 A 59 59 TYR H H 59 8.993 9.515 -0.522 1
1 650 . 15 1 1 A 59 59 TYR HA H 59 5.173 4.912 0.261 1
1 657 . 15 1 1 A 59 59 TYR C C 59 174.980 175.045 -0.065 1
1 658 . 15 1 1 A 59 59 TYR CA C 59 55.625 57.635 -2.010 1
1 659 . 15 1 1 A 59 59 TYR CB C 59 41.981 40.794 1.187 1
1 662 . 15 1 1 A 59 59 TYR N N 59 120.286 125.465 -5.179 1
1 663 . 15 1 1 A 60 60 SER H H 60 9.320 9.231 0.089 1
1 664 . 15 1 1 A 60 60 SER HA H 60 3.668 4.070 -0.402 1
1 667 . 15 1 1 A 60 60 SER C C 60 174.893 174.392 0.501 1
1 668 . 15 1 1 A 60 60 SER CA C 60 57.815 59.105 -1.290 1
1 669 . 15 1 1 A 60 60 SER CB C 60 62.602 61.431 1.171 1
1 670 . 15 1 1 A 60 60 SER N N 60 125.263 123.067 2.196 1
1 671 . 15 1 1 A 61 61 GLY H H 61 8.649 8.367 0.282 1
1 672 . 15 1 1 A 61 61 GLY HA2 H 61 4.035 3.912 0.123 1
1 673 . 15 1 1 A 61 61 GLY HA3 H 61 3.409 3.951 -0.542 1
1 674 . 15 1 1 A 61 61 GLY C C 61 173.346 174.216 -0.870 1
1 675 . 15 1 1 A 61 61 GLY CA C 61 44.726 45.010 -0.284 1
1 676 . 15 1 1 A 62 62 ILE H H 62 8.128 7.671 0.457 1
1 677 . 15 1 1 A 62 62 ILE HA H 62 4.304 4.097 0.207 1
1 687 . 15 1 1 A 62 62 ILE C C 62 174.950 175.476 -0.526 1
1 688 . 15 1 1 A 62 62 ILE CA C 62 59.396 60.662 -1.266 1
1 689 . 15 1 1 A 62 62 ILE CB C 62 39.110 37.188 1.922 1
1 693 . 15 1 1 A 62 62 ILE N N 62 123.077 121.907 1.170 1
1 694 . 15 1 1 A 63 63 GLU H H 63 8.697 8.576 0.121 1
1 695 . 15 1 1 A 63 63 GLU HA H 63 3.534 4.022 -0.488 1
1 700 . 15 1 1 A 63 63 GLU C C 63 177.156 176.071 1.085 1
1 701 . 15 1 1 A 63 63 GLU CA C 63 55.231 56.522 -1.291 1
1 702 . 15 1 1 A 63 63 GLU CB C 63 29.804 29.971 -0.167 1
1 704 . 15 1 1 A 63 63 GLU N N 63 127.682 128.228 -0.546 1
1 705 . 15 1 1 A 64 64 LEU H H 64 8.791 8.315 0.476 1
1 706 . 15 1 1 A 64 64 LEU HA H 64 3.954 4.108 -0.154 1
1 716 . 15 1 1 A 64 64 LEU C C 64 176.428 176.866 -0.438 1
1 717 . 15 1 1 A 64 64 LEU CA C 64 52.211 54.239 -2.028 1
1 718 . 15 1 1 A 64 64 LEU CB C 64 37.239 40.303 -3.064 1
1 722 . 15 1 1 A 64 64 LEU N N 64 130.005 125.013 4.992 1
1 723 . 15 1 1 A 65 65 ALA H H 65 7.369 8.282 -0.913 1
1 724 . 15 1 1 A 65 65 ALA HA H 65 4.052 4.246 -0.194 1
1 728 . 15 1 1 A 65 65 ALA C C 65 176.322 177.264 -0.942 1
1 729 . 15 1 1 A 65 65 ALA CA C 65 53.207 53.739 -0.532 1
1 730 . 15 1 1 A 65 65 ALA CB C 65 20.170 19.475 0.695 1
1 731 . 15 1 1 A 65 65 ALA N N 65 124.744 128.232 -3.488 1
1 732 . 15 1 1 A 66 66 ASP H H 66 7.472 7.673 -0.201 1
1 733 . 15 1 1 A 66 66 ASP HA H 66 4.857 4.798 0.059 1
1 736 . 15 1 1 A 66 66 ASP C C 66 175.635 175.754 -0.119 1
1 737 . 15 1 1 A 66 66 ASP CA C 66 52.192 53.068 -0.876 1
1 738 . 15 1 1 A 66 66 ASP CB C 66 41.603 40.719 0.884 1
1 739 . 15 1 1 A 66 66 ASP N N 66 117.457 118.440 -0.983 1
1 740 . 15 1 1 A 67 67 ASP H H 67 8.541 8.948 -0.407 1
1 741 . 15 1 1 A 67 67 ASP HA H 67 4.209 4.271 -0.062 1
1 744 . 15 1 1 A 67 67 ASP C C 67 176.292 177.185 -0.893 1
1 745 . 15 1 1 A 67 67 ASP CA C 67 56.925 57.193 -0.268 1
1 746 . 15 1 1 A 67 67 ASP CB C 67 40.835 40.433 0.402 1
1 747 . 15 1 1 A 67 67 ASP N N 67 124.544 126.637 -2.093 1
1 748 . 15 1 1 A 68 68 TYR H H 68 7.701 7.572 0.129 1
1 749 . 15 1 1 A 68 68 TYR HA H 68 4.589 4.487 0.102 1
1 756 . 15 1 1 A 68 68 TYR C C 68 175.742 176.126 -0.384 1
1 757 . 15 1 1 A 68 68 TYR CA C 68 56.622 58.091 -1.469 1
1 758 . 15 1 1 A 68 68 TYR CB C 68 37.607 38.518 -0.911 1
1 761 . 15 1 1 A 68 68 TYR N N 68 112.752 116.217 -3.465 1
1 762 . 15 1 1 A 69 69 ARG H H 69 7.182 7.078 0.104 1
1 763 . 15 1 1 A 69 69 ARG HA H 69 4.245 4.363 -0.118 1
1 771 . 15 1 1 A 69 69 ARG C C 69 175.443 175.658 -0.215 1
1 772 . 15 1 1 A 69 69 ARG CA C 69 56.056 55.474 0.582 1
1 773 . 15 1 1 A 69 69 ARG CB C 69 31.536 30.955 0.581 1
1 776 . 15 1 1 A 69 69 ARG N N 69 122.155 122.663 -0.508 1
1 778 . 15 1 1 A 70 70 ASN H H 70 8.749 8.919 -0.170 1
1 779 . 15 1 1 A 70 70 ASN HA H 70 5.068 5.056 0.012 1
1 784 . 15 1 1 A 70 70 ASN C C 70 177.349 177.206 0.143 1
1 785 . 15 1 1 A 70 70 ASN CA C 70 52.528 52.824 -0.296 1
1 786 . 15 1 1 A 70 70 ASN CB C 70 39.856 39.083 0.773 1
1 787 . 15 1 1 A 70 70 ASN N N 70 120.300 120.441 -0.141 1
1 789 . 15 1 1 A 71 71 LEU H H 71 8.603 9.282 -0.679 1
1 790 . 15 1 1 A 71 71 LEU HA H 71 3.943 4.103 -0.160 1
1 800 . 15 1 1 A 71 71 LEU C C 71 179.470 178.968 0.502 1
1 801 . 15 1 1 A 71 71 LEU CA C 71 58.074 57.859 0.215 1
1 802 . 15 1 1 A 71 71 LEU CB C 71 39.446 41.328 -1.882 1
1 806 . 15 1 1 A 71 71 LEU N N 71 118.872 124.049 -5.177 1
1 807 . 15 1 1 A 72 72 ASN H H 72 8.561 8.012 0.549 1
1 808 . 15 1 1 A 72 72 ASN HA H 72 4.394 4.419 -0.025 1
1 813 . 15 1 1 A 72 72 ASN C C 72 178.592 177.566 1.026 1
1 814 . 15 1 1 A 72 72 ASN CA C 72 56.065 56.643 -0.578 1
1 815 . 15 1 1 A 72 72 ASN CB C 72 37.663 39.777 -2.114 1
1 816 . 15 1 1 A 72 72 ASN N N 72 115.744 118.232 -2.488 1
1 818 . 15 1 1 A 73 73 GLU H H 73 7.979 7.807 0.172 1
1 819 . 15 1 1 A 73 73 GLU HA H 73 4.041 3.921 0.120 1
1 824 . 15 1 1 A 73 73 GLU C C 73 177.778 179.036 -1.258 1
1 825 . 15 1 1 A 73 73 GLU CA C 73 58.680 59.029 -0.349 1
1 826 . 15 1 1 A 73 73 GLU CB C 73 29.114 29.074 0.040 1
1 828 . 15 1 1 A 73 73 GLU N N 73 121.014 118.864 2.150 1
1 829 . 15 1 1 A 74 74 TYR H H 74 7.500 7.138 0.362 1
1 830 . 15 1 1 A 74 74 TYR HA H 74 4.567 4.515 0.052 1
1 837 . 15 1 1 A 74 74 TYR C C 74 175.592 176.212 -0.620 1
1 838 . 15 1 1 A 74 74 TYR CA C 74 58.790 58.420 0.370 1
1 839 . 15 1 1 A 74 74 TYR CB C 74 39.440 38.780 0.660 1
1 842 . 15 1 1 A 74 74 TYR N N 74 115.573 117.548 -1.975 1
1 843 . 15 1 1 A 75 75 GLY H H 75 7.702 7.886 -0.184 1
1 844 . 15 1 1 A 75 75 GLY HA2 H 75 4.274 3.961 0.313 1
1 845 . 15 1 1 A 75 75 GLY HA3 H 75 3.749 4.009 -0.260 1
1 846 . 15 1 1 A 75 75 GLY C C 75 174.007 174.778 -0.771 1
1 847 . 15 1 1 A 75 75 GLY CA C 75 45.133 46.120 -0.987 1
1 848 . 15 1 1 A 75 75 GLY N N 75 105.620 107.758 -2.138 1
1 849 . 15 1 1 A 76 76 ILE H H 76 6.628 8.269 -1.641 1
1 850 . 15 1 1 A 76 76 ILE HA H 76 3.170 3.740 -0.570 1
1 860 . 15 1 1 A 76 76 ILE C C 76 174.607 174.820 -0.213 1
1 861 . 15 1 1 A 76 76 ILE CA C 76 62.037 61.340 0.697 1
1 862 . 15 1 1 A 76 76 ILE CB C 76 36.805 37.285 -0.480 1
1 866 . 15 1 1 A 76 76 ILE N N 76 120.041 121.981 -1.940 1
1 867 . 15 1 1 A 77 77 THR H H 77 8.437 8.694 -0.257 1
1 868 . 15 1 1 A 77 77 THR HA H 77 4.420 4.708 -0.288 1
1 873 . 15 1 1 A 77 77 THR C C 77 172.893 173.317 -0.424 1
1 874 . 15 1 1 A 77 77 THR CA C 77 58.687 59.459 -0.772 1
1 875 . 15 1 1 A 77 77 THR CB C 77 70.917 71.322 -0.405 1
1 877 . 15 1 1 A 77 77 THR N N 77 121.014 122.700 -1.686 1
1 878 . 15 1 1 A 78 78 GLU H H 78 8.235 8.656 -0.421 1
1 879 . 15 1 1 A 78 78 GLU HA H 78 4.088 4.040 0.048 1
1 884 . 15 1 1 A 78 78 GLU C C 78 177.242 177.341 -0.099 1
1 885 . 15 1 1 A 78 78 GLU CA C 78 58.254 57.327 0.927 1
1 886 . 15 1 1 A 78 78 GLU CB C 78 29.336 30.105 -0.769 1
1 888 . 15 1 1 A 78 78 GLU N N 78 121.643 124.214 -2.571 1
1 889 . 15 1 1 A 79 79 PHE H H 79 9.152 8.654 0.498 1
1 890 . 15 1 1 A 79 79 PHE HA H 79 4.363 4.049 0.314 1
1 895 . 15 1 1 A 79 79 PHE C C 79 176.385 174.576 1.809 1
1 896 . 15 1 1 A 79 79 PHE CA C 79 59.552 59.266 0.286 1
1 897 . 15 1 1 A 79 79 PHE CB C 79 36.282 35.967 0.315 1
1 899 . 15 1 1 A 79 79 PHE N N 79 118.909 119.448 -0.539 1
1 900 . 15 1 1 A 80 80 SER H H 80 8.341 8.010 0.331 1
1 901 . 15 1 1 A 80 80 SER HA H 80 4.576 4.718 -0.142 1
1 904 . 15 1 1 A 80 80 SER C C 80 171.629 173.638 -2.009 1
1 905 . 15 1 1 A 80 80 SER CA C 80 61.398 58.400 2.998 1
1 906 . 15 1 1 A 80 80 SER CB C 80 64.796 64.185 0.611 1
1 907 . 15 1 1 A 80 80 SER N N 80 118.396 114.082 4.314 1
1 908 . 15 1 1 A 81 81 GLU H H 81 8.692 8.619 0.073 1
1 909 . 15 1 1 A 81 81 GLU HA H 81 5.115 4.771 0.344 1
1 914 . 15 1 1 A 81 81 GLU C C 81 174.993 175.102 -0.109 1
1 915 . 15 1 1 A 81 81 GLU CA C 81 54.749 55.456 -0.707 1
1 916 . 15 1 1 A 81 81 GLU CB C 81 31.666 30.671 0.995 1
1 918 . 15 1 1 A 81 81 GLU N N 81 122.155 124.982 -2.827 1
1 919 . 15 1 1 A 82 82 ILE H H 82 9.335 9.080 0.255 1
1 920 . 15 1 1 A 82 82 ILE HA H 82 4.796 4.555 0.241 1
1 930 . 15 1 1 A 82 82 ILE C C 82 174.350 175.370 -1.020 1
1 931 . 15 1 1 A 82 82 ILE CA C 82 58.543 59.876 -1.333 1
1 932 . 15 1 1 A 82 82 ILE CB C 82 39.050 37.660 1.390 1
1 936 . 15 1 1 A 82 82 ILE N N 82 127.389 128.312 -0.923 1
1 937 . 15 1 1 A 83 83 VAL H H 83 9.136 9.065 0.071 1
1 938 . 15 1 1 A 83 83 VAL HA H 83 4.359 4.299 0.060 1
1 946 . 15 1 1 A 83 83 VAL C C 83 174.971 175.197 -0.226 1
1 947 . 15 1 1 A 83 83 VAL CA C 83 61.756 62.071 -0.315 1
1 948 . 15 1 1 A 83 83 VAL CB C 83 33.537 31.798 1.739 1
1 951 . 15 1 1 A 83 83 VAL N N 83 128.322 128.275 0.047 1
1 952 . 15 1 1 A 84 84 VAL H H 84 8.019 8.796 -0.777 1
1 953 . 15 1 1 A 84 84 VAL HA H 84 4.524 4.769 -0.245 1
1 961 . 15 1 1 A 84 84 VAL C C 84 175.090 174.778 0.312 1
1 962 . 15 1 1 A 84 84 VAL CA C 84 61.268 60.839 0.429 1
1 963 . 15 1 1 A 84 84 VAL CB C 84 32.543 32.037 0.506 1
1 966 . 15 1 1 A 84 84 VAL N N 84 125.746 128.272 -2.526 1
1 967 . 15 1 1 A 85 85 PHE H H 85 9.165 8.784 0.381 1
1 968 . 15 1 1 A 85 85 PHE HA H 85 4.795 4.967 -0.172 1
1 976 . 15 1 1 A 85 85 PHE C C 85 174.414 175.118 -0.704 1
1 977 . 15 1 1 A 85 85 PHE CA C 85 55.636 57.059 -1.423 1
1 978 . 15 1 1 A 85 85 PHE CB C 85 41.618 40.786 0.832 1
1 982 . 15 1 1 A 85 85 PHE N N 85 126.921 126.406 0.515 1
1 983 . 15 1 1 A 86 86 LEU H H 86 8.314 8.934 -0.620 1
1 984 . 15 1 1 A 86 86 LEU HA H 86 5.103 4.803 0.300 1
1 994 . 15 1 1 A 86 86 LEU C C 86 177.221 176.221 1.000 1
1 995 . 15 1 1 A 86 86 LEU CA C 86 52.667 53.994 -1.327 1
1 996 . 15 1 1 A 86 86 LEU CB C 86 42.493 41.465 1.028 1
1 1000 . 15 1 1 A 86 86 LEU N N 86 122.166 125.530 -3.364 1
1 1001 . 15 1 1 A 87 87 LYS H H 87 9.006 9.379 -0.373 1
1 1002 . 15 1 1 A 87 87 LYS HA H 87 4.276 4.724 -0.448 1
1 1011 . 15 1 1 A 87 87 LYS C C 87 176.685 175.591 1.094 1
1 1012 . 15 1 1 A 87 87 LYS CA C 87 56.069 55.149 0.920 1
1 1013 . 15 1 1 A 87 87 LYS CB C 87 33.751 32.802 0.949 1
1 1017 . 15 1 1 A 87 87 LYS N N 87 124.552 125.783 -1.231 1
1 1018 . 15 1 1 A 88 88 SER H H 88 8.640 8.576 0.064 1
1 1019 . 15 1 1 A 88 88 SER HA H 88 4.461 4.637 -0.176 1
1 1022 . 15 1 1 A 88 88 SER C C 88 174.671 174.208 0.463 1
1 1023 . 15 1 1 A 88 88 SER CA C 88 58.244 59.306 -1.062 1
1 1024 . 15 1 1 A 88 88 SER CB C 88 63.518 62.949 0.569 1
1 1025 . 15 1 1 A 88 88 SER N N 88 118.741 121.824 -3.083 1
1 1026 . 15 1 1 A 89 89 ILE H H 89 8.401 8.265 0.136 1
1 1027 . 15 1 1 A 89 89 ILE HA H 89 4.173 4.962 -0.789 1
1 1037 . 15 1 1 A 89 89 ILE C C 89 175.828 175.217 0.611 1
1 1038 . 15 1 1 A 89 89 ILE CA C 89 61.240 59.594 1.646 1
1 1039 . 15 1 1 A 89 89 ILE CB C 89 38.930 39.866 -0.936 1
1 1043 . 15 1 1 A 89 89 ILE N N 89 122.196 122.088 0.108 1
1 1044 . 15 1 1 A 90 90 ASN H H 90 8.479 8.881 -0.402 1
1 1045 . 15 1 1 A 90 90 ASN HA H 90 4.709 5.147 -0.438 1
1 1050 . 15 1 1 A 90 90 ASN C C 90 174.971 174.492 0.479 1
1 1051 . 15 1 1 A 90 90 ASN CA C 90 52.863 52.221 0.642 1
1 1052 . 15 1 1 A 90 90 ASN CB C 90 38.726 39.348 -0.622 1
1 1053 . 15 1 1 A 90 90 ASN N N 90 122.645 125.052 -2.407 1
1 1055 . 15 1 1 A 91 91 ARG H H 91 8.340 8.745 -0.405 1
1 1056 . 15 1 1 A 91 91 ARG HA H 91 4.321 4.590 -0.269 1
1 1063 . 15 1 1 A 91 91 ARG C C 91 175.850 175.266 0.584 1
1 1064 . 15 1 1 A 91 91 ARG CA C 91 55.708 55.166 0.542 1
1 1065 . 15 1 1 A 91 91 ARG CB C 91 30.704 31.231 -0.527 1
1 1068 . 15 1 1 A 91 91 ARG N N 91 122.190 125.243 -3.053 1
1 1069 . 15 1 1 A 92 92 ALA H H 92 8.310 8.388 -0.078 1
1 1070 . 15 1 1 A 92 92 ALA HA H 92 4.292 3.988 0.304 1
1 1074 . 15 1 1 A 92 92 ALA C C 92 177.456 175.967 1.489 1
1 1075 . 15 1 1 A 92 92 ALA CA C 92 52.524 52.785 -0.261 1
1 1076 . 15 1 1 A 92 92 ALA CB C 92 19.254 17.824 1.430 1
1 1077 . 15 1 1 A 92 92 ALA N N 92 125.492 127.722 -2.230 1
1 1078 . 15 1 1 A 93 93 LYS H H 93 8.189 8.083 0.106 1
1 1079 . 15 1 1 A 93 93 LYS HA H 93 4.318 4.987 -0.669 1
1 1088 . 15 1 1 A 93 93 LYS C C 93 175.357 174.813 0.544 1
1 1089 . 15 1 1 A 93 93 LYS CA C 93 56.059 54.844 1.215 1
1 1090 . 15 1 1 A 93 93 LYS CB C 93 33.101 34.872 -1.771 1
1 1094 . 15 1 1 A 93 93 LYS N N 93 120.307 121.204 -0.897 1
1 1 . 16 1 1 A 11 11 ALA HA H 11 4.252 4.374 -0.122 1
1 5 . 16 1 1 A 11 11 ALA CA C 11 52.471 51.448 1.023 1
1 6 . 16 1 1 A 11 11 ALA CB C 11 19.020 20.118 -1.098 1
1 7 . 16 1 1 A 12 12 ALA H H 12 8.179 8.515 -0.336 1
1 8 . 16 1 1 A 12 12 ALA HA H 12 4.291 4.498 -0.207 1
1 12 . 16 1 1 A 12 12 ALA C C 12 177.662 177.051 0.611 1
1 13 . 16 1 1 A 12 12 ALA CA C 12 52.444 51.956 0.488 1
1 14 . 16 1 1 A 12 12 ALA CB C 12 18.943 19.394 -0.451 1
1 15 . 16 1 1 A 12 12 ALA N N 12 123.114 123.933 -0.819 1
1 16 . 16 1 1 A 13 13 VAL H H 13 8.006 8.338 -0.332 1
1 17 . 16 1 1 A 13 13 VAL HA H 13 4.100 4.308 -0.208 1
1 25 . 16 1 1 A 13 13 VAL C C 13 175.990 175.376 0.614 1
1 26 . 16 1 1 A 13 13 VAL CA C 13 62.182 61.288 0.894 1
1 27 . 16 1 1 A 13 13 VAL CB C 13 32.442 33.131 -0.689 1
1 29 . 16 1 1 A 13 13 VAL N N 13 119.213 116.977 2.236 1
1 30 . 16 1 1 A 14 14 ARG H H 14 8.329 8.402 -0.073 1
1 31 . 16 1 1 A 14 14 ARG HA H 14 4.344 4.576 -0.232 1
1 38 . 16 1 1 A 14 14 ARG C C 14 175.844 174.863 0.981 1
1 39 . 16 1 1 A 14 14 ARG CA C 14 56.071 55.448 0.623 1
1 40 . 16 1 1 A 14 14 ARG CB C 14 31.099 30.574 0.525 1
1 43 . 16 1 1 A 14 14 ARG N N 14 125.039 121.630 3.409 1
1 44 . 16 1 1 A 15 15 LYS H H 15 8.147 8.603 -0.456 1
1 45 . 16 1 1 A 15 15 LYS HA H 15 4.552 4.626 -0.074 1
1 54 . 16 1 1 A 15 15 LYS C C 15 176.186 176.702 -0.516 1
1 55 . 16 1 1 A 15 15 LYS CA C 15 55.632 56.216 -0.584 1
1 56 . 16 1 1 A 15 15 LYS CB C 15 33.543 32.947 0.596 1
1 60 . 16 1 1 A 15 15 LYS N N 15 121.711 124.154 -2.443 1
1 61 . 16 1 1 A 16 16 ILE H H 16 8.764 8.717 0.047 1
1 62 . 16 1 1 A 16 16 ILE HA H 16 4.508 4.558 -0.050 1
1 72 . 16 1 1 A 16 16 ILE C C 16 174.333 175.241 -0.908 1
1 73 . 16 1 1 A 16 16 ILE CA C 16 59.343 59.619 -0.276 1
1 74 . 16 1 1 A 16 16 ILE CB C 16 41.575 39.237 2.338 1
1 78 . 16 1 1 A 16 16 ILE N N 16 116.484 121.201 -4.717 1
1 79 . 16 1 1 A 17 17 HIS H H 17 8.659 8.487 0.172 1
1 80 . 16 1 1 A 17 17 HIS HA H 17 5.130 4.805 0.325 1
1 85 . 16 1 1 A 17 17 HIS C C 17 174.788 174.972 -0.184 1
1 86 . 16 1 1 A 17 17 HIS CA C 17 55.562 55.146 0.416 1
1 87 . 16 1 1 A 17 17 HIS CB C 17 30.047 28.507 1.540 1
1 90 . 16 1 1 A 17 17 HIS N N 17 119.826 122.621 -2.795 1
1 93 . 16 1 1 A 18 18 VAL H H 18 8.788 8.186 0.602 1
1 94 . 16 1 1 A 18 18 VAL HA H 18 4.681 4.445 0.236 1
1 102 . 16 1 1 A 18 18 VAL C C 18 174.631 175.347 -0.716 1
1 103 . 16 1 1 A 18 18 VAL CA C 18 59.568 61.463 -1.895 1
1 104 . 16 1 1 A 18 18 VAL CB C 18 34.191 32.855 1.336 1
1 107 . 16 1 1 A 18 18 VAL N N 18 117.203 120.701 -3.498 1
1 108 . 16 1 1 A 19 19 THR H H 19 8.746 8.925 -0.179 1
1 109 . 16 1 1 A 19 19 THR HA H 19 4.603 4.781 -0.178 1
1 114 . 16 1 1 A 19 19 THR C C 19 172.422 173.954 -1.532 1
1 115 . 16 1 1 A 19 19 THR CA C 19 62.159 62.141 0.018 1
1 116 . 16 1 1 A 19 19 THR CB C 19 69.640 69.416 0.224 1
1 118 . 16 1 1 A 19 19 THR N N 19 121.216 121.774 -0.558 1
1 119 . 16 1 1 A 20 20 VAL H H 20 9.268 9.057 0.211 1
1 120 . 16 1 1 A 20 20 VAL HA H 20 4.426 4.353 0.073 1
1 128 . 16 1 1 A 20 20 VAL C C 20 174.013 174.986 -0.973 1
1 129 . 16 1 1 A 20 20 VAL CA C 20 61.312 61.829 -0.517 1
1 130 . 16 1 1 A 20 20 VAL CB C 20 31.567 31.683 -0.116 1
1 133 . 16 1 1 A 20 20 VAL N N 20 128.437 128.071 0.366 1
1 134 . 16 1 1 A 21 21 LYS H H 21 9.147 9.032 0.115 1
1 135 . 16 1 1 A 21 21 LYS HA H 21 4.759 4.742 0.017 1
1 144 . 16 1 1 A 21 21 LYS C C 21 175.935 175.090 0.845 1
1 145 . 16 1 1 A 21 21 LYS CA C 21 55.384 55.263 0.121 1
1 146 . 16 1 1 A 21 21 LYS CB C 21 34.197 32.340 1.857 1
1 150 . 16 1 1 A 21 21 LYS N N 21 126.951 127.868 -0.917 1
1 151 . 16 1 1 A 22 22 PHE H H 22 8.938 8.510 0.428 1
1 152 . 16 1 1 A 22 22 PHE HA H 22 4.846 4.718 0.128 1
1 158 . 16 1 1 A 22 22 PHE C C 22 174.843 175.879 -1.036 1
1 159 . 16 1 1 A 22 22 PHE CA C 22 56.918 56.462 0.456 1
1 160 . 16 1 1 A 22 22 PHE CB C 22 39.021 40.188 -1.167 1
1 163 . 16 1 1 A 22 22 PHE N N 22 127.843 124.500 3.343 1
1 164 . 16 1 1 A 23 23 PRO HA H 23 4.192 4.317 -0.125 1
1 171 . 16 1 1 A 23 23 PRO C C 23 177.813 178.653 -0.840 1
1 172 . 16 1 1 A 23 23 PRO CA C 23 66.150 65.132 1.018 1
1 173 . 16 1 1 A 23 23 PRO CB C 23 31.588 31.967 -0.379 1
1 176 . 16 1 1 A 24 24 SER H H 24 8.115 8.689 -0.574 1
1 177 . 16 1 1 A 24 24 SER HA H 24 4.772 4.437 0.335 1
1 180 . 16 1 1 A 24 24 SER C C 24 173.836 175.094 -1.258 1
1 181 . 16 1 1 A 24 24 SER CA C 24 56.928 61.532 -4.604 1
1 182 . 16 1 1 A 24 24 SER CB C 24 64.789 63.481 1.308 1
1 183 . 16 1 1 A 24 24 SER N N 24 106.127 113.537 -7.410 1
1 184 . 16 1 1 A 25 25 LYS H H 25 7.321 7.780 -0.459 1
1 185 . 16 1 1 A 25 25 LYS HA H 25 4.739 4.777 -0.038 1
1 194 . 16 1 1 A 25 25 LYS C C 25 172.915 174.049 -1.134 1
1 195 . 16 1 1 A 25 25 LYS CA C 25 55.863 54.772 1.091 1
1 196 . 16 1 1 A 25 25 LYS CB C 25 34.621 35.673 -1.052 1
1 200 . 16 1 1 A 25 25 LYS N N 25 118.386 114.932 3.454 1
1 201 . 16 1 1 A 26 26 GLN H H 26 8.566 8.813 -0.247 1
1 202 . 16 1 1 A 26 26 GLN HA H 26 5.708 5.206 0.502 1
1 209 . 16 1 1 A 26 26 GLN C C 26 174.179 174.924 -0.745 1
1 210 . 16 1 1 A 26 26 GLN CA C 26 53.888 54.357 -0.469 1
1 211 . 16 1 1 A 26 26 GLN CB C 26 32.884 31.756 1.128 1
1 213 . 16 1 1 A 26 26 GLN N N 26 117.444 120.647 -3.203 1
1 215 . 16 1 1 A 27 27 PHE H H 27 8.564 8.422 0.142 1
1 216 . 16 1 1 A 27 27 PHE HA H 27 5.085 5.417 -0.332 1
1 224 . 16 1 1 A 27 27 PHE C C 27 173.234 172.304 0.930 1
1 225 . 16 1 1 A 27 27 PHE CA C 27 55.993 55.940 0.053 1
1 226 . 16 1 1 A 27 27 PHE CB C 27 40.088 42.142 -2.054 1
1 230 . 16 1 1 A 27 27 PHE N N 27 117.565 122.704 -5.139 1
1 231 . 16 1 1 A 28 28 THR H H 28 8.801 8.771 0.030 1
1 232 . 16 1 1 A 28 28 THR HA H 28 5.419 5.389 0.030 1
1 237 . 16 1 1 A 28 28 THR C C 28 174.650 173.720 0.930 1
1 238 . 16 1 1 A 28 28 THR CA C 28 61.203 61.563 -0.360 1
1 239 . 16 1 1 A 28 28 THR CB C 28 70.508 70.966 -0.458 1
1 241 . 16 1 1 A 28 28 THR N N 28 115.093 115.734 -0.641 1
1 242 . 16 1 1 A 29 29 VAL H H 29 8.983 8.968 0.015 1
1 243 . 16 1 1 A 29 29 VAL HA H 29 4.549 4.870 -0.321 1
1 251 . 16 1 1 A 29 29 VAL C C 29 173.686 174.625 -0.939 1
1 252 . 16 1 1 A 29 29 VAL CA C 29 60.118 60.382 -0.264 1
1 253 . 16 1 1 A 29 29 VAL CB C 29 35.498 35.722 -0.224 1
1 256 . 16 1 1 A 29 29 VAL N N 29 121.743 124.075 -2.332 1
1 257 . 16 1 1 A 30 30 GLU H H 30 8.460 8.711 -0.251 1
1 258 . 16 1 1 A 30 30 GLU HA H 30 4.894 4.842 0.052 1
1 263 . 16 1 1 A 30 30 GLU C C 30 175.807 176.051 -0.244 1
1 264 . 16 1 1 A 30 30 GLU CA C 30 54.922 56.132 -1.210 1
1 265 . 16 1 1 A 30 30 GLU CB C 30 31.123 30.390 0.733 1
1 267 . 16 1 1 A 30 30 GLU N N 30 125.512 126.883 -1.371 1
1 268 . 16 1 1 A 31 31 VAL H H 31 8.917 8.587 0.330 1
1 269 . 16 1 1 A 31 31 VAL HA H 31 4.634 4.796 -0.162 1
1 277 . 16 1 1 A 31 31 VAL C C 31 174.136 174.056 0.080 1
1 278 . 16 1 1 A 31 31 VAL CA C 31 58.299 58.943 -0.644 1
1 279 . 16 1 1 A 31 31 VAL CB C 31 35.067 35.345 -0.278 1
1 282 . 16 1 1 A 31 31 VAL N N 31 118.900 117.596 1.304 1
1 283 . 16 1 1 A 32 32 ASP H H 32 9.032 8.230 0.802 1
1 284 . 16 1 1 A 32 32 ASP HA H 32 4.943 4.532 0.411 1
1 287 . 16 1 1 A 32 32 ASP C C 32 177.992 177.429 0.563 1
1 288 . 16 1 1 A 32 32 ASP CA C 32 53.428 54.299 -0.871 1
1 289 . 16 1 1 A 32 32 ASP CB C 32 42.939 42.865 0.074 1
1 290 . 16 1 1 A 32 32 ASP N N 32 121.708 124.544 -2.836 1
1 291 . 16 1 1 A 33 33 ARG H H 33 8.847 8.781 0.066 1
1 292 . 16 1 1 A 33 33 ARG HA H 33 3.952 4.051 -0.099 1
1 299 . 16 1 1 A 33 33 ARG C C 33 176.257 176.409 -0.152 1
1 300 . 16 1 1 A 33 33 ARG CA C 33 59.113 58.183 0.930 1
1 301 . 16 1 1 A 33 33 ARG CB C 33 30.011 29.771 0.240 1
1 304 . 16 1 1 A 33 33 ARG N N 33 121.873 124.219 -2.346 1
1 305 . 16 1 1 A 34 34 THR H H 34 8.058 7.637 0.421 1
1 306 . 16 1 1 A 34 34 THR HA H 34 4.350 4.419 -0.069 1
1 311 . 16 1 1 A 34 34 THR C C 34 174.371 174.397 -0.026 1
1 312 . 16 1 1 A 34 34 THR CA C 34 60.432 61.800 -1.368 1
1 313 . 16 1 1 A 34 34 THR CB C 34 68.739 69.390 -0.651 1
1 315 . 16 1 1 A 34 34 THR N N 34 104.720 108.480 -3.760 1
1 316 . 16 1 1 A 35 35 GLU H H 35 7.473 7.572 -0.099 1
1 317 . 16 1 1 A 35 35 GLU HA H 35 4.239 4.256 -0.017 1
1 322 . 16 1 1 A 35 35 GLU C C 35 176.021 175.940 0.081 1
1 323 . 16 1 1 A 35 35 GLU CA C 35 56.921 56.639 0.282 1
1 324 . 16 1 1 A 35 35 GLU CB C 35 31.086 30.122 0.964 1
1 326 . 16 1 1 A 35 35 GLU N N 35 123.129 123.892 -0.763 1
1 327 . 16 1 1 A 36 36 THR H H 36 8.432 8.595 -0.163 1
1 328 . 16 1 1 A 36 36 THR HA H 36 4.987 5.070 -0.083 1
1 333 . 16 1 1 A 36 36 THR C C 36 175.939 176.342 -0.403 1
1 334 . 16 1 1 A 36 36 THR CA C 36 60.249 60.511 -0.262 1
1 335 . 16 1 1 A 36 36 THR CB C 36 71.783 71.361 0.422 1
1 337 . 16 1 1 A 36 36 THR N N 36 112.476 115.600 -3.124 1
1 338 . 16 1 1 A 37 37 VAL H H 37 8.087 8.778 -0.691 1
1 339 . 16 1 1 A 37 37 VAL HA H 37 3.411 3.653 -0.242 1
1 347 . 16 1 1 A 37 37 VAL C C 37 178.249 177.665 0.584 1
1 348 . 16 1 1 A 37 37 VAL CA C 37 67.397 66.540 0.857 1
1 349 . 16 1 1 A 37 37 VAL CB C 37 31.567 31.423 0.144 1
1 352 . 16 1 1 A 37 37 VAL N N 37 121.215 122.624 -1.409 1
1 353 . 16 1 1 A 38 38 SER H H 38 8.863 7.844 1.019 1
1 354 . 16 1 1 A 38 38 SER HA H 38 4.760 4.264 0.496 1
1 357 . 16 1 1 A 38 38 SER C C 38 176.814 176.717 0.097 1
1 358 . 16 1 1 A 38 38 SER CA C 38 57.746 61.483 -3.737 1
1 359 . 16 1 1 A 38 38 SER CB C 38 62.627 62.179 0.448 1
1 360 . 16 1 1 A 38 38 SER N N 38 112.752 115.162 -2.410 1
1 361 . 16 1 1 A 39 39 SER H H 39 7.999 7.591 0.408 1
1 362 . 16 1 1 A 39 39 SER HA H 39 4.318 4.286 0.032 1
1 365 . 16 1 1 A 39 39 SER C C 39 177.692 177.127 0.565 1
1 366 . 16 1 1 A 39 39 SER CA C 39 61.338 61.100 0.238 1
1 367 . 16 1 1 A 39 39 SER CB C 39 62.349 63.005 -0.656 1
1 368 . 16 1 1 A 39 39 SER N N 39 117.918 117.224 0.694 1
1 369 . 16 1 1 A 40 40 LEU H H 40 8.227 8.194 0.033 1
1 370 . 16 1 1 A 40 40 LEU HA H 40 4.104 4.079 0.025 1
1 380 . 16 1 1 A 40 40 LEU C C 40 178.420 178.773 -0.353 1
1 381 . 16 1 1 A 40 40 LEU CA C 40 58.235 58.049 0.186 1
1 382 . 16 1 1 A 40 40 LEU CB C 40 40.797 41.877 -1.080 1
1 386 . 16 1 1 A 40 40 LEU N N 40 123.592 123.292 0.300 1
1 387 . 16 1 1 A 41 41 LYS H H 41 8.470 8.202 0.268 1
1 388 . 16 1 1 A 41 41 LYS HA H 41 3.824 4.004 -0.180 1
1 397 . 16 1 1 A 41 41 LYS C C 41 178.476 178.779 -0.303 1
1 398 . 16 1 1 A 41 41 LYS CA C 41 61.313 60.243 1.070 1
1 399 . 16 1 1 A 41 41 LYS CB C 41 32.414 32.093 0.321 1
1 403 . 16 1 1 A 41 41 LYS N N 41 118.401 118.457 -0.056 1
1 404 . 16 1 1 A 42 42 ASP H H 42 7.956 8.272 -0.316 1
1 405 . 16 1 1 A 42 42 ASP HA H 42 4.447 4.328 0.119 1
1 408 . 16 1 1 A 42 42 ASP C C 42 178.806 178.849 -0.043 1
1 409 . 16 1 1 A 42 42 ASP CA C 42 57.802 57.589 0.213 1
1 410 . 16 1 1 A 42 42 ASP CB C 42 40.585 42.029 -1.444 1
1 411 . 16 1 1 A 42 42 ASP N N 42 119.295 119.759 -0.464 1
1 412 . 16 1 1 A 43 43 LYS H H 43 8.024 7.834 0.190 1
1 413 . 16 1 1 A 43 43 LYS HA H 43 4.039 4.130 -0.091 1
1 422 . 16 1 1 A 43 43 LYS C C 43 179.941 179.804 0.137 1
1 423 . 16 1 1 A 43 43 LYS CA C 43 60.014 59.504 0.510 1
1 424 . 16 1 1 A 43 43 LYS CB C 43 32.865 32.240 0.625 1
1 428 . 16 1 1 A 43 43 LYS N N 43 119.784 117.985 1.799 1
1 429 . 16 1 1 A 44 44 ILE H H 44 8.480 8.170 0.310 1
1 430 . 16 1 1 A 44 44 ILE HA H 44 3.702 3.855 -0.153 1
1 440 . 16 1 1 A 44 44 ILE C C 44 177.328 178.395 -1.067 1
1 441 . 16 1 1 A 44 44 ILE CA C 44 65.725 65.293 0.432 1
1 442 . 16 1 1 A 44 44 ILE CB C 44 38.110 37.335 0.775 1
1 446 . 16 1 1 A 44 44 ILE N N 44 119.363 120.459 -1.096 1
1 447 . 16 1 1 A 45 45 HIS H H 45 8.635 8.417 0.218 1
1 448 . 16 1 1 A 45 45 HIS HA H 45 4.471 4.219 0.252 1
1 453 . 16 1 1 A 45 45 HIS C C 45 176.407 177.211 -0.804 1
1 454 . 16 1 1 A 45 45 HIS CA C 45 58.451 59.719 -1.268 1
1 455 . 16 1 1 A 45 45 HIS CB C 45 28.055 29.689 -1.634 1
1 458 . 16 1 1 A 45 45 HIS N N 45 118.889 119.723 -0.834 1
1 461 . 16 1 1 A 46 46 ILE H H 46 7.868 7.604 0.264 1
1 462 . 16 1 1 A 46 46 ILE HA H 46 3.571 3.600 -0.029 1
1 472 . 16 1 1 A 46 46 ILE C C 46 177.371 178.295 -0.924 1
1 473 . 16 1 1 A 46 46 ILE CA C 46 63.925 63.965 -0.040 1
1 474 . 16 1 1 A 46 46 ILE CB C 46 37.704 37.655 0.049 1
1 478 . 16 1 1 A 46 46 ILE N N 46 118.414 119.257 -0.843 1
1 479 . 16 1 1 A 47 47 VAL H H 47 7.223 8.156 -0.933 1
1 480 . 16 1 1 A 47 47 VAL HA H 47 3.684 3.430 0.254 1
1 488 . 16 1 1 A 47 47 VAL C C 47 176.706 176.247 0.459 1
1 489 . 16 1 1 A 47 47 VAL CA C 47 64.807 66.649 -1.842 1
1 490 . 16 1 1 A 47 47 VAL CB C 47 32.209 31.702 0.507 1
1 493 . 16 1 1 A 47 47 VAL N N 47 116.982 119.923 -2.941 1
1 494 . 16 1 1 A 48 48 GLU H H 48 8.090 8.475 -0.385 1
1 495 . 16 1 1 A 48 48 GLU HA H 48 4.271 4.392 -0.121 1
1 500 . 16 1 1 A 48 48 GLU C C 48 176.042 176.233 -0.191 1
1 501 . 16 1 1 A 48 48 GLU CA C 48 55.062 55.078 -0.016 1
1 502 . 16 1 1 A 48 48 GLU CB C 48 31.544 31.332 0.212 1
1 504 . 16 1 1 A 48 48 GLU N N 48 118.849 118.517 0.332 1
1 505 . 16 1 1 A 49 49 ASN H H 49 8.113 8.728 -0.615 1
1 506 . 16 1 1 A 49 49 ASN HA H 49 4.137 4.894 -0.757 1
1 511 . 16 1 1 A 49 49 ASN C C 49 174.993 174.875 0.118 1
1 512 . 16 1 1 A 49 49 ASN CA C 49 54.287 52.092 2.195 1
1 513 . 16 1 1 A 49 49 ASN CB C 49 37.647 39.120 -1.473 1
1 514 . 16 1 1 A 49 49 ASN N N 49 118.695 119.929 -1.234 1
1 516 . 16 1 1 A 50 50 THR H H 50 7.780 7.605 0.175 1
1 517 . 16 1 1 A 50 50 THR HA H 50 4.483 4.712 -0.229 1
1 522 . 16 1 1 A 50 50 THR C C 50 173.107 172.655 0.452 1
1 523 . 16 1 1 A 50 50 THR CA C 50 61.094 59.383 1.711 1
1 524 . 16 1 1 A 50 50 THR CB C 50 70.926 70.127 0.799 1
1 526 . 16 1 1 A 50 50 THR N N 50 118.434 114.836 3.598 1
1 527 . 16 1 1 A 51 51 PRO HA H 51 4.485 4.664 -0.179 1
1 534 . 16 1 1 A 51 51 PRO C C 51 178.067 177.895 0.172 1
1 535 . 16 1 1 A 51 51 PRO CA C 51 63.075 63.032 0.043 1
1 536 . 16 1 1 A 51 51 PRO CB C 51 31.996 32.512 -0.516 1
1 539 . 16 1 1 A 52 52 ILE H H 52 8.530 8.313 0.217 1
1 540 . 16 1 1 A 52 52 ILE HA H 52 3.764 3.820 -0.056 1
1 550 . 16 1 1 A 52 52 ILE C C 52 179.363 178.119 1.244 1
1 551 . 16 1 1 A 52 52 ILE CA C 52 64.855 64.082 0.773 1
1 552 . 16 1 1 A 52 52 ILE CB C 52 38.109 37.798 0.311 1
1 556 . 16 1 1 A 52 52 ILE N N 52 125.501 122.826 2.675 1
1 557 . 16 1 1 A 53 53 LYS H H 53 8.603 8.084 0.519 1
1 558 . 16 1 1 A 53 53 LYS HA H 53 4.180 4.212 -0.032 1
1 567 . 16 1 1 A 53 53 LYS C C 53 177.113 177.463 -0.350 1
1 568 . 16 1 1 A 53 53 LYS CA C 53 57.816 57.837 -0.021 1
1 569 . 16 1 1 A 53 53 LYS CB C 53 31.992 32.167 -0.175 1
1 573 . 16 1 1 A 53 53 LYS N N 53 117.464 120.251 -2.787 1
1 574 . 16 1 1 A 54 54 ARG H H 54 7.479 7.524 -0.045 1
1 575 . 16 1 1 A 54 54 ARG HA H 54 4.361 4.361 0.000 1
1 582 . 16 1 1 A 54 54 ARG C C 54 175.507 176.219 -0.712 1
1 583 . 16 1 1 A 54 54 ARG CA C 54 56.051 57.079 -1.028 1
1 584 . 16 1 1 A 54 54 ARG CB C 54 31.559 31.166 0.393 1
1 587 . 16 1 1 A 54 54 ARG N N 54 114.601 116.762 -2.161 1
1 588 . 16 1 1 A 55 55 MET H H 55 7.479 7.376 0.103 1
1 589 . 16 1 1 A 55 55 MET HA H 55 4.435 4.843 -0.408 1
1 597 . 16 1 1 A 55 55 MET C C 55 175.276 175.594 -0.318 1
1 598 . 16 1 1 A 55 55 MET CA C 55 57.365 53.723 3.642 1
1 599 . 16 1 1 A 55 55 MET CB C 55 35.142 33.918 1.224 1
1 602 . 16 1 1 A 55 55 MET N N 55 116.986 117.085 -0.099 1
1 603 . 16 1 1 A 56 56 GLN H H 56 8.958 9.264 -0.306 1
1 604 . 16 1 1 A 56 56 GLN HA H 56 4.502 4.911 -0.409 1
1 611 . 16 1 1 A 56 56 GLN C C 56 173.429 174.358 -0.929 1
1 612 . 16 1 1 A 56 56 GLN CA C 56 54.982 54.494 0.488 1
1 613 . 16 1 1 A 56 56 GLN CB C 56 32.420 31.679 0.741 1
1 615 . 16 1 1 A 56 56 GLN N N 56 124.094 123.160 0.934 1
1 617 . 16 1 1 A 57 57 LEU H H 57 8.603 8.868 -0.265 1
1 618 . 16 1 1 A 57 57 LEU HA H 57 5.190 5.049 0.141 1
1 628 . 16 1 1 A 57 57 LEU C C 57 175.421 175.455 -0.034 1
1 629 . 16 1 1 A 57 57 LEU CA C 57 53.437 53.512 -0.075 1
1 630 . 16 1 1 A 57 57 LEU CB C 57 44.367 43.289 1.078 1
1 634 . 16 1 1 A 57 57 LEU N N 57 124.534 123.541 0.993 1
1 635 . 16 1 1 A 58 58 TYR H H 58 9.319 9.323 -0.004 1
1 636 . 16 1 1 A 58 58 TYR HA H 58 5.145 5.336 -0.191 1
1 643 . 16 1 1 A 58 58 TYR C C 58 174.821 174.399 0.422 1
1 644 . 16 1 1 A 58 58 TYR CA C 58 56.503 56.858 -0.355 1
1 645 . 16 1 1 A 58 58 TYR CB C 58 43.323 42.486 0.837 1
1 648 . 16 1 1 A 58 58 TYR N N 58 119.746 122.207 -2.461 1
1 649 . 16 1 1 A 59 59 TYR H H 59 8.993 9.600 -0.607 1
1 650 . 16 1 1 A 59 59 TYR HA H 59 5.173 4.998 0.175 1
1 657 . 16 1 1 A 59 59 TYR C C 59 174.980 175.098 -0.118 1
1 658 . 16 1 1 A 59 59 TYR CA C 59 55.625 57.411 -1.786 1
1 659 . 16 1 1 A 59 59 TYR CB C 59 41.981 41.311 0.670 1
1 662 . 16 1 1 A 59 59 TYR N N 59 120.286 124.361 -4.075 1
1 663 . 16 1 1 A 60 60 SER H H 60 9.320 9.139 0.181 1
1 664 . 16 1 1 A 60 60 SER HA H 60 3.668 4.072 -0.404 1
1 667 . 16 1 1 A 60 60 SER C C 60 174.893 174.457 0.436 1
1 668 . 16 1 1 A 60 60 SER CA C 60 57.815 59.127 -1.312 1
1 669 . 16 1 1 A 60 60 SER CB C 60 62.602 61.560 1.042 1
1 670 . 16 1 1 A 60 60 SER N N 60 125.263 123.111 2.152 1
1 671 . 16 1 1 A 61 61 GLY H H 61 8.649 8.438 0.211 1
1 672 . 16 1 1 A 61 61 GLY HA2 H 61 4.035 3.861 0.174 1
1 673 . 16 1 1 A 61 61 GLY HA3 H 61 3.409 3.887 -0.478 1
1 674 . 16 1 1 A 61 61 GLY C C 61 173.346 173.992 -0.646 1
1 675 . 16 1 1 A 61 61 GLY CA C 61 44.726 45.064 -0.338 1
1 676 . 16 1 1 A 62 62 ILE H H 62 8.128 7.921 0.207 1
1 677 . 16 1 1 A 62 62 ILE HA H 62 4.304 4.097 0.207 1
1 687 . 16 1 1 A 62 62 ILE C C 62 174.950 175.340 -0.390 1
1 688 . 16 1 1 A 62 62 ILE CA C 62 59.396 60.168 -0.772 1
1 689 . 16 1 1 A 62 62 ILE CB C 62 39.110 36.935 2.175 1
1 693 . 16 1 1 A 62 62 ILE N N 62 123.077 122.964 0.113 1
1 694 . 16 1 1 A 63 63 GLU H H 63 8.697 8.920 -0.223 1
1 695 . 16 1 1 A 63 63 GLU HA H 63 3.534 4.180 -0.646 1
1 700 . 16 1 1 A 63 63 GLU C C 63 177.156 175.469 1.687 1
1 701 . 16 1 1 A 63 63 GLU CA C 63 55.231 56.046 -0.815 1
1 702 . 16 1 1 A 63 63 GLU CB C 63 29.804 30.016 -0.212 1
1 704 . 16 1 1 A 63 63 GLU N N 63 127.682 128.288 -0.606 1
1 705 . 16 1 1 A 64 64 LEU H H 64 8.791 8.697 0.094 1
1 706 . 16 1 1 A 64 64 LEU HA H 64 3.954 4.044 -0.090 1
1 716 . 16 1 1 A 64 64 LEU C C 64 176.428 176.566 -0.138 1
1 717 . 16 1 1 A 64 64 LEU CA C 64 52.211 54.107 -1.896 1
1 718 . 16 1 1 A 64 64 LEU CB C 64 37.239 39.881 -2.642 1
1 722 . 16 1 1 A 64 64 LEU N N 64 130.005 128.603 1.402 1
1 723 . 16 1 1 A 65 65 ALA H H 65 7.369 8.080 -0.711 1
1 724 . 16 1 1 A 65 65 ALA HA H 65 4.052 4.340 -0.288 1
1 728 . 16 1 1 A 65 65 ALA C C 65 176.322 176.990 -0.668 1
1 729 . 16 1 1 A 65 65 ALA CA C 65 53.207 52.274 0.933 1
1 730 . 16 1 1 A 65 65 ALA CB C 65 20.170 19.949 0.221 1
1 731 . 16 1 1 A 65 65 ALA N N 65 124.744 126.587 -1.843 1
1 732 . 16 1 1 A 66 66 ASP H H 66 7.472 7.448 0.024 1
1 733 . 16 1 1 A 66 66 ASP HA H 66 4.857 4.576 0.281 1
1 736 . 16 1 1 A 66 66 ASP C C 66 175.635 175.764 -0.129 1
1 737 . 16 1 1 A 66 66 ASP CA C 66 52.192 53.889 -1.697 1
1 738 . 16 1 1 A 66 66 ASP CB C 66 41.603 40.361 1.242 1
1 739 . 16 1 1 A 66 66 ASP N N 66 117.457 118.181 -0.724 1
1 740 . 16 1 1 A 67 67 ASP H H 67 8.541 8.950 -0.409 1
1 741 . 16 1 1 A 67 67 ASP HA H 67 4.209 4.198 0.011 1
1 744 . 16 1 1 A 67 67 ASP C C 67 176.292 177.493 -1.201 1
1 745 . 16 1 1 A 67 67 ASP CA C 67 56.925 57.383 -0.458 1
1 746 . 16 1 1 A 67 67 ASP CB C 67 40.835 40.784 0.051 1
1 747 . 16 1 1 A 67 67 ASP N N 67 124.544 126.485 -1.941 1
1 748 . 16 1 1 A 68 68 TYR H H 68 7.701 7.611 0.090 1
1 749 . 16 1 1 A 68 68 TYR HA H 68 4.589 4.480 0.109 1
1 756 . 16 1 1 A 68 68 TYR C C 68 175.742 176.141 -0.399 1
1 757 . 16 1 1 A 68 68 TYR CA C 68 56.622 58.540 -1.918 1
1 758 . 16 1 1 A 68 68 TYR CB C 68 37.607 38.091 -0.484 1
1 761 . 16 1 1 A 68 68 TYR N N 68 112.752 117.212 -4.460 1
1 762 . 16 1 1 A 69 69 ARG H H 69 7.182 7.213 -0.031 1
1 763 . 16 1 1 A 69 69 ARG HA H 69 4.245 4.353 -0.108 1
1 771 . 16 1 1 A 69 69 ARG C C 69 175.443 175.551 -0.108 1
1 772 . 16 1 1 A 69 69 ARG CA C 69 56.056 55.541 0.515 1
1 773 . 16 1 1 A 69 69 ARG CB C 69 31.536 30.883 0.653 1
1 776 . 16 1 1 A 69 69 ARG N N 69 122.155 122.970 -0.815 1
1 778 . 16 1 1 A 70 70 ASN H H 70 8.749 9.138 -0.389 1
1 779 . 16 1 1 A 70 70 ASN HA H 70 5.068 5.224 -0.156 1
1 784 . 16 1 1 A 70 70 ASN C C 70 177.349 176.747 0.602 1
1 785 . 16 1 1 A 70 70 ASN CA C 70 52.528 52.136 0.392 1
1 786 . 16 1 1 A 70 70 ASN CB C 70 39.856 39.763 0.093 1
1 787 . 16 1 1 A 70 70 ASN N N 70 120.300 120.860 -0.560 1
1 789 . 16 1 1 A 71 71 LEU H H 71 8.603 9.079 -0.476 1
1 790 . 16 1 1 A 71 71 LEU HA H 71 3.943 4.106 -0.163 1
1 800 . 16 1 1 A 71 71 LEU C C 71 179.470 178.723 0.747 1
1 801 . 16 1 1 A 71 71 LEU CA C 71 58.074 58.267 -0.193 1
1 802 . 16 1 1 A 71 71 LEU CB C 71 39.446 41.495 -2.049 1
1 806 . 16 1 1 A 71 71 LEU N N 71 118.872 124.007 -5.135 1
1 807 . 16 1 1 A 72 72 ASN H H 72 8.561 8.651 -0.090 1
1 808 . 16 1 1 A 72 72 ASN HA H 72 4.394 4.534 -0.140 1
1 813 . 16 1 1 A 72 72 ASN C C 72 178.592 176.812 1.780 1
1 814 . 16 1 1 A 72 72 ASN CA C 72 56.065 55.629 0.436 1
1 815 . 16 1 1 A 72 72 ASN CB C 72 37.663 37.366 0.297 1
1 816 . 16 1 1 A 72 72 ASN N N 72 115.744 116.322 -0.578 1
1 818 . 16 1 1 A 73 73 GLU H H 73 7.979 7.830 0.149 1
1 819 . 16 1 1 A 73 73 GLU HA H 73 4.041 4.050 -0.009 1
1 824 . 16 1 1 A 73 73 GLU C C 73 177.778 177.339 0.439 1
1 825 . 16 1 1 A 73 73 GLU CA C 73 58.680 58.569 0.111 1
1 826 . 16 1 1 A 73 73 GLU CB C 73 29.114 29.381 -0.267 1
1 828 . 16 1 1 A 73 73 GLU N N 73 121.014 119.333 1.681 1
1 829 . 16 1 1 A 74 74 TYR H H 74 7.500 7.493 0.007 1
1 830 . 16 1 1 A 74 74 TYR HA H 74 4.567 4.592 -0.025 1
1 837 . 16 1 1 A 74 74 TYR C C 74 175.592 175.831 -0.239 1
1 838 . 16 1 1 A 74 74 TYR CA C 74 58.790 58.064 0.726 1
1 839 . 16 1 1 A 74 74 TYR CB C 74 39.440 38.522 0.918 1
1 842 . 16 1 1 A 74 74 TYR N N 74 115.573 116.803 -1.230 1
1 843 . 16 1 1 A 75 75 GLY H H 75 7.702 8.140 -0.438 1
1 844 . 16 1 1 A 75 75 GLY HA2 H 75 4.274 4.069 0.205 1
1 845 . 16 1 1 A 75 75 GLY HA3 H 75 3.749 4.157 -0.408 1
1 846 . 16 1 1 A 75 75 GLY C C 75 174.007 174.415 -0.408 1
1 847 . 16 1 1 A 75 75 GLY CA C 75 45.133 45.126 0.007 1
1 848 . 16 1 1 A 75 75 GLY N N 75 105.620 106.766 -1.146 1
1 849 . 16 1 1 A 76 76 ILE H H 76 6.628 7.349 -0.721 1
1 850 . 16 1 1 A 76 76 ILE HA H 76 3.170 3.832 -0.662 1
1 860 . 16 1 1 A 76 76 ILE C C 76 174.607 175.715 -1.108 1
1 861 . 16 1 1 A 76 76 ILE CA C 76 62.037 61.412 0.625 1
1 862 . 16 1 1 A 76 76 ILE CB C 76 36.805 36.791 0.014 1
1 866 . 16 1 1 A 76 76 ILE N N 76 120.041 122.378 -2.337 1
1 867 . 16 1 1 A 77 77 THR H H 77 8.437 8.984 -0.547 1
1 868 . 16 1 1 A 77 77 THR HA H 77 4.420 4.446 -0.026 1
1 873 . 16 1 1 A 77 77 THR C C 77 172.893 173.901 -1.008 1
1 874 . 16 1 1 A 77 77 THR CA C 77 58.687 63.734 -5.047 1
1 875 . 16 1 1 A 77 77 THR CB C 77 70.917 70.424 0.493 1
1 877 . 16 1 1 A 77 77 THR N N 77 121.014 122.973 -1.959 1
1 878 . 16 1 1 A 78 78 GLU H H 78 8.235 7.934 0.301 1
1 879 . 16 1 1 A 78 78 GLU HA H 78 4.088 4.657 -0.569 1
1 884 . 16 1 1 A 78 78 GLU C C 78 177.242 175.180 2.062 1
1 885 . 16 1 1 A 78 78 GLU CA C 78 58.254 56.445 1.809 1
1 886 . 16 1 1 A 78 78 GLU CB C 78 29.336 32.834 -3.498 1
1 888 . 16 1 1 A 78 78 GLU N N 78 121.643 119.700 1.943 1
1 889 . 16 1 1 A 79 79 PHE H H 79 9.152 8.454 0.698 1
1 890 . 16 1 1 A 79 79 PHE HA H 79 4.363 4.144 0.219 1
1 895 . 16 1 1 A 79 79 PHE C C 79 176.385 174.554 1.831 1
1 896 . 16 1 1 A 79 79 PHE CA C 79 59.552 59.114 0.438 1
1 897 . 16 1 1 A 79 79 PHE CB C 79 36.282 35.874 0.408 1
1 899 . 16 1 1 A 79 79 PHE N N 79 118.909 121.178 -2.269 1
1 900 . 16 1 1 A 80 80 SER H H 80 8.341 7.951 0.390 1
1 901 . 16 1 1 A 80 80 SER HA H 80 4.576 4.751 -0.175 1
1 904 . 16 1 1 A 80 80 SER C C 80 171.629 174.581 -2.952 1
1 905 . 16 1 1 A 80 80 SER CA C 80 61.398 58.420 2.978 1
1 906 . 16 1 1 A 80 80 SER CB C 80 64.796 64.091 0.705 1
1 907 . 16 1 1 A 80 80 SER N N 80 118.396 113.969 4.427 1
1 908 . 16 1 1 A 81 81 GLU H H 81 8.692 8.665 0.027 1
1 909 . 16 1 1 A 81 81 GLU HA H 81 5.115 4.824 0.291 1
1 914 . 16 1 1 A 81 81 GLU C C 81 174.993 175.277 -0.284 1
1 915 . 16 1 1 A 81 81 GLU CA C 81 54.749 55.599 -0.850 1
1 916 . 16 1 1 A 81 81 GLU CB C 81 31.666 29.711 1.955 1
1 918 . 16 1 1 A 81 81 GLU N N 81 122.155 125.297 -3.142 1
1 919 . 16 1 1 A 82 82 ILE H H 82 9.335 8.610 0.725 1
1 920 . 16 1 1 A 82 82 ILE HA H 82 4.796 4.496 0.300 1
1 930 . 16 1 1 A 82 82 ILE C C 82 174.350 175.563 -1.213 1
1 931 . 16 1 1 A 82 82 ILE CA C 82 58.543 60.799 -2.256 1
1 932 . 16 1 1 A 82 82 ILE CB C 82 39.050 37.758 1.292 1
1 936 . 16 1 1 A 82 82 ILE N N 82 127.389 126.259 1.130 1
1 937 . 16 1 1 A 83 83 VAL H H 83 9.136 8.988 0.148 1
1 938 . 16 1 1 A 83 83 VAL HA H 83 4.359 4.244 0.115 1
1 946 . 16 1 1 A 83 83 VAL C C 83 174.971 175.493 -0.522 1
1 947 . 16 1 1 A 83 83 VAL CA C 83 61.756 62.498 -0.742 1
1 948 . 16 1 1 A 83 83 VAL CB C 83 33.537 31.979 1.558 1
1 951 . 16 1 1 A 83 83 VAL N N 83 128.322 128.442 -0.120 1
1 952 . 16 1 1 A 84 84 VAL H H 84 8.019 9.041 -1.022 1
1 953 . 16 1 1 A 84 84 VAL HA H 84 4.524 4.928 -0.404 1
1 961 . 16 1 1 A 84 84 VAL C C 84 175.090 174.907 0.183 1
1 962 . 16 1 1 A 84 84 VAL CA C 84 61.268 60.978 0.290 1
1 963 . 16 1 1 A 84 84 VAL CB C 84 32.543 31.591 0.952 1
1 966 . 16 1 1 A 84 84 VAL N N 84 125.746 128.485 -2.739 1
1 967 . 16 1 1 A 85 85 PHE H H 85 9.165 9.058 0.107 1
1 968 . 16 1 1 A 85 85 PHE HA H 85 4.795 4.964 -0.169 1
1 976 . 16 1 1 A 85 85 PHE C C 85 174.414 174.898 -0.484 1
1 977 . 16 1 1 A 85 85 PHE CA C 85 55.636 57.076 -1.440 1
1 978 . 16 1 1 A 85 85 PHE CB C 85 41.618 40.897 0.721 1
1 982 . 16 1 1 A 85 85 PHE N N 85 126.921 126.584 0.337 1
1 983 . 16 1 1 A 86 86 LEU H H 86 8.314 9.123 -0.809 1
1 984 . 16 1 1 A 86 86 LEU HA H 86 5.103 4.924 0.179 1
1 994 . 16 1 1 A 86 86 LEU C C 86 177.221 175.928 1.293 1
1 995 . 16 1 1 A 86 86 LEU CA C 86 52.667 53.571 -0.904 1
1 996 . 16 1 1 A 86 86 LEU CB C 86 42.493 42.687 -0.194 1
1 1000 . 16 1 1 A 86 86 LEU N N 86 122.166 124.290 -2.124 1
1 1001 . 16 1 1 A 87 87 LYS H H 87 9.006 8.742 0.264 1
1 1002 . 16 1 1 A 87 87 LYS HA H 87 4.276 4.648 -0.372 1
1 1011 . 16 1 1 A 87 87 LYS C C 87 176.685 176.349 0.336 1
1 1012 . 16 1 1 A 87 87 LYS CA C 87 56.069 55.698 0.371 1
1 1013 . 16 1 1 A 87 87 LYS CB C 87 33.751 33.080 0.671 1
1 1017 . 16 1 1 A 87 87 LYS N N 87 124.552 124.343 0.209 1
1 1018 . 16 1 1 A 88 88 SER H H 88 8.640 8.777 -0.137 1
1 1019 . 16 1 1 A 88 88 SER HA H 88 4.461 4.022 0.439 1
1 1022 . 16 1 1 A 88 88 SER C C 88 174.671 173.306 1.365 1
1 1023 . 16 1 1 A 88 88 SER CA C 88 58.244 58.997 -0.753 1
1 1024 . 16 1 1 A 88 88 SER CB C 88 63.518 61.424 2.094 1
1 1025 . 16 1 1 A 88 88 SER N N 88 118.741 115.396 3.345 1
1 1026 . 16 1 1 A 89 89 ILE H H 89 8.401 7.823 0.578 1
1 1027 . 16 1 1 A 89 89 ILE HA H 89 4.173 4.425 -0.252 1
1 1037 . 16 1 1 A 89 89 ILE C C 89 175.828 174.913 0.915 1
1 1038 . 16 1 1 A 89 89 ILE CA C 89 61.240 60.062 1.178 1
1 1039 . 16 1 1 A 89 89 ILE CB C 89 38.930 38.634 0.296 1
1 1043 . 16 1 1 A 89 89 ILE N N 89 122.196 116.881 5.315 1
1 1044 . 16 1 1 A 90 90 ASN H H 90 8.479 8.805 -0.326 1
1 1045 . 16 1 1 A 90 90 ASN HA H 90 4.709 5.430 -0.721 1
1 1050 . 16 1 1 A 90 90 ASN C C 90 174.971 174.261 0.710 1
1 1051 . 16 1 1 A 90 90 ASN CA C 90 52.863 51.715 1.148 1
1 1052 . 16 1 1 A 90 90 ASN CB C 90 38.726 42.686 -3.960 1
1 1053 . 16 1 1 A 90 90 ASN N N 90 122.645 123.827 -1.182 1
1 1055 . 16 1 1 A 91 91 ARG H H 91 8.340 8.503 -0.163 1
1 1056 . 16 1 1 A 91 91 ARG HA H 91 4.321 4.307 0.014 1
1 1063 . 16 1 1 A 91 91 ARG C C 91 175.850 176.678 -0.828 1
1 1064 . 16 1 1 A 91 91 ARG CA C 91 55.708 57.113 -1.405 1
1 1065 . 16 1 1 A 91 91 ARG CB C 91 30.704 30.553 0.151 1
1 1068 . 16 1 1 A 91 91 ARG N N 91 122.190 122.442 -0.252 1
1 1069 . 16 1 1 A 92 92 ALA H H 92 8.310 8.356 -0.046 1
1 1070 . 16 1 1 A 92 92 ALA HA H 92 4.292 4.748 -0.456 1
1 1074 . 16 1 1 A 92 92 ALA C C 92 177.456 178.181 -0.725 1
1 1075 . 16 1 1 A 92 92 ALA CA C 92 52.524 50.606 1.918 1
1 1076 . 16 1 1 A 92 92 ALA CB C 92 19.254 19.541 -0.287 1
1 1077 . 16 1 1 A 92 92 ALA N N 92 125.492 126.859 -1.367 1
1 1078 . 16 1 1 A 93 93 LYS H H 93 8.189 7.744 0.445 1
1 1079 . 16 1 1 A 93 93 LYS HA H 93 4.318 3.978 0.340 1
1 1088 . 16 1 1 A 93 93 LYS C C 93 175.357 175.853 -0.496 1
1 1089 . 16 1 1 A 93 93 LYS CA C 93 56.059 59.076 -3.017 1
1 1090 . 16 1 1 A 93 93 LYS CB C 93 33.101 33.344 -0.243 1
1 1094 . 16 1 1 A 93 93 LYS N N 93 120.307 119.673 0.634 1
1 1 . 17 1 1 A 11 11 ALA HA H 11 4.252 4.381 -0.129 1
1 5 . 17 1 1 A 11 11 ALA CA C 11 52.471 51.393 1.078 1
1 6 . 17 1 1 A 11 11 ALA CB C 11 19.020 22.154 -3.134 1
1 7 . 17 1 1 A 12 12 ALA H H 12 8.179 8.795 -0.616 1
1 8 . 17 1 1 A 12 12 ALA HA H 12 4.291 5.164 -0.873 1
1 12 . 17 1 1 A 12 12 ALA C C 12 177.662 176.621 1.041 1
1 13 . 17 1 1 A 12 12 ALA CA C 12 52.444 50.028 2.416 1
1 14 . 17 1 1 A 12 12 ALA CB C 12 18.943 21.649 -2.706 1
1 15 . 17 1 1 A 12 12 ALA N N 12 123.114 121.505 1.609 1
1 16 . 17 1 1 A 13 13 VAL H H 13 8.006 8.566 -0.560 1
1 17 . 17 1 1 A 13 13 VAL HA H 13 4.100 4.181 -0.081 1
1 25 . 17 1 1 A 13 13 VAL C C 13 175.990 175.457 0.533 1
1 26 . 17 1 1 A 13 13 VAL CA C 13 62.182 61.499 0.683 1
1 27 . 17 1 1 A 13 13 VAL CB C 13 32.442 33.094 -0.652 1
1 29 . 17 1 1 A 13 13 VAL N N 13 119.213 119.038 0.175 1
1 30 . 17 1 1 A 14 14 ARG H H 14 8.329 8.324 0.005 1
1 31 . 17 1 1 A 14 14 ARG HA H 14 4.344 4.586 -0.242 1
1 38 . 17 1 1 A 14 14 ARG C C 14 175.844 176.128 -0.284 1
1 39 . 17 1 1 A 14 14 ARG CA C 14 56.071 54.615 1.456 1
1 40 . 17 1 1 A 14 14 ARG CB C 14 31.099 32.160 -1.061 1
1 43 . 17 1 1 A 14 14 ARG N N 14 125.039 121.775 3.264 1
1 44 . 17 1 1 A 15 15 LYS H H 15 8.147 8.284 -0.137 1
1 45 . 17 1 1 A 15 15 LYS HA H 15 4.552 4.380 0.172 1
1 54 . 17 1 1 A 15 15 LYS C C 15 176.186 177.202 -1.016 1
1 55 . 17 1 1 A 15 15 LYS CA C 15 55.632 56.556 -0.924 1
1 56 . 17 1 1 A 15 15 LYS CB C 15 33.543 32.751 0.792 1
1 60 . 17 1 1 A 15 15 LYS N N 15 121.711 122.117 -0.406 1
1 61 . 17 1 1 A 16 16 ILE H H 16 8.764 8.432 0.332 1
1 62 . 17 1 1 A 16 16 ILE HA H 16 4.508 4.296 0.212 1
1 72 . 17 1 1 A 16 16 ILE C C 16 174.333 175.506 -1.173 1
1 73 . 17 1 1 A 16 16 ILE CA C 16 59.343 59.942 -0.599 1
1 74 . 17 1 1 A 16 16 ILE CB C 16 41.575 38.898 2.677 1
1 78 . 17 1 1 A 16 16 ILE N N 16 116.484 121.091 -4.607 1
1 79 . 17 1 1 A 17 17 HIS H H 17 8.659 8.410 0.249 1
1 80 . 17 1 1 A 17 17 HIS HA H 17 5.130 4.809 0.321 1
1 85 . 17 1 1 A 17 17 HIS C C 17 174.788 175.036 -0.248 1
1 86 . 17 1 1 A 17 17 HIS CA C 17 55.562 55.212 0.350 1
1 87 . 17 1 1 A 17 17 HIS CB C 17 30.047 28.629 1.418 1
1 90 . 17 1 1 A 17 17 HIS N N 17 119.826 123.140 -3.314 1
1 93 . 17 1 1 A 18 18 VAL H H 18 8.788 8.406 0.382 1
1 94 . 17 1 1 A 18 18 VAL HA H 18 4.681 4.742 -0.061 1
1 102 . 17 1 1 A 18 18 VAL C C 18 174.631 175.335 -0.704 1
1 103 . 17 1 1 A 18 18 VAL CA C 18 59.568 61.129 -1.561 1
1 104 . 17 1 1 A 18 18 VAL CB C 18 34.191 32.947 1.244 1
1 107 . 17 1 1 A 18 18 VAL N N 18 117.203 120.585 -3.382 1
1 108 . 17 1 1 A 19 19 THR H H 19 8.746 9.032 -0.286 1
1 109 . 17 1 1 A 19 19 THR HA H 19 4.603 4.670 -0.067 1
1 114 . 17 1 1 A 19 19 THR C C 19 172.422 174.052 -1.630 1
1 115 . 17 1 1 A 19 19 THR CA C 19 62.159 62.254 -0.095 1
1 116 . 17 1 1 A 19 19 THR CB C 19 69.640 69.228 0.412 1
1 118 . 17 1 1 A 19 19 THR N N 19 121.216 122.591 -1.375 1
1 119 . 17 1 1 A 20 20 VAL H H 20 9.268 8.998 0.270 1
1 120 . 17 1 1 A 20 20 VAL HA H 20 4.426 4.410 0.016 1
1 128 . 17 1 1 A 20 20 VAL C C 20 174.013 174.965 -0.952 1
1 129 . 17 1 1 A 20 20 VAL CA C 20 61.312 61.654 -0.342 1
1 130 . 17 1 1 A 20 20 VAL CB C 20 31.567 31.376 0.191 1
1 133 . 17 1 1 A 20 20 VAL N N 20 128.437 127.691 0.746 1
1 134 . 17 1 1 A 21 21 LYS H H 21 9.147 8.954 0.193 1
1 135 . 17 1 1 A 21 21 LYS HA H 21 4.759 4.762 -0.003 1
1 144 . 17 1 1 A 21 21 LYS C C 21 175.935 174.985 0.950 1
1 145 . 17 1 1 A 21 21 LYS CA C 21 55.384 55.034 0.350 1
1 146 . 17 1 1 A 21 21 LYS CB C 21 34.197 32.881 1.316 1
1 150 . 17 1 1 A 21 21 LYS N N 21 126.951 128.063 -1.112 1
1 151 . 17 1 1 A 22 22 PHE H H 22 8.938 8.977 -0.039 1
1 152 . 17 1 1 A 22 22 PHE HA H 22 4.846 4.679 0.167 1
1 158 . 17 1 1 A 22 22 PHE C C 22 174.843 175.862 -1.019 1
1 159 . 17 1 1 A 22 22 PHE CA C 22 56.918 56.416 0.502 1
1 160 . 17 1 1 A 22 22 PHE CB C 22 39.021 40.241 -1.220 1
1 163 . 17 1 1 A 22 22 PHE N N 22 127.843 124.516 3.327 1
1 164 . 17 1 1 A 23 23 PRO HA H 23 4.192 4.400 -0.208 1
1 171 . 17 1 1 A 23 23 PRO C C 23 177.813 177.525 0.288 1
1 172 . 17 1 1 A 23 23 PRO CA C 23 66.150 65.062 1.088 1
1 173 . 17 1 1 A 23 23 PRO CB C 23 31.588 31.835 -0.247 1
1 176 . 17 1 1 A 24 24 SER H H 24 8.115 8.702 -0.587 1
1 177 . 17 1 1 A 24 24 SER HA H 24 4.772 4.672 0.100 1
1 180 . 17 1 1 A 24 24 SER C C 24 173.836 174.240 -0.404 1
1 181 . 17 1 1 A 24 24 SER CA C 24 56.928 58.910 -1.982 1
1 182 . 17 1 1 A 24 24 SER CB C 24 64.789 64.758 0.031 1
1 183 . 17 1 1 A 24 24 SER N N 24 106.127 112.118 -5.991 1
1 184 . 17 1 1 A 25 25 LYS H H 25 7.321 7.810 -0.489 1
1 185 . 17 1 1 A 25 25 LYS HA H 25 4.739 4.724 0.015 1
1 194 . 17 1 1 A 25 25 LYS C C 25 172.915 174.002 -1.087 1
1 195 . 17 1 1 A 25 25 LYS CA C 25 55.863 55.085 0.778 1
1 196 . 17 1 1 A 25 25 LYS CB C 25 34.621 34.946 -0.325 1
1 200 . 17 1 1 A 25 25 LYS N N 25 118.386 115.481 2.905 1
1 201 . 17 1 1 A 26 26 GLN H H 26 8.566 8.657 -0.091 1
1 202 . 17 1 1 A 26 26 GLN HA H 26 5.708 5.488 0.220 1
1 209 . 17 1 1 A 26 26 GLN C C 26 174.179 174.327 -0.148 1
1 210 . 17 1 1 A 26 26 GLN CA C 26 53.888 54.297 -0.409 1
1 211 . 17 1 1 A 26 26 GLN CB C 26 32.884 32.415 0.469 1
1 213 . 17 1 1 A 26 26 GLN N N 26 117.444 119.611 -2.167 1
1 215 . 17 1 1 A 27 27 PHE H H 27 8.564 8.563 0.001 1
1 216 . 17 1 1 A 27 27 PHE HA H 27 5.085 5.293 -0.208 1
1 224 . 17 1 1 A 27 27 PHE C C 27 173.234 172.288 0.946 1
1 225 . 17 1 1 A 27 27 PHE CA C 27 55.993 56.114 -0.121 1
1 226 . 17 1 1 A 27 27 PHE CB C 27 40.088 41.254 -1.166 1
1 230 . 17 1 1 A 27 27 PHE N N 27 117.565 120.845 -3.280 1
1 231 . 17 1 1 A 28 28 THR H H 28 8.801 8.772 0.029 1
1 232 . 17 1 1 A 28 28 THR HA H 28 5.419 5.237 0.182 1
1 237 . 17 1 1 A 28 28 THR C C 28 174.650 173.752 0.898 1
1 238 . 17 1 1 A 28 28 THR CA C 28 61.203 61.751 -0.548 1
1 239 . 17 1 1 A 28 28 THR CB C 28 70.508 70.867 -0.359 1
1 241 . 17 1 1 A 28 28 THR N N 28 115.093 115.902 -0.809 1
1 242 . 17 1 1 A 29 29 VAL H H 29 8.983 9.185 -0.202 1
1 243 . 17 1 1 A 29 29 VAL HA H 29 4.549 4.811 -0.262 1
1 251 . 17 1 1 A 29 29 VAL C C 29 173.686 174.848 -1.162 1
1 252 . 17 1 1 A 29 29 VAL CA C 29 60.118 60.685 -0.567 1
1 253 . 17 1 1 A 29 29 VAL CB C 29 35.498 35.072 0.426 1
1 256 . 17 1 1 A 29 29 VAL N N 29 121.743 125.673 -3.930 1
1 257 . 17 1 1 A 30 30 GLU H H 30 8.460 8.868 -0.408 1
1 258 . 17 1 1 A 30 30 GLU HA H 30 4.894 4.673 0.221 1
1 263 . 17 1 1 A 30 30 GLU C C 30 175.807 176.117 -0.310 1
1 264 . 17 1 1 A 30 30 GLU CA C 30 54.922 56.005 -1.083 1
1 265 . 17 1 1 A 30 30 GLU CB C 30 31.123 30.306 0.817 1
1 267 . 17 1 1 A 30 30 GLU N N 30 125.512 127.323 -1.811 1
1 268 . 17 1 1 A 31 31 VAL H H 31 8.917 8.491 0.426 1
1 269 . 17 1 1 A 31 31 VAL HA H 31 4.634 4.860 -0.226 1
1 277 . 17 1 1 A 31 31 VAL C C 31 174.136 174.342 -0.206 1
1 278 . 17 1 1 A 31 31 VAL CA C 31 58.299 59.078 -0.779 1
1 279 . 17 1 1 A 31 31 VAL CB C 31 35.067 34.916 0.151 1
1 282 . 17 1 1 A 31 31 VAL N N 31 118.900 117.833 1.067 1
1 283 . 17 1 1 A 32 32 ASP H H 32 9.032 8.701 0.331 1
1 284 . 17 1 1 A 32 32 ASP HA H 32 4.943 4.373 0.570 1
1 287 . 17 1 1 A 32 32 ASP C C 32 177.992 177.405 0.587 1
1 288 . 17 1 1 A 32 32 ASP CA C 32 53.428 54.779 -1.351 1
1 289 . 17 1 1 A 32 32 ASP CB C 32 42.939 42.568 0.371 1
1 290 . 17 1 1 A 32 32 ASP N N 32 121.708 124.552 -2.844 1
1 291 . 17 1 1 A 33 33 ARG H H 33 8.847 8.741 0.106 1
1 292 . 17 1 1 A 33 33 ARG HA H 33 3.952 4.038 -0.086 1
1 299 . 17 1 1 A 33 33 ARG C C 33 176.257 176.514 -0.257 1
1 300 . 17 1 1 A 33 33 ARG CA C 33 59.113 58.264 0.849 1
1 301 . 17 1 1 A 33 33 ARG CB C 33 30.011 29.787 0.224 1
1 304 . 17 1 1 A 33 33 ARG N N 33 121.873 124.458 -2.585 1
1 305 . 17 1 1 A 34 34 THR H H 34 8.058 8.272 -0.214 1
1 306 . 17 1 1 A 34 34 THR HA H 34 4.350 5.108 -0.758 1
1 311 . 17 1 1 A 34 34 THR C C 34 174.371 174.363 0.008 1
1 312 . 17 1 1 A 34 34 THR CA C 34 60.432 61.885 -1.453 1
1 313 . 17 1 1 A 34 34 THR CB C 34 68.739 69.299 -0.560 1
1 315 . 17 1 1 A 34 34 THR N N 34 104.720 109.033 -4.313 1
1 316 . 17 1 1 A 35 35 GLU H H 35 7.473 7.697 -0.224 1
1 317 . 17 1 1 A 35 35 GLU HA H 35 4.239 4.245 -0.006 1
1 322 . 17 1 1 A 35 35 GLU C C 35 176.021 175.835 0.186 1
1 323 . 17 1 1 A 35 35 GLU CA C 35 56.921 56.750 0.171 1
1 324 . 17 1 1 A 35 35 GLU CB C 35 31.086 30.322 0.764 1
1 326 . 17 1 1 A 35 35 GLU N N 35 123.129 123.898 -0.769 1
1 327 . 17 1 1 A 36 36 THR H H 36 8.432 8.637 -0.205 1
1 328 . 17 1 1 A 36 36 THR HA H 36 4.987 5.074 -0.087 1
1 333 . 17 1 1 A 36 36 THR C C 36 175.939 176.184 -0.245 1
1 334 . 17 1 1 A 36 36 THR CA C 36 60.249 60.413 -0.164 1
1 335 . 17 1 1 A 36 36 THR CB C 36 71.783 71.244 0.539 1
1 337 . 17 1 1 A 36 36 THR N N 36 112.476 115.657 -3.181 1
1 338 . 17 1 1 A 37 37 VAL H H 37 8.087 9.100 -1.013 1
1 339 . 17 1 1 A 37 37 VAL HA H 37 3.411 3.678 -0.267 1
1 347 . 17 1 1 A 37 37 VAL C C 37 178.249 177.506 0.743 1
1 348 . 17 1 1 A 37 37 VAL CA C 37 67.397 66.586 0.811 1
1 349 . 17 1 1 A 37 37 VAL CB C 37 31.567 31.476 0.091 1
1 352 . 17 1 1 A 37 37 VAL N N 37 121.215 122.884 -1.669 1
1 353 . 17 1 1 A 38 38 SER H H 38 8.863 8.483 0.380 1
1 354 . 17 1 1 A 38 38 SER HA H 38 4.760 4.229 0.531 1
1 357 . 17 1 1 A 38 38 SER C C 38 176.814 177.041 -0.227 1
1 358 . 17 1 1 A 38 38 SER CA C 38 57.746 61.619 -3.873 1
1 359 . 17 1 1 A 38 38 SER CB C 38 62.627 62.244 0.383 1
1 360 . 17 1 1 A 38 38 SER N N 38 112.752 114.971 -2.219 1
1 361 . 17 1 1 A 39 39 SER H H 39 7.999 7.987 0.012 1
1 362 . 17 1 1 A 39 39 SER HA H 39 4.318 4.547 -0.229 1
1 365 . 17 1 1 A 39 39 SER C C 39 177.692 176.558 1.134 1
1 366 . 17 1 1 A 39 39 SER CA C 39 61.338 61.902 -0.564 1
1 367 . 17 1 1 A 39 39 SER CB C 39 62.349 63.286 -0.937 1
1 368 . 17 1 1 A 39 39 SER N N 39 117.918 116.906 1.012 1
1 369 . 17 1 1 A 40 40 LEU H H 40 8.227 8.496 -0.269 1
1 370 . 17 1 1 A 40 40 LEU HA H 40 4.104 4.062 0.042 1
1 380 . 17 1 1 A 40 40 LEU C C 40 178.420 178.726 -0.306 1
1 381 . 17 1 1 A 40 40 LEU CA C 40 58.235 57.989 0.246 1
1 382 . 17 1 1 A 40 40 LEU CB C 40 40.797 41.878 -1.081 1
1 386 . 17 1 1 A 40 40 LEU N N 40 123.592 122.912 0.680 1
1 387 . 17 1 1 A 41 41 LYS H H 41 8.470 8.070 0.400 1
1 388 . 17 1 1 A 41 41 LYS HA H 41 3.824 4.133 -0.309 1
1 397 . 17 1 1 A 41 41 LYS C C 41 178.476 179.452 -0.976 1
1 398 . 17 1 1 A 41 41 LYS CA C 41 61.313 59.896 1.417 1
1 399 . 17 1 1 A 41 41 LYS CB C 41 32.414 32.042 0.372 1
1 403 . 17 1 1 A 41 41 LYS N N 41 118.401 118.717 -0.316 1
1 404 . 17 1 1 A 42 42 ASP H H 42 7.956 7.882 0.074 1
1 405 . 17 1 1 A 42 42 ASP HA H 42 4.447 4.509 -0.062 1
1 408 . 17 1 1 A 42 42 ASP C C 42 178.806 179.230 -0.424 1
1 409 . 17 1 1 A 42 42 ASP CA C 42 57.802 57.311 0.491 1
1 410 . 17 1 1 A 42 42 ASP CB C 42 40.585 40.020 0.565 1
1 411 . 17 1 1 A 42 42 ASP N N 42 119.295 120.220 -0.925 1
1 412 . 17 1 1 A 43 43 LYS H H 43 8.024 7.752 0.272 1
1 413 . 17 1 1 A 43 43 LYS HA H 43 4.039 4.096 -0.057 1
1 422 . 17 1 1 A 43 43 LYS C C 43 179.941 179.629 0.312 1
1 423 . 17 1 1 A 43 43 LYS CA C 43 60.014 59.191 0.823 1
1 424 . 17 1 1 A 43 43 LYS CB C 43 32.865 32.451 0.414 1
1 428 . 17 1 1 A 43 43 LYS N N 43 119.784 118.622 1.162 1
1 429 . 17 1 1 A 44 44 ILE H H 44 8.480 7.907 0.573 1
1 430 . 17 1 1 A 44 44 ILE HA H 44 3.702 3.898 -0.196 1
1 440 . 17 1 1 A 44 44 ILE C C 44 177.328 178.459 -1.131 1
1 441 . 17 1 1 A 44 44 ILE CA C 44 65.725 65.341 0.384 1
1 442 . 17 1 1 A 44 44 ILE CB C 44 38.110 37.882 0.228 1
1 446 . 17 1 1 A 44 44 ILE N N 44 119.363 120.669 -1.306 1
1 447 . 17 1 1 A 45 45 HIS H H 45 8.635 8.361 0.274 1
1 448 . 17 1 1 A 45 45 HIS HA H 45 4.471 4.235 0.236 1
1 453 . 17 1 1 A 45 45 HIS C C 45 176.407 177.108 -0.701 1
1 454 . 17 1 1 A 45 45 HIS CA C 45 58.451 59.883 -1.432 1
1 455 . 17 1 1 A 45 45 HIS CB C 45 28.055 29.711 -1.656 1
1 458 . 17 1 1 A 45 45 HIS N N 45 118.889 119.624 -0.735 1
1 461 . 17 1 1 A 46 46 ILE H H 46 7.868 7.764 0.104 1
1 462 . 17 1 1 A 46 46 ILE HA H 46 3.571 3.673 -0.102 1
1 472 . 17 1 1 A 46 46 ILE C C 46 177.371 178.221 -0.850 1
1 473 . 17 1 1 A 46 46 ILE CA C 46 63.925 63.865 0.060 1
1 474 . 17 1 1 A 46 46 ILE CB C 46 37.704 37.307 0.397 1
1 478 . 17 1 1 A 46 46 ILE N N 46 118.414 119.336 -0.922 1
1 479 . 17 1 1 A 47 47 VAL H H 47 7.223 7.313 -0.090 1
1 480 . 17 1 1 A 47 47 VAL HA H 47 3.684 3.784 -0.100 1
1 488 . 17 1 1 A 47 47 VAL C C 47 176.706 175.527 1.179 1
1 489 . 17 1 1 A 47 47 VAL CA C 47 64.807 64.902 -0.095 1
1 490 . 17 1 1 A 47 47 VAL CB C 47 32.209 32.599 -0.390 1
1 493 . 17 1 1 A 47 47 VAL N N 47 116.982 118.675 -1.693 1
1 494 . 17 1 1 A 48 48 GLU H H 48 8.090 8.432 -0.342 1
1 495 . 17 1 1 A 48 48 GLU HA H 48 4.271 4.487 -0.216 1
1 500 . 17 1 1 A 48 48 GLU C C 48 176.042 175.617 0.425 1
1 501 . 17 1 1 A 48 48 GLU CA C 48 55.062 54.485 0.577 1
1 502 . 17 1 1 A 48 48 GLU CB C 48 31.544 30.797 0.747 1
1 504 . 17 1 1 A 48 48 GLU N N 48 118.849 118.070 0.779 1
1 505 . 17 1 1 A 49 49 ASN H H 49 8.113 8.553 -0.440 1
1 506 . 17 1 1 A 49 49 ASN HA H 49 4.137 4.762 -0.625 1
1 511 . 17 1 1 A 49 49 ASN C C 49 174.993 174.079 0.914 1
1 512 . 17 1 1 A 49 49 ASN CA C 49 54.287 52.410 1.877 1
1 513 . 17 1 1 A 49 49 ASN CB C 49 37.647 36.963 0.684 1
1 514 . 17 1 1 A 49 49 ASN N N 49 118.695 120.994 -2.299 1
1 516 . 17 1 1 A 50 50 THR H H 50 7.780 7.782 -0.002 1
1 517 . 17 1 1 A 50 50 THR HA H 50 4.483 4.901 -0.418 1
1 522 . 17 1 1 A 50 50 THR C C 50 173.107 172.694 0.413 1
1 523 . 17 1 1 A 50 50 THR CA C 50 61.094 59.244 1.850 1
1 524 . 17 1 1 A 50 50 THR CB C 50 70.926 72.676 -1.750 1
1 526 . 17 1 1 A 50 50 THR N N 50 118.434 119.521 -1.087 1
1 527 . 17 1 1 A 51 51 PRO HA H 51 4.485 4.693 -0.208 1
1 534 . 17 1 1 A 51 51 PRO C C 51 178.067 177.970 0.097 1
1 535 . 17 1 1 A 51 51 PRO CA C 51 63.075 63.074 0.001 1
1 536 . 17 1 1 A 51 51 PRO CB C 51 31.996 32.317 -0.321 1
1 539 . 17 1 1 A 52 52 ILE H H 52 8.530 8.364 0.166 1
1 540 . 17 1 1 A 52 52 ILE HA H 52 3.764 3.879 -0.115 1
1 550 . 17 1 1 A 52 52 ILE C C 52 179.363 178.064 1.299 1
1 551 . 17 1 1 A 52 52 ILE CA C 52 64.855 63.850 1.005 1
1 552 . 17 1 1 A 52 52 ILE CB C 52 38.109 37.561 0.548 1
1 556 . 17 1 1 A 52 52 ILE N N 52 125.501 122.903 2.598 1
1 557 . 17 1 1 A 53 53 LYS H H 53 8.603 8.004 0.599 1
1 558 . 17 1 1 A 53 53 LYS HA H 53 4.180 4.248 -0.068 1
1 567 . 17 1 1 A 53 53 LYS C C 53 177.113 177.357 -0.244 1
1 568 . 17 1 1 A 53 53 LYS CA C 53 57.816 58.688 -0.872 1
1 569 . 17 1 1 A 53 53 LYS CB C 53 31.992 32.140 -0.148 1
1 573 . 17 1 1 A 53 53 LYS N N 53 117.464 120.701 -3.237 1
1 574 . 17 1 1 A 54 54 ARG H H 54 7.479 7.629 -0.150 1
1 575 . 17 1 1 A 54 54 ARG HA H 54 4.361 4.450 -0.089 1
1 582 . 17 1 1 A 54 54 ARG C C 54 175.507 176.099 -0.592 1
1 583 . 17 1 1 A 54 54 ARG CA C 54 56.051 57.191 -1.140 1
1 584 . 17 1 1 A 54 54 ARG CB C 54 31.559 31.522 0.037 1
1 587 . 17 1 1 A 54 54 ARG N N 54 114.601 116.698 -2.097 1
1 588 . 17 1 1 A 55 55 MET H H 55 7.479 7.432 0.047 1
1 589 . 17 1 1 A 55 55 MET HA H 55 4.435 4.629 -0.194 1
1 597 . 17 1 1 A 55 55 MET C C 55 175.276 175.240 0.036 1
1 598 . 17 1 1 A 55 55 MET CA C 55 57.365 54.685 2.680 1
1 599 . 17 1 1 A 55 55 MET CB C 55 35.142 34.086 1.056 1
1 602 . 17 1 1 A 55 55 MET N N 55 116.986 117.869 -0.883 1
1 603 . 17 1 1 A 56 56 GLN H H 56 8.958 9.216 -0.258 1
1 604 . 17 1 1 A 56 56 GLN HA H 56 4.502 5.095 -0.593 1
1 611 . 17 1 1 A 56 56 GLN C C 56 173.429 174.471 -1.042 1
1 612 . 17 1 1 A 56 56 GLN CA C 56 54.982 54.306 0.676 1
1 613 . 17 1 1 A 56 56 GLN CB C 56 32.420 32.155 0.265 1
1 615 . 17 1 1 A 56 56 GLN N N 56 124.094 123.550 0.544 1
1 617 . 17 1 1 A 57 57 LEU H H 57 8.603 8.688 -0.085 1
1 618 . 17 1 1 A 57 57 LEU HA H 57 5.190 5.197 -0.007 1
1 628 . 17 1 1 A 57 57 LEU C C 57 175.421 175.842 -0.421 1
1 629 . 17 1 1 A 57 57 LEU CA C 57 53.437 53.674 -0.237 1
1 630 . 17 1 1 A 57 57 LEU CB C 57 44.367 43.742 0.625 1
1 634 . 17 1 1 A 57 57 LEU N N 57 124.534 126.078 -1.544 1
1 635 . 17 1 1 A 58 58 TYR H H 58 9.319 9.162 0.157 1
1 636 . 17 1 1 A 58 58 TYR HA H 58 5.145 5.389 -0.244 1
1 643 . 17 1 1 A 58 58 TYR C C 58 174.821 174.405 0.416 1
1 644 . 17 1 1 A 58 58 TYR CA C 58 56.503 56.582 -0.079 1
1 645 . 17 1 1 A 58 58 TYR CB C 58 43.323 40.954 2.369 1
1 648 . 17 1 1 A 58 58 TYR N N 58 119.746 122.358 -2.612 1
1 649 . 17 1 1 A 59 59 TYR H H 59 8.993 9.169 -0.176 1
1 650 . 17 1 1 A 59 59 TYR HA H 59 5.173 4.922 0.251 1
1 657 . 17 1 1 A 59 59 TYR C C 59 174.980 175.706 -0.726 1
1 658 . 17 1 1 A 59 59 TYR CA C 59 55.625 57.177 -1.552 1
1 659 . 17 1 1 A 59 59 TYR CB C 59 41.981 39.181 2.800 1
1 662 . 17 1 1 A 59 59 TYR N N 59 120.286 127.572 -7.286 1
1 663 . 17 1 1 A 60 60 SER H H 60 9.320 8.733 0.587 1
1 664 . 17 1 1 A 60 60 SER HA H 60 3.668 3.924 -0.256 1
1 667 . 17 1 1 A 60 60 SER C C 60 174.893 174.372 0.521 1
1 668 . 17 1 1 A 60 60 SER CA C 60 57.815 60.741 -2.926 1
1 669 . 17 1 1 A 60 60 SER CB C 60 62.602 61.387 1.215 1
1 670 . 17 1 1 A 60 60 SER N N 60 125.263 120.626 4.637 1
1 671 . 17 1 1 A 61 61 GLY H H 61 8.649 8.502 0.147 1
1 672 . 17 1 1 A 61 61 GLY HA2 H 61 4.035 4.119 -0.084 1
1 673 . 17 1 1 A 61 61 GLY HA3 H 61 3.409 4.180 -0.771 1
1 674 . 17 1 1 A 61 61 GLY C C 61 173.346 173.476 -0.130 1
1 675 . 17 1 1 A 61 61 GLY CA C 61 44.726 45.570 -0.844 1
1 676 . 17 1 1 A 62 62 ILE H H 62 8.128 7.760 0.368 1
1 677 . 17 1 1 A 62 62 ILE HA H 62 4.304 4.261 0.043 1
1 687 . 17 1 1 A 62 62 ILE C C 62 174.950 175.401 -0.451 1
1 688 . 17 1 1 A 62 62 ILE CA C 62 59.396 60.591 -1.195 1
1 689 . 17 1 1 A 62 62 ILE CB C 62 39.110 38.913 0.197 1
1 693 . 17 1 1 A 62 62 ILE N N 62 123.077 120.638 2.439 1
1 694 . 17 1 1 A 63 63 GLU H H 63 8.697 8.641 0.056 1
1 695 . 17 1 1 A 63 63 GLU HA H 63 3.534 3.892 -0.358 1
1 700 . 17 1 1 A 63 63 GLU C C 63 177.156 175.527 1.629 1
1 701 . 17 1 1 A 63 63 GLU CA C 63 55.231 55.844 -0.613 1
1 702 . 17 1 1 A 63 63 GLU CB C 63 29.804 29.366 0.438 1
1 704 . 17 1 1 A 63 63 GLU N N 63 127.682 127.803 -0.121 1
1 705 . 17 1 1 A 64 64 LEU H H 64 8.791 8.938 -0.147 1
1 706 . 17 1 1 A 64 64 LEU HA H 64 3.954 4.261 -0.307 1
1 716 . 17 1 1 A 64 64 LEU C C 64 176.428 176.616 -0.188 1
1 717 . 17 1 1 A 64 64 LEU CA C 64 52.211 54.207 -1.996 1
1 718 . 17 1 1 A 64 64 LEU CB C 64 37.239 39.979 -2.740 1
1 722 . 17 1 1 A 64 64 LEU N N 64 130.005 128.337 1.668 1
1 723 . 17 1 1 A 65 65 ALA H H 65 7.369 8.218 -0.849 1
1 724 . 17 1 1 A 65 65 ALA HA H 65 4.052 4.228 -0.176 1
1 728 . 17 1 1 A 65 65 ALA C C 65 176.322 176.755 -0.433 1
1 729 . 17 1 1 A 65 65 ALA CA C 65 53.207 52.484 0.723 1
1 730 . 17 1 1 A 65 65 ALA CB C 65 20.170 19.760 0.410 1
1 731 . 17 1 1 A 65 65 ALA N N 65 124.744 127.346 -2.602 1
1 732 . 17 1 1 A 66 66 ASP H H 66 7.472 7.553 -0.081 1
1 733 . 17 1 1 A 66 66 ASP HA H 66 4.857 4.491 0.366 1
1 736 . 17 1 1 A 66 66 ASP C C 66 175.635 175.474 0.161 1
1 737 . 17 1 1 A 66 66 ASP CA C 66 52.192 52.748 -0.556 1
1 738 . 17 1 1 A 66 66 ASP CB C 66 41.603 39.561 2.042 1
1 739 . 17 1 1 A 66 66 ASP N N 66 117.457 118.924 -1.467 1
1 740 . 17 1 1 A 67 67 ASP H H 67 8.541 8.428 0.113 1
1 741 . 17 1 1 A 67 67 ASP HA H 67 4.209 4.300 -0.091 1
1 744 . 17 1 1 A 67 67 ASP C C 67 176.292 177.278 -0.986 1
1 745 . 17 1 1 A 67 67 ASP CA C 67 56.925 57.040 -0.115 1
1 746 . 17 1 1 A 67 67 ASP CB C 67 40.835 40.312 0.523 1
1 747 . 17 1 1 A 67 67 ASP N N 67 124.544 124.851 -0.307 1
1 748 . 17 1 1 A 68 68 TYR H H 68 7.701 7.094 0.607 1
1 749 . 17 1 1 A 68 68 TYR HA H 68 4.589 4.503 0.086 1
1 756 . 17 1 1 A 68 68 TYR C C 68 175.742 175.171 0.571 1
1 757 . 17 1 1 A 68 68 TYR CA C 68 56.622 58.355 -1.733 1
1 758 . 17 1 1 A 68 68 TYR CB C 68 37.607 38.787 -1.180 1
1 761 . 17 1 1 A 68 68 TYR N N 68 112.752 116.416 -3.664 1
1 762 . 17 1 1 A 69 69 ARG H H 69 7.182 7.310 -0.128 1
1 763 . 17 1 1 A 69 69 ARG HA H 69 4.245 4.863 -0.618 1
1 771 . 17 1 1 A 69 69 ARG C C 69 175.443 175.815 -0.372 1
1 772 . 17 1 1 A 69 69 ARG CA C 69 56.056 54.819 1.237 1
1 773 . 17 1 1 A 69 69 ARG CB C 69 31.536 32.278 -0.742 1
1 776 . 17 1 1 A 69 69 ARG N N 69 122.155 121.110 1.045 1
1 778 . 17 1 1 A 70 70 ASN H H 70 8.749 8.804 -0.055 1
1 779 . 17 1 1 A 70 70 ASN HA H 70 5.068 5.008 0.060 1
1 784 . 17 1 1 A 70 70 ASN C C 70 177.349 176.697 0.652 1
1 785 . 17 1 1 A 70 70 ASN CA C 70 52.528 53.526 -0.998 1
1 786 . 17 1 1 A 70 70 ASN CB C 70 39.856 39.065 0.791 1
1 787 . 17 1 1 A 70 70 ASN N N 70 120.300 121.669 -1.369 1
1 789 . 17 1 1 A 71 71 LEU H H 71 8.603 8.992 -0.389 1
1 790 . 17 1 1 A 71 71 LEU HA H 71 3.943 4.104 -0.161 1
1 800 . 17 1 1 A 71 71 LEU C C 71 179.470 178.751 0.719 1
1 801 . 17 1 1 A 71 71 LEU CA C 71 58.074 58.096 -0.022 1
1 802 . 17 1 1 A 71 71 LEU CB C 71 39.446 41.575 -2.129 1
1 806 . 17 1 1 A 71 71 LEU N N 71 118.872 123.649 -4.777 1
1 807 . 17 1 1 A 72 72 ASN H H 72 8.561 8.570 -0.009 1
1 808 . 17 1 1 A 72 72 ASN HA H 72 4.394 4.387 0.007 1
1 813 . 17 1 1 A 72 72 ASN C C 72 178.592 177.174 1.418 1
1 814 . 17 1 1 A 72 72 ASN CA C 72 56.065 55.802 0.263 1
1 815 . 17 1 1 A 72 72 ASN CB C 72 37.663 37.287 0.376 1
1 816 . 17 1 1 A 72 72 ASN N N 72 115.744 116.379 -0.635 1
1 818 . 17 1 1 A 73 73 GLU H H 73 7.979 7.802 0.177 1
1 819 . 17 1 1 A 73 73 GLU HA H 73 4.041 3.977 0.064 1
1 824 . 17 1 1 A 73 73 GLU C C 73 177.778 178.936 -1.158 1
1 825 . 17 1 1 A 73 73 GLU CA C 73 58.680 59.045 -0.365 1
1 826 . 17 1 1 A 73 73 GLU CB C 73 29.114 29.354 -0.240 1
1 828 . 17 1 1 A 73 73 GLU N N 73 121.014 120.279 0.735 1
1 829 . 17 1 1 A 74 74 TYR H H 74 7.500 7.085 0.415 1
1 830 . 17 1 1 A 74 74 TYR HA H 74 4.567 4.481 0.086 1
1 837 . 17 1 1 A 74 74 TYR C C 74 175.592 175.946 -0.354 1
1 838 . 17 1 1 A 74 74 TYR CA C 74 58.790 58.416 0.374 1
1 839 . 17 1 1 A 74 74 TYR CB C 74 39.440 38.591 0.849 1
1 842 . 17 1 1 A 74 74 TYR N N 74 115.573 117.421 -1.848 1
1 843 . 17 1 1 A 75 75 GLY H H 75 7.702 7.908 -0.206 1
1 844 . 17 1 1 A 75 75 GLY HA2 H 75 4.274 4.017 0.257 1
1 845 . 17 1 1 A 75 75 GLY HA3 H 75 3.749 4.042 -0.293 1
1 846 . 17 1 1 A 75 75 GLY C C 75 174.007 174.531 -0.524 1
1 847 . 17 1 1 A 75 75 GLY CA C 75 45.133 45.175 -0.042 1
1 848 . 17 1 1 A 75 75 GLY N N 75 105.620 106.405 -0.785 1
1 849 . 17 1 1 A 76 76 ILE H H 76 6.628 7.350 -0.722 1
1 850 . 17 1 1 A 76 76 ILE HA H 76 3.170 3.693 -0.523 1
1 860 . 17 1 1 A 76 76 ILE C C 76 174.607 174.880 -0.273 1
1 861 . 17 1 1 A 76 76 ILE CA C 76 62.037 61.209 0.828 1
1 862 . 17 1 1 A 76 76 ILE CB C 76 36.805 37.213 -0.408 1
1 866 . 17 1 1 A 76 76 ILE N N 76 120.041 122.269 -2.228 1
1 867 . 17 1 1 A 77 77 THR H H 77 8.437 8.627 -0.190 1
1 868 . 17 1 1 A 77 77 THR HA H 77 4.420 4.602 -0.182 1
1 873 . 17 1 1 A 77 77 THR C C 77 172.893 173.493 -0.600 1
1 874 . 17 1 1 A 77 77 THR CA C 77 58.687 59.599 -0.912 1
1 875 . 17 1 1 A 77 77 THR CB C 77 70.917 71.172 -0.255 1
1 877 . 17 1 1 A 77 77 THR N N 77 121.014 122.315 -1.301 1
1 878 . 17 1 1 A 78 78 GLU H H 78 8.235 8.619 -0.384 1
1 879 . 17 1 1 A 78 78 GLU HA H 78 4.088 4.029 0.059 1
1 884 . 17 1 1 A 78 78 GLU C C 78 177.242 177.270 -0.028 1
1 885 . 17 1 1 A 78 78 GLU CA C 78 58.254 56.716 1.538 1
1 886 . 17 1 1 A 78 78 GLU CB C 78 29.336 30.040 -0.704 1
1 888 . 17 1 1 A 78 78 GLU N N 78 121.643 123.980 -2.337 1
1 889 . 17 1 1 A 79 79 PHE H H 79 9.152 8.097 1.055 1
1 890 . 17 1 1 A 79 79 PHE HA H 79 4.363 4.195 0.168 1
1 895 . 17 1 1 A 79 79 PHE C C 79 176.385 174.427 1.958 1
1 896 . 17 1 1 A 79 79 PHE CA C 79 59.552 59.197 0.355 1
1 897 . 17 1 1 A 79 79 PHE CB C 79 36.282 35.881 0.401 1
1 899 . 17 1 1 A 79 79 PHE N N 79 118.909 119.378 -0.469 1
1 900 . 17 1 1 A 80 80 SER H H 80 8.341 8.061 0.280 1
1 901 . 17 1 1 A 80 80 SER HA H 80 4.576 4.733 -0.157 1
1 904 . 17 1 1 A 80 80 SER C C 80 171.629 173.240 -1.611 1
1 905 . 17 1 1 A 80 80 SER CA C 80 61.398 57.803 3.595 1
1 906 . 17 1 1 A 80 80 SER CB C 80 64.796 65.536 -0.740 1
1 907 . 17 1 1 A 80 80 SER N N 80 118.396 113.623 4.773 1
1 908 . 17 1 1 A 81 81 GLU H H 81 8.692 8.666 0.026 1
1 909 . 17 1 1 A 81 81 GLU HA H 81 5.115 5.005 0.110 1
1 914 . 17 1 1 A 81 81 GLU C C 81 174.993 175.607 -0.614 1
1 915 . 17 1 1 A 81 81 GLU CA C 81 54.749 55.103 -0.354 1
1 916 . 17 1 1 A 81 81 GLU CB C 81 31.666 31.612 0.054 1
1 918 . 17 1 1 A 81 81 GLU N N 81 122.155 119.753 2.402 1
1 919 . 17 1 1 A 82 82 ILE H H 82 9.335 9.299 0.036 1
1 920 . 17 1 1 A 82 82 ILE HA H 82 4.796 5.139 -0.343 1
1 930 . 17 1 1 A 82 82 ILE C C 82 174.350 174.939 -0.589 1
1 931 . 17 1 1 A 82 82 ILE CA C 82 58.543 59.729 -1.186 1
1 932 . 17 1 1 A 82 82 ILE CB C 82 39.050 39.034 0.016 1
1 936 . 17 1 1 A 82 82 ILE N N 82 127.389 126.413 0.976 1
1 937 . 17 1 1 A 83 83 VAL H H 83 9.136 9.309 -0.173 1
1 938 . 17 1 1 A 83 83 VAL HA H 83 4.359 4.210 0.149 1
1 946 . 17 1 1 A 83 83 VAL C C 83 174.971 175.171 -0.200 1
1 947 . 17 1 1 A 83 83 VAL CA C 83 61.756 62.215 -0.459 1
1 948 . 17 1 1 A 83 83 VAL CB C 83 33.537 31.999 1.538 1
1 951 . 17 1 1 A 83 83 VAL N N 83 128.322 128.345 -0.023 1
1 952 . 17 1 1 A 84 84 VAL H H 84 8.019 9.237 -1.218 1
1 953 . 17 1 1 A 84 84 VAL HA H 84 4.524 4.736 -0.212 1
1 961 . 17 1 1 A 84 84 VAL C C 84 175.090 175.005 0.085 1
1 962 . 17 1 1 A 84 84 VAL CA C 84 61.268 61.226 0.042 1
1 963 . 17 1 1 A 84 84 VAL CB C 84 32.543 31.135 1.408 1
1 966 . 17 1 1 A 84 84 VAL N N 84 125.746 128.344 -2.598 1
1 967 . 17 1 1 A 85 85 PHE H H 85 9.165 8.788 0.377 1
1 968 . 17 1 1 A 85 85 PHE HA H 85 4.795 4.982 -0.187 1
1 976 . 17 1 1 A 85 85 PHE C C 85 174.414 175.017 -0.603 1
1 977 . 17 1 1 A 85 85 PHE CA C 85 55.636 57.043 -1.407 1
1 978 . 17 1 1 A 85 85 PHE CB C 85 41.618 40.755 0.863 1
1 982 . 17 1 1 A 85 85 PHE N N 85 126.921 126.761 0.160 1
1 983 . 17 1 1 A 86 86 LEU H H 86 8.314 8.979 -0.665 1
1 984 . 17 1 1 A 86 86 LEU HA H 86 5.103 4.753 0.350 1
1 994 . 17 1 1 A 86 86 LEU C C 86 177.221 176.513 0.708 1
1 995 . 17 1 1 A 86 86 LEU CA C 86 52.667 54.140 -1.473 1
1 996 . 17 1 1 A 86 86 LEU CB C 86 42.493 42.378 0.115 1
1 1000 . 17 1 1 A 86 86 LEU N N 86 122.166 124.876 -2.710 1
1 1001 . 17 1 1 A 87 87 LYS H H 87 9.006 9.060 -0.054 1
1 1002 . 17 1 1 A 87 87 LYS HA H 87 4.276 4.734 -0.458 1
1 1011 . 17 1 1 A 87 87 LYS C C 87 176.685 176.123 0.562 1
1 1012 . 17 1 1 A 87 87 LYS CA C 87 56.069 54.691 1.378 1
1 1013 . 17 1 1 A 87 87 LYS CB C 87 33.751 34.712 -0.961 1
1 1017 . 17 1 1 A 87 87 LYS N N 87 124.552 123.710 0.842 1
1 1018 . 17 1 1 A 88 88 SER H H 88 8.640 8.673 -0.033 1
1 1019 . 17 1 1 A 88 88 SER HA H 88 4.461 4.062 0.399 1
1 1022 . 17 1 1 A 88 88 SER C C 88 174.671 172.944 1.727 1
1 1023 . 17 1 1 A 88 88 SER CA C 88 58.244 59.544 -1.300 1
1 1024 . 17 1 1 A 88 88 SER CB C 88 63.518 61.482 2.036 1
1 1025 . 17 1 1 A 88 88 SER N N 88 118.741 113.085 5.656 1
1 1026 . 17 1 1 A 89 89 ILE H H 89 8.401 7.731 0.670 1
1 1027 . 17 1 1 A 89 89 ILE HA H 89 4.173 4.557 -0.384 1
1 1037 . 17 1 1 A 89 89 ILE C C 89 175.828 174.594 1.234 1
1 1038 . 17 1 1 A 89 89 ILE CA C 89 61.240 59.608 1.632 1
1 1039 . 17 1 1 A 89 89 ILE CB C 89 38.930 39.156 -0.226 1
1 1043 . 17 1 1 A 89 89 ILE N N 89 122.196 116.940 5.256 1
1 1044 . 17 1 1 A 90 90 ASN H H 90 8.479 8.936 -0.457 1
1 1045 . 17 1 1 A 90 90 ASN HA H 90 4.709 5.147 -0.438 1
1 1050 . 17 1 1 A 90 90 ASN C C 90 174.971 173.725 1.246 1
1 1051 . 17 1 1 A 90 90 ASN CA C 90 52.863 52.224 0.639 1
1 1052 . 17 1 1 A 90 90 ASN CB C 90 38.726 39.662 -0.936 1
1 1053 . 17 1 1 A 90 90 ASN N N 90 122.645 125.084 -2.439 1
1 1055 . 17 1 1 A 91 91 ARG H H 91 8.340 8.712 -0.372 1
1 1056 . 17 1 1 A 91 91 ARG HA H 91 4.321 4.491 -0.170 1
1 1063 . 17 1 1 A 91 91 ARG C C 91 175.850 174.806 1.044 1
1 1064 . 17 1 1 A 91 91 ARG CA C 91 55.708 55.825 -0.117 1
1 1065 . 17 1 1 A 91 91 ARG CB C 91 30.704 29.699 1.005 1
1 1068 . 17 1 1 A 91 91 ARG N N 91 122.190 125.621 -3.431 1
1 1069 . 17 1 1 A 92 92 ALA H H 92 8.310 8.034 0.276 1
1 1070 . 17 1 1 A 92 92 ALA HA H 92 4.292 4.477 -0.185 1
1 1074 . 17 1 1 A 92 92 ALA C C 92 177.456 177.574 -0.118 1
1 1075 . 17 1 1 A 92 92 ALA CA C 92 52.524 52.291 0.233 1
1 1076 . 17 1 1 A 92 92 ALA CB C 92 19.254 19.315 -0.061 1
1 1077 . 17 1 1 A 92 92 ALA N N 92 125.492 129.427 -3.935 1
1 1078 . 17 1 1 A 93 93 LYS H H 93 8.189 8.607 -0.418 1
1 1079 . 17 1 1 A 93 93 LYS HA H 93 4.318 4.857 -0.539 1
1 1088 . 17 1 1 A 93 93 LYS C C 93 175.357 174.960 0.397 1
1 1089 . 17 1 1 A 93 93 LYS CA C 93 56.059 54.361 1.698 1
1 1090 . 17 1 1 A 93 93 LYS CB C 93 33.101 35.208 -2.107 1
1 1094 . 17 1 1 A 93 93 LYS N N 93 120.307 122.197 -1.890 1
1 1 . 18 1 1 A 11 11 ALA HA H 11 4.252 4.611 -0.359 1
1 5 . 18 1 1 A 11 11 ALA CA C 11 52.471 50.943 1.528 1
1 6 . 18 1 1 A 11 11 ALA CB C 11 19.020 23.128 -4.108 1
1 7 . 18 1 1 A 12 12 ALA H H 12 8.179 8.205 -0.026 1
1 8 . 18 1 1 A 12 12 ALA HA H 12 4.291 4.371 -0.080 1
1 12 . 18 1 1 A 12 12 ALA C C 12 177.662 176.329 1.333 1
1 13 . 18 1 1 A 12 12 ALA CA C 12 52.444 51.947 0.497 1
1 14 . 18 1 1 A 12 12 ALA CB C 12 18.943 18.660 0.283 1
1 15 . 18 1 1 A 12 12 ALA N N 12 123.114 122.920 0.194 1
1 16 . 18 1 1 A 13 13 VAL H H 13 8.006 8.774 -0.768 1
1 17 . 18 1 1 A 13 13 VAL HA H 13 4.100 4.690 -0.590 1
1 25 . 18 1 1 A 13 13 VAL C C 13 175.990 174.146 1.844 1
1 26 . 18 1 1 A 13 13 VAL CA C 13 62.182 59.867 2.315 1
1 27 . 18 1 1 A 13 13 VAL CB C 13 32.442 33.947 -1.505 1
1 29 . 18 1 1 A 13 13 VAL N N 13 119.213 124.573 -5.360 1
1 30 . 18 1 1 A 14 14 ARG H H 14 8.329 8.739 -0.410 1
1 31 . 18 1 1 A 14 14 ARG HA H 14 4.344 4.602 -0.258 1
1 38 . 18 1 1 A 14 14 ARG C C 14 175.844 175.101 0.743 1
1 39 . 18 1 1 A 14 14 ARG CA C 14 56.071 55.481 0.590 1
1 40 . 18 1 1 A 14 14 ARG CB C 14 31.099 30.585 0.514 1
1 43 . 18 1 1 A 14 14 ARG N N 14 125.039 128.080 -3.041 1
1 44 . 18 1 1 A 15 15 LYS H H 15 8.147 8.442 -0.295 1
1 45 . 18 1 1 A 15 15 LYS HA H 15 4.552 4.407 0.145 1
1 54 . 18 1 1 A 15 15 LYS C C 15 176.186 177.044 -0.858 1
1 55 . 18 1 1 A 15 15 LYS CA C 15 55.632 56.493 -0.861 1
1 56 . 18 1 1 A 15 15 LYS CB C 15 33.543 33.101 0.442 1
1 60 . 18 1 1 A 15 15 LYS N N 15 121.711 124.577 -2.866 1
1 61 . 18 1 1 A 16 16 ILE H H 16 8.764 8.551 0.213 1
1 62 . 18 1 1 A 16 16 ILE HA H 16 4.508 4.509 -0.001 1
1 72 . 18 1 1 A 16 16 ILE C C 16 174.333 174.998 -0.665 1
1 73 . 18 1 1 A 16 16 ILE CA C 16 59.343 59.550 -0.207 1
1 74 . 18 1 1 A 16 16 ILE CB C 16 41.575 39.152 2.423 1
1 78 . 18 1 1 A 16 16 ILE N N 16 116.484 119.917 -3.433 1
1 79 . 18 1 1 A 17 17 HIS H H 17 8.659 8.586 0.073 1
1 80 . 18 1 1 A 17 17 HIS HA H 17 5.130 4.987 0.143 1
1 85 . 18 1 1 A 17 17 HIS C C 17 174.788 175.034 -0.246 1
1 86 . 18 1 1 A 17 17 HIS CA C 17 55.562 54.785 0.777 1
1 87 . 18 1 1 A 17 17 HIS CB C 17 30.047 29.595 0.452 1
1 90 . 18 1 1 A 17 17 HIS N N 17 119.826 122.235 -2.409 1
1 93 . 18 1 1 A 18 18 VAL H H 18 8.788 8.839 -0.051 1
1 94 . 18 1 1 A 18 18 VAL HA H 18 4.681 4.683 -0.002 1
1 102 . 18 1 1 A 18 18 VAL C C 18 174.631 174.856 -0.225 1
1 103 . 18 1 1 A 18 18 VAL CA C 18 59.568 60.532 -0.964 1
1 104 . 18 1 1 A 18 18 VAL CB C 18 34.191 33.319 0.872 1
1 107 . 18 1 1 A 18 18 VAL N N 18 117.203 119.437 -2.234 1
1 108 . 18 1 1 A 19 19 THR H H 19 8.746 8.717 0.029 1
1 109 . 18 1 1 A 19 19 THR HA H 19 4.603 4.780 -0.177 1
1 114 . 18 1 1 A 19 19 THR C C 19 172.422 173.910 -1.488 1
1 115 . 18 1 1 A 19 19 THR CA C 19 62.159 62.120 0.039 1
1 116 . 18 1 1 A 19 19 THR CB C 19 69.640 69.280 0.360 1
1 118 . 18 1 1 A 19 19 THR N N 19 121.216 121.057 0.159 1
1 119 . 18 1 1 A 20 20 VAL H H 20 9.268 9.152 0.116 1
1 120 . 18 1 1 A 20 20 VAL HA H 20 4.426 4.429 -0.003 1
1 128 . 18 1 1 A 20 20 VAL C C 20 174.013 174.829 -0.816 1
1 129 . 18 1 1 A 20 20 VAL CA C 20 61.312 61.432 -0.120 1
1 130 . 18 1 1 A 20 20 VAL CB C 20 31.567 32.070 -0.503 1
1 133 . 18 1 1 A 20 20 VAL N N 20 128.437 127.849 0.588 1
1 134 . 18 1 1 A 21 21 LYS H H 21 9.147 9.127 0.020 1
1 135 . 18 1 1 A 21 21 LYS HA H 21 4.759 4.779 -0.020 1
1 144 . 18 1 1 A 21 21 LYS C C 21 175.935 175.198 0.737 1
1 145 . 18 1 1 A 21 21 LYS CA C 21 55.384 54.937 0.447 1
1 146 . 18 1 1 A 21 21 LYS CB C 21 34.197 33.314 0.883 1
1 150 . 18 1 1 A 21 21 LYS N N 21 126.951 127.857 -0.906 1
1 151 . 18 1 1 A 22 22 PHE H H 22 8.938 9.125 -0.187 1
1 152 . 18 1 1 A 22 22 PHE HA H 22 4.846 4.720 0.126 1
1 158 . 18 1 1 A 22 22 PHE C C 22 174.843 175.754 -0.911 1
1 159 . 18 1 1 A 22 22 PHE CA C 22 56.918 56.176 0.742 1
1 160 . 18 1 1 A 22 22 PHE CB C 22 39.021 40.413 -1.392 1
1 163 . 18 1 1 A 22 22 PHE N N 22 127.843 123.801 4.042 1
1 164 . 18 1 1 A 23 23 PRO HA H 23 4.192 4.422 -0.230 1
1 171 . 18 1 1 A 23 23 PRO C C 23 177.813 177.485 0.328 1
1 172 . 18 1 1 A 23 23 PRO CA C 23 66.150 65.014 1.136 1
1 173 . 18 1 1 A 23 23 PRO CB C 23 31.588 31.992 -0.404 1
1 176 . 18 1 1 A 24 24 SER H H 24 8.115 8.502 -0.387 1
1 177 . 18 1 1 A 24 24 SER HA H 24 4.772 4.813 -0.041 1
1 180 . 18 1 1 A 24 24 SER C C 24 173.836 173.842 -0.006 1
1 181 . 18 1 1 A 24 24 SER CA C 24 56.928 57.871 -0.943 1
1 182 . 18 1 1 A 24 24 SER CB C 24 64.789 65.431 -0.642 1
1 183 . 18 1 1 A 24 24 SER N N 24 106.127 112.447 -6.320 1
1 184 . 18 1 1 A 25 25 LYS H H 25 7.321 7.649 -0.328 1
1 185 . 18 1 1 A 25 25 LYS HA H 25 4.739 4.766 -0.027 1
1 194 . 18 1 1 A 25 25 LYS C C 25 172.915 174.234 -1.319 1
1 195 . 18 1 1 A 25 25 LYS CA C 25 55.863 55.029 0.834 1
1 196 . 18 1 1 A 25 25 LYS CB C 25 34.621 35.685 -1.064 1
1 200 . 18 1 1 A 25 25 LYS N N 25 118.386 117.391 0.995 1
1 201 . 18 1 1 A 26 26 GLN H H 26 8.566 8.713 -0.147 1
1 202 . 18 1 1 A 26 26 GLN HA H 26 5.708 5.223 0.485 1
1 209 . 18 1 1 A 26 26 GLN C C 26 174.179 174.290 -0.111 1
1 210 . 18 1 1 A 26 26 GLN CA C 26 53.888 54.714 -0.826 1
1 211 . 18 1 1 A 26 26 GLN CB C 26 32.884 32.104 0.780 1
1 213 . 18 1 1 A 26 26 GLN N N 26 117.444 119.537 -2.093 1
1 215 . 18 1 1 A 27 27 PHE H H 27 8.564 8.521 0.043 1
1 216 . 18 1 1 A 27 27 PHE HA H 27 5.085 5.373 -0.288 1
1 224 . 18 1 1 A 27 27 PHE C C 27 173.234 172.353 0.881 1
1 225 . 18 1 1 A 27 27 PHE CA C 27 55.993 56.116 -0.123 1
1 226 . 18 1 1 A 27 27 PHE CB C 27 40.088 42.036 -1.948 1
1 230 . 18 1 1 A 27 27 PHE N N 27 117.565 120.916 -3.351 1
1 231 . 18 1 1 A 28 28 THR H H 28 8.801 8.745 0.056 1
1 232 . 18 1 1 A 28 28 THR HA H 28 5.419 5.347 0.072 1
1 237 . 18 1 1 A 28 28 THR C C 28 174.650 173.594 1.056 1
1 238 . 18 1 1 A 28 28 THR CA C 28 61.203 61.741 -0.538 1
1 239 . 18 1 1 A 28 28 THR CB C 28 70.508 70.889 -0.381 1
1 241 . 18 1 1 A 28 28 THR N N 28 115.093 115.777 -0.684 1
1 242 . 18 1 1 A 29 29 VAL H H 29 8.983 9.165 -0.182 1
1 243 . 18 1 1 A 29 29 VAL HA H 29 4.549 4.967 -0.418 1
1 251 . 18 1 1 A 29 29 VAL C C 29 173.686 174.657 -0.971 1
1 252 . 18 1 1 A 29 29 VAL CA C 29 60.118 60.139 -0.021 1
1 253 . 18 1 1 A 29 29 VAL CB C 29 35.498 35.643 -0.145 1
1 256 . 18 1 1 A 29 29 VAL N N 29 121.743 124.853 -3.110 1
1 257 . 18 1 1 A 30 30 GLU H H 30 8.460 8.762 -0.302 1
1 258 . 18 1 1 A 30 30 GLU HA H 30 4.894 5.001 -0.107 1
1 263 . 18 1 1 A 30 30 GLU C C 30 175.807 176.063 -0.256 1
1 264 . 18 1 1 A 30 30 GLU CA C 30 54.922 55.672 -0.750 1
1 265 . 18 1 1 A 30 30 GLU CB C 30 31.123 30.387 0.736 1
1 267 . 18 1 1 A 30 30 GLU N N 30 125.512 125.975 -0.463 1
1 268 . 18 1 1 A 31 31 VAL H H 31 8.917 8.649 0.268 1
1 269 . 18 1 1 A 31 31 VAL HA H 31 4.634 4.837 -0.203 1
1 277 . 18 1 1 A 31 31 VAL C C 31 174.136 174.091 0.045 1
1 278 . 18 1 1 A 31 31 VAL CA C 31 58.299 58.737 -0.438 1
1 279 . 18 1 1 A 31 31 VAL CB C 31 35.067 35.354 -0.287 1
1 282 . 18 1 1 A 31 31 VAL N N 31 118.900 117.563 1.337 1
1 283 . 18 1 1 A 32 32 ASP H H 32 9.032 8.678 0.354 1
1 284 . 18 1 1 A 32 32 ASP HA H 32 4.943 4.497 0.446 1
1 287 . 18 1 1 A 32 32 ASP C C 32 177.992 177.666 0.326 1
1 288 . 18 1 1 A 32 32 ASP CA C 32 53.428 54.362 -0.934 1
1 289 . 18 1 1 A 32 32 ASP CB C 32 42.939 42.782 0.157 1
1 290 . 18 1 1 A 32 32 ASP N N 32 121.708 124.166 -2.458 1
1 291 . 18 1 1 A 33 33 ARG H H 33 8.847 8.803 0.044 1
1 292 . 18 1 1 A 33 33 ARG HA H 33 3.952 4.071 -0.119 1
1 299 . 18 1 1 A 33 33 ARG C C 33 176.257 176.715 -0.458 1
1 300 . 18 1 1 A 33 33 ARG CA C 33 59.113 58.355 0.758 1
1 301 . 18 1 1 A 33 33 ARG CB C 33 30.011 29.797 0.214 1
1 304 . 18 1 1 A 33 33 ARG N N 33 121.873 124.107 -2.234 1
1 305 . 18 1 1 A 34 34 THR H H 34 8.058 7.677 0.381 1
1 306 . 18 1 1 A 34 34 THR HA H 34 4.350 4.404 -0.054 1
1 311 . 18 1 1 A 34 34 THR C C 34 174.371 174.614 -0.243 1
1 312 . 18 1 1 A 34 34 THR CA C 34 60.432 61.967 -1.535 1
1 313 . 18 1 1 A 34 34 THR CB C 34 68.739 69.423 -0.684 1
1 315 . 18 1 1 A 34 34 THR N N 34 104.720 109.057 -4.337 1
1 316 . 18 1 1 A 35 35 GLU H H 35 7.473 7.503 -0.030 1
1 317 . 18 1 1 A 35 35 GLU HA H 35 4.239 4.246 -0.007 1
1 322 . 18 1 1 A 35 35 GLU C C 35 176.021 175.916 0.105 1
1 323 . 18 1 1 A 35 35 GLU CA C 35 56.921 56.913 0.008 1
1 324 . 18 1 1 A 35 35 GLU CB C 35 31.086 30.000 1.086 1
1 326 . 18 1 1 A 35 35 GLU N N 35 123.129 123.889 -0.760 1
1 327 . 18 1 1 A 36 36 THR H H 36 8.432 8.648 -0.216 1
1 328 . 18 1 1 A 36 36 THR HA H 36 4.987 4.994 -0.007 1
1 333 . 18 1 1 A 36 36 THR C C 36 175.939 176.255 -0.316 1
1 334 . 18 1 1 A 36 36 THR CA C 36 60.249 60.925 -0.676 1
1 335 . 18 1 1 A 36 36 THR CB C 36 71.783 70.946 0.837 1
1 337 . 18 1 1 A 36 36 THR N N 36 112.476 116.291 -3.815 1
1 338 . 18 1 1 A 37 37 VAL H H 37 8.087 9.163 -1.076 1
1 339 . 18 1 1 A 37 37 VAL HA H 37 3.411 3.667 -0.256 1
1 347 . 18 1 1 A 37 37 VAL C C 37 178.249 177.798 0.451 1
1 348 . 18 1 1 A 37 37 VAL CA C 37 67.397 66.596 0.801 1
1 349 . 18 1 1 A 37 37 VAL CB C 37 31.567 31.440 0.127 1
1 352 . 18 1 1 A 37 37 VAL N N 37 121.215 122.879 -1.664 1
1 353 . 18 1 1 A 38 38 SER H H 38 8.863 7.614 1.249 1
1 354 . 18 1 1 A 38 38 SER HA H 38 4.760 4.136 0.624 1
1 357 . 18 1 1 A 38 38 SER C C 38 176.814 177.021 -0.207 1
1 358 . 18 1 1 A 38 38 SER CA C 38 57.746 61.376 -3.630 1
1 359 . 18 1 1 A 38 38 SER CB C 38 62.627 63.140 -0.513 1
1 360 . 18 1 1 A 38 38 SER N N 38 112.752 116.432 -3.680 1
1 361 . 18 1 1 A 39 39 SER H H 39 7.999 7.748 0.251 1
1 362 . 18 1 1 A 39 39 SER HA H 39 4.318 4.316 0.002 1
1 365 . 18 1 1 A 39 39 SER C C 39 177.692 177.016 0.676 1
1 366 . 18 1 1 A 39 39 SER CA C 39 61.338 61.249 0.089 1
1 367 . 18 1 1 A 39 39 SER CB C 39 62.349 63.084 -0.735 1
1 368 . 18 1 1 A 39 39 SER N N 39 117.918 115.210 2.708 1
1 369 . 18 1 1 A 40 40 LEU H H 40 8.227 8.111 0.116 1
1 370 . 18 1 1 A 40 40 LEU HA H 40 4.104 4.054 0.050 1
1 380 . 18 1 1 A 40 40 LEU C C 40 178.420 178.883 -0.463 1
1 381 . 18 1 1 A 40 40 LEU CA C 40 58.235 58.207 0.028 1
1 382 . 18 1 1 A 40 40 LEU CB C 40 40.797 41.859 -1.062 1
1 386 . 18 1 1 A 40 40 LEU N N 40 123.592 123.138 0.454 1
1 387 . 18 1 1 A 41 41 LYS H H 41 8.470 8.148 0.322 1
1 388 . 18 1 1 A 41 41 LYS HA H 41 3.824 3.869 -0.045 1
1 397 . 18 1 1 A 41 41 LYS C C 41 178.476 178.974 -0.498 1
1 398 . 18 1 1 A 41 41 LYS CA C 41 61.313 60.494 0.819 1
1 399 . 18 1 1 A 41 41 LYS CB C 41 32.414 32.257 0.157 1
1 403 . 18 1 1 A 41 41 LYS N N 41 118.401 118.821 -0.420 1
1 404 . 18 1 1 A 42 42 ASP H H 42 7.956 8.345 -0.389 1
1 405 . 18 1 1 A 42 42 ASP HA H 42 4.447 4.358 0.089 1
1 408 . 18 1 1 A 42 42 ASP C C 42 178.806 178.751 0.055 1
1 409 . 18 1 1 A 42 42 ASP CA C 42 57.802 57.615 0.187 1
1 410 . 18 1 1 A 42 42 ASP CB C 42 40.585 41.905 -1.320 1
1 411 . 18 1 1 A 42 42 ASP N N 42 119.295 120.121 -0.826 1
1 412 . 18 1 1 A 43 43 LYS H H 43 8.024 7.845 0.179 1
1 413 . 18 1 1 A 43 43 LYS HA H 43 4.039 4.145 -0.106 1
1 422 . 18 1 1 A 43 43 LYS C C 43 179.941 179.609 0.332 1
1 423 . 18 1 1 A 43 43 LYS CA C 43 60.014 59.786 0.228 1
1 424 . 18 1 1 A 43 43 LYS CB C 43 32.865 32.448 0.417 1
1 428 . 18 1 1 A 43 43 LYS N N 43 119.784 117.987 1.797 1
1 429 . 18 1 1 A 44 44 ILE H H 44 8.480 8.182 0.298 1
1 430 . 18 1 1 A 44 44 ILE HA H 44 3.702 3.853 -0.151 1
1 440 . 18 1 1 A 44 44 ILE C C 44 177.328 178.563 -1.235 1
1 441 . 18 1 1 A 44 44 ILE CA C 44 65.725 65.136 0.589 1
1 442 . 18 1 1 A 44 44 ILE CB C 44 38.110 37.395 0.715 1
1 446 . 18 1 1 A 44 44 ILE N N 44 119.363 120.445 -1.082 1
1 447 . 18 1 1 A 45 45 HIS H H 45 8.635 8.451 0.184 1
1 448 . 18 1 1 A 45 45 HIS HA H 45 4.471 4.271 0.200 1
1 453 . 18 1 1 A 45 45 HIS C C 45 176.407 177.349 -0.942 1
1 454 . 18 1 1 A 45 45 HIS CA C 45 58.451 59.633 -1.182 1
1 455 . 18 1 1 A 45 45 HIS CB C 45 28.055 29.739 -1.684 1
1 458 . 18 1 1 A 45 45 HIS N N 45 118.889 119.881 -0.992 1
1 461 . 18 1 1 A 46 46 ILE H H 46 7.868 7.696 0.172 1
1 462 . 18 1 1 A 46 46 ILE HA H 46 3.571 3.644 -0.073 1
1 472 . 18 1 1 A 46 46 ILE C C 46 177.371 178.208 -0.837 1
1 473 . 18 1 1 A 46 46 ILE CA C 46 63.925 64.105 -0.180 1
1 474 . 18 1 1 A 46 46 ILE CB C 46 37.704 37.644 0.060 1
1 478 . 18 1 1 A 46 46 ILE N N 46 118.414 119.210 -0.796 1
1 479 . 18 1 1 A 47 47 VAL H H 47 7.223 7.371 -0.148 1
1 480 . 18 1 1 A 47 47 VAL HA H 47 3.684 3.709 -0.025 1
1 488 . 18 1 1 A 47 47 VAL C C 47 176.706 175.603 1.103 1
1 489 . 18 1 1 A 47 47 VAL CA C 47 64.807 65.388 -0.581 1
1 490 . 18 1 1 A 47 47 VAL CB C 47 32.209 32.444 -0.235 1
1 493 . 18 1 1 A 47 47 VAL N N 47 116.982 118.210 -1.228 1
1 494 . 18 1 1 A 48 48 GLU H H 48 8.090 8.467 -0.377 1
1 495 . 18 1 1 A 48 48 GLU HA H 48 4.271 4.462 -0.191 1
1 500 . 18 1 1 A 48 48 GLU C C 48 176.042 176.914 -0.872 1
1 501 . 18 1 1 A 48 48 GLU CA C 48 55.062 54.902 0.160 1
1 502 . 18 1 1 A 48 48 GLU CB C 48 31.544 30.700 0.844 1
1 504 . 18 1 1 A 48 48 GLU N N 48 118.849 118.872 -0.023 1
1 505 . 18 1 1 A 49 49 ASN H H 49 8.113 8.604 -0.491 1
1 506 . 18 1 1 A 49 49 ASN HA H 49 4.137 4.617 -0.480 1
1 511 . 18 1 1 A 49 49 ASN C C 49 174.993 175.822 -0.829 1
1 512 . 18 1 1 A 49 49 ASN CA C 49 54.287 54.346 -0.059 1
1 513 . 18 1 1 A 49 49 ASN CB C 49 37.647 38.773 -1.126 1
1 514 . 18 1 1 A 49 49 ASN N N 49 118.695 119.737 -1.042 1
1 516 . 18 1 1 A 50 50 THR H H 50 7.780 7.472 0.308 1
1 517 . 18 1 1 A 50 50 THR HA H 50 4.483 4.458 0.025 1
1 522 . 18 1 1 A 50 50 THR C C 50 173.107 172.942 0.165 1
1 523 . 18 1 1 A 50 50 THR CA C 50 61.094 61.085 0.009 1
1 524 . 18 1 1 A 50 50 THR CB C 50 70.926 69.599 1.327 1
1 526 . 18 1 1 A 50 50 THR N N 50 118.434 116.321 2.113 1
1 527 . 18 1 1 A 51 51 PRO HA H 51 4.485 4.733 -0.248 1
1 534 . 18 1 1 A 51 51 PRO C C 51 178.067 177.692 0.375 1
1 535 . 18 1 1 A 51 51 PRO CA C 51 63.075 63.060 0.015 1
1 536 . 18 1 1 A 51 51 PRO CB C 51 31.996 32.655 -0.659 1
1 539 . 18 1 1 A 52 52 ILE H H 52 8.530 8.307 0.223 1
1 540 . 18 1 1 A 52 52 ILE HA H 52 3.764 3.845 -0.081 1
1 550 . 18 1 1 A 52 52 ILE C C 52 179.363 177.892 1.471 1
1 551 . 18 1 1 A 52 52 ILE CA C 52 64.855 64.031 0.824 1
1 552 . 18 1 1 A 52 52 ILE CB C 52 38.109 37.691 0.418 1
1 556 . 18 1 1 A 52 52 ILE N N 52 125.501 122.824 2.677 1
1 557 . 18 1 1 A 53 53 LYS H H 53 8.603 8.046 0.557 1
1 558 . 18 1 1 A 53 53 LYS HA H 53 4.180 4.232 -0.052 1
1 567 . 18 1 1 A 53 53 LYS C C 53 177.113 177.568 -0.455 1
1 568 . 18 1 1 A 53 53 LYS CA C 53 57.816 58.554 -0.738 1
1 569 . 18 1 1 A 53 53 LYS CB C 53 31.992 32.194 -0.202 1
1 573 . 18 1 1 A 53 53 LYS N N 53 117.464 120.111 -2.647 1
1 574 . 18 1 1 A 54 54 ARG H H 54 7.479 7.688 -0.209 1
1 575 . 18 1 1 A 54 54 ARG HA H 54 4.361 4.356 0.005 1
1 582 . 18 1 1 A 54 54 ARG C C 54 175.507 176.072 -0.565 1
1 583 . 18 1 1 A 54 54 ARG CA C 54 56.051 56.676 -0.625 1
1 584 . 18 1 1 A 54 54 ARG CB C 54 31.559 30.843 0.716 1
1 587 . 18 1 1 A 54 54 ARG N N 54 114.601 116.647 -2.046 1
1 588 . 18 1 1 A 55 55 MET H H 55 7.479 7.667 -0.188 1
1 589 . 18 1 1 A 55 55 MET HA H 55 4.435 5.083 -0.648 1
1 597 . 18 1 1 A 55 55 MET C C 55 175.276 175.285 -0.009 1
1 598 . 18 1 1 A 55 55 MET CA C 55 57.365 53.593 3.772 1
1 599 . 18 1 1 A 55 55 MET CB C 55 35.142 34.560 0.582 1
1 602 . 18 1 1 A 55 55 MET N N 55 116.986 116.536 0.450 1
1 603 . 18 1 1 A 56 56 GLN H H 56 8.958 8.913 0.045 1
1 604 . 18 1 1 A 56 56 GLN HA H 56 4.502 4.966 -0.464 1
1 611 . 18 1 1 A 56 56 GLN C C 56 173.429 174.597 -1.168 1
1 612 . 18 1 1 A 56 56 GLN CA C 56 54.982 54.478 0.504 1
1 613 . 18 1 1 A 56 56 GLN CB C 56 32.420 31.935 0.485 1
1 615 . 18 1 1 A 56 56 GLN N N 56 124.094 122.435 1.659 1
1 617 . 18 1 1 A 57 57 LEU H H 57 8.603 8.625 -0.022 1
1 618 . 18 1 1 A 57 57 LEU HA H 57 5.190 5.019 0.171 1
1 628 . 18 1 1 A 57 57 LEU C C 57 175.421 175.691 -0.270 1
1 629 . 18 1 1 A 57 57 LEU CA C 57 53.437 53.908 -0.471 1
1 630 . 18 1 1 A 57 57 LEU CB C 57 44.367 43.231 1.136 1
1 634 . 18 1 1 A 57 57 LEU N N 57 124.534 123.990 0.544 1
1 635 . 18 1 1 A 58 58 TYR H H 58 9.319 9.244 0.075 1
1 636 . 18 1 1 A 58 58 TYR HA H 58 5.145 5.406 -0.261 1
1 643 . 18 1 1 A 58 58 TYR C C 58 174.821 174.416 0.405 1
1 644 . 18 1 1 A 58 58 TYR CA C 58 56.503 56.683 -0.180 1
1 645 . 18 1 1 A 58 58 TYR CB C 58 43.323 42.229 1.094 1
1 648 . 18 1 1 A 58 58 TYR N N 58 119.746 122.503 -2.757 1
1 649 . 18 1 1 A 59 59 TYR H H 59 8.993 9.333 -0.340 1
1 650 . 18 1 1 A 59 59 TYR HA H 59 5.173 4.978 0.195 1
1 657 . 18 1 1 A 59 59 TYR C C 59 174.980 175.096 -0.116 1
1 658 . 18 1 1 A 59 59 TYR CA C 59 55.625 57.490 -1.865 1
1 659 . 18 1 1 A 59 59 TYR CB C 59 41.981 41.589 0.392 1
1 662 . 18 1 1 A 59 59 TYR N N 59 120.286 124.529 -4.243 1
1 663 . 18 1 1 A 60 60 SER H H 60 9.320 9.238 0.082 1
1 664 . 18 1 1 A 60 60 SER HA H 60 3.668 3.982 -0.314 1
1 667 . 18 1 1 A 60 60 SER C C 60 174.893 173.559 1.334 1
1 668 . 18 1 1 A 60 60 SER CA C 60 57.815 59.039 -1.224 1
1 669 . 18 1 1 A 60 60 SER CB C 60 62.602 61.763 0.839 1
1 670 . 18 1 1 A 60 60 SER N N 60 125.263 123.398 1.865 1
1 671 . 18 1 1 A 61 61 GLY H H 61 8.649 8.419 0.230 1
1 672 . 18 1 1 A 61 61 GLY HA2 H 61 4.035 3.881 0.154 1
1 673 . 18 1 1 A 61 61 GLY HA3 H 61 3.409 3.937 -0.528 1
1 674 . 18 1 1 A 61 61 GLY C C 61 173.346 174.020 -0.674 1
1 675 . 18 1 1 A 61 61 GLY CA C 61 44.726 45.071 -0.345 1
1 676 . 18 1 1 A 62 62 ILE H H 62 8.128 7.935 0.193 1
1 677 . 18 1 1 A 62 62 ILE HA H 62 4.304 4.068 0.236 1
1 687 . 18 1 1 A 62 62 ILE C C 62 174.950 175.278 -0.328 1
1 688 . 18 1 1 A 62 62 ILE CA C 62 59.396 60.111 -0.715 1
1 689 . 18 1 1 A 62 62 ILE CB C 62 39.110 36.881 2.229 1
1 693 . 18 1 1 A 62 62 ILE N N 62 123.077 123.320 -0.243 1
1 694 . 18 1 1 A 63 63 GLU H H 63 8.697 8.836 -0.139 1
1 695 . 18 1 1 A 63 63 GLU HA H 63 3.534 4.031 -0.497 1
1 700 . 18 1 1 A 63 63 GLU C C 63 177.156 175.034 2.122 1
1 701 . 18 1 1 A 63 63 GLU CA C 63 55.231 55.562 -0.331 1
1 702 . 18 1 1 A 63 63 GLU CB C 63 29.804 29.812 -0.008 1
1 704 . 18 1 1 A 63 63 GLU N N 63 127.682 127.697 -0.015 1
1 705 . 18 1 1 A 64 64 LEU H H 64 8.791 9.018 -0.227 1
1 706 . 18 1 1 A 64 64 LEU HA H 64 3.954 4.095 -0.141 1
1 716 . 18 1 1 A 64 64 LEU C C 64 176.428 176.459 -0.031 1
1 717 . 18 1 1 A 64 64 LEU CA C 64 52.211 54.187 -1.976 1
1 718 . 18 1 1 A 64 64 LEU CB C 64 37.239 39.703 -2.464 1
1 722 . 18 1 1 A 64 64 LEU N N 64 130.005 128.644 1.361 1
1 723 . 18 1 1 A 65 65 ALA H H 65 7.369 7.851 -0.482 1
1 724 . 18 1 1 A 65 65 ALA HA H 65 4.052 4.362 -0.310 1
1 728 . 18 1 1 A 65 65 ALA C C 65 176.322 177.049 -0.727 1
1 729 . 18 1 1 A 65 65 ALA CA C 65 53.207 52.277 0.930 1
1 730 . 18 1 1 A 65 65 ALA CB C 65 20.170 19.956 0.214 1
1 731 . 18 1 1 A 65 65 ALA N N 65 124.744 126.142 -1.398 1
1 732 . 18 1 1 A 66 66 ASP H H 66 7.472 7.431 0.041 1
1 733 . 18 1 1 A 66 66 ASP HA H 66 4.857 4.452 0.405 1
1 736 . 18 1 1 A 66 66 ASP C C 66 175.635 175.784 -0.149 1
1 737 . 18 1 1 A 66 66 ASP CA C 66 52.192 54.018 -1.826 1
1 738 . 18 1 1 A 66 66 ASP CB C 66 41.603 40.384 1.219 1
1 739 . 18 1 1 A 66 66 ASP N N 66 117.457 117.981 -0.524 1
1 740 . 18 1 1 A 67 67 ASP H H 67 8.541 8.667 -0.126 1
1 741 . 18 1 1 A 67 67 ASP HA H 67 4.209 4.258 -0.049 1
1 744 . 18 1 1 A 67 67 ASP C C 67 176.292 177.364 -1.072 1
1 745 . 18 1 1 A 67 67 ASP CA C 67 56.925 56.947 -0.022 1
1 746 . 18 1 1 A 67 67 ASP CB C 67 40.835 40.336 0.499 1
1 747 . 18 1 1 A 67 67 ASP N N 67 124.544 125.212 -0.668 1
1 748 . 18 1 1 A 68 68 TYR H H 68 7.701 7.428 0.273 1
1 749 . 18 1 1 A 68 68 TYR HA H 68 4.589 4.465 0.124 1
1 756 . 18 1 1 A 68 68 TYR C C 68 175.742 176.000 -0.258 1
1 757 . 18 1 1 A 68 68 TYR CA C 68 56.622 58.166 -1.544 1
1 758 . 18 1 1 A 68 68 TYR CB C 68 37.607 38.388 -0.781 1
1 761 . 18 1 1 A 68 68 TYR N N 68 112.752 116.457 -3.705 1
1 762 . 18 1 1 A 69 69 ARG H H 69 7.182 7.226 -0.044 1
1 763 . 18 1 1 A 69 69 ARG HA H 69 4.245 4.594 -0.349 1
1 771 . 18 1 1 A 69 69 ARG C C 69 175.443 175.677 -0.234 1
1 772 . 18 1 1 A 69 69 ARG CA C 69 56.056 54.979 1.077 1
1 773 . 18 1 1 A 69 69 ARG CB C 69 31.536 31.495 0.041 1
1 776 . 18 1 1 A 69 69 ARG N N 69 122.155 121.620 0.535 1
1 778 . 18 1 1 A 70 70 ASN H H 70 8.749 8.561 0.188 1
1 779 . 18 1 1 A 70 70 ASN HA H 70 5.068 5.186 -0.118 1
1 784 . 18 1 1 A 70 70 ASN C C 70 177.349 175.877 1.472 1
1 785 . 18 1 1 A 70 70 ASN CA C 70 52.528 51.939 0.589 1
1 786 . 18 1 1 A 70 70 ASN CB C 70 39.856 41.388 -1.532 1
1 787 . 18 1 1 A 70 70 ASN N N 70 120.300 119.359 0.941 1
1 789 . 18 1 1 A 71 71 LEU H H 71 8.603 9.287 -0.684 1
1 790 . 18 1 1 A 71 71 LEU HA H 71 3.943 4.122 -0.179 1
1 800 . 18 1 1 A 71 71 LEU C C 71 179.470 178.765 0.705 1
1 801 . 18 1 1 A 71 71 LEU CA C 71 58.074 58.428 -0.354 1
1 802 . 18 1 1 A 71 71 LEU CB C 71 39.446 41.577 -2.131 1
1 806 . 18 1 1 A 71 71 LEU N N 71 118.872 124.188 -5.316 1
1 807 . 18 1 1 A 72 72 ASN H H 72 8.561 8.393 0.168 1
1 808 . 18 1 1 A 72 72 ASN HA H 72 4.394 4.657 -0.263 1
1 813 . 18 1 1 A 72 72 ASN C C 72 178.592 177.428 1.164 1
1 814 . 18 1 1 A 72 72 ASN CA C 72 56.065 55.668 0.397 1
1 815 . 18 1 1 A 72 72 ASN CB C 72 37.663 37.357 0.306 1
1 816 . 18 1 1 A 72 72 ASN N N 72 115.744 116.368 -0.624 1
1 818 . 18 1 1 A 73 73 GLU H H 73 7.979 8.131 -0.152 1
1 819 . 18 1 1 A 73 73 GLU HA H 73 4.041 3.972 0.069 1
1 824 . 18 1 1 A 73 73 GLU C C 73 177.778 177.725 0.053 1
1 825 . 18 1 1 A 73 73 GLU CA C 73 58.680 59.115 -0.435 1
1 826 . 18 1 1 A 73 73 GLU CB C 73 29.114 29.116 -0.002 1
1 828 . 18 1 1 A 73 73 GLU N N 73 121.014 119.866 1.148 1
1 829 . 18 1 1 A 74 74 TYR H H 74 7.500 7.541 -0.041 1
1 830 . 18 1 1 A 74 74 TYR HA H 74 4.567 4.632 -0.065 1
1 837 . 18 1 1 A 74 74 TYR C C 74 175.592 175.976 -0.384 1
1 838 . 18 1 1 A 74 74 TYR CA C 74 58.790 58.067 0.723 1
1 839 . 18 1 1 A 74 74 TYR CB C 74 39.440 38.850 0.590 1
1 842 . 18 1 1 A 74 74 TYR N N 74 115.573 116.655 -1.082 1
1 843 . 18 1 1 A 75 75 GLY H H 75 7.702 8.287 -0.585 1
1 844 . 18 1 1 A 75 75 GLY HA2 H 75 4.274 4.043 0.231 1
1 845 . 18 1 1 A 75 75 GLY HA3 H 75 3.749 4.120 -0.371 1
1 846 . 18 1 1 A 75 75 GLY C C 75 174.007 174.591 -0.584 1
1 847 . 18 1 1 A 75 75 GLY CA C 75 45.133 45.617 -0.484 1
1 848 . 18 1 1 A 75 75 GLY N N 75 105.620 108.444 -2.824 1
1 849 . 18 1 1 A 76 76 ILE H H 76 6.628 7.526 -0.898 1
1 850 . 18 1 1 A 76 76 ILE HA H 76 3.170 3.973 -0.803 1
1 860 . 18 1 1 A 76 76 ILE C C 76 174.607 175.695 -1.088 1
1 861 . 18 1 1 A 76 76 ILE CA C 76 62.037 61.504 0.533 1
1 862 . 18 1 1 A 76 76 ILE CB C 76 36.805 36.949 -0.144 1
1 866 . 18 1 1 A 76 76 ILE N N 76 120.041 122.629 -2.588 1
1 867 . 18 1 1 A 77 77 THR H H 77 8.437 8.940 -0.503 1
1 868 . 18 1 1 A 77 77 THR HA H 77 4.420 4.480 -0.060 1
1 873 . 18 1 1 A 77 77 THR C C 77 172.893 173.865 -0.972 1
1 874 . 18 1 1 A 77 77 THR CA C 77 58.687 63.651 -4.964 1
1 875 . 18 1 1 A 77 77 THR CB C 77 70.917 71.062 -0.145 1
1 877 . 18 1 1 A 77 77 THR N N 77 121.014 123.155 -2.141 1
1 878 . 18 1 1 A 78 78 GLU H H 78 8.235 7.869 0.366 1
1 879 . 18 1 1 A 78 78 GLU HA H 78 4.088 4.579 -0.491 1
1 884 . 18 1 1 A 78 78 GLU C C 78 177.242 175.149 2.093 1
1 885 . 18 1 1 A 78 78 GLU CA C 78 58.254 56.492 1.762 1
1 886 . 18 1 1 A 78 78 GLU CB C 78 29.336 33.066 -3.730 1
1 888 . 18 1 1 A 78 78 GLU N N 78 121.643 119.881 1.762 1
1 889 . 18 1 1 A 79 79 PHE H H 79 9.152 8.133 1.019 1
1 890 . 18 1 1 A 79 79 PHE HA H 79 4.363 4.116 0.247 1
1 895 . 18 1 1 A 79 79 PHE C C 79 176.385 174.527 1.858 1
1 896 . 18 1 1 A 79 79 PHE CA C 79 59.552 59.083 0.469 1
1 897 . 18 1 1 A 79 79 PHE CB C 79 36.282 35.853 0.429 1
1 899 . 18 1 1 A 79 79 PHE N N 79 118.909 122.252 -3.343 1
1 900 . 18 1 1 A 80 80 SER H H 80 8.341 7.829 0.512 1
1 901 . 18 1 1 A 80 80 SER HA H 80 4.576 4.609 -0.033 1
1 904 . 18 1 1 A 80 80 SER C C 80 171.629 173.506 -1.877 1
1 905 . 18 1 1 A 80 80 SER CA C 80 61.398 58.289 3.109 1
1 906 . 18 1 1 A 80 80 SER CB C 80 64.796 63.472 1.324 1
1 907 . 18 1 1 A 80 80 SER N N 80 118.396 113.861 4.535 1
1 908 . 18 1 1 A 81 81 GLU H H 81 8.692 8.855 -0.163 1
1 909 . 18 1 1 A 81 81 GLU HA H 81 5.115 4.612 0.503 1
1 914 . 18 1 1 A 81 81 GLU C C 81 174.993 175.402 -0.409 1
1 915 . 18 1 1 A 81 81 GLU CA C 81 54.749 56.011 -1.262 1
1 916 . 18 1 1 A 81 81 GLU CB C 81 31.666 30.529 1.137 1
1 918 . 18 1 1 A 81 81 GLU N N 81 122.155 124.897 -2.742 1
1 919 . 18 1 1 A 82 82 ILE H H 82 9.335 9.347 -0.012 1
1 920 . 18 1 1 A 82 82 ILE HA H 82 4.796 4.637 0.159 1
1 930 . 18 1 1 A 82 82 ILE C C 82 174.350 174.898 -0.548 1
1 931 . 18 1 1 A 82 82 ILE CA C 82 58.543 59.798 -1.255 1
1 932 . 18 1 1 A 82 82 ILE CB C 82 39.050 37.996 1.054 1
1 936 . 18 1 1 A 82 82 ILE N N 82 127.389 128.429 -1.040 1
1 937 . 18 1 1 A 83 83 VAL H H 83 9.136 9.337 -0.201 1
1 938 . 18 1 1 A 83 83 VAL HA H 83 4.359 4.418 -0.059 1
1 946 . 18 1 1 A 83 83 VAL C C 83 174.971 175.075 -0.104 1
1 947 . 18 1 1 A 83 83 VAL CA C 83 61.756 61.841 -0.085 1
1 948 . 18 1 1 A 83 83 VAL CB C 83 33.537 31.405 2.132 1
1 951 . 18 1 1 A 83 83 VAL N N 83 128.322 128.439 -0.117 1
1 952 . 18 1 1 A 84 84 VAL H H 84 8.019 8.875 -0.856 1
1 953 . 18 1 1 A 84 84 VAL HA H 84 4.524 4.705 -0.181 1
1 961 . 18 1 1 A 84 84 VAL C C 84 175.090 175.189 -0.099 1
1 962 . 18 1 1 A 84 84 VAL CA C 84 61.268 61.676 -0.408 1
1 963 . 18 1 1 A 84 84 VAL CB C 84 32.543 30.892 1.651 1
1 966 . 18 1 1 A 84 84 VAL N N 84 125.746 128.302 -2.556 1
1 967 . 18 1 1 A 85 85 PHE H H 85 9.165 9.130 0.035 1
1 968 . 18 1 1 A 85 85 PHE HA H 85 4.795 4.947 -0.152 1
1 976 . 18 1 1 A 85 85 PHE C C 85 174.414 174.993 -0.579 1
1 977 . 18 1 1 A 85 85 PHE CA C 85 55.636 57.304 -1.668 1
1 978 . 18 1 1 A 85 85 PHE CB C 85 41.618 40.037 1.581 1
1 982 . 18 1 1 A 85 85 PHE N N 85 126.921 127.174 -0.253 1
1 983 . 18 1 1 A 86 86 LEU H H 86 8.314 9.055 -0.741 1
1 984 . 18 1 1 A 86 86 LEU HA H 86 5.103 4.497 0.606 1
1 994 . 18 1 1 A 86 86 LEU C C 86 177.221 176.955 0.266 1
1 995 . 18 1 1 A 86 86 LEU CA C 86 52.667 54.511 -1.844 1
1 996 . 18 1 1 A 86 86 LEU CB C 86 42.493 41.374 1.119 1
1 1000 . 18 1 1 A 86 86 LEU N N 86 122.166 126.669 -4.503 1
1 1001 . 18 1 1 A 87 87 LYS H H 87 9.006 8.837 0.169 1
1 1002 . 18 1 1 A 87 87 LYS HA H 87 4.276 4.565 -0.289 1
1 1011 . 18 1 1 A 87 87 LYS C C 87 176.685 176.284 0.401 1
1 1012 . 18 1 1 A 87 87 LYS CA C 87 56.069 56.477 -0.408 1
1 1013 . 18 1 1 A 87 87 LYS CB C 87 33.751 33.234 0.517 1
1 1017 . 18 1 1 A 87 87 LYS N N 87 124.552 125.141 -0.589 1
1 1018 . 18 1 1 A 88 88 SER H H 88 8.640 7.268 1.372 1
1 1019 . 18 1 1 A 88 88 SER HA H 88 4.461 4.687 -0.226 1
1 1022 . 18 1 1 A 88 88 SER C C 88 174.671 172.693 1.978 1
1 1023 . 18 1 1 A 88 88 SER CA C 88 58.244 57.301 0.943 1
1 1024 . 18 1 1 A 88 88 SER CB C 88 63.518 64.808 -1.290 1
1 1025 . 18 1 1 A 88 88 SER N N 88 118.741 112.017 6.724 1
1 1026 . 18 1 1 A 89 89 ILE H H 89 8.401 8.461 -0.060 1
1 1027 . 18 1 1 A 89 89 ILE HA H 89 4.173 4.633 -0.460 1
1 1037 . 18 1 1 A 89 89 ILE C C 89 175.828 175.699 0.129 1
1 1038 . 18 1 1 A 89 89 ILE CA C 89 61.240 60.108 1.132 1
1 1039 . 18 1 1 A 89 89 ILE CB C 89 38.930 38.417 0.513 1
1 1043 . 18 1 1 A 89 89 ILE N N 89 122.196 123.358 -1.162 1
1 1044 . 18 1 1 A 90 90 ASN H H 90 8.479 7.267 1.212 1
1 1045 . 18 1 1 A 90 90 ASN HA H 90 4.709 4.726 -0.017 1
1 1050 . 18 1 1 A 90 90 ASN C C 90 174.971 174.757 0.214 1
1 1051 . 18 1 1 A 90 90 ASN CA C 90 52.863 53.056 -0.193 1
1 1052 . 18 1 1 A 90 90 ASN CB C 90 38.726 39.388 -0.662 1
1 1053 . 18 1 1 A 90 90 ASN N N 90 122.645 121.779 0.866 1
1 1055 . 18 1 1 A 91 91 ARG H H 91 8.340 8.854 -0.514 1
1 1056 . 18 1 1 A 91 91 ARG HA H 91 4.321 4.421 -0.100 1
1 1063 . 18 1 1 A 91 91 ARG C C 91 175.850 176.223 -0.373 1
1 1064 . 18 1 1 A 91 91 ARG CA C 91 55.708 55.950 -0.242 1
1 1065 . 18 1 1 A 91 91 ARG CB C 91 30.704 31.009 -0.305 1
1 1068 . 18 1 1 A 91 91 ARG N N 91 122.190 123.435 -1.245 1
1 1069 . 18 1 1 A 92 92 ALA H H 92 8.310 8.345 -0.035 1
1 1070 . 18 1 1 A 92 92 ALA HA H 92 4.292 4.504 -0.212 1
1 1074 . 18 1 1 A 92 92 ALA C C 92 177.456 177.933 -0.477 1
1 1075 . 18 1 1 A 92 92 ALA CA C 92 52.524 52.000 0.524 1
1 1076 . 18 1 1 A 92 92 ALA CB C 92 19.254 20.792 -1.538 1
1 1077 . 18 1 1 A 92 92 ALA N N 92 125.492 124.050 1.442 1
1 1078 . 18 1 1 A 93 93 LYS H H 93 8.189 8.022 0.167 1
1 1079 . 18 1 1 A 93 93 LYS HA H 93 4.318 4.565 -0.247 1
1 1088 . 18 1 1 A 93 93 LYS C C 93 175.357 174.999 0.358 1
1 1089 . 18 1 1 A 93 93 LYS CA C 93 56.059 55.515 0.544 1
1 1090 . 18 1 1 A 93 93 LYS CB C 93 33.101 32.372 0.729 1
1 1094 . 18 1 1 A 93 93 LYS N N 93 120.307 115.059 5.248 1
1 1 . 19 1 1 A 11 11 ALA HA H 11 4.252 4.335 -0.083 1
1 5 . 19 1 1 A 11 11 ALA CA C 11 52.471 51.484 0.987 1
1 6 . 19 1 1 A 11 11 ALA CB C 11 19.020 19.421 -0.401 1
1 7 . 19 1 1 A 12 12 ALA H H 12 8.179 7.847 0.332 1
1 8 . 19 1 1 A 12 12 ALA HA H 12 4.291 4.393 -0.102 1
1 12 . 19 1 1 A 12 12 ALA C C 12 177.662 177.700 -0.038 1
1 13 . 19 1 1 A 12 12 ALA CA C 12 52.444 51.757 0.687 1
1 14 . 19 1 1 A 12 12 ALA CB C 12 18.943 19.043 -0.100 1
1 15 . 19 1 1 A 12 12 ALA N N 12 123.114 120.862 2.252 1
1 16 . 19 1 1 A 13 13 VAL H H 13 8.006 7.382 0.624 1
1 17 . 19 1 1 A 13 13 VAL HA H 13 4.100 4.087 0.013 1
1 25 . 19 1 1 A 13 13 VAL C C 13 175.990 176.054 -0.064 1
1 26 . 19 1 1 A 13 13 VAL CA C 13 62.182 62.084 0.098 1
1 27 . 19 1 1 A 13 13 VAL CB C 13 32.442 32.310 0.132 1
1 29 . 19 1 1 A 13 13 VAL N N 13 119.213 119.411 -0.198 1
1 30 . 19 1 1 A 14 14 ARG H H 14 8.329 8.343 -0.014 1
1 31 . 19 1 1 A 14 14 ARG HA H 14 4.344 4.540 -0.196 1
1 38 . 19 1 1 A 14 14 ARG C C 14 175.844 174.663 1.181 1
1 39 . 19 1 1 A 14 14 ARG CA C 14 56.071 55.614 0.457 1
1 40 . 19 1 1 A 14 14 ARG CB C 14 31.099 30.705 0.394 1
1 43 . 19 1 1 A 14 14 ARG N N 14 125.039 125.333 -0.294 1
1 44 . 19 1 1 A 15 15 LYS H H 15 8.147 8.767 -0.620 1
1 45 . 19 1 1 A 15 15 LYS HA H 15 4.552 4.621 -0.069 1
1 54 . 19 1 1 A 15 15 LYS C C 15 176.186 176.156 0.030 1
1 55 . 19 1 1 A 15 15 LYS CA C 15 55.632 55.806 -0.174 1
1 56 . 19 1 1 A 15 15 LYS CB C 15 33.543 33.626 -0.083 1
1 60 . 19 1 1 A 15 15 LYS N N 15 121.711 124.788 -3.077 1
1 61 . 19 1 1 A 16 16 ILE H H 16 8.764 9.261 -0.497 1
1 62 . 19 1 1 A 16 16 ILE HA H 16 4.508 4.964 -0.456 1
1 72 . 19 1 1 A 16 16 ILE C C 16 174.333 174.008 0.325 1
1 73 . 19 1 1 A 16 16 ILE CA C 16 59.343 59.031 0.312 1
1 74 . 19 1 1 A 16 16 ILE CB C 16 41.575 40.562 1.013 1
1 78 . 19 1 1 A 16 16 ILE N N 16 116.484 119.065 -2.581 1
1 79 . 19 1 1 A 17 17 HIS H H 17 8.659 9.183 -0.524 1
1 80 . 19 1 1 A 17 17 HIS HA H 17 5.130 5.201 -0.071 1
1 85 . 19 1 1 A 17 17 HIS C C 17 174.788 174.837 -0.049 1
1 86 . 19 1 1 A 17 17 HIS CA C 17 55.562 54.506 1.056 1
1 87 . 19 1 1 A 17 17 HIS CB C 17 30.047 30.525 -0.478 1
1 90 . 19 1 1 A 17 17 HIS N N 17 119.826 120.980 -1.154 1
1 93 . 19 1 1 A 18 18 VAL H H 18 8.788 8.808 -0.020 1
1 94 . 19 1 1 A 18 18 VAL HA H 18 4.681 4.779 -0.098 1
1 102 . 19 1 1 A 18 18 VAL C C 18 174.631 175.163 -0.532 1
1 103 . 19 1 1 A 18 18 VAL CA C 18 59.568 60.926 -1.358 1
1 104 . 19 1 1 A 18 18 VAL CB C 18 34.191 33.234 0.957 1
1 107 . 19 1 1 A 18 18 VAL N N 18 117.203 120.231 -3.028 1
1 108 . 19 1 1 A 19 19 THR H H 19 8.746 9.521 -0.775 1
1 109 . 19 1 1 A 19 19 THR HA H 19 4.603 4.695 -0.092 1
1 114 . 19 1 1 A 19 19 THR C C 19 172.422 174.180 -1.758 1
1 115 . 19 1 1 A 19 19 THR CA C 19 62.159 62.270 -0.111 1
1 116 . 19 1 1 A 19 19 THR CB C 19 69.640 69.247 0.393 1
1 118 . 19 1 1 A 19 19 THR N N 19 121.216 122.430 -1.214 1
1 119 . 19 1 1 A 20 20 VAL H H 20 9.268 9.023 0.245 1
1 120 . 19 1 1 A 20 20 VAL HA H 20 4.426 4.342 0.084 1
1 128 . 19 1 1 A 20 20 VAL C C 20 174.013 174.841 -0.828 1
1 129 . 19 1 1 A 20 20 VAL CA C 20 61.312 61.733 -0.421 1
1 130 . 19 1 1 A 20 20 VAL CB C 20 31.567 31.850 -0.283 1
1 133 . 19 1 1 A 20 20 VAL N N 20 128.437 127.774 0.663 1
1 134 . 19 1 1 A 21 21 LYS H H 21 9.147 9.006 0.141 1
1 135 . 19 1 1 A 21 21 LYS HA H 21 4.759 4.739 0.020 1
1 144 . 19 1 1 A 21 21 LYS C C 21 175.935 175.662 0.273 1
1 145 . 19 1 1 A 21 21 LYS CA C 21 55.384 55.288 0.096 1
1 146 . 19 1 1 A 21 21 LYS CB C 21 34.197 33.056 1.141 1
1 150 . 19 1 1 A 21 21 LYS N N 21 126.951 127.964 -1.013 1
1 151 . 19 1 1 A 22 22 PHE H H 22 8.938 8.522 0.416 1
1 152 . 19 1 1 A 22 22 PHE HA H 22 4.846 4.838 0.008 1
1 158 . 19 1 1 A 22 22 PHE C C 22 174.843 175.549 -0.706 1
1 159 . 19 1 1 A 22 22 PHE CA C 22 56.918 55.967 0.951 1
1 160 . 19 1 1 A 22 22 PHE CB C 22 39.021 41.125 -2.104 1
1 163 . 19 1 1 A 22 22 PHE N N 22 127.843 124.259 3.584 1
1 164 . 19 1 1 A 23 23 PRO HA H 23 4.192 4.324 -0.132 1
1 171 . 19 1 1 A 23 23 PRO C C 23 177.813 178.240 -0.427 1
1 172 . 19 1 1 A 23 23 PRO CA C 23 66.150 65.064 1.086 1
1 173 . 19 1 1 A 23 23 PRO CB C 23 31.588 31.896 -0.308 1
1 176 . 19 1 1 A 24 24 SER H H 24 8.115 8.798 -0.683 1
1 177 . 19 1 1 A 24 24 SER HA H 24 4.772 4.511 0.261 1
1 180 . 19 1 1 A 24 24 SER C C 24 173.836 174.908 -1.072 1
1 181 . 19 1 1 A 24 24 SER CA C 24 56.928 61.276 -4.348 1
1 182 . 19 1 1 A 24 24 SER CB C 24 64.789 64.142 0.647 1
1 183 . 19 1 1 A 24 24 SER N N 24 106.127 112.519 -6.392 1
1 184 . 19 1 1 A 25 25 LYS H H 25 7.321 7.804 -0.483 1
1 185 . 19 1 1 A 25 25 LYS HA H 25 4.739 4.786 -0.047 1
1 194 . 19 1 1 A 25 25 LYS C C 25 172.915 174.040 -1.125 1
1 195 . 19 1 1 A 25 25 LYS CA C 25 55.863 54.580 1.283 1
1 196 . 19 1 1 A 25 25 LYS CB C 25 34.621 35.397 -0.776 1
1 200 . 19 1 1 A 25 25 LYS N N 25 118.386 115.046 3.340 1
1 201 . 19 1 1 A 26 26 GLN H H 26 8.566 8.771 -0.205 1
1 202 . 19 1 1 A 26 26 GLN HA H 26 5.708 5.307 0.401 1
1 209 . 19 1 1 A 26 26 GLN C C 26 174.179 174.418 -0.239 1
1 210 . 19 1 1 A 26 26 GLN CA C 26 53.888 54.343 -0.455 1
1 211 . 19 1 1 A 26 26 GLN CB C 26 32.884 32.378 0.506 1
1 213 . 19 1 1 A 26 26 GLN N N 26 117.444 120.490 -3.046 1
1 215 . 19 1 1 A 27 27 PHE H H 27 8.564 8.391 0.173 1
1 216 . 19 1 1 A 27 27 PHE HA H 27 5.085 5.270 -0.185 1
1 224 . 19 1 1 A 27 27 PHE C C 27 173.234 172.427 0.807 1
1 225 . 19 1 1 A 27 27 PHE CA C 27 55.993 56.197 -0.204 1
1 226 . 19 1 1 A 27 27 PHE CB C 27 40.088 41.162 -1.074 1
1 230 . 19 1 1 A 27 27 PHE N N 27 117.565 120.911 -3.346 1
1 231 . 19 1 1 A 28 28 THR H H 28 8.801 8.879 -0.078 1
1 232 . 19 1 1 A 28 28 THR HA H 28 5.419 5.592 -0.173 1
1 237 . 19 1 1 A 28 28 THR C C 28 174.650 173.514 1.136 1
1 238 . 19 1 1 A 28 28 THR CA C 28 61.203 61.474 -0.271 1
1 239 . 19 1 1 A 28 28 THR CB C 28 70.508 71.879 -1.371 1
1 241 . 19 1 1 A 28 28 THR N N 28 115.093 114.585 0.508 1
1 242 . 19 1 1 A 29 29 VAL H H 29 8.983 9.238 -0.255 1
1 243 . 19 1 1 A 29 29 VAL HA H 29 4.549 4.791 -0.242 1
1 251 . 19 1 1 A 29 29 VAL C C 29 173.686 174.785 -1.099 1
1 252 . 19 1 1 A 29 29 VAL CA C 29 60.118 60.723 -0.605 1
1 253 . 19 1 1 A 29 29 VAL CB C 29 35.498 34.988 0.510 1
1 256 . 19 1 1 A 29 29 VAL N N 29 121.743 126.166 -4.423 1
1 257 . 19 1 1 A 30 30 GLU H H 30 8.460 8.703 -0.243 1
1 258 . 19 1 1 A 30 30 GLU HA H 30 4.894 4.770 0.124 1
1 263 . 19 1 1 A 30 30 GLU C C 30 175.807 176.133 -0.326 1
1 264 . 19 1 1 A 30 30 GLU CA C 30 54.922 56.136 -1.214 1
1 265 . 19 1 1 A 30 30 GLU CB C 30 31.123 30.345 0.778 1
1 267 . 19 1 1 A 30 30 GLU N N 30 125.512 127.239 -1.727 1
1 268 . 19 1 1 A 31 31 VAL H H 31 8.917 8.599 0.318 1
1 269 . 19 1 1 A 31 31 VAL HA H 31 4.634 4.739 -0.105 1
1 277 . 19 1 1 A 31 31 VAL C C 31 174.136 173.918 0.218 1
1 278 . 19 1 1 A 31 31 VAL CA C 31 58.299 58.932 -0.633 1
1 279 . 19 1 1 A 31 31 VAL CB C 31 35.067 35.307 -0.240 1
1 282 . 19 1 1 A 31 31 VAL N N 31 118.900 117.559 1.341 1
1 283 . 19 1 1 A 32 32 ASP H H 32 9.032 8.595 0.437 1
1 284 . 19 1 1 A 32 32 ASP HA H 32 4.943 4.397 0.546 1
1 287 . 19 1 1 A 32 32 ASP C C 32 177.992 177.446 0.546 1
1 288 . 19 1 1 A 32 32 ASP CA C 32 53.428 54.656 -1.228 1
1 289 . 19 1 1 A 32 32 ASP CB C 32 42.939 42.595 0.344 1
1 290 . 19 1 1 A 32 32 ASP N N 32 121.708 124.505 -2.797 1
1 291 . 19 1 1 A 33 33 ARG H H 33 8.847 8.379 0.468 1
1 292 . 19 1 1 A 33 33 ARG HA H 33 3.952 4.015 -0.063 1
1 299 . 19 1 1 A 33 33 ARG C C 33 176.257 176.467 -0.210 1
1 300 . 19 1 1 A 33 33 ARG CA C 33 59.113 58.149 0.964 1
1 301 . 19 1 1 A 33 33 ARG CB C 33 30.011 29.630 0.381 1
1 304 . 19 1 1 A 33 33 ARG N N 33 121.873 124.286 -2.413 1
1 305 . 19 1 1 A 34 34 THR H H 34 8.058 8.195 -0.137 1
1 306 . 19 1 1 A 34 34 THR HA H 34 4.350 4.440 -0.090 1
1 311 . 19 1 1 A 34 34 THR C C 34 174.371 174.473 -0.102 1
1 312 . 19 1 1 A 34 34 THR CA C 34 60.432 61.903 -1.471 1
1 313 . 19 1 1 A 34 34 THR CB C 34 68.739 69.338 -0.599 1
1 315 . 19 1 1 A 34 34 THR N N 34 104.720 108.899 -4.179 1
1 316 . 19 1 1 A 35 35 GLU H H 35 7.473 7.703 -0.230 1
1 317 . 19 1 1 A 35 35 GLU HA H 35 4.239 4.289 -0.050 1
1 322 . 19 1 1 A 35 35 GLU C C 35 176.021 175.905 0.116 1
1 323 . 19 1 1 A 35 35 GLU CA C 35 56.921 56.526 0.395 1
1 324 . 19 1 1 A 35 35 GLU CB C 35 31.086 30.313 0.773 1
1 326 . 19 1 1 A 35 35 GLU N N 35 123.129 123.853 -0.724 1
1 327 . 19 1 1 A 36 36 THR H H 36 8.432 8.646 -0.214 1
1 328 . 19 1 1 A 36 36 THR HA H 36 4.987 5.031 -0.044 1
1 333 . 19 1 1 A 36 36 THR C C 36 175.939 176.247 -0.308 1
1 334 . 19 1 1 A 36 36 THR CA C 36 60.249 60.872 -0.623 1
1 335 . 19 1 1 A 36 36 THR CB C 36 71.783 70.794 0.989 1
1 337 . 19 1 1 A 36 36 THR N N 36 112.476 115.691 -3.215 1
1 338 . 19 1 1 A 37 37 VAL H H 37 8.087 8.900 -0.813 1
1 339 . 19 1 1 A 37 37 VAL HA H 37 3.411 3.672 -0.261 1
1 347 . 19 1 1 A 37 37 VAL C C 37 178.249 177.750 0.499 1
1 348 . 19 1 1 A 37 37 VAL CA C 37 67.397 66.632 0.765 1
1 349 . 19 1 1 A 37 37 VAL CB C 37 31.567 31.367 0.200 1
1 352 . 19 1 1 A 37 37 VAL N N 37 121.215 122.883 -1.668 1
1 353 . 19 1 1 A 38 38 SER H H 38 8.863 8.037 0.826 1
1 354 . 19 1 1 A 38 38 SER HA H 38 4.760 4.291 0.469 1
1 357 . 19 1 1 A 38 38 SER C C 38 176.814 176.948 -0.134 1
1 358 . 19 1 1 A 38 38 SER CA C 38 57.746 61.464 -3.718 1
1 359 . 19 1 1 A 38 38 SER CB C 38 62.627 63.136 -0.509 1
1 360 . 19 1 1 A 38 38 SER N N 38 112.752 116.343 -3.591 1
1 361 . 19 1 1 A 39 39 SER H H 39 7.999 7.740 0.259 1
1 362 . 19 1 1 A 39 39 SER HA H 39 4.318 4.310 0.008 1
1 365 . 19 1 1 A 39 39 SER C C 39 177.692 177.174 0.518 1
1 366 . 19 1 1 A 39 39 SER CA C 39 61.338 61.208 0.130 1
1 367 . 19 1 1 A 39 39 SER CB C 39 62.349 63.057 -0.708 1
1 368 . 19 1 1 A 39 39 SER N N 39 117.918 115.668 2.250 1
1 369 . 19 1 1 A 40 40 LEU H H 40 8.227 8.133 0.094 1
1 370 . 19 1 1 A 40 40 LEU HA H 40 4.104 4.054 0.050 1
1 380 . 19 1 1 A 40 40 LEU C C 40 178.420 178.620 -0.200 1
1 381 . 19 1 1 A 40 40 LEU CA C 40 58.235 58.324 -0.089 1
1 382 . 19 1 1 A 40 40 LEU CB C 40 40.797 41.785 -0.988 1
1 386 . 19 1 1 A 40 40 LEU N N 40 123.592 122.958 0.634 1
1 387 . 19 1 1 A 41 41 LYS H H 41 8.470 8.049 0.421 1
1 388 . 19 1 1 A 41 41 LYS HA H 41 3.824 4.152 -0.328 1
1 397 . 19 1 1 A 41 41 LYS C C 41 178.476 179.039 -0.563 1
1 398 . 19 1 1 A 41 41 LYS CA C 41 61.313 59.834 1.479 1
1 399 . 19 1 1 A 41 41 LYS CB C 41 32.414 31.973 0.441 1
1 403 . 19 1 1 A 41 41 LYS N N 41 118.401 118.440 -0.039 1
1 404 . 19 1 1 A 42 42 ASP H H 42 7.956 8.135 -0.179 1
1 405 . 19 1 1 A 42 42 ASP HA H 42 4.447 4.322 0.125 1
1 408 . 19 1 1 A 42 42 ASP C C 42 178.806 178.849 -0.043 1
1 409 . 19 1 1 A 42 42 ASP CA C 42 57.802 57.640 0.162 1
1 410 . 19 1 1 A 42 42 ASP CB C 42 40.585 42.185 -1.600 1
1 411 . 19 1 1 A 42 42 ASP N N 42 119.295 119.722 -0.427 1
1 412 . 19 1 1 A 43 43 LYS H H 43 8.024 7.795 0.229 1
1 413 . 19 1 1 A 43 43 LYS HA H 43 4.039 4.091 -0.052 1
1 422 . 19 1 1 A 43 43 LYS C C 43 179.941 179.681 0.260 1
1 423 . 19 1 1 A 43 43 LYS CA C 43 60.014 59.737 0.277 1
1 424 . 19 1 1 A 43 43 LYS CB C 43 32.865 32.577 0.288 1
1 428 . 19 1 1 A 43 43 LYS N N 43 119.784 117.907 1.877 1
1 429 . 19 1 1 A 44 44 ILE H H 44 8.480 8.037 0.443 1
1 430 . 19 1 1 A 44 44 ILE HA H 44 3.702 3.833 -0.131 1
1 440 . 19 1 1 A 44 44 ILE C C 44 177.328 178.351 -1.023 1
1 441 . 19 1 1 A 44 44 ILE CA C 44 65.725 65.340 0.385 1
1 442 . 19 1 1 A 44 44 ILE CB C 44 38.110 37.607 0.503 1
1 446 . 19 1 1 A 44 44 ILE N N 44 119.363 120.416 -1.053 1
1 447 . 19 1 1 A 45 45 HIS H H 45 8.635 8.545 0.090 1
1 448 . 19 1 1 A 45 45 HIS HA H 45 4.471 4.354 0.117 1
1 453 . 19 1 1 A 45 45 HIS C C 45 176.407 177.251 -0.844 1
1 454 . 19 1 1 A 45 45 HIS CA C 45 58.451 59.737 -1.286 1
1 455 . 19 1 1 A 45 45 HIS CB C 45 28.055 29.710 -1.655 1
1 458 . 19 1 1 A 45 45 HIS N N 45 118.889 119.728 -0.839 1
1 461 . 19 1 1 A 46 46 ILE H H 46 7.868 7.617 0.251 1
1 462 . 19 1 1 A 46 46 ILE HA H 46 3.571 3.612 -0.041 1
1 472 . 19 1 1 A 46 46 ILE C C 46 177.371 178.311 -0.940 1
1 473 . 19 1 1 A 46 46 ILE CA C 46 63.925 64.110 -0.185 1
1 474 . 19 1 1 A 46 46 ILE CB C 46 37.704 37.674 0.030 1
1 478 . 19 1 1 A 46 46 ILE N N 46 118.414 119.418 -1.004 1
1 479 . 19 1 1 A 47 47 VAL H H 47 7.223 7.747 -0.524 1
1 480 . 19 1 1 A 47 47 VAL HA H 47 3.684 3.631 0.053 1
1 488 . 19 1 1 A 47 47 VAL C C 47 176.706 175.556 1.150 1
1 489 . 19 1 1 A 47 47 VAL CA C 47 64.807 65.993 -1.186 1
1 490 . 19 1 1 A 47 47 VAL CB C 47 32.209 32.053 0.156 1
1 493 . 19 1 1 A 47 47 VAL N N 47 116.982 118.292 -1.310 1
1 494 . 19 1 1 A 48 48 GLU H H 48 8.090 8.370 -0.280 1
1 495 . 19 1 1 A 48 48 GLU HA H 48 4.271 4.520 -0.249 1
1 500 . 19 1 1 A 48 48 GLU C C 48 176.042 175.358 0.684 1
1 501 . 19 1 1 A 48 48 GLU CA C 48 55.062 55.125 -0.063 1
1 502 . 19 1 1 A 48 48 GLU CB C 48 31.544 31.103 0.441 1
1 504 . 19 1 1 A 48 48 GLU N N 48 118.849 118.147 0.702 1
1 505 . 19 1 1 A 49 49 ASN H H 49 8.113 8.787 -0.674 1
1 506 . 19 1 1 A 49 49 ASN HA H 49 4.137 4.569 -0.432 1
1 511 . 19 1 1 A 49 49 ASN C C 49 174.993 174.008 0.985 1
1 512 . 19 1 1 A 49 49 ASN CA C 49 54.287 52.332 1.955 1
1 513 . 19 1 1 A 49 49 ASN CB C 49 37.647 36.776 0.871 1
1 514 . 19 1 1 A 49 49 ASN N N 49 118.695 124.865 -6.170 1
1 516 . 19 1 1 A 50 50 THR H H 50 7.780 8.066 -0.286 1
1 517 . 19 1 1 A 50 50 THR HA H 50 4.483 4.794 -0.311 1
1 522 . 19 1 1 A 50 50 THR C C 50 173.107 172.418 0.689 1
1 523 . 19 1 1 A 50 50 THR CA C 50 61.094 59.131 1.963 1
1 524 . 19 1 1 A 50 50 THR CB C 50 70.926 72.325 -1.399 1
1 526 . 19 1 1 A 50 50 THR N N 50 118.434 118.695 -0.261 1
1 527 . 19 1 1 A 51 51 PRO HA H 51 4.485 4.691 -0.206 1
1 534 . 19 1 1 A 51 51 PRO C C 51 178.067 177.981 0.086 1
1 535 . 19 1 1 A 51 51 PRO CA C 51 63.075 63.211 -0.136 1
1 536 . 19 1 1 A 51 51 PRO CB C 51 31.996 32.561 -0.565 1
1 539 . 19 1 1 A 52 52 ILE H H 52 8.530 8.427 0.103 1
1 540 . 19 1 1 A 52 52 ILE HA H 52 3.764 3.936 -0.172 1
1 550 . 19 1 1 A 52 52 ILE C C 52 179.363 177.909 1.454 1
1 551 . 19 1 1 A 52 52 ILE CA C 52 64.855 63.716 1.139 1
1 552 . 19 1 1 A 52 52 ILE CB C 52 38.109 37.198 0.911 1
1 556 . 19 1 1 A 52 52 ILE N N 52 125.501 122.905 2.596 1
1 557 . 19 1 1 A 53 53 LYS H H 53 8.603 8.009 0.594 1
1 558 . 19 1 1 A 53 53 LYS HA H 53 4.180 4.110 0.070 1
1 567 . 19 1 1 A 53 53 LYS C C 53 177.113 178.463 -1.350 1
1 568 . 19 1 1 A 53 53 LYS CA C 53 57.816 59.527 -1.711 1
1 569 . 19 1 1 A 53 53 LYS CB C 53 31.992 31.995 -0.003 1
1 573 . 19 1 1 A 53 53 LYS N N 53 117.464 121.487 -4.023 1
1 574 . 19 1 1 A 54 54 ARG H H 54 7.479 7.538 -0.059 1
1 575 . 19 1 1 A 54 54 ARG HA H 54 4.361 4.683 -0.322 1
1 582 . 19 1 1 A 54 54 ARG C C 54 175.507 176.266 -0.759 1
1 583 . 19 1 1 A 54 54 ARG CA C 54 56.051 57.831 -1.780 1
1 584 . 19 1 1 A 54 54 ARG CB C 54 31.559 31.293 0.266 1
1 587 . 19 1 1 A 54 54 ARG N N 54 114.601 117.305 -2.704 1
1 588 . 19 1 1 A 55 55 MET H H 55 7.479 7.426 0.053 1
1 589 . 19 1 1 A 55 55 MET HA H 55 4.435 4.514 -0.079 1
1 597 . 19 1 1 A 55 55 MET C C 55 175.276 175.371 -0.095 1
1 598 . 19 1 1 A 55 55 MET CA C 55 57.365 54.841 2.524 1
1 599 . 19 1 1 A 55 55 MET CB C 55 35.142 33.349 1.793 1
1 602 . 19 1 1 A 55 55 MET N N 55 116.986 116.919 0.067 1
1 603 . 19 1 1 A 56 56 GLN H H 56 8.958 9.156 -0.198 1
1 604 . 19 1 1 A 56 56 GLN HA H 56 4.502 5.035 -0.533 1
1 611 . 19 1 1 A 56 56 GLN C C 56 173.429 174.694 -1.265 1
1 612 . 19 1 1 A 56 56 GLN CA C 56 54.982 54.327 0.655 1
1 613 . 19 1 1 A 56 56 GLN CB C 56 32.420 32.119 0.301 1
1 615 . 19 1 1 A 56 56 GLN N N 56 124.094 125.258 -1.164 1
1 617 . 19 1 1 A 57 57 LEU H H 57 8.603 8.488 0.115 1
1 618 . 19 1 1 A 57 57 LEU HA H 57 5.190 5.070 0.120 1
1 628 . 19 1 1 A 57 57 LEU C C 57 175.421 175.818 -0.397 1
1 629 . 19 1 1 A 57 57 LEU CA C 57 53.437 53.955 -0.518 1
1 630 . 19 1 1 A 57 57 LEU CB C 57 44.367 43.342 1.025 1
1 634 . 19 1 1 A 57 57 LEU N N 57 124.534 127.248 -2.714 1
1 635 . 19 1 1 A 58 58 TYR H H 58 9.319 9.321 -0.002 1
1 636 . 19 1 1 A 58 58 TYR HA H 58 5.145 5.138 0.007 1
1 643 . 19 1 1 A 58 58 TYR C C 58 174.821 174.446 0.375 1
1 644 . 19 1 1 A 58 58 TYR CA C 58 56.503 56.878 -0.375 1
1 645 . 19 1 1 A 58 58 TYR CB C 58 43.323 42.657 0.666 1
1 648 . 19 1 1 A 58 58 TYR N N 58 119.746 121.676 -1.930 1
1 649 . 19 1 1 A 59 59 TYR H H 59 8.993 9.718 -0.725 1
1 650 . 19 1 1 A 59 59 TYR HA H 59 5.173 5.001 0.172 1
1 657 . 19 1 1 A 59 59 TYR C C 59 174.980 175.471 -0.491 1
1 658 . 19 1 1 A 59 59 TYR CA C 59 55.625 57.384 -1.759 1
1 659 . 19 1 1 A 59 59 TYR CB C 59 41.981 41.464 0.517 1
1 662 . 19 1 1 A 59 59 TYR N N 59 120.286 124.995 -4.709 1
1 663 . 19 1 1 A 60 60 SER H H 60 9.320 8.964 0.356 1
1 664 . 19 1 1 A 60 60 SER HA H 60 3.668 4.171 -0.503 1
1 667 . 19 1 1 A 60 60 SER C C 60 174.893 174.386 0.507 1
1 668 . 19 1 1 A 60 60 SER CA C 60 57.815 60.092 -2.277 1
1 669 . 19 1 1 A 60 60 SER CB C 60 62.602 62.487 0.115 1
1 670 . 19 1 1 A 60 60 SER N N 60 125.263 124.421 0.842 1
1 671 . 19 1 1 A 61 61 GLY H H 61 8.649 8.487 0.162 1
1 672 . 19 1 1 A 61 61 GLY HA2 H 61 4.035 4.035 0.000 1
1 673 . 19 1 1 A 61 61 GLY HA3 H 61 3.409 4.068 -0.659 1
1 674 . 19 1 1 A 61 61 GLY C C 61 173.346 173.615 -0.269 1
1 675 . 19 1 1 A 61 61 GLY CA C 61 44.726 45.327 -0.601 1
1 676 . 19 1 1 A 62 62 ILE H H 62 8.128 8.028 0.100 1
1 677 . 19 1 1 A 62 62 ILE HA H 62 4.304 4.257 0.047 1
1 687 . 19 1 1 A 62 62 ILE C C 62 174.950 175.354 -0.404 1
1 688 . 19 1 1 A 62 62 ILE CA C 62 59.396 60.385 -0.989 1
1 689 . 19 1 1 A 62 62 ILE CB C 62 39.110 38.992 0.118 1
1 693 . 19 1 1 A 62 62 ILE N N 62 123.077 120.599 2.478 1
1 694 . 19 1 1 A 63 63 GLU H H 63 8.697 8.616 0.081 1
1 695 . 19 1 1 A 63 63 GLU HA H 63 3.534 4.151 -0.617 1
1 700 . 19 1 1 A 63 63 GLU C C 63 177.156 175.915 1.241 1
1 701 . 19 1 1 A 63 63 GLU CA C 63 55.231 55.549 -0.318 1
1 702 . 19 1 1 A 63 63 GLU CB C 63 29.804 30.034 -0.230 1
1 704 . 19 1 1 A 63 63 GLU N N 63 127.682 126.899 0.783 1
1 705 . 19 1 1 A 64 64 LEU H H 64 8.791 8.803 -0.012 1
1 706 . 19 1 1 A 64 64 LEU HA H 64 3.954 4.021 -0.067 1
1 716 . 19 1 1 A 64 64 LEU C C 64 176.428 176.517 -0.089 1
1 717 . 19 1 1 A 64 64 LEU CA C 64 52.211 53.827 -1.616 1
1 718 . 19 1 1 A 64 64 LEU CB C 64 37.239 39.717 -2.478 1
1 722 . 19 1 1 A 64 64 LEU N N 64 130.005 124.952 5.053 1
1 723 . 19 1 1 A 65 65 ALA H H 65 7.369 8.052 -0.683 1
1 724 . 19 1 1 A 65 65 ALA HA H 65 4.052 4.234 -0.182 1
1 728 . 19 1 1 A 65 65 ALA C C 65 176.322 176.819 -0.497 1
1 729 . 19 1 1 A 65 65 ALA CA C 65 53.207 52.804 0.403 1
1 730 . 19 1 1 A 65 65 ALA CB C 65 20.170 19.562 0.608 1
1 731 . 19 1 1 A 65 65 ALA N N 65 124.744 124.373 0.371 1
1 732 . 19 1 1 A 66 66 ASP H H 66 7.472 7.588 -0.116 1
1 733 . 19 1 1 A 66 66 ASP HA H 66 4.857 4.848 0.009 1
1 736 . 19 1 1 A 66 66 ASP C C 66 175.635 175.658 -0.023 1
1 737 . 19 1 1 A 66 66 ASP CA C 66 52.192 53.661 -1.469 1
1 738 . 19 1 1 A 66 66 ASP CB C 66 41.603 40.408 1.195 1
1 739 . 19 1 1 A 66 66 ASP N N 66 117.457 118.645 -1.188 1
1 740 . 19 1 1 A 67 67 ASP H H 67 8.541 8.976 -0.435 1
1 741 . 19 1 1 A 67 67 ASP HA H 67 4.209 4.295 -0.086 1
1 744 . 19 1 1 A 67 67 ASP C C 67 176.292 178.009 -1.717 1
1 745 . 19 1 1 A 67 67 ASP CA C 67 56.925 57.239 -0.314 1
1 746 . 19 1 1 A 67 67 ASP CB C 67 40.835 40.317 0.518 1
1 747 . 19 1 1 A 67 67 ASP N N 67 124.544 125.652 -1.108 1
1 748 . 19 1 1 A 68 68 TYR H H 68 7.701 7.713 -0.012 1
1 749 . 19 1 1 A 68 68 TYR HA H 68 4.589 4.490 0.099 1
1 756 . 19 1 1 A 68 68 TYR C C 68 175.742 176.032 -0.290 1
1 757 . 19 1 1 A 68 68 TYR CA C 68 56.622 58.457 -1.835 1
1 758 . 19 1 1 A 68 68 TYR CB C 68 37.607 38.262 -0.655 1
1 761 . 19 1 1 A 68 68 TYR N N 68 112.752 116.622 -3.870 1
1 762 . 19 1 1 A 69 69 ARG H H 69 7.182 7.032 0.150 1
1 763 . 19 1 1 A 69 69 ARG HA H 69 4.245 4.425 -0.180 1
1 771 . 19 1 1 A 69 69 ARG C C 69 175.443 175.688 -0.245 1
1 772 . 19 1 1 A 69 69 ARG CA C 69 56.056 55.319 0.737 1
1 773 . 19 1 1 A 69 69 ARG CB C 69 31.536 30.779 0.757 1
1 776 . 19 1 1 A 69 69 ARG N N 69 122.155 122.921 -0.766 1
1 778 . 19 1 1 A 70 70 ASN H H 70 8.749 8.792 -0.043 1
1 779 . 19 1 1 A 70 70 ASN HA H 70 5.068 5.024 0.044 1
1 784 . 19 1 1 A 70 70 ASN C C 70 177.349 177.178 0.171 1
1 785 . 19 1 1 A 70 70 ASN CA C 70 52.528 53.272 -0.744 1
1 786 . 19 1 1 A 70 70 ASN CB C 70 39.856 39.159 0.697 1
1 787 . 19 1 1 A 70 70 ASN N N 70 120.300 120.620 -0.320 1
1 789 . 19 1 1 A 71 71 LEU H H 71 8.603 9.093 -0.490 1
1 790 . 19 1 1 A 71 71 LEU HA H 71 3.943 4.195 -0.252 1
1 800 . 19 1 1 A 71 71 LEU C C 71 179.470 178.980 0.490 1
1 801 . 19 1 1 A 71 71 LEU CA C 71 58.074 57.737 0.337 1
1 802 . 19 1 1 A 71 71 LEU CB C 71 39.446 41.285 -1.839 1
1 806 . 19 1 1 A 71 71 LEU N N 71 118.872 124.041 -5.169 1
1 807 . 19 1 1 A 72 72 ASN H H 72 8.561 8.133 0.428 1
1 808 . 19 1 1 A 72 72 ASN HA H 72 4.394 4.419 -0.025 1
1 813 . 19 1 1 A 72 72 ASN C C 72 178.592 177.693 0.899 1
1 814 . 19 1 1 A 72 72 ASN CA C 72 56.065 56.691 -0.626 1
1 815 . 19 1 1 A 72 72 ASN CB C 72 37.663 40.019 -2.356 1
1 816 . 19 1 1 A 72 72 ASN N N 72 115.744 118.246 -2.502 1
1 818 . 19 1 1 A 73 73 GLU H H 73 7.979 7.950 0.029 1
1 819 . 19 1 1 A 73 73 GLU HA H 73 4.041 3.994 0.047 1
1 824 . 19 1 1 A 73 73 GLU C C 73 177.778 177.045 0.733 1
1 825 . 19 1 1 A 73 73 GLU CA C 73 58.680 58.492 0.188 1
1 826 . 19 1 1 A 73 73 GLU CB C 73 29.114 29.137 -0.023 1
1 828 . 19 1 1 A 73 73 GLU N N 73 121.014 118.759 2.255 1
1 829 . 19 1 1 A 74 74 TYR H H 74 7.500 7.246 0.254 1
1 830 . 19 1 1 A 74 74 TYR HA H 74 4.567 4.657 -0.090 1
1 837 . 19 1 1 A 74 74 TYR C C 74 175.592 175.898 -0.306 1
1 838 . 19 1 1 A 74 74 TYR CA C 74 58.790 57.941 0.849 1
1 839 . 19 1 1 A 74 74 TYR CB C 74 39.440 38.935 0.505 1
1 842 . 19 1 1 A 74 74 TYR N N 74 115.573 116.616 -1.043 1
1 843 . 19 1 1 A 75 75 GLY H H 75 7.702 7.884 -0.182 1
1 844 . 19 1 1 A 75 75 GLY HA2 H 75 4.274 4.000 0.274 1
1 845 . 19 1 1 A 75 75 GLY HA3 H 75 3.749 4.054 -0.305 1
1 846 . 19 1 1 A 75 75 GLY C C 75 174.007 174.715 -0.708 1
1 847 . 19 1 1 A 75 75 GLY CA C 75 45.133 46.625 -1.492 1
1 848 . 19 1 1 A 75 75 GLY N N 75 105.620 109.004 -3.384 1
1 849 . 19 1 1 A 76 76 ILE H H 76 6.628 8.039 -1.411 1
1 850 . 19 1 1 A 76 76 ILE HA H 76 3.170 3.760 -0.590 1
1 860 . 19 1 1 A 76 76 ILE C C 76 174.607 174.805 -0.198 1
1 861 . 19 1 1 A 76 76 ILE CA C 76 62.037 61.336 0.701 1
1 862 . 19 1 1 A 76 76 ILE CB C 76 36.805 37.260 -0.455 1
1 866 . 19 1 1 A 76 76 ILE N N 76 120.041 121.562 -1.521 1
1 867 . 19 1 1 A 77 77 THR H H 77 8.437 8.431 0.006 1
1 868 . 19 1 1 A 77 77 THR HA H 77 4.420 4.581 -0.161 1
1 873 . 19 1 1 A 77 77 THR C C 77 172.893 173.679 -0.786 1
1 874 . 19 1 1 A 77 77 THR CA C 77 58.687 59.612 -0.925 1
1 875 . 19 1 1 A 77 77 THR CB C 77 70.917 71.207 -0.290 1
1 877 . 19 1 1 A 77 77 THR N N 77 121.014 122.397 -1.383 1
1 878 . 19 1 1 A 78 78 GLU H H 78 8.235 8.630 -0.395 1
1 879 . 19 1 1 A 78 78 GLU HA H 78 4.088 3.887 0.201 1
1 884 . 19 1 1 A 78 78 GLU C C 78 177.242 177.160 0.082 1
1 885 . 19 1 1 A 78 78 GLU CA C 78 58.254 57.587 0.667 1
1 886 . 19 1 1 A 78 78 GLU CB C 78 29.336 29.680 -0.344 1
1 888 . 19 1 1 A 78 78 GLU N N 78 121.643 124.000 -2.357 1
1 889 . 19 1 1 A 79 79 PHE H H 79 9.152 8.382 0.770 1
1 890 . 19 1 1 A 79 79 PHE HA H 79 4.363 4.437 -0.074 1
1 895 . 19 1 1 A 79 79 PHE C C 79 176.385 174.347 2.038 1
1 896 . 19 1 1 A 79 79 PHE CA C 79 59.552 58.671 0.881 1
1 897 . 19 1 1 A 79 79 PHE CB C 79 36.282 35.890 0.392 1
1 899 . 19 1 1 A 79 79 PHE N N 79 118.909 119.708 -0.799 1
1 900 . 19 1 1 A 80 80 SER H H 80 8.341 7.512 0.829 1
1 901 . 19 1 1 A 80 80 SER HA H 80 4.576 4.972 -0.396 1
1 904 . 19 1 1 A 80 80 SER C C 80 171.629 174.027 -2.398 1
1 905 . 19 1 1 A 80 80 SER CA C 80 61.398 56.371 5.027 1
1 906 . 19 1 1 A 80 80 SER CB C 80 64.796 65.302 -0.506 1
1 907 . 19 1 1 A 80 80 SER N N 80 118.396 112.740 5.656 1
1 908 . 19 1 1 A 81 81 GLU H H 81 8.692 8.773 -0.081 1
1 909 . 19 1 1 A 81 81 GLU HA H 81 5.115 4.723 0.392 1
1 914 . 19 1 1 A 81 81 GLU C C 81 174.993 175.633 -0.640 1
1 915 . 19 1 1 A 81 81 GLU CA C 81 54.749 56.116 -1.367 1
1 916 . 19 1 1 A 81 81 GLU CB C 81 31.666 30.682 0.984 1
1 918 . 19 1 1 A 81 81 GLU N N 81 122.155 123.630 -1.475 1
1 919 . 19 1 1 A 82 82 ILE H H 82 9.335 9.745 -0.410 1
1 920 . 19 1 1 A 82 82 ILE HA H 82 4.796 4.748 0.048 1
1 930 . 19 1 1 A 82 82 ILE C C 82 174.350 174.846 -0.496 1
1 931 . 19 1 1 A 82 82 ILE CA C 82 58.543 59.703 -1.160 1
1 932 . 19 1 1 A 82 82 ILE CB C 82 39.050 39.265 -0.215 1
1 936 . 19 1 1 A 82 82 ILE N N 82 127.389 125.614 1.775 1
1 937 . 19 1 1 A 83 83 VAL H H 83 9.136 9.310 -0.174 1
1 938 . 19 1 1 A 83 83 VAL HA H 83 4.359 4.332 0.027 1
1 946 . 19 1 1 A 83 83 VAL C C 83 174.971 175.246 -0.275 1
1 947 . 19 1 1 A 83 83 VAL CA C 83 61.756 62.150 -0.394 1
1 948 . 19 1 1 A 83 83 VAL CB C 83 33.537 31.697 1.840 1
1 951 . 19 1 1 A 83 83 VAL N N 83 128.322 128.488 -0.166 1
1 952 . 19 1 1 A 84 84 VAL H H 84 8.019 8.783 -0.764 1
1 953 . 19 1 1 A 84 84 VAL HA H 84 4.524 4.607 -0.083 1
1 961 . 19 1 1 A 84 84 VAL C C 84 175.090 175.095 -0.005 1
1 962 . 19 1 1 A 84 84 VAL CA C 84 61.268 61.086 0.182 1
1 963 . 19 1 1 A 84 84 VAL CB C 84 32.543 31.825 0.718 1
1 966 . 19 1 1 A 84 84 VAL N N 84 125.746 128.323 -2.577 1
1 967 . 19 1 1 A 85 85 PHE H H 85 9.165 9.097 0.068 1
1 968 . 19 1 1 A 85 85 PHE HA H 85 4.795 4.935 -0.140 1
1 976 . 19 1 1 A 85 85 PHE C C 85 174.414 175.078 -0.664 1
1 977 . 19 1 1 A 85 85 PHE CA C 85 55.636 57.320 -1.684 1
1 978 . 19 1 1 A 85 85 PHE CB C 85 41.618 40.678 0.940 1
1 982 . 19 1 1 A 85 85 PHE N N 85 126.921 126.630 0.291 1
1 983 . 19 1 1 A 86 86 LEU H H 86 8.314 8.943 -0.629 1
1 984 . 19 1 1 A 86 86 LEU HA H 86 5.103 4.800 0.303 1
1 994 . 19 1 1 A 86 86 LEU C C 86 177.221 176.184 1.037 1
1 995 . 19 1 1 A 86 86 LEU CA C 86 52.667 54.037 -1.370 1
1 996 . 19 1 1 A 86 86 LEU CB C 86 42.493 41.272 1.221 1
1 1000 . 19 1 1 A 86 86 LEU N N 86 122.166 125.648 -3.482 1
1 1001 . 19 1 1 A 87 87 LYS H H 87 9.006 9.257 -0.251 1
1 1002 . 19 1 1 A 87 87 LYS HA H 87 4.276 4.882 -0.606 1
1 1011 . 19 1 1 A 87 87 LYS C C 87 176.685 174.881 1.804 1
1 1012 . 19 1 1 A 87 87 LYS CA C 87 56.069 55.129 0.940 1
1 1013 . 19 1 1 A 87 87 LYS CB C 87 33.751 34.243 -0.492 1
1 1017 . 19 1 1 A 87 87 LYS N N 87 124.552 125.414 -0.862 1
1 1018 . 19 1 1 A 88 88 SER H H 88 8.640 8.965 -0.325 1
1 1019 . 19 1 1 A 88 88 SER HA H 88 4.461 4.745 -0.284 1
1 1022 . 19 1 1 A 88 88 SER C C 88 174.671 174.024 0.647 1
1 1023 . 19 1 1 A 88 88 SER CA C 88 58.244 57.337 0.907 1
1 1024 . 19 1 1 A 88 88 SER CB C 88 63.518 63.335 0.183 1
1 1025 . 19 1 1 A 88 88 SER N N 88 118.741 120.457 -1.716 1
1 1026 . 19 1 1 A 89 89 ILE H H 89 8.401 7.896 0.505 1
1 1027 . 19 1 1 A 89 89 ILE HA H 89 4.173 4.052 0.121 1
1 1037 . 19 1 1 A 89 89 ILE C C 89 175.828 175.823 0.005 1
1 1038 . 19 1 1 A 89 89 ILE CA C 89 61.240 61.193 0.047 1
1 1039 . 19 1 1 A 89 89 ILE CB C 89 38.930 38.829 0.101 1
1 1043 . 19 1 1 A 89 89 ILE N N 89 122.196 125.313 -3.117 1
1 1044 . 19 1 1 A 90 90 ASN H H 90 8.479 8.599 -0.120 1
1 1045 . 19 1 1 A 90 90 ASN HA H 90 4.709 5.064 -0.355 1
1 1050 . 19 1 1 A 90 90 ASN C C 90 174.971 174.967 0.004 1
1 1051 . 19 1 1 A 90 90 ASN CA C 90 52.863 51.744 1.119 1
1 1052 . 19 1 1 A 90 90 ASN CB C 90 38.726 41.020 -2.294 1
1 1053 . 19 1 1 A 90 90 ASN N N 90 122.645 121.465 1.180 1
1 1055 . 19 1 1 A 91 91 ARG H H 91 8.340 8.434 -0.094 1
1 1056 . 19 1 1 A 91 91 ARG HA H 91 4.321 4.590 -0.269 1
1 1063 . 19 1 1 A 91 91 ARG C C 91 175.850 175.355 0.495 1
1 1064 . 19 1 1 A 91 91 ARG CA C 91 55.708 55.502 0.206 1
1 1065 . 19 1 1 A 91 91 ARG CB C 91 30.704 30.629 0.075 1
1 1068 . 19 1 1 A 91 91 ARG N N 91 122.190 120.591 1.599 1
1 1069 . 19 1 1 A 92 92 ALA H H 92 8.310 8.763 -0.453 1
1 1070 . 19 1 1 A 92 92 ALA HA H 92 4.292 4.605 -0.313 1
1 1074 . 19 1 1 A 92 92 ALA C C 92 177.456 177.550 -0.094 1
1 1075 . 19 1 1 A 92 92 ALA CA C 92 52.524 51.923 0.601 1
1 1076 . 19 1 1 A 92 92 ALA CB C 92 19.254 20.744 -1.490 1
1 1077 . 19 1 1 A 92 92 ALA N N 92 125.492 128.544 -3.052 1
1 1078 . 19 1 1 A 93 93 LYS H H 93 8.189 8.795 -0.606 1
1 1079 . 19 1 1 A 93 93 LYS HA H 93 4.318 4.375 -0.057 1
1 1088 . 19 1 1 A 93 93 LYS C C 93 175.357 176.581 -1.224 1
1 1089 . 19 1 1 A 93 93 LYS CA C 93 56.059 57.621 -1.562 1
1 1090 . 19 1 1 A 93 93 LYS CB C 93 33.101 33.620 -0.519 1
1 1094 . 19 1 1 A 93 93 LYS N N 93 120.307 119.929 0.378 1
1 1 . 20 1 1 A 11 11 ALA HA H 11 4.252 3.776 0.476 1
1 5 . 20 1 1 A 11 11 ALA CA C 11 52.471 53.421 -0.950 1
1 6 . 20 1 1 A 11 11 ALA CB C 11 19.020 18.177 0.843 1
1 7 . 20 1 1 A 12 12 ALA H H 12 8.179 7.915 0.264 1
1 8 . 20 1 1 A 12 12 ALA HA H 12 4.291 4.296 -0.005 1
1 12 . 20 1 1 A 12 12 ALA C C 12 177.662 176.747 0.915 1
1 13 . 20 1 1 A 12 12 ALA CA C 12 52.444 51.409 1.035 1
1 14 . 20 1 1 A 12 12 ALA CB C 12 18.943 19.272 -0.329 1
1 15 . 20 1 1 A 12 12 ALA N N 12 123.114 117.372 5.742 1
1 16 . 20 1 1 A 13 13 VAL H H 13 8.006 7.270 0.736 1
1 17 . 20 1 1 A 13 13 VAL HA H 13 4.100 4.215 -0.115 1
1 25 . 20 1 1 A 13 13 VAL C C 13 175.990 175.375 0.615 1
1 26 . 20 1 1 A 13 13 VAL CA C 13 62.182 60.606 1.576 1
1 27 . 20 1 1 A 13 13 VAL CB C 13 32.442 33.360 -0.918 1
1 29 . 20 1 1 A 13 13 VAL N N 13 119.213 114.561 4.652 1
1 30 . 20 1 1 A 14 14 ARG H H 14 8.329 8.445 -0.116 1
1 31 . 20 1 1 A 14 14 ARG HA H 14 4.344 4.683 -0.339 1
1 38 . 20 1 1 A 14 14 ARG C C 14 175.844 175.028 0.816 1
1 39 . 20 1 1 A 14 14 ARG CA C 14 56.071 55.275 0.796 1
1 40 . 20 1 1 A 14 14 ARG CB C 14 31.099 31.390 -0.291 1
1 43 . 20 1 1 A 14 14 ARG N N 14 125.039 121.833 3.206 1
1 44 . 20 1 1 A 15 15 LYS H H 15 8.147 8.667 -0.520 1
1 45 . 20 1 1 A 15 15 LYS HA H 15 4.552 4.621 -0.069 1
1 54 . 20 1 1 A 15 15 LYS C C 15 176.186 176.550 -0.364 1
1 55 . 20 1 1 A 15 15 LYS CA C 15 55.632 55.706 -0.074 1
1 56 . 20 1 1 A 15 15 LYS CB C 15 33.543 33.970 -0.427 1
1 60 . 20 1 1 A 15 15 LYS N N 15 121.711 124.008 -2.297 1
1 61 . 20 1 1 A 16 16 ILE H H 16 8.764 8.782 -0.018 1
1 62 . 20 1 1 A 16 16 ILE HA H 16 4.508 4.662 -0.154 1
1 72 . 20 1 1 A 16 16 ILE C C 16 174.333 175.280 -0.947 1
1 73 . 20 1 1 A 16 16 ILE CA C 16 59.343 59.547 -0.204 1
1 74 . 20 1 1 A 16 16 ILE CB C 16 41.575 39.535 2.040 1
1 78 . 20 1 1 A 16 16 ILE N N 16 116.484 119.867 -3.383 1
1 79 . 20 1 1 A 17 17 HIS H H 17 8.659 8.633 0.026 1
1 80 . 20 1 1 A 17 17 HIS HA H 17 5.130 4.761 0.369 1
1 85 . 20 1 1 A 17 17 HIS C C 17 174.788 174.947 -0.159 1
1 86 . 20 1 1 A 17 17 HIS CA C 17 55.562 55.559 0.003 1
1 87 . 20 1 1 A 17 17 HIS CB C 17 30.047 28.687 1.360 1
1 90 . 20 1 1 A 17 17 HIS N N 17 119.826 123.123 -3.297 1
1 93 . 20 1 1 A 18 18 VAL H H 18 8.788 8.501 0.287 1
1 94 . 20 1 1 A 18 18 VAL HA H 18 4.681 4.623 0.058 1
1 102 . 20 1 1 A 18 18 VAL C C 18 174.631 175.132 -0.501 1
1 103 . 20 1 1 A 18 18 VAL CA C 18 59.568 60.927 -1.359 1
1 104 . 20 1 1 A 18 18 VAL CB C 18 34.191 33.240 0.951 1
1 107 . 20 1 1 A 18 18 VAL N N 18 117.203 120.073 -2.870 1
1 108 . 20 1 1 A 19 19 THR H H 19 8.746 8.927 -0.181 1
1 109 . 20 1 1 A 19 19 THR HA H 19 4.603 4.736 -0.133 1
1 114 . 20 1 1 A 19 19 THR C C 19 172.422 173.990 -1.568 1
1 115 . 20 1 1 A 19 19 THR CA C 19 62.159 62.022 0.137 1
1 116 . 20 1 1 A 19 19 THR CB C 19 69.640 69.157 0.483 1
1 118 . 20 1 1 A 19 19 THR N N 19 121.216 121.570 -0.354 1
1 119 . 20 1 1 A 20 20 VAL H H 20 9.268 9.038 0.230 1
1 120 . 20 1 1 A 20 20 VAL HA H 20 4.426 4.515 -0.089 1
1 128 . 20 1 1 A 20 20 VAL C C 20 174.013 174.599 -0.586 1
1 129 . 20 1 1 A 20 20 VAL CA C 20 61.312 61.318 -0.006 1
1 130 . 20 1 1 A 20 20 VAL CB C 20 31.567 31.649 -0.082 1
1 133 . 20 1 1 A 20 20 VAL N N 20 128.437 127.705 0.732 1
1 134 . 20 1 1 A 21 21 LYS H H 21 9.147 9.241 -0.094 1
1 135 . 20 1 1 A 21 21 LYS HA H 21 4.759 4.781 -0.022 1
1 144 . 20 1 1 A 21 21 LYS C C 21 175.935 175.047 0.888 1
1 145 . 20 1 1 A 21 21 LYS CA C 21 55.384 55.100 0.284 1
1 146 . 20 1 1 A 21 21 LYS CB C 21 34.197 32.782 1.415 1
1 150 . 20 1 1 A 21 21 LYS N N 21 126.951 127.895 -0.944 1
1 151 . 20 1 1 A 22 22 PHE H H 22 8.938 8.874 0.064 1
1 152 . 20 1 1 A 22 22 PHE HA H 22 4.846 4.732 0.114 1
1 158 . 20 1 1 A 22 22 PHE C C 22 174.843 176.056 -1.213 1
1 159 . 20 1 1 A 22 22 PHE CA C 22 56.918 56.625 0.293 1
1 160 . 20 1 1 A 22 22 PHE CB C 22 39.021 39.751 -0.730 1
1 163 . 20 1 1 A 22 22 PHE N N 22 127.843 124.706 3.137 1
1 164 . 20 1 1 A 23 23 PRO HA H 23 4.192 4.380 -0.188 1
1 171 . 20 1 1 A 23 23 PRO C C 23 177.813 178.143 -0.330 1
1 172 . 20 1 1 A 23 23 PRO CA C 23 66.150 65.209 0.941 1
1 173 . 20 1 1 A 23 23 PRO CB C 23 31.588 32.017 -0.429 1
1 176 . 20 1 1 A 24 24 SER H H 24 8.115 8.840 -0.725 1
1 177 . 20 1 1 A 24 24 SER HA H 24 4.772 4.440 0.332 1
1 180 . 20 1 1 A 24 24 SER C C 24 173.836 174.763 -0.927 1
1 181 . 20 1 1 A 24 24 SER CA C 24 56.928 60.813 -3.885 1
1 182 . 20 1 1 A 24 24 SER CB C 24 64.789 64.097 0.692 1
1 183 . 20 1 1 A 24 24 SER N N 24 106.127 112.605 -6.478 1
1 184 . 20 1 1 A 25 25 LYS H H 25 7.321 7.848 -0.527 1
1 185 . 20 1 1 A 25 25 LYS HA H 25 4.739 4.746 -0.007 1
1 194 . 20 1 1 A 25 25 LYS C C 25 172.915 174.011 -1.096 1
1 195 . 20 1 1 A 25 25 LYS CA C 25 55.863 55.061 0.802 1
1 196 . 20 1 1 A 25 25 LYS CB C 25 34.621 35.297 -0.676 1
1 200 . 20 1 1 A 25 25 LYS N N 25 118.386 114.715 3.671 1
1 201 . 20 1 1 A 26 26 GLN H H 26 8.566 8.768 -0.202 1
1 202 . 20 1 1 A 26 26 GLN HA H 26 5.708 5.395 0.313 1
1 209 . 20 1 1 A 26 26 GLN C C 26 174.179 174.670 -0.491 1
1 210 . 20 1 1 A 26 26 GLN CA C 26 53.888 54.329 -0.441 1
1 211 . 20 1 1 A 26 26 GLN CB C 26 32.884 32.300 0.584 1
1 213 . 20 1 1 A 26 26 GLN N N 26 117.444 120.627 -3.183 1
1 215 . 20 1 1 A 27 27 PHE H H 27 8.564 8.563 0.001 1
1 216 . 20 1 1 A 27 27 PHE HA H 27 5.085 5.372 -0.287 1
1 224 . 20 1 1 A 27 27 PHE C C 27 173.234 172.411 0.823 1
1 225 . 20 1 1 A 27 27 PHE CA C 27 55.993 56.048 -0.055 1
1 226 . 20 1 1 A 27 27 PHE CB C 27 40.088 42.090 -2.002 1
1 230 . 20 1 1 A 27 27 PHE N N 27 117.565 121.764 -4.199 1
1 231 . 20 1 1 A 28 28 THR H H 28 8.801 8.686 0.115 1
1 232 . 20 1 1 A 28 28 THR HA H 28 5.419 5.171 0.248 1
1 237 . 20 1 1 A 28 28 THR C C 28 174.650 173.949 0.701 1
1 238 . 20 1 1 A 28 28 THR CA C 28 61.203 61.669 -0.466 1
1 239 . 20 1 1 A 28 28 THR CB C 28 70.508 70.648 -0.140 1
1 241 . 20 1 1 A 28 28 THR N N 28 115.093 115.866 -0.773 1
1 242 . 20 1 1 A 29 29 VAL H H 29 8.983 9.223 -0.240 1
1 243 . 20 1 1 A 29 29 VAL HA H 29 4.549 4.750 -0.201 1
1 251 . 20 1 1 A 29 29 VAL C C 29 173.686 174.855 -1.169 1
1 252 . 20 1 1 A 29 29 VAL CA C 29 60.118 60.645 -0.527 1
1 253 . 20 1 1 A 29 29 VAL CB C 29 35.498 34.968 0.530 1
1 256 . 20 1 1 A 29 29 VAL N N 29 121.743 126.050 -4.307 1
1 257 . 20 1 1 A 30 30 GLU H H 30 8.460 8.828 -0.368 1
1 258 . 20 1 1 A 30 30 GLU HA H 30 4.894 4.652 0.242 1
1 263 . 20 1 1 A 30 30 GLU C C 30 175.807 176.098 -0.291 1
1 264 . 20 1 1 A 30 30 GLU CA C 30 54.922 56.010 -1.088 1
1 265 . 20 1 1 A 30 30 GLU CB C 30 31.123 30.264 0.859 1
1 267 . 20 1 1 A 30 30 GLU N N 30 125.512 127.390 -1.878 1
1 268 . 20 1 1 A 31 31 VAL H H 31 8.917 8.467 0.450 1
1 269 . 20 1 1 A 31 31 VAL HA H 31 4.634 4.815 -0.181 1
1 277 . 20 1 1 A 31 31 VAL C C 31 174.136 174.226 -0.090 1
1 278 . 20 1 1 A 31 31 VAL CA C 31 58.299 59.115 -0.816 1
1 279 . 20 1 1 A 31 31 VAL CB C 31 35.067 35.053 0.014 1
1 282 . 20 1 1 A 31 31 VAL N N 31 118.900 117.818 1.082 1
1 283 . 20 1 1 A 32 32 ASP H H 32 9.032 8.559 0.473 1
1 284 . 20 1 1 A 32 32 ASP HA H 32 4.943 4.503 0.440 1
1 287 . 20 1 1 A 32 32 ASP C C 32 177.992 177.573 0.419 1
1 288 . 20 1 1 A 32 32 ASP CA C 32 53.428 54.588 -1.160 1
1 289 . 20 1 1 A 32 32 ASP CB C 32 42.939 42.516 0.423 1
1 290 . 20 1 1 A 32 32 ASP N N 32 121.708 124.553 -2.845 1
1 291 . 20 1 1 A 33 33 ARG H H 33 8.847 8.766 0.081 1
1 292 . 20 1 1 A 33 33 ARG HA H 33 3.952 4.061 -0.109 1
1 299 . 20 1 1 A 33 33 ARG C C 33 176.257 176.466 -0.209 1
1 300 . 20 1 1 A 33 33 ARG CA C 33 59.113 58.085 1.028 1
1 301 . 20 1 1 A 33 33 ARG CB C 33 30.011 29.514 0.497 1
1 304 . 20 1 1 A 33 33 ARG N N 33 121.873 124.346 -2.473 1
1 305 . 20 1 1 A 34 34 THR H H 34 8.058 8.245 -0.187 1
1 306 . 20 1 1 A 34 34 THR HA H 34 4.350 4.444 -0.094 1
1 311 . 20 1 1 A 34 34 THR C C 34 174.371 174.211 0.160 1
1 312 . 20 1 1 A 34 34 THR CA C 34 60.432 62.002 -1.570 1
1 313 . 20 1 1 A 34 34 THR CB C 34 68.739 69.316 -0.577 1
1 315 . 20 1 1 A 34 34 THR N N 34 104.720 108.705 -3.985 1
1 316 . 20 1 1 A 35 35 GLU H H 35 7.473 7.706 -0.233 1
1 317 . 20 1 1 A 35 35 GLU HA H 35 4.239 4.412 -0.173 1
1 322 . 20 1 1 A 35 35 GLU C C 35 176.021 176.258 -0.237 1
1 323 . 20 1 1 A 35 35 GLU CA C 35 56.921 56.078 0.843 1
1 324 . 20 1 1 A 35 35 GLU CB C 35 31.086 30.664 0.422 1
1 326 . 20 1 1 A 35 35 GLU N N 35 123.129 123.688 -0.559 1
1 327 . 20 1 1 A 36 36 THR H H 36 8.432 8.815 -0.383 1
1 328 . 20 1 1 A 36 36 THR HA H 36 4.987 5.086 -0.099 1
1 333 . 20 1 1 A 36 36 THR C C 36 175.939 176.193 -0.254 1
1 334 . 20 1 1 A 36 36 THR CA C 36 60.249 60.457 -0.208 1
1 335 . 20 1 1 A 36 36 THR CB C 36 71.783 71.418 0.365 1
1 337 . 20 1 1 A 36 36 THR N N 36 112.476 114.655 -2.179 1
1 338 . 20 1 1 A 37 37 VAL H H 37 8.087 9.019 -0.932 1
1 339 . 20 1 1 A 37 37 VAL HA H 37 3.411 3.622 -0.211 1
1 347 . 20 1 1 A 37 37 VAL C C 37 178.249 177.583 0.666 1
1 348 . 20 1 1 A 37 37 VAL CA C 37 67.397 66.592 0.805 1
1 349 . 20 1 1 A 37 37 VAL CB C 37 31.567 31.300 0.267 1
1 352 . 20 1 1 A 37 37 VAL N N 37 121.215 122.690 -1.475 1
1 353 . 20 1 1 A 38 38 SER H H 38 8.863 8.058 0.805 1
1 354 . 20 1 1 A 38 38 SER HA H 38 4.760 4.263 0.497 1
1 357 . 20 1 1 A 38 38 SER C C 38 176.814 176.979 -0.165 1
1 358 . 20 1 1 A 38 38 SER CA C 38 57.746 61.441 -3.695 1
1 359 . 20 1 1 A 38 38 SER CB C 38 62.627 62.231 0.396 1
1 360 . 20 1 1 A 38 38 SER N N 38 112.752 115.048 -2.296 1
1 361 . 20 1 1 A 39 39 SER H H 39 7.999 7.761 0.238 1
1 362 . 20 1 1 A 39 39 SER HA H 39 4.318 4.327 -0.009 1
1 365 . 20 1 1 A 39 39 SER C C 39 177.692 176.724 0.968 1
1 366 . 20 1 1 A 39 39 SER CA C 39 61.338 61.880 -0.542 1
1 367 . 20 1 1 A 39 39 SER CB C 39 62.349 63.274 -0.925 1
1 368 . 20 1 1 A 39 39 SER N N 39 117.918 117.279 0.639 1
1 369 . 20 1 1 A 40 40 LEU H H 40 8.227 8.030 0.197 1
1 370 . 20 1 1 A 40 40 LEU HA H 40 4.104 4.047 0.057 1
1 380 . 20 1 1 A 40 40 LEU C C 40 178.420 178.714 -0.294 1
1 381 . 20 1 1 A 40 40 LEU CA C 40 58.235 58.199 0.036 1
1 382 . 20 1 1 A 40 40 LEU CB C 40 40.797 41.784 -0.987 1
1 386 . 20 1 1 A 40 40 LEU N N 40 123.592 123.195 0.397 1
1 387 . 20 1 1 A 41 41 LYS H H 41 8.470 8.110 0.360 1
1 388 . 20 1 1 A 41 41 LYS HA H 41 3.824 3.975 -0.151 1
1 397 . 20 1 1 A 41 41 LYS C C 41 178.476 178.683 -0.207 1
1 398 . 20 1 1 A 41 41 LYS CA C 41 61.313 60.305 1.008 1
1 399 . 20 1 1 A 41 41 LYS CB C 41 32.414 32.093 0.321 1
1 403 . 20 1 1 A 41 41 LYS N N 41 118.401 118.660 -0.259 1
1 404 . 20 1 1 A 42 42 ASP H H 42 7.956 8.210 -0.254 1
1 405 . 20 1 1 A 42 42 ASP HA H 42 4.447 4.320 0.127 1
1 408 . 20 1 1 A 42 42 ASP C C 42 178.806 178.898 -0.092 1
1 409 . 20 1 1 A 42 42 ASP CA C 42 57.802 57.596 0.206 1
1 410 . 20 1 1 A 42 42 ASP CB C 42 40.585 42.038 -1.453 1
1 411 . 20 1 1 A 42 42 ASP N N 42 119.295 120.111 -0.816 1
1 412 . 20 1 1 A 43 43 LYS H H 43 8.024 7.899 0.125 1
1 413 . 20 1 1 A 43 43 LYS HA H 43 4.039 4.082 -0.043 1
1 422 . 20 1 1 A 43 43 LYS C C 43 179.941 179.719 0.222 1
1 423 . 20 1 1 A 43 43 LYS CA C 43 60.014 59.643 0.371 1
1 424 . 20 1 1 A 43 43 LYS CB C 43 32.865 32.241 0.624 1
1 428 . 20 1 1 A 43 43 LYS N N 43 119.784 117.910 1.874 1
1 429 . 20 1 1 A 44 44 ILE H H 44 8.480 7.986 0.494 1
1 430 . 20 1 1 A 44 44 ILE HA H 44 3.702 3.829 -0.127 1
1 440 . 20 1 1 A 44 44 ILE C C 44 177.328 178.333 -1.005 1
1 441 . 20 1 1 A 44 44 ILE CA C 44 65.725 65.520 0.205 1
1 442 . 20 1 1 A 44 44 ILE CB C 44 38.110 37.895 0.215 1
1 446 . 20 1 1 A 44 44 ILE N N 44 119.363 120.395 -1.032 1
1 447 . 20 1 1 A 45 45 HIS H H 45 8.635 8.532 0.103 1
1 448 . 20 1 1 A 45 45 HIS HA H 45 4.471 4.256 0.215 1
1 453 . 20 1 1 A 45 45 HIS C C 45 176.407 177.053 -0.646 1
1 454 . 20 1 1 A 45 45 HIS CA C 45 58.451 59.744 -1.293 1
1 455 . 20 1 1 A 45 45 HIS CB C 45 28.055 29.631 -1.576 1
1 458 . 20 1 1 A 45 45 HIS N N 45 118.889 119.412 -0.523 1
1 461 . 20 1 1 A 46 46 ILE H H 46 7.868 7.570 0.298 1
1 462 . 20 1 1 A 46 46 ILE HA H 46 3.571 3.638 -0.067 1
1 472 . 20 1 1 A 46 46 ILE C C 46 177.371 178.250 -0.879 1
1 473 . 20 1 1 A 46 46 ILE CA C 46 63.925 63.895 0.030 1
1 474 . 20 1 1 A 46 46 ILE CB C 46 37.704 37.807 -0.103 1
1 478 . 20 1 1 A 46 46 ILE N N 46 118.414 119.140 -0.726 1
1 479 . 20 1 1 A 47 47 VAL H H 47 7.223 7.803 -0.580 1
1 480 . 20 1 1 A 47 47 VAL HA H 47 3.684 3.482 0.202 1
1 488 . 20 1 1 A 47 47 VAL C C 47 176.706 175.662 1.044 1
1 489 . 20 1 1 A 47 47 VAL CA C 47 64.807 65.966 -1.159 1
1 490 . 20 1 1 A 47 47 VAL CB C 47 32.209 32.073 0.136 1
1 493 . 20 1 1 A 47 47 VAL N N 47 116.982 118.524 -1.542 1
1 494 . 20 1 1 A 48 48 GLU H H 48 8.090 8.227 -0.137 1
1 495 . 20 1 1 A 48 48 GLU HA H 48 4.271 4.465 -0.194 1
1 500 . 20 1 1 A 48 48 GLU C C 48 176.042 175.960 0.082 1
1 501 . 20 1 1 A 48 48 GLU CA C 48 55.062 54.422 0.640 1
1 502 . 20 1 1 A 48 48 GLU CB C 48 31.544 30.659 0.885 1
1 504 . 20 1 1 A 48 48 GLU N N 48 118.849 118.014 0.835 1
1 505 . 20 1 1 A 49 49 ASN H H 49 8.113 8.589 -0.476 1
1 506 . 20 1 1 A 49 49 ASN HA H 49 4.137 4.804 -0.667 1
1 511 . 20 1 1 A 49 49 ASN C C 49 174.993 173.631 1.362 1
1 512 . 20 1 1 A 49 49 ASN CA C 49 54.287 52.595 1.692 1
1 513 . 20 1 1 A 49 49 ASN CB C 49 37.647 36.786 0.861 1
1 514 . 20 1 1 A 49 49 ASN N N 49 118.695 121.000 -2.305 1
1 516 . 20 1 1 A 50 50 THR H H 50 7.780 7.801 -0.021 1
1 517 . 20 1 1 A 50 50 THR HA H 50 4.483 4.931 -0.448 1
1 522 . 20 1 1 A 50 50 THR C C 50 173.107 172.486 0.621 1
1 523 . 20 1 1 A 50 50 THR CA C 50 61.094 59.323 1.771 1
1 524 . 20 1 1 A 50 50 THR CB C 50 70.926 72.680 -1.754 1
1 526 . 20 1 1 A 50 50 THR N N 50 118.434 119.559 -1.125 1
1 527 . 20 1 1 A 51 51 PRO HA H 51 4.485 4.649 -0.164 1
1 534 . 20 1 1 A 51 51 PRO C C 51 178.067 177.935 0.132 1
1 535 . 20 1 1 A 51 51 PRO CA C 51 63.075 62.984 0.091 1
1 536 . 20 1 1 A 51 51 PRO CB C 51 31.996 32.406 -0.410 1
1 539 . 20 1 1 A 52 52 ILE H H 52 8.530 8.300 0.230 1
1 540 . 20 1 1 A 52 52 ILE HA H 52 3.764 3.857 -0.093 1
1 550 . 20 1 1 A 52 52 ILE C C 52 179.363 178.013 1.350 1
1 551 . 20 1 1 A 52 52 ILE CA C 52 64.855 63.847 1.008 1
1 552 . 20 1 1 A 52 52 ILE CB C 52 38.109 37.576 0.533 1
1 556 . 20 1 1 A 52 52 ILE N N 52 125.501 122.700 2.801 1
1 557 . 20 1 1 A 53 53 LYS H H 53 8.603 7.851 0.752 1
1 558 . 20 1 1 A 53 53 LYS HA H 53 4.180 4.243 -0.063 1
1 567 . 20 1 1 A 53 53 LYS C C 53 177.113 177.277 -0.164 1
1 568 . 20 1 1 A 53 53 LYS CA C 53 57.816 58.549 -0.733 1
1 569 . 20 1 1 A 53 53 LYS CB C 53 31.992 32.158 -0.166 1
1 573 . 20 1 1 A 53 53 LYS N N 53 117.464 121.069 -3.605 1
1 574 . 20 1 1 A 54 54 ARG H H 54 7.479 7.753 -0.274 1
1 575 . 20 1 1 A 54 54 ARG HA H 54 4.361 4.440 -0.079 1
1 582 . 20 1 1 A 54 54 ARG C C 54 175.507 176.115 -0.608 1
1 583 . 20 1 1 A 54 54 ARG CA C 54 56.051 57.011 -0.960 1
1 584 . 20 1 1 A 54 54 ARG CB C 54 31.559 31.681 -0.122 1
1 587 . 20 1 1 A 54 54 ARG N N 54 114.601 116.782 -2.181 1
1 588 . 20 1 1 A 55 55 MET H H 55 7.479 7.457 0.022 1
1 589 . 20 1 1 A 55 55 MET HA H 55 4.435 4.509 -0.074 1
1 597 . 20 1 1 A 55 55 MET C C 55 175.276 175.616 -0.340 1
1 598 . 20 1 1 A 55 55 MET CA C 55 57.365 55.198 2.167 1
1 599 . 20 1 1 A 55 55 MET CB C 55 35.142 33.627 1.515 1
1 602 . 20 1 1 A 55 55 MET N N 55 116.986 117.822 -0.836 1
1 603 . 20 1 1 A 56 56 GLN H H 56 8.958 9.098 -0.140 1
1 604 . 20 1 1 A 56 56 GLN HA H 56 4.502 4.983 -0.481 1
1 611 . 20 1 1 A 56 56 GLN C C 56 173.429 174.358 -0.929 1
1 612 . 20 1 1 A 56 56 GLN CA C 56 54.982 54.054 0.928 1
1 613 . 20 1 1 A 56 56 GLN CB C 56 32.420 32.267 0.153 1
1 615 . 20 1 1 A 56 56 GLN N N 56 124.094 123.588 0.506 1
1 617 . 20 1 1 A 57 57 LEU H H 57 8.603 8.760 -0.157 1
1 618 . 20 1 1 A 57 57 LEU HA H 57 5.190 4.832 0.358 1
1 628 . 20 1 1 A 57 57 LEU C C 57 175.421 175.740 -0.319 1
1 629 . 20 1 1 A 57 57 LEU CA C 57 53.437 54.131 -0.694 1
1 630 . 20 1 1 A 57 57 LEU CB C 57 44.367 43.106 1.261 1
1 634 . 20 1 1 A 57 57 LEU N N 57 124.534 127.851 -3.317 1
1 635 . 20 1 1 A 58 58 TYR H H 58 9.319 9.511 -0.192 1
1 636 . 20 1 1 A 58 58 TYR HA H 58 5.145 5.377 -0.232 1
1 643 . 20 1 1 A 58 58 TYR C C 58 174.821 174.261 0.560 1
1 644 . 20 1 1 A 58 58 TYR CA C 58 56.503 56.487 0.016 1
1 645 . 20 1 1 A 58 58 TYR CB C 58 43.323 40.788 2.535 1
1 648 . 20 1 1 A 58 58 TYR N N 58 119.746 123.173 -3.427 1
1 649 . 20 1 1 A 59 59 TYR H H 59 8.993 9.137 -0.144 1
1 650 . 20 1 1 A 59 59 TYR HA H 59 5.173 4.901 0.272 1
1 657 . 20 1 1 A 59 59 TYR C C 59 174.980 175.797 -0.817 1
1 658 . 20 1 1 A 59 59 TYR CA C 59 55.625 57.663 -2.038 1
1 659 . 20 1 1 A 59 59 TYR CB C 59 41.981 39.625 2.356 1
1 662 . 20 1 1 A 59 59 TYR N N 59 120.286 127.138 -6.852 1
1 663 . 20 1 1 A 60 60 SER H H 60 9.320 8.433 0.887 1
1 664 . 20 1 1 A 60 60 SER HA H 60 3.668 4.162 -0.494 1
1 667 . 20 1 1 A 60 60 SER C C 60 174.893 174.379 0.514 1
1 668 . 20 1 1 A 60 60 SER CA C 60 57.815 60.088 -2.273 1
1 669 . 20 1 1 A 60 60 SER CB C 60 62.602 62.364 0.238 1
1 670 . 20 1 1 A 60 60 SER N N 60 125.263 123.954 1.309 1
1 671 . 20 1 1 A 61 61 GLY H H 61 8.649 8.549 0.100 1
1 672 . 20 1 1 A 61 61 GLY HA2 H 61 4.035 4.063 -0.028 1
1 673 . 20 1 1 A 61 61 GLY HA3 H 61 3.409 4.076 -0.667 1
1 674 . 20 1 1 A 61 61 GLY C C 61 173.346 173.725 -0.379 1
1 675 . 20 1 1 A 61 61 GLY CA C 61 44.726 45.416 -0.690 1
1 676 . 20 1 1 A 62 62 ILE H H 62 8.128 8.156 -0.028 1
1 677 . 20 1 1 A 62 62 ILE HA H 62 4.304 4.471 -0.167 1
1 687 . 20 1 1 A 62 62 ILE C C 62 174.950 175.384 -0.434 1
1 688 . 20 1 1 A 62 62 ILE CA C 62 59.396 60.582 -1.186 1
1 689 . 20 1 1 A 62 62 ILE CB C 62 39.110 39.377 -0.267 1
1 693 . 20 1 1 A 62 62 ILE N N 62 123.077 120.658 2.419 1
1 694 . 20 1 1 A 63 63 GLU H H 63 8.697 8.595 0.102 1
1 695 . 20 1 1 A 63 63 GLU HA H 63 3.534 4.264 -0.730 1
1 700 . 20 1 1 A 63 63 GLU C C 63 177.156 176.167 0.989 1
1 701 . 20 1 1 A 63 63 GLU CA C 63 55.231 55.623 -0.392 1
1 702 . 20 1 1 A 63 63 GLU CB C 63 29.804 30.191 -0.387 1
1 704 . 20 1 1 A 63 63 GLU N N 63 127.682 126.698 0.984 1
1 705 . 20 1 1 A 64 64 LEU H H 64 8.791 8.990 -0.199 1
1 706 . 20 1 1 A 64 64 LEU HA H 64 3.954 4.234 -0.280 1
1 716 . 20 1 1 A 64 64 LEU C C 64 176.428 176.665 -0.237 1
1 717 . 20 1 1 A 64 64 LEU CA C 64 52.211 54.423 -2.212 1
1 718 . 20 1 1 A 64 64 LEU CB C 64 37.239 40.336 -3.097 1
1 722 . 20 1 1 A 64 64 LEU N N 64 130.005 125.073 4.932 1
1 723 . 20 1 1 A 65 65 ALA H H 65 7.369 8.173 -0.804 1
1 724 . 20 1 1 A 65 65 ALA HA H 65 4.052 4.274 -0.222 1
1 728 . 20 1 1 A 65 65 ALA C C 65 176.322 176.894 -0.572 1
1 729 . 20 1 1 A 65 65 ALA CA C 65 53.207 53.815 -0.608 1
1 730 . 20 1 1 A 65 65 ALA CB C 65 20.170 19.621 0.549 1
1 731 . 20 1 1 A 65 65 ALA N N 65 124.744 128.033 -3.289 1
1 732 . 20 1 1 A 66 66 ASP H H 66 7.472 7.197 0.275 1
1 733 . 20 1 1 A 66 66 ASP HA H 66 4.857 4.706 0.151 1
1 736 . 20 1 1 A 66 66 ASP C C 66 175.635 175.642 -0.007 1
1 737 . 20 1 1 A 66 66 ASP CA C 66 52.192 53.315 -1.123 1
1 738 . 20 1 1 A 66 66 ASP CB C 66 41.603 39.935 1.668 1
1 739 . 20 1 1 A 66 66 ASP N N 66 117.457 118.287 -0.830 1
1 740 . 20 1 1 A 67 67 ASP H H 67 8.541 8.819 -0.278 1
1 741 . 20 1 1 A 67 67 ASP HA H 67 4.209 4.210 -0.001 1
1 744 . 20 1 1 A 67 67 ASP C C 67 176.292 178.467 -2.175 1
1 745 . 20 1 1 A 67 67 ASP CA C 67 56.925 57.385 -0.460 1
1 746 . 20 1 1 A 67 67 ASP CB C 67 40.835 40.175 0.660 1
1 747 . 20 1 1 A 67 67 ASP N N 67 124.544 125.761 -1.217 1
1 748 . 20 1 1 A 68 68 TYR H H 68 7.701 7.640 0.061 1
1 749 . 20 1 1 A 68 68 TYR HA H 68 4.589 4.461 0.128 1
1 756 . 20 1 1 A 68 68 TYR C C 68 175.742 176.263 -0.521 1
1 757 . 20 1 1 A 68 68 TYR CA C 68 56.622 59.130 -2.508 1
1 758 . 20 1 1 A 68 68 TYR CB C 68 37.607 37.369 0.238 1
1 761 . 20 1 1 A 68 68 TYR N N 68 112.752 116.715 -3.963 1
1 762 . 20 1 1 A 69 69 ARG H H 69 7.182 7.398 -0.216 1
1 763 . 20 1 1 A 69 69 ARG HA H 69 4.245 4.310 -0.065 1
1 771 . 20 1 1 A 69 69 ARG C C 69 175.443 175.656 -0.213 1
1 772 . 20 1 1 A 69 69 ARG CA C 69 56.056 55.908 0.148 1
1 773 . 20 1 1 A 69 69 ARG CB C 69 31.536 30.376 1.160 1
1 776 . 20 1 1 A 69 69 ARG N N 69 122.155 123.489 -1.334 1
1 778 . 20 1 1 A 70 70 ASN H H 70 8.749 8.798 -0.049 1
1 779 . 20 1 1 A 70 70 ASN HA H 70 5.068 5.025 0.043 1
1 784 . 20 1 1 A 70 70 ASN C C 70 177.349 177.008 0.341 1
1 785 . 20 1 1 A 70 70 ASN CA C 70 52.528 53.496 -0.968 1
1 786 . 20 1 1 A 70 70 ASN CB C 70 39.856 39.045 0.811 1
1 787 . 20 1 1 A 70 70 ASN N N 70 120.300 121.184 -0.884 1
1 789 . 20 1 1 A 71 71 LEU H H 71 8.603 9.042 -0.439 1
1 790 . 20 1 1 A 71 71 LEU HA H 71 3.943 4.110 -0.167 1
1 800 . 20 1 1 A 71 71 LEU C C 71 179.470 179.012 0.458 1
1 801 . 20 1 1 A 71 71 LEU CA C 71 58.074 57.718 0.356 1
1 802 . 20 1 1 A 71 71 LEU CB C 71 39.446 41.306 -1.860 1
1 806 . 20 1 1 A 71 71 LEU N N 71 118.872 123.570 -4.698 1
1 807 . 20 1 1 A 72 72 ASN H H 72 8.561 8.173 0.388 1
1 808 . 20 1 1 A 72 72 ASN HA H 72 4.394 4.418 -0.024 1
1 813 . 20 1 1 A 72 72 ASN C C 72 178.592 177.615 0.977 1
1 814 . 20 1 1 A 72 72 ASN CA C 72 56.065 56.857 -0.792 1
1 815 . 20 1 1 A 72 72 ASN CB C 72 37.663 39.925 -2.262 1
1 816 . 20 1 1 A 72 72 ASN N N 72 115.744 118.410 -2.666 1
1 818 . 20 1 1 A 73 73 GLU H H 73 7.979 8.010 -0.031 1
1 819 . 20 1 1 A 73 73 GLU HA H 73 4.041 4.007 0.034 1
1 824 . 20 1 1 A 73 73 GLU C C 73 177.778 177.704 0.074 1
1 825 . 20 1 1 A 73 73 GLU CA C 73 58.680 58.692 -0.012 1
1 826 . 20 1 1 A 73 73 GLU CB C 73 29.114 29.364 -0.250 1
1 828 . 20 1 1 A 73 73 GLU N N 73 121.014 118.716 2.298 1
1 829 . 20 1 1 A 74 74 TYR H H 74 7.500 7.553 -0.053 1
1 830 . 20 1 1 A 74 74 TYR HA H 74 4.567 4.502 0.065 1
1 837 . 20 1 1 A 74 74 TYR C C 74 175.592 175.866 -0.274 1
1 838 . 20 1 1 A 74 74 TYR CA C 74 58.790 57.980 0.810 1
1 839 . 20 1 1 A 74 74 TYR CB C 74 39.440 38.348 1.092 1
1 842 . 20 1 1 A 74 74 TYR N N 74 115.573 116.715 -1.142 1
1 843 . 20 1 1 A 75 75 GLY H H 75 7.702 7.793 -0.091 1
1 844 . 20 1 1 A 75 75 GLY HA2 H 75 4.274 3.939 0.335 1
1 845 . 20 1 1 A 75 75 GLY HA3 H 75 3.749 3.946 -0.197 1
1 846 . 20 1 1 A 75 75 GLY C C 75 174.007 174.568 -0.561 1
1 847 . 20 1 1 A 75 75 GLY CA C 75 45.133 46.527 -1.394 1
1 848 . 20 1 1 A 75 75 GLY N N 75 105.620 108.635 -3.015 1
1 849 . 20 1 1 A 76 76 ILE H H 76 6.628 7.986 -1.358 1
1 850 . 20 1 1 A 76 76 ILE HA H 76 3.170 3.931 -0.761 1
1 860 . 20 1 1 A 76 76 ILE C C 76 174.607 174.889 -0.282 1
1 861 . 20 1 1 A 76 76 ILE CA C 76 62.037 61.384 0.653 1
1 862 . 20 1 1 A 76 76 ILE CB C 76 36.805 37.547 -0.742 1
1 866 . 20 1 1 A 76 76 ILE N N 76 120.041 121.874 -1.833 1
1 867 . 20 1 1 A 77 77 THR H H 77 8.437 8.880 -0.443 1
1 868 . 20 1 1 A 77 77 THR HA H 77 4.420 4.880 -0.460 1
1 873 . 20 1 1 A 77 77 THR C C 77 172.893 172.612 0.281 1
1 874 . 20 1 1 A 77 77 THR CA C 77 58.687 59.219 -0.532 1
1 875 . 20 1 1 A 77 77 THR CB C 77 70.917 71.149 -0.232 1
1 877 . 20 1 1 A 77 77 THR N N 77 121.014 122.200 -1.186 1
1 878 . 20 1 1 A 78 78 GLU H H 78 8.235 8.662 -0.427 1
1 879 . 20 1 1 A 78 78 GLU HA H 78 4.088 4.047 0.041 1
1 884 . 20 1 1 A 78 78 GLU C C 78 177.242 177.336 -0.094 1
1 885 . 20 1 1 A 78 78 GLU CA C 78 58.254 57.324 0.930 1
1 886 . 20 1 1 A 78 78 GLU CB C 78 29.336 30.050 -0.714 1
1 888 . 20 1 1 A 78 78 GLU N N 78 121.643 124.188 -2.545 1
1 889 . 20 1 1 A 79 79 PHE H H 79 9.152 8.714 0.438 1
1 890 . 20 1 1 A 79 79 PHE HA H 79 4.363 4.022 0.341 1
1 895 . 20 1 1 A 79 79 PHE C C 79 176.385 174.374 2.011 1
1 896 . 20 1 1 A 79 79 PHE CA C 79 59.552 59.199 0.353 1
1 897 . 20 1 1 A 79 79 PHE CB C 79 36.282 35.838 0.444 1
1 899 . 20 1 1 A 79 79 PHE N N 79 118.909 119.552 -0.643 1
1 900 . 20 1 1 A 80 80 SER H H 80 8.341 8.050 0.291 1
1 901 . 20 1 1 A 80 80 SER HA H 80 4.576 4.716 -0.140 1
1 904 . 20 1 1 A 80 80 SER C C 80 171.629 173.468 -1.839 1
1 905 . 20 1 1 A 80 80 SER CA C 80 61.398 57.809 3.589 1
1 906 . 20 1 1 A 80 80 SER CB C 80 64.796 65.344 -0.548 1
1 907 . 20 1 1 A 80 80 SER N N 80 118.396 113.636 4.760 1
1 908 . 20 1 1 A 81 81 GLU H H 81 8.692 8.660 0.032 1
1 909 . 20 1 1 A 81 81 GLU HA H 81 5.115 4.962 0.153 1
1 914 . 20 1 1 A 81 81 GLU C C 81 174.993 175.520 -0.527 1
1 915 . 20 1 1 A 81 81 GLU CA C 81 54.749 55.477 -0.728 1
1 916 . 20 1 1 A 81 81 GLU CB C 81 31.666 31.079 0.587 1
1 918 . 20 1 1 A 81 81 GLU N N 81 122.155 121.091 1.064 1
1 919 . 20 1 1 A 82 82 ILE H H 82 9.335 9.726 -0.391 1
1 920 . 20 1 1 A 82 82 ILE HA H 82 4.796 4.707 0.089 1
1 930 . 20 1 1 A 82 82 ILE C C 82 174.350 174.834 -0.484 1
1 931 . 20 1 1 A 82 82 ILE CA C 82 58.543 59.674 -1.131 1
1 932 . 20 1 1 A 82 82 ILE CB C 82 39.050 39.168 -0.118 1
1 936 . 20 1 1 A 82 82 ILE N N 82 127.389 126.043 1.346 1
1 937 . 20 1 1 A 83 83 VAL H H 83 9.136 9.677 -0.541 1
1 938 . 20 1 1 A 83 83 VAL HA H 83 4.359 4.192 0.167 1
1 946 . 20 1 1 A 83 83 VAL C C 83 174.971 175.168 -0.197 1
1 947 . 20 1 1 A 83 83 VAL CA C 83 61.756 62.087 -0.331 1
1 948 . 20 1 1 A 83 83 VAL CB C 83 33.537 31.547 1.990 1
1 951 . 20 1 1 A 83 83 VAL N N 83 128.322 128.476 -0.154 1
1 952 . 20 1 1 A 84 84 VAL H H 84 8.019 8.965 -0.946 1
1 953 . 20 1 1 A 84 84 VAL HA H 84 4.524 4.403 0.121 1
1 961 . 20 1 1 A 84 84 VAL C C 84 175.090 174.818 0.272 1
1 962 . 20 1 1 A 84 84 VAL CA C 84 61.268 60.954 0.314 1
1 963 . 20 1 1 A 84 84 VAL CB C 84 32.543 31.642 0.901 1
1 966 . 20 1 1 A 84 84 VAL N N 84 125.746 127.908 -2.162 1
1 967 . 20 1 1 A 85 85 PHE H H 85 9.165 8.741 0.424 1
1 968 . 20 1 1 A 85 85 PHE HA H 85 4.795 5.000 -0.205 1
1 976 . 20 1 1 A 85 85 PHE C C 85 174.414 175.051 -0.637 1
1 977 . 20 1 1 A 85 85 PHE CA C 85 55.636 57.111 -1.475 1
1 978 . 20 1 1 A 85 85 PHE CB C 85 41.618 40.685 0.933 1
1 982 . 20 1 1 A 85 85 PHE N N 85 126.921 126.867 0.054 1
1 983 . 20 1 1 A 86 86 LEU H H 86 8.314 9.094 -0.780 1
1 984 . 20 1 1 A 86 86 LEU HA H 86 5.103 4.749 0.354 1
1 994 . 20 1 1 A 86 86 LEU C C 86 177.221 175.986 1.235 1
1 995 . 20 1 1 A 86 86 LEU CA C 86 52.667 54.196 -1.529 1
1 996 . 20 1 1 A 86 86 LEU CB C 86 42.493 41.874 0.619 1
1 1000 . 20 1 1 A 86 86 LEU N N 86 122.166 125.651 -3.485 1
1 1001 . 20 1 1 A 87 87 LYS H H 87 9.006 9.207 -0.201 1
1 1002 . 20 1 1 A 87 87 LYS HA H 87 4.276 4.712 -0.436 1
1 1011 . 20 1 1 A 87 87 LYS C C 87 176.685 175.976 0.709 1
1 1012 . 20 1 1 A 87 87 LYS CA C 87 56.069 55.645 0.424 1
1 1013 . 20 1 1 A 87 87 LYS CB C 87 33.751 33.077 0.674 1
1 1017 . 20 1 1 A 87 87 LYS N N 87 124.552 125.848 -1.296 1
1 1018 . 20 1 1 A 88 88 SER H H 88 8.640 8.812 -0.172 1
1 1019 . 20 1 1 A 88 88 SER HA H 88 4.461 4.559 -0.098 1
1 1022 . 20 1 1 A 88 88 SER C C 88 174.671 172.907 1.764 1
1 1023 . 20 1 1 A 88 88 SER CA C 88 58.244 58.096 0.148 1
1 1024 . 20 1 1 A 88 88 SER CB C 88 63.518 61.344 2.174 1
1 1025 . 20 1 1 A 88 88 SER N N 88 118.741 122.132 -3.391 1
1 1026 . 20 1 1 A 89 89 ILE H H 89 8.401 8.118 0.283 1
1 1027 . 20 1 1 A 89 89 ILE HA H 89 4.173 5.040 -0.867 1
1 1037 . 20 1 1 A 89 89 ILE C C 89 175.828 174.305 1.523 1
1 1038 . 20 1 1 A 89 89 ILE CA C 89 61.240 59.134 2.106 1
1 1039 . 20 1 1 A 89 89 ILE CB C 89 38.930 40.828 -1.898 1
1 1043 . 20 1 1 A 89 89 ILE N N 89 122.196 119.229 2.967 1
1 1044 . 20 1 1 A 90 90 ASN H H 90 8.479 8.809 -0.330 1
1 1045 . 20 1 1 A 90 90 ASN HA H 90 4.709 4.890 -0.181 1
1 1050 . 20 1 1 A 90 90 ASN C C 90 174.971 173.887 1.084 1
1 1051 . 20 1 1 A 90 90 ASN CA C 90 52.863 51.972 0.891 1
1 1052 . 20 1 1 A 90 90 ASN CB C 90 38.726 38.403 0.323 1
1 1053 . 20 1 1 A 90 90 ASN N N 90 122.645 123.947 -1.302 1
1 1055 . 20 1 1 A 91 91 ARG H H 91 8.340 8.839 -0.499 1
1 1056 . 20 1 1 A 91 91 ARG HA H 91 4.321 4.736 -0.415 1
1 1063 . 20 1 1 A 91 91 ARG C C 91 175.850 175.297 0.553 1
1 1064 . 20 1 1 A 91 91 ARG CA C 91 55.708 55.689 0.019 1
1 1065 . 20 1 1 A 91 91 ARG CB C 91 30.704 30.890 -0.186 1
1 1068 . 20 1 1 A 91 91 ARG N N 91 122.190 126.045 -3.855 1
1 1069 . 20 1 1 A 92 92 ALA H H 92 8.310 8.362 -0.052 1
1 1070 . 20 1 1 A 92 92 ALA HA H 92 4.292 4.926 -0.634 1
1 1074 . 20 1 1 A 92 92 ALA C C 92 177.456 178.531 -1.075 1
1 1075 . 20 1 1 A 92 92 ALA CA C 92 52.524 50.796 1.728 1
1 1076 . 20 1 1 A 92 92 ALA CB C 92 19.254 21.870 -2.616 1
1 1077 . 20 1 1 A 92 92 ALA N N 92 125.492 128.261 -2.769 1
1 1078 . 20 1 1 A 93 93 LYS H H 93 8.189 8.814 -0.625 1
1 1079 . 20 1 1 A 93 93 LYS HA H 93 4.318 4.081 0.237 1
1 1088 . 20 1 1 A 93 93 LYS C C 93 175.357 177.515 -2.158 1
1 1089 . 20 1 1 A 93 93 LYS CA C 93 56.059 58.670 -2.611 1
1 1090 . 20 1 1 A 93 93 LYS CB C 93 33.101 32.169 0.932 1
1 1094 . 20 1 1 A 93 93 LYS N N 93 120.307 121.937 -1.630 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 82 0.913 1
2 1 1 1 "RMS(OBS, PRED)" CA 83 1.179 1
3 1 1 1 "RMS(OBS, PRED)" CB 81 1.186 1
4 1 1 1 "RMS(OBS, PRED)" H 80 0.424 1
5 1 1 1 "RMS(OBS, PRED)" HA 85 0.274 1
6 1 1 1 "RMS(OBS, PRED)" N 79 2.504 1
7 1 2 1 "RMS(OBS, PRED)" C 82 0.806 1
8 1 2 1 "RMS(OBS, PRED)" CA 83 1.187 1
9 1 2 1 "RMS(OBS, PRED)" CB 81 1.051 1
10 1 2 1 "RMS(OBS, PRED)" H 80 0.426 1
11 1 2 1 "RMS(OBS, PRED)" HA 85 0.276 1
12 1 2 1 "RMS(OBS, PRED)" N 79 2.680 1
13 1 3 1 "RMS(OBS, PRED)" C 82 0.879 1
14 1 3 1 "RMS(OBS, PRED)" CA 83 1.320 1
15 1 3 1 "RMS(OBS, PRED)" CB 81 1.152 1
16 1 3 1 "RMS(OBS, PRED)" H 80 0.439 1
17 1 3 1 "RMS(OBS, PRED)" HA 85 0.283 1
18 1 3 1 "RMS(OBS, PRED)" N 79 2.557 1
19 1 4 1 "RMS(OBS, PRED)" C 82 0.796 1
20 1 4 1 "RMS(OBS, PRED)" CA 83 1.260 1
21 1 4 1 "RMS(OBS, PRED)" CB 81 1.069 1
22 1 4 1 "RMS(OBS, PRED)" H 80 0.413 1
23 1 4 1 "RMS(OBS, PRED)" HA 85 0.254 1
24 1 4 1 "RMS(OBS, PRED)" N 79 2.728 1
25 1 5 1 "RMS(OBS, PRED)" C 82 0.767 1
26 1 5 1 "RMS(OBS, PRED)" CA 83 1.254 1
27 1 5 1 "RMS(OBS, PRED)" CB 81 1.098 1
28 1 5 1 "RMS(OBS, PRED)" H 80 0.376 1
29 1 5 1 "RMS(OBS, PRED)" HA 85 0.297 1
30 1 5 1 "RMS(OBS, PRED)" N 79 2.607 1
31 1 6 1 "RMS(OBS, PRED)" C 82 0.760 1
32 1 6 1 "RMS(OBS, PRED)" CA 83 1.263 1
33 1 6 1 "RMS(OBS, PRED)" CB 81 1.082 1
34 1 6 1 "RMS(OBS, PRED)" H 80 0.441 1
35 1 6 1 "RMS(OBS, PRED)" HA 85 0.294 1
36 1 6 1 "RMS(OBS, PRED)" N 79 2.695 1
37 1 7 1 "RMS(OBS, PRED)" C 82 0.784 1
38 1 7 1 "RMS(OBS, PRED)" CA 83 1.184 1
39 1 7 1 "RMS(OBS, PRED)" CB 81 1.198 1
40 1 7 1 "RMS(OBS, PRED)" H 80 0.370 1
41 1 7 1 "RMS(OBS, PRED)" HA 85 0.282 1
42 1 7 1 "RMS(OBS, PRED)" N 79 2.758 1
43 1 8 1 "RMS(OBS, PRED)" C 82 0.850 1
44 1 8 1 "RMS(OBS, PRED)" CA 83 1.198 1
45 1 8 1 "RMS(OBS, PRED)" CB 81 1.001 1
46 1 8 1 "RMS(OBS, PRED)" H 80 0.432 1
47 1 8 1 "RMS(OBS, PRED)" HA 85 0.282 1
48 1 8 1 "RMS(OBS, PRED)" N 79 2.443 1
49 1 9 1 "RMS(OBS, PRED)" C 82 0.840 1
50 1 9 1 "RMS(OBS, PRED)" CA 83 1.273 1
51 1 9 1 "RMS(OBS, PRED)" CB 81 1.134 1
52 1 9 1 "RMS(OBS, PRED)" H 80 0.424 1
53 1 9 1 "RMS(OBS, PRED)" HA 85 0.291 1
54 1 9 1 "RMS(OBS, PRED)" N 79 2.701 1
55 1 10 1 "RMS(OBS, PRED)" C 82 0.867 1
56 1 10 1 "RMS(OBS, PRED)" CA 83 1.330 1
57 1 10 1 "RMS(OBS, PRED)" CB 81 1.099 1
58 1 10 1 "RMS(OBS, PRED)" H 80 0.465 1
59 1 10 1 "RMS(OBS, PRED)" HA 85 0.287 1
60 1 10 1 "RMS(OBS, PRED)" N 79 2.552 1
61 1 11 1 "RMS(OBS, PRED)" C 82 0.818 1
62 1 11 1 "RMS(OBS, PRED)" CA 83 1.157 1
63 1 11 1 "RMS(OBS, PRED)" CB 81 1.180 1
64 1 11 1 "RMS(OBS, PRED)" H 80 0.413 1
65 1 11 1 "RMS(OBS, PRED)" HA 85 0.299 1
66 1 11 1 "RMS(OBS, PRED)" N 79 2.540 1
67 1 12 1 "RMS(OBS, PRED)" C 82 0.776 1
68 1 12 1 "RMS(OBS, PRED)" CA 83 1.125 1
69 1 12 1 "RMS(OBS, PRED)" CB 81 1.050 1
70 1 12 1 "RMS(OBS, PRED)" H 80 0.415 1
71 1 12 1 "RMS(OBS, PRED)" HA 85 0.254 1
72 1 12 1 "RMS(OBS, PRED)" N 79 2.664 1
73 1 13 1 "RMS(OBS, PRED)" C 82 0.792 1
74 1 13 1 "RMS(OBS, PRED)" CA 83 1.264 1
75 1 13 1 "RMS(OBS, PRED)" CB 81 1.256 1
76 1 13 1 "RMS(OBS, PRED)" H 80 0.439 1
77 1 13 1 "RMS(OBS, PRED)" HA 85 0.290 1
78 1 13 1 "RMS(OBS, PRED)" N 79 2.671 1
79 1 14 1 "RMS(OBS, PRED)" C 82 0.850 1
80 1 14 1 "RMS(OBS, PRED)" CA 83 1.317 1
81 1 14 1 "RMS(OBS, PRED)" CB 81 1.277 1
82 1 14 1 "RMS(OBS, PRED)" H 80 0.421 1
83 1 14 1 "RMS(OBS, PRED)" HA 85 0.270 1
84 1 14 1 "RMS(OBS, PRED)" N 79 2.663 1
85 1 15 1 "RMS(OBS, PRED)" C 82 0.745 1
86 1 15 1 "RMS(OBS, PRED)" CA 83 1.112 1
87 1 15 1 "RMS(OBS, PRED)" CB 81 1.110 1
88 1 15 1 "RMS(OBS, PRED)" H 80 0.416 1
89 1 15 1 "RMS(OBS, PRED)" HA 85 0.261 1
90 1 15 1 "RMS(OBS, PRED)" N 79 2.498 1
91 1 16 1 "RMS(OBS, PRED)" C 82 0.864 1
92 1 16 1 "RMS(OBS, PRED)" CA 83 1.420 1
93 1 16 1 "RMS(OBS, PRED)" CB 81 1.158 1
94 1 16 1 "RMS(OBS, PRED)" H 80 0.408 1
95 1 16 1 "RMS(OBS, PRED)" HA 85 0.279 1
96 1 16 1 "RMS(OBS, PRED)" N 79 2.488 1
97 1 17 1 "RMS(OBS, PRED)" C 82 0.809 1
98 1 17 1 "RMS(OBS, PRED)" CA 83 1.223 1
99 1 17 1 "RMS(OBS, PRED)" CB 81 1.134 1
100 1 17 1 "RMS(OBS, PRED)" H 80 0.395 1
101 1 17 1 "RMS(OBS, PRED)" HA 85 0.298 1
102 1 17 1 "RMS(OBS, PRED)" N 79 2.637 1
103 1 18 1 "RMS(OBS, PRED)" C 82 0.862 1
104 1 18 1 "RMS(OBS, PRED)" CA 83 1.223 1
105 1 18 1 "RMS(OBS, PRED)" CB 81 1.177 1
106 1 18 1 "RMS(OBS, PRED)" H 80 0.435 1
107 1 18 1 "RMS(OBS, PRED)" HA 85 0.279 1
108 1 18 1 "RMS(OBS, PRED)" N 79 2.551 1
109 1 19 1 "RMS(OBS, PRED)" C 82 0.800 1
110 1 19 1 "RMS(OBS, PRED)" CA 83 1.316 1
111 1 19 1 "RMS(OBS, PRED)" CB 81 0.922 1
112 1 19 1 "RMS(OBS, PRED)" H 80 0.430 1
113 1 19 1 "RMS(OBS, PRED)" HA 85 0.250 1
114 1 19 1 "RMS(OBS, PRED)" N 79 2.570 1
115 1 20 1 "RMS(OBS, PRED)" C 82 0.840 1
116 1 20 1 "RMS(OBS, PRED)" CA 83 1.263 1
117 1 20 1 "RMS(OBS, PRED)" CB 81 1.103 1
118 1 20 1 "RMS(OBS, PRED)" H 80 0.420 1
119 1 20 1 "RMS(OBS, PRED)" HA 85 0.296 1
120 1 20 1 "RMS(OBS, PRED)" N 79 2.742 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 11 11 ALA HA H 11 4.252 4.263 -0.011 2
1 5 . 1 1 A 11 11 ALA CA C 11 52.471 51.682 0.788 2
1 6 . 1 1 A 11 11 ALA CB C 11 19.020 20.366 -1.346 2
1 7 . 1 1 A 12 12 ALA H H 12 8.179 8.310 -0.131 2
1 8 . 1 1 A 12 12 ALA HA H 12 4.291 4.461 -0.170 2
1 12 . 1 1 A 12 12 ALA C C 12 177.662 176.800 0.862 2
1 13 . 1 1 A 12 12 ALA CA C 12 52.444 51.719 0.725 2
1 14 . 1 1 A 12 12 ALA CB C 12 18.943 18.900 0.043 2
1 15 . 1 1 A 12 12 ALA N N 12 123.114 122.095 1.019 2
1 16 . 1 1 A 13 13 VAL H H 13 8.006 7.998 0.008 2
1 17 . 1 1 A 13 13 VAL HA H 13 4.100 4.317 -0.217 2
1 25 . 1 1 A 13 13 VAL C C 13 175.990 174.932 1.058 2
1 26 . 1 1 A 13 13 VAL CA C 13 62.182 61.413 0.769 2
1 27 . 1 1 A 13 13 VAL CB C 13 32.442 33.214 -0.772 2
1 29 . 1 1 A 13 13 VAL N N 13 119.213 120.030 -0.817 2
1 30 . 1 1 A 14 14 ARG H H 14 8.329 8.560 -0.231 2
1 31 . 1 1 A 14 14 ARG HA H 14 4.344 4.702 -0.358 2
1 38 . 1 1 A 14 14 ARG C C 14 175.844 175.376 0.468 2
1 39 . 1 1 A 14 14 ARG CA C 14 56.071 54.940 1.131 2
1 40 . 1 1 A 14 14 ARG CB C 14 31.099 31.802 -0.703 2
1 43 . 1 1 A 14 14 ARG N N 14 125.039 126.223 -1.184 2
1 44 . 1 1 A 15 15 LYS H H 15 8.147 8.479 -0.332 2
1 45 . 1 1 A 15 15 LYS HA H 15 4.552 4.454 0.098 2
1 54 . 1 1 A 15 15 LYS C C 15 176.186 176.847 -0.661 2
1 55 . 1 1 A 15 15 LYS CA C 15 55.632 56.324 -0.692 2
1 56 . 1 1 A 15 15 LYS CB C 15 33.543 33.266 0.277 2
1 60 . 1 1 A 15 15 LYS N N 15 121.711 123.219 -1.508 2
1 61 . 1 1 A 16 16 ILE H H 16 8.764 8.893 -0.129 2
1 62 . 1 1 A 16 16 ILE HA H 16 4.508 4.662 -0.154 2
1 72 . 1 1 A 16 16 ILE C C 16 174.333 174.837 -0.504 2
1 73 . 1 1 A 16 16 ILE CA C 16 59.343 59.509 -0.166 2
1 74 . 1 1 A 16 16 ILE CB C 16 41.575 39.672 1.903 2
1 78 . 1 1 A 16 16 ILE N N 16 116.484 119.576 -3.092 2
1 79 . 1 1 A 17 17 HIS H H 17 8.659 8.758 -0.099 2
1 80 . 1 1 A 17 17 HIS HA H 17 5.130 5.018 0.112 2
1 85 . 1 1 A 17 17 HIS C C 17 174.788 175.074 -0.286 2
1 86 . 1 1 A 17 17 HIS CA C 17 55.562 54.834 0.728 2
1 87 . 1 1 A 17 17 HIS CB C 17 30.047 29.566 0.481 2
1 90 . 1 1 A 17 17 HIS N N 17 119.826 122.160 -2.334 2
1 93 . 1 1 A 18 18 VAL H H 18 8.788 8.613 0.175 2
1 94 . 1 1 A 18 18 VAL HA H 18 4.681 4.635 0.046 2
1 102 . 1 1 A 18 18 VAL C C 18 174.631 175.060 -0.429 2
1 103 . 1 1 A 18 18 VAL CA C 18 59.568 60.959 -1.391 2
1 104 . 1 1 A 18 18 VAL CB C 18 34.191 33.128 1.063 2
1 107 . 1 1 A 18 18 VAL N N 18 117.203 120.280 -3.077 2
1 108 . 1 1 A 19 19 THR H H 19 8.746 9.024 -0.278 2
1 109 . 1 1 A 19 19 THR HA H 19 4.603 4.757 -0.154 2
1 114 . 1 1 A 19 19 THR C C 19 172.422 173.905 -1.483 2
1 115 . 1 1 A 19 19 THR CA C 19 62.159 62.092 0.067 2
1 116 . 1 1 A 19 19 THR CB C 19 69.640 69.298 0.342 2
1 118 . 1 1 A 19 19 THR N N 19 121.216 121.155 0.061 2
1 119 . 1 1 A 20 20 VAL H H 20 9.268 9.143 0.125 2
1 120 . 1 1 A 20 20 VAL HA H 20 4.426 4.408 0.018 2
1 128 . 1 1 A 20 20 VAL C C 20 174.013 174.784 -0.771 2
1 129 . 1 1 A 20 20 VAL CA C 20 61.312 61.564 -0.252 2
1 130 . 1 1 A 20 20 VAL CB C 20 31.567 31.884 -0.317 2
1 133 . 1 1 A 20 20 VAL N N 20 128.437 127.907 0.530 2
1 134 . 1 1 A 21 21 LYS H H 21 9.147 9.079 0.069 2
1 135 . 1 1 A 21 21 LYS HA H 21 4.759 4.744 0.015 2
1 144 . 1 1 A 21 21 LYS C C 21 175.935 175.265 0.670 2
1 145 . 1 1 A 21 21 LYS CA C 21 55.384 55.097 0.287 2
1 146 . 1 1 A 21 21 LYS CB C 21 34.197 33.011 1.186 2
1 150 . 1 1 A 21 21 LYS N N 21 126.951 127.844 -0.893 2
1 151 . 1 1 A 22 22 PHE H H 22 8.938 8.793 0.145 2
1 152 . 1 1 A 22 22 PHE HA H 22 4.846 4.736 0.110 2
1 158 . 1 1 A 22 22 PHE C C 22 174.843 175.701 -0.858 2
1 159 . 1 1 A 22 22 PHE CA C 22 56.918 56.162 0.756 2
1 160 . 1 1 A 22 22 PHE CB C 22 39.021 40.606 -1.585 2
1 163 . 1 1 A 22 22 PHE N N 22 127.843 124.138 3.705 2
1 164 . 1 1 A 23 23 PRO HA H 23 4.192 4.386 -0.194 2
1 171 . 1 1 A 23 23 PRO C C 23 177.813 177.740 0.073 2
1 172 . 1 1 A 23 23 PRO CA C 23 66.150 64.720 1.430 2
1 173 . 1 1 A 23 23 PRO CB C 23 31.588 31.739 -0.151 2
1 176 . 1 1 A 24 24 SER H H 24 8.115 8.598 -0.483 2
1 177 . 1 1 A 24 24 SER HA H 24 4.772 4.548 0.225 2
1 180 . 1 1 A 24 24 SER C C 24 173.836 174.419 -0.583 2
1 181 . 1 1 A 24 24 SER CA C 24 56.928 60.082 -3.154 2
1 182 . 1 1 A 24 24 SER CB C 24 64.789 64.352 0.437 2
1 183 . 1 1 A 24 24 SER N N 24 106.127 112.817 -6.690 2
1 184 . 1 1 A 25 25 LYS H H 25 7.321 7.862 -0.541 2
1 185 . 1 1 A 25 25 LYS HA H 25 4.739 4.795 -0.056 2
1 194 . 1 1 A 25 25 LYS C C 25 172.915 174.122 -1.207 2
1 195 . 1 1 A 25 25 LYS CA C 25 55.863 54.827 1.036 2
1 196 . 1 1 A 25 25 LYS CB C 25 34.621 35.482 -0.861 2
1 200 . 1 1 A 25 25 LYS N N 25 118.386 115.839 2.547 2
1 201 . 1 1 A 26 26 GLN H H 26 8.566 8.719 -0.153 2
1 202 . 1 1 A 26 26 GLN HA H 26 5.708 5.370 0.338 2
1 209 . 1 1 A 26 26 GLN C C 26 174.179 174.521 -0.342 2
1 210 . 1 1 A 26 26 GLN CA C 26 53.888 54.419 -0.531 2
1 211 . 1 1 A 26 26 GLN CB C 26 32.884 32.252 0.632 2
1 213 . 1 1 A 26 26 GLN N N 26 117.444 120.133 -2.689 2
1 215 . 1 1 A 27 27 PHE H H 27 8.564 8.500 0.064 2
1 216 . 1 1 A 27 27 PHE HA H 27 5.085 5.336 -0.251 2
1 224 . 1 1 A 27 27 PHE C C 27 173.234 172.339 0.895 2
1 225 . 1 1 A 27 27 PHE CA C 27 55.993 56.015 -0.022 2
1 226 . 1 1 A 27 27 PHE CB C 27 40.088 41.776 -1.688 2
1 230 . 1 1 A 27 27 PHE N N 27 117.565 121.432 -3.867 2
1 231 . 1 1 A 28 28 THR H H 28 8.801 8.752 0.049 2
1 232 . 1 1 A 28 28 THR HA H 28 5.419 5.328 0.091 2
1 237 . 1 1 A 28 28 THR C C 28 174.650 173.734 0.916 2
1 238 . 1 1 A 28 28 THR CA C 28 61.203 61.665 -0.462 2
1 239 . 1 1 A 28 28 THR CB C 28 70.508 70.927 -0.419 2
1 241 . 1 1 A 28 28 THR N N 28 115.093 115.739 -0.646 2
1 242 . 1 1 A 29 29 VAL H H 29 8.983 9.209 -0.226 2
1 243 . 1 1 A 29 29 VAL HA H 29 4.549 4.850 -0.301 2
1 251 . 1 1 A 29 29 VAL C C 29 173.686 174.662 -0.976 2
1 252 . 1 1 A 29 29 VAL CA C 29 60.118 60.435 -0.317 2
1 253 . 1 1 A 29 29 VAL CB C 29 35.498 35.407 0.091 2
1 256 . 1 1 A 29 29 VAL N N 29 121.743 125.254 -3.511 2
1 257 . 1 1 A 30 30 GLU H H 30 8.460 8.714 -0.254 2
1 258 . 1 1 A 30 30 GLU HA H 30 4.894 4.838 0.056 2
1 263 . 1 1 A 30 30 GLU C C 30 175.807 176.125 -0.318 2
1 264 . 1 1 A 30 30 GLU CA C 30 54.922 55.979 -1.057 2
1 265 . 1 1 A 30 30 GLU CB C 30 31.123 30.488 0.635 2
1 267 . 1 1 A 30 30 GLU N N 30 125.512 126.837 -1.325 2
1 268 . 1 1 A 31 31 VAL H H 31 8.917 8.597 0.320 2
1 269 . 1 1 A 31 31 VAL HA H 31 4.634 4.813 -0.179 2
1 277 . 1 1 A 31 31 VAL C C 31 174.136 174.010 0.126 2
1 278 . 1 1 A 31 31 VAL CA C 31 58.299 58.810 -0.511 2
1 279 . 1 1 A 31 31 VAL CB C 31 35.067 35.447 -0.380 2
1 282 . 1 1 A 31 31 VAL N N 31 118.900 117.836 1.064 2
1 283 . 1 1 A 32 32 ASP H H 32 9.032 8.599 0.433 2
1 284 . 1 1 A 32 32 ASP HA H 32 4.943 4.575 0.368 2
1 287 . 1 1 A 32 32 ASP C C 32 177.992 177.347 0.645 2
1 288 . 1 1 A 32 32 ASP CA C 32 53.428 54.206 -0.779 2
1 289 . 1 1 A 32 32 ASP CB C 32 42.939 42.458 0.481 2
1 290 . 1 1 A 32 32 ASP N N 32 121.708 124.413 -2.705 2
1 291 . 1 1 A 33 33 ARG H H 33 8.847 8.768 0.079 2
1 292 . 1 1 A 33 33 ARG HA H 33 3.952 4.039 -0.087 2
1 299 . 1 1 A 33 33 ARG C C 33 176.257 176.816 -0.559 2
1 300 . 1 1 A 33 33 ARG CA C 33 59.113 58.430 0.683 2
1 301 . 1 1 A 33 33 ARG CB C 33 30.011 29.822 0.189 2
1 304 . 1 1 A 33 33 ARG N N 33 121.873 124.393 -2.520 2
1 305 . 1 1 A 34 34 THR H H 34 8.058 8.122 -0.064 2
1 306 . 1 1 A 34 34 THR HA H 34 4.350 4.598 -0.248 2
1 311 . 1 1 A 34 34 THR C C 34 174.371 174.396 -0.025 2
1 312 . 1 1 A 34 34 THR CA C 34 60.432 61.866 -1.434 2
1 313 . 1 1 A 34 34 THR CB C 34 68.739 69.289 -0.550 2
1 315 . 1 1 A 34 34 THR N N 34 104.720 107.829 -3.109 2
1 316 . 1 1 A 35 35 GLU H H 35 7.473 7.582 -0.109 2
1 317 . 1 1 A 35 35 GLU HA H 35 4.239 4.236 0.003 2
1 322 . 1 1 A 35 35 GLU C C 35 176.021 176.079 -0.058 2
1 323 . 1 1 A 35 35 GLU CA C 35 56.921 56.784 0.137 2
1 324 . 1 1 A 35 35 GLU CB C 35 31.086 30.142 0.944 2
1 326 . 1 1 A 35 35 GLU N N 35 123.129 123.891 -0.762 2
1 327 . 1 1 A 36 36 THR H H 36 8.432 8.634 -0.202 2
1 328 . 1 1 A 36 36 THR HA H 36 4.987 4.942 0.045 2
1 333 . 1 1 A 36 36 THR C C 36 175.939 176.219 -0.280 2
1 334 . 1 1 A 36 36 THR CA C 36 60.249 60.955 -0.706 2
1 335 . 1 1 A 36 36 THR CB C 36 71.783 70.924 0.859 2
1 337 . 1 1 A 36 36 THR N N 36 112.476 116.808 -4.332 2
1 338 . 1 1 A 37 37 VAL H H 37 8.087 9.016 -0.929 2
1 339 . 1 1 A 37 37 VAL HA H 37 3.411 3.654 -0.243 2
1 347 . 1 1 A 37 37 VAL C C 37 178.249 177.649 0.600 2
1 348 . 1 1 A 37 37 VAL CA C 37 67.397 66.584 0.813 2
1 349 . 1 1 A 37 37 VAL CB C 37 31.567 31.427 0.140 2
1 352 . 1 1 A 37 37 VAL N N 37 121.215 123.114 -1.899 2
1 353 . 1 1 A 38 38 SER H H 38 8.863 7.951 0.912 2
1 354 . 1 1 A 38 38 SER HA H 38 4.760 4.212 0.548 2
1 357 . 1 1 A 38 38 SER C C 38 176.814 176.899 -0.085 2
1 358 . 1 1 A 38 38 SER CA C 38 57.746 61.543 -3.797 2
1 359 . 1 1 A 38 38 SER CB C 38 62.627 62.722 -0.095 2
1 360 . 1 1 A 38 38 SER N N 38 112.752 115.857 -3.105 2
1 361 . 1 1 A 39 39 SER H H 39 7.999 7.829 0.170 2
1 362 . 1 1 A 39 39 SER HA H 39 4.318 4.322 -0.004 2
1 365 . 1 1 A 39 39 SER C C 39 177.692 176.813 0.879 2
1 366 . 1 1 A 39 39 SER CA C 39 61.338 61.581 -0.243 2
1 367 . 1 1 A 39 39 SER CB C 39 62.349 63.129 -0.780 2
1 368 . 1 1 A 39 39 SER N N 39 117.918 116.855 1.063 2
1 369 . 1 1 A 40 40 LEU H H 40 8.227 8.197 0.030 2
1 370 . 1 1 A 40 40 LEU HA H 40 4.104 4.077 0.027 2
1 380 . 1 1 A 40 40 LEU C C 40 178.420 178.806 -0.386 2
1 381 . 1 1 A 40 40 LEU CA C 40 58.235 58.118 0.117 2
1 382 . 1 1 A 40 40 LEU CB C 40 40.797 41.824 -1.027 2
1 386 . 1 1 A 40 40 LEU N N 40 123.592 123.108 0.484 2
1 387 . 1 1 A 41 41 LYS H H 41 8.470 8.148 0.322 2
1 388 . 1 1 A 41 41 LYS HA H 41 3.824 3.998 -0.174 2
1 397 . 1 1 A 41 41 LYS C C 41 178.476 178.912 -0.436 2
1 398 . 1 1 A 41 41 LYS CA C 41 61.313 60.188 1.125 2
1 399 . 1 1 A 41 41 LYS CB C 41 32.414 32.070 0.344 2
1 403 . 1 1 A 41 41 LYS N N 41 118.401 118.588 -0.187 2
1 404 . 1 1 A 42 42 ASP H H 42 7.956 8.236 -0.280 2
1 405 . 1 1 A 42 42 ASP HA H 42 4.447 4.357 0.090 2
1 408 . 1 1 A 42 42 ASP C C 42 178.806 178.900 -0.094 2
1 409 . 1 1 A 42 42 ASP CA C 42 57.802 57.585 0.217 2
1 410 . 1 1 A 42 42 ASP CB C 42 40.585 41.776 -1.191 2
1 411 . 1 1 A 42 42 ASP N N 42 119.295 120.009 -0.714 2
1 412 . 1 1 A 43 43 LYS H H 43 8.024 7.852 0.172 2
1 413 . 1 1 A 43 43 LYS HA H 43 4.039 4.118 -0.079 2
1 422 . 1 1 A 43 43 LYS C C 43 179.941 179.558 0.383 2
1 423 . 1 1 A 43 43 LYS CA C 43 60.014 59.524 0.490 2
1 424 . 1 1 A 43 43 LYS CB C 43 32.865 32.434 0.431 2
1 428 . 1 1 A 43 43 LYS N N 43 119.784 118.095 1.689 2
1 429 . 1 1 A 44 44 ILE H H 44 8.480 8.028 0.452 2
1 430 . 1 1 A 44 44 ILE HA H 44 3.702 3.869 -0.167 2
1 440 . 1 1 A 44 44 ILE C C 44 177.328 178.455 -1.127 2
1 441 . 1 1 A 44 44 ILE CA C 44 65.725 65.193 0.532 2
1 442 . 1 1 A 44 44 ILE CB C 44 38.110 37.604 0.506 2
1 446 . 1 1 A 44 44 ILE N N 44 119.363 120.449 -1.086 2
1 447 . 1 1 A 45 45 HIS H H 45 8.635 8.388 0.247 2
1 448 . 1 1 A 45 45 HIS HA H 45 4.471 4.276 0.195 2
1 453 . 1 1 A 45 45 HIS C C 45 176.407 177.128 -0.721 2
1 454 . 1 1 A 45 45 HIS CA C 45 58.451 59.648 -1.197 2
1 455 . 1 1 A 45 45 HIS CB C 45 28.055 29.708 -1.653 2
1 458 . 1 1 A 45 45 HIS N N 45 118.889 119.780 -0.891 2
1 461 . 1 1 A 46 46 ILE H H 46 7.868 7.688 0.180 2
1 462 . 1 1 A 46 46 ILE HA H 46 3.571 3.614 -0.043 2
1 472 . 1 1 A 46 46 ILE C C 46 177.371 178.344 -0.973 2
1 473 . 1 1 A 46 46 ILE CA C 46 63.925 63.928 -0.003 2
1 474 . 1 1 A 46 46 ILE CB C 46 37.704 37.110 0.594 2
1 478 . 1 1 A 46 46 ILE N N 46 118.414 119.237 -0.823 2
1 479 . 1 1 A 47 47 VAL H H 47 7.223 7.465 -0.242 2
1 480 . 1 1 A 47 47 VAL HA H 47 3.684 3.636 0.048 2
1 488 . 1 1 A 47 47 VAL C C 47 176.706 175.971 0.735 2
1 489 . 1 1 A 47 47 VAL CA C 47 64.807 65.380 -0.573 2
1 490 . 1 1 A 47 47 VAL CB C 47 32.209 32.247 -0.038 2
1 493 . 1 1 A 47 47 VAL N N 47 116.982 119.255 -2.273 2
1 494 . 1 1 A 48 48 GLU H H 48 8.090 8.330 -0.240 2
1 495 . 1 1 A 48 48 GLU HA H 48 4.271 4.393 -0.122 2
1 500 . 1 1 A 48 48 GLU C C 48 176.042 176.334 -0.292 2
1 501 . 1 1 A 48 48 GLU CA C 48 55.062 54.995 0.067 2
1 502 . 1 1 A 48 48 GLU CB C 48 31.544 31.258 0.286 2
1 504 . 1 1 A 48 48 GLU N N 48 118.849 119.137 -0.288 2
1 505 . 1 1 A 49 49 ASN H H 49 8.113 8.612 -0.499 2
1 506 . 1 1 A 49 49 ASN HA H 49 4.137 4.657 -0.521 2
1 511 . 1 1 A 49 49 ASN C C 49 174.993 175.111 -0.118 2
1 512 . 1 1 A 49 49 ASN CA C 49 54.287 53.511 0.776 2
1 513 . 1 1 A 49 49 ASN CB C 49 37.647 38.508 -0.861 2
1 514 . 1 1 A 49 49 ASN N N 49 118.695 120.675 -1.980 2
1 516 . 1 1 A 50 50 THR H H 50 7.780 7.553 0.227 2
1 517 . 1 1 A 50 50 THR HA H 50 4.483 4.573 -0.090 2
1 522 . 1 1 A 50 50 THR C C 50 173.107 172.855 0.252 2
1 523 . 1 1 A 50 50 THR CA C 50 61.094 60.435 0.659 2
1 524 . 1 1 A 50 50 THR CB C 50 70.926 70.241 0.685 2
1 526 . 1 1 A 50 50 THR N N 50 118.434 116.441 1.993 2
1 527 . 1 1 A 51 51 PRO HA H 51 4.485 4.643 -0.158 2
1 534 . 1 1 A 51 51 PRO C C 51 178.067 177.707 0.360 2
1 535 . 1 1 A 51 51 PRO CA C 51 63.075 63.044 0.031 2
1 536 . 1 1 A 51 51 PRO CB C 51 31.996 32.647 -0.651 2
1 539 . 1 1 A 52 52 ILE H H 52 8.530 8.258 0.272 2
1 540 . 1 1 A 52 52 ILE HA H 52 3.764 3.860 -0.096 2
1 550 . 1 1 A 52 52 ILE C C 52 179.363 177.947 1.416 2
1 551 . 1 1 A 52 52 ILE CA C 52 64.855 63.872 0.983 2
1 552 . 1 1 A 52 52 ILE CB C 52 38.109 37.626 0.483 2
1 556 . 1 1 A 52 52 ILE N N 52 125.501 122.824 2.677 2
1 557 . 1 1 A 53 53 LYS H H 53 8.603 7.968 0.635 2
1 558 . 1 1 A 53 53 LYS HA H 53 4.180 4.190 -0.010 2
1 567 . 1 1 A 53 53 LYS C C 53 177.113 177.822 -0.709 2
1 568 . 1 1 A 53 53 LYS CA C 53 57.816 58.942 -1.126 2
1 569 . 1 1 A 53 53 LYS CB C 53 31.992 32.165 -0.173 2
1 573 . 1 1 A 53 53 LYS N N 53 117.464 120.322 -2.858 2
1 574 . 1 1 A 54 54 ARG H H 54 7.479 7.546 -0.067 2
1 575 . 1 1 A 54 54 ARG HA H 54 4.361 4.429 -0.068 2
1 582 . 1 1 A 54 54 ARG C C 54 175.507 176.137 -0.630 2
1 583 . 1 1 A 54 54 ARG CA C 54 56.051 57.096 -1.045 2
1 584 . 1 1 A 54 54 ARG CB C 54 31.559 31.338 0.221 2
1 587 . 1 1 A 54 54 ARG N N 54 114.601 117.222 -2.621 2
1 588 . 1 1 A 55 55 MET H H 55 7.479 7.454 0.025 2
1 589 . 1 1 A 55 55 MET HA H 55 4.435 4.809 -0.374 2
1 597 . 1 1 A 55 55 MET C C 55 175.276 175.176 0.100 2
1 598 . 1 1 A 55 55 MET CA C 55 57.365 54.144 3.221 2
1 599 . 1 1 A 55 55 MET CB C 55 35.142 34.146 0.996 2
1 602 . 1 1 A 55 55 MET N N 55 116.986 116.935 0.051 2
1 603 . 1 1 A 56 56 GLN H H 56 8.958 9.155 -0.198 2
1 604 . 1 1 A 56 56 GLN HA H 56 4.502 5.002 -0.500 2
1 611 . 1 1 A 56 56 GLN C C 56 173.429 174.526 -1.097 2
1 612 . 1 1 A 56 56 GLN CA C 56 54.982 54.359 0.623 2
1 613 . 1 1 A 56 56 GLN CB C 56 32.420 31.898 0.522 2
1 615 . 1 1 A 56 56 GLN N N 56 124.094 123.363 0.731 2
1 617 . 1 1 A 57 57 LEU H H 57 8.603 8.690 -0.087 2
1 618 . 1 1 A 57 57 LEU HA H 57 5.190 5.042 0.148 2
1 628 . 1 1 A 57 57 LEU C C 57 175.421 175.703 -0.282 2
1 629 . 1 1 A 57 57 LEU CA C 57 53.437 53.843 -0.406 2
1 630 . 1 1 A 57 57 LEU CB C 57 44.367 43.267 1.100 2
1 634 . 1 1 A 57 57 LEU N N 57 124.534 125.894 -1.360 2
1 635 . 1 1 A 58 58 TYR H H 58 9.319 9.383 -0.064 2
1 636 . 1 1 A 58 58 TYR HA H 58 5.145 5.316 -0.171 2
1 643 . 1 1 A 58 58 TYR C C 58 174.821 174.309 0.512 2
1 644 . 1 1 A 58 58 TYR CA C 58 56.503 56.546 -0.043 2
1 645 . 1 1 A 58 58 TYR CB C 58 43.323 41.625 1.698 2
1 648 . 1 1 A 58 58 TYR N N 58 119.746 122.677 -2.931 2
1 649 . 1 1 A 59 59 TYR H H 59 8.993 9.385 -0.392 2
1 650 . 1 1 A 59 59 TYR HA H 59 5.173 4.940 0.233 2
1 657 . 1 1 A 59 59 TYR C C 59 174.980 175.285 -0.305 2
1 658 . 1 1 A 59 59 TYR CA C 59 55.625 57.349 -1.724 2
1 659 . 1 1 A 59 59 TYR CB C 59 41.981 40.841 1.140 2
1 662 . 1 1 A 59 59 TYR N N 59 120.286 125.616 -5.330 2
1 663 . 1 1 A 60 60 SER H H 60 9.320 8.990 0.330 2
1 664 . 1 1 A 60 60 SER HA H 60 3.668 4.059 -0.391 2
1 667 . 1 1 A 60 60 SER C C 60 174.893 174.279 0.614 2
1 668 . 1 1 A 60 60 SER CA C 60 57.815 59.557 -1.742 2
1 669 . 1 1 A 60 60 SER CB C 60 62.602 61.724 0.878 2
1 670 . 1 1 A 60 60 SER N N 60 125.263 123.150 2.113 2
1 671 . 1 1 A 61 61 GLY H H 61 8.649 8.407 0.242 2
1 672 . 1 1 A 61 61 GLY HA2 H 61 4.035 3.988 0.047 2
1 673 . 1 1 A 61 61 GLY HA3 H 61 3.409 4.029 -0.621 2
1 674 . 1 1 A 61 61 GLY C C 61 173.346 173.829 -0.483 2
1 675 . 1 1 A 61 61 GLY CA C 61 44.726 45.270 -0.544 2
1 676 . 1 1 A 62 62 ILE H H 62 8.128 7.935 0.193 2
1 677 . 1 1 A 62 62 ILE HA H 62 4.304 4.230 0.074 2
1 687 . 1 1 A 62 62 ILE C C 62 174.950 175.250 -0.300 2
1 688 . 1 1 A 62 62 ILE CA C 62 59.396 60.385 -0.989 2
1 689 . 1 1 A 62 62 ILE CB C 62 39.110 38.346 0.764 2
1 693 . 1 1 A 62 62 ILE N N 62 123.077 121.932 1.145 2
1 694 . 1 1 A 63 63 GLU H H 63 8.697 8.724 -0.027 2
1 695 . 1 1 A 63 63 GLU HA H 63 3.534 4.101 -0.567 2
1 700 . 1 1 A 63 63 GLU C C 63 177.156 175.578 1.578 2
1 701 . 1 1 A 63 63 GLU CA C 63 55.231 55.923 -0.692 2
1 702 . 1 1 A 63 63 GLU CB C 63 29.804 29.811 -0.007 2
1 704 . 1 1 A 63 63 GLU N N 63 127.682 127.664 0.018 2
1 705 . 1 1 A 64 64 LEU H H 64 8.791 8.824 -0.033 2
1 706 . 1 1 A 64 64 LEU HA H 64 3.954 4.120 -0.166 2
1 716 . 1 1 A 64 64 LEU C C 64 176.428 176.593 -0.164 2
1 717 . 1 1 A 64 64 LEU CA C 64 52.211 54.118 -1.907 2
1 718 . 1 1 A 64 64 LEU CB C 64 37.239 39.891 -2.652 2
1 722 . 1 1 A 64 64 LEU N N 64 130.005 127.191 2.814 2
1 723 . 1 1 A 65 65 ALA H H 65 7.369 8.171 -0.802 2
1 724 . 1 1 A 65 65 ALA HA H 65 4.052 4.276 -0.224 2
1 728 . 1 1 A 65 65 ALA C C 65 176.322 177.059 -0.737 2
1 729 . 1 1 A 65 65 ALA CA C 65 53.207 53.187 0.020 2
1 730 . 1 1 A 65 65 ALA CB C 65 20.170 19.604 0.566 2
1 731 . 1 1 A 65 65 ALA N N 65 124.744 126.897 -2.153 2
1 732 . 1 1 A 66 66 ASP H H 66 7.472 7.461 0.011 2
1 733 . 1 1 A 66 66 ASP HA H 66 4.857 4.631 0.226 2
1 736 . 1 1 A 66 66 ASP C C 66 175.635 175.651 -0.016 2
1 737 . 1 1 A 66 66 ASP CA C 66 52.192 53.453 -1.261 2
1 738 . 1 1 A 66 66 ASP CB C 66 41.603 40.130 1.473 2
1 739 . 1 1 A 66 66 ASP N N 66 117.457 118.418 -0.961 2
1 740 . 1 1 A 67 67 ASP H H 67 8.541 8.790 -0.249 2
1 741 . 1 1 A 67 67 ASP HA H 67 4.209 4.337 -0.128 2
1 744 . 1 1 A 67 67 ASP C C 67 176.292 177.509 -1.217 2
1 745 . 1 1 A 67 67 ASP CA C 67 56.925 56.856 0.069 2
1 746 . 1 1 A 67 67 ASP CB C 67 40.835 40.603 0.232 2
1 747 . 1 1 A 67 67 ASP N N 67 124.544 125.266 -0.722 2
1 748 . 1 1 A 68 68 TYR H H 68 7.701 7.545 0.156 2
1 749 . 1 1 A 68 68 TYR HA H 68 4.589 4.478 0.111 2
1 756 . 1 1 A 68 68 TYR C C 68 175.742 176.031 -0.289 2
1 757 . 1 1 A 68 68 TYR CA C 68 56.622 58.326 -1.704 2
1 758 . 1 1 A 68 68 TYR CB C 68 37.607 38.340 -0.734 2
1 761 . 1 1 A 68 68 TYR N N 68 112.752 116.443 -3.691 2
1 762 . 1 1 A 69 69 ARG H H 69 7.182 7.332 -0.150 2
1 763 . 1 1 A 69 69 ARG HA H 69 4.245 4.471 -0.226 2
1 771 . 1 1 A 69 69 ARG C C 69 175.443 175.621 -0.178 2
1 772 . 1 1 A 69 69 ARG CA C 69 56.056 55.251 0.805 2
1 773 . 1 1 A 69 69 ARG CB C 69 31.536 31.145 0.392 2
1 776 . 1 1 A 69 69 ARG N N 69 122.155 122.331 -0.176 2
1 778 . 1 1 A 70 70 ASN H H 70 8.749 8.940 -0.191 2
1 779 . 1 1 A 70 70 ASN HA H 70 5.068 5.081 -0.013 2
1 784 . 1 1 A 70 70 ASN C C 70 177.349 176.686 0.663 2
1 785 . 1 1 A 70 70 ASN CA C 70 52.528 52.473 0.055 2
1 786 . 1 1 A 70 70 ASN CB C 70 39.856 39.941 -0.085 2
1 787 . 1 1 A 70 70 ASN N N 70 120.300 120.085 0.215 2
1 789 . 1 1 A 71 71 LEU H H 71 8.603 9.070 -0.467 2
1 790 . 1 1 A 71 71 LEU HA H 71 3.943 4.106 -0.163 2
1 800 . 1 1 A 71 71 LEU C C 71 179.470 178.947 0.523 2
1 801 . 1 1 A 71 71 LEU CA C 71 58.074 57.895 0.179 2
1 802 . 1 1 A 71 71 LEU CB C 71 39.446 41.444 -1.998 2
1 806 . 1 1 A 71 71 LEU N N 71 118.872 124.038 -5.166 2
1 807 . 1 1 A 72 72 ASN H H 72 8.561 8.425 0.136 2
1 808 . 1 1 A 72 72 ASN HA H 72 4.394 4.434 -0.040 2
1 813 . 1 1 A 72 72 ASN C C 72 178.592 177.284 1.308 2
1 814 . 1 1 A 72 72 ASN CA C 72 56.065 55.867 0.198 2
1 815 . 1 1 A 72 72 ASN CB C 72 37.663 37.815 -0.152 2
1 816 . 1 1 A 72 72 ASN N N 72 115.744 116.924 -1.180 2
1 818 . 1 1 A 73 73 GLU H H 73 7.979 7.893 0.086 2
1 819 . 1 1 A 73 73 GLU HA H 73 4.041 3.971 0.070 2
1 824 . 1 1 A 73 73 GLU C C 73 177.778 177.886 -0.108 2
1 825 . 1 1 A 73 73 GLU CA C 73 58.680 58.888 -0.208 2
1 826 . 1 1 A 73 73 GLU CB C 73 29.114 29.244 -0.130 2
1 828 . 1 1 A 73 73 GLU N N 73 121.014 119.595 1.419 2
1 829 . 1 1 A 74 74 TYR H H 74 7.500 7.365 0.135 2
1 830 . 1 1 A 74 74 TYR HA H 74 4.567 4.591 -0.024 2
1 837 . 1 1 A 74 74 TYR C C 74 175.592 175.940 -0.348 2
1 838 . 1 1 A 74 74 TYR CA C 74 58.790 58.017 0.773 2
1 839 . 1 1 A 74 74 TYR CB C 74 39.440 38.661 0.779 2
1 842 . 1 1 A 74 74 TYR N N 74 115.573 116.671 -1.098 2
1 843 . 1 1 A 75 75 GLY H H 75 7.702 7.896 -0.194 2
1 844 . 1 1 A 75 75 GLY HA2 H 75 4.274 3.995 0.279 2
1 845 . 1 1 A 75 75 GLY HA3 H 75 3.749 4.052 -0.303 2
1 846 . 1 1 A 75 75 GLY C C 75 174.007 174.633 -0.626 2
1 847 . 1 1 A 75 75 GLY CA C 75 45.133 46.051 -0.918 2
1 848 . 1 1 A 75 75 GLY N N 75 105.620 108.244 -2.624 2
1 849 . 1 1 A 76 76 ILE H H 76 6.628 7.749 -1.121 2
1 850 . 1 1 A 76 76 ILE HA H 76 3.170 3.829 -0.659 2
1 860 . 1 1 A 76 76 ILE C C 76 174.607 175.125 -0.518 2
1 861 . 1 1 A 76 76 ILE CA C 76 62.037 61.302 0.735 2
1 862 . 1 1 A 76 76 ILE CB C 76 36.805 37.337 -0.532 2
1 866 . 1 1 A 76 76 ILE N N 76 120.041 122.133 -2.092 2
1 867 . 1 1 A 77 77 THR H H 77 8.437 8.720 -0.283 2
1 868 . 1 1 A 77 77 THR HA H 77 4.420 4.684 -0.264 2
1 873 . 1 1 A 77 77 THR C C 77 172.893 173.062 -0.169 2
1 874 . 1 1 A 77 77 THR CA C 77 58.687 60.248 -1.561 2
1 875 . 1 1 A 77 77 THR CB C 77 70.917 71.150 -0.233 2
1 877 . 1 1 A 77 77 THR N N 77 121.014 121.846 -0.832 2
1 878 . 1 1 A 78 78 GLU H H 78 8.235 8.469 -0.234 2
1 879 . 1 1 A 78 78 GLU HA H 78 4.088 4.156 -0.068 2
1 884 . 1 1 A 78 78 GLU C C 78 177.242 176.853 0.389 2
1 885 . 1 1 A 78 78 GLU CA C 78 58.254 57.234 1.020 2
1 886 . 1 1 A 78 78 GLU CB C 78 29.336 30.473 -1.137 2
1 888 . 1 1 A 78 78 GLU N N 78 121.643 123.168 -1.525 2
1 889 . 1 1 A 79 79 PHE H H 79 9.152 8.701 0.451 2
1 890 . 1 1 A 79 79 PHE HA H 79 4.363 4.223 0.140 2
1 895 . 1 1 A 79 79 PHE C C 79 176.385 174.759 1.626 2
1 896 . 1 1 A 79 79 PHE CA C 79 59.552 59.019 0.533 2
1 897 . 1 1 A 79 79 PHE CB C 79 36.282 36.693 -0.411 2
1 899 . 1 1 A 79 79 PHE N N 79 118.909 121.628 -2.719 2
1 900 . 1 1 A 80 80 SER H H 80 8.341 7.872 0.469 2
1 901 . 1 1 A 80 80 SER HA H 80 4.576 4.725 -0.149 2
1 904 . 1 1 A 80 80 SER C C 80 171.629 173.857 -2.228 2
1 905 . 1 1 A 80 80 SER CA C 80 61.398 58.211 3.187 2
1 906 . 1 1 A 80 80 SER CB C 80 64.796 64.389 0.407 2
1 907 . 1 1 A 80 80 SER N N 80 118.396 114.296 4.100 2
1 908 . 1 1 A 81 81 GLU H H 81 8.692 8.710 -0.018 2
1 909 . 1 1 A 81 81 GLU HA H 81 5.115 4.722 0.393 2
1 914 . 1 1 A 81 81 GLU C C 81 174.993 175.386 -0.393 2
1 915 . 1 1 A 81 81 GLU CA C 81 54.749 55.676 -0.927 2
1 916 . 1 1 A 81 81 GLU CB C 81 31.666 30.586 1.080 2
1 918 . 1 1 A 81 81 GLU N N 81 122.155 124.320 -2.165 2
1 919 . 1 1 A 82 82 ILE H H 82 9.335 9.324 0.011 2
1 920 . 1 1 A 82 82 ILE HA H 82 4.796 4.696 0.100 2
1 930 . 1 1 A 82 82 ILE C C 82 174.350 175.070 -0.720 2
1 931 . 1 1 A 82 82 ILE CA C 82 58.543 59.903 -1.360 2
1 932 . 1 1 A 82 82 ILE CB C 82 39.050 38.330 0.720 2
1 936 . 1 1 A 82 82 ILE N N 82 127.389 127.091 0.298 2
1 937 . 1 1 A 83 83 VAL H H 83 9.136 9.247 -0.111 2
1 938 . 1 1 A 83 83 VAL HA H 83 4.359 4.298 0.061 2
1 946 . 1 1 A 83 83 VAL C C 83 174.971 175.220 -0.249 2
1 947 . 1 1 A 83 83 VAL CA C 83 61.756 62.158 -0.402 2
1 948 . 1 1 A 83 83 VAL CB C 83 33.537 31.891 1.646 2
1 951 . 1 1 A 83 83 VAL N N 83 128.322 128.468 -0.146 2
1 952 . 1 1 A 84 84 VAL H H 84 8.019 9.002 -0.983 2
1 953 . 1 1 A 84 84 VAL HA H 84 4.524 4.702 -0.178 2
1 961 . 1 1 A 84 84 VAL C C 84 175.090 174.991 0.099 2
1 962 . 1 1 A 84 84 VAL CA C 84 61.268 61.053 0.215 2
1 963 . 1 1 A 84 84 VAL CB C 84 32.543 31.613 0.929 2
1 966 . 1 1 A 84 84 VAL N N 84 125.746 128.289 -2.543 2
1 967 . 1 1 A 85 85 PHE H H 85 9.165 8.969 0.196 2
1 968 . 1 1 A 85 85 PHE HA H 85 4.795 4.980 -0.185 2
1 976 . 1 1 A 85 85 PHE C C 85 174.414 175.007 -0.593 2
1 977 . 1 1 A 85 85 PHE CA C 85 55.636 57.006 -1.370 2
1 978 . 1 1 A 85 85 PHE CB C 85 41.618 40.591 1.027 2
1 982 . 1 1 A 85 85 PHE N N 85 126.921 126.657 0.264 2
1 983 . 1 1 A 86 86 LEU H H 86 8.314 8.993 -0.679 2
1 984 . 1 1 A 86 86 LEU HA H 86 5.103 4.773 0.330 2
1 994 . 1 1 A 86 86 LEU C C 86 177.221 176.485 0.736 2
1 995 . 1 1 A 86 86 LEU CA C 86 52.667 54.027 -1.360 2
1 996 . 1 1 A 86 86 LEU CB C 86 42.493 42.155 0.338 2
1 1000 . 1 1 A 86 86 LEU N N 86 122.166 125.139 -2.973 2
1 1001 . 1 1 A 87 87 LYS H H 87 9.006 9.080 -0.074 2
1 1002 . 1 1 A 87 87 LYS HA H 87 4.276 4.575 -0.299 2
1 1011 . 1 1 A 87 87 LYS C C 87 176.685 176.038 0.647 2
1 1012 . 1 1 A 87 87 LYS CA C 87 56.069 56.263 -0.194 2
1 1013 . 1 1 A 87 87 LYS CB C 87 33.751 33.038 0.713 2
1 1017 . 1 1 A 87 87 LYS N N 87 124.552 125.034 -0.482 2
1 1018 . 1 1 A 88 88 SER H H 88 8.640 8.271 0.369 2
1 1019 . 1 1 A 88 88 SER HA H 88 4.461 4.685 -0.224 2
1 1022 . 1 1 A 88 88 SER C C 88 174.671 173.864 0.807 2
1 1023 . 1 1 A 88 88 SER CA C 88 58.244 57.952 0.292 2
1 1024 . 1 1 A 88 88 SER CB C 88 63.518 63.349 0.169 2
1 1025 . 1 1 A 88 88 SER N N 88 118.741 117.086 1.655 2
1 1026 . 1 1 A 89 89 ILE H H 89 8.401 8.299 0.102 2
1 1027 . 1 1 A 89 89 ILE HA H 89 4.173 4.486 -0.313 2
1 1037 . 1 1 A 89 89 ILE C C 89 175.828 175.511 0.317 2
1 1038 . 1 1 A 89 89 ILE CA C 89 61.240 60.799 0.441 2
1 1039 . 1 1 A 89 89 ILE CB C 89 38.930 38.917 0.013 2
1 1043 . 1 1 A 89 89 ILE N N 89 122.196 121.651 0.545 2
1 1044 . 1 1 A 90 90 ASN H H 90 8.479 8.343 0.136 2
1 1045 . 1 1 A 90 90 ASN HA H 90 4.709 5.018 -0.309 2
1 1050 . 1 1 A 90 90 ASN C C 90 174.971 174.543 0.428 2
1 1051 . 1 1 A 90 90 ASN CA C 90 52.863 52.549 0.314 2
1 1052 . 1 1 A 90 90 ASN CB C 90 38.726 39.868 -1.142 2
1 1053 . 1 1 A 90 90 ASN N N 90 122.645 122.279 0.366 2
1 1055 . 1 1 A 91 91 ARG H H 91 8.340 8.658 -0.318 2
1 1056 . 1 1 A 91 91 ARG HA H 91 4.321 4.544 -0.223 2
1 1063 . 1 1 A 91 91 ARG C C 91 175.850 175.661 0.189 2
1 1064 . 1 1 A 91 91 ARG CA C 91 55.708 56.138 -0.430 2
1 1065 . 1 1 A 91 91 ARG CB C 91 30.704 30.899 -0.195 2
1 1068 . 1 1 A 91 91 ARG N N 91 122.190 124.302 -2.112 2
1 1069 . 1 1 A 92 92 ALA H H 92 8.310 8.286 0.024 2
1 1070 . 1 1 A 92 92 ALA HA H 92 4.292 4.531 -0.239 2
1 1074 . 1 1 A 92 92 ALA C C 92 177.456 177.179 0.277 2
1 1075 . 1 1 A 92 92 ALA CA C 92 52.524 51.906 0.619 2
1 1076 . 1 1 A 92 92 ALA CB C 92 19.254 20.030 -0.776 2
1 1077 . 1 1 A 92 92 ALA N N 92 125.492 126.069 -0.577 2
1 1078 . 1 1 A 93 93 LYS H H 93 8.189 8.469 -0.280 2
1 1079 . 1 1 A 93 93 LYS HA H 93 4.318 4.543 -0.225 2
1 1088 . 1 1 A 93 93 LYS C C 93 175.357 175.307 0.050 2
1 1089 . 1 1 A 93 93 LYS CA C 93 56.059 56.382 -0.323 2
1 1090 . 1 1 A 93 93 LYS CB C 93 33.101 33.725 -0.624 2
1 1094 . 1 1 A 93 93 LYS N N 93 120.307 119.943 0.364 2
stop_
save_