data_15778_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15778
_Entry.PDB_ID 2K3U
_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 25
_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 11 . 1 1 1 A 2 2 SER HA H 32 4.469 4.729 -0.260 1
1 14 . 1 1 1 A 2 2 SER C C 32 174.865 174.620 0.245 1
1 15 . 1 1 1 A 2 2 SER CA C 32 58.680 57.661 1.019 1
1 16 . 1 1 1 A 2 2 SER CB C 32 63.805 64.341 -0.536 1
1 17 . 1 1 1 A 3 3 GLY H H 33 8.513 8.109 0.404 1
1 18 . 1 1 1 A 3 3 GLY HA2 H 33 3.972 3.943 0.029 1
1 19 . 1 1 1 A 3 3 GLY HA3 H 33 3.972 3.944 0.028 1
1 20 . 1 1 1 A 3 3 GLY C C 33 173.735 174.330 -0.595 1
1 21 . 1 1 1 A 3 3 GLY CA C 33 45.132 46.887 -1.755 1
1 22 . 1 1 1 A 3 3 GLY N N 33 110.526 110.867 -0.341 1
1 23 . 1 1 1 A 4 4 LEU H H 34 8.145 7.758 0.387 1
1 24 . 1 1 1 A 4 4 LEU HA H 34 4.599 4.805 -0.206 1
1 34 . 1 1 1 A 4 4 LEU C C 34 175.201 174.961 0.240 1
1 35 . 1 1 1 A 4 4 LEU CA C 34 53.002 51.541 1.461 1
1 36 . 1 1 1 A 4 4 LEU CB C 34 41.772 44.680 -2.908 1
1 40 . 1 1 1 A 4 4 LEU N N 34 122.423 120.384 2.039 1
1 41 . 1 1 1 A 5 5 PRO HA H 35 4.551 4.838 -0.287 1
1 48 . 1 1 1 A 5 5 PRO C C 35 176.487 176.505 -0.018 1
1 49 . 1 1 1 A 5 5 PRO CA C 35 62.771 62.803 -0.032 1
1 50 . 1 1 1 A 5 5 PRO CB C 35 32.488 33.401 -0.913 1
1 53 . 1 1 1 A 6 6 THR H H 36 8.447 8.509 -0.062 1
1 54 . 1 1 1 A 6 6 THR HA H 36 4.445 4.540 -0.095 1
1 59 . 1 1 1 A 6 6 THR C C 36 174.231 173.886 0.345 1
1 60 . 1 1 1 A 6 6 THR CA C 36 61.727 61.340 0.387 1
1 61 . 1 1 1 A 6 6 THR CB C 36 69.213 71.372 -2.159 1
1 63 . 1 1 1 A 6 6 THR N N 36 111.916 115.025 -3.109 1
1 64 . 1 1 1 A 7 7 THR H H 37 7.303 7.378 -0.075 1
1 65 . 1 1 1 A 7 7 THR HA H 37 5.232 4.830 0.402 1
1 70 . 1 1 1 A 7 7 THR C C 37 175.848 174.711 1.137 1
1 71 . 1 1 1 A 7 7 THR CA C 37 58.599 60.295 -1.696 1
1 72 . 1 1 1 A 7 7 THR CB C 37 71.971 71.725 0.246 1
1 74 . 1 1 1 A 7 7 THR N N 37 110.288 111.561 -1.273 1
1 75 . 1 1 1 A 8 8 LEU H H 38 9.065 8.834 0.231 1
1 76 . 1 1 1 A 8 8 LEU HA H 38 3.829 3.916 -0.087 1
1 86 . 1 1 1 A 8 8 LEU C C 38 177.964 178.777 -0.813 1
1 87 . 1 1 1 A 8 8 LEU CA C 38 57.613 58.014 -0.401 1
1 88 . 1 1 1 A 8 8 LEU CB C 38 41.058 41.425 -0.367 1
1 92 . 1 1 1 A 8 8 LEU N N 38 122.441 125.575 -3.134 1
1 93 . 1 1 1 A 9 9 GLY H H 39 8.753 8.215 0.538 1
1 94 . 1 1 1 A 9 9 GLY HA2 H 39 3.969 3.814 0.155 1
1 95 . 1 1 1 A 9 9 GLY HA3 H 39 3.769 3.814 -0.045 1
1 96 . 1 1 1 A 9 9 GLY C C 39 176.615 176.343 0.272 1
1 97 . 1 1 1 A 9 9 GLY CA C 39 47.314 47.016 0.298 1
1 98 . 1 1 1 A 9 9 GLY N N 39 104.356 106.734 -2.378 1
1 99 . 1 1 1 A 10 10 LYS H H 40 7.341 7.528 -0.187 1
1 100 . 1 1 1 A 10 10 LYS HA H 40 4.241 3.996 0.245 1
1 109 . 1 1 1 A 10 10 LYS C C 40 179.292 179.391 -0.099 1
1 110 . 1 1 1 A 10 10 LYS CA C 40 58.108 59.321 -1.213 1
1 111 . 1 1 1 A 10 10 LYS CB C 40 32.346 32.185 0.161 1
1 115 . 1 1 1 A 10 10 LYS N N 40 120.741 122.405 -1.664 1
1 116 . 1 1 1 A 11 11 LEU H H 41 8.033 7.785 0.248 1
1 117 . 1 1 1 A 11 11 LEU HA H 41 4.059 4.096 -0.037 1
1 127 . 1 1 1 A 11 11 LEU C C 41 177.253 177.927 -0.674 1
1 128 . 1 1 1 A 11 11 LEU CA C 41 57.978 57.615 0.363 1
1 129 . 1 1 1 A 11 11 LEU CB C 41 41.760 41.721 0.039 1
1 133 . 1 1 1 A 11 11 LEU N N 41 121.501 121.253 0.248 1
1 134 . 1 1 1 A 12 12 ASP H H 42 9.025 8.484 0.541 1
1 135 . 1 1 1 A 12 12 ASP HA H 42 4.045 4.249 -0.204 1
1 138 . 1 1 1 A 12 12 ASP C C 42 176.536 178.450 -1.914 1
1 139 . 1 1 1 A 12 12 ASP CA C 42 58.740 57.982 0.758 1
1 140 . 1 1 1 A 12 12 ASP CB C 42 44.783 42.215 2.568 1
1 141 . 1 1 1 A 12 12 ASP N N 42 119.776 119.233 0.543 1
1 142 . 1 1 1 A 13 13 GLU H H 43 7.253 8.197 -0.944 1
1 143 . 1 1 1 A 13 13 GLU HA H 43 3.869 4.061 -0.192 1
1 148 . 1 1 1 A 13 13 GLU C C 43 178.916 178.826 0.090 1
1 149 . 1 1 1 A 13 13 GLU CA C 43 59.511 59.279 0.232 1
1 150 . 1 1 1 A 13 13 GLU CB C 43 30.131 29.255 0.876 1
1 152 . 1 1 1 A 13 13 GLU N N 43 116.304 119.143 -2.839 1
1 153 . 1 1 1 A 14 14 ARG H H 44 7.234 7.507 -0.273 1
1 154 . 1 1 1 A 14 14 ARG HA H 44 3.920 4.176 -0.256 1
1 163 . 1 1 1 A 14 14 ARG C C 44 177.609 179.286 -1.677 1
1 164 . 1 1 1 A 14 14 ARG CA C 44 58.607 59.274 -0.667 1
1 165 . 1 1 1 A 14 14 ARG CB C 44 30.304 30.140 0.164 1
1 168 . 1 1 1 A 14 14 ARG N N 44 118.267 120.385 -2.118 1
1 171 . 1 1 1 A 15 15 LEU H H 45 8.734 8.617 0.117 1
1 172 . 1 1 1 A 15 15 LEU HA H 45 3.809 4.320 -0.511 1
1 182 . 1 1 1 A 15 15 LEU C C 45 179.204 180.178 -0.974 1
1 183 . 1 1 1 A 15 15 LEU CA C 45 58.248 58.317 -0.069 1
1 184 . 1 1 1 A 15 15 LEU CB C 45 42.076 41.374 0.702 1
1 188 . 1 1 1 A 15 15 LEU N N 45 117.856 119.906 -2.050 1
1 189 . 1 1 1 A 16 16 ARG H H 46 8.280 8.544 -0.264 1
1 190 . 1 1 1 A 16 16 ARG HA H 46 3.863 4.207 -0.344 1
1 200 . 1 1 1 A 16 16 ARG C C 46 179.432 178.401 1.031 1
1 201 . 1 1 1 A 16 16 ARG CA C 46 60.779 58.412 2.367 1
1 202 . 1 1 1 A 16 16 ARG CB C 46 29.824 29.580 0.244 1
1 205 . 1 1 1 A 16 16 ARG N N 46 115.954 118.857 -2.903 1
1 209 . 1 1 1 A 17 17 ASN H H 47 7.433 7.962 -0.529 1
1 210 . 1 1 1 A 17 17 ASN HA H 47 4.458 4.439 0.019 1
1 215 . 1 1 1 A 17 17 ASN C C 47 177.657 177.798 -0.141 1
1 216 . 1 1 1 A 17 17 ASN CA C 47 56.297 56.486 -0.189 1
1 217 . 1 1 1 A 17 17 ASN CB C 47 38.540 38.914 -0.374 1
1 219 . 1 1 1 A 17 17 ASN N N 47 118.514 118.170 0.344 1
1 221 . 1 1 1 A 18 18 TYR H H 48 8.945 8.422 0.523 1
1 222 . 1 1 1 A 18 18 TYR HA H 48 4.184 4.315 -0.131 1
1 229 . 1 1 1 A 18 18 TYR C C 48 177.806 178.278 -0.472 1
1 230 . 1 1 1 A 18 18 TYR CA C 48 58.651 60.926 -2.275 1
1 231 . 1 1 1 A 18 18 TYR CB C 48 36.527 37.580 -1.053 1
1 234 . 1 1 1 A 18 18 TYR N N 48 121.714 119.344 2.370 1
1 235 . 1 1 1 A 19 19 LEU H H 49 8.293 8.143 0.150 1
1 236 . 1 1 1 A 19 19 LEU HA H 49 3.410 3.622 -0.212 1
1 246 . 1 1 1 A 19 19 LEU C C 49 179.153 179.328 -0.175 1
1 247 . 1 1 1 A 19 19 LEU CA C 49 57.822 57.888 -0.066 1
1 248 . 1 1 1 A 19 19 LEU CB C 49 41.929 41.375 0.554 1
1 252 . 1 1 1 A 19 19 LEU N N 49 119.284 120.781 -1.497 1
1 253 . 1 1 1 A 20 20 LYS H H 50 7.322 7.522 -0.200 1
1 254 . 1 1 1 A 20 20 LYS HA H 50 3.893 3.930 -0.037 1
1 263 . 1 1 1 A 20 20 LYS C C 50 177.980 179.359 -1.379 1
1 264 . 1 1 1 A 20 20 LYS CA C 50 59.104 60.137 -1.033 1
1 265 . 1 1 1 A 20 20 LYS CB C 50 32.348 31.980 0.368 1
1 269 . 1 1 1 A 20 20 LYS N N 50 117.005 117.075 -0.070 1
1 270 . 1 1 1 A 21 21 LYS H H 51 7.435 8.399 -0.964 1
1 271 . 1 1 1 A 21 21 LYS HA H 51 4.080 4.072 0.008 1
1 280 . 1 1 1 A 21 21 LYS C C 51 178.971 178.124 0.847 1
1 281 . 1 1 1 A 21 21 LYS CA C 51 57.418 58.393 -0.975 1
1 282 . 1 1 1 A 21 21 LYS CB C 51 32.675 32.466 0.209 1
1 286 . 1 1 1 A 21 21 LYS N N 51 115.946 118.234 -2.288 1
1 287 . 1 1 1 A 22 22 GLY H H 52 8.290 7.602 0.688 1
1 288 . 1 1 1 A 22 22 GLY HA2 H 52 3.897 4.124 -0.227 1
1 289 . 1 1 1 A 22 22 GLY HA3 H 52 4.181 4.195 -0.014 1
1 290 . 1 1 1 A 22 22 GLY C C 52 173.610 173.922 -0.312 1
1 291 . 1 1 1 A 22 22 GLY CA C 52 45.088 45.316 -0.228 1
1 292 . 1 1 1 A 22 22 GLY N N 52 105.432 107.331 -1.899 1
1 293 . 1 1 1 A 23 23 THR H H 53 7.148 7.820 -0.672 1
1 294 . 1 1 1 A 23 23 THR HA H 53 4.838 4.487 0.351 1
1 300 . 1 1 1 A 23 23 THR C C 53 174.444 174.818 -0.374 1
1 301 . 1 1 1 A 23 23 THR CA C 53 59.766 60.278 -0.512 1
1 302 . 1 1 1 A 23 23 THR CB C 53 72.471 71.709 0.762 1
1 304 . 1 1 1 A 23 23 THR N N 53 107.608 112.667 -5.059 1
1 305 . 1 1 1 A 24 24 LYS H H 54 8.414 8.796 -0.382 1
1 306 . 1 1 1 A 24 24 LYS HA H 54 4.355 4.242 0.113 1
1 315 . 1 1 1 A 24 24 LYS C C 54 177.632 176.690 0.942 1
1 316 . 1 1 1 A 24 24 LYS CA C 54 57.393 57.417 -0.024 1
1 317 . 1 1 1 A 24 24 LYS CB C 54 32.806 33.094 -0.288 1
1 321 . 1 1 1 A 24 24 LYS N N 54 118.924 119.308 -0.384 1
1 322 . 1 1 1 A 25 25 ASN H H 55 7.823 7.801 0.022 1
1 323 . 1 1 1 A 25 25 ASN HA H 55 4.992 4.989 0.003 1
1 328 . 1 1 1 A 25 25 ASN C C 55 174.882 175.134 -0.252 1
1 329 . 1 1 1 A 25 25 ASN CA C 55 51.540 52.648 -1.108 1
1 330 . 1 1 1 A 25 25 ASN CB C 55 38.209 40.733 -2.524 1
1 332 . 1 1 1 A 25 25 ASN N N 55 116.576 116.154 0.422 1
1 334 . 1 1 1 A 26 26 SER H H 56 8.557 8.860 -0.303 1
1 335 . 1 1 1 A 26 26 SER HA H 56 4.145 4.453 -0.308 1
1 338 . 1 1 1 A 26 26 SER C C 56 176.886 176.606 0.280 1
1 339 . 1 1 1 A 26 26 SER CA C 56 61.051 60.344 0.707 1
1 340 . 1 1 1 A 26 26 SER CB C 56 62.398 63.448 -1.050 1
1 341 . 1 1 1 A 26 26 SER N N 56 118.968 120.836 -1.868 1
1 342 . 1 1 1 A 27 27 ALA H H 57 8.133 7.989 0.144 1
1 343 . 1 1 1 A 27 27 ALA HA H 57 4.277 4.153 0.124 1
1 347 . 1 1 1 A 27 27 ALA C C 57 177.779 179.074 -1.295 1
1 348 . 1 1 1 A 27 27 ALA CA C 57 54.020 54.414 -0.394 1
1 349 . 1 1 1 A 27 27 ALA CB C 57 18.258 18.234 0.024 1
1 350 . 1 1 1 A 27 27 ALA N N 57 125.334 122.660 2.674 1
1 351 . 1 1 1 A 28 28 GLN H H 58 7.113 8.198 -1.085 1
1 352 . 1 1 1 A 28 28 GLN HA H 58 4.262 4.210 0.052 1
1 359 . 1 1 1 A 28 28 GLN C C 58 174.984 176.025 -1.041 1
1 360 . 1 1 1 A 28 28 GLN CA C 58 56.272 56.673 -0.401 1
1 361 . 1 1 1 A 28 28 GLN CB C 58 28.627 27.742 0.885 1
1 364 . 1 1 1 A 28 28 GLN N N 58 112.472 114.088 -1.616 1
1 366 . 1 1 1 A 29 29 PHE H H 59 7.361 7.824 -0.463 1
1 367 . 1 1 1 A 29 29 PHE HA H 59 4.622 4.664 -0.042 1
1 375 . 1 1 1 A 29 29 PHE C C 59 173.987 175.417 -1.430 1
1 376 . 1 1 1 A 29 29 PHE CA C 59 59.534 58.694 0.840 1
1 377 . 1 1 1 A 29 29 PHE CB C 59 38.939 40.206 -1.267 1
1 381 . 1 1 1 A 29 29 PHE N N 59 118.258 119.708 -1.450 1
1 382 . 1 1 1 A 30 30 GLU H H 60 9.228 9.434 -0.206 1
1 383 . 1 1 1 A 30 30 GLU HA H 60 4.479 4.708 -0.229 1
1 388 . 1 1 1 A 30 30 GLU C C 60 176.282 175.930 0.352 1
1 389 . 1 1 1 A 30 30 GLU CA C 60 57.063 57.844 -0.781 1
1 390 . 1 1 1 A 30 30 GLU CB C 60 33.512 33.160 0.352 1
1 392 . 1 1 1 A 30 30 GLU N N 60 125.247 123.797 1.450 1
1 393 . 1 1 1 A 31 31 LYS H H 61 7.998 7.737 0.261 1
1 394 . 1 1 1 A 31 31 LYS HA H 61 5.074 4.898 0.176 1
1 403 . 1 1 1 A 31 31 LYS C C 61 172.325 174.516 -2.191 1
1 404 . 1 1 1 A 31 31 LYS CA C 61 54.881 55.097 -0.216 1
1 405 . 1 1 1 A 31 31 LYS CB C 61 35.683 35.701 -0.018 1
1 409 . 1 1 1 A 31 31 LYS N N 61 113.709 116.033 -2.324 1
1 410 . 1 1 1 A 32 32 MET H H 62 9.051 9.191 -0.140 1
1 411 . 1 1 1 A 32 32 MET HA H 62 5.630 5.488 0.142 1
1 419 . 1 1 1 A 32 32 MET C C 62 172.898 174.132 -1.234 1
1 420 . 1 1 1 A 32 32 MET CA C 62 53.043 53.413 -0.370 1
1 421 . 1 1 1 A 32 32 MET CB C 62 35.214 35.392 -0.178 1
1 424 . 1 1 1 A 32 32 MET N N 62 118.635 118.296 0.339 1
1 425 . 1 1 1 A 33 33 VAL H H 63 9.186 8.685 0.501 1
1 426 . 1 1 1 A 33 33 VAL HA H 63 4.700 4.878 -0.178 1
1 434 . 1 1 1 A 33 33 VAL C C 63 174.133 173.503 0.630 1
1 435 . 1 1 1 A 33 33 VAL CA C 63 61.351 59.849 1.502 1
1 436 . 1 1 1 A 33 33 VAL CB C 63 34.651 35.582 -0.931 1
1 439 . 1 1 1 A 33 33 VAL N N 63 122.441 118.943 3.498 1
1 440 . 1 1 1 A 34 34 ILE H H 64 9.244 8.914 0.330 1
1 441 . 1 1 1 A 34 34 ILE HA H 64 4.302 4.705 -0.403 1
1 451 . 1 1 1 A 34 34 ILE C C 64 174.924 174.519 0.405 1
1 452 . 1 1 1 A 34 34 ILE CA C 64 60.422 59.749 0.673 1
1 453 . 1 1 1 A 34 34 ILE CB C 64 41.255 41.232 0.023 1
1 457 . 1 1 1 A 34 34 ILE N N 64 127.876 127.690 0.186 1
1 458 . 1 1 1 A 35 35 LEU H H 65 9.117 9.251 -0.134 1
1 459 . 1 1 1 A 35 35 LEU HA H 65 5.531 5.592 -0.061 1
1 469 . 1 1 1 A 35 35 LEU C C 65 178.538 176.221 2.317 1
1 470 . 1 1 1 A 35 35 LEU CA C 65 53.047 53.130 -0.083 1
1 471 . 1 1 1 A 35 35 LEU CB C 65 43.797 44.090 -0.293 1
1 475 . 1 1 1 A 35 35 LEU N N 65 125.572 128.041 -2.469 1
1 476 . 1 1 1 A 36 36 THR H H 66 8.634 8.948 -0.314 1
1 477 . 1 1 1 A 36 36 THR HA H 66 5.212 5.381 -0.169 1
1 482 . 1 1 1 A 36 36 THR C C 66 174.918 174.385 0.533 1
1 483 . 1 1 1 A 36 36 THR CA C 66 59.374 59.577 -0.203 1
1 484 . 1 1 1 A 36 36 THR CB C 66 72.100 71.422 0.678 1
1 486 . 1 1 1 A 36 36 THR N N 66 112.840 114.831 -1.991 1
1 487 . 1 1 1 A 37 37 GLU H H 67 8.580 8.562 0.018 1
1 488 . 1 1 1 A 37 37 GLU HA H 67 4.469 4.115 0.354 1
1 493 . 1 1 1 A 37 37 GLU C C 67 177.333 176.915 0.418 1
1 494 . 1 1 1 A 37 37 GLU CA C 67 57.348 56.349 0.999 1
1 495 . 1 1 1 A 37 37 GLU CB C 67 31.357 30.546 0.811 1
1 497 . 1 1 1 A 37 37 GLU N N 67 118.675 121.724 -3.049 1
1 498 . 1 1 1 A 38 38 ASN H H 68 8.580 9.249 -0.669 1
1 499 . 1 1 1 A 38 38 ASN HA H 68 3.768 4.526 -0.758 1
1 504 . 1 1 1 A 38 38 ASN C C 68 172.921 174.663 -1.742 1
1 505 . 1 1 1 A 38 38 ASN CA C 68 54.686 54.581 0.105 1
1 506 . 1 1 1 A 38 38 ASN CB C 68 36.511 37.159 -0.648 1
1 508 . 1 1 1 A 38 38 ASN N N 68 114.341 116.603 -2.262 1
1 510 . 1 1 1 A 39 39 LYS H H 69 7.891 8.748 -0.857 1
1 511 . 1 1 1 A 39 39 LYS HA H 69 3.936 3.905 0.031 1
1 520 . 1 1 1 A 39 39 LYS C C 69 177.032 176.315 0.717 1
1 521 . 1 1 1 A 39 39 LYS CA C 69 56.758 57.502 -0.744 1
1 522 . 1 1 1 A 39 39 LYS CB C 69 28.099 29.797 -1.698 1
1 526 . 1 1 1 A 39 39 LYS N N 69 107.932 109.968 -2.036 1
1 527 . 1 1 1 A 40 40 GLY H H 70 6.998 7.831 -0.833 1
1 528 . 1 1 1 A 40 40 GLY HA2 H 70 4.362 3.956 0.406 1
1 529 . 1 1 1 A 40 40 GLY HA3 H 70 3.875 4.143 -0.268 1
1 530 . 1 1 1 A 40 40 GLY C C 70 173.763 172.123 1.640 1
1 531 . 1 1 1 A 40 40 GLY CA C 70 46.628 45.923 0.705 1
1 532 . 1 1 1 A 40 40 GLY N N 70 107.011 107.646 -0.635 1
1 533 . 1 1 1 A 41 41 TYR H H 71 7.679 8.573 -0.894 1
1 534 . 1 1 1 A 41 41 TYR HA H 71 5.097 5.458 -0.361 1
1 541 . 1 1 1 A 41 41 TYR C C 71 174.452 172.984 1.468 1
1 542 . 1 1 1 A 41 41 TYR CA C 71 57.730 56.467 1.263 1
1 543 . 1 1 1 A 41 41 TYR CB C 71 40.474 42.014 -1.540 1
1 546 . 1 1 1 A 41 41 TYR N N 71 129.822 123.752 6.070 1
1 547 . 1 1 1 A 42 42 TYR H H 72 9.101 8.493 0.608 1
1 548 . 1 1 1 A 42 42 TYR HA H 72 4.875 5.129 -0.254 1
1 555 . 1 1 1 A 42 42 TYR C C 72 174.448 174.530 -0.082 1
1 556 . 1 1 1 A 42 42 TYR CA C 72 56.114 56.582 -0.468 1
1 557 . 1 1 1 A 42 42 TYR CB C 72 41.115 42.870 -1.755 1
1 560 . 1 1 1 A 42 42 TYR N N 72 126.527 125.988 0.539 1
1 561 . 1 1 1 A 43 43 THR H H 73 9.022 8.672 0.350 1
1 562 . 1 1 1 A 43 43 THR HA H 73 4.876 5.111 -0.235 1
1 567 . 1 1 1 A 43 43 THR C C 73 174.791 172.365 2.426 1
1 568 . 1 1 1 A 43 43 THR CA C 73 62.821 60.285 2.536 1
1 569 . 1 1 1 A 43 43 THR CB C 73 68.769 71.256 -2.487 1
1 571 . 1 1 1 A 43 43 THR N N 73 120.810 115.798 5.012 1
1 572 . 1 1 1 A 44 44 VAL H H 74 9.233 9.100 0.133 1
1 573 . 1 1 1 A 44 44 VAL HA H 74 4.427 4.528 -0.101 1
1 581 . 1 1 1 A 44 44 VAL C C 74 175.094 174.768 0.326 1
1 582 . 1 1 1 A 44 44 VAL CA C 74 61.457 61.281 0.176 1
1 583 . 1 1 1 A 44 44 VAL CB C 74 35.669 34.876 0.793 1
1 586 . 1 1 1 A 44 44 VAL N N 74 129.156 126.592 2.564 1
1 587 . 1 1 1 A 45 45 TYR H H 75 9.384 8.872 0.512 1
1 588 . 1 1 1 A 45 45 TYR HA H 75 4.528 4.552 -0.024 1
1 595 . 1 1 1 A 45 45 TYR C C 75 176.497 176.366 0.131 1
1 596 . 1 1 1 A 45 45 TYR CA C 75 59.843 59.243 0.600 1
1 597 . 1 1 1 A 45 45 TYR CB C 75 38.245 38.609 -0.364 1
1 600 . 1 1 1 A 45 45 TYR N N 75 128.465 127.540 0.925 1
1 601 . 1 1 1 A 46 46 LEU H H 76 8.524 9.112 -0.588 1
1 602 . 1 1 1 A 46 46 LEU HA H 76 4.528 4.236 0.292 1
1 612 . 1 1 1 A 46 46 LEU C C 76 177.001 178.418 -1.417 1
1 613 . 1 1 1 A 46 46 LEU CA C 76 55.010 57.420 -2.410 1
1 614 . 1 1 1 A 46 46 LEU CB C 76 42.094 41.589 0.505 1
1 618 . 1 1 1 A 46 46 LEU N N 76 119.547 126.782 -7.235 1
1 619 . 1 1 1 A 47 47 ASN H H 77 8.599 7.706 0.893 1
1 620 . 1 1 1 A 47 47 ASN HA H 77 4.618 4.686 -0.068 1
1 625 . 1 1 1 A 47 47 ASN C C 77 173.844 175.322 -1.478 1
1 626 . 1 1 1 A 47 47 ASN CA C 77 54.045 55.356 -1.311 1
1 627 . 1 1 1 A 47 47 ASN CB C 77 37.058 38.865 -1.807 1
1 629 . 1 1 1 A 47 47 ASN N N 77 116.407 115.926 0.481 1
1 631 . 1 1 1 A 48 48 THR H H 78 7.429 7.611 -0.182 1
1 632 . 1 1 1 A 48 48 THR HA H 78 4.803 4.987 -0.184 1
1 637 . 1 1 1 A 48 48 THR C C 78 175.201 171.885 3.316 1
1 638 . 1 1 1 A 48 48 THR CA C 78 58.577 58.640 -0.063 1
1 639 . 1 1 1 A 48 48 THR CB C 78 70.494 70.663 -0.169 1
1 641 . 1 1 1 A 48 48 THR N N 78 111.551 109.584 1.967 1
1 642 . 1 1 1 A 49 49 PRO HA H 79 4.462 4.483 -0.021 1
1 649 . 1 1 1 A 49 49 PRO C C 79 176.670 176.929 -0.259 1
1 650 . 1 1 1 A 49 49 PRO CA C 79 62.384 63.001 -0.617 1
1 651 . 1 1 1 A 49 49 PRO CB C 79 32.205 32.103 0.102 1
1 654 . 1 1 1 A 50 50 LEU H H 80 9.049 8.308 0.741 1
1 655 . 1 1 1 A 50 50 LEU HA H 80 4.081 4.452 -0.371 1
1 665 . 1 1 1 A 50 50 LEU C C 80 176.758 176.703 0.055 1
1 666 . 1 1 1 A 50 50 LEU CA C 80 55.315 53.637 1.678 1
1 667 . 1 1 1 A 50 50 LEU CB C 80 41.915 42.727 -0.812 1
1 671 . 1 1 1 A 50 50 LEU N N 80 126.341 118.988 7.353 1
1 672 . 1 1 1 A 51 51 ALA H H 81 8.415 8.940 -0.525 1
1 673 . 1 1 1 A 51 51 ALA HA H 81 4.187 4.446 -0.259 1
1 677 . 1 1 1 A 51 51 ALA C C 81 179.005 178.405 0.600 1
1 678 . 1 1 1 A 51 51 ALA CA C 81 52.851 51.872 0.979 1
1 679 . 1 1 1 A 51 51 ALA CB C 81 19.625 20.065 -0.440 1
1 680 . 1 1 1 A 51 51 ALA N N 81 129.745 124.548 5.197 1
1 681 . 1 1 1 A 52 52 GLU H H 82 8.739 9.007 -0.268 1
1 682 . 1 1 1 A 52 52 GLU HA H 82 3.815 3.946 -0.131 1
1 687 . 1 1 1 A 52 52 GLU C C 82 178.591 177.901 0.690 1
1 688 . 1 1 1 A 52 52 GLU CA C 82 59.566 59.683 -0.117 1
1 689 . 1 1 1 A 52 52 GLU CB C 82 29.774 29.309 0.465 1
1 691 . 1 1 1 A 52 52 GLU N N 82 121.424 119.193 2.231 1
1 692 . 1 1 1 A 53 53 ASP H H 83 8.511 8.290 0.221 1
1 693 . 1 1 1 A 53 53 ASP HA H 83 4.427 4.442 -0.015 1
1 696 . 1 1 1 A 53 53 ASP C C 83 177.306 178.090 -0.784 1
1 697 . 1 1 1 A 53 53 ASP CA C 83 55.398 56.718 -1.320 1
1 698 . 1 1 1 A 53 53 ASP CB C 83 39.430 40.358 -0.928 1
1 699 . 1 1 1 A 53 53 ASP N N 83 114.043 118.629 -4.586 1
1 700 . 1 1 1 A 54 54 ARG H H 84 7.800 7.751 0.049 1
1 701 . 1 1 1 A 54 54 ARG HA H 84 4.527 4.248 0.279 1
1 710 . 1 1 1 A 54 54 ARG C C 84 176.966 178.400 -1.434 1
1 711 . 1 1 1 A 54 54 ARG CA C 84 55.915 57.962 -2.047 1
1 712 . 1 1 1 A 54 54 ARG CB C 84 31.804 30.769 1.035 1
1 715 . 1 1 1 A 54 54 ARG N N 84 118.147 119.318 -1.171 1
1 718 . 1 1 1 A 55 55 LYS H H 85 7.335 7.941 -0.606 1
1 719 . 1 1 1 A 55 55 LYS HA H 85 3.551 4.131 -0.580 1
1 728 . 1 1 1 A 55 55 LYS C C 85 178.113 177.623 0.490 1
1 729 . 1 1 1 A 55 55 LYS CA C 85 59.887 58.658 1.229 1
1 730 . 1 1 1 A 55 55 LYS CB C 85 32.935 32.258 0.677 1
1 734 . 1 1 1 A 55 55 LYS N N 85 116.576 119.703 -3.127 1
1 735 . 1 1 1 A 56 56 ASN H H 86 8.347 7.673 0.674 1
1 736 . 1 1 1 A 56 56 ASN HA H 86 4.886 4.872 0.014 1
1 741 . 1 1 1 A 56 56 ASN C C 86 174.736 174.853 -0.117 1
1 742 . 1 1 1 A 56 56 ASN CA C 86 52.265 52.861 -0.596 1
1 743 . 1 1 1 A 56 56 ASN CB C 86 38.239 39.821 -1.582 1
1 745 . 1 1 1 A 56 56 ASN N N 86 114.341 115.638 -1.297 1
1 747 . 1 1 1 A 57 57 VAL H H 87 6.985 7.124 -0.139 1
1 748 . 1 1 1 A 57 57 VAL HA H 87 3.746 4.113 -0.367 1
1 756 . 1 1 1 A 57 57 VAL C C 87 175.380 175.267 0.113 1
1 757 . 1 1 1 A 57 57 VAL CA C 87 63.723 62.350 1.373 1
1 758 . 1 1 1 A 57 57 VAL CB C 87 32.650 33.311 -0.661 1
1 761 . 1 1 1 A 57 57 VAL N N 87 121.424 121.444 -0.020 1
1 762 . 1 1 1 A 58 58 GLU H H 88 8.777 8.734 0.043 1
1 763 . 1 1 1 A 58 58 GLU HA H 88 4.339 4.859 -0.520 1
1 768 . 1 1 1 A 58 58 GLU C C 88 176.364 176.406 -0.042 1
1 769 . 1 1 1 A 58 58 GLU CA C 88 56.085 56.286 -0.201 1
1 770 . 1 1 1 A 58 58 GLU CB C 88 29.861 30.594 -0.733 1
1 772 . 1 1 1 A 58 58 GLU N N 88 129.489 128.411 1.078 1
1 773 . 1 1 1 A 59 59 LEU H H 89 8.230 8.555 -0.325 1
1 774 . 1 1 1 A 59 59 LEU HA H 89 4.299 4.503 -0.204 1
1 784 . 1 1 1 A 59 59 LEU C C 89 178.976 176.453 2.523 1
1 785 . 1 1 1 A 59 59 LEU CA C 89 54.651 54.861 -0.210 1
1 786 . 1 1 1 A 59 59 LEU CB C 89 42.596 41.670 0.926 1
1 790 . 1 1 1 A 59 59 LEU N N 89 124.395 127.391 -2.996 1
1 791 . 1 1 1 A 60 60 LEU H H 90 7.777 9.385 -1.608 1
1 792 . 1 1 1 A 60 60 LEU HA H 90 4.135 4.372 -0.237 1
1 802 . 1 1 1 A 60 60 LEU C C 90 176.394 177.137 -0.743 1
1 803 . 1 1 1 A 60 60 LEU CA C 90 56.754 56.659 0.095 1
1 804 . 1 1 1 A 60 60 LEU CB C 90 42.413 42.795 -0.382 1
1 808 . 1 1 1 A 60 60 LEU N N 90 119.734 125.901 -6.167 1
1 809 . 1 1 1 A 61 61 GLY H H 91 7.224 7.517 -0.293 1
1 810 . 1 1 1 A 61 61 GLY HA2 H 91 4.165 4.064 0.101 1
1 811 . 1 1 1 A 61 61 GLY HA3 H 91 3.899 4.088 -0.189 1
1 812 . 1 1 1 A 61 61 GLY C C 91 171.742 172.509 -0.767 1
1 813 . 1 1 1 A 61 61 GLY CA C 91 44.969 45.502 -0.533 1
1 814 . 1 1 1 A 61 61 GLY N N 91 103.707 104.146 -0.439 1
1 815 . 1 1 1 A 62 62 LYS H H 92 8.771 8.625 0.146 1
1 816 . 1 1 1 A 62 62 LYS HA H 92 4.150 4.373 -0.223 1
1 825 . 1 1 1 A 62 62 LYS C C 92 177.522 175.941 1.581 1
1 826 . 1 1 1 A 62 62 LYS CA C 92 56.750 56.122 0.628 1
1 827 . 1 1 1 A 62 62 LYS CB C 92 33.835 33.314 0.521 1
1 831 . 1 1 1 A 62 62 LYS N N 92 118.635 120.910 -2.275 1
1 832 . 1 1 1 A 63 63 MET H H 93 9.188 8.422 0.766 1
1 833 . 1 1 1 A 63 63 MET HA H 93 3.835 4.513 -0.678 1
1 841 . 1 1 1 A 63 63 MET C C 93 173.913 175.526 -1.613 1
1 842 . 1 1 1 A 63 63 MET CA C 93 59.275 53.920 5.355 1
1 843 . 1 1 1 A 63 63 MET CB C 93 31.483 31.013 0.470 1
1 846 . 1 1 1 A 63 63 MET N N 93 123.413 124.386 -0.973 1
1 847 . 1 1 1 A 64 64 TYR H H 94 9.421 8.484 0.937 1
1 848 . 1 1 1 A 64 64 TYR HA H 94 4.767 4.278 0.489 1
1 855 . 1 1 1 A 64 64 TYR C C 94 173.918 174.989 -1.071 1
1 856 . 1 1 1 A 64 64 TYR CA C 94 56.933 61.450 -4.517 1
1 857 . 1 1 1 A 64 64 TYR CB C 94 40.020 38.977 1.043 1
1 860 . 1 1 1 A 64 64 TYR N N 94 129.403 125.725 3.678 1
1 861 . 1 1 1 A 65 65 LYS H H 95 7.289 7.525 -0.236 1
1 862 . 1 1 1 A 65 65 LYS HA H 95 4.688 4.492 0.196 1
1 871 . 1 1 1 A 65 65 LYS C C 95 175.000 174.404 0.596 1
1 872 . 1 1 1 A 65 65 LYS CA C 95 55.841 54.875 0.966 1
1 873 . 1 1 1 A 65 65 LYS CB C 95 40.404 36.431 3.973 1
1 877 . 1 1 1 A 65 65 LYS N N 95 118.804 116.767 2.037 1
1 878 . 1 1 1 A 66 66 THR H H 96 8.727 7.941 0.786 1
1 879 . 1 1 1 A 66 66 THR HA H 96 5.149 5.259 -0.110 1
1 885 . 1 1 1 A 66 66 THR C C 96 172.120 172.513 -0.393 1
1 886 . 1 1 1 A 66 66 THR CA C 96 62.226 60.525 1.701 1
1 887 . 1 1 1 A 66 66 THR CB C 96 71.787 71.833 -0.046 1
1 889 . 1 1 1 A 66 66 THR N N 96 116.235 115.754 0.481 1
1 890 . 1 1 1 A 67 67 TYR H H 97 8.969 8.957 0.012 1
1 891 . 1 1 1 A 67 67 TYR HA H 97 5.027 5.075 -0.048 1
1 898 . 1 1 1 A 67 67 TYR C C 97 175.077 174.488 0.589 1
1 899 . 1 1 1 A 67 67 TYR CA C 97 57.278 56.529 0.749 1
1 900 . 1 1 1 A 67 67 TYR CB C 97 42.054 42.551 -0.497 1
1 903 . 1 1 1 A 67 67 TYR N N 97 125.256 124.014 1.242 1
1 904 . 1 1 1 A 68 68 PHE H H 98 9.189 8.923 0.266 1
1 905 . 1 1 1 A 68 68 PHE HA H 98 5.177 5.102 0.075 1
1 913 . 1 1 1 A 68 68 PHE C C 98 174.791 174.493 0.298 1
1 914 . 1 1 1 A 68 68 PHE CA C 98 57.825 56.588 1.237 1
1 915 . 1 1 1 A 68 68 PHE CB C 98 42.377 43.216 -0.839 1
1 919 . 1 1 1 A 68 68 PHE N N 98 118.574 119.793 -1.219 1
1 920 . 1 1 1 A 69 69 PHE H H 99 8.976 9.358 -0.382 1
1 921 . 1 1 1 A 69 69 PHE HA H 99 4.893 5.312 -0.419 1
1 929 . 1 1 1 A 69 69 PHE C C 99 176.386 175.535 0.851 1
1 930 . 1 1 1 A 69 69 PHE CA C 99 56.777 56.370 0.407 1
1 931 . 1 1 1 A 69 69 PHE CB C 99 41.371 42.676 -1.305 1
1 935 . 1 1 1 A 69 69 PHE N N 99 119.573 120.369 -0.796 1
1 936 . 1 1 1 A 70 70 LYS H H 100 9.479 9.003 0.476 1
1 937 . 1 1 1 A 70 70 LYS HA H 100 4.533 4.336 0.197 1
1 946 . 1 1 1 A 70 70 LYS C C 100 176.156 176.989 -0.833 1
1 947 . 1 1 1 A 70 70 LYS CA C 100 56.706 55.796 0.910 1
1 948 . 1 1 1 A 70 70 LYS CB C 100 33.667 33.111 0.556 1
1 952 . 1 1 1 A 70 70 LYS N N 100 125.614 122.708 2.906 1
1 953 . 1 1 1 A 71 71 LYS H H 101 8.068 8.684 -0.616 1
1 954 . 1 1 1 A 71 71 LYS HA H 101 4.188 4.168 0.020 1
1 963 . 1 1 1 A 71 71 LYS C C 101 177.655 177.005 0.650 1
1 964 . 1 1 1 A 71 71 LYS CA C 101 58.238 56.547 1.691 1
1 965 . 1 1 1 A 71 71 LYS CB C 101 32.342 30.464 1.878 1
1 969 . 1 1 1 A 71 71 LYS N N 101 121.057 122.083 -1.026 1
1 970 . 1 1 1 A 72 72 GLY H H 102 8.899 8.396 0.503 1
1 971 . 1 1 1 A 72 72 GLY HA2 H 102 4.196 4.085 0.111 1
1 972 . 1 1 1 A 72 72 GLY HA3 H 102 3.815 4.098 -0.283 1
1 973 . 1 1 1 A 72 72 GLY C C 102 173.997 174.048 -0.051 1
1 974 . 1 1 1 A 72 72 GLY CA C 102 45.802 44.966 0.836 1
1 975 . 1 1 1 A 72 72 GLY N N 102 114.112 106.099 8.013 1
1 976 . 1 1 1 A 73 73 GLU H H 103 8.047 7.875 0.172 1
1 977 . 1 1 1 A 73 73 GLU HA H 103 4.764 4.807 -0.043 1
1 982 . 1 1 1 A 73 73 GLU C C 103 175.975 175.975 0.000 1
1 983 . 1 1 1 A 73 73 GLU CA C 103 56.295 54.683 1.612 1
1 984 . 1 1 1 A 73 73 GLU CB C 103 31.153 31.520 -0.367 1
1 986 . 1 1 1 A 73 73 GLU N N 103 119.538 120.381 -0.843 1
1 987 . 1 1 1 A 74 74 SER H H 104 8.742 9.041 -0.299 1
1 988 . 1 1 1 A 74 74 SER HA H 104 4.598 4.665 -0.067 1
1 991 . 1 1 1 A 74 74 SER C C 104 171.916 173.467 -1.551 1
1 992 . 1 1 1 A 74 74 SER CA C 104 58.363 57.715 0.648 1
1 993 . 1 1 1 A 74 74 SER CB C 104 64.025 64.468 -0.443 1
1 994 . 1 1 1 A 74 74 SER N N 104 115.383 116.553 -1.170 1
1 995 . 1 1 1 A 75 75 LYS H H 105 7.608 7.535 0.073 1
1 996 . 1 1 1 A 75 75 LYS HA H 105 5.588 5.132 0.456 1
1 1005 . 1 1 1 A 75 75 LYS C C 105 176.017 174.631 1.386 1
1 1006 . 1 1 1 A 75 75 LYS CA C 105 54.548 55.623 -1.075 1
1 1007 . 1 1 1 A 75 75 LYS CB C 105 35.211 35.846 -0.635 1
1 1011 . 1 1 1 A 75 75 LYS N N 105 121.040 122.342 -1.302 1
1 1012 . 1 1 1 A 76 76 SER H H 106 8.231 9.132 -0.901 1
1 1013 . 1 1 1 A 76 76 SER HA H 106 3.377 4.311 -0.934 1
1 1016 . 1 1 1 A 76 76 SER C C 106 172.571 174.338 -1.767 1
1 1017 . 1 1 1 A 76 76 SER CA C 106 59.650 57.834 1.816 1
1 1018 . 1 1 1 A 76 76 SER CB C 106 64.857 64.196 0.661 1
1 1019 . 1 1 1 A 76 76 SER N N 106 121.783 119.030 2.753 1
1 1020 . 1 1 1 A 77 77 SER H H 107 8.333 8.718 -0.385 1
1 1021 . 1 1 1 A 77 77 SER HA H 107 5.025 4.719 0.306 1
1 1024 . 1 1 1 A 77 77 SER C C 107 174.507 173.571 0.936 1
1 1025 . 1 1 1 A 77 77 SER CA C 107 57.561 58.219 -0.658 1
1 1026 . 1 1 1 A 77 77 SER CB C 107 65.330 65.446 -0.116 1
1 1027 . 1 1 1 A 77 77 SER N N 107 106.276 117.054 -10.778 1
1 1028 . 1 1 1 A 78 78 TYR H H 108 7.825 7.215 0.610 1
1 1029 . 1 1 1 A 78 78 TYR HA H 108 4.754 4.724 0.030 1
1 1036 . 1 1 1 A 78 78 TYR C C 108 171.725 173.654 -1.929 1
1 1037 . 1 1 1 A 78 78 TYR CA C 108 57.778 56.821 0.957 1
1 1038 . 1 1 1 A 78 78 TYR CB C 108 43.223 41.862 1.361 1
1 1041 . 1 1 1 A 78 78 TYR N N 108 126.289 120.186 6.103 1
1 1042 . 1 1 1 A 79 79 VAL H H 109 7.760 8.258 -0.498 1
1 1043 . 1 1 1 A 79 79 VAL HA H 109 5.215 4.850 0.365 1
1 1051 . 1 1 1 A 79 79 VAL C C 109 172.526 174.042 -1.516 1
1 1052 . 1 1 1 A 79 79 VAL CA C 109 59.193 59.631 -0.438 1
1 1053 . 1 1 1 A 79 79 VAL CB C 109 36.173 36.003 0.170 1
1 1056 . 1 1 1 A 79 79 VAL N N 109 127.825 121.130 6.695 1
1 1057 . 1 1 1 A 80 80 ILE H H 110 8.616 8.315 0.301 1
1 1058 . 1 1 1 A 80 80 ILE HA H 110 4.011 4.436 -0.425 1
1 1068 . 1 1 1 A 80 80 ILE C C 110 174.690 174.281 0.409 1
1 1069 . 1 1 1 A 80 80 ILE CA C 110 60.922 60.055 0.867 1
1 1070 . 1 1 1 A 80 80 ILE CB C 110 42.047 41.416 0.631 1
1 1074 . 1 1 1 A 80 80 ILE N N 110 124.001 122.001 2.000 1
1 1075 . 1 1 1 A 81 81 ASN H H 111 8.937 8.293 0.644 1
1 1076 . 1 1 1 A 81 81 ASN HA H 111 4.760 5.330 -0.570 1
1 1081 . 1 1 1 A 81 81 ASN C C 111 175.326 175.162 0.164 1
1 1082 . 1 1 1 A 81 81 ASN CA C 111 53.600 51.488 2.112 1
1 1083 . 1 1 1 A 81 81 ASN CB C 111 40.412 41.120 -0.708 1
1 1085 . 1 1 1 A 81 81 ASN N N 111 126.229 124.164 2.065 1
1 1087 . 1 1 1 A 82 82 GLY H H 112 7.984 8.091 -0.107 1
1 1088 . 1 1 1 A 82 82 GLY HA2 H 112 4.457 4.199 0.258 1
1 1089 . 1 1 1 A 82 82 GLY HA3 H 112 3.847 4.220 -0.373 1
1 1090 . 1 1 1 A 82 82 GLY C C 112 171.875 170.882 0.993 1
1 1091 . 1 1 1 A 82 82 GLY CA C 112 43.303 45.429 -2.126 1
1 1092 . 1 1 1 A 82 82 GLY N N 112 110.894 108.125 2.769 1
1 1093 . 1 1 1 A 83 83 PRO HA H 113 4.609 4.398 0.211 1
1 1100 . 1 1 1 A 83 83 PRO C C 113 178.327 177.658 0.669 1
1 1101 . 1 1 1 A 83 83 PRO CA C 113 63.342 63.515 -0.173 1
1 1102 . 1 1 1 A 83 83 PRO CB C 113 32.232 31.698 0.534 1
1 1105 . 1 1 1 A 84 84 GLY H H 114 8.939 8.696 0.243 1
1 1106 . 1 1 1 A 84 84 GLY HA2 H 114 4.055 3.946 0.109 1
1 1107 . 1 1 1 A 84 84 GLY HA3 H 114 3.192 3.999 -0.807 1
1 1108 . 1 1 1 A 84 84 GLY C C 114 172.587 174.858 -2.271 1
1 1109 . 1 1 1 A 84 84 GLY CA C 114 44.667 45.423 -0.756 1
1 1110 . 1 1 1 A 84 84 GLY N N 114 109.324 111.329 -2.005 1
1 1111 . 1 1 1 A 85 85 LYS H H 115 9.550 8.180 1.370 1
1 1112 . 1 1 1 A 85 85 LYS HA H 115 4.527 3.935 0.592 1
1 1121 . 1 1 1 A 85 85 LYS C C 115 175.690 174.554 1.136 1
1 1122 . 1 1 1 A 85 85 LYS CA C 115 56.251 57.556 -1.305 1
1 1123 . 1 1 1 A 85 85 LYS CB C 115 34.217 32.235 1.982 1
1 1127 . 1 1 1 A 85 85 LYS N N 115 119.240 119.831 -0.591 1
1 1128 . 1 1 1 A 86 86 THR H H 116 7.327 7.368 -0.041 1
1 1129 . 1 1 1 A 86 86 THR HA H 116 3.572 3.931 -0.359 1
1 1134 . 1 1 1 A 86 86 THR C C 116 170.519 172.655 -2.136 1
1 1135 . 1 1 1 A 86 86 THR CA C 116 59.094 60.182 -1.088 1
1 1136 . 1 1 1 A 86 86 THR CB C 116 68.191 69.258 -1.067 1
1 1138 . 1 1 1 A 86 86 THR N N 116 113.403 111.173 2.230 1
1 1139 . 1 1 1 A 87 87 ASN H H 117 8.035 8.725 -0.690 1
1 1140 . 1 1 1 A 87 87 ASN HA H 117 4.914 4.907 0.007 1
1 1145 . 1 1 1 A 87 87 ASN C C 117 175.798 175.965 -0.167 1
1 1146 . 1 1 1 A 87 87 ASN CA C 117 52.062 55.101 -3.039 1
1 1147 . 1 1 1 A 87 87 ASN CB C 117 40.563 39.237 1.326 1
1 1149 . 1 1 1 A 87 87 ASN N N 117 118.907 122.310 -3.403 1
1 1151 . 1 1 1 A 88 88 GLU H H 118 8.362 7.502 0.860 1
1 1152 . 1 1 1 A 88 88 GLU HA H 118 4.116 4.548 -0.432 1
1 1157 . 1 1 1 A 88 88 GLU C C 118 175.935 175.811 0.124 1
1 1158 . 1 1 1 A 88 88 GLU CA C 118 55.589 56.107 -0.518 1
1 1159 . 1 1 1 A 88 88 GLU CB C 118 29.435 30.342 -0.907 1
1 1161 . 1 1 1 A 88 88 GLU N N 118 119.547 118.558 0.989 1
1 1162 . 1 1 1 A 89 89 TYR H H 119 7.918 9.013 -1.095 1
1 1163 . 1 1 1 A 89 89 TYR HA H 119 4.639 4.378 0.261 1
1 1170 . 1 1 1 A 89 89 TYR C C 119 175.750 175.805 -0.055 1
1 1171 . 1 1 1 A 89 89 TYR CA C 119 59.270 58.315 0.955 1
1 1172 . 1 1 1 A 89 89 TYR CB C 119 38.274 38.241 0.033 1
1 1175 . 1 1 1 A 89 89 TYR N N 119 118.293 126.238 -7.945 1
1 1176 . 1 1 1 A 90 90 ALA H H 120 8.285 8.662 -0.377 1
1 1177 . 1 1 1 A 90 90 ALA HA H 120 4.273 4.257 0.016 1
1 1181 . 1 1 1 A 90 90 ALA C C 120 175.773 176.390 -0.617 1
1 1182 . 1 1 1 A 90 90 ALA CA C 120 52.014 52.000 0.014 1
1 1183 . 1 1 1 A 90 90 ALA CB C 120 19.920 18.176 1.744 1
1 1184 . 1 1 1 A 90 90 ALA N N 120 126.212 127.829 -1.617 1
1 11 . 2 1 1 A 2 2 SER HA H 32 4.469 4.652 -0.183 1
1 14 . 2 1 1 A 2 2 SER C C 32 174.865 174.352 0.513 1
1 15 . 2 1 1 A 2 2 SER CA C 32 58.680 58.014 0.666 1
1 16 . 2 1 1 A 2 2 SER CB C 32 63.805 65.404 -1.599 1
1 17 . 2 1 1 A 3 3 GLY H H 33 8.513 7.667 0.846 1
1 18 . 2 1 1 A 3 3 GLY HA2 H 33 3.972 4.013 -0.041 1
1 19 . 2 1 1 A 3 3 GLY HA3 H 33 3.972 4.015 -0.043 1
1 20 . 2 1 1 A 3 3 GLY C C 33 173.735 172.697 1.038 1
1 21 . 2 1 1 A 3 3 GLY CA C 33 45.132 44.037 1.095 1
1 22 . 2 1 1 A 3 3 GLY N N 33 110.526 109.065 1.461 1
1 23 . 2 1 1 A 4 4 LEU H H 34 8.145 8.203 -0.058 1
1 24 . 2 1 1 A 4 4 LEU HA H 34 4.599 4.859 -0.260 1
1 34 . 2 1 1 A 4 4 LEU C C 34 175.201 174.214 0.987 1
1 35 . 2 1 1 A 4 4 LEU CA C 34 53.002 51.824 1.178 1
1 36 . 2 1 1 A 4 4 LEU CB C 34 41.772 44.094 -2.322 1
1 40 . 2 1 1 A 4 4 LEU N N 34 122.423 120.606 1.817 1
1 41 . 2 1 1 A 5 5 PRO HA H 35 4.551 4.581 -0.030 1
1 48 . 2 1 1 A 5 5 PRO C C 35 176.487 175.496 0.991 1
1 49 . 2 1 1 A 5 5 PRO CA C 35 62.771 62.776 -0.005 1
1 50 . 2 1 1 A 5 5 PRO CB C 35 32.488 32.688 -0.200 1
1 53 . 2 1 1 A 6 6 THR H H 36 8.447 8.586 -0.139 1
1 54 . 2 1 1 A 6 6 THR HA H 36 4.445 4.525 -0.080 1
1 59 . 2 1 1 A 6 6 THR C C 36 174.231 173.417 0.814 1
1 60 . 2 1 1 A 6 6 THR CA C 36 61.727 61.310 0.417 1
1 61 . 2 1 1 A 6 6 THR CB C 36 69.213 70.906 -1.693 1
1 63 . 2 1 1 A 6 6 THR N N 36 111.916 118.012 -6.096 1
1 64 . 2 1 1 A 7 7 THR H H 37 7.303 7.617 -0.314 1
1 65 . 2 1 1 A 7 7 THR HA H 37 5.232 4.816 0.416 1
1 70 . 2 1 1 A 7 7 THR C C 37 175.848 175.253 0.595 1
1 71 . 2 1 1 A 7 7 THR CA C 37 58.599 59.419 -0.820 1
1 72 . 2 1 1 A 7 7 THR CB C 37 71.971 70.837 1.134 1
1 74 . 2 1 1 A 7 7 THR N N 37 110.288 114.688 -4.400 1
1 75 . 2 1 1 A 8 8 LEU H H 38 9.065 8.606 0.459 1
1 76 . 2 1 1 A 8 8 LEU HA H 38 3.829 3.959 -0.130 1
1 86 . 2 1 1 A 8 8 LEU C C 38 177.964 178.829 -0.865 1
1 87 . 2 1 1 A 8 8 LEU CA C 38 57.613 57.846 -0.233 1
1 88 . 2 1 1 A 8 8 LEU CB C 38 41.058 41.325 -0.267 1
1 92 . 2 1 1 A 8 8 LEU N N 38 122.441 124.468 -2.027 1
1 93 . 2 1 1 A 9 9 GLY H H 39 8.753 8.144 0.609 1
1 94 . 2 1 1 A 9 9 GLY HA2 H 39 3.969 3.757 0.212 1
1 95 . 2 1 1 A 9 9 GLY HA3 H 39 3.769 3.760 0.009 1
1 96 . 2 1 1 A 9 9 GLY C C 39 176.615 175.719 0.896 1
1 97 . 2 1 1 A 9 9 GLY CA C 39 47.314 47.133 0.181 1
1 98 . 2 1 1 A 9 9 GLY N N 39 104.356 107.027 -2.671 1
1 99 . 2 1 1 A 10 10 LYS H H 40 7.341 7.972 -0.631 1
1 100 . 2 1 1 A 10 10 LYS HA H 40 4.241 3.999 0.242 1
1 109 . 2 1 1 A 10 10 LYS C C 40 179.292 179.313 -0.021 1
1 110 . 2 1 1 A 10 10 LYS CA C 40 58.108 59.310 -1.202 1
1 111 . 2 1 1 A 10 10 LYS CB C 40 32.346 32.245 0.101 1
1 115 . 2 1 1 A 10 10 LYS N N 40 120.741 122.376 -1.635 1
1 116 . 2 1 1 A 11 11 LEU H H 41 8.033 7.548 0.485 1
1 117 . 2 1 1 A 11 11 LEU HA H 41 4.059 4.085 -0.026 1
1 127 . 2 1 1 A 11 11 LEU C C 41 177.253 177.957 -0.704 1
1 128 . 2 1 1 A 11 11 LEU CA C 41 57.978 57.633 0.345 1
1 129 . 2 1 1 A 11 11 LEU CB C 41 41.760 41.699 0.061 1
1 133 . 2 1 1 A 11 11 LEU N N 41 121.501 121.471 0.030 1
1 134 . 2 1 1 A 12 12 ASP H H 42 9.025 8.463 0.562 1
1 135 . 2 1 1 A 12 12 ASP HA H 42 4.045 4.260 -0.215 1
1 138 . 2 1 1 A 12 12 ASP C C 42 176.536 178.409 -1.873 1
1 139 . 2 1 1 A 12 12 ASP CA C 42 58.740 58.046 0.694 1
1 140 . 2 1 1 A 12 12 ASP CB C 42 44.783 42.037 2.746 1
1 141 . 2 1 1 A 12 12 ASP N N 42 119.776 119.245 0.531 1
1 142 . 2 1 1 A 13 13 GLU H H 43 7.253 8.271 -1.018 1
1 143 . 2 1 1 A 13 13 GLU HA H 43 3.869 4.051 -0.182 1
1 148 . 2 1 1 A 13 13 GLU C C 43 178.916 178.902 0.014 1
1 149 . 2 1 1 A 13 13 GLU CA C 43 59.511 59.341 0.170 1
1 150 . 2 1 1 A 13 13 GLU CB C 43 30.131 29.234 0.897 1
1 152 . 2 1 1 A 13 13 GLU N N 43 116.304 118.890 -2.586 1
1 153 . 2 1 1 A 14 14 ARG H H 44 7.234 7.646 -0.412 1
1 154 . 2 1 1 A 14 14 ARG HA H 44 3.920 4.200 -0.280 1
1 163 . 2 1 1 A 14 14 ARG C C 44 177.609 179.375 -1.766 1
1 164 . 2 1 1 A 14 14 ARG CA C 44 58.607 59.113 -0.506 1
1 165 . 2 1 1 A 14 14 ARG CB C 44 30.304 30.138 0.166 1
1 168 . 2 1 1 A 14 14 ARG N N 44 118.267 120.182 -1.915 1
1 171 . 2 1 1 A 15 15 LEU H H 45 8.734 8.805 -0.071 1
1 172 . 2 1 1 A 15 15 LEU HA H 45 3.809 4.268 -0.459 1
1 182 . 2 1 1 A 15 15 LEU C C 45 179.204 179.445 -0.241 1
1 183 . 2 1 1 A 15 15 LEU CA C 45 58.248 58.186 0.062 1
1 184 . 2 1 1 A 15 15 LEU CB C 45 42.076 41.448 0.628 1
1 188 . 2 1 1 A 15 15 LEU N N 45 117.856 119.779 -1.923 1
1 189 . 2 1 1 A 16 16 ARG H H 46 8.280 8.518 -0.238 1
1 190 . 2 1 1 A 16 16 ARG HA H 46 3.863 4.173 -0.310 1
1 200 . 2 1 1 A 16 16 ARG C C 46 179.432 179.182 0.250 1
1 201 . 2 1 1 A 16 16 ARG CA C 46 60.779 59.300 1.479 1
1 202 . 2 1 1 A 16 16 ARG CB C 46 29.824 29.686 0.138 1
1 205 . 2 1 1 A 16 16 ARG N N 46 115.954 119.590 -3.636 1
1 209 . 2 1 1 A 17 17 ASN H H 47 7.433 7.954 -0.521 1
1 210 . 2 1 1 A 17 17 ASN HA H 47 4.458 4.454 0.004 1
1 215 . 2 1 1 A 17 17 ASN C C 47 177.657 177.819 -0.162 1
1 216 . 2 1 1 A 17 17 ASN CA C 47 56.297 56.374 -0.077 1
1 217 . 2 1 1 A 17 17 ASN CB C 47 38.540 38.580 -0.040 1
1 219 . 2 1 1 A 17 17 ASN N N 47 118.514 117.868 0.646 1
1 221 . 2 1 1 A 18 18 TYR H H 48 8.945 8.463 0.482 1
1 222 . 2 1 1 A 18 18 TYR HA H 48 4.184 4.325 -0.141 1
1 229 . 2 1 1 A 18 18 TYR C C 48 177.806 178.334 -0.528 1
1 230 . 2 1 1 A 18 18 TYR CA C 48 58.651 60.743 -2.092 1
1 231 . 2 1 1 A 18 18 TYR CB C 48 36.527 37.774 -1.247 1
1 234 . 2 1 1 A 18 18 TYR N N 48 121.714 119.342 2.372 1
1 235 . 2 1 1 A 19 19 LEU H H 49 8.293 8.290 0.003 1
1 236 . 2 1 1 A 19 19 LEU HA H 49 3.410 3.645 -0.235 1
1 246 . 2 1 1 A 19 19 LEU C C 49 179.153 179.093 0.060 1
1 247 . 2 1 1 A 19 19 LEU CA C 49 57.822 57.808 0.014 1
1 248 . 2 1 1 A 19 19 LEU CB C 49 41.929 41.243 0.686 1
1 252 . 2 1 1 A 19 19 LEU N N 49 119.284 120.522 -1.238 1
1 253 . 2 1 1 A 20 20 LYS H H 50 7.322 7.617 -0.295 1
1 254 . 2 1 1 A 20 20 LYS HA H 50 3.893 3.919 -0.026 1
1 263 . 2 1 1 A 20 20 LYS C C 50 177.980 179.837 -1.857 1
1 264 . 2 1 1 A 20 20 LYS CA C 50 59.104 60.058 -0.954 1
1 265 . 2 1 1 A 20 20 LYS CB C 50 32.348 32.115 0.233 1
1 269 . 2 1 1 A 20 20 LYS N N 50 117.005 117.326 -0.321 1
1 270 . 2 1 1 A 21 21 LYS H H 51 7.435 8.016 -0.581 1
1 271 . 2 1 1 A 21 21 LYS HA H 51 4.080 3.996 0.084 1
1 280 . 2 1 1 A 21 21 LYS C C 51 178.971 178.227 0.744 1
1 281 . 2 1 1 A 21 21 LYS CA C 51 57.418 59.102 -1.684 1
1 282 . 2 1 1 A 21 21 LYS CB C 51 32.675 32.252 0.423 1
1 286 . 2 1 1 A 21 21 LYS N N 51 115.946 119.549 -3.603 1
1 287 . 2 1 1 A 22 22 GLY H H 52 8.290 7.781 0.509 1
1 288 . 2 1 1 A 22 22 GLY HA2 H 52 3.897 4.019 -0.122 1
1 289 . 2 1 1 A 22 22 GLY HA3 H 52 4.181 4.087 0.094 1
1 290 . 2 1 1 A 22 22 GLY C C 52 173.610 173.694 -0.084 1
1 291 . 2 1 1 A 22 22 GLY CA C 52 45.088 45.343 -0.255 1
1 292 . 2 1 1 A 22 22 GLY N N 52 105.432 107.420 -1.988 1
1 293 . 2 1 1 A 23 23 THR H H 53 7.148 7.455 -0.307 1
1 294 . 2 1 1 A 23 23 THR HA H 53 4.838 4.596 0.242 1
1 300 . 2 1 1 A 23 23 THR C C 53 174.444 174.694 -0.250 1
1 301 . 2 1 1 A 23 23 THR CA C 53 59.766 59.352 0.414 1
1 302 . 2 1 1 A 23 23 THR CB C 53 72.471 71.574 0.897 1
1 304 . 2 1 1 A 23 23 THR N N 53 107.608 111.518 -3.910 1
1 305 . 2 1 1 A 24 24 LYS H H 54 8.414 8.370 0.044 1
1 306 . 2 1 1 A 24 24 LYS HA H 54 4.355 4.128 0.227 1
1 315 . 2 1 1 A 24 24 LYS C C 54 177.632 177.062 0.570 1
1 316 . 2 1 1 A 24 24 LYS CA C 54 57.393 58.288 -0.895 1
1 317 . 2 1 1 A 24 24 LYS CB C 54 32.806 32.872 -0.066 1
1 321 . 2 1 1 A 24 24 LYS N N 54 118.924 120.409 -1.485 1
1 322 . 2 1 1 A 25 25 ASN H H 55 7.823 7.953 -0.130 1
1 323 . 2 1 1 A 25 25 ASN HA H 55 4.992 4.872 0.120 1
1 328 . 2 1 1 A 25 25 ASN C C 55 174.882 174.809 0.073 1
1 329 . 2 1 1 A 25 25 ASN CA C 55 51.540 52.326 -0.786 1
1 330 . 2 1 1 A 25 25 ASN CB C 55 38.209 38.872 -0.663 1
1 332 . 2 1 1 A 25 25 ASN N N 55 116.576 115.830 0.746 1
1 334 . 2 1 1 A 26 26 SER H H 56 8.557 8.849 -0.292 1
1 335 . 2 1 1 A 26 26 SER HA H 56 4.145 4.408 -0.263 1
1 338 . 2 1 1 A 26 26 SER C C 56 176.886 176.186 0.700 1
1 339 . 2 1 1 A 26 26 SER CA C 56 61.051 61.734 -0.683 1
1 340 . 2 1 1 A 26 26 SER CB C 56 62.398 62.964 -0.566 1
1 341 . 2 1 1 A 26 26 SER N N 56 118.968 120.225 -1.257 1
1 342 . 2 1 1 A 27 27 ALA H H 57 8.133 8.228 -0.095 1
1 343 . 2 1 1 A 27 27 ALA HA H 57 4.277 4.110 0.167 1
1 347 . 2 1 1 A 27 27 ALA C C 57 177.779 180.134 -2.355 1
1 348 . 2 1 1 A 27 27 ALA CA C 57 54.020 55.004 -0.984 1
1 349 . 2 1 1 A 27 27 ALA CB C 57 18.258 18.168 0.090 1
1 350 . 2 1 1 A 27 27 ALA N N 57 125.334 124.714 0.620 1
1 351 . 2 1 1 A 28 28 GLN H H 58 7.113 7.760 -0.647 1
1 352 . 2 1 1 A 28 28 GLN HA H 58 4.262 4.190 0.072 1
1 359 . 2 1 1 A 28 28 GLN C C 58 174.984 176.229 -1.245 1
1 360 . 2 1 1 A 28 28 GLN CA C 58 56.272 57.342 -1.070 1
1 361 . 2 1 1 A 28 28 GLN CB C 58 28.627 27.932 0.695 1
1 364 . 2 1 1 A 28 28 GLN N N 58 112.472 113.891 -1.419 1
1 366 . 2 1 1 A 29 29 PHE H H 59 7.361 7.400 -0.039 1
1 367 . 2 1 1 A 29 29 PHE HA H 59 4.622 4.774 -0.152 1
1 375 . 2 1 1 A 29 29 PHE C C 59 173.987 176.016 -2.029 1
1 376 . 2 1 1 A 29 29 PHE CA C 59 59.534 59.125 0.409 1
1 377 . 2 1 1 A 29 29 PHE CB C 59 38.939 39.679 -0.740 1
1 381 . 2 1 1 A 29 29 PHE N N 59 118.258 119.489 -1.231 1
1 382 . 2 1 1 A 30 30 GLU H H 60 9.228 9.343 -0.115 1
1 383 . 2 1 1 A 30 30 GLU HA H 60 4.479 4.823 -0.344 1
1 388 . 2 1 1 A 30 30 GLU C C 60 176.282 175.650 0.632 1
1 389 . 2 1 1 A 30 30 GLU CA C 60 57.063 56.556 0.507 1
1 390 . 2 1 1 A 30 30 GLU CB C 60 33.512 32.121 1.391 1
1 392 . 2 1 1 A 30 30 GLU N N 60 125.247 118.860 6.387 1
1 393 . 2 1 1 A 31 31 LYS H H 61 7.998 7.639 0.359 1
1 394 . 2 1 1 A 31 31 LYS HA H 61 5.074 4.759 0.315 1
1 403 . 2 1 1 A 31 31 LYS C C 61 172.325 174.365 -2.040 1
1 404 . 2 1 1 A 31 31 LYS CA C 61 54.881 55.151 -0.270 1
1 405 . 2 1 1 A 31 31 LYS CB C 61 35.683 35.247 0.436 1
1 409 . 2 1 1 A 31 31 LYS N N 61 113.709 117.343 -3.634 1
1 410 . 2 1 1 A 32 32 MET H H 62 9.051 9.201 -0.150 1
1 411 . 2 1 1 A 32 32 MET HA H 62 5.630 5.513 0.117 1
1 419 . 2 1 1 A 32 32 MET C C 62 172.898 174.042 -1.144 1
1 420 . 2 1 1 A 32 32 MET CA C 62 53.043 53.373 -0.330 1
1 421 . 2 1 1 A 32 32 MET CB C 62 35.214 35.681 -0.467 1
1 424 . 2 1 1 A 32 32 MET N N 62 118.635 116.840 1.795 1
1 425 . 2 1 1 A 33 33 VAL H H 63 9.186 8.916 0.270 1
1 426 . 2 1 1 A 33 33 VAL HA H 63 4.700 5.029 -0.329 1
1 434 . 2 1 1 A 33 33 VAL C C 63 174.133 174.872 -0.739 1
1 435 . 2 1 1 A 33 33 VAL CA C 63 61.351 60.538 0.813 1
1 436 . 2 1 1 A 33 33 VAL CB C 63 34.651 35.833 -1.182 1
1 439 . 2 1 1 A 33 33 VAL N N 63 122.441 119.490 2.951 1
1 440 . 2 1 1 A 34 34 ILE H H 64 9.244 9.050 0.194 1
1 441 . 2 1 1 A 34 34 ILE HA H 64 4.302 4.958 -0.656 1
1 451 . 2 1 1 A 34 34 ILE C C 64 174.924 175.071 -0.147 1
1 452 . 2 1 1 A 34 34 ILE CA C 64 60.422 59.724 0.698 1
1 453 . 2 1 1 A 34 34 ILE CB C 64 41.255 41.789 -0.534 1
1 457 . 2 1 1 A 34 34 ILE N N 64 127.876 126.743 1.133 1
1 458 . 2 1 1 A 35 35 LEU H H 65 9.117 9.193 -0.076 1
1 459 . 2 1 1 A 35 35 LEU HA H 65 5.531 5.605 -0.074 1
1 469 . 2 1 1 A 35 35 LEU C C 65 178.538 176.396 2.142 1
1 470 . 2 1 1 A 35 35 LEU CA C 65 53.047 53.739 -0.692 1
1 471 . 2 1 1 A 35 35 LEU CB C 65 43.797 45.215 -1.418 1
1 475 . 2 1 1 A 35 35 LEU N N 65 125.572 126.850 -1.278 1
1 476 . 2 1 1 A 36 36 THR H H 66 8.634 8.880 -0.246 1
1 477 . 2 1 1 A 36 36 THR HA H 66 5.212 5.401 -0.189 1
1 482 . 2 1 1 A 36 36 THR C C 66 174.918 173.974 0.944 1
1 483 . 2 1 1 A 36 36 THR CA C 66 59.374 59.559 -0.185 1
1 484 . 2 1 1 A 36 36 THR CB C 66 72.100 71.949 0.151 1
1 486 . 2 1 1 A 36 36 THR N N 66 112.840 114.766 -1.926 1
1 487 . 2 1 1 A 37 37 GLU H H 67 8.580 8.544 0.036 1
1 488 . 2 1 1 A 37 37 GLU HA H 67 4.469 4.240 0.229 1
1 493 . 2 1 1 A 37 37 GLU C C 67 177.333 176.919 0.414 1
1 494 . 2 1 1 A 37 37 GLU CA C 67 57.348 56.266 1.082 1
1 495 . 2 1 1 A 37 37 GLU CB C 67 31.357 30.718 0.639 1
1 497 . 2 1 1 A 37 37 GLU N N 67 118.675 121.443 -2.768 1
1 498 . 2 1 1 A 38 38 ASN H H 68 8.580 9.246 -0.666 1
1 499 . 2 1 1 A 38 38 ASN HA H 68 3.768 4.577 -0.809 1
1 504 . 2 1 1 A 38 38 ASN C C 68 172.921 174.613 -1.692 1
1 505 . 2 1 1 A 38 38 ASN CA C 68 54.686 54.613 0.073 1
1 506 . 2 1 1 A 38 38 ASN CB C 68 36.511 37.088 -0.577 1
1 508 . 2 1 1 A 38 38 ASN N N 68 114.341 116.634 -2.293 1
1 510 . 2 1 1 A 39 39 LYS H H 69 7.891 8.594 -0.703 1
1 511 . 2 1 1 A 39 39 LYS HA H 69 3.936 3.802 0.134 1
1 520 . 2 1 1 A 39 39 LYS C C 69 177.032 176.156 0.876 1
1 521 . 2 1 1 A 39 39 LYS CA C 69 56.758 57.425 -0.667 1
1 522 . 2 1 1 A 39 39 LYS CB C 69 28.099 29.609 -1.510 1
1 526 . 2 1 1 A 39 39 LYS N N 69 107.932 109.882 -1.950 1
1 527 . 2 1 1 A 40 40 GLY H H 70 6.998 7.846 -0.848 1
1 528 . 2 1 1 A 40 40 GLY HA2 H 70 4.362 3.888 0.474 1
1 529 . 2 1 1 A 40 40 GLY HA3 H 70 3.875 4.024 -0.149 1
1 530 . 2 1 1 A 40 40 GLY C C 70 173.763 172.316 1.447 1
1 531 . 2 1 1 A 40 40 GLY CA C 70 46.628 45.655 0.973 1
1 532 . 2 1 1 A 40 40 GLY N N 70 107.011 107.483 -0.472 1
1 533 . 2 1 1 A 41 41 TYR H H 71 7.679 8.509 -0.830 1
1 534 . 2 1 1 A 41 41 TYR HA H 71 5.097 5.379 -0.282 1
1 541 . 2 1 1 A 41 41 TYR C C 71 174.452 172.781 1.671 1
1 542 . 2 1 1 A 41 41 TYR CA C 71 57.730 57.321 0.409 1
1 543 . 2 1 1 A 41 41 TYR CB C 71 40.474 41.982 -1.508 1
1 546 . 2 1 1 A 41 41 TYR N N 71 129.822 122.906 6.916 1
1 547 . 2 1 1 A 42 42 TYR H H 72 9.101 8.758 0.343 1
1 548 . 2 1 1 A 42 42 TYR HA H 72 4.875 4.835 0.040 1
1 555 . 2 1 1 A 42 42 TYR C C 72 174.448 173.873 0.575 1
1 556 . 2 1 1 A 42 42 TYR CA C 72 56.114 56.237 -0.123 1
1 557 . 2 1 1 A 42 42 TYR CB C 72 41.115 41.683 -0.568 1
1 560 . 2 1 1 A 42 42 TYR N N 72 126.527 126.349 0.178 1
1 561 . 2 1 1 A 43 43 THR H H 73 9.022 8.806 0.216 1
1 562 . 2 1 1 A 43 43 THR HA H 73 4.876 4.765 0.111 1
1 567 . 2 1 1 A 43 43 THR C C 73 174.791 173.476 1.315 1
1 568 . 2 1 1 A 43 43 THR CA C 73 62.821 61.087 1.734 1
1 569 . 2 1 1 A 43 43 THR CB C 73 68.769 70.316 -1.547 1
1 571 . 2 1 1 A 43 43 THR N N 73 120.810 119.038 1.772 1
1 572 . 2 1 1 A 44 44 VAL H H 74 9.233 8.755 0.478 1
1 573 . 2 1 1 A 44 44 VAL HA H 74 4.427 4.490 -0.063 1
1 581 . 2 1 1 A 44 44 VAL C C 74 175.094 174.187 0.907 1
1 582 . 2 1 1 A 44 44 VAL CA C 74 61.457 60.996 0.461 1
1 583 . 2 1 1 A 44 44 VAL CB C 74 35.669 35.223 0.446 1
1 586 . 2 1 1 A 44 44 VAL N N 74 129.156 127.390 1.766 1
1 587 . 2 1 1 A 45 45 TYR H H 75 9.384 8.858 0.526 1
1 588 . 2 1 1 A 45 45 TYR HA H 75 4.528 4.712 -0.184 1
1 595 . 2 1 1 A 45 45 TYR C C 75 176.497 175.747 0.750 1
1 596 . 2 1 1 A 45 45 TYR CA C 75 59.843 58.070 1.773 1
1 597 . 2 1 1 A 45 45 TYR CB C 75 38.245 39.465 -1.220 1
1 600 . 2 1 1 A 45 45 TYR N N 75 128.465 126.943 1.522 1
1 601 . 2 1 1 A 46 46 LEU H H 76 8.524 9.034 -0.510 1
1 602 . 2 1 1 A 46 46 LEU HA H 76 4.528 4.637 -0.109 1
1 612 . 2 1 1 A 46 46 LEU C C 76 177.001 178.381 -1.380 1
1 613 . 2 1 1 A 46 46 LEU CA C 76 55.010 54.743 0.267 1
1 614 . 2 1 1 A 46 46 LEU CB C 76 42.094 42.855 -0.761 1
1 618 . 2 1 1 A 46 46 LEU N N 76 119.547 124.200 -4.653 1
1 619 . 2 1 1 A 47 47 ASN H H 77 8.599 8.300 0.299 1
1 620 . 2 1 1 A 47 47 ASN HA H 77 4.618 4.769 -0.151 1
1 625 . 2 1 1 A 47 47 ASN C C 77 173.844 175.054 -1.210 1
1 626 . 2 1 1 A 47 47 ASN CA C 77 54.045 54.034 0.011 1
1 627 . 2 1 1 A 47 47 ASN CB C 77 37.058 38.504 -1.446 1
1 629 . 2 1 1 A 47 47 ASN N N 77 116.407 115.362 1.045 1
1 631 . 2 1 1 A 48 48 THR H H 78 7.429 7.483 -0.054 1
1 632 . 2 1 1 A 48 48 THR HA H 78 4.803 5.100 -0.297 1
1 637 . 2 1 1 A 48 48 THR C C 78 175.201 171.703 3.498 1
1 638 . 2 1 1 A 48 48 THR CA C 78 58.577 58.745 -0.168 1
1 639 . 2 1 1 A 48 48 THR CB C 78 70.494 70.655 -0.161 1
1 641 . 2 1 1 A 48 48 THR N N 78 111.551 110.478 1.073 1
1 642 . 2 1 1 A 49 49 PRO HA H 79 4.462 4.516 -0.054 1
1 649 . 2 1 1 A 49 49 PRO C C 79 176.670 176.673 -0.003 1
1 650 . 2 1 1 A 49 49 PRO CA C 79 62.384 62.910 -0.526 1
1 651 . 2 1 1 A 49 49 PRO CB C 79 32.205 32.027 0.178 1
1 654 . 2 1 1 A 50 50 LEU H H 80 9.049 8.324 0.725 1
1 655 . 2 1 1 A 50 50 LEU HA H 80 4.081 4.642 -0.561 1
1 665 . 2 1 1 A 50 50 LEU C C 80 176.758 176.793 -0.035 1
1 666 . 2 1 1 A 50 50 LEU CA C 80 55.315 53.075 2.240 1
1 667 . 2 1 1 A 50 50 LEU CB C 80 41.915 43.775 -1.860 1
1 671 . 2 1 1 A 50 50 LEU N N 80 126.341 118.480 7.861 1
1 672 . 2 1 1 A 51 51 ALA H H 81 8.415 8.866 -0.451 1
1 673 . 2 1 1 A 51 51 ALA HA H 81 4.187 4.414 -0.227 1
1 677 . 2 1 1 A 51 51 ALA C C 81 179.005 178.563 0.442 1
1 678 . 2 1 1 A 51 51 ALA CA C 81 52.851 52.287 0.564 1
1 679 . 2 1 1 A 51 51 ALA CB C 81 19.625 19.129 0.496 1
1 680 . 2 1 1 A 51 51 ALA N N 81 129.745 123.021 6.724 1
1 681 . 2 1 1 A 52 52 GLU H H 82 8.739 8.981 -0.242 1
1 682 . 2 1 1 A 52 52 GLU HA H 82 3.815 3.980 -0.165 1
1 687 . 2 1 1 A 52 52 GLU C C 82 178.591 178.044 0.547 1
1 688 . 2 1 1 A 52 52 GLU CA C 82 59.566 59.513 0.053 1
1 689 . 2 1 1 A 52 52 GLU CB C 82 29.774 29.268 0.506 1
1 691 . 2 1 1 A 52 52 GLU N N 82 121.424 121.776 -0.352 1
1 692 . 2 1 1 A 53 53 ASP H H 83 8.511 8.285 0.226 1
1 693 . 2 1 1 A 53 53 ASP HA H 83 4.427 4.413 0.014 1
1 696 . 2 1 1 A 53 53 ASP C C 83 177.306 178.433 -1.127 1
1 697 . 2 1 1 A 53 53 ASP CA C 83 55.398 56.498 -1.100 1
1 698 . 2 1 1 A 53 53 ASP CB C 83 39.430 40.472 -1.042 1
1 699 . 2 1 1 A 53 53 ASP N N 83 114.043 119.649 -5.606 1
1 700 . 2 1 1 A 54 54 ARG H H 84 7.800 7.770 0.030 1
1 701 . 2 1 1 A 54 54 ARG HA H 84 4.527 4.264 0.263 1
1 710 . 2 1 1 A 54 54 ARG C C 84 176.966 178.340 -1.374 1
1 711 . 2 1 1 A 54 54 ARG CA C 84 55.915 57.422 -1.507 1
1 712 . 2 1 1 A 54 54 ARG CB C 84 31.804 30.389 1.415 1
1 715 . 2 1 1 A 54 54 ARG N N 84 118.147 118.981 -0.834 1
1 718 . 2 1 1 A 55 55 LYS H H 85 7.335 7.749 -0.414 1
1 719 . 2 1 1 A 55 55 LYS HA H 85 3.551 4.076 -0.525 1
1 728 . 2 1 1 A 55 55 LYS C C 85 178.113 177.800 0.313 1
1 729 . 2 1 1 A 55 55 LYS CA C 85 59.887 59.197 0.690 1
1 730 . 2 1 1 A 55 55 LYS CB C 85 32.935 32.504 0.431 1
1 734 . 2 1 1 A 55 55 LYS N N 85 116.576 119.415 -2.839 1
1 735 . 2 1 1 A 56 56 ASN H H 86 8.347 7.535 0.812 1
1 736 . 2 1 1 A 56 56 ASN HA H 86 4.886 4.795 0.091 1
1 741 . 2 1 1 A 56 56 ASN C C 86 174.736 175.096 -0.360 1
1 742 . 2 1 1 A 56 56 ASN CA C 86 52.265 52.906 -0.641 1
1 743 . 2 1 1 A 56 56 ASN CB C 86 38.239 39.672 -1.433 1
1 745 . 2 1 1 A 56 56 ASN N N 86 114.341 114.899 -0.558 1
1 747 . 2 1 1 A 57 57 VAL H H 87 6.985 7.417 -0.432 1
1 748 . 2 1 1 A 57 57 VAL HA H 87 3.746 4.060 -0.314 1
1 756 . 2 1 1 A 57 57 VAL C C 87 175.380 175.983 -0.603 1
1 757 . 2 1 1 A 57 57 VAL CA C 87 63.723 62.510 1.213 1
1 758 . 2 1 1 A 57 57 VAL CB C 87 32.650 33.242 -0.592 1
1 761 . 2 1 1 A 57 57 VAL N N 87 121.424 121.662 -0.238 1
1 762 . 2 1 1 A 58 58 GLU H H 88 8.777 8.579 0.198 1
1 763 . 2 1 1 A 58 58 GLU HA H 88 4.339 4.563 -0.224 1
1 768 . 2 1 1 A 58 58 GLU C C 88 176.364 176.109 0.255 1
1 769 . 2 1 1 A 58 58 GLU CA C 88 56.085 56.304 -0.219 1
1 770 . 2 1 1 A 58 58 GLU CB C 88 29.861 30.056 -0.195 1
1 772 . 2 1 1 A 58 58 GLU N N 88 129.489 126.704 2.785 1
1 773 . 2 1 1 A 59 59 LEU H H 89 8.230 8.786 -0.556 1
1 774 . 2 1 1 A 59 59 LEU HA H 89 4.299 4.383 -0.084 1
1 784 . 2 1 1 A 59 59 LEU C C 89 178.976 178.012 0.964 1
1 785 . 2 1 1 A 59 59 LEU CA C 89 54.651 55.613 -0.962 1
1 786 . 2 1 1 A 59 59 LEU CB C 89 42.596 41.798 0.798 1
1 790 . 2 1 1 A 59 59 LEU N N 89 124.395 126.666 -2.271 1
1 791 . 2 1 1 A 60 60 LEU H H 90 7.777 9.335 -1.558 1
1 792 . 2 1 1 A 60 60 LEU HA H 90 4.135 4.213 -0.078 1
1 802 . 2 1 1 A 60 60 LEU C C 90 176.394 176.933 -0.539 1
1 803 . 2 1 1 A 60 60 LEU CA C 90 56.754 56.954 -0.200 1
1 804 . 2 1 1 A 60 60 LEU CB C 90 42.413 42.689 -0.276 1
1 808 . 2 1 1 A 60 60 LEU N N 90 119.734 125.050 -5.316 1
1 809 . 2 1 1 A 61 61 GLY H H 91 7.224 7.514 -0.290 1
1 810 . 2 1 1 A 61 61 GLY HA2 H 91 4.165 4.100 0.065 1
1 811 . 2 1 1 A 61 61 GLY HA3 H 91 3.899 4.118 -0.219 1
1 812 . 2 1 1 A 61 61 GLY C C 91 171.742 172.437 -0.695 1
1 813 . 2 1 1 A 61 61 GLY CA C 91 44.969 45.684 -0.715 1
1 814 . 2 1 1 A 61 61 GLY N N 91 103.707 104.448 -0.741 1
1 815 . 2 1 1 A 62 62 LYS H H 92 8.771 8.773 -0.002 1
1 816 . 2 1 1 A 62 62 LYS HA H 92 4.150 4.401 -0.251 1
1 825 . 2 1 1 A 62 62 LYS C C 92 177.522 176.040 1.482 1
1 826 . 2 1 1 A 62 62 LYS CA C 92 56.750 56.166 0.584 1
1 827 . 2 1 1 A 62 62 LYS CB C 92 33.835 33.499 0.336 1
1 831 . 2 1 1 A 62 62 LYS N N 92 118.635 120.892 -2.257 1
1 832 . 2 1 1 A 63 63 MET H H 93 9.188 8.413 0.775 1
1 833 . 2 1 1 A 63 63 MET HA H 93 3.835 4.515 -0.680 1
1 841 . 2 1 1 A 63 63 MET C C 93 173.913 175.611 -1.698 1
1 842 . 2 1 1 A 63 63 MET CA C 93 59.275 53.934 5.341 1
1 843 . 2 1 1 A 63 63 MET CB C 93 31.483 31.028 0.455 1
1 846 . 2 1 1 A 63 63 MET N N 93 123.413 124.671 -1.258 1
1 847 . 2 1 1 A 64 64 TYR H H 94 9.421 8.615 0.806 1
1 848 . 2 1 1 A 64 64 TYR HA H 94 4.767 4.060 0.707 1
1 855 . 2 1 1 A 64 64 TYR C C 94 173.918 175.099 -1.181 1
1 856 . 2 1 1 A 64 64 TYR CA C 94 56.933 61.689 -4.756 1
1 857 . 2 1 1 A 64 64 TYR CB C 94 40.020 38.752 1.268 1
1 860 . 2 1 1 A 64 64 TYR N N 94 129.403 125.745 3.658 1
1 861 . 2 1 1 A 65 65 LYS H H 95 7.289 7.548 -0.259 1
1 862 . 2 1 1 A 65 65 LYS HA H 95 4.688 4.545 0.143 1
1 871 . 2 1 1 A 65 65 LYS C C 95 175.000 174.016 0.984 1
1 872 . 2 1 1 A 65 65 LYS CA C 95 55.841 55.432 0.409 1
1 873 . 2 1 1 A 65 65 LYS CB C 95 40.404 35.550 4.854 1
1 877 . 2 1 1 A 65 65 LYS N N 95 118.804 118.150 0.654 1
1 878 . 2 1 1 A 66 66 THR H H 96 8.727 7.983 0.744 1
1 879 . 2 1 1 A 66 66 THR HA H 96 5.149 5.079 0.070 1
1 885 . 2 1 1 A 66 66 THR C C 96 172.120 172.312 -0.192 1
1 886 . 2 1 1 A 66 66 THR CA C 96 62.226 60.364 1.862 1
1 887 . 2 1 1 A 66 66 THR CB C 96 71.787 71.801 -0.014 1
1 889 . 2 1 1 A 66 66 THR N N 96 116.235 118.343 -2.108 1
1 890 . 2 1 1 A 67 67 TYR H H 97 8.969 8.985 -0.016 1
1 891 . 2 1 1 A 67 67 TYR HA H 97 5.027 5.040 -0.013 1
1 898 . 2 1 1 A 67 67 TYR C C 97 175.077 174.745 0.332 1
1 899 . 2 1 1 A 67 67 TYR CA C 97 57.278 56.572 0.706 1
1 900 . 2 1 1 A 67 67 TYR CB C 97 42.054 42.669 -0.615 1
1 903 . 2 1 1 A 67 67 TYR N N 97 125.256 123.355 1.901 1
1 904 . 2 1 1 A 68 68 PHE H H 98 9.189 8.957 0.232 1
1 905 . 2 1 1 A 68 68 PHE HA H 98 5.177 5.082 0.095 1
1 913 . 2 1 1 A 68 68 PHE C C 98 174.791 175.112 -0.321 1
1 914 . 2 1 1 A 68 68 PHE CA C 98 57.825 56.508 1.317 1
1 915 . 2 1 1 A 68 68 PHE CB C 98 42.377 43.274 -0.897 1
1 919 . 2 1 1 A 68 68 PHE N N 98 118.574 120.472 -1.898 1
1 920 . 2 1 1 A 69 69 PHE H H 99 8.976 9.477 -0.501 1
1 921 . 2 1 1 A 69 69 PHE HA H 99 4.893 5.269 -0.376 1
1 929 . 2 1 1 A 69 69 PHE C C 99 176.386 175.332 1.054 1
1 930 . 2 1 1 A 69 69 PHE CA C 99 56.777 56.166 0.611 1
1 931 . 2 1 1 A 69 69 PHE CB C 99 41.371 42.285 -0.914 1
1 935 . 2 1 1 A 69 69 PHE N N 99 119.573 121.409 -1.836 1
1 936 . 2 1 1 A 70 70 LYS H H 100 9.479 8.647 0.832 1
1 937 . 2 1 1 A 70 70 LYS HA H 100 4.533 4.593 -0.060 1
1 946 . 2 1 1 A 70 70 LYS C C 100 176.156 176.054 0.102 1
1 947 . 2 1 1 A 70 70 LYS CA C 100 56.706 55.704 1.002 1
1 948 . 2 1 1 A 70 70 LYS CB C 100 33.667 33.132 0.535 1
1 952 . 2 1 1 A 70 70 LYS N N 100 125.614 123.050 2.564 1
1 953 . 2 1 1 A 71 71 LYS H H 101 8.068 8.421 -0.353 1
1 954 . 2 1 1 A 71 71 LYS HA H 101 4.188 4.150 0.038 1
1 963 . 2 1 1 A 71 71 LYS C C 101 177.655 176.972 0.683 1
1 964 . 2 1 1 A 71 71 LYS CA C 101 58.238 57.385 0.853 1
1 965 . 2 1 1 A 71 71 LYS CB C 101 32.342 31.992 0.350 1
1 969 . 2 1 1 A 71 71 LYS N N 101 121.057 121.290 -0.233 1
1 970 . 2 1 1 A 72 72 GLY H H 102 8.899 9.027 -0.128 1
1 971 . 2 1 1 A 72 72 GLY HA2 H 102 4.196 3.934 0.262 1
1 972 . 2 1 1 A 72 72 GLY HA3 H 102 3.815 3.945 -0.130 1
1 973 . 2 1 1 A 72 72 GLY C C 102 173.997 174.297 -0.300 1
1 974 . 2 1 1 A 72 72 GLY CA C 102 45.802 45.404 0.398 1
1 975 . 2 1 1 A 72 72 GLY N N 102 114.112 113.102 1.010 1
1 976 . 2 1 1 A 73 73 GLU H H 103 8.047 8.120 -0.073 1
1 977 . 2 1 1 A 73 73 GLU HA H 103 4.764 4.591 0.173 1
1 982 . 2 1 1 A 73 73 GLU C C 103 175.975 175.998 -0.023 1
1 983 . 2 1 1 A 73 73 GLU CA C 103 56.295 55.746 0.549 1
1 984 . 2 1 1 A 73 73 GLU CB C 103 31.153 31.359 -0.206 1
1 986 . 2 1 1 A 73 73 GLU N N 103 119.538 120.767 -1.229 1
1 987 . 2 1 1 A 74 74 SER H H 104 8.742 8.970 -0.228 1
1 988 . 2 1 1 A 74 74 SER HA H 104 4.598 4.818 -0.220 1
1 991 . 2 1 1 A 74 74 SER C C 104 171.916 173.271 -1.355 1
1 992 . 2 1 1 A 74 74 SER CA C 104 58.363 57.895 0.468 1
1 993 . 2 1 1 A 74 74 SER CB C 104 64.025 64.514 -0.489 1
1 994 . 2 1 1 A 74 74 SER N N 104 115.383 116.450 -1.067 1
1 995 . 2 1 1 A 75 75 LYS H H 105 7.608 7.554 0.054 1
1 996 . 2 1 1 A 75 75 LYS HA H 105 5.588 5.196 0.392 1
1 1005 . 2 1 1 A 75 75 LYS C C 105 176.017 174.381 1.636 1
1 1006 . 2 1 1 A 75 75 LYS CA C 105 54.548 55.916 -1.368 1
1 1007 . 2 1 1 A 75 75 LYS CB C 105 35.211 35.933 -0.722 1
1 1011 . 2 1 1 A 75 75 LYS N N 105 121.040 122.356 -1.316 1
1 1012 . 2 1 1 A 76 76 SER H H 106 8.231 8.925 -0.694 1
1 1013 . 2 1 1 A 76 76 SER HA H 106 3.377 4.271 -0.894 1
1 1016 . 2 1 1 A 76 76 SER C C 106 172.571 175.055 -2.484 1
1 1017 . 2 1 1 A 76 76 SER CA C 106 59.650 57.466 2.184 1
1 1018 . 2 1 1 A 76 76 SER CB C 106 64.857 64.281 0.576 1
1 1019 . 2 1 1 A 76 76 SER N N 106 121.783 117.914 3.869 1
1 1020 . 2 1 1 A 77 77 SER H H 107 8.333 8.590 -0.257 1
1 1021 . 2 1 1 A 77 77 SER HA H 107 5.025 4.833 0.192 1
1 1024 . 2 1 1 A 77 77 SER C C 107 174.507 173.992 0.515 1
1 1025 . 2 1 1 A 77 77 SER CA C 107 57.561 57.612 -0.051 1
1 1026 . 2 1 1 A 77 77 SER CB C 107 65.330 64.801 0.529 1
1 1027 . 2 1 1 A 77 77 SER N N 107 106.276 114.326 -8.050 1
1 1028 . 2 1 1 A 78 78 TYR H H 108 7.825 7.221 0.604 1
1 1029 . 2 1 1 A 78 78 TYR HA H 108 4.754 4.780 -0.026 1
1 1036 . 2 1 1 A 78 78 TYR C C 108 171.725 173.648 -1.923 1
1 1037 . 2 1 1 A 78 78 TYR CA C 108 57.778 56.746 1.032 1
1 1038 . 2 1 1 A 78 78 TYR CB C 108 43.223 41.944 1.279 1
1 1041 . 2 1 1 A 78 78 TYR N N 108 126.289 121.207 5.082 1
1 1042 . 2 1 1 A 79 79 VAL H H 109 7.760 8.413 -0.653 1
1 1043 . 2 1 1 A 79 79 VAL HA H 109 5.215 4.898 0.317 1
1 1051 . 2 1 1 A 79 79 VAL C C 109 172.526 174.095 -1.569 1
1 1052 . 2 1 1 A 79 79 VAL CA C 109 59.193 59.568 -0.375 1
1 1053 . 2 1 1 A 79 79 VAL CB C 109 36.173 36.066 0.107 1
1 1056 . 2 1 1 A 79 79 VAL N N 109 127.825 121.096 6.729 1
1 1057 . 2 1 1 A 80 80 ILE H H 110 8.616 8.324 0.292 1
1 1058 . 2 1 1 A 80 80 ILE HA H 110 4.011 4.443 -0.432 1
1 1068 . 2 1 1 A 80 80 ILE C C 110 174.690 174.103 0.587 1
1 1069 . 2 1 1 A 80 80 ILE CA C 110 60.922 59.991 0.931 1
1 1070 . 2 1 1 A 80 80 ILE CB C 110 42.047 41.758 0.289 1
1 1074 . 2 1 1 A 80 80 ILE N N 110 124.001 121.892 2.109 1
1 1075 . 2 1 1 A 81 81 ASN H H 111 8.937 8.348 0.589 1
1 1076 . 2 1 1 A 81 81 ASN HA H 111 4.760 5.374 -0.614 1
1 1081 . 2 1 1 A 81 81 ASN C C 111 175.326 175.378 -0.052 1
1 1082 . 2 1 1 A 81 81 ASN CA C 111 53.600 51.649 1.951 1
1 1083 . 2 1 1 A 81 81 ASN CB C 111 40.412 40.720 -0.308 1
1 1085 . 2 1 1 A 81 81 ASN N N 111 126.229 124.539 1.690 1
1 1087 . 2 1 1 A 82 82 GLY H H 112 7.984 8.440 -0.456 1
1 1088 . 2 1 1 A 82 82 GLY HA2 H 112 4.457 4.154 0.303 1
1 1089 . 2 1 1 A 82 82 GLY HA3 H 112 3.847 4.189 -0.342 1
1 1090 . 2 1 1 A 82 82 GLY C C 112 171.875 171.361 0.514 1
1 1091 . 2 1 1 A 82 82 GLY CA C 112 43.303 44.950 -1.647 1
1 1092 . 2 1 1 A 82 82 GLY N N 112 110.894 109.541 1.353 1
1 1093 . 2 1 1 A 83 83 PRO HA H 113 4.609 4.322 0.287 1
1 1100 . 2 1 1 A 83 83 PRO C C 113 178.327 177.354 0.973 1
1 1101 . 2 1 1 A 83 83 PRO CA C 113 63.342 63.615 -0.273 1
1 1102 . 2 1 1 A 83 83 PRO CB C 113 32.232 31.581 0.651 1
1 1105 . 2 1 1 A 84 84 GLY H H 114 8.939 8.413 0.526 1
1 1106 . 2 1 1 A 84 84 GLY HA2 H 114 4.055 4.011 0.044 1
1 1107 . 2 1 1 A 84 84 GLY HA3 H 114 3.192 4.077 -0.885 1
1 1108 . 2 1 1 A 84 84 GLY C C 114 172.587 175.440 -2.853 1
1 1109 . 2 1 1 A 84 84 GLY CA C 114 44.667 45.512 -0.845 1
1 1110 . 2 1 1 A 84 84 GLY N N 114 109.324 110.918 -1.594 1
1 1111 . 2 1 1 A 85 85 LYS H H 115 9.550 8.242 1.308 1
1 1112 . 2 1 1 A 85 85 LYS HA H 115 4.527 4.226 0.301 1
1 1121 . 2 1 1 A 85 85 LYS C C 115 175.690 175.050 0.640 1
1 1122 . 2 1 1 A 85 85 LYS CA C 115 56.251 58.074 -1.823 1
1 1123 . 2 1 1 A 85 85 LYS CB C 115 34.217 32.388 1.829 1
1 1127 . 2 1 1 A 85 85 LYS N N 115 119.240 119.568 -0.328 1
1 1128 . 2 1 1 A 86 86 THR H H 116 7.327 7.865 -0.538 1
1 1129 . 2 1 1 A 86 86 THR HA H 116 3.572 4.380 -0.808 1
1 1134 . 2 1 1 A 86 86 THR C C 116 170.519 172.802 -2.283 1
1 1135 . 2 1 1 A 86 86 THR CA C 116 59.094 60.524 -1.430 1
1 1136 . 2 1 1 A 86 86 THR CB C 116 68.191 69.560 -1.369 1
1 1138 . 2 1 1 A 86 86 THR N N 116 113.403 111.911 1.492 1
1 1139 . 2 1 1 A 87 87 ASN H H 117 8.035 8.511 -0.476 1
1 1140 . 2 1 1 A 87 87 ASN HA H 117 4.914 4.648 0.266 1
1 1145 . 2 1 1 A 87 87 ASN C C 117 175.798 176.133 -0.335 1
1 1146 . 2 1 1 A 87 87 ASN CA C 117 52.062 55.791 -3.729 1
1 1147 . 2 1 1 A 87 87 ASN CB C 117 40.563 38.779 1.784 1
1 1149 . 2 1 1 A 87 87 ASN N N 117 118.907 122.705 -3.798 1
1 1151 . 2 1 1 A 88 88 GLU H H 118 8.362 7.531 0.831 1
1 1152 . 2 1 1 A 88 88 GLU HA H 118 4.116 4.294 -0.178 1
1 1157 . 2 1 1 A 88 88 GLU C C 118 175.935 175.452 0.483 1
1 1158 . 2 1 1 A 88 88 GLU CA C 118 55.589 55.542 0.047 1
1 1159 . 2 1 1 A 88 88 GLU CB C 118 29.435 28.366 1.069 1
1 1161 . 2 1 1 A 88 88 GLU N N 118 119.547 116.543 3.004 1
1 1162 . 2 1 1 A 89 89 TYR H H 119 7.918 8.123 -0.205 1
1 1163 . 2 1 1 A 89 89 TYR HA H 119 4.639 4.560 0.079 1
1 1170 . 2 1 1 A 89 89 TYR C C 119 175.750 174.496 1.254 1
1 1171 . 2 1 1 A 89 89 TYR CA C 119 59.270 58.196 1.074 1
1 1172 . 2 1 1 A 89 89 TYR CB C 119 38.274 37.175 1.099 1
1 1175 . 2 1 1 A 89 89 TYR N N 119 118.293 118.299 -0.006 1
1 1176 . 2 1 1 A 90 90 ALA H H 120 8.285 9.044 -0.759 1
1 1177 . 2 1 1 A 90 90 ALA HA H 120 4.273 4.768 -0.495 1
1 1181 . 2 1 1 A 90 90 ALA C C 120 175.773 176.244 -0.471 1
1 1182 . 2 1 1 A 90 90 ALA CA C 120 52.014 51.589 0.425 1
1 1183 . 2 1 1 A 90 90 ALA CB C 120 19.920 20.373 -0.453 1
1 1184 . 2 1 1 A 90 90 ALA N N 120 126.212 121.314 4.898 1
1 11 . 3 1 1 A 2 2 SER HA H 32 4.469 4.655 -0.186 1
1 14 . 3 1 1 A 2 2 SER C C 32 174.865 174.453 0.412 1
1 15 . 3 1 1 A 2 2 SER CA C 32 58.680 59.607 -0.927 1
1 16 . 3 1 1 A 2 2 SER CB C 32 63.805 65.308 -1.503 1
1 17 . 3 1 1 A 3 3 GLY H H 33 8.513 7.910 0.603 1
1 18 . 3 1 1 A 3 3 GLY HA2 H 33 3.972 3.985 -0.013 1
1 19 . 3 1 1 A 3 3 GLY HA3 H 33 3.972 3.995 -0.023 1
1 20 . 3 1 1 A 3 3 GLY C C 33 173.735 172.816 0.919 1
1 21 . 3 1 1 A 3 3 GLY CA C 33 45.132 44.742 0.390 1
1 22 . 3 1 1 A 3 3 GLY N N 33 110.526 108.126 2.400 1
1 23 . 3 1 1 A 4 4 LEU H H 34 8.145 8.327 -0.182 1
1 24 . 3 1 1 A 4 4 LEU HA H 34 4.599 4.891 -0.292 1
1 34 . 3 1 1 A 4 4 LEU C C 34 175.201 174.358 0.843 1
1 35 . 3 1 1 A 4 4 LEU CA C 34 53.002 51.497 1.505 1
1 36 . 3 1 1 A 4 4 LEU CB C 34 41.772 45.550 -3.778 1
1 40 . 3 1 1 A 4 4 LEU N N 34 122.423 119.804 2.619 1
1 41 . 3 1 1 A 5 5 PRO HA H 35 4.551 4.774 -0.223 1
1 48 . 3 1 1 A 5 5 PRO C C 35 176.487 176.322 0.165 1
1 49 . 3 1 1 A 5 5 PRO CA C 35 62.771 62.672 0.099 1
1 50 . 3 1 1 A 5 5 PRO CB C 35 32.488 33.170 -0.682 1
1 53 . 3 1 1 A 6 6 THR H H 36 8.447 8.469 -0.022 1
1 54 . 3 1 1 A 6 6 THR HA H 36 4.445 4.528 -0.083 1
1 59 . 3 1 1 A 6 6 THR C C 36 174.231 173.859 0.372 1
1 60 . 3 1 1 A 6 6 THR CA C 36 61.727 61.361 0.366 1
1 61 . 3 1 1 A 6 6 THR CB C 36 69.213 71.355 -2.142 1
1 63 . 3 1 1 A 6 6 THR N N 36 111.916 115.263 -3.347 1
1 64 . 3 1 1 A 7 7 THR H H 37 7.303 7.368 -0.065 1
1 65 . 3 1 1 A 7 7 THR HA H 37 5.232 4.951 0.281 1
1 70 . 3 1 1 A 7 7 THR C C 37 175.848 174.576 1.272 1
1 71 . 3 1 1 A 7 7 THR CA C 37 58.599 60.146 -1.547 1
1 72 . 3 1 1 A 7 7 THR CB C 37 71.971 71.960 0.011 1
1 74 . 3 1 1 A 7 7 THR N N 37 110.288 111.709 -1.421 1
1 75 . 3 1 1 A 8 8 LEU H H 38 9.065 8.688 0.377 1
1 76 . 3 1 1 A 8 8 LEU HA H 38 3.829 3.921 -0.092 1
1 86 . 3 1 1 A 8 8 LEU C C 38 177.964 178.747 -0.783 1
1 87 . 3 1 1 A 8 8 LEU CA C 38 57.613 57.820 -0.207 1
1 88 . 3 1 1 A 8 8 LEU CB C 38 41.058 41.407 -0.349 1
1 92 . 3 1 1 A 8 8 LEU N N 38 122.441 125.152 -2.711 1
1 93 . 3 1 1 A 9 9 GLY H H 39 8.753 8.085 0.668 1
1 94 . 3 1 1 A 9 9 GLY HA2 H 39 3.969 3.787 0.182 1
1 95 . 3 1 1 A 9 9 GLY HA3 H 39 3.769 3.787 -0.018 1
1 96 . 3 1 1 A 9 9 GLY C C 39 176.615 175.950 0.665 1
1 97 . 3 1 1 A 9 9 GLY CA C 39 47.314 47.147 0.167 1
1 98 . 3 1 1 A 9 9 GLY N N 39 104.356 107.305 -2.949 1
1 99 . 3 1 1 A 10 10 LYS H H 40 7.341 7.604 -0.263 1
1 100 . 3 1 1 A 10 10 LYS HA H 40 4.241 3.996 0.245 1
1 109 . 3 1 1 A 10 10 LYS C C 40 179.292 179.287 0.005 1
1 110 . 3 1 1 A 10 10 LYS CA C 40 58.108 59.362 -1.254 1
1 111 . 3 1 1 A 10 10 LYS CB C 40 32.346 32.224 0.122 1
1 115 . 3 1 1 A 10 10 LYS N N 40 120.741 122.249 -1.508 1
1 116 . 3 1 1 A 11 11 LEU H H 41 8.033 7.587 0.446 1
1 117 . 3 1 1 A 11 11 LEU HA H 41 4.059 4.056 0.003 1
1 127 . 3 1 1 A 11 11 LEU C C 41 177.253 177.860 -0.607 1
1 128 . 3 1 1 A 11 11 LEU CA C 41 57.978 57.756 0.222 1
1 129 . 3 1 1 A 11 11 LEU CB C 41 41.760 41.600 0.160 1
1 133 . 3 1 1 A 11 11 LEU N N 41 121.501 121.413 0.088 1
1 134 . 3 1 1 A 12 12 ASP H H 42 9.025 8.501 0.524 1
1 135 . 3 1 1 A 12 12 ASP HA H 42 4.045 4.268 -0.223 1
1 138 . 3 1 1 A 12 12 ASP C C 42 176.536 178.947 -2.411 1
1 139 . 3 1 1 A 12 12 ASP CA C 42 58.740 58.045 0.695 1
1 140 . 3 1 1 A 12 12 ASP CB C 42 44.783 42.335 2.448 1
1 141 . 3 1 1 A 12 12 ASP N N 42 119.776 119.174 0.602 1
1 142 . 3 1 1 A 13 13 GLU H H 43 7.253 8.081 -0.828 1
1 143 . 3 1 1 A 13 13 GLU HA H 43 3.869 4.075 -0.206 1
1 148 . 3 1 1 A 13 13 GLU C C 43 178.916 178.444 0.472 1
1 149 . 3 1 1 A 13 13 GLU CA C 43 59.511 58.831 0.680 1
1 150 . 3 1 1 A 13 13 GLU CB C 43 30.131 29.374 0.757 1
1 152 . 3 1 1 A 13 13 GLU N N 43 116.304 119.157 -2.853 1
1 153 . 3 1 1 A 14 14 ARG H H 44 7.234 7.664 -0.430 1
1 154 . 3 1 1 A 14 14 ARG HA H 44 3.920 4.221 -0.301 1
1 163 . 3 1 1 A 14 14 ARG C C 44 177.609 178.447 -0.838 1
1 164 . 3 1 1 A 14 14 ARG CA C 44 58.607 58.731 -0.124 1
1 165 . 3 1 1 A 14 14 ARG CB C 44 30.304 30.872 -0.568 1
1 168 . 3 1 1 A 14 14 ARG N N 44 118.267 119.622 -1.355 1
1 171 . 3 1 1 A 15 15 LEU H H 45 8.734 8.901 -0.167 1
1 172 . 3 1 1 A 15 15 LEU HA H 45 3.809 4.315 -0.506 1
1 182 . 3 1 1 A 15 15 LEU C C 45 179.204 179.494 -0.290 1
1 183 . 3 1 1 A 15 15 LEU CA C 45 58.248 58.149 0.099 1
1 184 . 3 1 1 A 15 15 LEU CB C 45 42.076 41.235 0.841 1
1 188 . 3 1 1 A 15 15 LEU N N 45 117.856 119.617 -1.761 1
1 189 . 3 1 1 A 16 16 ARG H H 46 8.280 8.540 -0.260 1
1 190 . 3 1 1 A 16 16 ARG HA H 46 3.863 4.150 -0.287 1
1 200 . 3 1 1 A 16 16 ARG C C 46 179.432 178.972 0.460 1
1 201 . 3 1 1 A 16 16 ARG CA C 46 60.779 59.495 1.284 1
1 202 . 3 1 1 A 16 16 ARG CB C 46 29.824 29.781 0.043 1
1 205 . 3 1 1 A 16 16 ARG N N 46 115.954 119.523 -3.569 1
1 209 . 3 1 1 A 17 17 ASN H H 47 7.433 8.045 -0.612 1
1 210 . 3 1 1 A 17 17 ASN HA H 47 4.458 4.471 -0.013 1
1 215 . 3 1 1 A 17 17 ASN C C 47 177.657 177.945 -0.288 1
1 216 . 3 1 1 A 17 17 ASN CA C 47 56.297 56.201 0.096 1
1 217 . 3 1 1 A 17 17 ASN CB C 47 38.540 37.918 0.622 1
1 219 . 3 1 1 A 17 17 ASN N N 47 118.514 117.847 0.667 1
1 221 . 3 1 1 A 18 18 TYR H H 48 8.945 8.399 0.546 1
1 222 . 3 1 1 A 18 18 TYR HA H 48 4.184 4.310 -0.126 1
1 229 . 3 1 1 A 18 18 TYR C C 48 177.806 178.574 -0.768 1
1 230 . 3 1 1 A 18 18 TYR CA C 48 58.651 61.567 -2.916 1
1 231 . 3 1 1 A 18 18 TYR CB C 48 36.527 37.623 -1.096 1
1 234 . 3 1 1 A 18 18 TYR N N 48 121.714 119.243 2.471 1
1 235 . 3 1 1 A 19 19 LEU H H 49 8.293 8.147 0.146 1
1 236 . 3 1 1 A 19 19 LEU HA H 49 3.410 3.673 -0.263 1
1 246 . 3 1 1 A 19 19 LEU C C 49 179.153 178.737 0.416 1
1 247 . 3 1 1 A 19 19 LEU CA C 49 57.822 57.913 -0.091 1
1 248 . 3 1 1 A 19 19 LEU CB C 49 41.929 41.445 0.484 1
1 252 . 3 1 1 A 19 19 LEU N N 49 119.284 121.175 -1.891 1
1 253 . 3 1 1 A 20 20 LYS H H 50 7.322 7.755 -0.433 1
1 254 . 3 1 1 A 20 20 LYS HA H 50 3.893 3.933 -0.040 1
1 263 . 3 1 1 A 20 20 LYS C C 50 177.980 179.653 -1.673 1
1 264 . 3 1 1 A 20 20 LYS CA C 50 59.104 59.894 -0.790 1
1 265 . 3 1 1 A 20 20 LYS CB C 50 32.348 32.060 0.288 1
1 269 . 3 1 1 A 20 20 LYS N N 50 117.005 116.776 0.229 1
1 270 . 3 1 1 A 21 21 LYS H H 51 7.435 8.002 -0.567 1
1 271 . 3 1 1 A 21 21 LYS HA H 51 4.080 4.095 -0.015 1
1 280 . 3 1 1 A 21 21 LYS C C 51 178.971 178.010 0.961 1
1 281 . 3 1 1 A 21 21 LYS CA C 51 57.418 58.690 -1.272 1
1 282 . 3 1 1 A 21 21 LYS CB C 51 32.675 32.415 0.260 1
1 286 . 3 1 1 A 21 21 LYS N N 51 115.946 119.809 -3.863 1
1 287 . 3 1 1 A 22 22 GLY H H 52 8.290 7.880 0.410 1
1 288 . 3 1 1 A 22 22 GLY HA2 H 52 3.897 4.062 -0.165 1
1 289 . 3 1 1 A 22 22 GLY HA3 H 52 4.181 4.131 0.050 1
1 290 . 3 1 1 A 22 22 GLY C C 52 173.610 173.743 -0.133 1
1 291 . 3 1 1 A 22 22 GLY CA C 52 45.088 45.369 -0.281 1
1 292 . 3 1 1 A 22 22 GLY N N 52 105.432 106.772 -1.340 1
1 293 . 3 1 1 A 23 23 THR H H 53 7.148 7.761 -0.613 1
1 294 . 3 1 1 A 23 23 THR HA H 53 4.838 4.525 0.313 1
1 300 . 3 1 1 A 23 23 THR C C 53 174.444 174.725 -0.281 1
1 301 . 3 1 1 A 23 23 THR CA C 53 59.766 59.116 0.650 1
1 302 . 3 1 1 A 23 23 THR CB C 53 72.471 71.180 1.291 1
1 304 . 3 1 1 A 23 23 THR N N 53 107.608 111.872 -4.264 1
1 305 . 3 1 1 A 24 24 LYS H H 54 8.414 8.465 -0.051 1
1 306 . 3 1 1 A 24 24 LYS HA H 54 4.355 4.120 0.235 1
1 315 . 3 1 1 A 24 24 LYS C C 54 177.632 177.148 0.484 1
1 316 . 3 1 1 A 24 24 LYS CA C 54 57.393 58.325 -0.932 1
1 317 . 3 1 1 A 24 24 LYS CB C 54 32.806 32.889 -0.083 1
1 321 . 3 1 1 A 24 24 LYS N N 54 118.924 120.476 -1.552 1
1 322 . 3 1 1 A 25 25 ASN H H 55 7.823 7.847 -0.024 1
1 323 . 3 1 1 A 25 25 ASN HA H 55 4.992 4.841 0.151 1
1 328 . 3 1 1 A 25 25 ASN C C 55 174.882 175.021 -0.139 1
1 329 . 3 1 1 A 25 25 ASN CA C 55 51.540 52.965 -1.425 1
1 330 . 3 1 1 A 25 25 ASN CB C 55 38.209 39.179 -0.970 1
1 332 . 3 1 1 A 25 25 ASN N N 55 116.576 116.059 0.517 1
1 334 . 3 1 1 A 26 26 SER H H 56 8.557 8.975 -0.418 1
1 335 . 3 1 1 A 26 26 SER HA H 56 4.145 4.256 -0.111 1
1 338 . 3 1 1 A 26 26 SER C C 56 176.886 176.212 0.674 1
1 339 . 3 1 1 A 26 26 SER CA C 56 61.051 61.322 -0.271 1
1 340 . 3 1 1 A 26 26 SER CB C 56 62.398 62.713 -0.315 1
1 341 . 3 1 1 A 26 26 SER N N 56 118.968 121.280 -2.312 1
1 342 . 3 1 1 A 27 27 ALA H H 57 8.133 7.943 0.190 1
1 343 . 3 1 1 A 27 27 ALA HA H 57 4.277 4.250 0.027 1
1 347 . 3 1 1 A 27 27 ALA C C 57 177.779 177.800 -0.021 1
1 348 . 3 1 1 A 27 27 ALA CA C 57 54.020 53.689 0.331 1
1 349 . 3 1 1 A 27 27 ALA CB C 57 18.258 18.302 -0.044 1
1 350 . 3 1 1 A 27 27 ALA N N 57 125.334 122.873 2.461 1
1 351 . 3 1 1 A 28 28 GLN H H 58 7.113 8.196 -1.083 1
1 352 . 3 1 1 A 28 28 GLN HA H 58 4.262 4.292 -0.030 1
1 359 . 3 1 1 A 28 28 GLN C C 58 174.984 175.601 -0.617 1
1 360 . 3 1 1 A 28 28 GLN CA C 58 56.272 55.780 0.492 1
1 361 . 3 1 1 A 28 28 GLN CB C 58 28.627 27.985 0.642 1
1 364 . 3 1 1 A 28 28 GLN N N 58 112.472 114.337 -1.865 1
1 366 . 3 1 1 A 29 29 PHE H H 59 7.361 7.775 -0.414 1
1 367 . 3 1 1 A 29 29 PHE HA H 59 4.622 4.731 -0.109 1
1 375 . 3 1 1 A 29 29 PHE C C 59 173.987 175.424 -1.437 1
1 376 . 3 1 1 A 29 29 PHE CA C 59 59.534 58.365 1.169 1
1 377 . 3 1 1 A 29 29 PHE CB C 59 38.939 40.848 -1.909 1
1 381 . 3 1 1 A 29 29 PHE N N 59 118.258 119.904 -1.646 1
1 382 . 3 1 1 A 30 30 GLU H H 60 9.228 9.518 -0.290 1
1 383 . 3 1 1 A 30 30 GLU HA H 60 4.479 4.778 -0.299 1
1 388 . 3 1 1 A 30 30 GLU C C 60 176.282 175.933 0.349 1
1 389 . 3 1 1 A 30 30 GLU CA C 60 57.063 57.837 -0.774 1
1 390 . 3 1 1 A 30 30 GLU CB C 60 33.512 33.142 0.370 1
1 392 . 3 1 1 A 30 30 GLU N N 60 125.247 123.852 1.395 1
1 393 . 3 1 1 A 31 31 LYS H H 61 7.998 7.786 0.212 1
1 394 . 3 1 1 A 31 31 LYS HA H 61 5.074 4.857 0.217 1
1 403 . 3 1 1 A 31 31 LYS C C 61 172.325 174.482 -2.157 1
1 404 . 3 1 1 A 31 31 LYS CA C 61 54.881 55.010 -0.129 1
1 405 . 3 1 1 A 31 31 LYS CB C 61 35.683 35.786 -0.103 1
1 409 . 3 1 1 A 31 31 LYS N N 61 113.709 115.884 -2.175 1
1 410 . 3 1 1 A 32 32 MET H H 62 9.051 9.124 -0.073 1
1 411 . 3 1 1 A 32 32 MET HA H 62 5.630 5.580 0.050 1
1 419 . 3 1 1 A 32 32 MET C C 62 172.898 174.192 -1.294 1
1 420 . 3 1 1 A 32 32 MET CA C 62 53.043 53.309 -0.266 1
1 421 . 3 1 1 A 32 32 MET CB C 62 35.214 35.783 -0.569 1
1 424 . 3 1 1 A 32 32 MET N N 62 118.635 116.763 1.872 1
1 425 . 3 1 1 A 33 33 VAL H H 63 9.186 8.942 0.244 1
1 426 . 3 1 1 A 33 33 VAL HA H 63 4.700 4.947 -0.247 1
1 434 . 3 1 1 A 33 33 VAL C C 63 174.133 174.761 -0.628 1
1 435 . 3 1 1 A 33 33 VAL CA C 63 61.351 60.613 0.738 1
1 436 . 3 1 1 A 33 33 VAL CB C 63 34.651 35.755 -1.104 1
1 439 . 3 1 1 A 33 33 VAL N N 63 122.441 119.033 3.408 1
1 440 . 3 1 1 A 34 34 ILE H H 64 9.244 8.970 0.274 1
1 441 . 3 1 1 A 34 34 ILE HA H 64 4.302 4.736 -0.434 1
1 451 . 3 1 1 A 34 34 ILE C C 64 174.924 174.742 0.182 1
1 452 . 3 1 1 A 34 34 ILE CA C 64 60.422 59.704 0.718 1
1 453 . 3 1 1 A 34 34 ILE CB C 64 41.255 42.022 -0.767 1
1 457 . 3 1 1 A 34 34 ILE N N 64 127.876 126.875 1.001 1
1 458 . 3 1 1 A 35 35 LEU H H 65 9.117 9.218 -0.101 1
1 459 . 3 1 1 A 35 35 LEU HA H 65 5.531 5.365 0.166 1
1 469 . 3 1 1 A 35 35 LEU C C 65 178.538 176.912 1.626 1
1 470 . 3 1 1 A 35 35 LEU CA C 65 53.047 53.503 -0.456 1
1 471 . 3 1 1 A 35 35 LEU CB C 65 43.797 43.563 0.234 1
1 475 . 3 1 1 A 35 35 LEU N N 65 125.572 126.619 -1.047 1
1 476 . 3 1 1 A 36 36 THR H H 66 8.634 8.770 -0.136 1
1 477 . 3 1 1 A 36 36 THR HA H 66 5.212 5.055 0.157 1
1 482 . 3 1 1 A 36 36 THR C C 66 174.918 174.931 -0.013 1
1 483 . 3 1 1 A 36 36 THR CA C 66 59.374 60.471 -1.097 1
1 484 . 3 1 1 A 36 36 THR CB C 66 72.100 71.384 0.716 1
1 486 . 3 1 1 A 36 36 THR N N 66 112.840 116.523 -3.683 1
1 487 . 3 1 1 A 37 37 GLU H H 67 8.580 8.728 -0.148 1
1 488 . 3 1 1 A 37 37 GLU HA H 67 4.469 4.320 0.149 1
1 493 . 3 1 1 A 37 37 GLU C C 67 177.333 176.820 0.513 1
1 494 . 3 1 1 A 37 37 GLU CA C 67 57.348 56.070 1.278 1
1 495 . 3 1 1 A 37 37 GLU CB C 67 31.357 30.651 0.706 1
1 497 . 3 1 1 A 37 37 GLU N N 67 118.675 121.536 -2.861 1
1 498 . 3 1 1 A 38 38 ASN H H 68 8.580 9.240 -0.660 1
1 499 . 3 1 1 A 38 38 ASN HA H 68 3.768 4.509 -0.741 1
1 504 . 3 1 1 A 38 38 ASN C C 68 172.921 174.615 -1.694 1
1 505 . 3 1 1 A 38 38 ASN CA C 68 54.686 54.654 0.032 1
1 506 . 3 1 1 A 38 38 ASN CB C 68 36.511 36.951 -0.440 1
1 508 . 3 1 1 A 38 38 ASN N N 68 114.341 117.331 -2.990 1
1 510 . 3 1 1 A 39 39 LYS H H 69 7.891 8.799 -0.908 1
1 511 . 3 1 1 A 39 39 LYS HA H 69 3.936 3.849 0.087 1
1 520 . 3 1 1 A 39 39 LYS C C 69 177.032 176.225 0.807 1
1 521 . 3 1 1 A 39 39 LYS CA C 69 56.758 57.477 -0.719 1
1 522 . 3 1 1 A 39 39 LYS CB C 69 28.099 29.401 -1.302 1
1 526 . 3 1 1 A 39 39 LYS N N 69 107.932 109.596 -1.664 1
1 527 . 3 1 1 A 40 40 GLY H H 70 6.998 7.685 -0.687 1
1 528 . 3 1 1 A 40 40 GLY HA2 H 70 4.362 3.895 0.467 1
1 529 . 3 1 1 A 40 40 GLY HA3 H 70 3.875 4.084 -0.209 1
1 530 . 3 1 1 A 40 40 GLY C C 70 173.763 172.019 1.744 1
1 531 . 3 1 1 A 40 40 GLY CA C 70 46.628 45.747 0.881 1
1 532 . 3 1 1 A 40 40 GLY N N 70 107.011 107.523 -0.512 1
1 533 . 3 1 1 A 41 41 TYR H H 71 7.679 8.494 -0.815 1
1 534 . 3 1 1 A 41 41 TYR HA H 71 5.097 5.479 -0.382 1
1 541 . 3 1 1 A 41 41 TYR C C 71 174.452 172.964 1.488 1
1 542 . 3 1 1 A 41 41 TYR CA C 71 57.730 56.370 1.360 1
1 543 . 3 1 1 A 41 41 TYR CB C 71 40.474 41.937 -1.463 1
1 546 . 3 1 1 A 41 41 TYR N N 71 129.822 123.576 6.246 1
1 547 . 3 1 1 A 42 42 TYR H H 72 9.101 8.470 0.631 1
1 548 . 3 1 1 A 42 42 TYR HA H 72 4.875 4.931 -0.056 1
1 555 . 3 1 1 A 42 42 TYR C C 72 174.448 174.367 0.081 1
1 556 . 3 1 1 A 42 42 TYR CA C 72 56.114 56.528 -0.414 1
1 557 . 3 1 1 A 42 42 TYR CB C 72 41.115 42.876 -1.761 1
1 560 . 3 1 1 A 42 42 TYR N N 72 126.527 125.655 0.872 1
1 561 . 3 1 1 A 43 43 THR H H 73 9.022 8.717 0.305 1
1 562 . 3 1 1 A 43 43 THR HA H 73 4.876 5.180 -0.304 1
1 567 . 3 1 1 A 43 43 THR C C 73 174.791 172.024 2.767 1
1 568 . 3 1 1 A 43 43 THR CA C 73 62.821 59.723 3.098 1
1 569 . 3 1 1 A 43 43 THR CB C 73 68.769 71.551 -2.782 1
1 571 . 3 1 1 A 43 43 THR N N 73 120.810 115.523 5.287 1
1 572 . 3 1 1 A 44 44 VAL H H 74 9.233 8.608 0.625 1
1 573 . 3 1 1 A 44 44 VAL HA H 74 4.427 4.576 -0.149 1
1 581 . 3 1 1 A 44 44 VAL C C 74 175.094 174.202 0.892 1
1 582 . 3 1 1 A 44 44 VAL CA C 74 61.457 60.986 0.471 1
1 583 . 3 1 1 A 44 44 VAL CB C 74 35.669 35.380 0.289 1
1 586 . 3 1 1 A 44 44 VAL N N 74 129.156 126.082 3.074 1
1 587 . 3 1 1 A 45 45 TYR H H 75 9.384 8.976 0.408 1
1 588 . 3 1 1 A 45 45 TYR HA H 75 4.528 4.730 -0.202 1
1 595 . 3 1 1 A 45 45 TYR C C 75 176.497 175.818 0.679 1
1 596 . 3 1 1 A 45 45 TYR CA C 75 59.843 57.406 2.437 1
1 597 . 3 1 1 A 45 45 TYR CB C 75 38.245 37.446 0.799 1
1 600 . 3 1 1 A 45 45 TYR N N 75 128.465 127.261 1.204 1
1 601 . 3 1 1 A 46 46 LEU H H 76 8.524 8.527 -0.003 1
1 602 . 3 1 1 A 46 46 LEU HA H 76 4.528 4.219 0.309 1
1 612 . 3 1 1 A 46 46 LEU C C 76 177.001 178.580 -1.579 1
1 613 . 3 1 1 A 46 46 LEU CA C 76 55.010 57.305 -2.295 1
1 614 . 3 1 1 A 46 46 LEU CB C 76 42.094 41.719 0.375 1
1 618 . 3 1 1 A 46 46 LEU N N 76 119.547 127.528 -7.981 1
1 619 . 3 1 1 A 47 47 ASN H H 77 8.599 8.109 0.490 1
1 620 . 3 1 1 A 47 47 ASN HA H 77 4.618 4.682 -0.064 1
1 625 . 3 1 1 A 47 47 ASN C C 77 173.844 175.297 -1.453 1
1 626 . 3 1 1 A 47 47 ASN CA C 77 54.045 55.220 -1.175 1
1 627 . 3 1 1 A 47 47 ASN CB C 77 37.058 38.619 -1.561 1
1 629 . 3 1 1 A 47 47 ASN N N 77 116.407 116.350 0.057 1
1 631 . 3 1 1 A 48 48 THR H H 78 7.429 7.717 -0.288 1
1 632 . 3 1 1 A 48 48 THR HA H 78 4.803 5.048 -0.245 1
1 637 . 3 1 1 A 48 48 THR C C 78 175.201 171.729 3.472 1
1 638 . 3 1 1 A 48 48 THR CA C 78 58.577 58.793 -0.216 1
1 639 . 3 1 1 A 48 48 THR CB C 78 70.494 70.669 -0.175 1
1 641 . 3 1 1 A 48 48 THR N N 78 111.551 109.606 1.945 1
1 642 . 3 1 1 A 49 49 PRO HA H 79 4.462 4.767 -0.305 1
1 649 . 3 1 1 A 49 49 PRO C C 79 176.670 177.215 -0.545 1
1 650 . 3 1 1 A 49 49 PRO CA C 79 62.384 62.750 -0.366 1
1 651 . 3 1 1 A 49 49 PRO CB C 79 32.205 32.000 0.205 1
1 654 . 3 1 1 A 50 50 LEU H H 80 9.049 8.280 0.769 1
1 655 . 3 1 1 A 50 50 LEU HA H 80 4.081 4.291 -0.210 1
1 665 . 3 1 1 A 50 50 LEU C C 80 176.758 176.503 0.255 1
1 666 . 3 1 1 A 50 50 LEU CA C 80 55.315 54.249 1.066 1
1 667 . 3 1 1 A 50 50 LEU CB C 80 41.915 42.658 -0.743 1
1 671 . 3 1 1 A 50 50 LEU N N 80 126.341 119.075 7.266 1
1 672 . 3 1 1 A 51 51 ALA H H 81 8.415 8.783 -0.368 1
1 673 . 3 1 1 A 51 51 ALA HA H 81 4.187 4.379 -0.192 1
1 677 . 3 1 1 A 51 51 ALA C C 81 179.005 178.238 0.767 1
1 678 . 3 1 1 A 51 51 ALA CA C 81 52.851 52.249 0.602 1
1 679 . 3 1 1 A 51 51 ALA CB C 81 19.625 19.583 0.042 1
1 680 . 3 1 1 A 51 51 ALA N N 81 129.745 124.137 5.608 1
1 681 . 3 1 1 A 52 52 GLU H H 82 8.739 9.064 -0.325 1
1 682 . 3 1 1 A 52 52 GLU HA H 82 3.815 3.987 -0.172 1
1 687 . 3 1 1 A 52 52 GLU C C 82 178.591 178.335 0.256 1
1 688 . 3 1 1 A 52 52 GLU CA C 82 59.566 59.596 -0.030 1
1 689 . 3 1 1 A 52 52 GLU CB C 82 29.774 29.297 0.477 1
1 691 . 3 1 1 A 52 52 GLU N N 82 121.424 120.268 1.156 1
1 692 . 3 1 1 A 53 53 ASP H H 83 8.511 8.218 0.293 1
1 693 . 3 1 1 A 53 53 ASP HA H 83 4.427 4.437 -0.010 1
1 696 . 3 1 1 A 53 53 ASP C C 83 177.306 179.108 -1.802 1
1 697 . 3 1 1 A 53 53 ASP CA C 83 55.398 56.672 -1.274 1
1 698 . 3 1 1 A 53 53 ASP CB C 83 39.430 40.065 -0.635 1
1 699 . 3 1 1 A 53 53 ASP N N 83 114.043 119.974 -5.931 1
1 700 . 3 1 1 A 54 54 ARG H H 84 7.800 7.683 0.117 1
1 701 . 3 1 1 A 54 54 ARG HA H 84 4.527 4.174 0.353 1
1 710 . 3 1 1 A 54 54 ARG C C 84 176.966 179.247 -2.281 1
1 711 . 3 1 1 A 54 54 ARG CA C 84 55.915 58.919 -3.004 1
1 712 . 3 1 1 A 54 54 ARG CB C 84 31.804 29.619 2.185 1
1 715 . 3 1 1 A 54 54 ARG N N 84 118.147 121.011 -2.864 1
1 718 . 3 1 1 A 55 55 LYS H H 85 7.335 7.903 -0.568 1
1 719 . 3 1 1 A 55 55 LYS HA H 85 3.551 4.120 -0.569 1
1 728 . 3 1 1 A 55 55 LYS C C 85 178.113 177.484 0.629 1
1 729 . 3 1 1 A 55 55 LYS CA C 85 59.887 58.577 1.310 1
1 730 . 3 1 1 A 55 55 LYS CB C 85 32.935 32.189 0.746 1
1 734 . 3 1 1 A 55 55 LYS N N 85 116.576 119.407 -2.831 1
1 735 . 3 1 1 A 56 56 ASN H H 86 8.347 7.300 1.047 1
1 736 . 3 1 1 A 56 56 ASN HA H 86 4.886 4.942 -0.056 1
1 741 . 3 1 1 A 56 56 ASN C C 86 174.736 174.644 0.092 1
1 742 . 3 1 1 A 56 56 ASN CA C 86 52.265 52.904 -0.639 1
1 743 . 3 1 1 A 56 56 ASN CB C 86 38.239 39.765 -1.526 1
1 745 . 3 1 1 A 56 56 ASN N N 86 114.341 115.483 -1.142 1
1 747 . 3 1 1 A 57 57 VAL H H 87 6.985 7.428 -0.443 1
1 748 . 3 1 1 A 57 57 VAL HA H 87 3.746 4.233 -0.487 1
1 756 . 3 1 1 A 57 57 VAL C C 87 175.380 175.873 -0.493 1
1 757 . 3 1 1 A 57 57 VAL CA C 87 63.723 61.793 1.930 1
1 758 . 3 1 1 A 57 57 VAL CB C 87 32.650 33.133 -0.483 1
1 761 . 3 1 1 A 57 57 VAL N N 87 121.424 121.038 0.386 1
1 762 . 3 1 1 A 58 58 GLU H H 88 8.777 8.512 0.265 1
1 763 . 3 1 1 A 58 58 GLU HA H 88 4.339 4.702 -0.363 1
1 768 . 3 1 1 A 58 58 GLU C C 88 176.364 176.282 0.082 1
1 769 . 3 1 1 A 58 58 GLU CA C 88 56.085 56.762 -0.677 1
1 770 . 3 1 1 A 58 58 GLU CB C 88 29.861 30.305 -0.444 1
1 772 . 3 1 1 A 58 58 GLU N N 88 129.489 126.693 2.796 1
1 773 . 3 1 1 A 59 59 LEU H H 89 8.230 9.029 -0.799 1
1 774 . 3 1 1 A 59 59 LEU HA H 89 4.299 4.620 -0.321 1
1 784 . 3 1 1 A 59 59 LEU C C 89 178.976 176.556 2.420 1
1 785 . 3 1 1 A 59 59 LEU CA C 89 54.651 54.399 0.252 1
1 786 . 3 1 1 A 59 59 LEU CB C 89 42.596 41.579 1.017 1
1 790 . 3 1 1 A 59 59 LEU N N 89 124.395 125.804 -1.409 1
1 791 . 3 1 1 A 60 60 LEU H H 90 7.777 9.365 -1.588 1
1 792 . 3 1 1 A 60 60 LEU HA H 90 4.135 4.351 -0.216 1
1 802 . 3 1 1 A 60 60 LEU C C 90 176.394 177.063 -0.669 1
1 803 . 3 1 1 A 60 60 LEU CA C 90 56.754 56.680 0.074 1
1 804 . 3 1 1 A 60 60 LEU CB C 90 42.413 42.871 -0.458 1
1 808 . 3 1 1 A 60 60 LEU N N 90 119.734 126.183 -6.449 1
1 809 . 3 1 1 A 61 61 GLY H H 91 7.224 7.440 -0.216 1
1 810 . 3 1 1 A 61 61 GLY HA2 H 91 4.165 4.091 0.074 1
1 811 . 3 1 1 A 61 61 GLY HA3 H 91 3.899 4.111 -0.212 1
1 812 . 3 1 1 A 61 61 GLY C C 91 171.742 172.757 -1.015 1
1 813 . 3 1 1 A 61 61 GLY CA C 91 44.969 45.596 -0.627 1
1 814 . 3 1 1 A 61 61 GLY N N 91 103.707 104.395 -0.688 1
1 815 . 3 1 1 A 62 62 LYS H H 92 8.771 8.396 0.375 1
1 816 . 3 1 1 A 62 62 LYS HA H 92 4.150 4.197 -0.047 1
1 825 . 3 1 1 A 62 62 LYS C C 92 177.522 176.520 1.002 1
1 826 . 3 1 1 A 62 62 LYS CA C 92 56.750 56.969 -0.219 1
1 827 . 3 1 1 A 62 62 LYS CB C 92 33.835 32.978 0.857 1
1 831 . 3 1 1 A 62 62 LYS N N 92 118.635 120.198 -1.563 1
1 832 . 3 1 1 A 63 63 MET H H 93 9.188 8.433 0.755 1
1 833 . 3 1 1 A 63 63 MET HA H 93 3.835 4.506 -0.671 1
1 841 . 3 1 1 A 63 63 MET C C 93 173.913 175.749 -1.836 1
1 842 . 3 1 1 A 63 63 MET CA C 93 59.275 53.928 5.347 1
1 843 . 3 1 1 A 63 63 MET CB C 93 31.483 30.940 0.543 1
1 846 . 3 1 1 A 63 63 MET N N 93 123.413 124.190 -0.777 1
1 847 . 3 1 1 A 64 64 TYR H H 94 9.421 8.068 1.353 1
1 848 . 3 1 1 A 64 64 TYR HA H 94 4.767 4.128 0.639 1
1 855 . 3 1 1 A 64 64 TYR C C 94 173.918 174.799 -0.881 1
1 856 . 3 1 1 A 64 64 TYR CA C 94 56.933 61.700 -4.767 1
1 857 . 3 1 1 A 64 64 TYR CB C 94 40.020 38.648 1.372 1
1 860 . 3 1 1 A 64 64 TYR N N 94 129.403 123.663 5.740 1
1 861 . 3 1 1 A 65 65 LYS H H 95 7.289 7.412 -0.123 1
1 862 . 3 1 1 A 65 65 LYS HA H 95 4.688 4.566 0.122 1
1 871 . 3 1 1 A 65 65 LYS C C 95 175.000 173.914 1.086 1
1 872 . 3 1 1 A 65 65 LYS CA C 95 55.841 55.414 0.427 1
1 873 . 3 1 1 A 65 65 LYS CB C 95 40.404 35.311 5.093 1
1 877 . 3 1 1 A 65 65 LYS N N 95 118.804 118.232 0.572 1
1 878 . 3 1 1 A 66 66 THR H H 96 8.727 7.907 0.820 1
1 879 . 3 1 1 A 66 66 THR HA H 96 5.149 5.036 0.113 1
1 885 . 3 1 1 A 66 66 THR C C 96 172.120 172.585 -0.465 1
1 886 . 3 1 1 A 66 66 THR CA C 96 62.226 60.530 1.696 1
1 887 . 3 1 1 A 66 66 THR CB C 96 71.787 71.857 -0.070 1
1 889 . 3 1 1 A 66 66 THR N N 96 116.235 119.548 -3.313 1
1 890 . 3 1 1 A 67 67 TYR H H 97 8.969 9.011 -0.042 1
1 891 . 3 1 1 A 67 67 TYR HA H 97 5.027 5.077 -0.050 1
1 898 . 3 1 1 A 67 67 TYR C C 97 175.077 174.945 0.132 1
1 899 . 3 1 1 A 67 67 TYR CA C 97 57.278 56.501 0.777 1
1 900 . 3 1 1 A 67 67 TYR CB C 97 42.054 41.980 0.074 1
1 903 . 3 1 1 A 67 67 TYR N N 97 125.256 124.451 0.805 1
1 904 . 3 1 1 A 68 68 PHE H H 98 9.189 9.222 -0.033 1
1 905 . 3 1 1 A 68 68 PHE HA H 98 5.177 5.182 -0.005 1
1 913 . 3 1 1 A 68 68 PHE C C 98 174.791 175.233 -0.442 1
1 914 . 3 1 1 A 68 68 PHE CA C 98 57.825 56.529 1.296 1
1 915 . 3 1 1 A 68 68 PHE CB C 98 42.377 43.174 -0.797 1
1 919 . 3 1 1 A 68 68 PHE N N 98 118.574 120.715 -2.141 1
1 920 . 3 1 1 A 69 69 PHE H H 99 8.976 9.722 -0.746 1
1 921 . 3 1 1 A 69 69 PHE HA H 99 4.893 5.317 -0.424 1
1 929 . 3 1 1 A 69 69 PHE C C 99 176.386 175.431 0.955 1
1 930 . 3 1 1 A 69 69 PHE CA C 99 56.777 56.224 0.553 1
1 931 . 3 1 1 A 69 69 PHE CB C 99 41.371 42.194 -0.823 1
1 935 . 3 1 1 A 69 69 PHE N N 99 119.573 121.535 -1.962 1
1 936 . 3 1 1 A 70 70 LYS H H 100 9.479 8.949 0.530 1
1 937 . 3 1 1 A 70 70 LYS HA H 100 4.533 4.282 0.251 1
1 946 . 3 1 1 A 70 70 LYS C C 100 176.156 177.027 -0.871 1
1 947 . 3 1 1 A 70 70 LYS CA C 100 56.706 56.190 0.516 1
1 948 . 3 1 1 A 70 70 LYS CB C 100 33.667 33.129 0.538 1
1 952 . 3 1 1 A 70 70 LYS N N 100 125.614 123.505 2.109 1
1 953 . 3 1 1 A 71 71 LYS H H 101 8.068 8.996 -0.928 1
1 954 . 3 1 1 A 71 71 LYS HA H 101 4.188 4.356 -0.168 1
1 963 . 3 1 1 A 71 71 LYS C C 101 177.655 176.457 1.198 1
1 964 . 3 1 1 A 71 71 LYS CA C 101 58.238 56.343 1.895 1
1 965 . 3 1 1 A 71 71 LYS CB C 101 32.342 30.491 1.851 1
1 969 . 3 1 1 A 71 71 LYS N N 101 121.057 121.986 -0.929 1
1 970 . 3 1 1 A 72 72 GLY H H 102 8.899 7.977 0.922 1
1 971 . 3 1 1 A 72 72 GLY HA2 H 102 4.196 4.081 0.115 1
1 972 . 3 1 1 A 72 72 GLY HA3 H 102 3.815 4.097 -0.282 1
1 973 . 3 1 1 A 72 72 GLY C C 102 173.997 173.554 0.443 1
1 974 . 3 1 1 A 72 72 GLY CA C 102 45.802 45.234 0.568 1
1 975 . 3 1 1 A 72 72 GLY N N 102 114.112 106.866 7.246 1
1 976 . 3 1 1 A 73 73 GLU H H 103 8.047 7.830 0.217 1
1 977 . 3 1 1 A 73 73 GLU HA H 103 4.764 4.915 -0.151 1
1 982 . 3 1 1 A 73 73 GLU C C 103 175.975 174.569 1.406 1
1 983 . 3 1 1 A 73 73 GLU CA C 103 56.295 55.677 0.618 1
1 984 . 3 1 1 A 73 73 GLU CB C 103 31.153 33.655 -2.502 1
1 986 . 3 1 1 A 73 73 GLU N N 103 119.538 119.765 -0.227 1
1 987 . 3 1 1 A 74 74 SER H H 104 8.742 8.793 -0.051 1
1 988 . 3 1 1 A 74 74 SER HA H 104 4.598 4.971 -0.373 1
1 991 . 3 1 1 A 74 74 SER C C 104 171.916 173.153 -1.237 1
1 992 . 3 1 1 A 74 74 SER CA C 104 58.363 57.508 0.855 1
1 993 . 3 1 1 A 74 74 SER CB C 104 64.025 63.935 0.090 1
1 994 . 3 1 1 A 74 74 SER N N 104 115.383 121.953 -6.570 1
1 995 . 3 1 1 A 75 75 LYS H H 105 7.608 7.549 0.059 1
1 996 . 3 1 1 A 75 75 LYS HA H 105 5.588 5.018 0.570 1
1 1005 . 3 1 1 A 75 75 LYS C C 105 176.017 174.470 1.547 1
1 1006 . 3 1 1 A 75 75 LYS CA C 105 54.548 55.635 -1.087 1
1 1007 . 3 1 1 A 75 75 LYS CB C 105 35.211 35.696 -0.485 1
1 1011 . 3 1 1 A 75 75 LYS N N 105 121.040 122.404 -1.364 1
1 1012 . 3 1 1 A 76 76 SER H H 106 8.231 8.704 -0.473 1
1 1013 . 3 1 1 A 76 76 SER HA H 106 3.377 3.971 -0.594 1
1 1016 . 3 1 1 A 76 76 SER C C 106 172.571 174.451 -1.880 1
1 1017 . 3 1 1 A 76 76 SER CA C 106 59.650 57.880 1.770 1
1 1018 . 3 1 1 A 76 76 SER CB C 106 64.857 63.607 1.250 1
1 1019 . 3 1 1 A 76 76 SER N N 106 121.783 119.185 2.598 1
1 1020 . 3 1 1 A 77 77 SER H H 107 8.333 8.919 -0.586 1
1 1021 . 3 1 1 A 77 77 SER HA H 107 5.025 4.592 0.433 1
1 1024 . 3 1 1 A 77 77 SER C C 107 174.507 173.533 0.974 1
1 1025 . 3 1 1 A 77 77 SER CA C 107 57.561 58.959 -1.398 1
1 1026 . 3 1 1 A 77 77 SER CB C 107 65.330 64.957 0.373 1
1 1027 . 3 1 1 A 77 77 SER N N 107 106.276 117.781 -11.505 1
1 1028 . 3 1 1 A 78 78 TYR H H 108 7.825 7.370 0.455 1
1 1029 . 3 1 1 A 78 78 TYR HA H 108 4.754 4.764 -0.010 1
1 1036 . 3 1 1 A 78 78 TYR C C 108 171.725 173.890 -2.165 1
1 1037 . 3 1 1 A 78 78 TYR CA C 108 57.778 56.904 0.874 1
1 1038 . 3 1 1 A 78 78 TYR CB C 108 43.223 41.847 1.376 1
1 1041 . 3 1 1 A 78 78 TYR N N 108 126.289 119.628 6.661 1
1 1042 . 3 1 1 A 79 79 VAL H H 109 7.760 8.360 -0.600 1
1 1043 . 3 1 1 A 79 79 VAL HA H 109 5.215 4.854 0.361 1
1 1051 . 3 1 1 A 79 79 VAL C C 109 172.526 173.062 -0.536 1
1 1052 . 3 1 1 A 79 79 VAL CA C 109 59.193 59.798 -0.605 1
1 1053 . 3 1 1 A 79 79 VAL CB C 109 36.173 35.629 0.544 1
1 1056 . 3 1 1 A 79 79 VAL N N 109 127.825 125.008 2.817 1
1 1057 . 3 1 1 A 80 80 ILE H H 110 8.616 8.405 0.211 1
1 1058 . 3 1 1 A 80 80 ILE HA H 110 4.011 4.501 -0.490 1
1 1068 . 3 1 1 A 80 80 ILE C C 110 174.690 174.486 0.204 1
1 1069 . 3 1 1 A 80 80 ILE CA C 110 60.922 59.841 1.081 1
1 1070 . 3 1 1 A 80 80 ILE CB C 110 42.047 40.920 1.127 1
1 1074 . 3 1 1 A 80 80 ILE N N 110 124.001 126.016 -2.015 1
1 1075 . 3 1 1 A 81 81 ASN H H 111 8.937 8.582 0.355 1
1 1076 . 3 1 1 A 81 81 ASN HA H 111 4.760 4.825 -0.065 1
1 1081 . 3 1 1 A 81 81 ASN C C 111 175.326 174.922 0.404 1
1 1082 . 3 1 1 A 81 81 ASN CA C 111 53.600 52.513 1.087 1
1 1083 . 3 1 1 A 81 81 ASN CB C 111 40.412 39.088 1.324 1
1 1085 . 3 1 1 A 81 81 ASN N N 111 126.229 126.084 0.145 1
1 1087 . 3 1 1 A 82 82 GLY H H 112 7.984 8.525 -0.541 1
1 1088 . 3 1 1 A 82 82 GLY HA2 H 112 4.457 4.052 0.405 1
1 1089 . 3 1 1 A 82 82 GLY HA3 H 112 3.847 4.102 -0.255 1
1 1090 . 3 1 1 A 82 82 GLY C C 112 171.875 173.036 -1.161 1
1 1091 . 3 1 1 A 82 82 GLY CA C 112 43.303 43.967 -0.664 1
1 1092 . 3 1 1 A 82 82 GLY N N 112 110.894 112.785 -1.891 1
1 1093 . 3 1 1 A 83 83 PRO HA H 113 4.609 4.317 0.292 1
1 1100 . 3 1 1 A 83 83 PRO C C 113 178.327 176.472 1.855 1
1 1101 . 3 1 1 A 83 83 PRO CA C 113 63.342 63.609 -0.267 1
1 1102 . 3 1 1 A 83 83 PRO CB C 113 32.232 31.475 0.757 1
1 1105 . 3 1 1 A 84 84 GLY H H 114 8.939 8.253 0.686 1
1 1106 . 3 1 1 A 84 84 GLY HA2 H 114 4.055 4.191 -0.136 1
1 1107 . 3 1 1 A 84 84 GLY HA3 H 114 3.192 4.270 -1.078 1
1 1108 . 3 1 1 A 84 84 GLY C C 114 172.587 173.401 -0.814 1
1 1109 . 3 1 1 A 84 84 GLY CA C 114 44.667 44.445 0.222 1
1 1110 . 3 1 1 A 84 84 GLY N N 114 109.324 110.905 -1.581 1
1 1111 . 3 1 1 A 85 85 LYS H H 115 9.550 8.786 0.764 1
1 1112 . 3 1 1 A 85 85 LYS HA H 115 4.527 4.435 0.092 1
1 1121 . 3 1 1 A 85 85 LYS C C 115 175.690 175.097 0.593 1
1 1122 . 3 1 1 A 85 85 LYS CA C 115 56.251 56.560 -0.309 1
1 1123 . 3 1 1 A 85 85 LYS CB C 115 34.217 35.166 -0.949 1
1 1127 . 3 1 1 A 85 85 LYS N N 115 119.240 119.884 -0.644 1
1 1128 . 3 1 1 A 86 86 THR H H 116 7.327 7.045 0.282 1
1 1129 . 3 1 1 A 86 86 THR HA H 116 3.572 3.929 -0.357 1
1 1134 . 3 1 1 A 86 86 THR C C 116 170.519 173.138 -2.619 1
1 1135 . 3 1 1 A 86 86 THR CA C 116 59.094 60.082 -0.988 1
1 1136 . 3 1 1 A 86 86 THR CB C 116 68.191 69.684 -1.493 1
1 1138 . 3 1 1 A 86 86 THR N N 116 113.403 111.252 2.151 1
1 1139 . 3 1 1 A 87 87 ASN H H 117 8.035 8.455 -0.420 1
1 1140 . 3 1 1 A 87 87 ASN HA H 117 4.914 4.830 0.084 1
1 1145 . 3 1 1 A 87 87 ASN C C 117 175.798 175.802 -0.004 1
1 1146 . 3 1 1 A 87 87 ASN CA C 117 52.062 55.074 -3.012 1
1 1147 . 3 1 1 A 87 87 ASN CB C 117 40.563 39.075 1.488 1
1 1149 . 3 1 1 A 87 87 ASN N N 117 118.907 122.420 -3.513 1
1 1151 . 3 1 1 A 88 88 GLU H H 118 8.362 7.461 0.901 1
1 1152 . 3 1 1 A 88 88 GLU HA H 118 4.116 4.552 -0.436 1
1 1157 . 3 1 1 A 88 88 GLU C C 118 175.935 176.780 -0.845 1
1 1158 . 3 1 1 A 88 88 GLU CA C 118 55.589 55.739 -0.150 1
1 1159 . 3 1 1 A 88 88 GLU CB C 118 29.435 29.281 0.154 1
1 1161 . 3 1 1 A 88 88 GLU N N 118 119.547 118.880 0.667 1
1 1162 . 3 1 1 A 89 89 TYR H H 119 7.918 8.887 -0.969 1
1 1163 . 3 1 1 A 89 89 TYR HA H 119 4.639 4.282 0.357 1
1 1170 . 3 1 1 A 89 89 TYR C C 119 175.750 176.348 -0.598 1
1 1171 . 3 1 1 A 89 89 TYR CA C 119 59.270 58.823 0.447 1
1 1172 . 3 1 1 A 89 89 TYR CB C 119 38.274 36.099 2.175 1
1 1175 . 3 1 1 A 89 89 TYR N N 119 118.293 124.576 -6.283 1
1 1176 . 3 1 1 A 90 90 ALA H H 120 8.285 7.977 0.308 1
1 1177 . 3 1 1 A 90 90 ALA HA H 120 4.273 4.210 0.063 1
1 1181 . 3 1 1 A 90 90 ALA C C 120 175.773 176.696 -0.923 1
1 1182 . 3 1 1 A 90 90 ALA CA C 120 52.014 52.902 -0.888 1
1 1183 . 3 1 1 A 90 90 ALA CB C 120 19.920 17.763 2.157 1
1 1184 . 3 1 1 A 90 90 ALA N N 120 126.212 122.709 3.503 1
1 11 . 4 1 1 A 2 2 SER HA H 32 4.469 4.870 -0.401 1
1 14 . 4 1 1 A 2 2 SER C C 32 174.865 173.575 1.290 1
1 15 . 4 1 1 A 2 2 SER CA C 32 58.680 57.928 0.752 1
1 16 . 4 1 1 A 2 2 SER CB C 32 63.805 66.603 -2.798 1
1 17 . 4 1 1 A 3 3 GLY H H 33 8.513 8.317 0.196 1
1 18 . 4 1 1 A 3 3 GLY HA2 H 33 3.972 4.008 -0.036 1
1 19 . 4 1 1 A 3 3 GLY HA3 H 33 3.972 4.011 -0.039 1
1 20 . 4 1 1 A 3 3 GLY C C 33 173.735 173.961 -0.226 1
1 21 . 4 1 1 A 3 3 GLY CA C 33 45.132 45.526 -0.394 1
1 22 . 4 1 1 A 3 3 GLY N N 33 110.526 110.725 -0.199 1
1 23 . 4 1 1 A 4 4 LEU H H 34 8.145 8.041 0.104 1
1 24 . 4 1 1 A 4 4 LEU HA H 34 4.599 4.906 -0.307 1
1 34 . 4 1 1 A 4 4 LEU C C 34 175.201 174.177 1.024 1
1 35 . 4 1 1 A 4 4 LEU CA C 34 53.002 51.520 1.482 1
1 36 . 4 1 1 A 4 4 LEU CB C 34 41.772 44.270 -2.498 1
1 40 . 4 1 1 A 4 4 LEU N N 34 122.423 120.625 1.798 1
1 41 . 4 1 1 A 5 5 PRO HA H 35 4.551 4.852 -0.301 1
1 48 . 4 1 1 A 5 5 PRO C C 35 176.487 176.308 0.179 1
1 49 . 4 1 1 A 5 5 PRO CA C 35 62.771 62.561 0.210 1
1 50 . 4 1 1 A 5 5 PRO CB C 35 32.488 33.565 -1.077 1
1 53 . 4 1 1 A 6 6 THR H H 36 8.447 8.501 -0.054 1
1 54 . 4 1 1 A 6 6 THR HA H 36 4.445 4.545 -0.100 1
1 59 . 4 1 1 A 6 6 THR C C 36 174.231 173.841 0.390 1
1 60 . 4 1 1 A 6 6 THR CA C 36 61.727 61.420 0.307 1
1 61 . 4 1 1 A 6 6 THR CB C 36 69.213 71.420 -2.207 1
1 63 . 4 1 1 A 6 6 THR N N 36 111.916 114.998 -3.082 1
1 64 . 4 1 1 A 7 7 THR H H 37 7.303 7.415 -0.112 1
1 65 . 4 1 1 A 7 7 THR HA H 37 5.232 4.971 0.261 1
1 70 . 4 1 1 A 7 7 THR C C 37 175.848 174.658 1.190 1
1 71 . 4 1 1 A 7 7 THR CA C 37 58.599 59.134 -0.535 1
1 72 . 4 1 1 A 7 7 THR CB C 37 71.971 72.650 -0.679 1
1 74 . 4 1 1 A 7 7 THR N N 37 110.288 111.545 -1.257 1
1 75 . 4 1 1 A 8 8 LEU H H 38 9.065 8.748 0.317 1
1 76 . 4 1 1 A 8 8 LEU HA H 38 3.829 3.815 0.014 1
1 86 . 4 1 1 A 8 8 LEU C C 38 177.964 179.294 -1.330 1
1 87 . 4 1 1 A 8 8 LEU CA C 38 57.613 57.854 -0.241 1
1 88 . 4 1 1 A 8 8 LEU CB C 38 41.058 41.284 -0.226 1
1 92 . 4 1 1 A 8 8 LEU N N 38 122.441 122.712 -0.271 1
1 93 . 4 1 1 A 9 9 GLY H H 39 8.753 8.081 0.672 1
1 94 . 4 1 1 A 9 9 GLY HA2 H 39 3.969 3.800 0.169 1
1 95 . 4 1 1 A 9 9 GLY HA3 H 39 3.769 3.801 -0.032 1
1 96 . 4 1 1 A 9 9 GLY C C 39 176.615 176.251 0.364 1
1 97 . 4 1 1 A 9 9 GLY CA C 39 47.314 47.103 0.211 1
1 98 . 4 1 1 A 9 9 GLY N N 39 104.356 106.436 -2.080 1
1 99 . 4 1 1 A 10 10 LYS H H 40 7.341 7.905 -0.564 1
1 100 . 4 1 1 A 10 10 LYS HA H 40 4.241 4.140 0.101 1
1 109 . 4 1 1 A 10 10 LYS C C 40 179.292 179.380 -0.088 1
1 110 . 4 1 1 A 10 10 LYS CA C 40 58.108 59.344 -1.236 1
1 111 . 4 1 1 A 10 10 LYS CB C 40 32.346 32.721 -0.375 1
1 115 . 4 1 1 A 10 10 LYS N N 40 120.741 122.290 -1.549 1
1 116 . 4 1 1 A 11 11 LEU H H 41 8.033 7.782 0.251 1
1 117 . 4 1 1 A 11 11 LEU HA H 41 4.059 4.073 -0.014 1
1 127 . 4 1 1 A 11 11 LEU C C 41 177.253 178.019 -0.766 1
1 128 . 4 1 1 A 11 11 LEU CA C 41 57.978 57.856 0.122 1
1 129 . 4 1 1 A 11 11 LEU CB C 41 41.760 41.591 0.169 1
1 133 . 4 1 1 A 11 11 LEU N N 41 121.501 121.662 -0.161 1
1 134 . 4 1 1 A 12 12 ASP H H 42 9.025 8.480 0.545 1
1 135 . 4 1 1 A 12 12 ASP HA H 42 4.045 4.274 -0.229 1
1 138 . 4 1 1 A 12 12 ASP C C 42 176.536 178.669 -2.133 1
1 139 . 4 1 1 A 12 12 ASP CA C 42 58.740 57.998 0.742 1
1 140 . 4 1 1 A 12 12 ASP CB C 42 44.783 42.100 2.683 1
1 141 . 4 1 1 A 12 12 ASP N N 42 119.776 119.260 0.516 1
1 142 . 4 1 1 A 13 13 GLU H H 43 7.253 8.387 -1.134 1
1 143 . 4 1 1 A 13 13 GLU HA H 43 3.869 4.085 -0.216 1
1 148 . 4 1 1 A 13 13 GLU C C 43 178.916 178.794 0.122 1
1 149 . 4 1 1 A 13 13 GLU CA C 43 59.511 59.209 0.302 1
1 150 . 4 1 1 A 13 13 GLU CB C 43 30.131 29.261 0.870 1
1 152 . 4 1 1 A 13 13 GLU N N 43 116.304 119.074 -2.770 1
1 153 . 4 1 1 A 14 14 ARG H H 44 7.234 7.574 -0.340 1
1 154 . 4 1 1 A 14 14 ARG HA H 44 3.920 4.152 -0.232 1
1 163 . 4 1 1 A 14 14 ARG C C 44 177.609 179.419 -1.810 1
1 164 . 4 1 1 A 14 14 ARG CA C 44 58.607 59.028 -0.421 1
1 165 . 4 1 1 A 14 14 ARG CB C 44 30.304 30.139 0.165 1
1 168 . 4 1 1 A 14 14 ARG N N 44 118.267 120.398 -2.131 1
1 171 . 4 1 1 A 15 15 LEU H H 45 8.734 8.803 -0.069 1
1 172 . 4 1 1 A 15 15 LEU HA H 45 3.809 4.226 -0.417 1
1 182 . 4 1 1 A 15 15 LEU C C 45 179.204 179.589 -0.385 1
1 183 . 4 1 1 A 15 15 LEU CA C 45 58.248 58.232 0.016 1
1 184 . 4 1 1 A 15 15 LEU CB C 45 42.076 41.673 0.403 1
1 188 . 4 1 1 A 15 15 LEU N N 45 117.856 119.843 -1.987 1
1 189 . 4 1 1 A 16 16 ARG H H 46 8.280 8.318 -0.038 1
1 190 . 4 1 1 A 16 16 ARG HA H 46 3.863 4.196 -0.333 1
1 200 . 4 1 1 A 16 16 ARG C C 46 179.432 179.139 0.293 1
1 201 . 4 1 1 A 16 16 ARG CA C 46 60.779 59.074 1.705 1
1 202 . 4 1 1 A 16 16 ARG CB C 46 29.824 29.574 0.250 1
1 205 . 4 1 1 A 16 16 ARG N N 46 115.954 119.514 -3.560 1
1 209 . 4 1 1 A 17 17 ASN H H 47 7.433 7.874 -0.441 1
1 210 . 4 1 1 A 17 17 ASN HA H 47 4.458 4.553 -0.095 1
1 215 . 4 1 1 A 17 17 ASN C C 47 177.657 178.139 -0.482 1
1 216 . 4 1 1 A 17 17 ASN CA C 47 56.297 56.205 0.092 1
1 217 . 4 1 1 A 17 17 ASN CB C 47 38.540 38.336 0.204 1
1 219 . 4 1 1 A 17 17 ASN N N 47 118.514 117.519 0.995 1
1 221 . 4 1 1 A 18 18 TYR H H 48 8.945 8.476 0.469 1
1 222 . 4 1 1 A 18 18 TYR HA H 48 4.184 4.328 -0.144 1
1 229 . 4 1 1 A 18 18 TYR C C 48 177.806 178.389 -0.583 1
1 230 . 4 1 1 A 18 18 TYR CA C 48 58.651 60.874 -2.223 1
1 231 . 4 1 1 A 18 18 TYR CB C 48 36.527 37.602 -1.075 1
1 234 . 4 1 1 A 18 18 TYR N N 48 121.714 119.152 2.562 1
1 235 . 4 1 1 A 19 19 LEU H H 49 8.293 8.116 0.177 1
1 236 . 4 1 1 A 19 19 LEU HA H 49 3.410 3.622 -0.212 1
1 246 . 4 1 1 A 19 19 LEU C C 49 179.153 179.295 -0.142 1
1 247 . 4 1 1 A 19 19 LEU CA C 49 57.822 57.836 -0.014 1
1 248 . 4 1 1 A 19 19 LEU CB C 49 41.929 41.048 0.881 1
1 252 . 4 1 1 A 19 19 LEU N N 49 119.284 120.552 -1.268 1
1 253 . 4 1 1 A 20 20 LYS H H 50 7.322 7.632 -0.310 1
1 254 . 4 1 1 A 20 20 LYS HA H 50 3.893 3.899 -0.006 1
1 263 . 4 1 1 A 20 20 LYS C C 50 177.980 179.406 -1.426 1
1 264 . 4 1 1 A 20 20 LYS CA C 50 59.104 60.183 -1.079 1
1 265 . 4 1 1 A 20 20 LYS CB C 50 32.348 32.042 0.306 1
1 269 . 4 1 1 A 20 20 LYS N N 50 117.005 117.152 -0.147 1
1 270 . 4 1 1 A 21 21 LYS H H 51 7.435 8.215 -0.780 1
1 271 . 4 1 1 A 21 21 LYS HA H 51 4.080 4.027 0.053 1
1 280 . 4 1 1 A 21 21 LYS C C 51 178.971 178.122 0.849 1
1 281 . 4 1 1 A 21 21 LYS CA C 51 57.418 58.874 -1.456 1
1 282 . 4 1 1 A 21 21 LYS CB C 51 32.675 32.531 0.144 1
1 286 . 4 1 1 A 21 21 LYS N N 51 115.946 119.352 -3.406 1
1 287 . 4 1 1 A 22 22 GLY H H 52 8.290 7.580 0.710 1
1 288 . 4 1 1 A 22 22 GLY HA2 H 52 3.897 4.080 -0.183 1
1 289 . 4 1 1 A 22 22 GLY HA3 H 52 4.181 4.142 0.039 1
1 290 . 4 1 1 A 22 22 GLY C C 52 173.610 173.532 0.078 1
1 291 . 4 1 1 A 22 22 GLY CA C 52 45.088 45.351 -0.263 1
1 292 . 4 1 1 A 22 22 GLY N N 52 105.432 107.311 -1.879 1
1 293 . 4 1 1 A 23 23 THR H H 53 7.148 7.418 -0.270 1
1 294 . 4 1 1 A 23 23 THR HA H 53 4.838 4.589 0.249 1
1 300 . 4 1 1 A 23 23 THR C C 53 174.444 174.814 -0.370 1
1 301 . 4 1 1 A 23 23 THR CA C 53 59.766 59.372 0.394 1
1 302 . 4 1 1 A 23 23 THR CB C 53 72.471 72.168 0.303 1
1 304 . 4 1 1 A 23 23 THR N N 53 107.608 111.443 -3.835 1
1 305 . 4 1 1 A 24 24 LYS H H 54 8.414 8.616 -0.202 1
1 306 . 4 1 1 A 24 24 LYS HA H 54 4.355 4.075 0.280 1
1 315 . 4 1 1 A 24 24 LYS C C 54 177.632 176.448 1.184 1
1 316 . 4 1 1 A 24 24 LYS CA C 54 57.393 58.241 -0.848 1
1 317 . 4 1 1 A 24 24 LYS CB C 54 32.806 32.232 0.574 1
1 321 . 4 1 1 A 24 24 LYS N N 54 118.924 119.175 -0.251 1
1 322 . 4 1 1 A 25 25 ASN H H 55 7.823 7.866 -0.043 1
1 323 . 4 1 1 A 25 25 ASN HA H 55 4.992 4.872 0.120 1
1 328 . 4 1 1 A 25 25 ASN C C 55 174.882 174.776 0.106 1
1 329 . 4 1 1 A 25 25 ASN CA C 55 51.540 52.484 -0.944 1
1 330 . 4 1 1 A 25 25 ASN CB C 55 38.209 38.787 -0.578 1
1 332 . 4 1 1 A 25 25 ASN N N 55 116.576 118.038 -1.462 1
1 334 . 4 1 1 A 26 26 SER H H 56 8.557 8.837 -0.280 1
1 335 . 4 1 1 A 26 26 SER HA H 56 4.145 4.266 -0.121 1
1 338 . 4 1 1 A 26 26 SER C C 56 176.886 176.356 0.530 1
1 339 . 4 1 1 A 26 26 SER CA C 56 61.051 61.777 -0.726 1
1 340 . 4 1 1 A 26 26 SER CB C 56 62.398 62.636 -0.238 1
1 341 . 4 1 1 A 26 26 SER N N 56 118.968 120.256 -1.288 1
1 342 . 4 1 1 A 27 27 ALA H H 57 8.133 7.877 0.256 1
1 343 . 4 1 1 A 27 27 ALA HA H 57 4.277 4.119 0.158 1
1 347 . 4 1 1 A 27 27 ALA C C 57 177.779 180.024 -2.245 1
1 348 . 4 1 1 A 27 27 ALA CA C 57 54.020 54.892 -0.872 1
1 349 . 4 1 1 A 27 27 ALA CB C 57 18.258 18.373 -0.115 1
1 350 . 4 1 1 A 27 27 ALA N N 57 125.334 124.213 1.121 1
1 351 . 4 1 1 A 28 28 GLN H H 58 7.113 8.206 -1.093 1
1 352 . 4 1 1 A 28 28 GLN HA H 58 4.262 4.217 0.045 1
1 359 . 4 1 1 A 28 28 GLN C C 58 174.984 176.332 -1.348 1
1 360 . 4 1 1 A 28 28 GLN CA C 58 56.272 57.163 -0.891 1
1 361 . 4 1 1 A 28 28 GLN CB C 58 28.627 27.678 0.949 1
1 364 . 4 1 1 A 28 28 GLN N N 58 112.472 113.791 -1.319 1
1 366 . 4 1 1 A 29 29 PHE H H 59 7.361 7.466 -0.105 1
1 367 . 4 1 1 A 29 29 PHE HA H 59 4.622 4.709 -0.087 1
1 375 . 4 1 1 A 29 29 PHE C C 59 173.987 175.334 -1.347 1
1 376 . 4 1 1 A 29 29 PHE CA C 59 59.534 58.725 0.809 1
1 377 . 4 1 1 A 29 29 PHE CB C 59 38.939 39.903 -0.964 1
1 381 . 4 1 1 A 29 29 PHE N N 59 118.258 119.770 -1.512 1
1 382 . 4 1 1 A 30 30 GLU H H 60 9.228 9.626 -0.398 1
1 383 . 4 1 1 A 30 30 GLU HA H 60 4.479 4.730 -0.251 1
1 388 . 4 1 1 A 30 30 GLU C C 60 176.282 175.971 0.311 1
1 389 . 4 1 1 A 30 30 GLU CA C 60 57.063 57.924 -0.861 1
1 390 . 4 1 1 A 30 30 GLU CB C 60 33.512 32.858 0.654 1
1 392 . 4 1 1 A 30 30 GLU N N 60 125.247 123.713 1.534 1
1 393 . 4 1 1 A 31 31 LYS H H 61 7.998 7.547 0.451 1
1 394 . 4 1 1 A 31 31 LYS HA H 61 5.074 4.671 0.403 1
1 403 . 4 1 1 A 31 31 LYS C C 61 172.325 174.500 -2.175 1
1 404 . 4 1 1 A 31 31 LYS CA C 61 54.881 54.976 -0.095 1
1 405 . 4 1 1 A 31 31 LYS CB C 61 35.683 34.981 0.702 1
1 409 . 4 1 1 A 31 31 LYS N N 61 113.709 115.354 -1.645 1
1 410 . 4 1 1 A 32 32 MET H H 62 9.051 8.948 0.103 1
1 411 . 4 1 1 A 32 32 MET HA H 62 5.630 5.297 0.333 1
1 419 . 4 1 1 A 32 32 MET C C 62 172.898 174.149 -1.251 1
1 420 . 4 1 1 A 32 32 MET CA C 62 53.043 53.217 -0.174 1
1 421 . 4 1 1 A 32 32 MET CB C 62 35.214 35.593 -0.379 1
1 424 . 4 1 1 A 32 32 MET N N 62 118.635 116.379 2.256 1
1 425 . 4 1 1 A 33 33 VAL H H 63 9.186 8.645 0.541 1
1 426 . 4 1 1 A 33 33 VAL HA H 63 4.700 4.896 -0.196 1
1 434 . 4 1 1 A 33 33 VAL C C 63 174.133 173.688 0.445 1
1 435 . 4 1 1 A 33 33 VAL CA C 63 61.351 59.934 1.417 1
1 436 . 4 1 1 A 33 33 VAL CB C 63 34.651 35.610 -0.959 1
1 439 . 4 1 1 A 33 33 VAL N N 63 122.441 118.621 3.820 1
1 440 . 4 1 1 A 34 34 ILE H H 64 9.244 9.164 0.080 1
1 441 . 4 1 1 A 34 34 ILE HA H 64 4.302 4.864 -0.562 1
1 451 . 4 1 1 A 34 34 ILE C C 64 174.924 175.087 -0.163 1
1 452 . 4 1 1 A 34 34 ILE CA C 64 60.422 59.746 0.676 1
1 453 . 4 1 1 A 34 34 ILE CB C 64 41.255 41.161 0.094 1
1 457 . 4 1 1 A 34 34 ILE N N 64 127.876 128.412 -0.536 1
1 458 . 4 1 1 A 35 35 LEU H H 65 9.117 9.108 0.009 1
1 459 . 4 1 1 A 35 35 LEU HA H 65 5.531 5.531 0.000 1
1 469 . 4 1 1 A 35 35 LEU C C 65 178.538 176.235 2.303 1
1 470 . 4 1 1 A 35 35 LEU CA C 65 53.047 53.129 -0.082 1
1 471 . 4 1 1 A 35 35 LEU CB C 65 43.797 44.497 -0.700 1
1 475 . 4 1 1 A 35 35 LEU N N 65 125.572 126.558 -0.986 1
1 476 . 4 1 1 A 36 36 THR H H 66 8.634 8.841 -0.207 1
1 477 . 4 1 1 A 36 36 THR HA H 66 5.212 5.387 -0.175 1
1 482 . 4 1 1 A 36 36 THR C C 66 174.918 174.056 0.862 1
1 483 . 4 1 1 A 36 36 THR CA C 66 59.374 59.538 -0.164 1
1 484 . 4 1 1 A 36 36 THR CB C 66 72.100 71.761 0.339 1
1 486 . 4 1 1 A 36 36 THR N N 66 112.840 114.976 -2.136 1
1 487 . 4 1 1 A 37 37 GLU H H 67 8.580 8.630 -0.050 1
1 488 . 4 1 1 A 37 37 GLU HA H 67 4.469 4.134 0.335 1
1 493 . 4 1 1 A 37 37 GLU C C 67 177.333 176.831 0.502 1
1 494 . 4 1 1 A 37 37 GLU CA C 67 57.348 56.123 1.225 1
1 495 . 4 1 1 A 37 37 GLU CB C 67 31.357 30.548 0.809 1
1 497 . 4 1 1 A 37 37 GLU N N 67 118.675 121.397 -2.722 1
1 498 . 4 1 1 A 38 38 ASN H H 68 8.580 9.105 -0.525 1
1 499 . 4 1 1 A 38 38 ASN HA H 68 3.768 4.225 -0.457 1
1 504 . 4 1 1 A 38 38 ASN C C 68 172.921 174.383 -1.462 1
1 505 . 4 1 1 A 38 38 ASN CA C 68 54.686 54.442 0.244 1
1 506 . 4 1 1 A 38 38 ASN CB C 68 36.511 37.082 -0.571 1
1 508 . 4 1 1 A 38 38 ASN N N 68 114.341 116.459 -2.118 1
1 510 . 4 1 1 A 39 39 LYS H H 69 7.891 8.237 -0.346 1
1 511 . 4 1 1 A 39 39 LYS HA H 69 3.936 3.732 0.204 1
1 520 . 4 1 1 A 39 39 LYS C C 69 177.032 176.044 0.988 1
1 521 . 4 1 1 A 39 39 LYS CA C 69 56.758 57.302 -0.544 1
1 522 . 4 1 1 A 39 39 LYS CB C 69 28.099 29.619 -1.520 1
1 526 . 4 1 1 A 39 39 LYS N N 69 107.932 109.588 -1.656 1
1 527 . 4 1 1 A 40 40 GLY H H 70 6.998 7.744 -0.746 1
1 528 . 4 1 1 A 40 40 GLY HA2 H 70 4.362 3.789 0.573 1
1 529 . 4 1 1 A 40 40 GLY HA3 H 70 3.875 3.927 -0.052 1
1 530 . 4 1 1 A 40 40 GLY C C 70 173.763 171.942 1.821 1
1 531 . 4 1 1 A 40 40 GLY CA C 70 46.628 45.744 0.884 1
1 532 . 4 1 1 A 40 40 GLY N N 70 107.011 107.596 -0.585 1
1 533 . 4 1 1 A 41 41 TYR H H 71 7.679 8.415 -0.736 1
1 534 . 4 1 1 A 41 41 TYR HA H 71 5.097 5.305 -0.208 1
1 541 . 4 1 1 A 41 41 TYR C C 71 174.452 172.956 1.496 1
1 542 . 4 1 1 A 41 41 TYR CA C 71 57.730 56.197 1.533 1
1 543 . 4 1 1 A 41 41 TYR CB C 71 40.474 41.708 -1.234 1
1 546 . 4 1 1 A 41 41 TYR N N 71 129.822 123.775 6.047 1
1 547 . 4 1 1 A 42 42 TYR H H 72 9.101 8.475 0.626 1
1 548 . 4 1 1 A 42 42 TYR HA H 72 4.875 4.995 -0.120 1
1 555 . 4 1 1 A 42 42 TYR C C 72 174.448 174.325 0.123 1
1 556 . 4 1 1 A 42 42 TYR CA C 72 56.114 56.474 -0.360 1
1 557 . 4 1 1 A 42 42 TYR CB C 72 41.115 42.758 -1.643 1
1 560 . 4 1 1 A 42 42 TYR N N 72 126.527 126.451 0.076 1
1 561 . 4 1 1 A 43 43 THR H H 73 9.022 8.948 0.074 1
1 562 . 4 1 1 A 43 43 THR HA H 73 4.876 5.258 -0.382 1
1 567 . 4 1 1 A 43 43 THR C C 73 174.791 172.622 2.169 1
1 568 . 4 1 1 A 43 43 THR CA C 73 62.821 59.642 3.179 1
1 569 . 4 1 1 A 43 43 THR CB C 73 68.769 71.800 -3.031 1
1 571 . 4 1 1 A 43 43 THR N N 73 120.810 116.421 4.389 1
1 572 . 4 1 1 A 44 44 VAL H H 74 9.233 8.636 0.597 1
1 573 . 4 1 1 A 44 44 VAL HA H 74 4.427 4.810 -0.383 1
1 581 . 4 1 1 A 44 44 VAL C C 74 175.094 174.736 0.358 1
1 582 . 4 1 1 A 44 44 VAL CA C 74 61.457 60.819 0.638 1
1 583 . 4 1 1 A 44 44 VAL CB C 74 35.669 36.123 -0.454 1
1 586 . 4 1 1 A 44 44 VAL N N 74 129.156 126.039 3.117 1
1 587 . 4 1 1 A 45 45 TYR H H 75 9.384 8.979 0.405 1
1 588 . 4 1 1 A 45 45 TYR HA H 75 4.528 4.730 -0.202 1
1 595 . 4 1 1 A 45 45 TYR C C 75 176.497 175.954 0.543 1
1 596 . 4 1 1 A 45 45 TYR CA C 75 59.843 58.670 1.173 1
1 597 . 4 1 1 A 45 45 TYR CB C 75 38.245 39.405 -1.160 1
1 600 . 4 1 1 A 45 45 TYR N N 75 128.465 125.176 3.289 1
1 601 . 4 1 1 A 46 46 LEU H H 76 8.524 9.091 -0.567 1
1 602 . 4 1 1 A 46 46 LEU HA H 76 4.528 4.584 -0.056 1
1 612 . 4 1 1 A 46 46 LEU C C 76 177.001 178.405 -1.404 1
1 613 . 4 1 1 A 46 46 LEU CA C 76 55.010 54.909 0.101 1
1 614 . 4 1 1 A 46 46 LEU CB C 76 42.094 42.761 -0.667 1
1 618 . 4 1 1 A 46 46 LEU N N 76 119.547 124.096 -4.549 1
1 619 . 4 1 1 A 47 47 ASN H H 77 8.599 8.022 0.577 1
1 620 . 4 1 1 A 47 47 ASN HA H 77 4.618 4.651 -0.033 1
1 625 . 4 1 1 A 47 47 ASN C C 77 173.844 175.612 -1.768 1
1 626 . 4 1 1 A 47 47 ASN CA C 77 54.045 55.939 -1.894 1
1 627 . 4 1 1 A 47 47 ASN CB C 77 37.058 38.969 -1.911 1
1 629 . 4 1 1 A 47 47 ASN N N 77 116.407 116.025 0.382 1
1 631 . 4 1 1 A 48 48 THR H H 78 7.429 7.787 -0.358 1
1 632 . 4 1 1 A 48 48 THR HA H 78 4.803 5.094 -0.291 1
1 637 . 4 1 1 A 48 48 THR C C 78 175.201 172.837 2.364 1
1 638 . 4 1 1 A 48 48 THR CA C 78 58.577 58.815 -0.238 1
1 639 . 4 1 1 A 48 48 THR CB C 78 70.494 70.859 -0.365 1
1 641 . 4 1 1 A 48 48 THR N N 78 111.551 108.709 2.842 1
1 642 . 4 1 1 A 49 49 PRO HA H 79 4.462 4.655 -0.193 1
1 649 . 4 1 1 A 49 49 PRO C C 79 176.670 176.698 -0.028 1
1 650 . 4 1 1 A 49 49 PRO CA C 79 62.384 62.585 -0.201 1
1 651 . 4 1 1 A 49 49 PRO CB C 79 32.205 32.364 -0.159 1
1 654 . 4 1 1 A 50 50 LEU H H 80 9.049 8.302 0.747 1
1 655 . 4 1 1 A 50 50 LEU HA H 80 4.081 4.455 -0.374 1
1 665 . 4 1 1 A 50 50 LEU C C 80 176.758 176.859 -0.101 1
1 666 . 4 1 1 A 50 50 LEU CA C 80 55.315 53.541 1.774 1
1 667 . 4 1 1 A 50 50 LEU CB C 80 41.915 43.544 -1.629 1
1 671 . 4 1 1 A 50 50 LEU N N 80 126.341 119.099 7.242 1
1 672 . 4 1 1 A 51 51 ALA H H 81 8.415 8.744 -0.329 1
1 673 . 4 1 1 A 51 51 ALA HA H 81 4.187 4.422 -0.235 1
1 677 . 4 1 1 A 51 51 ALA C C 81 179.005 178.432 0.573 1
1 678 . 4 1 1 A 51 51 ALA CA C 81 52.851 52.276 0.575 1
1 679 . 4 1 1 A 51 51 ALA CB C 81 19.625 19.055 0.570 1
1 680 . 4 1 1 A 51 51 ALA N N 81 129.745 122.849 6.896 1
1 681 . 4 1 1 A 52 52 GLU H H 82 8.739 8.940 -0.201 1
1 682 . 4 1 1 A 52 52 GLU HA H 82 3.815 4.039 -0.224 1
1 687 . 4 1 1 A 52 52 GLU C C 82 178.591 178.311 0.280 1
1 688 . 4 1 1 A 52 52 GLU CA C 82 59.566 59.301 0.265 1
1 689 . 4 1 1 A 52 52 GLU CB C 82 29.774 29.280 0.494 1
1 691 . 4 1 1 A 52 52 GLU N N 82 121.424 123.823 -2.399 1
1 692 . 4 1 1 A 53 53 ASP H H 83 8.511 8.263 0.248 1
1 693 . 4 1 1 A 53 53 ASP HA H 83 4.427 4.398 0.029 1
1 696 . 4 1 1 A 53 53 ASP C C 83 177.306 178.467 -1.161 1
1 697 . 4 1 1 A 53 53 ASP CA C 83 55.398 56.477 -1.079 1
1 698 . 4 1 1 A 53 53 ASP CB C 83 39.430 40.237 -0.807 1
1 699 . 4 1 1 A 53 53 ASP N N 83 114.043 120.161 -6.118 1
1 700 . 4 1 1 A 54 54 ARG H H 84 7.800 7.551 0.249 1
1 701 . 4 1 1 A 54 54 ARG HA H 84 4.527 4.174 0.353 1
1 710 . 4 1 1 A 54 54 ARG C C 84 176.966 177.683 -0.717 1
1 711 . 4 1 1 A 54 54 ARG CA C 84 55.915 58.240 -2.325 1
1 712 . 4 1 1 A 54 54 ARG CB C 84 31.804 30.223 1.581 1
1 715 . 4 1 1 A 54 54 ARG N N 84 118.147 119.236 -1.089 1
1 718 . 4 1 1 A 55 55 LYS H H 85 7.335 7.373 -0.038 1
1 719 . 4 1 1 A 55 55 LYS HA H 85 3.551 4.180 -0.629 1
1 728 . 4 1 1 A 55 55 LYS C C 85 178.113 177.215 0.898 1
1 729 . 4 1 1 A 55 55 LYS CA C 85 59.887 58.167 1.720 1
1 730 . 4 1 1 A 55 55 LYS CB C 85 32.935 32.194 0.741 1
1 734 . 4 1 1 A 55 55 LYS N N 85 116.576 118.585 -2.009 1
1 735 . 4 1 1 A 56 56 ASN H H 86 8.347 7.545 0.802 1
1 736 . 4 1 1 A 56 56 ASN HA H 86 4.886 4.807 0.079 1
1 741 . 4 1 1 A 56 56 ASN C C 86 174.736 175.351 -0.615 1
1 742 . 4 1 1 A 56 56 ASN CA C 86 52.265 53.404 -1.139 1
1 743 . 4 1 1 A 56 56 ASN CB C 86 38.239 40.071 -1.832 1
1 745 . 4 1 1 A 56 56 ASN N N 86 114.341 115.847 -1.506 1
1 747 . 4 1 1 A 57 57 VAL H H 87 6.985 7.181 -0.196 1
1 748 . 4 1 1 A 57 57 VAL HA H 87 3.746 4.007 -0.261 1
1 756 . 4 1 1 A 57 57 VAL C C 87 175.380 176.249 -0.869 1
1 757 . 4 1 1 A 57 57 VAL CA C 87 63.723 62.435 1.288 1
1 758 . 4 1 1 A 57 57 VAL CB C 87 32.650 32.874 -0.224 1
1 761 . 4 1 1 A 57 57 VAL N N 87 121.424 121.760 -0.336 1
1 762 . 4 1 1 A 58 58 GLU H H 88 8.777 8.636 0.141 1
1 763 . 4 1 1 A 58 58 GLU HA H 88 4.339 4.492 -0.153 1
1 768 . 4 1 1 A 58 58 GLU C C 88 176.364 176.573 -0.209 1
1 769 . 4 1 1 A 58 58 GLU CA C 88 56.085 56.557 -0.472 1
1 770 . 4 1 1 A 58 58 GLU CB C 88 29.861 30.018 -0.157 1
1 772 . 4 1 1 A 58 58 GLU N N 88 129.489 127.825 1.664 1
1 773 . 4 1 1 A 59 59 LEU H H 89 8.230 8.599 -0.369 1
1 774 . 4 1 1 A 59 59 LEU HA H 89 4.299 4.212 0.087 1
1 784 . 4 1 1 A 59 59 LEU C C 89 178.976 177.685 1.291 1
1 785 . 4 1 1 A 59 59 LEU CA C 89 54.651 55.484 -0.833 1
1 786 . 4 1 1 A 59 59 LEU CB C 89 42.596 41.549 1.047 1
1 790 . 4 1 1 A 59 59 LEU N N 89 124.395 126.325 -1.930 1
1 791 . 4 1 1 A 60 60 LEU H H 90 7.777 8.973 -1.196 1
1 792 . 4 1 1 A 60 60 LEU HA H 90 4.135 4.143 -0.008 1
1 802 . 4 1 1 A 60 60 LEU C C 90 176.394 176.930 -0.536 1
1 803 . 4 1 1 A 60 60 LEU CA C 90 56.754 57.523 -0.769 1
1 804 . 4 1 1 A 60 60 LEU CB C 90 42.413 42.535 -0.122 1
1 808 . 4 1 1 A 60 60 LEU N N 90 119.734 125.387 -5.653 1
1 809 . 4 1 1 A 61 61 GLY H H 91 7.224 7.493 -0.269 1
1 810 . 4 1 1 A 61 61 GLY HA2 H 91 4.165 4.059 0.106 1
1 811 . 4 1 1 A 61 61 GLY HA3 H 91 3.899 4.060 -0.161 1
1 812 . 4 1 1 A 61 61 GLY C C 91 171.742 172.186 -0.444 1
1 813 . 4 1 1 A 61 61 GLY CA C 91 44.969 45.699 -0.730 1
1 814 . 4 1 1 A 61 61 GLY N N 91 103.707 104.154 -0.447 1
1 815 . 4 1 1 A 62 62 LYS H H 92 8.771 8.844 -0.073 1
1 816 . 4 1 1 A 62 62 LYS HA H 92 4.150 4.208 -0.058 1
1 825 . 4 1 1 A 62 62 LYS C C 92 177.522 176.741 0.781 1
1 826 . 4 1 1 A 62 62 LYS CA C 92 56.750 56.338 0.412 1
1 827 . 4 1 1 A 62 62 LYS CB C 92 33.835 32.845 0.990 1
1 831 . 4 1 1 A 62 62 LYS N N 92 118.635 120.087 -1.452 1
1 832 . 4 1 1 A 63 63 MET H H 93 9.188 8.533 0.655 1
1 833 . 4 1 1 A 63 63 MET HA H 93 3.835 4.500 -0.665 1
1 841 . 4 1 1 A 63 63 MET C C 93 173.913 175.711 -1.798 1
1 842 . 4 1 1 A 63 63 MET CA C 93 59.275 53.930 5.345 1
1 843 . 4 1 1 A 63 63 MET CB C 93 31.483 31.023 0.460 1
1 846 . 4 1 1 A 63 63 MET N N 93 123.413 122.535 0.878 1
1 847 . 4 1 1 A 64 64 TYR H H 94 9.421 8.382 1.039 1
1 848 . 4 1 1 A 64 64 TYR HA H 94 4.767 4.176 0.591 1
1 855 . 4 1 1 A 64 64 TYR C C 94 173.918 174.918 -1.000 1
1 856 . 4 1 1 A 64 64 TYR CA C 94 56.933 61.593 -4.660 1
1 857 . 4 1 1 A 64 64 TYR CB C 94 40.020 39.048 0.972 1
1 860 . 4 1 1 A 64 64 TYR N N 94 129.403 125.716 3.687 1
1 861 . 4 1 1 A 65 65 LYS H H 95 7.289 7.677 -0.388 1
1 862 . 4 1 1 A 65 65 LYS HA H 95 4.688 4.643 0.045 1
1 871 . 4 1 1 A 65 65 LYS C C 95 175.000 174.467 0.533 1
1 872 . 4 1 1 A 65 65 LYS CA C 95 55.841 55.033 0.808 1
1 873 . 4 1 1 A 65 65 LYS CB C 95 40.404 36.451 3.953 1
1 877 . 4 1 1 A 65 65 LYS N N 95 118.804 117.144 1.660 1
1 878 . 4 1 1 A 66 66 THR H H 96 8.727 7.913 0.814 1
1 879 . 4 1 1 A 66 66 THR HA H 96 5.149 5.027 0.122 1
1 885 . 4 1 1 A 66 66 THR C C 96 172.120 172.593 -0.473 1
1 886 . 4 1 1 A 66 66 THR CA C 96 62.226 60.447 1.779 1
1 887 . 4 1 1 A 66 66 THR CB C 96 71.787 71.890 -0.103 1
1 889 . 4 1 1 A 66 66 THR N N 96 116.235 116.566 -0.331 1
1 890 . 4 1 1 A 67 67 TYR H H 97 8.969 8.921 0.048 1
1 891 . 4 1 1 A 67 67 TYR HA H 97 5.027 5.117 -0.090 1
1 898 . 4 1 1 A 67 67 TYR C C 97 175.077 174.426 0.651 1
1 899 . 4 1 1 A 67 67 TYR CA C 97 57.278 56.644 0.634 1
1 900 . 4 1 1 A 67 67 TYR CB C 97 42.054 42.857 -0.803 1
1 903 . 4 1 1 A 67 67 TYR N N 97 125.256 123.632 1.624 1
1 904 . 4 1 1 A 68 68 PHE H H 98 9.189 8.930 0.259 1
1 905 . 4 1 1 A 68 68 PHE HA H 98 5.177 4.890 0.287 1
1 913 . 4 1 1 A 68 68 PHE C C 98 174.791 174.616 0.175 1
1 914 . 4 1 1 A 68 68 PHE CA C 98 57.825 56.502 1.323 1
1 915 . 4 1 1 A 68 68 PHE CB C 98 42.377 43.351 -0.974 1
1 919 . 4 1 1 A 68 68 PHE N N 98 118.574 119.629 -1.055 1
1 920 . 4 1 1 A 69 69 PHE H H 99 8.976 9.212 -0.236 1
1 921 . 4 1 1 A 69 69 PHE HA H 99 4.893 5.178 -0.285 1
1 929 . 4 1 1 A 69 69 PHE C C 99 176.386 175.415 0.971 1
1 930 . 4 1 1 A 69 69 PHE CA C 99 56.777 56.299 0.478 1
1 931 . 4 1 1 A 69 69 PHE CB C 99 41.371 42.642 -1.271 1
1 935 . 4 1 1 A 69 69 PHE N N 99 119.573 120.762 -1.189 1
1 936 . 4 1 1 A 70 70 LYS H H 100 9.479 8.580 0.899 1
1 937 . 4 1 1 A 70 70 LYS HA H 100 4.533 4.606 -0.073 1
1 946 . 4 1 1 A 70 70 LYS C C 100 176.156 176.854 -0.698 1
1 947 . 4 1 1 A 70 70 LYS CA C 100 56.706 55.268 1.438 1
1 948 . 4 1 1 A 70 70 LYS CB C 100 33.667 33.240 0.427 1
1 952 . 4 1 1 A 70 70 LYS N N 100 125.614 122.150 3.464 1
1 953 . 4 1 1 A 71 71 LYS H H 101 8.068 8.886 -0.818 1
1 954 . 4 1 1 A 71 71 LYS HA H 101 4.188 4.126 0.062 1
1 963 . 4 1 1 A 71 71 LYS C C 101 177.655 177.279 0.376 1
1 964 . 4 1 1 A 71 71 LYS CA C 101 58.238 58.368 -0.130 1
1 965 . 4 1 1 A 71 71 LYS CB C 101 32.342 31.545 0.797 1
1 969 . 4 1 1 A 71 71 LYS N N 101 121.057 122.024 -0.967 1
1 970 . 4 1 1 A 72 72 GLY H H 102 8.899 8.860 0.039 1
1 971 . 4 1 1 A 72 72 GLY HA2 H 102 4.196 4.067 0.129 1
1 972 . 4 1 1 A 72 72 GLY HA3 H 102 3.815 4.075 -0.260 1
1 973 . 4 1 1 A 72 72 GLY C C 102 173.997 174.231 -0.234 1
1 974 . 4 1 1 A 72 72 GLY CA C 102 45.802 45.000 0.802 1
1 975 . 4 1 1 A 72 72 GLY N N 102 114.112 113.420 0.692 1
1 976 . 4 1 1 A 73 73 GLU H H 103 8.047 7.958 0.089 1
1 977 . 4 1 1 A 73 73 GLU HA H 103 4.764 4.800 -0.036 1
1 982 . 4 1 1 A 73 73 GLU C C 103 175.975 175.645 0.330 1
1 983 . 4 1 1 A 73 73 GLU CA C 103 56.295 54.739 1.556 1
1 984 . 4 1 1 A 73 73 GLU CB C 103 31.153 31.619 -0.466 1
1 986 . 4 1 1 A 73 73 GLU N N 103 119.538 120.613 -1.075 1
1 987 . 4 1 1 A 74 74 SER H H 104 8.742 8.705 0.037 1
1 988 . 4 1 1 A 74 74 SER HA H 104 4.598 4.762 -0.164 1
1 991 . 4 1 1 A 74 74 SER C C 104 171.916 173.529 -1.613 1
1 992 . 4 1 1 A 74 74 SER CA C 104 58.363 57.252 1.111 1
1 993 . 4 1 1 A 74 74 SER CB C 104 64.025 64.692 -0.667 1
1 994 . 4 1 1 A 74 74 SER N N 104 115.383 113.950 1.433 1
1 995 . 4 1 1 A 75 75 LYS H H 105 7.608 7.471 0.137 1
1 996 . 4 1 1 A 75 75 LYS HA H 105 5.588 5.198 0.390 1
1 1005 . 4 1 1 A 75 75 LYS C C 105 176.017 174.867 1.150 1
1 1006 . 4 1 1 A 75 75 LYS CA C 105 54.548 55.211 -0.663 1
1 1007 . 4 1 1 A 75 75 LYS CB C 105 35.211 36.313 -1.102 1
1 1011 . 4 1 1 A 75 75 LYS N N 105 121.040 123.285 -2.245 1
1 1012 . 4 1 1 A 76 76 SER H H 106 8.231 9.105 -0.874 1
1 1013 . 4 1 1 A 76 76 SER HA H 106 3.377 4.455 -1.078 1
1 1016 . 4 1 1 A 76 76 SER C C 106 172.571 174.185 -1.614 1
1 1017 . 4 1 1 A 76 76 SER CA C 106 59.650 57.806 1.844 1
1 1018 . 4 1 1 A 76 76 SER CB C 106 64.857 64.750 0.107 1
1 1019 . 4 1 1 A 76 76 SER N N 106 121.783 118.270 3.513 1
1 1020 . 4 1 1 A 77 77 SER H H 107 8.333 8.902 -0.569 1
1 1021 . 4 1 1 A 77 77 SER HA H 107 5.025 4.720 0.305 1
1 1024 . 4 1 1 A 77 77 SER C C 107 174.507 173.598 0.909 1
1 1025 . 4 1 1 A 77 77 SER CA C 107 57.561 58.091 -0.530 1
1 1026 . 4 1 1 A 77 77 SER CB C 107 65.330 65.705 -0.375 1
1 1027 . 4 1 1 A 77 77 SER N N 107 106.276 116.733 -10.457 1
1 1028 . 4 1 1 A 78 78 TYR H H 108 7.825 7.225 0.600 1
1 1029 . 4 1 1 A 78 78 TYR HA H 108 4.754 4.753 0.001 1
1 1036 . 4 1 1 A 78 78 TYR C C 108 171.725 173.736 -2.011 1
1 1037 . 4 1 1 A 78 78 TYR CA C 108 57.778 56.945 0.833 1
1 1038 . 4 1 1 A 78 78 TYR CB C 108 43.223 41.749 1.474 1
1 1041 . 4 1 1 A 78 78 TYR N N 108 126.289 119.735 6.554 1
1 1042 . 4 1 1 A 79 79 VAL H H 109 7.760 8.253 -0.493 1
1 1043 . 4 1 1 A 79 79 VAL HA H 109 5.215 4.739 0.476 1
1 1051 . 4 1 1 A 79 79 VAL C C 109 172.526 172.612 -0.086 1
1 1052 . 4 1 1 A 79 79 VAL CA C 109 59.193 59.983 -0.790 1
1 1053 . 4 1 1 A 79 79 VAL CB C 109 36.173 34.904 1.269 1
1 1056 . 4 1 1 A 79 79 VAL N N 109 127.825 124.998 2.827 1
1 1057 . 4 1 1 A 80 80 ILE H H 110 8.616 8.382 0.234 1
1 1058 . 4 1 1 A 80 80 ILE HA H 110 4.011 4.457 -0.446 1
1 1068 . 4 1 1 A 80 80 ILE C C 110 174.690 174.298 0.392 1
1 1069 . 4 1 1 A 80 80 ILE CA C 110 60.922 59.900 1.022 1
1 1070 . 4 1 1 A 80 80 ILE CB C 110 42.047 41.771 0.276 1
1 1074 . 4 1 1 A 80 80 ILE N N 110 124.001 126.023 -2.022 1
1 1075 . 4 1 1 A 81 81 ASN H H 111 8.937 8.394 0.543 1
1 1076 . 4 1 1 A 81 81 ASN HA H 111 4.760 5.211 -0.451 1
1 1081 . 4 1 1 A 81 81 ASN C C 111 175.326 175.248 0.078 1
1 1082 . 4 1 1 A 81 81 ASN CA C 111 53.600 51.937 1.663 1
1 1083 . 4 1 1 A 81 81 ASN CB C 111 40.412 40.447 -0.035 1
1 1085 . 4 1 1 A 81 81 ASN N N 111 126.229 124.739 1.490 1
1 1087 . 4 1 1 A 82 82 GLY H H 112 7.984 8.377 -0.393 1
1 1088 . 4 1 1 A 82 82 GLY HA2 H 112 4.457 4.211 0.246 1
1 1089 . 4 1 1 A 82 82 GLY HA3 H 112 3.847 4.244 -0.397 1
1 1090 . 4 1 1 A 82 82 GLY C C 112 171.875 171.420 0.455 1
1 1091 . 4 1 1 A 82 82 GLY CA C 112 43.303 45.035 -1.732 1
1 1092 . 4 1 1 A 82 82 GLY N N 112 110.894 109.184 1.710 1
1 1093 . 4 1 1 A 83 83 PRO HA H 113 4.609 4.304 0.305 1
1 1100 . 4 1 1 A 83 83 PRO C C 113 178.327 177.687 0.640 1
1 1101 . 4 1 1 A 83 83 PRO CA C 113 63.342 63.401 -0.059 1
1 1102 . 4 1 1 A 83 83 PRO CB C 113 32.232 31.974 0.258 1
1 1105 . 4 1 1 A 84 84 GLY H H 114 8.939 8.883 0.056 1
1 1106 . 4 1 1 A 84 84 GLY HA2 H 114 4.055 3.949 0.106 1
1 1107 . 4 1 1 A 84 84 GLY HA3 H 114 3.192 3.996 -0.804 1
1 1108 . 4 1 1 A 84 84 GLY C C 114 172.587 175.210 -2.623 1
1 1109 . 4 1 1 A 84 84 GLY CA C 114 44.667 45.339 -0.672 1
1 1110 . 4 1 1 A 84 84 GLY N N 114 109.324 111.380 -2.056 1
1 1111 . 4 1 1 A 85 85 LYS H H 115 9.550 8.290 1.260 1
1 1112 . 4 1 1 A 85 85 LYS HA H 115 4.527 4.049 0.478 1
1 1121 . 4 1 1 A 85 85 LYS C C 115 175.690 174.745 0.945 1
1 1122 . 4 1 1 A 85 85 LYS CA C 115 56.251 57.633 -1.382 1
1 1123 . 4 1 1 A 85 85 LYS CB C 115 34.217 32.254 1.963 1
1 1127 . 4 1 1 A 85 85 LYS N N 115 119.240 119.584 -0.344 1
1 1128 . 4 1 1 A 86 86 THR H H 116 7.327 7.284 0.043 1
1 1129 . 4 1 1 A 86 86 THR HA H 116 3.572 3.691 -0.119 1
1 1134 . 4 1 1 A 86 86 THR C C 116 170.519 172.531 -2.012 1
1 1135 . 4 1 1 A 86 86 THR CA C 116 59.094 60.199 -1.105 1
1 1136 . 4 1 1 A 86 86 THR CB C 116 68.191 69.483 -1.292 1
1 1138 . 4 1 1 A 86 86 THR N N 116 113.403 111.842 1.561 1
1 1139 . 4 1 1 A 87 87 ASN H H 117 8.035 8.631 -0.596 1
1 1140 . 4 1 1 A 87 87 ASN HA H 117 4.914 4.751 0.163 1
1 1145 . 4 1 1 A 87 87 ASN C C 117 175.798 175.636 0.162 1
1 1146 . 4 1 1 A 87 87 ASN CA C 117 52.062 54.864 -2.802 1
1 1147 . 4 1 1 A 87 87 ASN CB C 117 40.563 38.653 1.910 1
1 1149 . 4 1 1 A 87 87 ASN N N 117 118.907 122.675 -3.768 1
1 1151 . 4 1 1 A 88 88 GLU H H 118 8.362 7.647 0.715 1
1 1152 . 4 1 1 A 88 88 GLU HA H 118 4.116 4.346 -0.230 1
1 1157 . 4 1 1 A 88 88 GLU C C 118 175.935 175.296 0.639 1
1 1158 . 4 1 1 A 88 88 GLU CA C 118 55.589 55.190 0.399 1
1 1159 . 4 1 1 A 88 88 GLU CB C 118 29.435 27.443 1.992 1
1 1161 . 4 1 1 A 88 88 GLU N N 118 119.547 117.442 2.105 1
1 1162 . 4 1 1 A 89 89 TYR H H 119 7.918 8.614 -0.696 1
1 1163 . 4 1 1 A 89 89 TYR HA H 119 4.639 4.334 0.305 1
1 1170 . 4 1 1 A 89 89 TYR C C 119 175.750 175.041 0.709 1
1 1171 . 4 1 1 A 89 89 TYR CA C 119 59.270 59.082 0.188 1
1 1172 . 4 1 1 A 89 89 TYR CB C 119 38.274 35.851 2.423 1
1 1175 . 4 1 1 A 89 89 TYR N N 119 118.293 118.927 -0.634 1
1 1176 . 4 1 1 A 90 90 ALA H H 120 8.285 8.370 -0.085 1
1 1177 . 4 1 1 A 90 90 ALA HA H 120 4.273 4.007 0.266 1
1 1181 . 4 1 1 A 90 90 ALA C C 120 175.773 175.870 -0.097 1
1 1182 . 4 1 1 A 90 90 ALA CA C 120 52.014 53.259 -1.245 1
1 1183 . 4 1 1 A 90 90 ALA CB C 120 19.920 17.384 2.536 1
1 1184 . 4 1 1 A 90 90 ALA N N 120 126.212 115.798 10.414 1
1 11 . 5 1 1 A 2 2 SER HA H 32 4.469 4.634 -0.165 1
1 14 . 5 1 1 A 2 2 SER C C 32 174.865 173.965 0.900 1
1 15 . 5 1 1 A 2 2 SER CA C 32 58.680 59.642 -0.962 1
1 16 . 5 1 1 A 2 2 SER CB C 32 63.805 64.836 -1.031 1
1 17 . 5 1 1 A 3 3 GLY H H 33 8.513 7.423 1.090 1
1 18 . 5 1 1 A 3 3 GLY HA2 H 33 3.972 4.068 -0.096 1
1 19 . 5 1 1 A 3 3 GLY HA3 H 33 3.972 4.069 -0.097 1
1 20 . 5 1 1 A 3 3 GLY C C 33 173.735 172.183 1.552 1
1 21 . 5 1 1 A 3 3 GLY CA C 33 45.132 44.953 0.179 1
1 22 . 5 1 1 A 3 3 GLY N N 33 110.526 105.807 4.719 1
1 23 . 5 1 1 A 4 4 LEU H H 34 8.145 8.385 -0.240 1
1 24 . 5 1 1 A 4 4 LEU HA H 34 4.599 4.613 -0.014 1
1 34 . 5 1 1 A 4 4 LEU C C 34 175.201 174.686 0.515 1
1 35 . 5 1 1 A 4 4 LEU CA C 34 53.002 53.136 -0.134 1
1 36 . 5 1 1 A 4 4 LEU CB C 34 41.772 41.189 0.583 1
1 40 . 5 1 1 A 4 4 LEU N N 34 122.423 122.166 0.257 1
1 41 . 5 1 1 A 5 5 PRO HA H 35 4.551 4.691 -0.140 1
1 48 . 5 1 1 A 5 5 PRO C C 35 176.487 175.969 0.518 1
1 49 . 5 1 1 A 5 5 PRO CA C 35 62.771 62.664 0.107 1
1 50 . 5 1 1 A 5 5 PRO CB C 35 32.488 32.573 -0.085 1
1 53 . 5 1 1 A 6 6 THR H H 36 8.447 8.547 -0.100 1
1 54 . 5 1 1 A 6 6 THR HA H 36 4.445 4.489 -0.044 1
1 59 . 5 1 1 A 6 6 THR C C 36 174.231 172.551 1.680 1
1 60 . 5 1 1 A 6 6 THR CA C 36 61.727 60.988 0.739 1
1 61 . 5 1 1 A 6 6 THR CB C 36 69.213 69.455 -0.242 1
1 63 . 5 1 1 A 6 6 THR N N 36 111.916 117.337 -5.421 1
1 64 . 5 1 1 A 7 7 THR H H 37 7.303 7.776 -0.473 1
1 65 . 5 1 1 A 7 7 THR HA H 37 5.232 5.161 0.071 1
1 70 . 5 1 1 A 7 7 THR C C 37 175.848 174.764 1.084 1
1 71 . 5 1 1 A 7 7 THR CA C 37 58.599 59.227 -0.628 1
1 72 . 5 1 1 A 7 7 THR CB C 37 71.971 72.215 -0.244 1
1 74 . 5 1 1 A 7 7 THR N N 37 110.288 113.906 -3.618 1
1 75 . 5 1 1 A 8 8 LEU H H 38 9.065 8.795 0.270 1
1 76 . 5 1 1 A 8 8 LEU HA H 38 3.829 3.905 -0.076 1
1 86 . 5 1 1 A 8 8 LEU C C 38 177.964 179.389 -1.425 1
1 87 . 5 1 1 A 8 8 LEU CA C 38 57.613 57.812 -0.199 1
1 88 . 5 1 1 A 8 8 LEU CB C 38 41.058 41.359 -0.301 1
1 92 . 5 1 1 A 8 8 LEU N N 38 122.441 122.544 -0.103 1
1 93 . 5 1 1 A 9 9 GLY H H 39 8.753 8.137 0.616 1
1 94 . 5 1 1 A 9 9 GLY HA2 H 39 3.969 3.804 0.165 1
1 95 . 5 1 1 A 9 9 GLY HA3 H 39 3.769 3.809 -0.040 1
1 96 . 5 1 1 A 9 9 GLY C C 39 176.615 176.354 0.261 1
1 97 . 5 1 1 A 9 9 GLY CA C 39 47.314 47.024 0.290 1
1 98 . 5 1 1 A 9 9 GLY N N 39 104.356 106.289 -1.933 1
1 99 . 5 1 1 A 10 10 LYS H H 40 7.341 7.487 -0.146 1
1 100 . 5 1 1 A 10 10 LYS HA H 40 4.241 4.276 -0.035 1
1 109 . 5 1 1 A 10 10 LYS C C 40 179.292 179.338 -0.046 1
1 110 . 5 1 1 A 10 10 LYS CA C 40 58.108 58.785 -0.677 1
1 111 . 5 1 1 A 10 10 LYS CB C 40 32.346 33.425 -1.079 1
1 115 . 5 1 1 A 10 10 LYS N N 40 120.741 122.430 -1.689 1
1 116 . 5 1 1 A 11 11 LEU H H 41 8.033 8.276 -0.243 1
1 117 . 5 1 1 A 11 11 LEU HA H 41 4.059 4.109 -0.050 1
1 127 . 5 1 1 A 11 11 LEU C C 41 177.253 177.988 -0.735 1
1 128 . 5 1 1 A 11 11 LEU CA C 41 57.978 57.799 0.179 1
1 129 . 5 1 1 A 11 11 LEU CB C 41 41.760 41.491 0.269 1
1 133 . 5 1 1 A 11 11 LEU N N 41 121.501 121.546 -0.045 1
1 134 . 5 1 1 A 12 12 ASP H H 42 9.025 8.566 0.459 1
1 135 . 5 1 1 A 12 12 ASP HA H 42 4.045 4.329 -0.284 1
1 138 . 5 1 1 A 12 12 ASP C C 42 176.536 178.205 -1.669 1
1 139 . 5 1 1 A 12 12 ASP CA C 42 58.740 57.957 0.783 1
1 140 . 5 1 1 A 12 12 ASP CB C 42 44.783 41.595 3.188 1
1 141 . 5 1 1 A 12 12 ASP N N 42 119.776 119.261 0.515 1
1 142 . 5 1 1 A 13 13 GLU H H 43 7.253 8.433 -1.180 1
1 143 . 5 1 1 A 13 13 GLU HA H 43 3.869 4.078 -0.209 1
1 148 . 5 1 1 A 13 13 GLU C C 43 178.916 179.132 -0.216 1
1 149 . 5 1 1 A 13 13 GLU CA C 43 59.511 59.548 -0.037 1
1 150 . 5 1 1 A 13 13 GLU CB C 43 30.131 29.151 0.980 1
1 152 . 5 1 1 A 13 13 GLU N N 43 116.304 119.137 -2.833 1
1 153 . 5 1 1 A 14 14 ARG H H 44 7.234 8.039 -0.805 1
1 154 . 5 1 1 A 14 14 ARG HA H 44 3.920 4.228 -0.308 1
1 163 . 5 1 1 A 14 14 ARG C C 44 177.609 178.890 -1.281 1
1 164 . 5 1 1 A 14 14 ARG CA C 44 58.607 58.466 0.141 1
1 165 . 5 1 1 A 14 14 ARG CB C 44 30.304 29.803 0.501 1
1 168 . 5 1 1 A 14 14 ARG N N 44 118.267 120.324 -2.057 1
1 171 . 5 1 1 A 15 15 LEU H H 45 8.734 8.784 -0.050 1
1 172 . 5 1 1 A 15 15 LEU HA H 45 3.809 4.427 -0.618 1
1 182 . 5 1 1 A 15 15 LEU C C 45 179.204 179.437 -0.233 1
1 183 . 5 1 1 A 15 15 LEU CA C 45 58.248 57.611 0.637 1
1 184 . 5 1 1 A 15 15 LEU CB C 45 42.076 41.384 0.692 1
1 188 . 5 1 1 A 15 15 LEU N N 45 117.856 119.960 -2.104 1
1 189 . 5 1 1 A 16 16 ARG H H 46 8.280 8.270 0.010 1
1 190 . 5 1 1 A 16 16 ARG HA H 46 3.863 4.143 -0.280 1
1 200 . 5 1 1 A 16 16 ARG C C 46 179.432 179.137 0.295 1
1 201 . 5 1 1 A 16 16 ARG CA C 46 60.779 59.506 1.273 1
1 202 . 5 1 1 A 16 16 ARG CB C 46 29.824 29.995 -0.171 1
1 205 . 5 1 1 A 16 16 ARG N N 46 115.954 119.682 -3.728 1
1 209 . 5 1 1 A 17 17 ASN H H 47 7.433 7.908 -0.475 1
1 210 . 5 1 1 A 17 17 ASN HA H 47 4.458 4.404 0.054 1
1 215 . 5 1 1 A 17 17 ASN C C 47 177.657 177.810 -0.153 1
1 216 . 5 1 1 A 17 17 ASN CA C 47 56.297 56.406 -0.109 1
1 217 . 5 1 1 A 17 17 ASN CB C 47 38.540 38.559 -0.019 1
1 219 . 5 1 1 A 17 17 ASN N N 47 118.514 118.211 0.303 1
1 221 . 5 1 1 A 18 18 TYR H H 48 8.945 8.208 0.737 1
1 222 . 5 1 1 A 18 18 TYR HA H 48 4.184 4.335 -0.151 1
1 229 . 5 1 1 A 18 18 TYR C C 48 177.806 178.181 -0.375 1
1 230 . 5 1 1 A 18 18 TYR CA C 48 58.651 60.708 -2.057 1
1 231 . 5 1 1 A 18 18 TYR CB C 48 36.527 38.123 -1.596 1
1 234 . 5 1 1 A 18 18 TYR N N 48 121.714 119.355 2.359 1
1 235 . 5 1 1 A 19 19 LEU H H 49 8.293 8.009 0.284 1
1 236 . 5 1 1 A 19 19 LEU HA H 49 3.410 3.418 -0.008 1
1 246 . 5 1 1 A 19 19 LEU C C 49 179.153 179.225 -0.072 1
1 247 . 5 1 1 A 19 19 LEU CA C 49 57.822 57.719 0.103 1
1 248 . 5 1 1 A 19 19 LEU CB C 49 41.929 41.067 0.862 1
1 252 . 5 1 1 A 19 19 LEU N N 49 119.284 120.099 -0.815 1
1 253 . 5 1 1 A 20 20 LYS H H 50 7.322 7.608 -0.286 1
1 254 . 5 1 1 A 20 20 LYS HA H 50 3.893 3.894 -0.001 1
1 263 . 5 1 1 A 20 20 LYS C C 50 177.980 179.797 -1.817 1
1 264 . 5 1 1 A 20 20 LYS CA C 50 59.104 60.055 -0.951 1
1 265 . 5 1 1 A 20 20 LYS CB C 50 32.348 32.102 0.246 1
1 269 . 5 1 1 A 20 20 LYS N N 50 117.005 117.847 -0.842 1
1 270 . 5 1 1 A 21 21 LYS H H 51 7.435 8.182 -0.747 1
1 271 . 5 1 1 A 21 21 LYS HA H 51 4.080 4.008 0.072 1
1 280 . 5 1 1 A 21 21 LYS C C 51 178.971 178.278 0.693 1
1 281 . 5 1 1 A 21 21 LYS CA C 51 57.418 59.000 -1.582 1
1 282 . 5 1 1 A 21 21 LYS CB C 51 32.675 32.298 0.377 1
1 286 . 5 1 1 A 21 21 LYS N N 51 115.946 119.424 -3.478 1
1 287 . 5 1 1 A 22 22 GLY H H 52 8.290 7.661 0.629 1
1 288 . 5 1 1 A 22 22 GLY HA2 H 52 3.897 4.069 -0.172 1
1 289 . 5 1 1 A 22 22 GLY HA3 H 52 4.181 4.081 0.100 1
1 290 . 5 1 1 A 22 22 GLY C C 52 173.610 174.084 -0.474 1
1 291 . 5 1 1 A 22 22 GLY CA C 52 45.088 45.991 -0.903 1
1 292 . 5 1 1 A 22 22 GLY N N 52 105.432 107.943 -2.511 1
1 293 . 5 1 1 A 23 23 THR H H 53 7.148 7.959 -0.811 1
1 294 . 5 1 1 A 23 23 THR HA H 53 4.838 4.401 0.437 1
1 300 . 5 1 1 A 23 23 THR C C 53 174.444 175.070 -0.626 1
1 301 . 5 1 1 A 23 23 THR CA C 53 59.766 60.968 -1.202 1
1 302 . 5 1 1 A 23 23 THR CB C 53 72.471 71.228 1.243 1
1 304 . 5 1 1 A 23 23 THR N N 53 107.608 111.943 -4.335 1
1 305 . 5 1 1 A 24 24 LYS H H 54 8.414 8.667 -0.253 1
1 306 . 5 1 1 A 24 24 LYS HA H 54 4.355 4.177 0.178 1
1 315 . 5 1 1 A 24 24 LYS C C 54 177.632 176.857 0.775 1
1 316 . 5 1 1 A 24 24 LYS CA C 54 57.393 58.093 -0.700 1
1 317 . 5 1 1 A 24 24 LYS CB C 54 32.806 32.941 -0.135 1
1 321 . 5 1 1 A 24 24 LYS N N 54 118.924 120.096 -1.172 1
1 322 . 5 1 1 A 25 25 ASN H H 55 7.823 7.903 -0.080 1
1 323 . 5 1 1 A 25 25 ASN HA H 55 4.992 4.919 0.073 1
1 328 . 5 1 1 A 25 25 ASN C C 55 174.882 175.284 -0.402 1
1 329 . 5 1 1 A 25 25 ASN CA C 55 51.540 52.481 -0.941 1
1 330 . 5 1 1 A 25 25 ASN CB C 55 38.209 40.367 -2.158 1
1 332 . 5 1 1 A 25 25 ASN N N 55 116.576 115.785 0.791 1
1 334 . 5 1 1 A 26 26 SER H H 56 8.557 9.017 -0.460 1
1 335 . 5 1 1 A 26 26 SER HA H 56 4.145 4.239 -0.094 1
1 338 . 5 1 1 A 26 26 SER C C 56 176.886 176.372 0.514 1
1 339 . 5 1 1 A 26 26 SER CA C 56 61.051 61.511 -0.460 1
1 340 . 5 1 1 A 26 26 SER CB C 56 62.398 62.769 -0.371 1
1 341 . 5 1 1 A 26 26 SER N N 56 118.968 121.379 -2.411 1
1 342 . 5 1 1 A 27 27 ALA H H 57 8.133 7.951 0.182 1
1 343 . 5 1 1 A 27 27 ALA HA H 57 4.277 4.218 0.059 1
1 347 . 5 1 1 A 27 27 ALA C C 57 177.779 178.477 -0.698 1
1 348 . 5 1 1 A 27 27 ALA CA C 57 54.020 53.930 0.090 1
1 349 . 5 1 1 A 27 27 ALA CB C 57 18.258 18.382 -0.124 1
1 350 . 5 1 1 A 27 27 ALA N N 57 125.334 123.015 2.319 1
1 351 . 5 1 1 A 28 28 GLN H H 58 7.113 8.250 -1.137 1
1 352 . 5 1 1 A 28 28 GLN HA H 58 4.262 4.202 0.060 1
1 359 . 5 1 1 A 28 28 GLN C C 58 174.984 175.655 -0.671 1
1 360 . 5 1 1 A 28 28 GLN CA C 58 56.272 56.692 -0.420 1
1 361 . 5 1 1 A 28 28 GLN CB C 58 28.627 27.684 0.943 1
1 364 . 5 1 1 A 28 28 GLN N N 58 112.472 114.221 -1.749 1
1 366 . 5 1 1 A 29 29 PHE H H 59 7.361 7.632 -0.271 1
1 367 . 5 1 1 A 29 29 PHE HA H 59 4.622 4.840 -0.218 1
1 375 . 5 1 1 A 29 29 PHE C C 59 173.987 175.787 -1.800 1
1 376 . 5 1 1 A 29 29 PHE CA C 59 59.534 58.201 1.333 1
1 377 . 5 1 1 A 29 29 PHE CB C 59 38.939 40.119 -1.180 1
1 381 . 5 1 1 A 29 29 PHE N N 59 118.258 119.980 -1.722 1
1 382 . 5 1 1 A 30 30 GLU H H 60 9.228 9.260 -0.032 1
1 383 . 5 1 1 A 30 30 GLU HA H 60 4.479 4.743 -0.264 1
1 388 . 5 1 1 A 30 30 GLU C C 60 176.282 175.953 0.329 1
1 389 . 5 1 1 A 30 30 GLU CA C 60 57.063 56.673 0.390 1
1 390 . 5 1 1 A 30 30 GLU CB C 60 33.512 31.799 1.713 1
1 392 . 5 1 1 A 30 30 GLU N N 60 125.247 119.631 5.616 1
1 393 . 5 1 1 A 31 31 LYS H H 61 7.998 7.585 0.413 1
1 394 . 5 1 1 A 31 31 LYS HA H 61 5.074 4.742 0.332 1
1 403 . 5 1 1 A 31 31 LYS C C 61 172.325 174.443 -2.118 1
1 404 . 5 1 1 A 31 31 LYS CA C 61 54.881 55.042 -0.161 1
1 405 . 5 1 1 A 31 31 LYS CB C 61 35.683 35.537 0.146 1
1 409 . 5 1 1 A 31 31 LYS N N 61 113.709 117.279 -3.570 1
1 410 . 5 1 1 A 32 32 MET H H 62 9.051 9.069 -0.018 1
1 411 . 5 1 1 A 32 32 MET HA H 62 5.630 5.501 0.129 1
1 419 . 5 1 1 A 32 32 MET C C 62 172.898 173.805 -0.907 1
1 420 . 5 1 1 A 32 32 MET CA C 62 53.043 53.304 -0.261 1
1 421 . 5 1 1 A 32 32 MET CB C 62 35.214 35.633 -0.419 1
1 424 . 5 1 1 A 32 32 MET N N 62 118.635 116.916 1.719 1
1 425 . 5 1 1 A 33 33 VAL H H 63 9.186 9.027 0.159 1
1 426 . 5 1 1 A 33 33 VAL HA H 63 4.700 4.996 -0.296 1
1 434 . 5 1 1 A 33 33 VAL C C 63 174.133 174.712 -0.579 1
1 435 . 5 1 1 A 33 33 VAL CA C 63 61.351 60.616 0.735 1
1 436 . 5 1 1 A 33 33 VAL CB C 63 34.651 35.930 -1.279 1
1 439 . 5 1 1 A 33 33 VAL N N 63 122.441 119.123 3.318 1
1 440 . 5 1 1 A 34 34 ILE H H 64 9.244 9.036 0.208 1
1 441 . 5 1 1 A 34 34 ILE HA H 64 4.302 4.963 -0.661 1
1 451 . 5 1 1 A 34 34 ILE C C 64 174.924 174.581 0.343 1
1 452 . 5 1 1 A 34 34 ILE CA C 64 60.422 59.476 0.946 1
1 453 . 5 1 1 A 34 34 ILE CB C 64 41.255 41.033 0.222 1
1 457 . 5 1 1 A 34 34 ILE N N 64 127.876 127.011 0.865 1
1 458 . 5 1 1 A 35 35 LEU H H 65 9.117 9.220 -0.103 1
1 459 . 5 1 1 A 35 35 LEU HA H 65 5.531 5.419 0.112 1
1 469 . 5 1 1 A 35 35 LEU C C 65 178.538 176.530 2.008 1
1 470 . 5 1 1 A 35 35 LEU CA C 65 53.047 53.248 -0.201 1
1 471 . 5 1 1 A 35 35 LEU CB C 65 43.797 43.606 0.191 1
1 475 . 5 1 1 A 35 35 LEU N N 65 125.572 127.191 -1.619 1
1 476 . 5 1 1 A 36 36 THR H H 66 8.634 8.642 -0.008 1
1 477 . 5 1 1 A 36 36 THR HA H 66 5.212 5.319 -0.107 1
1 482 . 5 1 1 A 36 36 THR C C 66 174.918 174.834 0.084 1
1 483 . 5 1 1 A 36 36 THR CA C 66 59.374 59.853 -0.479 1
1 484 . 5 1 1 A 36 36 THR CB C 66 72.100 71.501 0.599 1
1 486 . 5 1 1 A 36 36 THR N N 66 112.840 115.539 -2.699 1
1 487 . 5 1 1 A 37 37 GLU H H 67 8.580 8.465 0.115 1
1 488 . 5 1 1 A 37 37 GLU HA H 67 4.469 4.240 0.229 1
1 493 . 5 1 1 A 37 37 GLU C C 67 177.333 176.952 0.381 1
1 494 . 5 1 1 A 37 37 GLU CA C 67 57.348 56.213 1.135 1
1 495 . 5 1 1 A 37 37 GLU CB C 67 31.357 30.725 0.632 1
1 497 . 5 1 1 A 37 37 GLU N N 67 118.675 121.558 -2.883 1
1 498 . 5 1 1 A 38 38 ASN H H 68 8.580 9.303 -0.723 1
1 499 . 5 1 1 A 38 38 ASN HA H 68 3.768 4.526 -0.758 1
1 504 . 5 1 1 A 38 38 ASN C C 68 172.921 174.637 -1.716 1
1 505 . 5 1 1 A 38 38 ASN CA C 68 54.686 54.601 0.085 1
1 506 . 5 1 1 A 38 38 ASN CB C 68 36.511 37.130 -0.619 1
1 508 . 5 1 1 A 38 38 ASN N N 68 114.341 116.447 -2.106 1
1 510 . 5 1 1 A 39 39 LYS H H 69 7.891 8.685 -0.794 1
1 511 . 5 1 1 A 39 39 LYS HA H 69 3.936 3.854 0.082 1
1 520 . 5 1 1 A 39 39 LYS C C 69 177.032 176.228 0.804 1
1 521 . 5 1 1 A 39 39 LYS CA C 69 56.758 57.513 -0.755 1
1 522 . 5 1 1 A 39 39 LYS CB C 69 28.099 29.537 -1.438 1
1 526 . 5 1 1 A 39 39 LYS N N 69 107.932 109.907 -1.975 1
1 527 . 5 1 1 A 40 40 GLY H H 70 6.998 7.855 -0.857 1
1 528 . 5 1 1 A 40 40 GLY HA2 H 70 4.362 3.946 0.416 1
1 529 . 5 1 1 A 40 40 GLY HA3 H 70 3.875 4.077 -0.202 1
1 530 . 5 1 1 A 40 40 GLY C C 70 173.763 171.631 2.132 1
1 531 . 5 1 1 A 40 40 GLY CA C 70 46.628 45.188 1.440 1
1 532 . 5 1 1 A 40 40 GLY N N 70 107.011 107.264 -0.253 1
1 533 . 5 1 1 A 41 41 TYR H H 71 7.679 8.550 -0.871 1
1 534 . 5 1 1 A 41 41 TYR HA H 71 5.097 5.351 -0.254 1
1 541 . 5 1 1 A 41 41 TYR C C 71 174.452 172.579 1.873 1
1 542 . 5 1 1 A 41 41 TYR CA C 71 57.730 56.689 1.041 1
1 543 . 5 1 1 A 41 41 TYR CB C 71 40.474 41.933 -1.459 1
1 546 . 5 1 1 A 41 41 TYR N N 71 129.822 122.490 7.332 1
1 547 . 5 1 1 A 42 42 TYR H H 72 9.101 8.430 0.671 1
1 548 . 5 1 1 A 42 42 TYR HA H 72 4.875 4.813 0.062 1
1 555 . 5 1 1 A 42 42 TYR C C 72 174.448 174.021 0.427 1
1 556 . 5 1 1 A 42 42 TYR CA C 72 56.114 56.387 -0.273 1
1 557 . 5 1 1 A 42 42 TYR CB C 72 41.115 42.750 -1.635 1
1 560 . 5 1 1 A 42 42 TYR N N 72 126.527 125.345 1.182 1
1 561 . 5 1 1 A 43 43 THR H H 73 9.022 8.873 0.149 1
1 562 . 5 1 1 A 43 43 THR HA H 73 4.876 5.164 -0.288 1
1 567 . 5 1 1 A 43 43 THR C C 73 174.791 172.999 1.792 1
1 568 . 5 1 1 A 43 43 THR CA C 73 62.821 59.408 3.413 1
1 569 . 5 1 1 A 43 43 THR CB C 73 68.769 71.128 -2.359 1
1 571 . 5 1 1 A 43 43 THR N N 73 120.810 116.627 4.183 1
1 572 . 5 1 1 A 44 44 VAL H H 74 9.233 9.008 0.225 1
1 573 . 5 1 1 A 44 44 VAL HA H 74 4.427 4.531 -0.104 1
1 581 . 5 1 1 A 44 44 VAL C C 74 175.094 174.596 0.498 1
1 582 . 5 1 1 A 44 44 VAL CA C 74 61.457 61.364 0.093 1
1 583 . 5 1 1 A 44 44 VAL CB C 74 35.669 34.578 1.091 1
1 586 . 5 1 1 A 44 44 VAL N N 74 129.156 126.865 2.291 1
1 587 . 5 1 1 A 45 45 TYR H H 75 9.384 9.084 0.300 1
1 588 . 5 1 1 A 45 45 TYR HA H 75 4.528 4.738 -0.210 1
1 595 . 5 1 1 A 45 45 TYR C C 75 176.497 175.997 0.500 1
1 596 . 5 1 1 A 45 45 TYR CA C 75 59.843 58.060 1.783 1
1 597 . 5 1 1 A 45 45 TYR CB C 75 38.245 38.522 -0.277 1
1 600 . 5 1 1 A 45 45 TYR N N 75 128.465 127.138 1.327 1
1 601 . 5 1 1 A 46 46 LEU H H 76 8.524 8.850 -0.326 1
1 602 . 5 1 1 A 46 46 LEU HA H 76 4.528 4.200 0.328 1
1 612 . 5 1 1 A 46 46 LEU C C 76 177.001 178.728 -1.727 1
1 613 . 5 1 1 A 46 46 LEU CA C 76 55.010 57.337 -2.327 1
1 614 . 5 1 1 A 46 46 LEU CB C 76 42.094 41.629 0.465 1
1 618 . 5 1 1 A 46 46 LEU N N 76 119.547 125.855 -6.308 1
1 619 . 5 1 1 A 47 47 ASN H H 77 8.599 8.067 0.532 1
1 620 . 5 1 1 A 47 47 ASN HA H 77 4.618 4.679 -0.061 1
1 625 . 5 1 1 A 47 47 ASN C C 77 173.844 175.074 -1.230 1
1 626 . 5 1 1 A 47 47 ASN CA C 77 54.045 54.391 -0.346 1
1 627 . 5 1 1 A 47 47 ASN CB C 77 37.058 38.241 -1.183 1
1 629 . 5 1 1 A 47 47 ASN N N 77 116.407 115.484 0.923 1
1 631 . 5 1 1 A 48 48 THR H H 78 7.429 7.543 -0.114 1
1 632 . 5 1 1 A 48 48 THR HA H 78 4.803 4.955 -0.152 1
1 637 . 5 1 1 A 48 48 THR C C 78 175.201 172.170 3.031 1
1 638 . 5 1 1 A 48 48 THR CA C 78 58.577 58.596 -0.019 1
1 639 . 5 1 1 A 48 48 THR CB C 78 70.494 70.688 -0.194 1
1 641 . 5 1 1 A 48 48 THR N N 78 111.551 110.284 1.267 1
1 642 . 5 1 1 A 49 49 PRO HA H 79 4.462 4.580 -0.118 1
1 649 . 5 1 1 A 49 49 PRO C C 79 176.670 176.608 0.062 1
1 650 . 5 1 1 A 49 49 PRO CA C 79 62.384 62.756 -0.372 1
1 651 . 5 1 1 A 49 49 PRO CB C 79 32.205 32.133 0.072 1
1 654 . 5 1 1 A 50 50 LEU H H 80 9.049 8.365 0.684 1
1 655 . 5 1 1 A 50 50 LEU HA H 80 4.081 4.385 -0.304 1
1 665 . 5 1 1 A 50 50 LEU C C 80 176.758 175.608 1.150 1
1 666 . 5 1 1 A 50 50 LEU CA C 80 55.315 55.967 -0.652 1
1 667 . 5 1 1 A 50 50 LEU CB C 80 41.915 42.315 -0.400 1
1 671 . 5 1 1 A 50 50 LEU N N 80 126.341 124.126 2.215 1
1 672 . 5 1 1 A 51 51 ALA H H 81 8.415 8.060 0.355 1
1 673 . 5 1 1 A 51 51 ALA HA H 81 4.187 4.689 -0.502 1
1 677 . 5 1 1 A 51 51 ALA C C 81 179.005 178.082 0.923 1
1 678 . 5 1 1 A 51 51 ALA CA C 81 52.851 49.981 2.870 1
1 679 . 5 1 1 A 51 51 ALA CB C 81 19.625 22.230 -2.605 1
1 680 . 5 1 1 A 51 51 ALA N N 81 129.745 128.634 1.111 1
1 681 . 5 1 1 A 52 52 GLU H H 82 8.739 9.173 -0.434 1
1 682 . 5 1 1 A 52 52 GLU HA H 82 3.815 4.110 -0.295 1
1 687 . 5 1 1 A 52 52 GLU C C 82 178.591 178.157 0.434 1
1 688 . 5 1 1 A 52 52 GLU CA C 82 59.566 59.236 0.330 1
1 689 . 5 1 1 A 52 52 GLU CB C 82 29.774 28.899 0.875 1
1 691 . 5 1 1 A 52 52 GLU N N 82 121.424 117.035 4.389 1
1 692 . 5 1 1 A 53 53 ASP H H 83 8.511 8.202 0.309 1
1 693 . 5 1 1 A 53 53 ASP HA H 83 4.427 4.440 -0.013 1
1 696 . 5 1 1 A 53 53 ASP C C 83 177.306 177.959 -0.653 1
1 697 . 5 1 1 A 53 53 ASP CA C 83 55.398 56.566 -1.168 1
1 698 . 5 1 1 A 53 53 ASP CB C 83 39.430 40.397 -0.967 1
1 699 . 5 1 1 A 53 53 ASP N N 83 114.043 120.063 -6.020 1
1 700 . 5 1 1 A 54 54 ARG H H 84 7.800 7.845 -0.045 1
1 701 . 5 1 1 A 54 54 ARG HA H 84 4.527 4.234 0.293 1
1 710 . 5 1 1 A 54 54 ARG C C 84 176.966 178.505 -1.539 1
1 711 . 5 1 1 A 54 54 ARG CA C 84 55.915 57.411 -1.496 1
1 712 . 5 1 1 A 54 54 ARG CB C 84 31.804 30.368 1.436 1
1 715 . 5 1 1 A 54 54 ARG N N 84 118.147 119.113 -0.966 1
1 718 . 5 1 1 A 55 55 LYS H H 85 7.335 7.872 -0.537 1
1 719 . 5 1 1 A 55 55 LYS HA H 85 3.551 4.123 -0.572 1
1 728 . 5 1 1 A 55 55 LYS C C 85 178.113 177.412 0.701 1
1 729 . 5 1 1 A 55 55 LYS CA C 85 59.887 58.530 1.357 1
1 730 . 5 1 1 A 55 55 LYS CB C 85 32.935 32.237 0.698 1
1 734 . 5 1 1 A 55 55 LYS N N 85 116.576 119.021 -2.445 1
1 735 . 5 1 1 A 56 56 ASN H H 86 8.347 7.392 0.955 1
1 736 . 5 1 1 A 56 56 ASN HA H 86 4.886 4.948 -0.062 1
1 741 . 5 1 1 A 56 56 ASN C C 86 174.736 174.819 -0.083 1
1 742 . 5 1 1 A 56 56 ASN CA C 86 52.265 52.867 -0.602 1
1 743 . 5 1 1 A 56 56 ASN CB C 86 38.239 40.044 -1.805 1
1 745 . 5 1 1 A 56 56 ASN N N 86 114.341 115.252 -0.911 1
1 747 . 5 1 1 A 57 57 VAL H H 87 6.985 7.443 -0.458 1
1 748 . 5 1 1 A 57 57 VAL HA H 87 3.746 4.014 -0.268 1
1 756 . 5 1 1 A 57 57 VAL C C 87 175.380 175.424 -0.044 1
1 757 . 5 1 1 A 57 57 VAL CA C 87 63.723 62.554 1.169 1
1 758 . 5 1 1 A 57 57 VAL CB C 87 32.650 32.805 -0.155 1
1 761 . 5 1 1 A 57 57 VAL N N 87 121.424 121.814 -0.390 1
1 762 . 5 1 1 A 58 58 GLU H H 88 8.777 8.500 0.277 1
1 763 . 5 1 1 A 58 58 GLU HA H 88 4.339 4.837 -0.498 1
1 768 . 5 1 1 A 58 58 GLU C C 88 176.364 176.192 0.172 1
1 769 . 5 1 1 A 58 58 GLU CA C 88 56.085 54.632 1.453 1
1 770 . 5 1 1 A 58 58 GLU CB C 88 29.861 32.193 -2.332 1
1 772 . 5 1 1 A 58 58 GLU N N 88 129.489 127.316 2.173 1
1 773 . 5 1 1 A 59 59 LEU H H 89 8.230 8.893 -0.663 1
1 774 . 5 1 1 A 59 59 LEU HA H 89 4.299 4.221 0.078 1
1 784 . 5 1 1 A 59 59 LEU C C 89 178.976 178.402 0.574 1
1 785 . 5 1 1 A 59 59 LEU CA C 89 54.651 54.357 0.294 1
1 786 . 5 1 1 A 59 59 LEU CB C 89 42.596 42.026 0.570 1
1 790 . 5 1 1 A 59 59 LEU N N 89 124.395 125.257 -0.862 1
1 791 . 5 1 1 A 60 60 LEU H H 90 7.777 9.095 -1.318 1
1 792 . 5 1 1 A 60 60 LEU HA H 90 4.135 4.294 -0.159 1
1 802 . 5 1 1 A 60 60 LEU C C 90 176.394 176.896 -0.502 1
1 803 . 5 1 1 A 60 60 LEU CA C 90 56.754 56.863 -0.109 1
1 804 . 5 1 1 A 60 60 LEU CB C 90 42.413 43.261 -0.848 1
1 808 . 5 1 1 A 60 60 LEU N N 90 119.734 123.534 -3.800 1
1 809 . 5 1 1 A 61 61 GLY H H 91 7.224 7.564 -0.340 1
1 810 . 5 1 1 A 61 61 GLY HA2 H 91 4.165 4.088 0.077 1
1 811 . 5 1 1 A 61 61 GLY HA3 H 91 3.899 4.115 -0.216 1
1 812 . 5 1 1 A 61 61 GLY C C 91 171.742 172.581 -0.839 1
1 813 . 5 1 1 A 61 61 GLY CA C 91 44.969 45.642 -0.673 1
1 814 . 5 1 1 A 61 61 GLY N N 91 103.707 104.474 -0.767 1
1 815 . 5 1 1 A 62 62 LYS H H 92 8.771 8.667 0.104 1
1 816 . 5 1 1 A 62 62 LYS HA H 92 4.150 4.407 -0.257 1
1 825 . 5 1 1 A 62 62 LYS C C 92 177.522 176.014 1.508 1
1 826 . 5 1 1 A 62 62 LYS CA C 92 56.750 56.134 0.616 1
1 827 . 5 1 1 A 62 62 LYS CB C 92 33.835 33.306 0.529 1
1 831 . 5 1 1 A 62 62 LYS N N 92 118.635 120.975 -2.340 1
1 832 . 5 1 1 A 63 63 MET H H 93 9.188 8.364 0.824 1
1 833 . 5 1 1 A 63 63 MET HA H 93 3.835 4.520 -0.685 1
1 841 . 5 1 1 A 63 63 MET C C 93 173.913 175.700 -1.787 1
1 842 . 5 1 1 A 63 63 MET CA C 93 59.275 53.966 5.309 1
1 843 . 5 1 1 A 63 63 MET CB C 93 31.483 31.027 0.456 1
1 846 . 5 1 1 A 63 63 MET N N 93 123.413 124.317 -0.904 1
1 847 . 5 1 1 A 64 64 TYR H H 94 9.421 8.558 0.863 1
1 848 . 5 1 1 A 64 64 TYR HA H 94 4.767 4.263 0.504 1
1 855 . 5 1 1 A 64 64 TYR C C 94 173.918 175.061 -1.143 1
1 856 . 5 1 1 A 64 64 TYR CA C 94 56.933 61.469 -4.536 1
1 857 . 5 1 1 A 64 64 TYR CB C 94 40.020 39.000 1.020 1
1 860 . 5 1 1 A 64 64 TYR N N 94 129.403 125.787 3.616 1
1 861 . 5 1 1 A 65 65 LYS H H 95 7.289 7.509 -0.220 1
1 862 . 5 1 1 A 65 65 LYS HA H 95 4.688 4.671 0.017 1
1 871 . 5 1 1 A 65 65 LYS C C 95 175.000 174.650 0.350 1
1 872 . 5 1 1 A 65 65 LYS CA C 95 55.841 54.758 1.083 1
1 873 . 5 1 1 A 65 65 LYS CB C 95 40.404 37.201 3.203 1
1 877 . 5 1 1 A 65 65 LYS N N 95 118.804 116.968 1.836 1
1 878 . 5 1 1 A 66 66 THR H H 96 8.727 7.926 0.801 1
1 879 . 5 1 1 A 66 66 THR HA H 96 5.149 4.979 0.170 1
1 885 . 5 1 1 A 66 66 THR C C 96 172.120 172.489 -0.369 1
1 886 . 5 1 1 A 66 66 THR CA C 96 62.226 60.527 1.699 1
1 887 . 5 1 1 A 66 66 THR CB C 96 71.787 71.911 -0.124 1
1 889 . 5 1 1 A 66 66 THR N N 96 116.235 115.395 0.840 1
1 890 . 5 1 1 A 67 67 TYR H H 97 8.969 9.081 -0.112 1
1 891 . 5 1 1 A 67 67 TYR HA H 97 5.027 5.235 -0.208 1
1 898 . 5 1 1 A 67 67 TYR C C 97 175.077 174.903 0.174 1
1 899 . 5 1 1 A 67 67 TYR CA C 97 57.278 56.648 0.630 1
1 900 . 5 1 1 A 67 67 TYR CB C 97 42.054 42.391 -0.337 1
1 903 . 5 1 1 A 67 67 TYR N N 97 125.256 123.697 1.559 1
1 904 . 5 1 1 A 68 68 PHE H H 98 9.189 9.082 0.107 1
1 905 . 5 1 1 A 68 68 PHE HA H 98 5.177 5.098 0.079 1
1 913 . 5 1 1 A 68 68 PHE C C 98 174.791 174.884 -0.093 1
1 914 . 5 1 1 A 68 68 PHE CA C 98 57.825 56.404 1.421 1
1 915 . 5 1 1 A 68 68 PHE CB C 98 42.377 42.796 -0.419 1
1 919 . 5 1 1 A 68 68 PHE N N 98 118.574 120.891 -2.317 1
1 920 . 5 1 1 A 69 69 PHE H H 99 8.976 9.673 -0.697 1
1 921 . 5 1 1 A 69 69 PHE HA H 99 4.893 5.157 -0.264 1
1 929 . 5 1 1 A 69 69 PHE C C 99 176.386 175.376 1.010 1
1 930 . 5 1 1 A 69 69 PHE CA C 99 56.777 56.363 0.414 1
1 931 . 5 1 1 A 69 69 PHE CB C 99 41.371 42.118 -0.747 1
1 935 . 5 1 1 A 69 69 PHE N N 99 119.573 121.463 -1.890 1
1 936 . 5 1 1 A 70 70 LYS H H 100 9.479 8.645 0.834 1
1 937 . 5 1 1 A 70 70 LYS HA H 100 4.533 4.487 0.046 1
1 946 . 5 1 1 A 70 70 LYS C C 100 176.156 176.871 -0.715 1
1 947 . 5 1 1 A 70 70 LYS CA C 100 56.706 55.829 0.877 1
1 948 . 5 1 1 A 70 70 LYS CB C 100 33.667 33.016 0.651 1
1 952 . 5 1 1 A 70 70 LYS N N 100 125.614 123.349 2.265 1
1 953 . 5 1 1 A 71 71 LYS H H 101 8.068 8.718 -0.650 1
1 954 . 5 1 1 A 71 71 LYS HA H 101 4.188 3.866 0.322 1
1 963 . 5 1 1 A 71 71 LYS C C 101 177.655 177.518 0.137 1
1 964 . 5 1 1 A 71 71 LYS CA C 101 58.238 58.745 -0.507 1
1 965 . 5 1 1 A 71 71 LYS CB C 101 32.342 32.258 0.084 1
1 969 . 5 1 1 A 71 71 LYS N N 101 121.057 121.496 -0.439 1
1 970 . 5 1 1 A 72 72 GLY H H 102 8.899 9.115 -0.216 1
1 971 . 5 1 1 A 72 72 GLY HA2 H 102 4.196 3.918 0.278 1
1 972 . 5 1 1 A 72 72 GLY HA3 H 102 3.815 3.930 -0.115 1
1 973 . 5 1 1 A 72 72 GLY C C 102 173.997 173.712 0.285 1
1 974 . 5 1 1 A 72 72 GLY CA C 102 45.802 45.887 -0.085 1
1 975 . 5 1 1 A 72 72 GLY N N 102 114.112 112.602 1.510 1
1 976 . 5 1 1 A 73 73 GLU H H 103 8.047 7.910 0.137 1
1 977 . 5 1 1 A 73 73 GLU HA H 103 4.764 4.939 -0.175 1
1 982 . 5 1 1 A 73 73 GLU C C 103 175.975 175.443 0.532 1
1 983 . 5 1 1 A 73 73 GLU CA C 103 56.295 54.419 1.876 1
1 984 . 5 1 1 A 73 73 GLU CB C 103 31.153 33.211 -2.058 1
1 986 . 5 1 1 A 73 73 GLU N N 103 119.538 120.192 -0.654 1
1 987 . 5 1 1 A 74 74 SER H H 104 8.742 8.667 0.075 1
1 988 . 5 1 1 A 74 74 SER HA H 104 4.598 4.907 -0.309 1
1 991 . 5 1 1 A 74 74 SER C C 104 171.916 173.969 -2.053 1
1 992 . 5 1 1 A 74 74 SER CA C 104 58.363 57.112 1.251 1
1 993 . 5 1 1 A 74 74 SER CB C 104 64.025 64.583 -0.558 1
1 994 . 5 1 1 A 74 74 SER N N 104 115.383 114.076 1.307 1
1 995 . 5 1 1 A 75 75 LYS H H 105 7.608 7.564 0.044 1
1 996 . 5 1 1 A 75 75 LYS HA H 105 5.588 5.187 0.401 1
1 1005 . 5 1 1 A 75 75 LYS C C 105 176.017 175.321 0.696 1
1 1006 . 5 1 1 A 75 75 LYS CA C 105 54.548 54.739 -0.191 1
1 1007 . 5 1 1 A 75 75 LYS CB C 105 35.211 36.107 -0.896 1
1 1011 . 5 1 1 A 75 75 LYS N N 105 121.040 123.422 -2.382 1
1 1012 . 5 1 1 A 76 76 SER H H 106 8.231 9.083 -0.852 1
1 1013 . 5 1 1 A 76 76 SER HA H 106 3.377 4.065 -0.688 1
1 1016 . 5 1 1 A 76 76 SER C C 106 172.571 174.074 -1.503 1
1 1017 . 5 1 1 A 76 76 SER CA C 106 59.650 57.572 2.078 1
1 1018 . 5 1 1 A 76 76 SER CB C 106 64.857 64.424 0.433 1
1 1019 . 5 1 1 A 76 76 SER N N 106 121.783 118.343 3.440 1
1 1020 . 5 1 1 A 77 77 SER H H 107 8.333 9.175 -0.842 1
1 1021 . 5 1 1 A 77 77 SER HA H 107 5.025 4.689 0.336 1
1 1024 . 5 1 1 A 77 77 SER C C 107 174.507 173.491 1.016 1
1 1025 . 5 1 1 A 77 77 SER CA C 107 57.561 58.594 -1.033 1
1 1026 . 5 1 1 A 77 77 SER CB C 107 65.330 65.986 -0.656 1
1 1027 . 5 1 1 A 77 77 SER N N 107 106.276 116.664 -10.388 1
1 1028 . 5 1 1 A 78 78 TYR H H 108 7.825 7.362 0.463 1
1 1029 . 5 1 1 A 78 78 TYR HA H 108 4.754 4.824 -0.070 1
1 1036 . 5 1 1 A 78 78 TYR C C 108 171.725 173.645 -1.920 1
1 1037 . 5 1 1 A 78 78 TYR CA C 108 57.778 56.581 1.197 1
1 1038 . 5 1 1 A 78 78 TYR CB C 108 43.223 41.779 1.444 1
1 1041 . 5 1 1 A 78 78 TYR N N 108 126.289 120.025 6.264 1
1 1042 . 5 1 1 A 79 79 VAL H H 109 7.760 8.290 -0.530 1
1 1043 . 5 1 1 A 79 79 VAL HA H 109 5.215 5.098 0.117 1
1 1051 . 5 1 1 A 79 79 VAL C C 109 172.526 174.293 -1.767 1
1 1052 . 5 1 1 A 79 79 VAL CA C 109 59.193 59.548 -0.355 1
1 1053 . 5 1 1 A 79 79 VAL CB C 109 36.173 35.910 0.263 1
1 1056 . 5 1 1 A 79 79 VAL N N 109 127.825 121.090 6.735 1
1 1057 . 5 1 1 A 80 80 ILE H H 110 8.616 8.378 0.238 1
1 1058 . 5 1 1 A 80 80 ILE HA H 110 4.011 4.496 -0.485 1
1 1068 . 5 1 1 A 80 80 ILE C C 110 174.690 174.241 0.449 1
1 1069 . 5 1 1 A 80 80 ILE CA C 110 60.922 59.861 1.061 1
1 1070 . 5 1 1 A 80 80 ILE CB C 110 42.047 42.078 -0.031 1
1 1074 . 5 1 1 A 80 80 ILE N N 110 124.001 122.143 1.858 1
1 1075 . 5 1 1 A 81 81 ASN H H 111 8.937 8.543 0.394 1
1 1076 . 5 1 1 A 81 81 ASN HA H 111 4.760 5.399 -0.639 1
1 1081 . 5 1 1 A 81 81 ASN C C 111 175.326 175.366 -0.040 1
1 1082 . 5 1 1 A 81 81 ASN CA C 111 53.600 51.328 2.272 1
1 1083 . 5 1 1 A 81 81 ASN CB C 111 40.412 40.848 -0.436 1
1 1085 . 5 1 1 A 81 81 ASN N N 111 126.229 123.615 2.614 1
1 1087 . 5 1 1 A 82 82 GLY H H 112 7.984 8.422 -0.438 1
1 1088 . 5 1 1 A 82 82 GLY HA2 H 112 4.457 4.214 0.243 1
1 1089 . 5 1 1 A 82 82 GLY HA3 H 112 3.847 4.245 -0.398 1
1 1090 . 5 1 1 A 82 82 GLY C C 112 171.875 172.466 -0.591 1
1 1091 . 5 1 1 A 82 82 GLY CA C 112 43.303 45.164 -1.861 1
1 1092 . 5 1 1 A 82 82 GLY N N 112 110.894 109.813 1.081 1
1 1093 . 5 1 1 A 83 83 PRO HA H 113 4.609 4.804 -0.195 1
1 1100 . 5 1 1 A 83 83 PRO C C 113 178.327 177.724 0.603 1
1 1101 . 5 1 1 A 83 83 PRO CA C 113 63.342 62.861 0.481 1
1 1102 . 5 1 1 A 83 83 PRO CB C 113 32.232 32.000 0.232 1
1 1105 . 5 1 1 A 84 84 GLY H H 114 8.939 8.871 0.068 1
1 1106 . 5 1 1 A 84 84 GLY HA2 H 114 4.055 4.022 0.033 1
1 1107 . 5 1 1 A 84 84 GLY HA3 H 114 3.192 4.090 -0.898 1
1 1108 . 5 1 1 A 84 84 GLY C C 114 172.587 174.865 -2.278 1
1 1109 . 5 1 1 A 84 84 GLY CA C 114 44.667 45.412 -0.745 1
1 1110 . 5 1 1 A 84 84 GLY N N 114 109.324 111.293 -1.969 1
1 1111 . 5 1 1 A 85 85 LYS H H 115 9.550 8.247 1.303 1
1 1112 . 5 1 1 A 85 85 LYS HA H 115 4.527 4.126 0.401 1
1 1121 . 5 1 1 A 85 85 LYS C C 115 175.690 174.535 1.155 1
1 1122 . 5 1 1 A 85 85 LYS CA C 115 56.251 57.899 -1.648 1
1 1123 . 5 1 1 A 85 85 LYS CB C 115 34.217 32.367 1.850 1
1 1127 . 5 1 1 A 85 85 LYS N N 115 119.240 119.275 -0.035 1
1 1128 . 5 1 1 A 86 86 THR H H 116 7.327 7.604 -0.277 1
1 1129 . 5 1 1 A 86 86 THR HA H 116 3.572 3.670 -0.098 1
1 1134 . 5 1 1 A 86 86 THR C C 116 170.519 172.835 -2.316 1
1 1135 . 5 1 1 A 86 86 THR CA C 116 59.094 60.022 -0.928 1
1 1136 . 5 1 1 A 86 86 THR CB C 116 68.191 69.832 -1.641 1
1 1138 . 5 1 1 A 86 86 THR N N 116 113.403 111.654 1.749 1
1 1139 . 5 1 1 A 87 87 ASN H H 117 8.035 8.996 -0.961 1
1 1140 . 5 1 1 A 87 87 ASN HA H 117 4.914 4.744 0.170 1
1 1145 . 5 1 1 A 87 87 ASN C C 117 175.798 176.856 -1.058 1
1 1146 . 5 1 1 A 87 87 ASN CA C 117 52.062 55.660 -3.598 1
1 1147 . 5 1 1 A 87 87 ASN CB C 117 40.563 38.566 1.997 1
1 1149 . 5 1 1 A 87 87 ASN N N 117 118.907 123.343 -4.436 1
1 1151 . 5 1 1 A 88 88 GLU H H 118 8.362 7.501 0.861 1
1 1152 . 5 1 1 A 88 88 GLU HA H 118 4.116 4.449 -0.333 1
1 1157 . 5 1 1 A 88 88 GLU C C 118 175.935 176.233 -0.298 1
1 1158 . 5 1 1 A 88 88 GLU CA C 118 55.589 56.239 -0.650 1
1 1159 . 5 1 1 A 88 88 GLU CB C 118 29.435 29.379 0.056 1
1 1161 . 5 1 1 A 88 88 GLU N N 118 119.547 116.714 2.833 1
1 1162 . 5 1 1 A 89 89 TYR H H 119 7.918 8.260 -0.342 1
1 1163 . 5 1 1 A 89 89 TYR HA H 119 4.639 4.570 0.069 1
1 1170 . 5 1 1 A 89 89 TYR C C 119 175.750 173.713 2.037 1
1 1171 . 5 1 1 A 89 89 TYR CA C 119 59.270 58.233 1.037 1
1 1172 . 5 1 1 A 89 89 TYR CB C 119 38.274 37.030 1.244 1
1 1175 . 5 1 1 A 89 89 TYR N N 119 118.293 118.990 -0.697 1
1 1176 . 5 1 1 A 90 90 ALA H H 120 8.285 8.915 -0.630 1
1 1177 . 5 1 1 A 90 90 ALA HA H 120 4.273 4.668 -0.395 1
1 1181 . 5 1 1 A 90 90 ALA C C 120 175.773 175.445 0.328 1
1 1182 . 5 1 1 A 90 90 ALA CA C 120 52.014 51.322 0.692 1
1 1183 . 5 1 1 A 90 90 ALA CB C 120 19.920 19.280 0.640 1
1 1184 . 5 1 1 A 90 90 ALA N N 120 126.212 122.972 3.240 1
1 11 . 6 1 1 A 2 2 SER HA H 32 4.469 4.163 0.306 1
1 14 . 6 1 1 A 2 2 SER C C 32 174.865 174.701 0.164 1
1 15 . 6 1 1 A 2 2 SER CA C 32 58.680 59.839 -1.159 1
1 16 . 6 1 1 A 2 2 SER CB C 32 63.805 63.913 -0.108 1
1 17 . 6 1 1 A 3 3 GLY H H 33 8.513 7.397 1.116 1
1 18 . 6 1 1 A 3 3 GLY HA2 H 33 3.972 4.018 -0.046 1
1 19 . 6 1 1 A 3 3 GLY HA3 H 33 3.972 4.018 -0.046 1
1 20 . 6 1 1 A 3 3 GLY C C 33 173.735 172.138 1.597 1
1 21 . 6 1 1 A 3 3 GLY CA C 33 45.132 44.398 0.734 1
1 22 . 6 1 1 A 3 3 GLY N N 33 110.526 106.981 3.545 1
1 23 . 6 1 1 A 4 4 LEU H H 34 8.145 8.335 -0.190 1
1 24 . 6 1 1 A 4 4 LEU HA H 34 4.599 4.895 -0.296 1
1 34 . 6 1 1 A 4 4 LEU C C 34 175.201 174.184 1.017 1
1 35 . 6 1 1 A 4 4 LEU CA C 34 53.002 51.825 1.177 1
1 36 . 6 1 1 A 4 4 LEU CB C 34 41.772 45.381 -3.609 1
1 40 . 6 1 1 A 4 4 LEU N N 34 122.423 120.156 2.267 1
1 41 . 6 1 1 A 5 5 PRO HA H 35 4.551 4.802 -0.251 1
1 48 . 6 1 1 A 5 5 PRO C C 35 176.487 176.256 0.231 1
1 49 . 6 1 1 A 5 5 PRO CA C 35 62.771 62.618 0.153 1
1 50 . 6 1 1 A 5 5 PRO CB C 35 32.488 31.997 0.491 1
1 53 . 6 1 1 A 6 6 THR H H 36 8.447 8.483 -0.036 1
1 54 . 6 1 1 A 6 6 THR HA H 36 4.445 4.534 -0.089 1
1 59 . 6 1 1 A 6 6 THR C C 36 174.231 173.946 0.285 1
1 60 . 6 1 1 A 6 6 THR CA C 36 61.727 61.291 0.436 1
1 61 . 6 1 1 A 6 6 THR CB C 36 69.213 70.600 -1.387 1
1 63 . 6 1 1 A 6 6 THR N N 36 111.916 116.960 -5.044 1
1 64 . 6 1 1 A 7 7 THR H H 37 7.303 7.345 -0.042 1
1 65 . 6 1 1 A 7 7 THR HA H 37 5.232 5.033 0.199 1
1 70 . 6 1 1 A 7 7 THR C C 37 175.848 174.749 1.099 1
1 71 . 6 1 1 A 7 7 THR CA C 37 58.599 59.444 -0.845 1
1 72 . 6 1 1 A 7 7 THR CB C 37 71.971 72.202 -0.231 1
1 74 . 6 1 1 A 7 7 THR N N 37 110.288 112.235 -1.947 1
1 75 . 6 1 1 A 8 8 LEU H H 38 9.065 8.704 0.361 1
1 76 . 6 1 1 A 8 8 LEU HA H 38 3.829 3.916 -0.087 1
1 86 . 6 1 1 A 8 8 LEU C C 38 177.964 179.006 -1.042 1
1 87 . 6 1 1 A 8 8 LEU CA C 38 57.613 58.032 -0.419 1
1 88 . 6 1 1 A 8 8 LEU CB C 38 41.058 41.361 -0.303 1
1 92 . 6 1 1 A 8 8 LEU N N 38 122.441 124.141 -1.700 1
1 93 . 6 1 1 A 9 9 GLY H H 39 8.753 8.421 0.332 1
1 94 . 6 1 1 A 9 9 GLY HA2 H 39 3.969 3.815 0.154 1
1 95 . 6 1 1 A 9 9 GLY HA3 H 39 3.769 3.816 -0.047 1
1 96 . 6 1 1 A 9 9 GLY C C 39 176.615 176.385 0.230 1
1 97 . 6 1 1 A 9 9 GLY CA C 39 47.314 47.021 0.293 1
1 98 . 6 1 1 A 9 9 GLY N N 39 104.356 106.822 -2.466 1
1 99 . 6 1 1 A 10 10 LYS H H 40 7.341 7.658 -0.317 1
1 100 . 6 1 1 A 10 10 LYS HA H 40 4.241 4.055 0.186 1
1 109 . 6 1 1 A 10 10 LYS C C 40 179.292 179.212 0.080 1
1 110 . 6 1 1 A 10 10 LYS CA C 40 58.108 59.211 -1.103 1
1 111 . 6 1 1 A 10 10 LYS CB C 40 32.346 32.100 0.246 1
1 115 . 6 1 1 A 10 10 LYS N N 40 120.741 122.489 -1.748 1
1 116 . 6 1 1 A 11 11 LEU H H 41 8.033 7.767 0.266 1
1 117 . 6 1 1 A 11 11 LEU HA H 41 4.059 4.124 -0.065 1
1 127 . 6 1 1 A 11 11 LEU C C 41 177.253 177.851 -0.598 1
1 128 . 6 1 1 A 11 11 LEU CA C 41 57.978 57.468 0.510 1
1 129 . 6 1 1 A 11 11 LEU CB C 41 41.760 41.673 0.087 1
1 133 . 6 1 1 A 11 11 LEU N N 41 121.501 122.189 -0.688 1
1 134 . 6 1 1 A 12 12 ASP H H 42 9.025 8.591 0.434 1
1 135 . 6 1 1 A 12 12 ASP HA H 42 4.045 4.274 -0.229 1
1 138 . 6 1 1 A 12 12 ASP C C 42 176.536 178.206 -1.670 1
1 139 . 6 1 1 A 12 12 ASP CA C 42 58.740 58.016 0.724 1
1 140 . 6 1 1 A 12 12 ASP CB C 42 44.783 42.144 2.639 1
1 141 . 6 1 1 A 12 12 ASP N N 42 119.776 119.174 0.602 1
1 142 . 6 1 1 A 13 13 GLU H H 43 7.253 8.037 -0.784 1
1 143 . 6 1 1 A 13 13 GLU HA H 43 3.869 4.026 -0.157 1
1 148 . 6 1 1 A 13 13 GLU C C 43 178.916 178.790 0.126 1
1 149 . 6 1 1 A 13 13 GLU CA C 43 59.511 59.651 -0.140 1
1 150 . 6 1 1 A 13 13 GLU CB C 43 30.131 29.146 0.985 1
1 152 . 6 1 1 A 13 13 GLU N N 43 116.304 118.717 -2.413 1
1 153 . 6 1 1 A 14 14 ARG H H 44 7.234 7.742 -0.508 1
1 154 . 6 1 1 A 14 14 ARG HA H 44 3.920 4.171 -0.251 1
1 163 . 6 1 1 A 14 14 ARG C C 44 177.609 178.775 -1.166 1
1 164 . 6 1 1 A 14 14 ARG CA C 44 58.607 58.835 -0.228 1
1 165 . 6 1 1 A 14 14 ARG CB C 44 30.304 30.218 0.086 1
1 168 . 6 1 1 A 14 14 ARG N N 44 118.267 120.527 -2.260 1
1 171 . 6 1 1 A 15 15 LEU H H 45 8.734 8.510 0.224 1
1 172 . 6 1 1 A 15 15 LEU HA H 45 3.809 4.172 -0.363 1
1 182 . 6 1 1 A 15 15 LEU C C 45 179.204 179.282 -0.078 1
1 183 . 6 1 1 A 15 15 LEU CA C 45 58.248 58.418 -0.170 1
1 184 . 6 1 1 A 15 15 LEU CB C 45 42.076 41.695 0.381 1
1 188 . 6 1 1 A 15 15 LEU N N 45 117.856 119.971 -2.115 1
1 189 . 6 1 1 A 16 16 ARG H H 46 8.280 8.531 -0.251 1
1 190 . 6 1 1 A 16 16 ARG HA H 46 3.863 4.047 -0.184 1
1 200 . 6 1 1 A 16 16 ARG C C 46 179.432 178.773 0.659 1
1 201 . 6 1 1 A 16 16 ARG CA C 46 60.779 59.652 1.127 1
1 202 . 6 1 1 A 16 16 ARG CB C 46 29.824 29.915 -0.091 1
1 205 . 6 1 1 A 16 16 ARG N N 46 115.954 120.218 -4.264 1
1 209 . 6 1 1 A 17 17 ASN H H 47 7.433 7.744 -0.311 1
1 210 . 6 1 1 A 17 17 ASN HA H 47 4.458 4.508 -0.050 1
1 215 . 6 1 1 A 17 17 ASN C C 47 177.657 177.933 -0.276 1
1 216 . 6 1 1 A 17 17 ASN CA C 47 56.297 56.218 0.079 1
1 217 . 6 1 1 A 17 17 ASN CB C 47 38.540 38.165 0.375 1
1 219 . 6 1 1 A 17 17 ASN N N 47 118.514 117.959 0.555 1
1 221 . 6 1 1 A 18 18 TYR H H 48 8.945 8.643 0.302 1
1 222 . 6 1 1 A 18 18 TYR HA H 48 4.184 4.270 -0.086 1
1 229 . 6 1 1 A 18 18 TYR C C 48 177.806 178.327 -0.521 1
1 230 . 6 1 1 A 18 18 TYR CA C 48 58.651 60.906 -2.255 1
1 231 . 6 1 1 A 18 18 TYR CB C 48 36.527 38.088 -1.561 1
1 234 . 6 1 1 A 18 18 TYR N N 48 121.714 121.170 0.544 1
1 235 . 6 1 1 A 19 19 LEU H H 49 8.293 7.845 0.448 1
1 236 . 6 1 1 A 19 19 LEU HA H 49 3.410 3.620 -0.210 1
1 246 . 6 1 1 A 19 19 LEU C C 49 179.153 178.894 0.259 1
1 247 . 6 1 1 A 19 19 LEU CA C 49 57.822 57.812 0.010 1
1 248 . 6 1 1 A 19 19 LEU CB C 49 41.929 41.291 0.638 1
1 252 . 6 1 1 A 19 19 LEU N N 49 119.284 120.495 -1.211 1
1 253 . 6 1 1 A 20 20 LYS H H 50 7.322 8.072 -0.750 1
1 254 . 6 1 1 A 20 20 LYS HA H 50 3.893 3.882 0.011 1
1 263 . 6 1 1 A 20 20 LYS C C 50 177.980 179.586 -1.606 1
1 264 . 6 1 1 A 20 20 LYS CA C 50 59.104 60.126 -1.022 1
1 265 . 6 1 1 A 20 20 LYS CB C 50 32.348 32.188 0.160 1
1 269 . 6 1 1 A 20 20 LYS N N 50 117.005 118.302 -1.297 1
1 270 . 6 1 1 A 21 21 LYS H H 51 7.435 7.976 -0.541 1
1 271 . 6 1 1 A 21 21 LYS HA H 51 4.080 4.022 0.058 1
1 280 . 6 1 1 A 21 21 LYS C C 51 178.971 178.080 0.891 1
1 281 . 6 1 1 A 21 21 LYS CA C 51 57.418 59.460 -2.042 1
1 282 . 6 1 1 A 21 21 LYS CB C 51 32.675 32.247 0.428 1
1 286 . 6 1 1 A 21 21 LYS N N 51 115.946 119.927 -3.981 1
1 287 . 6 1 1 A 22 22 GLY H H 52 8.290 7.829 0.461 1
1 288 . 6 1 1 A 22 22 GLY HA2 H 52 3.897 4.024 -0.127 1
1 289 . 6 1 1 A 22 22 GLY HA3 H 52 4.181 4.126 0.055 1
1 290 . 6 1 1 A 22 22 GLY C C 52 173.610 173.938 -0.328 1
1 291 . 6 1 1 A 22 22 GLY CA C 52 45.088 45.259 -0.171 1
1 292 . 6 1 1 A 22 22 GLY N N 52 105.432 106.403 -0.971 1
1 293 . 6 1 1 A 23 23 THR H H 53 7.148 7.484 -0.336 1
1 294 . 6 1 1 A 23 23 THR HA H 53 4.838 4.474 0.364 1
1 300 . 6 1 1 A 23 23 THR C C 53 174.444 174.820 -0.376 1
1 301 . 6 1 1 A 23 23 THR CA C 53 59.766 60.214 -0.448 1
1 302 . 6 1 1 A 23 23 THR CB C 53 72.471 71.577 0.894 1
1 304 . 6 1 1 A 23 23 THR N N 53 107.608 112.509 -4.901 1
1 305 . 6 1 1 A 24 24 LYS H H 54 8.414 8.564 -0.150 1
1 306 . 6 1 1 A 24 24 LYS HA H 54 4.355 4.164 0.191 1
1 315 . 6 1 1 A 24 24 LYS C C 54 177.632 176.718 0.914 1
1 316 . 6 1 1 A 24 24 LYS CA C 54 57.393 58.013 -0.620 1
1 317 . 6 1 1 A 24 24 LYS CB C 54 32.806 32.894 -0.088 1
1 321 . 6 1 1 A 24 24 LYS N N 54 118.924 119.849 -0.925 1
1 322 . 6 1 1 A 25 25 ASN H H 55 7.823 7.747 0.076 1
1 323 . 6 1 1 A 25 25 ASN HA H 55 4.992 5.038 -0.046 1
1 328 . 6 1 1 A 25 25 ASN C C 55 174.882 175.152 -0.270 1
1 329 . 6 1 1 A 25 25 ASN CA C 55 51.540 52.253 -0.713 1
1 330 . 6 1 1 A 25 25 ASN CB C 55 38.209 39.360 -1.151 1
1 332 . 6 1 1 A 25 25 ASN N N 55 116.576 114.459 2.117 1
1 334 . 6 1 1 A 26 26 SER H H 56 8.557 8.924 -0.367 1
1 335 . 6 1 1 A 26 26 SER HA H 56 4.145 4.177 -0.032 1
1 338 . 6 1 1 A 26 26 SER C C 56 176.886 176.616 0.270 1
1 339 . 6 1 1 A 26 26 SER CA C 56 61.051 61.300 -0.249 1
1 340 . 6 1 1 A 26 26 SER CB C 56 62.398 62.657 -0.259 1
1 341 . 6 1 1 A 26 26 SER N N 56 118.968 119.482 -0.514 1
1 342 . 6 1 1 A 27 27 ALA H H 57 8.133 8.400 -0.267 1
1 343 . 6 1 1 A 27 27 ALA HA H 57 4.277 4.131 0.146 1
1 347 . 6 1 1 A 27 27 ALA C C 57 177.779 179.363 -1.584 1
1 348 . 6 1 1 A 27 27 ALA CA C 57 54.020 54.775 -0.755 1
1 349 . 6 1 1 A 27 27 ALA CB C 57 18.258 18.255 0.003 1
1 350 . 6 1 1 A 27 27 ALA N N 57 125.334 122.874 2.460 1
1 351 . 6 1 1 A 28 28 GLN H H 58 7.113 8.247 -1.134 1
1 352 . 6 1 1 A 28 28 GLN HA H 58 4.262 4.240 0.022 1
1 359 . 6 1 1 A 28 28 GLN C C 58 174.984 176.195 -1.211 1
1 360 . 6 1 1 A 28 28 GLN CA C 58 56.272 56.778 -0.506 1
1 361 . 6 1 1 A 28 28 GLN CB C 58 28.627 27.802 0.825 1
1 364 . 6 1 1 A 28 28 GLN N N 58 112.472 113.801 -1.329 1
1 366 . 6 1 1 A 29 29 PHE H H 59 7.361 7.798 -0.437 1
1 367 . 6 1 1 A 29 29 PHE HA H 59 4.622 4.663 -0.041 1
1 375 . 6 1 1 A 29 29 PHE C C 59 173.987 175.620 -1.633 1
1 376 . 6 1 1 A 29 29 PHE CA C 59 59.534 58.903 0.631 1
1 377 . 6 1 1 A 29 29 PHE CB C 59 38.939 40.049 -1.110 1
1 381 . 6 1 1 A 29 29 PHE N N 59 118.258 119.829 -1.571 1
1 382 . 6 1 1 A 30 30 GLU H H 60 9.228 9.416 -0.188 1
1 383 . 6 1 1 A 30 30 GLU HA H 60 4.479 4.653 -0.174 1
1 388 . 6 1 1 A 30 30 GLU C C 60 176.282 175.879 0.403 1
1 389 . 6 1 1 A 30 30 GLU CA C 60 57.063 57.557 -0.494 1
1 390 . 6 1 1 A 30 30 GLU CB C 60 33.512 33.183 0.329 1
1 392 . 6 1 1 A 30 30 GLU N N 60 125.247 124.063 1.184 1
1 393 . 6 1 1 A 31 31 LYS H H 61 7.998 7.744 0.254 1
1 394 . 6 1 1 A 31 31 LYS HA H 61 5.074 4.772 0.302 1
1 403 . 6 1 1 A 31 31 LYS C C 61 172.325 174.467 -2.142 1
1 404 . 6 1 1 A 31 31 LYS CA C 61 54.881 55.205 -0.324 1
1 405 . 6 1 1 A 31 31 LYS CB C 61 35.683 35.326 0.357 1
1 409 . 6 1 1 A 31 31 LYS N N 61 113.709 116.125 -2.416 1
1 410 . 6 1 1 A 32 32 MET H H 62 9.051 9.175 -0.124 1
1 411 . 6 1 1 A 32 32 MET HA H 62 5.630 5.528 0.102 1
1 419 . 6 1 1 A 32 32 MET C C 62 172.898 173.900 -1.002 1
1 420 . 6 1 1 A 32 32 MET CA C 62 53.043 53.427 -0.384 1
1 421 . 6 1 1 A 32 32 MET CB C 62 35.214 35.657 -0.443 1
1 424 . 6 1 1 A 32 32 MET N N 62 118.635 116.717 1.918 1
1 425 . 6 1 1 A 33 33 VAL H H 63 9.186 8.848 0.338 1
1 426 . 6 1 1 A 33 33 VAL HA H 63 4.700 4.922 -0.222 1
1 434 . 6 1 1 A 33 33 VAL C C 63 174.133 174.641 -0.508 1
1 435 . 6 1 1 A 33 33 VAL CA C 63 61.351 60.529 0.822 1
1 436 . 6 1 1 A 33 33 VAL CB C 63 34.651 35.834 -1.183 1
1 439 . 6 1 1 A 33 33 VAL N N 63 122.441 119.602 2.839 1
1 440 . 6 1 1 A 34 34 ILE H H 64 9.244 8.999 0.245 1
1 441 . 6 1 1 A 34 34 ILE HA H 64 4.302 4.986 -0.684 1
1 451 . 6 1 1 A 34 34 ILE C C 64 174.924 175.160 -0.236 1
1 452 . 6 1 1 A 34 34 ILE CA C 64 60.422 59.749 0.673 1
1 453 . 6 1 1 A 34 34 ILE CB C 64 41.255 41.120 0.135 1
1 457 . 6 1 1 A 34 34 ILE N N 64 127.876 126.824 1.052 1
1 458 . 6 1 1 A 35 35 LEU H H 65 9.117 9.146 -0.029 1
1 459 . 6 1 1 A 35 35 LEU HA H 65 5.531 5.622 -0.091 1
1 469 . 6 1 1 A 35 35 LEU C C 65 178.538 176.414 2.124 1
1 470 . 6 1 1 A 35 35 LEU CA C 65 53.047 53.497 -0.450 1
1 471 . 6 1 1 A 35 35 LEU CB C 65 43.797 45.025 -1.228 1
1 475 . 6 1 1 A 35 35 LEU N N 65 125.572 126.872 -1.300 1
1 476 . 6 1 1 A 36 36 THR H H 66 8.634 9.007 -0.373 1
1 477 . 6 1 1 A 36 36 THR HA H 66 5.212 5.384 -0.172 1
1 482 . 6 1 1 A 36 36 THR C C 66 174.918 174.070 0.848 1
1 483 . 6 1 1 A 36 36 THR CA C 66 59.374 59.616 -0.242 1
1 484 . 6 1 1 A 36 36 THR CB C 66 72.100 71.795 0.305 1
1 486 . 6 1 1 A 36 36 THR N N 66 112.840 114.843 -2.003 1
1 487 . 6 1 1 A 37 37 GLU H H 67 8.580 8.663 -0.083 1
1 488 . 6 1 1 A 37 37 GLU HA H 67 4.469 4.166 0.303 1
1 493 . 6 1 1 A 37 37 GLU C C 67 177.333 176.892 0.441 1
1 494 . 6 1 1 A 37 37 GLU CA C 67 57.348 56.295 1.053 1
1 495 . 6 1 1 A 37 37 GLU CB C 67 31.357 30.547 0.810 1
1 497 . 6 1 1 A 37 37 GLU N N 67 118.675 121.448 -2.773 1
1 498 . 6 1 1 A 38 38 ASN H H 68 8.580 9.344 -0.764 1
1 499 . 6 1 1 A 38 38 ASN HA H 68 3.768 4.615 -0.847 1
1 504 . 6 1 1 A 38 38 ASN C C 68 172.921 174.650 -1.729 1
1 505 . 6 1 1 A 38 38 ASN CA C 68 54.686 54.657 0.029 1
1 506 . 6 1 1 A 38 38 ASN CB C 68 36.511 37.245 -0.734 1
1 508 . 6 1 1 A 38 38 ASN N N 68 114.341 117.521 -3.180 1
1 510 . 6 1 1 A 39 39 LYS H H 69 7.891 8.267 -0.376 1
1 511 . 6 1 1 A 39 39 LYS HA H 69 3.936 3.824 0.112 1
1 520 . 6 1 1 A 39 39 LYS C C 69 177.032 176.186 0.846 1
1 521 . 6 1 1 A 39 39 LYS CA C 69 56.758 57.567 -0.809 1
1 522 . 6 1 1 A 39 39 LYS CB C 69 28.099 30.006 -1.907 1
1 526 . 6 1 1 A 39 39 LYS N N 69 107.932 109.816 -1.884 1
1 527 . 6 1 1 A 40 40 GLY H H 70 6.998 7.621 -0.623 1
1 528 . 6 1 1 A 40 40 GLY HA2 H 70 4.362 3.946 0.416 1
1 529 . 6 1 1 A 40 40 GLY HA3 H 70 3.875 4.089 -0.214 1
1 530 . 6 1 1 A 40 40 GLY C C 70 173.763 172.116 1.647 1
1 531 . 6 1 1 A 40 40 GLY CA C 70 46.628 45.754 0.874 1
1 532 . 6 1 1 A 40 40 GLY N N 70 107.011 107.431 -0.420 1
1 533 . 6 1 1 A 41 41 TYR H H 71 7.679 8.579 -0.900 1
1 534 . 6 1 1 A 41 41 TYR HA H 71 5.097 5.443 -0.346 1
1 541 . 6 1 1 A 41 41 TYR C C 71 174.452 173.066 1.386 1
1 542 . 6 1 1 A 41 41 TYR CA C 71 57.730 56.402 1.328 1
1 543 . 6 1 1 A 41 41 TYR CB C 71 40.474 41.916 -1.442 1
1 546 . 6 1 1 A 41 41 TYR N N 71 129.822 123.550 6.272 1
1 547 . 6 1 1 A 42 42 TYR H H 72 9.101 8.726 0.375 1
1 548 . 6 1 1 A 42 42 TYR HA H 72 4.875 5.112 -0.237 1
1 555 . 6 1 1 A 42 42 TYR C C 72 174.448 174.443 0.005 1
1 556 . 6 1 1 A 42 42 TYR CA C 72 56.114 56.653 -0.539 1
1 557 . 6 1 1 A 42 42 TYR CB C 72 41.115 42.794 -1.679 1
1 560 . 6 1 1 A 42 42 TYR N N 72 126.527 126.005 0.522 1
1 561 . 6 1 1 A 43 43 THR H H 73 9.022 8.838 0.184 1
1 562 . 6 1 1 A 43 43 THR HA H 73 4.876 5.081 -0.205 1
1 567 . 6 1 1 A 43 43 THR C C 73 174.791 172.376 2.415 1
1 568 . 6 1 1 A 43 43 THR CA C 73 62.821 59.463 3.358 1
1 569 . 6 1 1 A 43 43 THR CB C 73 68.769 70.921 -2.152 1
1 571 . 6 1 1 A 43 43 THR N N 73 120.810 115.878 4.932 1
1 572 . 6 1 1 A 44 44 VAL H H 74 9.233 8.909 0.324 1
1 573 . 6 1 1 A 44 44 VAL HA H 74 4.427 4.628 -0.201 1
1 581 . 6 1 1 A 44 44 VAL C C 74 175.094 174.201 0.893 1
1 582 . 6 1 1 A 44 44 VAL CA C 74 61.457 60.746 0.711 1
1 583 . 6 1 1 A 44 44 VAL CB C 74 35.669 36.112 -0.443 1
1 586 . 6 1 1 A 44 44 VAL N N 74 129.156 126.908 2.248 1
1 587 . 6 1 1 A 45 45 TYR H H 75 9.384 8.967 0.417 1
1 588 . 6 1 1 A 45 45 TYR HA H 75 4.528 4.926 -0.398 1
1 595 . 6 1 1 A 45 45 TYR C C 75 176.497 175.716 0.781 1
1 596 . 6 1 1 A 45 45 TYR CA C 75 59.843 57.828 2.015 1
1 597 . 6 1 1 A 45 45 TYR CB C 75 38.245 40.035 -1.790 1
1 600 . 6 1 1 A 45 45 TYR N N 75 128.465 126.632 1.833 1
1 601 . 6 1 1 A 46 46 LEU H H 76 8.524 8.988 -0.464 1
1 602 . 6 1 1 A 46 46 LEU HA H 76 4.528 4.715 -0.187 1
1 612 . 6 1 1 A 46 46 LEU C C 76 177.001 177.715 -0.714 1
1 613 . 6 1 1 A 46 46 LEU CA C 76 55.010 54.784 0.226 1
1 614 . 6 1 1 A 46 46 LEU CB C 76 42.094 42.711 -0.617 1
1 618 . 6 1 1 A 46 46 LEU N N 76 119.547 122.681 -3.134 1
1 619 . 6 1 1 A 47 47 ASN H H 77 8.599 8.339 0.260 1
1 620 . 6 1 1 A 47 47 ASN HA H 77 4.618 4.607 0.011 1
1 625 . 6 1 1 A 47 47 ASN C C 77 173.844 175.695 -1.851 1
1 626 . 6 1 1 A 47 47 ASN CA C 77 54.045 56.381 -2.336 1
1 627 . 6 1 1 A 47 47 ASN CB C 77 37.058 38.768 -1.710 1
1 629 . 6 1 1 A 47 47 ASN N N 77 116.407 116.215 0.192 1
1 631 . 6 1 1 A 48 48 THR H H 78 7.429 7.761 -0.332 1
1 632 . 6 1 1 A 48 48 THR HA H 78 4.803 5.078 -0.275 1
1 637 . 6 1 1 A 48 48 THR C C 78 175.201 171.777 3.424 1
1 638 . 6 1 1 A 48 48 THR CA C 78 58.577 58.920 -0.343 1
1 639 . 6 1 1 A 48 48 THR CB C 78 70.494 71.145 -0.651 1
1 641 . 6 1 1 A 48 48 THR N N 78 111.551 109.404 2.147 1
1 642 . 6 1 1 A 49 49 PRO HA H 79 4.462 4.533 -0.071 1
1 649 . 6 1 1 A 49 49 PRO C C 79 176.670 177.195 -0.525 1
1 650 . 6 1 1 A 49 49 PRO CA C 79 62.384 62.969 -0.585 1
1 651 . 6 1 1 A 49 49 PRO CB C 79 32.205 32.101 0.104 1
1 654 . 6 1 1 A 50 50 LEU H H 80 9.049 8.332 0.717 1
1 655 . 6 1 1 A 50 50 LEU HA H 80 4.081 4.361 -0.280 1
1 665 . 6 1 1 A 50 50 LEU C C 80 176.758 176.715 0.043 1
1 666 . 6 1 1 A 50 50 LEU CA C 80 55.315 54.116 1.199 1
1 667 . 6 1 1 A 50 50 LEU CB C 80 41.915 43.034 -1.119 1
1 671 . 6 1 1 A 50 50 LEU N N 80 126.341 119.237 7.104 1
1 672 . 6 1 1 A 51 51 ALA H H 81 8.415 8.745 -0.330 1
1 673 . 6 1 1 A 51 51 ALA HA H 81 4.187 4.335 -0.148 1
1 677 . 6 1 1 A 51 51 ALA C C 81 179.005 178.511 0.494 1
1 678 . 6 1 1 A 51 51 ALA CA C 81 52.851 52.469 0.382 1
1 679 . 6 1 1 A 51 51 ALA CB C 81 19.625 19.136 0.489 1
1 680 . 6 1 1 A 51 51 ALA N N 81 129.745 123.290 6.455 1
1 681 . 6 1 1 A 52 52 GLU H H 82 8.739 8.978 -0.239 1
1 682 . 6 1 1 A 52 52 GLU HA H 82 3.815 4.017 -0.202 1
1 687 . 6 1 1 A 52 52 GLU C C 82 178.591 178.324 0.267 1
1 688 . 6 1 1 A 52 52 GLU CA C 82 59.566 59.434 0.132 1
1 689 . 6 1 1 A 52 52 GLU CB C 82 29.774 29.263 0.511 1
1 691 . 6 1 1 A 52 52 GLU N N 82 121.424 123.133 -1.709 1
1 692 . 6 1 1 A 53 53 ASP H H 83 8.511 8.259 0.252 1
1 693 . 6 1 1 A 53 53 ASP HA H 83 4.427 4.415 0.012 1
1 696 . 6 1 1 A 53 53 ASP C C 83 177.306 177.588 -0.282 1
1 697 . 6 1 1 A 53 53 ASP CA C 83 55.398 56.813 -1.415 1
1 698 . 6 1 1 A 53 53 ASP CB C 83 39.430 40.349 -0.919 1
1 699 . 6 1 1 A 53 53 ASP N N 83 114.043 119.311 -5.268 1
1 700 . 6 1 1 A 54 54 ARG H H 84 7.800 7.716 0.084 1
1 701 . 6 1 1 A 54 54 ARG HA H 84 4.527 4.346 0.181 1
1 710 . 6 1 1 A 54 54 ARG C C 84 176.966 178.379 -1.413 1
1 711 . 6 1 1 A 54 54 ARG CA C 84 55.915 57.107 -1.192 1
1 712 . 6 1 1 A 54 54 ARG CB C 84 31.804 30.687 1.117 1
1 715 . 6 1 1 A 54 54 ARG N N 84 118.147 117.806 0.341 1
1 718 . 6 1 1 A 55 55 LYS H H 85 7.335 7.981 -0.646 1
1 719 . 6 1 1 A 55 55 LYS HA H 85 3.551 4.147 -0.596 1
1 728 . 6 1 1 A 55 55 LYS C C 85 178.113 178.806 -0.693 1
1 729 . 6 1 1 A 55 55 LYS CA C 85 59.887 59.742 0.145 1
1 730 . 6 1 1 A 55 55 LYS CB C 85 32.935 32.283 0.652 1
1 734 . 6 1 1 A 55 55 LYS N N 85 116.576 120.120 -3.544 1
1 735 . 6 1 1 A 56 56 ASN H H 86 8.347 7.751 0.596 1
1 736 . 6 1 1 A 56 56 ASN HA H 86 4.886 4.804 0.082 1
1 741 . 6 1 1 A 56 56 ASN C C 86 174.736 174.975 -0.239 1
1 742 . 6 1 1 A 56 56 ASN CA C 86 52.265 53.755 -1.490 1
1 743 . 6 1 1 A 56 56 ASN CB C 86 38.239 38.840 -0.601 1
1 745 . 6 1 1 A 56 56 ASN N N 86 114.341 115.412 -1.071 1
1 747 . 6 1 1 A 57 57 VAL H H 87 6.985 7.167 -0.182 1
1 748 . 6 1 1 A 57 57 VAL HA H 87 3.746 4.150 -0.404 1
1 756 . 6 1 1 A 57 57 VAL C C 87 175.380 175.973 -0.593 1
1 757 . 6 1 1 A 57 57 VAL CA C 87 63.723 62.004 1.719 1
1 758 . 6 1 1 A 57 57 VAL CB C 87 32.650 33.107 -0.457 1
1 761 . 6 1 1 A 57 57 VAL N N 87 121.424 121.483 -0.059 1
1 762 . 6 1 1 A 58 58 GLU H H 88 8.777 8.522 0.255 1
1 763 . 6 1 1 A 58 58 GLU HA H 88 4.339 4.395 -0.056 1
1 768 . 6 1 1 A 58 58 GLU C C 88 176.364 176.260 0.104 1
1 769 . 6 1 1 A 58 58 GLU CA C 88 56.085 57.070 -0.985 1
1 770 . 6 1 1 A 58 58 GLU CB C 88 29.861 30.411 -0.550 1
1 772 . 6 1 1 A 58 58 GLU N N 88 129.489 126.407 3.082 1
1 773 . 6 1 1 A 59 59 LEU H H 89 8.230 8.829 -0.599 1
1 774 . 6 1 1 A 59 59 LEU HA H 89 4.299 4.574 -0.275 1
1 784 . 6 1 1 A 59 59 LEU C C 89 178.976 176.604 2.372 1
1 785 . 6 1 1 A 59 59 LEU CA C 89 54.651 53.733 0.918 1
1 786 . 6 1 1 A 59 59 LEU CB C 89 42.596 42.425 0.171 1
1 790 . 6 1 1 A 59 59 LEU N N 89 124.395 124.163 0.232 1
1 791 . 6 1 1 A 60 60 LEU H H 90 7.777 9.270 -1.493 1
1 792 . 6 1 1 A 60 60 LEU HA H 90 4.135 4.221 -0.086 1
1 802 . 6 1 1 A 60 60 LEU C C 90 176.394 176.823 -0.429 1
1 803 . 6 1 1 A 60 60 LEU CA C 90 56.754 56.711 0.043 1
1 804 . 6 1 1 A 60 60 LEU CB C 90 42.413 42.570 -0.157 1
1 808 . 6 1 1 A 60 60 LEU N N 90 119.734 126.394 -6.660 1
1 809 . 6 1 1 A 61 61 GLY H H 91 7.224 7.425 -0.201 1
1 810 . 6 1 1 A 61 61 GLY HA2 H 91 4.165 4.074 0.091 1
1 811 . 6 1 1 A 61 61 GLY HA3 H 91 3.899 4.096 -0.197 1
1 812 . 6 1 1 A 61 61 GLY C C 91 171.742 172.644 -0.902 1
1 813 . 6 1 1 A 61 61 GLY CA C 91 44.969 45.515 -0.546 1
1 814 . 6 1 1 A 61 61 GLY N N 91 103.707 104.570 -0.863 1
1 815 . 6 1 1 A 62 62 LYS H H 92 8.771 8.399 0.372 1
1 816 . 6 1 1 A 62 62 LYS HA H 92 4.150 4.373 -0.223 1
1 825 . 6 1 1 A 62 62 LYS C C 92 177.522 175.796 1.726 1
1 826 . 6 1 1 A 62 62 LYS CA C 92 56.750 56.258 0.492 1
1 827 . 6 1 1 A 62 62 LYS CB C 92 33.835 33.330 0.505 1
1 831 . 6 1 1 A 62 62 LYS N N 92 118.635 120.895 -2.260 1
1 832 . 6 1 1 A 63 63 MET H H 93 9.188 8.318 0.870 1
1 833 . 6 1 1 A 63 63 MET HA H 93 3.835 4.526 -0.691 1
1 841 . 6 1 1 A 63 63 MET C C 93 173.913 175.657 -1.744 1
1 842 . 6 1 1 A 63 63 MET CA C 93 59.275 54.088 5.187 1
1 843 . 6 1 1 A 63 63 MET CB C 93 31.483 31.272 0.211 1
1 846 . 6 1 1 A 63 63 MET N N 93 123.413 124.235 -0.822 1
1 847 . 6 1 1 A 64 64 TYR H H 94 9.421 8.590 0.831 1
1 848 . 6 1 1 A 64 64 TYR HA H 94 4.767 4.073 0.694 1
1 855 . 6 1 1 A 64 64 TYR C C 94 173.918 175.010 -1.092 1
1 856 . 6 1 1 A 64 64 TYR CA C 94 56.933 61.557 -4.624 1
1 857 . 6 1 1 A 64 64 TYR CB C 94 40.020 39.379 0.641 1
1 860 . 6 1 1 A 64 64 TYR N N 94 129.403 126.276 3.127 1
1 861 . 6 1 1 A 65 65 LYS H H 95 7.289 7.679 -0.390 1
1 862 . 6 1 1 A 65 65 LYS HA H 95 4.688 4.736 -0.048 1
1 871 . 6 1 1 A 65 65 LYS C C 95 175.000 174.448 0.552 1
1 872 . 6 1 1 A 65 65 LYS CA C 95 55.841 54.614 1.227 1
1 873 . 6 1 1 A 65 65 LYS CB C 95 40.404 36.672 3.732 1
1 877 . 6 1 1 A 65 65 LYS N N 95 118.804 116.834 1.970 1
1 878 . 6 1 1 A 66 66 THR H H 96 8.727 8.083 0.644 1
1 879 . 6 1 1 A 66 66 THR HA H 96 5.149 5.175 -0.026 1
1 885 . 6 1 1 A 66 66 THR C C 96 172.120 172.566 -0.446 1
1 886 . 6 1 1 A 66 66 THR CA C 96 62.226 60.577 1.649 1
1 887 . 6 1 1 A 66 66 THR CB C 96 71.787 71.968 -0.181 1
1 889 . 6 1 1 A 66 66 THR N N 96 116.235 116.258 -0.023 1
1 890 . 6 1 1 A 67 67 TYR H H 97 8.969 9.115 -0.146 1
1 891 . 6 1 1 A 67 67 TYR HA H 97 5.027 5.092 -0.065 1
1 898 . 6 1 1 A 67 67 TYR C C 97 175.077 174.882 0.195 1
1 899 . 6 1 1 A 67 67 TYR CA C 97 57.278 56.522 0.756 1
1 900 . 6 1 1 A 67 67 TYR CB C 97 42.054 42.193 -0.139 1
1 903 . 6 1 1 A 67 67 TYR N N 97 125.256 124.541 0.715 1
1 904 . 6 1 1 A 68 68 PHE H H 98 9.189 9.111 0.078 1
1 905 . 6 1 1 A 68 68 PHE HA H 98 5.177 5.146 0.031 1
1 913 . 6 1 1 A 68 68 PHE C C 98 174.791 175.144 -0.353 1
1 914 . 6 1 1 A 68 68 PHE CA C 98 57.825 56.553 1.272 1
1 915 . 6 1 1 A 68 68 PHE CB C 98 42.377 43.073 -0.696 1
1 919 . 6 1 1 A 68 68 PHE N N 98 118.574 120.962 -2.388 1
1 920 . 6 1 1 A 69 69 PHE H H 99 8.976 9.630 -0.654 1
1 921 . 6 1 1 A 69 69 PHE HA H 99 4.893 5.096 -0.203 1
1 929 . 6 1 1 A 69 69 PHE C C 99 176.386 175.596 0.790 1
1 930 . 6 1 1 A 69 69 PHE CA C 99 56.777 56.289 0.488 1
1 931 . 6 1 1 A 69 69 PHE CB C 99 41.371 42.153 -0.782 1
1 935 . 6 1 1 A 69 69 PHE N N 99 119.573 121.439 -1.866 1
1 936 . 6 1 1 A 70 70 LYS H H 100 9.479 8.535 0.944 1
1 937 . 6 1 1 A 70 70 LYS HA H 100 4.533 4.109 0.424 1
1 946 . 6 1 1 A 70 70 LYS C C 100 176.156 176.367 -0.211 1
1 947 . 6 1 1 A 70 70 LYS CA C 100 56.706 56.561 0.145 1
1 948 . 6 1 1 A 70 70 LYS CB C 100 33.667 32.974 0.693 1
1 952 . 6 1 1 A 70 70 LYS N N 100 125.614 123.399 2.215 1
1 953 . 6 1 1 A 71 71 LYS H H 101 8.068 8.653 -0.585 1
1 954 . 6 1 1 A 71 71 LYS HA H 101 4.188 4.155 0.033 1
1 963 . 6 1 1 A 71 71 LYS C C 101 177.655 176.859 0.796 1
1 964 . 6 1 1 A 71 71 LYS CA C 101 58.238 56.964 1.274 1
1 965 . 6 1 1 A 71 71 LYS CB C 101 32.342 32.097 0.245 1
1 969 . 6 1 1 A 71 71 LYS N N 101 121.057 121.226 -0.169 1
1 970 . 6 1 1 A 72 72 GLY H H 102 8.899 8.938 -0.039 1
1 971 . 6 1 1 A 72 72 GLY HA2 H 102 4.196 3.953 0.243 1
1 972 . 6 1 1 A 72 72 GLY HA3 H 102 3.815 3.965 -0.150 1
1 973 . 6 1 1 A 72 72 GLY C C 102 173.997 173.949 0.048 1
1 974 . 6 1 1 A 72 72 GLY CA C 102 45.802 45.573 0.229 1
1 975 . 6 1 1 A 72 72 GLY N N 102 114.112 112.716 1.396 1
1 976 . 6 1 1 A 73 73 GLU H H 103 8.047 7.806 0.241 1
1 977 . 6 1 1 A 73 73 GLU HA H 103 4.764 4.587 0.177 1
1 982 . 6 1 1 A 73 73 GLU C C 103 175.975 176.666 -0.691 1
1 983 . 6 1 1 A 73 73 GLU CA C 103 56.295 55.758 0.537 1
1 984 . 6 1 1 A 73 73 GLU CB C 103 31.153 31.322 -0.169 1
1 986 . 6 1 1 A 73 73 GLU N N 103 119.538 120.635 -1.097 1
1 987 . 6 1 1 A 74 74 SER H H 104 8.742 8.684 0.058 1
1 988 . 6 1 1 A 74 74 SER HA H 104 4.598 4.901 -0.303 1
1 991 . 6 1 1 A 74 74 SER C C 104 171.916 173.969 -2.053 1
1 992 . 6 1 1 A 74 74 SER CA C 104 58.363 57.126 1.237 1
1 993 . 6 1 1 A 74 74 SER CB C 104 64.025 64.829 -0.804 1
1 994 . 6 1 1 A 74 74 SER N N 104 115.383 113.549 1.834 1
1 995 . 6 1 1 A 75 75 LYS H H 105 7.608 7.537 0.071 1
1 996 . 6 1 1 A 75 75 LYS HA H 105 5.588 5.146 0.442 1
1 1005 . 6 1 1 A 75 75 LYS C C 105 176.017 175.158 0.859 1
1 1006 . 6 1 1 A 75 75 LYS CA C 105 54.548 54.717 -0.169 1
1 1007 . 6 1 1 A 75 75 LYS CB C 105 35.211 36.054 -0.843 1
1 1011 . 6 1 1 A 75 75 LYS N N 105 121.040 123.377 -2.337 1
1 1012 . 6 1 1 A 76 76 SER H H 106 8.231 9.053 -0.822 1
1 1013 . 6 1 1 A 76 76 SER HA H 106 3.377 4.001 -0.624 1
1 1016 . 6 1 1 A 76 76 SER C C 106 172.571 174.179 -1.608 1
1 1017 . 6 1 1 A 76 76 SER CA C 106 59.650 57.603 2.047 1
1 1018 . 6 1 1 A 76 76 SER CB C 106 64.857 64.185 0.672 1
1 1019 . 6 1 1 A 76 76 SER N N 106 121.783 118.576 3.207 1
1 1020 . 6 1 1 A 77 77 SER H H 107 8.333 9.057 -0.724 1
1 1021 . 6 1 1 A 77 77 SER HA H 107 5.025 4.656 0.369 1
1 1024 . 6 1 1 A 77 77 SER C C 107 174.507 173.534 0.973 1
1 1025 . 6 1 1 A 77 77 SER CA C 107 57.561 58.603 -1.042 1
1 1026 . 6 1 1 A 77 77 SER CB C 107 65.330 65.564 -0.234 1
1 1027 . 6 1 1 A 77 77 SER N N 107 106.276 116.755 -10.479 1
1 1028 . 6 1 1 A 78 78 TYR H H 108 7.825 7.256 0.569 1
1 1029 . 6 1 1 A 78 78 TYR HA H 108 4.754 4.776 -0.022 1
1 1036 . 6 1 1 A 78 78 TYR C C 108 171.725 173.670 -1.945 1
1 1037 . 6 1 1 A 78 78 TYR CA C 108 57.778 56.752 1.026 1
1 1038 . 6 1 1 A 78 78 TYR CB C 108 43.223 41.750 1.473 1
1 1041 . 6 1 1 A 78 78 TYR N N 108 126.289 119.661 6.628 1
1 1042 . 6 1 1 A 79 79 VAL H H 109 7.760 8.527 -0.767 1
1 1043 . 6 1 1 A 79 79 VAL HA H 109 5.215 4.993 0.222 1
1 1051 . 6 1 1 A 79 79 VAL C C 109 172.526 174.267 -1.741 1
1 1052 . 6 1 1 A 79 79 VAL CA C 109 59.193 59.266 -0.073 1
1 1053 . 6 1 1 A 79 79 VAL CB C 109 36.173 35.827 0.346 1
1 1056 . 6 1 1 A 79 79 VAL N N 109 127.825 121.314 6.511 1
1 1057 . 6 1 1 A 80 80 ILE H H 110 8.616 8.379 0.237 1
1 1058 . 6 1 1 A 80 80 ILE HA H 110 4.011 4.481 -0.470 1
1 1068 . 6 1 1 A 80 80 ILE C C 110 174.690 174.163 0.527 1
1 1069 . 6 1 1 A 80 80 ILE CA C 110 60.922 59.699 1.223 1
1 1070 . 6 1 1 A 80 80 ILE CB C 110 42.047 41.971 0.076 1
1 1074 . 6 1 1 A 80 80 ILE N N 110 124.001 121.255 2.746 1
1 1075 . 6 1 1 A 81 81 ASN H H 111 8.937 8.544 0.393 1
1 1076 . 6 1 1 A 81 81 ASN HA H 111 4.760 5.466 -0.706 1
1 1081 . 6 1 1 A 81 81 ASN C C 111 175.326 175.569 -0.243 1
1 1082 . 6 1 1 A 81 81 ASN CA C 111 53.600 51.214 2.386 1
1 1083 . 6 1 1 A 81 81 ASN CB C 111 40.412 41.224 -0.812 1
1 1085 . 6 1 1 A 81 81 ASN N N 111 126.229 123.237 2.992 1
1 1087 . 6 1 1 A 82 82 GLY H H 112 7.984 8.321 -0.337 1
1 1088 . 6 1 1 A 82 82 GLY HA2 H 112 4.457 4.219 0.238 1
1 1089 . 6 1 1 A 82 82 GLY HA3 H 112 3.847 4.237 -0.390 1
1 1090 . 6 1 1 A 82 82 GLY C C 112 171.875 171.500 0.375 1
1 1091 . 6 1 1 A 82 82 GLY CA C 112 43.303 45.074 -1.771 1
1 1092 . 6 1 1 A 82 82 GLY N N 112 110.894 108.496 2.398 1
1 1093 . 6 1 1 A 83 83 PRO HA H 113 4.609 4.406 0.203 1
1 1100 . 6 1 1 A 83 83 PRO C C 113 178.327 177.369 0.958 1
1 1101 . 6 1 1 A 83 83 PRO CA C 113 63.342 63.493 -0.151 1
1 1102 . 6 1 1 A 83 83 PRO CB C 113 32.232 31.626 0.606 1
1 1105 . 6 1 1 A 84 84 GLY H H 114 8.939 8.625 0.314 1
1 1106 . 6 1 1 A 84 84 GLY HA2 H 114 4.055 4.032 0.023 1
1 1107 . 6 1 1 A 84 84 GLY HA3 H 114 3.192 4.100 -0.908 1
1 1108 . 6 1 1 A 84 84 GLY C C 114 172.587 175.553 -2.966 1
1 1109 . 6 1 1 A 84 84 GLY CA C 114 44.667 45.437 -0.770 1
1 1110 . 6 1 1 A 84 84 GLY N N 114 109.324 111.396 -2.072 1
1 1111 . 6 1 1 A 85 85 LYS H H 115 9.550 8.212 1.338 1
1 1112 . 6 1 1 A 85 85 LYS HA H 115 4.527 4.085 0.442 1
1 1121 . 6 1 1 A 85 85 LYS C C 115 175.690 174.817 0.873 1
1 1122 . 6 1 1 A 85 85 LYS CA C 115 56.251 58.058 -1.807 1
1 1123 . 6 1 1 A 85 85 LYS CB C 115 34.217 30.643 3.574 1
1 1127 . 6 1 1 A 85 85 LYS N N 115 119.240 116.210 3.030 1
1 1128 . 6 1 1 A 86 86 THR H H 116 7.327 7.940 -0.613 1
1 1129 . 6 1 1 A 86 86 THR HA H 116 3.572 4.264 -0.692 1
1 1134 . 6 1 1 A 86 86 THR C C 116 170.519 172.888 -2.369 1
1 1135 . 6 1 1 A 86 86 THR CA C 116 59.094 60.354 -1.260 1
1 1136 . 6 1 1 A 86 86 THR CB C 116 68.191 69.996 -1.805 1
1 1138 . 6 1 1 A 86 86 THR N N 116 113.403 111.342 2.061 1
1 1139 . 6 1 1 A 87 87 ASN H H 117 8.035 8.415 -0.380 1
1 1140 . 6 1 1 A 87 87 ASN HA H 117 4.914 4.602 0.312 1
1 1145 . 6 1 1 A 87 87 ASN C C 117 175.798 175.622 0.176 1
1 1146 . 6 1 1 A 87 87 ASN CA C 117 52.062 54.836 -2.774 1
1 1147 . 6 1 1 A 87 87 ASN CB C 117 40.563 38.504 2.059 1
1 1149 . 6 1 1 A 87 87 ASN N N 117 118.907 123.024 -4.117 1
1 1151 . 6 1 1 A 88 88 GLU H H 118 8.362 7.561 0.801 1
1 1152 . 6 1 1 A 88 88 GLU HA H 118 4.116 4.539 -0.423 1
1 1157 . 6 1 1 A 88 88 GLU C C 118 175.935 175.805 0.130 1
1 1158 . 6 1 1 A 88 88 GLU CA C 118 55.589 55.339 0.250 1
1 1159 . 6 1 1 A 88 88 GLU CB C 118 29.435 27.550 1.885 1
1 1161 . 6 1 1 A 88 88 GLU N N 118 119.547 117.378 2.169 1
1 1162 . 6 1 1 A 89 89 TYR H H 119 7.918 8.786 -0.868 1
1 1163 . 6 1 1 A 89 89 TYR HA H 119 4.639 4.322 0.317 1
1 1170 . 6 1 1 A 89 89 TYR C C 119 175.750 174.861 0.889 1
1 1171 . 6 1 1 A 89 89 TYR CA C 119 59.270 58.971 0.299 1
1 1172 . 6 1 1 A 89 89 TYR CB C 119 38.274 37.095 1.179 1
1 1175 . 6 1 1 A 89 89 TYR N N 119 118.293 118.969 -0.676 1
1 1176 . 6 1 1 A 90 90 ALA H H 120 8.285 8.361 -0.076 1
1 1177 . 6 1 1 A 90 90 ALA HA H 120 4.273 3.949 0.324 1
1 1181 . 6 1 1 A 90 90 ALA C C 120 175.773 175.745 0.028 1
1 1182 . 6 1 1 A 90 90 ALA CA C 120 52.014 53.023 -1.009 1
1 1183 . 6 1 1 A 90 90 ALA CB C 120 19.920 17.243 2.677 1
1 1184 . 6 1 1 A 90 90 ALA N N 120 126.212 116.187 10.025 1
1 11 . 7 1 1 A 2 2 SER HA H 32 4.469 4.131 0.338 1
1 14 . 7 1 1 A 2 2 SER C C 32 174.865 174.444 0.421 1
1 15 . 7 1 1 A 2 2 SER CA C 32 58.680 59.408 -0.728 1
1 16 . 7 1 1 A 2 2 SER CB C 32 63.805 61.736 2.069 1
1 17 . 7 1 1 A 3 3 GLY H H 33 8.513 8.339 0.174 1
1 18 . 7 1 1 A 3 3 GLY HA2 H 33 3.972 4.074 -0.102 1
1 19 . 7 1 1 A 3 3 GLY HA3 H 33 3.972 4.078 -0.106 1
1 20 . 7 1 1 A 3 3 GLY C C 33 173.735 173.543 0.192 1
1 21 . 7 1 1 A 3 3 GLY CA C 33 45.132 45.462 -0.330 1
1 22 . 7 1 1 A 3 3 GLY N N 33 110.526 106.165 4.361 1
1 23 . 7 1 1 A 4 4 LEU H H 34 8.145 7.530 0.615 1
1 24 . 7 1 1 A 4 4 LEU HA H 34 4.599 4.878 -0.279 1
1 34 . 7 1 1 A 4 4 LEU C C 34 175.201 174.236 0.965 1
1 35 . 7 1 1 A 4 4 LEU CA C 34 53.002 51.687 1.315 1
1 36 . 7 1 1 A 4 4 LEU CB C 34 41.772 45.457 -3.685 1
1 40 . 7 1 1 A 4 4 LEU N N 34 122.423 121.699 0.724 1
1 41 . 7 1 1 A 5 5 PRO HA H 35 4.551 4.495 0.056 1
1 48 . 7 1 1 A 5 5 PRO C C 35 176.487 177.723 -1.236 1
1 49 . 7 1 1 A 5 5 PRO CA C 35 62.771 62.850 -0.079 1
1 50 . 7 1 1 A 5 5 PRO CB C 35 32.488 32.483 0.005 1
1 53 . 7 1 1 A 6 6 THR H H 36 8.447 8.626 -0.179 1
1 54 . 7 1 1 A 6 6 THR HA H 36 4.445 4.273 0.172 1
1 59 . 7 1 1 A 6 6 THR C C 36 174.231 174.335 -0.104 1
1 60 . 7 1 1 A 6 6 THR CA C 36 61.727 63.902 -2.175 1
1 61 . 7 1 1 A 6 6 THR CB C 36 69.213 69.201 0.012 1
1 63 . 7 1 1 A 6 6 THR N N 36 111.916 117.517 -5.601 1
1 64 . 7 1 1 A 7 7 THR H H 37 7.303 7.841 -0.538 1
1 65 . 7 1 1 A 7 7 THR HA H 37 5.232 4.610 0.622 1
1 70 . 7 1 1 A 7 7 THR C C 37 175.848 174.853 0.995 1
1 71 . 7 1 1 A 7 7 THR CA C 37 58.599 59.614 -1.015 1
1 72 . 7 1 1 A 7 7 THR CB C 37 71.971 70.602 1.369 1
1 74 . 7 1 1 A 7 7 THR N N 37 110.288 111.223 -0.935 1
1 75 . 7 1 1 A 8 8 LEU H H 38 9.065 8.400 0.665 1
1 76 . 7 1 1 A 8 8 LEU HA H 38 3.829 3.944 -0.115 1
1 86 . 7 1 1 A 8 8 LEU C C 38 177.964 178.650 -0.686 1
1 87 . 7 1 1 A 8 8 LEU CA C 38 57.613 57.982 -0.369 1
1 88 . 7 1 1 A 8 8 LEU CB C 38 41.058 41.332 -0.274 1
1 92 . 7 1 1 A 8 8 LEU N N 38 122.441 123.820 -1.379 1
1 93 . 7 1 1 A 9 9 GLY H H 39 8.753 8.388 0.365 1
1 94 . 7 1 1 A 9 9 GLY HA2 H 39 3.969 3.756 0.213 1
1 95 . 7 1 1 A 9 9 GLY HA3 H 39 3.769 3.757 0.012 1
1 96 . 7 1 1 A 9 9 GLY C C 39 176.615 176.005 0.610 1
1 97 . 7 1 1 A 9 9 GLY CA C 39 47.314 47.214 0.100 1
1 98 . 7 1 1 A 9 9 GLY N N 39 104.356 107.065 -2.709 1
1 99 . 7 1 1 A 10 10 LYS H H 40 7.341 7.964 -0.623 1
1 100 . 7 1 1 A 10 10 LYS HA H 40 4.241 4.021 0.220 1
1 109 . 7 1 1 A 10 10 LYS C C 40 179.292 179.317 -0.025 1
1 110 . 7 1 1 A 10 10 LYS CA C 40 58.108 59.291 -1.183 1
1 111 . 7 1 1 A 10 10 LYS CB C 40 32.346 31.945 0.401 1
1 115 . 7 1 1 A 10 10 LYS N N 40 120.741 122.280 -1.539 1
1 116 . 7 1 1 A 11 11 LEU H H 41 8.033 7.831 0.202 1
1 117 . 7 1 1 A 11 11 LEU HA H 41 4.059 4.054 0.005 1
1 127 . 7 1 1 A 11 11 LEU C C 41 177.253 178.085 -0.832 1
1 128 . 7 1 1 A 11 11 LEU CA C 41 57.978 57.885 0.093 1
1 129 . 7 1 1 A 11 11 LEU CB C 41 41.760 41.694 0.066 1
1 133 . 7 1 1 A 11 11 LEU N N 41 121.501 121.758 -0.257 1
1 134 . 7 1 1 A 12 12 ASP H H 42 9.025 8.456 0.569 1
1 135 . 7 1 1 A 12 12 ASP HA H 42 4.045 4.353 -0.308 1
1 138 . 7 1 1 A 12 12 ASP C C 42 176.536 178.447 -1.911 1
1 139 . 7 1 1 A 12 12 ASP CA C 42 58.740 57.705 1.035 1
1 140 . 7 1 1 A 12 12 ASP CB C 42 44.783 41.461 3.322 1
1 141 . 7 1 1 A 12 12 ASP N N 42 119.776 119.269 0.507 1
1 142 . 7 1 1 A 13 13 GLU H H 43 7.253 8.125 -0.872 1
1 143 . 7 1 1 A 13 13 GLU HA H 43 3.869 4.083 -0.214 1
1 148 . 7 1 1 A 13 13 GLU C C 43 178.916 179.034 -0.118 1
1 149 . 7 1 1 A 13 13 GLU CA C 43 59.511 59.241 0.270 1
1 150 . 7 1 1 A 13 13 GLU CB C 43 30.131 29.205 0.926 1
1 152 . 7 1 1 A 13 13 GLU N N 43 116.304 119.329 -3.025 1
1 153 . 7 1 1 A 14 14 ARG H H 44 7.234 7.800 -0.566 1
1 154 . 7 1 1 A 14 14 ARG HA H 44 3.920 4.199 -0.279 1
1 163 . 7 1 1 A 14 14 ARG C C 44 177.609 178.992 -1.383 1
1 164 . 7 1 1 A 14 14 ARG CA C 44 58.607 59.143 -0.536 1
1 165 . 7 1 1 A 14 14 ARG CB C 44 30.304 30.141 0.163 1
1 168 . 7 1 1 A 14 14 ARG N N 44 118.267 119.853 -1.586 1
1 171 . 7 1 1 A 15 15 LEU H H 45 8.734 8.732 0.002 1
1 172 . 7 1 1 A 15 15 LEU HA H 45 3.809 3.967 -0.158 1
1 182 . 7 1 1 A 15 15 LEU C C 45 179.204 179.531 -0.327 1
1 183 . 7 1 1 A 15 15 LEU CA C 45 58.248 57.868 0.380 1
1 184 . 7 1 1 A 15 15 LEU CB C 45 42.076 40.913 1.163 1
1 188 . 7 1 1 A 15 15 LEU N N 45 117.856 119.595 -1.739 1
1 189 . 7 1 1 A 16 16 ARG H H 46 8.280 8.282 -0.002 1
1 190 . 7 1 1 A 16 16 ARG HA H 46 3.863 4.163 -0.300 1
1 200 . 7 1 1 A 16 16 ARG C C 46 179.432 178.986 0.446 1
1 201 . 7 1 1 A 16 16 ARG CA C 46 60.779 59.414 1.365 1
1 202 . 7 1 1 A 16 16 ARG CB C 46 29.824 29.873 -0.049 1
1 205 . 7 1 1 A 16 16 ARG N N 46 115.954 119.495 -3.541 1
1 209 . 7 1 1 A 17 17 ASN H H 47 7.433 8.035 -0.602 1
1 210 . 7 1 1 A 17 17 ASN HA H 47 4.458 4.475 -0.017 1
1 215 . 7 1 1 A 17 17 ASN C C 47 177.657 177.903 -0.246 1
1 216 . 7 1 1 A 17 17 ASN CA C 47 56.297 56.471 -0.174 1
1 217 . 7 1 1 A 17 17 ASN CB C 47 38.540 38.647 -0.107 1
1 219 . 7 1 1 A 17 17 ASN N N 47 118.514 118.062 0.452 1
1 221 . 7 1 1 A 18 18 TYR H H 48 8.945 8.639 0.306 1
1 222 . 7 1 1 A 18 18 TYR HA H 48 4.184 4.327 -0.143 1
1 229 . 7 1 1 A 18 18 TYR C C 48 177.806 178.245 -0.439 1
1 230 . 7 1 1 A 18 18 TYR CA C 48 58.651 60.781 -2.130 1
1 231 . 7 1 1 A 18 18 TYR CB C 48 36.527 38.231 -1.704 1
1 234 . 7 1 1 A 18 18 TYR N N 48 121.714 119.270 2.444 1
1 235 . 7 1 1 A 19 19 LEU H H 49 8.293 8.573 -0.280 1
1 236 . 7 1 1 A 19 19 LEU HA H 49 3.410 3.755 -0.345 1
1 246 . 7 1 1 A 19 19 LEU C C 49 179.153 178.849 0.304 1
1 247 . 7 1 1 A 19 19 LEU CA C 49 57.822 58.218 -0.396 1
1 248 . 7 1 1 A 19 19 LEU CB C 49 41.929 41.538 0.391 1
1 252 . 7 1 1 A 19 19 LEU N N 49 119.284 120.533 -1.249 1
1 253 . 7 1 1 A 20 20 LYS H H 50 7.322 7.938 -0.616 1
1 254 . 7 1 1 A 20 20 LYS HA H 50 3.893 3.915 -0.022 1
1 263 . 7 1 1 A 20 20 LYS C C 50 177.980 179.122 -1.142 1
1 264 . 7 1 1 A 20 20 LYS CA C 50 59.104 60.184 -1.080 1
1 265 . 7 1 1 A 20 20 LYS CB C 50 32.348 32.046 0.302 1
1 269 . 7 1 1 A 20 20 LYS N N 50 117.005 116.909 0.096 1
1 270 . 7 1 1 A 21 21 LYS H H 51 7.435 8.040 -0.605 1
1 271 . 7 1 1 A 21 21 LYS HA H 51 4.080 4.099 -0.019 1
1 280 . 7 1 1 A 21 21 LYS C C 51 178.971 177.894 1.077 1
1 281 . 7 1 1 A 21 21 LYS CA C 51 57.418 58.581 -1.163 1
1 282 . 7 1 1 A 21 21 LYS CB C 51 32.675 32.453 0.222 1
1 286 . 7 1 1 A 21 21 LYS N N 51 115.946 118.174 -2.228 1
1 287 . 7 1 1 A 22 22 GLY H H 52 8.290 7.718 0.572 1
1 288 . 7 1 1 A 22 22 GLY HA2 H 52 3.897 3.975 -0.078 1
1 289 . 7 1 1 A 22 22 GLY HA3 H 52 4.181 4.011 0.170 1
1 290 . 7 1 1 A 22 22 GLY C C 52 173.610 173.983 -0.373 1
1 291 . 7 1 1 A 22 22 GLY CA C 52 45.088 45.511 -0.423 1
1 292 . 7 1 1 A 22 22 GLY N N 52 105.432 108.107 -2.675 1
1 293 . 7 1 1 A 23 23 THR H H 53 7.148 7.579 -0.431 1
1 294 . 7 1 1 A 23 23 THR HA H 53 4.838 4.625 0.213 1
1 300 . 7 1 1 A 23 23 THR C C 53 174.444 174.876 -0.432 1
1 301 . 7 1 1 A 23 23 THR CA C 53 59.766 59.674 0.092 1
1 302 . 7 1 1 A 23 23 THR CB C 53 72.471 71.754 0.717 1
1 304 . 7 1 1 A 23 23 THR N N 53 107.608 111.146 -3.538 1
1 305 . 7 1 1 A 24 24 LYS H H 54 8.414 8.601 -0.187 1
1 306 . 7 1 1 A 24 24 LYS HA H 54 4.355 3.928 0.427 1
1 315 . 7 1 1 A 24 24 LYS C C 54 177.632 177.098 0.534 1
1 316 . 7 1 1 A 24 24 LYS CA C 54 57.393 59.233 -1.840 1
1 317 . 7 1 1 A 24 24 LYS CB C 54 32.806 32.495 0.311 1
1 321 . 7 1 1 A 24 24 LYS N N 54 118.924 120.805 -1.881 1
1 322 . 7 1 1 A 25 25 ASN H H 55 7.823 7.885 -0.062 1
1 323 . 7 1 1 A 25 25 ASN HA H 55 4.992 4.821 0.171 1
1 328 . 7 1 1 A 25 25 ASN C C 55 174.882 176.247 -1.365 1
1 329 . 7 1 1 A 25 25 ASN CA C 55 51.540 53.403 -1.863 1
1 330 . 7 1 1 A 25 25 ASN CB C 55 38.209 40.619 -2.410 1
1 332 . 7 1 1 A 25 25 ASN N N 55 116.576 114.563 2.013 1
1 334 . 7 1 1 A 26 26 SER H H 56 8.557 8.045 0.512 1
1 335 . 7 1 1 A 26 26 SER HA H 56 4.145 4.423 -0.278 1
1 338 . 7 1 1 A 26 26 SER C C 56 176.886 175.050 1.836 1
1 339 . 7 1 1 A 26 26 SER CA C 56 61.051 59.928 1.123 1
1 340 . 7 1 1 A 26 26 SER CB C 56 62.398 62.876 -0.478 1
1 341 . 7 1 1 A 26 26 SER N N 56 118.968 113.830 5.138 1
1 342 . 7 1 1 A 27 27 ALA H H 57 8.133 8.413 -0.280 1
1 343 . 7 1 1 A 27 27 ALA HA H 57 4.277 4.169 0.108 1
1 347 . 7 1 1 A 27 27 ALA C C 57 177.779 178.074 -0.295 1
1 348 . 7 1 1 A 27 27 ALA CA C 57 54.020 53.949 0.071 1
1 349 . 7 1 1 A 27 27 ALA CB C 57 18.258 18.311 -0.053 1
1 350 . 7 1 1 A 27 27 ALA N N 57 125.334 123.178 2.156 1
1 351 . 7 1 1 A 28 28 GLN H H 58 7.113 8.047 -0.934 1
1 352 . 7 1 1 A 28 28 GLN HA H 58 4.262 4.287 -0.025 1
1 359 . 7 1 1 A 28 28 GLN C C 58 174.984 175.944 -0.960 1
1 360 . 7 1 1 A 28 28 GLN CA C 58 56.272 55.595 0.677 1
1 361 . 7 1 1 A 28 28 GLN CB C 58 28.627 27.968 0.659 1
1 364 . 7 1 1 A 28 28 GLN N N 58 112.472 113.544 -1.072 1
1 366 . 7 1 1 A 29 29 PHE H H 59 7.361 7.273 0.088 1
1 367 . 7 1 1 A 29 29 PHE HA H 59 4.622 4.620 0.002 1
1 375 . 7 1 1 A 29 29 PHE C C 59 173.987 175.745 -1.758 1
1 376 . 7 1 1 A 29 29 PHE CA C 59 59.534 59.385 0.149 1
1 377 . 7 1 1 A 29 29 PHE CB C 59 38.939 39.495 -0.556 1
1 381 . 7 1 1 A 29 29 PHE N N 59 118.258 120.266 -2.008 1
1 382 . 7 1 1 A 30 30 GLU H H 60 9.228 9.655 -0.427 1
1 383 . 7 1 1 A 30 30 GLU HA H 60 4.479 4.659 -0.180 1
1 388 . 7 1 1 A 30 30 GLU C C 60 176.282 176.028 0.254 1
1 389 . 7 1 1 A 30 30 GLU CA C 60 57.063 57.794 -0.731 1
1 390 . 7 1 1 A 30 30 GLU CB C 60 33.512 32.819 0.693 1
1 392 . 7 1 1 A 30 30 GLU N N 60 125.247 124.588 0.659 1
1 393 . 7 1 1 A 31 31 LYS H H 61 7.998 7.620 0.378 1
1 394 . 7 1 1 A 31 31 LYS HA H 61 5.074 4.852 0.222 1
1 403 . 7 1 1 A 31 31 LYS C C 61 172.325 174.476 -2.151 1
1 404 . 7 1 1 A 31 31 LYS CA C 61 54.881 54.745 0.136 1
1 405 . 7 1 1 A 31 31 LYS CB C 61 35.683 35.791 -0.108 1
1 409 . 7 1 1 A 31 31 LYS N N 61 113.709 115.502 -1.793 1
1 410 . 7 1 1 A 32 32 MET H H 62 9.051 9.237 -0.186 1
1 411 . 7 1 1 A 32 32 MET HA H 62 5.630 5.344 0.286 1
1 419 . 7 1 1 A 32 32 MET C C 62 172.898 174.148 -1.250 1
1 420 . 7 1 1 A 32 32 MET CA C 62 53.043 53.181 -0.138 1
1 421 . 7 1 1 A 32 32 MET CB C 62 35.214 35.903 -0.689 1
1 424 . 7 1 1 A 32 32 MET N N 62 118.635 118.582 0.053 1
1 425 . 7 1 1 A 33 33 VAL H H 63 9.186 8.886 0.300 1
1 426 . 7 1 1 A 33 33 VAL HA H 63 4.700 4.895 -0.195 1
1 434 . 7 1 1 A 33 33 VAL C C 63 174.133 173.482 0.651 1
1 435 . 7 1 1 A 33 33 VAL CA C 63 61.351 59.754 1.597 1
1 436 . 7 1 1 A 33 33 VAL CB C 63 34.651 35.612 -0.961 1
1 439 . 7 1 1 A 33 33 VAL N N 63 122.441 118.591 3.850 1
1 440 . 7 1 1 A 34 34 ILE H H 64 9.244 8.938 0.306 1
1 441 . 7 1 1 A 34 34 ILE HA H 64 4.302 4.710 -0.408 1
1 451 . 7 1 1 A 34 34 ILE C C 64 174.924 174.655 0.269 1
1 452 . 7 1 1 A 34 34 ILE CA C 64 60.422 59.511 0.911 1
1 453 . 7 1 1 A 34 34 ILE CB C 64 41.255 40.657 0.598 1
1 457 . 7 1 1 A 34 34 ILE N N 64 127.876 127.858 0.018 1
1 458 . 7 1 1 A 35 35 LEU H H 65 9.117 9.178 -0.061 1
1 459 . 7 1 1 A 35 35 LEU HA H 65 5.531 5.277 0.254 1
1 469 . 7 1 1 A 35 35 LEU C C 65 178.538 176.446 2.092 1
1 470 . 7 1 1 A 35 35 LEU CA C 65 53.047 53.444 -0.397 1
1 471 . 7 1 1 A 35 35 LEU CB C 65 43.797 43.546 0.251 1
1 475 . 7 1 1 A 35 35 LEU N N 65 125.572 128.220 -2.648 1
1 476 . 7 1 1 A 36 36 THR H H 66 8.634 8.856 -0.222 1
1 477 . 7 1 1 A 36 36 THR HA H 66 5.212 5.292 -0.080 1
1 482 . 7 1 1 A 36 36 THR C C 66 174.918 174.674 0.244 1
1 483 . 7 1 1 A 36 36 THR CA C 66 59.374 59.730 -0.356 1
1 484 . 7 1 1 A 36 36 THR CB C 66 72.100 71.438 0.662 1
1 486 . 7 1 1 A 36 36 THR N N 66 112.840 115.598 -2.758 1
1 487 . 7 1 1 A 37 37 GLU H H 67 8.580 8.705 -0.125 1
1 488 . 7 1 1 A 37 37 GLU HA H 67 4.469 4.223 0.246 1
1 493 . 7 1 1 A 37 37 GLU C C 67 177.333 176.985 0.348 1
1 494 . 7 1 1 A 37 37 GLU CA C 67 57.348 56.469 0.879 1
1 495 . 7 1 1 A 37 37 GLU CB C 67 31.357 30.480 0.877 1
1 497 . 7 1 1 A 37 37 GLU N N 67 118.675 121.539 -2.864 1
1 498 . 7 1 1 A 38 38 ASN H H 68 8.580 9.295 -0.715 1
1 499 . 7 1 1 A 38 38 ASN HA H 68 3.768 4.516 -0.748 1
1 504 . 7 1 1 A 38 38 ASN C C 68 172.921 174.649 -1.728 1
1 505 . 7 1 1 A 38 38 ASN CA C 68 54.686 54.639 0.047 1
1 506 . 7 1 1 A 38 38 ASN CB C 68 36.511 37.216 -0.705 1
1 508 . 7 1 1 A 38 38 ASN N N 68 114.341 117.483 -3.142 1
1 510 . 7 1 1 A 39 39 LYS H H 69 7.891 8.789 -0.898 1
1 511 . 7 1 1 A 39 39 LYS HA H 69 3.936 3.831 0.105 1
1 520 . 7 1 1 A 39 39 LYS C C 69 177.032 176.119 0.913 1
1 521 . 7 1 1 A 39 39 LYS CA C 69 56.758 57.571 -0.813 1
1 522 . 7 1 1 A 39 39 LYS CB C 69 28.099 29.435 -1.336 1
1 526 . 7 1 1 A 39 39 LYS N N 69 107.932 109.784 -1.852 1
1 527 . 7 1 1 A 40 40 GLY H H 70 6.998 7.694 -0.696 1
1 528 . 7 1 1 A 40 40 GLY HA2 H 70 4.362 3.796 0.566 1
1 529 . 7 1 1 A 40 40 GLY HA3 H 70 3.875 4.031 -0.156 1
1 530 . 7 1 1 A 40 40 GLY C C 70 173.763 172.316 1.447 1
1 531 . 7 1 1 A 40 40 GLY CA C 70 46.628 45.804 0.824 1
1 532 . 7 1 1 A 40 40 GLY N N 70 107.011 107.211 -0.200 1
1 533 . 7 1 1 A 41 41 TYR H H 71 7.679 8.455 -0.776 1
1 534 . 7 1 1 A 41 41 TYR HA H 71 5.097 5.384 -0.287 1
1 541 . 7 1 1 A 41 41 TYR C C 71 174.452 172.870 1.582 1
1 542 . 7 1 1 A 41 41 TYR CA C 71 57.730 56.146 1.584 1
1 543 . 7 1 1 A 41 41 TYR CB C 71 40.474 41.836 -1.362 1
1 546 . 7 1 1 A 41 41 TYR N N 71 129.822 124.592 5.230 1
1 547 . 7 1 1 A 42 42 TYR H H 72 9.101 8.787 0.314 1
1 548 . 7 1 1 A 42 42 TYR HA H 72 4.875 5.087 -0.212 1
1 555 . 7 1 1 A 42 42 TYR C C 72 174.448 174.351 0.097 1
1 556 . 7 1 1 A 42 42 TYR CA C 72 56.114 56.593 -0.479 1
1 557 . 7 1 1 A 42 42 TYR CB C 72 41.115 42.901 -1.786 1
1 560 . 7 1 1 A 42 42 TYR N N 72 126.527 126.780 -0.253 1
1 561 . 7 1 1 A 43 43 THR H H 73 9.022 9.008 0.014 1
1 562 . 7 1 1 A 43 43 THR HA H 73 4.876 5.284 -0.408 1
1 567 . 7 1 1 A 43 43 THR C C 73 174.791 172.849 1.942 1
1 568 . 7 1 1 A 43 43 THR CA C 73 62.821 59.378 3.443 1
1 569 . 7 1 1 A 43 43 THR CB C 73 68.769 71.724 -2.955 1
1 571 . 7 1 1 A 43 43 THR N N 73 120.810 116.453 4.357 1
1 572 . 7 1 1 A 44 44 VAL H H 74 9.233 8.757 0.476 1
1 573 . 7 1 1 A 44 44 VAL HA H 74 4.427 4.619 -0.192 1
1 581 . 7 1 1 A 44 44 VAL C C 74 175.094 174.023 1.071 1
1 582 . 7 1 1 A 44 44 VAL CA C 74 61.457 61.155 0.302 1
1 583 . 7 1 1 A 44 44 VAL CB C 74 35.669 35.047 0.622 1
1 586 . 7 1 1 A 44 44 VAL N N 74 129.156 126.764 2.392 1
1 587 . 7 1 1 A 45 45 TYR H H 75 9.384 9.033 0.351 1
1 588 . 7 1 1 A 45 45 TYR HA H 75 4.528 4.933 -0.405 1
1 595 . 7 1 1 A 45 45 TYR C C 75 176.497 176.025 0.472 1
1 596 . 7 1 1 A 45 45 TYR CA C 75 59.843 57.818 2.025 1
1 597 . 7 1 1 A 45 45 TYR CB C 75 38.245 39.531 -1.286 1
1 600 . 7 1 1 A 45 45 TYR N N 75 128.465 126.906 1.559 1
1 601 . 7 1 1 A 46 46 LEU H H 76 8.524 9.001 -0.477 1
1 602 . 7 1 1 A 46 46 LEU HA H 76 4.528 4.353 0.175 1
1 612 . 7 1 1 A 46 46 LEU C C 76 177.001 178.088 -1.087 1
1 613 . 7 1 1 A 46 46 LEU CA C 76 55.010 55.882 -0.872 1
1 614 . 7 1 1 A 46 46 LEU CB C 76 42.094 41.818 0.276 1
1 618 . 7 1 1 A 46 46 LEU N N 76 119.547 125.400 -5.853 1
1 619 . 7 1 1 A 47 47 ASN H H 77 8.599 8.278 0.321 1
1 620 . 7 1 1 A 47 47 ASN HA H 77 4.618 4.673 -0.055 1
1 625 . 7 1 1 A 47 47 ASN C C 77 173.844 175.257 -1.413 1
1 626 . 7 1 1 A 47 47 ASN CA C 77 54.045 55.283 -1.238 1
1 627 . 7 1 1 A 47 47 ASN CB C 77 37.058 38.541 -1.483 1
1 629 . 7 1 1 A 47 47 ASN N N 77 116.407 115.909 0.498 1
1 631 . 7 1 1 A 48 48 THR H H 78 7.429 7.573 -0.144 1
1 632 . 7 1 1 A 48 48 THR HA H 78 4.803 5.059 -0.256 1
1 637 . 7 1 1 A 48 48 THR C C 78 175.201 171.793 3.408 1
1 638 . 7 1 1 A 48 48 THR CA C 78 58.577 58.717 -0.140 1
1 639 . 7 1 1 A 48 48 THR CB C 78 70.494 70.681 -0.187 1
1 641 . 7 1 1 A 48 48 THR N N 78 111.551 109.497 2.054 1
1 642 . 7 1 1 A 49 49 PRO HA H 79 4.462 4.585 -0.123 1
1 649 . 7 1 1 A 49 49 PRO C C 79 176.670 176.840 -0.170 1
1 650 . 7 1 1 A 49 49 PRO CA C 79 62.384 62.625 -0.241 1
1 651 . 7 1 1 A 49 49 PRO CB C 79 32.205 32.070 0.135 1
1 654 . 7 1 1 A 50 50 LEU H H 80 9.049 8.343 0.706 1
1 655 . 7 1 1 A 50 50 LEU HA H 80 4.081 4.381 -0.300 1
1 665 . 7 1 1 A 50 50 LEU C C 80 176.758 176.579 0.179 1
1 666 . 7 1 1 A 50 50 LEU CA C 80 55.315 53.828 1.487 1
1 667 . 7 1 1 A 50 50 LEU CB C 80 41.915 43.126 -1.211 1
1 671 . 7 1 1 A 50 50 LEU N N 80 126.341 118.954 7.387 1
1 672 . 7 1 1 A 51 51 ALA H H 81 8.415 8.682 -0.267 1
1 673 . 7 1 1 A 51 51 ALA HA H 81 4.187 4.667 -0.480 1
1 677 . 7 1 1 A 51 51 ALA C C 81 179.005 178.257 0.748 1
1 678 . 7 1 1 A 51 51 ALA CA C 81 52.851 50.703 2.148 1
1 679 . 7 1 1 A 51 51 ALA CB C 81 19.625 21.110 -1.485 1
1 680 . 7 1 1 A 51 51 ALA N N 81 129.745 123.354 6.391 1
1 681 . 7 1 1 A 52 52 GLU H H 82 8.739 9.016 -0.277 1
1 682 . 7 1 1 A 52 52 GLU HA H 82 3.815 4.030 -0.215 1
1 687 . 7 1 1 A 52 52 GLU C C 82 178.591 178.495 0.096 1
1 688 . 7 1 1 A 52 52 GLU CA C 82 59.566 59.308 0.258 1
1 689 . 7 1 1 A 52 52 GLU CB C 82 29.774 29.215 0.559 1
1 691 . 7 1 1 A 52 52 GLU N N 82 121.424 119.580 1.844 1
1 692 . 7 1 1 A 53 53 ASP H H 83 8.511 8.433 0.078 1
1 693 . 7 1 1 A 53 53 ASP HA H 83 4.427 4.341 0.086 1
1 696 . 7 1 1 A 53 53 ASP C C 83 177.306 178.584 -1.278 1
1 697 . 7 1 1 A 53 53 ASP CA C 83 55.398 57.457 -2.059 1
1 698 . 7 1 1 A 53 53 ASP CB C 83 39.430 41.988 -2.558 1
1 699 . 7 1 1 A 53 53 ASP N N 83 114.043 119.960 -5.917 1
1 700 . 7 1 1 A 54 54 ARG H H 84 7.800 7.733 0.067 1
1 701 . 7 1 1 A 54 54 ARG HA H 84 4.527 4.079 0.448 1
1 710 . 7 1 1 A 54 54 ARG C C 84 176.966 178.929 -1.963 1
1 711 . 7 1 1 A 54 54 ARG CA C 84 55.915 59.180 -3.265 1
1 712 . 7 1 1 A 54 54 ARG CB C 84 31.804 29.721 2.083 1
1 715 . 7 1 1 A 54 54 ARG N N 84 118.147 119.097 -0.950 1
1 718 . 7 1 1 A 55 55 LYS H H 85 7.335 7.931 -0.596 1
1 719 . 7 1 1 A 55 55 LYS HA H 85 3.551 4.165 -0.614 1
1 728 . 7 1 1 A 55 55 LYS C C 85 178.113 177.396 0.717 1
1 729 . 7 1 1 A 55 55 LYS CA C 85 59.887 58.380 1.507 1
1 730 . 7 1 1 A 55 55 LYS CB C 85 32.935 32.202 0.733 1
1 734 . 7 1 1 A 55 55 LYS N N 85 116.576 118.482 -1.906 1
1 735 . 7 1 1 A 56 56 ASN H H 86 8.347 7.755 0.592 1
1 736 . 7 1 1 A 56 56 ASN HA H 86 4.886 4.992 -0.106 1
1 741 . 7 1 1 A 56 56 ASN C C 86 174.736 174.864 -0.128 1
1 742 . 7 1 1 A 56 56 ASN CA C 86 52.265 52.914 -0.649 1
1 743 . 7 1 1 A 56 56 ASN CB C 86 38.239 40.131 -1.892 1
1 745 . 7 1 1 A 56 56 ASN N N 86 114.341 115.809 -1.468 1
1 747 . 7 1 1 A 57 57 VAL H H 87 6.985 6.980 0.005 1
1 748 . 7 1 1 A 57 57 VAL HA H 87 3.746 4.430 -0.684 1
1 756 . 7 1 1 A 57 57 VAL C C 87 175.380 174.856 0.524 1
1 757 . 7 1 1 A 57 57 VAL CA C 87 63.723 61.209 2.514 1
1 758 . 7 1 1 A 57 57 VAL CB C 87 32.650 32.612 0.038 1
1 761 . 7 1 1 A 57 57 VAL N N 87 121.424 121.127 0.297 1
1 762 . 7 1 1 A 58 58 GLU H H 88 8.777 8.703 0.074 1
1 763 . 7 1 1 A 58 58 GLU HA H 88 4.339 4.573 -0.234 1
1 768 . 7 1 1 A 58 58 GLU C C 88 176.364 175.749 0.615 1
1 769 . 7 1 1 A 58 58 GLU CA C 88 56.085 56.249 -0.164 1
1 770 . 7 1 1 A 58 58 GLU CB C 88 29.861 30.071 -0.210 1
1 772 . 7 1 1 A 58 58 GLU N N 88 129.489 128.036 1.453 1
1 773 . 7 1 1 A 59 59 LEU H H 89 8.230 8.563 -0.333 1
1 774 . 7 1 1 A 59 59 LEU HA H 89 4.299 4.093 0.206 1
1 784 . 7 1 1 A 59 59 LEU C C 89 178.976 177.759 1.217 1
1 785 . 7 1 1 A 59 59 LEU CA C 89 54.651 55.933 -1.282 1
1 786 . 7 1 1 A 59 59 LEU CB C 89 42.596 41.914 0.682 1
1 790 . 7 1 1 A 59 59 LEU N N 89 124.395 126.737 -2.342 1
1 791 . 7 1 1 A 60 60 LEU H H 90 7.777 9.092 -1.315 1
1 792 . 7 1 1 A 60 60 LEU HA H 90 4.135 4.116 0.019 1
1 802 . 7 1 1 A 60 60 LEU C C 90 176.394 177.088 -0.694 1
1 803 . 7 1 1 A 60 60 LEU CA C 90 56.754 57.821 -1.067 1
1 804 . 7 1 1 A 60 60 LEU CB C 90 42.413 42.297 0.116 1
1 808 . 7 1 1 A 60 60 LEU N N 90 119.734 126.446 -6.712 1
1 809 . 7 1 1 A 61 61 GLY H H 91 7.224 7.823 -0.599 1
1 810 . 7 1 1 A 61 61 GLY HA2 H 91 4.165 4.053 0.112 1
1 811 . 7 1 1 A 61 61 GLY HA3 H 91 3.899 4.069 -0.170 1
1 812 . 7 1 1 A 61 61 GLY C C 91 171.742 172.776 -1.034 1
1 813 . 7 1 1 A 61 61 GLY CA C 91 44.969 45.118 -0.149 1
1 814 . 7 1 1 A 61 61 GLY N N 91 103.707 104.412 -0.705 1
1 815 . 7 1 1 A 62 62 LYS H H 92 8.771 8.389 0.382 1
1 816 . 7 1 1 A 62 62 LYS HA H 92 4.150 4.402 -0.252 1
1 825 . 7 1 1 A 62 62 LYS C C 92 177.522 175.909 1.613 1
1 826 . 7 1 1 A 62 62 LYS CA C 92 56.750 56.243 0.507 1
1 827 . 7 1 1 A 62 62 LYS CB C 92 33.835 33.289 0.546 1
1 831 . 7 1 1 A 62 62 LYS N N 92 118.635 121.017 -2.382 1
1 832 . 7 1 1 A 63 63 MET H H 93 9.188 8.448 0.740 1
1 833 . 7 1 1 A 63 63 MET HA H 93 3.835 4.550 -0.715 1
1 841 . 7 1 1 A 63 63 MET C C 93 173.913 175.711 -1.798 1
1 842 . 7 1 1 A 63 63 MET CA C 93 59.275 53.986 5.289 1
1 843 . 7 1 1 A 63 63 MET CB C 93 31.483 31.200 0.283 1
1 846 . 7 1 1 A 63 63 MET N N 93 123.413 124.535 -1.122 1
1 847 . 7 1 1 A 64 64 TYR H H 94 9.421 8.534 0.887 1
1 848 . 7 1 1 A 64 64 TYR HA H 94 4.767 4.214 0.553 1
1 855 . 7 1 1 A 64 64 TYR C C 94 173.918 174.943 -1.025 1
1 856 . 7 1 1 A 64 64 TYR CA C 94 56.933 61.565 -4.632 1
1 857 . 7 1 1 A 64 64 TYR CB C 94 40.020 39.128 0.892 1
1 860 . 7 1 1 A 64 64 TYR N N 94 129.403 126.504 2.899 1
1 861 . 7 1 1 A 65 65 LYS H H 95 7.289 7.757 -0.468 1
1 862 . 7 1 1 A 65 65 LYS HA H 95 4.688 4.758 -0.070 1
1 871 . 7 1 1 A 65 65 LYS C C 95 175.000 174.615 0.385 1
1 872 . 7 1 1 A 65 65 LYS CA C 95 55.841 54.605 1.236 1
1 873 . 7 1 1 A 65 65 LYS CB C 95 40.404 36.984 3.420 1
1 877 . 7 1 1 A 65 65 LYS N N 95 118.804 116.844 1.960 1
1 878 . 7 1 1 A 66 66 THR H H 96 8.727 8.115 0.612 1
1 879 . 7 1 1 A 66 66 THR HA H 96 5.149 5.046 0.103 1
1 885 . 7 1 1 A 66 66 THR C C 96 172.120 172.757 -0.637 1
1 886 . 7 1 1 A 66 66 THR CA C 96 62.226 60.467 1.759 1
1 887 . 7 1 1 A 66 66 THR CB C 96 71.787 71.940 -0.153 1
1 889 . 7 1 1 A 66 66 THR N N 96 116.235 115.097 1.138 1
1 890 . 7 1 1 A 67 67 TYR H H 97 8.969 8.913 0.056 1
1 891 . 7 1 1 A 67 67 TYR HA H 97 5.027 4.961 0.066 1
1 898 . 7 1 1 A 67 67 TYR C C 97 175.077 174.466 0.611 1
1 899 . 7 1 1 A 67 67 TYR CA C 97 57.278 56.527 0.751 1
1 900 . 7 1 1 A 67 67 TYR CB C 97 42.054 42.685 -0.631 1
1 903 . 7 1 1 A 67 67 TYR N N 97 125.256 123.844 1.412 1
1 904 . 7 1 1 A 68 68 PHE H H 98 9.189 8.896 0.293 1
1 905 . 7 1 1 A 68 68 PHE HA H 98 5.177 4.979 0.198 1
1 913 . 7 1 1 A 68 68 PHE C C 98 174.791 174.874 -0.083 1
1 914 . 7 1 1 A 68 68 PHE CA C 98 57.825 56.462 1.363 1
1 915 . 7 1 1 A 68 68 PHE CB C 98 42.377 42.954 -0.577 1
1 919 . 7 1 1 A 68 68 PHE N N 98 118.574 119.859 -1.285 1
1 920 . 7 1 1 A 69 69 PHE H H 99 8.976 9.355 -0.379 1
1 921 . 7 1 1 A 69 69 PHE HA H 99 4.893 5.199 -0.306 1
1 929 . 7 1 1 A 69 69 PHE C C 99 176.386 175.577 0.809 1
1 930 . 7 1 1 A 69 69 PHE CA C 99 56.777 56.289 0.488 1
1 931 . 7 1 1 A 69 69 PHE CB C 99 41.371 41.938 -0.567 1
1 935 . 7 1 1 A 69 69 PHE N N 99 119.573 121.234 -1.661 1
1 936 . 7 1 1 A 70 70 LYS H H 100 9.479 9.209 0.270 1
1 937 . 7 1 1 A 70 70 LYS HA H 100 4.533 4.608 -0.075 1
1 946 . 7 1 1 A 70 70 LYS C C 100 176.156 176.912 -0.756 1
1 947 . 7 1 1 A 70 70 LYS CA C 100 56.706 56.543 0.163 1
1 948 . 7 1 1 A 70 70 LYS CB C 100 33.667 33.284 0.383 1
1 952 . 7 1 1 A 70 70 LYS N N 100 125.614 124.226 1.388 1
1 953 . 7 1 1 A 71 71 LYS H H 101 8.068 8.632 -0.564 1
1 954 . 7 1 1 A 71 71 LYS HA H 101 4.188 3.907 0.281 1
1 963 . 7 1 1 A 71 71 LYS C C 101 177.655 177.615 0.040 1
1 964 . 7 1 1 A 71 71 LYS CA C 101 58.238 58.752 -0.514 1
1 965 . 7 1 1 A 71 71 LYS CB C 101 32.342 32.194 0.148 1
1 969 . 7 1 1 A 71 71 LYS N N 101 121.057 121.688 -0.631 1
1 970 . 7 1 1 A 72 72 GLY H H 102 8.899 9.112 -0.213 1
1 971 . 7 1 1 A 72 72 GLY HA2 H 102 4.196 4.012 0.184 1
1 972 . 7 1 1 A 72 72 GLY HA3 H 102 3.815 4.020 -0.205 1
1 973 . 7 1 1 A 72 72 GLY C C 102 173.997 174.423 -0.426 1
1 974 . 7 1 1 A 72 72 GLY CA C 102 45.802 44.999 0.803 1
1 975 . 7 1 1 A 72 72 GLY N N 102 114.112 112.875 1.237 1
1 976 . 7 1 1 A 73 73 GLU H H 103 8.047 8.164 -0.117 1
1 977 . 7 1 1 A 73 73 GLU HA H 103 4.764 4.412 0.352 1
1 982 . 7 1 1 A 73 73 GLU C C 103 175.975 176.925 -0.950 1
1 983 . 7 1 1 A 73 73 GLU CA C 103 56.295 57.289 -0.994 1
1 984 . 7 1 1 A 73 73 GLU CB C 103 31.153 30.996 0.157 1
1 986 . 7 1 1 A 73 73 GLU N N 103 119.538 121.244 -1.706 1
1 987 . 7 1 1 A 74 74 SER H H 104 8.742 8.824 -0.082 1
1 988 . 7 1 1 A 74 74 SER HA H 104 4.598 4.881 -0.283 1
1 991 . 7 1 1 A 74 74 SER C C 104 171.916 174.100 -2.184 1
1 992 . 7 1 1 A 74 74 SER CA C 104 58.363 57.149 1.214 1
1 993 . 7 1 1 A 74 74 SER CB C 104 64.025 64.680 -0.655 1
1 994 . 7 1 1 A 74 74 SER N N 104 115.383 113.293 2.090 1
1 995 . 7 1 1 A 75 75 LYS H H 105 7.608 7.585 0.023 1
1 996 . 7 1 1 A 75 75 LYS HA H 105 5.588 5.237 0.351 1
1 1005 . 7 1 1 A 75 75 LYS C C 105 176.017 174.764 1.253 1
1 1006 . 7 1 1 A 75 75 LYS CA C 105 54.548 55.347 -0.799 1
1 1007 . 7 1 1 A 75 75 LYS CB C 105 35.211 36.124 -0.913 1
1 1011 . 7 1 1 A 75 75 LYS N N 105 121.040 123.489 -2.449 1
1 1012 . 7 1 1 A 76 76 SER H H 106 8.231 8.971 -0.740 1
1 1013 . 7 1 1 A 76 76 SER HA H 106 3.377 4.110 -0.733 1
1 1016 . 7 1 1 A 76 76 SER C C 106 172.571 174.980 -2.409 1
1 1017 . 7 1 1 A 76 76 SER CA C 106 59.650 57.787 1.863 1
1 1018 . 7 1 1 A 76 76 SER CB C 106 64.857 62.785 2.072 1
1 1019 . 7 1 1 A 76 76 SER N N 106 121.783 118.455 3.328 1
1 1020 . 7 1 1 A 77 77 SER H H 107 8.333 8.610 -0.277 1
1 1021 . 7 1 1 A 77 77 SER HA H 107 5.025 4.455 0.570 1
1 1024 . 7 1 1 A 77 77 SER C C 107 174.507 173.482 1.025 1
1 1025 . 7 1 1 A 77 77 SER CA C 107 57.561 60.116 -2.555 1
1 1026 . 7 1 1 A 77 77 SER CB C 107 65.330 64.306 1.024 1
1 1027 . 7 1 1 A 77 77 SER N N 107 106.276 118.397 -12.121 1
1 1028 . 7 1 1 A 78 78 TYR H H 108 7.825 7.381 0.444 1
1 1029 . 7 1 1 A 78 78 TYR HA H 108 4.754 4.770 -0.016 1
1 1036 . 7 1 1 A 78 78 TYR C C 108 171.725 173.548 -1.823 1
1 1037 . 7 1 1 A 78 78 TYR CA C 108 57.778 56.751 1.027 1
1 1038 . 7 1 1 A 78 78 TYR CB C 108 43.223 41.869 1.354 1
1 1041 . 7 1 1 A 78 78 TYR N N 108 126.289 119.646 6.643 1
1 1042 . 7 1 1 A 79 79 VAL H H 109 7.760 8.454 -0.694 1
1 1043 . 7 1 1 A 79 79 VAL HA H 109 5.215 4.863 0.352 1
1 1051 . 7 1 1 A 79 79 VAL C C 109 172.526 174.230 -1.704 1
1 1052 . 7 1 1 A 79 79 VAL CA C 109 59.193 59.133 0.060 1
1 1053 . 7 1 1 A 79 79 VAL CB C 109 36.173 35.890 0.283 1
1 1056 . 7 1 1 A 79 79 VAL N N 109 127.825 121.292 6.533 1
1 1057 . 7 1 1 A 80 80 ILE H H 110 8.616 8.384 0.232 1
1 1058 . 7 1 1 A 80 80 ILE HA H 110 4.011 4.533 -0.522 1
1 1068 . 7 1 1 A 80 80 ILE C C 110 174.690 174.659 0.031 1
1 1069 . 7 1 1 A 80 80 ILE CA C 110 60.922 59.596 1.326 1
1 1070 . 7 1 1 A 80 80 ILE CB C 110 42.047 42.339 -0.292 1
1 1074 . 7 1 1 A 80 80 ILE N N 110 124.001 120.956 3.045 1
1 1075 . 7 1 1 A 81 81 ASN H H 111 8.937 8.885 0.052 1
1 1076 . 7 1 1 A 81 81 ASN HA H 111 4.760 5.576 -0.816 1
1 1081 . 7 1 1 A 81 81 ASN C C 111 175.326 174.661 0.665 1
1 1082 . 7 1 1 A 81 81 ASN CA C 111 53.600 51.331 2.269 1
1 1083 . 7 1 1 A 81 81 ASN CB C 111 40.412 42.103 -1.691 1
1 1085 . 7 1 1 A 81 81 ASN N N 111 126.229 123.339 2.890 1
1 1087 . 7 1 1 A 82 82 GLY H H 112 7.984 8.337 -0.353 1
1 1088 . 7 1 1 A 82 82 GLY HA2 H 112 4.457 4.328 0.129 1
1 1089 . 7 1 1 A 82 82 GLY HA3 H 112 3.847 4.339 -0.492 1
1 1090 . 7 1 1 A 82 82 GLY C C 112 171.875 172.640 -0.765 1
1 1091 . 7 1 1 A 82 82 GLY CA C 112 43.303 45.509 -2.206 1
1 1092 . 7 1 1 A 82 82 GLY N N 112 110.894 106.642 4.252 1
1 1093 . 7 1 1 A 83 83 PRO HA H 113 4.609 4.809 -0.200 1
1 1100 . 7 1 1 A 83 83 PRO C C 113 178.327 177.585 0.742 1
1 1101 . 7 1 1 A 83 83 PRO CA C 113 63.342 62.852 0.490 1
1 1102 . 7 1 1 A 83 83 PRO CB C 113 32.232 31.962 0.270 1
1 1105 . 7 1 1 A 84 84 GLY H H 114 8.939 8.748 0.191 1
1 1106 . 7 1 1 A 84 84 GLY HA2 H 114 4.055 3.971 0.084 1
1 1107 . 7 1 1 A 84 84 GLY HA3 H 114 3.192 4.031 -0.839 1
1 1108 . 7 1 1 A 84 84 GLY C C 114 172.587 175.024 -2.437 1
1 1109 . 7 1 1 A 84 84 GLY CA C 114 44.667 45.353 -0.686 1
1 1110 . 7 1 1 A 84 84 GLY N N 114 109.324 111.493 -2.169 1
1 1111 . 7 1 1 A 85 85 LYS H H 115 9.550 8.244 1.306 1
1 1112 . 7 1 1 A 85 85 LYS HA H 115 4.527 3.952 0.575 1
1 1121 . 7 1 1 A 85 85 LYS C C 115 175.690 174.628 1.062 1
1 1122 . 7 1 1 A 85 85 LYS CA C 115 56.251 57.624 -1.373 1
1 1123 . 7 1 1 A 85 85 LYS CB C 115 34.217 32.238 1.979 1
1 1127 . 7 1 1 A 85 85 LYS N N 115 119.240 119.932 -0.692 1
1 1128 . 7 1 1 A 86 86 THR H H 116 7.327 7.498 -0.171 1
1 1129 . 7 1 1 A 86 86 THR HA H 116 3.572 4.006 -0.434 1
1 1134 . 7 1 1 A 86 86 THR C C 116 170.519 172.379 -1.860 1
1 1135 . 7 1 1 A 86 86 THR CA C 116 59.094 60.120 -1.026 1
1 1136 . 7 1 1 A 86 86 THR CB C 116 68.191 69.548 -1.357 1
1 1138 . 7 1 1 A 86 86 THR N N 116 113.403 111.477 1.926 1
1 1139 . 7 1 1 A 87 87 ASN H H 117 8.035 8.531 -0.496 1
1 1140 . 7 1 1 A 87 87 ASN HA H 117 4.914 5.026 -0.112 1
1 1145 . 7 1 1 A 87 87 ASN C C 117 175.798 174.457 1.341 1
1 1146 . 7 1 1 A 87 87 ASN CA C 117 52.062 54.034 -1.972 1
1 1147 . 7 1 1 A 87 87 ASN CB C 117 40.563 39.004 1.559 1
1 1149 . 7 1 1 A 87 87 ASN N N 117 118.907 121.941 -3.034 1
1 1151 . 7 1 1 A 88 88 GLU H H 118 8.362 7.785 0.577 1
1 1152 . 7 1 1 A 88 88 GLU HA H 118 4.116 4.607 -0.491 1
1 1157 . 7 1 1 A 88 88 GLU C C 118 175.935 176.542 -0.607 1
1 1158 . 7 1 1 A 88 88 GLU CA C 118 55.589 54.993 0.596 1
1 1159 . 7 1 1 A 88 88 GLU CB C 118 29.435 30.519 -1.084 1
1 1161 . 7 1 1 A 88 88 GLU N N 118 119.547 119.204 0.343 1
1 1162 . 7 1 1 A 89 89 TYR H H 119 7.918 9.273 -1.355 1
1 1163 . 7 1 1 A 89 89 TYR HA H 119 4.639 4.351 0.288 1
1 1170 . 7 1 1 A 89 89 TYR C C 119 175.750 174.839 0.911 1
1 1171 . 7 1 1 A 89 89 TYR CA C 119 59.270 59.011 0.259 1
1 1172 . 7 1 1 A 89 89 TYR CB C 119 38.274 37.216 1.058 1
1 1175 . 7 1 1 A 89 89 TYR N N 119 118.293 124.326 -6.033 1
1 1176 . 7 1 1 A 90 90 ALA H H 120 8.285 8.443 -0.158 1
1 1177 . 7 1 1 A 90 90 ALA HA H 120 4.273 3.991 0.282 1
1 1181 . 7 1 1 A 90 90 ALA C C 120 175.773 175.756 0.017 1
1 1182 . 7 1 1 A 90 90 ALA CA C 120 52.014 53.231 -1.217 1
1 1183 . 7 1 1 A 90 90 ALA CB C 120 19.920 17.407 2.513 1
1 1184 . 7 1 1 A 90 90 ALA N N 120 126.212 117.109 9.103 1
1 11 . 8 1 1 A 2 2 SER HA H 32 4.469 4.649 -0.180 1
1 14 . 8 1 1 A 2 2 SER C C 32 174.865 175.644 -0.779 1
1 15 . 8 1 1 A 2 2 SER CA C 32 58.680 57.629 1.051 1
1 16 . 8 1 1 A 2 2 SER CB C 32 63.805 65.286 -1.481 1
1 17 . 8 1 1 A 3 3 GLY H H 33 8.513 7.929 0.584 1
1 18 . 8 1 1 A 3 3 GLY HA2 H 33 3.972 4.098 -0.126 1
1 19 . 8 1 1 A 3 3 GLY HA3 H 33 3.972 4.101 -0.129 1
1 20 . 8 1 1 A 3 3 GLY C C 33 173.735 173.266 0.469 1
1 21 . 8 1 1 A 3 3 GLY CA C 33 45.132 45.458 -0.326 1
1 22 . 8 1 1 A 3 3 GLY N N 33 110.526 108.837 1.689 1
1 23 . 8 1 1 A 4 4 LEU H H 34 8.145 7.463 0.682 1
1 24 . 8 1 1 A 4 4 LEU HA H 34 4.599 4.937 -0.338 1
1 34 . 8 1 1 A 4 4 LEU C C 34 175.201 173.837 1.364 1
1 35 . 8 1 1 A 4 4 LEU CA C 34 53.002 51.824 1.178 1
1 36 . 8 1 1 A 4 4 LEU CB C 34 41.772 45.532 -3.760 1
1 40 . 8 1 1 A 4 4 LEU N N 34 122.423 120.438 1.985 1
1 41 . 8 1 1 A 5 5 PRO HA H 35 4.551 4.679 -0.128 1
1 48 . 8 1 1 A 5 5 PRO C C 35 176.487 176.161 0.326 1
1 49 . 8 1 1 A 5 5 PRO CA C 35 62.771 62.834 -0.063 1
1 50 . 8 1 1 A 5 5 PRO CB C 35 32.488 33.157 -0.669 1
1 53 . 8 1 1 A 6 6 THR H H 36 8.447 8.400 0.047 1
1 54 . 8 1 1 A 6 6 THR HA H 36 4.445 4.496 -0.051 1
1 59 . 8 1 1 A 6 6 THR C C 36 174.231 174.163 0.068 1
1 60 . 8 1 1 A 6 6 THR CA C 36 61.727 62.151 -0.424 1
1 61 . 8 1 1 A 6 6 THR CB C 36 69.213 70.990 -1.777 1
1 63 . 8 1 1 A 6 6 THR N N 36 111.916 114.652 -2.736 1
1 64 . 8 1 1 A 7 7 THR H H 37 7.303 7.665 -0.362 1
1 65 . 8 1 1 A 7 7 THR HA H 37 5.232 4.590 0.642 1
1 70 . 8 1 1 A 7 7 THR C C 37 175.848 175.302 0.546 1
1 71 . 8 1 1 A 7 7 THR CA C 37 58.599 60.750 -2.151 1
1 72 . 8 1 1 A 7 7 THR CB C 37 71.971 69.886 2.085 1
1 74 . 8 1 1 A 7 7 THR N N 37 110.288 112.719 -2.431 1
1 75 . 8 1 1 A 8 8 LEU H H 38 9.065 8.885 0.180 1
1 76 . 8 1 1 A 8 8 LEU HA H 38 3.829 3.889 -0.060 1
1 86 . 8 1 1 A 8 8 LEU C C 38 177.964 179.074 -1.110 1
1 87 . 8 1 1 A 8 8 LEU CA C 38 57.613 58.156 -0.543 1
1 88 . 8 1 1 A 8 8 LEU CB C 38 41.058 41.440 -0.382 1
1 92 . 8 1 1 A 8 8 LEU N N 38 122.441 124.712 -2.271 1
1 93 . 8 1 1 A 9 9 GLY H H 39 8.753 7.818 0.935 1
1 94 . 8 1 1 A 9 9 GLY HA2 H 39 3.969 3.795 0.174 1
1 95 . 8 1 1 A 9 9 GLY HA3 H 39 3.769 3.796 -0.027 1
1 96 . 8 1 1 A 9 9 GLY C C 39 176.615 176.101 0.514 1
1 97 . 8 1 1 A 9 9 GLY CA C 39 47.314 47.135 0.179 1
1 98 . 8 1 1 A 9 9 GLY N N 39 104.356 106.398 -2.042 1
1 99 . 8 1 1 A 10 10 LYS H H 40 7.341 7.778 -0.437 1
1 100 . 8 1 1 A 10 10 LYS HA H 40 4.241 4.009 0.232 1
1 109 . 8 1 1 A 10 10 LYS C C 40 179.292 179.352 -0.060 1
1 110 . 8 1 1 A 10 10 LYS CA C 40 58.108 59.319 -1.211 1
1 111 . 8 1 1 A 10 10 LYS CB C 40 32.346 32.080 0.266 1
1 115 . 8 1 1 A 10 10 LYS N N 40 120.741 122.406 -1.665 1
1 116 . 8 1 1 A 11 11 LEU H H 41 8.033 8.064 -0.031 1
1 117 . 8 1 1 A 11 11 LEU HA H 41 4.059 4.067 -0.008 1
1 127 . 8 1 1 A 11 11 LEU C C 41 177.253 178.037 -0.784 1
1 128 . 8 1 1 A 11 11 LEU CA C 41 57.978 57.861 0.117 1
1 129 . 8 1 1 A 11 11 LEU CB C 41 41.760 41.565 0.195 1
1 133 . 8 1 1 A 11 11 LEU N N 41 121.501 121.336 0.165 1
1 134 . 8 1 1 A 12 12 ASP H H 42 9.025 8.498 0.527 1
1 135 . 8 1 1 A 12 12 ASP HA H 42 4.045 4.303 -0.258 1
1 138 . 8 1 1 A 12 12 ASP C C 42 176.536 178.334 -1.798 1
1 139 . 8 1 1 A 12 12 ASP CA C 42 58.740 57.970 0.770 1
1 140 . 8 1 1 A 12 12 ASP CB C 42 44.783 42.071 2.712 1
1 141 . 8 1 1 A 12 12 ASP N N 42 119.776 119.142 0.634 1
1 142 . 8 1 1 A 13 13 GLU H H 43 7.253 8.228 -0.975 1
1 143 . 8 1 1 A 13 13 GLU HA H 43 3.869 4.083 -0.214 1
1 148 . 8 1 1 A 13 13 GLU C C 43 178.916 179.157 -0.241 1
1 149 . 8 1 1 A 13 13 GLU CA C 43 59.511 59.614 -0.103 1
1 150 . 8 1 1 A 13 13 GLU CB C 43 30.131 29.095 1.036 1
1 152 . 8 1 1 A 13 13 GLU N N 43 116.304 119.037 -2.733 1
1 153 . 8 1 1 A 14 14 ARG H H 44 7.234 8.110 -0.876 1
1 154 . 8 1 1 A 14 14 ARG HA H 44 3.920 4.179 -0.259 1
1 163 . 8 1 1 A 14 14 ARG C C 44 177.609 178.931 -1.322 1
1 164 . 8 1 1 A 14 14 ARG CA C 44 58.607 58.625 -0.018 1
1 165 . 8 1 1 A 14 14 ARG CB C 44 30.304 29.781 0.523 1
1 168 . 8 1 1 A 14 14 ARG N N 44 118.267 120.675 -2.408 1
1 171 . 8 1 1 A 15 15 LEU H H 45 8.734 8.806 -0.072 1
1 172 . 8 1 1 A 15 15 LEU HA H 45 3.809 4.178 -0.369 1
1 182 . 8 1 1 A 15 15 LEU C C 45 179.204 179.460 -0.256 1
1 183 . 8 1 1 A 15 15 LEU CA C 45 58.248 57.876 0.372 1
1 184 . 8 1 1 A 15 15 LEU CB C 45 42.076 41.414 0.662 1
1 188 . 8 1 1 A 15 15 LEU N N 45 117.856 119.647 -1.791 1
1 189 . 8 1 1 A 16 16 ARG H H 46 8.280 8.460 -0.180 1
1 190 . 8 1 1 A 16 16 ARG HA H 46 3.863 4.151 -0.288 1
1 200 . 8 1 1 A 16 16 ARG C C 46 179.432 179.278 0.154 1
1 201 . 8 1 1 A 16 16 ARG CA C 46 60.779 59.215 1.564 1
1 202 . 8 1 1 A 16 16 ARG CB C 46 29.824 29.617 0.207 1
1 205 . 8 1 1 A 16 16 ARG N N 46 115.954 119.618 -3.664 1
1 209 . 8 1 1 A 17 17 ASN H H 47 7.433 8.160 -0.727 1
1 210 . 8 1 1 A 17 17 ASN HA H 47 4.458 4.456 0.002 1
1 215 . 8 1 1 A 17 17 ASN C C 47 177.657 177.816 -0.159 1
1 216 . 8 1 1 A 17 17 ASN CA C 47 56.297 56.492 -0.195 1
1 217 . 8 1 1 A 17 17 ASN CB C 47 38.540 38.944 -0.404 1
1 219 . 8 1 1 A 17 17 ASN N N 47 118.514 118.314 0.200 1
1 221 . 8 1 1 A 18 18 TYR H H 48 8.945 8.637 0.308 1
1 222 . 8 1 1 A 18 18 TYR HA H 48 4.184 4.326 -0.142 1
1 229 . 8 1 1 A 18 18 TYR C C 48 177.806 178.348 -0.542 1
1 230 . 8 1 1 A 18 18 TYR CA C 48 58.651 60.904 -2.253 1
1 231 . 8 1 1 A 18 18 TYR CB C 48 36.527 37.510 -0.983 1
1 234 . 8 1 1 A 18 18 TYR N N 48 121.714 119.088 2.626 1
1 235 . 8 1 1 A 19 19 LEU H H 49 8.293 8.158 0.135 1
1 236 . 8 1 1 A 19 19 LEU HA H 49 3.410 3.666 -0.256 1
1 246 . 8 1 1 A 19 19 LEU C C 49 179.153 179.165 -0.012 1
1 247 . 8 1 1 A 19 19 LEU CA C 49 57.822 57.968 -0.146 1
1 248 . 8 1 1 A 19 19 LEU CB C 49 41.929 41.317 0.612 1
1 252 . 8 1 1 A 19 19 LEU N N 49 119.284 120.581 -1.297 1
1 253 . 8 1 1 A 20 20 LYS H H 50 7.322 7.695 -0.373 1
1 254 . 8 1 1 A 20 20 LYS HA H 50 3.893 3.941 -0.048 1
1 263 . 8 1 1 A 20 20 LYS C C 50 177.980 179.895 -1.915 1
1 264 . 8 1 1 A 20 20 LYS CA C 50 59.104 60.150 -1.046 1
1 265 . 8 1 1 A 20 20 LYS CB C 50 32.348 32.061 0.287 1
1 269 . 8 1 1 A 20 20 LYS N N 50 117.005 117.219 -0.214 1
1 270 . 8 1 1 A 21 21 LYS H H 51 7.435 8.254 -0.819 1
1 271 . 8 1 1 A 21 21 LYS HA H 51 4.080 4.007 0.073 1
1 280 . 8 1 1 A 21 21 LYS C C 51 178.971 178.201 0.770 1
1 281 . 8 1 1 A 21 21 LYS CA C 51 57.418 59.025 -1.607 1
1 282 . 8 1 1 A 21 21 LYS CB C 51 32.675 32.197 0.478 1
1 286 . 8 1 1 A 21 21 LYS N N 51 115.946 119.916 -3.970 1
1 287 . 8 1 1 A 22 22 GLY H H 52 8.290 7.707 0.583 1
1 288 . 8 1 1 A 22 22 GLY HA2 H 52 3.897 4.067 -0.170 1
1 289 . 8 1 1 A 22 22 GLY HA3 H 52 4.181 4.141 0.040 1
1 290 . 8 1 1 A 22 22 GLY C C 52 173.610 173.615 -0.005 1
1 291 . 8 1 1 A 22 22 GLY CA C 52 45.088 45.302 -0.214 1
1 292 . 8 1 1 A 22 22 GLY N N 52 105.432 107.408 -1.976 1
1 293 . 8 1 1 A 23 23 THR H H 53 7.148 7.378 -0.230 1
1 294 . 8 1 1 A 23 23 THR HA H 53 4.838 4.626 0.212 1
1 300 . 8 1 1 A 23 23 THR C C 53 174.444 174.667 -0.223 1
1 301 . 8 1 1 A 23 23 THR CA C 53 59.766 59.290 0.476 1
1 302 . 8 1 1 A 23 23 THR CB C 53 72.471 71.668 0.803 1
1 304 . 8 1 1 A 23 23 THR N N 53 107.608 111.917 -4.309 1
1 305 . 8 1 1 A 24 24 LYS H H 54 8.414 8.388 0.026 1
1 306 . 8 1 1 A 24 24 LYS HA H 54 4.355 4.120 0.235 1
1 315 . 8 1 1 A 24 24 LYS C C 54 177.632 176.830 0.802 1
1 316 . 8 1 1 A 24 24 LYS CA C 54 57.393 58.261 -0.868 1
1 317 . 8 1 1 A 24 24 LYS CB C 54 32.806 32.873 -0.067 1
1 321 . 8 1 1 A 24 24 LYS N N 54 118.924 120.272 -1.348 1
1 322 . 8 1 1 A 25 25 ASN H H 55 7.823 7.874 -0.051 1
1 323 . 8 1 1 A 25 25 ASN HA H 55 4.992 4.944 0.048 1
1 328 . 8 1 1 A 25 25 ASN C C 55 174.882 175.212 -0.330 1
1 329 . 8 1 1 A 25 25 ASN CA C 55 51.540 52.644 -1.104 1
1 330 . 8 1 1 A 25 25 ASN CB C 55 38.209 40.411 -2.202 1
1 332 . 8 1 1 A 25 25 ASN N N 55 116.576 115.705 0.871 1
1 334 . 8 1 1 A 26 26 SER H H 56 8.557 9.164 -0.607 1
1 335 . 8 1 1 A 26 26 SER HA H 56 4.145 4.563 -0.418 1
1 338 . 8 1 1 A 26 26 SER C C 56 176.886 175.307 1.579 1
1 339 . 8 1 1 A 26 26 SER CA C 56 61.051 60.528 0.523 1
1 340 . 8 1 1 A 26 26 SER CB C 56 62.398 63.288 -0.890 1
1 341 . 8 1 1 A 26 26 SER N N 56 118.968 121.039 -2.071 1
1 342 . 8 1 1 A 27 27 ALA H H 57 8.133 7.669 0.464 1
1 343 . 8 1 1 A 27 27 ALA HA H 57 4.277 4.235 0.042 1
1 347 . 8 1 1 A 27 27 ALA C C 57 177.779 178.046 -0.267 1
1 348 . 8 1 1 A 27 27 ALA CA C 57 54.020 53.412 0.608 1
1 349 . 8 1 1 A 27 27 ALA CB C 57 18.258 17.982 0.276 1
1 350 . 8 1 1 A 27 27 ALA N N 57 125.334 124.072 1.262 1
1 351 . 8 1 1 A 28 28 GLN H H 58 7.113 8.253 -1.140 1
1 352 . 8 1 1 A 28 28 GLN HA H 58 4.262 4.304 -0.042 1
1 359 . 8 1 1 A 28 28 GLN C C 58 174.984 175.491 -0.507 1
1 360 . 8 1 1 A 28 28 GLN CA C 58 56.272 55.254 1.018 1
1 361 . 8 1 1 A 28 28 GLN CB C 58 28.627 28.705 -0.078 1
1 364 . 8 1 1 A 28 28 GLN N N 58 112.472 115.288 -2.816 1
1 366 . 8 1 1 A 29 29 PHE H H 59 7.361 7.360 0.001 1
1 367 . 8 1 1 A 29 29 PHE HA H 59 4.622 4.734 -0.112 1
1 375 . 8 1 1 A 29 29 PHE C C 59 173.987 175.671 -1.684 1
1 376 . 8 1 1 A 29 29 PHE CA C 59 59.534 58.630 0.904 1
1 377 . 8 1 1 A 29 29 PHE CB C 59 38.939 40.561 -1.622 1
1 381 . 8 1 1 A 29 29 PHE N N 59 118.258 119.761 -1.503 1
1 382 . 8 1 1 A 30 30 GLU H H 60 9.228 9.584 -0.356 1
1 383 . 8 1 1 A 30 30 GLU HA H 60 4.479 4.653 -0.174 1
1 388 . 8 1 1 A 30 30 GLU C C 60 176.282 175.863 0.419 1
1 389 . 8 1 1 A 30 30 GLU CA C 60 57.063 57.415 -0.352 1
1 390 . 8 1 1 A 30 30 GLU CB C 60 33.512 32.745 0.767 1
1 392 . 8 1 1 A 30 30 GLU N N 60 125.247 124.535 0.712 1
1 393 . 8 1 1 A 31 31 LYS H H 61 7.998 7.622 0.376 1
1 394 . 8 1 1 A 31 31 LYS HA H 61 5.074 4.597 0.477 1
1 403 . 8 1 1 A 31 31 LYS C C 61 172.325 174.403 -2.078 1
1 404 . 8 1 1 A 31 31 LYS CA C 61 54.881 54.912 -0.031 1
1 405 . 8 1 1 A 31 31 LYS CB C 61 35.683 35.179 0.504 1
1 409 . 8 1 1 A 31 31 LYS N N 61 113.709 115.933 -2.224 1
1 410 . 8 1 1 A 32 32 MET H H 62 9.051 8.955 0.096 1
1 411 . 8 1 1 A 32 32 MET HA H 62 5.630 5.377 0.253 1
1 419 . 8 1 1 A 32 32 MET C C 62 172.898 173.995 -1.097 1
1 420 . 8 1 1 A 32 32 MET CA C 62 53.043 53.095 -0.052 1
1 421 . 8 1 1 A 32 32 MET CB C 62 35.214 35.773 -0.559 1
1 424 . 8 1 1 A 32 32 MET N N 62 118.635 118.130 0.505 1
1 425 . 8 1 1 A 33 33 VAL H H 63 9.186 8.527 0.659 1
1 426 . 8 1 1 A 33 33 VAL HA H 63 4.700 4.832 -0.132 1
1 434 . 8 1 1 A 33 33 VAL C C 63 174.133 173.539 0.594 1
1 435 . 8 1 1 A 33 33 VAL CA C 63 61.351 59.887 1.464 1
1 436 . 8 1 1 A 33 33 VAL CB C 63 34.651 35.349 -0.698 1
1 439 . 8 1 1 A 33 33 VAL N N 63 122.441 118.772 3.669 1
1 440 . 8 1 1 A 34 34 ILE H H 64 9.244 8.939 0.305 1
1 441 . 8 1 1 A 34 34 ILE HA H 64 4.302 4.890 -0.588 1
1 451 . 8 1 1 A 34 34 ILE C C 64 174.924 174.535 0.389 1
1 452 . 8 1 1 A 34 34 ILE CA C 64 60.422 59.679 0.743 1
1 453 . 8 1 1 A 34 34 ILE CB C 64 41.255 40.887 0.368 1
1 457 . 8 1 1 A 34 34 ILE N N 64 127.876 128.015 -0.139 1
1 458 . 8 1 1 A 35 35 LEU H H 65 9.117 9.256 -0.139 1
1 459 . 8 1 1 A 35 35 LEU HA H 65 5.531 5.601 -0.070 1
1 469 . 8 1 1 A 35 35 LEU C C 65 178.538 176.227 2.311 1
1 470 . 8 1 1 A 35 35 LEU CA C 65 53.047 53.264 -0.217 1
1 471 . 8 1 1 A 35 35 LEU CB C 65 43.797 44.579 -0.782 1
1 475 . 8 1 1 A 35 35 LEU N N 65 125.572 127.331 -1.759 1
1 476 . 8 1 1 A 36 36 THR H H 66 8.634 8.895 -0.261 1
1 477 . 8 1 1 A 36 36 THR HA H 66 5.212 5.177 0.035 1
1 482 . 8 1 1 A 36 36 THR C C 66 174.918 174.246 0.672 1
1 483 . 8 1 1 A 36 36 THR CA C 66 59.374 59.592 -0.218 1
1 484 . 8 1 1 A 36 36 THR CB C 66 72.100 71.571 0.529 1
1 486 . 8 1 1 A 36 36 THR N N 66 112.840 114.877 -2.037 1
1 487 . 8 1 1 A 37 37 GLU H H 67 8.580 8.879 -0.299 1
1 488 . 8 1 1 A 37 37 GLU HA H 67 4.469 3.992 0.477 1
1 493 . 8 1 1 A 37 37 GLU C C 67 177.333 176.835 0.498 1
1 494 . 8 1 1 A 37 37 GLU CA C 67 57.348 56.095 1.253 1
1 495 . 8 1 1 A 37 37 GLU CB C 67 31.357 30.525 0.832 1
1 497 . 8 1 1 A 37 37 GLU N N 67 118.675 121.514 -2.839 1
1 498 . 8 1 1 A 38 38 ASN H H 68 8.580 8.956 -0.376 1
1 499 . 8 1 1 A 38 38 ASN HA H 68 3.768 4.080 -0.312 1
1 504 . 8 1 1 A 38 38 ASN C C 68 172.921 174.392 -1.471 1
1 505 . 8 1 1 A 38 38 ASN CA C 68 54.686 54.328 0.358 1
1 506 . 8 1 1 A 38 38 ASN CB C 68 36.511 37.255 -0.744 1
1 508 . 8 1 1 A 38 38 ASN N N 68 114.341 116.363 -2.022 1
1 510 . 8 1 1 A 39 39 LYS H H 69 7.891 8.212 -0.321 1
1 511 . 8 1 1 A 39 39 LYS HA H 69 3.936 3.741 0.195 1
1 520 . 8 1 1 A 39 39 LYS C C 69 177.032 176.128 0.904 1
1 521 . 8 1 1 A 39 39 LYS CA C 69 56.758 57.297 -0.539 1
1 522 . 8 1 1 A 39 39 LYS CB C 69 28.099 29.390 -1.291 1
1 526 . 8 1 1 A 39 39 LYS N N 69 107.932 109.822 -1.890 1
1 527 . 8 1 1 A 40 40 GLY H H 70 6.998 7.760 -0.762 1
1 528 . 8 1 1 A 40 40 GLY HA2 H 70 4.362 3.879 0.483 1
1 529 . 8 1 1 A 40 40 GLY HA3 H 70 3.875 4.031 -0.156 1
1 530 . 8 1 1 A 40 40 GLY C C 70 173.763 172.112 1.651 1
1 531 . 8 1 1 A 40 40 GLY CA C 70 46.628 45.816 0.812 1
1 532 . 8 1 1 A 40 40 GLY N N 70 107.011 107.550 -0.539 1
1 533 . 8 1 1 A 41 41 TYR H H 71 7.679 8.438 -0.759 1
1 534 . 8 1 1 A 41 41 TYR HA H 71 5.097 5.361 -0.264 1
1 541 . 8 1 1 A 41 41 TYR C C 71 174.452 172.812 1.640 1
1 542 . 8 1 1 A 41 41 TYR CA C 71 57.730 56.516 1.214 1
1 543 . 8 1 1 A 41 41 TYR CB C 71 40.474 41.943 -1.469 1
1 546 . 8 1 1 A 41 41 TYR N N 71 129.822 123.576 6.246 1
1 547 . 8 1 1 A 42 42 TYR H H 72 9.101 8.555 0.546 1
1 548 . 8 1 1 A 42 42 TYR HA H 72 4.875 4.990 -0.115 1
1 555 . 8 1 1 A 42 42 TYR C C 72 174.448 174.611 -0.163 1
1 556 . 8 1 1 A 42 42 TYR CA C 72 56.114 56.637 -0.523 1
1 557 . 8 1 1 A 42 42 TYR CB C 72 41.115 42.468 -1.353 1
1 560 . 8 1 1 A 42 42 TYR N N 72 126.527 126.144 0.383 1
1 561 . 8 1 1 A 43 43 THR H H 73 9.022 8.863 0.159 1
1 562 . 8 1 1 A 43 43 THR HA H 73 4.876 4.971 -0.095 1
1 567 . 8 1 1 A 43 43 THR C C 73 174.791 173.501 1.290 1
1 568 . 8 1 1 A 43 43 THR CA C 73 62.821 61.728 1.093 1
1 569 . 8 1 1 A 43 43 THR CB C 73 68.769 70.793 -2.024 1
1 571 . 8 1 1 A 43 43 THR N N 73 120.810 118.344 2.466 1
1 572 . 8 1 1 A 44 44 VAL H H 74 9.233 8.903 0.330 1
1 573 . 8 1 1 A 44 44 VAL HA H 74 4.427 4.598 -0.171 1
1 581 . 8 1 1 A 44 44 VAL C C 74 175.094 174.762 0.332 1
1 582 . 8 1 1 A 44 44 VAL CA C 74 61.457 61.126 0.331 1
1 583 . 8 1 1 A 44 44 VAL CB C 74 35.669 35.209 0.460 1
1 586 . 8 1 1 A 44 44 VAL N N 74 129.156 124.581 4.575 1
1 587 . 8 1 1 A 45 45 TYR H H 75 9.384 8.922 0.462 1
1 588 . 8 1 1 A 45 45 TYR HA H 75 4.528 4.604 -0.076 1
1 595 . 8 1 1 A 45 45 TYR C C 75 176.497 175.863 0.634 1
1 596 . 8 1 1 A 45 45 TYR CA C 75 59.843 58.898 0.945 1
1 597 . 8 1 1 A 45 45 TYR CB C 75 38.245 39.358 -1.113 1
1 600 . 8 1 1 A 45 45 TYR N N 75 128.465 127.298 1.167 1
1 601 . 8 1 1 A 46 46 LEU H H 76 8.524 9.169 -0.645 1
1 602 . 8 1 1 A 46 46 LEU HA H 76 4.528 4.644 -0.116 1
1 612 . 8 1 1 A 46 46 LEU C C 76 177.001 178.368 -1.367 1
1 613 . 8 1 1 A 46 46 LEU CA C 76 55.010 54.528 0.482 1
1 614 . 8 1 1 A 46 46 LEU CB C 76 42.094 42.654 -0.560 1
1 618 . 8 1 1 A 46 46 LEU N N 76 119.547 124.382 -4.835 1
1 619 . 8 1 1 A 47 47 ASN H H 77 8.599 7.959 0.640 1
1 620 . 8 1 1 A 47 47 ASN HA H 77 4.618 4.661 -0.043 1
1 625 . 8 1 1 A 47 47 ASN C C 77 173.844 175.304 -1.460 1
1 626 . 8 1 1 A 47 47 ASN CA C 77 54.045 55.560 -1.515 1
1 627 . 8 1 1 A 47 47 ASN CB C 77 37.058 38.602 -1.544 1
1 629 . 8 1 1 A 47 47 ASN N N 77 116.407 115.920 0.487 1
1 631 . 8 1 1 A 48 48 THR H H 78 7.429 7.587 -0.158 1
1 632 . 8 1 1 A 48 48 THR HA H 78 4.803 5.100 -0.297 1
1 637 . 8 1 1 A 48 48 THR C C 78 175.201 171.795 3.406 1
1 638 . 8 1 1 A 48 48 THR CA C 78 58.577 58.791 -0.214 1
1 639 . 8 1 1 A 48 48 THR CB C 78 70.494 70.792 -0.298 1
1 641 . 8 1 1 A 48 48 THR N N 78 111.551 109.567 1.984 1
1 642 . 8 1 1 A 49 49 PRO HA H 79 4.462 4.587 -0.125 1
1 649 . 8 1 1 A 49 49 PRO C C 79 176.670 176.831 -0.161 1
1 650 . 8 1 1 A 49 49 PRO CA C 79 62.384 62.640 -0.256 1
1 651 . 8 1 1 A 49 49 PRO CB C 79 32.205 32.126 0.079 1
1 654 . 8 1 1 A 50 50 LEU H H 80 9.049 8.287 0.762 1
1 655 . 8 1 1 A 50 50 LEU HA H 80 4.081 4.447 -0.366 1
1 665 . 8 1 1 A 50 50 LEU C C 80 176.758 176.795 -0.037 1
1 666 . 8 1 1 A 50 50 LEU CA C 80 55.315 53.763 1.552 1
1 667 . 8 1 1 A 50 50 LEU CB C 80 41.915 42.983 -1.068 1
1 671 . 8 1 1 A 50 50 LEU N N 80 126.341 119.187 7.154 1
1 672 . 8 1 1 A 51 51 ALA H H 81 8.415 8.904 -0.489 1
1 673 . 8 1 1 A 51 51 ALA HA H 81 4.187 4.385 -0.198 1
1 677 . 8 1 1 A 51 51 ALA C C 81 179.005 178.699 0.306 1
1 678 . 8 1 1 A 51 51 ALA CA C 81 52.851 52.322 0.529 1
1 679 . 8 1 1 A 51 51 ALA CB C 81 19.625 19.267 0.358 1
1 680 . 8 1 1 A 51 51 ALA N N 81 129.745 123.306 6.439 1
1 681 . 8 1 1 A 52 52 GLU H H 82 8.739 8.867 -0.128 1
1 682 . 8 1 1 A 52 52 GLU HA H 82 3.815 4.048 -0.233 1
1 687 . 8 1 1 A 52 52 GLU C C 82 178.591 178.204 0.387 1
1 688 . 8 1 1 A 52 52 GLU CA C 82 59.566 58.874 0.692 1
1 689 . 8 1 1 A 52 52 GLU CB C 82 29.774 29.111 0.663 1
1 691 . 8 1 1 A 52 52 GLU N N 82 121.424 121.081 0.343 1
1 692 . 8 1 1 A 53 53 ASP H H 83 8.511 8.139 0.372 1
1 693 . 8 1 1 A 53 53 ASP HA H 83 4.427 4.417 0.010 1
1 696 . 8 1 1 A 53 53 ASP C C 83 177.306 177.407 -0.101 1
1 697 . 8 1 1 A 53 53 ASP CA C 83 55.398 56.839 -1.441 1
1 698 . 8 1 1 A 53 53 ASP CB C 83 39.430 40.302 -0.872 1
1 699 . 8 1 1 A 53 53 ASP N N 83 114.043 119.725 -5.682 1
1 700 . 8 1 1 A 54 54 ARG H H 84 7.800 7.947 -0.147 1
1 701 . 8 1 1 A 54 54 ARG HA H 84 4.527 4.493 0.034 1
1 710 . 8 1 1 A 54 54 ARG C C 84 176.966 177.130 -0.164 1
1 711 . 8 1 1 A 54 54 ARG CA C 84 55.915 55.861 0.054 1
1 712 . 8 1 1 A 54 54 ARG CB C 84 31.804 31.445 0.359 1
1 715 . 8 1 1 A 54 54 ARG N N 84 118.147 116.461 1.686 1
1 718 . 8 1 1 A 55 55 LYS H H 85 7.335 7.827 -0.492 1
1 719 . 8 1 1 A 55 55 LYS HA H 85 3.551 4.120 -0.569 1
1 728 . 8 1 1 A 55 55 LYS C C 85 178.113 177.162 0.951 1
1 729 . 8 1 1 A 55 55 LYS CA C 85 59.887 58.686 1.201 1
1 730 . 8 1 1 A 55 55 LYS CB C 85 32.935 32.248 0.687 1
1 734 . 8 1 1 A 55 55 LYS N N 85 116.576 119.366 -2.790 1
1 735 . 8 1 1 A 56 56 ASN H H 86 8.347 7.975 0.372 1
1 736 . 8 1 1 A 56 56 ASN HA H 86 4.886 4.971 -0.085 1
1 741 . 8 1 1 A 56 56 ASN C C 86 174.736 174.728 0.008 1
1 742 . 8 1 1 A 56 56 ASN CA C 86 52.265 52.918 -0.653 1
1 743 . 8 1 1 A 56 56 ASN CB C 86 38.239 40.030 -1.791 1
1 745 . 8 1 1 A 56 56 ASN N N 86 114.341 115.409 -1.068 1
1 747 . 8 1 1 A 57 57 VAL H H 87 6.985 7.392 -0.407 1
1 748 . 8 1 1 A 57 57 VAL HA H 87 3.746 4.068 -0.322 1
1 756 . 8 1 1 A 57 57 VAL C C 87 175.380 175.910 -0.530 1
1 757 . 8 1 1 A 57 57 VAL CA C 87 63.723 62.254 1.469 1
1 758 . 8 1 1 A 57 57 VAL CB C 87 32.650 32.762 -0.112 1
1 761 . 8 1 1 A 57 57 VAL N N 87 121.424 121.551 -0.127 1
1 762 . 8 1 1 A 58 58 GLU H H 88 8.777 8.602 0.175 1
1 763 . 8 1 1 A 58 58 GLU HA H 88 4.339 4.703 -0.364 1
1 768 . 8 1 1 A 58 58 GLU C C 88 176.364 176.717 -0.353 1
1 769 . 8 1 1 A 58 58 GLU CA C 88 56.085 56.289 -0.204 1
1 770 . 8 1 1 A 58 58 GLU CB C 88 29.861 30.299 -0.438 1
1 772 . 8 1 1 A 58 58 GLU N N 88 129.489 127.076 2.413 1
1 773 . 8 1 1 A 59 59 LEU H H 89 8.230 8.801 -0.571 1
1 774 . 8 1 1 A 59 59 LEU HA H 89 4.299 4.250 0.049 1
1 784 . 8 1 1 A 59 59 LEU C C 89 178.976 178.127 0.849 1
1 785 . 8 1 1 A 59 59 LEU CA C 89 54.651 55.232 -0.581 1
1 786 . 8 1 1 A 59 59 LEU CB C 89 42.596 41.673 0.923 1
1 790 . 8 1 1 A 59 59 LEU N N 89 124.395 126.391 -1.996 1
1 791 . 8 1 1 A 60 60 LEU H H 90 7.777 9.265 -1.488 1
1 792 . 8 1 1 A 60 60 LEU HA H 90 4.135 4.202 -0.067 1
1 802 . 8 1 1 A 60 60 LEU C C 90 176.394 176.760 -0.366 1
1 803 . 8 1 1 A 60 60 LEU CA C 90 56.754 56.495 0.259 1
1 804 . 8 1 1 A 60 60 LEU CB C 90 42.413 42.829 -0.416 1
1 808 . 8 1 1 A 60 60 LEU N N 90 119.734 123.896 -4.162 1
1 809 . 8 1 1 A 61 61 GLY H H 91 7.224 7.461 -0.237 1
1 810 . 8 1 1 A 61 61 GLY HA2 H 91 4.165 4.080 0.085 1
1 811 . 8 1 1 A 61 61 GLY HA3 H 91 3.899 4.083 -0.184 1
1 812 . 8 1 1 A 61 61 GLY C C 91 171.742 172.405 -0.663 1
1 813 . 8 1 1 A 61 61 GLY CA C 91 44.969 45.621 -0.652 1
1 814 . 8 1 1 A 61 61 GLY N N 91 103.707 104.805 -1.098 1
1 815 . 8 1 1 A 62 62 LYS H H 92 8.771 8.229 0.542 1
1 816 . 8 1 1 A 62 62 LYS HA H 92 4.150 4.263 -0.113 1
1 825 . 8 1 1 A 62 62 LYS C C 92 177.522 176.530 0.992 1
1 826 . 8 1 1 A 62 62 LYS CA C 92 56.750 56.626 0.124 1
1 827 . 8 1 1 A 62 62 LYS CB C 92 33.835 32.994 0.841 1
1 831 . 8 1 1 A 62 62 LYS N N 92 118.635 120.978 -2.343 1
1 832 . 8 1 1 A 63 63 MET H H 93 9.188 8.494 0.694 1
1 833 . 8 1 1 A 63 63 MET HA H 93 3.835 4.403 -0.568 1
1 841 . 8 1 1 A 63 63 MET C C 93 173.913 175.615 -1.702 1
1 842 . 8 1 1 A 63 63 MET CA C 93 59.275 56.556 2.719 1
1 843 . 8 1 1 A 63 63 MET CB C 93 31.483 33.167 -1.684 1
1 846 . 8 1 1 A 63 63 MET N N 93 123.413 124.673 -1.260 1
1 847 . 8 1 1 A 64 64 TYR H H 94 9.421 8.701 0.720 1
1 848 . 8 1 1 A 64 64 TYR HA H 94 4.767 4.673 0.094 1
1 855 . 8 1 1 A 64 64 TYR C C 94 173.918 175.006 -1.088 1
1 856 . 8 1 1 A 64 64 TYR CA C 94 56.933 59.058 -2.125 1
1 857 . 8 1 1 A 64 64 TYR CB C 94 40.020 40.791 -0.771 1
1 860 . 8 1 1 A 64 64 TYR N N 94 129.403 126.070 3.333 1
1 861 . 8 1 1 A 65 65 LYS H H 95 7.289 7.540 -0.251 1
1 862 . 8 1 1 A 65 65 LYS HA H 95 4.688 4.679 0.009 1
1 871 . 8 1 1 A 65 65 LYS C C 95 175.000 173.977 1.023 1
1 872 . 8 1 1 A 65 65 LYS CA C 95 55.841 55.522 0.319 1
1 873 . 8 1 1 A 65 65 LYS CB C 95 40.404 35.841 4.563 1
1 877 . 8 1 1 A 65 65 LYS N N 95 118.804 118.005 0.799 1
1 878 . 8 1 1 A 66 66 THR H H 96 8.727 7.879 0.848 1
1 879 . 8 1 1 A 66 66 THR HA H 96 5.149 5.286 -0.137 1
1 885 . 8 1 1 A 66 66 THR C C 96 172.120 172.540 -0.420 1
1 886 . 8 1 1 A 66 66 THR CA C 96 62.226 60.342 1.884 1
1 887 . 8 1 1 A 66 66 THR CB C 96 71.787 71.865 -0.078 1
1 889 . 8 1 1 A 66 66 THR N N 96 116.235 118.228 -1.993 1
1 890 . 8 1 1 A 67 67 TYR H H 97 8.969 9.019 -0.050 1
1 891 . 8 1 1 A 67 67 TYR HA H 97 5.027 5.192 -0.165 1
1 898 . 8 1 1 A 67 67 TYR C C 97 175.077 174.971 0.106 1
1 899 . 8 1 1 A 67 67 TYR CA C 97 57.278 56.547 0.731 1
1 900 . 8 1 1 A 67 67 TYR CB C 97 42.054 42.298 -0.244 1
1 903 . 8 1 1 A 67 67 TYR N N 97 125.256 123.716 1.540 1
1 904 . 8 1 1 A 68 68 PHE H H 98 9.189 9.235 -0.046 1
1 905 . 8 1 1 A 68 68 PHE HA H 98 5.177 5.208 -0.031 1
1 913 . 8 1 1 A 68 68 PHE C C 98 174.791 175.128 -0.337 1
1 914 . 8 1 1 A 68 68 PHE CA C 98 57.825 56.614 1.211 1
1 915 . 8 1 1 A 68 68 PHE CB C 98 42.377 42.931 -0.554 1
1 919 . 8 1 1 A 68 68 PHE N N 98 118.574 120.956 -2.382 1
1 920 . 8 1 1 A 69 69 PHE H H 99 8.976 9.525 -0.549 1
1 921 . 8 1 1 A 69 69 PHE HA H 99 4.893 5.150 -0.257 1
1 929 . 8 1 1 A 69 69 PHE C C 99 176.386 175.598 0.788 1
1 930 . 8 1 1 A 69 69 PHE CA C 99 56.777 56.289 0.488 1
1 931 . 8 1 1 A 69 69 PHE CB C 99 41.371 42.052 -0.681 1
1 935 . 8 1 1 A 69 69 PHE N N 99 119.573 121.360 -1.787 1
1 936 . 8 1 1 A 70 70 LYS H H 100 9.479 9.000 0.479 1
1 937 . 8 1 1 A 70 70 LYS HA H 100 4.533 4.311 0.222 1
1 946 . 8 1 1 A 70 70 LYS C C 100 176.156 176.289 -0.133 1
1 947 . 8 1 1 A 70 70 LYS CA C 100 56.706 56.375 0.331 1
1 948 . 8 1 1 A 70 70 LYS CB C 100 33.667 33.074 0.593 1
1 952 . 8 1 1 A 70 70 LYS N N 100 125.614 123.448 2.166 1
1 953 . 8 1 1 A 71 71 LYS H H 101 8.068 8.494 -0.426 1
1 954 . 8 1 1 A 71 71 LYS HA H 101 4.188 4.149 0.039 1
1 963 . 8 1 1 A 71 71 LYS C C 101 177.655 176.924 0.731 1
1 964 . 8 1 1 A 71 71 LYS CA C 101 58.238 57.248 0.990 1
1 965 . 8 1 1 A 71 71 LYS CB C 101 32.342 32.042 0.300 1
1 969 . 8 1 1 A 71 71 LYS N N 101 121.057 120.888 0.169 1
1 970 . 8 1 1 A 72 72 GLY H H 102 8.899 9.346 -0.447 1
1 971 . 8 1 1 A 72 72 GLY HA2 H 102 4.196 3.955 0.241 1
1 972 . 8 1 1 A 72 72 GLY HA3 H 102 3.815 3.971 -0.156 1
1 973 . 8 1 1 A 72 72 GLY C C 102 173.997 174.104 -0.107 1
1 974 . 8 1 1 A 72 72 GLY CA C 102 45.802 45.292 0.510 1
1 975 . 8 1 1 A 72 72 GLY N N 102 114.112 112.927 1.185 1
1 976 . 8 1 1 A 73 73 GLU H H 103 8.047 8.119 -0.072 1
1 977 . 8 1 1 A 73 73 GLU HA H 103 4.764 4.465 0.299 1
1 982 . 8 1 1 A 73 73 GLU C C 103 175.975 176.899 -0.924 1
1 983 . 8 1 1 A 73 73 GLU CA C 103 56.295 56.971 -0.676 1
1 984 . 8 1 1 A 73 73 GLU CB C 103 31.153 30.898 0.255 1
1 986 . 8 1 1 A 73 73 GLU N N 103 119.538 120.966 -1.428 1
1 987 . 8 1 1 A 74 74 SER H H 104 8.742 8.983 -0.241 1
1 988 . 8 1 1 A 74 74 SER HA H 104 4.598 4.943 -0.345 1
1 991 . 8 1 1 A 74 74 SER C C 104 171.916 174.146 -2.230 1
1 992 . 8 1 1 A 74 74 SER CA C 104 58.363 57.233 1.130 1
1 993 . 8 1 1 A 74 74 SER CB C 104 64.025 64.543 -0.518 1
1 994 . 8 1 1 A 74 74 SER N N 104 115.383 115.042 0.341 1
1 995 . 8 1 1 A 75 75 LYS H H 105 7.608 7.558 0.050 1
1 996 . 8 1 1 A 75 75 LYS HA H 105 5.588 5.115 0.473 1
1 1005 . 8 1 1 A 75 75 LYS C C 105 176.017 174.620 1.397 1
1 1006 . 8 1 1 A 75 75 LYS CA C 105 54.548 55.220 -0.672 1
1 1007 . 8 1 1 A 75 75 LYS CB C 105 35.211 36.041 -0.830 1
1 1011 . 8 1 1 A 75 75 LYS N N 105 121.040 123.364 -2.324 1
1 1012 . 8 1 1 A 76 76 SER H H 106 8.231 8.697 -0.466 1
1 1013 . 8 1 1 A 76 76 SER HA H 106 3.377 3.620 -0.243 1
1 1016 . 8 1 1 A 76 76 SER C C 106 172.571 174.289 -1.718 1
1 1017 . 8 1 1 A 76 76 SER CA C 106 59.650 57.574 2.076 1
1 1018 . 8 1 1 A 76 76 SER CB C 106 64.857 63.914 0.943 1
1 1019 . 8 1 1 A 76 76 SER N N 106 121.783 118.986 2.797 1
1 1020 . 8 1 1 A 77 77 SER H H 107 8.333 9.156 -0.823 1
1 1021 . 8 1 1 A 77 77 SER HA H 107 5.025 4.625 0.400 1
1 1024 . 8 1 1 A 77 77 SER C C 107 174.507 173.489 1.018 1
1 1025 . 8 1 1 A 77 77 SER CA C 107 57.561 58.526 -0.965 1
1 1026 . 8 1 1 A 77 77 SER CB C 107 65.330 65.574 -0.244 1
1 1027 . 8 1 1 A 77 77 SER N N 107 106.276 116.688 -10.412 1
1 1028 . 8 1 1 A 78 78 TYR H H 108 7.825 7.337 0.488 1
1 1029 . 8 1 1 A 78 78 TYR HA H 108 4.754 4.739 0.015 1
1 1036 . 8 1 1 A 78 78 TYR C C 108 171.725 173.750 -2.025 1
1 1037 . 8 1 1 A 78 78 TYR CA C 108 57.778 56.875 0.903 1
1 1038 . 8 1 1 A 78 78 TYR CB C 108 43.223 41.899 1.324 1
1 1041 . 8 1 1 A 78 78 TYR N N 108 126.289 119.652 6.637 1
1 1042 . 8 1 1 A 79 79 VAL H H 109 7.760 8.436 -0.676 1
1 1043 . 8 1 1 A 79 79 VAL HA H 109 5.215 4.927 0.288 1
1 1051 . 8 1 1 A 79 79 VAL C C 109 172.526 174.340 -1.814 1
1 1052 . 8 1 1 A 79 79 VAL CA C 109 59.193 59.545 -0.352 1
1 1053 . 8 1 1 A 79 79 VAL CB C 109 36.173 36.033 0.140 1
1 1056 . 8 1 1 A 79 79 VAL N N 109 127.825 121.098 6.727 1
1 1057 . 8 1 1 A 80 80 ILE H H 110 8.616 8.283 0.333 1
1 1058 . 8 1 1 A 80 80 ILE HA H 110 4.011 4.516 -0.505 1
1 1068 . 8 1 1 A 80 80 ILE C C 110 174.690 174.559 0.131 1
1 1069 . 8 1 1 A 80 80 ILE CA C 110 60.922 60.095 0.827 1
1 1070 . 8 1 1 A 80 80 ILE CB C 110 42.047 41.068 0.979 1
1 1074 . 8 1 1 A 80 80 ILE N N 110 124.001 122.106 1.895 1
1 1075 . 8 1 1 A 81 81 ASN H H 111 8.937 8.425 0.512 1
1 1076 . 8 1 1 A 81 81 ASN HA H 111 4.760 5.168 -0.408 1
1 1081 . 8 1 1 A 81 81 ASN C C 111 175.326 175.100 0.226 1
1 1082 . 8 1 1 A 81 81 ASN CA C 111 53.600 51.789 1.811 1
1 1083 . 8 1 1 A 81 81 ASN CB C 111 40.412 40.721 -0.309 1
1 1085 . 8 1 1 A 81 81 ASN N N 111 126.229 125.583 0.646 1
1 1087 . 8 1 1 A 82 82 GLY H H 112 7.984 8.399 -0.415 1
1 1088 . 8 1 1 A 82 82 GLY HA2 H 112 4.457 4.273 0.184 1
1 1089 . 8 1 1 A 82 82 GLY HA3 H 112 3.847 4.289 -0.442 1
1 1090 . 8 1 1 A 82 82 GLY C C 112 171.875 174.144 -2.269 1
1 1091 . 8 1 1 A 82 82 GLY CA C 112 43.303 44.770 -1.467 1
1 1092 . 8 1 1 A 82 82 GLY N N 112 110.894 108.154 2.740 1
1 1093 . 8 1 1 A 83 83 PRO HA H 113 4.609 4.593 0.016 1
1 1100 . 8 1 1 A 83 83 PRO C C 113 178.327 176.942 1.385 1
1 1101 . 8 1 1 A 83 83 PRO CA C 113 63.342 63.582 -0.240 1
1 1102 . 8 1 1 A 83 83 PRO CB C 113 32.232 31.272 0.960 1
1 1105 . 8 1 1 A 84 84 GLY H H 114 8.939 8.089 0.850 1
1 1106 . 8 1 1 A 84 84 GLY HA2 H 114 4.055 3.976 0.079 1
1 1107 . 8 1 1 A 84 84 GLY HA3 H 114 3.192 4.016 -0.824 1
1 1108 . 8 1 1 A 84 84 GLY C C 114 172.587 174.476 -1.889 1
1 1109 . 8 1 1 A 84 84 GLY CA C 114 44.667 45.624 -0.957 1
1 1110 . 8 1 1 A 84 84 GLY N N 114 109.324 109.238 0.086 1
1 1111 . 8 1 1 A 85 85 LYS H H 115 9.550 7.997 1.553 1
1 1112 . 8 1 1 A 85 85 LYS HA H 115 4.527 3.919 0.608 1
1 1121 . 8 1 1 A 85 85 LYS C C 115 175.690 174.535 1.155 1
1 1122 . 8 1 1 A 85 85 LYS CA C 115 56.251 57.649 -1.398 1
1 1123 . 8 1 1 A 85 85 LYS CB C 115 34.217 30.293 3.924 1
1 1127 . 8 1 1 A 85 85 LYS N N 115 119.240 115.573 3.667 1
1 1128 . 8 1 1 A 86 86 THR H H 116 7.327 7.179 0.148 1
1 1129 . 8 1 1 A 86 86 THR HA H 116 3.572 3.553 0.019 1
1 1134 . 8 1 1 A 86 86 THR C C 116 170.519 172.373 -1.854 1
1 1135 . 8 1 1 A 86 86 THR CA C 116 59.094 60.170 -1.076 1
1 1136 . 8 1 1 A 86 86 THR CB C 116 68.191 69.344 -1.153 1
1 1138 . 8 1 1 A 86 86 THR N N 116 113.403 110.639 2.764 1
1 1139 . 8 1 1 A 87 87 ASN H H 117 8.035 8.565 -0.530 1
1 1140 . 8 1 1 A 87 87 ASN HA H 117 4.914 4.783 0.131 1
1 1145 . 8 1 1 A 87 87 ASN C C 117 175.798 175.519 0.279 1
1 1146 . 8 1 1 A 87 87 ASN CA C 117 52.062 54.852 -2.790 1
1 1147 . 8 1 1 A 87 87 ASN CB C 117 40.563 39.025 1.538 1
1 1149 . 8 1 1 A 87 87 ASN N N 117 118.907 122.405 -3.498 1
1 1151 . 8 1 1 A 88 88 GLU H H 118 8.362 7.665 0.697 1
1 1152 . 8 1 1 A 88 88 GLU HA H 118 4.116 4.309 -0.193 1
1 1157 . 8 1 1 A 88 88 GLU C C 118 175.935 175.764 0.171 1
1 1158 . 8 1 1 A 88 88 GLU CA C 118 55.589 54.941 0.648 1
1 1159 . 8 1 1 A 88 88 GLU CB C 118 29.435 27.681 1.754 1
1 1161 . 8 1 1 A 88 88 GLU N N 118 119.547 118.215 1.332 1
1 1162 . 8 1 1 A 89 89 TYR H H 119 7.918 8.360 -0.442 1
1 1163 . 8 1 1 A 89 89 TYR HA H 119 4.639 4.429 0.210 1
1 1170 . 8 1 1 A 89 89 TYR C C 119 175.750 175.041 0.709 1
1 1171 . 8 1 1 A 89 89 TYR CA C 119 59.270 59.092 0.178 1
1 1172 . 8 1 1 A 89 89 TYR CB C 119 38.274 36.164 2.110 1
1 1175 . 8 1 1 A 89 89 TYR N N 119 118.293 122.846 -4.553 1
1 1176 . 8 1 1 A 90 90 ALA H H 120 8.285 8.333 -0.048 1
1 1177 . 8 1 1 A 90 90 ALA HA H 120 4.273 3.962 0.311 1
1 1181 . 8 1 1 A 90 90 ALA C C 120 175.773 175.839 -0.066 1
1 1182 . 8 1 1 A 90 90 ALA CA C 120 52.014 53.208 -1.194 1
1 1183 . 8 1 1 A 90 90 ALA CB C 120 19.920 17.096 2.824 1
1 1184 . 8 1 1 A 90 90 ALA N N 120 126.212 115.685 10.527 1
1 11 . 9 1 1 A 2 2 SER HA H 32 4.469 4.732 -0.263 1
1 14 . 9 1 1 A 2 2 SER C C 32 174.865 173.405 1.460 1
1 15 . 9 1 1 A 2 2 SER CA C 32 58.680 58.202 0.478 1
1 16 . 9 1 1 A 2 2 SER CB C 32 63.805 64.909 -1.104 1
1 17 . 9 1 1 A 3 3 GLY H H 33 8.513 7.508 1.005 1
1 18 . 9 1 1 A 3 3 GLY HA2 H 33 3.972 4.081 -0.109 1
1 19 . 9 1 1 A 3 3 GLY HA3 H 33 3.972 4.082 -0.110 1
1 20 . 9 1 1 A 3 3 GLY C C 33 173.735 171.409 2.326 1
1 21 . 9 1 1 A 3 3 GLY CA C 33 45.132 45.720 -0.588 1
1 22 . 9 1 1 A 3 3 GLY N N 33 110.526 107.553 2.973 1
1 23 . 9 1 1 A 4 4 LEU H H 34 8.145 8.274 -0.129 1
1 24 . 9 1 1 A 4 4 LEU HA H 34 4.599 4.830 -0.231 1
1 34 . 9 1 1 A 4 4 LEU C C 34 175.201 174.242 0.959 1
1 35 . 9 1 1 A 4 4 LEU CA C 34 53.002 51.521 1.481 1
1 36 . 9 1 1 A 4 4 LEU CB C 34 41.772 45.596 -3.824 1
1 40 . 9 1 1 A 4 4 LEU N N 34 122.423 120.977 1.446 1
1 41 . 9 1 1 A 5 5 PRO HA H 35 4.551 4.740 -0.189 1
1 48 . 9 1 1 A 5 5 PRO C C 35 176.487 176.239 0.248 1
1 49 . 9 1 1 A 5 5 PRO CA C 35 62.771 62.635 0.136 1
1 50 . 9 1 1 A 5 5 PRO CB C 35 32.488 32.156 0.332 1
1 53 . 9 1 1 A 6 6 THR H H 36 8.447 8.475 -0.028 1
1 54 . 9 1 1 A 6 6 THR HA H 36 4.445 4.512 -0.067 1
1 59 . 9 1 1 A 6 6 THR C C 36 174.231 173.413 0.818 1
1 60 . 9 1 1 A 6 6 THR CA C 36 61.727 61.226 0.501 1
1 61 . 9 1 1 A 6 6 THR CB C 36 69.213 70.385 -1.172 1
1 63 . 9 1 1 A 6 6 THR N N 36 111.916 116.805 -4.889 1
1 64 . 9 1 1 A 7 7 THR H H 37 7.303 7.628 -0.325 1
1 65 . 9 1 1 A 7 7 THR HA H 37 5.232 4.783 0.449 1
1 70 . 9 1 1 A 7 7 THR C C 37 175.848 175.127 0.721 1
1 71 . 9 1 1 A 7 7 THR CA C 37 58.599 59.486 -0.887 1
1 72 . 9 1 1 A 7 7 THR CB C 37 71.971 70.880 1.091 1
1 74 . 9 1 1 A 7 7 THR N N 37 110.288 114.447 -4.159 1
1 75 . 9 1 1 A 8 8 LEU H H 38 9.065 8.828 0.237 1
1 76 . 9 1 1 A 8 8 LEU HA H 38 3.829 3.907 -0.078 1
1 86 . 9 1 1 A 8 8 LEU C C 38 177.964 179.179 -1.215 1
1 87 . 9 1 1 A 8 8 LEU CA C 38 57.613 58.099 -0.486 1
1 88 . 9 1 1 A 8 8 LEU CB C 38 41.058 41.463 -0.405 1
1 92 . 9 1 1 A 8 8 LEU N N 38 122.441 123.458 -1.017 1
1 93 . 9 1 1 A 9 9 GLY H H 39 8.753 8.288 0.465 1
1 94 . 9 1 1 A 9 9 GLY HA2 H 39 3.969 3.745 0.224 1
1 95 . 9 1 1 A 9 9 GLY HA3 H 39 3.769 3.748 0.021 1
1 96 . 9 1 1 A 9 9 GLY C C 39 176.615 176.121 0.494 1
1 97 . 9 1 1 A 9 9 GLY CA C 39 47.314 47.070 0.244 1
1 98 . 9 1 1 A 9 9 GLY N N 39 104.356 106.704 -2.348 1
1 99 . 9 1 1 A 10 10 LYS H H 40 7.341 7.614 -0.273 1
1 100 . 9 1 1 A 10 10 LYS HA H 40 4.241 4.063 0.178 1
1 109 . 9 1 1 A 10 10 LYS C C 40 179.292 179.324 -0.032 1
1 110 . 9 1 1 A 10 10 LYS CA C 40 58.108 59.267 -1.159 1
1 111 . 9 1 1 A 10 10 LYS CB C 40 32.346 32.230 0.116 1
1 115 . 9 1 1 A 10 10 LYS N N 40 120.741 122.611 -1.870 1
1 116 . 9 1 1 A 11 11 LEU H H 41 8.033 7.884 0.149 1
1 117 . 9 1 1 A 11 11 LEU HA H 41 4.059 4.063 -0.004 1
1 127 . 9 1 1 A 11 11 LEU C C 41 177.253 178.056 -0.803 1
1 128 . 9 1 1 A 11 11 LEU CA C 41 57.978 58.065 -0.087 1
1 129 . 9 1 1 A 11 11 LEU CB C 41 41.760 41.217 0.543 1
1 133 . 9 1 1 A 11 11 LEU N N 41 121.501 121.606 -0.105 1
1 134 . 9 1 1 A 12 12 ASP H H 42 9.025 8.508 0.517 1
1 135 . 9 1 1 A 12 12 ASP HA H 42 4.045 4.275 -0.230 1
1 138 . 9 1 1 A 12 12 ASP C C 42 176.536 178.794 -2.258 1
1 139 . 9 1 1 A 12 12 ASP CA C 42 58.740 58.075 0.665 1
1 140 . 9 1 1 A 12 12 ASP CB C 42 44.783 42.434 2.349 1
1 141 . 9 1 1 A 12 12 ASP N N 42 119.776 118.954 0.822 1
1 142 . 9 1 1 A 13 13 GLU H H 43 7.253 8.030 -0.777 1
1 143 . 9 1 1 A 13 13 GLU HA H 43 3.869 4.116 -0.247 1
1 148 . 9 1 1 A 13 13 GLU C C 43 178.916 178.612 0.304 1
1 149 . 9 1 1 A 13 13 GLU CA C 43 59.511 59.124 0.387 1
1 150 . 9 1 1 A 13 13 GLU CB C 43 30.131 29.285 0.846 1
1 152 . 9 1 1 A 13 13 GLU N N 43 116.304 118.930 -2.626 1
1 153 . 9 1 1 A 14 14 ARG H H 44 7.234 7.642 -0.408 1
1 154 . 9 1 1 A 14 14 ARG HA H 44 3.920 4.183 -0.263 1
1 163 . 9 1 1 A 14 14 ARG C C 44 177.609 178.952 -1.343 1
1 164 . 9 1 1 A 14 14 ARG CA C 44 58.607 58.677 -0.070 1
1 165 . 9 1 1 A 14 14 ARG CB C 44 30.304 30.188 0.116 1
1 168 . 9 1 1 A 14 14 ARG N N 44 118.267 120.261 -1.994 1
1 171 . 9 1 1 A 15 15 LEU H H 45 8.734 8.801 -0.067 1
1 172 . 9 1 1 A 15 15 LEU HA H 45 3.809 4.323 -0.514 1
1 182 . 9 1 1 A 15 15 LEU C C 45 179.204 179.377 -0.173 1
1 183 . 9 1 1 A 15 15 LEU CA C 45 58.248 58.386 -0.138 1
1 184 . 9 1 1 A 15 15 LEU CB C 45 42.076 41.572 0.504 1
1 188 . 9 1 1 A 15 15 LEU N N 45 117.856 119.781 -1.925 1
1 189 . 9 1 1 A 16 16 ARG H H 46 8.280 8.564 -0.284 1
1 190 . 9 1 1 A 16 16 ARG HA H 46 3.863 4.182 -0.319 1
1 200 . 9 1 1 A 16 16 ARG C C 46 179.432 179.115 0.317 1
1 201 . 9 1 1 A 16 16 ARG CA C 46 60.779 59.261 1.518 1
1 202 . 9 1 1 A 16 16 ARG CB C 46 29.824 29.746 0.078 1
1 205 . 9 1 1 A 16 16 ARG N N 46 115.954 119.477 -3.523 1
1 209 . 9 1 1 A 17 17 ASN H H 47 7.433 7.727 -0.294 1
1 210 . 9 1 1 A 17 17 ASN HA H 47 4.458 4.492 -0.034 1
1 215 . 9 1 1 A 17 17 ASN C C 47 177.657 177.998 -0.341 1
1 216 . 9 1 1 A 17 17 ASN CA C 47 56.297 56.228 0.069 1
1 217 . 9 1 1 A 17 17 ASN CB C 47 38.540 38.264 0.276 1
1 219 . 9 1 1 A 17 17 ASN N N 47 118.514 117.785 0.729 1
1 221 . 9 1 1 A 18 18 TYR H H 48 8.945 8.358 0.587 1
1 222 . 9 1 1 A 18 18 TYR HA H 48 4.184 4.333 -0.149 1
1 229 . 9 1 1 A 18 18 TYR C C 48 177.806 178.337 -0.531 1
1 230 . 9 1 1 A 18 18 TYR CA C 48 58.651 61.215 -2.564 1
1 231 . 9 1 1 A 18 18 TYR CB C 48 36.527 37.779 -1.252 1
1 234 . 9 1 1 A 18 18 TYR N N 48 121.714 119.336 2.378 1
1 235 . 9 1 1 A 19 19 LEU H H 49 8.293 8.278 0.015 1
1 236 . 9 1 1 A 19 19 LEU HA H 49 3.410 3.649 -0.239 1
1 246 . 9 1 1 A 19 19 LEU C C 49 179.153 179.080 0.073 1
1 247 . 9 1 1 A 19 19 LEU CA C 49 57.822 57.883 -0.061 1
1 248 . 9 1 1 A 19 19 LEU CB C 49 41.929 41.312 0.617 1
1 252 . 9 1 1 A 19 19 LEU N N 49 119.284 120.798 -1.514 1
1 253 . 9 1 1 A 20 20 LYS H H 50 7.322 7.694 -0.372 1
1 254 . 9 1 1 A 20 20 LYS HA H 50 3.893 3.887 0.006 1
1 263 . 9 1 1 A 20 20 LYS C C 50 177.980 179.923 -1.943 1
1 264 . 9 1 1 A 20 20 LYS CA C 50 59.104 60.267 -1.163 1
1 265 . 9 1 1 A 20 20 LYS CB C 50 32.348 32.150 0.198 1
1 269 . 9 1 1 A 20 20 LYS N N 50 117.005 117.311 -0.306 1
1 270 . 9 1 1 A 21 21 LYS H H 51 7.435 8.080 -0.645 1
1 271 . 9 1 1 A 21 21 LYS HA H 51 4.080 4.013 0.067 1
1 280 . 9 1 1 A 21 21 LYS C C 51 178.971 178.217 0.754 1
1 281 . 9 1 1 A 21 21 LYS CA C 51 57.418 59.136 -1.718 1
1 282 . 9 1 1 A 21 21 LYS CB C 51 32.675 32.339 0.336 1
1 286 . 9 1 1 A 21 21 LYS N N 51 115.946 119.370 -3.424 1
1 287 . 9 1 1 A 22 22 GLY H H 52 8.290 7.619 0.671 1
1 288 . 9 1 1 A 22 22 GLY HA2 H 52 3.897 4.053 -0.156 1
1 289 . 9 1 1 A 22 22 GLY HA3 H 52 4.181 4.117 0.064 1
1 290 . 9 1 1 A 22 22 GLY C C 52 173.610 173.493 0.117 1
1 291 . 9 1 1 A 22 22 GLY CA C 52 45.088 45.277 -0.189 1
1 292 . 9 1 1 A 22 22 GLY N N 52 105.432 107.363 -1.931 1
1 293 . 9 1 1 A 23 23 THR H H 53 7.148 7.302 -0.154 1
1 294 . 9 1 1 A 23 23 THR HA H 53 4.838 4.604 0.234 1
1 300 . 9 1 1 A 23 23 THR C C 53 174.444 174.493 -0.049 1
1 301 . 9 1 1 A 23 23 THR CA C 53 59.766 59.255 0.511 1
1 302 . 9 1 1 A 23 23 THR CB C 53 72.471 72.475 -0.004 1
1 304 . 9 1 1 A 23 23 THR N N 53 107.608 111.458 -3.850 1
1 305 . 9 1 1 A 24 24 LYS H H 54 8.414 8.711 -0.297 1
1 306 . 9 1 1 A 24 24 LYS HA H 54 4.355 4.019 0.336 1
1 315 . 9 1 1 A 24 24 LYS C C 54 177.632 176.844 0.788 1
1 316 . 9 1 1 A 24 24 LYS CA C 54 57.393 58.952 -1.559 1
1 317 . 9 1 1 A 24 24 LYS CB C 54 32.806 32.147 0.659 1
1 321 . 9 1 1 A 24 24 LYS N N 54 118.924 121.408 -2.484 1
1 322 . 9 1 1 A 25 25 ASN H H 55 7.823 7.791 0.032 1
1 323 . 9 1 1 A 25 25 ASN HA H 55 4.992 4.866 0.126 1
1 328 . 9 1 1 A 25 25 ASN C C 55 174.882 175.471 -0.589 1
1 329 . 9 1 1 A 25 25 ASN CA C 55 51.540 53.048 -1.508 1
1 330 . 9 1 1 A 25 25 ASN CB C 55 38.209 40.877 -2.668 1
1 332 . 9 1 1 A 25 25 ASN N N 55 116.576 115.614 0.962 1
1 334 . 9 1 1 A 26 26 SER H H 56 8.557 7.988 0.569 1
1 335 . 9 1 1 A 26 26 SER HA H 56 4.145 4.274 -0.129 1
1 338 . 9 1 1 A 26 26 SER C C 56 176.886 174.323 2.563 1
1 339 . 9 1 1 A 26 26 SER CA C 56 61.051 59.225 1.826 1
1 340 . 9 1 1 A 26 26 SER CB C 56 62.398 61.004 1.394 1
1 341 . 9 1 1 A 26 26 SER N N 56 118.968 114.387 4.581 1
1 342 . 9 1 1 A 27 27 ALA H H 57 8.133 8.022 0.111 1
1 343 . 9 1 1 A 27 27 ALA HA H 57 4.277 4.694 -0.417 1
1 347 . 9 1 1 A 27 27 ALA C C 57 177.779 178.316 -0.537 1
1 348 . 9 1 1 A 27 27 ALA CA C 57 54.020 52.748 1.272 1
1 349 . 9 1 1 A 27 27 ALA CB C 57 18.258 21.547 -3.289 1
1 350 . 9 1 1 A 27 27 ALA N N 57 125.334 120.912 4.422 1
1 351 . 9 1 1 A 28 28 GLN H H 58 7.113 7.959 -0.846 1
1 352 . 9 1 1 A 28 28 GLN HA H 58 4.262 4.145 0.117 1
1 359 . 9 1 1 A 28 28 GLN C C 58 174.984 176.140 -1.156 1
1 360 . 9 1 1 A 28 28 GLN CA C 58 56.272 57.209 -0.937 1
1 361 . 9 1 1 A 28 28 GLN CB C 58 28.627 27.813 0.814 1
1 364 . 9 1 1 A 28 28 GLN N N 58 112.472 115.401 -2.929 1
1 366 . 9 1 1 A 29 29 PHE H H 59 7.361 7.513 -0.152 1
1 367 . 9 1 1 A 29 29 PHE HA H 59 4.622 4.832 -0.210 1
1 375 . 9 1 1 A 29 29 PHE C C 59 173.987 176.065 -2.078 1
1 376 . 9 1 1 A 29 29 PHE CA C 59 59.534 58.914 0.620 1
1 377 . 9 1 1 A 29 29 PHE CB C 59 38.939 39.941 -1.002 1
1 381 . 9 1 1 A 29 29 PHE N N 59 118.258 119.676 -1.418 1
1 382 . 9 1 1 A 30 30 GLU H H 60 9.228 9.269 -0.041 1
1 383 . 9 1 1 A 30 30 GLU HA H 60 4.479 4.810 -0.331 1
1 388 . 9 1 1 A 30 30 GLU C C 60 176.282 175.976 0.306 1
1 389 . 9 1 1 A 30 30 GLU CA C 60 57.063 56.667 0.396 1
1 390 . 9 1 1 A 30 30 GLU CB C 60 33.512 32.146 1.366 1
1 392 . 9 1 1 A 30 30 GLU N N 60 125.247 118.694 6.553 1
1 393 . 9 1 1 A 31 31 LYS H H 61 7.998 7.560 0.438 1
1 394 . 9 1 1 A 31 31 LYS HA H 61 5.074 4.706 0.368 1
1 403 . 9 1 1 A 31 31 LYS C C 61 172.325 174.409 -2.084 1
1 404 . 9 1 1 A 31 31 LYS CA C 61 54.881 55.149 -0.268 1
1 405 . 9 1 1 A 31 31 LYS CB C 61 35.683 35.304 0.379 1
1 409 . 9 1 1 A 31 31 LYS N N 61 113.709 116.911 -3.202 1
1 410 . 9 1 1 A 32 32 MET H H 62 9.051 9.137 -0.086 1
1 411 . 9 1 1 A 32 32 MET HA H 62 5.630 5.409 0.221 1
1 419 . 9 1 1 A 32 32 MET C C 62 172.898 174.293 -1.395 1
1 420 . 9 1 1 A 32 32 MET CA C 62 53.043 53.239 -0.196 1
1 421 . 9 1 1 A 32 32 MET CB C 62 35.214 35.643 -0.429 1
1 424 . 9 1 1 A 32 32 MET N N 62 118.635 118.542 0.093 1
1 425 . 9 1 1 A 33 33 VAL H H 63 9.186 8.597 0.589 1
1 426 . 9 1 1 A 33 33 VAL HA H 63 4.700 4.886 -0.186 1
1 434 . 9 1 1 A 33 33 VAL C C 63 174.133 173.590 0.543 1
1 435 . 9 1 1 A 33 33 VAL CA C 63 61.351 59.807 1.544 1
1 436 . 9 1 1 A 33 33 VAL CB C 63 34.651 35.452 -0.801 1
1 439 . 9 1 1 A 33 33 VAL N N 63 122.441 119.000 3.441 1
1 440 . 9 1 1 A 34 34 ILE H H 64 9.244 8.900 0.344 1
1 441 . 9 1 1 A 34 34 ILE HA H 64 4.302 4.792 -0.490 1
1 451 . 9 1 1 A 34 34 ILE C C 64 174.924 174.583 0.341 1
1 452 . 9 1 1 A 34 34 ILE CA C 64 60.422 59.748 0.674 1
1 453 . 9 1 1 A 34 34 ILE CB C 64 41.255 40.850 0.405 1
1 457 . 9 1 1 A 34 34 ILE N N 64 127.876 127.868 0.008 1
1 458 . 9 1 1 A 35 35 LEU H H 65 9.117 9.264 -0.147 1
1 459 . 9 1 1 A 35 35 LEU HA H 65 5.531 5.537 -0.006 1
1 469 . 9 1 1 A 35 35 LEU C C 65 178.538 176.191 2.347 1
1 470 . 9 1 1 A 35 35 LEU CA C 65 53.047 53.146 -0.099 1
1 471 . 9 1 1 A 35 35 LEU CB C 65 43.797 44.322 -0.525 1
1 475 . 9 1 1 A 35 35 LEU N N 65 125.572 128.115 -2.543 1
1 476 . 9 1 1 A 36 36 THR H H 66 8.634 8.761 -0.127 1
1 477 . 9 1 1 A 36 36 THR HA H 66 5.212 5.296 -0.084 1
1 482 . 9 1 1 A 36 36 THR C C 66 174.918 174.201 0.717 1
1 483 . 9 1 1 A 36 36 THR CA C 66 59.374 59.515 -0.141 1
1 484 . 9 1 1 A 36 36 THR CB C 66 72.100 71.402 0.698 1
1 486 . 9 1 1 A 36 36 THR N N 66 112.840 114.324 -1.484 1
1 487 . 9 1 1 A 37 37 GLU H H 67 8.580 8.660 -0.080 1
1 488 . 9 1 1 A 37 37 GLU HA H 67 4.469 4.192 0.277 1
1 493 . 9 1 1 A 37 37 GLU C C 67 177.333 176.859 0.474 1
1 494 . 9 1 1 A 37 37 GLU CA C 67 57.348 56.389 0.959 1
1 495 . 9 1 1 A 37 37 GLU CB C 67 31.357 30.373 0.984 1
1 497 . 9 1 1 A 37 37 GLU N N 67 118.675 121.665 -2.990 1
1 498 . 9 1 1 A 38 38 ASN H H 68 8.580 9.149 -0.569 1
1 499 . 9 1 1 A 38 38 ASN HA H 68 3.768 4.427 -0.659 1
1 504 . 9 1 1 A 38 38 ASN C C 68 172.921 174.602 -1.681 1
1 505 . 9 1 1 A 38 38 ASN CA C 68 54.686 54.499 0.187 1
1 506 . 9 1 1 A 38 38 ASN CB C 68 36.511 36.821 -0.310 1
1 508 . 9 1 1 A 38 38 ASN N N 68 114.341 117.597 -3.256 1
1 510 . 9 1 1 A 39 39 LYS H H 69 7.891 8.614 -0.723 1
1 511 . 9 1 1 A 39 39 LYS HA H 69 3.936 3.786 0.150 1
1 520 . 9 1 1 A 39 39 LYS C C 69 177.032 176.158 0.874 1
1 521 . 9 1 1 A 39 39 LYS CA C 69 56.758 57.463 -0.705 1
1 522 . 9 1 1 A 39 39 LYS CB C 69 28.099 29.363 -1.264 1
1 526 . 9 1 1 A 39 39 LYS N N 69 107.932 109.684 -1.752 1
1 527 . 9 1 1 A 40 40 GLY H H 70 6.998 8.151 -1.153 1
1 528 . 9 1 1 A 40 40 GLY HA2 H 70 4.362 3.892 0.470 1
1 529 . 9 1 1 A 40 40 GLY HA3 H 70 3.875 4.061 -0.186 1
1 530 . 9 1 1 A 40 40 GLY C C 70 173.763 171.603 2.160 1
1 531 . 9 1 1 A 40 40 GLY CA C 70 46.628 45.136 1.492 1
1 532 . 9 1 1 A 40 40 GLY N N 70 107.011 107.111 -0.100 1
1 533 . 9 1 1 A 41 41 TYR H H 71 7.679 8.544 -0.865 1
1 534 . 9 1 1 A 41 41 TYR HA H 71 5.097 5.328 -0.231 1
1 541 . 9 1 1 A 41 41 TYR C C 71 174.452 172.888 1.564 1
1 542 . 9 1 1 A 41 41 TYR CA C 71 57.730 56.372 1.358 1
1 543 . 9 1 1 A 41 41 TYR CB C 71 40.474 41.865 -1.391 1
1 546 . 9 1 1 A 41 41 TYR N N 71 129.822 123.266 6.556 1
1 547 . 9 1 1 A 42 42 TYR H H 72 9.101 8.657 0.444 1
1 548 . 9 1 1 A 42 42 TYR HA H 72 4.875 5.065 -0.190 1
1 555 . 9 1 1 A 42 42 TYR C C 72 174.448 174.146 0.302 1
1 556 . 9 1 1 A 42 42 TYR CA C 72 56.114 56.487 -0.373 1
1 557 . 9 1 1 A 42 42 TYR CB C 72 41.115 42.649 -1.534 1
1 560 . 9 1 1 A 42 42 TYR N N 72 126.527 126.376 0.151 1
1 561 . 9 1 1 A 43 43 THR H H 73 9.022 9.088 -0.066 1
1 562 . 9 1 1 A 43 43 THR HA H 73 4.876 5.230 -0.354 1
1 567 . 9 1 1 A 43 43 THR C C 73 174.791 172.840 1.951 1
1 568 . 9 1 1 A 43 43 THR CA C 73 62.821 59.341 3.480 1
1 569 . 9 1 1 A 43 43 THR CB C 73 68.769 71.650 -2.881 1
1 571 . 9 1 1 A 43 43 THR N N 73 120.810 117.092 3.718 1
1 572 . 9 1 1 A 44 44 VAL H H 74 9.233 8.926 0.307 1
1 573 . 9 1 1 A 44 44 VAL HA H 74 4.427 4.655 -0.228 1
1 581 . 9 1 1 A 44 44 VAL C C 74 175.094 174.384 0.710 1
1 582 . 9 1 1 A 44 44 VAL CA C 74 61.457 60.984 0.473 1
1 583 . 9 1 1 A 44 44 VAL CB C 74 35.669 35.678 -0.009 1
1 586 . 9 1 1 A 44 44 VAL N N 74 129.156 126.408 2.748 1
1 587 . 9 1 1 A 45 45 TYR H H 75 9.384 8.889 0.495 1
1 588 . 9 1 1 A 45 45 TYR HA H 75 4.528 4.706 -0.178 1
1 595 . 9 1 1 A 45 45 TYR C C 75 176.497 176.110 0.387 1
1 596 . 9 1 1 A 45 45 TYR CA C 75 59.843 58.236 1.607 1
1 597 . 9 1 1 A 45 45 TYR CB C 75 38.245 39.347 -1.102 1
1 600 . 9 1 1 A 45 45 TYR N N 75 128.465 126.869 1.596 1
1 601 . 9 1 1 A 46 46 LEU H H 76 8.524 9.118 -0.594 1
1 602 . 9 1 1 A 46 46 LEU HA H 76 4.528 4.404 0.124 1
1 612 . 9 1 1 A 46 46 LEU C C 76 177.001 178.206 -1.205 1
1 613 . 9 1 1 A 46 46 LEU CA C 76 55.010 55.284 -0.274 1
1 614 . 9 1 1 A 46 46 LEU CB C 76 42.094 42.556 -0.462 1
1 618 . 9 1 1 A 46 46 LEU N N 76 119.547 124.942 -5.395 1
1 619 . 9 1 1 A 47 47 ASN H H 77 8.599 7.827 0.772 1
1 620 . 9 1 1 A 47 47 ASN HA H 77 4.618 4.630 -0.012 1
1 625 . 9 1 1 A 47 47 ASN C C 77 173.844 175.521 -1.677 1
1 626 . 9 1 1 A 47 47 ASN CA C 77 54.045 56.108 -2.063 1
1 627 . 9 1 1 A 47 47 ASN CB C 77 37.058 38.835 -1.777 1
1 629 . 9 1 1 A 47 47 ASN N N 77 116.407 116.347 0.060 1
1 631 . 9 1 1 A 48 48 THR H H 78 7.429 7.800 -0.371 1
1 632 . 9 1 1 A 48 48 THR HA H 78 4.803 5.109 -0.306 1
1 637 . 9 1 1 A 48 48 THR C C 78 175.201 171.905 3.296 1
1 638 . 9 1 1 A 48 48 THR CA C 78 58.577 59.084 -0.507 1
1 639 . 9 1 1 A 48 48 THR CB C 78 70.494 71.450 -0.956 1
1 641 . 9 1 1 A 48 48 THR N N 78 111.551 108.633 2.918 1
1 642 . 9 1 1 A 49 49 PRO HA H 79 4.462 4.537 -0.075 1
1 649 . 9 1 1 A 49 49 PRO C C 79 176.670 176.973 -0.303 1
1 650 . 9 1 1 A 49 49 PRO CA C 79 62.384 62.626 -0.242 1
1 651 . 9 1 1 A 49 49 PRO CB C 79 32.205 31.988 0.217 1
1 654 . 9 1 1 A 50 50 LEU H H 80 9.049 8.347 0.702 1
1 655 . 9 1 1 A 50 50 LEU HA H 80 4.081 4.532 -0.451 1
1 665 . 9 1 1 A 50 50 LEU C C 80 176.758 176.826 -0.068 1
1 666 . 9 1 1 A 50 50 LEU CA C 80 55.315 53.432 1.883 1
1 667 . 9 1 1 A 50 50 LEU CB C 80 41.915 43.250 -1.335 1
1 671 . 9 1 1 A 50 50 LEU N N 80 126.341 118.988 7.353 1
1 672 . 9 1 1 A 51 51 ALA H H 81 8.415 8.985 -0.570 1
1 673 . 9 1 1 A 51 51 ALA HA H 81 4.187 4.380 -0.193 1
1 677 . 9 1 1 A 51 51 ALA C C 81 179.005 178.604 0.401 1
1 678 . 9 1 1 A 51 51 ALA CA C 81 52.851 52.392 0.459 1
1 679 . 9 1 1 A 51 51 ALA CB C 81 19.625 19.091 0.534 1
1 680 . 9 1 1 A 51 51 ALA N N 81 129.745 123.213 6.532 1
1 681 . 9 1 1 A 52 52 GLU H H 82 8.739 8.897 -0.158 1
1 682 . 9 1 1 A 52 52 GLU HA H 82 3.815 4.002 -0.187 1
1 687 . 9 1 1 A 52 52 GLU C C 82 178.591 177.946 0.645 1
1 688 . 9 1 1 A 52 52 GLU CA C 82 59.566 59.525 0.041 1
1 689 . 9 1 1 A 52 52 GLU CB C 82 29.774 29.366 0.408 1
1 691 . 9 1 1 A 52 52 GLU N N 82 121.424 123.438 -2.014 1
1 692 . 9 1 1 A 53 53 ASP H H 83 8.511 8.163 0.348 1
1 693 . 9 1 1 A 53 53 ASP HA H 83 4.427 4.471 -0.044 1
1 696 . 9 1 1 A 53 53 ASP C C 83 177.306 177.333 -0.027 1
1 697 . 9 1 1 A 53 53 ASP CA C 83 55.398 56.530 -1.132 1
1 698 . 9 1 1 A 53 53 ASP CB C 83 39.430 40.466 -1.036 1
1 699 . 9 1 1 A 53 53 ASP N N 83 114.043 118.963 -4.920 1
1 700 . 9 1 1 A 54 54 ARG H H 84 7.800 7.712 0.088 1
1 701 . 9 1 1 A 54 54 ARG HA H 84 4.527 4.340 0.187 1
1 710 . 9 1 1 A 54 54 ARG C C 84 176.966 178.236 -1.270 1
1 711 . 9 1 1 A 54 54 ARG CA C 84 55.915 57.347 -1.432 1
1 712 . 9 1 1 A 54 54 ARG CB C 84 31.804 30.833 0.971 1
1 715 . 9 1 1 A 54 54 ARG N N 84 118.147 118.320 -0.173 1
1 718 . 9 1 1 A 55 55 LYS H H 85 7.335 8.172 -0.837 1
1 719 . 9 1 1 A 55 55 LYS HA H 85 3.551 4.061 -0.510 1
1 728 . 9 1 1 A 55 55 LYS C C 85 178.113 178.908 -0.795 1
1 729 . 9 1 1 A 55 55 LYS CA C 85 59.887 59.634 0.253 1
1 730 . 9 1 1 A 55 55 LYS CB C 85 32.935 32.332 0.603 1
1 734 . 9 1 1 A 55 55 LYS N N 85 116.576 120.122 -3.546 1
1 735 . 9 1 1 A 56 56 ASN H H 86 8.347 7.719 0.628 1
1 736 . 9 1 1 A 56 56 ASN HA H 86 4.886 4.794 0.092 1
1 741 . 9 1 1 A 56 56 ASN C C 86 174.736 175.251 -0.515 1
1 742 . 9 1 1 A 56 56 ASN CA C 86 52.265 53.700 -1.435 1
1 743 . 9 1 1 A 56 56 ASN CB C 86 38.239 39.157 -0.918 1
1 745 . 9 1 1 A 56 56 ASN N N 86 114.341 115.285 -0.944 1
1 747 . 9 1 1 A 57 57 VAL H H 87 6.985 7.295 -0.310 1
1 748 . 9 1 1 A 57 57 VAL HA H 87 3.746 4.081 -0.335 1
1 756 . 9 1 1 A 57 57 VAL C C 87 175.380 176.041 -0.661 1
1 757 . 9 1 1 A 57 57 VAL CA C 87 63.723 62.188 1.535 1
1 758 . 9 1 1 A 57 57 VAL CB C 87 32.650 32.776 -0.126 1
1 761 . 9 1 1 A 57 57 VAL N N 87 121.424 121.607 -0.183 1
1 762 . 9 1 1 A 58 58 GLU H H 88 8.777 8.617 0.160 1
1 763 . 9 1 1 A 58 58 GLU HA H 88 4.339 4.619 -0.280 1
1 768 . 9 1 1 A 58 58 GLU C C 88 176.364 176.983 -0.619 1
1 769 . 9 1 1 A 58 58 GLU CA C 88 56.085 56.376 -0.291 1
1 770 . 9 1 1 A 58 58 GLU CB C 88 29.861 30.584 -0.723 1
1 772 . 9 1 1 A 58 58 GLU N N 88 129.489 127.124 2.365 1
1 773 . 9 1 1 A 59 59 LEU H H 89 8.230 8.738 -0.508 1
1 774 . 9 1 1 A 59 59 LEU HA H 89 4.299 4.053 0.246 1
1 784 . 9 1 1 A 59 59 LEU C C 89 178.976 177.840 1.136 1
1 785 . 9 1 1 A 59 59 LEU CA C 89 54.651 54.968 -0.317 1
1 786 . 9 1 1 A 59 59 LEU CB C 89 42.596 41.723 0.873 1
1 790 . 9 1 1 A 59 59 LEU N N 89 124.395 125.905 -1.510 1
1 791 . 9 1 1 A 60 60 LEU H H 90 7.777 8.951 -1.174 1
1 792 . 9 1 1 A 60 60 LEU HA H 90 4.135 4.114 0.021 1
1 802 . 9 1 1 A 60 60 LEU C C 90 176.394 176.751 -0.357 1
1 803 . 9 1 1 A 60 60 LEU CA C 90 56.754 57.438 -0.684 1
1 804 . 9 1 1 A 60 60 LEU CB C 90 42.413 42.420 -0.007 1
1 808 . 9 1 1 A 60 60 LEU N N 90 119.734 124.527 -4.793 1
1 809 . 9 1 1 A 61 61 GLY H H 91 7.224 7.616 -0.392 1
1 810 . 9 1 1 A 61 61 GLY HA2 H 91 4.165 3.999 0.166 1
1 811 . 9 1 1 A 61 61 GLY HA3 H 91 3.899 4.002 -0.103 1
1 812 . 9 1 1 A 61 61 GLY C C 91 171.742 172.568 -0.826 1
1 813 . 9 1 1 A 61 61 GLY CA C 91 44.969 45.584 -0.615 1
1 814 . 9 1 1 A 61 61 GLY N N 91 103.707 104.189 -0.482 1
1 815 . 9 1 1 A 62 62 LYS H H 92 8.771 8.388 0.383 1
1 816 . 9 1 1 A 62 62 LYS HA H 92 4.150 4.341 -0.191 1
1 825 . 9 1 1 A 62 62 LYS C C 92 177.522 175.888 1.634 1
1 826 . 9 1 1 A 62 62 LYS CA C 92 56.750 56.245 0.505 1
1 827 . 9 1 1 A 62 62 LYS CB C 92 33.835 33.250 0.585 1
1 831 . 9 1 1 A 62 62 LYS N N 92 118.635 121.098 -2.463 1
1 832 . 9 1 1 A 63 63 MET H H 93 9.188 8.395 0.793 1
1 833 . 9 1 1 A 63 63 MET HA H 93 3.835 4.516 -0.681 1
1 841 . 9 1 1 A 63 63 MET C C 93 173.913 175.626 -1.713 1
1 842 . 9 1 1 A 63 63 MET CA C 93 59.275 53.923 5.352 1
1 843 . 9 1 1 A 63 63 MET CB C 93 31.483 31.293 0.190 1
1 846 . 9 1 1 A 63 63 MET N N 93 123.413 124.450 -1.037 1
1 847 . 9 1 1 A 64 64 TYR H H 94 9.421 8.656 0.765 1
1 848 . 9 1 1 A 64 64 TYR HA H 94 4.767 4.054 0.713 1
1 855 . 9 1 1 A 64 64 TYR C C 94 173.918 175.039 -1.121 1
1 856 . 9 1 1 A 64 64 TYR CA C 94 56.933 61.685 -4.752 1
1 857 . 9 1 1 A 64 64 TYR CB C 94 40.020 39.071 0.949 1
1 860 . 9 1 1 A 64 64 TYR N N 94 129.403 126.153 3.250 1
1 861 . 9 1 1 A 65 65 LYS H H 95 7.289 7.550 -0.261 1
1 862 . 9 1 1 A 65 65 LYS HA H 95 4.688 4.718 -0.030 1
1 871 . 9 1 1 A 65 65 LYS C C 95 175.000 174.093 0.907 1
1 872 . 9 1 1 A 65 65 LYS CA C 95 55.841 55.646 0.195 1
1 873 . 9 1 1 A 65 65 LYS CB C 95 40.404 35.971 4.433 1
1 877 . 9 1 1 A 65 65 LYS N N 95 118.804 118.402 0.402 1
1 878 . 9 1 1 A 66 66 THR H H 96 8.727 8.113 0.614 1
1 879 . 9 1 1 A 66 66 THR HA H 96 5.149 5.217 -0.068 1
1 885 . 9 1 1 A 66 66 THR C C 96 172.120 172.489 -0.369 1
1 886 . 9 1 1 A 66 66 THR CA C 96 62.226 60.311 1.915 1
1 887 . 9 1 1 A 66 66 THR CB C 96 71.787 71.901 -0.114 1
1 889 . 9 1 1 A 66 66 THR N N 96 116.235 118.366 -2.131 1
1 890 . 9 1 1 A 67 67 TYR H H 97 8.969 8.958 0.011 1
1 891 . 9 1 1 A 67 67 TYR HA H 97 5.027 5.107 -0.080 1
1 898 . 9 1 1 A 67 67 TYR C C 97 175.077 174.304 0.773 1
1 899 . 9 1 1 A 67 67 TYR CA C 97 57.278 56.521 0.757 1
1 900 . 9 1 1 A 67 67 TYR CB C 97 42.054 42.909 -0.855 1
1 903 . 9 1 1 A 67 67 TYR N N 97 125.256 123.500 1.756 1
1 904 . 9 1 1 A 68 68 PHE H H 98 9.189 8.836 0.353 1
1 905 . 9 1 1 A 68 68 PHE HA H 98 5.177 5.038 0.139 1
1 913 . 9 1 1 A 68 68 PHE C C 98 174.791 174.771 0.020 1
1 914 . 9 1 1 A 68 68 PHE CA C 98 57.825 56.576 1.249 1
1 915 . 9 1 1 A 68 68 PHE CB C 98 42.377 43.141 -0.764 1
1 919 . 9 1 1 A 68 68 PHE N N 98 118.574 119.712 -1.138 1
1 920 . 9 1 1 A 69 69 PHE H H 99 8.976 9.220 -0.244 1
1 921 . 9 1 1 A 69 69 PHE HA H 99 4.893 5.271 -0.378 1
1 929 . 9 1 1 A 69 69 PHE C C 99 176.386 175.611 0.775 1
1 930 . 9 1 1 A 69 69 PHE CA C 99 56.777 56.282 0.495 1
1 931 . 9 1 1 A 69 69 PHE CB C 99 41.371 42.367 -0.996 1
1 935 . 9 1 1 A 69 69 PHE N N 99 119.573 120.773 -1.200 1
1 936 . 9 1 1 A 70 70 LYS H H 100 9.479 9.102 0.377 1
1 937 . 9 1 1 A 70 70 LYS HA H 100 4.533 4.398 0.135 1
1 946 . 9 1 1 A 70 70 LYS C C 100 176.156 176.427 -0.271 1
1 947 . 9 1 1 A 70 70 LYS CA C 100 56.706 56.527 0.179 1
1 948 . 9 1 1 A 70 70 LYS CB C 100 33.667 33.172 0.495 1
1 952 . 9 1 1 A 70 70 LYS N N 100 125.614 123.525 2.089 1
1 953 . 9 1 1 A 71 71 LYS H H 101 8.068 8.647 -0.579 1
1 954 . 9 1 1 A 71 71 LYS HA H 101 4.188 4.233 -0.045 1
1 963 . 9 1 1 A 71 71 LYS C C 101 177.655 177.418 0.237 1
1 964 . 9 1 1 A 71 71 LYS CA C 101 58.238 58.385 -0.147 1
1 965 . 9 1 1 A 71 71 LYS CB C 101 32.342 32.035 0.307 1
1 969 . 9 1 1 A 71 71 LYS N N 101 121.057 123.127 -2.070 1
1 970 . 9 1 1 A 72 72 GLY H H 102 8.899 9.243 -0.344 1
1 971 . 9 1 1 A 72 72 GLY HA2 H 102 4.196 3.987 0.209 1
1 972 . 9 1 1 A 72 72 GLY HA3 H 102 3.815 3.996 -0.181 1
1 973 . 9 1 1 A 72 72 GLY C C 102 173.997 174.476 -0.479 1
1 974 . 9 1 1 A 72 72 GLY CA C 102 45.802 44.946 0.856 1
1 975 . 9 1 1 A 72 72 GLY N N 102 114.112 115.011 -0.899 1
1 976 . 9 1 1 A 73 73 GLU H H 103 8.047 8.133 -0.086 1
1 977 . 9 1 1 A 73 73 GLU HA H 103 4.764 4.472 0.292 1
1 982 . 9 1 1 A 73 73 GLU C C 103 175.975 176.389 -0.414 1
1 983 . 9 1 1 A 73 73 GLU CA C 103 56.295 56.589 -0.294 1
1 984 . 9 1 1 A 73 73 GLU CB C 103 31.153 30.974 0.179 1
1 986 . 9 1 1 A 73 73 GLU N N 103 119.538 121.167 -1.629 1
1 987 . 9 1 1 A 74 74 SER H H 104 8.742 8.984 -0.242 1
1 988 . 9 1 1 A 74 74 SER HA H 104 4.598 4.676 -0.078 1
1 991 . 9 1 1 A 74 74 SER C C 104 171.916 173.635 -1.719 1
1 992 . 9 1 1 A 74 74 SER CA C 104 58.363 58.068 0.295 1
1 993 . 9 1 1 A 74 74 SER CB C 104 64.025 64.668 -0.643 1
1 994 . 9 1 1 A 74 74 SER N N 104 115.383 116.738 -1.355 1
1 995 . 9 1 1 A 75 75 LYS H H 105 7.608 7.618 -0.010 1
1 996 . 9 1 1 A 75 75 LYS HA H 105 5.588 5.165 0.423 1
1 1005 . 9 1 1 A 75 75 LYS C C 105 176.017 174.713 1.304 1
1 1006 . 9 1 1 A 75 75 LYS CA C 105 54.548 55.735 -1.187 1
1 1007 . 9 1 1 A 75 75 LYS CB C 105 35.211 36.107 -0.896 1
1 1011 . 9 1 1 A 75 75 LYS N N 105 121.040 122.285 -1.245 1
1 1012 . 9 1 1 A 76 76 SER H H 106 8.231 9.120 -0.889 1
1 1013 . 9 1 1 A 76 76 SER HA H 106 3.377 4.079 -0.702 1
1 1016 . 9 1 1 A 76 76 SER C C 106 172.571 174.184 -1.613 1
1 1017 . 9 1 1 A 76 76 SER CA C 106 59.650 57.691 1.959 1
1 1018 . 9 1 1 A 76 76 SER CB C 106 64.857 64.455 0.402 1
1 1019 . 9 1 1 A 76 76 SER N N 106 121.783 118.344 3.439 1
1 1020 . 9 1 1 A 77 77 SER H H 107 8.333 8.979 -0.646 1
1 1021 . 9 1 1 A 77 77 SER HA H 107 5.025 4.677 0.348 1
1 1024 . 9 1 1 A 77 77 SER C C 107 174.507 173.518 0.989 1
1 1025 . 9 1 1 A 77 77 SER CA C 107 57.561 58.465 -0.904 1
1 1026 . 9 1 1 A 77 77 SER CB C 107 65.330 65.749 -0.419 1
1 1027 . 9 1 1 A 77 77 SER N N 107 106.276 116.673 -10.397 1
1 1028 . 9 1 1 A 78 78 TYR H H 108 7.825 7.225 0.600 1
1 1029 . 9 1 1 A 78 78 TYR HA H 108 4.754 4.794 -0.040 1
1 1036 . 9 1 1 A 78 78 TYR C C 108 171.725 173.667 -1.942 1
1 1037 . 9 1 1 A 78 78 TYR CA C 108 57.778 57.016 0.762 1
1 1038 . 9 1 1 A 78 78 TYR CB C 108 43.223 41.869 1.354 1
1 1041 . 9 1 1 A 78 78 TYR N N 108 126.289 119.524 6.765 1
1 1042 . 9 1 1 A 79 79 VAL H H 109 7.760 8.479 -0.719 1
1 1043 . 9 1 1 A 79 79 VAL HA H 109 5.215 5.008 0.207 1
1 1051 . 9 1 1 A 79 79 VAL C C 109 172.526 174.273 -1.747 1
1 1052 . 9 1 1 A 79 79 VAL CA C 109 59.193 59.458 -0.265 1
1 1053 . 9 1 1 A 79 79 VAL CB C 109 36.173 35.947 0.226 1
1 1056 . 9 1 1 A 79 79 VAL N N 109 127.825 121.415 6.410 1
1 1057 . 9 1 1 A 80 80 ILE H H 110 8.616 8.273 0.343 1
1 1058 . 9 1 1 A 80 80 ILE HA H 110 4.011 4.440 -0.429 1
1 1068 . 9 1 1 A 80 80 ILE C C 110 174.690 174.402 0.288 1
1 1069 . 9 1 1 A 80 80 ILE CA C 110 60.922 60.108 0.814 1
1 1070 . 9 1 1 A 80 80 ILE CB C 110 42.047 41.316 0.731 1
1 1074 . 9 1 1 A 80 80 ILE N N 110 124.001 121.348 2.653 1
1 1075 . 9 1 1 A 81 81 ASN H H 111 8.937 8.312 0.625 1
1 1076 . 9 1 1 A 81 81 ASN HA H 111 4.760 5.295 -0.535 1
1 1081 . 9 1 1 A 81 81 ASN C C 111 175.326 175.159 0.167 1
1 1082 . 9 1 1 A 81 81 ASN CA C 111 53.600 51.686 1.914 1
1 1083 . 9 1 1 A 81 81 ASN CB C 111 40.412 40.694 -0.282 1
1 1085 . 9 1 1 A 81 81 ASN N N 111 126.229 124.383 1.846 1
1 1087 . 9 1 1 A 82 82 GLY H H 112 7.984 7.897 0.087 1
1 1088 . 9 1 1 A 82 82 GLY HA2 H 112 4.457 4.232 0.225 1
1 1089 . 9 1 1 A 82 82 GLY HA3 H 112 3.847 4.247 -0.400 1
1 1090 . 9 1 1 A 82 82 GLY C C 112 171.875 172.678 -0.803 1
1 1091 . 9 1 1 A 82 82 GLY CA C 112 43.303 45.340 -2.037 1
1 1092 . 9 1 1 A 82 82 GLY N N 112 110.894 108.293 2.601 1
1 1093 . 9 1 1 A 83 83 PRO HA H 113 4.609 4.742 -0.133 1
1 1100 . 9 1 1 A 83 83 PRO C C 113 178.327 176.632 1.695 1
1 1101 . 9 1 1 A 83 83 PRO CA C 113 63.342 62.862 0.480 1
1 1102 . 9 1 1 A 83 83 PRO CB C 113 32.232 31.666 0.566 1
1 1105 . 9 1 1 A 84 84 GLY H H 114 8.939 8.193 0.746 1
1 1106 . 9 1 1 A 84 84 GLY HA2 H 114 4.055 4.253 -0.198 1
1 1107 . 9 1 1 A 84 84 GLY HA3 H 114 3.192 4.311 -1.119 1
1 1108 . 9 1 1 A 84 84 GLY C C 114 172.587 173.937 -1.350 1
1 1109 . 9 1 1 A 84 84 GLY CA C 114 44.667 45.560 -0.893 1
1 1110 . 9 1 1 A 84 84 GLY N N 114 109.324 109.459 -0.135 1
1 1111 . 9 1 1 A 85 85 LYS H H 115 9.550 8.760 0.790 1
1 1112 . 9 1 1 A 85 85 LYS HA H 115 4.527 4.585 -0.058 1
1 1121 . 9 1 1 A 85 85 LYS C C 115 175.690 176.329 -0.639 1
1 1122 . 9 1 1 A 85 85 LYS CA C 115 56.251 57.172 -0.921 1
1 1123 . 9 1 1 A 85 85 LYS CB C 115 34.217 33.900 0.317 1
1 1127 . 9 1 1 A 85 85 LYS N N 115 119.240 120.768 -1.528 1
1 1128 . 9 1 1 A 86 86 THR H H 116 7.327 7.648 -0.321 1
1 1129 . 9 1 1 A 86 86 THR HA H 116 3.572 4.506 -0.934 1
1 1134 . 9 1 1 A 86 86 THR C C 116 170.519 173.375 -2.856 1
1 1135 . 9 1 1 A 86 86 THR CA C 116 59.094 60.578 -1.484 1
1 1136 . 9 1 1 A 86 86 THR CB C 116 68.191 70.211 -2.020 1
1 1138 . 9 1 1 A 86 86 THR N N 116 113.403 112.842 0.561 1
1 1139 . 9 1 1 A 87 87 ASN H H 117 8.035 8.758 -0.723 1
1 1140 . 9 1 1 A 87 87 ASN HA H 117 4.914 4.498 0.416 1
1 1145 . 9 1 1 A 87 87 ASN C C 117 175.798 176.718 -0.920 1
1 1146 . 9 1 1 A 87 87 ASN CA C 117 52.062 55.334 -3.272 1
1 1147 . 9 1 1 A 87 87 ASN CB C 117 40.563 38.030 2.533 1
1 1149 . 9 1 1 A 87 87 ASN N N 117 118.907 123.503 -4.596 1
1 1151 . 9 1 1 A 88 88 GLU H H 118 8.362 7.485 0.877 1
1 1152 . 9 1 1 A 88 88 GLU HA H 118 4.116 4.440 -0.324 1
1 1157 . 9 1 1 A 88 88 GLU C C 118 175.935 175.907 0.028 1
1 1158 . 9 1 1 A 88 88 GLU CA C 118 55.589 56.211 -0.622 1
1 1159 . 9 1 1 A 88 88 GLU CB C 118 29.435 29.500 -0.065 1
1 1161 . 9 1 1 A 88 88 GLU N N 118 119.547 117.064 2.483 1
1 1162 . 9 1 1 A 89 89 TYR H H 119 7.918 7.996 -0.078 1
1 1163 . 9 1 1 A 89 89 TYR HA H 119 4.639 4.774 -0.135 1
1 1170 . 9 1 1 A 89 89 TYR C C 119 175.750 175.524 0.226 1
1 1171 . 9 1 1 A 89 89 TYR CA C 119 59.270 58.645 0.625 1
1 1172 . 9 1 1 A 89 89 TYR CB C 119 38.274 37.205 1.069 1
1 1175 . 9 1 1 A 89 89 TYR N N 119 118.293 118.255 0.038 1
1 1176 . 9 1 1 A 90 90 ALA H H 120 8.285 8.672 -0.387 1
1 1177 . 9 1 1 A 90 90 ALA HA H 120 4.273 4.756 -0.483 1
1 1181 . 9 1 1 A 90 90 ALA C C 120 175.773 176.776 -1.003 1
1 1182 . 9 1 1 A 90 90 ALA CA C 120 52.014 51.512 0.502 1
1 1183 . 9 1 1 A 90 90 ALA CB C 120 19.920 20.148 -0.228 1
1 1184 . 9 1 1 A 90 90 ALA N N 120 126.212 129.977 -3.765 1
1 11 . 10 1 1 A 2 2 SER HA H 32 4.469 4.732 -0.263 1
1 14 . 10 1 1 A 2 2 SER C C 32 174.865 174.367 0.498 1
1 15 . 10 1 1 A 2 2 SER CA C 32 58.680 58.474 0.206 1
1 16 . 10 1 1 A 2 2 SER CB C 32 63.805 66.304 -2.499 1
1 17 . 10 1 1 A 3 3 GLY H H 33 8.513 8.026 0.487 1
1 18 . 10 1 1 A 3 3 GLY HA2 H 33 3.972 4.056 -0.084 1
1 19 . 10 1 1 A 3 3 GLY HA3 H 33 3.972 4.058 -0.086 1
1 20 . 10 1 1 A 3 3 GLY C C 33 173.735 173.266 0.469 1
1 21 . 10 1 1 A 3 3 GLY CA C 33 45.132 44.374 0.758 1
1 22 . 10 1 1 A 3 3 GLY N N 33 110.526 109.655 0.871 1
1 23 . 10 1 1 A 4 4 LEU H H 34 8.145 8.422 -0.277 1
1 24 . 10 1 1 A 4 4 LEU HA H 34 4.599 4.470 0.129 1
1 34 . 10 1 1 A 4 4 LEU C C 34 175.201 175.524 -0.323 1
1 35 . 10 1 1 A 4 4 LEU CA C 34 53.002 53.159 -0.157 1
1 36 . 10 1 1 A 4 4 LEU CB C 34 41.772 42.140 -0.368 1
1 40 . 10 1 1 A 4 4 LEU N N 34 122.423 121.287 1.136 1
1 41 . 10 1 1 A 5 5 PRO HA H 35 4.551 4.925 -0.374 1
1 48 . 10 1 1 A 5 5 PRO C C 35 176.487 176.595 -0.108 1
1 49 . 10 1 1 A 5 5 PRO CA C 35 62.771 62.521 0.250 1
1 50 . 10 1 1 A 5 5 PRO CB C 35 32.488 33.350 -0.862 1
1 53 . 10 1 1 A 6 6 THR H H 36 8.447 8.503 -0.056 1
1 54 . 10 1 1 A 6 6 THR HA H 36 4.445 4.524 -0.079 1
1 59 . 10 1 1 A 6 6 THR C C 36 174.231 173.548 0.683 1
1 60 . 10 1 1 A 6 6 THR CA C 36 61.727 61.346 0.381 1
1 61 . 10 1 1 A 6 6 THR CB C 36 69.213 71.235 -2.022 1
1 63 . 10 1 1 A 6 6 THR N N 36 111.916 114.678 -2.762 1
1 64 . 10 1 1 A 7 7 THR H H 37 7.303 7.329 -0.026 1
1 65 . 10 1 1 A 7 7 THR HA H 37 5.232 4.930 0.302 1
1 70 . 10 1 1 A 7 7 THR C C 37 175.848 174.723 1.125 1
1 71 . 10 1 1 A 7 7 THR CA C 37 58.599 59.434 -0.835 1
1 72 . 10 1 1 A 7 7 THR CB C 37 71.971 72.276 -0.305 1
1 74 . 10 1 1 A 7 7 THR N N 37 110.288 111.925 -1.637 1
1 75 . 10 1 1 A 8 8 LEU H H 38 9.065 8.808 0.257 1
1 76 . 10 1 1 A 8 8 LEU HA H 38 3.829 3.922 -0.093 1
1 86 . 10 1 1 A 8 8 LEU C C 38 177.964 178.940 -0.976 1
1 87 . 10 1 1 A 8 8 LEU CA C 38 57.613 57.986 -0.373 1
1 88 . 10 1 1 A 8 8 LEU CB C 38 41.058 41.277 -0.219 1
1 92 . 10 1 1 A 8 8 LEU N N 38 122.441 123.870 -1.429 1
1 93 . 10 1 1 A 9 9 GLY H H 39 8.753 7.958 0.795 1
1 94 . 10 1 1 A 9 9 GLY HA2 H 39 3.969 3.772 0.197 1
1 95 . 10 1 1 A 9 9 GLY HA3 H 39 3.769 3.774 -0.005 1
1 96 . 10 1 1 A 9 9 GLY C C 39 176.615 175.526 1.089 1
1 97 . 10 1 1 A 9 9 GLY CA C 39 47.314 47.084 0.230 1
1 98 . 10 1 1 A 9 9 GLY N N 39 104.356 106.977 -2.621 1
1 99 . 10 1 1 A 10 10 LYS H H 40 7.341 7.966 -0.625 1
1 100 . 10 1 1 A 10 10 LYS HA H 40 4.241 3.983 0.258 1
1 109 . 10 1 1 A 10 10 LYS C C 40 179.292 179.334 -0.042 1
1 110 . 10 1 1 A 10 10 LYS CA C 40 58.108 59.450 -1.342 1
1 111 . 10 1 1 A 10 10 LYS CB C 40 32.346 32.366 -0.020 1
1 115 . 10 1 1 A 10 10 LYS N N 40 120.741 122.125 -1.384 1
1 116 . 10 1 1 A 11 11 LEU H H 41 8.033 7.710 0.323 1
1 117 . 10 1 1 A 11 11 LEU HA H 41 4.059 4.026 0.033 1
1 127 . 10 1 1 A 11 11 LEU C C 41 177.253 177.823 -0.570 1
1 128 . 10 1 1 A 11 11 LEU CA C 41 57.978 57.922 0.056 1
1 129 . 10 1 1 A 11 11 LEU CB C 41 41.760 41.771 -0.011 1
1 133 . 10 1 1 A 11 11 LEU N N 41 121.501 121.214 0.287 1
1 134 . 10 1 1 A 12 12 ASP H H 42 9.025 8.570 0.455 1
1 135 . 10 1 1 A 12 12 ASP HA H 42 4.045 4.277 -0.232 1
1 138 . 10 1 1 A 12 12 ASP C C 42 176.536 178.990 -2.454 1
1 139 . 10 1 1 A 12 12 ASP CA C 42 58.740 58.054 0.686 1
1 140 . 10 1 1 A 12 12 ASP CB C 42 44.783 42.399 2.384 1
1 141 . 10 1 1 A 12 12 ASP N N 42 119.776 118.921 0.855 1
1 142 . 10 1 1 A 13 13 GLU H H 43 7.253 8.300 -1.047 1
1 143 . 10 1 1 A 13 13 GLU HA H 43 3.869 4.116 -0.247 1
1 148 . 10 1 1 A 13 13 GLU C C 43 178.916 178.350 0.566 1
1 149 . 10 1 1 A 13 13 GLU CA C 43 59.511 59.213 0.298 1
1 150 . 10 1 1 A 13 13 GLU CB C 43 30.131 29.287 0.844 1
1 152 . 10 1 1 A 13 13 GLU N N 43 116.304 119.078 -2.774 1
1 153 . 10 1 1 A 14 14 ARG H H 44 7.234 7.590 -0.356 1
1 154 . 10 1 1 A 14 14 ARG HA H 44 3.920 4.184 -0.264 1
1 163 . 10 1 1 A 14 14 ARG C C 44 177.609 178.985 -1.376 1
1 164 . 10 1 1 A 14 14 ARG CA C 44 58.607 58.973 -0.366 1
1 165 . 10 1 1 A 14 14 ARG CB C 44 30.304 30.127 0.177 1
1 168 . 10 1 1 A 14 14 ARG N N 44 118.267 120.417 -2.150 1
1 171 . 10 1 1 A 15 15 LEU H H 45 8.734 8.960 -0.226 1
1 172 . 10 1 1 A 15 15 LEU HA H 45 3.809 4.157 -0.348 1
1 182 . 10 1 1 A 15 15 LEU C C 45 179.204 179.494 -0.290 1
1 183 . 10 1 1 A 15 15 LEU CA C 45 58.248 58.217 0.031 1
1 184 . 10 1 1 A 15 15 LEU CB C 45 42.076 41.616 0.460 1
1 188 . 10 1 1 A 15 15 LEU N N 45 117.856 120.206 -2.350 1
1 189 . 10 1 1 A 16 16 ARG H H 46 8.280 8.541 -0.261 1
1 190 . 10 1 1 A 16 16 ARG HA H 46 3.863 4.102 -0.239 1
1 200 . 10 1 1 A 16 16 ARG C C 46 179.432 179.029 0.403 1
1 201 . 10 1 1 A 16 16 ARG CA C 46 60.779 59.571 1.208 1
1 202 . 10 1 1 A 16 16 ARG CB C 46 29.824 29.867 -0.043 1
1 205 . 10 1 1 A 16 16 ARG N N 46 115.954 119.401 -3.447 1
1 209 . 10 1 1 A 17 17 ASN H H 47 7.433 8.054 -0.621 1
1 210 . 10 1 1 A 17 17 ASN HA H 47 4.458 4.512 -0.054 1
1 215 . 10 1 1 A 17 17 ASN C C 47 177.657 178.264 -0.607 1
1 216 . 10 1 1 A 17 17 ASN CA C 47 56.297 56.222 0.075 1
1 217 . 10 1 1 A 17 17 ASN CB C 47 38.540 38.139 0.401 1
1 219 . 10 1 1 A 17 17 ASN N N 47 118.514 117.996 0.518 1
1 221 . 10 1 1 A 18 18 TYR H H 48 8.945 8.201 0.744 1
1 222 . 10 1 1 A 18 18 TYR HA H 48 4.184 4.313 -0.129 1
1 229 . 10 1 1 A 18 18 TYR C C 48 177.806 178.378 -0.572 1
1 230 . 10 1 1 A 18 18 TYR CA C 48 58.651 60.629 -1.978 1
1 231 . 10 1 1 A 18 18 TYR CB C 48 36.527 37.976 -1.449 1
1 234 . 10 1 1 A 18 18 TYR N N 48 121.714 119.011 2.703 1
1 235 . 10 1 1 A 19 19 LEU H H 49 8.293 7.908 0.385 1
1 236 . 10 1 1 A 19 19 LEU HA H 49 3.410 3.515 -0.105 1
1 246 . 10 1 1 A 19 19 LEU C C 49 179.153 179.334 -0.181 1
1 247 . 10 1 1 A 19 19 LEU CA C 49 57.822 58.053 -0.231 1
1 248 . 10 1 1 A 19 19 LEU CB C 49 41.929 41.264 0.665 1
1 252 . 10 1 1 A 19 19 LEU N N 49 119.284 119.975 -0.691 1
1 253 . 10 1 1 A 20 20 LYS H H 50 7.322 8.071 -0.749 1
1 254 . 10 1 1 A 20 20 LYS HA H 50 3.893 3.921 -0.028 1
1 263 . 10 1 1 A 20 20 LYS C C 50 177.980 179.366 -1.386 1
1 264 . 10 1 1 A 20 20 LYS CA C 50 59.104 60.122 -1.018 1
1 265 . 10 1 1 A 20 20 LYS CB C 50 32.348 32.011 0.337 1
1 269 . 10 1 1 A 20 20 LYS N N 50 117.005 118.026 -1.021 1
1 270 . 10 1 1 A 21 21 LYS H H 51 7.435 8.059 -0.624 1
1 271 . 10 1 1 A 21 21 LYS HA H 51 4.080 4.004 0.076 1
1 280 . 10 1 1 A 21 21 LYS C C 51 178.971 177.984 0.987 1
1 281 . 10 1 1 A 21 21 LYS CA C 51 57.418 58.575 -1.157 1
1 282 . 10 1 1 A 21 21 LYS CB C 51 32.675 32.421 0.254 1
1 286 . 10 1 1 A 21 21 LYS N N 51 115.946 119.040 -3.094 1
1 287 . 10 1 1 A 22 22 GLY H H 52 8.290 7.766 0.524 1
1 288 . 10 1 1 A 22 22 GLY HA2 H 52 3.897 4.107 -0.210 1
1 289 . 10 1 1 A 22 22 GLY HA3 H 52 4.181 4.157 0.024 1
1 290 . 10 1 1 A 22 22 GLY C C 52 173.610 174.128 -0.518 1
1 291 . 10 1 1 A 22 22 GLY CA C 52 45.088 45.783 -0.695 1
1 292 . 10 1 1 A 22 22 GLY N N 52 105.432 107.819 -2.387 1
1 293 . 10 1 1 A 23 23 THR H H 53 7.148 7.899 -0.751 1
1 294 . 10 1 1 A 23 23 THR HA H 53 4.838 4.489 0.349 1
1 300 . 10 1 1 A 23 23 THR C C 53 174.444 174.938 -0.494 1
1 301 . 10 1 1 A 23 23 THR CA C 53 59.766 60.394 -0.628 1
1 302 . 10 1 1 A 23 23 THR CB C 53 72.471 71.610 0.861 1
1 304 . 10 1 1 A 23 23 THR N N 53 107.608 111.740 -4.132 1
1 305 . 10 1 1 A 24 24 LYS H H 54 8.414 8.700 -0.286 1
1 306 . 10 1 1 A 24 24 LYS HA H 54 4.355 4.165 0.190 1
1 315 . 10 1 1 A 24 24 LYS C C 54 177.632 176.786 0.846 1
1 316 . 10 1 1 A 24 24 LYS CA C 54 57.393 58.086 -0.693 1
1 317 . 10 1 1 A 24 24 LYS CB C 54 32.806 32.951 -0.145 1
1 321 . 10 1 1 A 24 24 LYS N N 54 118.924 119.775 -0.851 1
1 322 . 10 1 1 A 25 25 ASN H H 55 7.823 7.843 -0.020 1
1 323 . 10 1 1 A 25 25 ASN HA H 55 4.992 4.940 0.052 1
1 328 . 10 1 1 A 25 25 ASN C C 55 174.882 175.201 -0.319 1
1 329 . 10 1 1 A 25 25 ASN CA C 55 51.540 53.068 -1.528 1
1 330 . 10 1 1 A 25 25 ASN CB C 55 38.209 40.367 -2.158 1
1 332 . 10 1 1 A 25 25 ASN N N 55 116.576 115.600 0.976 1
1 334 . 10 1 1 A 26 26 SER H H 56 8.557 9.195 -0.638 1
1 335 . 10 1 1 A 26 26 SER HA H 56 4.145 4.462 -0.317 1
1 338 . 10 1 1 A 26 26 SER C C 56 176.886 175.483 1.403 1
1 339 . 10 1 1 A 26 26 SER CA C 56 61.051 60.701 0.350 1
1 340 . 10 1 1 A 26 26 SER CB C 56 62.398 63.347 -0.949 1
1 341 . 10 1 1 A 26 26 SER N N 56 118.968 121.385 -2.417 1
1 342 . 10 1 1 A 27 27 ALA H H 57 8.133 7.848 0.285 1
1 343 . 10 1 1 A 27 27 ALA HA H 57 4.277 4.263 0.014 1
1 347 . 10 1 1 A 27 27 ALA C C 57 177.779 178.768 -0.989 1
1 348 . 10 1 1 A 27 27 ALA CA C 57 54.020 53.702 0.318 1
1 349 . 10 1 1 A 27 27 ALA CB C 57 18.258 18.744 -0.486 1
1 350 . 10 1 1 A 27 27 ALA N N 57 125.334 124.078 1.256 1
1 351 . 10 1 1 A 28 28 GLN H H 58 7.113 8.303 -1.190 1
1 352 . 10 1 1 A 28 28 GLN HA H 58 4.262 4.206 0.056 1
1 359 . 10 1 1 A 28 28 GLN C C 58 174.984 176.145 -1.161 1
1 360 . 10 1 1 A 28 28 GLN CA C 58 56.272 56.921 -0.649 1
1 361 . 10 1 1 A 28 28 GLN CB C 58 28.627 27.653 0.974 1
1 364 . 10 1 1 A 28 28 GLN N N 58 112.472 114.459 -1.987 1
1 366 . 10 1 1 A 29 29 PHE H H 59 7.361 7.225 0.136 1
1 367 . 10 1 1 A 29 29 PHE HA H 59 4.622 4.627 -0.005 1
1 375 . 10 1 1 A 29 29 PHE C C 59 173.987 175.436 -1.449 1
1 376 . 10 1 1 A 29 29 PHE CA C 59 59.534 58.872 0.662 1
1 377 . 10 1 1 A 29 29 PHE CB C 59 38.939 39.948 -1.009 1
1 381 . 10 1 1 A 29 29 PHE N N 59 118.258 119.712 -1.454 1
1 382 . 10 1 1 A 30 30 GLU H H 60 9.228 9.491 -0.263 1
1 383 . 10 1 1 A 30 30 GLU HA H 60 4.479 4.684 -0.205 1
1 388 . 10 1 1 A 30 30 GLU C C 60 176.282 175.862 0.420 1
1 389 . 10 1 1 A 30 30 GLU CA C 60 57.063 57.768 -0.705 1
1 390 . 10 1 1 A 30 30 GLU CB C 60 33.512 33.078 0.434 1
1 392 . 10 1 1 A 30 30 GLU N N 60 125.247 123.857 1.390 1
1 393 . 10 1 1 A 31 31 LYS H H 61 7.998 7.614 0.384 1
1 394 . 10 1 1 A 31 31 LYS HA H 61 5.074 4.872 0.202 1
1 403 . 10 1 1 A 31 31 LYS C C 61 172.325 174.589 -2.264 1
1 404 . 10 1 1 A 31 31 LYS CA C 61 54.881 54.924 -0.043 1
1 405 . 10 1 1 A 31 31 LYS CB C 61 35.683 35.538 0.145 1
1 409 . 10 1 1 A 31 31 LYS N N 61 113.709 115.975 -2.266 1
1 410 . 10 1 1 A 32 32 MET H H 62 9.051 9.084 -0.033 1
1 411 . 10 1 1 A 32 32 MET HA H 62 5.630 5.383 0.247 1
1 419 . 10 1 1 A 32 32 MET C C 62 172.898 174.127 -1.229 1
1 420 . 10 1 1 A 32 32 MET CA C 62 53.043 53.293 -0.250 1
1 421 . 10 1 1 A 32 32 MET CB C 62 35.214 35.525 -0.311 1
1 424 . 10 1 1 A 32 32 MET N N 62 118.635 116.897 1.738 1
1 425 . 10 1 1 A 33 33 VAL H H 63 9.186 8.866 0.320 1
1 426 . 10 1 1 A 33 33 VAL HA H 63 4.700 4.955 -0.255 1
1 434 . 10 1 1 A 33 33 VAL C C 63 174.133 173.623 0.510 1
1 435 . 10 1 1 A 33 33 VAL CA C 63 61.351 59.991 1.360 1
1 436 . 10 1 1 A 33 33 VAL CB C 63 34.651 35.468 -0.817 1
1 439 . 10 1 1 A 33 33 VAL N N 63 122.441 118.934 3.507 1
1 440 . 10 1 1 A 34 34 ILE H H 64 9.244 9.180 0.064 1
1 441 . 10 1 1 A 34 34 ILE HA H 64 4.302 4.746 -0.444 1
1 451 . 10 1 1 A 34 34 ILE C C 64 174.924 174.603 0.321 1
1 452 . 10 1 1 A 34 34 ILE CA C 64 60.422 59.411 1.011 1
1 453 . 10 1 1 A 34 34 ILE CB C 64 41.255 40.355 0.900 1
1 457 . 10 1 1 A 34 34 ILE N N 64 127.876 128.237 -0.361 1
1 458 . 10 1 1 A 35 35 LEU H H 65 9.117 9.432 -0.315 1
1 459 . 10 1 1 A 35 35 LEU HA H 65 5.531 5.334 0.197 1
1 469 . 10 1 1 A 35 35 LEU C C 65 178.538 176.641 1.897 1
1 470 . 10 1 1 A 35 35 LEU CA C 65 53.047 53.483 -0.436 1
1 471 . 10 1 1 A 35 35 LEU CB C 65 43.797 43.445 0.352 1
1 475 . 10 1 1 A 35 35 LEU N N 65 125.572 128.568 -2.996 1
1 476 . 10 1 1 A 36 36 THR H H 66 8.634 8.690 -0.056 1
1 477 . 10 1 1 A 36 36 THR HA H 66 5.212 5.157 0.055 1
1 482 . 10 1 1 A 36 36 THR C C 66 174.918 174.786 0.132 1
1 483 . 10 1 1 A 36 36 THR CA C 66 59.374 60.242 -0.868 1
1 484 . 10 1 1 A 36 36 THR CB C 66 72.100 71.402 0.698 1
1 486 . 10 1 1 A 36 36 THR N N 66 112.840 116.302 -3.462 1
1 487 . 10 1 1 A 37 37 GLU H H 67 8.580 8.557 0.023 1
1 488 . 10 1 1 A 37 37 GLU HA H 67 4.469 4.165 0.304 1
1 493 . 10 1 1 A 37 37 GLU C C 67 177.333 176.756 0.577 1
1 494 . 10 1 1 A 37 37 GLU CA C 67 57.348 56.118 1.230 1
1 495 . 10 1 1 A 37 37 GLU CB C 67 31.357 30.525 0.832 1
1 497 . 10 1 1 A 37 37 GLU N N 67 118.675 121.725 -3.050 1
1 498 . 10 1 1 A 38 38 ASN H H 68 8.580 8.928 -0.348 1
1 499 . 10 1 1 A 38 38 ASN HA H 68 3.768 3.039 0.729 1
1 504 . 10 1 1 A 38 38 ASN C C 68 172.921 174.155 -1.234 1
1 505 . 10 1 1 A 38 38 ASN CA C 68 54.686 53.876 0.810 1
1 506 . 10 1 1 A 38 38 ASN CB C 68 36.511 36.643 -0.132 1
1 508 . 10 1 1 A 38 38 ASN N N 68 114.341 116.749 -2.408 1
1 510 . 10 1 1 A 39 39 LYS H H 69 7.891 8.381 -0.490 1
1 511 . 10 1 1 A 39 39 LYS HA H 69 3.936 3.796 0.140 1
1 520 . 10 1 1 A 39 39 LYS C C 69 177.032 176.251 0.781 1
1 521 . 10 1 1 A 39 39 LYS CA C 69 56.758 57.363 -0.605 1
1 522 . 10 1 1 A 39 39 LYS CB C 69 28.099 29.764 -1.665 1
1 526 . 10 1 1 A 39 39 LYS N N 69 107.932 109.547 -1.615 1
1 527 . 10 1 1 A 40 40 GLY H H 70 6.998 7.590 -0.592 1
1 528 . 10 1 1 A 40 40 GLY HA2 H 70 4.362 3.846 0.516 1
1 529 . 10 1 1 A 40 40 GLY HA3 H 70 3.875 4.031 -0.156 1
1 530 . 10 1 1 A 40 40 GLY C C 70 173.763 172.307 1.456 1
1 531 . 10 1 1 A 40 40 GLY CA C 70 46.628 45.826 0.802 1
1 532 . 10 1 1 A 40 40 GLY N N 70 107.011 107.571 -0.560 1
1 533 . 10 1 1 A 41 41 TYR H H 71 7.679 8.476 -0.797 1
1 534 . 10 1 1 A 41 41 TYR HA H 71 5.097 5.333 -0.236 1
1 541 . 10 1 1 A 41 41 TYR C C 71 174.452 172.931 1.521 1
1 542 . 10 1 1 A 41 41 TYR CA C 71 57.730 56.760 0.970 1
1 543 . 10 1 1 A 41 41 TYR CB C 71 40.474 42.080 -1.606 1
1 546 . 10 1 1 A 41 41 TYR N N 71 129.822 123.965 5.857 1
1 547 . 10 1 1 A 42 42 TYR H H 72 9.101 8.611 0.490 1
1 548 . 10 1 1 A 42 42 TYR HA H 72 4.875 5.170 -0.295 1
1 555 . 10 1 1 A 42 42 TYR C C 72 174.448 174.605 -0.157 1
1 556 . 10 1 1 A 42 42 TYR CA C 72 56.114 56.559 -0.445 1
1 557 . 10 1 1 A 42 42 TYR CB C 72 41.115 43.001 -1.886 1
1 560 . 10 1 1 A 42 42 TYR N N 72 126.527 126.795 -0.268 1
1 561 . 10 1 1 A 43 43 THR H H 73 9.022 8.842 0.180 1
1 562 . 10 1 1 A 43 43 THR HA H 73 4.876 5.265 -0.389 1
1 567 . 10 1 1 A 43 43 THR C C 73 174.791 172.450 2.341 1
1 568 . 10 1 1 A 43 43 THR CA C 73 62.821 59.823 2.998 1
1 569 . 10 1 1 A 43 43 THR CB C 73 68.769 71.288 -2.519 1
1 571 . 10 1 1 A 43 43 THR N N 73 120.810 116.066 4.744 1
1 572 . 10 1 1 A 44 44 VAL H H 74 9.233 9.120 0.113 1
1 573 . 10 1 1 A 44 44 VAL HA H 74 4.427 4.555 -0.128 1
1 581 . 10 1 1 A 44 44 VAL C C 74 175.094 174.778 0.316 1
1 582 . 10 1 1 A 44 44 VAL CA C 74 61.457 61.172 0.285 1
1 583 . 10 1 1 A 44 44 VAL CB C 74 35.669 35.104 0.565 1
1 586 . 10 1 1 A 44 44 VAL N N 74 129.156 126.373 2.783 1
1 587 . 10 1 1 A 45 45 TYR H H 75 9.384 8.808 0.576 1
1 588 . 10 1 1 A 45 45 TYR HA H 75 4.528 4.561 -0.033 1
1 595 . 10 1 1 A 45 45 TYR C C 75 176.497 176.341 0.156 1
1 596 . 10 1 1 A 45 45 TYR CA C 75 59.843 59.359 0.484 1
1 597 . 10 1 1 A 45 45 TYR CB C 75 38.245 38.631 -0.386 1
1 600 . 10 1 1 A 45 45 TYR N N 75 128.465 127.307 1.158 1
1 601 . 10 1 1 A 46 46 LEU H H 76 8.524 9.119 -0.595 1
1 602 . 10 1 1 A 46 46 LEU HA H 76 4.528 4.215 0.313 1
1 612 . 10 1 1 A 46 46 LEU C C 76 177.001 178.375 -1.374 1
1 613 . 10 1 1 A 46 46 LEU CA C 76 55.010 57.013 -2.003 1
1 614 . 10 1 1 A 46 46 LEU CB C 76 42.094 41.818 0.276 1
1 618 . 10 1 1 A 46 46 LEU N N 76 119.547 125.183 -5.636 1
1 619 . 10 1 1 A 47 47 ASN H H 77 8.599 7.749 0.850 1
1 620 . 10 1 1 A 47 47 ASN HA H 77 4.618 4.635 -0.017 1
1 625 . 10 1 1 A 47 47 ASN C C 77 173.844 175.463 -1.619 1
1 626 . 10 1 1 A 47 47 ASN CA C 77 54.045 55.734 -1.689 1
1 627 . 10 1 1 A 47 47 ASN CB C 77 37.058 38.656 -1.598 1
1 629 . 10 1 1 A 47 47 ASN N N 77 116.407 115.840 0.567 1
1 631 . 10 1 1 A 48 48 THR H H 78 7.429 7.683 -0.254 1
1 632 . 10 1 1 A 48 48 THR HA H 78 4.803 5.018 -0.215 1
1 637 . 10 1 1 A 48 48 THR C C 78 175.201 171.895 3.306 1
1 638 . 10 1 1 A 48 48 THR CA C 78 58.577 58.687 -0.110 1
1 639 . 10 1 1 A 48 48 THR CB C 78 70.494 70.758 -0.264 1
1 641 . 10 1 1 A 48 48 THR N N 78 111.551 109.656 1.895 1
1 642 . 10 1 1 A 49 49 PRO HA H 79 4.462 4.557 -0.095 1
1 649 . 10 1 1 A 49 49 PRO C C 79 176.670 176.719 -0.049 1
1 650 . 10 1 1 A 49 49 PRO CA C 79 62.384 62.796 -0.412 1
1 651 . 10 1 1 A 49 49 PRO CB C 79 32.205 31.844 0.361 1
1 654 . 10 1 1 A 50 50 LEU H H 80 9.049 8.388 0.661 1
1 655 . 10 1 1 A 50 50 LEU HA H 80 4.081 4.239 -0.158 1
1 665 . 10 1 1 A 50 50 LEU C C 80 176.758 176.839 -0.081 1
1 666 . 10 1 1 A 50 50 LEU CA C 80 55.315 55.943 -0.628 1
1 667 . 10 1 1 A 50 50 LEU CB C 80 41.915 43.181 -1.266 1
1 671 . 10 1 1 A 50 50 LEU N N 80 126.341 123.857 2.484 1
1 672 . 10 1 1 A 51 51 ALA H H 81 8.415 8.725 -0.310 1
1 673 . 10 1 1 A 51 51 ALA HA H 81 4.187 4.307 -0.120 1
1 677 . 10 1 1 A 51 51 ALA C C 81 179.005 178.713 0.292 1
1 678 . 10 1 1 A 51 51 ALA CA C 81 52.851 52.454 0.397 1
1 679 . 10 1 1 A 51 51 ALA CB C 81 19.625 19.108 0.517 1
1 680 . 10 1 1 A 51 51 ALA N N 81 129.745 128.396 1.349 1
1 681 . 10 1 1 A 52 52 GLU H H 82 8.739 8.820 -0.081 1
1 682 . 10 1 1 A 52 52 GLU HA H 82 3.815 4.065 -0.250 1
1 687 . 10 1 1 A 52 52 GLU C C 82 178.591 178.302 0.289 1
1 688 . 10 1 1 A 52 52 GLU CA C 82 59.566 58.910 0.656 1
1 689 . 10 1 1 A 52 52 GLU CB C 82 29.774 29.147 0.627 1
1 691 . 10 1 1 A 52 52 GLU N N 82 121.424 121.913 -0.489 1
1 692 . 10 1 1 A 53 53 ASP H H 83 8.511 8.536 -0.025 1
1 693 . 10 1 1 A 53 53 ASP HA H 83 4.427 4.355 0.072 1
1 696 . 10 1 1 A 53 53 ASP C C 83 177.306 178.115 -0.809 1
1 697 . 10 1 1 A 53 53 ASP CA C 83 55.398 56.941 -1.543 1
1 698 . 10 1 1 A 53 53 ASP CB C 83 39.430 39.701 -0.271 1
1 699 . 10 1 1 A 53 53 ASP N N 83 114.043 119.971 -5.928 1
1 700 . 10 1 1 A 54 54 ARG H H 84 7.800 7.745 0.055 1
1 701 . 10 1 1 A 54 54 ARG HA H 84 4.527 4.128 0.399 1
1 710 . 10 1 1 A 54 54 ARG C C 84 176.966 179.612 -2.646 1
1 711 . 10 1 1 A 54 54 ARG CA C 84 55.915 58.990 -3.075 1
1 712 . 10 1 1 A 54 54 ARG CB C 84 31.804 29.662 2.142 1
1 715 . 10 1 1 A 54 54 ARG N N 84 118.147 119.229 -1.082 1
1 718 . 10 1 1 A 55 55 LYS H H 85 7.335 7.846 -0.511 1
1 719 . 10 1 1 A 55 55 LYS HA H 85 3.551 4.116 -0.565 1
1 728 . 10 1 1 A 55 55 LYS C C 85 178.113 177.206 0.907 1
1 729 . 10 1 1 A 55 55 LYS CA C 85 59.887 58.557 1.330 1
1 730 . 10 1 1 A 55 55 LYS CB C 85 32.935 32.245 0.690 1
1 734 . 10 1 1 A 55 55 LYS N N 85 116.576 119.458 -2.882 1
1 735 . 10 1 1 A 56 56 ASN H H 86 8.347 7.610 0.737 1
1 736 . 10 1 1 A 56 56 ASN HA H 86 4.886 5.027 -0.141 1
1 741 . 10 1 1 A 56 56 ASN C C 86 174.736 174.369 0.367 1
1 742 . 10 1 1 A 56 56 ASN CA C 86 52.265 52.887 -0.622 1
1 743 . 10 1 1 A 56 56 ASN CB C 86 38.239 39.614 -1.375 1
1 745 . 10 1 1 A 56 56 ASN N N 86 114.341 115.307 -0.966 1
1 747 . 10 1 1 A 57 57 VAL H H 87 6.985 7.093 -0.108 1
1 748 . 10 1 1 A 57 57 VAL HA H 87 3.746 4.518 -0.772 1
1 756 . 10 1 1 A 57 57 VAL C C 87 175.380 175.301 0.079 1
1 757 . 10 1 1 A 57 57 VAL CA C 87 63.723 60.152 3.571 1
1 758 . 10 1 1 A 57 57 VAL CB C 87 32.650 33.777 -1.127 1
1 761 . 10 1 1 A 57 57 VAL N N 87 121.424 120.470 0.954 1
1 762 . 10 1 1 A 58 58 GLU H H 88 8.777 8.550 0.227 1
1 763 . 10 1 1 A 58 58 GLU HA H 88 4.339 4.514 -0.175 1
1 768 . 10 1 1 A 58 58 GLU C C 88 176.364 176.720 -0.356 1
1 769 . 10 1 1 A 58 58 GLU CA C 88 56.085 56.526 -0.441 1
1 770 . 10 1 1 A 58 58 GLU CB C 88 29.861 30.365 -0.504 1
1 772 . 10 1 1 A 58 58 GLU N N 88 129.489 129.155 0.334 1
1 773 . 10 1 1 A 59 59 LEU H H 89 8.230 8.984 -0.754 1
1 774 . 10 1 1 A 59 59 LEU HA H 89 4.299 4.462 -0.163 1
1 784 . 10 1 1 A 59 59 LEU C C 89 178.976 177.454 1.522 1
1 785 . 10 1 1 A 59 59 LEU CA C 89 54.651 54.321 0.330 1
1 786 . 10 1 1 A 59 59 LEU CB C 89 42.596 42.634 -0.038 1
1 790 . 10 1 1 A 59 59 LEU N N 89 124.395 126.177 -1.782 1
1 791 . 10 1 1 A 60 60 LEU H H 90 7.777 9.423 -1.646 1
1 792 . 10 1 1 A 60 60 LEU HA H 90 4.135 4.403 -0.268 1
1 802 . 10 1 1 A 60 60 LEU C C 90 176.394 176.959 -0.565 1
1 803 . 10 1 1 A 60 60 LEU CA C 90 56.754 56.292 0.462 1
1 804 . 10 1 1 A 60 60 LEU CB C 90 42.413 43.275 -0.862 1
1 808 . 10 1 1 A 60 60 LEU N N 90 119.734 124.293 -4.559 1
1 809 . 10 1 1 A 61 61 GLY H H 91 7.224 7.567 -0.343 1
1 810 . 10 1 1 A 61 61 GLY HA2 H 91 4.165 4.013 0.152 1
1 811 . 10 1 1 A 61 61 GLY HA3 H 91 3.899 4.027 -0.128 1
1 812 . 10 1 1 A 61 61 GLY C C 91 171.742 172.181 -0.439 1
1 813 . 10 1 1 A 61 61 GLY CA C 91 44.969 45.532 -0.563 1
1 814 . 10 1 1 A 61 61 GLY N N 91 103.707 104.648 -0.941 1
1 815 . 10 1 1 A 62 62 LYS H H 92 8.771 8.525 0.246 1
1 816 . 10 1 1 A 62 62 LYS HA H 92 4.150 4.232 -0.082 1
1 825 . 10 1 1 A 62 62 LYS C C 92 177.522 176.795 0.727 1
1 826 . 10 1 1 A 62 62 LYS CA C 92 56.750 56.698 0.052 1
1 827 . 10 1 1 A 62 62 LYS CB C 92 33.835 32.965 0.870 1
1 831 . 10 1 1 A 62 62 LYS N N 92 118.635 120.031 -1.396 1
1 832 . 10 1 1 A 63 63 MET H H 93 9.188 8.412 0.776 1
1 833 . 10 1 1 A 63 63 MET HA H 93 3.835 4.474 -0.639 1
1 841 . 10 1 1 A 63 63 MET C C 93 173.913 175.667 -1.754 1
1 842 . 10 1 1 A 63 63 MET CA C 93 59.275 53.918 5.357 1
1 843 . 10 1 1 A 63 63 MET CB C 93 31.483 30.988 0.495 1
1 846 . 10 1 1 A 63 63 MET N N 93 123.413 123.144 0.269 1
1 847 . 10 1 1 A 64 64 TYR H H 94 9.421 8.628 0.793 1
1 848 . 10 1 1 A 64 64 TYR HA H 94 4.767 4.179 0.588 1
1 855 . 10 1 1 A 64 64 TYR C C 94 173.918 175.221 -1.303 1
1 856 . 10 1 1 A 64 64 TYR CA C 94 56.933 61.344 -4.411 1
1 857 . 10 1 1 A 64 64 TYR CB C 94 40.020 39.121 0.899 1
1 860 . 10 1 1 A 64 64 TYR N N 94 129.403 125.474 3.929 1
1 861 . 10 1 1 A 65 65 LYS H H 95 7.289 7.304 -0.015 1
1 862 . 10 1 1 A 65 65 LYS HA H 95 4.688 4.613 0.075 1
1 871 . 10 1 1 A 65 65 LYS C C 95 175.000 173.522 1.478 1
1 872 . 10 1 1 A 65 65 LYS CA C 95 55.841 54.728 1.113 1
1 873 . 10 1 1 A 65 65 LYS CB C 95 40.404 34.922 5.482 1
1 877 . 10 1 1 A 65 65 LYS N N 95 118.804 114.338 4.466 1
1 878 . 10 1 1 A 66 66 THR H H 96 8.727 8.085 0.642 1
1 879 . 10 1 1 A 66 66 THR HA H 96 5.149 5.279 -0.130 1
1 885 . 10 1 1 A 66 66 THR C C 96 172.120 172.558 -0.438 1
1 886 . 10 1 1 A 66 66 THR CA C 96 62.226 60.360 1.866 1
1 887 . 10 1 1 A 66 66 THR CB C 96 71.787 71.919 -0.132 1
1 889 . 10 1 1 A 66 66 THR N N 96 116.235 113.885 2.350 1
1 890 . 10 1 1 A 67 67 TYR H H 97 8.969 9.085 -0.116 1
1 891 . 10 1 1 A 67 67 TYR HA H 97 5.027 5.190 -0.163 1
1 898 . 10 1 1 A 67 67 TYR C C 97 175.077 174.592 0.485 1
1 899 . 10 1 1 A 67 67 TYR CA C 97 57.278 56.781 0.497 1
1 900 . 10 1 1 A 67 67 TYR CB C 97 42.054 42.766 -0.712 1
1 903 . 10 1 1 A 67 67 TYR N N 97 125.256 124.057 1.199 1
1 904 . 10 1 1 A 68 68 PHE H H 98 9.189 9.029 0.160 1
1 905 . 10 1 1 A 68 68 PHE HA H 98 5.177 5.024 0.153 1
1 913 . 10 1 1 A 68 68 PHE C C 98 174.791 174.683 0.108 1
1 914 . 10 1 1 A 68 68 PHE CA C 98 57.825 56.515 1.310 1
1 915 . 10 1 1 A 68 68 PHE CB C 98 42.377 43.160 -0.783 1
1 919 . 10 1 1 A 68 68 PHE N N 98 118.574 119.619 -1.045 1
1 920 . 10 1 1 A 69 69 PHE H H 99 8.976 9.351 -0.375 1
1 921 . 10 1 1 A 69 69 PHE HA H 99 4.893 5.294 -0.401 1
1 929 . 10 1 1 A 69 69 PHE C C 99 176.386 175.493 0.893 1
1 930 . 10 1 1 A 69 69 PHE CA C 99 56.777 56.190 0.587 1
1 931 . 10 1 1 A 69 69 PHE CB C 99 41.371 42.339 -0.968 1
1 935 . 10 1 1 A 69 69 PHE N N 99 119.573 120.684 -1.111 1
1 936 . 10 1 1 A 70 70 LYS H H 100 9.479 8.992 0.487 1
1 937 . 10 1 1 A 70 70 LYS HA H 100 4.533 4.333 0.200 1
1 946 . 10 1 1 A 70 70 LYS C C 100 176.156 176.830 -0.674 1
1 947 . 10 1 1 A 70 70 LYS CA C 100 56.706 56.029 0.677 1
1 948 . 10 1 1 A 70 70 LYS CB C 100 33.667 33.136 0.531 1
1 952 . 10 1 1 A 70 70 LYS N N 100 125.614 123.313 2.301 1
1 953 . 10 1 1 A 71 71 LYS H H 101 8.068 8.682 -0.614 1
1 954 . 10 1 1 A 71 71 LYS HA H 101 4.188 3.892 0.296 1
1 963 . 10 1 1 A 71 71 LYS C C 101 177.655 177.442 0.213 1
1 964 . 10 1 1 A 71 71 LYS CA C 101 58.238 58.686 -0.448 1
1 965 . 10 1 1 A 71 71 LYS CB C 101 32.342 32.134 0.208 1
1 969 . 10 1 1 A 71 71 LYS N N 101 121.057 121.782 -0.725 1
1 970 . 10 1 1 A 72 72 GLY H H 102 8.899 9.148 -0.249 1
1 971 . 10 1 1 A 72 72 GLY HA2 H 102 4.196 3.981 0.215 1
1 972 . 10 1 1 A 72 72 GLY HA3 H 102 3.815 3.993 -0.178 1
1 973 . 10 1 1 A 72 72 GLY C C 102 173.997 174.827 -0.830 1
1 974 . 10 1 1 A 72 72 GLY CA C 102 45.802 45.002 0.800 1
1 975 . 10 1 1 A 72 72 GLY N N 102 114.112 113.099 1.013 1
1 976 . 10 1 1 A 73 73 GLU H H 103 8.047 8.067 -0.020 1
1 977 . 10 1 1 A 73 73 GLU HA H 103 4.764 4.404 0.360 1
1 982 . 10 1 1 A 73 73 GLU C C 103 175.975 176.872 -0.897 1
1 983 . 10 1 1 A 73 73 GLU CA C 103 56.295 56.755 -0.460 1
1 984 . 10 1 1 A 73 73 GLU CB C 103 31.153 30.992 0.161 1
1 986 . 10 1 1 A 73 73 GLU N N 103 119.538 121.036 -1.498 1
1 987 . 10 1 1 A 74 74 SER H H 104 8.742 8.768 -0.026 1
1 988 . 10 1 1 A 74 74 SER HA H 104 4.598 4.799 -0.201 1
1 991 . 10 1 1 A 74 74 SER C C 104 171.916 173.841 -1.925 1
1 992 . 10 1 1 A 74 74 SER CA C 104 58.363 57.271 1.092 1
1 993 . 10 1 1 A 74 74 SER CB C 104 64.025 64.819 -0.794 1
1 994 . 10 1 1 A 74 74 SER N N 104 115.383 113.632 1.751 1
1 995 . 10 1 1 A 75 75 LYS H H 105 7.608 7.567 0.041 1
1 996 . 10 1 1 A 75 75 LYS HA H 105 5.588 5.089 0.499 1
1 1005 . 10 1 1 A 75 75 LYS C C 105 176.017 174.717 1.300 1
1 1006 . 10 1 1 A 75 75 LYS CA C 105 54.548 55.719 -1.171 1
1 1007 . 10 1 1 A 75 75 LYS CB C 105 35.211 36.009 -0.798 1
1 1011 . 10 1 1 A 75 75 LYS N N 105 121.040 123.195 -2.155 1
1 1012 . 10 1 1 A 76 76 SER H H 106 8.231 9.098 -0.867 1
1 1013 . 10 1 1 A 76 76 SER HA H 106 3.377 4.170 -0.793 1
1 1016 . 10 1 1 A 76 76 SER C C 106 172.571 174.267 -1.696 1
1 1017 . 10 1 1 A 76 76 SER CA C 106 59.650 57.780 1.870 1
1 1018 . 10 1 1 A 76 76 SER CB C 106 64.857 64.466 0.391 1
1 1019 . 10 1 1 A 76 76 SER N N 106 121.783 118.347 3.436 1
1 1020 . 10 1 1 A 77 77 SER H H 107 8.333 8.952 -0.619 1
1 1021 . 10 1 1 A 77 77 SER HA H 107 5.025 4.672 0.353 1
1 1024 . 10 1 1 A 77 77 SER C C 107 174.507 173.525 0.982 1
1 1025 . 10 1 1 A 77 77 SER CA C 107 57.561 58.501 -0.940 1
1 1026 . 10 1 1 A 77 77 SER CB C 107 65.330 65.767 -0.437 1
1 1027 . 10 1 1 A 77 77 SER N N 107 106.276 116.677 -10.401 1
1 1028 . 10 1 1 A 78 78 TYR H H 108 7.825 7.315 0.510 1
1 1029 . 10 1 1 A 78 78 TYR HA H 108 4.754 4.742 0.012 1
1 1036 . 10 1 1 A 78 78 TYR C C 108 171.725 173.818 -2.093 1
1 1037 . 10 1 1 A 78 78 TYR CA C 108 57.778 56.879 0.899 1
1 1038 . 10 1 1 A 78 78 TYR CB C 108 43.223 41.856 1.367 1
1 1041 . 10 1 1 A 78 78 TYR N N 108 126.289 119.686 6.603 1
1 1042 . 10 1 1 A 79 79 VAL H H 109 7.760 8.181 -0.421 1
1 1043 . 10 1 1 A 79 79 VAL HA H 109 5.215 4.886 0.329 1
1 1051 . 10 1 1 A 79 79 VAL C C 109 172.526 172.597 -0.071 1
1 1052 . 10 1 1 A 79 79 VAL CA C 109 59.193 59.896 -0.703 1
1 1053 . 10 1 1 A 79 79 VAL CB C 109 36.173 35.424 0.749 1
1 1056 . 10 1 1 A 79 79 VAL N N 109 127.825 124.995 2.830 1
1 1057 . 10 1 1 A 80 80 ILE H H 110 8.616 8.514 0.102 1
1 1058 . 10 1 1 A 80 80 ILE HA H 110 4.011 4.465 -0.454 1
1 1068 . 10 1 1 A 80 80 ILE C C 110 174.690 174.396 0.294 1
1 1069 . 10 1 1 A 80 80 ILE CA C 110 60.922 59.791 1.131 1
1 1070 . 10 1 1 A 80 80 ILE CB C 110 42.047 41.980 0.067 1
1 1074 . 10 1 1 A 80 80 ILE N N 110 124.001 125.741 -1.740 1
1 1075 . 10 1 1 A 81 81 ASN H H 111 8.937 8.353 0.584 1
1 1076 . 10 1 1 A 81 81 ASN HA H 111 4.760 5.408 -0.648 1
1 1081 . 10 1 1 A 81 81 ASN C C 111 175.326 175.470 -0.144 1
1 1082 . 10 1 1 A 81 81 ASN CA C 111 53.600 51.519 2.081 1
1 1083 . 10 1 1 A 81 81 ASN CB C 111 40.412 40.983 -0.571 1
1 1085 . 10 1 1 A 81 81 ASN N N 111 126.229 124.063 2.166 1
1 1087 . 10 1 1 A 82 82 GLY H H 112 7.984 8.001 -0.017 1
1 1088 . 10 1 1 A 82 82 GLY HA2 H 112 4.457 4.299 0.158 1
1 1089 . 10 1 1 A 82 82 GLY HA3 H 112 3.847 4.323 -0.476 1
1 1090 . 10 1 1 A 82 82 GLY C C 112 171.875 171.284 0.591 1
1 1091 . 10 1 1 A 82 82 GLY CA C 112 43.303 45.450 -2.147 1
1 1092 . 10 1 1 A 82 82 GLY N N 112 110.894 108.370 2.524 1
1 1093 . 10 1 1 A 83 83 PRO HA H 113 4.609 4.296 0.313 1
1 1100 . 10 1 1 A 83 83 PRO C C 113 178.327 176.416 1.911 1
1 1101 . 10 1 1 A 83 83 PRO CA C 113 63.342 63.540 -0.198 1
1 1102 . 10 1 1 A 83 83 PRO CB C 113 32.232 31.755 0.477 1
1 1105 . 10 1 1 A 84 84 GLY H H 114 8.939 8.366 0.573 1
1 1106 . 10 1 1 A 84 84 GLY HA2 H 114 4.055 4.158 -0.103 1
1 1107 . 10 1 1 A 84 84 GLY HA3 H 114 3.192 4.231 -1.039 1
1 1108 . 10 1 1 A 84 84 GLY C C 114 172.587 173.620 -1.033 1
1 1109 . 10 1 1 A 84 84 GLY CA C 114 44.667 44.121 0.546 1
1 1110 . 10 1 1 A 84 84 GLY N N 114 109.324 110.365 -1.041 1
1 1111 . 10 1 1 A 85 85 LYS H H 115 9.550 8.743 0.807 1
1 1112 . 10 1 1 A 85 85 LYS HA H 115 4.527 4.339 0.188 1
1 1121 . 10 1 1 A 85 85 LYS C C 115 175.690 175.094 0.596 1
1 1122 . 10 1 1 A 85 85 LYS CA C 115 56.251 56.156 0.095 1
1 1123 . 10 1 1 A 85 85 LYS CB C 115 34.217 35.045 -0.828 1
1 1127 . 10 1 1 A 85 85 LYS N N 115 119.240 119.895 -0.655 1
1 1128 . 10 1 1 A 86 86 THR H H 116 7.327 7.115 0.212 1
1 1129 . 10 1 1 A 86 86 THR HA H 116 3.572 4.006 -0.434 1
1 1134 . 10 1 1 A 86 86 THR C C 116 170.519 173.338 -2.819 1
1 1135 . 10 1 1 A 86 86 THR CA C 116 59.094 59.989 -0.895 1
1 1136 . 10 1 1 A 86 86 THR CB C 116 68.191 70.032 -1.841 1
1 1138 . 10 1 1 A 86 86 THR N N 116 113.403 111.510 1.893 1
1 1139 . 10 1 1 A 87 87 ASN H H 117 8.035 8.693 -0.658 1
1 1140 . 10 1 1 A 87 87 ASN HA H 117 4.914 4.667 0.247 1
1 1145 . 10 1 1 A 87 87 ASN C C 117 175.798 175.900 -0.102 1
1 1146 . 10 1 1 A 87 87 ASN CA C 117 52.062 55.582 -3.520 1
1 1147 . 10 1 1 A 87 87 ASN CB C 117 40.563 38.493 2.070 1
1 1149 . 10 1 1 A 87 87 ASN N N 117 118.907 122.993 -4.086 1
1 1151 . 10 1 1 A 88 88 GLU H H 118 8.362 7.589 0.773 1
1 1152 . 10 1 1 A 88 88 GLU HA H 118 4.116 4.625 -0.509 1
1 1157 . 10 1 1 A 88 88 GLU C C 118 175.935 175.300 0.635 1
1 1158 . 10 1 1 A 88 88 GLU CA C 118 55.589 55.254 0.335 1
1 1159 . 10 1 1 A 88 88 GLU CB C 118 29.435 27.583 1.852 1
1 1161 . 10 1 1 A 88 88 GLU N N 118 119.547 116.798 2.749 1
1 1162 . 10 1 1 A 89 89 TYR H H 119 7.918 8.730 -0.812 1
1 1163 . 10 1 1 A 89 89 TYR HA H 119 4.639 4.356 0.283 1
1 1170 . 10 1 1 A 89 89 TYR C C 119 175.750 175.087 0.663 1
1 1171 . 10 1 1 A 89 89 TYR CA C 119 59.270 58.825 0.445 1
1 1172 . 10 1 1 A 89 89 TYR CB C 119 38.274 36.231 2.043 1
1 1175 . 10 1 1 A 89 89 TYR N N 119 118.293 120.235 -1.942 1
1 1176 . 10 1 1 A 90 90 ALA H H 120 8.285 8.338 -0.053 1
1 1177 . 10 1 1 A 90 90 ALA HA H 120 4.273 3.946 0.327 1
1 1181 . 10 1 1 A 90 90 ALA C C 120 175.773 175.839 -0.066 1
1 1182 . 10 1 1 A 90 90 ALA CA C 120 52.014 53.180 -1.166 1
1 1183 . 10 1 1 A 90 90 ALA CB C 120 19.920 17.162 2.758 1
1 1184 . 10 1 1 A 90 90 ALA N N 120 126.212 114.649 11.563 1
1 11 . 11 1 1 A 2 2 SER HA H 32 4.469 4.671 -0.202 1
1 14 . 11 1 1 A 2 2 SER C C 32 174.865 172.716 2.149 1
1 15 . 11 1 1 A 2 2 SER CA C 32 58.680 56.745 1.935 1
1 16 . 11 1 1 A 2 2 SER CB C 32 63.805 65.339 -1.534 1
1 17 . 11 1 1 A 3 3 GLY H H 33 8.513 8.362 0.151 1
1 18 . 11 1 1 A 3 3 GLY HA2 H 33 3.972 4.362 -0.390 1
1 19 . 11 1 1 A 3 3 GLY HA3 H 33 3.972 4.363 -0.391 1
1 20 . 11 1 1 A 3 3 GLY C C 33 173.735 171.825 1.910 1
1 21 . 11 1 1 A 3 3 GLY CA C 33 45.132 46.052 -0.920 1
1 22 . 11 1 1 A 3 3 GLY N N 33 110.526 109.237 1.289 1
1 23 . 11 1 1 A 4 4 LEU H H 34 8.145 8.406 -0.261 1
1 24 . 11 1 1 A 4 4 LEU HA H 34 4.599 4.718 -0.119 1
1 34 . 11 1 1 A 4 4 LEU C C 34 175.201 175.001 0.200 1
1 35 . 11 1 1 A 4 4 LEU CA C 34 53.002 51.707 1.295 1
1 36 . 11 1 1 A 4 4 LEU CB C 34 41.772 45.349 -3.577 1
1 40 . 11 1 1 A 4 4 LEU N N 34 122.423 121.764 0.659 1
1 41 . 11 1 1 A 5 5 PRO HA H 35 4.551 4.891 -0.340 1
1 48 . 11 1 1 A 5 5 PRO C C 35 176.487 176.523 -0.036 1
1 49 . 11 1 1 A 5 5 PRO CA C 35 62.771 62.600 0.171 1
1 50 . 11 1 1 A 5 5 PRO CB C 35 32.488 33.624 -1.136 1
1 53 . 11 1 1 A 6 6 THR H H 36 8.447 8.529 -0.082 1
1 54 . 11 1 1 A 6 6 THR HA H 36 4.445 4.514 -0.069 1
1 59 . 11 1 1 A 6 6 THR C C 36 174.231 173.590 0.641 1
1 60 . 11 1 1 A 6 6 THR CA C 36 61.727 61.260 0.467 1
1 61 . 11 1 1 A 6 6 THR CB C 36 69.213 71.295 -2.082 1
1 63 . 11 1 1 A 6 6 THR N N 36 111.916 114.786 -2.870 1
1 64 . 11 1 1 A 7 7 THR H H 37 7.303 7.344 -0.041 1
1 65 . 11 1 1 A 7 7 THR HA H 37 5.232 4.940 0.292 1
1 70 . 11 1 1 A 7 7 THR C C 37 175.848 174.688 1.160 1
1 71 . 11 1 1 A 7 7 THR CA C 37 58.599 60.364 -1.765 1
1 72 . 11 1 1 A 7 7 THR CB C 37 71.971 71.672 0.299 1
1 74 . 11 1 1 A 7 7 THR N N 37 110.288 111.694 -1.406 1
1 75 . 11 1 1 A 8 8 LEU H H 38 9.065 8.775 0.290 1
1 76 . 11 1 1 A 8 8 LEU HA H 38 3.829 3.925 -0.096 1
1 86 . 11 1 1 A 8 8 LEU C C 38 177.964 178.808 -0.844 1
1 87 . 11 1 1 A 8 8 LEU CA C 38 57.613 58.043 -0.430 1
1 88 . 11 1 1 A 8 8 LEU CB C 38 41.058 41.468 -0.410 1
1 92 . 11 1 1 A 8 8 LEU N N 38 122.441 125.599 -3.158 1
1 93 . 11 1 1 A 9 9 GLY H H 39 8.753 8.113 0.640 1
1 94 . 11 1 1 A 9 9 GLY HA2 H 39 3.969 3.821 0.148 1
1 95 . 11 1 1 A 9 9 GLY HA3 H 39 3.769 3.824 -0.055 1
1 96 . 11 1 1 A 9 9 GLY C C 39 176.615 176.324 0.291 1
1 97 . 11 1 1 A 9 9 GLY CA C 39 47.314 47.077 0.237 1
1 98 . 11 1 1 A 9 9 GLY N N 39 104.356 106.874 -2.518 1
1 99 . 11 1 1 A 10 10 LYS H H 40 7.341 7.712 -0.371 1
1 100 . 11 1 1 A 10 10 LYS HA H 40 4.241 4.027 0.214 1
1 109 . 11 1 1 A 10 10 LYS C C 40 179.292 178.759 0.533 1
1 110 . 11 1 1 A 10 10 LYS CA C 40 58.108 59.257 -1.149 1
1 111 . 11 1 1 A 10 10 LYS CB C 40 32.346 31.910 0.436 1
1 115 . 11 1 1 A 10 10 LYS N N 40 120.741 122.393 -1.652 1
1 116 . 11 1 1 A 11 11 LEU H H 41 8.033 7.583 0.450 1
1 117 . 11 1 1 A 11 11 LEU HA H 41 4.059 4.147 -0.088 1
1 127 . 11 1 1 A 11 11 LEU C C 41 177.253 177.912 -0.659 1
1 128 . 11 1 1 A 11 11 LEU CA C 41 57.978 56.996 0.982 1
1 129 . 11 1 1 A 11 11 LEU CB C 41 41.760 42.527 -0.767 1
1 133 . 11 1 1 A 11 11 LEU N N 41 121.501 122.028 -0.527 1
1 134 . 11 1 1 A 12 12 ASP H H 42 9.025 8.578 0.447 1
1 135 . 11 1 1 A 12 12 ASP HA H 42 4.045 4.287 -0.242 1
1 138 . 11 1 1 A 12 12 ASP C C 42 176.536 179.019 -2.483 1
1 139 . 11 1 1 A 12 12 ASP CA C 42 58.740 57.981 0.759 1
1 140 . 11 1 1 A 12 12 ASP CB C 42 44.783 42.487 2.296 1
1 141 . 11 1 1 A 12 12 ASP N N 42 119.776 119.259 0.517 1
1 142 . 11 1 1 A 13 13 GLU H H 43 7.253 8.061 -0.808 1
1 143 . 11 1 1 A 13 13 GLU HA H 43 3.869 4.114 -0.245 1
1 148 . 11 1 1 A 13 13 GLU C C 43 178.916 178.221 0.695 1
1 149 . 11 1 1 A 13 13 GLU CA C 43 59.511 59.164 0.347 1
1 150 . 11 1 1 A 13 13 GLU CB C 43 30.131 29.292 0.839 1
1 152 . 11 1 1 A 13 13 GLU N N 43 116.304 118.868 -2.564 1
1 153 . 11 1 1 A 14 14 ARG H H 44 7.234 7.687 -0.453 1
1 154 . 11 1 1 A 14 14 ARG HA H 44 3.920 4.228 -0.308 1
1 163 . 11 1 1 A 14 14 ARG C C 44 177.609 178.965 -1.356 1
1 164 . 11 1 1 A 14 14 ARG CA C 44 58.607 58.564 0.043 1
1 165 . 11 1 1 A 14 14 ARG CB C 44 30.304 30.031 0.273 1
1 168 . 11 1 1 A 14 14 ARG N N 44 118.267 120.753 -2.486 1
1 171 . 11 1 1 A 15 15 LEU H H 45 8.734 8.646 0.088 1
1 172 . 11 1 1 A 15 15 LEU HA H 45 3.809 4.226 -0.417 1
1 182 . 11 1 1 A 15 15 LEU C C 45 179.204 179.212 -0.008 1
1 183 . 11 1 1 A 15 15 LEU CA C 45 58.248 58.279 -0.031 1
1 184 . 11 1 1 A 15 15 LEU CB C 45 42.076 41.898 0.178 1
1 188 . 11 1 1 A 15 15 LEU N N 45 117.856 119.740 -1.884 1
1 189 . 11 1 1 A 16 16 ARG H H 46 8.280 8.633 -0.353 1
1 190 . 11 1 1 A 16 16 ARG HA H 46 3.863 4.165 -0.302 1
1 200 . 11 1 1 A 16 16 ARG C C 46 179.432 178.056 1.376 1
1 201 . 11 1 1 A 16 16 ARG CA C 46 60.779 59.083 1.696 1
1 202 . 11 1 1 A 16 16 ARG CB C 46 29.824 30.021 -0.197 1
1 205 . 11 1 1 A 16 16 ARG N N 46 115.954 119.364 -3.410 1
1 209 . 11 1 1 A 17 17 ASN H H 47 7.433 8.009 -0.576 1
1 210 . 11 1 1 A 17 17 ASN HA H 47 4.458 4.576 -0.118 1
1 215 . 11 1 1 A 17 17 ASN C C 47 177.657 177.897 -0.240 1
1 216 . 11 1 1 A 17 17 ASN CA C 47 56.297 55.886 0.411 1
1 217 . 11 1 1 A 17 17 ASN CB C 47 38.540 38.659 -0.119 1
1 219 . 11 1 1 A 17 17 ASN N N 47 118.514 117.016 1.498 1
1 221 . 11 1 1 A 18 18 TYR H H 48 8.945 8.284 0.661 1
1 222 . 11 1 1 A 18 18 TYR HA H 48 4.184 4.308 -0.124 1
1 229 . 11 1 1 A 18 18 TYR C C 48 177.806 178.206 -0.400 1
1 230 . 11 1 1 A 18 18 TYR CA C 48 58.651 60.736 -2.085 1
1 231 . 11 1 1 A 18 18 TYR CB C 48 36.527 38.369 -1.842 1
1 234 . 11 1 1 A 18 18 TYR N N 48 121.714 118.841 2.873 1
1 235 . 11 1 1 A 19 19 LEU H H 49 8.293 7.857 0.436 1
1 236 . 11 1 1 A 19 19 LEU HA H 49 3.410 3.426 -0.016 1
1 246 . 11 1 1 A 19 19 LEU C C 49 179.153 179.301 -0.148 1
1 247 . 11 1 1 A 19 19 LEU CA C 49 57.822 57.865 -0.043 1
1 248 . 11 1 1 A 19 19 LEU CB C 49 41.929 41.124 0.805 1
1 252 . 11 1 1 A 19 19 LEU N N 49 119.284 120.099 -0.815 1
1 253 . 11 1 1 A 20 20 LYS H H 50 7.322 8.030 -0.708 1
1 254 . 11 1 1 A 20 20 LYS HA H 50 3.893 3.941 -0.048 1
1 263 . 11 1 1 A 20 20 LYS C C 50 177.980 179.849 -1.869 1
1 264 . 11 1 1 A 20 20 LYS CA C 50 59.104 60.061 -0.957 1
1 265 . 11 1 1 A 20 20 LYS CB C 50 32.348 31.962 0.386 1
1 269 . 11 1 1 A 20 20 LYS N N 50 117.005 117.931 -0.926 1
1 270 . 11 1 1 A 21 21 LYS H H 51 7.435 8.062 -0.627 1
1 271 . 11 1 1 A 21 21 LYS HA H 51 4.080 3.998 0.082 1
1 280 . 11 1 1 A 21 21 LYS C C 51 178.971 178.368 0.603 1
1 281 . 11 1 1 A 21 21 LYS CA C 51 57.418 59.032 -1.614 1
1 282 . 11 1 1 A 21 21 LYS CB C 51 32.675 32.162 0.513 1
1 286 . 11 1 1 A 21 21 LYS N N 51 115.946 119.799 -3.853 1
1 287 . 11 1 1 A 22 22 GLY H H 52 8.290 7.975 0.315 1
1 288 . 11 1 1 A 22 22 GLY HA2 H 52 3.897 4.071 -0.174 1
1 289 . 11 1 1 A 22 22 GLY HA3 H 52 4.181 4.131 0.050 1
1 290 . 11 1 1 A 22 22 GLY C C 52 173.610 174.010 -0.400 1
1 291 . 11 1 1 A 22 22 GLY CA C 52 45.088 45.356 -0.268 1
1 292 . 11 1 1 A 22 22 GLY N N 52 105.432 107.704 -2.272 1
1 293 . 11 1 1 A 23 23 THR H H 53 7.148 7.950 -0.802 1
1 294 . 11 1 1 A 23 23 THR HA H 53 4.838 4.363 0.475 1
1 300 . 11 1 1 A 23 23 THR C C 53 174.444 175.093 -0.649 1
1 301 . 11 1 1 A 23 23 THR CA C 53 59.766 61.406 -1.640 1
1 302 . 11 1 1 A 23 23 THR CB C 53 72.471 71.130 1.341 1
1 304 . 11 1 1 A 23 23 THR N N 53 107.608 112.331 -4.723 1
1 305 . 11 1 1 A 24 24 LYS H H 54 8.414 8.729 -0.315 1
1 306 . 11 1 1 A 24 24 LYS HA H 54 4.355 4.247 0.108 1
1 315 . 11 1 1 A 24 24 LYS C C 54 177.632 176.813 0.819 1
1 316 . 11 1 1 A 24 24 LYS CA C 54 57.393 57.607 -0.214 1
1 317 . 11 1 1 A 24 24 LYS CB C 54 32.806 33.045 -0.239 1
1 321 . 11 1 1 A 24 24 LYS N N 54 118.924 119.306 -0.382 1
1 322 . 11 1 1 A 25 25 ASN H H 55 7.823 7.880 -0.057 1
1 323 . 11 1 1 A 25 25 ASN HA H 55 4.992 4.944 0.048 1
1 328 . 11 1 1 A 25 25 ASN C C 55 174.882 175.127 -0.245 1
1 329 . 11 1 1 A 25 25 ASN CA C 55 51.540 52.994 -1.454 1
1 330 . 11 1 1 A 25 25 ASN CB C 55 38.209 40.479 -2.270 1
1 332 . 11 1 1 A 25 25 ASN N N 55 116.576 116.578 -0.002 1
1 334 . 11 1 1 A 26 26 SER H H 56 8.557 8.924 -0.367 1
1 335 . 11 1 1 A 26 26 SER HA H 56 4.145 4.447 -0.302 1
1 338 . 11 1 1 A 26 26 SER C C 56 176.886 176.037 0.849 1
1 339 . 11 1 1 A 26 26 SER CA C 56 61.051 60.794 0.257 1
1 340 . 11 1 1 A 26 26 SER CB C 56 62.398 63.071 -0.673 1
1 341 . 11 1 1 A 26 26 SER N N 56 118.968 121.235 -2.267 1
1 342 . 11 1 1 A 27 27 ALA H H 57 8.133 7.881 0.252 1
1 343 . 11 1 1 A 27 27 ALA HA H 57 4.277 4.262 0.015 1
1 347 . 11 1 1 A 27 27 ALA C C 57 177.779 178.176 -0.397 1
1 348 . 11 1 1 A 27 27 ALA CA C 57 54.020 53.714 0.306 1
1 349 . 11 1 1 A 27 27 ALA CB C 57 18.258 18.288 -0.030 1
1 350 . 11 1 1 A 27 27 ALA N N 57 125.334 122.536 2.798 1
1 351 . 11 1 1 A 28 28 GLN H H 58 7.113 8.102 -0.989 1
1 352 . 11 1 1 A 28 28 GLN HA H 58 4.262 4.226 0.036 1
1 359 . 11 1 1 A 28 28 GLN C C 58 174.984 175.817 -0.833 1
1 360 . 11 1 1 A 28 28 GLN CA C 58 56.272 56.167 0.105 1
1 361 . 11 1 1 A 28 28 GLN CB C 58 28.627 28.133 0.494 1
1 364 . 11 1 1 A 28 28 GLN N N 58 112.472 114.110 -1.638 1
1 366 . 11 1 1 A 29 29 PHE H H 59 7.361 7.250 0.111 1
1 367 . 11 1 1 A 29 29 PHE HA H 59 4.622 4.760 -0.138 1
1 375 . 11 1 1 A 29 29 PHE C C 59 173.987 175.768 -1.781 1
1 376 . 11 1 1 A 29 29 PHE CA C 59 59.534 58.740 0.794 1
1 377 . 11 1 1 A 29 29 PHE CB C 59 38.939 40.246 -1.307 1
1 381 . 11 1 1 A 29 29 PHE N N 59 118.258 119.623 -1.365 1
1 382 . 11 1 1 A 30 30 GLU H H 60 9.228 9.346 -0.118 1
1 383 . 11 1 1 A 30 30 GLU HA H 60 4.479 4.812 -0.333 1
1 388 . 11 1 1 A 30 30 GLU C C 60 176.282 176.161 0.121 1
1 389 . 11 1 1 A 30 30 GLU CA C 60 57.063 56.790 0.273 1
1 390 . 11 1 1 A 30 30 GLU CB C 60 33.512 31.826 1.686 1
1 392 . 11 1 1 A 30 30 GLU N N 60 125.247 119.528 5.719 1
1 393 . 11 1 1 A 31 31 LYS H H 61 7.998 7.469 0.529 1
1 394 . 11 1 1 A 31 31 LYS HA H 61 5.074 4.594 0.480 1
1 403 . 11 1 1 A 31 31 LYS C C 61 172.325 174.474 -2.149 1
1 404 . 11 1 1 A 31 31 LYS CA C 61 54.881 54.947 -0.066 1
1 405 . 11 1 1 A 31 31 LYS CB C 61 35.683 34.746 0.937 1
1 409 . 11 1 1 A 31 31 LYS N N 61 113.709 116.689 -2.980 1
1 410 . 11 1 1 A 32 32 MET H H 62 9.051 8.723 0.328 1
1 411 . 11 1 1 A 32 32 MET HA H 62 5.630 5.298 0.332 1
1 419 . 11 1 1 A 32 32 MET C C 62 172.898 174.477 -1.579 1
1 420 . 11 1 1 A 32 32 MET CA C 62 53.043 53.461 -0.418 1
1 421 . 11 1 1 A 32 32 MET CB C 62 35.214 35.208 0.006 1
1 424 . 11 1 1 A 32 32 MET N N 62 118.635 116.995 1.640 1
1 425 . 11 1 1 A 33 33 VAL H H 63 9.186 8.519 0.667 1
1 426 . 11 1 1 A 33 33 VAL HA H 63 4.700 4.822 -0.122 1
1 434 . 11 1 1 A 33 33 VAL C C 63 174.133 173.173 0.960 1
1 435 . 11 1 1 A 33 33 VAL CA C 63 61.351 59.784 1.567 1
1 436 . 11 1 1 A 33 33 VAL CB C 63 34.651 35.612 -0.961 1
1 439 . 11 1 1 A 33 33 VAL N N 63 122.441 118.717 3.724 1
1 440 . 11 1 1 A 34 34 ILE H H 64 9.244 8.992 0.252 1
1 441 . 11 1 1 A 34 34 ILE HA H 64 4.302 4.742 -0.440 1
1 451 . 11 1 1 A 34 34 ILE C C 64 174.924 174.924 0.000 1
1 452 . 11 1 1 A 34 34 ILE CA C 64 60.422 59.751 0.671 1
1 453 . 11 1 1 A 34 34 ILE CB C 64 41.255 42.285 -1.030 1
1 457 . 11 1 1 A 34 34 ILE N N 64 127.876 127.013 0.863 1
1 458 . 11 1 1 A 35 35 LEU H H 65 9.117 9.159 -0.042 1
1 459 . 11 1 1 A 35 35 LEU HA H 65 5.531 5.471 0.060 1
1 469 . 11 1 1 A 35 35 LEU C C 65 178.538 176.399 2.139 1
1 470 . 11 1 1 A 35 35 LEU CA C 65 53.047 53.309 -0.262 1
1 471 . 11 1 1 A 35 35 LEU CB C 65 43.797 44.601 -0.804 1
1 475 . 11 1 1 A 35 35 LEU N N 65 125.572 126.269 -0.697 1
1 476 . 11 1 1 A 36 36 THR H H 66 8.634 8.979 -0.345 1
1 477 . 11 1 1 A 36 36 THR HA H 66 5.212 5.435 -0.223 1
1 482 . 11 1 1 A 36 36 THR C C 66 174.918 174.226 0.692 1
1 483 . 11 1 1 A 36 36 THR CA C 66 59.374 59.551 -0.177 1
1 484 . 11 1 1 A 36 36 THR CB C 66 72.100 71.478 0.622 1
1 486 . 11 1 1 A 36 36 THR N N 66 112.840 114.545 -1.705 1
1 487 . 11 1 1 A 37 37 GLU H H 67 8.580 8.840 -0.260 1
1 488 . 11 1 1 A 37 37 GLU HA H 67 4.469 4.102 0.367 1
1 493 . 11 1 1 A 37 37 GLU C C 67 177.333 176.776 0.557 1
1 494 . 11 1 1 A 37 37 GLU CA C 67 57.348 56.073 1.275 1
1 495 . 11 1 1 A 37 37 GLU CB C 67 31.357 30.648 0.709 1
1 497 . 11 1 1 A 37 37 GLU N N 67 118.675 121.728 -3.053 1
1 498 . 11 1 1 A 38 38 ASN H H 68 8.580 9.012 -0.432 1
1 499 . 11 1 1 A 38 38 ASN HA H 68 3.768 4.489 -0.721 1
1 504 . 11 1 1 A 38 38 ASN C C 68 172.921 174.577 -1.656 1
1 505 . 11 1 1 A 38 38 ASN CA C 68 54.686 54.580 0.106 1
1 506 . 11 1 1 A 38 38 ASN CB C 68 36.511 37.034 -0.523 1
1 508 . 11 1 1 A 38 38 ASN N N 68 114.341 117.330 -2.989 1
1 510 . 11 1 1 A 39 39 LYS H H 69 7.891 8.734 -0.843 1
1 511 . 11 1 1 A 39 39 LYS HA H 69 3.936 3.835 0.101 1
1 520 . 11 1 1 A 39 39 LYS C C 69 177.032 176.283 0.749 1
1 521 . 11 1 1 A 39 39 LYS CA C 69 56.758 57.545 -0.787 1
1 522 . 11 1 1 A 39 39 LYS CB C 69 28.099 29.481 -1.382 1
1 526 . 11 1 1 A 39 39 LYS N N 69 107.932 109.755 -1.823 1
1 527 . 11 1 1 A 40 40 GLY H H 70 6.998 8.107 -1.109 1
1 528 . 11 1 1 A 40 40 GLY HA2 H 70 4.362 3.960 0.402 1
1 529 . 11 1 1 A 40 40 GLY HA3 H 70 3.875 4.094 -0.219 1
1 530 . 11 1 1 A 40 40 GLY C C 70 173.763 171.727 2.036 1
1 531 . 11 1 1 A 40 40 GLY CA C 70 46.628 45.273 1.355 1
1 532 . 11 1 1 A 40 40 GLY N N 70 107.011 107.411 -0.400 1
1 533 . 11 1 1 A 41 41 TYR H H 71 7.679 8.490 -0.811 1
1 534 . 11 1 1 A 41 41 TYR HA H 71 5.097 5.451 -0.354 1
1 541 . 11 1 1 A 41 41 TYR C C 71 174.452 172.760 1.692 1
1 542 . 11 1 1 A 41 41 TYR CA C 71 57.730 56.544 1.186 1
1 543 . 11 1 1 A 41 41 TYR CB C 71 40.474 41.956 -1.482 1
1 546 . 11 1 1 A 41 41 TYR N N 71 129.822 122.555 7.267 1
1 547 . 11 1 1 A 42 42 TYR H H 72 9.101 8.471 0.630 1
1 548 . 11 1 1 A 42 42 TYR HA H 72 4.875 5.011 -0.136 1
1 555 . 11 1 1 A 42 42 TYR C C 72 174.448 174.383 0.065 1
1 556 . 11 1 1 A 42 42 TYR CA C 72 56.114 56.580 -0.466 1
1 557 . 11 1 1 A 42 42 TYR CB C 72 41.115 43.025 -1.910 1
1 560 . 11 1 1 A 42 42 TYR N N 72 126.527 125.478 1.049 1
1 561 . 11 1 1 A 43 43 THR H H 73 9.022 8.763 0.259 1
1 562 . 11 1 1 A 43 43 THR HA H 73 4.876 5.096 -0.220 1
1 567 . 11 1 1 A 43 43 THR C C 73 174.791 172.304 2.487 1
1 568 . 11 1 1 A 43 43 THR CA C 73 62.821 59.672 3.149 1
1 569 . 11 1 1 A 43 43 THR CB C 73 68.769 71.010 -2.241 1
1 571 . 11 1 1 A 43 43 THR N N 73 120.810 115.964 4.846 1
1 572 . 11 1 1 A 44 44 VAL H H 74 9.233 8.975 0.258 1
1 573 . 11 1 1 A 44 44 VAL HA H 74 4.427 4.774 -0.347 1
1 581 . 11 1 1 A 44 44 VAL C C 74 175.094 174.099 0.995 1
1 582 . 11 1 1 A 44 44 VAL CA C 74 61.457 60.771 0.686 1
1 583 . 11 1 1 A 44 44 VAL CB C 74 35.669 36.125 -0.456 1
1 586 . 11 1 1 A 44 44 VAL N N 74 129.156 127.037 2.119 1
1 587 . 11 1 1 A 45 45 TYR H H 75 9.384 9.122 0.262 1
1 588 . 11 1 1 A 45 45 TYR HA H 75 4.528 4.876 -0.348 1
1 595 . 11 1 1 A 45 45 TYR C C 75 176.497 175.658 0.839 1
1 596 . 11 1 1 A 45 45 TYR CA C 75 59.843 57.413 2.430 1
1 597 . 11 1 1 A 45 45 TYR CB C 75 38.245 40.112 -1.867 1
1 600 . 11 1 1 A 45 45 TYR N N 75 128.465 126.214 2.251 1
1 601 . 11 1 1 A 46 46 LEU H H 76 8.524 9.026 -0.502 1
1 602 . 11 1 1 A 46 46 LEU HA H 76 4.528 4.620 -0.092 1
1 612 . 11 1 1 A 46 46 LEU C C 76 177.001 178.437 -1.436 1
1 613 . 11 1 1 A 46 46 LEU CA C 76 55.010 54.659 0.351 1
1 614 . 11 1 1 A 46 46 LEU CB C 76 42.094 42.787 -0.693 1
1 618 . 11 1 1 A 46 46 LEU N N 76 119.547 124.498 -4.951 1
1 619 . 11 1 1 A 47 47 ASN H H 77 8.599 8.297 0.302 1
1 620 . 11 1 1 A 47 47 ASN HA H 77 4.618 4.683 -0.065 1
1 625 . 11 1 1 A 47 47 ASN C C 77 173.844 175.405 -1.561 1
1 626 . 11 1 1 A 47 47 ASN CA C 77 54.045 55.587 -1.542 1
1 627 . 11 1 1 A 47 47 ASN CB C 77 37.058 38.651 -1.593 1
1 629 . 11 1 1 A 47 47 ASN N N 77 116.407 116.052 0.355 1
1 631 . 11 1 1 A 48 48 THR H H 78 7.429 7.627 -0.198 1
1 632 . 11 1 1 A 48 48 THR HA H 78 4.803 4.983 -0.180 1
1 637 . 11 1 1 A 48 48 THR C C 78 175.201 171.709 3.492 1
1 638 . 11 1 1 A 48 48 THR CA C 78 58.577 58.769 -0.192 1
1 639 . 11 1 1 A 48 48 THR CB C 78 70.494 70.515 -0.021 1
1 641 . 11 1 1 A 48 48 THR N N 78 111.551 109.691 1.860 1
1 642 . 11 1 1 A 49 49 PRO HA H 79 4.462 4.516 -0.054 1
1 649 . 11 1 1 A 49 49 PRO C C 79 176.670 177.172 -0.502 1
1 650 . 11 1 1 A 49 49 PRO CA C 79 62.384 62.931 -0.547 1
1 651 . 11 1 1 A 49 49 PRO CB C 79 32.205 32.182 0.023 1
1 654 . 11 1 1 A 50 50 LEU H H 80 9.049 8.351 0.698 1
1 655 . 11 1 1 A 50 50 LEU HA H 80 4.081 4.449 -0.368 1
1 665 . 11 1 1 A 50 50 LEU C C 80 176.758 176.691 0.067 1
1 666 . 11 1 1 A 50 50 LEU CA C 80 55.315 53.512 1.803 1
1 667 . 11 1 1 A 50 50 LEU CB C 80 41.915 43.117 -1.202 1
1 671 . 11 1 1 A 50 50 LEU N N 80 126.341 119.380 6.961 1
1 672 . 11 1 1 A 51 51 ALA H H 81 8.415 9.161 -0.746 1
1 673 . 11 1 1 A 51 51 ALA HA H 81 4.187 4.431 -0.244 1
1 677 . 11 1 1 A 51 51 ALA C C 81 179.005 178.812 0.193 1
1 678 . 11 1 1 A 51 51 ALA CA C 81 52.851 52.113 0.738 1
1 679 . 11 1 1 A 51 51 ALA CB C 81 19.625 19.612 0.013 1
1 680 . 11 1 1 A 51 51 ALA N N 81 129.745 123.403 6.342 1
1 681 . 11 1 1 A 52 52 GLU H H 82 8.739 8.963 -0.224 1
1 682 . 11 1 1 A 52 52 GLU HA H 82 3.815 4.073 -0.258 1
1 687 . 11 1 1 A 52 52 GLU C C 82 178.591 178.419 0.172 1
1 688 . 11 1 1 A 52 52 GLU CA C 82 59.566 59.063 0.503 1
1 689 . 11 1 1 A 52 52 GLU CB C 82 29.774 29.090 0.684 1
1 691 . 11 1 1 A 52 52 GLU N N 82 121.424 120.029 1.395 1
1 692 . 11 1 1 A 53 53 ASP H H 83 8.511 8.175 0.336 1
1 693 . 11 1 1 A 53 53 ASP HA H 83 4.427 4.421 0.006 1
1 696 . 11 1 1 A 53 53 ASP C C 83 177.306 179.167 -1.861 1
1 697 . 11 1 1 A 53 53 ASP CA C 83 55.398 56.675 -1.277 1
1 698 . 11 1 1 A 53 53 ASP CB C 83 39.430 40.260 -0.830 1
1 699 . 11 1 1 A 53 53 ASP N N 83 114.043 120.630 -6.587 1
1 700 . 11 1 1 A 54 54 ARG H H 84 7.800 7.684 0.116 1
1 701 . 11 1 1 A 54 54 ARG HA H 84 4.527 4.154 0.373 1
1 710 . 11 1 1 A 54 54 ARG C C 84 176.966 179.283 -2.317 1
1 711 . 11 1 1 A 54 54 ARG CA C 84 55.915 58.953 -3.038 1
1 712 . 11 1 1 A 54 54 ARG CB C 84 31.804 29.639 2.165 1
1 715 . 11 1 1 A 54 54 ARG N N 84 118.147 120.405 -2.258 1
1 718 . 11 1 1 A 55 55 LYS H H 85 7.335 7.750 -0.415 1
1 719 . 11 1 1 A 55 55 LYS HA H 85 3.551 4.157 -0.606 1
1 728 . 11 1 1 A 55 55 LYS C C 85 178.113 177.613 0.500 1
1 729 . 11 1 1 A 55 55 LYS CA C 85 59.887 58.465 1.422 1
1 730 . 11 1 1 A 55 55 LYS CB C 85 32.935 32.177 0.758 1
1 734 . 11 1 1 A 55 55 LYS N N 85 116.576 118.752 -2.176 1
1 735 . 11 1 1 A 56 56 ASN H H 86 8.347 7.698 0.649 1
1 736 . 11 1 1 A 56 56 ASN HA H 86 4.886 4.913 -0.027 1
1 741 . 11 1 1 A 56 56 ASN C C 86 174.736 174.864 -0.128 1
1 742 . 11 1 1 A 56 56 ASN CA C 86 52.265 52.795 -0.530 1
1 743 . 11 1 1 A 56 56 ASN CB C 86 38.239 40.072 -1.833 1
1 745 . 11 1 1 A 56 56 ASN N N 86 114.341 115.679 -1.338 1
1 747 . 11 1 1 A 57 57 VAL H H 87 6.985 7.463 -0.478 1
1 748 . 11 1 1 A 57 57 VAL HA H 87 3.746 4.075 -0.329 1
1 756 . 11 1 1 A 57 57 VAL C C 87 175.380 176.130 -0.750 1
1 757 . 11 1 1 A 57 57 VAL CA C 87 63.723 62.301 1.422 1
1 758 . 11 1 1 A 57 57 VAL CB C 87 32.650 33.334 -0.684 1
1 761 . 11 1 1 A 57 57 VAL N N 87 121.424 121.639 -0.215 1
1 762 . 11 1 1 A 58 58 GLU H H 88 8.777 8.441 0.336 1
1 763 . 11 1 1 A 58 58 GLU HA H 88 4.339 4.536 -0.197 1
1 768 . 11 1 1 A 58 58 GLU C C 88 176.364 176.266 0.098 1
1 769 . 11 1 1 A 58 58 GLU CA C 88 56.085 57.308 -1.223 1
1 770 . 11 1 1 A 58 58 GLU CB C 88 29.861 30.459 -0.598 1
1 772 . 11 1 1 A 58 58 GLU N N 88 129.489 126.962 2.527 1
1 773 . 11 1 1 A 59 59 LEU H H 89 8.230 8.772 -0.542 1
1 774 . 11 1 1 A 59 59 LEU HA H 89 4.299 4.660 -0.361 1
1 784 . 11 1 1 A 59 59 LEU C C 89 178.976 176.784 2.192 1
1 785 . 11 1 1 A 59 59 LEU CA C 89 54.651 53.324 1.327 1
1 786 . 11 1 1 A 59 59 LEU CB C 89 42.596 43.571 -0.975 1
1 790 . 11 1 1 A 59 59 LEU N N 89 124.395 123.482 0.913 1
1 791 . 11 1 1 A 60 60 LEU H H 90 7.777 9.238 -1.461 1
1 792 . 11 1 1 A 60 60 LEU HA H 90 4.135 4.186 -0.051 1
1 802 . 11 1 1 A 60 60 LEU C C 90 176.394 176.907 -0.513 1
1 803 . 11 1 1 A 60 60 LEU CA C 90 56.754 57.053 -0.299 1
1 804 . 11 1 1 A 60 60 LEU CB C 90 42.413 42.619 -0.206 1
1 808 . 11 1 1 A 60 60 LEU N N 90 119.734 126.042 -6.308 1
1 809 . 11 1 1 A 61 61 GLY H H 91 7.224 7.469 -0.245 1
1 810 . 11 1 1 A 61 61 GLY HA2 H 91 4.165 4.065 0.100 1
1 811 . 11 1 1 A 61 61 GLY HA3 H 91 3.899 4.084 -0.185 1
1 812 . 11 1 1 A 61 61 GLY C C 91 171.742 172.589 -0.847 1
1 813 . 11 1 1 A 61 61 GLY CA C 91 44.969 45.692 -0.723 1
1 814 . 11 1 1 A 61 61 GLY N N 91 103.707 104.383 -0.676 1
1 815 . 11 1 1 A 62 62 LYS H H 92 8.771 8.293 0.478 1
1 816 . 11 1 1 A 62 62 LYS HA H 92 4.150 4.375 -0.225 1
1 825 . 11 1 1 A 62 62 LYS C C 92 177.522 175.894 1.628 1
1 826 . 11 1 1 A 62 62 LYS CA C 92 56.750 56.276 0.474 1
1 827 . 11 1 1 A 62 62 LYS CB C 92 33.835 33.295 0.540 1
1 831 . 11 1 1 A 62 62 LYS N N 92 118.635 121.076 -2.441 1
1 832 . 11 1 1 A 63 63 MET H H 93 9.188 8.497 0.691 1
1 833 . 11 1 1 A 63 63 MET HA H 93 3.835 4.561 -0.726 1
1 841 . 11 1 1 A 63 63 MET C C 93 173.913 175.623 -1.710 1
1 842 . 11 1 1 A 63 63 MET CA C 93 59.275 53.986 5.289 1
1 843 . 11 1 1 A 63 63 MET CB C 93 31.483 31.075 0.408 1
1 846 . 11 1 1 A 63 63 MET N N 93 123.413 124.645 -1.232 1
1 847 . 11 1 1 A 64 64 TYR H H 94 9.421 8.530 0.891 1
1 848 . 11 1 1 A 64 64 TYR HA H 94 4.767 4.022 0.745 1
1 855 . 11 1 1 A 64 64 TYR C C 94 173.918 174.922 -1.004 1
1 856 . 11 1 1 A 64 64 TYR CA C 94 56.933 61.856 -4.923 1
1 857 . 11 1 1 A 64 64 TYR CB C 94 40.020 38.974 1.046 1
1 860 . 11 1 1 A 64 64 TYR N N 94 129.403 125.872 3.531 1
1 861 . 11 1 1 A 65 65 LYS H H 95 7.289 7.566 -0.277 1
1 862 . 11 1 1 A 65 65 LYS HA H 95 4.688 4.590 0.098 1
1 871 . 11 1 1 A 65 65 LYS C C 95 175.000 174.020 0.980 1
1 872 . 11 1 1 A 65 65 LYS CA C 95 55.841 55.218 0.623 1
1 873 . 11 1 1 A 65 65 LYS CB C 95 40.404 35.652 4.752 1
1 877 . 11 1 1 A 65 65 LYS N N 95 118.804 118.299 0.505 1
1 878 . 11 1 1 A 66 66 THR H H 96 8.727 7.754 0.973 1
1 879 . 11 1 1 A 66 66 THR HA H 96 5.149 5.145 0.004 1
1 885 . 11 1 1 A 66 66 THR C C 96 172.120 172.458 -0.338 1
1 886 . 11 1 1 A 66 66 THR CA C 96 62.226 60.480 1.746 1
1 887 . 11 1 1 A 66 66 THR CB C 96 71.787 72.072 -0.285 1
1 889 . 11 1 1 A 66 66 THR N N 96 116.235 118.422 -2.187 1
1 890 . 11 1 1 A 67 67 TYR H H 97 8.969 8.916 0.053 1
1 891 . 11 1 1 A 67 67 TYR HA H 97 5.027 5.157 -0.130 1
1 898 . 11 1 1 A 67 67 TYR C C 97 175.077 174.339 0.738 1
1 899 . 11 1 1 A 67 67 TYR CA C 97 57.278 56.599 0.679 1
1 900 . 11 1 1 A 67 67 TYR CB C 97 42.054 42.522 -0.468 1
1 903 . 11 1 1 A 67 67 TYR N N 97 125.256 123.613 1.643 1
1 904 . 11 1 1 A 68 68 PHE H H 98 9.189 8.898 0.291 1
1 905 . 11 1 1 A 68 68 PHE HA H 98 5.177 5.033 0.144 1
1 913 . 11 1 1 A 68 68 PHE C C 98 174.791 174.445 0.346 1
1 914 . 11 1 1 A 68 68 PHE CA C 98 57.825 56.558 1.267 1
1 915 . 11 1 1 A 68 68 PHE CB C 98 42.377 43.043 -0.666 1
1 919 . 11 1 1 A 68 68 PHE N N 98 118.574 119.646 -1.072 1
1 920 . 11 1 1 A 69 69 PHE H H 99 8.976 9.120 -0.144 1
1 921 . 11 1 1 A 69 69 PHE HA H 99 4.893 5.309 -0.416 1
1 929 . 11 1 1 A 69 69 PHE C C 99 176.386 175.390 0.996 1
1 930 . 11 1 1 A 69 69 PHE CA C 99 56.777 56.295 0.482 1
1 931 . 11 1 1 A 69 69 PHE CB C 99 41.371 42.912 -1.541 1
1 935 . 11 1 1 A 69 69 PHE N N 99 119.573 120.043 -0.470 1
1 936 . 11 1 1 A 70 70 LYS H H 100 9.479 8.942 0.537 1
1 937 . 11 1 1 A 70 70 LYS HA H 100 4.533 4.376 0.157 1
1 946 . 11 1 1 A 70 70 LYS C C 100 176.156 176.521 -0.365 1
1 947 . 11 1 1 A 70 70 LYS CA C 100 56.706 55.820 0.886 1
1 948 . 11 1 1 A 70 70 LYS CB C 100 33.667 33.171 0.496 1
1 952 . 11 1 1 A 70 70 LYS N N 100 125.614 123.040 2.574 1
1 953 . 11 1 1 A 71 71 LYS H H 101 8.068 8.631 -0.563 1
1 954 . 11 1 1 A 71 71 LYS HA H 101 4.188 4.492 -0.304 1
1 963 . 11 1 1 A 71 71 LYS C C 101 177.655 177.149 0.506 1
1 964 . 11 1 1 A 71 71 LYS CA C 101 58.238 56.231 2.007 1
1 965 . 11 1 1 A 71 71 LYS CB C 101 32.342 31.428 0.914 1
1 969 . 11 1 1 A 71 71 LYS N N 101 121.057 120.998 0.059 1
1 970 . 11 1 1 A 72 72 GLY H H 102 8.899 8.432 0.467 1
1 971 . 11 1 1 A 72 72 GLY HA2 H 102 4.196 4.104 0.092 1
1 972 . 11 1 1 A 72 72 GLY HA3 H 102 3.815 4.115 -0.300 1
1 973 . 11 1 1 A 72 72 GLY C C 102 173.997 173.622 0.375 1
1 974 . 11 1 1 A 72 72 GLY CA C 102 45.802 45.169 0.633 1
1 975 . 11 1 1 A 72 72 GLY N N 102 114.112 109.258 4.854 1
1 976 . 11 1 1 A 73 73 GLU H H 103 8.047 7.597 0.450 1
1 977 . 11 1 1 A 73 73 GLU HA H 103 4.764 5.070 -0.306 1
1 982 . 11 1 1 A 73 73 GLU C C 103 175.975 174.888 1.087 1
1 983 . 11 1 1 A 73 73 GLU CA C 103 56.295 55.124 1.171 1
1 984 . 11 1 1 A 73 73 GLU CB C 103 31.153 33.407 -2.254 1
1 986 . 11 1 1 A 73 73 GLU N N 103 119.538 120.180 -0.642 1
1 987 . 11 1 1 A 74 74 SER H H 104 8.742 8.986 -0.244 1
1 988 . 11 1 1 A 74 74 SER HA H 104 4.598 4.656 -0.058 1
1 991 . 11 1 1 A 74 74 SER C C 104 171.916 173.253 -1.337 1
1 992 . 11 1 1 A 74 74 SER CA C 104 58.363 57.657 0.706 1
1 993 . 11 1 1 A 74 74 SER CB C 104 64.025 64.347 -0.322 1
1 994 . 11 1 1 A 74 74 SER N N 104 115.383 121.696 -6.313 1
1 995 . 11 1 1 A 75 75 LYS H H 105 7.608 7.609 -0.001 1
1 996 . 11 1 1 A 75 75 LYS HA H 105 5.588 5.175 0.413 1
1 1005 . 11 1 1 A 75 75 LYS C C 105 176.017 174.944 1.073 1
1 1006 . 11 1 1 A 75 75 LYS CA C 105 54.548 55.496 -0.948 1
1 1007 . 11 1 1 A 75 75 LYS CB C 105 35.211 35.678 -0.467 1
1 1011 . 11 1 1 A 75 75 LYS N N 105 121.040 122.419 -1.379 1
1 1012 . 11 1 1 A 76 76 SER H H 106 8.231 9.073 -0.842 1
1 1013 . 11 1 1 A 76 76 SER HA H 106 3.377 4.158 -0.781 1
1 1016 . 11 1 1 A 76 76 SER C C 106 172.571 174.457 -1.886 1
1 1017 . 11 1 1 A 76 76 SER CA C 106 59.650 58.112 1.538 1
1 1018 . 11 1 1 A 76 76 SER CB C 106 64.857 63.985 0.872 1
1 1019 . 11 1 1 A 76 76 SER N N 106 121.783 119.472 2.311 1
1 1020 . 11 1 1 A 77 77 SER H H 107 8.333 9.103 -0.770 1
1 1021 . 11 1 1 A 77 77 SER HA H 107 5.025 4.684 0.341 1
1 1024 . 11 1 1 A 77 77 SER C C 107 174.507 173.519 0.988 1
1 1025 . 11 1 1 A 77 77 SER CA C 107 57.561 58.485 -0.924 1
1 1026 . 11 1 1 A 77 77 SER CB C 107 65.330 65.713 -0.383 1
1 1027 . 11 1 1 A 77 77 SER N N 107 106.276 116.761 -10.485 1
1 1028 . 11 1 1 A 78 78 TYR H H 108 7.825 7.293 0.532 1
1 1029 . 11 1 1 A 78 78 TYR HA H 108 4.754 4.749 0.005 1
1 1036 . 11 1 1 A 78 78 TYR C C 108 171.725 173.637 -1.912 1
1 1037 . 11 1 1 A 78 78 TYR CA C 108 57.778 56.777 1.001 1
1 1038 . 11 1 1 A 78 78 TYR CB C 108 43.223 41.602 1.621 1
1 1041 . 11 1 1 A 78 78 TYR N N 108 126.289 119.691 6.598 1
1 1042 . 11 1 1 A 79 79 VAL H H 109 7.760 8.311 -0.551 1
1 1043 . 11 1 1 A 79 79 VAL HA H 109 5.215 5.175 0.040 1
1 1051 . 11 1 1 A 79 79 VAL C C 109 172.526 174.371 -1.845 1
1 1052 . 11 1 1 A 79 79 VAL CA C 109 59.193 59.461 -0.268 1
1 1053 . 11 1 1 A 79 79 VAL CB C 109 36.173 35.861 0.312 1
1 1056 . 11 1 1 A 79 79 VAL N N 109 127.825 121.483 6.342 1
1 1057 . 11 1 1 A 80 80 ILE H H 110 8.616 8.236 0.380 1
1 1058 . 11 1 1 A 80 80 ILE HA H 110 4.011 4.462 -0.451 1
1 1068 . 11 1 1 A 80 80 ILE C C 110 174.690 174.321 0.369 1
1 1069 . 11 1 1 A 80 80 ILE CA C 110 60.922 59.964 0.958 1
1 1070 . 11 1 1 A 80 80 ILE CB C 110 42.047 42.080 -0.033 1
1 1074 . 11 1 1 A 80 80 ILE N N 110 124.001 121.670 2.331 1
1 1075 . 11 1 1 A 81 81 ASN H H 111 8.937 8.757 0.180 1
1 1076 . 11 1 1 A 81 81 ASN HA H 111 4.760 5.050 -0.290 1
1 1081 . 11 1 1 A 81 81 ASN C C 111 175.326 174.982 0.344 1
1 1082 . 11 1 1 A 81 81 ASN CA C 111 53.600 52.249 1.351 1
1 1083 . 11 1 1 A 81 81 ASN CB C 111 40.412 38.990 1.422 1
1 1085 . 11 1 1 A 81 81 ASN N N 111 126.229 125.427 0.802 1
1 1087 . 11 1 1 A 82 82 GLY H H 112 7.984 8.610 -0.626 1
1 1088 . 11 1 1 A 82 82 GLY HA2 H 112 4.457 4.108 0.349 1
1 1089 . 11 1 1 A 82 82 GLY HA3 H 112 3.847 4.150 -0.303 1
1 1090 . 11 1 1 A 82 82 GLY C C 112 171.875 173.196 -1.321 1
1 1091 . 11 1 1 A 82 82 GLY CA C 112 43.303 43.866 -0.563 1
1 1092 . 11 1 1 A 82 82 GLY N N 112 110.894 112.826 -1.932 1
1 1093 . 11 1 1 A 83 83 PRO HA H 113 4.609 4.545 0.064 1
1 1100 . 11 1 1 A 83 83 PRO C C 113 178.327 176.414 1.913 1
1 1101 . 11 1 1 A 83 83 PRO CA C 113 63.342 63.407 -0.065 1
1 1102 . 11 1 1 A 83 83 PRO CB C 113 32.232 31.545 0.687 1
1 1105 . 11 1 1 A 84 84 GLY H H 114 8.939 8.235 0.704 1
1 1106 . 11 1 1 A 84 84 GLY HA2 H 114 4.055 4.252 -0.197 1
1 1107 . 11 1 1 A 84 84 GLY HA3 H 114 3.192 4.312 -1.120 1
1 1108 . 11 1 1 A 84 84 GLY C C 114 172.587 174.142 -1.555 1
1 1109 . 11 1 1 A 84 84 GLY CA C 114 44.667 45.456 -0.789 1
1 1110 . 11 1 1 A 84 84 GLY N N 114 109.324 111.631 -2.307 1
1 1111 . 11 1 1 A 85 85 LYS H H 115 9.550 8.915 0.635 1
1 1112 . 11 1 1 A 85 85 LYS HA H 115 4.527 4.543 -0.016 1
1 1121 . 11 1 1 A 85 85 LYS C C 115 175.690 175.833 -0.143 1
1 1122 . 11 1 1 A 85 85 LYS CA C 115 56.251 57.156 -0.905 1
1 1123 . 11 1 1 A 85 85 LYS CB C 115 34.217 34.625 -0.408 1
1 1127 . 11 1 1 A 85 85 LYS N N 115 119.240 121.491 -2.251 1
1 1128 . 11 1 1 A 86 86 THR H H 116 7.327 7.574 -0.247 1
1 1129 . 11 1 1 A 86 86 THR HA H 116 3.572 4.238 -0.666 1
1 1134 . 11 1 1 A 86 86 THR C C 116 170.519 172.983 -2.464 1
1 1135 . 11 1 1 A 86 86 THR CA C 116 59.094 60.448 -1.354 1
1 1136 . 11 1 1 A 86 86 THR CB C 116 68.191 69.525 -1.334 1
1 1138 . 11 1 1 A 86 86 THR N N 116 113.403 111.849 1.554 1
1 1139 . 11 1 1 A 87 87 ASN H H 117 8.035 8.892 -0.857 1
1 1140 . 11 1 1 A 87 87 ASN HA H 117 4.914 4.442 0.472 1
1 1145 . 11 1 1 A 87 87 ASN C C 117 175.798 177.426 -1.628 1
1 1146 . 11 1 1 A 87 87 ASN CA C 117 52.062 55.099 -3.037 1
1 1147 . 11 1 1 A 87 87 ASN CB C 117 40.563 38.297 2.266 1
1 1149 . 11 1 1 A 87 87 ASN N N 117 118.907 122.697 -3.790 1
1 1151 . 11 1 1 A 88 88 GLU H H 118 8.362 8.025 0.337 1
1 1152 . 11 1 1 A 88 88 GLU HA H 118 4.116 4.112 0.004 1
1 1157 . 11 1 1 A 88 88 GLU C C 118 175.935 177.202 -1.267 1
1 1158 . 11 1 1 A 88 88 GLU CA C 118 55.589 59.458 -3.869 1
1 1159 . 11 1 1 A 88 88 GLU CB C 118 29.435 29.463 -0.028 1
1 1161 . 11 1 1 A 88 88 GLU N N 118 119.547 119.864 -0.317 1
1 1162 . 11 1 1 A 89 89 TYR H H 119 7.918 7.961 -0.043 1
1 1163 . 11 1 1 A 89 89 TYR HA H 119 4.639 5.038 -0.399 1
1 1170 . 11 1 1 A 89 89 TYR C C 119 175.750 175.575 0.175 1
1 1171 . 11 1 1 A 89 89 TYR CA C 119 59.270 56.998 2.272 1
1 1172 . 11 1 1 A 89 89 TYR CB C 119 38.274 39.659 -1.385 1
1 1175 . 11 1 1 A 89 89 TYR N N 119 118.293 117.130 1.163 1
1 1176 . 11 1 1 A 90 90 ALA H H 120 8.285 8.127 0.158 1
1 1177 . 11 1 1 A 90 90 ALA HA H 120 4.273 3.998 0.275 1
1 1181 . 11 1 1 A 90 90 ALA C C 120 175.773 175.643 0.130 1
1 1182 . 11 1 1 A 90 90 ALA CA C 120 52.014 53.166 -1.152 1
1 1183 . 11 1 1 A 90 90 ALA CB C 120 19.920 17.038 2.882 1
1 1184 . 11 1 1 A 90 90 ALA N N 120 126.212 121.130 5.082 1
1 11 . 12 1 1 A 2 2 SER HA H 32 4.469 4.654 -0.185 1
1 14 . 12 1 1 A 2 2 SER C C 32 174.865 174.992 -0.127 1
1 15 . 12 1 1 A 2 2 SER CA C 32 58.680 59.232 -0.552 1
1 16 . 12 1 1 A 2 2 SER CB C 32 63.805 65.674 -1.869 1
1 17 . 12 1 1 A 3 3 GLY H H 33 8.513 8.178 0.335 1
1 18 . 12 1 1 A 3 3 GLY HA2 H 33 3.972 3.904 0.068 1
1 19 . 12 1 1 A 3 3 GLY HA3 H 33 3.972 3.904 0.068 1
1 20 . 12 1 1 A 3 3 GLY C C 33 173.735 174.931 -1.196 1
1 21 . 12 1 1 A 3 3 GLY CA C 33 45.132 45.994 -0.862 1
1 22 . 12 1 1 A 3 3 GLY N N 33 110.526 109.316 1.210 1
1 23 . 12 1 1 A 4 4 LEU H H 34 8.145 7.810 0.335 1
1 24 . 12 1 1 A 4 4 LEU HA H 34 4.599 4.266 0.333 1
1 34 . 12 1 1 A 4 4 LEU C C 34 175.201 174.904 0.297 1
1 35 . 12 1 1 A 4 4 LEU CA C 34 53.002 53.333 -0.331 1
1 36 . 12 1 1 A 4 4 LEU CB C 34 41.772 42.506 -0.734 1
1 40 . 12 1 1 A 4 4 LEU N N 34 122.423 121.581 0.842 1
1 41 . 12 1 1 A 5 5 PRO HA H 35 4.551 4.754 -0.203 1
1 48 . 12 1 1 A 5 5 PRO C C 35 176.487 175.778 0.709 1
1 49 . 12 1 1 A 5 5 PRO CA C 35 62.771 62.401 0.370 1
1 50 . 12 1 1 A 5 5 PRO CB C 35 32.488 33.101 -0.613 1
1 53 . 12 1 1 A 6 6 THR H H 36 8.447 8.578 -0.131 1
1 54 . 12 1 1 A 6 6 THR HA H 36 4.445 4.516 -0.071 1
1 59 . 12 1 1 A 6 6 THR C C 36 174.231 172.706 1.525 1
1 60 . 12 1 1 A 6 6 THR CA C 36 61.727 61.134 0.593 1
1 61 . 12 1 1 A 6 6 THR CB C 36 69.213 69.378 -0.165 1
1 63 . 12 1 1 A 6 6 THR N N 36 111.916 116.166 -4.250 1
1 64 . 12 1 1 A 7 7 THR H H 37 7.303 7.666 -0.363 1
1 65 . 12 1 1 A 7 7 THR HA H 37 5.232 5.144 0.088 1
1 70 . 12 1 1 A 7 7 THR C C 37 175.848 174.838 1.010 1
1 71 . 12 1 1 A 7 7 THR CA C 37 58.599 59.167 -0.568 1
1 72 . 12 1 1 A 7 7 THR CB C 37 71.971 72.826 -0.855 1
1 74 . 12 1 1 A 7 7 THR N N 37 110.288 112.529 -2.241 1
1 75 . 12 1 1 A 8 8 LEU H H 38 9.065 8.333 0.732 1
1 76 . 12 1 1 A 8 8 LEU HA H 38 3.829 3.754 0.075 1
1 86 . 12 1 1 A 8 8 LEU C C 38 177.964 179.464 -1.500 1
1 87 . 12 1 1 A 8 8 LEU CA C 38 57.613 57.986 -0.373 1
1 88 . 12 1 1 A 8 8 LEU CB C 38 41.058 40.984 0.074 1
1 92 . 12 1 1 A 8 8 LEU N N 38 122.441 122.858 -0.417 1
1 93 . 12 1 1 A 9 9 GLY H H 39 8.753 8.401 0.352 1
1 94 . 12 1 1 A 9 9 GLY HA2 H 39 3.969 3.829 0.140 1
1 95 . 12 1 1 A 9 9 GLY HA3 H 39 3.769 3.830 -0.061 1
1 96 . 12 1 1 A 9 9 GLY C C 39 176.615 176.358 0.257 1
1 97 . 12 1 1 A 9 9 GLY CA C 39 47.314 47.073 0.241 1
1 98 . 12 1 1 A 9 9 GLY N N 39 104.356 106.339 -1.983 1
1 99 . 12 1 1 A 10 10 LYS H H 40 7.341 7.560 -0.219 1
1 100 . 12 1 1 A 10 10 LYS HA H 40 4.241 4.096 0.145 1
1 109 . 12 1 1 A 10 10 LYS C C 40 179.292 179.292 0.000 1
1 110 . 12 1 1 A 10 10 LYS CA C 40 58.108 59.257 -1.149 1
1 111 . 12 1 1 A 10 10 LYS CB C 40 32.346 32.650 -0.304 1
1 115 . 12 1 1 A 10 10 LYS N N 40 120.741 122.452 -1.711 1
1 116 . 12 1 1 A 11 11 LEU H H 41 8.033 7.677 0.356 1
1 117 . 12 1 1 A 11 11 LEU HA H 41 4.059 4.048 0.011 1
1 127 . 12 1 1 A 11 11 LEU C C 41 177.253 178.026 -0.773 1
1 128 . 12 1 1 A 11 11 LEU CA C 41 57.978 57.903 0.075 1
1 129 . 12 1 1 A 11 11 LEU CB C 41 41.760 41.666 0.094 1
1 133 . 12 1 1 A 11 11 LEU N N 41 121.501 121.644 -0.143 1
1 134 . 12 1 1 A 12 12 ASP H H 42 9.025 8.741 0.284 1
1 135 . 12 1 1 A 12 12 ASP HA H 42 4.045 4.253 -0.208 1
1 138 . 12 1 1 A 12 12 ASP C C 42 176.536 178.476 -1.940 1
1 139 . 12 1 1 A 12 12 ASP CA C 42 58.740 58.074 0.666 1
1 140 . 12 1 1 A 12 12 ASP CB C 42 44.783 41.793 2.990 1
1 141 . 12 1 1 A 12 12 ASP N N 42 119.776 119.200 0.576 1
1 142 . 12 1 1 A 13 13 GLU H H 43 7.253 8.366 -1.113 1
1 143 . 12 1 1 A 13 13 GLU HA H 43 3.869 4.054 -0.185 1
1 148 . 12 1 1 A 13 13 GLU C C 43 178.916 178.853 0.063 1
1 149 . 12 1 1 A 13 13 GLU CA C 43 59.511 59.333 0.178 1
1 150 . 12 1 1 A 13 13 GLU CB C 43 30.131 29.198 0.933 1
1 152 . 12 1 1 A 13 13 GLU N N 43 116.304 118.966 -2.662 1
1 153 . 12 1 1 A 14 14 ARG H H 44 7.234 7.722 -0.488 1
1 154 . 12 1 1 A 14 14 ARG HA H 44 3.920 4.177 -0.257 1
1 163 . 12 1 1 A 14 14 ARG C C 44 177.609 179.361 -1.752 1
1 164 . 12 1 1 A 14 14 ARG CA C 44 58.607 59.022 -0.415 1
1 165 . 12 1 1 A 14 14 ARG CB C 44 30.304 30.071 0.233 1
1 168 . 12 1 1 A 14 14 ARG N N 44 118.267 120.618 -2.351 1
1 171 . 12 1 1 A 15 15 LEU H H 45 8.734 8.626 0.108 1
1 172 . 12 1 1 A 15 15 LEU HA H 45 3.809 4.302 -0.493 1
1 182 . 12 1 1 A 15 15 LEU C C 45 179.204 179.382 -0.178 1
1 183 . 12 1 1 A 15 15 LEU CA C 45 58.248 58.285 -0.037 1
1 184 . 12 1 1 A 15 15 LEU CB C 45 42.076 41.511 0.565 1
1 188 . 12 1 1 A 15 15 LEU N N 45 117.856 119.778 -1.922 1
1 189 . 12 1 1 A 16 16 ARG H H 46 8.280 8.736 -0.456 1
1 190 . 12 1 1 A 16 16 ARG HA H 46 3.863 4.144 -0.281 1
1 200 . 12 1 1 A 16 16 ARG C C 46 179.432 178.920 0.512 1
1 201 . 12 1 1 A 16 16 ARG CA C 46 60.779 59.591 1.188 1
1 202 . 12 1 1 A 16 16 ARG CB C 46 29.824 29.855 -0.031 1
1 205 . 12 1 1 A 16 16 ARG N N 46 115.954 119.433 -3.479 1
1 209 . 12 1 1 A 17 17 ASN H H 47 7.433 7.939 -0.506 1
1 210 . 12 1 1 A 17 17 ASN HA H 47 4.458 4.500 -0.042 1
1 215 . 12 1 1 A 17 17 ASN C C 47 177.657 177.961 -0.304 1
1 216 . 12 1 1 A 17 17 ASN CA C 47 56.297 56.208 0.089 1
1 217 . 12 1 1 A 17 17 ASN CB C 47 38.540 38.182 0.358 1
1 219 . 12 1 1 A 17 17 ASN N N 47 118.514 117.911 0.603 1
1 221 . 12 1 1 A 18 18 TYR H H 48 8.945 8.552 0.393 1
1 222 . 12 1 1 A 18 18 TYR HA H 48 4.184 4.310 -0.126 1
1 229 . 12 1 1 A 18 18 TYR C C 48 177.806 178.363 -0.557 1
1 230 . 12 1 1 A 18 18 TYR CA C 48 58.651 60.970 -2.319 1
1 231 . 12 1 1 A 18 18 TYR CB C 48 36.527 37.676 -1.149 1
1 234 . 12 1 1 A 18 18 TYR N N 48 121.714 119.390 2.324 1
1 235 . 12 1 1 A 19 19 LEU H H 49 8.293 8.016 0.277 1
1 236 . 12 1 1 A 19 19 LEU HA H 49 3.410 3.575 -0.165 1
1 246 . 12 1 1 A 19 19 LEU C C 49 179.153 179.017 0.136 1
1 247 . 12 1 1 A 19 19 LEU CA C 49 57.822 57.968 -0.146 1
1 248 . 12 1 1 A 19 19 LEU CB C 49 41.929 41.474 0.455 1
1 252 . 12 1 1 A 19 19 LEU N N 49 119.284 120.801 -1.517 1
1 253 . 12 1 1 A 20 20 LYS H H 50 7.322 7.427 -0.105 1
1 254 . 12 1 1 A 20 20 LYS HA H 50 3.893 3.865 0.028 1
1 263 . 12 1 1 A 20 20 LYS C C 50 177.980 178.957 -0.977 1
1 264 . 12 1 1 A 20 20 LYS CA C 50 59.104 60.182 -1.078 1
1 265 . 12 1 1 A 20 20 LYS CB C 50 32.348 31.942 0.406 1
1 269 . 12 1 1 A 20 20 LYS N N 50 117.005 116.912 0.093 1
1 270 . 12 1 1 A 21 21 LYS H H 51 7.435 8.385 -0.950 1
1 271 . 12 1 1 A 21 21 LYS HA H 51 4.080 4.144 -0.064 1
1 280 . 12 1 1 A 21 21 LYS C C 51 178.971 178.145 0.826 1
1 281 . 12 1 1 A 21 21 LYS CA C 51 57.418 57.886 -0.468 1
1 282 . 12 1 1 A 21 21 LYS CB C 51 32.675 32.390 0.285 1
1 286 . 12 1 1 A 21 21 LYS N N 51 115.946 117.233 -1.287 1
1 287 . 12 1 1 A 22 22 GLY H H 52 8.290 7.552 0.738 1
1 288 . 12 1 1 A 22 22 GLY HA2 H 52 3.897 4.106 -0.209 1
1 289 . 12 1 1 A 22 22 GLY HA3 H 52 4.181 4.191 -0.010 1
1 290 . 12 1 1 A 22 22 GLY C C 52 173.610 173.710 -0.100 1
1 291 . 12 1 1 A 22 22 GLY CA C 52 45.088 45.350 -0.262 1
1 292 . 12 1 1 A 22 22 GLY N N 52 105.432 107.350 -1.918 1
1 293 . 12 1 1 A 23 23 THR H H 53 7.148 7.567 -0.419 1
1 294 . 12 1 1 A 23 23 THR HA H 53 4.838 4.549 0.289 1
1 300 . 12 1 1 A 23 23 THR C C 53 174.444 174.756 -0.312 1
1 301 . 12 1 1 A 23 23 THR CA C 53 59.766 59.061 0.705 1
1 302 . 12 1 1 A 23 23 THR CB C 53 72.471 71.354 1.117 1
1 304 . 12 1 1 A 23 23 THR N N 53 107.608 111.740 -4.132 1
1 305 . 12 1 1 A 24 24 LYS H H 54 8.414 8.423 -0.009 1
1 306 . 12 1 1 A 24 24 LYS HA H 54 4.355 4.081 0.274 1
1 315 . 12 1 1 A 24 24 LYS C C 54 177.632 176.803 0.829 1
1 316 . 12 1 1 A 24 24 LYS CA C 54 57.393 58.233 -0.840 1
1 317 . 12 1 1 A 24 24 LYS CB C 54 32.806 32.774 0.032 1
1 321 . 12 1 1 A 24 24 LYS N N 54 118.924 121.566 -2.642 1
1 322 . 12 1 1 A 25 25 ASN H H 55 7.823 7.873 -0.050 1
1 323 . 12 1 1 A 25 25 ASN HA H 55 4.992 4.914 0.078 1
1 328 . 12 1 1 A 25 25 ASN C C 55 174.882 175.275 -0.393 1
1 329 . 12 1 1 A 25 25 ASN CA C 55 51.540 52.574 -1.034 1
1 330 . 12 1 1 A 25 25 ASN CB C 55 38.209 40.180 -1.971 1
1 332 . 12 1 1 A 25 25 ASN N N 55 116.576 116.248 0.328 1
1 334 . 12 1 1 A 26 26 SER H H 56 8.557 9.004 -0.447 1
1 335 . 12 1 1 A 26 26 SER HA H 56 4.145 4.288 -0.143 1
1 338 . 12 1 1 A 26 26 SER C C 56 176.886 176.215 0.671 1
1 339 . 12 1 1 A 26 26 SER CA C 56 61.051 61.521 -0.470 1
1 340 . 12 1 1 A 26 26 SER CB C 56 62.398 62.817 -0.419 1
1 341 . 12 1 1 A 26 26 SER N N 56 118.968 121.473 -2.505 1
1 342 . 12 1 1 A 27 27 ALA H H 57 8.133 7.898 0.235 1
1 343 . 12 1 1 A 27 27 ALA HA H 57 4.277 4.266 0.011 1
1 347 . 12 1 1 A 27 27 ALA C C 57 177.779 178.163 -0.384 1
1 348 . 12 1 1 A 27 27 ALA CA C 57 54.020 53.680 0.340 1
1 349 . 12 1 1 A 27 27 ALA CB C 57 18.258 18.307 -0.049 1
1 350 . 12 1 1 A 27 27 ALA N N 57 125.334 122.826 2.508 1
1 351 . 12 1 1 A 28 28 GLN H H 58 7.113 8.195 -1.082 1
1 352 . 12 1 1 A 28 28 GLN HA H 58 4.262 4.235 0.027 1
1 359 . 12 1 1 A 28 28 GLN C C 58 174.984 175.925 -0.941 1
1 360 . 12 1 1 A 28 28 GLN CA C 58 56.272 56.319 -0.047 1
1 361 . 12 1 1 A 28 28 GLN CB C 58 28.627 27.988 0.639 1
1 364 . 12 1 1 A 28 28 GLN N N 58 112.472 114.166 -1.694 1
1 366 . 12 1 1 A 29 29 PHE H H 59 7.361 7.625 -0.264 1
1 367 . 12 1 1 A 29 29 PHE HA H 59 4.622 4.730 -0.108 1
1 375 . 12 1 1 A 29 29 PHE C C 59 173.987 175.616 -1.629 1
1 376 . 12 1 1 A 29 29 PHE CA C 59 59.534 58.378 1.156 1
1 377 . 12 1 1 A 29 29 PHE CB C 59 38.939 40.590 -1.651 1
1 381 . 12 1 1 A 29 29 PHE N N 59 118.258 119.640 -1.382 1
1 382 . 12 1 1 A 30 30 GLU H H 60 9.228 9.543 -0.315 1
1 383 . 12 1 1 A 30 30 GLU HA H 60 4.479 4.654 -0.175 1
1 388 . 12 1 1 A 30 30 GLU C C 60 176.282 175.903 0.379 1
1 389 . 12 1 1 A 30 30 GLU CA C 60 57.063 57.843 -0.780 1
1 390 . 12 1 1 A 30 30 GLU CB C 60 33.512 33.090 0.422 1
1 392 . 12 1 1 A 30 30 GLU N N 60 125.247 123.874 1.373 1
1 393 . 12 1 1 A 31 31 LYS H H 61 7.998 7.736 0.262 1
1 394 . 12 1 1 A 31 31 LYS HA H 61 5.074 4.868 0.206 1
1 403 . 12 1 1 A 31 31 LYS C C 61 172.325 174.583 -2.258 1
1 404 . 12 1 1 A 31 31 LYS CA C 61 54.881 55.049 -0.168 1
1 405 . 12 1 1 A 31 31 LYS CB C 61 35.683 35.927 -0.244 1
1 409 . 12 1 1 A 31 31 LYS N N 61 113.709 116.005 -2.296 1
1 410 . 12 1 1 A 32 32 MET H H 62 9.051 9.023 0.028 1
1 411 . 12 1 1 A 32 32 MET HA H 62 5.630 5.327 0.303 1
1 419 . 12 1 1 A 32 32 MET C C 62 172.898 174.180 -1.282 1
1 420 . 12 1 1 A 32 32 MET CA C 62 53.043 53.428 -0.385 1
1 421 . 12 1 1 A 32 32 MET CB C 62 35.214 35.303 -0.089 1
1 424 . 12 1 1 A 32 32 MET N N 62 118.635 117.403 1.232 1
1 425 . 12 1 1 A 33 33 VAL H H 63 9.186 8.903 0.283 1
1 426 . 12 1 1 A 33 33 VAL HA H 63 4.700 4.984 -0.284 1
1 434 . 12 1 1 A 33 33 VAL C C 63 174.133 173.692 0.441 1
1 435 . 12 1 1 A 33 33 VAL CA C 63 61.351 59.994 1.357 1
1 436 . 12 1 1 A 33 33 VAL CB C 63 34.651 35.340 -0.689 1
1 439 . 12 1 1 A 33 33 VAL N N 63 122.441 118.961 3.480 1
1 440 . 12 1 1 A 34 34 ILE H H 64 9.244 9.048 0.196 1
1 441 . 12 1 1 A 34 34 ILE HA H 64 4.302 4.921 -0.619 1
1 451 . 12 1 1 A 34 34 ILE C C 64 174.924 174.937 -0.013 1
1 452 . 12 1 1 A 34 34 ILE CA C 64 60.422 59.565 0.857 1
1 453 . 12 1 1 A 34 34 ILE CB C 64 41.255 40.964 0.291 1
1 457 . 12 1 1 A 34 34 ILE N N 64 127.876 128.357 -0.481 1
1 458 . 12 1 1 A 35 35 LEU H H 65 9.117 9.280 -0.163 1
1 459 . 12 1 1 A 35 35 LEU HA H 65 5.531 5.065 0.466 1
1 469 . 12 1 1 A 35 35 LEU C C 65 178.538 177.170 1.368 1
1 470 . 12 1 1 A 35 35 LEU CA C 65 53.047 54.068 -1.021 1
1 471 . 12 1 1 A 35 35 LEU CB C 65 43.797 43.690 0.107 1
1 475 . 12 1 1 A 35 35 LEU N N 65 125.572 127.242 -1.670 1
1 476 . 12 1 1 A 36 36 THR H H 66 8.634 9.057 -0.423 1
1 477 . 12 1 1 A 36 36 THR HA H 66 5.212 4.998 0.214 1
1 482 . 12 1 1 A 36 36 THR C C 66 174.918 174.863 0.055 1
1 483 . 12 1 1 A 36 36 THR CA C 66 59.374 60.683 -1.309 1
1 484 . 12 1 1 A 36 36 THR CB C 66 72.100 71.685 0.415 1
1 486 . 12 1 1 A 36 36 THR N N 66 112.840 116.657 -3.817 1
1 487 . 12 1 1 A 37 37 GLU H H 67 8.580 8.792 -0.212 1
1 488 . 12 1 1 A 37 37 GLU HA H 67 4.469 4.171 0.298 1
1 493 . 12 1 1 A 37 37 GLU C C 67 177.333 176.881 0.452 1
1 494 . 12 1 1 A 37 37 GLU CA C 67 57.348 56.320 1.028 1
1 495 . 12 1 1 A 37 37 GLU CB C 67 31.357 30.458 0.899 1
1 497 . 12 1 1 A 37 37 GLU N N 67 118.675 121.755 -3.080 1
1 498 . 12 1 1 A 38 38 ASN H H 68 8.580 9.212 -0.632 1
1 499 . 12 1 1 A 38 38 ASN HA H 68 3.768 4.533 -0.765 1
1 504 . 12 1 1 A 38 38 ASN C C 68 172.921 174.616 -1.695 1
1 505 . 12 1 1 A 38 38 ASN CA C 68 54.686 54.616 0.070 1
1 506 . 12 1 1 A 38 38 ASN CB C 68 36.511 37.096 -0.585 1
1 508 . 12 1 1 A 38 38 ASN N N 68 114.341 117.449 -3.108 1
1 510 . 12 1 1 A 39 39 LYS H H 69 7.891 8.752 -0.861 1
1 511 . 12 1 1 A 39 39 LYS HA H 69 3.936 3.866 0.070 1
1 520 . 12 1 1 A 39 39 LYS C C 69 177.032 175.980 1.052 1
1 521 . 12 1 1 A 39 39 LYS CA C 69 56.758 57.484 -0.726 1
1 522 . 12 1 1 A 39 39 LYS CB C 69 28.099 29.403 -1.304 1
1 526 . 12 1 1 A 39 39 LYS N N 69 107.932 109.766 -1.834 1
1 527 . 12 1 1 A 40 40 GLY H H 70 6.998 7.749 -0.751 1
1 528 . 12 1 1 A 40 40 GLY HA2 H 70 4.362 3.665 0.697 1
1 529 . 12 1 1 A 40 40 GLY HA3 H 70 3.875 3.888 -0.013 1
1 530 . 12 1 1 A 40 40 GLY C C 70 173.763 172.871 0.892 1
1 531 . 12 1 1 A 40 40 GLY CA C 70 46.628 46.745 -0.117 1
1 532 . 12 1 1 A 40 40 GLY N N 70 107.011 107.089 -0.078 1
1 533 . 12 1 1 A 41 41 TYR H H 71 7.679 8.707 -1.028 1
1 534 . 12 1 1 A 41 41 TYR HA H 71 5.097 5.084 0.013 1
1 541 . 12 1 1 A 41 41 TYR C C 71 174.452 174.253 0.199 1
1 542 . 12 1 1 A 41 41 TYR CA C 71 57.730 58.390 -0.660 1
1 543 . 12 1 1 A 41 41 TYR CB C 71 40.474 39.541 0.933 1
1 546 . 12 1 1 A 41 41 TYR N N 71 129.822 127.055 2.767 1
1 547 . 12 1 1 A 42 42 TYR H H 72 9.101 8.671 0.430 1
1 548 . 12 1 1 A 42 42 TYR HA H 72 4.875 5.144 -0.269 1
1 555 . 12 1 1 A 42 42 TYR C C 72 174.448 174.414 0.034 1
1 556 . 12 1 1 A 42 42 TYR CA C 72 56.114 56.522 -0.408 1
1 557 . 12 1 1 A 42 42 TYR CB C 72 41.115 42.763 -1.648 1
1 560 . 12 1 1 A 42 42 TYR N N 72 126.527 125.408 1.119 1
1 561 . 12 1 1 A 43 43 THR H H 73 9.022 8.850 0.172 1
1 562 . 12 1 1 A 43 43 THR HA H 73 4.876 5.232 -0.356 1
1 567 . 12 1 1 A 43 43 THR C C 73 174.791 172.340 2.451 1
1 568 . 12 1 1 A 43 43 THR CA C 73 62.821 59.815 3.006 1
1 569 . 12 1 1 A 43 43 THR CB C 73 68.769 71.287 -2.518 1
1 571 . 12 1 1 A 43 43 THR N N 73 120.810 115.420 5.390 1
1 572 . 12 1 1 A 44 44 VAL H H 74 9.233 9.002 0.231 1
1 573 . 12 1 1 A 44 44 VAL HA H 74 4.427 4.709 -0.282 1
1 581 . 12 1 1 A 44 44 VAL C C 74 175.094 173.955 1.139 1
1 582 . 12 1 1 A 44 44 VAL CA C 74 61.457 60.913 0.544 1
1 583 . 12 1 1 A 44 44 VAL CB C 74 35.669 35.907 -0.238 1
1 586 . 12 1 1 A 44 44 VAL N N 74 129.156 126.451 2.705 1
1 587 . 12 1 1 A 45 45 TYR H H 75 9.384 9.041 0.343 1
1 588 . 12 1 1 A 45 45 TYR HA H 75 4.528 4.985 -0.457 1
1 595 . 12 1 1 A 45 45 TYR C C 75 176.497 176.147 0.350 1
1 596 . 12 1 1 A 45 45 TYR CA C 75 59.843 57.521 2.322 1
1 597 . 12 1 1 A 45 45 TYR CB C 75 38.245 39.068 -0.823 1
1 600 . 12 1 1 A 45 45 TYR N N 75 128.465 127.061 1.404 1
1 601 . 12 1 1 A 46 46 LEU H H 76 8.524 8.802 -0.278 1
1 602 . 12 1 1 A 46 46 LEU HA H 76 4.528 4.263 0.265 1
1 612 . 12 1 1 A 46 46 LEU C C 76 177.001 179.112 -2.111 1
1 613 . 12 1 1 A 46 46 LEU CA C 76 55.010 57.315 -2.305 1
1 614 . 12 1 1 A 46 46 LEU CB C 76 42.094 41.742 0.352 1
1 618 . 12 1 1 A 46 46 LEU N N 76 119.547 127.306 -7.759 1
1 619 . 12 1 1 A 47 47 ASN H H 77 8.599 7.732 0.867 1
1 620 . 12 1 1 A 47 47 ASN HA H 77 4.618 4.675 -0.057 1
1 625 . 12 1 1 A 47 47 ASN C C 77 173.844 174.995 -1.151 1
1 626 . 12 1 1 A 47 47 ASN CA C 77 54.045 55.063 -1.018 1
1 627 . 12 1 1 A 47 47 ASN CB C 77 37.058 38.321 -1.263 1
1 629 . 12 1 1 A 47 47 ASN N N 77 116.407 116.136 0.271 1
1 631 . 12 1 1 A 48 48 THR H H 78 7.429 7.134 0.295 1
1 632 . 12 1 1 A 48 48 THR HA H 78 4.803 5.050 -0.247 1
1 637 . 12 1 1 A 48 48 THR C C 78 175.201 171.834 3.367 1
1 638 . 12 1 1 A 48 48 THR CA C 78 58.577 58.762 -0.185 1
1 639 . 12 1 1 A 48 48 THR CB C 78 70.494 70.778 -0.284 1
1 641 . 12 1 1 A 48 48 THR N N 78 111.551 109.660 1.891 1
1 642 . 12 1 1 A 49 49 PRO HA H 79 4.462 4.582 -0.120 1
1 649 . 12 1 1 A 49 49 PRO C C 79 176.670 176.712 -0.042 1
1 650 . 12 1 1 A 49 49 PRO CA C 79 62.384 62.800 -0.416 1
1 651 . 12 1 1 A 49 49 PRO CB C 79 32.205 32.197 0.008 1
1 654 . 12 1 1 A 50 50 LEU H H 80 9.049 8.423 0.626 1
1 655 . 12 1 1 A 50 50 LEU HA H 80 4.081 4.274 -0.193 1
1 665 . 12 1 1 A 50 50 LEU C C 80 176.758 176.562 0.196 1
1 666 . 12 1 1 A 50 50 LEU CA C 80 55.315 56.184 -0.869 1
1 667 . 12 1 1 A 50 50 LEU CB C 80 41.915 42.641 -0.726 1
1 671 . 12 1 1 A 50 50 LEU N N 80 126.341 124.439 1.902 1
1 672 . 12 1 1 A 51 51 ALA H H 81 8.415 8.846 -0.431 1
1 673 . 12 1 1 A 51 51 ALA HA H 81 4.187 4.385 -0.198 1
1 677 . 12 1 1 A 51 51 ALA C C 81 179.005 178.546 0.459 1
1 678 . 12 1 1 A 51 51 ALA CA C 81 52.851 52.732 0.119 1
1 679 . 12 1 1 A 51 51 ALA CB C 81 19.625 19.238 0.387 1
1 680 . 12 1 1 A 51 51 ALA N N 81 129.745 128.834 0.911 1
1 681 . 12 1 1 A 52 52 GLU H H 82 8.739 8.854 -0.115 1
1 682 . 12 1 1 A 52 52 GLU HA H 82 3.815 4.059 -0.244 1
1 687 . 12 1 1 A 52 52 GLU C C 82 178.591 178.401 0.190 1
1 688 . 12 1 1 A 52 52 GLU CA C 82 59.566 58.861 0.705 1
1 689 . 12 1 1 A 52 52 GLU CB C 82 29.774 29.153 0.621 1
1 691 . 12 1 1 A 52 52 GLU N N 82 121.424 122.920 -1.496 1
1 692 . 12 1 1 A 53 53 ASP H H 83 8.511 8.225 0.286 1
1 693 . 12 1 1 A 53 53 ASP HA H 83 4.427 4.404 0.023 1
1 696 . 12 1 1 A 53 53 ASP C C 83 177.306 179.013 -1.707 1
1 697 . 12 1 1 A 53 53 ASP CA C 83 55.398 56.576 -1.178 1
1 698 . 12 1 1 A 53 53 ASP CB C 83 39.430 40.203 -0.773 1
1 699 . 12 1 1 A 53 53 ASP N N 83 114.043 120.619 -6.576 1
1 700 . 12 1 1 A 54 54 ARG H H 84 7.800 7.726 0.074 1
1 701 . 12 1 1 A 54 54 ARG HA H 84 4.527 4.171 0.356 1
1 710 . 12 1 1 A 54 54 ARG C C 84 176.966 178.331 -1.365 1
1 711 . 12 1 1 A 54 54 ARG CA C 84 55.915 58.681 -2.766 1
1 712 . 12 1 1 A 54 54 ARG CB C 84 31.804 30.030 1.774 1
1 715 . 12 1 1 A 54 54 ARG N N 84 118.147 120.311 -2.164 1
1 718 . 12 1 1 A 55 55 LYS H H 85 7.335 7.382 -0.047 1
1 719 . 12 1 1 A 55 55 LYS HA H 85 3.551 4.188 -0.637 1
1 728 . 12 1 1 A 55 55 LYS C C 85 178.113 177.316 0.797 1
1 729 . 12 1 1 A 55 55 LYS CA C 85 59.887 58.340 1.547 1
1 730 . 12 1 1 A 55 55 LYS CB C 85 32.935 32.158 0.777 1
1 734 . 12 1 1 A 55 55 LYS N N 85 116.576 118.605 -2.029 1
1 735 . 12 1 1 A 56 56 ASN H H 86 8.347 7.867 0.480 1
1 736 . 12 1 1 A 56 56 ASN HA H 86 4.886 4.957 -0.071 1
1 741 . 12 1 1 A 56 56 ASN C C 86 174.736 175.145 -0.409 1
1 742 . 12 1 1 A 56 56 ASN CA C 86 52.265 53.239 -0.974 1
1 743 . 12 1 1 A 56 56 ASN CB C 86 38.239 40.516 -2.277 1
1 745 . 12 1 1 A 56 56 ASN N N 86 114.341 115.639 -1.298 1
1 747 . 12 1 1 A 57 57 VAL H H 87 6.985 7.242 -0.257 1
1 748 . 12 1 1 A 57 57 VAL HA H 87 3.746 4.100 -0.354 1
1 756 . 12 1 1 A 57 57 VAL C C 87 175.380 176.137 -0.757 1
1 757 . 12 1 1 A 57 57 VAL CA C 87 63.723 62.311 1.412 1
1 758 . 12 1 1 A 57 57 VAL CB C 87 32.650 32.684 -0.034 1
1 761 . 12 1 1 A 57 57 VAL N N 87 121.424 121.612 -0.188 1
1 762 . 12 1 1 A 58 58 GLU H H 88 8.777 8.562 0.215 1
1 763 . 12 1 1 A 58 58 GLU HA H 88 4.339 4.546 -0.207 1
1 768 . 12 1 1 A 58 58 GLU C C 88 176.364 176.802 -0.438 1
1 769 . 12 1 1 A 58 58 GLU CA C 88 56.085 56.504 -0.419 1
1 770 . 12 1 1 A 58 58 GLU CB C 88 29.861 30.405 -0.544 1
1 772 . 12 1 1 A 58 58 GLU N N 88 129.489 128.107 1.382 1
1 773 . 12 1 1 A 59 59 LEU H H 89 8.230 8.688 -0.458 1
1 774 . 12 1 1 A 59 59 LEU HA H 89 4.299 4.282 0.017 1
1 784 . 12 1 1 A 59 59 LEU C C 89 178.976 176.681 2.295 1
1 785 . 12 1 1 A 59 59 LEU CA C 89 54.651 54.768 -0.117 1
1 786 . 12 1 1 A 59 59 LEU CB C 89 42.596 40.804 1.792 1
1 790 . 12 1 1 A 59 59 LEU N N 89 124.395 125.457 -1.062 1
1 791 . 12 1 1 A 60 60 LEU H H 90 7.777 9.222 -1.445 1
1 792 . 12 1 1 A 60 60 LEU HA H 90 4.135 4.129 0.006 1
1 802 . 12 1 1 A 60 60 LEU C C 90 176.394 176.777 -0.383 1
1 803 . 12 1 1 A 60 60 LEU CA C 90 56.754 57.284 -0.530 1
1 804 . 12 1 1 A 60 60 LEU CB C 90 42.413 42.409 0.004 1
1 808 . 12 1 1 A 60 60 LEU N N 90 119.734 127.204 -7.470 1
1 809 . 12 1 1 A 61 61 GLY H H 91 7.224 7.442 -0.218 1
1 810 . 12 1 1 A 61 61 GLY HA2 H 91 4.165 4.066 0.099 1
1 811 . 12 1 1 A 61 61 GLY HA3 H 91 3.899 4.085 -0.186 1
1 812 . 12 1 1 A 61 61 GLY C C 91 171.742 172.491 -0.749 1
1 813 . 12 1 1 A 61 61 GLY CA C 91 44.969 45.573 -0.604 1
1 814 . 12 1 1 A 61 61 GLY N N 91 103.707 104.444 -0.737 1
1 815 . 12 1 1 A 62 62 LYS H H 92 8.771 8.509 0.262 1
1 816 . 12 1 1 A 62 62 LYS HA H 92 4.150 4.383 -0.233 1
1 825 . 12 1 1 A 62 62 LYS C C 92 177.522 175.956 1.566 1
1 826 . 12 1 1 A 62 62 LYS CA C 92 56.750 56.097 0.653 1
1 827 . 12 1 1 A 62 62 LYS CB C 92 33.835 33.482 0.353 1
1 831 . 12 1 1 A 62 62 LYS N N 92 118.635 120.931 -2.296 1
1 832 . 12 1 1 A 63 63 MET H H 93 9.188 8.416 0.772 1
1 833 . 12 1 1 A 63 63 MET HA H 93 3.835 4.528 -0.693 1
1 841 . 12 1 1 A 63 63 MET C C 93 173.913 175.723 -1.810 1
1 842 . 12 1 1 A 63 63 MET CA C 93 59.275 53.950 5.325 1
1 843 . 12 1 1 A 63 63 MET CB C 93 31.483 31.008 0.475 1
1 846 . 12 1 1 A 63 63 MET N N 93 123.413 124.418 -1.005 1
1 847 . 12 1 1 A 64 64 TYR H H 94 9.421 8.451 0.970 1
1 848 . 12 1 1 A 64 64 TYR HA H 94 4.767 4.274 0.493 1
1 855 . 12 1 1 A 64 64 TYR C C 94 173.918 174.941 -1.023 1
1 856 . 12 1 1 A 64 64 TYR CA C 94 56.933 61.535 -4.602 1
1 857 . 12 1 1 A 64 64 TYR CB C 94 40.020 38.925 1.095 1
1 860 . 12 1 1 A 64 64 TYR N N 94 129.403 125.530 3.873 1
1 861 . 12 1 1 A 65 65 LYS H H 95 7.289 7.402 -0.113 1
1 862 . 12 1 1 A 65 65 LYS HA H 95 4.688 4.584 0.104 1
1 871 . 12 1 1 A 65 65 LYS C C 95 175.000 174.054 0.946 1
1 872 . 12 1 1 A 65 65 LYS CA C 95 55.841 55.496 0.345 1
1 873 . 12 1 1 A 65 65 LYS CB C 95 40.404 35.876 4.528 1
1 877 . 12 1 1 A 65 65 LYS N N 95 118.804 118.209 0.595 1
1 878 . 12 1 1 A 66 66 THR H H 96 8.727 7.843 0.884 1
1 879 . 12 1 1 A 66 66 THR HA H 96 5.149 5.150 -0.001 1
1 885 . 12 1 1 A 66 66 THR C C 96 172.120 172.436 -0.316 1
1 886 . 12 1 1 A 66 66 THR CA C 96 62.226 60.429 1.797 1
1 887 . 12 1 1 A 66 66 THR CB C 96 71.787 71.844 -0.057 1
1 889 . 12 1 1 A 66 66 THR N N 96 116.235 118.806 -2.571 1
1 890 . 12 1 1 A 67 67 TYR H H 97 8.969 9.014 -0.045 1
1 891 . 12 1 1 A 67 67 TYR HA H 97 5.027 5.233 -0.206 1
1 898 . 12 1 1 A 67 67 TYR C C 97 175.077 174.520 0.557 1
1 899 . 12 1 1 A 67 67 TYR CA C 97 57.278 56.583 0.695 1
1 900 . 12 1 1 A 67 67 TYR CB C 97 42.054 42.852 -0.798 1
1 903 . 12 1 1 A 67 67 TYR N N 97 125.256 123.366 1.890 1
1 904 . 12 1 1 A 68 68 PHE H H 98 9.189 9.138 0.051 1
1 905 . 12 1 1 A 68 68 PHE HA H 98 5.177 5.088 0.089 1
1 913 . 12 1 1 A 68 68 PHE C C 98 174.791 174.815 -0.024 1
1 914 . 12 1 1 A 68 68 PHE CA C 98 57.825 56.745 1.080 1
1 915 . 12 1 1 A 68 68 PHE CB C 98 42.377 43.353 -0.976 1
1 919 . 12 1 1 A 68 68 PHE N N 98 118.574 119.659 -1.085 1
1 920 . 12 1 1 A 69 69 PHE H H 99 8.976 9.787 -0.811 1
1 921 . 12 1 1 A 69 69 PHE HA H 99 4.893 5.286 -0.393 1
1 929 . 12 1 1 A 69 69 PHE C C 99 176.386 175.799 0.587 1
1 930 . 12 1 1 A 69 69 PHE CA C 99 56.777 56.407 0.370 1
1 931 . 12 1 1 A 69 69 PHE CB C 99 41.371 42.315 -0.944 1
1 935 . 12 1 1 A 69 69 PHE N N 99 119.573 121.431 -1.858 1
1 936 . 12 1 1 A 70 70 LYS H H 100 9.479 8.926 0.553 1
1 937 . 12 1 1 A 70 70 LYS HA H 100 4.533 4.338 0.195 1
1 946 . 12 1 1 A 70 70 LYS C C 100 176.156 177.683 -1.527 1
1 947 . 12 1 1 A 70 70 LYS CA C 100 56.706 56.023 0.683 1
1 948 . 12 1 1 A 70 70 LYS CB C 100 33.667 33.145 0.522 1
1 952 . 12 1 1 A 70 70 LYS N N 100 125.614 123.485 2.129 1
1 953 . 12 1 1 A 71 71 LYS H H 101 8.068 9.038 -0.970 1
1 954 . 12 1 1 A 71 71 LYS HA H 101 4.188 4.308 -0.120 1
1 963 . 12 1 1 A 71 71 LYS C C 101 177.655 176.706 0.949 1
1 964 . 12 1 1 A 71 71 LYS CA C 101 58.238 56.269 1.969 1
1 965 . 12 1 1 A 71 71 LYS CB C 101 32.342 31.549 0.793 1
1 969 . 12 1 1 A 71 71 LYS N N 101 121.057 119.989 1.068 1
1 970 . 12 1 1 A 72 72 GLY H H 102 8.899 7.860 1.039 1
1 971 . 12 1 1 A 72 72 GLY HA2 H 102 4.196 4.098 0.098 1
1 972 . 12 1 1 A 72 72 GLY HA3 H 102 3.815 4.110 -0.295 1
1 973 . 12 1 1 A 72 72 GLY C C 102 173.997 173.592 0.405 1
1 974 . 12 1 1 A 72 72 GLY CA C 102 45.802 45.221 0.581 1
1 975 . 12 1 1 A 72 72 GLY N N 102 114.112 108.012 6.100 1
1 976 . 12 1 1 A 73 73 GLU H H 103 8.047 7.800 0.247 1
1 977 . 12 1 1 A 73 73 GLU HA H 103 4.764 4.974 -0.210 1
1 982 . 12 1 1 A 73 73 GLU C C 103 175.975 174.884 1.091 1
1 983 . 12 1 1 A 73 73 GLU CA C 103 56.295 55.706 0.589 1
1 984 . 12 1 1 A 73 73 GLU CB C 103 31.153 33.829 -2.676 1
1 986 . 12 1 1 A 73 73 GLU N N 103 119.538 120.041 -0.503 1
1 987 . 12 1 1 A 74 74 SER H H 104 8.742 9.179 -0.437 1
1 988 . 12 1 1 A 74 74 SER HA H 104 4.598 4.764 -0.166 1
1 991 . 12 1 1 A 74 74 SER C C 104 171.916 173.627 -1.711 1
1 992 . 12 1 1 A 74 74 SER CA C 104 58.363 58.100 0.263 1
1 993 . 12 1 1 A 74 74 SER CB C 104 64.025 64.774 -0.749 1
1 994 . 12 1 1 A 74 74 SER N N 104 115.383 119.542 -4.159 1
1 995 . 12 1 1 A 75 75 LYS H H 105 7.608 7.606 0.002 1
1 996 . 12 1 1 A 75 75 LYS HA H 105 5.588 5.184 0.404 1
1 1005 . 12 1 1 A 75 75 LYS C C 105 176.017 174.775 1.242 1
1 1006 . 12 1 1 A 75 75 LYS CA C 105 54.548 55.244 -0.696 1
1 1007 . 12 1 1 A 75 75 LYS CB C 105 35.211 35.830 -0.619 1
1 1011 . 12 1 1 A 75 75 LYS N N 105 121.040 122.367 -1.327 1
1 1012 . 12 1 1 A 76 76 SER H H 106 8.231 8.785 -0.554 1
1 1013 . 12 1 1 A 76 76 SER HA H 106 3.377 4.050 -0.673 1
1 1016 . 12 1 1 A 76 76 SER C C 106 172.571 174.855 -2.284 1
1 1017 . 12 1 1 A 76 76 SER CA C 106 59.650 58.047 1.603 1
1 1018 . 12 1 1 A 76 76 SER CB C 106 64.857 62.475 2.382 1
1 1019 . 12 1 1 A 76 76 SER N N 106 121.783 119.619 2.164 1
1 1020 . 12 1 1 A 77 77 SER H H 107 8.333 8.499 -0.166 1
1 1021 . 12 1 1 A 77 77 SER HA H 107 5.025 4.464 0.561 1
1 1024 . 12 1 1 A 77 77 SER C C 107 174.507 173.356 1.151 1
1 1025 . 12 1 1 A 77 77 SER CA C 107 57.561 60.060 -2.499 1
1 1026 . 12 1 1 A 77 77 SER CB C 107 65.330 64.037 1.293 1
1 1027 . 12 1 1 A 77 77 SER N N 107 106.276 119.144 -12.868 1
1 1028 . 12 1 1 A 78 78 TYR H H 108 7.825 7.701 0.124 1
1 1029 . 12 1 1 A 78 78 TYR HA H 108 4.754 4.811 -0.057 1
1 1036 . 12 1 1 A 78 78 TYR C C 108 171.725 173.753 -2.028 1
1 1037 . 12 1 1 A 78 78 TYR CA C 108 57.778 56.608 1.170 1
1 1038 . 12 1 1 A 78 78 TYR CB C 108 43.223 41.701 1.522 1
1 1041 . 12 1 1 A 78 78 TYR N N 108 126.289 119.717 6.572 1
1 1042 . 12 1 1 A 79 79 VAL H H 109 7.760 8.374 -0.614 1
1 1043 . 12 1 1 A 79 79 VAL HA H 109 5.215 4.802 0.413 1
1 1051 . 12 1 1 A 79 79 VAL C C 109 172.526 174.044 -1.518 1
1 1052 . 12 1 1 A 79 79 VAL CA C 109 59.193 59.609 -0.416 1
1 1053 . 12 1 1 A 79 79 VAL CB C 109 36.173 36.090 0.083 1
1 1056 . 12 1 1 A 79 79 VAL N N 109 127.825 121.317 6.508 1
1 1057 . 12 1 1 A 80 80 ILE H H 110 8.616 8.499 0.117 1
1 1058 . 12 1 1 A 80 80 ILE HA H 110 4.011 4.463 -0.452 1
1 1068 . 12 1 1 A 80 80 ILE C C 110 174.690 174.320 0.370 1
1 1069 . 12 1 1 A 80 80 ILE CA C 110 60.922 59.564 1.358 1
1 1070 . 12 1 1 A 80 80 ILE CB C 110 42.047 42.043 0.004 1
1 1074 . 12 1 1 A 80 80 ILE N N 110 124.001 121.905 2.096 1
1 1075 . 12 1 1 A 81 81 ASN H H 111 8.937 8.309 0.628 1
1 1076 . 12 1 1 A 81 81 ASN HA H 111 4.760 5.440 -0.680 1
1 1081 . 12 1 1 A 81 81 ASN C C 111 175.326 175.422 -0.096 1
1 1082 . 12 1 1 A 81 81 ASN CA C 111 53.600 51.299 2.301 1
1 1083 . 12 1 1 A 81 81 ASN CB C 111 40.412 40.963 -0.551 1
1 1085 . 12 1 1 A 81 81 ASN N N 111 126.229 123.128 3.101 1
1 1087 . 12 1 1 A 82 82 GLY H H 112 7.984 8.145 -0.161 1
1 1088 . 12 1 1 A 82 82 GLY HA2 H 112 4.457 4.208 0.249 1
1 1089 . 12 1 1 A 82 82 GLY HA3 H 112 3.847 4.233 -0.386 1
1 1090 . 12 1 1 A 82 82 GLY C C 112 171.875 171.219 0.656 1
1 1091 . 12 1 1 A 82 82 GLY CA C 112 43.303 45.143 -1.840 1
1 1092 . 12 1 1 A 82 82 GLY N N 112 110.894 108.855 2.039 1
1 1093 . 12 1 1 A 83 83 PRO HA H 113 4.609 4.427 0.182 1
1 1100 . 12 1 1 A 83 83 PRO C C 113 178.327 177.480 0.847 1
1 1101 . 12 1 1 A 83 83 PRO CA C 113 63.342 63.462 -0.120 1
1 1102 . 12 1 1 A 83 83 PRO CB C 113 32.232 31.870 0.362 1
1 1105 . 12 1 1 A 84 84 GLY H H 114 8.939 8.737 0.202 1
1 1106 . 12 1 1 A 84 84 GLY HA2 H 114 4.055 4.003 0.052 1
1 1107 . 12 1 1 A 84 84 GLY HA3 H 114 3.192 4.069 -0.877 1
1 1108 . 12 1 1 A 84 84 GLY C C 114 172.587 175.598 -3.011 1
1 1109 . 12 1 1 A 84 84 GLY CA C 114 44.667 45.419 -0.752 1
1 1110 . 12 1 1 A 84 84 GLY N N 114 109.324 111.279 -1.955 1
1 1111 . 12 1 1 A 85 85 LYS H H 115 9.550 8.193 1.357 1
1 1112 . 12 1 1 A 85 85 LYS HA H 115 4.527 3.900 0.627 1
1 1121 . 12 1 1 A 85 85 LYS C C 115 175.690 174.321 1.369 1
1 1122 . 12 1 1 A 85 85 LYS CA C 115 56.251 57.730 -1.479 1
1 1123 . 12 1 1 A 85 85 LYS CB C 115 34.217 30.300 3.917 1
1 1127 . 12 1 1 A 85 85 LYS N N 115 119.240 115.458 3.782 1
1 1128 . 12 1 1 A 86 86 THR H H 116 7.327 7.550 -0.223 1
1 1129 . 12 1 1 A 86 86 THR HA H 116 3.572 3.910 -0.338 1
1 1134 . 12 1 1 A 86 86 THR C C 116 170.519 172.624 -2.105 1
1 1135 . 12 1 1 A 86 86 THR CA C 116 59.094 60.193 -1.099 1
1 1136 . 12 1 1 A 86 86 THR CB C 116 68.191 69.671 -1.480 1
1 1138 . 12 1 1 A 86 86 THR N N 116 113.403 110.162 3.241 1
1 1139 . 12 1 1 A 87 87 ASN H H 117 8.035 8.532 -0.497 1
1 1140 . 12 1 1 A 87 87 ASN HA H 117 4.914 4.782 0.132 1
1 1145 . 12 1 1 A 87 87 ASN C C 117 175.798 175.821 -0.023 1
1 1146 . 12 1 1 A 87 87 ASN CA C 117 52.062 54.867 -2.805 1
1 1147 . 12 1 1 A 87 87 ASN CB C 117 40.563 39.210 1.353 1
1 1149 . 12 1 1 A 87 87 ASN N N 117 118.907 122.435 -3.528 1
1 1151 . 12 1 1 A 88 88 GLU H H 118 8.362 7.563 0.799 1
1 1152 . 12 1 1 A 88 88 GLU HA H 118 4.116 4.550 -0.434 1
1 1157 . 12 1 1 A 88 88 GLU C C 118 175.935 176.993 -1.058 1
1 1158 . 12 1 1 A 88 88 GLU CA C 118 55.589 55.555 0.034 1
1 1159 . 12 1 1 A 88 88 GLU CB C 118 29.435 28.675 0.760 1
1 1161 . 12 1 1 A 88 88 GLU N N 118 119.547 119.196 0.351 1
1 1162 . 12 1 1 A 89 89 TYR H H 119 7.918 9.238 -1.320 1
1 1163 . 12 1 1 A 89 89 TYR HA H 119 4.639 4.362 0.277 1
1 1170 . 12 1 1 A 89 89 TYR C C 119 175.750 174.830 0.920 1
1 1171 . 12 1 1 A 89 89 TYR CA C 119 59.270 59.015 0.255 1
1 1172 . 12 1 1 A 89 89 TYR CB C 119 38.274 37.245 1.029 1
1 1175 . 12 1 1 A 89 89 TYR N N 119 118.293 124.264 -5.971 1
1 1176 . 12 1 1 A 90 90 ALA H H 120 8.285 8.373 -0.088 1
1 1177 . 12 1 1 A 90 90 ALA HA H 120 4.273 3.991 0.282 1
1 1181 . 12 1 1 A 90 90 ALA C C 120 175.773 175.672 0.101 1
1 1182 . 12 1 1 A 90 90 ALA CA C 120 52.014 53.148 -1.134 1
1 1183 . 12 1 1 A 90 90 ALA CB C 120 19.920 17.198 2.722 1
1 1184 . 12 1 1 A 90 90 ALA N N 120 126.212 117.092 9.120 1
1 11 . 13 1 1 A 2 2 SER HA H 32 4.469 4.480 -0.011 1
1 14 . 13 1 1 A 2 2 SER C C 32 174.865 174.153 0.712 1
1 15 . 13 1 1 A 2 2 SER CA C 32 58.680 58.013 0.667 1
1 16 . 13 1 1 A 2 2 SER CB C 32 63.805 64.412 -0.607 1
1 17 . 13 1 1 A 3 3 GLY H H 33 8.513 8.242 0.271 1
1 18 . 13 1 1 A 3 3 GLY HA2 H 33 3.972 4.019 -0.047 1
1 19 . 13 1 1 A 3 3 GLY HA3 H 33 3.972 4.020 -0.048 1
1 20 . 13 1 1 A 3 3 GLY C C 33 173.735 174.391 -0.656 1
1 21 . 13 1 1 A 3 3 GLY CA C 33 45.132 45.499 -0.367 1
1 22 . 13 1 1 A 3 3 GLY N N 33 110.526 110.665 -0.139 1
1 23 . 13 1 1 A 4 4 LEU H H 34 8.145 8.061 0.084 1
1 24 . 13 1 1 A 4 4 LEU HA H 34 4.599 4.492 0.107 1
1 34 . 13 1 1 A 4 4 LEU C C 34 175.201 174.943 0.258 1
1 35 . 13 1 1 A 4 4 LEU CA C 34 53.002 52.603 0.399 1
1 36 . 13 1 1 A 4 4 LEU CB C 34 41.772 41.701 0.071 1
1 40 . 13 1 1 A 4 4 LEU N N 34 122.423 122.474 -0.051 1
1 41 . 13 1 1 A 5 5 PRO HA H 35 4.551 4.725 -0.174 1
1 48 . 13 1 1 A 5 5 PRO C C 35 176.487 176.268 0.219 1
1 49 . 13 1 1 A 5 5 PRO CA C 35 62.771 62.552 0.219 1
1 50 . 13 1 1 A 5 5 PRO CB C 35 32.488 32.292 0.196 1
1 53 . 13 1 1 A 6 6 THR H H 36 8.447 8.583 -0.136 1
1 54 . 13 1 1 A 6 6 THR HA H 36 4.445 4.512 -0.067 1
1 59 . 13 1 1 A 6 6 THR C C 36 174.231 173.004 1.227 1
1 60 . 13 1 1 A 6 6 THR CA C 36 61.727 60.990 0.737 1
1 61 . 13 1 1 A 6 6 THR CB C 36 69.213 69.653 -0.440 1
1 63 . 13 1 1 A 6 6 THR N N 36 111.916 117.418 -5.502 1
1 64 . 13 1 1 A 7 7 THR H H 37 7.303 7.587 -0.284 1
1 65 . 13 1 1 A 7 7 THR HA H 37 5.232 5.087 0.145 1
1 70 . 13 1 1 A 7 7 THR C C 37 175.848 174.736 1.112 1
1 71 . 13 1 1 A 7 7 THR CA C 37 58.599 59.142 -0.543 1
1 72 . 13 1 1 A 7 7 THR CB C 37 71.971 72.158 -0.187 1
1 74 . 13 1 1 A 7 7 THR N N 37 110.288 112.563 -2.275 1
1 75 . 13 1 1 A 8 8 LEU H H 38 9.065 8.310 0.755 1
1 76 . 13 1 1 A 8 8 LEU HA H 38 3.829 3.816 0.013 1
1 86 . 13 1 1 A 8 8 LEU C C 38 177.964 179.374 -1.410 1
1 87 . 13 1 1 A 8 8 LEU CA C 38 57.613 57.917 -0.304 1
1 88 . 13 1 1 A 8 8 LEU CB C 38 41.058 41.259 -0.201 1
1 92 . 13 1 1 A 8 8 LEU N N 38 122.441 122.826 -0.385 1
1 93 . 13 1 1 A 9 9 GLY H H 39 8.753 8.398 0.355 1
1 94 . 13 1 1 A 9 9 GLY HA2 H 39 3.969 3.774 0.195 1
1 95 . 13 1 1 A 9 9 GLY HA3 H 39 3.769 3.775 -0.006 1
1 96 . 13 1 1 A 9 9 GLY C C 39 176.615 175.954 0.661 1
1 97 . 13 1 1 A 9 9 GLY CA C 39 47.314 47.116 0.198 1
1 98 . 13 1 1 A 9 9 GLY N N 39 104.356 106.530 -2.174 1
1 99 . 13 1 1 A 10 10 LYS H H 40 7.341 7.951 -0.610 1
1 100 . 13 1 1 A 10 10 LYS HA H 40 4.241 4.043 0.198 1
1 109 . 13 1 1 A 10 10 LYS C C 40 179.292 179.303 -0.011 1
1 110 . 13 1 1 A 10 10 LYS CA C 40 58.108 59.256 -1.148 1
1 111 . 13 1 1 A 10 10 LYS CB C 40 32.346 32.070 0.276 1
1 115 . 13 1 1 A 10 10 LYS N N 40 120.741 122.361 -1.620 1
1 116 . 13 1 1 A 11 11 LEU H H 41 8.033 8.105 -0.072 1
1 117 . 13 1 1 A 11 11 LEU HA H 41 4.059 4.117 -0.058 1
1 127 . 13 1 1 A 11 11 LEU C C 41 177.253 177.970 -0.717 1
1 128 . 13 1 1 A 11 11 LEU CA C 41 57.978 57.668 0.310 1
1 129 . 13 1 1 A 11 11 LEU CB C 41 41.760 41.510 0.250 1
1 133 . 13 1 1 A 11 11 LEU N N 41 121.501 121.744 -0.243 1
1 134 . 13 1 1 A 12 12 ASP H H 42 9.025 8.596 0.429 1
1 135 . 13 1 1 A 12 12 ASP HA H 42 4.045 4.311 -0.266 1
1 138 . 13 1 1 A 12 12 ASP C C 42 176.536 178.590 -2.054 1
1 139 . 13 1 1 A 12 12 ASP CA C 42 58.740 58.016 0.724 1
1 140 . 13 1 1 A 12 12 ASP CB C 42 44.783 42.167 2.616 1
1 141 . 13 1 1 A 12 12 ASP N N 42 119.776 119.151 0.625 1
1 142 . 13 1 1 A 13 13 GLU H H 43 7.253 8.181 -0.928 1
1 143 . 13 1 1 A 13 13 GLU HA H 43 3.869 4.069 -0.200 1
1 148 . 13 1 1 A 13 13 GLU C C 43 178.916 178.867 0.049 1
1 149 . 13 1 1 A 13 13 GLU CA C 43 59.511 59.314 0.197 1
1 150 . 13 1 1 A 13 13 GLU CB C 43 30.131 29.183 0.948 1
1 152 . 13 1 1 A 13 13 GLU N N 43 116.304 118.963 -2.659 1
1 153 . 13 1 1 A 14 14 ARG H H 44 7.234 7.631 -0.397 1
1 154 . 13 1 1 A 14 14 ARG HA H 44 3.920 4.197 -0.277 1
1 163 . 13 1 1 A 14 14 ARG C C 44 177.609 179.196 -1.587 1
1 164 . 13 1 1 A 14 14 ARG CA C 44 58.607 58.907 -0.300 1
1 165 . 13 1 1 A 14 14 ARG CB C 44 30.304 30.153 0.151 1
1 168 . 13 1 1 A 14 14 ARG N N 44 118.267 120.236 -1.969 1
1 171 . 13 1 1 A 15 15 LEU H H 45 8.734 8.873 -0.139 1
1 172 . 13 1 1 A 15 15 LEU HA H 45 3.809 4.379 -0.570 1
1 182 . 13 1 1 A 15 15 LEU C C 45 179.204 179.429 -0.225 1
1 183 . 13 1 1 A 15 15 LEU CA C 45 58.248 58.187 0.061 1
1 184 . 13 1 1 A 15 15 LEU CB C 45 42.076 41.563 0.513 1
1 188 . 13 1 1 A 15 15 LEU N N 45 117.856 119.801 -1.945 1
1 189 . 13 1 1 A 16 16 ARG H H 46 8.280 8.600 -0.320 1
1 190 . 13 1 1 A 16 16 ARG HA H 46 3.863 4.178 -0.315 1
1 200 . 13 1 1 A 16 16 ARG C C 46 179.432 179.052 0.380 1
1 201 . 13 1 1 A 16 16 ARG CA C 46 60.779 59.575 1.204 1
1 202 . 13 1 1 A 16 16 ARG CB C 46 29.824 29.878 -0.054 1
1 205 . 13 1 1 A 16 16 ARG N N 46 115.954 119.506 -3.552 1
1 209 . 13 1 1 A 17 17 ASN H H 47 7.433 7.855 -0.422 1
1 210 . 13 1 1 A 17 17 ASN HA H 47 4.458 4.473 -0.015 1
1 215 . 13 1 1 A 17 17 ASN C C 47 177.657 177.910 -0.253 1
1 216 . 13 1 1 A 17 17 ASN CA C 47 56.297 56.162 0.135 1
1 217 . 13 1 1 A 17 17 ASN CB C 47 38.540 38.324 0.216 1
1 219 . 13 1 1 A 17 17 ASN N N 47 118.514 117.799 0.715 1
1 221 . 13 1 1 A 18 18 TYR H H 48 8.945 8.611 0.334 1
1 222 . 13 1 1 A 18 18 TYR HA H 48 4.184 4.315 -0.131 1
1 229 . 13 1 1 A 18 18 TYR C C 48 177.806 178.369 -0.563 1
1 230 . 13 1 1 A 18 18 TYR CA C 48 58.651 61.190 -2.539 1
1 231 . 13 1 1 A 18 18 TYR CB C 48 36.527 37.848 -1.321 1
1 234 . 13 1 1 A 18 18 TYR N N 48 121.714 119.342 2.372 1
1 235 . 13 1 1 A 19 19 LEU H H 49 8.293 8.032 0.261 1
1 236 . 13 1 1 A 19 19 LEU HA H 49 3.410 3.594 -0.184 1
1 246 . 13 1 1 A 19 19 LEU C C 49 179.153 178.967 0.186 1
1 247 . 13 1 1 A 19 19 LEU CA C 49 57.822 57.715 0.107 1
1 248 . 13 1 1 A 19 19 LEU CB C 49 41.929 41.332 0.597 1
1 252 . 13 1 1 A 19 19 LEU N N 49 119.284 120.865 -1.581 1
1 253 . 13 1 1 A 20 20 LYS H H 50 7.322 7.628 -0.306 1
1 254 . 13 1 1 A 20 20 LYS HA H 50 3.893 3.896 -0.003 1
1 263 . 13 1 1 A 20 20 LYS C C 50 177.980 179.786 -1.806 1
1 264 . 13 1 1 A 20 20 LYS CA C 50 59.104 60.021 -0.917 1
1 265 . 13 1 1 A 20 20 LYS CB C 50 32.348 32.094 0.254 1
1 269 . 13 1 1 A 20 20 LYS N N 50 117.005 118.120 -1.115 1
1 270 . 13 1 1 A 21 21 LYS H H 51 7.435 8.042 -0.607 1
1 271 . 13 1 1 A 21 21 LYS HA H 51 4.080 3.979 0.101 1
1 280 . 13 1 1 A 21 21 LYS C C 51 178.971 178.182 0.789 1
1 281 . 13 1 1 A 21 21 LYS CA C 51 57.418 59.283 -1.865 1
1 282 . 13 1 1 A 21 21 LYS CB C 51 32.675 32.078 0.597 1
1 286 . 13 1 1 A 21 21 LYS N N 51 115.946 119.632 -3.686 1
1 287 . 13 1 1 A 22 22 GLY H H 52 8.290 7.909 0.381 1
1 288 . 13 1 1 A 22 22 GLY HA2 H 52 3.897 4.022 -0.125 1
1 289 . 13 1 1 A 22 22 GLY HA3 H 52 4.181 4.095 0.086 1
1 290 . 13 1 1 A 22 22 GLY C C 52 173.610 173.811 -0.201 1
1 291 . 13 1 1 A 22 22 GLY CA C 52 45.088 45.194 -0.106 1
1 292 . 13 1 1 A 22 22 GLY N N 52 105.432 107.771 -2.339 1
1 293 . 13 1 1 A 23 23 THR H H 53 7.148 7.003 0.145 1
1 294 . 13 1 1 A 23 23 THR HA H 53 4.838 4.586 0.252 1
1 300 . 13 1 1 A 23 23 THR C C 53 174.444 174.586 -0.142 1
1 301 . 13 1 1 A 23 23 THR CA C 53 59.766 59.234 0.532 1
1 302 . 13 1 1 A 23 23 THR CB C 53 72.471 71.694 0.777 1
1 304 . 13 1 1 A 23 23 THR N N 53 107.608 112.153 -4.545 1
1 305 . 13 1 1 A 24 24 LYS H H 54 8.414 8.449 -0.035 1
1 306 . 13 1 1 A 24 24 LYS HA H 54 4.355 4.117 0.238 1
1 315 . 13 1 1 A 24 24 LYS C C 54 177.632 176.636 0.996 1
1 316 . 13 1 1 A 24 24 LYS CA C 54 57.393 58.144 -0.751 1
1 317 . 13 1 1 A 24 24 LYS CB C 54 32.806 32.964 -0.158 1
1 321 . 13 1 1 A 24 24 LYS N N 54 118.924 120.109 -1.185 1
1 322 . 13 1 1 A 25 25 ASN H H 55 7.823 7.643 0.180 1
1 323 . 13 1 1 A 25 25 ASN HA H 55 4.992 4.955 0.037 1
1 328 . 13 1 1 A 25 25 ASN C C 55 174.882 174.750 0.132 1
1 329 . 13 1 1 A 25 25 ASN CA C 55 51.540 52.535 -0.995 1
1 330 . 13 1 1 A 25 25 ASN CB C 55 38.209 40.017 -1.808 1
1 332 . 13 1 1 A 25 25 ASN N N 55 116.576 114.648 1.928 1
1 334 . 13 1 1 A 26 26 SER H H 56 8.557 9.011 -0.454 1
1 335 . 13 1 1 A 26 26 SER HA H 56 4.145 4.416 -0.271 1
1 338 . 13 1 1 A 26 26 SER C C 56 176.886 176.435 0.451 1
1 339 . 13 1 1 A 26 26 SER CA C 56 61.051 61.574 -0.523 1
1 340 . 13 1 1 A 26 26 SER CB C 56 62.398 62.977 -0.579 1
1 341 . 13 1 1 A 26 26 SER N N 56 118.968 118.388 0.580 1
1 342 . 13 1 1 A 27 27 ALA H H 57 8.133 8.285 -0.152 1
1 343 . 13 1 1 A 27 27 ALA HA H 57 4.277 4.093 0.184 1
1 347 . 13 1 1 A 27 27 ALA C C 57 177.779 179.608 -1.829 1
1 348 . 13 1 1 A 27 27 ALA CA C 57 54.020 55.038 -1.018 1
1 349 . 13 1 1 A 27 27 ALA CB C 57 18.258 18.253 0.005 1
1 350 . 13 1 1 A 27 27 ALA N N 57 125.334 124.723 0.611 1
1 351 . 13 1 1 A 28 28 GLN H H 58 7.113 8.260 -1.147 1
1 352 . 13 1 1 A 28 28 GLN HA H 58 4.262 4.226 0.036 1
1 359 . 13 1 1 A 28 28 GLN C C 58 174.984 175.945 -0.961 1
1 360 . 13 1 1 A 28 28 GLN CA C 58 56.272 56.850 -0.578 1
1 361 . 13 1 1 A 28 28 GLN CB C 58 28.627 27.666 0.961 1
1 364 . 13 1 1 A 28 28 GLN N N 58 112.472 113.751 -1.279 1
1 366 . 13 1 1 A 29 29 PHE H H 59 7.361 7.689 -0.328 1
1 367 . 13 1 1 A 29 29 PHE HA H 59 4.622 4.732 -0.110 1
1 375 . 13 1 1 A 29 29 PHE C C 59 173.987 175.622 -1.635 1
1 376 . 13 1 1 A 29 29 PHE CA C 59 59.534 58.705 0.829 1
1 377 . 13 1 1 A 29 29 PHE CB C 59 38.939 40.350 -1.411 1
1 381 . 13 1 1 A 29 29 PHE N N 59 118.258 119.652 -1.394 1
1 382 . 13 1 1 A 30 30 GLU H H 60 9.228 9.578 -0.350 1
1 383 . 13 1 1 A 30 30 GLU HA H 60 4.479 4.856 -0.377 1
1 388 . 13 1 1 A 30 30 GLU C C 60 176.282 175.988 0.294 1
1 389 . 13 1 1 A 30 30 GLU CA C 60 57.063 57.549 -0.486 1
1 390 . 13 1 1 A 30 30 GLU CB C 60 33.512 33.030 0.482 1
1 392 . 13 1 1 A 30 30 GLU N N 60 125.247 124.581 0.666 1
1 393 . 13 1 1 A 31 31 LYS H H 61 7.998 7.758 0.240 1
1 394 . 13 1 1 A 31 31 LYS HA H 61 5.074 4.800 0.274 1
1 403 . 13 1 1 A 31 31 LYS C C 61 172.325 174.692 -2.367 1
1 404 . 13 1 1 A 31 31 LYS CA C 61 54.881 55.116 -0.235 1
1 405 . 13 1 1 A 31 31 LYS CB C 61 35.683 35.732 -0.049 1
1 409 . 13 1 1 A 31 31 LYS N N 61 113.709 116.116 -2.407 1
1 410 . 13 1 1 A 32 32 MET H H 62 9.051 9.030 0.021 1
1 411 . 13 1 1 A 32 32 MET HA H 62 5.630 5.500 0.130 1
1 419 . 13 1 1 A 32 32 MET C C 62 172.898 174.298 -1.400 1
1 420 . 13 1 1 A 32 32 MET CA C 62 53.043 53.323 -0.280 1
1 421 . 13 1 1 A 32 32 MET CB C 62 35.214 35.549 -0.335 1
1 424 . 13 1 1 A 32 32 MET N N 62 118.635 116.459 2.176 1
1 425 . 13 1 1 A 33 33 VAL H H 63 9.186 8.862 0.324 1
1 426 . 13 1 1 A 33 33 VAL HA H 63 4.700 4.914 -0.214 1
1 434 . 13 1 1 A 33 33 VAL C C 63 174.133 173.610 0.523 1
1 435 . 13 1 1 A 33 33 VAL CA C 63 61.351 59.943 1.408 1
1 436 . 13 1 1 A 33 33 VAL CB C 63 34.651 35.524 -0.873 1
1 439 . 13 1 1 A 33 33 VAL N N 63 122.441 118.899 3.542 1
1 440 . 13 1 1 A 34 34 ILE H H 64 9.244 9.094 0.150 1
1 441 . 13 1 1 A 34 34 ILE HA H 64 4.302 4.826 -0.524 1
1 451 . 13 1 1 A 34 34 ILE C C 64 174.924 174.578 0.346 1
1 452 . 13 1 1 A 34 34 ILE CA C 64 60.422 59.593 0.829 1
1 453 . 13 1 1 A 34 34 ILE CB C 64 41.255 40.333 0.922 1
1 457 . 13 1 1 A 34 34 ILE N N 64 127.876 128.485 -0.609 1
1 458 . 13 1 1 A 35 35 LEU H H 65 9.117 9.403 -0.286 1
1 459 . 13 1 1 A 35 35 LEU HA H 65 5.531 5.526 0.005 1
1 469 . 13 1 1 A 35 35 LEU C C 65 178.538 176.224 2.314 1
1 470 . 13 1 1 A 35 35 LEU CA C 65 53.047 53.193 -0.146 1
1 471 . 13 1 1 A 35 35 LEU CB C 65 43.797 44.588 -0.791 1
1 475 . 13 1 1 A 35 35 LEU N N 65 125.572 127.902 -2.330 1
1 476 . 13 1 1 A 36 36 THR H H 66 8.634 8.911 -0.277 1
1 477 . 13 1 1 A 36 36 THR HA H 66 5.212 5.346 -0.134 1
1 482 . 13 1 1 A 36 36 THR C C 66 174.918 174.162 0.756 1
1 483 . 13 1 1 A 36 36 THR CA C 66 59.374 59.603 -0.229 1
1 484 . 13 1 1 A 36 36 THR CB C 66 72.100 71.593 0.507 1
1 486 . 13 1 1 A 36 36 THR N N 66 112.840 114.901 -2.061 1
1 487 . 13 1 1 A 37 37 GLU H H 67 8.580 8.789 -0.209 1
1 488 . 13 1 1 A 37 37 GLU HA H 67 4.469 4.131 0.338 1
1 493 . 13 1 1 A 37 37 GLU C C 67 177.333 176.898 0.435 1
1 494 . 13 1 1 A 37 37 GLU CA C 67 57.348 56.428 0.920 1
1 495 . 13 1 1 A 37 37 GLU CB C 67 31.357 30.427 0.930 1
1 497 . 13 1 1 A 37 37 GLU N N 67 118.675 121.717 -3.042 1
1 498 . 13 1 1 A 38 38 ASN H H 68 8.580 9.217 -0.637 1
1 499 . 13 1 1 A 38 38 ASN HA H 68 3.768 4.643 -0.875 1
1 504 . 13 1 1 A 38 38 ASN C C 68 172.921 174.667 -1.746 1
1 505 . 13 1 1 A 38 38 ASN CA C 68 54.686 54.660 0.026 1
1 506 . 13 1 1 A 38 38 ASN CB C 68 36.511 37.144 -0.633 1
1 508 . 13 1 1 A 38 38 ASN N N 68 114.341 116.936 -2.595 1
1 510 . 13 1 1 A 39 39 LYS H H 69 7.891 8.689 -0.798 1
1 511 . 13 1 1 A 39 39 LYS HA H 69 3.936 3.895 0.041 1
1 520 . 13 1 1 A 39 39 LYS C C 69 177.032 176.193 0.839 1
1 521 . 13 1 1 A 39 39 LYS CA C 69 56.758 57.543 -0.785 1
1 522 . 13 1 1 A 39 39 LYS CB C 69 28.099 29.650 -1.551 1
1 526 . 13 1 1 A 39 39 LYS N N 69 107.932 109.851 -1.919 1
1 527 . 13 1 1 A 40 40 GLY H H 70 6.998 7.732 -0.734 1
1 528 . 13 1 1 A 40 40 GLY HA2 H 70 4.362 3.850 0.512 1
1 529 . 13 1 1 A 40 40 GLY HA3 H 70 3.875 4.041 -0.166 1
1 530 . 13 1 1 A 40 40 GLY C C 70 173.763 172.305 1.458 1
1 531 . 13 1 1 A 40 40 GLY CA C 70 46.628 45.717 0.911 1
1 532 . 13 1 1 A 40 40 GLY N N 70 107.011 107.419 -0.408 1
1 533 . 13 1 1 A 41 41 TYR H H 71 7.679 8.387 -0.708 1
1 534 . 13 1 1 A 41 41 TYR HA H 71 5.097 5.259 -0.162 1
1 541 . 13 1 1 A 41 41 TYR C C 71 174.452 172.795 1.657 1
1 542 . 13 1 1 A 41 41 TYR CA C 71 57.730 57.201 0.529 1
1 543 . 13 1 1 A 41 41 TYR CB C 71 40.474 42.134 -1.660 1
1 546 . 13 1 1 A 41 41 TYR N N 71 129.822 123.519 6.303 1
1 547 . 13 1 1 A 42 42 TYR H H 72 9.101 8.712 0.389 1
1 548 . 13 1 1 A 42 42 TYR HA H 72 4.875 5.074 -0.199 1
1 555 . 13 1 1 A 42 42 TYR C C 72 174.448 173.903 0.545 1
1 556 . 13 1 1 A 42 42 TYR CA C 72 56.114 56.275 -0.161 1
1 557 . 13 1 1 A 42 42 TYR CB C 72 41.115 41.388 -0.273 1
1 560 . 13 1 1 A 42 42 TYR N N 72 126.527 126.868 -0.341 1
1 561 . 13 1 1 A 43 43 THR H H 73 9.022 9.063 -0.041 1
1 562 . 13 1 1 A 43 43 THR HA H 73 4.876 4.944 -0.068 1
1 567 . 13 1 1 A 43 43 THR C C 73 174.791 173.276 1.515 1
1 568 . 13 1 1 A 43 43 THR CA C 73 62.821 60.389 2.432 1
1 569 . 13 1 1 A 43 43 THR CB C 73 68.769 70.954 -2.185 1
1 571 . 13 1 1 A 43 43 THR N N 73 120.810 118.973 1.837 1
1 572 . 13 1 1 A 44 44 VAL H H 74 9.233 8.967 0.266 1
1 573 . 13 1 1 A 44 44 VAL HA H 74 4.427 4.492 -0.065 1
1 581 . 13 1 1 A 44 44 VAL C C 74 175.094 174.551 0.543 1
1 582 . 13 1 1 A 44 44 VAL CA C 74 61.457 61.217 0.240 1
1 583 . 13 1 1 A 44 44 VAL CB C 74 35.669 34.953 0.716 1
1 586 . 13 1 1 A 44 44 VAL N N 74 129.156 126.971 2.185 1
1 587 . 13 1 1 A 45 45 TYR H H 75 9.384 8.793 0.591 1
1 588 . 13 1 1 A 45 45 TYR HA H 75 4.528 4.611 -0.083 1
1 595 . 13 1 1 A 45 45 TYR C C 75 176.497 176.007 0.490 1
1 596 . 13 1 1 A 45 45 TYR CA C 75 59.843 58.650 1.193 1
1 597 . 13 1 1 A 45 45 TYR CB C 75 38.245 39.175 -0.930 1
1 600 . 13 1 1 A 45 45 TYR N N 75 128.465 127.231 1.234 1
1 601 . 13 1 1 A 46 46 LEU H H 76 8.524 9.274 -0.750 1
1 602 . 13 1 1 A 46 46 LEU HA H 76 4.528 4.473 0.055 1
1 612 . 13 1 1 A 46 46 LEU C C 76 177.001 178.215 -1.214 1
1 613 . 13 1 1 A 46 46 LEU CA C 76 55.010 54.955 0.055 1
1 614 . 13 1 1 A 46 46 LEU CB C 76 42.094 42.470 -0.376 1
1 618 . 13 1 1 A 46 46 LEU N N 76 119.547 124.356 -4.809 1
1 619 . 13 1 1 A 47 47 ASN H H 77 8.599 7.851 0.748 1
1 620 . 13 1 1 A 47 47 ASN HA H 77 4.618 4.708 -0.090 1
1 625 . 13 1 1 A 47 47 ASN C C 77 173.844 174.935 -1.091 1
1 626 . 13 1 1 A 47 47 ASN CA C 77 54.045 54.817 -0.772 1
1 627 . 13 1 1 A 47 47 ASN CB C 77 37.058 38.204 -1.146 1
1 629 . 13 1 1 A 47 47 ASN N N 77 116.407 115.721 0.686 1
1 631 . 13 1 1 A 48 48 THR H H 78 7.429 7.607 -0.178 1
1 632 . 13 1 1 A 48 48 THR HA H 78 4.803 4.972 -0.169 1
1 637 . 13 1 1 A 48 48 THR C C 78 175.201 172.106 3.095 1
1 638 . 13 1 1 A 48 48 THR CA C 78 58.577 58.722 -0.145 1
1 639 . 13 1 1 A 48 48 THR CB C 78 70.494 70.550 -0.056 1
1 641 . 13 1 1 A 48 48 THR N N 78 111.551 110.893 0.658 1
1 642 . 13 1 1 A 49 49 PRO HA H 79 4.462 4.581 -0.119 1
1 649 . 13 1 1 A 49 49 PRO C C 79 176.670 177.039 -0.369 1
1 650 . 13 1 1 A 49 49 PRO CA C 79 62.384 62.612 -0.228 1
1 651 . 13 1 1 A 49 49 PRO CB C 79 32.205 32.087 0.118 1
1 654 . 13 1 1 A 50 50 LEU H H 80 9.049 8.348 0.701 1
1 655 . 13 1 1 A 50 50 LEU HA H 80 4.081 4.381 -0.300 1
1 665 . 13 1 1 A 50 50 LEU C C 80 176.758 176.471 0.287 1
1 666 . 13 1 1 A 50 50 LEU CA C 80 55.315 54.063 1.252 1
1 667 . 13 1 1 A 50 50 LEU CB C 80 41.915 42.719 -0.804 1
1 671 . 13 1 1 A 50 50 LEU N N 80 126.341 119.106 7.235 1
1 672 . 13 1 1 A 51 51 ALA H H 81 8.415 8.724 -0.309 1
1 673 . 13 1 1 A 51 51 ALA HA H 81 4.187 4.326 -0.139 1
1 677 . 13 1 1 A 51 51 ALA C C 81 179.005 178.626 0.379 1
1 678 . 13 1 1 A 51 51 ALA CA C 81 52.851 52.923 -0.072 1
1 679 . 13 1 1 A 51 51 ALA CB C 81 19.625 19.280 0.345 1
1 680 . 13 1 1 A 51 51 ALA N N 81 129.745 124.653 5.092 1
1 681 . 13 1 1 A 52 52 GLU H H 82 8.739 8.827 -0.088 1
1 682 . 13 1 1 A 52 52 GLU HA H 82 3.815 4.045 -0.230 1
1 687 . 13 1 1 A 52 52 GLU C C 82 178.591 178.088 0.503 1
1 688 . 13 1 1 A 52 52 GLU CA C 82 59.566 58.776 0.790 1
1 689 . 13 1 1 A 52 52 GLU CB C 82 29.774 29.134 0.640 1
1 691 . 13 1 1 A 52 52 GLU N N 82 121.424 123.452 -2.028 1
1 692 . 13 1 1 A 53 53 ASP H H 83 8.511 8.108 0.403 1
1 693 . 13 1 1 A 53 53 ASP HA H 83 4.427 4.471 -0.044 1
1 696 . 13 1 1 A 53 53 ASP C C 83 177.306 178.857 -1.551 1
1 697 . 13 1 1 A 53 53 ASP CA C 83 55.398 56.475 -1.077 1
1 698 . 13 1 1 A 53 53 ASP CB C 83 39.430 40.416 -0.986 1
1 699 . 13 1 1 A 53 53 ASP N N 83 114.043 120.232 -6.189 1
1 700 . 13 1 1 A 54 54 ARG H H 84 7.800 7.865 -0.065 1
1 701 . 13 1 1 A 54 54 ARG HA H 84 4.527 4.097 0.430 1
1 710 . 13 1 1 A 54 54 ARG C C 84 176.966 178.348 -1.382 1
1 711 . 13 1 1 A 54 54 ARG CA C 84 55.915 59.105 -3.190 1
1 712 . 13 1 1 A 54 54 ARG CB C 84 31.804 30.099 1.705 1
1 715 . 13 1 1 A 54 54 ARG N N 84 118.147 119.564 -1.417 1
1 718 . 13 1 1 A 55 55 LYS H H 85 7.335 7.989 -0.654 1
1 719 . 13 1 1 A 55 55 LYS HA H 85 3.551 4.143 -0.592 1
1 728 . 13 1 1 A 55 55 LYS C C 85 178.113 177.148 0.965 1
1 729 . 13 1 1 A 55 55 LYS CA C 85 59.887 58.398 1.489 1
1 730 . 13 1 1 A 55 55 LYS CB C 85 32.935 32.227 0.708 1
1 734 . 13 1 1 A 55 55 LYS N N 85 116.576 117.873 -1.297 1
1 735 . 13 1 1 A 56 56 ASN H H 86 8.347 7.699 0.648 1
1 736 . 13 1 1 A 56 56 ASN HA H 86 4.886 4.776 0.110 1
1 741 . 13 1 1 A 56 56 ASN C C 86 174.736 175.491 -0.755 1
1 742 . 13 1 1 A 56 56 ASN CA C 86 52.265 53.559 -1.294 1
1 743 . 13 1 1 A 56 56 ASN CB C 86 38.239 40.266 -2.027 1
1 745 . 13 1 1 A 56 56 ASN N N 86 114.341 116.023 -1.682 1
1 747 . 13 1 1 A 57 57 VAL H H 87 6.985 7.290 -0.305 1
1 748 . 13 1 1 A 57 57 VAL HA H 87 3.746 4.068 -0.322 1
1 756 . 13 1 1 A 57 57 VAL C C 87 175.380 175.968 -0.588 1
1 757 . 13 1 1 A 57 57 VAL CA C 87 63.723 62.604 1.119 1
1 758 . 13 1 1 A 57 57 VAL CB C 87 32.650 32.052 0.598 1
1 761 . 13 1 1 A 57 57 VAL N N 87 121.424 121.590 -0.166 1
1 762 . 13 1 1 A 58 58 GLU H H 88 8.777 8.552 0.225 1
1 763 . 13 1 1 A 58 58 GLU HA H 88 4.339 4.668 -0.329 1
1 768 . 13 1 1 A 58 58 GLU C C 88 176.364 176.891 -0.527 1
1 769 . 13 1 1 A 58 58 GLU CA C 88 56.085 56.416 -0.331 1
1 770 . 13 1 1 A 58 58 GLU CB C 88 29.861 30.338 -0.477 1
1 772 . 13 1 1 A 58 58 GLU N N 88 129.489 128.630 0.859 1
1 773 . 13 1 1 A 59 59 LEU H H 89 8.230 8.832 -0.602 1
1 774 . 13 1 1 A 59 59 LEU HA H 89 4.299 4.308 -0.009 1
1 784 . 13 1 1 A 59 59 LEU C C 89 178.976 178.627 0.349 1
1 785 . 13 1 1 A 59 59 LEU CA C 89 54.651 55.131 -0.480 1
1 786 . 13 1 1 A 59 59 LEU CB C 89 42.596 42.261 0.335 1
1 790 . 13 1 1 A 59 59 LEU N N 89 124.395 126.062 -1.667 1
1 791 . 13 1 1 A 60 60 LEU H H 90 7.777 9.201 -1.424 1
1 792 . 13 1 1 A 60 60 LEU HA H 90 4.135 4.231 -0.096 1
1 802 . 13 1 1 A 60 60 LEU C C 90 176.394 176.980 -0.586 1
1 803 . 13 1 1 A 60 60 LEU CA C 90 56.754 57.005 -0.251 1
1 804 . 13 1 1 A 60 60 LEU CB C 90 42.413 42.859 -0.446 1
1 808 . 13 1 1 A 60 60 LEU N N 90 119.734 123.533 -3.799 1
1 809 . 13 1 1 A 61 61 GLY H H 91 7.224 7.555 -0.331 1
1 810 . 13 1 1 A 61 61 GLY HA2 H 91 4.165 4.044 0.121 1
1 811 . 13 1 1 A 61 61 GLY HA3 H 91 3.899 4.064 -0.165 1
1 812 . 13 1 1 A 61 61 GLY C C 91 171.742 172.386 -0.644 1
1 813 . 13 1 1 A 61 61 GLY CA C 91 44.969 45.618 -0.649 1
1 814 . 13 1 1 A 61 61 GLY N N 91 103.707 104.409 -0.702 1
1 815 . 13 1 1 A 62 62 LYS H H 92 8.771 8.212 0.559 1
1 816 . 13 1 1 A 62 62 LYS HA H 92 4.150 4.383 -0.233 1
1 825 . 13 1 1 A 62 62 LYS C C 92 177.522 176.556 0.966 1
1 826 . 13 1 1 A 62 62 LYS CA C 92 56.750 56.134 0.616 1
1 827 . 13 1 1 A 62 62 LYS CB C 92 33.835 33.083 0.752 1
1 831 . 13 1 1 A 62 62 LYS N N 92 118.635 121.003 -2.368 1
1 832 . 13 1 1 A 63 63 MET H H 93 9.188 8.541 0.647 1
1 833 . 13 1 1 A 63 63 MET HA H 93 3.835 4.501 -0.666 1
1 841 . 13 1 1 A 63 63 MET C C 93 173.913 176.087 -2.174 1
1 842 . 13 1 1 A 63 63 MET CA C 93 59.275 56.167 3.108 1
1 843 . 13 1 1 A 63 63 MET CB C 93 31.483 33.383 -1.900 1
1 846 . 13 1 1 A 63 63 MET N N 93 123.413 124.564 -1.151 1
1 847 . 13 1 1 A 64 64 TYR H H 94 9.421 8.925 0.496 1
1 848 . 13 1 1 A 64 64 TYR HA H 94 4.767 4.409 0.358 1
1 855 . 13 1 1 A 64 64 TYR C C 94 173.918 174.809 -0.891 1
1 856 . 13 1 1 A 64 64 TYR CA C 94 56.933 60.258 -3.325 1
1 857 . 13 1 1 A 64 64 TYR CB C 94 40.020 40.300 -0.280 1
1 860 . 13 1 1 A 64 64 TYR N N 94 129.403 127.316 2.087 1
1 861 . 13 1 1 A 65 65 LYS H H 95 7.289 7.540 -0.251 1
1 862 . 13 1 1 A 65 65 LYS HA H 95 4.688 4.629 0.059 1
1 871 . 13 1 1 A 65 65 LYS C C 95 175.000 174.673 0.327 1
1 872 . 13 1 1 A 65 65 LYS CA C 95 55.841 54.723 1.118 1
1 873 . 13 1 1 A 65 65 LYS CB C 95 40.404 36.530 3.874 1
1 877 . 13 1 1 A 65 65 LYS N N 95 118.804 116.862 1.942 1
1 878 . 13 1 1 A 66 66 THR H H 96 8.727 8.124 0.603 1
1 879 . 13 1 1 A 66 66 THR HA H 96 5.149 5.212 -0.063 1
1 885 . 13 1 1 A 66 66 THR C C 96 172.120 172.914 -0.794 1
1 886 . 13 1 1 A 66 66 THR CA C 96 62.226 60.856 1.370 1
1 887 . 13 1 1 A 66 66 THR CB C 96 71.787 71.408 0.379 1
1 889 . 13 1 1 A 66 66 THR N N 96 116.235 115.533 0.702 1
1 890 . 13 1 1 A 67 67 TYR H H 97 8.969 8.986 -0.017 1
1 891 . 13 1 1 A 67 67 TYR HA H 97 5.027 5.036 -0.009 1
1 898 . 13 1 1 A 67 67 TYR C C 97 175.077 174.806 0.271 1
1 899 . 13 1 1 A 67 67 TYR CA C 97 57.278 56.396 0.882 1
1 900 . 13 1 1 A 67 67 TYR CB C 97 42.054 41.735 0.319 1
1 903 . 13 1 1 A 67 67 TYR N N 97 125.256 124.634 0.622 1
1 904 . 13 1 1 A 68 68 PHE H H 98 9.189 9.160 0.029 1
1 905 . 13 1 1 A 68 68 PHE HA H 98 5.177 5.049 0.128 1
1 913 . 13 1 1 A 68 68 PHE C C 98 174.791 175.073 -0.282 1
1 914 . 13 1 1 A 68 68 PHE CA C 98 57.825 56.414 1.411 1
1 915 . 13 1 1 A 68 68 PHE CB C 98 42.377 43.029 -0.652 1
1 919 . 13 1 1 A 68 68 PHE N N 98 118.574 121.192 -2.618 1
1 920 . 13 1 1 A 69 69 PHE H H 99 8.976 9.540 -0.564 1
1 921 . 13 1 1 A 69 69 PHE HA H 99 4.893 5.416 -0.523 1
1 929 . 13 1 1 A 69 69 PHE C C 99 176.386 175.578 0.808 1
1 930 . 13 1 1 A 69 69 PHE CA C 99 56.777 56.363 0.414 1
1 931 . 13 1 1 A 69 69 PHE CB C 99 41.371 42.621 -1.250 1
1 935 . 13 1 1 A 69 69 PHE N N 99 119.573 121.081 -1.508 1
1 936 . 13 1 1 A 70 70 LYS H H 100 9.479 8.647 0.832 1
1 937 . 13 1 1 A 70 70 LYS HA H 100 4.533 4.223 0.310 1
1 946 . 13 1 1 A 70 70 LYS C C 100 176.156 176.940 -0.784 1
1 947 . 13 1 1 A 70 70 LYS CA C 100 56.706 56.414 0.292 1
1 948 . 13 1 1 A 70 70 LYS CB C 100 33.667 33.102 0.565 1
1 952 . 13 1 1 A 70 70 LYS N N 100 125.614 122.994 2.620 1
1 953 . 13 1 1 A 71 71 LYS H H 101 8.068 8.939 -0.871 1
1 954 . 13 1 1 A 71 71 LYS HA H 101 4.188 3.858 0.330 1
1 963 . 13 1 1 A 71 71 LYS C C 101 177.655 177.516 0.139 1
1 964 . 13 1 1 A 71 71 LYS CA C 101 58.238 58.766 -0.528 1
1 965 . 13 1 1 A 71 71 LYS CB C 101 32.342 32.161 0.181 1
1 969 . 13 1 1 A 71 71 LYS N N 101 121.057 121.726 -0.669 1
1 970 . 13 1 1 A 72 72 GLY H H 102 8.899 9.127 -0.228 1
1 971 . 13 1 1 A 72 72 GLY HA2 H 102 4.196 3.950 0.246 1
1 972 . 13 1 1 A 72 72 GLY HA3 H 102 3.815 3.959 -0.144 1
1 973 . 13 1 1 A 72 72 GLY C C 102 173.997 173.514 0.483 1
1 974 . 13 1 1 A 72 72 GLY CA C 102 45.802 45.177 0.625 1
1 975 . 13 1 1 A 72 72 GLY N N 102 114.112 112.556 1.556 1
1 976 . 13 1 1 A 73 73 GLU H H 103 8.047 8.118 -0.071 1
1 977 . 13 1 1 A 73 73 GLU HA H 103 4.764 4.745 0.019 1
1 982 . 13 1 1 A 73 73 GLU C C 103 175.975 176.434 -0.459 1
1 983 . 13 1 1 A 73 73 GLU CA C 103 56.295 55.541 0.754 1
1 984 . 13 1 1 A 73 73 GLU CB C 103 31.153 31.518 -0.365 1
1 986 . 13 1 1 A 73 73 GLU N N 103 119.538 121.794 -2.256 1
1 987 . 13 1 1 A 74 74 SER H H 104 8.742 9.062 -0.320 1
1 988 . 13 1 1 A 74 74 SER HA H 104 4.598 4.680 -0.082 1
1 991 . 13 1 1 A 74 74 SER C C 104 171.916 173.273 -1.357 1
1 992 . 13 1 1 A 74 74 SER CA C 104 58.363 57.666 0.697 1
1 993 . 13 1 1 A 74 74 SER CB C 104 64.025 64.221 -0.196 1
1 994 . 13 1 1 A 74 74 SER N N 104 115.383 121.560 -6.177 1
1 995 . 13 1 1 A 75 75 LYS H H 105 7.608 7.560 0.048 1
1 996 . 13 1 1 A 75 75 LYS HA H 105 5.588 5.086 0.502 1
1 1005 . 13 1 1 A 75 75 LYS C C 105 176.017 174.973 1.044 1
1 1006 . 13 1 1 A 75 75 LYS CA C 105 54.548 55.251 -0.703 1
1 1007 . 13 1 1 A 75 75 LYS CB C 105 35.211 35.977 -0.766 1
1 1011 . 13 1 1 A 75 75 LYS N N 105 121.040 122.467 -1.427 1
1 1012 . 13 1 1 A 76 76 SER H H 106 8.231 8.922 -0.691 1
1 1013 . 13 1 1 A 76 76 SER HA H 106 3.377 4.209 -0.832 1
1 1016 . 13 1 1 A 76 76 SER C C 106 172.571 174.985 -2.414 1
1 1017 . 13 1 1 A 76 76 SER CA C 106 59.650 58.514 1.136 1
1 1018 . 13 1 1 A 76 76 SER CB C 106 64.857 62.423 2.434 1
1 1019 . 13 1 1 A 76 76 SER N N 106 121.783 120.113 1.670 1
1 1020 . 13 1 1 A 77 77 SER H H 107 8.333 8.761 -0.428 1
1 1021 . 13 1 1 A 77 77 SER HA H 107 5.025 4.377 0.648 1
1 1024 . 13 1 1 A 77 77 SER C C 107 174.507 173.291 1.216 1
1 1025 . 13 1 1 A 77 77 SER CA C 107 57.561 60.244 -2.683 1
1 1026 . 13 1 1 A 77 77 SER CB C 107 65.330 63.415 1.915 1
1 1027 . 13 1 1 A 77 77 SER N N 107 106.276 120.125 -13.849 1
1 1028 . 13 1 1 A 78 78 TYR H H 108 7.825 7.684 0.141 1
1 1029 . 13 1 1 A 78 78 TYR HA H 108 4.754 4.853 -0.099 1
1 1036 . 13 1 1 A 78 78 TYR C C 108 171.725 173.667 -1.942 1
1 1037 . 13 1 1 A 78 78 TYR CA C 108 57.778 56.851 0.927 1
1 1038 . 13 1 1 A 78 78 TYR CB C 108 43.223 41.852 1.371 1
1 1041 . 13 1 1 A 78 78 TYR N N 108 126.289 119.783 6.506 1
1 1042 . 13 1 1 A 79 79 VAL H H 109 7.760 8.458 -0.698 1
1 1043 . 13 1 1 A 79 79 VAL HA H 109 5.215 4.904 0.311 1
1 1051 . 13 1 1 A 79 79 VAL C C 109 172.526 174.192 -1.666 1
1 1052 . 13 1 1 A 79 79 VAL CA C 109 59.193 59.530 -0.337 1
1 1053 . 13 1 1 A 79 79 VAL CB C 109 36.173 36.036 0.137 1
1 1056 . 13 1 1 A 79 79 VAL N N 109 127.825 121.060 6.765 1
1 1057 . 13 1 1 A 80 80 ILE H H 110 8.616 8.417 0.199 1
1 1058 . 13 1 1 A 80 80 ILE HA H 110 4.011 4.522 -0.511 1
1 1068 . 13 1 1 A 80 80 ILE C C 110 174.690 174.176 0.514 1
1 1069 . 13 1 1 A 80 80 ILE CA C 110 60.922 59.861 1.061 1
1 1070 . 13 1 1 A 80 80 ILE CB C 110 42.047 41.855 0.192 1
1 1074 . 13 1 1 A 80 80 ILE N N 110 124.001 121.980 2.021 1
1 1075 . 13 1 1 A 81 81 ASN H H 111 8.937 8.668 0.269 1
1 1076 . 13 1 1 A 81 81 ASN HA H 111 4.760 5.455 -0.695 1
1 1081 . 13 1 1 A 81 81 ASN C C 111 175.326 175.456 -0.130 1
1 1082 . 13 1 1 A 81 81 ASN CA C 111 53.600 51.222 2.378 1
1 1083 . 13 1 1 A 81 81 ASN CB C 111 40.412 41.260 -0.848 1
1 1085 . 13 1 1 A 81 81 ASN N N 111 126.229 123.936 2.293 1
1 1087 . 13 1 1 A 82 82 GLY H H 112 7.984 8.662 -0.678 1
1 1088 . 13 1 1 A 82 82 GLY HA2 H 112 4.457 4.202 0.255 1
1 1089 . 13 1 1 A 82 82 GLY HA3 H 112 3.847 4.210 -0.363 1
1 1090 . 13 1 1 A 82 82 GLY C C 112 171.875 174.030 -2.155 1
1 1091 . 13 1 1 A 82 82 GLY CA C 112 43.303 44.575 -1.272 1
1 1092 . 13 1 1 A 82 82 GLY N N 112 110.894 108.516 2.378 1
1 1093 . 13 1 1 A 83 83 PRO HA H 113 4.609 4.552 0.057 1
1 1100 . 13 1 1 A 83 83 PRO C C 113 178.327 176.525 1.802 1
1 1101 . 13 1 1 A 83 83 PRO CA C 113 63.342 63.395 -0.053 1
1 1102 . 13 1 1 A 83 83 PRO CB C 113 32.232 30.627 1.605 1
1 1105 . 13 1 1 A 84 84 GLY H H 114 8.939 8.280 0.659 1
1 1106 . 13 1 1 A 84 84 GLY HA2 H 114 4.055 3.920 0.135 1
1 1107 . 13 1 1 A 84 84 GLY HA3 H 114 3.192 3.996 -0.804 1
1 1108 . 13 1 1 A 84 84 GLY C C 114 172.587 175.396 -2.809 1
1 1109 . 13 1 1 A 84 84 GLY CA C 114 44.667 45.971 -1.304 1
1 1110 . 13 1 1 A 84 84 GLY N N 114 109.324 109.614 -0.290 1
1 1111 . 13 1 1 A 85 85 LYS H H 115 9.550 8.349 1.201 1
1 1112 . 13 1 1 A 85 85 LYS HA H 115 4.527 4.001 0.526 1
1 1121 . 13 1 1 A 85 85 LYS C C 115 175.690 174.381 1.309 1
1 1122 . 13 1 1 A 85 85 LYS CA C 115 56.251 57.809 -1.558 1
1 1123 . 13 1 1 A 85 85 LYS CB C 115 34.217 32.213 2.004 1
1 1127 . 13 1 1 A 85 85 LYS N N 115 119.240 119.609 -0.369 1
1 1128 . 13 1 1 A 86 86 THR H H 116 7.327 7.508 -0.181 1
1 1129 . 13 1 1 A 86 86 THR HA H 116 3.572 3.812 -0.240 1
1 1134 . 13 1 1 A 86 86 THR C C 116 170.519 172.448 -1.929 1
1 1135 . 13 1 1 A 86 86 THR CA C 116 59.094 60.223 -1.129 1
1 1136 . 13 1 1 A 86 86 THR CB C 116 68.191 69.224 -1.033 1
1 1138 . 13 1 1 A 86 86 THR N N 116 113.403 111.366 2.037 1
1 1139 . 13 1 1 A 87 87 ASN H H 117 8.035 8.555 -0.520 1
1 1140 . 13 1 1 A 87 87 ASN HA H 117 4.914 5.003 -0.089 1
1 1145 . 13 1 1 A 87 87 ASN C C 117 175.798 175.562 0.236 1
1 1146 . 13 1 1 A 87 87 ASN CA C 117 52.062 54.408 -2.346 1
1 1147 . 13 1 1 A 87 87 ASN CB C 117 40.563 39.367 1.196 1
1 1149 . 13 1 1 A 87 87 ASN N N 117 118.907 122.259 -3.352 1
1 1151 . 13 1 1 A 88 88 GLU H H 118 8.362 7.867 0.495 1
1 1152 . 13 1 1 A 88 88 GLU HA H 118 4.116 4.586 -0.470 1
1 1157 . 13 1 1 A 88 88 GLU C C 118 175.935 176.183 -0.248 1
1 1158 . 13 1 1 A 88 88 GLU CA C 118 55.589 55.042 0.547 1
1 1159 . 13 1 1 A 88 88 GLU CB C 118 29.435 27.856 1.579 1
1 1161 . 13 1 1 A 88 88 GLU N N 118 119.547 118.134 1.413 1
1 1162 . 13 1 1 A 89 89 TYR H H 119 7.918 8.231 -0.313 1
1 1163 . 13 1 1 A 89 89 TYR HA H 119 4.639 4.449 0.190 1
1 1170 . 13 1 1 A 89 89 TYR C C 119 175.750 175.401 0.349 1
1 1171 . 13 1 1 A 89 89 TYR CA C 119 59.270 58.687 0.583 1
1 1172 . 13 1 1 A 89 89 TYR CB C 119 38.274 36.388 1.886 1
1 1175 . 13 1 1 A 89 89 TYR N N 119 118.293 120.051 -1.758 1
1 1176 . 13 1 1 A 90 90 ALA H H 120 8.285 7.628 0.657 1
1 1177 . 13 1 1 A 90 90 ALA HA H 120 4.273 4.335 -0.062 1
1 1181 . 13 1 1 A 90 90 ALA C C 120 175.773 176.877 -1.104 1
1 1182 . 13 1 1 A 90 90 ALA CA C 120 52.014 50.758 1.256 1
1 1183 . 13 1 1 A 90 90 ALA CB C 120 19.920 17.117 2.803 1
1 1184 . 13 1 1 A 90 90 ALA N N 120 126.212 121.956 4.256 1
1 11 . 14 1 1 A 2 2 SER HA H 32 4.469 4.712 -0.243 1
1 14 . 14 1 1 A 2 2 SER C C 32 174.865 173.334 1.531 1
1 15 . 14 1 1 A 2 2 SER CA C 32 58.680 58.045 0.635 1
1 16 . 14 1 1 A 2 2 SER CB C 32 63.805 65.057 -1.252 1
1 17 . 14 1 1 A 3 3 GLY H H 33 8.513 7.661 0.852 1
1 18 . 14 1 1 A 3 3 GLY HA2 H 33 3.972 4.305 -0.333 1
1 19 . 14 1 1 A 3 3 GLY HA3 H 33 3.972 4.310 -0.338 1
1 20 . 14 1 1 A 3 3 GLY C C 33 173.735 172.272 1.463 1
1 21 . 14 1 1 A 3 3 GLY CA C 33 45.132 45.083 0.049 1
1 22 . 14 1 1 A 3 3 GLY N N 33 110.526 107.690 2.836 1
1 23 . 14 1 1 A 4 4 LEU H H 34 8.145 8.871 -0.726 1
1 24 . 14 1 1 A 4 4 LEU HA H 34 4.599 4.894 -0.295 1
1 34 . 14 1 1 A 4 4 LEU C C 34 175.201 175.156 0.045 1
1 35 . 14 1 1 A 4 4 LEU CA C 34 53.002 51.817 1.185 1
1 36 . 14 1 1 A 4 4 LEU CB C 34 41.772 45.483 -3.711 1
1 40 . 14 1 1 A 4 4 LEU N N 34 122.423 127.672 -5.249 1
1 41 . 14 1 1 A 5 5 PRO HA H 35 4.551 4.794 -0.243 1
1 48 . 14 1 1 A 5 5 PRO C C 35 176.487 176.326 0.161 1
1 49 . 14 1 1 A 5 5 PRO CA C 35 62.771 62.421 0.350 1
1 50 . 14 1 1 A 5 5 PRO CB C 35 32.488 33.319 -0.831 1
1 53 . 14 1 1 A 6 6 THR H H 36 8.447 8.623 -0.176 1
1 54 . 14 1 1 A 6 6 THR HA H 36 4.445 4.517 -0.072 1
1 59 . 14 1 1 A 6 6 THR C C 36 174.231 173.890 0.341 1
1 60 . 14 1 1 A 6 6 THR CA C 36 61.727 62.350 -0.623 1
1 61 . 14 1 1 A 6 6 THR CB C 36 69.213 72.363 -3.150 1
1 63 . 14 1 1 A 6 6 THR N N 36 111.916 114.631 -2.715 1
1 64 . 14 1 1 A 7 7 THR H H 37 7.303 7.510 -0.207 1
1 65 . 14 1 1 A 7 7 THR HA H 37 5.232 4.977 0.255 1
1 70 . 14 1 1 A 7 7 THR C C 37 175.848 174.506 1.342 1
1 71 . 14 1 1 A 7 7 THR CA C 37 58.599 59.768 -1.169 1
1 72 . 14 1 1 A 7 7 THR CB C 37 71.971 72.270 -0.299 1
1 74 . 14 1 1 A 7 7 THR N N 37 110.288 110.704 -0.416 1
1 75 . 14 1 1 A 8 8 LEU H H 38 9.065 8.581 0.484 1
1 76 . 14 1 1 A 8 8 LEU HA H 38 3.829 3.965 -0.136 1
1 86 . 14 1 1 A 8 8 LEU C C 38 177.964 178.903 -0.939 1
1 87 . 14 1 1 A 8 8 LEU CA C 38 57.613 57.953 -0.340 1
1 88 . 14 1 1 A 8 8 LEU CB C 38 41.058 41.395 -0.337 1
1 92 . 14 1 1 A 8 8 LEU N N 38 122.441 125.071 -2.630 1
1 93 . 14 1 1 A 9 9 GLY H H 39 8.753 7.934 0.819 1
1 94 . 14 1 1 A 9 9 GLY HA2 H 39 3.969 3.822 0.147 1
1 95 . 14 1 1 A 9 9 GLY HA3 H 39 3.769 3.824 -0.055 1
1 96 . 14 1 1 A 9 9 GLY C C 39 176.615 176.381 0.234 1
1 97 . 14 1 1 A 9 9 GLY CA C 39 47.314 47.073 0.241 1
1 98 . 14 1 1 A 9 9 GLY N N 39 104.356 107.029 -2.673 1
1 99 . 14 1 1 A 10 10 LYS H H 40 7.341 7.687 -0.346 1
1 100 . 14 1 1 A 10 10 LYS HA H 40 4.241 4.000 0.241 1
1 109 . 14 1 1 A 10 10 LYS C C 40 179.292 179.351 -0.059 1
1 110 . 14 1 1 A 10 10 LYS CA C 40 58.108 59.325 -1.217 1
1 111 . 14 1 1 A 10 10 LYS CB C 40 32.346 32.060 0.286 1
1 115 . 14 1 1 A 10 10 LYS N N 40 120.741 122.425 -1.684 1
1 116 . 14 1 1 A 11 11 LEU H H 41 8.033 7.569 0.464 1
1 117 . 14 1 1 A 11 11 LEU HA H 41 4.059 4.089 -0.030 1
1 127 . 14 1 1 A 11 11 LEU C C 41 177.253 177.989 -0.736 1
1 128 . 14 1 1 A 11 11 LEU CA C 41 57.978 57.742 0.236 1
1 129 . 14 1 1 A 11 11 LEU CB C 41 41.760 41.903 -0.143 1
1 133 . 14 1 1 A 11 11 LEU N N 41 121.501 121.334 0.167 1
1 134 . 14 1 1 A 12 12 ASP H H 42 9.025 8.363 0.662 1
1 135 . 14 1 1 A 12 12 ASP HA H 42 4.045 4.316 -0.271 1
1 138 . 14 1 1 A 12 12 ASP C C 42 176.536 178.668 -2.132 1
1 139 . 14 1 1 A 12 12 ASP CA C 42 58.740 57.956 0.784 1
1 140 . 14 1 1 A 12 12 ASP CB C 42 44.783 42.407 2.376 1
1 141 . 14 1 1 A 12 12 ASP N N 42 119.776 119.181 0.595 1
1 142 . 14 1 1 A 13 13 GLU H H 43 7.253 8.086 -0.833 1
1 143 . 14 1 1 A 13 13 GLU HA H 43 3.869 4.073 -0.204 1
1 148 . 14 1 1 A 13 13 GLU C C 43 178.916 178.914 0.002 1
1 149 . 14 1 1 A 13 13 GLU CA C 43 59.511 59.234 0.277 1
1 150 . 14 1 1 A 13 13 GLU CB C 43 30.131 29.206 0.925 1
1 152 . 14 1 1 A 13 13 GLU N N 43 116.304 119.076 -2.772 1
1 153 . 14 1 1 A 14 14 ARG H H 44 7.234 7.574 -0.340 1
1 154 . 14 1 1 A 14 14 ARG HA H 44 3.920 4.054 -0.134 1
1 163 . 14 1 1 A 14 14 ARG C C 44 177.609 178.992 -1.383 1
1 164 . 14 1 1 A 14 14 ARG CA C 44 58.607 58.995 -0.388 1
1 165 . 14 1 1 A 14 14 ARG CB C 44 30.304 29.921 0.383 1
1 168 . 14 1 1 A 14 14 ARG N N 44 118.267 119.826 -1.559 1
1 171 . 14 1 1 A 15 15 LEU H H 45 8.734 8.640 0.094 1
1 172 . 14 1 1 A 15 15 LEU HA H 45 3.809 4.416 -0.607 1
1 182 . 14 1 1 A 15 15 LEU C C 45 179.204 179.427 -0.223 1
1 183 . 14 1 1 A 15 15 LEU CA C 45 58.248 57.880 0.368 1
1 184 . 14 1 1 A 15 15 LEU CB C 45 42.076 41.508 0.568 1
1 188 . 14 1 1 A 15 15 LEU N N 45 117.856 119.697 -1.841 1
1 189 . 14 1 1 A 16 16 ARG H H 46 8.280 8.542 -0.262 1
1 190 . 14 1 1 A 16 16 ARG HA H 46 3.863 4.150 -0.287 1
1 200 . 14 1 1 A 16 16 ARG C C 46 179.432 179.237 0.195 1
1 201 . 14 1 1 A 16 16 ARG CA C 46 60.779 59.088 1.691 1
1 202 . 14 1 1 A 16 16 ARG CB C 46 29.824 29.577 0.247 1
1 205 . 14 1 1 A 16 16 ARG N N 46 115.954 119.631 -3.677 1
1 209 . 14 1 1 A 17 17 ASN H H 47 7.433 7.829 -0.396 1
1 210 . 14 1 1 A 17 17 ASN HA H 47 4.458 4.402 0.056 1
1 215 . 14 1 1 A 17 17 ASN C C 47 177.657 177.815 -0.158 1
1 216 . 14 1 1 A 17 17 ASN CA C 47 56.297 56.213 0.084 1
1 217 . 14 1 1 A 17 17 ASN CB C 47 38.540 38.465 0.075 1
1 219 . 14 1 1 A 17 17 ASN N N 47 118.514 117.797 0.717 1
1 221 . 14 1 1 A 18 18 TYR H H 48 8.945 8.456 0.489 1
1 222 . 14 1 1 A 18 18 TYR HA H 48 4.184 4.336 -0.152 1
1 229 . 14 1 1 A 18 18 TYR C C 48 177.806 178.247 -0.441 1
1 230 . 14 1 1 A 18 18 TYR CA C 48 58.651 60.651 -2.000 1
1 231 . 14 1 1 A 18 18 TYR CB C 48 36.527 38.072 -1.545 1
1 234 . 14 1 1 A 18 18 TYR N N 48 121.714 119.275 2.439 1
1 235 . 14 1 1 A 19 19 LEU H H 49 8.293 7.948 0.345 1
1 236 . 14 1 1 A 19 19 LEU HA H 49 3.410 3.375 0.035 1
1 246 . 14 1 1 A 19 19 LEU C C 49 179.153 179.203 -0.050 1
1 247 . 14 1 1 A 19 19 LEU CA C 49 57.822 57.605 0.217 1
1 248 . 14 1 1 A 19 19 LEU CB C 49 41.929 40.931 0.998 1
1 252 . 14 1 1 A 19 19 LEU N N 49 119.284 120.102 -0.818 1
1 253 . 14 1 1 A 20 20 LYS H H 50 7.322 8.071 -0.749 1
1 254 . 14 1 1 A 20 20 LYS HA H 50 3.893 3.874 0.019 1
1 263 . 14 1 1 A 20 20 LYS C C 50 177.980 179.562 -1.582 1
1 264 . 14 1 1 A 20 20 LYS CA C 50 59.104 60.019 -0.915 1
1 265 . 14 1 1 A 20 20 LYS CB C 50 32.348 32.110 0.238 1
1 269 . 14 1 1 A 20 20 LYS N N 50 117.005 117.845 -0.840 1
1 270 . 14 1 1 A 21 21 LYS H H 51 7.435 8.204 -0.769 1
1 271 . 14 1 1 A 21 21 LYS HA H 51 4.080 4.021 0.059 1
1 280 . 14 1 1 A 21 21 LYS C C 51 178.971 178.242 0.729 1
1 281 . 14 1 1 A 21 21 LYS CA C 51 57.418 58.904 -1.486 1
1 282 . 14 1 1 A 21 21 LYS CB C 51 32.675 32.339 0.336 1
1 286 . 14 1 1 A 21 21 LYS N N 51 115.946 119.245 -3.299 1
1 287 . 14 1 1 A 22 22 GLY H H 52 8.290 7.703 0.587 1
1 288 . 14 1 1 A 22 22 GLY HA2 H 52 3.897 4.082 -0.185 1
1 289 . 14 1 1 A 22 22 GLY HA3 H 52 4.181 4.093 0.088 1
1 290 . 14 1 1 A 22 22 GLY C C 52 173.610 174.060 -0.450 1
1 291 . 14 1 1 A 22 22 GLY CA C 52 45.088 45.891 -0.803 1
1 292 . 14 1 1 A 22 22 GLY N N 52 105.432 107.923 -2.491 1
1 293 . 14 1 1 A 23 23 THR H H 53 7.148 7.911 -0.763 1
1 294 . 14 1 1 A 23 23 THR HA H 53 4.838 4.297 0.541 1
1 300 . 14 1 1 A 23 23 THR C C 53 174.444 175.580 -1.136 1
1 301 . 14 1 1 A 23 23 THR CA C 53 59.766 61.248 -1.482 1
1 302 . 14 1 1 A 23 23 THR CB C 53 72.471 71.056 1.415 1
1 304 . 14 1 1 A 23 23 THR N N 53 107.608 112.150 -4.542 1
1 305 . 14 1 1 A 24 24 LYS H H 54 8.414 8.595 -0.181 1
1 306 . 14 1 1 A 24 24 LYS HA H 54 4.355 4.167 0.188 1
1 315 . 14 1 1 A 24 24 LYS C C 54 177.632 176.768 0.864 1
1 316 . 14 1 1 A 24 24 LYS CA C 54 57.393 58.067 -0.674 1
1 317 . 14 1 1 A 24 24 LYS CB C 54 32.806 32.899 -0.093 1
1 321 . 14 1 1 A 24 24 LYS N N 54 118.924 121.046 -2.122 1
1 322 . 14 1 1 A 25 25 ASN H H 55 7.823 7.902 -0.079 1
1 323 . 14 1 1 A 25 25 ASN HA H 55 4.992 4.963 0.029 1
1 328 . 14 1 1 A 25 25 ASN C C 55 174.882 175.245 -0.363 1
1 329 . 14 1 1 A 25 25 ASN CA C 55 51.540 52.776 -1.236 1
1 330 . 14 1 1 A 25 25 ASN CB C 55 38.209 40.490 -2.281 1
1 332 . 14 1 1 A 25 25 ASN N N 55 116.576 115.698 0.878 1
1 334 . 14 1 1 A 26 26 SER H H 56 8.557 9.165 -0.608 1
1 335 . 14 1 1 A 26 26 SER HA H 56 4.145 4.399 -0.254 1
1 338 . 14 1 1 A 26 26 SER C C 56 176.886 175.227 1.659 1
1 339 . 14 1 1 A 26 26 SER CA C 56 61.051 61.421 -0.370 1
1 340 . 14 1 1 A 26 26 SER CB C 56 62.398 63.124 -0.726 1
1 341 . 14 1 1 A 26 26 SER N N 56 118.968 121.023 -2.055 1
1 342 . 14 1 1 A 27 27 ALA H H 57 8.133 7.801 0.332 1
1 343 . 14 1 1 A 27 27 ALA HA H 57 4.277 4.250 0.027 1
1 347 . 14 1 1 A 27 27 ALA C C 57 177.779 178.124 -0.345 1
1 348 . 14 1 1 A 27 27 ALA CA C 57 54.020 53.421 0.599 1
1 349 . 14 1 1 A 27 27 ALA CB C 57 18.258 18.076 0.182 1
1 350 . 14 1 1 A 27 27 ALA N N 57 125.334 123.526 1.808 1
1 351 . 14 1 1 A 28 28 GLN H H 58 7.113 8.284 -1.171 1
1 352 . 14 1 1 A 28 28 GLN HA H 58 4.262 4.318 -0.056 1
1 359 . 14 1 1 A 28 28 GLN C C 58 174.984 175.841 -0.857 1
1 360 . 14 1 1 A 28 28 GLN CA C 58 56.272 55.942 0.330 1
1 361 . 14 1 1 A 28 28 GLN CB C 58 28.627 28.921 -0.294 1
1 364 . 14 1 1 A 28 28 GLN N N 58 112.472 115.171 -2.699 1
1 366 . 14 1 1 A 29 29 PHE H H 59 7.361 7.560 -0.199 1
1 367 . 14 1 1 A 29 29 PHE HA H 59 4.622 4.788 -0.166 1
1 375 . 14 1 1 A 29 29 PHE C C 59 173.987 176.018 -2.031 1
1 376 . 14 1 1 A 29 29 PHE CA C 59 59.534 58.922 0.612 1
1 377 . 14 1 1 A 29 29 PHE CB C 59 38.939 39.859 -0.920 1
1 381 . 14 1 1 A 29 29 PHE N N 59 118.258 119.779 -1.521 1
1 382 . 14 1 1 A 30 30 GLU H H 60 9.228 9.259 -0.031 1
1 383 . 14 1 1 A 30 30 GLU HA H 60 4.479 4.737 -0.258 1
1 388 . 14 1 1 A 30 30 GLU C C 60 176.282 176.137 0.145 1
1 389 . 14 1 1 A 30 30 GLU CA C 60 57.063 56.707 0.356 1
1 390 . 14 1 1 A 30 30 GLU CB C 60 33.512 31.960 1.552 1
1 392 . 14 1 1 A 30 30 GLU N N 60 125.247 118.838 6.409 1
1 393 . 14 1 1 A 31 31 LYS H H 61 7.998 7.983 0.015 1
1 394 . 14 1 1 A 31 31 LYS HA H 61 5.074 4.740 0.334 1
1 403 . 14 1 1 A 31 31 LYS C C 61 172.325 174.283 -1.958 1
1 404 . 14 1 1 A 31 31 LYS CA C 61 54.881 55.078 -0.197 1
1 405 . 14 1 1 A 31 31 LYS CB C 61 35.683 35.019 0.664 1
1 409 . 14 1 1 A 31 31 LYS N N 61 113.709 116.848 -3.139 1
1 410 . 14 1 1 A 32 32 MET H H 62 9.051 9.258 -0.207 1
1 411 . 14 1 1 A 32 32 MET HA H 62 5.630 5.450 0.180 1
1 419 . 14 1 1 A 32 32 MET C C 62 172.898 174.070 -1.172 1
1 420 . 14 1 1 A 32 32 MET CA C 62 53.043 53.277 -0.234 1
1 421 . 14 1 1 A 32 32 MET CB C 62 35.214 35.597 -0.383 1
1 424 . 14 1 1 A 32 32 MET N N 62 118.635 119.425 -0.790 1
1 425 . 14 1 1 A 33 33 VAL H H 63 9.186 8.984 0.202 1
1 426 . 14 1 1 A 33 33 VAL HA H 63 4.700 5.112 -0.412 1
1 434 . 14 1 1 A 33 33 VAL C C 63 174.133 173.902 0.231 1
1 435 . 14 1 1 A 33 33 VAL CA C 63 61.351 60.133 1.218 1
1 436 . 14 1 1 A 33 33 VAL CB C 63 34.651 34.790 -0.139 1
1 439 . 14 1 1 A 33 33 VAL N N 63 122.441 119.100 3.341 1
1 440 . 14 1 1 A 34 34 ILE H H 64 9.244 9.133 0.111 1
1 441 . 14 1 1 A 34 34 ILE HA H 64 4.302 4.726 -0.424 1
1 451 . 14 1 1 A 34 34 ILE C C 64 174.924 174.986 -0.062 1
1 452 . 14 1 1 A 34 34 ILE CA C 64 60.422 59.592 0.830 1
1 453 . 14 1 1 A 34 34 ILE CB C 64 41.255 39.658 1.597 1
1 457 . 14 1 1 A 34 34 ILE N N 64 127.876 129.440 -1.564 1
1 458 . 14 1 1 A 35 35 LEU H H 65 9.117 9.213 -0.096 1
1 459 . 14 1 1 A 35 35 LEU HA H 65 5.531 5.585 -0.054 1
1 469 . 14 1 1 A 35 35 LEU C C 65 178.538 176.281 2.257 1
1 470 . 14 1 1 A 35 35 LEU CA C 65 53.047 53.085 -0.038 1
1 471 . 14 1 1 A 35 35 LEU CB C 65 43.797 43.915 -0.118 1
1 475 . 14 1 1 A 35 35 LEU N N 65 125.572 126.971 -1.399 1
1 476 . 14 1 1 A 36 36 THR H H 66 8.634 8.934 -0.300 1
1 477 . 14 1 1 A 36 36 THR HA H 66 5.212 5.277 -0.065 1
1 482 . 14 1 1 A 36 36 THR C C 66 174.918 174.411 0.507 1
1 483 . 14 1 1 A 36 36 THR CA C 66 59.374 59.453 -0.079 1
1 484 . 14 1 1 A 36 36 THR CB C 66 72.100 71.433 0.667 1
1 486 . 14 1 1 A 36 36 THR N N 66 112.840 115.078 -2.238 1
1 487 . 14 1 1 A 37 37 GLU H H 67 8.580 8.532 0.048 1
1 488 . 14 1 1 A 37 37 GLU HA H 67 4.469 4.151 0.318 1
1 493 . 14 1 1 A 37 37 GLU C C 67 177.333 176.961 0.372 1
1 494 . 14 1 1 A 37 37 GLU CA C 67 57.348 56.291 1.057 1
1 495 . 14 1 1 A 37 37 GLU CB C 67 31.357 30.660 0.697 1
1 497 . 14 1 1 A 37 37 GLU N N 67 118.675 121.628 -2.953 1
1 498 . 14 1 1 A 38 38 ASN H H 68 8.580 9.414 -0.834 1
1 499 . 14 1 1 A 38 38 ASN HA H 68 3.768 4.497 -0.729 1
1 504 . 14 1 1 A 38 38 ASN C C 68 172.921 174.633 -1.712 1
1 505 . 14 1 1 A 38 38 ASN CA C 68 54.686 54.609 0.077 1
1 506 . 14 1 1 A 38 38 ASN CB C 68 36.511 37.069 -0.558 1
1 508 . 14 1 1 A 38 38 ASN N N 68 114.341 116.836 -2.495 1
1 510 . 14 1 1 A 39 39 LYS H H 69 7.891 8.779 -0.888 1
1 511 . 14 1 1 A 39 39 LYS HA H 69 3.936 3.860 0.076 1
1 520 . 14 1 1 A 39 39 LYS C C 69 177.032 176.261 0.771 1
1 521 . 14 1 1 A 39 39 LYS CA C 69 56.758 57.578 -0.820 1
1 522 . 14 1 1 A 39 39 LYS CB C 69 28.099 29.540 -1.441 1
1 526 . 14 1 1 A 39 39 LYS N N 69 107.932 109.792 -1.860 1
1 527 . 14 1 1 A 40 40 GLY H H 70 6.998 7.704 -0.706 1
1 528 . 14 1 1 A 40 40 GLY HA2 H 70 4.362 3.986 0.376 1
1 529 . 14 1 1 A 40 40 GLY HA3 H 70 3.875 4.141 -0.266 1
1 530 . 14 1 1 A 40 40 GLY C C 70 173.763 172.380 1.383 1
1 531 . 14 1 1 A 40 40 GLY CA C 70 46.628 45.648 0.980 1
1 532 . 14 1 1 A 40 40 GLY N N 70 107.011 107.404 -0.393 1
1 533 . 14 1 1 A 41 41 TYR H H 71 7.679 8.626 -0.947 1
1 534 . 14 1 1 A 41 41 TYR HA H 71 5.097 5.450 -0.353 1
1 541 . 14 1 1 A 41 41 TYR C C 71 174.452 172.868 1.584 1
1 542 . 14 1 1 A 41 41 TYR CA C 71 57.730 57.175 0.555 1
1 543 . 14 1 1 A 41 41 TYR CB C 71 40.474 42.005 -1.531 1
1 546 . 14 1 1 A 41 41 TYR N N 71 129.822 122.966 6.856 1
1 547 . 14 1 1 A 42 42 TYR H H 72 9.101 8.634 0.467 1
1 548 . 14 1 1 A 42 42 TYR HA H 72 4.875 5.073 -0.198 1
1 555 . 14 1 1 A 42 42 TYR C C 72 174.448 173.927 0.521 1
1 556 . 14 1 1 A 42 42 TYR CA C 72 56.114 56.411 -0.297 1
1 557 . 14 1 1 A 42 42 TYR CB C 72 41.115 41.974 -0.859 1
1 560 . 14 1 1 A 42 42 TYR N N 72 126.527 126.429 0.098 1
1 561 . 14 1 1 A 43 43 THR H H 73 9.022 9.230 -0.208 1
1 562 . 14 1 1 A 43 43 THR HA H 73 4.876 5.370 -0.494 1
1 567 . 14 1 1 A 43 43 THR C C 73 174.791 173.141 1.650 1
1 568 . 14 1 1 A 43 43 THR CA C 73 62.821 59.694 3.127 1
1 569 . 14 1 1 A 43 43 THR CB C 73 68.769 71.557 -2.788 1
1 571 . 14 1 1 A 43 43 THR N N 73 120.810 118.803 2.007 1
1 572 . 14 1 1 A 44 44 VAL H H 74 9.233 8.974 0.259 1
1 573 . 14 1 1 A 44 44 VAL HA H 74 4.427 4.585 -0.158 1
1 581 . 14 1 1 A 44 44 VAL C C 74 175.094 174.901 0.193 1
1 582 . 14 1 1 A 44 44 VAL CA C 74 61.457 61.127 0.330 1
1 583 . 14 1 1 A 44 44 VAL CB C 74 35.669 35.225 0.444 1
1 586 . 14 1 1 A 44 44 VAL N N 74 129.156 127.327 1.829 1
1 587 . 14 1 1 A 45 45 TYR H H 75 9.384 8.907 0.477 1
1 588 . 14 1 1 A 45 45 TYR HA H 75 4.528 4.588 -0.060 1
1 595 . 14 1 1 A 45 45 TYR C C 75 176.497 175.994 0.503 1
1 596 . 14 1 1 A 45 45 TYR CA C 75 59.843 59.361 0.482 1
1 597 . 14 1 1 A 45 45 TYR CB C 75 38.245 39.069 -0.824 1
1 600 . 14 1 1 A 45 45 TYR N N 75 128.465 127.097 1.368 1
1 601 . 14 1 1 A 46 46 LEU H H 76 8.524 9.214 -0.690 1
1 602 . 14 1 1 A 46 46 LEU HA H 76 4.528 4.584 -0.056 1
1 612 . 14 1 1 A 46 46 LEU C C 76 177.001 177.955 -0.954 1
1 613 . 14 1 1 A 46 46 LEU CA C 76 55.010 54.708 0.302 1
1 614 . 14 1 1 A 46 46 LEU CB C 76 42.094 42.545 -0.451 1
1 618 . 14 1 1 A 46 46 LEU N N 76 119.547 124.201 -4.654 1
1 619 . 14 1 1 A 47 47 ASN H H 77 8.599 7.679 0.920 1
1 620 . 14 1 1 A 47 47 ASN HA H 77 4.618 4.713 -0.095 1
1 625 . 14 1 1 A 47 47 ASN C C 77 173.844 175.085 -1.241 1
1 626 . 14 1 1 A 47 47 ASN CA C 77 54.045 54.478 -0.433 1
1 627 . 14 1 1 A 47 47 ASN CB C 77 37.058 38.383 -1.325 1
1 629 . 14 1 1 A 47 47 ASN N N 77 116.407 116.276 0.131 1
1 631 . 14 1 1 A 48 48 THR H H 78 7.429 7.542 -0.113 1
1 632 . 14 1 1 A 48 48 THR HA H 78 4.803 4.999 -0.196 1
1 637 . 14 1 1 A 48 48 THR C C 78 175.201 172.087 3.114 1
1 638 . 14 1 1 A 48 48 THR CA C 78 58.577 58.725 -0.148 1
1 639 . 14 1 1 A 48 48 THR CB C 78 70.494 70.648 -0.154 1
1 641 . 14 1 1 A 48 48 THR N N 78 111.551 110.827 0.724 1
1 642 . 14 1 1 A 49 49 PRO HA H 79 4.462 4.570 -0.108 1
1 649 . 14 1 1 A 49 49 PRO C C 79 176.670 177.140 -0.470 1
1 650 . 14 1 1 A 49 49 PRO CA C 79 62.384 62.767 -0.383 1
1 651 . 14 1 1 A 49 49 PRO CB C 79 32.205 31.963 0.242 1
1 654 . 14 1 1 A 50 50 LEU H H 80 9.049 8.342 0.707 1
1 655 . 14 1 1 A 50 50 LEU HA H 80 4.081 4.419 -0.338 1
1 665 . 14 1 1 A 50 50 LEU C C 80 176.758 176.694 0.064 1
1 666 . 14 1 1 A 50 50 LEU CA C 80 55.315 53.745 1.570 1
1 667 . 14 1 1 A 50 50 LEU CB C 80 41.915 42.876 -0.961 1
1 671 . 14 1 1 A 50 50 LEU N N 80 126.341 119.233 7.108 1
1 672 . 14 1 1 A 51 51 ALA H H 81 8.415 9.059 -0.644 1
1 673 . 14 1 1 A 51 51 ALA HA H 81 4.187 4.363 -0.176 1
1 677 . 14 1 1 A 51 51 ALA C C 81 179.005 178.785 0.220 1
1 678 . 14 1 1 A 51 51 ALA CA C 81 52.851 52.290 0.561 1
1 679 . 14 1 1 A 51 51 ALA CB C 81 19.625 19.445 0.180 1
1 680 . 14 1 1 A 51 51 ALA N N 81 129.745 123.401 6.344 1
1 681 . 14 1 1 A 52 52 GLU H H 82 8.739 8.885 -0.146 1
1 682 . 14 1 1 A 52 52 GLU HA H 82 3.815 4.050 -0.235 1
1 687 . 14 1 1 A 52 52 GLU C C 82 178.591 178.263 0.328 1
1 688 . 14 1 1 A 52 52 GLU CA C 82 59.566 59.215 0.351 1
1 689 . 14 1 1 A 52 52 GLU CB C 82 29.774 29.160 0.614 1
1 691 . 14 1 1 A 52 52 GLU N N 82 121.424 121.022 0.402 1
1 692 . 14 1 1 A 53 53 ASP H H 83 8.511 8.248 0.263 1
1 693 . 14 1 1 A 53 53 ASP HA H 83 4.427 4.416 0.011 1
1 696 . 14 1 1 A 53 53 ASP C C 83 177.306 178.970 -1.664 1
1 697 . 14 1 1 A 53 53 ASP CA C 83 55.398 56.572 -1.174 1
1 698 . 14 1 1 A 53 53 ASP CB C 83 39.430 40.242 -0.812 1
1 699 . 14 1 1 A 53 53 ASP N N 83 114.043 120.325 -6.282 1
1 700 . 14 1 1 A 54 54 ARG H H 84 7.800 7.703 0.097 1
1 701 . 14 1 1 A 54 54 ARG HA H 84 4.527 4.194 0.333 1
1 710 . 14 1 1 A 54 54 ARG C C 84 176.966 179.152 -2.186 1
1 711 . 14 1 1 A 54 54 ARG CA C 84 55.915 58.739 -2.824 1
1 712 . 14 1 1 A 54 54 ARG CB C 84 31.804 29.917 1.887 1
1 715 . 14 1 1 A 54 54 ARG N N 84 118.147 120.511 -2.364 1
1 718 . 14 1 1 A 55 55 LYS H H 85 7.335 8.042 -0.707 1
1 719 . 14 1 1 A 55 55 LYS HA H 85 3.551 4.110 -0.559 1
1 728 . 14 1 1 A 55 55 LYS C C 85 178.113 177.269 0.844 1
1 729 . 14 1 1 A 55 55 LYS CA C 85 59.887 58.555 1.332 1
1 730 . 14 1 1 A 55 55 LYS CB C 85 32.935 32.337 0.598 1
1 734 . 14 1 1 A 55 55 LYS N N 85 116.576 119.322 -2.746 1
1 735 . 14 1 1 A 56 56 ASN H H 86 8.347 7.604 0.743 1
1 736 . 14 1 1 A 56 56 ASN HA H 86 4.886 5.033 -0.147 1
1 741 . 14 1 1 A 56 56 ASN C C 86 174.736 174.691 0.045 1
1 742 . 14 1 1 A 56 56 ASN CA C 86 52.265 52.879 -0.614 1
1 743 . 14 1 1 A 56 56 ASN CB C 86 38.239 40.090 -1.851 1
1 745 . 14 1 1 A 56 56 ASN N N 86 114.341 115.485 -1.144 1
1 747 . 14 1 1 A 57 57 VAL H H 87 6.985 7.111 -0.126 1
1 748 . 14 1 1 A 57 57 VAL HA H 87 3.746 4.096 -0.350 1
1 756 . 14 1 1 A 57 57 VAL C C 87 175.380 176.212 -0.832 1
1 757 . 14 1 1 A 57 57 VAL CA C 87 63.723 62.291 1.432 1
1 758 . 14 1 1 A 57 57 VAL CB C 87 32.650 33.046 -0.396 1
1 761 . 14 1 1 A 57 57 VAL N N 87 121.424 121.147 0.277 1
1 762 . 14 1 1 A 58 58 GLU H H 88 8.777 8.616 0.161 1
1 763 . 14 1 1 A 58 58 GLU HA H 88 4.339 4.648 -0.309 1
1 768 . 14 1 1 A 58 58 GLU C C 88 176.364 176.306 0.058 1
1 769 . 14 1 1 A 58 58 GLU CA C 88 56.085 57.048 -0.963 1
1 770 . 14 1 1 A 58 58 GLU CB C 88 29.861 30.536 -0.675 1
1 772 . 14 1 1 A 58 58 GLU N N 88 129.489 127.052 2.437 1
1 773 . 14 1 1 A 59 59 LEU H H 89 8.230 8.838 -0.608 1
1 774 . 14 1 1 A 59 59 LEU HA H 89 4.299 4.875 -0.576 1
1 784 . 14 1 1 A 59 59 LEU C C 89 178.976 176.512 2.464 1
1 785 . 14 1 1 A 59 59 LEU CA C 89 54.651 53.727 0.924 1
1 786 . 14 1 1 A 59 59 LEU CB C 89 42.596 42.396 0.200 1
1 790 . 14 1 1 A 59 59 LEU N N 89 124.395 124.092 0.303 1
1 791 . 14 1 1 A 60 60 LEU H H 90 7.777 9.281 -1.504 1
1 792 . 14 1 1 A 60 60 LEU HA H 90 4.135 4.185 -0.050 1
1 802 . 14 1 1 A 60 60 LEU C C 90 176.394 177.238 -0.844 1
1 803 . 14 1 1 A 60 60 LEU CA C 90 56.754 57.167 -0.413 1
1 804 . 14 1 1 A 60 60 LEU CB C 90 42.413 42.686 -0.273 1
1 808 . 14 1 1 A 60 60 LEU N N 90 119.734 126.359 -6.625 1
1 809 . 14 1 1 A 61 61 GLY H H 91 7.224 7.661 -0.437 1
1 810 . 14 1 1 A 61 61 GLY HA2 H 91 4.165 4.047 0.118 1
1 811 . 14 1 1 A 61 61 GLY HA3 H 91 3.899 4.066 -0.167 1
1 812 . 14 1 1 A 61 61 GLY C C 91 171.742 172.558 -0.816 1
1 813 . 14 1 1 A 61 61 GLY CA C 91 44.969 45.291 -0.322 1
1 814 . 14 1 1 A 61 61 GLY N N 91 103.707 104.301 -0.594 1
1 815 . 14 1 1 A 62 62 LYS H H 92 8.771 8.673 0.098 1
1 816 . 14 1 1 A 62 62 LYS HA H 92 4.150 4.324 -0.174 1
1 825 . 14 1 1 A 62 62 LYS C C 92 177.522 175.891 1.631 1
1 826 . 14 1 1 A 62 62 LYS CA C 92 56.750 56.559 0.191 1
1 827 . 14 1 1 A 62 62 LYS CB C 92 33.835 33.328 0.507 1
1 831 . 14 1 1 A 62 62 LYS N N 92 118.635 121.079 -2.444 1
1 832 . 14 1 1 A 63 63 MET H H 93 9.188 8.428 0.760 1
1 833 . 14 1 1 A 63 63 MET HA H 93 3.835 4.516 -0.681 1
1 841 . 14 1 1 A 63 63 MET C C 93 173.913 175.687 -1.774 1
1 842 . 14 1 1 A 63 63 MET CA C 93 59.275 53.964 5.311 1
1 843 . 14 1 1 A 63 63 MET CB C 93 31.483 31.188 0.295 1
1 846 . 14 1 1 A 63 63 MET N N 93 123.413 124.699 -1.286 1
1 847 . 14 1 1 A 64 64 TYR H H 94 9.421 8.502 0.919 1
1 848 . 14 1 1 A 64 64 TYR HA H 94 4.767 4.214 0.553 1
1 855 . 14 1 1 A 64 64 TYR C C 94 173.918 174.962 -1.044 1
1 856 . 14 1 1 A 64 64 TYR CA C 94 56.933 61.338 -4.405 1
1 857 . 14 1 1 A 64 64 TYR CB C 94 40.020 39.031 0.989 1
1 860 . 14 1 1 A 64 64 TYR N N 94 129.403 126.206 3.197 1
1 861 . 14 1 1 A 65 65 LYS H H 95 7.289 7.317 -0.028 1
1 862 . 14 1 1 A 65 65 LYS HA H 95 4.688 4.510 0.178 1
1 871 . 14 1 1 A 65 65 LYS C C 95 175.000 173.907 1.093 1
1 872 . 14 1 1 A 65 65 LYS CA C 95 55.841 55.411 0.430 1
1 873 . 14 1 1 A 65 65 LYS CB C 95 40.404 35.687 4.717 1
1 877 . 14 1 1 A 65 65 LYS N N 95 118.804 118.165 0.639 1
1 878 . 14 1 1 A 66 66 THR H H 96 8.727 7.853 0.874 1
1 879 . 14 1 1 A 66 66 THR HA H 96 5.149 5.182 -0.033 1
1 885 . 14 1 1 A 66 66 THR C C 96 172.120 172.421 -0.301 1
1 886 . 14 1 1 A 66 66 THR CA C 96 62.226 60.285 1.941 1
1 887 . 14 1 1 A 66 66 THR CB C 96 71.787 71.852 -0.065 1
1 889 . 14 1 1 A 66 66 THR N N 96 116.235 118.718 -2.483 1
1 890 . 14 1 1 A 67 67 TYR H H 97 8.969 8.841 0.128 1
1 891 . 14 1 1 A 67 67 TYR HA H 97 5.027 5.234 -0.207 1
1 898 . 14 1 1 A 67 67 TYR C C 97 175.077 174.656 0.421 1
1 899 . 14 1 1 A 67 67 TYR CA C 97 57.278 56.658 0.620 1
1 900 . 14 1 1 A 67 67 TYR CB C 97 42.054 42.586 -0.532 1
1 903 . 14 1 1 A 67 67 TYR N N 97 125.256 123.697 1.559 1
1 904 . 14 1 1 A 68 68 PHE H H 98 9.189 9.185 0.004 1
1 905 . 14 1 1 A 68 68 PHE HA H 98 5.177 5.152 0.025 1
1 913 . 14 1 1 A 68 68 PHE C C 98 174.791 174.810 -0.019 1
1 914 . 14 1 1 A 68 68 PHE CA C 98 57.825 56.704 1.121 1
1 915 . 14 1 1 A 68 68 PHE CB C 98 42.377 43.376 -0.999 1
1 919 . 14 1 1 A 68 68 PHE N N 98 118.574 120.099 -1.525 1
1 920 . 14 1 1 A 69 69 PHE H H 99 8.976 9.429 -0.453 1
1 921 . 14 1 1 A 69 69 PHE HA H 99 4.893 5.125 -0.232 1
1 929 . 14 1 1 A 69 69 PHE C C 99 176.386 175.709 0.677 1
1 930 . 14 1 1 A 69 69 PHE CA C 99 56.777 56.368 0.409 1
1 931 . 14 1 1 A 69 69 PHE CB C 99 41.371 42.297 -0.926 1
1 935 . 14 1 1 A 69 69 PHE N N 99 119.573 121.323 -1.750 1
1 936 . 14 1 1 A 70 70 LYS H H 100 9.479 8.561 0.918 1
1 937 . 14 1 1 A 70 70 LYS HA H 100 4.533 4.225 0.308 1
1 946 . 14 1 1 A 70 70 LYS C C 100 176.156 176.404 -0.248 1
1 947 . 14 1 1 A 70 70 LYS CA C 100 56.706 56.572 0.134 1
1 948 . 14 1 1 A 70 70 LYS CB C 100 33.667 32.707 0.960 1
1 952 . 14 1 1 A 70 70 LYS N N 100 125.614 122.951 2.663 1
1 953 . 14 1 1 A 71 71 LYS H H 101 8.068 8.713 -0.645 1
1 954 . 14 1 1 A 71 71 LYS HA H 101 4.188 4.366 -0.178 1
1 963 . 14 1 1 A 71 71 LYS C C 101 177.655 176.992 0.663 1
1 964 . 14 1 1 A 71 71 LYS CA C 101 58.238 57.145 1.093 1
1 965 . 14 1 1 A 71 71 LYS CB C 101 32.342 32.033 0.309 1
1 969 . 14 1 1 A 71 71 LYS N N 101 121.057 121.584 -0.527 1
1 970 . 14 1 1 A 72 72 GLY H H 102 8.899 9.244 -0.345 1
1 971 . 14 1 1 A 72 72 GLY HA2 H 102 4.196 4.037 0.159 1
1 972 . 14 1 1 A 72 72 GLY HA3 H 102 3.815 4.053 -0.238 1
1 973 . 14 1 1 A 72 72 GLY C C 102 173.997 174.959 -0.962 1
1 974 . 14 1 1 A 72 72 GLY CA C 102 45.802 45.038 0.764 1
1 975 . 14 1 1 A 72 72 GLY N N 102 114.112 113.093 1.019 1
1 976 . 14 1 1 A 73 73 GLU H H 103 8.047 8.114 -0.067 1
1 977 . 14 1 1 A 73 73 GLU HA H 103 4.764 4.554 0.210 1
1 982 . 14 1 1 A 73 73 GLU C C 103 175.975 176.824 -0.849 1
1 983 . 14 1 1 A 73 73 GLU CA C 103 56.295 56.086 0.209 1
1 984 . 14 1 1 A 73 73 GLU CB C 103 31.153 31.383 -0.230 1
1 986 . 14 1 1 A 73 73 GLU N N 103 119.538 121.032 -1.494 1
1 987 . 14 1 1 A 74 74 SER H H 104 8.742 8.766 -0.024 1
1 988 . 14 1 1 A 74 74 SER HA H 104 4.598 4.811 -0.213 1
1 991 . 14 1 1 A 74 74 SER C C 104 171.916 173.877 -1.961 1
1 992 . 14 1 1 A 74 74 SER CA C 104 58.363 57.223 1.140 1
1 993 . 14 1 1 A 74 74 SER CB C 104 64.025 64.197 -0.172 1
1 994 . 14 1 1 A 74 74 SER N N 104 115.383 113.720 1.663 1
1 995 . 14 1 1 A 75 75 LYS H H 105 7.608 7.522 0.086 1
1 996 . 14 1 1 A 75 75 LYS HA H 105 5.588 5.182 0.406 1
1 1005 . 14 1 1 A 75 75 LYS C C 105 176.017 174.665 1.352 1
1 1006 . 14 1 1 A 75 75 LYS CA C 105 54.548 55.552 -1.004 1
1 1007 . 14 1 1 A 75 75 LYS CB C 105 35.211 36.264 -1.053 1
1 1011 . 14 1 1 A 75 75 LYS N N 105 121.040 123.197 -2.157 1
1 1012 . 14 1 1 A 76 76 SER H H 106 8.231 8.845 -0.614 1
1 1013 . 14 1 1 A 76 76 SER HA H 106 3.377 3.992 -0.615 1
1 1016 . 14 1 1 A 76 76 SER C C 106 172.571 174.220 -1.649 1
1 1017 . 14 1 1 A 76 76 SER CA C 106 59.650 57.365 2.285 1
1 1018 . 14 1 1 A 76 76 SER CB C 106 64.857 64.444 0.413 1
1 1019 . 14 1 1 A 76 76 SER N N 106 121.783 117.964 3.819 1
1 1020 . 14 1 1 A 77 77 SER H H 107 8.333 9.366 -1.033 1
1 1021 . 14 1 1 A 77 77 SER HA H 107 5.025 4.665 0.360 1
1 1024 . 14 1 1 A 77 77 SER C C 107 174.507 173.533 0.974 1
1 1025 . 14 1 1 A 77 77 SER CA C 107 57.561 58.582 -1.021 1
1 1026 . 14 1 1 A 77 77 SER CB C 107 65.330 65.638 -0.308 1
1 1027 . 14 1 1 A 77 77 SER N N 107 106.276 116.688 -10.412 1
1 1028 . 14 1 1 A 78 78 TYR H H 108 7.825 7.492 0.333 1
1 1029 . 14 1 1 A 78 78 TYR HA H 108 4.754 4.832 -0.078 1
1 1036 . 14 1 1 A 78 78 TYR C C 108 171.725 173.923 -2.198 1
1 1037 . 14 1 1 A 78 78 TYR CA C 108 57.778 56.858 0.920 1
1 1038 . 14 1 1 A 78 78 TYR CB C 108 43.223 41.716 1.507 1
1 1041 . 14 1 1 A 78 78 TYR N N 108 126.289 120.051 6.238 1
1 1042 . 14 1 1 A 79 79 VAL H H 109 7.760 8.092 -0.332 1
1 1043 . 14 1 1 A 79 79 VAL HA H 109 5.215 4.937 0.278 1
1 1051 . 14 1 1 A 79 79 VAL C C 109 172.526 173.149 -0.623 1
1 1052 . 14 1 1 A 79 79 VAL CA C 109 59.193 60.258 -1.065 1
1 1053 . 14 1 1 A 79 79 VAL CB C 109 36.173 35.388 0.785 1
1 1056 . 14 1 1 A 79 79 VAL N N 109 127.825 125.083 2.742 1
1 1057 . 14 1 1 A 80 80 ILE H H 110 8.616 8.334 0.282 1
1 1058 . 14 1 1 A 80 80 ILE HA H 110 4.011 4.411 -0.400 1
1 1068 . 14 1 1 A 80 80 ILE C C 110 174.690 175.105 -0.415 1
1 1069 . 14 1 1 A 80 80 ILE CA C 110 60.922 60.354 0.568 1
1 1070 . 14 1 1 A 80 80 ILE CB C 110 42.047 40.806 1.241 1
1 1074 . 14 1 1 A 80 80 ILE N N 110 124.001 126.246 -2.245 1
1 1075 . 14 1 1 A 81 81 ASN H H 111 8.937 8.582 0.355 1
1 1076 . 14 1 1 A 81 81 ASN HA H 111 4.760 4.666 0.094 1
1 1081 . 14 1 1 A 81 81 ASN C C 111 175.326 175.333 -0.007 1
1 1082 . 14 1 1 A 81 81 ASN CA C 111 53.600 53.087 0.513 1
1 1083 . 14 1 1 A 81 81 ASN CB C 111 40.412 39.507 0.905 1
1 1085 . 14 1 1 A 81 81 ASN N N 111 126.229 126.206 0.023 1
1 1087 . 14 1 1 A 82 82 GLY H H 112 7.984 8.379 -0.395 1
1 1088 . 14 1 1 A 82 82 GLY HA2 H 112 4.457 4.180 0.277 1
1 1089 . 14 1 1 A 82 82 GLY HA3 H 112 3.847 4.215 -0.368 1
1 1090 . 14 1 1 A 82 82 GLY C C 112 171.875 172.544 -0.669 1
1 1091 . 14 1 1 A 82 82 GLY CA C 112 43.303 45.271 -1.968 1
1 1092 . 14 1 1 A 82 82 GLY N N 112 110.894 108.937 1.957 1
1 1093 . 14 1 1 A 83 83 PRO HA H 113 4.609 4.825 -0.216 1
1 1100 . 14 1 1 A 83 83 PRO C C 113 178.327 177.451 0.876 1
1 1101 . 14 1 1 A 83 83 PRO CA C 113 63.342 62.868 0.474 1
1 1102 . 14 1 1 A 83 83 PRO CB C 113 32.232 31.745 0.487 1
1 1105 . 14 1 1 A 84 84 GLY H H 114 8.939 8.693 0.246 1
1 1106 . 14 1 1 A 84 84 GLY HA2 H 114 4.055 4.043 0.012 1
1 1107 . 14 1 1 A 84 84 GLY HA3 H 114 3.192 4.121 -0.929 1
1 1108 . 14 1 1 A 84 84 GLY C C 114 172.587 175.050 -2.463 1
1 1109 . 14 1 1 A 84 84 GLY CA C 114 44.667 45.464 -0.797 1
1 1110 . 14 1 1 A 84 84 GLY N N 114 109.324 111.196 -1.872 1
1 1111 . 14 1 1 A 85 85 LYS H H 115 9.550 8.369 1.181 1
1 1112 . 14 1 1 A 85 85 LYS HA H 115 4.527 4.141 0.386 1
1 1121 . 14 1 1 A 85 85 LYS C C 115 175.690 174.528 1.162 1
1 1122 . 14 1 1 A 85 85 LYS CA C 115 56.251 57.942 -1.691 1
1 1123 . 14 1 1 A 85 85 LYS CB C 115 34.217 32.353 1.864 1
1 1127 . 14 1 1 A 85 85 LYS N N 115 119.240 119.995 -0.755 1
1 1128 . 14 1 1 A 86 86 THR H H 116 7.327 7.492 -0.165 1
1 1129 . 14 1 1 A 86 86 THR HA H 116 3.572 3.908 -0.336 1
1 1134 . 14 1 1 A 86 86 THR C C 116 170.519 172.631 -2.112 1
1 1135 . 14 1 1 A 86 86 THR CA C 116 59.094 60.054 -0.960 1
1 1136 . 14 1 1 A 86 86 THR CB C 116 68.191 69.551 -1.360 1
1 1138 . 14 1 1 A 86 86 THR N N 116 113.403 111.941 1.462 1
1 1139 . 14 1 1 A 87 87 ASN H H 117 8.035 8.973 -0.938 1
1 1140 . 14 1 1 A 87 87 ASN HA H 117 4.914 4.671 0.243 1
1 1145 . 14 1 1 A 87 87 ASN C C 117 175.798 177.415 -1.617 1
1 1146 . 14 1 1 A 87 87 ASN CA C 117 52.062 55.508 -3.446 1
1 1147 . 14 1 1 A 87 87 ASN CB C 117 40.563 38.657 1.906 1
1 1149 . 14 1 1 A 87 87 ASN N N 117 118.907 123.360 -4.453 1
1 1151 . 14 1 1 A 88 88 GLU H H 118 8.362 7.524 0.838 1
1 1152 . 14 1 1 A 88 88 GLU HA H 118 4.116 4.235 -0.119 1
1 1157 . 14 1 1 A 88 88 GLU C C 118 175.935 176.102 -0.167 1
1 1158 . 14 1 1 A 88 88 GLU CA C 118 55.589 57.344 -1.755 1
1 1159 . 14 1 1 A 88 88 GLU CB C 118 29.435 29.345 0.090 1
1 1161 . 14 1 1 A 88 88 GLU N N 118 119.547 115.475 4.072 1
1 1162 . 14 1 1 A 89 89 TYR H H 119 7.918 8.005 -0.087 1
1 1163 . 14 1 1 A 89 89 TYR HA H 119 4.639 4.716 -0.077 1
1 1170 . 14 1 1 A 89 89 TYR C C 119 175.750 175.266 0.484 1
1 1171 . 14 1 1 A 89 89 TYR CA C 119 59.270 58.279 0.991 1
1 1172 . 14 1 1 A 89 89 TYR CB C 119 38.274 40.333 -2.059 1
1 1175 . 14 1 1 A 89 89 TYR N N 119 118.293 119.094 -0.801 1
1 1176 . 14 1 1 A 90 90 ALA H H 120 8.285 8.711 -0.426 1
1 1177 . 14 1 1 A 90 90 ALA HA H 120 4.273 4.350 -0.077 1
1 1181 . 14 1 1 A 90 90 ALA C C 120 175.773 175.955 -0.182 1
1 1182 . 14 1 1 A 90 90 ALA CA C 120 52.014 51.909 0.105 1
1 1183 . 14 1 1 A 90 90 ALA CB C 120 19.920 18.418 1.502 1
1 1184 . 14 1 1 A 90 90 ALA N N 120 126.212 130.315 -4.103 1
1 11 . 15 1 1 A 2 2 SER HA H 32 4.469 4.919 -0.450 1
1 14 . 15 1 1 A 2 2 SER C C 32 174.865 173.149 1.716 1
1 15 . 15 1 1 A 2 2 SER CA C 32 58.680 57.139 1.541 1
1 16 . 15 1 1 A 2 2 SER CB C 32 63.805 65.770 -1.965 1
1 17 . 15 1 1 A 3 3 GLY H H 33 8.513 8.408 0.105 1
1 18 . 15 1 1 A 3 3 GLY HA2 H 33 3.972 4.132 -0.160 1
1 19 . 15 1 1 A 3 3 GLY HA3 H 33 3.972 4.133 -0.161 1
1 20 . 15 1 1 A 3 3 GLY C C 33 173.735 171.831 1.904 1
1 21 . 15 1 1 A 3 3 GLY CA C 33 45.132 45.668 -0.536 1
1 22 . 15 1 1 A 3 3 GLY N N 33 110.526 107.012 3.514 1
1 23 . 15 1 1 A 4 4 LEU H H 34 8.145 8.719 -0.574 1
1 24 . 15 1 1 A 4 4 LEU HA H 34 4.599 4.617 -0.018 1
1 34 . 15 1 1 A 4 4 LEU C C 34 175.201 174.836 0.365 1
1 35 . 15 1 1 A 4 4 LEU CA C 34 53.002 52.958 0.044 1
1 36 . 15 1 1 A 4 4 LEU CB C 34 41.772 41.169 0.603 1
1 40 . 15 1 1 A 4 4 LEU N N 34 122.423 122.472 -0.049 1
1 41 . 15 1 1 A 5 5 PRO HA H 35 4.551 4.460 0.091 1
1 48 . 15 1 1 A 5 5 PRO C C 35 176.487 176.065 0.422 1
1 49 . 15 1 1 A 5 5 PRO CA C 35 62.771 62.998 -0.227 1
1 50 . 15 1 1 A 5 5 PRO CB C 35 32.488 32.329 0.159 1
1 53 . 15 1 1 A 6 6 THR H H 36 8.447 8.545 -0.098 1
1 54 . 15 1 1 A 6 6 THR HA H 36 4.445 4.467 -0.022 1
1 59 . 15 1 1 A 6 6 THR C C 36 174.231 173.065 1.166 1
1 60 . 15 1 1 A 6 6 THR CA C 36 61.727 60.965 0.762 1
1 61 . 15 1 1 A 6 6 THR CB C 36 69.213 69.765 -0.552 1
1 63 . 15 1 1 A 6 6 THR N N 36 111.916 117.600 -5.684 1
1 64 . 15 1 1 A 7 7 THR H H 37 7.303 7.597 -0.294 1
1 65 . 15 1 1 A 7 7 THR HA H 37 5.232 5.055 0.177 1
1 70 . 15 1 1 A 7 7 THR C C 37 175.848 174.994 0.854 1
1 71 . 15 1 1 A 7 7 THR CA C 37 58.599 59.096 -0.497 1
1 72 . 15 1 1 A 7 7 THR CB C 37 71.971 71.907 0.064 1
1 74 . 15 1 1 A 7 7 THR N N 37 110.288 113.303 -3.015 1
1 75 . 15 1 1 A 8 8 LEU H H 38 9.065 8.459 0.606 1
1 76 . 15 1 1 A 8 8 LEU HA H 38 3.829 3.923 -0.094 1
1 86 . 15 1 1 A 8 8 LEU C C 38 177.964 178.940 -0.976 1
1 87 . 15 1 1 A 8 8 LEU CA C 38 57.613 57.955 -0.342 1
1 88 . 15 1 1 A 8 8 LEU CB C 38 41.058 41.297 -0.239 1
1 92 . 15 1 1 A 8 8 LEU N N 38 122.441 123.685 -1.244 1
1 93 . 15 1 1 A 9 9 GLY H H 39 8.753 8.492 0.261 1
1 94 . 15 1 1 A 9 9 GLY HA2 H 39 3.969 3.696 0.273 1
1 95 . 15 1 1 A 9 9 GLY HA3 H 39 3.769 3.700 0.069 1
1 96 . 15 1 1 A 9 9 GLY C C 39 176.615 175.367 1.248 1
1 97 . 15 1 1 A 9 9 GLY CA C 39 47.314 46.929 0.385 1
1 98 . 15 1 1 A 9 9 GLY N N 39 104.356 106.461 -2.105 1
1 99 . 15 1 1 A 10 10 LYS H H 40 7.341 7.580 -0.239 1
1 100 . 15 1 1 A 10 10 LYS HA H 40 4.241 4.125 0.116 1
1 109 . 15 1 1 A 10 10 LYS C C 40 179.292 179.193 0.099 1
1 110 . 15 1 1 A 10 10 LYS CA C 40 58.108 58.970 -0.862 1
1 111 . 15 1 1 A 10 10 LYS CB C 40 32.346 32.011 0.335 1
1 115 . 15 1 1 A 10 10 LYS N N 40 120.741 122.015 -1.274 1
1 116 . 15 1 1 A 11 11 LEU H H 41 8.033 7.948 0.085 1
1 117 . 15 1 1 A 11 11 LEU HA H 41 4.059 3.957 0.102 1
1 127 . 15 1 1 A 11 11 LEU C C 41 177.253 177.853 -0.600 1
1 128 . 15 1 1 A 11 11 LEU CA C 41 57.978 57.658 0.320 1
1 129 . 15 1 1 A 11 11 LEU CB C 41 41.760 41.535 0.225 1
1 133 . 15 1 1 A 11 11 LEU N N 41 121.501 122.282 -0.781 1
1 134 . 15 1 1 A 12 12 ASP H H 42 9.025 8.273 0.752 1
1 135 . 15 1 1 A 12 12 ASP HA H 42 4.045 4.258 -0.213 1
1 138 . 15 1 1 A 12 12 ASP C C 42 176.536 178.695 -2.159 1
1 139 . 15 1 1 A 12 12 ASP CA C 42 58.740 57.811 0.929 1
1 140 . 15 1 1 A 12 12 ASP CB C 42 44.783 42.384 2.399 1
1 141 . 15 1 1 A 12 12 ASP N N 42 119.776 119.019 0.757 1
1 142 . 15 1 1 A 13 13 GLU H H 43 7.253 7.901 -0.648 1
1 143 . 15 1 1 A 13 13 GLU HA H 43 3.869 4.068 -0.199 1
1 148 . 15 1 1 A 13 13 GLU C C 43 178.916 178.980 -0.064 1
1 149 . 15 1 1 A 13 13 GLU CA C 43 59.511 59.059 0.452 1
1 150 . 15 1 1 A 13 13 GLU CB C 43 30.131 29.167 0.964 1
1 152 . 15 1 1 A 13 13 GLU N N 43 116.304 119.062 -2.758 1
1 153 . 15 1 1 A 14 14 ARG H H 44 7.234 7.816 -0.582 1
1 154 . 15 1 1 A 14 14 ARG HA H 44 3.920 4.018 -0.098 1
1 163 . 15 1 1 A 14 14 ARG C C 44 177.609 178.430 -0.821 1
1 164 . 15 1 1 A 14 14 ARG CA C 44 58.607 58.893 -0.286 1
1 165 . 15 1 1 A 14 14 ARG CB C 44 30.304 29.778 0.526 1
1 168 . 15 1 1 A 14 14 ARG N N 44 118.267 119.153 -0.886 1
1 171 . 15 1 1 A 15 15 LEU H H 45 8.734 8.367 0.367 1
1 172 . 15 1 1 A 15 15 LEU HA H 45 3.809 3.753 0.056 1
1 182 . 15 1 1 A 15 15 LEU C C 45 179.204 179.522 -0.318 1
1 183 . 15 1 1 A 15 15 LEU CA C 45 58.248 57.934 0.314 1
1 184 . 15 1 1 A 15 15 LEU CB C 45 42.076 41.440 0.636 1
1 188 . 15 1 1 A 15 15 LEU N N 45 117.856 119.723 -1.867 1
1 189 . 15 1 1 A 16 16 ARG H H 46 8.280 8.654 -0.374 1
1 190 . 15 1 1 A 16 16 ARG HA H 46 3.863 4.118 -0.255 1
1 200 . 15 1 1 A 16 16 ARG C C 46 179.432 179.274 0.158 1
1 201 . 15 1 1 A 16 16 ARG CA C 46 60.779 59.336 1.443 1
1 202 . 15 1 1 A 16 16 ARG CB C 46 29.824 29.604 0.220 1
1 205 . 15 1 1 A 16 16 ARG N N 46 115.954 119.409 -3.455 1
1 209 . 15 1 1 A 17 17 ASN H H 47 7.433 8.081 -0.648 1
1 210 . 15 1 1 A 17 17 ASN HA H 47 4.458 4.530 -0.072 1
1 215 . 15 1 1 A 17 17 ASN C C 47 177.657 178.012 -0.355 1
1 216 . 15 1 1 A 17 17 ASN CA C 47 56.297 56.266 0.031 1
1 217 . 15 1 1 A 17 17 ASN CB C 47 38.540 38.471 0.069 1
1 219 . 15 1 1 A 17 17 ASN N N 47 118.514 117.805 0.709 1
1 221 . 15 1 1 A 18 18 TYR H H 48 8.945 8.504 0.441 1
1 222 . 15 1 1 A 18 18 TYR HA H 48 4.184 4.317 -0.133 1
1 229 . 15 1 1 A 18 18 TYR C C 48 177.806 178.332 -0.526 1
1 230 . 15 1 1 A 18 18 TYR CA C 48 58.651 61.550 -2.899 1
1 231 . 15 1 1 A 18 18 TYR CB C 48 36.527 37.784 -1.257 1
1 234 . 15 1 1 A 18 18 TYR N N 48 121.714 119.332 2.382 1
1 235 . 15 1 1 A 19 19 LEU H H 49 8.293 8.162 0.131 1
1 236 . 15 1 1 A 19 19 LEU HA H 49 3.410 3.660 -0.250 1
1 246 . 15 1 1 A 19 19 LEU C C 49 179.153 178.630 0.523 1
1 247 . 15 1 1 A 19 19 LEU CA C 49 57.822 58.045 -0.223 1
1 248 . 15 1 1 A 19 19 LEU CB C 49 41.929 41.577 0.352 1
1 252 . 15 1 1 A 19 19 LEU N N 49 119.284 121.053 -1.769 1
1 253 . 15 1 1 A 20 20 LYS H H 50 7.322 7.537 -0.215 1
1 254 . 15 1 1 A 20 20 LYS HA H 50 3.893 3.877 0.016 1
1 263 . 15 1 1 A 20 20 LYS C C 50 177.980 178.924 -0.944 1
1 264 . 15 1 1 A 20 20 LYS CA C 50 59.104 60.113 -1.009 1
1 265 . 15 1 1 A 20 20 LYS CB C 50 32.348 31.989 0.359 1
1 269 . 15 1 1 A 20 20 LYS N N 50 117.005 116.824 0.181 1
1 270 . 15 1 1 A 21 21 LYS H H 51 7.435 8.436 -1.001 1
1 271 . 15 1 1 A 21 21 LYS HA H 51 4.080 4.114 -0.034 1
1 280 . 15 1 1 A 21 21 LYS C C 51 178.971 178.411 0.560 1
1 281 . 15 1 1 A 21 21 LYS CA C 51 57.418 58.290 -0.872 1
1 282 . 15 1 1 A 21 21 LYS CB C 51 32.675 32.697 -0.022 1
1 286 . 15 1 1 A 21 21 LYS N N 51 115.946 117.714 -1.768 1
1 287 . 15 1 1 A 22 22 GLY H H 52 8.290 7.992 0.298 1
1 288 . 15 1 1 A 22 22 GLY HA2 H 52 3.897 3.948 -0.051 1
1 289 . 15 1 1 A 22 22 GLY HA3 H 52 4.181 3.978 0.203 1
1 290 . 15 1 1 A 22 22 GLY C C 52 173.610 174.177 -0.567 1
1 291 . 15 1 1 A 22 22 GLY CA C 52 45.088 46.233 -1.145 1
1 292 . 15 1 1 A 22 22 GLY N N 52 105.432 108.029 -2.597 1
1 293 . 15 1 1 A 23 23 THR H H 53 7.148 7.744 -0.596 1
1 294 . 15 1 1 A 23 23 THR HA H 53 4.838 4.383 0.455 1
1 300 . 15 1 1 A 23 23 THR C C 53 174.444 175.229 -0.785 1
1 301 . 15 1 1 A 23 23 THR CA C 53 59.766 60.132 -0.366 1
1 302 . 15 1 1 A 23 23 THR CB C 53 72.471 71.225 1.246 1
1 304 . 15 1 1 A 23 23 THR N N 53 107.608 111.625 -4.017 1
1 305 . 15 1 1 A 24 24 LYS H H 54 8.414 8.528 -0.114 1
1 306 . 15 1 1 A 24 24 LYS HA H 54 4.355 4.131 0.224 1
1 315 . 15 1 1 A 24 24 LYS C C 54 177.632 176.667 0.965 1
1 316 . 15 1 1 A 24 24 LYS CA C 54 57.393 58.318 -0.925 1
1 317 . 15 1 1 A 24 24 LYS CB C 54 32.806 33.035 -0.229 1
1 321 . 15 1 1 A 24 24 LYS N N 54 118.924 121.093 -2.169 1
1 322 . 15 1 1 A 25 25 ASN H H 55 7.823 7.804 0.019 1
1 323 . 15 1 1 A 25 25 ASN HA H 55 4.992 4.957 0.035 1
1 328 . 15 1 1 A 25 25 ASN C C 55 174.882 175.070 -0.188 1
1 329 . 15 1 1 A 25 25 ASN CA C 55 51.540 52.968 -1.428 1
1 330 . 15 1 1 A 25 25 ASN CB C 55 38.209 40.324 -2.115 1
1 332 . 15 1 1 A 25 25 ASN N N 55 116.576 115.758 0.818 1
1 334 . 15 1 1 A 26 26 SER H H 56 8.557 9.184 -0.627 1
1 335 . 15 1 1 A 26 26 SER HA H 56 4.145 4.611 -0.466 1
1 338 . 15 1 1 A 26 26 SER C C 56 176.886 176.547 0.339 1
1 339 . 15 1 1 A 26 26 SER CA C 56 61.051 60.316 0.735 1
1 340 . 15 1 1 A 26 26 SER CB C 56 62.398 63.229 -0.831 1
1 341 . 15 1 1 A 26 26 SER N N 56 118.968 121.449 -2.481 1
1 342 . 15 1 1 A 27 27 ALA H H 57 8.133 7.975 0.158 1
1 343 . 15 1 1 A 27 27 ALA HA H 57 4.277 4.193 0.084 1
1 347 . 15 1 1 A 27 27 ALA C C 57 177.779 179.725 -1.946 1
1 348 . 15 1 1 A 27 27 ALA CA C 57 54.020 54.334 -0.314 1
1 349 . 15 1 1 A 27 27 ALA CB C 57 18.258 18.597 -0.339 1
1 350 . 15 1 1 A 27 27 ALA N N 57 125.334 124.963 0.371 1
1 351 . 15 1 1 A 28 28 GLN H H 58 7.113 8.259 -1.146 1
1 352 . 15 1 1 A 28 28 GLN HA H 58 4.262 4.159 0.103 1
1 359 . 15 1 1 A 28 28 GLN C C 58 174.984 176.110 -1.126 1
1 360 . 15 1 1 A 28 28 GLN CA C 58 56.272 57.417 -1.145 1
1 361 . 15 1 1 A 28 28 GLN CB C 58 28.627 27.953 0.674 1
1 364 . 15 1 1 A 28 28 GLN N N 58 112.472 114.350 -1.878 1
1 366 . 15 1 1 A 29 29 PHE H H 59 7.361 7.531 -0.170 1
1 367 . 15 1 1 A 29 29 PHE HA H 59 4.622 4.624 -0.002 1
1 375 . 15 1 1 A 29 29 PHE C C 59 173.987 175.603 -1.616 1
1 376 . 15 1 1 A 29 29 PHE CA C 59 59.534 59.120 0.414 1
1 377 . 15 1 1 A 29 29 PHE CB C 59 38.939 39.893 -0.954 1
1 381 . 15 1 1 A 29 29 PHE N N 59 118.258 119.649 -1.391 1
1 382 . 15 1 1 A 30 30 GLU H H 60 9.228 9.509 -0.281 1
1 383 . 15 1 1 A 30 30 GLU HA H 60 4.479 4.624 -0.145 1
1 388 . 15 1 1 A 30 30 GLU C C 60 176.282 175.900 0.382 1
1 389 . 15 1 1 A 30 30 GLU CA C 60 57.063 57.587 -0.524 1
1 390 . 15 1 1 A 30 30 GLU CB C 60 33.512 32.773 0.739 1
1 392 . 15 1 1 A 30 30 GLU N N 60 125.247 124.568 0.679 1
1 393 . 15 1 1 A 31 31 LYS H H 61 7.998 7.698 0.300 1
1 394 . 15 1 1 A 31 31 LYS HA H 61 5.074 4.751 0.323 1
1 403 . 15 1 1 A 31 31 LYS C C 61 172.325 174.551 -2.226 1
1 404 . 15 1 1 A 31 31 LYS CA C 61 54.881 54.981 -0.100 1
1 405 . 15 1 1 A 31 31 LYS CB C 61 35.683 35.565 0.118 1
1 409 . 15 1 1 A 31 31 LYS N N 61 113.709 116.043 -2.334 1
1 410 . 15 1 1 A 32 32 MET H H 62 9.051 9.174 -0.123 1
1 411 . 15 1 1 A 32 32 MET HA H 62 5.630 5.363 0.267 1
1 419 . 15 1 1 A 32 32 MET C C 62 172.898 174.005 -1.107 1
1 420 . 15 1 1 A 32 32 MET CA C 62 53.043 53.319 -0.276 1
1 421 . 15 1 1 A 32 32 MET CB C 62 35.214 35.627 -0.413 1
1 424 . 15 1 1 A 32 32 MET N N 62 118.635 116.681 1.954 1
1 425 . 15 1 1 A 33 33 VAL H H 63 9.186 8.992 0.194 1
1 426 . 15 1 1 A 33 33 VAL HA H 63 4.700 5.009 -0.309 1
1 434 . 15 1 1 A 33 33 VAL C C 63 174.133 173.657 0.476 1
1 435 . 15 1 1 A 33 33 VAL CA C 63 61.351 60.079 1.272 1
1 436 . 15 1 1 A 33 33 VAL CB C 63 34.651 34.881 -0.230 1
1 439 . 15 1 1 A 33 33 VAL N N 63 122.441 118.726 3.715 1
1 440 . 15 1 1 A 34 34 ILE H H 64 9.244 9.148 0.096 1
1 441 . 15 1 1 A 34 34 ILE HA H 64 4.302 4.849 -0.547 1
1 451 . 15 1 1 A 34 34 ILE C C 64 174.924 175.097 -0.173 1
1 452 . 15 1 1 A 34 34 ILE CA C 64 60.422 59.812 0.610 1
1 453 . 15 1 1 A 34 34 ILE CB C 64 41.255 38.505 2.750 1
1 457 . 15 1 1 A 34 34 ILE N N 64 127.876 129.629 -1.753 1
1 458 . 15 1 1 A 35 35 LEU H H 65 9.117 9.397 -0.280 1
1 459 . 15 1 1 A 35 35 LEU HA H 65 5.531 5.347 0.184 1
1 469 . 15 1 1 A 35 35 LEU C C 65 178.538 176.663 1.875 1
1 470 . 15 1 1 A 35 35 LEU CA C 65 53.047 53.792 -0.745 1
1 471 . 15 1 1 A 35 35 LEU CB C 65 43.797 43.097 0.700 1
1 475 . 15 1 1 A 35 35 LEU N N 65 125.572 129.106 -3.534 1
1 476 . 15 1 1 A 36 36 THR H H 66 8.634 8.694 -0.060 1
1 477 . 15 1 1 A 36 36 THR HA H 66 5.212 5.187 0.025 1
1 482 . 15 1 1 A 36 36 THR C C 66 174.918 174.787 0.131 1
1 483 . 15 1 1 A 36 36 THR CA C 66 59.374 60.265 -0.891 1
1 484 . 15 1 1 A 36 36 THR CB C 66 72.100 71.491 0.609 1
1 486 . 15 1 1 A 36 36 THR N N 66 112.840 115.771 -2.931 1
1 487 . 15 1 1 A 37 37 GLU H H 67 8.580 8.845 -0.265 1
1 488 . 15 1 1 A 37 37 GLU HA H 67 4.469 4.341 0.128 1
1 493 . 15 1 1 A 37 37 GLU C C 67 177.333 176.803 0.530 1
1 494 . 15 1 1 A 37 37 GLU CA C 67 57.348 56.250 1.098 1
1 495 . 15 1 1 A 37 37 GLU CB C 67 31.357 30.646 0.711 1
1 497 . 15 1 1 A 37 37 GLU N N 67 118.675 121.551 -2.876 1
1 498 . 15 1 1 A 38 38 ASN H H 68 8.580 8.986 -0.406 1
1 499 . 15 1 1 A 38 38 ASN HA H 68 3.768 4.558 -0.790 1
1 504 . 15 1 1 A 38 38 ASN C C 68 172.921 174.659 -1.738 1
1 505 . 15 1 1 A 38 38 ASN CA C 68 54.686 54.710 -0.024 1
1 506 . 15 1 1 A 38 38 ASN CB C 68 36.511 37.124 -0.613 1
1 508 . 15 1 1 A 38 38 ASN N N 68 114.341 117.482 -3.141 1
1 510 . 15 1 1 A 39 39 LYS H H 69 7.891 8.176 -0.285 1
1 511 . 15 1 1 A 39 39 LYS HA H 69 3.936 3.828 0.108 1
1 520 . 15 1 1 A 39 39 LYS C C 69 177.032 176.320 0.712 1
1 521 . 15 1 1 A 39 39 LYS CA C 69 56.758 57.330 -0.572 1
1 522 . 15 1 1 A 39 39 LYS CB C 69 28.099 29.502 -1.403 1
1 526 . 15 1 1 A 39 39 LYS N N 69 107.932 109.494 -1.562 1
1 527 . 15 1 1 A 40 40 GLY H H 70 6.998 7.627 -0.629 1
1 528 . 15 1 1 A 40 40 GLY HA2 H 70 4.362 3.761 0.601 1
1 529 . 15 1 1 A 40 40 GLY HA3 H 70 3.875 4.051 -0.176 1
1 530 . 15 1 1 A 40 40 GLY C C 70 173.763 171.856 1.907 1
1 531 . 15 1 1 A 40 40 GLY CA C 70 46.628 45.682 0.946 1
1 532 . 15 1 1 A 40 40 GLY N N 70 107.011 107.084 -0.073 1
1 533 . 15 1 1 A 41 41 TYR H H 71 7.679 8.380 -0.701 1
1 534 . 15 1 1 A 41 41 TYR HA H 71 5.097 5.249 -0.152 1
1 541 . 15 1 1 A 41 41 TYR C C 71 174.452 173.004 1.448 1
1 542 . 15 1 1 A 41 41 TYR CA C 71 57.730 56.986 0.744 1
1 543 . 15 1 1 A 41 41 TYR CB C 71 40.474 41.463 -0.989 1
1 546 . 15 1 1 A 41 41 TYR N N 71 129.822 123.580 6.242 1
1 547 . 15 1 1 A 42 42 TYR H H 72 9.101 9.059 0.042 1
1 548 . 15 1 1 A 42 42 TYR HA H 72 4.875 5.097 -0.222 1
1 555 . 15 1 1 A 42 42 TYR C C 72 174.448 174.322 0.126 1
1 556 . 15 1 1 A 42 42 TYR CA C 72 56.114 56.538 -0.424 1
1 557 . 15 1 1 A 42 42 TYR CB C 72 41.115 40.309 0.806 1
1 560 . 15 1 1 A 42 42 TYR N N 72 126.527 127.470 -0.943 1
1 561 . 15 1 1 A 43 43 THR H H 73 9.022 8.848 0.174 1
1 562 . 15 1 1 A 43 43 THR HA H 73 4.876 4.824 0.052 1
1 567 . 15 1 1 A 43 43 THR C C 73 174.791 173.754 1.037 1
1 568 . 15 1 1 A 43 43 THR CA C 73 62.821 61.789 1.032 1
1 569 . 15 1 1 A 43 43 THR CB C 73 68.769 69.768 -0.999 1
1 571 . 15 1 1 A 43 43 THR N N 73 120.810 120.122 0.688 1
1 572 . 15 1 1 A 44 44 VAL H H 74 9.233 8.833 0.400 1
1 573 . 15 1 1 A 44 44 VAL HA H 74 4.427 4.611 -0.184 1
1 581 . 15 1 1 A 44 44 VAL C C 74 175.094 174.512 0.582 1
1 582 . 15 1 1 A 44 44 VAL CA C 74 61.457 61.264 0.193 1
1 583 . 15 1 1 A 44 44 VAL CB C 74 35.669 35.030 0.639 1
1 586 . 15 1 1 A 44 44 VAL N N 74 129.156 127.889 1.267 1
1 587 . 15 1 1 A 45 45 TYR H H 75 9.384 8.947 0.437 1
1 588 . 15 1 1 A 45 45 TYR HA H 75 4.528 4.800 -0.272 1
1 595 . 15 1 1 A 45 45 TYR C C 75 176.497 176.031 0.466 1
1 596 . 15 1 1 A 45 45 TYR CA C 75 59.843 58.095 1.748 1
1 597 . 15 1 1 A 45 45 TYR CB C 75 38.245 38.788 -0.543 1
1 600 . 15 1 1 A 45 45 TYR N N 75 128.465 126.979 1.486 1
1 601 . 15 1 1 A 46 46 LEU H H 76 8.524 9.119 -0.595 1
1 602 . 15 1 1 A 46 46 LEU HA H 76 4.528 4.318 0.210 1
1 612 . 15 1 1 A 46 46 LEU C C 76 177.001 178.582 -1.581 1
1 613 . 15 1 1 A 46 46 LEU CA C 76 55.010 56.514 -1.504 1
1 614 . 15 1 1 A 46 46 LEU CB C 76 42.094 42.114 -0.020 1
1 618 . 15 1 1 A 46 46 LEU N N 76 119.547 125.152 -5.605 1
1 619 . 15 1 1 A 47 47 ASN H H 77 8.599 8.176 0.423 1
1 620 . 15 1 1 A 47 47 ASN HA H 77 4.618 4.755 -0.137 1
1 625 . 15 1 1 A 47 47 ASN C C 77 173.844 175.030 -1.186 1
1 626 . 15 1 1 A 47 47 ASN CA C 77 54.045 54.561 -0.516 1
1 627 . 15 1 1 A 47 47 ASN CB C 77 37.058 38.484 -1.426 1
1 629 . 15 1 1 A 47 47 ASN N N 77 116.407 115.530 0.877 1
1 631 . 15 1 1 A 48 48 THR H H 78 7.429 7.557 -0.128 1
1 632 . 15 1 1 A 48 48 THR HA H 78 4.803 5.071 -0.268 1
1 637 . 15 1 1 A 48 48 THR C C 78 175.201 173.099 2.102 1
1 638 . 15 1 1 A 48 48 THR CA C 78 58.577 58.683 -0.106 1
1 639 . 15 1 1 A 48 48 THR CB C 78 70.494 70.641 -0.147 1
1 641 . 15 1 1 A 48 48 THR N N 78 111.551 110.615 0.936 1
1 642 . 15 1 1 A 49 49 PRO HA H 79 4.462 4.654 -0.192 1
1 649 . 15 1 1 A 49 49 PRO C C 79 176.670 176.554 0.116 1
1 650 . 15 1 1 A 49 49 PRO CA C 79 62.384 62.457 -0.073 1
1 651 . 15 1 1 A 49 49 PRO CB C 79 32.205 32.721 -0.516 1
1 654 . 15 1 1 A 50 50 LEU H H 80 9.049 8.367 0.682 1
1 655 . 15 1 1 A 50 50 LEU HA H 80 4.081 4.757 -0.676 1
1 665 . 15 1 1 A 50 50 LEU C C 80 176.758 176.539 0.219 1
1 666 . 15 1 1 A 50 50 LEU CA C 80 55.315 52.528 2.787 1
1 667 . 15 1 1 A 50 50 LEU CB C 80 41.915 45.089 -3.174 1
1 671 . 15 1 1 A 50 50 LEU N N 80 126.341 117.419 8.922 1
1 672 . 15 1 1 A 51 51 ALA H H 81 8.415 8.732 -0.317 1
1 673 . 15 1 1 A 51 51 ALA HA H 81 4.187 4.417 -0.230 1
1 677 . 15 1 1 A 51 51 ALA C C 81 179.005 178.456 0.549 1
1 678 . 15 1 1 A 51 51 ALA CA C 81 52.851 51.914 0.937 1
1 679 . 15 1 1 A 51 51 ALA CB C 81 19.625 19.491 0.134 1
1 680 . 15 1 1 A 51 51 ALA N N 81 129.745 123.415 6.330 1
1 681 . 15 1 1 A 52 52 GLU H H 82 8.739 9.070 -0.331 1
1 682 . 15 1 1 A 52 52 GLU HA H 82 3.815 4.036 -0.221 1
1 687 . 15 1 1 A 52 52 GLU C C 82 178.591 178.390 0.201 1
1 688 . 15 1 1 A 52 52 GLU CA C 82 59.566 59.343 0.223 1
1 689 . 15 1 1 A 52 52 GLU CB C 82 29.774 29.228 0.546 1
1 691 . 15 1 1 A 52 52 GLU N N 82 121.424 120.964 0.460 1
1 692 . 15 1 1 A 53 53 ASP H H 83 8.511 8.337 0.174 1
1 693 . 15 1 1 A 53 53 ASP HA H 83 4.427 4.344 0.083 1
1 696 . 15 1 1 A 53 53 ASP C C 83 177.306 179.327 -2.021 1
1 697 . 15 1 1 A 53 53 ASP CA C 83 55.398 56.864 -1.466 1
1 698 . 15 1 1 A 53 53 ASP CB C 83 39.430 40.001 -0.571 1
1 699 . 15 1 1 A 53 53 ASP N N 83 114.043 120.127 -6.084 1
1 700 . 15 1 1 A 54 54 ARG H H 84 7.800 7.668 0.132 1
1 701 . 15 1 1 A 54 54 ARG HA H 84 4.527 4.106 0.421 1
1 710 . 15 1 1 A 54 54 ARG C C 84 176.966 179.391 -2.425 1
1 711 . 15 1 1 A 54 54 ARG CA C 84 55.915 59.183 -3.268 1
1 712 . 15 1 1 A 54 54 ARG CB C 84 31.804 30.067 1.737 1
1 715 . 15 1 1 A 54 54 ARG N N 84 118.147 120.315 -2.168 1
1 718 . 15 1 1 A 55 55 LYS H H 85 7.335 7.486 -0.151 1
1 719 . 15 1 1 A 55 55 LYS HA H 85 3.551 4.092 -0.541 1
1 728 . 15 1 1 A 55 55 LYS C C 85 178.113 177.398 0.715 1
1 729 . 15 1 1 A 55 55 LYS CA C 85 59.887 58.384 1.503 1
1 730 . 15 1 1 A 55 55 LYS CB C 85 32.935 32.240 0.695 1
1 734 . 15 1 1 A 55 55 LYS N N 85 116.576 119.167 -2.591 1
1 735 . 15 1 1 A 56 56 ASN H H 86 8.347 7.466 0.881 1
1 736 . 15 1 1 A 56 56 ASN HA H 86 4.886 4.910 -0.024 1
1 741 . 15 1 1 A 56 56 ASN C C 86 174.736 175.282 -0.546 1
1 742 . 15 1 1 A 56 56 ASN CA C 86 52.265 53.120 -0.855 1
1 743 . 15 1 1 A 56 56 ASN CB C 86 38.239 40.712 -2.473 1
1 745 . 15 1 1 A 56 56 ASN N N 86 114.341 115.601 -1.260 1
1 747 . 15 1 1 A 57 57 VAL H H 87 6.985 7.179 -0.194 1
1 748 . 15 1 1 A 57 57 VAL HA H 87 3.746 4.054 -0.308 1
1 756 . 15 1 1 A 57 57 VAL C C 87 175.380 176.083 -0.703 1
1 757 . 15 1 1 A 57 57 VAL CA C 87 63.723 62.287 1.436 1
1 758 . 15 1 1 A 57 57 VAL CB C 87 32.650 32.617 0.033 1
1 761 . 15 1 1 A 57 57 VAL N N 87 121.424 121.720 -0.296 1
1 762 . 15 1 1 A 58 58 GLU H H 88 8.777 8.576 0.201 1
1 763 . 15 1 1 A 58 58 GLU HA H 88 4.339 4.564 -0.225 1
1 768 . 15 1 1 A 58 58 GLU C C 88 176.364 176.529 -0.165 1
1 769 . 15 1 1 A 58 58 GLU CA C 88 56.085 56.510 -0.425 1
1 770 . 15 1 1 A 58 58 GLU CB C 88 29.861 30.138 -0.277 1
1 772 . 15 1 1 A 58 58 GLU N N 88 129.489 127.910 1.579 1
1 773 . 15 1 1 A 59 59 LEU H H 89 8.230 8.368 -0.138 1
1 774 . 15 1 1 A 59 59 LEU HA H 89 4.299 4.176 0.123 1
1 784 . 15 1 1 A 59 59 LEU C C 89 178.976 178.156 0.820 1
1 785 . 15 1 1 A 59 59 LEU CA C 89 54.651 55.209 -0.558 1
1 786 . 15 1 1 A 59 59 LEU CB C 89 42.596 41.701 0.895 1
1 790 . 15 1 1 A 59 59 LEU N N 89 124.395 126.123 -1.728 1
1 791 . 15 1 1 A 60 60 LEU H H 90 7.777 9.264 -1.487 1
1 792 . 15 1 1 A 60 60 LEU HA H 90 4.135 4.203 -0.068 1
1 802 . 15 1 1 A 60 60 LEU C C 90 176.394 176.888 -0.494 1
1 803 . 15 1 1 A 60 60 LEU CA C 90 56.754 56.581 0.173 1
1 804 . 15 1 1 A 60 60 LEU CB C 90 42.413 42.959 -0.546 1
1 808 . 15 1 1 A 60 60 LEU N N 90 119.734 124.385 -4.651 1
1 809 . 15 1 1 A 61 61 GLY H H 91 7.224 7.518 -0.294 1
1 810 . 15 1 1 A 61 61 GLY HA2 H 91 4.165 4.103 0.062 1
1 811 . 15 1 1 A 61 61 GLY HA3 H 91 3.899 4.119 -0.220 1
1 812 . 15 1 1 A 61 61 GLY C C 91 171.742 172.642 -0.900 1
1 813 . 15 1 1 A 61 61 GLY CA C 91 44.969 45.667 -0.698 1
1 814 . 15 1 1 A 61 61 GLY N N 91 103.707 104.747 -1.040 1
1 815 . 15 1 1 A 62 62 LYS H H 92 8.771 8.332 0.439 1
1 816 . 15 1 1 A 62 62 LYS HA H 92 4.150 4.388 -0.238 1
1 825 . 15 1 1 A 62 62 LYS C C 92 177.522 176.043 1.479 1
1 826 . 15 1 1 A 62 62 LYS CA C 92 56.750 56.062 0.688 1
1 827 . 15 1 1 A 62 62 LYS CB C 92 33.835 33.270 0.565 1
1 831 . 15 1 1 A 62 62 LYS N N 92 118.635 120.991 -2.356 1
1 832 . 15 1 1 A 63 63 MET H H 93 9.188 8.433 0.755 1
1 833 . 15 1 1 A 63 63 MET HA H 93 3.835 4.549 -0.714 1
1 841 . 15 1 1 A 63 63 MET C C 93 173.913 175.791 -1.878 1
1 842 . 15 1 1 A 63 63 MET CA C 93 59.275 53.965 5.310 1
1 843 . 15 1 1 A 63 63 MET CB C 93 31.483 31.171 0.312 1
1 846 . 15 1 1 A 63 63 MET N N 93 123.413 124.709 -1.296 1
1 847 . 15 1 1 A 64 64 TYR H H 94 9.421 8.589 0.832 1
1 848 . 15 1 1 A 64 64 TYR HA H 94 4.767 4.055 0.712 1
1 855 . 15 1 1 A 64 64 TYR C C 94 173.918 174.963 -1.045 1
1 856 . 15 1 1 A 64 64 TYR CA C 94 56.933 61.926 -4.993 1
1 857 . 15 1 1 A 64 64 TYR CB C 94 40.020 38.834 1.186 1
1 860 . 15 1 1 A 64 64 TYR N N 94 129.403 126.092 3.311 1
1 861 . 15 1 1 A 65 65 LYS H H 95 7.289 7.891 -0.602 1
1 862 . 15 1 1 A 65 65 LYS HA H 95 4.688 4.875 -0.187 1
1 871 . 15 1 1 A 65 65 LYS C C 95 175.000 174.696 0.304 1
1 872 . 15 1 1 A 65 65 LYS CA C 95 55.841 54.720 1.121 1
1 873 . 15 1 1 A 65 65 LYS CB C 95 40.404 37.047 3.357 1
1 877 . 15 1 1 A 65 65 LYS N N 95 118.804 116.949 1.855 1
1 878 . 15 1 1 A 66 66 THR H H 96 8.727 8.093 0.634 1
1 879 . 15 1 1 A 66 66 THR HA H 96 5.149 5.311 -0.162 1
1 885 . 15 1 1 A 66 66 THR C C 96 172.120 172.794 -0.674 1
1 886 . 15 1 1 A 66 66 THR CA C 96 62.226 60.616 1.610 1
1 887 . 15 1 1 A 66 66 THR CB C 96 71.787 71.845 -0.058 1
1 889 . 15 1 1 A 66 66 THR N N 96 116.235 115.364 0.871 1
1 890 . 15 1 1 A 67 67 TYR H H 97 8.969 8.992 -0.023 1
1 891 . 15 1 1 A 67 67 TYR HA H 97 5.027 5.191 -0.164 1
1 898 . 15 1 1 A 67 67 TYR C C 97 175.077 174.711 0.366 1
1 899 . 15 1 1 A 67 67 TYR CA C 97 57.278 56.445 0.833 1
1 900 . 15 1 1 A 67 67 TYR CB C 97 42.054 41.487 0.567 1
1 903 . 15 1 1 A 67 67 TYR N N 97 125.256 125.665 -0.409 1
1 904 . 15 1 1 A 68 68 PHE H H 98 9.189 9.126 0.063 1
1 905 . 15 1 1 A 68 68 PHE HA H 98 5.177 4.972 0.205 1
1 913 . 15 1 1 A 68 68 PHE C C 98 174.791 174.797 -0.006 1
1 914 . 15 1 1 A 68 68 PHE CA C 98 57.825 56.396 1.429 1
1 915 . 15 1 1 A 68 68 PHE CB C 98 42.377 43.278 -0.901 1
1 919 . 15 1 1 A 68 68 PHE N N 98 118.574 120.103 -1.529 1
1 920 . 15 1 1 A 69 69 PHE H H 99 8.976 9.500 -0.524 1
1 921 . 15 1 1 A 69 69 PHE HA H 99 4.893 5.237 -0.344 1
1 929 . 15 1 1 A 69 69 PHE C C 99 176.386 175.401 0.985 1
1 930 . 15 1 1 A 69 69 PHE CA C 99 56.777 56.302 0.475 1
1 931 . 15 1 1 A 69 69 PHE CB C 99 41.371 42.248 -0.877 1
1 935 . 15 1 1 A 69 69 PHE N N 99 119.573 120.812 -1.239 1
1 936 . 15 1 1 A 70 70 LYS H H 100 9.479 8.987 0.492 1
1 937 . 15 1 1 A 70 70 LYS HA H 100 4.533 4.299 0.234 1
1 946 . 15 1 1 A 70 70 LYS C C 100 176.156 176.244 -0.088 1
1 947 . 15 1 1 A 70 70 LYS CA C 100 56.706 56.319 0.387 1
1 948 . 15 1 1 A 70 70 LYS CB C 100 33.667 33.071 0.596 1
1 952 . 15 1 1 A 70 70 LYS N N 100 125.614 123.430 2.184 1
1 953 . 15 1 1 A 71 71 LYS H H 101 8.068 8.725 -0.657 1
1 954 . 15 1 1 A 71 71 LYS HA H 101 4.188 4.136 0.052 1
1 963 . 15 1 1 A 71 71 LYS C C 101 177.655 177.019 0.636 1
1 964 . 15 1 1 A 71 71 LYS CA C 101 58.238 57.277 0.961 1
1 965 . 15 1 1 A 71 71 LYS CB C 101 32.342 31.994 0.348 1
1 969 . 15 1 1 A 71 71 LYS N N 101 121.057 121.250 -0.193 1
1 970 . 15 1 1 A 72 72 GLY H H 102 8.899 9.006 -0.107 1
1 971 . 15 1 1 A 72 72 GLY HA2 H 102 4.196 3.953 0.243 1
1 972 . 15 1 1 A 72 72 GLY HA3 H 102 3.815 3.962 -0.147 1
1 973 . 15 1 1 A 72 72 GLY C C 102 173.997 174.103 -0.106 1
1 974 . 15 1 1 A 72 72 GLY CA C 102 45.802 46.338 -0.536 1
1 975 . 15 1 1 A 72 72 GLY N N 102 114.112 112.850 1.262 1
1 976 . 15 1 1 A 73 73 GLU H H 103 8.047 8.070 -0.023 1
1 977 . 15 1 1 A 73 73 GLU HA H 103 4.764 5.001 -0.237 1
1 982 . 15 1 1 A 73 73 GLU C C 103 175.975 175.862 0.113 1
1 983 . 15 1 1 A 73 73 GLU CA C 103 56.295 54.565 1.730 1
1 984 . 15 1 1 A 73 73 GLU CB C 103 31.153 33.702 -2.549 1
1 986 . 15 1 1 A 73 73 GLU N N 103 119.538 119.754 -0.216 1
1 987 . 15 1 1 A 74 74 SER H H 104 8.742 8.609 0.133 1
1 988 . 15 1 1 A 74 74 SER HA H 104 4.598 4.682 -0.084 1
1 991 . 15 1 1 A 74 74 SER C C 104 171.916 173.402 -1.486 1
1 992 . 15 1 1 A 74 74 SER CA C 104 58.363 57.302 1.061 1
1 993 . 15 1 1 A 74 74 SER CB C 104 64.025 64.553 -0.528 1
1 994 . 15 1 1 A 74 74 SER N N 104 115.383 117.234 -1.851 1
1 995 . 15 1 1 A 75 75 LYS H H 105 7.608 7.548 0.060 1
1 996 . 15 1 1 A 75 75 LYS HA H 105 5.588 5.140 0.448 1
1 1005 . 15 1 1 A 75 75 LYS C C 105 176.017 174.364 1.653 1
1 1006 . 15 1 1 A 75 75 LYS CA C 105 54.548 56.070 -1.522 1
1 1007 . 15 1 1 A 75 75 LYS CB C 105 35.211 35.751 -0.540 1
1 1011 . 15 1 1 A 75 75 LYS N N 105 121.040 122.315 -1.275 1
1 1012 . 15 1 1 A 76 76 SER H H 106 8.231 9.069 -0.838 1
1 1013 . 15 1 1 A 76 76 SER HA H 106 3.377 4.319 -0.942 1
1 1016 . 15 1 1 A 76 76 SER C C 106 172.571 174.236 -1.665 1
1 1017 . 15 1 1 A 76 76 SER CA C 106 59.650 57.905 1.745 1
1 1018 . 15 1 1 A 76 76 SER CB C 106 64.857 64.445 0.412 1
1 1019 . 15 1 1 A 76 76 SER N N 106 121.783 118.527 3.256 1
1 1020 . 15 1 1 A 77 77 SER H H 107 8.333 8.993 -0.660 1
1 1021 . 15 1 1 A 77 77 SER HA H 107 5.025 4.790 0.235 1
1 1024 . 15 1 1 A 77 77 SER C C 107 174.507 173.781 0.726 1
1 1025 . 15 1 1 A 77 77 SER CA C 107 57.561 58.674 -1.113 1
1 1026 . 15 1 1 A 77 77 SER CB C 107 65.330 64.880 0.450 1
1 1027 . 15 1 1 A 77 77 SER N N 107 106.276 116.654 -10.378 1
1 1028 . 15 1 1 A 78 78 TYR H H 108 7.825 7.285 0.540 1
1 1029 . 15 1 1 A 78 78 TYR HA H 108 4.754 4.775 -0.021 1
1 1036 . 15 1 1 A 78 78 TYR C C 108 171.725 173.517 -1.792 1
1 1037 . 15 1 1 A 78 78 TYR CA C 108 57.778 57.371 0.407 1
1 1038 . 15 1 1 A 78 78 TYR CB C 108 43.223 41.658 1.565 1
1 1041 . 15 1 1 A 78 78 TYR N N 108 126.289 120.576 5.713 1
1 1042 . 15 1 1 A 79 79 VAL H H 109 7.760 8.246 -0.486 1
1 1043 . 15 1 1 A 79 79 VAL HA H 109 5.215 4.733 0.482 1
1 1051 . 15 1 1 A 79 79 VAL C C 109 172.526 172.793 -0.267 1
1 1052 . 15 1 1 A 79 79 VAL CA C 109 59.193 59.696 -0.503 1
1 1053 . 15 1 1 A 79 79 VAL CB C 109 36.173 35.484 0.689 1
1 1056 . 15 1 1 A 79 79 VAL N N 109 127.825 125.247 2.578 1
1 1057 . 15 1 1 A 80 80 ILE H H 110 8.616 8.551 0.065 1
1 1058 . 15 1 1 A 80 80 ILE HA H 110 4.011 4.468 -0.457 1
1 1068 . 15 1 1 A 80 80 ILE C C 110 174.690 174.454 0.236 1
1 1069 . 15 1 1 A 80 80 ILE CA C 110 60.922 59.967 0.955 1
1 1070 . 15 1 1 A 80 80 ILE CB C 110 42.047 41.749 0.298 1
1 1074 . 15 1 1 A 80 80 ILE N N 110 124.001 125.811 -1.810 1
1 1075 . 15 1 1 A 81 81 ASN H H 111 8.937 8.483 0.454 1
1 1076 . 15 1 1 A 81 81 ASN HA H 111 4.760 5.058 -0.298 1
1 1081 . 15 1 1 A 81 81 ASN C C 111 175.326 175.307 0.019 1
1 1082 . 15 1 1 A 81 81 ASN CA C 111 53.600 52.299 1.301 1
1 1083 . 15 1 1 A 81 81 ASN CB C 111 40.412 39.634 0.778 1
1 1085 . 15 1 1 A 81 81 ASN N N 111 126.229 125.683 0.546 1
1 1087 . 15 1 1 A 82 82 GLY H H 112 7.984 8.391 -0.407 1
1 1088 . 15 1 1 A 82 82 GLY HA2 H 112 4.457 4.296 0.161 1
1 1089 . 15 1 1 A 82 82 GLY HA3 H 112 3.847 4.300 -0.453 1
1 1090 . 15 1 1 A 82 82 GLY C C 112 171.875 172.448 -0.573 1
1 1091 . 15 1 1 A 82 82 GLY CA C 112 43.303 44.883 -1.580 1
1 1092 . 15 1 1 A 82 82 GLY N N 112 110.894 109.658 1.236 1
1 1093 . 15 1 1 A 83 83 PRO HA H 113 4.609 4.740 -0.131 1
1 1100 . 15 1 1 A 83 83 PRO C C 113 178.327 176.571 1.756 1
1 1101 . 15 1 1 A 83 83 PRO CA C 113 63.342 62.889 0.453 1
1 1102 . 15 1 1 A 83 83 PRO CB C 113 32.232 31.744 0.488 1
1 1105 . 15 1 1 A 84 84 GLY H H 114 8.939 8.252 0.687 1
1 1106 . 15 1 1 A 84 84 GLY HA2 H 114 4.055 4.272 -0.217 1
1 1107 . 15 1 1 A 84 84 GLY HA3 H 114 3.192 4.339 -1.147 1
1 1108 . 15 1 1 A 84 84 GLY C C 114 172.587 173.711 -1.124 1
1 1109 . 15 1 1 A 84 84 GLY CA C 114 44.667 44.923 -0.256 1
1 1110 . 15 1 1 A 84 84 GLY N N 114 109.324 109.028 0.296 1
1 1111 . 15 1 1 A 85 85 LYS H H 115 9.550 9.202 0.348 1
1 1112 . 15 1 1 A 85 85 LYS HA H 115 4.527 4.687 -0.160 1
1 1121 . 15 1 1 A 85 85 LYS C C 115 175.690 175.699 -0.009 1
1 1122 . 15 1 1 A 85 85 LYS CA C 115 56.251 57.419 -1.168 1
1 1123 . 15 1 1 A 85 85 LYS CB C 115 34.217 35.911 -1.694 1
1 1127 . 15 1 1 A 85 85 LYS N N 115 119.240 119.855 -0.615 1
1 1128 . 15 1 1 A 86 86 THR H H 116 7.327 7.720 -0.393 1
1 1129 . 15 1 1 A 86 86 THR HA H 116 3.572 4.561 -0.989 1
1 1134 . 15 1 1 A 86 86 THR C C 116 170.519 173.944 -3.425 1
1 1135 . 15 1 1 A 86 86 THR CA C 116 59.094 60.833 -1.739 1
1 1136 . 15 1 1 A 86 86 THR CB C 116 68.191 71.109 -2.918 1
1 1138 . 15 1 1 A 86 86 THR N N 116 113.403 112.089 1.314 1
1 1139 . 15 1 1 A 87 87 ASN H H 117 8.035 8.673 -0.638 1
1 1140 . 15 1 1 A 87 87 ASN HA H 117 4.914 4.571 0.343 1
1 1145 . 15 1 1 A 87 87 ASN C C 117 175.798 175.710 0.088 1
1 1146 . 15 1 1 A 87 87 ASN CA C 117 52.062 54.782 -2.720 1
1 1147 . 15 1 1 A 87 87 ASN CB C 117 40.563 37.871 2.692 1
1 1149 . 15 1 1 A 87 87 ASN N N 117 118.907 126.260 -7.353 1
1 1151 . 15 1 1 A 88 88 GLU H H 118 8.362 7.573 0.789 1
1 1152 . 15 1 1 A 88 88 GLU HA H 118 4.116 4.456 -0.340 1
1 1157 . 15 1 1 A 88 88 GLU C C 118 175.935 175.488 0.447 1
1 1158 . 15 1 1 A 88 88 GLU CA C 118 55.589 56.056 -0.467 1
1 1159 . 15 1 1 A 88 88 GLU CB C 118 29.435 29.505 -0.070 1
1 1161 . 15 1 1 A 88 88 GLU N N 118 119.547 116.792 2.755 1
1 1162 . 15 1 1 A 89 89 TYR H H 119 7.918 8.108 -0.190 1
1 1163 . 15 1 1 A 89 89 TYR HA H 119 4.639 4.456 0.183 1
1 1170 . 15 1 1 A 89 89 TYR C C 119 175.750 175.149 0.601 1
1 1171 . 15 1 1 A 89 89 TYR CA C 119 59.270 58.921 0.349 1
1 1172 . 15 1 1 A 89 89 TYR CB C 119 38.274 36.859 1.415 1
1 1175 . 15 1 1 A 89 89 TYR N N 119 118.293 118.428 -0.135 1
1 1176 . 15 1 1 A 90 90 ALA H H 120 8.285 8.410 -0.125 1
1 1177 . 15 1 1 A 90 90 ALA HA H 120 4.273 4.271 0.002 1
1 1181 . 15 1 1 A 90 90 ALA C C 120 175.773 176.780 -1.007 1
1 1182 . 15 1 1 A 90 90 ALA CA C 120 52.014 50.934 1.080 1
1 1183 . 15 1 1 A 90 90 ALA CB C 120 19.920 17.389 2.531 1
1 1184 . 15 1 1 A 90 90 ALA N N 120 126.212 130.692 -4.480 1
1 11 . 16 1 1 A 2 2 SER HA H 32 4.469 4.722 -0.253 1
1 14 . 16 1 1 A 2 2 SER C C 32 174.865 174.161 0.704 1
1 15 . 16 1 1 A 2 2 SER CA C 32 58.680 58.547 0.133 1
1 16 . 16 1 1 A 2 2 SER CB C 32 63.805 65.835 -2.030 1
1 17 . 16 1 1 A 3 3 GLY H H 33 8.513 7.477 1.036 1
1 18 . 16 1 1 A 3 3 GLY HA2 H 33 3.972 4.024 -0.052 1
1 19 . 16 1 1 A 3 3 GLY HA3 H 33 3.972 4.027 -0.055 1
1 20 . 16 1 1 A 3 3 GLY C C 33 173.735 171.243 2.492 1
1 21 . 16 1 1 A 3 3 GLY CA C 33 45.132 45.616 -0.484 1
1 22 . 16 1 1 A 3 3 GLY N N 33 110.526 105.216 5.310 1
1 23 . 16 1 1 A 4 4 LEU H H 34 8.145 8.438 -0.293 1
1 24 . 16 1 1 A 4 4 LEU HA H 34 4.599 4.823 -0.224 1
1 34 . 16 1 1 A 4 4 LEU C C 34 175.201 176.468 -1.267 1
1 35 . 16 1 1 A 4 4 LEU CA C 34 53.002 51.635 1.367 1
1 36 . 16 1 1 A 4 4 LEU CB C 34 41.772 45.555 -3.783 1
1 40 . 16 1 1 A 4 4 LEU N N 34 122.423 121.036 1.387 1
1 41 . 16 1 1 A 5 5 PRO HA H 35 4.551 4.293 0.258 1
1 48 . 16 1 1 A 5 5 PRO C C 35 176.487 177.520 -1.033 1
1 49 . 16 1 1 A 5 5 PRO CA C 35 62.771 64.379 -1.608 1
1 50 . 16 1 1 A 5 5 PRO CB C 35 32.488 31.927 0.561 1
1 53 . 16 1 1 A 6 6 THR H H 36 8.447 7.981 0.466 1
1 54 . 16 1 1 A 6 6 THR HA H 36 4.445 3.944 0.501 1
1 59 . 16 1 1 A 6 6 THR C C 36 174.231 173.140 1.091 1
1 60 . 16 1 1 A 6 6 THR CA C 36 61.727 63.648 -1.921 1
1 61 . 16 1 1 A 6 6 THR CB C 36 69.213 67.909 1.304 1
1 63 . 16 1 1 A 6 6 THR N N 36 111.916 113.087 -1.171 1
1 64 . 16 1 1 A 7 7 THR H H 37 7.303 7.540 -0.237 1
1 65 . 16 1 1 A 7 7 THR HA H 37 5.232 4.993 0.239 1
1 70 . 16 1 1 A 7 7 THR C C 37 175.848 174.644 1.204 1
1 71 . 16 1 1 A 7 7 THR CA C 37 58.599 59.484 -0.885 1
1 72 . 16 1 1 A 7 7 THR CB C 37 71.971 72.268 -0.297 1
1 74 . 16 1 1 A 7 7 THR N N 37 110.288 110.822 -0.534 1
1 75 . 16 1 1 A 8 8 LEU H H 38 9.065 8.526 0.539 1
1 76 . 16 1 1 A 8 8 LEU HA H 38 3.829 3.907 -0.078 1
1 86 . 16 1 1 A 8 8 LEU C C 38 177.964 178.862 -0.898 1
1 87 . 16 1 1 A 8 8 LEU CA C 38 57.613 57.863 -0.250 1
1 88 . 16 1 1 A 8 8 LEU CB C 38 41.058 41.382 -0.324 1
1 92 . 16 1 1 A 8 8 LEU N N 38 122.441 123.836 -1.395 1
1 93 . 16 1 1 A 9 9 GLY H H 39 8.753 8.351 0.402 1
1 94 . 16 1 1 A 9 9 GLY HA2 H 39 3.969 3.818 0.151 1
1 95 . 16 1 1 A 9 9 GLY HA3 H 39 3.769 3.818 -0.049 1
1 96 . 16 1 1 A 9 9 GLY C C 39 176.615 176.403 0.212 1
1 97 . 16 1 1 A 9 9 GLY CA C 39 47.314 46.992 0.322 1
1 98 . 16 1 1 A 9 9 GLY N N 39 104.356 107.087 -2.731 1
1 99 . 16 1 1 A 10 10 LYS H H 40 7.341 7.636 -0.295 1
1 100 . 16 1 1 A 10 10 LYS HA H 40 4.241 4.076 0.165 1
1 109 . 16 1 1 A 10 10 LYS C C 40 179.292 179.314 -0.022 1
1 110 . 16 1 1 A 10 10 LYS CA C 40 58.108 59.226 -1.118 1
1 111 . 16 1 1 A 10 10 LYS CB C 40 32.346 32.417 -0.071 1
1 115 . 16 1 1 A 10 10 LYS N N 40 120.741 122.430 -1.689 1
1 116 . 16 1 1 A 11 11 LEU H H 41 8.033 7.502 0.531 1
1 117 . 16 1 1 A 11 11 LEU HA H 41 4.059 4.003 0.056 1
1 127 . 16 1 1 A 11 11 LEU C C 41 177.253 177.975 -0.722 1
1 128 . 16 1 1 A 11 11 LEU CA C 41 57.978 57.593 0.385 1
1 129 . 16 1 1 A 11 11 LEU CB C 41 41.760 41.775 -0.015 1
1 133 . 16 1 1 A 11 11 LEU N N 41 121.501 121.588 -0.087 1
1 134 . 16 1 1 A 12 12 ASP H H 42 9.025 8.326 0.699 1
1 135 . 16 1 1 A 12 12 ASP HA H 42 4.045 4.232 -0.187 1
1 138 . 16 1 1 A 12 12 ASP C C 42 176.536 179.009 -2.473 1
1 139 . 16 1 1 A 12 12 ASP CA C 42 58.740 57.948 0.792 1
1 140 . 16 1 1 A 12 12 ASP CB C 42 44.783 42.440 2.343 1
1 141 . 16 1 1 A 12 12 ASP N N 42 119.776 119.197 0.579 1
1 142 . 16 1 1 A 13 13 GLU H H 43 7.253 8.303 -1.050 1
1 143 . 16 1 1 A 13 13 GLU HA H 43 3.869 4.078 -0.209 1
1 148 . 16 1 1 A 13 13 GLU C C 43 178.916 178.206 0.710 1
1 149 . 16 1 1 A 13 13 GLU CA C 43 59.511 59.154 0.357 1
1 150 . 16 1 1 A 13 13 GLU CB C 43 30.131 29.478 0.653 1
1 152 . 16 1 1 A 13 13 GLU N N 43 116.304 119.261 -2.957 1
1 153 . 16 1 1 A 14 14 ARG H H 44 7.234 7.470 -0.236 1
1 154 . 16 1 1 A 14 14 ARG HA H 44 3.920 4.104 -0.184 1
1 163 . 16 1 1 A 14 14 ARG C C 44 177.609 179.195 -1.586 1
1 164 . 16 1 1 A 14 14 ARG CA C 44 58.607 58.908 -0.301 1
1 165 . 16 1 1 A 14 14 ARG CB C 44 30.304 29.734 0.570 1
1 168 . 16 1 1 A 14 14 ARG N N 44 118.267 120.173 -1.906 1
1 171 . 16 1 1 A 15 15 LEU H H 45 8.734 8.534 0.200 1
1 172 . 16 1 1 A 15 15 LEU HA H 45 3.809 4.023 -0.214 1
1 182 . 16 1 1 A 15 15 LEU C C 45 179.204 179.330 -0.126 1
1 183 . 16 1 1 A 15 15 LEU CA C 45 58.248 58.177 0.071 1
1 184 . 16 1 1 A 15 15 LEU CB C 45 42.076 41.485 0.591 1
1 188 . 16 1 1 A 15 15 LEU N N 45 117.856 119.676 -1.820 1
1 189 . 16 1 1 A 16 16 ARG H H 46 8.280 8.508 -0.228 1
1 190 . 16 1 1 A 16 16 ARG HA H 46 3.863 4.168 -0.305 1
1 200 . 16 1 1 A 16 16 ARG C C 46 179.432 179.017 0.415 1
1 201 . 16 1 1 A 16 16 ARG CA C 46 60.779 59.556 1.223 1
1 202 . 16 1 1 A 16 16 ARG CB C 46 29.824 29.832 -0.008 1
1 205 . 16 1 1 A 16 16 ARG N N 46 115.954 119.455 -3.501 1
1 209 . 16 1 1 A 17 17 ASN H H 47 7.433 8.129 -0.696 1
1 210 . 16 1 1 A 17 17 ASN HA H 47 4.458 4.562 -0.104 1
1 215 . 16 1 1 A 17 17 ASN C C 47 177.657 178.102 -0.445 1
1 216 . 16 1 1 A 17 17 ASN CA C 47 56.297 56.180 0.117 1
1 217 . 16 1 1 A 17 17 ASN CB C 47 38.540 38.341 0.199 1
1 219 . 16 1 1 A 17 17 ASN N N 47 118.514 117.648 0.866 1
1 221 . 16 1 1 A 18 18 TYR H H 48 8.945 8.459 0.486 1
1 222 . 16 1 1 A 18 18 TYR HA H 48 4.184 4.298 -0.114 1
1 229 . 16 1 1 A 18 18 TYR C C 48 177.806 178.294 -0.488 1
1 230 . 16 1 1 A 18 18 TYR CA C 48 58.651 61.289 -2.638 1
1 231 . 16 1 1 A 18 18 TYR CB C 48 36.527 37.767 -1.240 1
1 234 . 16 1 1 A 18 18 TYR N N 48 121.714 119.457 2.257 1
1 235 . 16 1 1 A 19 19 LEU H H 49 8.293 8.339 -0.046 1
1 236 . 16 1 1 A 19 19 LEU HA H 49 3.410 3.607 -0.197 1
1 246 . 16 1 1 A 19 19 LEU C C 49 179.153 178.743 0.410 1
1 247 . 16 1 1 A 19 19 LEU CA C 49 57.822 57.957 -0.135 1
1 248 . 16 1 1 A 19 19 LEU CB C 49 41.929 41.658 0.271 1
1 252 . 16 1 1 A 19 19 LEU N N 49 119.284 120.486 -1.202 1
1 253 . 16 1 1 A 20 20 LYS H H 50 7.322 7.548 -0.226 1
1 254 . 16 1 1 A 20 20 LYS HA H 50 3.893 3.934 -0.041 1
1 263 . 16 1 1 A 20 20 LYS C C 50 177.980 179.720 -1.740 1
1 264 . 16 1 1 A 20 20 LYS CA C 50 59.104 59.988 -0.884 1
1 265 . 16 1 1 A 20 20 LYS CB C 50 32.348 31.958 0.390 1
1 269 . 16 1 1 A 20 20 LYS N N 50 117.005 117.697 -0.692 1
1 270 . 16 1 1 A 21 21 LYS H H 51 7.435 8.276 -0.841 1
1 271 . 16 1 1 A 21 21 LYS HA H 51 4.080 4.023 0.057 1
1 280 . 16 1 1 A 21 21 LYS C C 51 178.971 178.267 0.704 1
1 281 . 16 1 1 A 21 21 LYS CA C 51 57.418 58.803 -1.385 1
1 282 . 16 1 1 A 21 21 LYS CB C 51 32.675 32.409 0.266 1
1 286 . 16 1 1 A 21 21 LYS N N 51 115.946 118.200 -2.254 1
1 287 . 16 1 1 A 22 22 GLY H H 52 8.290 7.972 0.318 1
1 288 . 16 1 1 A 22 22 GLY HA2 H 52 3.897 3.993 -0.096 1
1 289 . 16 1 1 A 22 22 GLY HA3 H 52 4.181 4.073 0.108 1
1 290 . 16 1 1 A 22 22 GLY C C 52 173.610 174.018 -0.408 1
1 291 . 16 1 1 A 22 22 GLY CA C 52 45.088 45.248 -0.160 1
1 292 . 16 1 1 A 22 22 GLY N N 52 105.432 107.760 -2.328 1
1 293 . 16 1 1 A 23 23 THR H H 53 7.148 7.574 -0.426 1
1 294 . 16 1 1 A 23 23 THR HA H 53 4.838 4.476 0.362 1
1 300 . 16 1 1 A 23 23 THR C C 53 174.444 174.971 -0.527 1
1 301 . 16 1 1 A 23 23 THR CA C 53 59.766 60.199 -0.433 1
1 302 . 16 1 1 A 23 23 THR CB C 53 72.471 71.548 0.923 1
1 304 . 16 1 1 A 23 23 THR N N 53 107.608 112.425 -4.817 1
1 305 . 16 1 1 A 24 24 LYS H H 54 8.414 8.507 -0.093 1
1 306 . 16 1 1 A 24 24 LYS HA H 54 4.355 4.148 0.207 1
1 315 . 16 1 1 A 24 24 LYS C C 54 177.632 176.795 0.837 1
1 316 . 16 1 1 A 24 24 LYS CA C 54 57.393 58.178 -0.785 1
1 317 . 16 1 1 A 24 24 LYS CB C 54 32.806 32.893 -0.087 1
1 321 . 16 1 1 A 24 24 LYS N N 54 118.924 120.284 -1.360 1
1 322 . 16 1 1 A 25 25 ASN H H 55 7.823 7.892 -0.069 1
1 323 . 16 1 1 A 25 25 ASN HA H 55 4.992 4.945 0.047 1
1 328 . 16 1 1 A 25 25 ASN C C 55 174.882 175.219 -0.337 1
1 329 . 16 1 1 A 25 25 ASN CA C 55 51.540 52.834 -1.294 1
1 330 . 16 1 1 A 25 25 ASN CB C 55 38.209 40.480 -2.271 1
1 332 . 16 1 1 A 25 25 ASN N N 55 116.576 115.466 1.110 1
1 334 . 16 1 1 A 26 26 SER H H 56 8.557 8.975 -0.418 1
1 335 . 16 1 1 A 26 26 SER HA H 56 4.145 4.351 -0.206 1
1 338 . 16 1 1 A 26 26 SER C C 56 176.886 176.225 0.661 1
1 339 . 16 1 1 A 26 26 SER CA C 56 61.051 61.389 -0.338 1
1 340 . 16 1 1 A 26 26 SER CB C 56 62.398 62.674 -0.276 1
1 341 . 16 1 1 A 26 26 SER N N 56 118.968 121.484 -2.516 1
1 342 . 16 1 1 A 27 27 ALA H H 57 8.133 8.162 -0.029 1
1 343 . 16 1 1 A 27 27 ALA HA H 57 4.277 4.257 0.020 1
1 347 . 16 1 1 A 27 27 ALA C C 57 177.779 178.494 -0.715 1
1 348 . 16 1 1 A 27 27 ALA CA C 57 54.020 53.824 0.196 1
1 349 . 16 1 1 A 27 27 ALA CB C 57 18.258 18.407 -0.149 1
1 350 . 16 1 1 A 27 27 ALA N N 57 125.334 122.666 2.668 1
1 351 . 16 1 1 A 28 28 GLN H H 58 7.113 8.292 -1.179 1
1 352 . 16 1 1 A 28 28 GLN HA H 58 4.262 4.243 0.019 1
1 359 . 16 1 1 A 28 28 GLN C C 58 174.984 175.859 -0.875 1
1 360 . 16 1 1 A 28 28 GLN CA C 58 56.272 56.576 -0.304 1
1 361 . 16 1 1 A 28 28 GLN CB C 58 28.627 27.851 0.776 1
1 364 . 16 1 1 A 28 28 GLN N N 58 112.472 114.182 -1.710 1
1 366 . 16 1 1 A 29 29 PHE H H 59 7.361 7.605 -0.244 1
1 367 . 16 1 1 A 29 29 PHE HA H 59 4.622 4.703 -0.081 1
1 375 . 16 1 1 A 29 29 PHE C C 59 173.987 175.708 -1.721 1
1 376 . 16 1 1 A 29 29 PHE CA C 59 59.534 58.618 0.916 1
1 377 . 16 1 1 A 29 29 PHE CB C 59 38.939 40.490 -1.551 1
1 381 . 16 1 1 A 29 29 PHE N N 59 118.258 119.866 -1.608 1
1 382 . 16 1 1 A 30 30 GLU H H 60 9.228 9.567 -0.339 1
1 383 . 16 1 1 A 30 30 GLU HA H 60 4.479 4.664 -0.185 1
1 388 . 16 1 1 A 30 30 GLU C C 60 176.282 175.983 0.299 1
1 389 . 16 1 1 A 30 30 GLU CA C 60 57.063 57.494 -0.431 1
1 390 . 16 1 1 A 30 30 GLU CB C 60 33.512 32.859 0.653 1
1 392 . 16 1 1 A 30 30 GLU N N 60 125.247 124.513 0.734 1
1 393 . 16 1 1 A 31 31 LYS H H 61 7.998 7.724 0.274 1
1 394 . 16 1 1 A 31 31 LYS HA H 61 5.074 4.850 0.224 1
1 403 . 16 1 1 A 31 31 LYS C C 61 172.325 174.602 -2.277 1
1 404 . 16 1 1 A 31 31 LYS CA C 61 54.881 55.215 -0.334 1
1 405 . 16 1 1 A 31 31 LYS CB C 61 35.683 35.600 0.083 1
1 409 . 16 1 1 A 31 31 LYS N N 61 113.709 116.171 -2.462 1
1 410 . 16 1 1 A 32 32 MET H H 62 9.051 9.162 -0.111 1
1 411 . 16 1 1 A 32 32 MET HA H 62 5.630 5.428 0.202 1
1 419 . 16 1 1 A 32 32 MET C C 62 172.898 174.344 -1.446 1
1 420 . 16 1 1 A 32 32 MET CA C 62 53.043 53.270 -0.227 1
1 421 . 16 1 1 A 32 32 MET CB C 62 35.214 35.668 -0.454 1
1 424 . 16 1 1 A 32 32 MET N N 62 118.635 118.219 0.416 1
1 425 . 16 1 1 A 33 33 VAL H H 63 9.186 8.633 0.553 1
1 426 . 16 1 1 A 33 33 VAL HA H 63 4.700 4.823 -0.123 1
1 434 . 16 1 1 A 33 33 VAL C C 63 174.133 173.379 0.754 1
1 435 . 16 1 1 A 33 33 VAL CA C 63 61.351 59.832 1.519 1
1 436 . 16 1 1 A 33 33 VAL CB C 63 34.651 35.496 -0.845 1
1 439 . 16 1 1 A 33 33 VAL N N 63 122.441 118.999 3.442 1
1 440 . 16 1 1 A 34 34 ILE H H 64 9.244 8.876 0.368 1
1 441 . 16 1 1 A 34 34 ILE HA H 64 4.302 4.711 -0.409 1
1 451 . 16 1 1 A 34 34 ILE C C 64 174.924 174.452 0.472 1
1 452 . 16 1 1 A 34 34 ILE CA C 64 60.422 59.615 0.807 1
1 453 . 16 1 1 A 34 34 ILE CB C 64 41.255 41.377 -0.122 1
1 457 . 16 1 1 A 34 34 ILE N N 64 127.876 127.339 0.537 1
1 458 . 16 1 1 A 35 35 LEU H H 65 9.117 9.169 -0.052 1
1 459 . 16 1 1 A 35 35 LEU HA H 65 5.531 5.591 -0.060 1
1 469 . 16 1 1 A 35 35 LEU C C 65 178.538 176.147 2.391 1
1 470 . 16 1 1 A 35 35 LEU CA C 65 53.047 53.122 -0.075 1
1 471 . 16 1 1 A 35 35 LEU CB C 65 43.797 44.291 -0.494 1
1 475 . 16 1 1 A 35 35 LEU N N 65 125.572 127.356 -1.784 1
1 476 . 16 1 1 A 36 36 THR H H 66 8.634 8.874 -0.240 1
1 477 . 16 1 1 A 36 36 THR HA H 66 5.212 5.300 -0.088 1
1 482 . 16 1 1 A 36 36 THR C C 66 174.918 174.389 0.529 1
1 483 . 16 1 1 A 36 36 THR CA C 66 59.374 59.528 -0.154 1
1 484 . 16 1 1 A 36 36 THR CB C 66 72.100 71.440 0.660 1
1 486 . 16 1 1 A 36 36 THR N N 66 112.840 114.570 -1.730 1
1 487 . 16 1 1 A 37 37 GLU H H 67 8.580 8.480 0.100 1
1 488 . 16 1 1 A 37 37 GLU HA H 67 4.469 4.134 0.335 1
1 493 . 16 1 1 A 37 37 GLU C C 67 177.333 176.888 0.445 1
1 494 . 16 1 1 A 37 37 GLU CA C 67 57.348 56.310 1.038 1
1 495 . 16 1 1 A 37 37 GLU CB C 67 31.357 30.551 0.806 1
1 497 . 16 1 1 A 37 37 GLU N N 67 118.675 121.376 -2.701 1
1 498 . 16 1 1 A 38 38 ASN H H 68 8.580 9.259 -0.679 1
1 499 . 16 1 1 A 38 38 ASN HA H 68 3.768 4.533 -0.765 1
1 504 . 16 1 1 A 38 38 ASN C C 68 172.921 174.612 -1.691 1
1 505 . 16 1 1 A 38 38 ASN CA C 68 54.686 54.597 0.089 1
1 506 . 16 1 1 A 38 38 ASN CB C 68 36.511 37.100 -0.589 1
1 508 . 16 1 1 A 38 38 ASN N N 68 114.341 116.946 -2.605 1
1 510 . 16 1 1 A 39 39 LYS H H 69 7.891 8.707 -0.816 1
1 511 . 16 1 1 A 39 39 LYS HA H 69 3.936 3.865 0.071 1
1 520 . 16 1 1 A 39 39 LYS C C 69 177.032 176.200 0.832 1
1 521 . 16 1 1 A 39 39 LYS CA C 69 56.758 57.519 -0.761 1
1 522 . 16 1 1 A 39 39 LYS CB C 69 28.099 29.354 -1.255 1
1 526 . 16 1 1 A 39 39 LYS N N 69 107.932 109.817 -1.885 1
1 527 . 16 1 1 A 40 40 GLY H H 70 6.998 7.709 -0.711 1
1 528 . 16 1 1 A 40 40 GLY HA2 H 70 4.362 3.860 0.502 1
1 529 . 16 1 1 A 40 40 GLY HA3 H 70 3.875 4.011 -0.136 1
1 530 . 16 1 1 A 40 40 GLY C C 70 173.763 171.967 1.796 1
1 531 . 16 1 1 A 40 40 GLY CA C 70 46.628 45.692 0.936 1
1 532 . 16 1 1 A 40 40 GLY N N 70 107.011 107.343 -0.332 1
1 533 . 16 1 1 A 41 41 TYR H H 71 7.679 8.506 -0.827 1
1 534 . 16 1 1 A 41 41 TYR HA H 71 5.097 5.383 -0.286 1
1 541 . 16 1 1 A 41 41 TYR C C 71 174.452 172.912 1.540 1
1 542 . 16 1 1 A 41 41 TYR CA C 71 57.730 56.345 1.385 1
1 543 . 16 1 1 A 41 41 TYR CB C 71 40.474 41.856 -1.382 1
1 546 . 16 1 1 A 41 41 TYR N N 71 129.822 123.626 6.196 1
1 547 . 16 1 1 A 42 42 TYR H H 72 9.101 8.486 0.615 1
1 548 . 16 1 1 A 42 42 TYR HA H 72 4.875 5.089 -0.214 1
1 555 . 16 1 1 A 42 42 TYR C C 72 174.448 174.586 -0.138 1
1 556 . 16 1 1 A 42 42 TYR CA C 72 56.114 56.666 -0.552 1
1 557 . 16 1 1 A 42 42 TYR CB C 72 41.115 43.077 -1.962 1
1 560 . 16 1 1 A 42 42 TYR N N 72 126.527 125.993 0.534 1
1 561 . 16 1 1 A 43 43 THR H H 73 9.022 8.809 0.213 1
1 562 . 16 1 1 A 43 43 THR HA H 73 4.876 5.156 -0.280 1
1 567 . 16 1 1 A 43 43 THR C C 73 174.791 172.119 2.672 1
1 568 . 16 1 1 A 43 43 THR CA C 73 62.821 59.812 3.009 1
1 569 . 16 1 1 A 43 43 THR CB C 73 68.769 71.648 -2.879 1
1 571 . 16 1 1 A 43 43 THR N N 73 120.810 116.031 4.779 1
1 572 . 16 1 1 A 44 44 VAL H H 74 9.233 9.006 0.227 1
1 573 . 16 1 1 A 44 44 VAL HA H 74 4.427 4.519 -0.092 1
1 581 . 16 1 1 A 44 44 VAL C C 74 175.094 174.631 0.463 1
1 582 . 16 1 1 A 44 44 VAL CA C 74 61.457 61.119 0.338 1
1 583 . 16 1 1 A 44 44 VAL CB C 74 35.669 35.208 0.461 1
1 586 . 16 1 1 A 44 44 VAL N N 74 129.156 126.308 2.848 1
1 587 . 16 1 1 A 45 45 TYR H H 75 9.384 8.804 0.580 1
1 588 . 16 1 1 A 45 45 TYR HA H 75 4.528 4.623 -0.095 1
1 595 . 16 1 1 A 45 45 TYR C C 75 176.497 176.136 0.361 1
1 596 . 16 1 1 A 45 45 TYR CA C 75 59.843 58.962 0.881 1
1 597 . 16 1 1 A 45 45 TYR CB C 75 38.245 39.201 -0.956 1
1 600 . 16 1 1 A 45 45 TYR N N 75 128.465 127.201 1.264 1
1 601 . 16 1 1 A 46 46 LEU H H 76 8.524 9.260 -0.736 1
1 602 . 16 1 1 A 46 46 LEU HA H 76 4.528 4.587 -0.059 1
1 612 . 16 1 1 A 46 46 LEU C C 76 177.001 178.117 -1.116 1
1 613 . 16 1 1 A 46 46 LEU CA C 76 55.010 54.790 0.220 1
1 614 . 16 1 1 A 46 46 LEU CB C 76 42.094 41.987 0.107 1
1 618 . 16 1 1 A 46 46 LEU N N 76 119.547 124.498 -4.951 1
1 619 . 16 1 1 A 47 47 ASN H H 77 8.599 8.321 0.278 1
1 620 . 16 1 1 A 47 47 ASN HA H 77 4.618 4.671 -0.053 1
1 625 . 16 1 1 A 47 47 ASN C C 77 173.844 175.372 -1.528 1
1 626 . 16 1 1 A 47 47 ASN CA C 77 54.045 55.378 -1.333 1
1 627 . 16 1 1 A 47 47 ASN CB C 77 37.058 38.893 -1.835 1
1 629 . 16 1 1 A 47 47 ASN N N 77 116.407 115.541 0.866 1
1 631 . 16 1 1 A 48 48 THR H H 78 7.429 7.649 -0.220 1
1 632 . 16 1 1 A 48 48 THR HA H 78 4.803 4.725 0.078 1
1 637 . 16 1 1 A 48 48 THR C C 78 175.201 171.623 3.578 1
1 638 . 16 1 1 A 48 48 THR CA C 78 58.577 58.483 0.094 1
1 639 . 16 1 1 A 48 48 THR CB C 78 70.494 72.013 -1.519 1
1 641 . 16 1 1 A 48 48 THR N N 78 111.551 110.306 1.245 1
1 642 . 16 1 1 A 49 49 PRO HA H 79 4.462 4.592 -0.130 1
1 649 . 16 1 1 A 49 49 PRO C C 79 176.670 176.756 -0.086 1
1 650 . 16 1 1 A 49 49 PRO CA C 79 62.384 62.678 -0.294 1
1 651 . 16 1 1 A 49 49 PRO CB C 79 32.205 32.098 0.107 1
1 654 . 16 1 1 A 50 50 LEU H H 80 9.049 8.406 0.643 1
1 655 . 16 1 1 A 50 50 LEU HA H 80 4.081 4.248 -0.167 1
1 665 . 16 1 1 A 50 50 LEU C C 80 176.758 176.622 0.136 1
1 666 . 16 1 1 A 50 50 LEU CA C 80 55.315 55.951 -0.636 1
1 667 . 16 1 1 A 50 50 LEU CB C 80 41.915 43.189 -1.274 1
1 671 . 16 1 1 A 50 50 LEU N N 80 126.341 124.245 2.096 1
1 672 . 16 1 1 A 51 51 ALA H H 81 8.415 8.842 -0.427 1
1 673 . 16 1 1 A 51 51 ALA HA H 81 4.187 4.402 -0.215 1
1 677 . 16 1 1 A 51 51 ALA C C 81 179.005 178.125 0.880 1
1 678 . 16 1 1 A 51 51 ALA CA C 81 52.851 52.276 0.575 1
1 679 . 16 1 1 A 51 51 ALA CB C 81 19.625 19.288 0.337 1
1 680 . 16 1 1 A 51 51 ALA N N 81 129.745 128.238 1.507 1
1 681 . 16 1 1 A 52 52 GLU H H 82 8.739 9.070 -0.331 1
1 682 . 16 1 1 A 52 52 GLU HA H 82 3.815 3.975 -0.160 1
1 687 . 16 1 1 A 52 52 GLU C C 82 178.591 178.029 0.562 1
1 688 . 16 1 1 A 52 52 GLU CA C 82 59.566 59.792 -0.226 1
1 689 . 16 1 1 A 52 52 GLU CB C 82 29.774 29.229 0.545 1
1 691 . 16 1 1 A 52 52 GLU N N 82 121.424 122.080 -0.656 1
1 692 . 16 1 1 A 53 53 ASP H H 83 8.511 8.168 0.343 1
1 693 . 16 1 1 A 53 53 ASP HA H 83 4.427 4.461 -0.034 1
1 696 . 16 1 1 A 53 53 ASP C C 83 177.306 177.117 0.189 1
1 697 . 16 1 1 A 53 53 ASP CA C 83 55.398 56.400 -1.002 1
1 698 . 16 1 1 A 53 53 ASP CB C 83 39.430 40.564 -1.134 1
1 699 . 16 1 1 A 53 53 ASP N N 83 114.043 118.736 -4.693 1
1 700 . 16 1 1 A 54 54 ARG H H 84 7.800 7.738 0.062 1
1 701 . 16 1 1 A 54 54 ARG HA H 84 4.527 4.462 0.065 1
1 710 . 16 1 1 A 54 54 ARG C C 84 176.966 177.931 -0.965 1
1 711 . 16 1 1 A 54 54 ARG CA C 84 55.915 56.454 -0.539 1
1 712 . 16 1 1 A 54 54 ARG CB C 84 31.804 31.160 0.644 1
1 715 . 16 1 1 A 54 54 ARG N N 84 118.147 117.371 0.776 1
1 718 . 16 1 1 A 55 55 LYS H H 85 7.335 8.187 -0.852 1
1 719 . 16 1 1 A 55 55 LYS HA H 85 3.551 4.043 -0.492 1
1 728 . 16 1 1 A 55 55 LYS C C 85 178.113 177.621 0.492 1
1 729 . 16 1 1 A 55 55 LYS CA C 85 59.887 58.878 1.009 1
1 730 . 16 1 1 A 55 55 LYS CB C 85 32.935 32.326 0.609 1
1 734 . 16 1 1 A 55 55 LYS N N 85 116.576 119.856 -3.280 1
1 735 . 16 1 1 A 56 56 ASN H H 86 8.347 7.317 1.030 1
1 736 . 16 1 1 A 56 56 ASN HA H 86 4.886 4.852 0.034 1
1 741 . 16 1 1 A 56 56 ASN C C 86 174.736 174.853 -0.117 1
1 742 . 16 1 1 A 56 56 ASN CA C 86 52.265 52.807 -0.542 1
1 743 . 16 1 1 A 56 56 ASN CB C 86 38.239 39.704 -1.465 1
1 745 . 16 1 1 A 56 56 ASN N N 86 114.341 115.681 -1.340 1
1 747 . 16 1 1 A 57 57 VAL H H 87 6.985 7.203 -0.218 1
1 748 . 16 1 1 A 57 57 VAL HA H 87 3.746 4.193 -0.447 1
1 756 . 16 1 1 A 57 57 VAL C C 87 175.380 176.021 -0.641 1
1 757 . 16 1 1 A 57 57 VAL CA C 87 63.723 62.032 1.691 1
1 758 . 16 1 1 A 57 57 VAL CB C 87 32.650 32.975 -0.325 1
1 761 . 16 1 1 A 57 57 VAL N N 87 121.424 121.338 0.086 1
1 762 . 16 1 1 A 58 58 GLU H H 88 8.777 8.479 0.298 1
1 763 . 16 1 1 A 58 58 GLU HA H 88 4.339 4.396 -0.057 1
1 768 . 16 1 1 A 58 58 GLU C C 88 176.364 176.357 0.007 1
1 769 . 16 1 1 A 58 58 GLU CA C 88 56.085 57.309 -1.224 1
1 770 . 16 1 1 A 58 58 GLU CB C 88 29.861 30.487 -0.626 1
1 772 . 16 1 1 A 58 58 GLU N N 88 129.489 127.152 2.337 1
1 773 . 16 1 1 A 59 59 LEU H H 89 8.230 8.711 -0.481 1
1 774 . 16 1 1 A 59 59 LEU HA H 89 4.299 4.799 -0.500 1
1 784 . 16 1 1 A 59 59 LEU C C 89 178.976 176.666 2.310 1
1 785 . 16 1 1 A 59 59 LEU CA C 89 54.651 53.239 1.412 1
1 786 . 16 1 1 A 59 59 LEU CB C 89 42.596 43.928 -1.332 1
1 790 . 16 1 1 A 59 59 LEU N N 89 124.395 123.625 0.770 1
1 791 . 16 1 1 A 60 60 LEU H H 90 7.777 9.221 -1.444 1
1 792 . 16 1 1 A 60 60 LEU HA H 90 4.135 4.344 -0.209 1
1 802 . 16 1 1 A 60 60 LEU C C 90 176.394 177.149 -0.755 1
1 803 . 16 1 1 A 60 60 LEU CA C 90 56.754 56.935 -0.181 1
1 804 . 16 1 1 A 60 60 LEU CB C 90 42.413 42.885 -0.472 1
1 808 . 16 1 1 A 60 60 LEU N N 90 119.734 125.741 -6.007 1
1 809 . 16 1 1 A 61 61 GLY H H 91 7.224 7.674 -0.450 1
1 810 . 16 1 1 A 61 61 GLY HA2 H 91 4.165 4.015 0.150 1
1 811 . 16 1 1 A 61 61 GLY HA3 H 91 3.899 4.036 -0.137 1
1 812 . 16 1 1 A 61 61 GLY C C 91 171.742 172.437 -0.695 1
1 813 . 16 1 1 A 61 61 GLY CA C 91 44.969 45.351 -0.382 1
1 814 . 16 1 1 A 61 61 GLY N N 91 103.707 104.115 -0.408 1
1 815 . 16 1 1 A 62 62 LYS H H 92 8.771 8.720 0.051 1
1 816 . 16 1 1 A 62 62 LYS HA H 92 4.150 4.376 -0.226 1
1 825 . 16 1 1 A 62 62 LYS C C 92 177.522 176.030 1.492 1
1 826 . 16 1 1 A 62 62 LYS CA C 92 56.750 56.027 0.723 1
1 827 . 16 1 1 A 62 62 LYS CB C 92 33.835 33.488 0.347 1
1 831 . 16 1 1 A 62 62 LYS N N 92 118.635 120.848 -2.213 1
1 832 . 16 1 1 A 63 63 MET H H 93 9.188 8.379 0.809 1
1 833 . 16 1 1 A 63 63 MET HA H 93 3.835 4.485 -0.650 1
1 841 . 16 1 1 A 63 63 MET C C 93 173.913 175.697 -1.784 1
1 842 . 16 1 1 A 63 63 MET CA C 93 59.275 53.924 5.351 1
1 843 . 16 1 1 A 63 63 MET CB C 93 31.483 30.982 0.501 1
1 846 . 16 1 1 A 63 63 MET N N 93 123.413 124.476 -1.063 1
1 847 . 16 1 1 A 64 64 TYR H H 94 9.421 8.510 0.911 1
1 848 . 16 1 1 A 64 64 TYR HA H 94 4.767 4.382 0.385 1
1 855 . 16 1 1 A 64 64 TYR C C 94 173.918 174.953 -1.035 1
1 856 . 16 1 1 A 64 64 TYR CA C 94 56.933 61.274 -4.341 1
1 857 . 16 1 1 A 64 64 TYR CB C 94 40.020 39.102 0.918 1
1 860 . 16 1 1 A 64 64 TYR N N 94 129.403 126.049 3.354 1
1 861 . 16 1 1 A 65 65 LYS H H 95 7.289 7.511 -0.222 1
1 862 . 16 1 1 A 65 65 LYS HA H 95 4.688 4.628 0.060 1
1 871 . 16 1 1 A 65 65 LYS C C 95 175.000 173.984 1.016 1
1 872 . 16 1 1 A 65 65 LYS CA C 95 55.841 55.530 0.311 1
1 873 . 16 1 1 A 65 65 LYS CB C 95 40.404 36.006 4.398 1
1 877 . 16 1 1 A 65 65 LYS N N 95 118.804 118.370 0.434 1
1 878 . 16 1 1 A 66 66 THR H H 96 8.727 8.099 0.628 1
1 879 . 16 1 1 A 66 66 THR HA H 96 5.149 5.090 0.059 1
1 885 . 16 1 1 A 66 66 THR C C 96 172.120 172.889 -0.769 1
1 886 . 16 1 1 A 66 66 THR CA C 96 62.226 60.705 1.521 1
1 887 . 16 1 1 A 66 66 THR CB C 96 71.787 71.907 -0.120 1
1 889 . 16 1 1 A 66 66 THR N N 96 116.235 118.852 -2.617 1
1 890 . 16 1 1 A 67 67 TYR H H 97 8.969 9.090 -0.121 1
1 891 . 16 1 1 A 67 67 TYR HA H 97 5.027 5.239 -0.212 1
1 898 . 16 1 1 A 67 67 TYR C C 97 175.077 174.664 0.413 1
1 899 . 16 1 1 A 67 67 TYR CA C 97 57.278 56.674 0.604 1
1 900 . 16 1 1 A 67 67 TYR CB C 97 42.054 42.915 -0.861 1
1 903 . 16 1 1 A 67 67 TYR N N 97 125.256 124.672 0.584 1
1 904 . 16 1 1 A 68 68 PHE H H 98 9.189 9.182 0.007 1
1 905 . 16 1 1 A 68 68 PHE HA H 98 5.177 5.285 -0.108 1
1 913 . 16 1 1 A 68 68 PHE C C 98 174.791 174.620 0.171 1
1 914 . 16 1 1 A 68 68 PHE CA C 98 57.825 56.680 1.145 1
1 915 . 16 1 1 A 68 68 PHE CB C 98 42.377 43.284 -0.907 1
1 919 . 16 1 1 A 68 68 PHE N N 98 118.574 119.589 -1.015 1
1 920 . 16 1 1 A 69 69 PHE H H 99 8.976 9.502 -0.526 1
1 921 . 16 1 1 A 69 69 PHE HA H 99 4.893 5.207 -0.314 1
1 929 . 16 1 1 A 69 69 PHE C C 99 176.386 175.459 0.927 1
1 930 . 16 1 1 A 69 69 PHE CA C 99 56.777 56.235 0.542 1
1 931 . 16 1 1 A 69 69 PHE CB C 99 41.371 42.523 -1.152 1
1 935 . 16 1 1 A 69 69 PHE N N 99 119.573 120.357 -0.784 1
1 936 . 16 1 1 A 70 70 LYS H H 100 9.479 8.715 0.764 1
1 937 . 16 1 1 A 70 70 LYS HA H 100 4.533 4.221 0.312 1
1 946 . 16 1 1 A 70 70 LYS C C 100 176.156 176.222 -0.066 1
1 947 . 16 1 1 A 70 70 LYS CA C 100 56.706 55.982 0.724 1
1 948 . 16 1 1 A 70 70 LYS CB C 100 33.667 33.102 0.565 1
1 952 . 16 1 1 A 70 70 LYS N N 100 125.614 123.389 2.225 1
1 953 . 16 1 1 A 71 71 LYS H H 101 8.068 8.499 -0.431 1
1 954 . 16 1 1 A 71 71 LYS HA H 101 4.188 4.156 0.032 1
1 963 . 16 1 1 A 71 71 LYS C C 101 177.655 176.956 0.699 1
1 964 . 16 1 1 A 71 71 LYS CA C 101 58.238 56.936 1.302 1
1 965 . 16 1 1 A 71 71 LYS CB C 101 32.342 32.071 0.271 1
1 969 . 16 1 1 A 71 71 LYS N N 101 121.057 120.923 0.134 1
1 970 . 16 1 1 A 72 72 GLY H H 102 8.899 9.139 -0.240 1
1 971 . 16 1 1 A 72 72 GLY HA2 H 102 4.196 3.909 0.287 1
1 972 . 16 1 1 A 72 72 GLY HA3 H 102 3.815 3.921 -0.106 1
1 973 . 16 1 1 A 72 72 GLY C C 102 173.997 173.818 0.179 1
1 974 . 16 1 1 A 72 72 GLY CA C 102 45.802 46.049 -0.247 1
1 975 . 16 1 1 A 72 72 GLY N N 102 114.112 112.475 1.637 1
1 976 . 16 1 1 A 73 73 GLU H H 103 8.047 8.101 -0.054 1
1 977 . 16 1 1 A 73 73 GLU HA H 103 4.764 4.965 -0.201 1
1 982 . 16 1 1 A 73 73 GLU C C 103 175.975 175.184 0.791 1
1 983 . 16 1 1 A 73 73 GLU CA C 103 56.295 54.559 1.736 1
1 984 . 16 1 1 A 73 73 GLU CB C 103 31.153 33.527 -2.374 1
1 986 . 16 1 1 A 73 73 GLU N N 103 119.538 119.693 -0.155 1
1 987 . 16 1 1 A 74 74 SER H H 104 8.742 8.760 -0.018 1
1 988 . 16 1 1 A 74 74 SER HA H 104 4.598 4.847 -0.249 1
1 991 . 16 1 1 A 74 74 SER C C 104 171.916 173.917 -2.001 1
1 992 . 16 1 1 A 74 74 SER CA C 104 58.363 57.331 1.032 1
1 993 . 16 1 1 A 74 74 SER CB C 104 64.025 64.757 -0.732 1
1 994 . 16 1 1 A 74 74 SER N N 104 115.383 114.322 1.061 1
1 995 . 16 1 1 A 75 75 LYS H H 105 7.608 7.618 -0.010 1
1 996 . 16 1 1 A 75 75 LYS HA H 105 5.588 5.160 0.428 1
1 1005 . 16 1 1 A 75 75 LYS C C 105 176.017 174.633 1.384 1
1 1006 . 16 1 1 A 75 75 LYS CA C 105 54.548 55.546 -0.998 1
1 1007 . 16 1 1 A 75 75 LYS CB C 105 35.211 36.167 -0.956 1
1 1011 . 16 1 1 A 75 75 LYS N N 105 121.040 123.247 -2.207 1
1 1012 . 16 1 1 A 76 76 SER H H 106 8.231 8.938 -0.707 1
1 1013 . 16 1 1 A 76 76 SER HA H 106 3.377 3.796 -0.419 1
1 1016 . 16 1 1 A 76 76 SER C C 106 172.571 174.410 -1.839 1
1 1017 . 16 1 1 A 76 76 SER CA C 106 59.650 57.593 2.057 1
1 1018 . 16 1 1 A 76 76 SER CB C 106 64.857 64.400 0.457 1
1 1019 . 16 1 1 A 76 76 SER N N 106 121.783 118.382 3.401 1
1 1020 . 16 1 1 A 77 77 SER H H 107 8.333 9.238 -0.905 1
1 1021 . 16 1 1 A 77 77 SER HA H 107 5.025 4.662 0.363 1
1 1024 . 16 1 1 A 77 77 SER C C 107 174.507 173.481 1.026 1
1 1025 . 16 1 1 A 77 77 SER CA C 107 57.561 58.843 -1.282 1
1 1026 . 16 1 1 A 77 77 SER CB C 107 65.330 65.707 -0.377 1
1 1027 . 16 1 1 A 77 77 SER N N 107 106.276 116.488 -10.212 1
1 1028 . 16 1 1 A 78 78 TYR H H 108 7.825 7.400 0.425 1
1 1029 . 16 1 1 A 78 78 TYR HA H 108 4.754 4.805 -0.051 1
1 1036 . 16 1 1 A 78 78 TYR C C 108 171.725 173.546 -1.821 1
1 1037 . 16 1 1 A 78 78 TYR CA C 108 57.778 57.438 0.340 1
1 1038 . 16 1 1 A 78 78 TYR CB C 108 43.223 41.708 1.515 1
1 1041 . 16 1 1 A 78 78 TYR N N 108 126.289 119.521 6.768 1
1 1042 . 16 1 1 A 79 79 VAL H H 109 7.760 8.225 -0.465 1
1 1043 . 16 1 1 A 79 79 VAL HA H 109 5.215 4.912 0.303 1
1 1051 . 16 1 1 A 79 79 VAL C C 109 172.526 173.010 -0.484 1
1 1052 . 16 1 1 A 79 79 VAL CA C 109 59.193 59.829 -0.636 1
1 1053 . 16 1 1 A 79 79 VAL CB C 109 36.173 35.595 0.578 1
1 1056 . 16 1 1 A 79 79 VAL N N 109 127.825 125.311 2.514 1
1 1057 . 16 1 1 A 80 80 ILE H H 110 8.616 8.474 0.142 1
1 1058 . 16 1 1 A 80 80 ILE HA H 110 4.011 4.532 -0.521 1
1 1068 . 16 1 1 A 80 80 ILE C C 110 174.690 174.497 0.193 1
1 1069 . 16 1 1 A 80 80 ILE CA C 110 60.922 59.884 1.038 1
1 1070 . 16 1 1 A 80 80 ILE CB C 110 42.047 41.477 0.570 1
1 1074 . 16 1 1 A 80 80 ILE N N 110 124.001 125.572 -1.571 1
1 1075 . 16 1 1 A 81 81 ASN H H 111 8.937 8.448 0.489 1
1 1076 . 16 1 1 A 81 81 ASN HA H 111 4.760 5.050 -0.290 1
1 1081 . 16 1 1 A 81 81 ASN C C 111 175.326 175.434 -0.108 1
1 1082 . 16 1 1 A 81 81 ASN CA C 111 53.600 52.295 1.305 1
1 1083 . 16 1 1 A 81 81 ASN CB C 111 40.412 39.495 0.917 1
1 1085 . 16 1 1 A 81 81 ASN N N 111 126.229 125.602 0.627 1
1 1087 . 16 1 1 A 82 82 GLY H H 112 7.984 8.204 -0.220 1
1 1088 . 16 1 1 A 82 82 GLY HA2 H 112 4.457 4.189 0.268 1
1 1089 . 16 1 1 A 82 82 GLY HA3 H 112 3.847 4.214 -0.367 1
1 1090 . 16 1 1 A 82 82 GLY C C 112 171.875 171.291 0.584 1
1 1091 . 16 1 1 A 82 82 GLY CA C 112 43.303 45.087 -1.784 1
1 1092 . 16 1 1 A 82 82 GLY N N 112 110.894 109.243 1.651 1
1 1093 . 16 1 1 A 83 83 PRO HA H 113 4.609 4.458 0.151 1
1 1100 . 16 1 1 A 83 83 PRO C C 113 178.327 177.455 0.872 1
1 1101 . 16 1 1 A 83 83 PRO CA C 113 63.342 63.557 -0.215 1
1 1102 . 16 1 1 A 83 83 PRO CB C 113 32.232 31.806 0.426 1
1 1105 . 16 1 1 A 84 84 GLY H H 114 8.939 8.751 0.188 1
1 1106 . 16 1 1 A 84 84 GLY HA2 H 114 4.055 4.028 0.027 1
1 1107 . 16 1 1 A 84 84 GLY HA3 H 114 3.192 4.095 -0.903 1
1 1108 . 16 1 1 A 84 84 GLY C C 114 172.587 175.169 -2.582 1
1 1109 . 16 1 1 A 84 84 GLY CA C 114 44.667 45.467 -0.800 1
1 1110 . 16 1 1 A 84 84 GLY N N 114 109.324 111.445 -2.121 1
1 1111 . 16 1 1 A 85 85 LYS H H 115 9.550 8.318 1.232 1
1 1112 . 16 1 1 A 85 85 LYS HA H 115 4.527 3.975 0.552 1
1 1121 . 16 1 1 A 85 85 LYS C C 115 175.690 174.812 0.878 1
1 1122 . 16 1 1 A 85 85 LYS CA C 115 56.251 57.758 -1.507 1
1 1123 . 16 1 1 A 85 85 LYS CB C 115 34.217 31.738 2.479 1
1 1127 . 16 1 1 A 85 85 LYS N N 115 119.240 118.344 0.896 1
1 1128 . 16 1 1 A 86 86 THR H H 116 7.327 7.256 0.071 1
1 1129 . 16 1 1 A 86 86 THR HA H 116 3.572 3.753 -0.181 1
1 1134 . 16 1 1 A 86 86 THR C C 116 170.519 172.410 -1.891 1
1 1135 . 16 1 1 A 86 86 THR CA C 116 59.094 60.267 -1.173 1
1 1136 . 16 1 1 A 86 86 THR CB C 116 68.191 69.378 -1.187 1
1 1138 . 16 1 1 A 86 86 THR N N 116 113.403 110.618 2.785 1
1 1139 . 16 1 1 A 87 87 ASN H H 117 8.035 8.713 -0.678 1
1 1140 . 16 1 1 A 87 87 ASN HA H 117 4.914 4.725 0.189 1
1 1145 . 16 1 1 A 87 87 ASN C C 117 175.798 175.897 -0.099 1
1 1146 . 16 1 1 A 87 87 ASN CA C 117 52.062 55.121 -3.059 1
1 1147 . 16 1 1 A 87 87 ASN CB C 117 40.563 38.820 1.743 1
1 1149 . 16 1 1 A 87 87 ASN N N 117 118.907 122.721 -3.814 1
1 1151 . 16 1 1 A 88 88 GLU H H 118 8.362 7.526 0.836 1
1 1152 . 16 1 1 A 88 88 GLU HA H 118 4.116 4.345 -0.229 1
1 1157 . 16 1 1 A 88 88 GLU C C 118 175.935 175.613 0.322 1
1 1158 . 16 1 1 A 88 88 GLU CA C 118 55.589 56.011 -0.422 1
1 1159 . 16 1 1 A 88 88 GLU CB C 118 29.435 29.422 0.013 1
1 1161 . 16 1 1 A 88 88 GLU N N 118 119.547 116.582 2.965 1
1 1162 . 16 1 1 A 89 89 TYR H H 119 7.918 7.993 -0.075 1
1 1163 . 16 1 1 A 89 89 TYR HA H 119 4.639 4.610 0.029 1
1 1170 . 16 1 1 A 89 89 TYR C C 119 175.750 174.036 1.714 1
1 1171 . 16 1 1 A 89 89 TYR CA C 119 59.270 57.975 1.295 1
1 1172 . 16 1 1 A 89 89 TYR CB C 119 38.274 36.558 1.716 1
1 1175 . 16 1 1 A 89 89 TYR N N 119 118.293 118.144 0.149 1
1 1176 . 16 1 1 A 90 90 ALA H H 120 8.285 9.152 -0.867 1
1 1177 . 16 1 1 A 90 90 ALA HA H 120 4.273 4.749 -0.476 1
1 1181 . 16 1 1 A 90 90 ALA C C 120 175.773 175.573 0.200 1
1 1182 . 16 1 1 A 90 90 ALA CA C 120 52.014 50.922 1.092 1
1 1183 . 16 1 1 A 90 90 ALA CB C 120 19.920 19.403 0.517 1
1 1184 . 16 1 1 A 90 90 ALA N N 120 126.212 122.883 3.329 1
1 11 . 17 1 1 A 2 2 SER HA H 32 4.469 4.644 -0.175 1
1 14 . 17 1 1 A 2 2 SER C C 32 174.865 173.956 0.909 1
1 15 . 17 1 1 A 2 2 SER CA C 32 58.680 58.107 0.573 1
1 16 . 17 1 1 A 2 2 SER CB C 32 63.805 65.395 -1.590 1
1 17 . 17 1 1 A 3 3 GLY H H 33 8.513 7.539 0.974 1
1 18 . 17 1 1 A 3 3 GLY HA2 H 33 3.972 4.121 -0.149 1
1 19 . 17 1 1 A 3 3 GLY HA3 H 33 3.972 4.122 -0.150 1
1 20 . 17 1 1 A 3 3 GLY C C 33 173.735 171.474 2.261 1
1 21 . 17 1 1 A 3 3 GLY CA C 33 45.132 45.498 -0.366 1
1 22 . 17 1 1 A 3 3 GLY N N 33 110.526 108.126 2.400 1
1 23 . 17 1 1 A 4 4 LEU H H 34 8.145 8.395 -0.250 1
1 24 . 17 1 1 A 4 4 LEU HA H 34 4.599 4.823 -0.224 1
1 34 . 17 1 1 A 4 4 LEU C C 34 175.201 176.503 -1.302 1
1 35 . 17 1 1 A 4 4 LEU CA C 34 53.002 52.073 0.929 1
1 36 . 17 1 1 A 4 4 LEU CB C 34 41.772 44.943 -3.171 1
1 40 . 17 1 1 A 4 4 LEU N N 34 122.423 121.493 0.930 1
1 41 . 17 1 1 A 5 5 PRO HA H 35 4.551 4.284 0.267 1
1 48 . 17 1 1 A 5 5 PRO C C 35 176.487 177.548 -1.061 1
1 49 . 17 1 1 A 5 5 PRO CA C 35 62.771 66.233 -3.462 1
1 50 . 17 1 1 A 5 5 PRO CB C 35 32.488 31.195 1.293 1
1 53 . 17 1 1 A 6 6 THR H H 36 8.447 8.008 0.439 1
1 54 . 17 1 1 A 6 6 THR HA H 36 4.445 3.939 0.506 1
1 59 . 17 1 1 A 6 6 THR C C 36 174.231 173.315 0.916 1
1 60 . 17 1 1 A 6 6 THR CA C 36 61.727 63.137 -1.410 1
1 61 . 17 1 1 A 6 6 THR CB C 36 69.213 67.249 1.964 1
1 63 . 17 1 1 A 6 6 THR N N 36 111.916 111.476 0.440 1
1 64 . 17 1 1 A 7 7 THR H H 37 7.303 7.680 -0.377 1
1 65 . 17 1 1 A 7 7 THR HA H 37 5.232 4.986 0.246 1
1 70 . 17 1 1 A 7 7 THR C C 37 175.848 175.039 0.809 1
1 71 . 17 1 1 A 7 7 THR CA C 37 58.599 59.020 -0.421 1
1 72 . 17 1 1 A 7 7 THR CB C 37 71.971 71.337 0.634 1
1 74 . 17 1 1 A 7 7 THR N N 37 110.288 110.340 -0.052 1
1 75 . 17 1 1 A 8 8 LEU H H 38 9.065 8.748 0.317 1
1 76 . 17 1 1 A 8 8 LEU HA H 38 3.829 3.897 -0.068 1
1 86 . 17 1 1 A 8 8 LEU C C 38 177.964 179.009 -1.045 1
1 87 . 17 1 1 A 8 8 LEU CA C 38 57.613 58.062 -0.449 1
1 88 . 17 1 1 A 8 8 LEU CB C 38 41.058 41.426 -0.368 1
1 92 . 17 1 1 A 8 8 LEU N N 38 122.441 123.245 -0.804 1
1 93 . 17 1 1 A 9 9 GLY H H 39 8.753 7.809 0.944 1
1 94 . 17 1 1 A 9 9 GLY HA2 H 39 3.969 3.784 0.185 1
1 95 . 17 1 1 A 9 9 GLY HA3 H 39 3.769 3.789 -0.020 1
1 96 . 17 1 1 A 9 9 GLY C C 39 176.615 175.716 0.899 1
1 97 . 17 1 1 A 9 9 GLY CA C 39 47.314 47.145 0.169 1
1 98 . 17 1 1 A 9 9 GLY N N 39 104.356 107.131 -2.775 1
1 99 . 17 1 1 A 10 10 LYS H H 40 7.341 7.519 -0.178 1
1 100 . 17 1 1 A 10 10 LYS HA H 40 4.241 3.994 0.247 1
1 109 . 17 1 1 A 10 10 LYS C C 40 179.292 179.263 0.029 1
1 110 . 17 1 1 A 10 10 LYS CA C 40 58.108 59.325 -1.217 1
1 111 . 17 1 1 A 10 10 LYS CB C 40 32.346 32.108 0.238 1
1 115 . 17 1 1 A 10 10 LYS N N 40 120.741 122.283 -1.542 1
1 116 . 17 1 1 A 11 11 LEU H H 41 8.033 8.176 -0.143 1
1 117 . 17 1 1 A 11 11 LEU HA H 41 4.059 4.038 0.021 1
1 127 . 17 1 1 A 11 11 LEU C C 41 177.253 177.968 -0.715 1
1 128 . 17 1 1 A 11 11 LEU CA C 41 57.978 58.111 -0.133 1
1 129 . 17 1 1 A 11 11 LEU CB C 41 41.760 41.331 0.429 1
1 133 . 17 1 1 A 11 11 LEU N N 41 121.501 121.560 -0.059 1
1 134 . 17 1 1 A 12 12 ASP H H 42 9.025 8.607 0.418 1
1 135 . 17 1 1 A 12 12 ASP HA H 42 4.045 4.303 -0.258 1
1 138 . 17 1 1 A 12 12 ASP C C 42 176.536 178.418 -1.882 1
1 139 . 17 1 1 A 12 12 ASP CA C 42 58.740 58.011 0.729 1
1 140 . 17 1 1 A 12 12 ASP CB C 42 44.783 41.878 2.905 1
1 141 . 17 1 1 A 12 12 ASP N N 42 119.776 118.905 0.871 1
1 142 . 17 1 1 A 13 13 GLU H H 43 7.253 8.330 -1.077 1
1 143 . 17 1 1 A 13 13 GLU HA H 43 3.869 4.016 -0.147 1
1 148 . 17 1 1 A 13 13 GLU C C 43 178.916 178.898 0.018 1
1 149 . 17 1 1 A 13 13 GLU CA C 43 59.511 59.506 0.005 1
1 150 . 17 1 1 A 13 13 GLU CB C 43 30.131 29.211 0.920 1
1 152 . 17 1 1 A 13 13 GLU N N 43 116.304 118.865 -2.561 1
1 153 . 17 1 1 A 14 14 ARG H H 44 7.234 7.401 -0.167 1
1 154 . 17 1 1 A 14 14 ARG HA H 44 3.920 4.100 -0.180 1
1 163 . 17 1 1 A 14 14 ARG C C 44 177.609 179.043 -1.434 1
1 164 . 17 1 1 A 14 14 ARG CA C 44 58.607 59.203 -0.596 1
1 165 . 17 1 1 A 14 14 ARG CB C 44 30.304 29.938 0.366 1
1 168 . 17 1 1 A 14 14 ARG N N 44 118.267 119.722 -1.455 1
1 171 . 17 1 1 A 15 15 LEU H H 45 8.734 8.688 0.046 1
1 172 . 17 1 1 A 15 15 LEU HA H 45 3.809 4.366 -0.557 1
1 182 . 17 1 1 A 15 15 LEU C C 45 179.204 180.195 -0.991 1
1 183 . 17 1 1 A 15 15 LEU CA C 45 58.248 58.307 -0.059 1
1 184 . 17 1 1 A 15 15 LEU CB C 45 42.076 41.594 0.482 1
1 188 . 17 1 1 A 15 15 LEU N N 45 117.856 120.164 -2.308 1
1 189 . 17 1 1 A 16 16 ARG H H 46 8.280 8.922 -0.642 1
1 190 . 17 1 1 A 16 16 ARG HA H 46 3.863 4.198 -0.335 1
1 200 . 17 1 1 A 16 16 ARG C C 46 179.432 178.201 1.231 1
1 201 . 17 1 1 A 16 16 ARG CA C 46 60.779 58.199 2.580 1
1 202 . 17 1 1 A 16 16 ARG CB C 46 29.824 29.366 0.458 1
1 205 . 17 1 1 A 16 16 ARG N N 46 115.954 118.909 -2.955 1
1 209 . 17 1 1 A 17 17 ASN H H 47 7.433 7.652 -0.219 1
1 210 . 17 1 1 A 17 17 ASN HA H 47 4.458 4.462 -0.004 1
1 215 . 17 1 1 A 17 17 ASN C C 47 177.657 178.104 -0.447 1
1 216 . 17 1 1 A 17 17 ASN CA C 47 56.297 56.212 0.085 1
1 217 . 17 1 1 A 17 17 ASN CB C 47 38.540 37.937 0.603 1
1 219 . 17 1 1 A 17 17 ASN N N 47 118.514 118.164 0.350 1
1 221 . 17 1 1 A 18 18 TYR H H 48 8.945 8.349 0.596 1
1 222 . 17 1 1 A 18 18 TYR HA H 48 4.184 4.320 -0.136 1
1 229 . 17 1 1 A 18 18 TYR C C 48 177.806 178.219 -0.413 1
1 230 . 17 1 1 A 18 18 TYR CA C 48 58.651 60.658 -2.007 1
1 231 . 17 1 1 A 18 18 TYR CB C 48 36.527 38.138 -1.611 1
1 234 . 17 1 1 A 18 18 TYR N N 48 121.714 119.107 2.607 1
1 235 . 17 1 1 A 19 19 LEU H H 49 8.293 7.815 0.478 1
1 236 . 17 1 1 A 19 19 LEU HA H 49 3.410 3.368 0.042 1
1 246 . 17 1 1 A 19 19 LEU C C 49 179.153 179.155 -0.002 1
1 247 . 17 1 1 A 19 19 LEU CA C 49 57.822 57.782 0.040 1
1 248 . 17 1 1 A 19 19 LEU CB C 49 41.929 41.024 0.905 1
1 252 . 17 1 1 A 19 19 LEU N N 49 119.284 120.057 -0.773 1
1 253 . 17 1 1 A 20 20 LYS H H 50 7.322 8.034 -0.712 1
1 254 . 17 1 1 A 20 20 LYS HA H 50 3.893 3.883 0.010 1
1 263 . 17 1 1 A 20 20 LYS C C 50 177.980 179.563 -1.583 1
1 264 . 17 1 1 A 20 20 LYS CA C 50 59.104 60.072 -0.968 1
1 265 . 17 1 1 A 20 20 LYS CB C 50 32.348 32.028 0.320 1
1 269 . 17 1 1 A 20 20 LYS N N 50 117.005 117.812 -0.807 1
1 270 . 17 1 1 A 21 21 LYS H H 51 7.435 8.223 -0.788 1
1 271 . 17 1 1 A 21 21 LYS HA H 51 4.080 4.006 0.074 1
1 280 . 17 1 1 A 21 21 LYS C C 51 178.971 178.036 0.935 1
1 281 . 17 1 1 A 21 21 LYS CA C 51 57.418 58.862 -1.444 1
1 282 . 17 1 1 A 21 21 LYS CB C 51 32.675 32.318 0.357 1
1 286 . 17 1 1 A 21 21 LYS N N 51 115.946 119.340 -3.394 1
1 287 . 17 1 1 A 22 22 GLY H H 52 8.290 7.716 0.574 1
1 288 . 17 1 1 A 22 22 GLY HA2 H 52 3.897 4.114 -0.217 1
1 289 . 17 1 1 A 22 22 GLY HA3 H 52 4.181 4.139 0.042 1
1 290 . 17 1 1 A 22 22 GLY C C 52 173.610 174.050 -0.440 1
1 291 . 17 1 1 A 22 22 GLY CA C 52 45.088 45.874 -0.786 1
1 292 . 17 1 1 A 22 22 GLY N N 52 105.432 107.914 -2.482 1
1 293 . 17 1 1 A 23 23 THR H H 53 7.148 8.031 -0.883 1
1 294 . 17 1 1 A 23 23 THR HA H 53 4.838 4.418 0.420 1
1 300 . 17 1 1 A 23 23 THR C C 53 174.444 175.148 -0.704 1
1 301 . 17 1 1 A 23 23 THR CA C 53 59.766 60.873 -1.107 1
1 302 . 17 1 1 A 23 23 THR CB C 53 72.471 71.350 1.121 1
1 304 . 17 1 1 A 23 23 THR N N 53 107.608 111.893 -4.285 1
1 305 . 17 1 1 A 24 24 LYS H H 54 8.414 8.674 -0.260 1
1 306 . 17 1 1 A 24 24 LYS HA H 54 4.355 4.150 0.205 1
1 315 . 17 1 1 A 24 24 LYS C C 54 177.632 176.838 0.794 1
1 316 . 17 1 1 A 24 24 LYS CA C 54 57.393 58.272 -0.879 1
1 317 . 17 1 1 A 24 24 LYS CB C 54 32.806 32.819 -0.013 1
1 321 . 17 1 1 A 24 24 LYS N N 54 118.924 120.695 -1.771 1
1 322 . 17 1 1 A 25 25 ASN H H 55 7.823 7.730 0.093 1
1 323 . 17 1 1 A 25 25 ASN HA H 55 4.992 5.022 -0.030 1
1 328 . 17 1 1 A 25 25 ASN C C 55 174.882 175.304 -0.422 1
1 329 . 17 1 1 A 25 25 ASN CA C 55 51.540 52.274 -0.734 1
1 330 . 17 1 1 A 25 25 ASN CB C 55 38.209 38.631 -0.422 1
1 332 . 17 1 1 A 25 25 ASN N N 55 116.576 114.407 2.169 1
1 334 . 17 1 1 A 26 26 SER H H 56 8.557 8.819 -0.262 1
1 335 . 17 1 1 A 26 26 SER HA H 56 4.145 4.166 -0.021 1
1 338 . 17 1 1 A 26 26 SER C C 56 176.886 176.378 0.508 1
1 339 . 17 1 1 A 26 26 SER CA C 56 61.051 61.341 -0.290 1
1 340 . 17 1 1 A 26 26 SER CB C 56 62.398 62.922 -0.524 1
1 341 . 17 1 1 A 26 26 SER N N 56 118.968 118.590 0.378 1
1 342 . 17 1 1 A 27 27 ALA H H 57 8.133 8.362 -0.229 1
1 343 . 17 1 1 A 27 27 ALA HA H 57 4.277 4.135 0.142 1
1 347 . 17 1 1 A 27 27 ALA C C 57 177.779 180.136 -2.357 1
1 348 . 17 1 1 A 27 27 ALA CA C 57 54.020 54.853 -0.833 1
1 349 . 17 1 1 A 27 27 ALA CB C 57 18.258 18.165 0.093 1
1 350 . 17 1 1 A 27 27 ALA N N 57 125.334 123.442 1.892 1
1 351 . 17 1 1 A 28 28 GLN H H 58 7.113 8.264 -1.151 1
1 352 . 17 1 1 A 28 28 GLN HA H 58 4.262 4.167 0.095 1
1 359 . 17 1 1 A 28 28 GLN C C 58 174.984 176.345 -1.361 1
1 360 . 17 1 1 A 28 28 GLN CA C 58 56.272 57.522 -1.250 1
1 361 . 17 1 1 A 28 28 GLN CB C 58 28.627 27.971 0.656 1
1 364 . 17 1 1 A 28 28 GLN N N 58 112.472 114.145 -1.673 1
1 366 . 17 1 1 A 29 29 PHE H H 59 7.361 7.484 -0.123 1
1 367 . 17 1 1 A 29 29 PHE HA H 59 4.622 4.731 -0.109 1
1 375 . 17 1 1 A 29 29 PHE C C 59 173.987 175.974 -1.987 1
1 376 . 17 1 1 A 29 29 PHE CA C 59 59.534 59.035 0.499 1
1 377 . 17 1 1 A 29 29 PHE CB C 59 38.939 39.586 -0.647 1
1 381 . 17 1 1 A 29 29 PHE N N 59 118.258 119.663 -1.405 1
1 382 . 17 1 1 A 30 30 GLU H H 60 9.228 9.203 0.025 1
1 383 . 17 1 1 A 30 30 GLU HA H 60 4.479 4.824 -0.345 1
1 388 . 17 1 1 A 30 30 GLU C C 60 176.282 175.761 0.521 1
1 389 . 17 1 1 A 30 30 GLU CA C 60 57.063 56.732 0.331 1
1 390 . 17 1 1 A 30 30 GLU CB C 60 33.512 32.120 1.392 1
1 392 . 17 1 1 A 30 30 GLU N N 60 125.247 118.380 6.867 1
1 393 . 17 1 1 A 31 31 LYS H H 61 7.998 7.538 0.460 1
1 394 . 17 1 1 A 31 31 LYS HA H 61 5.074 4.831 0.243 1
1 403 . 17 1 1 A 31 31 LYS C C 61 172.325 174.549 -2.224 1
1 404 . 17 1 1 A 31 31 LYS CA C 61 54.881 55.012 -0.131 1
1 405 . 17 1 1 A 31 31 LYS CB C 61 35.683 35.471 0.212 1
1 409 . 17 1 1 A 31 31 LYS N N 61 113.709 117.298 -3.589 1
1 410 . 17 1 1 A 32 32 MET H H 62 9.051 9.131 -0.080 1
1 411 . 17 1 1 A 32 32 MET HA H 62 5.630 5.409 0.221 1
1 419 . 17 1 1 A 32 32 MET C C 62 172.898 174.115 -1.217 1
1 420 . 17 1 1 A 32 32 MET CA C 62 53.043 53.231 -0.188 1
1 421 . 17 1 1 A 32 32 MET CB C 62 35.214 35.900 -0.686 1
1 424 . 17 1 1 A 32 32 MET N N 62 118.635 118.359 0.276 1
1 425 . 17 1 1 A 33 33 VAL H H 63 9.186 8.650 0.536 1
1 426 . 17 1 1 A 33 33 VAL HA H 63 4.700 4.936 -0.236 1
1 434 . 17 1 1 A 33 33 VAL C C 63 174.133 173.342 0.791 1
1 435 . 17 1 1 A 33 33 VAL CA C 63 61.351 59.805 1.546 1
1 436 . 17 1 1 A 33 33 VAL CB C 63 34.651 35.541 -0.890 1
1 439 . 17 1 1 A 33 33 VAL N N 63 122.441 118.823 3.618 1
1 440 . 17 1 1 A 34 34 ILE H H 64 9.244 9.023 0.221 1
1 441 . 17 1 1 A 34 34 ILE HA H 64 4.302 4.757 -0.455 1
1 451 . 17 1 1 A 34 34 ILE C C 64 174.924 174.754 0.170 1
1 452 . 17 1 1 A 34 34 ILE CA C 64 60.422 59.856 0.566 1
1 453 . 17 1 1 A 34 34 ILE CB C 64 41.255 42.031 -0.776 1
1 457 . 17 1 1 A 34 34 ILE N N 64 127.876 127.152 0.724 1
1 458 . 17 1 1 A 35 35 LEU H H 65 9.117 9.423 -0.306 1
1 459 . 17 1 1 A 35 35 LEU HA H 65 5.531 5.354 0.177 1
1 469 . 17 1 1 A 35 35 LEU C C 65 178.538 176.788 1.750 1
1 470 . 17 1 1 A 35 35 LEU CA C 65 53.047 53.385 -0.338 1
1 471 . 17 1 1 A 35 35 LEU CB C 65 43.797 43.585 0.212 1
1 475 . 17 1 1 A 35 35 LEU N N 65 125.572 126.759 -1.187 1
1 476 . 17 1 1 A 36 36 THR H H 66 8.634 8.746 -0.112 1
1 477 . 17 1 1 A 36 36 THR HA H 66 5.212 5.241 -0.029 1
1 482 . 17 1 1 A 36 36 THR C C 66 174.918 174.778 0.140 1
1 483 . 17 1 1 A 36 36 THR CA C 66 59.374 60.086 -0.712 1
1 484 . 17 1 1 A 36 36 THR CB C 66 72.100 71.637 0.463 1
1 486 . 17 1 1 A 36 36 THR N N 66 112.840 116.054 -3.214 1
1 487 . 17 1 1 A 37 37 GLU H H 67 8.580 8.470 0.110 1
1 488 . 17 1 1 A 37 37 GLU HA H 67 4.469 4.308 0.161 1
1 493 . 17 1 1 A 37 37 GLU C C 67 177.333 176.838 0.495 1
1 494 . 17 1 1 A 37 37 GLU CA C 67 57.348 56.270 1.078 1
1 495 . 17 1 1 A 37 37 GLU CB C 67 31.357 30.555 0.802 1
1 497 . 17 1 1 A 37 37 GLU N N 67 118.675 121.508 -2.833 1
1 498 . 17 1 1 A 38 38 ASN H H 68 8.580 9.208 -0.628 1
1 499 . 17 1 1 A 38 38 ASN HA H 68 3.768 4.556 -0.788 1
1 504 . 17 1 1 A 38 38 ASN C C 68 172.921 174.656 -1.735 1
1 505 . 17 1 1 A 38 38 ASN CA C 68 54.686 54.684 0.002 1
1 506 . 17 1 1 A 38 38 ASN CB C 68 36.511 37.090 -0.579 1
1 508 . 17 1 1 A 38 38 ASN N N 68 114.341 117.420 -3.079 1
1 510 . 17 1 1 A 39 39 LYS H H 69 7.891 8.370 -0.479 1
1 511 . 17 1 1 A 39 39 LYS HA H 69 3.936 3.937 -0.001 1
1 520 . 17 1 1 A 39 39 LYS C C 69 177.032 176.289 0.743 1
1 521 . 17 1 1 A 39 39 LYS CA C 69 56.758 57.518 -0.760 1
1 522 . 17 1 1 A 39 39 LYS CB C 69 28.099 29.451 -1.352 1
1 526 . 17 1 1 A 39 39 LYS N N 69 107.932 109.539 -1.607 1
1 527 . 17 1 1 A 40 40 GLY H H 70 6.998 8.146 -1.148 1
1 528 . 17 1 1 A 40 40 GLY HA2 H 70 4.362 3.887 0.475 1
1 529 . 17 1 1 A 40 40 GLY HA3 H 70 3.875 4.108 -0.233 1
1 530 . 17 1 1 A 40 40 GLY C C 70 173.763 171.706 2.057 1
1 531 . 17 1 1 A 40 40 GLY CA C 70 46.628 45.670 0.958 1
1 532 . 17 1 1 A 40 40 GLY N N 70 107.011 107.404 -0.393 1
1 533 . 17 1 1 A 41 41 TYR H H 71 7.679 8.508 -0.829 1
1 534 . 17 1 1 A 41 41 TYR HA H 71 5.097 5.398 -0.301 1
1 541 . 17 1 1 A 41 41 TYR C C 71 174.452 172.856 1.596 1
1 542 . 17 1 1 A 41 41 TYR CA C 71 57.730 56.663 1.067 1
1 543 . 17 1 1 A 41 41 TYR CB C 71 40.474 41.964 -1.490 1
1 546 . 17 1 1 A 41 41 TYR N N 71 129.822 123.428 6.394 1
1 547 . 17 1 1 A 42 42 TYR H H 72 9.101 8.709 0.392 1
1 548 . 17 1 1 A 42 42 TYR HA H 72 4.875 5.208 -0.333 1
1 555 . 17 1 1 A 42 42 TYR C C 72 174.448 174.604 -0.156 1
1 556 . 17 1 1 A 42 42 TYR CA C 72 56.114 56.572 -0.458 1
1 557 . 17 1 1 A 42 42 TYR CB C 72 41.115 42.828 -1.713 1
1 560 . 17 1 1 A 42 42 TYR N N 72 126.527 126.629 -0.102 1
1 561 . 17 1 1 A 43 43 THR H H 73 9.022 8.768 0.254 1
1 562 . 17 1 1 A 43 43 THR HA H 73 4.876 5.215 -0.339 1
1 567 . 17 1 1 A 43 43 THR C C 73 174.791 172.213 2.578 1
1 568 . 17 1 1 A 43 43 THR CA C 73 62.821 60.170 2.651 1
1 569 . 17 1 1 A 43 43 THR CB C 73 68.769 71.575 -2.806 1
1 571 . 17 1 1 A 43 43 THR N N 73 120.810 115.841 4.969 1
1 572 . 17 1 1 A 44 44 VAL H H 74 9.233 8.685 0.548 1
1 573 . 17 1 1 A 44 44 VAL HA H 74 4.427 4.731 -0.304 1
1 581 . 17 1 1 A 44 44 VAL C C 74 175.094 174.462 0.632 1
1 582 . 17 1 1 A 44 44 VAL CA C 74 61.457 60.988 0.469 1
1 583 . 17 1 1 A 44 44 VAL CB C 74 35.669 35.686 -0.017 1
1 586 . 17 1 1 A 44 44 VAL N N 74 129.156 126.292 2.864 1
1 587 . 17 1 1 A 45 45 TYR H H 75 9.384 8.963 0.421 1
1 588 . 17 1 1 A 45 45 TYR HA H 75 4.528 4.801 -0.273 1
1 595 . 17 1 1 A 45 45 TYR C C 75 176.497 176.094 0.403 1
1 596 . 17 1 1 A 45 45 TYR CA C 75 59.843 58.448 1.395 1
1 597 . 17 1 1 A 45 45 TYR CB C 75 38.245 38.633 -0.388 1
1 600 . 17 1 1 A 45 45 TYR N N 75 128.465 126.888 1.577 1
1 601 . 17 1 1 A 46 46 LEU H H 76 8.524 9.192 -0.668 1
1 602 . 17 1 1 A 46 46 LEU HA H 76 4.528 4.347 0.181 1
1 612 . 17 1 1 A 46 46 LEU C C 76 177.001 178.185 -1.184 1
1 613 . 17 1 1 A 46 46 LEU CA C 76 55.010 56.136 -1.126 1
1 614 . 17 1 1 A 46 46 LEU CB C 76 42.094 41.694 0.400 1
1 618 . 17 1 1 A 46 46 LEU N N 76 119.547 125.247 -5.700 1
1 619 . 17 1 1 A 47 47 ASN H H 77 8.599 8.323 0.276 1
1 620 . 17 1 1 A 47 47 ASN HA H 77 4.618 4.736 -0.118 1
1 625 . 17 1 1 A 47 47 ASN C C 77 173.844 175.139 -1.295 1
1 626 . 17 1 1 A 47 47 ASN CA C 77 54.045 54.662 -0.617 1
1 627 . 17 1 1 A 47 47 ASN CB C 77 37.058 38.265 -1.207 1
1 629 . 17 1 1 A 47 47 ASN N N 77 116.407 115.676 0.731 1
1 631 . 17 1 1 A 48 48 THR H H 78 7.429 7.579 -0.150 1
1 632 . 17 1 1 A 48 48 THR HA H 78 4.803 5.028 -0.225 1
1 637 . 17 1 1 A 48 48 THR C C 78 175.201 171.736 3.465 1
1 638 . 17 1 1 A 48 48 THR CA C 78 58.577 58.732 -0.155 1
1 639 . 17 1 1 A 48 48 THR CB C 78 70.494 70.453 0.041 1
1 641 . 17 1 1 A 48 48 THR N N 78 111.551 110.902 0.649 1
1 642 . 17 1 1 A 49 49 PRO HA H 79 4.462 4.523 -0.061 1
1 649 . 17 1 1 A 49 49 PRO C C 79 176.670 176.930 -0.260 1
1 650 . 17 1 1 A 49 49 PRO CA C 79 62.384 62.956 -0.572 1
1 651 . 17 1 1 A 49 49 PRO CB C 79 32.205 32.037 0.168 1
1 654 . 17 1 1 A 50 50 LEU H H 80 9.049 8.317 0.732 1
1 655 . 17 1 1 A 50 50 LEU HA H 80 4.081 4.489 -0.408 1
1 665 . 17 1 1 A 50 50 LEU C C 80 176.758 176.675 0.083 1
1 666 . 17 1 1 A 50 50 LEU CA C 80 55.315 53.431 1.884 1
1 667 . 17 1 1 A 50 50 LEU CB C 80 41.915 43.220 -1.305 1
1 671 . 17 1 1 A 50 50 LEU N N 80 126.341 119.118 7.223 1
1 672 . 17 1 1 A 51 51 ALA H H 81 8.415 8.790 -0.375 1
1 673 . 17 1 1 A 51 51 ALA HA H 81 4.187 4.434 -0.247 1
1 677 . 17 1 1 A 51 51 ALA C C 81 179.005 178.585 0.420 1
1 678 . 17 1 1 A 51 51 ALA CA C 81 52.851 51.901 0.950 1
1 679 . 17 1 1 A 51 51 ALA CB C 81 19.625 19.405 0.220 1
1 680 . 17 1 1 A 51 51 ALA N N 81 129.745 123.206 6.539 1
1 681 . 17 1 1 A 52 52 GLU H H 82 8.739 8.911 -0.172 1
1 682 . 17 1 1 A 52 52 GLU HA H 82 3.815 4.039 -0.224 1
1 687 . 17 1 1 A 52 52 GLU C C 82 178.591 178.368 0.223 1
1 688 . 17 1 1 A 52 52 GLU CA C 82 59.566 58.813 0.753 1
1 689 . 17 1 1 A 52 52 GLU CB C 82 29.774 29.161 0.613 1
1 691 . 17 1 1 A 52 52 GLU N N 82 121.424 121.074 0.350 1
1 692 . 17 1 1 A 53 53 ASP H H 83 8.511 8.182 0.329 1
1 693 . 17 1 1 A 53 53 ASP HA H 83 4.427 4.403 0.024 1
1 696 . 17 1 1 A 53 53 ASP C C 83 177.306 179.084 -1.778 1
1 697 . 17 1 1 A 53 53 ASP CA C 83 55.398 56.927 -1.529 1
1 698 . 17 1 1 A 53 53 ASP CB C 83 39.430 40.126 -0.696 1
1 699 . 17 1 1 A 53 53 ASP N N 83 114.043 120.401 -6.358 1
1 700 . 17 1 1 A 54 54 ARG H H 84 7.800 7.747 0.053 1
1 701 . 17 1 1 A 54 54 ARG HA H 84 4.527 4.169 0.358 1
1 710 . 17 1 1 A 54 54 ARG C C 84 176.966 179.050 -2.084 1
1 711 . 17 1 1 A 54 54 ARG CA C 84 55.915 58.703 -2.788 1
1 712 . 17 1 1 A 54 54 ARG CB C 84 31.804 30.055 1.749 1
1 715 . 17 1 1 A 54 54 ARG N N 84 118.147 119.474 -1.327 1
1 718 . 17 1 1 A 55 55 LYS H H 85 7.335 7.568 -0.233 1
1 719 . 17 1 1 A 55 55 LYS HA H 85 3.551 4.131 -0.580 1
1 728 . 17 1 1 A 55 55 LYS C C 85 178.113 177.265 0.848 1
1 729 . 17 1 1 A 55 55 LYS CA C 85 59.887 58.546 1.341 1
1 730 . 17 1 1 A 55 55 LYS CB C 85 32.935 32.376 0.559 1
1 734 . 17 1 1 A 55 55 LYS N N 85 116.576 119.155 -2.579 1
1 735 . 17 1 1 A 56 56 ASN H H 86 8.347 7.740 0.607 1
1 736 . 17 1 1 A 56 56 ASN HA H 86 4.886 5.010 -0.124 1
1 741 . 17 1 1 A 56 56 ASN C C 86 174.736 174.785 -0.049 1
1 742 . 17 1 1 A 56 56 ASN CA C 86 52.265 52.835 -0.570 1
1 743 . 17 1 1 A 56 56 ASN CB C 86 38.239 40.078 -1.839 1
1 745 . 17 1 1 A 56 56 ASN N N 86 114.341 115.369 -1.028 1
1 747 . 17 1 1 A 57 57 VAL H H 87 6.985 7.467 -0.482 1
1 748 . 17 1 1 A 57 57 VAL HA H 87 3.746 4.260 -0.514 1
1 756 . 17 1 1 A 57 57 VAL C C 87 175.380 175.249 0.131 1
1 757 . 17 1 1 A 57 57 VAL CA C 87 63.723 61.958 1.765 1
1 758 . 17 1 1 A 57 57 VAL CB C 87 32.650 32.838 -0.188 1
1 761 . 17 1 1 A 57 57 VAL N N 87 121.424 121.077 0.347 1
1 762 . 17 1 1 A 58 58 GLU H H 88 8.777 8.747 0.030 1
1 763 . 17 1 1 A 58 58 GLU HA H 88 4.339 4.561 -0.222 1
1 768 . 17 1 1 A 58 58 GLU C C 88 176.364 176.389 -0.025 1
1 769 . 17 1 1 A 58 58 GLU CA C 88 56.085 56.358 -0.273 1
1 770 . 17 1 1 A 58 58 GLU CB C 88 29.861 30.618 -0.757 1
1 772 . 17 1 1 A 58 58 GLU N N 88 129.489 129.288 0.201 1
1 773 . 17 1 1 A 59 59 LEU H H 89 8.230 8.945 -0.715 1
1 774 . 17 1 1 A 59 59 LEU HA H 89 4.299 4.268 0.031 1
1 784 . 17 1 1 A 59 59 LEU C C 89 178.976 177.451 1.525 1
1 785 . 17 1 1 A 59 59 LEU CA C 89 54.651 54.696 -0.045 1
1 786 . 17 1 1 A 59 59 LEU CB C 89 42.596 41.847 0.749 1
1 790 . 17 1 1 A 59 59 LEU N N 89 124.395 127.174 -2.779 1
1 791 . 17 1 1 A 60 60 LEU H H 90 7.777 9.227 -1.450 1
1 792 . 17 1 1 A 60 60 LEU HA H 90 4.135 4.209 -0.074 1
1 802 . 17 1 1 A 60 60 LEU C C 90 176.394 176.943 -0.549 1
1 803 . 17 1 1 A 60 60 LEU CA C 90 56.754 57.040 -0.286 1
1 804 . 17 1 1 A 60 60 LEU CB C 90 42.413 42.574 -0.161 1
1 808 . 17 1 1 A 60 60 LEU N N 90 119.734 125.512 -5.778 1
1 809 . 17 1 1 A 61 61 GLY H H 91 7.224 7.579 -0.355 1
1 810 . 17 1 1 A 61 61 GLY HA2 H 91 4.165 4.048 0.117 1
1 811 . 17 1 1 A 61 61 GLY HA3 H 91 3.899 4.060 -0.161 1
1 812 . 17 1 1 A 61 61 GLY C C 91 171.742 172.685 -0.943 1
1 813 . 17 1 1 A 61 61 GLY CA C 91 44.969 45.559 -0.590 1
1 814 . 17 1 1 A 61 61 GLY N N 91 103.707 104.452 -0.745 1
1 815 . 17 1 1 A 62 62 LYS H H 92 8.771 8.377 0.394 1
1 816 . 17 1 1 A 62 62 LYS HA H 92 4.150 4.325 -0.175 1
1 825 . 17 1 1 A 62 62 LYS C C 92 177.522 176.085 1.437 1
1 826 . 17 1 1 A 62 62 LYS CA C 92 56.750 56.163 0.587 1
1 827 . 17 1 1 A 62 62 LYS CB C 92 33.835 33.120 0.715 1
1 831 . 17 1 1 A 62 62 LYS N N 92 118.635 120.946 -2.311 1
1 832 . 17 1 1 A 63 63 MET H H 93 9.188 8.415 0.773 1
1 833 . 17 1 1 A 63 63 MET HA H 93 3.835 4.511 -0.676 1
1 841 . 17 1 1 A 63 63 MET C C 93 173.913 175.600 -1.687 1
1 842 . 17 1 1 A 63 63 MET CA C 93 59.275 53.948 5.327 1
1 843 . 17 1 1 A 63 63 MET CB C 93 31.483 31.007 0.476 1
1 846 . 17 1 1 A 63 63 MET N N 93 123.413 124.408 -0.995 1
1 847 . 17 1 1 A 64 64 TYR H H 94 9.421 8.493 0.928 1
1 848 . 17 1 1 A 64 64 TYR HA H 94 4.767 4.155 0.612 1
1 855 . 17 1 1 A 64 64 TYR C C 94 173.918 174.970 -1.052 1
1 856 . 17 1 1 A 64 64 TYR CA C 94 56.933 61.575 -4.642 1
1 857 . 17 1 1 A 64 64 TYR CB C 94 40.020 38.914 1.106 1
1 860 . 17 1 1 A 64 64 TYR N N 94 129.403 125.544 3.859 1
1 861 . 17 1 1 A 65 65 LYS H H 95 7.289 7.457 -0.168 1
1 862 . 17 1 1 A 65 65 LYS HA H 95 4.688 4.460 0.228 1
1 871 . 17 1 1 A 65 65 LYS C C 95 175.000 173.953 1.047 1
1 872 . 17 1 1 A 65 65 LYS CA C 95 55.841 55.645 0.196 1
1 873 . 17 1 1 A 65 65 LYS CB C 95 40.404 35.685 4.719 1
1 877 . 17 1 1 A 65 65 LYS N N 95 118.804 118.350 0.454 1
1 878 . 17 1 1 A 66 66 THR H H 96 8.727 7.822 0.905 1
1 879 . 17 1 1 A 66 66 THR HA H 96 5.149 5.469 -0.320 1
1 885 . 17 1 1 A 66 66 THR C C 96 172.120 172.368 -0.248 1
1 886 . 17 1 1 A 66 66 THR CA C 96 62.226 60.225 2.001 1
1 887 . 17 1 1 A 66 66 THR CB C 96 71.787 71.871 -0.084 1
1 889 . 17 1 1 A 66 66 THR N N 96 116.235 119.610 -3.375 1
1 890 . 17 1 1 A 67 67 TYR H H 97 8.969 9.091 -0.122 1
1 891 . 17 1 1 A 67 67 TYR HA H 97 5.027 5.335 -0.308 1
1 898 . 17 1 1 A 67 67 TYR C C 97 175.077 174.476 0.601 1
1 899 . 17 1 1 A 67 67 TYR CA C 97 57.278 56.551 0.727 1
1 900 . 17 1 1 A 67 67 TYR CB C 97 42.054 42.997 -0.943 1
1 903 . 17 1 1 A 67 67 TYR N N 97 125.256 123.586 1.670 1
1 904 . 17 1 1 A 68 68 PHE H H 98 9.189 8.810 0.379 1
1 905 . 17 1 1 A 68 68 PHE HA H 98 5.177 5.156 0.021 1
1 913 . 17 1 1 A 68 68 PHE C C 98 174.791 174.470 0.321 1
1 914 . 17 1 1 A 68 68 PHE CA C 98 57.825 56.772 1.053 1
1 915 . 17 1 1 A 68 68 PHE CB C 98 42.377 43.245 -0.868 1
1 919 . 17 1 1 A 68 68 PHE N N 98 118.574 119.625 -1.051 1
1 920 . 17 1 1 A 69 69 PHE H H 99 8.976 9.377 -0.401 1
1 921 . 17 1 1 A 69 69 PHE HA H 99 4.893 5.204 -0.311 1
1 929 . 17 1 1 A 69 69 PHE C C 99 176.386 175.461 0.925 1
1 930 . 17 1 1 A 69 69 PHE CA C 99 56.777 56.257 0.520 1
1 931 . 17 1 1 A 69 69 PHE CB C 99 41.371 42.536 -1.165 1
1 935 . 17 1 1 A 69 69 PHE N N 99 119.573 120.830 -1.257 1
1 936 . 17 1 1 A 70 70 LYS H H 100 9.479 8.644 0.835 1
1 937 . 17 1 1 A 70 70 LYS HA H 100 4.533 4.324 0.209 1
1 946 . 17 1 1 A 70 70 LYS C C 100 176.156 176.235 -0.079 1
1 947 . 17 1 1 A 70 70 LYS CA C 100 56.706 55.898 0.808 1
1 948 . 17 1 1 A 70 70 LYS CB C 100 33.667 33.023 0.644 1
1 952 . 17 1 1 A 70 70 LYS N N 100 125.614 122.610 3.004 1
1 953 . 17 1 1 A 71 71 LYS H H 101 8.068 8.701 -0.633 1
1 954 . 17 1 1 A 71 71 LYS HA H 101 4.188 3.999 0.189 1
1 963 . 17 1 1 A 71 71 LYS C C 101 177.655 177.467 0.188 1
1 964 . 17 1 1 A 71 71 LYS CA C 101 58.238 58.340 -0.102 1
1 965 . 17 1 1 A 71 71 LYS CB C 101 32.342 32.031 0.311 1
1 969 . 17 1 1 A 71 71 LYS N N 101 121.057 122.931 -1.874 1
1 970 . 17 1 1 A 72 72 GLY H H 102 8.899 9.282 -0.383 1
1 971 . 17 1 1 A 72 72 GLY HA2 H 102 4.196 3.939 0.257 1
1 972 . 17 1 1 A 72 72 GLY HA3 H 102 3.815 3.954 -0.139 1
1 973 . 17 1 1 A 72 72 GLY C C 102 173.997 174.378 -0.381 1
1 974 . 17 1 1 A 72 72 GLY CA C 102 45.802 45.449 0.353 1
1 975 . 17 1 1 A 72 72 GLY N N 102 114.112 114.883 -0.771 1
1 976 . 17 1 1 A 73 73 GLU H H 103 8.047 7.934 0.113 1
1 977 . 17 1 1 A 73 73 GLU HA H 103 4.764 4.712 0.052 1
1 982 . 17 1 1 A 73 73 GLU C C 103 175.975 176.390 -0.415 1
1 983 . 17 1 1 A 73 73 GLU CA C 103 56.295 55.427 0.868 1
1 984 . 17 1 1 A 73 73 GLU CB C 103 31.153 31.431 -0.278 1
1 986 . 17 1 1 A 73 73 GLU N N 103 119.538 120.560 -1.022 1
1 987 . 17 1 1 A 74 74 SER H H 104 8.742 8.777 -0.035 1
1 988 . 17 1 1 A 74 74 SER HA H 104 4.598 4.861 -0.263 1
1 991 . 17 1 1 A 74 74 SER C C 104 171.916 173.978 -2.062 1
1 992 . 17 1 1 A 74 74 SER CA C 104 58.363 57.206 1.157 1
1 993 . 17 1 1 A 74 74 SER CB C 104 64.025 65.052 -1.027 1
1 994 . 17 1 1 A 74 74 SER N N 104 115.383 113.379 2.004 1
1 995 . 17 1 1 A 75 75 LYS H H 105 7.608 7.666 -0.058 1
1 996 . 17 1 1 A 75 75 LYS HA H 105 5.588 5.190 0.398 1
1 1005 . 17 1 1 A 75 75 LYS C C 105 176.017 174.737 1.280 1
1 1006 . 17 1 1 A 75 75 LYS CA C 105 54.548 55.060 -0.512 1
1 1007 . 17 1 1 A 75 75 LYS CB C 105 35.211 36.341 -1.130 1
1 1011 . 17 1 1 A 75 75 LYS N N 105 121.040 123.057 -2.017 1
1 1012 . 17 1 1 A 76 76 SER H H 106 8.231 8.869 -0.638 1
1 1013 . 17 1 1 A 76 76 SER HA H 106 3.377 3.960 -0.583 1
1 1016 . 17 1 1 A 76 76 SER C C 106 172.571 173.990 -1.419 1
1 1017 . 17 1 1 A 76 76 SER CA C 106 59.650 58.253 1.397 1
1 1018 . 17 1 1 A 76 76 SER CB C 106 64.857 63.329 1.528 1
1 1019 . 17 1 1 A 76 76 SER N N 106 121.783 120.996 0.787 1
1 1020 . 17 1 1 A 77 77 SER H H 107 8.333 9.304 -0.971 1
1 1021 . 17 1 1 A 77 77 SER HA H 107 5.025 4.647 0.378 1
1 1024 . 17 1 1 A 77 77 SER C C 107 174.507 173.526 0.981 1
1 1025 . 17 1 1 A 77 77 SER CA C 107 57.561 58.666 -1.105 1
1 1026 . 17 1 1 A 77 77 SER CB C 107 65.330 65.585 -0.255 1
1 1027 . 17 1 1 A 77 77 SER N N 107 106.276 119.835 -13.559 1
1 1028 . 17 1 1 A 78 78 TYR H H 108 7.825 7.467 0.358 1
1 1029 . 17 1 1 A 78 78 TYR HA H 108 4.754 4.808 -0.054 1
1 1036 . 17 1 1 A 78 78 TYR C C 108 171.725 173.700 -1.975 1
1 1037 . 17 1 1 A 78 78 TYR CA C 108 57.778 56.656 1.122 1
1 1038 . 17 1 1 A 78 78 TYR CB C 108 43.223 41.789 1.434 1
1 1041 . 17 1 1 A 78 78 TYR N N 108 126.289 119.820 6.469 1
1 1042 . 17 1 1 A 79 79 VAL H H 109 7.760 8.325 -0.565 1
1 1043 . 17 1 1 A 79 79 VAL HA H 109 5.215 5.177 0.038 1
1 1051 . 17 1 1 A 79 79 VAL C C 109 172.526 174.553 -2.027 1
1 1052 . 17 1 1 A 79 79 VAL CA C 109 59.193 59.525 -0.332 1
1 1053 . 17 1 1 A 79 79 VAL CB C 109 36.173 35.955 0.218 1
1 1056 . 17 1 1 A 79 79 VAL N N 109 127.825 121.171 6.654 1
1 1057 . 17 1 1 A 80 80 ILE H H 110 8.616 8.335 0.281 1
1 1058 . 17 1 1 A 80 80 ILE HA H 110 4.011 4.488 -0.477 1
1 1068 . 17 1 1 A 80 80 ILE C C 110 174.690 174.196 0.494 1
1 1069 . 17 1 1 A 80 80 ILE CA C 110 60.922 59.992 0.930 1
1 1070 . 17 1 1 A 80 80 ILE CB C 110 42.047 41.128 0.919 1
1 1074 . 17 1 1 A 80 80 ILE N N 110 124.001 122.271 1.730 1
1 1075 . 17 1 1 A 81 81 ASN H H 111 8.937 8.383 0.554 1
1 1076 . 17 1 1 A 81 81 ASN HA H 111 4.760 5.310 -0.550 1
1 1081 . 17 1 1 A 81 81 ASN C C 111 175.326 175.364 -0.038 1
1 1082 . 17 1 1 A 81 81 ASN CA C 111 53.600 51.832 1.768 1
1 1083 . 17 1 1 A 81 81 ASN CB C 111 40.412 40.406 0.006 1
1 1085 . 17 1 1 A 81 81 ASN N N 111 126.229 125.618 0.611 1
1 1087 . 17 1 1 A 82 82 GLY H H 112 7.984 8.405 -0.421 1
1 1088 . 17 1 1 A 82 82 GLY HA2 H 112 4.457 4.169 0.288 1
1 1089 . 17 1 1 A 82 82 GLY HA3 H 112 3.847 4.184 -0.337 1
1 1090 . 17 1 1 A 82 82 GLY C C 112 171.875 171.218 0.657 1
1 1091 . 17 1 1 A 82 82 GLY CA C 112 43.303 45.075 -1.772 1
1 1092 . 17 1 1 A 82 82 GLY N N 112 110.894 109.604 1.290 1
1 1093 . 17 1 1 A 83 83 PRO HA H 113 4.609 4.397 0.212 1
1 1100 . 17 1 1 A 83 83 PRO C C 113 178.327 176.338 1.989 1
1 1101 . 17 1 1 A 83 83 PRO CA C 113 63.342 63.490 -0.148 1
1 1102 . 17 1 1 A 83 83 PRO CB C 113 32.232 31.768 0.464 1
1 1105 . 17 1 1 A 84 84 GLY H H 114 8.939 8.261 0.678 1
1 1106 . 17 1 1 A 84 84 GLY HA2 H 114 4.055 4.241 -0.186 1
1 1107 . 17 1 1 A 84 84 GLY HA3 H 114 3.192 4.312 -1.120 1
1 1108 . 17 1 1 A 84 84 GLY C C 114 172.587 173.789 -1.202 1
1 1109 . 17 1 1 A 84 84 GLY CA C 114 44.667 44.624 0.043 1
1 1110 . 17 1 1 A 84 84 GLY N N 114 109.324 110.111 -0.787 1
1 1111 . 17 1 1 A 85 85 LYS H H 115 9.550 8.956 0.594 1
1 1112 . 17 1 1 A 85 85 LYS HA H 115 4.527 4.608 -0.081 1
1 1121 . 17 1 1 A 85 85 LYS C C 115 175.690 175.546 0.144 1
1 1122 . 17 1 1 A 85 85 LYS CA C 115 56.251 57.181 -0.930 1
1 1123 . 17 1 1 A 85 85 LYS CB C 115 34.217 35.640 -1.423 1
1 1127 . 17 1 1 A 85 85 LYS N N 115 119.240 119.844 -0.604 1
1 1128 . 17 1 1 A 86 86 THR H H 116 7.327 7.197 0.130 1
1 1129 . 17 1 1 A 86 86 THR HA H 116 3.572 4.391 -0.819 1
1 1134 . 17 1 1 A 86 86 THR C C 116 170.519 173.799 -3.280 1
1 1135 . 17 1 1 A 86 86 THR CA C 116 59.094 60.028 -0.934 1
1 1136 . 17 1 1 A 86 86 THR CB C 116 68.191 71.768 -3.577 1
1 1138 . 17 1 1 A 86 86 THR N N 116 113.403 111.905 1.498 1
1 1139 . 17 1 1 A 87 87 ASN H H 117 8.035 8.812 -0.777 1
1 1140 . 17 1 1 A 87 87 ASN HA H 117 4.914 4.615 0.299 1
1 1145 . 17 1 1 A 87 87 ASN C C 117 175.798 176.006 -0.208 1
1 1146 . 17 1 1 A 87 87 ASN CA C 117 52.062 54.903 -2.841 1
1 1147 . 17 1 1 A 87 87 ASN CB C 117 40.563 38.001 2.562 1
1 1149 . 17 1 1 A 87 87 ASN N N 117 118.907 126.447 -7.540 1
1 1151 . 17 1 1 A 88 88 GLU H H 118 8.362 7.856 0.506 1
1 1152 . 17 1 1 A 88 88 GLU HA H 118 4.116 4.394 -0.278 1
1 1157 . 17 1 1 A 88 88 GLU C C 118 175.935 175.607 0.328 1
1 1158 . 17 1 1 A 88 88 GLU CA C 118 55.589 56.863 -1.274 1
1 1159 . 17 1 1 A 88 88 GLU CB C 118 29.435 30.293 -0.858 1
1 1161 . 17 1 1 A 88 88 GLU N N 118 119.547 116.973 2.574 1
1 1162 . 17 1 1 A 89 89 TYR H H 119 7.918 7.348 0.570 1
1 1163 . 17 1 1 A 89 89 TYR HA H 119 4.639 4.833 -0.194 1
1 1170 . 17 1 1 A 89 89 TYR C C 119 175.750 173.452 2.298 1
1 1171 . 17 1 1 A 89 89 TYR CA C 119 59.270 58.292 0.978 1
1 1172 . 17 1 1 A 89 89 TYR CB C 119 38.274 41.405 -3.131 1
1 1175 . 17 1 1 A 89 89 TYR N N 119 118.293 116.789 1.504 1
1 1176 . 17 1 1 A 90 90 ALA H H 120 8.285 8.464 -0.179 1
1 1177 . 17 1 1 A 90 90 ALA HA H 120 4.273 5.169 -0.896 1
1 1181 . 17 1 1 A 90 90 ALA C C 120 175.773 175.252 0.521 1
1 1182 . 17 1 1 A 90 90 ALA CA C 120 52.014 50.291 1.723 1
1 1183 . 17 1 1 A 90 90 ALA CB C 120 19.920 21.394 -1.474 1
1 1184 . 17 1 1 A 90 90 ALA N N 120 126.212 128.738 -2.526 1
1 11 . 18 1 1 A 2 2 SER HA H 32 4.469 4.173 0.296 1
1 14 . 18 1 1 A 2 2 SER C C 32 174.865 175.835 -0.970 1
1 15 . 18 1 1 A 2 2 SER CA C 32 58.680 62.185 -3.505 1
1 16 . 18 1 1 A 2 2 SER CB C 32 63.805 62.652 1.153 1
1 17 . 18 1 1 A 3 3 GLY H H 33 8.513 8.007 0.506 1
1 18 . 18 1 1 A 3 3 GLY HA2 H 33 3.972 4.014 -0.042 1
1 19 . 18 1 1 A 3 3 GLY HA3 H 33 3.972 4.025 -0.053 1
1 20 . 18 1 1 A 3 3 GLY C C 33 173.735 173.840 -0.105 1
1 21 . 18 1 1 A 3 3 GLY CA C 33 45.132 46.014 -0.882 1
1 22 . 18 1 1 A 3 3 GLY N N 33 110.526 107.929 2.597 1
1 23 . 18 1 1 A 4 4 LEU H H 34 8.145 7.887 0.258 1
1 24 . 18 1 1 A 4 4 LEU HA H 34 4.599 4.773 -0.174 1
1 34 . 18 1 1 A 4 4 LEU C C 34 175.201 174.094 1.107 1
1 35 . 18 1 1 A 4 4 LEU CA C 34 53.002 51.587 1.415 1
1 36 . 18 1 1 A 4 4 LEU CB C 34 41.772 44.114 -2.342 1
1 40 . 18 1 1 A 4 4 LEU N N 34 122.423 119.292 3.131 1
1 41 . 18 1 1 A 5 5 PRO HA H 35 4.551 4.906 -0.355 1
1 48 . 18 1 1 A 5 5 PRO C C 35 176.487 176.280 0.207 1
1 49 . 18 1 1 A 5 5 PRO CA C 35 62.771 62.328 0.443 1
1 50 . 18 1 1 A 5 5 PRO CB C 35 32.488 32.742 -0.254 1
1 53 . 18 1 1 A 6 6 THR H H 36 8.447 8.458 -0.011 1
1 54 . 18 1 1 A 6 6 THR HA H 36 4.445 4.529 -0.084 1
1 59 . 18 1 1 A 6 6 THR C C 36 174.231 173.219 1.012 1
1 60 . 18 1 1 A 6 6 THR CA C 36 61.727 61.149 0.578 1
1 61 . 18 1 1 A 6 6 THR CB C 36 69.213 70.241 -1.028 1
1 63 . 18 1 1 A 6 6 THR N N 36 111.916 115.731 -3.815 1
1 64 . 18 1 1 A 7 7 THR H H 37 7.303 7.363 -0.060 1
1 65 . 18 1 1 A 7 7 THR HA H 37 5.232 4.908 0.324 1
1 70 . 18 1 1 A 7 7 THR C C 37 175.848 174.520 1.328 1
1 71 . 18 1 1 A 7 7 THR CA C 37 58.599 59.058 -0.459 1
1 72 . 18 1 1 A 7 7 THR CB C 37 71.971 72.765 -0.794 1
1 74 . 18 1 1 A 7 7 THR N N 37 110.288 112.707 -2.419 1
1 75 . 18 1 1 A 8 8 LEU H H 38 9.065 8.821 0.244 1
1 76 . 18 1 1 A 8 8 LEU HA H 38 3.829 3.772 0.057 1
1 86 . 18 1 1 A 8 8 LEU C C 38 177.964 179.214 -1.250 1
1 87 . 18 1 1 A 8 8 LEU CA C 38 57.613 58.125 -0.512 1
1 88 . 18 1 1 A 8 8 LEU CB C 38 41.058 41.430 -0.372 1
1 92 . 18 1 1 A 8 8 LEU N N 38 122.441 123.101 -0.660 1
1 93 . 18 1 1 A 9 9 GLY H H 39 8.753 8.474 0.279 1
1 94 . 18 1 1 A 9 9 GLY HA2 H 39 3.969 3.793 0.176 1
1 95 . 18 1 1 A 9 9 GLY HA3 H 39 3.769 3.794 -0.025 1
1 96 . 18 1 1 A 9 9 GLY C C 39 176.615 176.144 0.471 1
1 97 . 18 1 1 A 9 9 GLY CA C 39 47.314 47.137 0.177 1
1 98 . 18 1 1 A 9 9 GLY N N 39 104.356 106.451 -2.095 1
1 99 . 18 1 1 A 10 10 LYS H H 40 7.341 7.660 -0.319 1
1 100 . 18 1 1 A 10 10 LYS HA H 40 4.241 4.045 0.196 1
1 109 . 18 1 1 A 10 10 LYS C C 40 179.292 179.298 -0.006 1
1 110 . 18 1 1 A 10 10 LYS CA C 40 58.108 59.272 -1.164 1
1 111 . 18 1 1 A 10 10 LYS CB C 40 32.346 32.248 0.098 1
1 115 . 18 1 1 A 10 10 LYS N N 40 120.741 122.363 -1.622 1
1 116 . 18 1 1 A 11 11 LEU H H 41 8.033 7.817 0.216 1
1 117 . 18 1 1 A 11 11 LEU HA H 41 4.059 4.024 0.035 1
1 127 . 18 1 1 A 11 11 LEU C C 41 177.253 178.002 -0.749 1
1 128 . 18 1 1 A 11 11 LEU CA C 41 57.978 57.564 0.414 1
1 129 . 18 1 1 A 11 11 LEU CB C 41 41.760 41.502 0.258 1
1 133 . 18 1 1 A 11 11 LEU N N 41 121.501 121.281 0.220 1
1 134 . 18 1 1 A 12 12 ASP H H 42 9.025 8.704 0.321 1
1 135 . 18 1 1 A 12 12 ASP HA H 42 4.045 4.260 -0.215 1
1 138 . 18 1 1 A 12 12 ASP C C 42 176.536 178.630 -2.094 1
1 139 . 18 1 1 A 12 12 ASP CA C 42 58.740 58.032 0.708 1
1 140 . 18 1 1 A 12 12 ASP CB C 42 44.783 41.400 3.383 1
1 141 . 18 1 1 A 12 12 ASP N N 42 119.776 119.313 0.463 1
1 142 . 18 1 1 A 13 13 GLU H H 43 7.253 7.936 -0.683 1
1 143 . 18 1 1 A 13 13 GLU HA H 43 3.869 4.077 -0.208 1
1 148 . 18 1 1 A 13 13 GLU C C 43 178.916 178.740 0.176 1
1 149 . 18 1 1 A 13 13 GLU CA C 43 59.511 59.210 0.301 1
1 150 . 18 1 1 A 13 13 GLU CB C 43 30.131 29.187 0.944 1
1 152 . 18 1 1 A 13 13 GLU N N 43 116.304 118.939 -2.635 1
1 153 . 18 1 1 A 14 14 ARG H H 44 7.234 7.617 -0.383 1
1 154 . 18 1 1 A 14 14 ARG HA H 44 3.920 4.157 -0.237 1
1 163 . 18 1 1 A 14 14 ARG C C 44 177.609 179.035 -1.426 1
1 164 . 18 1 1 A 14 14 ARG CA C 44 58.607 58.804 -0.197 1
1 165 . 18 1 1 A 14 14 ARG CB C 44 30.304 29.820 0.484 1
1 168 . 18 1 1 A 14 14 ARG N N 44 118.267 120.426 -2.159 1
1 171 . 18 1 1 A 15 15 LEU H H 45 8.734 8.434 0.300 1
1 172 . 18 1 1 A 15 15 LEU HA H 45 3.809 4.031 -0.222 1
1 182 . 18 1 1 A 15 15 LEU C C 45 179.204 179.434 -0.230 1
1 183 . 18 1 1 A 15 15 LEU CA C 45 58.248 57.912 0.336 1
1 184 . 18 1 1 A 15 15 LEU CB C 45 42.076 41.216 0.860 1
1 188 . 18 1 1 A 15 15 LEU N N 45 117.856 120.024 -2.168 1
1 189 . 18 1 1 A 16 16 ARG H H 46 8.280 8.383 -0.103 1
1 190 . 18 1 1 A 16 16 ARG HA H 46 3.863 4.146 -0.283 1
1 200 . 18 1 1 A 16 16 ARG C C 46 179.432 179.041 0.391 1
1 201 . 18 1 1 A 16 16 ARG CA C 46 60.779 59.374 1.405 1
1 202 . 18 1 1 A 16 16 ARG CB C 46 29.824 29.785 0.039 1
1 205 . 18 1 1 A 16 16 ARG N N 46 115.954 119.487 -3.533 1
1 209 . 18 1 1 A 17 17 ASN H H 47 7.433 8.003 -0.570 1
1 210 . 18 1 1 A 17 17 ASN HA H 47 4.458 4.512 -0.054 1
1 215 . 18 1 1 A 17 17 ASN C C 47 177.657 178.078 -0.421 1
1 216 . 18 1 1 A 17 17 ASN CA C 47 56.297 56.219 0.078 1
1 217 . 18 1 1 A 17 17 ASN CB C 47 38.540 38.227 0.313 1
1 219 . 18 1 1 A 17 17 ASN N N 47 118.514 117.701 0.813 1
1 221 . 18 1 1 A 18 18 TYR H H 48 8.945 8.519 0.426 1
1 222 . 18 1 1 A 18 18 TYR HA H 48 4.184 4.328 -0.144 1
1 229 . 18 1 1 A 18 18 TYR C C 48 177.806 178.254 -0.448 1
1 230 . 18 1 1 A 18 18 TYR CA C 48 58.651 60.743 -2.092 1
1 231 . 18 1 1 A 18 18 TYR CB C 48 36.527 37.734 -1.207 1
1 234 . 18 1 1 A 18 18 TYR N N 48 121.714 119.295 2.419 1
1 235 . 18 1 1 A 19 19 LEU H H 49 8.293 8.159 0.134 1
1 236 . 18 1 1 A 19 19 LEU HA H 49 3.410 3.545 -0.135 1
1 246 . 18 1 1 A 19 19 LEU C C 49 179.153 179.184 -0.031 1
1 247 . 18 1 1 A 19 19 LEU CA C 49 57.822 57.835 -0.013 1
1 248 . 18 1 1 A 19 19 LEU CB C 49 41.929 41.328 0.601 1
1 252 . 18 1 1 A 19 19 LEU N N 49 119.284 120.287 -1.003 1
1 253 . 18 1 1 A 20 20 LYS H H 50 7.322 8.137 -0.815 1
1 254 . 18 1 1 A 20 20 LYS HA H 50 3.893 3.751 0.142 1
1 263 . 18 1 1 A 20 20 LYS C C 50 177.980 179.743 -1.763 1
1 264 . 18 1 1 A 20 20 LYS CA C 50 59.104 60.273 -1.169 1
1 265 . 18 1 1 A 20 20 LYS CB C 50 32.348 32.038 0.310 1
1 269 . 18 1 1 A 20 20 LYS N N 50 117.005 116.999 0.006 1
1 270 . 18 1 1 A 21 21 LYS H H 51 7.435 7.822 -0.387 1
1 271 . 18 1 1 A 21 21 LYS HA H 51 4.080 3.961 0.119 1
1 280 . 18 1 1 A 21 21 LYS C C 51 178.971 178.277 0.694 1
1 281 . 18 1 1 A 21 21 LYS CA C 51 57.418 59.086 -1.668 1
1 282 . 18 1 1 A 21 21 LYS CB C 51 32.675 32.081 0.594 1
1 286 . 18 1 1 A 21 21 LYS N N 51 115.946 119.435 -3.489 1
1 287 . 18 1 1 A 22 22 GLY H H 52 8.290 7.858 0.432 1
1 288 . 18 1 1 A 22 22 GLY HA2 H 52 3.897 3.994 -0.097 1
1 289 . 18 1 1 A 22 22 GLY HA3 H 52 4.181 4.050 0.131 1
1 290 . 18 1 1 A 22 22 GLY C C 52 173.610 174.149 -0.539 1
1 291 . 18 1 1 A 22 22 GLY CA C 52 45.088 45.385 -0.297 1
1 292 . 18 1 1 A 22 22 GLY N N 52 105.432 107.748 -2.316 1
1 293 . 18 1 1 A 23 23 THR H H 53 7.148 7.906 -0.758 1
1 294 . 18 1 1 A 23 23 THR HA H 53 4.838 4.388 0.450 1
1 300 . 18 1 1 A 23 23 THR C C 53 174.444 175.145 -0.701 1
1 301 . 18 1 1 A 23 23 THR CA C 53 59.766 60.999 -1.233 1
1 302 . 18 1 1 A 23 23 THR CB C 53 72.471 71.341 1.130 1
1 304 . 18 1 1 A 23 23 THR N N 53 107.608 112.223 -4.615 1
1 305 . 18 1 1 A 24 24 LYS H H 54 8.414 8.733 -0.319 1
1 306 . 18 1 1 A 24 24 LYS HA H 54 4.355 4.170 0.185 1
1 315 . 18 1 1 A 24 24 LYS C C 54 177.632 176.495 1.137 1
1 316 . 18 1 1 A 24 24 LYS CA C 54 57.393 58.021 -0.628 1
1 317 . 18 1 1 A 24 24 LYS CB C 54 32.806 33.007 -0.201 1
1 321 . 18 1 1 A 24 24 LYS N N 54 118.924 120.376 -1.452 1
1 322 . 18 1 1 A 25 25 ASN H H 55 7.823 7.817 0.006 1
1 323 . 18 1 1 A 25 25 ASN HA H 55 4.992 5.018 -0.026 1
1 328 . 18 1 1 A 25 25 ASN C C 55 174.882 174.712 0.170 1
1 329 . 18 1 1 A 25 25 ASN CA C 55 51.540 52.911 -1.371 1
1 330 . 18 1 1 A 25 25 ASN CB C 55 38.209 41.952 -3.743 1
1 332 . 18 1 1 A 25 25 ASN N N 55 116.576 115.267 1.309 1
1 334 . 18 1 1 A 26 26 SER H H 56 8.557 8.694 -0.137 1
1 335 . 18 1 1 A 26 26 SER HA H 56 4.145 4.632 -0.487 1
1 338 . 18 1 1 A 26 26 SER C C 56 176.886 176.517 0.369 1
1 339 . 18 1 1 A 26 26 SER CA C 56 61.051 59.602 1.449 1
1 340 . 18 1 1 A 26 26 SER CB C 56 62.398 64.138 -1.740 1
1 341 . 18 1 1 A 26 26 SER N N 56 118.968 119.201 -0.233 1
1 342 . 18 1 1 A 27 27 ALA H H 57 8.133 7.769 0.364 1
1 343 . 18 1 1 A 27 27 ALA HA H 57 4.277 4.101 0.176 1
1 347 . 18 1 1 A 27 27 ALA C C 57 177.779 179.787 -2.008 1
1 348 . 18 1 1 A 27 27 ALA CA C 57 54.020 55.048 -1.028 1
1 349 . 18 1 1 A 27 27 ALA CB C 57 18.258 18.264 -0.006 1
1 350 . 18 1 1 A 27 27 ALA N N 57 125.334 122.758 2.576 1
1 351 . 18 1 1 A 28 28 GLN H H 58 7.113 8.213 -1.100 1
1 352 . 18 1 1 A 28 28 GLN HA H 58 4.262 4.264 -0.002 1
1 359 . 18 1 1 A 28 28 GLN C C 58 174.984 176.300 -1.316 1
1 360 . 18 1 1 A 28 28 GLN CA C 58 56.272 56.785 -0.513 1
1 361 . 18 1 1 A 28 28 GLN CB C 58 28.627 27.845 0.782 1
1 364 . 18 1 1 A 28 28 GLN N N 58 112.472 113.852 -1.380 1
1 366 . 18 1 1 A 29 29 PHE H H 59 7.361 7.524 -0.163 1
1 367 . 18 1 1 A 29 29 PHE HA H 59 4.622 4.617 0.005 1
1 375 . 18 1 1 A 29 29 PHE C C 59 173.987 175.382 -1.395 1
1 376 . 18 1 1 A 29 29 PHE CA C 59 59.534 58.928 0.606 1
1 377 . 18 1 1 A 29 29 PHE CB C 59 38.939 39.792 -0.853 1
1 381 . 18 1 1 A 29 29 PHE N N 59 118.258 119.817 -1.559 1
1 382 . 18 1 1 A 30 30 GLU H H 60 9.228 9.728 -0.500 1
1 383 . 18 1 1 A 30 30 GLU HA H 60 4.479 4.659 -0.180 1
1 388 . 18 1 1 A 30 30 GLU C C 60 176.282 175.984 0.298 1
1 389 . 18 1 1 A 30 30 GLU CA C 60 57.063 57.775 -0.712 1
1 390 . 18 1 1 A 30 30 GLU CB C 60 33.512 33.052 0.460 1
1 392 . 18 1 1 A 30 30 GLU N N 60 125.247 123.737 1.510 1
1 393 . 18 1 1 A 31 31 LYS H H 61 7.998 7.999 -0.001 1
1 394 . 18 1 1 A 31 31 LYS HA H 61 5.074 4.986 0.088 1
1 403 . 18 1 1 A 31 31 LYS C C 61 172.325 174.530 -2.205 1
1 404 . 18 1 1 A 31 31 LYS CA C 61 54.881 55.099 -0.218 1
1 405 . 18 1 1 A 31 31 LYS CB C 61 35.683 35.881 -0.198 1
1 409 . 18 1 1 A 31 31 LYS N N 61 113.709 115.674 -1.965 1
1 410 . 18 1 1 A 32 32 MET H H 62 9.051 9.350 -0.299 1
1 411 . 18 1 1 A 32 32 MET HA H 62 5.630 5.391 0.239 1
1 419 . 18 1 1 A 32 32 MET C C 62 172.898 174.066 -1.168 1
1 420 . 18 1 1 A 32 32 MET CA C 62 53.043 52.974 0.069 1
1 421 . 18 1 1 A 32 32 MET CB C 62 35.214 35.770 -0.556 1
1 424 . 18 1 1 A 32 32 MET N N 62 118.635 117.009 1.626 1
1 425 . 18 1 1 A 33 33 VAL H H 63 9.186 9.125 0.061 1
1 426 . 18 1 1 A 33 33 VAL HA H 63 4.700 4.965 -0.265 1
1 434 . 18 1 1 A 33 33 VAL C C 63 174.133 173.751 0.382 1
1 435 . 18 1 1 A 33 33 VAL CA C 63 61.351 60.074 1.277 1
1 436 . 18 1 1 A 33 33 VAL CB C 63 34.651 35.087 -0.436 1
1 439 . 18 1 1 A 33 33 VAL N N 63 122.441 118.840 3.601 1
1 440 . 18 1 1 A 34 34 ILE H H 64 9.244 9.068 0.176 1
1 441 . 18 1 1 A 34 34 ILE HA H 64 4.302 4.749 -0.447 1
1 451 . 18 1 1 A 34 34 ILE C C 64 174.924 174.629 0.295 1
1 452 . 18 1 1 A 34 34 ILE CA C 64 60.422 59.690 0.732 1
1 453 . 18 1 1 A 34 34 ILE CB C 64 41.255 39.839 1.416 1
1 457 . 18 1 1 A 34 34 ILE N N 64 127.876 129.121 -1.245 1
1 458 . 18 1 1 A 35 35 LEU H H 65 9.117 9.356 -0.239 1
1 459 . 18 1 1 A 35 35 LEU HA H 65 5.531 5.292 0.239 1
1 469 . 18 1 1 A 35 35 LEU C C 65 178.538 176.783 1.755 1
1 470 . 18 1 1 A 35 35 LEU CA C 65 53.047 53.792 -0.745 1
1 471 . 18 1 1 A 35 35 LEU CB C 65 43.797 43.441 0.356 1
1 475 . 18 1 1 A 35 35 LEU N N 65 125.572 127.517 -1.945 1
1 476 . 18 1 1 A 36 36 THR H H 66 8.634 8.842 -0.208 1
1 477 . 18 1 1 A 36 36 THR HA H 66 5.212 5.171 0.041 1
1 482 . 18 1 1 A 36 36 THR C C 66 174.918 174.936 -0.018 1
1 483 . 18 1 1 A 36 36 THR CA C 66 59.374 60.355 -0.981 1
1 484 . 18 1 1 A 36 36 THR CB C 66 72.100 71.340 0.760 1
1 486 . 18 1 1 A 36 36 THR N N 66 112.840 116.104 -3.264 1
1 487 . 18 1 1 A 37 37 GLU H H 67 8.580 8.672 -0.092 1
1 488 . 18 1 1 A 37 37 GLU HA H 67 4.469 4.313 0.156 1
1 493 . 18 1 1 A 37 37 GLU C C 67 177.333 176.885 0.448 1
1 494 . 18 1 1 A 37 37 GLU CA C 67 57.348 56.471 0.877 1
1 495 . 18 1 1 A 37 37 GLU CB C 67 31.357 30.491 0.866 1
1 497 . 18 1 1 A 37 37 GLU N N 67 118.675 121.793 -3.118 1
1 498 . 18 1 1 A 38 38 ASN H H 68 8.580 9.376 -0.796 1
1 499 . 18 1 1 A 38 38 ASN HA H 68 3.768 4.577 -0.809 1
1 504 . 18 1 1 A 38 38 ASN C C 68 172.921 174.676 -1.755 1
1 505 . 18 1 1 A 38 38 ASN CA C 68 54.686 54.719 -0.033 1
1 506 . 18 1 1 A 38 38 ASN CB C 68 36.511 37.052 -0.541 1
1 508 . 18 1 1 A 38 38 ASN N N 68 114.341 117.625 -3.284 1
1 510 . 18 1 1 A 39 39 LYS H H 69 7.891 8.635 -0.744 1
1 511 . 18 1 1 A 39 39 LYS HA H 69 3.936 3.845 0.091 1
1 520 . 18 1 1 A 39 39 LYS C C 69 177.032 176.206 0.826 1
1 521 . 18 1 1 A 39 39 LYS CA C 69 56.758 57.486 -0.728 1
1 522 . 18 1 1 A 39 39 LYS CB C 69 28.099 29.810 -1.711 1
1 526 . 18 1 1 A 39 39 LYS N N 69 107.932 109.394 -1.462 1
1 527 . 18 1 1 A 40 40 GLY H H 70 6.998 8.068 -1.070 1
1 528 . 18 1 1 A 40 40 GLY HA2 H 70 4.362 3.795 0.567 1
1 529 . 18 1 1 A 40 40 GLY HA3 H 70 3.875 4.007 -0.132 1
1 530 . 18 1 1 A 40 40 GLY C C 70 173.763 172.111 1.652 1
1 531 . 18 1 1 A 40 40 GLY CA C 70 46.628 45.807 0.821 1
1 532 . 18 1 1 A 40 40 GLY N N 70 107.011 107.206 -0.195 1
1 533 . 18 1 1 A 41 41 TYR H H 71 7.679 8.540 -0.861 1
1 534 . 18 1 1 A 41 41 TYR HA H 71 5.097 5.355 -0.258 1
1 541 . 18 1 1 A 41 41 TYR C C 71 174.452 173.533 0.919 1
1 542 . 18 1 1 A 41 41 TYR CA C 71 57.730 55.681 2.049 1
1 543 . 18 1 1 A 41 41 TYR CB C 71 40.474 41.364 -0.890 1
1 546 . 18 1 1 A 41 41 TYR N N 71 129.822 125.039 4.783 1
1 547 . 18 1 1 A 42 42 TYR H H 72 9.101 9.098 0.003 1
1 548 . 18 1 1 A 42 42 TYR HA H 72 4.875 5.092 -0.217 1
1 555 . 18 1 1 A 42 42 TYR C C 72 174.448 174.946 -0.498 1
1 556 . 18 1 1 A 42 42 TYR CA C 72 56.114 56.564 -0.450 1
1 557 . 18 1 1 A 42 42 TYR CB C 72 41.115 39.759 1.356 1
1 560 . 18 1 1 A 42 42 TYR N N 72 126.527 127.647 -1.120 1
1 561 . 18 1 1 A 43 43 THR H H 73 9.022 8.644 0.378 1
1 562 . 18 1 1 A 43 43 THR HA H 73 4.876 4.558 0.318 1
1 567 . 18 1 1 A 43 43 THR C C 73 174.791 174.203 0.588 1
1 568 . 18 1 1 A 43 43 THR CA C 73 62.821 62.505 0.316 1
1 569 . 18 1 1 A 43 43 THR CB C 73 68.769 69.505 -0.736 1
1 571 . 18 1 1 A 43 43 THR N N 73 120.810 119.267 1.543 1
1 572 . 18 1 1 A 44 44 VAL H H 74 9.233 8.597 0.636 1
1 573 . 18 1 1 A 44 44 VAL HA H 74 4.427 4.400 0.027 1
1 581 . 18 1 1 A 44 44 VAL C C 74 175.094 173.986 1.108 1
1 582 . 18 1 1 A 44 44 VAL CA C 74 61.457 61.029 0.428 1
1 583 . 18 1 1 A 44 44 VAL CB C 74 35.669 35.074 0.595 1
1 586 . 18 1 1 A 44 44 VAL N N 74 129.156 125.440 3.716 1
1 587 . 18 1 1 A 45 45 TYR H H 75 9.384 8.854 0.530 1
1 588 . 18 1 1 A 45 45 TYR HA H 75 4.528 4.846 -0.318 1
1 595 . 18 1 1 A 45 45 TYR C C 75 176.497 175.973 0.524 1
1 596 . 18 1 1 A 45 45 TYR CA C 75 59.843 57.811 2.032 1
1 597 . 18 1 1 A 45 45 TYR CB C 75 38.245 38.347 -0.102 1
1 600 . 18 1 1 A 45 45 TYR N N 75 128.465 127.189 1.276 1
1 601 . 18 1 1 A 46 46 LEU H H 76 8.524 9.031 -0.507 1
1 602 . 18 1 1 A 46 46 LEU HA H 76 4.528 4.230 0.298 1
1 612 . 18 1 1 A 46 46 LEU C C 76 177.001 178.598 -1.597 1
1 613 . 18 1 1 A 46 46 LEU CA C 76 55.010 57.110 -2.100 1
1 614 . 18 1 1 A 46 46 LEU CB C 76 42.094 41.868 0.226 1
1 618 . 18 1 1 A 46 46 LEU N N 76 119.547 126.244 -6.697 1
1 619 . 18 1 1 A 47 47 ASN H H 77 8.599 8.196 0.403 1
1 620 . 18 1 1 A 47 47 ASN HA H 77 4.618 4.671 -0.053 1
1 625 . 18 1 1 A 47 47 ASN C C 77 173.844 174.902 -1.058 1
1 626 . 18 1 1 A 47 47 ASN CA C 77 54.045 54.059 -0.014 1
1 627 . 18 1 1 A 47 47 ASN CB C 77 37.058 37.376 -0.318 1
1 629 . 18 1 1 A 47 47 ASN N N 77 116.407 114.078 2.329 1
1 631 . 18 1 1 A 48 48 THR H H 78 7.429 7.504 -0.075 1
1 632 . 18 1 1 A 48 48 THR HA H 78 4.803 4.805 -0.002 1
1 637 . 18 1 1 A 48 48 THR C C 78 175.201 171.807 3.394 1
1 638 . 18 1 1 A 48 48 THR CA C 78 58.577 58.347 0.230 1
1 639 . 18 1 1 A 48 48 THR CB C 78 70.494 72.397 -1.903 1
1 641 . 18 1 1 A 48 48 THR N N 78 111.551 112.917 -1.366 1
1 642 . 18 1 1 A 49 49 PRO HA H 79 4.462 4.528 -0.066 1
1 649 . 18 1 1 A 49 49 PRO C C 79 176.670 177.080 -0.410 1
1 650 . 18 1 1 A 49 49 PRO CA C 79 62.384 62.912 -0.528 1
1 651 . 18 1 1 A 49 49 PRO CB C 79 32.205 32.002 0.203 1
1 654 . 18 1 1 A 50 50 LEU H H 80 9.049 8.288 0.761 1
1 655 . 18 1 1 A 50 50 LEU HA H 80 4.081 4.283 -0.202 1
1 665 . 18 1 1 A 50 50 LEU C C 80 176.758 176.678 0.080 1
1 666 . 18 1 1 A 50 50 LEU CA C 80 55.315 54.534 0.781 1
1 667 . 18 1 1 A 50 50 LEU CB C 80 41.915 42.627 -0.712 1
1 671 . 18 1 1 A 50 50 LEU N N 80 126.341 119.257 7.084 1
1 672 . 18 1 1 A 51 51 ALA H H 81 8.415 8.794 -0.379 1
1 673 . 18 1 1 A 51 51 ALA HA H 81 4.187 4.405 -0.218 1
1 677 . 18 1 1 A 51 51 ALA C C 81 179.005 178.887 0.118 1
1 678 . 18 1 1 A 51 51 ALA CA C 81 52.851 52.883 -0.032 1
1 679 . 18 1 1 A 51 51 ALA CB C 81 19.625 19.351 0.274 1
1 680 . 18 1 1 A 51 51 ALA N N 81 129.745 124.337 5.408 1
1 681 . 18 1 1 A 52 52 GLU H H 82 8.739 8.850 -0.111 1
1 682 . 18 1 1 A 52 52 GLU HA H 82 3.815 4.054 -0.239 1
1 687 . 18 1 1 A 52 52 GLU C C 82 178.591 178.114 0.477 1
1 688 . 18 1 1 A 52 52 GLU CA C 82 59.566 58.731 0.835 1
1 689 . 18 1 1 A 52 52 GLU CB C 82 29.774 29.058 0.716 1
1 691 . 18 1 1 A 52 52 GLU N N 82 121.424 124.289 -2.865 1
1 692 . 18 1 1 A 53 53 ASP H H 83 8.511 8.113 0.398 1
1 693 . 18 1 1 A 53 53 ASP HA H 83 4.427 4.448 -0.021 1
1 696 . 18 1 1 A 53 53 ASP C C 83 177.306 178.910 -1.604 1
1 697 . 18 1 1 A 53 53 ASP CA C 83 55.398 56.556 -1.158 1
1 698 . 18 1 1 A 53 53 ASP CB C 83 39.430 39.903 -0.473 1
1 699 . 18 1 1 A 53 53 ASP N N 83 114.043 120.178 -6.135 1
1 700 . 18 1 1 A 54 54 ARG H H 84 7.800 8.088 -0.288 1
1 701 . 18 1 1 A 54 54 ARG HA H 84 4.527 4.108 0.419 1
1 710 . 18 1 1 A 54 54 ARG C C 84 176.966 178.052 -1.086 1
1 711 . 18 1 1 A 54 54 ARG CA C 84 55.915 58.978 -3.063 1
1 712 . 18 1 1 A 54 54 ARG CB C 84 31.804 30.051 1.753 1
1 715 . 18 1 1 A 54 54 ARG N N 84 118.147 119.448 -1.301 1
1 718 . 18 1 1 A 55 55 LYS H H 85 7.335 7.639 -0.304 1
1 719 . 18 1 1 A 55 55 LYS HA H 85 3.551 4.165 -0.614 1
1 728 . 18 1 1 A 55 55 LYS C C 85 178.113 177.554 0.559 1
1 729 . 18 1 1 A 55 55 LYS CA C 85 59.887 58.093 1.794 1
1 730 . 18 1 1 A 55 55 LYS CB C 85 32.935 32.105 0.830 1
1 734 . 18 1 1 A 55 55 LYS N N 85 116.576 118.211 -1.635 1
1 735 . 18 1 1 A 56 56 ASN H H 86 8.347 7.839 0.508 1
1 736 . 18 1 1 A 56 56 ASN HA H 86 4.886 4.987 -0.101 1
1 741 . 18 1 1 A 56 56 ASN C C 86 174.736 174.871 -0.135 1
1 742 . 18 1 1 A 56 56 ASN CA C 86 52.265 52.899 -0.634 1
1 743 . 18 1 1 A 56 56 ASN CB C 86 38.239 40.026 -1.787 1
1 745 . 18 1 1 A 56 56 ASN N N 86 114.341 115.518 -1.177 1
1 747 . 18 1 1 A 57 57 VAL H H 87 6.985 7.459 -0.474 1
1 748 . 18 1 1 A 57 57 VAL HA H 87 3.746 4.136 -0.390 1
1 756 . 18 1 1 A 57 57 VAL C C 87 175.380 175.948 -0.568 1
1 757 . 18 1 1 A 57 57 VAL CA C 87 63.723 62.194 1.529 1
1 758 . 18 1 1 A 57 57 VAL CB C 87 32.650 33.224 -0.574 1
1 761 . 18 1 1 A 57 57 VAL N N 87 121.424 121.667 -0.243 1
1 762 . 18 1 1 A 58 58 GLU H H 88 8.777 8.537 0.240 1
1 763 . 18 1 1 A 58 58 GLU HA H 88 4.339 4.406 -0.067 1
1 768 . 18 1 1 A 58 58 GLU C C 88 176.364 176.316 0.048 1
1 769 . 18 1 1 A 58 58 GLU CA C 88 56.085 56.733 -0.648 1
1 770 . 18 1 1 A 58 58 GLU CB C 88 29.861 30.497 -0.636 1
1 772 . 18 1 1 A 58 58 GLU N N 88 129.489 126.434 3.055 1
1 773 . 18 1 1 A 59 59 LEU H H 89 8.230 8.842 -0.612 1
1 774 . 18 1 1 A 59 59 LEU HA H 89 4.299 4.660 -0.361 1
1 784 . 18 1 1 A 59 59 LEU C C 89 178.976 176.803 2.173 1
1 785 . 18 1 1 A 59 59 LEU CA C 89 54.651 53.690 0.961 1
1 786 . 18 1 1 A 59 59 LEU CB C 89 42.596 42.651 -0.055 1
1 790 . 18 1 1 A 59 59 LEU N N 89 124.395 123.337 1.058 1
1 791 . 18 1 1 A 60 60 LEU H H 90 7.777 9.212 -1.435 1
1 792 . 18 1 1 A 60 60 LEU HA H 90 4.135 4.107 0.028 1
1 802 . 18 1 1 A 60 60 LEU C C 90 176.394 176.959 -0.565 1
1 803 . 18 1 1 A 60 60 LEU CA C 90 56.754 57.737 -0.983 1
1 804 . 18 1 1 A 60 60 LEU CB C 90 42.413 42.212 0.201 1
1 808 . 18 1 1 A 60 60 LEU N N 90 119.734 126.184 -6.450 1
1 809 . 18 1 1 A 61 61 GLY H H 91 7.224 7.567 -0.343 1
1 810 . 18 1 1 A 61 61 GLY HA2 H 91 4.165 4.081 0.084 1
1 811 . 18 1 1 A 61 61 GLY HA3 H 91 3.899 4.102 -0.203 1
1 812 . 18 1 1 A 61 61 GLY C C 91 171.742 172.608 -0.866 1
1 813 . 18 1 1 A 61 61 GLY CA C 91 44.969 45.643 -0.674 1
1 814 . 18 1 1 A 61 61 GLY N N 91 103.707 104.371 -0.664 1
1 815 . 18 1 1 A 62 62 LYS H H 92 8.771 8.379 0.392 1
1 816 . 18 1 1 A 62 62 LYS HA H 92 4.150 4.269 -0.119 1
1 825 . 18 1 1 A 62 62 LYS C C 92 177.522 176.262 1.260 1
1 826 . 18 1 1 A 62 62 LYS CA C 92 56.750 56.616 0.134 1
1 827 . 18 1 1 A 62 62 LYS CB C 92 33.835 32.900 0.935 1
1 831 . 18 1 1 A 62 62 LYS N N 92 118.635 120.534 -1.899 1
1 832 . 18 1 1 A 63 63 MET H H 93 9.188 8.399 0.789 1
1 833 . 18 1 1 A 63 63 MET HA H 93 3.835 4.474 -0.639 1
1 841 . 18 1 1 A 63 63 MET C C 93 173.913 175.649 -1.736 1
1 842 . 18 1 1 A 63 63 MET CA C 93 59.275 53.914 5.361 1
1 843 . 18 1 1 A 63 63 MET CB C 93 31.483 30.982 0.501 1
1 846 . 18 1 1 A 63 63 MET N N 93 123.413 123.743 -0.330 1
1 847 . 18 1 1 A 64 64 TYR H H 94 9.421 8.582 0.839 1
1 848 . 18 1 1 A 64 64 TYR HA H 94 4.767 4.193 0.574 1
1 855 . 18 1 1 A 64 64 TYR C C 94 173.918 174.884 -0.966 1
1 856 . 18 1 1 A 64 64 TYR CA C 94 56.933 61.353 -4.420 1
1 857 . 18 1 1 A 64 64 TYR CB C 94 40.020 39.204 0.816 1
1 860 . 18 1 1 A 64 64 TYR N N 94 129.403 125.758 3.645 1
1 861 . 18 1 1 A 65 65 LYS H H 95 7.289 7.340 -0.051 1
1 862 . 18 1 1 A 65 65 LYS HA H 95 4.688 4.667 0.021 1
1 871 . 18 1 1 A 65 65 LYS C C 95 175.000 174.029 0.971 1
1 872 . 18 1 1 A 65 65 LYS CA C 95 55.841 55.356 0.485 1
1 873 . 18 1 1 A 65 65 LYS CB C 95 40.404 35.643 4.761 1
1 877 . 18 1 1 A 65 65 LYS N N 95 118.804 118.129 0.675 1
1 878 . 18 1 1 A 66 66 THR H H 96 8.727 8.017 0.710 1
1 879 . 18 1 1 A 66 66 THR HA H 96 5.149 5.033 0.116 1
1 885 . 18 1 1 A 66 66 THR C C 96 172.120 172.785 -0.665 1
1 886 . 18 1 1 A 66 66 THR CA C 96 62.226 60.573 1.653 1
1 887 . 18 1 1 A 66 66 THR CB C 96 71.787 71.931 -0.144 1
1 889 . 18 1 1 A 66 66 THR N N 96 116.235 118.356 -2.121 1
1 890 . 18 1 1 A 67 67 TYR H H 97 8.969 9.053 -0.084 1
1 891 . 18 1 1 A 67 67 TYR HA H 97 5.027 5.298 -0.271 1
1 898 . 18 1 1 A 67 67 TYR C C 97 175.077 174.601 0.476 1
1 899 . 18 1 1 A 67 67 TYR CA C 97 57.278 56.835 0.443 1
1 900 . 18 1 1 A 67 67 TYR CB C 97 42.054 42.881 -0.827 1
1 903 . 18 1 1 A 67 67 TYR N N 97 125.256 123.952 1.304 1
1 904 . 18 1 1 A 68 68 PHE H H 98 9.189 8.985 0.204 1
1 905 . 18 1 1 A 68 68 PHE HA H 98 5.177 5.244 -0.067 1
1 913 . 18 1 1 A 68 68 PHE C C 98 174.791 174.583 0.208 1
1 914 . 18 1 1 A 68 68 PHE CA C 98 57.825 56.436 1.389 1
1 915 . 18 1 1 A 68 68 PHE CB C 98 42.377 43.609 -1.232 1
1 919 . 18 1 1 A 68 68 PHE N N 98 118.574 119.793 -1.219 1
1 920 . 18 1 1 A 69 69 PHE H H 99 8.976 9.741 -0.765 1
1 921 . 18 1 1 A 69 69 PHE HA H 99 4.893 5.324 -0.431 1
1 929 . 18 1 1 A 69 69 PHE C C 99 176.386 175.311 1.075 1
1 930 . 18 1 1 A 69 69 PHE CA C 99 56.777 56.288 0.489 1
1 931 . 18 1 1 A 69 69 PHE CB C 99 41.371 42.836 -1.465 1
1 935 . 18 1 1 A 69 69 PHE N N 99 119.573 119.892 -0.319 1
1 936 . 18 1 1 A 70 70 LYS H H 100 9.479 9.052 0.427 1
1 937 . 18 1 1 A 70 70 LYS HA H 100 4.533 4.461 0.072 1
1 946 . 18 1 1 A 70 70 LYS C C 100 176.156 176.985 -0.829 1
1 947 . 18 1 1 A 70 70 LYS CA C 100 56.706 55.748 0.958 1
1 948 . 18 1 1 A 70 70 LYS CB C 100 33.667 33.274 0.393 1
1 952 . 18 1 1 A 70 70 LYS N N 100 125.614 122.952 2.662 1
1 953 . 18 1 1 A 71 71 LYS H H 101 8.068 8.119 -0.051 1
1 954 . 18 1 1 A 71 71 LYS HA H 101 4.188 3.857 0.331 1
1 963 . 18 1 1 A 71 71 LYS C C 101 177.655 177.632 0.023 1
1 964 . 18 1 1 A 71 71 LYS CA C 101 58.238 58.933 -0.695 1
1 965 . 18 1 1 A 71 71 LYS CB C 101 32.342 32.236 0.106 1
1 969 . 18 1 1 A 71 71 LYS N N 101 121.057 121.372 -0.315 1
1 970 . 18 1 1 A 72 72 GLY H H 102 8.899 9.153 -0.254 1
1 971 . 18 1 1 A 72 72 GLY HA2 H 102 4.196 3.912 0.284 1
1 972 . 18 1 1 A 72 72 GLY HA3 H 102 3.815 3.919 -0.104 1
1 973 . 18 1 1 A 72 72 GLY C C 102 173.997 174.293 -0.296 1
1 974 . 18 1 1 A 72 72 GLY CA C 102 45.802 45.655 0.147 1
1 975 . 18 1 1 A 72 72 GLY N N 102 114.112 112.687 1.425 1
1 976 . 18 1 1 A 73 73 GLU H H 103 8.047 7.782 0.265 1
1 977 . 18 1 1 A 73 73 GLU HA H 103 4.764 4.385 0.379 1
1 982 . 18 1 1 A 73 73 GLU C C 103 175.975 176.951 -0.976 1
1 983 . 18 1 1 A 73 73 GLU CA C 103 56.295 57.193 -0.898 1
1 984 . 18 1 1 A 73 73 GLU CB C 103 31.153 30.873 0.280 1
1 986 . 18 1 1 A 73 73 GLU N N 103 119.538 121.346 -1.808 1
1 987 . 18 1 1 A 74 74 SER H H 104 8.742 8.825 -0.083 1
1 988 . 18 1 1 A 74 74 SER HA H 104 4.598 4.837 -0.239 1
1 991 . 18 1 1 A 74 74 SER C C 104 171.916 174.044 -2.128 1
1 992 . 18 1 1 A 74 74 SER CA C 104 58.363 57.031 1.332 1
1 993 . 18 1 1 A 74 74 SER CB C 104 64.025 64.505 -0.480 1
1 994 . 18 1 1 A 74 74 SER N N 104 115.383 113.463 1.920 1
1 995 . 18 1 1 A 75 75 LYS H H 105 7.608 7.562 0.046 1
1 996 . 18 1 1 A 75 75 LYS HA H 105 5.588 5.103 0.485 1
1 1005 . 18 1 1 A 75 75 LYS C C 105 176.017 174.463 1.554 1
1 1006 . 18 1 1 A 75 75 LYS CA C 105 54.548 55.614 -1.066 1
1 1007 . 18 1 1 A 75 75 LYS CB C 105 35.211 36.102 -0.891 1
1 1011 . 18 1 1 A 75 75 LYS N N 105 121.040 123.353 -2.313 1
1 1012 . 18 1 1 A 76 76 SER H H 106 8.231 8.947 -0.716 1
1 1013 . 18 1 1 A 76 76 SER HA H 106 3.377 4.476 -1.099 1
1 1016 . 18 1 1 A 76 76 SER C C 106 172.571 174.719 -2.148 1
1 1017 . 18 1 1 A 76 76 SER CA C 106 59.650 58.493 1.157 1
1 1018 . 18 1 1 A 76 76 SER CB C 106 64.857 63.530 1.327 1
1 1019 . 18 1 1 A 76 76 SER N N 106 121.783 121.000 0.783 1
1 1020 . 18 1 1 A 77 77 SER H H 107 8.333 8.883 -0.550 1
1 1021 . 18 1 1 A 77 77 SER HA H 107 5.025 4.891 0.134 1
1 1024 . 18 1 1 A 77 77 SER C C 107 174.507 173.403 1.104 1
1 1025 . 18 1 1 A 77 77 SER CA C 107 57.561 58.186 -0.625 1
1 1026 . 18 1 1 A 77 77 SER CB C 107 65.330 64.772 0.558 1
1 1027 . 18 1 1 A 77 77 SER N N 107 106.276 119.447 -13.171 1
1 1028 . 18 1 1 A 78 78 TYR H H 108 7.825 7.477 0.348 1
1 1029 . 18 1 1 A 78 78 TYR HA H 108 4.754 4.839 -0.085 1
1 1036 . 18 1 1 A 78 78 TYR C C 108 171.725 173.707 -1.982 1
1 1037 . 18 1 1 A 78 78 TYR CA C 108 57.778 57.201 0.577 1
1 1038 . 18 1 1 A 78 78 TYR CB C 108 43.223 42.001 1.222 1
1 1041 . 18 1 1 A 78 78 TYR N N 108 126.289 122.119 4.170 1
1 1042 . 18 1 1 A 79 79 VAL H H 109 7.760 8.217 -0.457 1
1 1043 . 18 1 1 A 79 79 VAL HA H 109 5.215 4.973 0.242 1
1 1051 . 18 1 1 A 79 79 VAL C C 109 172.526 172.760 -0.234 1
1 1052 . 18 1 1 A 79 79 VAL CA C 109 59.193 59.908 -0.715 1
1 1053 . 18 1 1 A 79 79 VAL CB C 109 36.173 35.572 0.601 1
1 1056 . 18 1 1 A 79 79 VAL N N 109 127.825 125.747 2.078 1
1 1057 . 18 1 1 A 80 80 ILE H H 110 8.616 8.434 0.182 1
1 1058 . 18 1 1 A 80 80 ILE HA H 110 4.011 4.596 -0.585 1
1 1068 . 18 1 1 A 80 80 ILE C C 110 174.690 174.349 0.341 1
1 1069 . 18 1 1 A 80 80 ILE CA C 110 60.922 59.910 1.012 1
1 1070 . 18 1 1 A 80 80 ILE CB C 110 42.047 42.302 -0.255 1
1 1074 . 18 1 1 A 80 80 ILE N N 110 124.001 125.824 -1.823 1
1 1075 . 18 1 1 A 81 81 ASN H H 111 8.937 8.427 0.510 1
1 1076 . 18 1 1 A 81 81 ASN HA H 111 4.760 5.417 -0.657 1
1 1081 . 18 1 1 A 81 81 ASN C C 111 175.326 175.397 -0.071 1
1 1082 . 18 1 1 A 81 81 ASN CA C 111 53.600 51.241 2.359 1
1 1083 . 18 1 1 A 81 81 ASN CB C 111 40.412 41.205 -0.793 1
1 1085 . 18 1 1 A 81 81 ASN N N 111 126.229 123.751 2.478 1
1 1087 . 18 1 1 A 82 82 GLY H H 112 7.984 7.849 0.135 1
1 1088 . 18 1 1 A 82 82 GLY HA2 H 112 4.457 4.173 0.284 1
1 1089 . 18 1 1 A 82 82 GLY HA3 H 112 3.847 4.203 -0.356 1
1 1090 . 18 1 1 A 82 82 GLY C C 112 171.875 172.522 -0.647 1
1 1091 . 18 1 1 A 82 82 GLY CA C 112 43.303 45.413 -2.110 1
1 1092 . 18 1 1 A 82 82 GLY N N 112 110.894 108.490 2.404 1
1 1093 . 18 1 1 A 83 83 PRO HA H 113 4.609 4.717 -0.108 1
1 1100 . 18 1 1 A 83 83 PRO C C 113 178.327 176.571 1.756 1
1 1101 . 18 1 1 A 83 83 PRO CA C 113 63.342 62.932 0.410 1
1 1102 . 18 1 1 A 83 83 PRO CB C 113 32.232 31.848 0.384 1
1 1105 . 18 1 1 A 84 84 GLY H H 114 8.939 8.252 0.687 1
1 1106 . 18 1 1 A 84 84 GLY HA2 H 114 4.055 4.256 -0.201 1
1 1107 . 18 1 1 A 84 84 GLY HA3 H 114 3.192 4.341 -1.149 1
1 1108 . 18 1 1 A 84 84 GLY C C 114 172.587 173.827 -1.240 1
1 1109 . 18 1 1 A 84 84 GLY CA C 114 44.667 44.933 -0.266 1
1 1110 . 18 1 1 A 84 84 GLY N N 114 109.324 108.481 0.843 1
1 1111 . 18 1 1 A 85 85 LYS H H 115 9.550 9.052 0.498 1
1 1112 . 18 1 1 A 85 85 LYS HA H 115 4.527 4.488 0.039 1
1 1121 . 18 1 1 A 85 85 LYS C C 115 175.690 175.502 0.188 1
1 1122 . 18 1 1 A 85 85 LYS CA C 115 56.251 57.051 -0.800 1
1 1123 . 18 1 1 A 85 85 LYS CB C 115 34.217 35.474 -1.257 1
1 1127 . 18 1 1 A 85 85 LYS N N 115 119.240 120.534 -1.294 1
1 1128 . 18 1 1 A 86 86 THR H H 116 7.327 7.572 -0.245 1
1 1129 . 18 1 1 A 86 86 THR HA H 116 3.572 4.380 -0.808 1
1 1134 . 18 1 1 A 86 86 THR C C 116 170.519 173.369 -2.850 1
1 1135 . 18 1 1 A 86 86 THR CA C 116 59.094 60.135 -1.041 1
1 1136 . 18 1 1 A 86 86 THR CB C 116 68.191 70.822 -2.631 1
1 1138 . 18 1 1 A 86 86 THR N N 116 113.403 111.761 1.642 1
1 1139 . 18 1 1 A 87 87 ASN H H 117 8.035 8.876 -0.841 1
1 1140 . 18 1 1 A 87 87 ASN HA H 117 4.914 4.586 0.328 1
1 1145 . 18 1 1 A 87 87 ASN C C 117 175.798 177.240 -1.442 1
1 1146 . 18 1 1 A 87 87 ASN CA C 117 52.062 55.123 -3.061 1
1 1147 . 18 1 1 A 87 87 ASN CB C 117 40.563 38.389 2.174 1
1 1149 . 18 1 1 A 87 87 ASN N N 117 118.907 124.892 -5.985 1
1 1151 . 18 1 1 A 88 88 GLU H H 118 8.362 7.738 0.624 1
1 1152 . 18 1 1 A 88 88 GLU HA H 118 4.116 4.224 -0.108 1
1 1157 . 18 1 1 A 88 88 GLU C C 118 175.935 176.355 -0.420 1
1 1158 . 18 1 1 A 88 88 GLU CA C 118 55.589 58.059 -2.470 1
1 1159 . 18 1 1 A 88 88 GLU CB C 118 29.435 30.083 -0.648 1
1 1161 . 18 1 1 A 88 88 GLU N N 118 119.547 116.767 2.780 1
1 1162 . 18 1 1 A 89 89 TYR H H 119 7.918 7.763 0.155 1
1 1163 . 18 1 1 A 89 89 TYR HA H 119 4.639 4.827 -0.188 1
1 1170 . 18 1 1 A 89 89 TYR C C 119 175.750 174.732 1.018 1
1 1171 . 18 1 1 A 89 89 TYR CA C 119 59.270 56.939 2.331 1
1 1172 . 18 1 1 A 89 89 TYR CB C 119 38.274 39.987 -1.713 1
1 1175 . 18 1 1 A 89 89 TYR N N 119 118.293 116.315 1.978 1
1 1176 . 18 1 1 A 90 90 ALA H H 120 8.285 8.723 -0.438 1
1 1177 . 18 1 1 A 90 90 ALA HA H 120 4.273 4.276 -0.003 1
1 1181 . 18 1 1 A 90 90 ALA C C 120 175.773 175.870 -0.097 1
1 1182 . 18 1 1 A 90 90 ALA CA C 120 52.014 51.882 0.132 1
1 1183 . 18 1 1 A 90 90 ALA CB C 120 19.920 17.470 2.450 1
1 1184 . 18 1 1 A 90 90 ALA N N 120 126.212 124.083 2.129 1
1 11 . 19 1 1 A 2 2 SER HA H 32 4.469 4.467 0.002 1
1 14 . 19 1 1 A 2 2 SER C C 32 174.865 174.114 0.751 1
1 15 . 19 1 1 A 2 2 SER CA C 32 58.680 59.038 -0.358 1
1 16 . 19 1 1 A 2 2 SER CB C 32 63.805 63.519 0.286 1
1 17 . 19 1 1 A 3 3 GLY H H 33 8.513 8.330 0.183 1
1 18 . 19 1 1 A 3 3 GLY HA2 H 33 3.972 4.112 -0.140 1
1 19 . 19 1 1 A 3 3 GLY HA3 H 33 3.972 4.113 -0.141 1
1 20 . 19 1 1 A 3 3 GLY C C 33 173.735 171.643 2.092 1
1 21 . 19 1 1 A 3 3 GLY CA C 33 45.132 45.684 -0.552 1
1 22 . 19 1 1 A 3 3 GLY N N 33 110.526 112.061 -1.535 1
1 23 . 19 1 1 A 4 4 LEU H H 34 8.145 8.424 -0.279 1
1 24 . 19 1 1 A 4 4 LEU HA H 34 4.599 4.862 -0.263 1
1 34 . 19 1 1 A 4 4 LEU C C 34 175.201 176.431 -1.230 1
1 35 . 19 1 1 A 4 4 LEU CA C 34 53.002 51.801 1.201 1
1 36 . 19 1 1 A 4 4 LEU CB C 34 41.772 44.845 -3.073 1
1 40 . 19 1 1 A 4 4 LEU N N 34 122.423 120.888 1.535 1
1 41 . 19 1 1 A 5 5 PRO HA H 35 4.551 4.290 0.261 1
1 48 . 19 1 1 A 5 5 PRO C C 35 176.487 177.869 -1.382 1
1 49 . 19 1 1 A 5 5 PRO CA C 35 62.771 64.895 -2.124 1
1 50 . 19 1 1 A 5 5 PRO CB C 35 32.488 31.889 0.599 1
1 53 . 19 1 1 A 6 6 THR H H 36 8.447 8.035 0.412 1
1 54 . 19 1 1 A 6 6 THR HA H 36 4.445 3.972 0.473 1
1 59 . 19 1 1 A 6 6 THR C C 36 174.231 173.130 1.101 1
1 60 . 19 1 1 A 6 6 THR CA C 36 61.727 63.708 -1.981 1
1 61 . 19 1 1 A 6 6 THR CB C 36 69.213 68.321 0.892 1
1 63 . 19 1 1 A 6 6 THR N N 36 111.916 113.765 -1.849 1
1 64 . 19 1 1 A 7 7 THR H H 37 7.303 7.732 -0.429 1
1 65 . 19 1 1 A 7 7 THR HA H 37 5.232 4.874 0.358 1
1 70 . 19 1 1 A 7 7 THR C C 37 175.848 174.968 0.880 1
1 71 . 19 1 1 A 7 7 THR CA C 37 58.599 59.773 -1.174 1
1 72 . 19 1 1 A 7 7 THR CB C 37 71.971 72.041 -0.070 1
1 74 . 19 1 1 A 7 7 THR N N 37 110.288 110.167 0.121 1
1 75 . 19 1 1 A 8 8 LEU H H 38 9.065 8.623 0.442 1
1 76 . 19 1 1 A 8 8 LEU HA H 38 3.829 3.949 -0.120 1
1 86 . 19 1 1 A 8 8 LEU C C 38 177.964 178.705 -0.741 1
1 87 . 19 1 1 A 8 8 LEU CA C 38 57.613 57.874 -0.261 1
1 88 . 19 1 1 A 8 8 LEU CB C 38 41.058 41.212 -0.154 1
1 92 . 19 1 1 A 8 8 LEU N N 38 122.441 125.286 -2.845 1
1 93 . 19 1 1 A 9 9 GLY H H 39 8.753 8.185 0.568 1
1 94 . 19 1 1 A 9 9 GLY HA2 H 39 3.969 3.782 0.187 1
1 95 . 19 1 1 A 9 9 GLY HA3 H 39 3.769 3.784 -0.015 1
1 96 . 19 1 1 A 9 9 GLY C C 39 176.615 175.989 0.626 1
1 97 . 19 1 1 A 9 9 GLY CA C 39 47.314 47.023 0.291 1
1 98 . 19 1 1 A 9 9 GLY N N 39 104.356 107.040 -2.684 1
1 99 . 19 1 1 A 10 10 LYS H H 40 7.341 7.552 -0.211 1
1 100 . 19 1 1 A 10 10 LYS HA H 40 4.241 3.992 0.249 1
1 109 . 19 1 1 A 10 10 LYS C C 40 179.292 179.318 -0.026 1
1 110 . 19 1 1 A 10 10 LYS CA C 40 58.108 59.360 -1.252 1
1 111 . 19 1 1 A 10 10 LYS CB C 40 32.346 32.255 0.091 1
1 115 . 19 1 1 A 10 10 LYS N N 40 120.741 122.264 -1.523 1
1 116 . 19 1 1 A 11 11 LEU H H 41 8.033 7.740 0.293 1
1 117 . 19 1 1 A 11 11 LEU HA H 41 4.059 4.086 -0.027 1
1 127 . 19 1 1 A 11 11 LEU C C 41 177.253 177.929 -0.676 1
1 128 . 19 1 1 A 11 11 LEU CA C 41 57.978 57.427 0.551 1
1 129 . 19 1 1 A 11 11 LEU CB C 41 41.760 41.788 -0.028 1
1 133 . 19 1 1 A 11 11 LEU N N 41 121.501 121.237 0.264 1
1 134 . 19 1 1 A 12 12 ASP H H 42 9.025 8.304 0.721 1
1 135 . 19 1 1 A 12 12 ASP HA H 42 4.045 4.277 -0.232 1
1 138 . 19 1 1 A 12 12 ASP C C 42 176.536 178.570 -2.034 1
1 139 . 19 1 1 A 12 12 ASP CA C 42 58.740 57.988 0.752 1
1 140 . 19 1 1 A 12 12 ASP CB C 42 44.783 42.377 2.406 1
1 141 . 19 1 1 A 12 12 ASP N N 42 119.776 119.191 0.585 1
1 142 . 19 1 1 A 13 13 GLU H H 43 7.253 8.230 -0.977 1
1 143 . 19 1 1 A 13 13 GLU HA H 43 3.869 4.064 -0.195 1
1 148 . 19 1 1 A 13 13 GLU C C 43 178.916 178.948 -0.032 1
1 149 . 19 1 1 A 13 13 GLU CA C 43 59.511 59.562 -0.051 1
1 150 . 19 1 1 A 13 13 GLU CB C 43 30.131 29.038 1.093 1
1 152 . 19 1 1 A 13 13 GLU N N 43 116.304 118.905 -2.601 1
1 153 . 19 1 1 A 14 14 ARG H H 44 7.234 7.479 -0.245 1
1 154 . 19 1 1 A 14 14 ARG HA H 44 3.920 4.150 -0.230 1
1 163 . 19 1 1 A 14 14 ARG C C 44 177.609 179.126 -1.517 1
1 164 . 19 1 1 A 14 14 ARG CA C 44 58.607 59.071 -0.464 1
1 165 . 19 1 1 A 14 14 ARG CB C 44 30.304 29.995 0.309 1
1 168 . 19 1 1 A 14 14 ARG N N 44 118.267 119.325 -1.058 1
1 171 . 19 1 1 A 15 15 LEU H H 45 8.734 8.594 0.140 1
1 172 . 19 1 1 A 15 15 LEU HA H 45 3.809 4.170 -0.361 1
1 182 . 19 1 1 A 15 15 LEU C C 45 179.204 179.544 -0.340 1
1 183 . 19 1 1 A 15 15 LEU CA C 45 58.248 58.060 0.188 1
1 184 . 19 1 1 A 15 15 LEU CB C 45 42.076 41.348 0.728 1
1 188 . 19 1 1 A 15 15 LEU N N 45 117.856 119.855 -1.999 1
1 189 . 19 1 1 A 16 16 ARG H H 46 8.280 8.397 -0.117 1
1 190 . 19 1 1 A 16 16 ARG HA H 46 3.863 4.184 -0.321 1
1 200 . 19 1 1 A 16 16 ARG C C 46 179.432 179.269 0.163 1
1 201 . 19 1 1 A 16 16 ARG CA C 46 60.779 59.058 1.721 1
1 202 . 19 1 1 A 16 16 ARG CB C 46 29.824 29.777 0.047 1
1 205 . 19 1 1 A 16 16 ARG N N 46 115.954 119.286 -3.332 1
1 209 . 19 1 1 A 17 17 ASN H H 47 7.433 7.761 -0.328 1
1 210 . 19 1 1 A 17 17 ASN HA H 47 4.458 4.521 -0.063 1
1 215 . 19 1 1 A 17 17 ASN C C 47 177.657 177.953 -0.296 1
1 216 . 19 1 1 A 17 17 ASN CA C 47 56.297 56.129 0.168 1
1 217 . 19 1 1 A 17 17 ASN CB C 47 38.540 38.331 0.209 1
1 219 . 19 1 1 A 17 17 ASN N N 47 118.514 117.552 0.962 1
1 221 . 19 1 1 A 18 18 TYR H H 48 8.945 8.375 0.570 1
1 222 . 19 1 1 A 18 18 TYR HA H 48 4.184 4.350 -0.166 1
1 229 . 19 1 1 A 18 18 TYR C C 48 177.806 178.403 -0.597 1
1 230 . 19 1 1 A 18 18 TYR CA C 48 58.651 61.408 -2.757 1
1 231 . 19 1 1 A 18 18 TYR CB C 48 36.527 37.946 -1.419 1
1 234 . 19 1 1 A 18 18 TYR N N 48 121.714 119.419 2.295 1
1 235 . 19 1 1 A 19 19 LEU H H 49 8.293 8.189 0.104 1
1 236 . 19 1 1 A 19 19 LEU HA H 49 3.410 3.678 -0.268 1
1 246 . 19 1 1 A 19 19 LEU C C 49 179.153 179.144 0.009 1
1 247 . 19 1 1 A 19 19 LEU CA C 49 57.822 57.957 -0.135 1
1 248 . 19 1 1 A 19 19 LEU CB C 49 41.929 41.222 0.707 1
1 252 . 19 1 1 A 19 19 LEU N N 49 119.284 121.142 -1.858 1
1 253 . 19 1 1 A 20 20 LYS H H 50 7.322 7.488 -0.166 1
1 254 . 19 1 1 A 20 20 LYS HA H 50 3.893 3.947 -0.054 1
1 263 . 19 1 1 A 20 20 LYS C C 50 177.980 179.764 -1.784 1
1 264 . 19 1 1 A 20 20 LYS CA C 50 59.104 59.702 -0.598 1
1 265 . 19 1 1 A 20 20 LYS CB C 50 32.348 32.126 0.222 1
1 269 . 19 1 1 A 20 20 LYS N N 50 117.005 117.154 -0.149 1
1 270 . 19 1 1 A 21 21 LYS H H 51 7.435 7.997 -0.562 1
1 271 . 19 1 1 A 21 21 LYS HA H 51 4.080 3.975 0.105 1
1 280 . 19 1 1 A 21 21 LYS C C 51 178.971 178.178 0.793 1
1 281 . 19 1 1 A 21 21 LYS CA C 51 57.418 59.068 -1.650 1
1 282 . 19 1 1 A 21 21 LYS CB C 51 32.675 32.067 0.608 1
1 286 . 19 1 1 A 21 21 LYS N N 51 115.946 119.671 -3.725 1
1 287 . 19 1 1 A 22 22 GLY H H 52 8.290 7.658 0.632 1
1 288 . 19 1 1 A 22 22 GLY HA2 H 52 3.897 3.968 -0.071 1
1 289 . 19 1 1 A 22 22 GLY HA3 H 52 4.181 4.047 0.134 1
1 290 . 19 1 1 A 22 22 GLY C C 52 173.610 174.000 -0.390 1
1 291 . 19 1 1 A 22 22 GLY CA C 52 45.088 45.313 -0.225 1
1 292 . 19 1 1 A 22 22 GLY N N 52 105.432 107.781 -2.349 1
1 293 . 19 1 1 A 23 23 THR H H 53 7.148 7.760 -0.612 1
1 294 . 19 1 1 A 23 23 THR HA H 53 4.838 4.424 0.414 1
1 300 . 19 1 1 A 23 23 THR C C 53 174.444 175.082 -0.638 1
1 301 . 19 1 1 A 23 23 THR CA C 53 59.766 59.556 0.210 1
1 302 . 19 1 1 A 23 23 THR CB C 53 72.471 71.371 1.100 1
1 304 . 19 1 1 A 23 23 THR N N 53 107.608 111.912 -4.304 1
1 305 . 19 1 1 A 24 24 LYS H H 54 8.414 8.464 -0.050 1
1 306 . 19 1 1 A 24 24 LYS HA H 54 4.355 4.065 0.290 1
1 315 . 19 1 1 A 24 24 LYS C C 54 177.632 176.713 0.919 1
1 316 . 19 1 1 A 24 24 LYS CA C 54 57.393 58.434 -1.041 1
1 317 . 19 1 1 A 24 24 LYS CB C 54 32.806 32.924 -0.118 1
1 321 . 19 1 1 A 24 24 LYS N N 54 118.924 120.924 -2.000 1
1 322 . 19 1 1 A 25 25 ASN H H 55 7.823 7.787 0.036 1
1 323 . 19 1 1 A 25 25 ASN HA H 55 4.992 4.898 0.094 1
1 328 . 19 1 1 A 25 25 ASN C C 55 174.882 175.193 -0.311 1
1 329 . 19 1 1 A 25 25 ASN CA C 55 51.540 53.059 -1.519 1
1 330 . 19 1 1 A 25 25 ASN CB C 55 38.209 40.306 -2.097 1
1 332 . 19 1 1 A 25 25 ASN N N 55 116.576 115.482 1.094 1
1 334 . 19 1 1 A 26 26 SER H H 56 8.557 9.017 -0.460 1
1 335 . 19 1 1 A 26 26 SER HA H 56 4.145 4.236 -0.091 1
1 338 . 19 1 1 A 26 26 SER C C 56 176.886 176.380 0.506 1
1 339 . 19 1 1 A 26 26 SER CA C 56 61.051 61.597 -0.546 1
1 340 . 19 1 1 A 26 26 SER CB C 56 62.398 62.651 -0.253 1
1 341 . 19 1 1 A 26 26 SER N N 56 118.968 121.101 -2.133 1
1 342 . 19 1 1 A 27 27 ALA H H 57 8.133 8.015 0.118 1
1 343 . 19 1 1 A 27 27 ALA HA H 57 4.277 4.240 0.037 1
1 347 . 19 1 1 A 27 27 ALA C C 57 177.779 178.888 -1.109 1
1 348 . 19 1 1 A 27 27 ALA CA C 57 54.020 54.088 -0.068 1
1 349 . 19 1 1 A 27 27 ALA CB C 57 18.258 18.393 -0.135 1
1 350 . 19 1 1 A 27 27 ALA N N 57 125.334 123.139 2.195 1
1 351 . 19 1 1 A 28 28 GLN H H 58 7.113 8.246 -1.133 1
1 352 . 19 1 1 A 28 28 GLN HA H 58 4.262 4.204 0.058 1
1 359 . 19 1 1 A 28 28 GLN C C 58 174.984 176.238 -1.254 1
1 360 . 19 1 1 A 28 28 GLN CA C 58 56.272 57.024 -0.752 1
1 361 . 19 1 1 A 28 28 GLN CB C 58 28.627 27.686 0.941 1
1 364 . 19 1 1 A 28 28 GLN N N 58 112.472 114.423 -1.951 1
1 366 . 19 1 1 A 29 29 PHE H H 59 7.361 7.516 -0.155 1
1 367 . 19 1 1 A 29 29 PHE HA H 59 4.622 4.786 -0.164 1
1 375 . 19 1 1 A 29 29 PHE C C 59 173.987 176.063 -2.076 1
1 376 . 19 1 1 A 29 29 PHE CA C 59 59.534 58.966 0.568 1
1 377 . 19 1 1 A 29 29 PHE CB C 59 38.939 40.050 -1.111 1
1 381 . 19 1 1 A 29 29 PHE N N 59 118.258 119.767 -1.509 1
1 382 . 19 1 1 A 30 30 GLU H H 60 9.228 9.272 -0.044 1
1 383 . 19 1 1 A 30 30 GLU HA H 60 4.479 4.821 -0.342 1
1 388 . 19 1 1 A 30 30 GLU C C 60 176.282 175.868 0.414 1
1 389 . 19 1 1 A 30 30 GLU CA C 60 57.063 56.704 0.359 1
1 390 . 19 1 1 A 30 30 GLU CB C 60 33.512 32.133 1.379 1
1 392 . 19 1 1 A 30 30 GLU N N 60 125.247 118.862 6.385 1
1 393 . 19 1 1 A 31 31 LYS H H 61 7.998 7.602 0.396 1
1 394 . 19 1 1 A 31 31 LYS HA H 61 5.074 4.785 0.289 1
1 403 . 19 1 1 A 31 31 LYS C C 61 172.325 174.427 -2.102 1
1 404 . 19 1 1 A 31 31 LYS CA C 61 54.881 55.086 -0.205 1
1 405 . 19 1 1 A 31 31 LYS CB C 61 35.683 35.530 0.153 1
1 409 . 19 1 1 A 31 31 LYS N N 61 113.709 117.266 -3.557 1
1 410 . 19 1 1 A 32 32 MET H H 62 9.051 9.150 -0.099 1
1 411 . 19 1 1 A 32 32 MET HA H 62 5.630 5.480 0.150 1
1 419 . 19 1 1 A 32 32 MET C C 62 172.898 174.099 -1.201 1
1 420 . 19 1 1 A 32 32 MET CA C 62 53.043 53.330 -0.287 1
1 421 . 19 1 1 A 32 32 MET CB C 62 35.214 35.901 -0.687 1
1 424 . 19 1 1 A 32 32 MET N N 62 118.635 117.453 1.182 1
1 425 . 19 1 1 A 33 33 VAL H H 63 9.186 8.741 0.445 1
1 426 . 19 1 1 A 33 33 VAL HA H 63 4.700 4.850 -0.150 1
1 434 . 19 1 1 A 33 33 VAL C C 63 174.133 173.279 0.854 1
1 435 . 19 1 1 A 33 33 VAL CA C 63 61.351 59.798 1.553 1
1 436 . 19 1 1 A 33 33 VAL CB C 63 34.651 35.519 -0.868 1
1 439 . 19 1 1 A 33 33 VAL N N 63 122.441 118.974 3.467 1
1 440 . 19 1 1 A 34 34 ILE H H 64 9.244 8.997 0.247 1
1 441 . 19 1 1 A 34 34 ILE HA H 64 4.302 4.726 -0.424 1
1 451 . 19 1 1 A 34 34 ILE C C 64 174.924 174.298 0.626 1
1 452 . 19 1 1 A 34 34 ILE CA C 64 60.422 59.439 0.983 1
1 453 . 19 1 1 A 34 34 ILE CB C 64 41.255 40.575 0.680 1
1 457 . 19 1 1 A 34 34 ILE N N 64 127.876 127.808 0.068 1
1 458 . 19 1 1 A 35 35 LEU H H 65 9.117 9.521 -0.404 1
1 459 . 19 1 1 A 35 35 LEU HA H 65 5.531 5.375 0.156 1
1 469 . 19 1 1 A 35 35 LEU C C 65 178.538 176.231 2.307 1
1 470 . 19 1 1 A 35 35 LEU CA C 65 53.047 53.447 -0.400 1
1 471 . 19 1 1 A 35 35 LEU CB C 65 43.797 43.482 0.315 1
1 475 . 19 1 1 A 35 35 LEU N N 65 125.572 128.574 -3.002 1
1 476 . 19 1 1 A 36 36 THR H H 66 8.634 8.881 -0.247 1
1 477 . 19 1 1 A 36 36 THR HA H 66 5.212 5.336 -0.124 1
1 482 . 19 1 1 A 36 36 THR C C 66 174.918 174.353 0.565 1
1 483 . 19 1 1 A 36 36 THR CA C 66 59.374 59.447 -0.073 1
1 484 . 19 1 1 A 36 36 THR CB C 66 72.100 71.436 0.664 1
1 486 . 19 1 1 A 36 36 THR N N 66 112.840 114.343 -1.503 1
1 487 . 19 1 1 A 37 37 GLU H H 67 8.580 8.785 -0.205 1
1 488 . 19 1 1 A 37 37 GLU HA H 67 4.469 4.257 0.212 1
1 493 . 19 1 1 A 37 37 GLU C C 67 177.333 176.688 0.645 1
1 494 . 19 1 1 A 37 37 GLU CA C 67 57.348 56.034 1.314 1
1 495 . 19 1 1 A 37 37 GLU CB C 67 31.357 30.500 0.857 1
1 497 . 19 1 1 A 37 37 GLU N N 67 118.675 121.481 -2.806 1
1 498 . 19 1 1 A 38 38 ASN H H 68 8.580 9.029 -0.449 1
1 499 . 19 1 1 A 38 38 ASN HA H 68 3.768 3.500 0.268 1
1 504 . 19 1 1 A 38 38 ASN C C 68 172.921 174.220 -1.299 1
1 505 . 19 1 1 A 38 38 ASN CA C 68 54.686 54.144 0.542 1
1 506 . 19 1 1 A 38 38 ASN CB C 68 36.511 36.930 -0.419 1
1 508 . 19 1 1 A 38 38 ASN N N 68 114.341 116.158 -1.817 1
1 510 . 19 1 1 A 39 39 LYS H H 69 7.891 8.329 -0.438 1
1 511 . 19 1 1 A 39 39 LYS HA H 69 3.936 3.675 0.261 1
1 520 . 19 1 1 A 39 39 LYS C C 69 177.032 176.226 0.806 1
1 521 . 19 1 1 A 39 39 LYS CA C 69 56.758 57.298 -0.540 1
1 522 . 19 1 1 A 39 39 LYS CB C 69 28.099 29.358 -1.259 1
1 526 . 19 1 1 A 39 39 LYS N N 69 107.932 109.377 -1.445 1
1 527 . 19 1 1 A 40 40 GLY H H 70 6.998 7.535 -0.537 1
1 528 . 19 1 1 A 40 40 GLY HA2 H 70 4.362 3.893 0.469 1
1 529 . 19 1 1 A 40 40 GLY HA3 H 70 3.875 4.028 -0.153 1
1 530 . 19 1 1 A 40 40 GLY C C 70 173.763 171.718 2.045 1
1 531 . 19 1 1 A 40 40 GLY CA C 70 46.628 45.337 1.291 1
1 532 . 19 1 1 A 40 40 GLY N N 70 107.011 107.462 -0.451 1
1 533 . 19 1 1 A 41 41 TYR H H 71 7.679 8.564 -0.885 1
1 534 . 19 1 1 A 41 41 TYR HA H 71 5.097 5.421 -0.324 1
1 541 . 19 1 1 A 41 41 TYR C C 71 174.452 172.839 1.613 1
1 542 . 19 1 1 A 41 41 TYR CA C 71 57.730 56.603 1.127 1
1 543 . 19 1 1 A 41 41 TYR CB C 71 40.474 42.002 -1.528 1
1 546 . 19 1 1 A 41 41 TYR N N 71 129.822 122.844 6.978 1
1 547 . 19 1 1 A 42 42 TYR H H 72 9.101 8.578 0.523 1
1 548 . 19 1 1 A 42 42 TYR HA H 72 4.875 5.089 -0.214 1
1 555 . 19 1 1 A 42 42 TYR C C 72 174.448 174.560 -0.112 1
1 556 . 19 1 1 A 42 42 TYR CA C 72 56.114 56.672 -0.558 1
1 557 . 19 1 1 A 42 42 TYR CB C 72 41.115 42.943 -1.828 1
1 560 . 19 1 1 A 42 42 TYR N N 72 126.527 125.485 1.042 1
1 561 . 19 1 1 A 43 43 THR H H 73 9.022 8.793 0.229 1
1 562 . 19 1 1 A 43 43 THR HA H 73 4.876 5.167 -0.291 1
1 567 . 19 1 1 A 43 43 THR C C 73 174.791 172.138 2.653 1
1 568 . 19 1 1 A 43 43 THR CA C 73 62.821 59.799 3.022 1
1 569 . 19 1 1 A 43 43 THR CB C 73 68.769 71.468 -2.699 1
1 571 . 19 1 1 A 43 43 THR N N 73 120.810 115.973 4.837 1
1 572 . 19 1 1 A 44 44 VAL H H 74 9.233 8.972 0.261 1
1 573 . 19 1 1 A 44 44 VAL HA H 74 4.427 4.579 -0.152 1
1 581 . 19 1 1 A 44 44 VAL C C 74 175.094 174.875 0.219 1
1 582 . 19 1 1 A 44 44 VAL CA C 74 61.457 61.025 0.432 1
1 583 . 19 1 1 A 44 44 VAL CB C 74 35.669 35.086 0.583 1
1 586 . 19 1 1 A 44 44 VAL N N 74 129.156 126.231 2.925 1
1 587 . 19 1 1 A 45 45 TYR H H 75 9.384 8.850 0.534 1
1 588 . 19 1 1 A 45 45 TYR HA H 75 4.528 4.591 -0.063 1
1 595 . 19 1 1 A 45 45 TYR C C 75 176.497 176.072 0.425 1
1 596 . 19 1 1 A 45 45 TYR CA C 75 59.843 59.335 0.508 1
1 597 . 19 1 1 A 45 45 TYR CB C 75 38.245 39.002 -0.757 1
1 600 . 19 1 1 A 45 45 TYR N N 75 128.465 126.919 1.546 1
1 601 . 19 1 1 A 46 46 LEU H H 76 8.524 9.316 -0.792 1
1 602 . 19 1 1 A 46 46 LEU HA H 76 4.528 4.468 0.060 1
1 612 . 19 1 1 A 46 46 LEU C C 76 177.001 178.271 -1.270 1
1 613 . 19 1 1 A 46 46 LEU CA C 76 55.010 55.096 -0.086 1
1 614 . 19 1 1 A 46 46 LEU CB C 76 42.094 42.498 -0.404 1
1 618 . 19 1 1 A 46 46 LEU N N 76 119.547 124.367 -4.820 1
1 619 . 19 1 1 A 47 47 ASN H H 77 8.599 7.824 0.775 1
1 620 . 19 1 1 A 47 47 ASN HA H 77 4.618 4.679 -0.061 1
1 625 . 19 1 1 A 47 47 ASN C C 77 173.844 175.295 -1.451 1
1 626 . 19 1 1 A 47 47 ASN CA C 77 54.045 55.111 -1.066 1
1 627 . 19 1 1 A 47 47 ASN CB C 77 37.058 38.510 -1.452 1
1 629 . 19 1 1 A 47 47 ASN N N 77 116.407 115.758 0.649 1
1 631 . 19 1 1 A 48 48 THR H H 78 7.429 7.598 -0.169 1
1 632 . 19 1 1 A 48 48 THR HA H 78 4.803 5.058 -0.255 1
1 637 . 19 1 1 A 48 48 THR C C 78 175.201 171.742 3.459 1
1 638 . 19 1 1 A 48 48 THR CA C 78 58.577 58.726 -0.149 1
1 639 . 19 1 1 A 48 48 THR CB C 78 70.494 70.437 0.057 1
1 641 . 19 1 1 A 48 48 THR N N 78 111.551 110.148 1.403 1
1 642 . 19 1 1 A 49 49 PRO HA H 79 4.462 4.518 -0.056 1
1 649 . 19 1 1 A 49 49 PRO C C 79 176.670 177.055 -0.385 1
1 650 . 19 1 1 A 49 49 PRO CA C 79 62.384 62.929 -0.545 1
1 651 . 19 1 1 A 49 49 PRO CB C 79 32.205 31.884 0.321 1
1 654 . 19 1 1 A 50 50 LEU H H 80 9.049 8.296 0.753 1
1 655 . 19 1 1 A 50 50 LEU HA H 80 4.081 4.341 -0.260 1
1 665 . 19 1 1 A 50 50 LEU C C 80 176.758 176.732 0.026 1
1 666 . 19 1 1 A 50 50 LEU CA C 80 55.315 54.224 1.091 1
1 667 . 19 1 1 A 50 50 LEU CB C 80 41.915 42.622 -0.707 1
1 671 . 19 1 1 A 50 50 LEU N N 80 126.341 119.133 7.208 1
1 672 . 19 1 1 A 51 51 ALA H H 81 8.415 8.746 -0.331 1
1 673 . 19 1 1 A 51 51 ALA HA H 81 4.187 4.409 -0.222 1
1 677 . 19 1 1 A 51 51 ALA C C 81 179.005 178.920 0.085 1
1 678 . 19 1 1 A 51 51 ALA CA C 81 52.851 52.115 0.736 1
1 679 . 19 1 1 A 51 51 ALA CB C 81 19.625 20.159 -0.534 1
1 680 . 19 1 1 A 51 51 ALA N N 81 129.745 125.770 3.975 1
1 681 . 19 1 1 A 52 52 GLU H H 82 8.739 9.021 -0.282 1
1 682 . 19 1 1 A 52 52 GLU HA H 82 3.815 4.107 -0.292 1
1 687 . 19 1 1 A 52 52 GLU C C 82 178.591 178.275 0.316 1
1 688 . 19 1 1 A 52 52 GLU CA C 82 59.566 59.210 0.356 1
1 689 . 19 1 1 A 52 52 GLU CB C 82 29.774 29.164 0.610 1
1 691 . 19 1 1 A 52 52 GLU N N 82 121.424 119.930 1.494 1
1 692 . 19 1 1 A 53 53 ASP H H 83 8.511 7.985 0.526 1
1 693 . 19 1 1 A 53 53 ASP HA H 83 4.427 4.453 -0.026 1
1 696 . 19 1 1 A 53 53 ASP C C 83 177.306 178.848 -1.542 1
1 697 . 19 1 1 A 53 53 ASP CA C 83 55.398 56.488 -1.090 1
1 698 . 19 1 1 A 53 53 ASP CB C 83 39.430 40.806 -1.376 1
1 699 . 19 1 1 A 53 53 ASP N N 83 114.043 120.072 -6.029 1
1 700 . 19 1 1 A 54 54 ARG H H 84 7.800 7.825 -0.025 1
1 701 . 19 1 1 A 54 54 ARG HA H 84 4.527 4.160 0.367 1
1 710 . 19 1 1 A 54 54 ARG C C 84 176.966 179.178 -2.212 1
1 711 . 19 1 1 A 54 54 ARG CA C 84 55.915 58.790 -2.875 1
1 712 . 19 1 1 A 54 54 ARG CB C 84 31.804 29.810 1.994 1
1 715 . 19 1 1 A 54 54 ARG N N 84 118.147 120.656 -2.509 1
1 718 . 19 1 1 A 55 55 LYS H H 85 7.335 7.730 -0.395 1
1 719 . 19 1 1 A 55 55 LYS HA H 85 3.551 4.130 -0.579 1
1 728 . 19 1 1 A 55 55 LYS C C 85 178.113 177.382 0.731 1
1 729 . 19 1 1 A 55 55 LYS CA C 85 59.887 58.554 1.333 1
1 730 . 19 1 1 A 55 55 LYS CB C 85 32.935 32.479 0.456 1
1 734 . 19 1 1 A 55 55 LYS N N 85 116.576 119.297 -2.721 1
1 735 . 19 1 1 A 56 56 ASN H H 86 8.347 7.531 0.816 1
1 736 . 19 1 1 A 56 56 ASN HA H 86 4.886 4.987 -0.101 1
1 741 . 19 1 1 A 56 56 ASN C C 86 174.736 174.848 -0.112 1
1 742 . 19 1 1 A 56 56 ASN CA C 86 52.265 52.813 -0.548 1
1 743 . 19 1 1 A 56 56 ASN CB C 86 38.239 40.011 -1.772 1
1 745 . 19 1 1 A 56 56 ASN N N 86 114.341 115.183 -0.842 1
1 747 . 19 1 1 A 57 57 VAL H H 87 6.985 7.175 -0.190 1
1 748 . 19 1 1 A 57 57 VAL HA H 87 3.746 4.006 -0.260 1
1 756 . 19 1 1 A 57 57 VAL C C 87 175.380 176.199 -0.819 1
1 757 . 19 1 1 A 57 57 VAL CA C 87 63.723 62.744 0.979 1
1 758 . 19 1 1 A 57 57 VAL CB C 87 32.650 32.922 -0.272 1
1 761 . 19 1 1 A 57 57 VAL N N 87 121.424 121.490 -0.066 1
1 762 . 19 1 1 A 58 58 GLU H H 88 8.777 8.558 0.219 1
1 763 . 19 1 1 A 58 58 GLU HA H 88 4.339 4.746 -0.407 1
1 768 . 19 1 1 A 58 58 GLU C C 88 176.364 176.300 0.064 1
1 769 . 19 1 1 A 58 58 GLU CA C 88 56.085 56.429 -0.344 1
1 770 . 19 1 1 A 58 58 GLU CB C 88 29.861 30.441 -0.580 1
1 772 . 19 1 1 A 58 58 GLU N N 88 129.489 126.602 2.887 1
1 773 . 19 1 1 A 59 59 LEU H H 89 8.230 8.824 -0.594 1
1 774 . 19 1 1 A 59 59 LEU HA H 89 4.299 4.334 -0.035 1
1 784 . 19 1 1 A 59 59 LEU C C 89 178.976 176.399 2.577 1
1 785 . 19 1 1 A 59 59 LEU CA C 89 54.651 54.637 0.014 1
1 786 . 19 1 1 A 59 59 LEU CB C 89 42.596 41.039 1.557 1
1 790 . 19 1 1 A 59 59 LEU N N 89 124.395 126.389 -1.994 1
1 791 . 19 1 1 A 60 60 LEU H H 90 7.777 9.327 -1.550 1
1 792 . 19 1 1 A 60 60 LEU HA H 90 4.135 4.333 -0.198 1
1 802 . 19 1 1 A 60 60 LEU C C 90 176.394 177.068 -0.674 1
1 803 . 19 1 1 A 60 60 LEU CA C 90 56.754 56.998 -0.244 1
1 804 . 19 1 1 A 60 60 LEU CB C 90 42.413 42.725 -0.312 1
1 808 . 19 1 1 A 60 60 LEU N N 90 119.734 126.283 -6.549 1
1 809 . 19 1 1 A 61 61 GLY H H 91 7.224 7.462 -0.238 1
1 810 . 19 1 1 A 61 61 GLY HA2 H 91 4.165 4.063 0.102 1
1 811 . 19 1 1 A 61 61 GLY HA3 H 91 3.899 4.069 -0.170 1
1 812 . 19 1 1 A 61 61 GLY C C 91 171.742 172.008 -0.266 1
1 813 . 19 1 1 A 61 61 GLY CA C 91 44.969 45.559 -0.590 1
1 814 . 19 1 1 A 61 61 GLY N N 91 103.707 104.167 -0.460 1
1 815 . 19 1 1 A 62 62 LYS H H 92 8.771 8.607 0.164 1
1 816 . 19 1 1 A 62 62 LYS HA H 92 4.150 4.215 -0.065 1
1 825 . 19 1 1 A 62 62 LYS C C 92 177.522 176.850 0.672 1
1 826 . 19 1 1 A 62 62 LYS CA C 92 56.750 56.741 0.009 1
1 827 . 19 1 1 A 62 62 LYS CB C 92 33.835 32.810 1.025 1
1 831 . 19 1 1 A 62 62 LYS N N 92 118.635 119.987 -1.352 1
1 832 . 19 1 1 A 63 63 MET H H 93 9.188 8.521 0.667 1
1 833 . 19 1 1 A 63 63 MET HA H 93 3.835 4.360 -0.525 1
1 841 . 19 1 1 A 63 63 MET C C 93 173.913 175.880 -1.967 1
1 842 . 19 1 1 A 63 63 MET CA C 93 59.275 56.355 2.920 1
1 843 . 19 1 1 A 63 63 MET CB C 93 31.483 33.585 -2.102 1
1 846 . 19 1 1 A 63 63 MET N N 93 123.413 123.206 0.207 1
1 847 . 19 1 1 A 64 64 TYR H H 94 9.421 8.944 0.477 1
1 848 . 19 1 1 A 64 64 TYR HA H 94 4.767 4.436 0.331 1
1 855 . 19 1 1 A 64 64 TYR C C 94 173.918 174.905 -0.987 1
1 856 . 19 1 1 A 64 64 TYR CA C 94 56.933 60.024 -3.091 1
1 857 . 19 1 1 A 64 64 TYR CB C 94 40.020 40.371 -0.351 1
1 860 . 19 1 1 A 64 64 TYR N N 94 129.403 127.653 1.750 1
1 861 . 19 1 1 A 65 65 LYS H H 95 7.289 7.338 -0.049 1
1 862 . 19 1 1 A 65 65 LYS HA H 95 4.688 4.561 0.127 1
1 871 . 19 1 1 A 65 65 LYS C C 95 175.000 173.714 1.286 1
1 872 . 19 1 1 A 65 65 LYS CA C 95 55.841 55.514 0.327 1
1 873 . 19 1 1 A 65 65 LYS CB C 95 40.404 35.399 5.005 1
1 877 . 19 1 1 A 65 65 LYS N N 95 118.804 117.915 0.889 1
1 878 . 19 1 1 A 66 66 THR H H 96 8.727 8.575 0.152 1
1 879 . 19 1 1 A 66 66 THR HA H 96 5.149 5.180 -0.031 1
1 885 . 19 1 1 A 66 66 THR C C 96 172.120 172.484 -0.364 1
1 886 . 19 1 1 A 66 66 THR CA C 96 62.226 60.856 1.370 1
1 887 . 19 1 1 A 66 66 THR CB C 96 71.787 71.098 0.689 1
1 889 . 19 1 1 A 66 66 THR N N 96 116.235 121.499 -5.264 1
1 890 . 19 1 1 A 67 67 TYR H H 97 8.969 9.111 -0.142 1
1 891 . 19 1 1 A 67 67 TYR HA H 97 5.027 5.048 -0.021 1
1 898 . 19 1 1 A 67 67 TYR C C 97 175.077 174.633 0.444 1
1 899 . 19 1 1 A 67 67 TYR CA C 97 57.278 56.711 0.567 1
1 900 . 19 1 1 A 67 67 TYR CB C 97 42.054 42.668 -0.614 1
1 903 . 19 1 1 A 67 67 TYR N N 97 125.256 123.763 1.493 1
1 904 . 19 1 1 A 68 68 PHE H H 98 9.189 8.960 0.229 1
1 905 . 19 1 1 A 68 68 PHE HA H 98 5.177 5.043 0.134 1
1 913 . 19 1 1 A 68 68 PHE C C 98 174.791 174.960 -0.169 1
1 914 . 19 1 1 A 68 68 PHE CA C 98 57.825 56.518 1.307 1
1 915 . 19 1 1 A 68 68 PHE CB C 98 42.377 43.285 -0.908 1
1 919 . 19 1 1 A 68 68 PHE N N 98 118.574 119.835 -1.261 1
1 920 . 19 1 1 A 69 69 PHE H H 99 8.976 9.440 -0.464 1
1 921 . 19 1 1 A 69 69 PHE HA H 99 4.893 5.213 -0.320 1
1 929 . 19 1 1 A 69 69 PHE C C 99 176.386 175.651 0.735 1
1 930 . 19 1 1 A 69 69 PHE CA C 99 56.777 56.278 0.499 1
1 931 . 19 1 1 A 69 69 PHE CB C 99 41.371 42.304 -0.933 1
1 935 . 19 1 1 A 69 69 PHE N N 99 119.573 121.518 -1.945 1
1 936 . 19 1 1 A 70 70 LYS H H 100 9.479 8.660 0.819 1
1 937 . 19 1 1 A 70 70 LYS HA H 100 4.533 4.310 0.223 1
1 946 . 19 1 1 A 70 70 LYS C C 100 176.156 176.250 -0.094 1
1 947 . 19 1 1 A 70 70 LYS CA C 100 56.706 56.071 0.635 1
1 948 . 19 1 1 A 70 70 LYS CB C 100 33.667 33.191 0.476 1
1 952 . 19 1 1 A 70 70 LYS N N 100 125.614 123.524 2.090 1
1 953 . 19 1 1 A 71 71 LYS H H 101 8.068 8.809 -0.741 1
1 954 . 19 1 1 A 71 71 LYS HA H 101 4.188 4.239 -0.051 1
1 963 . 19 1 1 A 71 71 LYS C C 101 177.655 177.558 0.097 1
1 964 . 19 1 1 A 71 71 LYS CA C 101 58.238 58.372 -0.134 1
1 965 . 19 1 1 A 71 71 LYS CB C 101 32.342 32.018 0.324 1
1 969 . 19 1 1 A 71 71 LYS N N 101 121.057 122.907 -1.850 1
1 970 . 19 1 1 A 72 72 GLY H H 102 8.899 8.996 -0.097 1
1 971 . 19 1 1 A 72 72 GLY HA2 H 102 4.196 3.944 0.252 1
1 972 . 19 1 1 A 72 72 GLY HA3 H 102 3.815 3.958 -0.143 1
1 973 . 19 1 1 A 72 72 GLY C C 102 173.997 173.856 0.141 1
1 974 . 19 1 1 A 72 72 GLY CA C 102 45.802 45.705 0.097 1
1 975 . 19 1 1 A 72 72 GLY N N 102 114.112 114.647 -0.535 1
1 976 . 19 1 1 A 73 73 GLU H H 103 8.047 7.796 0.251 1
1 977 . 19 1 1 A 73 73 GLU HA H 103 4.764 4.972 -0.208 1
1 982 . 19 1 1 A 73 73 GLU C C 103 175.975 175.446 0.529 1
1 983 . 19 1 1 A 73 73 GLU CA C 103 56.295 54.699 1.596 1
1 984 . 19 1 1 A 73 73 GLU CB C 103 31.153 33.409 -2.256 1
1 986 . 19 1 1 A 73 73 GLU N N 103 119.538 120.129 -0.591 1
1 987 . 19 1 1 A 74 74 SER H H 104 8.742 8.681 0.061 1
1 988 . 19 1 1 A 74 74 SER HA H 104 4.598 4.898 -0.300 1
1 991 . 19 1 1 A 74 74 SER C C 104 171.916 173.999 -2.083 1
1 992 . 19 1 1 A 74 74 SER CA C 104 58.363 57.216 1.147 1
1 993 . 19 1 1 A 74 74 SER CB C 104 64.025 65.005 -0.980 1
1 994 . 19 1 1 A 74 74 SER N N 104 115.383 113.707 1.676 1
1 995 . 19 1 1 A 75 75 LYS H H 105 7.608 7.678 -0.070 1
1 996 . 19 1 1 A 75 75 LYS HA H 105 5.588 5.215 0.373 1
1 1005 . 19 1 1 A 75 75 LYS C C 105 176.017 175.104 0.913 1
1 1006 . 19 1 1 A 75 75 LYS CA C 105 54.548 55.095 -0.547 1
1 1007 . 19 1 1 A 75 75 LYS CB C 105 35.211 36.182 -0.971 1
1 1011 . 19 1 1 A 75 75 LYS N N 105 121.040 123.050 -2.010 1
1 1012 . 19 1 1 A 76 76 SER H H 106 8.231 9.069 -0.838 1
1 1013 . 19 1 1 A 76 76 SER HA H 106 3.377 4.117 -0.740 1
1 1016 . 19 1 1 A 76 76 SER C C 106 172.571 174.139 -1.568 1
1 1017 . 19 1 1 A 76 76 SER CA C 106 59.650 57.407 2.243 1
1 1018 . 19 1 1 A 76 76 SER CB C 106 64.857 64.502 0.355 1
1 1019 . 19 1 1 A 76 76 SER N N 106 121.783 118.208 3.575 1
1 1020 . 19 1 1 A 77 77 SER H H 107 8.333 9.027 -0.694 1
1 1021 . 19 1 1 A 77 77 SER HA H 107 5.025 4.688 0.337 1
1 1024 . 19 1 1 A 77 77 SER C C 107 174.507 173.593 0.914 1
1 1025 . 19 1 1 A 77 77 SER CA C 107 57.561 58.337 -0.776 1
1 1026 . 19 1 1 A 77 77 SER CB C 107 65.330 65.914 -0.584 1
1 1027 . 19 1 1 A 77 77 SER N N 107 106.276 116.664 -10.388 1
1 1028 . 19 1 1 A 78 78 TYR H H 108 7.825 7.254 0.571 1
1 1029 . 19 1 1 A 78 78 TYR HA H 108 4.754 4.760 -0.006 1
1 1036 . 19 1 1 A 78 78 TYR C C 108 171.725 173.699 -1.974 1
1 1037 . 19 1 1 A 78 78 TYR CA C 108 57.778 56.883 0.895 1
1 1038 . 19 1 1 A 78 78 TYR CB C 108 43.223 41.766 1.457 1
1 1041 . 19 1 1 A 78 78 TYR N N 108 126.289 119.741 6.548 1
1 1042 . 19 1 1 A 79 79 VAL H H 109 7.760 8.421 -0.661 1
1 1043 . 19 1 1 A 79 79 VAL HA H 109 5.215 5.056 0.159 1
1 1051 . 19 1 1 A 79 79 VAL C C 109 172.526 174.317 -1.791 1
1 1052 . 19 1 1 A 79 79 VAL CA C 109 59.193 59.664 -0.471 1
1 1053 . 19 1 1 A 79 79 VAL CB C 109 36.173 36.101 0.072 1
1 1056 . 19 1 1 A 79 79 VAL N N 109 127.825 121.244 6.581 1
1 1057 . 19 1 1 A 80 80 ILE H H 110 8.616 8.404 0.212 1
1 1058 . 19 1 1 A 80 80 ILE HA H 110 4.011 4.490 -0.479 1
1 1068 . 19 1 1 A 80 80 ILE C C 110 174.690 174.387 0.303 1
1 1069 . 19 1 1 A 80 80 ILE CA C 110 60.922 59.727 1.195 1
1 1070 . 19 1 1 A 80 80 ILE CB C 110 42.047 42.047 0.000 1
1 1074 . 19 1 1 A 80 80 ILE N N 110 124.001 121.914 2.087 1
1 1075 . 19 1 1 A 81 81 ASN H H 111 8.937 8.391 0.546 1
1 1076 . 19 1 1 A 81 81 ASN HA H 111 4.760 5.338 -0.578 1
1 1081 . 19 1 1 A 81 81 ASN C C 111 175.326 175.233 0.093 1
1 1082 . 19 1 1 A 81 81 ASN CA C 111 53.600 51.598 2.002 1
1 1083 . 19 1 1 A 81 81 ASN CB C 111 40.412 40.767 -0.355 1
1 1085 . 19 1 1 A 81 81 ASN N N 111 126.229 123.841 2.388 1
1 1087 . 19 1 1 A 82 82 GLY H H 112 7.984 8.114 -0.130 1
1 1088 . 19 1 1 A 82 82 GLY HA2 H 112 4.457 4.118 0.339 1
1 1089 . 19 1 1 A 82 82 GLY HA3 H 112 3.847 4.119 -0.272 1
1 1090 . 19 1 1 A 82 82 GLY C C 112 171.875 174.074 -2.199 1
1 1091 . 19 1 1 A 82 82 GLY CA C 112 43.303 44.306 -1.003 1
1 1092 . 19 1 1 A 82 82 GLY N N 112 110.894 107.613 3.281 1
1 1093 . 19 1 1 A 83 83 PRO HA H 113 4.609 4.545 0.064 1
1 1100 . 19 1 1 A 83 83 PRO C C 113 178.327 175.156 3.171 1
1 1101 . 19 1 1 A 83 83 PRO CA C 113 63.342 63.770 -0.428 1
1 1102 . 19 1 1 A 83 83 PRO CB C 113 32.232 31.711 0.521 1
1 1105 . 19 1 1 A 84 84 GLY H H 114 8.939 7.503 1.436 1
1 1106 . 19 1 1 A 84 84 GLY HA2 H 114 4.055 4.405 -0.350 1
1 1107 . 19 1 1 A 84 84 GLY HA3 H 114 3.192 4.429 -1.237 1
1 1108 . 19 1 1 A 84 84 GLY C C 114 172.587 173.868 -1.281 1
1 1109 . 19 1 1 A 84 84 GLY CA C 114 44.667 44.086 0.581 1
1 1110 . 19 1 1 A 84 84 GLY N N 114 109.324 109.954 -0.630 1
1 1111 . 19 1 1 A 85 85 LYS H H 115 9.550 9.280 0.270 1
1 1112 . 19 1 1 A 85 85 LYS HA H 115 4.527 4.634 -0.107 1
1 1121 . 19 1 1 A 85 85 LYS C C 115 175.690 175.747 -0.057 1
1 1122 . 19 1 1 A 85 85 LYS CA C 115 56.251 57.054 -0.803 1
1 1123 . 19 1 1 A 85 85 LYS CB C 115 34.217 35.492 -1.275 1
1 1127 . 19 1 1 A 85 85 LYS N N 115 119.240 121.938 -2.698 1
1 1128 . 19 1 1 A 86 86 THR H H 116 7.327 7.213 0.114 1
1 1129 . 19 1 1 A 86 86 THR HA H 116 3.572 4.384 -0.812 1
1 1134 . 19 1 1 A 86 86 THR C C 116 170.519 173.638 -3.119 1
1 1135 . 19 1 1 A 86 86 THR CA C 116 59.094 60.138 -1.044 1
1 1136 . 19 1 1 A 86 86 THR CB C 116 68.191 70.568 -2.377 1
1 1138 . 19 1 1 A 86 86 THR N N 116 113.403 111.718 1.685 1
1 1139 . 19 1 1 A 87 87 ASN H H 117 8.035 8.334 -0.299 1
1 1140 . 19 1 1 A 87 87 ASN HA H 117 4.914 4.448 0.466 1
1 1145 . 19 1 1 A 87 87 ASN C C 117 175.798 175.881 -0.083 1
1 1146 . 19 1 1 A 87 87 ASN CA C 117 52.062 55.685 -3.623 1
1 1147 . 19 1 1 A 87 87 ASN CB C 117 40.563 38.200 2.363 1
1 1149 . 19 1 1 A 87 87 ASN N N 117 118.907 123.112 -4.205 1
1 1151 . 19 1 1 A 88 88 GLU H H 118 8.362 7.289 1.073 1
1 1152 . 19 1 1 A 88 88 GLU HA H 118 4.116 4.466 -0.350 1
1 1157 . 19 1 1 A 88 88 GLU C C 118 175.935 175.597 0.338 1
1 1158 . 19 1 1 A 88 88 GLU CA C 118 55.589 54.998 0.591 1
1 1159 . 19 1 1 A 88 88 GLU CB C 118 29.435 27.682 1.753 1
1 1161 . 19 1 1 A 88 88 GLU N N 118 119.547 116.666 2.881 1
1 1162 . 19 1 1 A 89 89 TYR H H 119 7.918 8.611 -0.693 1
1 1163 . 19 1 1 A 89 89 TYR HA H 119 4.639 4.463 0.176 1
1 1170 . 19 1 1 A 89 89 TYR C C 119 175.750 175.091 0.659 1
1 1171 . 19 1 1 A 89 89 TYR CA C 119 59.270 58.836 0.434 1
1 1172 . 19 1 1 A 89 89 TYR CB C 119 38.274 36.238 2.036 1
1 1175 . 19 1 1 A 89 89 TYR N N 119 118.293 123.215 -4.922 1
1 1176 . 19 1 1 A 90 90 ALA H H 120 8.285 8.344 -0.059 1
1 1177 . 19 1 1 A 90 90 ALA HA H 120 4.273 3.994 0.279 1
1 1181 . 19 1 1 A 90 90 ALA C C 120 175.773 175.786 -0.013 1
1 1182 . 19 1 1 A 90 90 ALA CA C 120 52.014 53.649 -1.635 1
1 1183 . 19 1 1 A 90 90 ALA CB C 120 19.920 18.221 1.699 1
1 1184 . 19 1 1 A 90 90 ALA N N 120 126.212 114.574 11.638 1
1 11 . 20 1 1 A 2 2 SER HA H 32 4.469 4.609 -0.140 1
1 14 . 20 1 1 A 2 2 SER C C 32 174.865 174.931 -0.066 1
1 15 . 20 1 1 A 2 2 SER CA C 32 58.680 59.576 -0.896 1
1 16 . 20 1 1 A 2 2 SER CB C 32 63.805 64.799 -0.994 1
1 17 . 20 1 1 A 3 3 GLY H H 33 8.513 8.259 0.254 1
1 18 . 20 1 1 A 3 3 GLY HA2 H 33 3.972 3.958 0.014 1
1 19 . 20 1 1 A 3 3 GLY HA3 H 33 3.972 3.959 0.013 1
1 20 . 20 1 1 A 3 3 GLY C C 33 173.735 175.079 -1.344 1
1 21 . 20 1 1 A 3 3 GLY CA C 33 45.132 46.358 -1.226 1
1 22 . 20 1 1 A 3 3 GLY N N 33 110.526 109.090 1.436 1
1 23 . 20 1 1 A 4 4 LEU H H 34 8.145 7.748 0.397 1
1 24 . 20 1 1 A 4 4 LEU HA H 34 4.599 4.279 0.320 1
1 34 . 20 1 1 A 4 4 LEU C C 34 175.201 175.723 -0.522 1
1 35 . 20 1 1 A 4 4 LEU CA C 34 53.002 53.368 -0.366 1
1 36 . 20 1 1 A 4 4 LEU CB C 34 41.772 42.602 -0.830 1
1 40 . 20 1 1 A 4 4 LEU N N 34 122.423 121.904 0.519 1
1 41 . 20 1 1 A 5 5 PRO HA H 35 4.551 4.913 -0.362 1
1 48 . 20 1 1 A 5 5 PRO C C 35 176.487 176.430 0.057 1
1 49 . 20 1 1 A 5 5 PRO CA C 35 62.771 62.492 0.279 1
1 50 . 20 1 1 A 5 5 PRO CB C 35 32.488 32.995 -0.507 1
1 53 . 20 1 1 A 6 6 THR H H 36 8.447 8.617 -0.170 1
1 54 . 20 1 1 A 6 6 THR HA H 36 4.445 4.539 -0.094 1
1 59 . 20 1 1 A 6 6 THR C C 36 174.231 173.086 1.145 1
1 60 . 20 1 1 A 6 6 THR CA C 36 61.727 61.207 0.520 1
1 61 . 20 1 1 A 6 6 THR CB C 36 69.213 70.535 -1.322 1
1 63 . 20 1 1 A 6 6 THR N N 36 111.916 115.121 -3.205 1
1 64 . 20 1 1 A 7 7 THR H H 37 7.303 7.323 -0.020 1
1 65 . 20 1 1 A 7 7 THR HA H 37 5.232 4.890 0.342 1
1 70 . 20 1 1 A 7 7 THR C C 37 175.848 174.541 1.307 1
1 71 . 20 1 1 A 7 7 THR CA C 37 58.599 59.105 -0.506 1
1 72 . 20 1 1 A 7 7 THR CB C 37 71.971 72.790 -0.819 1
1 74 . 20 1 1 A 7 7 THR N N 37 110.288 112.530 -2.242 1
1 75 . 20 1 1 A 8 8 LEU H H 38 9.065 8.770 0.295 1
1 76 . 20 1 1 A 8 8 LEU HA H 38 3.829 3.848 -0.019 1
1 86 . 20 1 1 A 8 8 LEU C C 38 177.964 179.801 -1.837 1
1 87 . 20 1 1 A 8 8 LEU CA C 38 57.613 57.857 -0.244 1
1 88 . 20 1 1 A 8 8 LEU CB C 38 41.058 41.044 0.014 1
1 92 . 20 1 1 A 8 8 LEU N N 38 122.441 123.111 -0.670 1
1 93 . 20 1 1 A 9 9 GLY H H 39 8.753 8.331 0.422 1
1 94 . 20 1 1 A 9 9 GLY HA2 H 39 3.969 3.931 0.038 1
1 95 . 20 1 1 A 9 9 GLY HA3 H 39 3.769 3.936 -0.167 1
1 96 . 20 1 1 A 9 9 GLY C C 39 176.615 176.006 0.609 1
1 97 . 20 1 1 A 9 9 GLY CA C 39 47.314 46.819 0.495 1
1 98 . 20 1 1 A 9 9 GLY N N 39 104.356 106.445 -2.089 1
1 99 . 20 1 1 A 10 10 LYS H H 40 7.341 7.612 -0.271 1
1 100 . 20 1 1 A 10 10 LYS HA H 40 4.241 4.346 -0.105 1
1 109 . 20 1 1 A 10 10 LYS C C 40 179.292 179.092 0.200 1
1 110 . 20 1 1 A 10 10 LYS CA C 40 58.108 58.082 0.026 1
1 111 . 20 1 1 A 10 10 LYS CB C 40 32.346 33.418 -1.072 1
1 115 . 20 1 1 A 10 10 LYS N N 40 120.741 121.537 -0.796 1
1 116 . 20 1 1 A 11 11 LEU H H 41 8.033 7.958 0.075 1
1 117 . 20 1 1 A 11 11 LEU HA H 41 4.059 4.047 0.012 1
1 127 . 20 1 1 A 11 11 LEU C C 41 177.253 178.200 -0.947 1
1 128 . 20 1 1 A 11 11 LEU CA C 41 57.978 57.959 0.019 1
1 129 . 20 1 1 A 11 11 LEU CB C 41 41.760 41.446 0.314 1
1 133 . 20 1 1 A 11 11 LEU N N 41 121.501 121.692 -0.191 1
1 134 . 20 1 1 A 12 12 ASP H H 42 9.025 8.395 0.630 1
1 135 . 20 1 1 A 12 12 ASP HA H 42 4.045 4.389 -0.344 1
1 138 . 20 1 1 A 12 12 ASP C C 42 176.536 178.832 -2.296 1
1 139 . 20 1 1 A 12 12 ASP CA C 42 58.740 57.697 1.043 1
1 140 . 20 1 1 A 12 12 ASP CB C 42 44.783 42.122 2.661 1
1 141 . 20 1 1 A 12 12 ASP N N 42 119.776 119.146 0.630 1
1 142 . 20 1 1 A 13 13 GLU H H 43 7.253 7.752 -0.499 1
1 143 . 20 1 1 A 13 13 GLU HA H 43 3.869 4.116 -0.247 1
1 148 . 20 1 1 A 13 13 GLU C C 43 178.916 178.552 0.364 1
1 149 . 20 1 1 A 13 13 GLU CA C 43 59.511 59.099 0.412 1
1 150 . 20 1 1 A 13 13 GLU CB C 43 30.131 29.319 0.812 1
1 152 . 20 1 1 A 13 13 GLU N N 43 116.304 119.159 -2.855 1
1 153 . 20 1 1 A 14 14 ARG H H 44 7.234 7.703 -0.469 1
1 154 . 20 1 1 A 14 14 ARG HA H 44 3.920 4.196 -0.276 1
1 163 . 20 1 1 A 14 14 ARG C C 44 177.609 178.560 -0.951 1
1 164 . 20 1 1 A 14 14 ARG CA C 44 58.607 58.549 0.058 1
1 165 . 20 1 1 A 14 14 ARG CB C 44 30.304 29.893 0.411 1
1 168 . 20 1 1 A 14 14 ARG N N 44 118.267 120.765 -2.498 1
1 171 . 20 1 1 A 15 15 LEU H H 45 8.734 8.777 -0.043 1
1 172 . 20 1 1 A 15 15 LEU HA H 45 3.809 4.315 -0.506 1
1 182 . 20 1 1 A 15 15 LEU C C 45 179.204 179.354 -0.150 1
1 183 . 20 1 1 A 15 15 LEU CA C 45 58.248 57.794 0.454 1
1 184 . 20 1 1 A 15 15 LEU CB C 45 42.076 41.491 0.585 1
1 188 . 20 1 1 A 15 15 LEU N N 45 117.856 119.672 -1.816 1
1 189 . 20 1 1 A 16 16 ARG H H 46 8.280 8.570 -0.290 1
1 190 . 20 1 1 A 16 16 ARG HA H 46 3.863 4.093 -0.230 1
1 200 . 20 1 1 A 16 16 ARG C C 46 179.432 178.962 0.470 1
1 201 . 20 1 1 A 16 16 ARG CA C 46 60.779 59.566 1.213 1
1 202 . 20 1 1 A 16 16 ARG CB C 46 29.824 29.939 -0.115 1
1 205 . 20 1 1 A 16 16 ARG N N 46 115.954 119.429 -3.475 1
1 209 . 20 1 1 A 17 17 ASN H H 47 7.433 7.878 -0.445 1
1 210 . 20 1 1 A 17 17 ASN HA H 47 4.458 4.455 0.003 1
1 215 . 20 1 1 A 17 17 ASN C C 47 177.657 177.892 -0.235 1
1 216 . 20 1 1 A 17 17 ASN CA C 47 56.297 56.527 -0.230 1
1 217 . 20 1 1 A 17 17 ASN CB C 47 38.540 39.114 -0.574 1
1 219 . 20 1 1 A 17 17 ASN N N 47 118.514 117.849 0.665 1
1 221 . 20 1 1 A 18 18 TYR H H 48 8.945 8.565 0.380 1
1 222 . 20 1 1 A 18 18 TYR HA H 48 4.184 4.334 -0.150 1
1 229 . 20 1 1 A 18 18 TYR C C 48 177.806 178.391 -0.585 1
1 230 . 20 1 1 A 18 18 TYR CA C 48 58.651 61.188 -2.537 1
1 231 . 20 1 1 A 18 18 TYR CB C 48 36.527 37.724 -1.197 1
1 234 . 20 1 1 A 18 18 TYR N N 48 121.714 119.331 2.383 1
1 235 . 20 1 1 A 19 19 LEU H H 49 8.293 8.107 0.186 1
1 236 . 20 1 1 A 19 19 LEU HA H 49 3.410 3.604 -0.194 1
1 246 . 20 1 1 A 19 19 LEU C C 49 179.153 178.972 0.181 1
1 247 . 20 1 1 A 19 19 LEU CA C 49 57.822 57.846 -0.024 1
1 248 . 20 1 1 A 19 19 LEU CB C 49 41.929 41.412 0.517 1
1 252 . 20 1 1 A 19 19 LEU N N 49 119.284 120.728 -1.444 1
1 253 . 20 1 1 A 20 20 LYS H H 50 7.322 7.691 -0.369 1
1 254 . 20 1 1 A 20 20 LYS HA H 50 3.893 3.975 -0.082 1
1 263 . 20 1 1 A 20 20 LYS C C 50 177.980 179.225 -1.245 1
1 264 . 20 1 1 A 20 20 LYS CA C 50 59.104 59.685 -0.581 1
1 265 . 20 1 1 A 20 20 LYS CB C 50 32.348 32.124 0.224 1
1 269 . 20 1 1 A 20 20 LYS N N 50 117.005 116.901 0.104 1
1 270 . 20 1 1 A 21 21 LYS H H 51 7.435 8.149 -0.714 1
1 271 . 20 1 1 A 21 21 LYS HA H 51 4.080 4.112 -0.032 1
1 280 . 20 1 1 A 21 21 LYS C C 51 178.971 178.094 0.877 1
1 281 . 20 1 1 A 21 21 LYS CA C 51 57.418 58.653 -1.235 1
1 282 . 20 1 1 A 21 21 LYS CB C 51 32.675 32.612 0.063 1
1 286 . 20 1 1 A 21 21 LYS N N 51 115.946 119.162 -3.216 1
1 287 . 20 1 1 A 22 22 GLY H H 52 8.290 7.647 0.643 1
1 288 . 20 1 1 A 22 22 GLY HA2 H 52 3.897 4.055 -0.158 1
1 289 . 20 1 1 A 22 22 GLY HA3 H 52 4.181 4.141 0.040 1
1 290 . 20 1 1 A 22 22 GLY C C 52 173.610 173.560 0.050 1
1 291 . 20 1 1 A 22 22 GLY CA C 52 45.088 45.205 -0.117 1
1 292 . 20 1 1 A 22 22 GLY N N 52 105.432 106.522 -1.090 1
1 293 . 20 1 1 A 23 23 THR H H 53 7.148 7.141 0.007 1
1 294 . 20 1 1 A 23 23 THR HA H 53 4.838 4.620 0.218 1
1 300 . 20 1 1 A 23 23 THR C C 53 174.444 174.647 -0.203 1
1 301 . 20 1 1 A 23 23 THR CA C 53 59.766 59.434 0.332 1
1 302 . 20 1 1 A 23 23 THR CB C 53 72.471 72.121 0.350 1
1 304 . 20 1 1 A 23 23 THR N N 53 107.608 112.212 -4.604 1
1 305 . 20 1 1 A 24 24 LYS H H 54 8.414 8.572 -0.158 1
1 306 . 20 1 1 A 24 24 LYS HA H 54 4.355 4.160 0.195 1
1 315 . 20 1 1 A 24 24 LYS C C 54 177.632 176.816 0.816 1
1 316 . 20 1 1 A 24 24 LYS CA C 54 57.393 58.023 -0.630 1
1 317 . 20 1 1 A 24 24 LYS CB C 54 32.806 32.919 -0.113 1
1 321 . 20 1 1 A 24 24 LYS N N 54 118.924 119.176 -0.252 1
1 322 . 20 1 1 A 25 25 ASN H H 55 7.823 7.819 0.004 1
1 323 . 20 1 1 A 25 25 ASN HA H 55 4.992 4.926 0.066 1
1 328 . 20 1 1 A 25 25 ASN C C 55 174.882 175.046 -0.164 1
1 329 . 20 1 1 A 25 25 ASN CA C 55 51.540 52.971 -1.431 1
1 330 . 20 1 1 A 25 25 ASN CB C 55 38.209 40.408 -2.199 1
1 332 . 20 1 1 A 25 25 ASN N N 55 116.576 115.390 1.186 1
1 334 . 20 1 1 A 26 26 SER H H 56 8.557 9.100 -0.543 1
1 335 . 20 1 1 A 26 26 SER HA H 56 4.145 4.592 -0.447 1
1 338 . 20 1 1 A 26 26 SER C C 56 176.886 176.183 0.703 1
1 339 . 20 1 1 A 26 26 SER CA C 56 61.051 60.125 0.926 1
1 340 . 20 1 1 A 26 26 SER CB C 56 62.398 63.338 -0.940 1
1 341 . 20 1 1 A 26 26 SER N N 56 118.968 121.349 -2.381 1
1 342 . 20 1 1 A 27 27 ALA H H 57 8.133 7.987 0.146 1
1 343 . 20 1 1 A 27 27 ALA HA H 57 4.277 4.220 0.057 1
1 347 . 20 1 1 A 27 27 ALA C C 57 177.779 178.980 -1.201 1
1 348 . 20 1 1 A 27 27 ALA CA C 57 54.020 53.995 0.025 1
1 349 . 20 1 1 A 27 27 ALA CB C 57 18.258 18.497 -0.239 1
1 350 . 20 1 1 A 27 27 ALA N N 57 125.334 124.912 0.422 1
1 351 . 20 1 1 A 28 28 GLN H H 58 7.113 8.251 -1.138 1
1 352 . 20 1 1 A 28 28 GLN HA H 58 4.262 4.209 0.053 1
1 359 . 20 1 1 A 28 28 GLN C C 58 174.984 175.980 -0.996 1
1 360 . 20 1 1 A 28 28 GLN CA C 58 56.272 57.164 -0.892 1
1 361 . 20 1 1 A 28 28 GLN CB C 58 28.627 27.722 0.905 1
1 364 . 20 1 1 A 28 28 GLN N N 58 112.472 114.411 -1.939 1
1 366 . 20 1 1 A 29 29 PHE H H 59 7.361 7.578 -0.217 1
1 367 . 20 1 1 A 29 29 PHE HA H 59 4.622 4.772 -0.150 1
1 375 . 20 1 1 A 29 29 PHE C C 59 173.987 175.503 -1.516 1
1 376 . 20 1 1 A 29 29 PHE CA C 59 59.534 58.679 0.855 1
1 377 . 20 1 1 A 29 29 PHE CB C 59 38.939 40.361 -1.422 1
1 381 . 20 1 1 A 29 29 PHE N N 59 118.258 119.666 -1.408 1
1 382 . 20 1 1 A 30 30 GLU H H 60 9.228 9.371 -0.143 1
1 383 . 20 1 1 A 30 30 GLU HA H 60 4.479 4.656 -0.177 1
1 388 . 20 1 1 A 30 30 GLU C C 60 176.282 175.896 0.386 1
1 389 . 20 1 1 A 30 30 GLU CA C 60 57.063 57.665 -0.602 1
1 390 . 20 1 1 A 30 30 GLU CB C 60 33.512 33.039 0.473 1
1 392 . 20 1 1 A 30 30 GLU N N 60 125.247 123.890 1.357 1
1 393 . 20 1 1 A 31 31 LYS H H 61 7.998 7.601 0.397 1
1 394 . 20 1 1 A 31 31 LYS HA H 61 5.074 4.695 0.379 1
1 403 . 20 1 1 A 31 31 LYS C C 61 172.325 174.620 -2.295 1
1 404 . 20 1 1 A 31 31 LYS CA C 61 54.881 54.995 -0.114 1
1 405 . 20 1 1 A 31 31 LYS CB C 61 35.683 35.350 0.333 1
1 409 . 20 1 1 A 31 31 LYS N N 61 113.709 115.990 -2.281 1
1 410 . 20 1 1 A 32 32 MET H H 62 9.051 8.954 0.097 1
1 411 . 20 1 1 A 32 32 MET HA H 62 5.630 5.321 0.309 1
1 419 . 20 1 1 A 32 32 MET C C 62 172.898 174.263 -1.365 1
1 420 . 20 1 1 A 32 32 MET CA C 62 53.043 53.204 -0.161 1
1 421 . 20 1 1 A 32 32 MET CB C 62 35.214 35.850 -0.636 1
1 424 . 20 1 1 A 32 32 MET N N 62 118.635 116.438 2.197 1
1 425 . 20 1 1 A 33 33 VAL H H 63 9.186 8.701 0.485 1
1 426 . 20 1 1 A 33 33 VAL HA H 63 4.700 4.930 -0.230 1
1 434 . 20 1 1 A 33 33 VAL C C 63 174.133 173.529 0.604 1
1 435 . 20 1 1 A 33 33 VAL CA C 63 61.351 59.832 1.519 1
1 436 . 20 1 1 A 33 33 VAL CB C 63 34.651 35.562 -0.911 1
1 439 . 20 1 1 A 33 33 VAL N N 63 122.441 118.566 3.875 1
1 440 . 20 1 1 A 34 34 ILE H H 64 9.244 8.986 0.258 1
1 441 . 20 1 1 A 34 34 ILE HA H 64 4.302 4.695 -0.393 1
1 451 . 20 1 1 A 34 34 ILE C C 64 174.924 174.519 0.405 1
1 452 . 20 1 1 A 34 34 ILE CA C 64 60.422 59.779 0.643 1
1 453 . 20 1 1 A 34 34 ILE CB C 64 41.255 41.361 -0.106 1
1 457 . 20 1 1 A 34 34 ILE N N 64 127.876 127.189 0.687 1
1 458 . 20 1 1 A 35 35 LEU H H 65 9.117 9.430 -0.313 1
1 459 . 20 1 1 A 35 35 LEU HA H 65 5.531 5.463 0.068 1
1 469 . 20 1 1 A 35 35 LEU C C 65 178.538 176.119 2.419 1
1 470 . 20 1 1 A 35 35 LEU CA C 65 53.047 53.138 -0.091 1
1 471 . 20 1 1 A 35 35 LEU CB C 65 43.797 43.312 0.485 1
1 475 . 20 1 1 A 35 35 LEU N N 65 125.572 127.770 -2.198 1
1 476 . 20 1 1 A 36 36 THR H H 66 8.634 8.763 -0.129 1
1 477 . 20 1 1 A 36 36 THR HA H 66 5.212 5.278 -0.066 1
1 482 . 20 1 1 A 36 36 THR C C 66 174.918 174.639 0.279 1
1 483 . 20 1 1 A 36 36 THR CA C 66 59.374 59.642 -0.268 1
1 484 . 20 1 1 A 36 36 THR CB C 66 72.100 71.489 0.611 1
1 486 . 20 1 1 A 36 36 THR N N 66 112.840 115.303 -2.463 1
1 487 . 20 1 1 A 37 37 GLU H H 67 8.580 9.005 -0.425 1
1 488 . 20 1 1 A 37 37 GLU HA H 67 4.469 4.047 0.422 1
1 493 . 20 1 1 A 37 37 GLU C C 67 177.333 176.916 0.417 1
1 494 . 20 1 1 A 37 37 GLU CA C 67 57.348 56.611 0.737 1
1 495 . 20 1 1 A 37 37 GLU CB C 67 31.357 30.187 1.170 1
1 497 . 20 1 1 A 37 37 GLU N N 67 118.675 121.773 -3.098 1
1 498 . 20 1 1 A 38 38 ASN H H 68 8.580 9.213 -0.633 1
1 499 . 20 1 1 A 38 38 ASN HA H 68 3.768 4.495 -0.727 1
1 504 . 20 1 1 A 38 38 ASN C C 68 172.921 174.536 -1.615 1
1 505 . 20 1 1 A 38 38 ASN CA C 68 54.686 54.618 0.068 1
1 506 . 20 1 1 A 38 38 ASN CB C 68 36.511 37.041 -0.530 1
1 508 . 20 1 1 A 38 38 ASN N N 68 114.341 118.087 -3.746 1
1 510 . 20 1 1 A 39 39 LYS H H 69 7.891 8.475 -0.584 1
1 511 . 20 1 1 A 39 39 LYS HA H 69 3.936 3.819 0.117 1
1 520 . 20 1 1 A 39 39 LYS C C 69 177.032 176.128 0.904 1
1 521 . 20 1 1 A 39 39 LYS CA C 69 56.758 57.468 -0.710 1
1 522 . 20 1 1 A 39 39 LYS CB C 69 28.099 29.413 -1.314 1
1 526 . 20 1 1 A 39 39 LYS N N 69 107.932 109.636 -1.704 1
1 527 . 20 1 1 A 40 40 GLY H H 70 6.998 8.122 -1.124 1
1 528 . 20 1 1 A 40 40 GLY HA2 H 70 4.362 3.883 0.479 1
1 529 . 20 1 1 A 40 40 GLY HA3 H 70 3.875 4.061 -0.186 1
1 530 . 20 1 1 A 40 40 GLY C C 70 173.763 171.837 1.926 1
1 531 . 20 1 1 A 40 40 GLY CA C 70 46.628 45.625 1.003 1
1 532 . 20 1 1 A 40 40 GLY N N 70 107.011 107.495 -0.484 1
1 533 . 20 1 1 A 41 41 TYR H H 71 7.679 8.394 -0.715 1
1 534 . 20 1 1 A 41 41 TYR HA H 71 5.097 5.314 -0.217 1
1 541 . 20 1 1 A 41 41 TYR C C 71 174.452 172.840 1.612 1
1 542 . 20 1 1 A 41 41 TYR CA C 71 57.730 56.480 1.250 1
1 543 . 20 1 1 A 41 41 TYR CB C 71 40.474 41.939 -1.465 1
1 546 . 20 1 1 A 41 41 TYR N N 71 129.822 123.010 6.812 1
1 547 . 20 1 1 A 42 42 TYR H H 72 9.101 8.465 0.636 1
1 548 . 20 1 1 A 42 42 TYR HA H 72 4.875 5.054 -0.179 1
1 555 . 20 1 1 A 42 42 TYR C C 72 174.448 174.603 -0.155 1
1 556 . 20 1 1 A 42 42 TYR CA C 72 56.114 56.677 -0.563 1
1 557 . 20 1 1 A 42 42 TYR CB C 72 41.115 42.877 -1.762 1
1 560 . 20 1 1 A 42 42 TYR N N 72 126.527 126.526 0.001 1
1 561 . 20 1 1 A 43 43 THR H H 73 9.022 8.825 0.197 1
1 562 . 20 1 1 A 43 43 THR HA H 73 4.876 5.254 -0.378 1
1 567 . 20 1 1 A 43 43 THR C C 73 174.791 172.297 2.494 1
1 568 . 20 1 1 A 43 43 THR CA C 73 62.821 59.881 2.940 1
1 569 . 20 1 1 A 43 43 THR CB C 73 68.769 71.583 -2.814 1
1 571 . 20 1 1 A 43 43 THR N N 73 120.810 115.671 5.139 1
1 572 . 20 1 1 A 44 44 VAL H H 74 9.233 8.662 0.571 1
1 573 . 20 1 1 A 44 44 VAL HA H 74 4.427 4.809 -0.382 1
1 581 . 20 1 1 A 44 44 VAL C C 74 175.094 174.081 1.013 1
1 582 . 20 1 1 A 44 44 VAL CA C 74 61.457 60.796 0.661 1
1 583 . 20 1 1 A 44 44 VAL CB C 74 35.669 36.081 -0.412 1
1 586 . 20 1 1 A 44 44 VAL N N 74 129.156 126.046 3.110 1
1 587 . 20 1 1 A 45 45 TYR H H 75 9.384 9.066 0.318 1
1 588 . 20 1 1 A 45 45 TYR HA H 75 4.528 4.956 -0.428 1
1 595 . 20 1 1 A 45 45 TYR C C 75 176.497 176.201 0.296 1
1 596 . 20 1 1 A 45 45 TYR CA C 75 59.843 57.399 2.444 1
1 597 . 20 1 1 A 45 45 TYR CB C 75 38.245 39.933 -1.688 1
1 600 . 20 1 1 A 45 45 TYR N N 75 128.465 126.026 2.439 1
1 601 . 20 1 1 A 46 46 LEU H H 76 8.524 9.052 -0.528 1
1 602 . 20 1 1 A 46 46 LEU HA H 76 4.528 4.380 0.148 1
1 612 . 20 1 1 A 46 46 LEU C C 76 177.001 178.130 -1.129 1
1 613 . 20 1 1 A 46 46 LEU CA C 76 55.010 55.626 -0.616 1
1 614 . 20 1 1 A 46 46 LEU CB C 76 42.094 42.281 -0.187 1
1 618 . 20 1 1 A 46 46 LEU N N 76 119.547 124.965 -5.418 1
1 619 . 20 1 1 A 47 47 ASN H H 77 8.599 7.696 0.903 1
1 620 . 20 1 1 A 47 47 ASN HA H 77 4.618 4.647 -0.029 1
1 625 . 20 1 1 A 47 47 ASN C C 77 173.844 175.595 -1.751 1
1 626 . 20 1 1 A 47 47 ASN CA C 77 54.045 56.000 -1.955 1
1 627 . 20 1 1 A 47 47 ASN CB C 77 37.058 38.898 -1.840 1
1 629 . 20 1 1 A 47 47 ASN N N 77 116.407 116.393 0.014 1
1 631 . 20 1 1 A 48 48 THR H H 78 7.429 7.750 -0.321 1
1 632 . 20 1 1 A 48 48 THR HA H 78 4.803 5.092 -0.289 1
1 637 . 20 1 1 A 48 48 THR C C 78 175.201 172.892 2.309 1
1 638 . 20 1 1 A 48 48 THR CA C 78 58.577 58.997 -0.420 1
1 639 . 20 1 1 A 48 48 THR CB C 78 70.494 70.927 -0.433 1
1 641 . 20 1 1 A 48 48 THR N N 78 111.551 109.067 2.484 1
1 642 . 20 1 1 A 49 49 PRO HA H 79 4.462 4.575 -0.113 1
1 649 . 20 1 1 A 49 49 PRO C C 79 176.670 176.781 -0.111 1
1 650 . 20 1 1 A 49 49 PRO CA C 79 62.384 62.781 -0.397 1
1 651 . 20 1 1 A 49 49 PRO CB C 79 32.205 31.941 0.264 1
1 654 . 20 1 1 A 50 50 LEU H H 80 9.049 8.346 0.703 1
1 655 . 20 1 1 A 50 50 LEU HA H 80 4.081 4.468 -0.387 1
1 665 . 20 1 1 A 50 50 LEU C C 80 176.758 176.723 0.035 1
1 666 . 20 1 1 A 50 50 LEU CA C 80 55.315 53.575 1.740 1
1 667 . 20 1 1 A 50 50 LEU CB C 80 41.915 43.078 -1.163 1
1 671 . 20 1 1 A 50 50 LEU N N 80 126.341 119.435 6.906 1
1 672 . 20 1 1 A 51 51 ALA H H 81 8.415 9.045 -0.630 1
1 673 . 20 1 1 A 51 51 ALA HA H 81 4.187 4.438 -0.251 1
1 677 . 20 1 1 A 51 51 ALA C C 81 179.005 178.814 0.191 1
1 678 . 20 1 1 A 51 51 ALA CA C 81 52.851 52.111 0.740 1
1 679 . 20 1 1 A 51 51 ALA CB C 81 19.625 19.567 0.058 1
1 680 . 20 1 1 A 51 51 ALA N N 81 129.745 123.225 6.520 1
1 681 . 20 1 1 A 52 52 GLU H H 82 8.739 8.966 -0.227 1
1 682 . 20 1 1 A 52 52 GLU HA H 82 3.815 4.094 -0.279 1
1 687 . 20 1 1 A 52 52 GLU C C 82 178.591 177.976 0.615 1
1 688 . 20 1 1 A 52 52 GLU CA C 82 59.566 59.139 0.427 1
1 689 . 20 1 1 A 52 52 GLU CB C 82 29.774 29.123 0.651 1
1 691 . 20 1 1 A 52 52 GLU N N 82 121.424 120.090 1.334 1
1 692 . 20 1 1 A 53 53 ASP H H 83 8.511 8.093 0.418 1
1 693 . 20 1 1 A 53 53 ASP HA H 83 4.427 4.470 -0.043 1
1 696 . 20 1 1 A 53 53 ASP C C 83 177.306 177.267 0.039 1
1 697 . 20 1 1 A 53 53 ASP CA C 83 55.398 56.367 -0.969 1
1 698 . 20 1 1 A 53 53 ASP CB C 83 39.430 40.570 -1.140 1
1 699 . 20 1 1 A 53 53 ASP N N 83 114.043 119.643 -5.600 1
1 700 . 20 1 1 A 54 54 ARG H H 84 7.800 8.038 -0.238 1
1 701 . 20 1 1 A 54 54 ARG HA H 84 4.527 4.469 0.058 1
1 710 . 20 1 1 A 54 54 ARG C C 84 176.966 177.477 -0.511 1
1 711 . 20 1 1 A 54 54 ARG CA C 84 55.915 56.425 -0.510 1
1 712 . 20 1 1 A 54 54 ARG CB C 84 31.804 31.922 -0.118 1
1 715 . 20 1 1 A 54 54 ARG N N 84 118.147 117.130 1.017 1
1 718 . 20 1 1 A 55 55 LYS H H 85 7.335 7.931 -0.596 1
1 719 . 20 1 1 A 55 55 LYS HA H 85 3.551 4.067 -0.516 1
1 728 . 20 1 1 A 55 55 LYS C C 85 178.113 177.348 0.765 1
1 729 . 20 1 1 A 55 55 LYS CA C 85 59.887 58.780 1.107 1
1 730 . 20 1 1 A 55 55 LYS CB C 85 32.935 32.437 0.498 1
1 734 . 20 1 1 A 55 55 LYS N N 85 116.576 119.562 -2.986 1
1 735 . 20 1 1 A 56 56 ASN H H 86 8.347 7.760 0.587 1
1 736 . 20 1 1 A 56 56 ASN HA H 86 4.886 4.965 -0.079 1
1 741 . 20 1 1 A 56 56 ASN C C 86 174.736 174.768 -0.032 1
1 742 . 20 1 1 A 56 56 ASN CA C 86 52.265 52.923 -0.658 1
1 743 . 20 1 1 A 56 56 ASN CB C 86 38.239 40.087 -1.848 1
1 745 . 20 1 1 A 56 56 ASN N N 86 114.341 115.316 -0.975 1
1 747 . 20 1 1 A 57 57 VAL H H 87 6.985 7.447 -0.462 1
1 748 . 20 1 1 A 57 57 VAL HA H 87 3.746 4.060 -0.314 1
1 756 . 20 1 1 A 57 57 VAL C C 87 175.380 175.939 -0.559 1
1 757 . 20 1 1 A 57 57 VAL CA C 87 63.723 62.359 1.364 1
1 758 . 20 1 1 A 57 57 VAL CB C 87 32.650 32.836 -0.186 1
1 761 . 20 1 1 A 57 57 VAL N N 87 121.424 121.226 0.198 1
1 762 . 20 1 1 A 58 58 GLU H H 88 8.777 8.614 0.163 1
1 763 . 20 1 1 A 58 58 GLU HA H 88 4.339 4.643 -0.304 1
1 768 . 20 1 1 A 58 58 GLU C C 88 176.364 176.283 0.081 1
1 769 . 20 1 1 A 58 58 GLU CA C 88 56.085 56.323 -0.238 1
1 770 . 20 1 1 A 58 58 GLU CB C 88 29.861 30.183 -0.322 1
1 772 . 20 1 1 A 58 58 GLU N N 88 129.489 127.798 1.691 1
1 773 . 20 1 1 A 59 59 LEU H H 89 8.230 8.826 -0.596 1
1 774 . 20 1 1 A 59 59 LEU HA H 89 4.299 4.225 0.074 1
1 784 . 20 1 1 A 59 59 LEU C C 89 178.976 178.083 0.893 1
1 785 . 20 1 1 A 59 59 LEU CA C 89 54.651 55.300 -0.649 1
1 786 . 20 1 1 A 59 59 LEU CB C 89 42.596 41.726 0.870 1
1 790 . 20 1 1 A 59 59 LEU N N 89 124.395 126.448 -2.053 1
1 791 . 20 1 1 A 60 60 LEU H H 90 7.777 9.255 -1.478 1
1 792 . 20 1 1 A 60 60 LEU HA H 90 4.135 4.314 -0.179 1
1 802 . 20 1 1 A 60 60 LEU C C 90 176.394 176.930 -0.536 1
1 803 . 20 1 1 A 60 60 LEU CA C 90 56.754 56.534 0.220 1
1 804 . 20 1 1 A 60 60 LEU CB C 90 42.413 42.905 -0.492 1
1 808 . 20 1 1 A 60 60 LEU N N 90 119.734 125.043 -5.309 1
1 809 . 20 1 1 A 61 61 GLY H H 91 7.224 7.461 -0.237 1
1 810 . 20 1 1 A 61 61 GLY HA2 H 91 4.165 4.104 0.061 1
1 811 . 20 1 1 A 61 61 GLY HA3 H 91 3.899 4.113 -0.214 1
1 812 . 20 1 1 A 61 61 GLY C C 91 171.742 172.233 -0.491 1
1 813 . 20 1 1 A 61 61 GLY CA C 91 44.969 45.695 -0.726 1
1 814 . 20 1 1 A 61 61 GLY N N 91 103.707 104.774 -1.067 1
1 815 . 20 1 1 A 62 62 LYS H H 92 8.771 8.533 0.238 1
1 816 . 20 1 1 A 62 62 LYS HA H 92 4.150 4.263 -0.113 1
1 825 . 20 1 1 A 62 62 LYS C C 92 177.522 176.954 0.568 1
1 826 . 20 1 1 A 62 62 LYS CA C 92 56.750 56.706 0.044 1
1 827 . 20 1 1 A 62 62 LYS CB C 92 33.835 32.763 1.072 1
1 831 . 20 1 1 A 62 62 LYS N N 92 118.635 120.019 -1.384 1
1 832 . 20 1 1 A 63 63 MET H H 93 9.188 8.566 0.622 1
1 833 . 20 1 1 A 63 63 MET HA H 93 3.835 4.353 -0.518 1
1 841 . 20 1 1 A 63 63 MET C C 93 173.913 175.638 -1.725 1
1 842 . 20 1 1 A 63 63 MET CA C 93 59.275 56.739 2.536 1
1 843 . 20 1 1 A 63 63 MET CB C 93 31.483 33.224 -1.741 1
1 846 . 20 1 1 A 63 63 MET N N 93 123.413 123.424 -0.011 1
1 847 . 20 1 1 A 64 64 TYR H H 94 9.421 8.799 0.622 1
1 848 . 20 1 1 A 64 64 TYR HA H 94 4.767 4.688 0.079 1
1 855 . 20 1 1 A 64 64 TYR C C 94 173.918 174.455 -0.537 1
1 856 . 20 1 1 A 64 64 TYR CA C 94 56.933 58.964 -2.031 1
1 857 . 20 1 1 A 64 64 TYR CB C 94 40.020 40.954 -0.934 1
1 860 . 20 1 1 A 64 64 TYR N N 94 129.403 126.326 3.077 1
1 861 . 20 1 1 A 65 65 LYS H H 95 7.289 7.611 -0.322 1
1 862 . 20 1 1 A 65 65 LYS HA H 95 4.688 4.728 -0.040 1
1 871 . 20 1 1 A 65 65 LYS C C 95 175.000 174.440 0.560 1
1 872 . 20 1 1 A 65 65 LYS CA C 95 55.841 54.735 1.106 1
1 873 . 20 1 1 A 65 65 LYS CB C 95 40.404 37.019 3.385 1
1 877 . 20 1 1 A 65 65 LYS N N 95 118.804 116.994 1.810 1
1 878 . 20 1 1 A 66 66 THR H H 96 8.727 7.961 0.766 1
1 879 . 20 1 1 A 66 66 THR HA H 96 5.149 5.158 -0.009 1
1 885 . 20 1 1 A 66 66 THR C C 96 172.120 172.562 -0.442 1
1 886 . 20 1 1 A 66 66 THR CA C 96 62.226 60.446 1.780 1
1 887 . 20 1 1 A 66 66 THR CB C 96 71.787 71.811 -0.024 1
1 889 . 20 1 1 A 66 66 THR N N 96 116.235 115.380 0.855 1
1 890 . 20 1 1 A 67 67 TYR H H 97 8.969 8.895 0.074 1
1 891 . 20 1 1 A 67 67 TYR HA H 97 5.027 5.022 0.005 1
1 898 . 20 1 1 A 67 67 TYR C C 97 175.077 174.664 0.413 1
1 899 . 20 1 1 A 67 67 TYR CA C 97 57.278 56.349 0.929 1
1 900 . 20 1 1 A 67 67 TYR CB C 97 42.054 41.969 0.085 1
1 903 . 20 1 1 A 67 67 TYR N N 97 125.256 124.388 0.868 1
1 904 . 20 1 1 A 68 68 PHE H H 98 9.189 8.983 0.206 1
1 905 . 20 1 1 A 68 68 PHE HA H 98 5.177 4.879 0.298 1
1 913 . 20 1 1 A 68 68 PHE C C 98 174.791 174.996 -0.205 1
1 914 . 20 1 1 A 68 68 PHE CA C 98 57.825 56.277 1.548 1
1 915 . 20 1 1 A 68 68 PHE CB C 98 42.377 43.016 -0.639 1
1 919 . 20 1 1 A 68 68 PHE N N 98 118.574 120.528 -1.954 1
1 920 . 20 1 1 A 69 69 PHE H H 99 8.976 9.283 -0.307 1
1 921 . 20 1 1 A 69 69 PHE HA H 99 4.893 5.134 -0.241 1
1 929 . 20 1 1 A 69 69 PHE C C 99 176.386 175.620 0.766 1
1 930 . 20 1 1 A 69 69 PHE CA C 99 56.777 56.260 0.517 1
1 931 . 20 1 1 A 69 69 PHE CB C 99 41.371 42.195 -0.824 1
1 935 . 20 1 1 A 69 69 PHE N N 99 119.573 120.966 -1.393 1
1 936 . 20 1 1 A 70 70 LYS H H 100 9.479 8.764 0.715 1
1 937 . 20 1 1 A 70 70 LYS HA H 100 4.533 4.240 0.293 1
1 946 . 20 1 1 A 70 70 LYS C C 100 176.156 176.282 -0.126 1
1 947 . 20 1 1 A 70 70 LYS CA C 100 56.706 56.210 0.496 1
1 948 . 20 1 1 A 70 70 LYS CB C 100 33.667 33.168 0.499 1
1 952 . 20 1 1 A 70 70 LYS N N 100 125.614 123.365 2.249 1
1 953 . 20 1 1 A 71 71 LYS H H 101 8.068 8.636 -0.568 1
1 954 . 20 1 1 A 71 71 LYS HA H 101 4.188 4.149 0.039 1
1 963 . 20 1 1 A 71 71 LYS C C 101 177.655 177.001 0.654 1
1 964 . 20 1 1 A 71 71 LYS CA C 101 58.238 57.194 1.044 1
1 965 . 20 1 1 A 71 71 LYS CB C 101 32.342 32.014 0.328 1
1 969 . 20 1 1 A 71 71 LYS N N 101 121.057 121.149 -0.092 1
1 970 . 20 1 1 A 72 72 GLY H H 102 8.899 9.289 -0.390 1
1 971 . 20 1 1 A 72 72 GLY HA2 H 102 4.196 4.032 0.164 1
1 972 . 20 1 1 A 72 72 GLY HA3 H 102 3.815 4.042 -0.227 1
1 973 . 20 1 1 A 72 72 GLY C C 102 173.997 174.643 -0.646 1
1 974 . 20 1 1 A 72 72 GLY CA C 102 45.802 45.054 0.748 1
1 975 . 20 1 1 A 72 72 GLY N N 102 114.112 113.510 0.602 1
1 976 . 20 1 1 A 73 73 GLU H H 103 8.047 8.071 -0.024 1
1 977 . 20 1 1 A 73 73 GLU HA H 103 4.764 4.638 0.126 1
1 982 . 20 1 1 A 73 73 GLU C C 103 175.975 176.122 -0.147 1
1 983 . 20 1 1 A 73 73 GLU CA C 103 56.295 55.374 0.921 1
1 984 . 20 1 1 A 73 73 GLU CB C 103 31.153 31.177 -0.024 1
1 986 . 20 1 1 A 73 73 GLU N N 103 119.538 120.676 -1.138 1
1 987 . 20 1 1 A 74 74 SER H H 104 8.742 9.007 -0.265 1
1 988 . 20 1 1 A 74 74 SER HA H 104 4.598 4.600 -0.002 1
1 991 . 20 1 1 A 74 74 SER C C 104 171.916 173.357 -1.441 1
1 992 . 20 1 1 A 74 74 SER CA C 104 58.363 57.828 0.535 1
1 993 . 20 1 1 A 74 74 SER CB C 104 64.025 64.456 -0.431 1
1 994 . 20 1 1 A 74 74 SER N N 104 115.383 116.770 -1.387 1
1 995 . 20 1 1 A 75 75 LYS H H 105 7.608 7.566 0.042 1
1 996 . 20 1 1 A 75 75 LYS HA H 105 5.588 5.184 0.404 1
1 1005 . 20 1 1 A 75 75 LYS C C 105 176.017 174.541 1.476 1
1 1006 . 20 1 1 A 75 75 LYS CA C 105 54.548 56.056 -1.508 1
1 1007 . 20 1 1 A 75 75 LYS CB C 105 35.211 35.969 -0.758 1
1 1011 . 20 1 1 A 75 75 LYS N N 105 121.040 122.227 -1.187 1
1 1012 . 20 1 1 A 76 76 SER H H 106 8.231 9.074 -0.843 1
1 1013 . 20 1 1 A 76 76 SER HA H 106 3.377 4.392 -1.015 1
1 1016 . 20 1 1 A 76 76 SER C C 106 172.571 174.299 -1.728 1
1 1017 . 20 1 1 A 76 76 SER CA C 106 59.650 57.616 2.034 1
1 1018 . 20 1 1 A 76 76 SER CB C 106 64.857 64.746 0.111 1
1 1019 . 20 1 1 A 76 76 SER N N 106 121.783 118.069 3.714 1
1 1020 . 20 1 1 A 77 77 SER H H 107 8.333 9.014 -0.681 1
1 1021 . 20 1 1 A 77 77 SER HA H 107 5.025 4.713 0.312 1
1 1024 . 20 1 1 A 77 77 SER C C 107 174.507 173.585 0.922 1
1 1025 . 20 1 1 A 77 77 SER CA C 107 57.561 58.170 -0.609 1
1 1026 . 20 1 1 A 77 77 SER CB C 107 65.330 65.706 -0.376 1
1 1027 . 20 1 1 A 77 77 SER N N 107 106.276 116.697 -10.421 1
1 1028 . 20 1 1 A 78 78 TYR H H 108 7.825 7.213 0.612 1
1 1029 . 20 1 1 A 78 78 TYR HA H 108 4.754 4.719 0.035 1
1 1036 . 20 1 1 A 78 78 TYR C C 108 171.725 173.572 -1.847 1
1 1037 . 20 1 1 A 78 78 TYR CA C 108 57.778 57.068 0.710 1
1 1038 . 20 1 1 A 78 78 TYR CB C 108 43.223 41.842 1.381 1
1 1041 . 20 1 1 A 78 78 TYR N N 108 126.289 119.524 6.765 1
1 1042 . 20 1 1 A 79 79 VAL H H 109 7.760 8.323 -0.563 1
1 1043 . 20 1 1 A 79 79 VAL HA H 109 5.215 4.754 0.461 1
1 1051 . 20 1 1 A 79 79 VAL C C 109 172.526 174.238 -1.712 1
1 1052 . 20 1 1 A 79 79 VAL CA C 109 59.193 59.568 -0.375 1
1 1053 . 20 1 1 A 79 79 VAL CB C 109 36.173 35.823 0.350 1
1 1056 . 20 1 1 A 79 79 VAL N N 109 127.825 121.461 6.364 1
1 1057 . 20 1 1 A 80 80 ILE H H 110 8.616 8.082 0.534 1
1 1058 . 20 1 1 A 80 80 ILE HA H 110 4.011 4.451 -0.440 1
1 1068 . 20 1 1 A 80 80 ILE C C 110 174.690 174.077 0.613 1
1 1069 . 20 1 1 A 80 80 ILE CA C 110 60.922 59.712 1.210 1
1 1070 . 20 1 1 A 80 80 ILE CB C 110 42.047 41.547 0.500 1
1 1074 . 20 1 1 A 80 80 ILE N N 110 124.001 121.837 2.164 1
1 1075 . 20 1 1 A 81 81 ASN H H 111 8.937 8.430 0.507 1
1 1076 . 20 1 1 A 81 81 ASN HA H 111 4.760 5.294 -0.534 1
1 1081 . 20 1 1 A 81 81 ASN C C 111 175.326 175.073 0.253 1
1 1082 . 20 1 1 A 81 81 ASN CA C 111 53.600 52.155 1.445 1
1 1083 . 20 1 1 A 81 81 ASN CB C 111 40.412 40.567 -0.155 1
1 1085 . 20 1 1 A 81 81 ASN N N 111 126.229 124.567 1.662 1
1 1087 . 20 1 1 A 82 82 GLY H H 112 7.984 8.491 -0.507 1
1 1088 . 20 1 1 A 82 82 GLY HA2 H 112 4.457 4.259 0.198 1
1 1089 . 20 1 1 A 82 82 GLY HA3 H 112 3.847 4.300 -0.453 1
1 1090 . 20 1 1 A 82 82 GLY C C 112 171.875 174.360 -2.485 1
1 1091 . 20 1 1 A 82 82 GLY CA C 112 43.303 44.045 -0.742 1
1 1092 . 20 1 1 A 82 82 GLY N N 112 110.894 108.559 2.335 1
1 1093 . 20 1 1 A 83 83 PRO HA H 113 4.609 4.538 0.071 1
1 1100 . 20 1 1 A 83 83 PRO C C 113 178.327 176.078 2.249 1
1 1101 . 20 1 1 A 83 83 PRO CA C 113 63.342 63.860 -0.518 1
1 1102 . 20 1 1 A 83 83 PRO CB C 113 32.232 31.866 0.366 1
1 1105 . 20 1 1 A 84 84 GLY H H 114 8.939 8.111 0.828 1
1 1106 . 20 1 1 A 84 84 GLY HA2 H 114 4.055 4.110 -0.055 1
1 1107 . 20 1 1 A 84 84 GLY HA3 H 114 3.192 4.167 -0.975 1
1 1108 . 20 1 1 A 84 84 GLY C C 114 172.587 174.451 -1.864 1
1 1109 . 20 1 1 A 84 84 GLY CA C 114 44.667 44.312 0.355 1
1 1110 . 20 1 1 A 84 84 GLY N N 114 109.324 109.990 -0.666 1
1 1111 . 20 1 1 A 85 85 LYS H H 115 9.550 8.870 0.680 1
1 1112 . 20 1 1 A 85 85 LYS HA H 115 4.527 4.532 -0.005 1
1 1121 . 20 1 1 A 85 85 LYS C C 115 175.690 175.178 0.512 1
1 1122 . 20 1 1 A 85 85 LYS CA C 115 56.251 56.735 -0.484 1
1 1123 . 20 1 1 A 85 85 LYS CB C 115 34.217 35.472 -1.255 1
1 1127 . 20 1 1 A 85 85 LYS N N 115 119.240 119.765 -0.525 1
1 1128 . 20 1 1 A 86 86 THR H H 116 7.327 6.824 0.503 1
1 1129 . 20 1 1 A 86 86 THR HA H 116 3.572 3.726 -0.154 1
1 1134 . 20 1 1 A 86 86 THR C C 116 170.519 172.636 -2.117 1
1 1135 . 20 1 1 A 86 86 THR CA C 116 59.094 60.004 -0.910 1
1 1136 . 20 1 1 A 86 86 THR CB C 116 68.191 69.357 -1.166 1
1 1138 . 20 1 1 A 86 86 THR N N 116 113.403 111.159 2.244 1
1 1139 . 20 1 1 A 87 87 ASN H H 117 8.035 8.576 -0.541 1
1 1140 . 20 1 1 A 87 87 ASN HA H 117 4.914 4.730 0.184 1
1 1145 . 20 1 1 A 87 87 ASN C C 117 175.798 175.764 0.034 1
1 1146 . 20 1 1 A 87 87 ASN CA C 117 52.062 55.024 -2.962 1
1 1147 . 20 1 1 A 87 87 ASN CB C 117 40.563 39.626 0.937 1
1 1149 . 20 1 1 A 87 87 ASN N N 117 118.907 121.544 -2.637 1
1 1151 . 20 1 1 A 88 88 GLU H H 118 8.362 7.377 0.985 1
1 1152 . 20 1 1 A 88 88 GLU HA H 118 4.116 3.556 0.560 1
1 1157 . 20 1 1 A 88 88 GLU C C 118 175.935 174.762 1.173 1
1 1158 . 20 1 1 A 88 88 GLU CA C 118 55.589 54.543 1.046 1
1 1159 . 20 1 1 A 88 88 GLU CB C 118 29.435 27.497 1.938 1
1 1161 . 20 1 1 A 88 88 GLU N N 118 119.547 116.554 2.993 1
1 1162 . 20 1 1 A 89 89 TYR H H 119 7.918 8.020 -0.102 1
1 1163 . 20 1 1 A 89 89 TYR HA H 119 4.639 4.129 0.510 1
1 1170 . 20 1 1 A 89 89 TYR C C 119 175.750 174.977 0.773 1
1 1171 . 20 1 1 A 89 89 TYR CA C 119 59.270 58.407 0.863 1
1 1172 . 20 1 1 A 89 89 TYR CB C 119 38.274 36.209 2.065 1
1 1175 . 20 1 1 A 89 89 TYR N N 119 118.293 115.715 2.578 1
1 1176 . 20 1 1 A 90 90 ALA H H 120 8.285 8.667 -0.382 1
1 1177 . 20 1 1 A 90 90 ALA HA H 120 4.273 3.959 0.314 1
1 1181 . 20 1 1 A 90 90 ALA C C 120 175.773 175.706 0.067 1
1 1182 . 20 1 1 A 90 90 ALA CA C 120 52.014 53.458 -1.444 1
1 1183 . 20 1 1 A 90 90 ALA CB C 120 19.920 18.066 1.854 1
1 1184 . 20 1 1 A 90 90 ALA N N 120 126.212 117.291 8.921 1
1 11 . 21 1 1 A 2 2 SER HA H 32 4.469 4.780 -0.311 1
1 14 . 21 1 1 A 2 2 SER C C 32 174.865 173.844 1.021 1
1 15 . 21 1 1 A 2 2 SER CA C 32 58.680 58.075 0.605 1
1 16 . 21 1 1 A 2 2 SER CB C 32 63.805 65.855 -2.050 1
1 17 . 21 1 1 A 3 3 GLY H H 33 8.513 7.430 1.083 1
1 18 . 21 1 1 A 3 3 GLY HA2 H 33 3.972 4.099 -0.127 1
1 19 . 21 1 1 A 3 3 GLY HA3 H 33 3.972 4.100 -0.128 1
1 20 . 21 1 1 A 3 3 GLY C C 33 173.735 171.736 1.999 1
1 21 . 21 1 1 A 3 3 GLY CA C 33 45.132 45.192 -0.060 1
1 22 . 21 1 1 A 3 3 GLY N N 33 110.526 108.278 2.248 1
1 23 . 21 1 1 A 4 4 LEU H H 34 8.145 8.221 -0.076 1
1 24 . 21 1 1 A 4 4 LEU HA H 34 4.599 4.919 -0.320 1
1 34 . 21 1 1 A 4 4 LEU C C 34 175.201 174.396 0.805 1
1 35 . 21 1 1 A 4 4 LEU CA C 34 53.002 51.583 1.419 1
1 36 . 21 1 1 A 4 4 LEU CB C 34 41.772 45.550 -3.778 1
1 40 . 21 1 1 A 4 4 LEU N N 34 122.423 121.124 1.299 1
1 41 . 21 1 1 A 5 5 PRO HA H 35 4.551 4.761 -0.210 1
1 48 . 21 1 1 A 5 5 PRO C C 35 176.487 176.139 0.348 1
1 49 . 21 1 1 A 5 5 PRO CA C 35 62.771 62.537 0.234 1
1 50 . 21 1 1 A 5 5 PRO CB C 35 32.488 31.814 0.674 1
1 53 . 21 1 1 A 6 6 THR H H 36 8.447 8.515 -0.068 1
1 54 . 21 1 1 A 6 6 THR HA H 36 4.445 4.526 -0.081 1
1 59 . 21 1 1 A 6 6 THR C C 36 174.231 173.337 0.894 1
1 60 . 21 1 1 A 6 6 THR CA C 36 61.727 61.244 0.483 1
1 61 . 21 1 1 A 6 6 THR CB C 36 69.213 70.337 -1.124 1
1 63 . 21 1 1 A 6 6 THR N N 36 111.916 117.734 -5.818 1
1 64 . 21 1 1 A 7 7 THR H H 37 7.303 7.293 0.010 1
1 65 . 21 1 1 A 7 7 THR HA H 37 5.232 4.928 0.304 1
1 70 . 21 1 1 A 7 7 THR C C 37 175.848 174.914 0.934 1
1 71 . 21 1 1 A 7 7 THR CA C 37 58.599 59.529 -0.930 1
1 72 . 21 1 1 A 7 7 THR CB C 37 71.971 72.299 -0.328 1
1 74 . 21 1 1 A 7 7 THR N N 37 110.288 113.065 -2.777 1
1 75 . 21 1 1 A 8 8 LEU H H 38 9.065 8.514 0.551 1
1 76 . 21 1 1 A 8 8 LEU HA H 38 3.829 3.857 -0.028 1
1 86 . 21 1 1 A 8 8 LEU C C 38 177.964 178.775 -0.811 1
1 87 . 21 1 1 A 8 8 LEU CA C 38 57.613 57.822 -0.209 1
1 88 . 21 1 1 A 8 8 LEU CB C 38 41.058 41.174 -0.116 1
1 92 . 21 1 1 A 8 8 LEU N N 38 122.441 123.527 -1.086 1
1 93 . 21 1 1 A 9 9 GLY H H 39 8.753 7.945 0.808 1
1 94 . 21 1 1 A 9 9 GLY HA2 H 39 3.969 3.772 0.197 1
1 95 . 21 1 1 A 9 9 GLY HA3 H 39 3.769 3.774 -0.005 1
1 96 . 21 1 1 A 9 9 GLY C C 39 176.615 175.799 0.816 1
1 97 . 21 1 1 A 9 9 GLY CA C 39 47.314 47.125 0.189 1
1 98 . 21 1 1 A 9 9 GLY N N 39 104.356 106.959 -2.603 1
1 99 . 21 1 1 A 10 10 LYS H H 40 7.341 7.949 -0.608 1
1 100 . 21 1 1 A 10 10 LYS HA H 40 4.241 3.971 0.270 1
1 109 . 21 1 1 A 10 10 LYS C C 40 179.292 179.379 -0.087 1
1 110 . 21 1 1 A 10 10 LYS CA C 40 58.108 59.290 -1.182 1
1 111 . 21 1 1 A 10 10 LYS CB C 40 32.346 32.224 0.122 1
1 115 . 21 1 1 A 10 10 LYS N N 40 120.741 122.266 -1.525 1
1 116 . 21 1 1 A 11 11 LEU H H 41 8.033 7.725 0.308 1
1 117 . 21 1 1 A 11 11 LEU HA H 41 4.059 3.981 0.078 1
1 127 . 21 1 1 A 11 11 LEU C C 41 177.253 177.917 -0.664 1
1 128 . 21 1 1 A 11 11 LEU CA C 41 57.978 57.677 0.301 1
1 129 . 21 1 1 A 11 11 LEU CB C 41 41.760 41.651 0.109 1
1 133 . 21 1 1 A 11 11 LEU N N 41 121.501 121.301 0.200 1
1 134 . 21 1 1 A 12 12 ASP H H 42 9.025 8.395 0.630 1
1 135 . 21 1 1 A 12 12 ASP HA H 42 4.045 4.297 -0.252 1
1 138 . 21 1 1 A 12 12 ASP C C 42 176.536 178.641 -2.105 1
1 139 . 21 1 1 A 12 12 ASP CA C 42 58.740 57.844 0.896 1
1 140 . 21 1 1 A 12 12 ASP CB C 42 44.783 42.037 2.746 1
1 141 . 21 1 1 A 12 12 ASP N N 42 119.776 119.240 0.536 1
1 142 . 21 1 1 A 13 13 GLU H H 43 7.253 8.108 -0.855 1
1 143 . 21 1 1 A 13 13 GLU HA H 43 3.869 4.076 -0.207 1
1 148 . 21 1 1 A 13 13 GLU C C 43 178.916 178.710 0.206 1
1 149 . 21 1 1 A 13 13 GLU CA C 43 59.511 59.038 0.473 1
1 150 . 21 1 1 A 13 13 GLU CB C 43 30.131 29.239 0.892 1
1 152 . 21 1 1 A 13 13 GLU N N 43 116.304 119.068 -2.764 1
1 153 . 21 1 1 A 14 14 ARG H H 44 7.234 7.725 -0.491 1
1 154 . 21 1 1 A 14 14 ARG HA H 44 3.920 4.160 -0.240 1
1 163 . 21 1 1 A 14 14 ARG C C 44 177.609 179.175 -1.566 1
1 164 . 21 1 1 A 14 14 ARG CA C 44 58.607 59.009 -0.402 1
1 165 . 21 1 1 A 14 14 ARG CB C 44 30.304 29.805 0.499 1
1 168 . 21 1 1 A 14 14 ARG N N 44 118.267 120.711 -2.444 1
1 171 . 21 1 1 A 15 15 LEU H H 45 8.734 8.576 0.158 1
1 172 . 21 1 1 A 15 15 LEU HA H 45 3.809 3.994 -0.185 1
1 182 . 21 1 1 A 15 15 LEU C C 45 179.204 179.332 -0.128 1
1 183 . 21 1 1 A 15 15 LEU CA C 45 58.248 57.685 0.563 1
1 184 . 21 1 1 A 15 15 LEU CB C 45 42.076 41.239 0.837 1
1 188 . 21 1 1 A 15 15 LEU N N 45 117.856 119.918 -2.062 1
1 189 . 21 1 1 A 16 16 ARG H H 46 8.280 8.385 -0.105 1
1 190 . 21 1 1 A 16 16 ARG HA H 46 3.863 4.132 -0.269 1
1 200 . 21 1 1 A 16 16 ARG C C 46 179.432 179.007 0.425 1
1 201 . 21 1 1 A 16 16 ARG CA C 46 60.779 59.241 1.538 1
1 202 . 21 1 1 A 16 16 ARG CB C 46 29.824 29.802 0.022 1
1 205 . 21 1 1 A 16 16 ARG N N 46 115.954 119.435 -3.481 1
1 209 . 21 1 1 A 17 17 ASN H H 47 7.433 7.847 -0.414 1
1 210 . 21 1 1 A 17 17 ASN HA H 47 4.458 4.565 -0.107 1
1 215 . 21 1 1 A 17 17 ASN C C 47 177.657 178.149 -0.492 1
1 216 . 21 1 1 A 17 17 ASN CA C 47 56.297 56.213 0.084 1
1 217 . 21 1 1 A 17 17 ASN CB C 47 38.540 38.359 0.181 1
1 219 . 21 1 1 A 17 17 ASN N N 47 118.514 117.562 0.952 1
1 221 . 21 1 1 A 18 18 TYR H H 48 8.945 8.594 0.351 1
1 222 . 21 1 1 A 18 18 TYR HA H 48 4.184 4.306 -0.122 1
1 229 . 21 1 1 A 18 18 TYR C C 48 177.806 178.220 -0.414 1
1 230 . 21 1 1 A 18 18 TYR CA C 48 58.651 61.335 -2.684 1
1 231 . 21 1 1 A 18 18 TYR CB C 48 36.527 37.663 -1.136 1
1 234 . 21 1 1 A 18 18 TYR N N 48 121.714 119.512 2.202 1
1 235 . 21 1 1 A 19 19 LEU H H 49 8.293 8.495 -0.202 1
1 236 . 21 1 1 A 19 19 LEU HA H 49 3.410 3.612 -0.202 1
1 246 . 21 1 1 A 19 19 LEU C C 49 179.153 178.423 0.730 1
1 247 . 21 1 1 A 19 19 LEU CA C 49 57.822 58.004 -0.182 1
1 248 . 21 1 1 A 19 19 LEU CB C 49 41.929 41.658 0.271 1
1 252 . 21 1 1 A 19 19 LEU N N 49 119.284 120.531 -1.247 1
1 253 . 21 1 1 A 20 20 LYS H H 50 7.322 7.606 -0.284 1
1 254 . 21 1 1 A 20 20 LYS HA H 50 3.893 3.816 0.077 1
1 263 . 21 1 1 A 20 20 LYS C C 50 177.980 179.090 -1.110 1
1 264 . 21 1 1 A 20 20 LYS CA C 50 59.104 60.264 -1.160 1
1 265 . 21 1 1 A 20 20 LYS CB C 50 32.348 32.132 0.216 1
1 269 . 21 1 1 A 20 20 LYS N N 50 117.005 117.961 -0.956 1
1 270 . 21 1 1 A 21 21 LYS H H 51 7.435 7.942 -0.507 1
1 271 . 21 1 1 A 21 21 LYS HA H 51 4.080 4.019 0.061 1
1 280 . 21 1 1 A 21 21 LYS C C 51 178.971 177.969 1.002 1
1 281 . 21 1 1 A 21 21 LYS CA C 51 57.418 58.566 -1.148 1
1 282 . 21 1 1 A 21 21 LYS CB C 51 32.675 32.584 0.091 1
1 286 . 21 1 1 A 21 21 LYS N N 51 115.946 118.218 -2.272 1
1 287 . 21 1 1 A 22 22 GLY H H 52 8.290 7.924 0.366 1
1 288 . 21 1 1 A 22 22 GLY HA2 H 52 3.897 3.992 -0.095 1
1 289 . 21 1 1 A 22 22 GLY HA3 H 52 4.181 4.070 0.111 1
1 290 . 21 1 1 A 22 22 GLY C C 52 173.610 173.868 -0.258 1
1 291 . 21 1 1 A 22 22 GLY CA C 52 45.088 45.191 -0.103 1
1 292 . 21 1 1 A 22 22 GLY N N 52 105.432 108.006 -2.574 1
1 293 . 21 1 1 A 23 23 THR H H 53 7.148 7.110 0.038 1
1 294 . 21 1 1 A 23 23 THR HA H 53 4.838 4.530 0.308 1
1 300 . 21 1 1 A 23 23 THR C C 53 174.444 174.643 -0.199 1
1 301 . 21 1 1 A 23 23 THR CA C 53 59.766 59.496 0.270 1
1 302 . 21 1 1 A 23 23 THR CB C 53 72.471 71.639 0.832 1
1 304 . 21 1 1 A 23 23 THR N N 53 107.608 112.126 -4.518 1
1 305 . 21 1 1 A 24 24 LYS H H 54 8.414 8.717 -0.303 1
1 306 . 21 1 1 A 24 24 LYS HA H 54 4.355 4.239 0.116 1
1 315 . 21 1 1 A 24 24 LYS C C 54 177.632 176.648 0.984 1
1 316 . 21 1 1 A 24 24 LYS CA C 54 57.393 57.614 -0.221 1
1 317 . 21 1 1 A 24 24 LYS CB C 54 32.806 32.930 -0.124 1
1 321 . 21 1 1 A 24 24 LYS N N 54 118.924 119.044 -0.120 1
1 322 . 21 1 1 A 25 25 ASN H H 55 7.823 7.721 0.102 1
1 323 . 21 1 1 A 25 25 ASN HA H 55 4.992 5.013 -0.021 1
1 328 . 21 1 1 A 25 25 ASN C C 55 174.882 174.961 -0.079 1
1 329 . 21 1 1 A 25 25 ASN CA C 55 51.540 51.806 -0.266 1
1 330 . 21 1 1 A 25 25 ASN CB C 55 38.209 41.537 -3.328 1
1 332 . 21 1 1 A 25 25 ASN N N 55 116.576 114.025 2.551 1
1 334 . 21 1 1 A 26 26 SER H H 56 8.557 8.672 -0.115 1
1 335 . 21 1 1 A 26 26 SER HA H 56 4.145 4.822 -0.677 1
1 338 . 21 1 1 A 26 26 SER C C 56 176.886 175.351 1.535 1
1 339 . 21 1 1 A 26 26 SER CA C 56 61.051 58.276 2.775 1
1 340 . 21 1 1 A 26 26 SER CB C 56 62.398 65.359 -2.961 1
1 341 . 21 1 1 A 26 26 SER N N 56 118.968 114.801 4.167 1
1 342 . 21 1 1 A 27 27 ALA H H 57 8.133 7.973 0.160 1
1 343 . 21 1 1 A 27 27 ALA HA H 57 4.277 4.065 0.212 1
1 347 . 21 1 1 A 27 27 ALA C C 57 177.779 179.280 -1.501 1
1 348 . 21 1 1 A 27 27 ALA CA C 57 54.020 54.904 -0.884 1
1 349 . 21 1 1 A 27 27 ALA CB C 57 18.258 18.285 -0.027 1
1 350 . 21 1 1 A 27 27 ALA N N 57 125.334 123.057 2.277 1
1 351 . 21 1 1 A 28 28 GLN H H 58 7.113 8.211 -1.098 1
1 352 . 21 1 1 A 28 28 GLN HA H 58 4.262 4.266 -0.004 1
1 359 . 21 1 1 A 28 28 GLN C C 58 174.984 176.149 -1.165 1
1 360 . 21 1 1 A 28 28 GLN CA C 58 56.272 56.241 0.031 1
1 361 . 21 1 1 A 28 28 GLN CB C 58 28.627 27.975 0.652 1
1 364 . 21 1 1 A 28 28 GLN N N 58 112.472 113.512 -1.040 1
1 366 . 21 1 1 A 29 29 PHE H H 59 7.361 7.240 0.121 1
1 367 . 21 1 1 A 29 29 PHE HA H 59 4.622 4.604 0.018 1
1 375 . 21 1 1 A 29 29 PHE C C 59 173.987 175.376 -1.389 1
1 376 . 21 1 1 A 29 29 PHE CA C 59 59.534 58.770 0.764 1
1 377 . 21 1 1 A 29 29 PHE CB C 59 38.939 39.935 -0.996 1
1 381 . 21 1 1 A 29 29 PHE N N 59 118.258 120.073 -1.815 1
1 382 . 21 1 1 A 30 30 GLU H H 60 9.228 9.648 -0.420 1
1 383 . 21 1 1 A 30 30 GLU HA H 60 4.479 4.632 -0.153 1
1 388 . 21 1 1 A 30 30 GLU C C 60 176.282 175.895 0.387 1
1 389 . 21 1 1 A 30 30 GLU CA C 60 57.063 57.702 -0.639 1
1 390 . 21 1 1 A 30 30 GLU CB C 60 33.512 32.836 0.676 1
1 392 . 21 1 1 A 30 30 GLU N N 60 125.247 123.690 1.557 1
1 393 . 21 1 1 A 31 31 LYS H H 61 7.998 7.669 0.329 1
1 394 . 21 1 1 A 31 31 LYS HA H 61 5.074 4.637 0.437 1
1 403 . 21 1 1 A 31 31 LYS C C 61 172.325 174.456 -2.131 1
1 404 . 21 1 1 A 31 31 LYS CA C 61 54.881 55.006 -0.125 1
1 405 . 21 1 1 A 31 31 LYS CB C 61 35.683 34.833 0.850 1
1 409 . 21 1 1 A 31 31 LYS N N 61 113.709 115.756 -2.047 1
1 410 . 21 1 1 A 32 32 MET H H 62 9.051 8.914 0.137 1
1 411 . 21 1 1 A 32 32 MET HA H 62 5.630 5.455 0.175 1
1 419 . 21 1 1 A 32 32 MET C C 62 172.898 173.879 -0.981 1
1 420 . 21 1 1 A 32 32 MET CA C 62 53.043 53.204 -0.161 1
1 421 . 21 1 1 A 32 32 MET CB C 62 35.214 35.868 -0.654 1
1 424 . 21 1 1 A 32 32 MET N N 62 118.635 116.551 2.084 1
1 425 . 21 1 1 A 33 33 VAL H H 63 9.186 8.754 0.432 1
1 426 . 21 1 1 A 33 33 VAL HA H 63 4.700 4.987 -0.287 1
1 434 . 21 1 1 A 33 33 VAL C C 63 174.133 174.836 -0.703 1
1 435 . 21 1 1 A 33 33 VAL CA C 63 61.351 60.539 0.812 1
1 436 . 21 1 1 A 33 33 VAL CB C 63 34.651 35.987 -1.336 1
1 439 . 21 1 1 A 33 33 VAL N N 63 122.441 119.046 3.395 1
1 440 . 21 1 1 A 34 34 ILE H H 64 9.244 9.078 0.166 1
1 441 . 21 1 1 A 34 34 ILE HA H 64 4.302 4.981 -0.679 1
1 451 . 21 1 1 A 34 34 ILE C C 64 174.924 175.013 -0.089 1
1 452 . 21 1 1 A 34 34 ILE CA C 64 60.422 59.811 0.611 1
1 453 . 21 1 1 A 34 34 ILE CB C 64 41.255 41.099 0.156 1
1 457 . 21 1 1 A 34 34 ILE N N 64 127.876 126.833 1.043 1
1 458 . 21 1 1 A 35 35 LEU H H 65 9.117 9.216 -0.099 1
1 459 . 21 1 1 A 35 35 LEU HA H 65 5.531 5.491 0.040 1
1 469 . 21 1 1 A 35 35 LEU C C 65 178.538 176.857 1.681 1
1 470 . 21 1 1 A 35 35 LEU CA C 65 53.047 53.225 -0.178 1
1 471 . 21 1 1 A 35 35 LEU CB C 65 43.797 43.800 -0.003 1
1 475 . 21 1 1 A 35 35 LEU N N 65 125.572 126.123 -0.551 1
1 476 . 21 1 1 A 36 36 THR H H 66 8.634 8.647 -0.013 1
1 477 . 21 1 1 A 36 36 THR HA H 66 5.212 5.141 0.071 1
1 482 . 21 1 1 A 36 36 THR C C 66 174.918 174.756 0.162 1
1 483 . 21 1 1 A 36 36 THR CA C 66 59.374 60.300 -0.926 1
1 484 . 21 1 1 A 36 36 THR CB C 66 72.100 71.549 0.551 1
1 486 . 21 1 1 A 36 36 THR N N 66 112.840 115.964 -3.124 1
1 487 . 21 1 1 A 37 37 GLU H H 67 8.580 8.681 -0.101 1
1 488 . 21 1 1 A 37 37 GLU HA H 67 4.469 4.109 0.360 1
1 493 . 21 1 1 A 37 37 GLU C C 67 177.333 176.722 0.611 1
1 494 . 21 1 1 A 37 37 GLU CA C 67 57.348 56.221 1.127 1
1 495 . 21 1 1 A 37 37 GLU CB C 67 31.357 30.479 0.878 1
1 497 . 21 1 1 A 37 37 GLU N N 67 118.675 121.459 -2.784 1
1 498 . 21 1 1 A 38 38 ASN H H 68 8.580 8.894 -0.314 1
1 499 . 21 1 1 A 38 38 ASN HA H 68 3.768 3.190 0.578 1
1 504 . 21 1 1 A 38 38 ASN C C 68 172.921 174.247 -1.326 1
1 505 . 21 1 1 A 38 38 ASN CA C 68 54.686 54.019 0.667 1
1 506 . 21 1 1 A 38 38 ASN CB C 68 36.511 36.858 -0.347 1
1 508 . 21 1 1 A 38 38 ASN N N 68 114.341 116.579 -2.238 1
1 510 . 21 1 1 A 39 39 LYS H H 69 7.891 8.314 -0.423 1
1 511 . 21 1 1 A 39 39 LYS HA H 69 3.936 3.796 0.140 1
1 520 . 21 1 1 A 39 39 LYS C C 69 177.032 176.226 0.806 1
1 521 . 21 1 1 A 39 39 LYS CA C 69 56.758 57.402 -0.644 1
1 522 . 21 1 1 A 39 39 LYS CB C 69 28.099 29.622 -1.523 1
1 526 . 21 1 1 A 39 39 LYS N N 69 107.932 109.572 -1.640 1
1 527 . 21 1 1 A 40 40 GLY H H 70 6.998 7.656 -0.658 1
1 528 . 21 1 1 A 40 40 GLY HA2 H 70 4.362 3.855 0.507 1
1 529 . 21 1 1 A 40 40 GLY HA3 H 70 3.875 3.967 -0.092 1
1 530 . 21 1 1 A 40 40 GLY C C 70 173.763 171.977 1.786 1
1 531 . 21 1 1 A 40 40 GLY CA C 70 46.628 45.662 0.966 1
1 532 . 21 1 1 A 40 40 GLY N N 70 107.011 107.537 -0.526 1
1 533 . 21 1 1 A 41 41 TYR H H 71 7.679 8.448 -0.769 1
1 534 . 21 1 1 A 41 41 TYR HA H 71 5.097 5.328 -0.231 1
1 541 . 21 1 1 A 41 41 TYR C C 71 174.452 172.917 1.535 1
1 542 . 21 1 1 A 41 41 TYR CA C 71 57.730 56.220 1.510 1
1 543 . 21 1 1 A 41 41 TYR CB C 71 40.474 41.847 -1.373 1
1 546 . 21 1 1 A 41 41 TYR N N 71 129.822 123.712 6.110 1
1 547 . 21 1 1 A 42 42 TYR H H 72 9.101 8.302 0.799 1
1 548 . 21 1 1 A 42 42 TYR HA H 72 4.875 4.909 -0.034 1
1 555 . 21 1 1 A 42 42 TYR C C 72 174.448 174.331 0.117 1
1 556 . 21 1 1 A 42 42 TYR CA C 72 56.114 56.424 -0.310 1
1 557 . 21 1 1 A 42 42 TYR CB C 72 41.115 42.811 -1.696 1
1 560 . 21 1 1 A 42 42 TYR N N 72 126.527 125.626 0.901 1
1 561 . 21 1 1 A 43 43 THR H H 73 9.022 8.701 0.321 1
1 562 . 21 1 1 A 43 43 THR HA H 73 4.876 5.178 -0.302 1
1 567 . 21 1 1 A 43 43 THR C C 73 174.791 172.247 2.544 1
1 568 . 21 1 1 A 43 43 THR CA C 73 62.821 59.807 3.014 1
1 569 . 21 1 1 A 43 43 THR CB C 73 68.769 71.593 -2.824 1
1 571 . 21 1 1 A 43 43 THR N N 73 120.810 115.543 5.267 1
1 572 . 21 1 1 A 44 44 VAL H H 74 9.233 8.677 0.556 1
1 573 . 21 1 1 A 44 44 VAL HA H 74 4.427 4.748 -0.321 1
1 581 . 21 1 1 A 44 44 VAL C C 74 175.094 174.848 0.246 1
1 582 . 21 1 1 A 44 44 VAL CA C 74 61.457 60.904 0.553 1
1 583 . 21 1 1 A 44 44 VAL CB C 74 35.669 35.940 -0.271 1
1 586 . 21 1 1 A 44 44 VAL N N 74 129.156 126.279 2.877 1
1 587 . 21 1 1 A 45 45 TYR H H 75 9.384 8.960 0.424 1
1 588 . 21 1 1 A 45 45 TYR HA H 75 4.528 4.708 -0.180 1
1 595 . 21 1 1 A 45 45 TYR C C 75 176.497 175.895 0.602 1
1 596 . 21 1 1 A 45 45 TYR CA C 75 59.843 58.678 1.165 1
1 597 . 21 1 1 A 45 45 TYR CB C 75 38.245 39.294 -1.049 1
1 600 . 21 1 1 A 45 45 TYR N N 75 128.465 126.576 1.889 1
1 601 . 21 1 1 A 46 46 LEU H H 76 8.524 9.148 -0.624 1
1 602 . 21 1 1 A 46 46 LEU HA H 76 4.528 4.665 -0.137 1
1 612 . 21 1 1 A 46 46 LEU C C 76 177.001 178.455 -1.454 1
1 613 . 21 1 1 A 46 46 LEU CA C 76 55.010 54.607 0.403 1
1 614 . 21 1 1 A 46 46 LEU CB C 76 42.094 42.932 -0.838 1
1 618 . 21 1 1 A 46 46 LEU N N 76 119.547 123.941 -4.394 1
1 619 . 21 1 1 A 47 47 ASN H H 77 8.599 8.104 0.495 1
1 620 . 21 1 1 A 47 47 ASN HA H 77 4.618 4.676 -0.058 1
1 625 . 21 1 1 A 47 47 ASN C C 77 173.844 175.300 -1.456 1
1 626 . 21 1 1 A 47 47 ASN CA C 77 54.045 55.583 -1.538 1
1 627 . 21 1 1 A 47 47 ASN CB C 77 37.058 38.601 -1.543 1
1 629 . 21 1 1 A 47 47 ASN N N 77 116.407 115.959 0.448 1
1 631 . 21 1 1 A 48 48 THR H H 78 7.429 7.625 -0.196 1
1 632 . 21 1 1 A 48 48 THR HA H 78 4.803 5.086 -0.283 1
1 637 . 21 1 1 A 48 48 THR C C 78 175.201 171.718 3.483 1
1 638 . 21 1 1 A 48 48 THR CA C 78 58.577 58.812 -0.235 1
1 639 . 21 1 1 A 48 48 THR CB C 78 70.494 70.686 -0.192 1
1 641 . 21 1 1 A 48 48 THR N N 78 111.551 109.663 1.888 1
1 642 . 21 1 1 A 49 49 PRO HA H 79 4.462 4.583 -0.121 1
1 649 . 21 1 1 A 49 49 PRO C C 79 176.670 176.943 -0.273 1
1 650 . 21 1 1 A 49 49 PRO CA C 79 62.384 62.668 -0.284 1
1 651 . 21 1 1 A 49 49 PRO CB C 79 32.205 32.074 0.131 1
1 654 . 21 1 1 A 50 50 LEU H H 80 9.049 8.310 0.739 1
1 655 . 21 1 1 A 50 50 LEU HA H 80 4.081 4.342 -0.261 1
1 665 . 21 1 1 A 50 50 LEU C C 80 176.758 176.639 0.119 1
1 666 . 21 1 1 A 50 50 LEU CA C 80 55.315 54.122 1.193 1
1 667 . 21 1 1 A 50 50 LEU CB C 80 41.915 42.979 -1.064 1
1 671 . 21 1 1 A 50 50 LEU N N 80 126.341 119.187 7.154 1
1 672 . 21 1 1 A 51 51 ALA H H 81 8.415 8.866 -0.451 1
1 673 . 21 1 1 A 51 51 ALA HA H 81 4.187 4.429 -0.242 1
1 677 . 21 1 1 A 51 51 ALA C C 81 179.005 178.738 0.267 1
1 678 . 21 1 1 A 51 51 ALA CA C 81 52.851 52.034 0.817 1
1 679 . 21 1 1 A 51 51 ALA CB C 81 19.625 19.611 0.014 1
1 680 . 21 1 1 A 51 51 ALA N N 81 129.745 123.261 6.484 1
1 681 . 21 1 1 A 52 52 GLU H H 82 8.739 9.021 -0.282 1
1 682 . 21 1 1 A 52 52 GLU HA H 82 3.815 4.101 -0.286 1
1 687 . 21 1 1 A 52 52 GLU C C 82 178.591 178.070 0.521 1
1 688 . 21 1 1 A 52 52 GLU CA C 82 59.566 59.195 0.371 1
1 689 . 21 1 1 A 52 52 GLU CB C 82 29.774 29.120 0.654 1
1 691 . 21 1 1 A 52 52 GLU N N 82 121.424 120.533 0.891 1
1 692 . 21 1 1 A 53 53 ASP H H 83 8.511 7.911 0.600 1
1 693 . 21 1 1 A 53 53 ASP HA H 83 4.427 4.489 -0.062 1
1 696 . 21 1 1 A 53 53 ASP C C 83 177.306 178.913 -1.607 1
1 697 . 21 1 1 A 53 53 ASP CA C 83 55.398 56.227 -0.829 1
1 698 . 21 1 1 A 53 53 ASP CB C 83 39.430 40.547 -1.117 1
1 699 . 21 1 1 A 53 53 ASP N N 83 114.043 119.663 -5.620 1
1 700 . 21 1 1 A 54 54 ARG H H 84 7.800 7.649 0.151 1
1 701 . 21 1 1 A 54 54 ARG HA H 84 4.527 4.140 0.387 1
1 710 . 21 1 1 A 54 54 ARG C C 84 176.966 178.725 -1.759 1
1 711 . 21 1 1 A 54 54 ARG CA C 84 55.915 58.869 -2.954 1
1 712 . 21 1 1 A 54 54 ARG CB C 84 31.804 30.108 1.696 1
1 715 . 21 1 1 A 54 54 ARG N N 84 118.147 119.686 -1.539 1
1 718 . 21 1 1 A 55 55 LYS H H 85 7.335 7.747 -0.412 1
1 719 . 21 1 1 A 55 55 LYS HA H 85 3.551 4.133 -0.582 1
1 728 . 21 1 1 A 55 55 LYS C C 85 178.113 178.254 -0.141 1
1 729 . 21 1 1 A 55 55 LYS CA C 85 59.887 58.530 1.357 1
1 730 . 21 1 1 A 55 55 LYS CB C 85 32.935 32.123 0.812 1
1 734 . 21 1 1 A 55 55 LYS N N 85 116.576 118.917 -2.341 1
1 735 . 21 1 1 A 56 56 ASN H H 86 8.347 7.952 0.395 1
1 736 . 21 1 1 A 56 56 ASN HA H 86 4.886 4.870 0.016 1
1 741 . 21 1 1 A 56 56 ASN C C 86 174.736 175.177 -0.441 1
1 742 . 21 1 1 A 56 56 ASN CA C 86 52.265 52.619 -0.354 1
1 743 . 21 1 1 A 56 56 ASN CB C 86 38.239 39.647 -1.408 1
1 745 . 21 1 1 A 56 56 ASN N N 86 114.341 113.592 0.749 1
1 747 . 21 1 1 A 57 57 VAL H H 87 6.985 7.043 -0.058 1
1 748 . 21 1 1 A 57 57 VAL HA H 87 3.746 4.012 -0.266 1
1 756 . 21 1 1 A 57 57 VAL C C 87 175.380 176.161 -0.781 1
1 757 . 21 1 1 A 57 57 VAL CA C 87 63.723 62.615 1.108 1
1 758 . 21 1 1 A 57 57 VAL CB C 87 32.650 32.640 0.010 1
1 761 . 21 1 1 A 57 57 VAL N N 87 121.424 121.513 -0.089 1
1 762 . 21 1 1 A 58 58 GLU H H 88 8.777 8.562 0.215 1
1 763 . 21 1 1 A 58 58 GLU HA H 88 4.339 4.662 -0.323 1
1 768 . 21 1 1 A 58 58 GLU C C 88 176.364 176.542 -0.178 1
1 769 . 21 1 1 A 58 58 GLU CA C 88 56.085 56.532 -0.447 1
1 770 . 21 1 1 A 58 58 GLU CB C 88 29.861 30.192 -0.331 1
1 772 . 21 1 1 A 58 58 GLU N N 88 129.489 128.063 1.426 1
1 773 . 21 1 1 A 59 59 LEU H H 89 8.230 8.832 -0.602 1
1 774 . 21 1 1 A 59 59 LEU HA H 89 4.299 4.224 0.075 1
1 784 . 21 1 1 A 59 59 LEU C C 89 178.976 177.907 1.069 1
1 785 . 21 1 1 A 59 59 LEU CA C 89 54.651 55.037 -0.386 1
1 786 . 21 1 1 A 59 59 LEU CB C 89 42.596 41.746 0.850 1
1 790 . 21 1 1 A 59 59 LEU N N 89 124.395 126.400 -2.005 1
1 791 . 21 1 1 A 60 60 LEU H H 90 7.777 9.330 -1.553 1
1 792 . 21 1 1 A 60 60 LEU HA H 90 4.135 4.184 -0.049 1
1 802 . 21 1 1 A 60 60 LEU C C 90 176.394 176.819 -0.425 1
1 803 . 21 1 1 A 60 60 LEU CA C 90 56.754 56.943 -0.189 1
1 804 . 21 1 1 A 60 60 LEU CB C 90 42.413 42.535 -0.122 1
1 808 . 21 1 1 A 60 60 LEU N N 90 119.734 125.242 -5.508 1
1 809 . 21 1 1 A 61 61 GLY H H 91 7.224 7.481 -0.257 1
1 810 . 21 1 1 A 61 61 GLY HA2 H 91 4.165 4.048 0.117 1
1 811 . 21 1 1 A 61 61 GLY HA3 H 91 3.899 4.055 -0.156 1
1 812 . 21 1 1 A 61 61 GLY C C 91 171.742 172.441 -0.699 1
1 813 . 21 1 1 A 61 61 GLY CA C 91 44.969 45.600 -0.631 1
1 814 . 21 1 1 A 61 61 GLY N N 91 103.707 104.442 -0.735 1
1 815 . 21 1 1 A 62 62 LYS H H 92 8.771 8.429 0.342 1
1 816 . 21 1 1 A 62 62 LYS HA H 92 4.150 4.376 -0.226 1
1 825 . 21 1 1 A 62 62 LYS C C 92 177.522 176.083 1.439 1
1 826 . 21 1 1 A 62 62 LYS CA C 92 56.750 56.181 0.569 1
1 827 . 21 1 1 A 62 62 LYS CB C 92 33.835 33.279 0.556 1
1 831 . 21 1 1 A 62 62 LYS N N 92 118.635 120.851 -2.216 1
1 832 . 21 1 1 A 63 63 MET H H 93 9.188 8.377 0.811 1
1 833 . 21 1 1 A 63 63 MET HA H 93 3.835 4.501 -0.666 1
1 841 . 21 1 1 A 63 63 MET C C 93 173.913 175.746 -1.833 1
1 842 . 21 1 1 A 63 63 MET CA C 93 59.275 53.960 5.315 1
1 843 . 21 1 1 A 63 63 MET CB C 93 31.483 31.131 0.352 1
1 846 . 21 1 1 A 63 63 MET N N 93 123.413 124.651 -1.238 1
1 847 . 21 1 1 A 64 64 TYR H H 94 9.421 8.452 0.969 1
1 848 . 21 1 1 A 64 64 TYR HA H 94 4.767 4.158 0.609 1
1 855 . 21 1 1 A 64 64 TYR C C 94 173.918 175.026 -1.108 1
1 856 . 21 1 1 A 64 64 TYR CA C 94 56.933 61.491 -4.558 1
1 857 . 21 1 1 A 64 64 TYR CB C 94 40.020 38.996 1.024 1
1 860 . 21 1 1 A 64 64 TYR N N 94 129.403 126.023 3.380 1
1 861 . 21 1 1 A 65 65 LYS H H 95 7.289 7.385 -0.096 1
1 862 . 21 1 1 A 65 65 LYS HA H 95 4.688 4.613 0.075 1
1 871 . 21 1 1 A 65 65 LYS C C 95 175.000 174.060 0.940 1
1 872 . 21 1 1 A 65 65 LYS CA C 95 55.841 55.453 0.388 1
1 873 . 21 1 1 A 65 65 LYS CB C 95 40.404 35.741 4.663 1
1 877 . 21 1 1 A 65 65 LYS N N 95 118.804 118.090 0.714 1
1 878 . 21 1 1 A 66 66 THR H H 96 8.727 7.874 0.853 1
1 879 . 21 1 1 A 66 66 THR HA H 96 5.149 5.189 -0.040 1
1 885 . 21 1 1 A 66 66 THR C C 96 172.120 172.315 -0.195 1
1 886 . 21 1 1 A 66 66 THR CA C 96 62.226 60.280 1.946 1
1 887 . 21 1 1 A 66 66 THR CB C 96 71.787 71.798 -0.011 1
1 889 . 21 1 1 A 66 66 THR N N 96 116.235 117.743 -1.508 1
1 890 . 21 1 1 A 67 67 TYR H H 97 8.969 8.959 0.010 1
1 891 . 21 1 1 A 67 67 TYR HA H 97 5.027 4.993 0.034 1
1 898 . 21 1 1 A 67 67 TYR C C 97 175.077 174.510 0.567 1
1 899 . 21 1 1 A 67 67 TYR CA C 97 57.278 56.495 0.783 1
1 900 . 21 1 1 A 67 67 TYR CB C 97 42.054 42.612 -0.558 1
1 903 . 21 1 1 A 67 67 TYR N N 97 125.256 123.263 1.993 1
1 904 . 21 1 1 A 68 68 PHE H H 98 9.189 8.987 0.202 1
1 905 . 21 1 1 A 68 68 PHE HA H 98 5.177 5.115 0.062 1
1 913 . 21 1 1 A 68 68 PHE C C 98 174.791 174.496 0.295 1
1 914 . 21 1 1 A 68 68 PHE CA C 98 57.825 56.471 1.354 1
1 915 . 21 1 1 A 68 68 PHE CB C 98 42.377 43.233 -0.856 1
1 919 . 21 1 1 A 68 68 PHE N N 98 118.574 120.345 -1.771 1
1 920 . 21 1 1 A 69 69 PHE H H 99 8.976 9.281 -0.305 1
1 921 . 21 1 1 A 69 69 PHE HA H 99 4.893 5.266 -0.373 1
1 929 . 21 1 1 A 69 69 PHE C C 99 176.386 175.429 0.957 1
1 930 . 21 1 1 A 69 69 PHE CA C 99 56.777 56.289 0.488 1
1 931 . 21 1 1 A 69 69 PHE CB C 99 41.371 42.717 -1.346 1
1 935 . 21 1 1 A 69 69 PHE N N 99 119.573 120.105 -0.532 1
1 936 . 21 1 1 A 70 70 LYS H H 100 9.479 8.810 0.669 1
1 937 . 21 1 1 A 70 70 LYS HA H 100 4.533 4.371 0.162 1
1 946 . 21 1 1 A 70 70 LYS C C 100 176.156 177.813 -1.657 1
1 947 . 21 1 1 A 70 70 LYS CA C 100 56.706 55.950 0.756 1
1 948 . 21 1 1 A 70 70 LYS CB C 100 33.667 33.112 0.555 1
1 952 . 21 1 1 A 70 70 LYS N N 100 125.614 123.463 2.151 1
1 953 . 21 1 1 A 71 71 LYS H H 101 8.068 8.495 -0.427 1
1 954 . 21 1 1 A 71 71 LYS HA H 101 4.188 4.401 -0.213 1
1 963 . 21 1 1 A 71 71 LYS C C 101 177.655 176.430 1.225 1
1 964 . 21 1 1 A 71 71 LYS CA C 101 58.238 56.048 2.190 1
1 965 . 21 1 1 A 71 71 LYS CB C 101 32.342 31.101 1.241 1
1 969 . 21 1 1 A 71 71 LYS N N 101 121.057 121.182 -0.125 1
1 970 . 21 1 1 A 72 72 GLY H H 102 8.899 7.950 0.949 1
1 971 . 21 1 1 A 72 72 GLY HA2 H 102 4.196 4.080 0.116 1
1 972 . 21 1 1 A 72 72 GLY HA3 H 102 3.815 4.094 -0.279 1
1 973 . 21 1 1 A 72 72 GLY C C 102 173.997 173.429 0.568 1
1 974 . 21 1 1 A 72 72 GLY CA C 102 45.802 45.287 0.515 1
1 975 . 21 1 1 A 72 72 GLY N N 102 114.112 106.940 7.172 1
1 976 . 21 1 1 A 73 73 GLU H H 103 8.047 7.630 0.417 1
1 977 . 21 1 1 A 73 73 GLU HA H 103 4.764 4.969 -0.205 1
1 982 . 21 1 1 A 73 73 GLU C C 103 175.975 175.055 0.920 1
1 983 . 21 1 1 A 73 73 GLU CA C 103 56.295 54.676 1.619 1
1 984 . 21 1 1 A 73 73 GLU CB C 103 31.153 33.888 -2.735 1
1 986 . 21 1 1 A 73 73 GLU N N 103 119.538 120.480 -0.942 1
1 987 . 21 1 1 A 74 74 SER H H 104 8.742 8.651 0.091 1
1 988 . 21 1 1 A 74 74 SER HA H 104 4.598 4.863 -0.265 1
1 991 . 21 1 1 A 74 74 SER C C 104 171.916 173.877 -1.961 1
1 992 . 21 1 1 A 74 74 SER CA C 104 58.363 57.222 1.141 1
1 993 . 21 1 1 A 74 74 SER CB C 104 64.025 64.647 -0.622 1
1 994 . 21 1 1 A 74 74 SER N N 104 115.383 114.153 1.230 1
1 995 . 21 1 1 A 75 75 LYS H H 105 7.608 7.524 0.084 1
1 996 . 21 1 1 A 75 75 LYS HA H 105 5.588 5.140 0.448 1
1 1005 . 21 1 1 A 75 75 LYS C C 105 176.017 175.250 0.767 1
1 1006 . 21 1 1 A 75 75 LYS CA C 105 54.548 54.906 -0.358 1
1 1007 . 21 1 1 A 75 75 LYS CB C 105 35.211 35.849 -0.638 1
1 1011 . 21 1 1 A 75 75 LYS N N 105 121.040 123.383 -2.343 1
1 1012 . 21 1 1 A 76 76 SER H H 106 8.231 9.007 -0.776 1
1 1013 . 21 1 1 A 76 76 SER HA H 106 3.377 4.212 -0.835 1
1 1016 . 21 1 1 A 76 76 SER C C 106 172.571 175.677 -3.106 1
1 1017 . 21 1 1 A 76 76 SER CA C 106 59.650 58.420 1.230 1
1 1018 . 21 1 1 A 76 76 SER CB C 106 64.857 62.840 2.017 1
1 1019 . 21 1 1 A 76 76 SER N N 106 121.783 119.854 1.929 1
1 1020 . 21 1 1 A 77 77 SER H H 107 8.333 8.885 -0.552 1
1 1021 . 21 1 1 A 77 77 SER HA H 107 5.025 4.368 0.657 1
1 1024 . 21 1 1 A 77 77 SER C C 107 174.507 173.799 0.708 1
1 1025 . 21 1 1 A 77 77 SER CA C 107 57.561 60.314 -2.753 1
1 1026 . 21 1 1 A 77 77 SER CB C 107 65.330 63.505 1.825 1
1 1027 . 21 1 1 A 77 77 SER N N 107 106.276 117.708 -11.432 1
1 1028 . 21 1 1 A 78 78 TYR H H 108 7.825 7.534 0.291 1
1 1029 . 21 1 1 A 78 78 TYR HA H 108 4.754 4.864 -0.110 1
1 1036 . 21 1 1 A 78 78 TYR C C 108 171.725 173.762 -2.037 1
1 1037 . 21 1 1 A 78 78 TYR CA C 108 57.778 56.862 0.916 1
1 1038 . 21 1 1 A 78 78 TYR CB C 108 43.223 41.840 1.383 1
1 1041 . 21 1 1 A 78 78 TYR N N 108 126.289 121.122 5.167 1
1 1042 . 21 1 1 A 79 79 VAL H H 109 7.760 8.385 -0.625 1
1 1043 . 21 1 1 A 79 79 VAL HA H 109 5.215 4.934 0.281 1
1 1051 . 21 1 1 A 79 79 VAL C C 109 172.526 174.273 -1.747 1
1 1052 . 21 1 1 A 79 79 VAL CA C 109 59.193 59.387 -0.194 1
1 1053 . 21 1 1 A 79 79 VAL CB C 109 36.173 35.989 0.184 1
1 1056 . 21 1 1 A 79 79 VAL N N 109 127.825 120.975 6.850 1
1 1057 . 21 1 1 A 80 80 ILE H H 110 8.616 8.294 0.322 1
1 1058 . 21 1 1 A 80 80 ILE HA H 110 4.011 4.517 -0.506 1
1 1068 . 21 1 1 A 80 80 ILE C C 110 174.690 174.309 0.381 1
1 1069 . 21 1 1 A 80 80 ILE CA C 110 60.922 60.247 0.675 1
1 1070 . 21 1 1 A 80 80 ILE CB C 110 42.047 41.527 0.520 1
1 1074 . 21 1 1 A 80 80 ILE N N 110 124.001 121.428 2.573 1
1 1075 . 21 1 1 A 81 81 ASN H H 111 8.937 8.415 0.522 1
1 1076 . 21 1 1 A 81 81 ASN HA H 111 4.760 5.287 -0.527 1
1 1081 . 21 1 1 A 81 81 ASN C C 111 175.326 175.466 -0.140 1
1 1082 . 21 1 1 A 81 81 ASN CA C 111 53.600 51.918 1.682 1
1 1083 . 21 1 1 A 81 81 ASN CB C 111 40.412 40.774 -0.362 1
1 1085 . 21 1 1 A 81 81 ASN N N 111 126.229 124.807 1.422 1
1 1087 . 21 1 1 A 82 82 GLY H H 112 7.984 8.559 -0.575 1
1 1088 . 21 1 1 A 82 82 GLY HA2 H 112 4.457 4.236 0.221 1
1 1089 . 21 1 1 A 82 82 GLY HA3 H 112 3.847 4.269 -0.422 1
1 1090 . 21 1 1 A 82 82 GLY C C 112 171.875 171.383 0.492 1
1 1091 . 21 1 1 A 82 82 GLY CA C 112 43.303 45.254 -1.951 1
1 1092 . 21 1 1 A 82 82 GLY N N 112 110.894 109.143 1.751 1
1 1093 . 21 1 1 A 83 83 PRO HA H 113 4.609 4.392 0.217 1
1 1100 . 21 1 1 A 83 83 PRO C C 113 178.327 177.664 0.663 1
1 1101 . 21 1 1 A 83 83 PRO CA C 113 63.342 63.535 -0.193 1
1 1102 . 21 1 1 A 83 83 PRO CB C 113 32.232 31.575 0.657 1
1 1105 . 21 1 1 A 84 84 GLY H H 114 8.939 8.695 0.244 1
1 1106 . 21 1 1 A 84 84 GLY HA2 H 114 4.055 3.977 0.078 1
1 1107 . 21 1 1 A 84 84 GLY HA3 H 114 3.192 4.028 -0.836 1
1 1108 . 21 1 1 A 84 84 GLY C C 114 172.587 175.003 -2.416 1
1 1109 . 21 1 1 A 84 84 GLY CA C 114 44.667 45.436 -0.769 1
1 1110 . 21 1 1 A 84 84 GLY N N 114 109.324 111.585 -2.261 1
1 1111 . 21 1 1 A 85 85 LYS H H 115 9.550 8.286 1.264 1
1 1112 . 21 1 1 A 85 85 LYS HA H 115 4.527 3.977 0.550 1
1 1121 . 21 1 1 A 85 85 LYS C C 115 175.690 174.539 1.151 1
1 1122 . 21 1 1 A 85 85 LYS CA C 115 56.251 57.502 -1.251 1
1 1123 . 21 1 1 A 85 85 LYS CB C 115 34.217 32.203 2.014 1
1 1127 . 21 1 1 A 85 85 LYS N N 115 119.240 119.923 -0.683 1
1 1128 . 21 1 1 A 86 86 THR H H 116 7.327 7.225 0.102 1
1 1129 . 21 1 1 A 86 86 THR HA H 116 3.572 3.701 -0.129 1
1 1134 . 21 1 1 A 86 86 THR C C 116 170.519 172.765 -2.246 1
1 1135 . 21 1 1 A 86 86 THR CA C 116 59.094 60.024 -0.930 1
1 1136 . 21 1 1 A 86 86 THR CB C 116 68.191 69.622 -1.431 1
1 1138 . 21 1 1 A 86 86 THR N N 116 113.403 111.423 1.980 1
1 1139 . 21 1 1 A 87 87 ASN H H 117 8.035 8.571 -0.536 1
1 1140 . 21 1 1 A 87 87 ASN HA H 117 4.914 4.804 0.110 1
1 1145 . 21 1 1 A 87 87 ASN C C 117 175.798 175.988 -0.190 1
1 1146 . 21 1 1 A 87 87 ASN CA C 117 52.062 55.404 -3.342 1
1 1147 . 21 1 1 A 87 87 ASN CB C 117 40.563 39.216 1.347 1
1 1149 . 21 1 1 A 87 87 ASN N N 117 118.907 122.797 -3.890 1
1 1151 . 21 1 1 A 88 88 GLU H H 118 8.362 7.486 0.876 1
1 1152 . 21 1 1 A 88 88 GLU HA H 118 4.116 4.500 -0.384 1
1 1157 . 21 1 1 A 88 88 GLU C C 118 175.935 175.934 0.001 1
1 1158 . 21 1 1 A 88 88 GLU CA C 118 55.589 55.227 0.362 1
1 1159 . 21 1 1 A 88 88 GLU CB C 118 29.435 27.675 1.760 1
1 1161 . 21 1 1 A 88 88 GLU N N 118 119.547 117.665 1.882 1
1 1162 . 21 1 1 A 89 89 TYR H H 119 7.918 8.436 -0.518 1
1 1163 . 21 1 1 A 89 89 TYR HA H 119 4.639 4.338 0.301 1
1 1170 . 21 1 1 A 89 89 TYR C C 119 175.750 175.074 0.676 1
1 1171 . 21 1 1 A 89 89 TYR CA C 119 59.270 58.812 0.458 1
1 1172 . 21 1 1 A 89 89 TYR CB C 119 38.274 36.253 2.021 1
1 1175 . 21 1 1 A 89 89 TYR N N 119 118.293 124.510 -6.217 1
1 1176 . 21 1 1 A 90 90 ALA H H 120 8.285 8.304 -0.019 1
1 1177 . 21 1 1 A 90 90 ALA HA H 120 4.273 3.925 0.348 1
1 1181 . 21 1 1 A 90 90 ALA C C 120 175.773 175.524 0.249 1
1 1182 . 21 1 1 A 90 90 ALA CA C 120 52.014 53.321 -1.307 1
1 1183 . 21 1 1 A 90 90 ALA CB C 120 19.920 17.527 2.393 1
1 1184 . 21 1 1 A 90 90 ALA N N 120 126.212 114.543 11.669 1
1 11 . 22 1 1 A 2 2 SER HA H 32 4.469 4.694 -0.225 1
1 14 . 22 1 1 A 2 2 SER C C 32 174.865 174.290 0.575 1
1 15 . 22 1 1 A 2 2 SER CA C 32 58.680 57.515 1.165 1
1 16 . 22 1 1 A 2 2 SER CB C 32 63.805 64.368 -0.563 1
1 17 . 22 1 1 A 3 3 GLY H H 33 8.513 7.682 0.831 1
1 18 . 22 1 1 A 3 3 GLY HA2 H 33 3.972 4.061 -0.089 1
1 19 . 22 1 1 A 3 3 GLY HA3 H 33 3.972 4.063 -0.091 1
1 20 . 22 1 1 A 3 3 GLY C C 33 173.735 172.866 0.869 1
1 21 . 22 1 1 A 3 3 GLY CA C 33 45.132 44.313 0.819 1
1 22 . 22 1 1 A 3 3 GLY N N 33 110.526 109.528 0.998 1
1 23 . 22 1 1 A 4 4 LEU H H 34 8.145 8.378 -0.233 1
1 24 . 22 1 1 A 4 4 LEU HA H 34 4.599 4.940 -0.341 1
1 34 . 22 1 1 A 4 4 LEU C C 34 175.201 175.155 0.046 1
1 35 . 22 1 1 A 4 4 LEU CA C 34 53.002 51.688 1.314 1
1 36 . 22 1 1 A 4 4 LEU CB C 34 41.772 45.690 -3.918 1
1 40 . 22 1 1 A 4 4 LEU N N 34 122.423 119.863 2.560 1
1 41 . 22 1 1 A 5 5 PRO HA H 35 4.551 4.820 -0.269 1
1 48 . 22 1 1 A 5 5 PRO C C 35 176.487 176.543 -0.056 1
1 49 . 22 1 1 A 5 5 PRO CA C 35 62.771 62.531 0.240 1
1 50 . 22 1 1 A 5 5 PRO CB C 35 32.488 33.635 -1.147 1
1 53 . 22 1 1 A 6 6 THR H H 36 8.447 8.400 0.047 1
1 54 . 22 1 1 A 6 6 THR HA H 36 4.445 4.671 -0.226 1
1 59 . 22 1 1 A 6 6 THR C C 36 174.231 173.444 0.787 1
1 60 . 22 1 1 A 6 6 THR CA C 36 61.727 61.291 0.436 1
1 61 . 22 1 1 A 6 6 THR CB C 36 69.213 70.669 -1.456 1
1 63 . 22 1 1 A 6 6 THR N N 36 111.916 111.513 0.403 1
1 64 . 22 1 1 A 7 7 THR H H 37 7.303 7.400 -0.097 1
1 65 . 22 1 1 A 7 7 THR HA H 37 5.232 4.965 0.267 1
1 70 . 22 1 1 A 7 7 THR C C 37 175.848 174.877 0.971 1
1 71 . 22 1 1 A 7 7 THR CA C 37 58.599 59.084 -0.485 1
1 72 . 22 1 1 A 7 7 THR CB C 37 71.971 72.546 -0.575 1
1 74 . 22 1 1 A 7 7 THR N N 37 110.288 111.904 -1.616 1
1 75 . 22 1 1 A 8 8 LEU H H 38 9.065 8.855 0.210 1
1 76 . 22 1 1 A 8 8 LEU HA H 38 3.829 3.976 -0.147 1
1 86 . 22 1 1 A 8 8 LEU C C 38 177.964 178.803 -0.839 1
1 87 . 22 1 1 A 8 8 LEU CA C 38 57.613 57.884 -0.271 1
1 88 . 22 1 1 A 8 8 LEU CB C 38 41.058 41.529 -0.471 1
1 92 . 22 1 1 A 8 8 LEU N N 38 122.441 123.493 -1.052 1
1 93 . 22 1 1 A 9 9 GLY H H 39 8.753 8.332 0.421 1
1 94 . 22 1 1 A 9 9 GLY HA2 H 39 3.969 3.800 0.169 1
1 95 . 22 1 1 A 9 9 GLY HA3 H 39 3.769 3.804 -0.035 1
1 96 . 22 1 1 A 9 9 GLY C C 39 176.615 176.164 0.451 1
1 97 . 22 1 1 A 9 9 GLY CA C 39 47.314 47.113 0.201 1
1 98 . 22 1 1 A 9 9 GLY N N 39 104.356 107.369 -3.013 1
1 99 . 22 1 1 A 10 10 LYS H H 40 7.341 7.652 -0.311 1
1 100 . 22 1 1 A 10 10 LYS HA H 40 4.241 4.055 0.186 1
1 109 . 22 1 1 A 10 10 LYS C C 40 179.292 179.267 0.025 1
1 110 . 22 1 1 A 10 10 LYS CA C 40 58.108 59.260 -1.152 1
1 111 . 22 1 1 A 10 10 LYS CB C 40 32.346 32.196 0.150 1
1 115 . 22 1 1 A 10 10 LYS N N 40 120.741 122.478 -1.737 1
1 116 . 22 1 1 A 11 11 LEU H H 41 8.033 7.728 0.305 1
1 117 . 22 1 1 A 11 11 LEU HA H 41 4.059 4.092 -0.033 1
1 127 . 22 1 1 A 11 11 LEU C C 41 177.253 177.995 -0.742 1
1 128 . 22 1 1 A 11 11 LEU CA C 41 57.978 57.685 0.293 1
1 129 . 22 1 1 A 11 11 LEU CB C 41 41.760 41.494 0.266 1
1 133 . 22 1 1 A 11 11 LEU N N 41 121.501 121.462 0.039 1
1 134 . 22 1 1 A 12 12 ASP H H 42 9.025 8.389 0.636 1
1 135 . 22 1 1 A 12 12 ASP HA H 42 4.045 4.275 -0.230 1
1 138 . 22 1 1 A 12 12 ASP C C 42 176.536 178.680 -2.144 1
1 139 . 22 1 1 A 12 12 ASP CA C 42 58.740 58.085 0.655 1
1 140 . 22 1 1 A 12 12 ASP CB C 42 44.783 42.480 2.303 1
1 141 . 22 1 1 A 12 12 ASP N N 42 119.776 119.206 0.570 1
1 142 . 22 1 1 A 13 13 GLU H H 43 7.253 7.923 -0.670 1
1 143 . 22 1 1 A 13 13 GLU HA H 43 3.869 4.079 -0.210 1
1 148 . 22 1 1 A 13 13 GLU C C 43 178.916 178.798 0.118 1
1 149 . 22 1 1 A 13 13 GLU CA C 43 59.511 59.226 0.285 1
1 150 . 22 1 1 A 13 13 GLU CB C 43 30.131 29.229 0.902 1
1 152 . 22 1 1 A 13 13 GLU N N 43 116.304 118.956 -2.652 1
1 153 . 22 1 1 A 14 14 ARG H H 44 7.234 7.824 -0.590 1
1 154 . 22 1 1 A 14 14 ARG HA H 44 3.920 4.145 -0.225 1
1 163 . 22 1 1 A 14 14 ARG C C 44 177.609 178.971 -1.362 1
1 164 . 22 1 1 A 14 14 ARG CA C 44 58.607 58.875 -0.268 1
1 165 . 22 1 1 A 14 14 ARG CB C 44 30.304 30.120 0.184 1
1 168 . 22 1 1 A 14 14 ARG N N 44 118.267 120.643 -2.376 1
1 171 . 22 1 1 A 15 15 LEU H H 45 8.734 8.758 -0.024 1
1 172 . 22 1 1 A 15 15 LEU HA H 45 3.809 4.386 -0.577 1
1 182 . 22 1 1 A 15 15 LEU C C 45 179.204 179.508 -0.304 1
1 183 . 22 1 1 A 15 15 LEU CA C 45 58.248 57.855 0.393 1
1 184 . 22 1 1 A 15 15 LEU CB C 45 42.076 41.516 0.560 1
1 188 . 22 1 1 A 15 15 LEU N N 45 117.856 119.708 -1.852 1
1 189 . 22 1 1 A 16 16 ARG H H 46 8.280 8.530 -0.250 1
1 190 . 22 1 1 A 16 16 ARG HA H 46 3.863 4.161 -0.298 1
1 200 . 22 1 1 A 16 16 ARG C C 46 179.432 179.169 0.263 1
1 201 . 22 1 1 A 16 16 ARG CA C 46 60.779 59.594 1.185 1
1 202 . 22 1 1 A 16 16 ARG CB C 46 29.824 29.723 0.101 1
1 205 . 22 1 1 A 16 16 ARG N N 46 115.954 119.716 -3.762 1
1 209 . 22 1 1 A 17 17 ASN H H 47 7.433 7.958 -0.525 1
1 210 . 22 1 1 A 17 17 ASN HA H 47 4.458 4.447 0.011 1
1 215 . 22 1 1 A 17 17 ASN C C 47 177.657 177.681 -0.024 1
1 216 . 22 1 1 A 17 17 ASN CA C 47 56.297 56.499 -0.202 1
1 217 . 22 1 1 A 17 17 ASN CB C 47 38.540 39.166 -0.626 1
1 219 . 22 1 1 A 17 17 ASN N N 47 118.514 118.221 0.293 1
1 221 . 22 1 1 A 18 18 TYR H H 48 8.945 8.409 0.536 1
1 222 . 22 1 1 A 18 18 TYR HA H 48 4.184 4.347 -0.163 1
1 229 . 22 1 1 A 18 18 TYR C C 48 177.806 178.342 -0.536 1
1 230 . 22 1 1 A 18 18 TYR CA C 48 58.651 60.724 -2.073 1
1 231 . 22 1 1 A 18 18 TYR CB C 48 36.527 37.579 -1.052 1
1 234 . 22 1 1 A 18 18 TYR N N 48 121.714 119.433 2.281 1
1 235 . 22 1 1 A 19 19 LEU H H 49 8.293 8.470 -0.177 1
1 236 . 22 1 1 A 19 19 LEU HA H 49 3.410 3.686 -0.276 1
1 246 . 22 1 1 A 19 19 LEU C C 49 179.153 179.254 -0.101 1
1 247 . 22 1 1 A 19 19 LEU CA C 49 57.822 57.829 -0.007 1
1 248 . 22 1 1 A 19 19 LEU CB C 49 41.929 41.237 0.692 1
1 252 . 22 1 1 A 19 19 LEU N N 49 119.284 120.467 -1.183 1
1 253 . 22 1 1 A 20 20 LYS H H 50 7.322 7.807 -0.485 1
1 254 . 22 1 1 A 20 20 LYS HA H 50 3.893 3.935 -0.042 1
1 263 . 22 1 1 A 20 20 LYS C C 50 177.980 179.452 -1.472 1
1 264 . 22 1 1 A 20 20 LYS CA C 50 59.104 60.161 -1.057 1
1 265 . 22 1 1 A 20 20 LYS CB C 50 32.348 32.069 0.279 1
1 269 . 22 1 1 A 20 20 LYS N N 50 117.005 117.360 -0.355 1
1 270 . 22 1 1 A 21 21 LYS H H 51 7.435 8.089 -0.654 1
1 271 . 22 1 1 A 21 21 LYS HA H 51 4.080 4.021 0.059 1
1 280 . 22 1 1 A 21 21 LYS C C 51 178.971 178.560 0.411 1
1 281 . 22 1 1 A 21 21 LYS CA C 51 57.418 59.225 -1.807 1
1 282 . 22 1 1 A 21 21 LYS CB C 51 32.675 32.123 0.552 1
1 286 . 22 1 1 A 21 21 LYS N N 51 115.946 119.143 -3.197 1
1 287 . 22 1 1 A 22 22 GLY H H 52 8.290 8.176 0.114 1
1 288 . 22 1 1 A 22 22 GLY HA2 H 52 3.897 4.022 -0.125 1
1 289 . 22 1 1 A 22 22 GLY HA3 H 52 4.181 4.089 0.092 1
1 290 . 22 1 1 A 22 22 GLY C C 52 173.610 173.976 -0.366 1
1 291 . 22 1 1 A 22 22 GLY CA C 52 45.088 45.346 -0.258 1
1 292 . 22 1 1 A 22 22 GLY N N 52 105.432 107.774 -2.342 1
1 293 . 22 1 1 A 23 23 THR H H 53 7.148 7.363 -0.215 1
1 294 . 22 1 1 A 23 23 THR HA H 53 4.838 4.560 0.278 1
1 300 . 22 1 1 A 23 23 THR C C 53 174.444 174.685 -0.241 1
1 301 . 22 1 1 A 23 23 THR CA C 53 59.766 59.083 0.683 1
1 302 . 22 1 1 A 23 23 THR CB C 53 72.471 71.477 0.994 1
1 304 . 22 1 1 A 23 23 THR N N 53 107.608 111.837 -4.229 1
1 305 . 22 1 1 A 24 24 LYS H H 54 8.414 8.434 -0.020 1
1 306 . 22 1 1 A 24 24 LYS HA H 54 4.355 4.156 0.199 1
1 315 . 22 1 1 A 24 24 LYS C C 54 177.632 176.930 0.702 1
1 316 . 22 1 1 A 24 24 LYS CA C 54 57.393 58.091 -0.698 1
1 317 . 22 1 1 A 24 24 LYS CB C 54 32.806 32.892 -0.086 1
1 321 . 22 1 1 A 24 24 LYS N N 54 118.924 121.650 -2.726 1
1 322 . 22 1 1 A 25 25 ASN H H 55 7.823 7.855 -0.032 1
1 323 . 22 1 1 A 25 25 ASN HA H 55 4.992 4.963 0.029 1
1 328 . 22 1 1 A 25 25 ASN C C 55 174.882 175.161 -0.279 1
1 329 . 22 1 1 A 25 25 ASN CA C 55 51.540 52.667 -1.127 1
1 330 . 22 1 1 A 25 25 ASN CB C 55 38.209 40.179 -1.970 1
1 332 . 22 1 1 A 25 25 ASN N N 55 116.576 115.912 0.664 1
1 334 . 22 1 1 A 26 26 SER H H 56 8.557 9.106 -0.549 1
1 335 . 22 1 1 A 26 26 SER HA H 56 4.145 4.543 -0.398 1
1 338 . 22 1 1 A 26 26 SER C C 56 176.886 175.323 1.563 1
1 339 . 22 1 1 A 26 26 SER CA C 56 61.051 60.989 0.062 1
1 340 . 22 1 1 A 26 26 SER CB C 56 62.398 63.322 -0.924 1
1 341 . 22 1 1 A 26 26 SER N N 56 118.968 121.148 -2.180 1
1 342 . 22 1 1 A 27 27 ALA H H 57 8.133 7.881 0.252 1
1 343 . 22 1 1 A 27 27 ALA HA H 57 4.277 4.285 -0.008 1
1 347 . 22 1 1 A 27 27 ALA C C 57 177.779 178.225 -0.446 1
1 348 . 22 1 1 A 27 27 ALA CA C 57 54.020 53.572 0.448 1
1 349 . 22 1 1 A 27 27 ALA CB C 57 18.258 18.361 -0.103 1
1 350 . 22 1 1 A 27 27 ALA N N 57 125.334 124.279 1.055 1
1 351 . 22 1 1 A 28 28 GLN H H 58 7.113 8.036 -0.923 1
1 352 . 22 1 1 A 28 28 GLN HA H 58 4.262 4.210 0.052 1
1 359 . 22 1 1 A 28 28 GLN C C 58 174.984 175.956 -0.972 1
1 360 . 22 1 1 A 28 28 GLN CA C 58 56.272 56.520 -0.248 1
1 361 . 22 1 1 A 28 28 GLN CB C 58 28.627 28.006 0.621 1
1 364 . 22 1 1 A 28 28 GLN N N 58 112.472 114.115 -1.643 1
1 366 . 22 1 1 A 29 29 PHE H H 59 7.361 7.089 0.272 1
1 367 . 22 1 1 A 29 29 PHE HA H 59 4.622 4.830 -0.208 1
1 375 . 22 1 1 A 29 29 PHE C C 59 173.987 175.888 -1.901 1
1 376 . 22 1 1 A 29 29 PHE CA C 59 59.534 58.651 0.883 1
1 377 . 22 1 1 A 29 29 PHE CB C 59 38.939 40.135 -1.196 1
1 381 . 22 1 1 A 29 29 PHE N N 59 118.258 119.692 -1.434 1
1 382 . 22 1 1 A 30 30 GLU H H 60 9.228 9.140 0.088 1
1 383 . 22 1 1 A 30 30 GLU HA H 60 4.479 4.784 -0.305 1
1 388 . 22 1 1 A 30 30 GLU C C 60 176.282 176.015 0.267 1
1 389 . 22 1 1 A 30 30 GLU CA C 60 57.063 56.634 0.429 1
1 390 . 22 1 1 A 30 30 GLU CB C 60 33.512 32.041 1.471 1
1 392 . 22 1 1 A 30 30 GLU N N 60 125.247 118.660 6.587 1
1 393 . 22 1 1 A 31 31 LYS H H 61 7.998 8.021 -0.023 1
1 394 . 22 1 1 A 31 31 LYS HA H 61 5.074 4.710 0.364 1
1 403 . 22 1 1 A 31 31 LYS C C 61 172.325 174.280 -1.955 1
1 404 . 22 1 1 A 31 31 LYS CA C 61 54.881 55.081 -0.200 1
1 405 . 22 1 1 A 31 31 LYS CB C 61 35.683 35.018 0.665 1
1 409 . 22 1 1 A 31 31 LYS N N 61 113.709 116.820 -3.111 1
1 410 . 22 1 1 A 32 32 MET H H 62 9.051 9.190 -0.139 1
1 411 . 22 1 1 A 32 32 MET HA H 62 5.630 5.402 0.228 1
1 419 . 22 1 1 A 32 32 MET C C 62 172.898 174.154 -1.256 1
1 420 . 22 1 1 A 32 32 MET CA C 62 53.043 53.230 -0.187 1
1 421 . 22 1 1 A 32 32 MET CB C 62 35.214 35.556 -0.342 1
1 424 . 22 1 1 A 32 32 MET N N 62 118.635 118.192 0.443 1
1 425 . 22 1 1 A 33 33 VAL H H 63 9.186 8.690 0.496 1
1 426 . 22 1 1 A 33 33 VAL HA H 63 4.700 4.874 -0.174 1
1 434 . 22 1 1 A 33 33 VAL C C 63 174.133 173.421 0.712 1
1 435 . 22 1 1 A 33 33 VAL CA C 63 61.351 59.867 1.484 1
1 436 . 22 1 1 A 33 33 VAL CB C 63 34.651 35.538 -0.887 1
1 439 . 22 1 1 A 33 33 VAL N N 63 122.441 118.844 3.597 1
1 440 . 22 1 1 A 34 34 ILE H H 64 9.244 8.945 0.299 1
1 441 . 22 1 1 A 34 34 ILE HA H 64 4.302 4.852 -0.550 1
1 451 . 22 1 1 A 34 34 ILE C C 64 174.924 174.611 0.313 1
1 452 . 22 1 1 A 34 34 ILE CA C 64 60.422 59.688 0.734 1
1 453 . 22 1 1 A 34 34 ILE CB C 64 41.255 41.095 0.160 1
1 457 . 22 1 1 A 34 34 ILE N N 64 127.876 127.997 -0.121 1
1 458 . 22 1 1 A 35 35 LEU H H 65 9.117 9.315 -0.198 1
1 459 . 22 1 1 A 35 35 LEU HA H 65 5.531 5.477 0.054 1
1 469 . 22 1 1 A 35 35 LEU C C 65 178.538 176.522 2.016 1
1 470 . 22 1 1 A 35 35 LEU CA C 65 53.047 53.099 -0.052 1
1 471 . 22 1 1 A 35 35 LEU CB C 65 43.797 43.537 0.260 1
1 475 . 22 1 1 A 35 35 LEU N N 65 125.572 127.745 -2.173 1
1 476 . 22 1 1 A 36 36 THR H H 66 8.634 8.578 0.056 1
1 477 . 22 1 1 A 36 36 THR HA H 66 5.212 5.230 -0.018 1
1 482 . 22 1 1 A 36 36 THR C C 66 174.918 174.794 0.124 1
1 483 . 22 1 1 A 36 36 THR CA C 66 59.374 59.827 -0.453 1
1 484 . 22 1 1 A 36 36 THR CB C 66 72.100 71.433 0.667 1
1 486 . 22 1 1 A 36 36 THR N N 66 112.840 115.504 -2.664 1
1 487 . 22 1 1 A 37 37 GLU H H 67 8.580 8.413 0.167 1
1 488 . 22 1 1 A 37 37 GLU HA H 67 4.469 4.137 0.332 1
1 493 . 22 1 1 A 37 37 GLU C C 67 177.333 176.936 0.397 1
1 494 . 22 1 1 A 37 37 GLU CA C 67 57.348 56.303 1.045 1
1 495 . 22 1 1 A 37 37 GLU CB C 67 31.357 30.746 0.611 1
1 497 . 22 1 1 A 37 37 GLU N N 67 118.675 121.508 -2.833 1
1 498 . 22 1 1 A 38 38 ASN H H 68 8.580 9.398 -0.818 1
1 499 . 22 1 1 A 38 38 ASN HA H 68 3.768 4.527 -0.759 1
1 504 . 22 1 1 A 38 38 ASN C C 68 172.921 174.595 -1.674 1
1 505 . 22 1 1 A 38 38 ASN CA C 68 54.686 54.625 0.061 1
1 506 . 22 1 1 A 38 38 ASN CB C 68 36.511 37.095 -0.584 1
1 508 . 22 1 1 A 38 38 ASN N N 68 114.341 116.450 -2.109 1
1 510 . 22 1 1 A 39 39 LYS H H 69 7.891 8.761 -0.870 1
1 511 . 22 1 1 A 39 39 LYS HA H 69 3.936 3.838 0.098 1
1 520 . 22 1 1 A 39 39 LYS C C 69 177.032 176.261 0.771 1
1 521 . 22 1 1 A 39 39 LYS CA C 69 56.758 57.566 -0.808 1
1 522 . 22 1 1 A 39 39 LYS CB C 69 28.099 29.348 -1.249 1
1 526 . 22 1 1 A 39 39 LYS N N 69 107.932 109.836 -1.904 1
1 527 . 22 1 1 A 40 40 GLY H H 70 6.998 7.771 -0.773 1
1 528 . 22 1 1 A 40 40 GLY HA2 H 70 4.362 3.866 0.496 1
1 529 . 22 1 1 A 40 40 GLY HA3 H 70 3.875 4.032 -0.157 1
1 530 . 22 1 1 A 40 40 GLY C C 70 173.763 172.098 1.665 1
1 531 . 22 1 1 A 40 40 GLY CA C 70 46.628 45.694 0.934 1
1 532 . 22 1 1 A 40 40 GLY N N 70 107.011 107.434 -0.423 1
1 533 . 22 1 1 A 41 41 TYR H H 71 7.679 8.399 -0.720 1
1 534 . 22 1 1 A 41 41 TYR HA H 71 5.097 5.365 -0.268 1
1 541 . 22 1 1 A 41 41 TYR C C 71 174.452 172.829 1.623 1
1 542 . 22 1 1 A 41 41 TYR CA C 71 57.730 56.624 1.106 1
1 543 . 22 1 1 A 41 41 TYR CB C 71 40.474 41.914 -1.440 1
1 546 . 22 1 1 A 41 41 TYR N N 71 129.822 123.645 6.177 1
1 547 . 22 1 1 A 42 42 TYR H H 72 9.101 8.640 0.461 1
1 548 . 22 1 1 A 42 42 TYR HA H 72 4.875 5.081 -0.206 1
1 555 . 22 1 1 A 42 42 TYR C C 72 174.448 174.633 -0.185 1
1 556 . 22 1 1 A 42 42 TYR CA C 72 56.114 56.685 -0.571 1
1 557 . 22 1 1 A 42 42 TYR CB C 72 41.115 43.044 -1.929 1
1 560 . 22 1 1 A 42 42 TYR N N 72 126.527 126.043 0.484 1
1 561 . 22 1 1 A 43 43 THR H H 73 9.022 8.893 0.129 1
1 562 . 22 1 1 A 43 43 THR HA H 73 4.876 5.200 -0.324 1
1 567 . 22 1 1 A 43 43 THR C C 73 174.791 172.563 2.228 1
1 568 . 22 1 1 A 43 43 THR CA C 73 62.821 59.750 3.071 1
1 569 . 22 1 1 A 43 43 THR CB C 73 68.769 71.659 -2.890 1
1 571 . 22 1 1 A 43 43 THR N N 73 120.810 115.888 4.922 1
1 572 . 22 1 1 A 44 44 VAL H H 74 9.233 9.019 0.214 1
1 573 . 22 1 1 A 44 44 VAL HA H 74 4.427 4.650 -0.223 1
1 581 . 22 1 1 A 44 44 VAL C C 74 175.094 174.477 0.617 1
1 582 . 22 1 1 A 44 44 VAL CA C 74 61.457 61.130 0.327 1
1 583 . 22 1 1 A 44 44 VAL CB C 74 35.669 35.210 0.459 1
1 586 . 22 1 1 A 44 44 VAL N N 74 129.156 126.449 2.707 1
1 587 . 22 1 1 A 45 45 TYR H H 75 9.384 8.932 0.452 1
1 588 . 22 1 1 A 45 45 TYR HA H 75 4.528 4.645 -0.117 1
1 595 . 22 1 1 A 45 45 TYR C C 75 176.497 175.769 0.728 1
1 596 . 22 1 1 A 45 45 TYR CA C 75 59.843 58.840 1.003 1
1 597 . 22 1 1 A 45 45 TYR CB C 75 38.245 39.202 -0.957 1
1 600 . 22 1 1 A 45 45 TYR N N 75 128.465 127.086 1.379 1
1 601 . 22 1 1 A 46 46 LEU H H 76 8.524 9.196 -0.672 1
1 602 . 22 1 1 A 46 46 LEU HA H 76 4.528 4.655 -0.127 1
1 612 . 22 1 1 A 46 46 LEU C C 76 177.001 177.816 -0.815 1
1 613 . 22 1 1 A 46 46 LEU CA C 76 55.010 54.482 0.528 1
1 614 . 22 1 1 A 46 46 LEU CB C 76 42.094 42.766 -0.672 1
1 618 . 22 1 1 A 46 46 LEU N N 76 119.547 124.113 -4.566 1
1 619 . 22 1 1 A 47 47 ASN H H 77 8.599 7.872 0.727 1
1 620 . 22 1 1 A 47 47 ASN HA H 77 4.618 4.702 -0.084 1
1 625 . 22 1 1 A 47 47 ASN C C 77 173.844 175.030 -1.186 1
1 626 . 22 1 1 A 47 47 ASN CA C 77 54.045 54.992 -0.947 1
1 627 . 22 1 1 A 47 47 ASN CB C 77 37.058 38.247 -1.189 1
1 629 . 22 1 1 A 47 47 ASN N N 77 116.407 116.941 -0.534 1
1 631 . 22 1 1 A 48 48 THR H H 78 7.429 7.518 -0.089 1
1 632 . 22 1 1 A 48 48 THR HA H 78 4.803 5.066 -0.263 1
1 637 . 22 1 1 A 48 48 THR C C 78 175.201 171.728 3.473 1
1 638 . 22 1 1 A 48 48 THR CA C 78 58.577 58.735 -0.158 1
1 639 . 22 1 1 A 48 48 THR CB C 78 70.494 70.554 -0.060 1
1 641 . 22 1 1 A 48 48 THR N N 78 111.551 110.166 1.385 1
1 642 . 22 1 1 A 49 49 PRO HA H 79 4.462 4.590 -0.128 1
1 649 . 22 1 1 A 49 49 PRO C C 79 176.670 176.691 -0.021 1
1 650 . 22 1 1 A 49 49 PRO CA C 79 62.384 62.594 -0.210 1
1 651 . 22 1 1 A 49 49 PRO CB C 79 32.205 32.188 0.017 1
1 654 . 22 1 1 A 50 50 LEU H H 80 9.049 8.384 0.665 1
1 655 . 22 1 1 A 50 50 LEU HA H 80 4.081 4.346 -0.265 1
1 665 . 22 1 1 A 50 50 LEU C C 80 176.758 175.694 1.064 1
1 666 . 22 1 1 A 50 50 LEU CA C 80 55.315 55.698 -0.383 1
1 667 . 22 1 1 A 50 50 LEU CB C 80 41.915 42.884 -0.969 1
1 671 . 22 1 1 A 50 50 LEU N N 80 126.341 123.141 3.200 1
1 672 . 22 1 1 A 51 51 ALA H H 81 8.415 8.126 0.289 1
1 673 . 22 1 1 A 51 51 ALA HA H 81 4.187 4.691 -0.504 1
1 677 . 22 1 1 A 51 51 ALA C C 81 179.005 177.427 1.578 1
1 678 . 22 1 1 A 51 51 ALA CA C 81 52.851 49.633 3.218 1
1 679 . 22 1 1 A 51 51 ALA CB C 81 19.625 22.728 -3.103 1
1 680 . 22 1 1 A 51 51 ALA N N 81 129.745 127.610 2.135 1
1 681 . 22 1 1 A 52 52 GLU H H 82 8.739 9.247 -0.508 1
1 682 . 22 1 1 A 52 52 GLU HA H 82 3.815 3.987 -0.172 1
1 687 . 22 1 1 A 52 52 GLU C C 82 178.591 177.910 0.681 1
1 688 . 22 1 1 A 52 52 GLU CA C 82 59.566 59.558 0.008 1
1 689 . 22 1 1 A 52 52 GLU CB C 82 29.774 29.192 0.582 1
1 691 . 22 1 1 A 52 52 GLU N N 82 121.424 121.042 0.382 1
1 692 . 22 1 1 A 53 53 ASP H H 83 8.511 8.127 0.384 1
1 693 . 22 1 1 A 53 53 ASP HA H 83 4.427 4.464 -0.037 1
1 696 . 22 1 1 A 53 53 ASP C C 83 177.306 177.131 0.175 1
1 697 . 22 1 1 A 53 53 ASP CA C 83 55.398 56.441 -1.043 1
1 698 . 22 1 1 A 53 53 ASP CB C 83 39.430 40.498 -1.068 1
1 699 . 22 1 1 A 53 53 ASP N N 83 114.043 118.033 -3.990 1
1 700 . 22 1 1 A 54 54 ARG H H 84 7.800 7.793 0.007 1
1 701 . 22 1 1 A 54 54 ARG HA H 84 4.527 4.464 0.063 1
1 710 . 22 1 1 A 54 54 ARG C C 84 176.966 178.169 -1.203 1
1 711 . 22 1 1 A 54 54 ARG CA C 84 55.915 56.688 -0.773 1
1 712 . 22 1 1 A 54 54 ARG CB C 84 31.804 31.033 0.771 1
1 715 . 22 1 1 A 54 54 ARG N N 84 118.147 117.635 0.512 1
1 718 . 22 1 1 A 55 55 LYS H H 85 7.335 8.251 -0.916 1
1 719 . 22 1 1 A 55 55 LYS HA H 85 3.551 4.121 -0.570 1
1 728 . 22 1 1 A 55 55 LYS C C 85 178.113 178.799 -0.686 1
1 729 . 22 1 1 A 55 55 LYS CA C 85 59.887 59.505 0.382 1
1 730 . 22 1 1 A 55 55 LYS CB C 85 32.935 32.140 0.795 1
1 734 . 22 1 1 A 55 55 LYS N N 85 116.576 120.129 -3.553 1
1 735 . 22 1 1 A 56 56 ASN H H 86 8.347 8.050 0.297 1
1 736 . 22 1 1 A 56 56 ASN HA H 86 4.886 4.763 0.123 1
1 741 . 22 1 1 A 56 56 ASN C C 86 174.736 175.561 -0.825 1
1 742 . 22 1 1 A 56 56 ASN CA C 86 52.265 53.892 -1.627 1
1 743 . 22 1 1 A 56 56 ASN CB C 86 38.239 38.635 -0.396 1
1 745 . 22 1 1 A 56 56 ASN N N 86 114.341 115.903 -1.562 1
1 747 . 22 1 1 A 57 57 VAL H H 87 6.985 7.467 -0.482 1
1 748 . 22 1 1 A 57 57 VAL HA H 87 3.746 3.999 -0.253 1
1 756 . 22 1 1 A 57 57 VAL C C 87 175.380 175.623 -0.243 1
1 757 . 22 1 1 A 57 57 VAL CA C 87 63.723 62.513 1.210 1
1 758 . 22 1 1 A 57 57 VAL CB C 87 32.650 32.429 0.221 1
1 761 . 22 1 1 A 57 57 VAL N N 87 121.424 121.692 -0.268 1
1 762 . 22 1 1 A 58 58 GLU H H 88 8.777 8.560 0.217 1
1 763 . 22 1 1 A 58 58 GLU HA H 88 4.339 4.515 -0.176 1
1 768 . 22 1 1 A 58 58 GLU C C 88 176.364 176.201 0.163 1
1 769 . 22 1 1 A 58 58 GLU CA C 88 56.085 56.599 -0.514 1
1 770 . 22 1 1 A 58 58 GLU CB C 88 29.861 30.134 -0.273 1
1 772 . 22 1 1 A 58 58 GLU N N 88 129.489 127.347 2.142 1
1 773 . 22 1 1 A 59 59 LEU H H 89 8.230 9.095 -0.865 1
1 774 . 22 1 1 A 59 59 LEU HA H 89 4.299 4.251 0.048 1
1 784 . 22 1 1 A 59 59 LEU C C 89 178.976 176.867 2.109 1
1 785 . 22 1 1 A 59 59 LEU CA C 89 54.651 54.710 -0.059 1
1 786 . 22 1 1 A 59 59 LEU CB C 89 42.596 41.348 1.248 1
1 790 . 22 1 1 A 59 59 LEU N N 89 124.395 126.357 -1.962 1
1 791 . 22 1 1 A 60 60 LEU H H 90 7.777 9.283 -1.506 1
1 792 . 22 1 1 A 60 60 LEU HA H 90 4.135 4.201 -0.066 1
1 802 . 22 1 1 A 60 60 LEU C C 90 176.394 176.804 -0.410 1
1 803 . 22 1 1 A 60 60 LEU CA C 90 56.754 56.679 0.075 1
1 804 . 22 1 1 A 60 60 LEU CB C 90 42.413 42.580 -0.167 1
1 808 . 22 1 1 A 60 60 LEU N N 90 119.734 125.953 -6.219 1
1 809 . 22 1 1 A 61 61 GLY H H 91 7.224 7.507 -0.283 1
1 810 . 22 1 1 A 61 61 GLY HA2 H 91 4.165 4.122 0.043 1
1 811 . 22 1 1 A 61 61 GLY HA3 H 91 3.899 4.138 -0.239 1
1 812 . 22 1 1 A 61 61 GLY C C 91 171.742 172.253 -0.511 1
1 813 . 22 1 1 A 61 61 GLY CA C 91 44.969 45.762 -0.793 1
1 814 . 22 1 1 A 61 61 GLY N N 91 103.707 104.812 -1.105 1
1 815 . 22 1 1 A 62 62 LYS H H 92 8.771 9.019 -0.248 1
1 816 . 22 1 1 A 62 62 LYS HA H 92 4.150 4.248 -0.098 1
1 825 . 22 1 1 A 62 62 LYS C C 92 177.522 176.753 0.769 1
1 826 . 22 1 1 A 62 62 LYS CA C 92 56.750 56.516 0.234 1
1 827 . 22 1 1 A 62 62 LYS CB C 92 33.835 33.044 0.791 1
1 831 . 22 1 1 A 62 62 LYS N N 92 118.635 120.372 -1.737 1
1 832 . 22 1 1 A 63 63 MET H H 93 9.188 8.488 0.700 1
1 833 . 22 1 1 A 63 63 MET HA H 93 3.835 4.572 -0.737 1
1 841 . 22 1 1 A 63 63 MET C C 93 173.913 175.640 -1.727 1
1 842 . 22 1 1 A 63 63 MET CA C 93 59.275 53.879 5.396 1
1 843 . 22 1 1 A 63 63 MET CB C 93 31.483 31.061 0.422 1
1 846 . 22 1 1 A 63 63 MET N N 93 123.413 121.834 1.579 1
1 847 . 22 1 1 A 64 64 TYR H H 94 9.421 8.425 0.996 1
1 848 . 22 1 1 A 64 64 TYR HA H 94 4.767 4.266 0.501 1
1 855 . 22 1 1 A 64 64 TYR C C 94 173.918 174.938 -1.020 1
1 856 . 22 1 1 A 64 64 TYR CA C 94 56.933 61.199 -4.266 1
1 857 . 22 1 1 A 64 64 TYR CB C 94 40.020 38.968 1.052 1
1 860 . 22 1 1 A 64 64 TYR N N 94 129.403 125.720 3.683 1
1 861 . 22 1 1 A 65 65 LYS H H 95 7.289 7.369 -0.080 1
1 862 . 22 1 1 A 65 65 LYS HA H 95 4.688 4.535 0.153 1
1 871 . 22 1 1 A 65 65 LYS C C 95 175.000 173.927 1.073 1
1 872 . 22 1 1 A 65 65 LYS CA C 95 55.841 55.516 0.325 1
1 873 . 22 1 1 A 65 65 LYS CB C 95 40.404 35.801 4.603 1
1 877 . 22 1 1 A 65 65 LYS N N 95 118.804 118.332 0.472 1
1 878 . 22 1 1 A 66 66 THR H H 96 8.727 8.036 0.691 1
1 879 . 22 1 1 A 66 66 THR HA H 96 5.149 5.127 0.022 1
1 885 . 22 1 1 A 66 66 THR C C 96 172.120 172.610 -0.490 1
1 886 . 22 1 1 A 66 66 THR CA C 96 62.226 60.513 1.713 1
1 887 . 22 1 1 A 66 66 THR CB C 96 71.787 71.962 -0.175 1
1 889 . 22 1 1 A 66 66 THR N N 96 116.235 118.977 -2.742 1
1 890 . 22 1 1 A 67 67 TYR H H 97 8.969 8.924 0.045 1
1 891 . 22 1 1 A 67 67 TYR HA H 97 5.027 5.083 -0.056 1
1 898 . 22 1 1 A 67 67 TYR C C 97 175.077 174.758 0.319 1
1 899 . 22 1 1 A 67 67 TYR CA C 97 57.278 56.499 0.779 1
1 900 . 22 1 1 A 67 67 TYR CB C 97 42.054 42.244 -0.190 1
1 903 . 22 1 1 A 67 67 TYR N N 97 125.256 124.218 1.038 1
1 904 . 22 1 1 A 68 68 PHE H H 98 9.189 9.011 0.178 1
1 905 . 22 1 1 A 68 68 PHE HA H 98 5.177 5.066 0.111 1
1 913 . 22 1 1 A 68 68 PHE C C 98 174.791 174.800 -0.009 1
1 914 . 22 1 1 A 68 68 PHE CA C 98 57.825 56.612 1.213 1
1 915 . 22 1 1 A 68 68 PHE CB C 98 42.377 43.198 -0.821 1
1 919 . 22 1 1 A 68 68 PHE N N 98 118.574 120.111 -1.537 1
1 920 . 22 1 1 A 69 69 PHE H H 99 8.976 9.230 -0.254 1
1 921 . 22 1 1 A 69 69 PHE HA H 99 4.893 5.236 -0.343 1
1 929 . 22 1 1 A 69 69 PHE C C 99 176.386 175.557 0.829 1
1 930 . 22 1 1 A 69 69 PHE CA C 99 56.777 56.228 0.549 1
1 931 . 22 1 1 A 69 69 PHE CB C 99 41.371 42.413 -1.042 1
1 935 . 22 1 1 A 69 69 PHE N N 99 119.573 120.815 -1.242 1
1 936 . 22 1 1 A 70 70 LYS H H 100 9.479 8.677 0.802 1
1 937 . 22 1 1 A 70 70 LYS HA H 100 4.533 4.345 0.188 1
1 946 . 22 1 1 A 70 70 LYS C C 100 176.156 176.971 -0.815 1
1 947 . 22 1 1 A 70 70 LYS CA C 100 56.706 56.369 0.337 1
1 948 . 22 1 1 A 70 70 LYS CB C 100 33.667 33.089 0.578 1
1 952 . 22 1 1 A 70 70 LYS N N 100 125.614 123.069 2.545 1
1 953 . 22 1 1 A 71 71 LYS H H 101 8.068 8.939 -0.871 1
1 954 . 22 1 1 A 71 71 LYS HA H 101 4.188 4.106 0.082 1
1 963 . 22 1 1 A 71 71 LYS C C 101 177.655 177.554 0.101 1
1 964 . 22 1 1 A 71 71 LYS CA C 101 58.238 58.831 -0.593 1
1 965 . 22 1 1 A 71 71 LYS CB C 101 32.342 32.257 0.085 1
1 969 . 22 1 1 A 71 71 LYS N N 101 121.057 121.809 -0.752 1
1 970 . 22 1 1 A 72 72 GLY H H 102 8.899 9.318 -0.419 1
1 971 . 22 1 1 A 72 72 GLY HA2 H 102 4.196 3.998 0.198 1
1 972 . 22 1 1 A 72 72 GLY HA3 H 102 3.815 4.006 -0.191 1
1 973 . 22 1 1 A 72 72 GLY C C 102 173.997 175.063 -1.066 1
1 974 . 22 1 1 A 72 72 GLY CA C 102 45.802 44.963 0.839 1
1 975 . 22 1 1 A 72 72 GLY N N 102 114.112 112.585 1.527 1
1 976 . 22 1 1 A 73 73 GLU H H 103 8.047 7.990 0.057 1
1 977 . 22 1 1 A 73 73 GLU HA H 103 4.764 4.710 0.054 1
1 982 . 22 1 1 A 73 73 GLU C C 103 175.975 176.203 -0.228 1
1 983 . 22 1 1 A 73 73 GLU CA C 103 56.295 55.821 0.474 1
1 984 . 22 1 1 A 73 73 GLU CB C 103 31.153 31.523 -0.370 1
1 986 . 22 1 1 A 73 73 GLU N N 103 119.538 120.607 -1.069 1
1 987 . 22 1 1 A 74 74 SER H H 104 8.742 8.676 0.066 1
1 988 . 22 1 1 A 74 74 SER HA H 104 4.598 4.888 -0.290 1
1 991 . 22 1 1 A 74 74 SER C C 104 171.916 173.804 -1.888 1
1 992 . 22 1 1 A 74 74 SER CA C 104 58.363 57.390 0.973 1
1 993 . 22 1 1 A 74 74 SER CB C 104 64.025 64.834 -0.809 1
1 994 . 22 1 1 A 74 74 SER N N 104 115.383 113.807 1.576 1
1 995 . 22 1 1 A 75 75 LYS H H 105 7.608 7.501 0.107 1
1 996 . 22 1 1 A 75 75 LYS HA H 105 5.588 5.212 0.376 1
1 1005 . 22 1 1 A 75 75 LYS C C 105 176.017 175.035 0.982 1
1 1006 . 22 1 1 A 75 75 LYS CA C 105 54.548 55.110 -0.562 1
1 1007 . 22 1 1 A 75 75 LYS CB C 105 35.211 36.198 -0.987 1
1 1011 . 22 1 1 A 75 75 LYS N N 105 121.040 123.325 -2.285 1
1 1012 . 22 1 1 A 76 76 SER H H 106 8.231 8.979 -0.748 1
1 1013 . 22 1 1 A 76 76 SER HA H 106 3.377 4.114 -0.737 1
1 1016 . 22 1 1 A 76 76 SER C C 106 172.571 173.925 -1.354 1
1 1017 . 22 1 1 A 76 76 SER CA C 106 59.650 57.598 2.052 1
1 1018 . 22 1 1 A 76 76 SER CB C 106 64.857 64.497 0.360 1
1 1019 . 22 1 1 A 76 76 SER N N 106 121.783 118.172 3.611 1
1 1020 . 22 1 1 A 77 77 SER H H 107 8.333 9.150 -0.817 1
1 1021 . 22 1 1 A 77 77 SER HA H 107 5.025 4.668 0.357 1
1 1024 . 22 1 1 A 77 77 SER C C 107 174.507 173.432 1.075 1
1 1025 . 22 1 1 A 77 77 SER CA C 107 57.561 58.944 -1.383 1
1 1026 . 22 1 1 A 77 77 SER CB C 107 65.330 66.081 -0.751 1
1 1027 . 22 1 1 A 77 77 SER N N 107 106.276 116.614 -10.338 1
1 1028 . 22 1 1 A 78 78 TYR H H 108 7.825 7.458 0.367 1
1 1029 . 22 1 1 A 78 78 TYR HA H 108 4.754 4.850 -0.096 1
1 1036 . 22 1 1 A 78 78 TYR C C 108 171.725 173.669 -1.944 1
1 1037 . 22 1 1 A 78 78 TYR CA C 108 57.778 56.610 1.168 1
1 1038 . 22 1 1 A 78 78 TYR CB C 108 43.223 41.681 1.542 1
1 1041 . 22 1 1 A 78 78 TYR N N 108 126.289 119.778 6.511 1
1 1042 . 22 1 1 A 79 79 VAL H H 109 7.760 8.378 -0.618 1
1 1043 . 22 1 1 A 79 79 VAL HA H 109 5.215 4.956 0.259 1
1 1051 . 22 1 1 A 79 79 VAL C C 109 172.526 174.057 -1.531 1
1 1052 . 22 1 1 A 79 79 VAL CA C 109 59.193 59.548 -0.355 1
1 1053 . 22 1 1 A 79 79 VAL CB C 109 36.173 36.064 0.109 1
1 1056 . 22 1 1 A 79 79 VAL N N 109 127.825 120.968 6.857 1
1 1057 . 22 1 1 A 80 80 ILE H H 110 8.616 8.244 0.372 1
1 1058 . 22 1 1 A 80 80 ILE HA H 110 4.011 4.416 -0.405 1
1 1068 . 22 1 1 A 80 80 ILE C C 110 174.690 174.207 0.483 1
1 1069 . 22 1 1 A 80 80 ILE CA C 110 60.922 59.846 1.076 1
1 1070 . 22 1 1 A 80 80 ILE CB C 110 42.047 41.837 0.210 1
1 1074 . 22 1 1 A 80 80 ILE N N 110 124.001 122.089 1.912 1
1 1075 . 22 1 1 A 81 81 ASN H H 111 8.937 8.428 0.509 1
1 1076 . 22 1 1 A 81 81 ASN HA H 111 4.760 5.411 -0.651 1
1 1081 . 22 1 1 A 81 81 ASN C C 111 175.326 175.435 -0.109 1
1 1082 . 22 1 1 A 81 81 ASN CA C 111 53.600 51.230 2.370 1
1 1083 . 22 1 1 A 81 81 ASN CB C 111 40.412 41.041 -0.629 1
1 1085 . 22 1 1 A 81 81 ASN N N 111 126.229 123.996 2.233 1
1 1087 . 22 1 1 A 82 82 GLY H H 112 7.984 8.120 -0.136 1
1 1088 . 22 1 1 A 82 82 GLY HA2 H 112 4.457 4.212 0.245 1
1 1089 . 22 1 1 A 82 82 GLY HA3 H 112 3.847 4.219 -0.372 1
1 1090 . 22 1 1 A 82 82 GLY C C 112 171.875 170.999 0.876 1
1 1091 . 22 1 1 A 82 82 GLY CA C 112 43.303 45.413 -2.110 1
1 1092 . 22 1 1 A 82 82 GLY N N 112 110.894 108.746 2.148 1
1 1093 . 22 1 1 A 83 83 PRO HA H 113 4.609 4.256 0.353 1
1 1100 . 22 1 1 A 83 83 PRO C C 113 178.327 177.394 0.933 1
1 1101 . 22 1 1 A 83 83 PRO CA C 113 63.342 63.517 -0.175 1
1 1102 . 22 1 1 A 83 83 PRO CB C 113 32.232 31.697 0.535 1
1 1105 . 22 1 1 A 84 84 GLY H H 114 8.939 8.780 0.159 1
1 1106 . 22 1 1 A 84 84 GLY HA2 H 114 4.055 3.956 0.099 1
1 1107 . 22 1 1 A 84 84 GLY HA3 H 114 3.192 4.006 -0.814 1
1 1108 . 22 1 1 A 84 84 GLY C C 114 172.587 175.008 -2.421 1
1 1109 . 22 1 1 A 84 84 GLY CA C 114 44.667 45.353 -0.686 1
1 1110 . 22 1 1 A 84 84 GLY N N 114 109.324 111.696 -2.372 1
1 1111 . 22 1 1 A 85 85 LYS H H 115 9.550 8.305 1.245 1
1 1112 . 22 1 1 A 85 85 LYS HA H 115 4.527 4.125 0.402 1
1 1121 . 22 1 1 A 85 85 LYS C C 115 175.690 174.770 0.920 1
1 1122 . 22 1 1 A 85 85 LYS CA C 115 56.251 57.631 -1.380 1
1 1123 . 22 1 1 A 85 85 LYS CB C 115 34.217 32.277 1.940 1
1 1127 . 22 1 1 A 85 85 LYS N N 115 119.240 119.992 -0.752 1
1 1128 . 22 1 1 A 86 86 THR H H 116 7.327 7.266 0.061 1
1 1129 . 22 1 1 A 86 86 THR HA H 116 3.572 3.828 -0.256 1
1 1134 . 22 1 1 A 86 86 THR C C 116 170.519 172.737 -2.218 1
1 1135 . 22 1 1 A 86 86 THR CA C 116 59.094 60.020 -0.926 1
1 1136 . 22 1 1 A 86 86 THR CB C 116 68.191 69.725 -1.534 1
1 1138 . 22 1 1 A 86 86 THR N N 116 113.403 111.588 1.815 1
1 1139 . 22 1 1 A 87 87 ASN H H 117 8.035 8.692 -0.657 1
1 1140 . 22 1 1 A 87 87 ASN HA H 117 4.914 4.696 0.218 1
1 1145 . 22 1 1 A 87 87 ASN C C 117 175.798 176.322 -0.524 1
1 1146 . 22 1 1 A 87 87 ASN CA C 117 52.062 55.514 -3.452 1
1 1147 . 22 1 1 A 87 87 ASN CB C 117 40.563 38.582 1.981 1
1 1149 . 22 1 1 A 87 87 ASN N N 117 118.907 123.375 -4.468 1
1 1151 . 22 1 1 A 88 88 GLU H H 118 8.362 7.707 0.655 1
1 1152 . 22 1 1 A 88 88 GLU HA H 118 4.116 4.476 -0.360 1
1 1157 . 22 1 1 A 88 88 GLU C C 118 175.935 175.875 0.060 1
1 1158 . 22 1 1 A 88 88 GLU CA C 118 55.589 56.163 -0.574 1
1 1159 . 22 1 1 A 88 88 GLU CB C 118 29.435 29.501 -0.066 1
1 1161 . 22 1 1 A 88 88 GLU N N 118 119.547 116.680 2.867 1
1 1162 . 22 1 1 A 89 89 TYR H H 119 7.918 8.044 -0.126 1
1 1163 . 22 1 1 A 89 89 TYR HA H 119 4.639 4.604 0.035 1
1 1170 . 22 1 1 A 89 89 TYR C C 119 175.750 175.217 0.533 1
1 1171 . 22 1 1 A 89 89 TYR CA C 119 59.270 58.495 0.775 1
1 1172 . 22 1 1 A 89 89 TYR CB C 119 38.274 37.354 0.920 1
1 1175 . 22 1 1 A 89 89 TYR N N 119 118.293 118.655 -0.362 1
1 1176 . 22 1 1 A 90 90 ALA H H 120 8.285 8.291 -0.006 1
1 1177 . 22 1 1 A 90 90 ALA HA H 120 4.273 4.192 0.081 1
1 1181 . 22 1 1 A 90 90 ALA C C 120 175.773 175.742 0.031 1
1 1182 . 22 1 1 A 90 90 ALA CA C 120 52.014 51.584 0.430 1
1 1183 . 22 1 1 A 90 90 ALA CB C 120 19.920 17.204 2.716 1
1 1184 . 22 1 1 A 90 90 ALA N N 120 126.212 127.518 -1.306 1
1 11 . 23 1 1 A 2 2 SER HA H 32 4.469 4.688 -0.219 1
1 14 . 23 1 1 A 2 2 SER C C 32 174.865 173.838 1.027 1
1 15 . 23 1 1 A 2 2 SER CA C 32 58.680 59.060 -0.380 1
1 16 . 23 1 1 A 2 2 SER CB C 32 63.805 66.159 -2.354 1
1 17 . 23 1 1 A 3 3 GLY H H 33 8.513 7.439 1.074 1
1 18 . 23 1 1 A 3 3 GLY HA2 H 33 3.972 4.035 -0.063 1
1 19 . 23 1 1 A 3 3 GLY HA3 H 33 3.972 4.036 -0.064 1
1 20 . 23 1 1 A 3 3 GLY C C 33 173.735 172.492 1.243 1
1 21 . 23 1 1 A 3 3 GLY CA C 33 45.132 45.335 -0.203 1
1 22 . 23 1 1 A 3 3 GLY N N 33 110.526 106.944 3.582 1
1 23 . 23 1 1 A 4 4 LEU H H 34 8.145 8.466 -0.321 1
1 24 . 23 1 1 A 4 4 LEU HA H 34 4.599 5.019 -0.420 1
1 34 . 23 1 1 A 4 4 LEU C C 34 175.201 174.540 0.661 1
1 35 . 23 1 1 A 4 4 LEU CA C 34 53.002 51.526 1.476 1
1 36 . 23 1 1 A 4 4 LEU CB C 34 41.772 43.706 -1.934 1
1 40 . 23 1 1 A 4 4 LEU N N 34 122.423 125.627 -3.204 1
1 41 . 23 1 1 A 5 5 PRO HA H 35 4.551 4.594 -0.043 1
1 48 . 23 1 1 A 5 5 PRO C C 35 176.487 176.116 0.371 1
1 49 . 23 1 1 A 5 5 PRO CA C 35 62.771 62.675 0.096 1
1 50 . 23 1 1 A 5 5 PRO CB C 35 32.488 32.086 0.402 1
1 53 . 23 1 1 A 6 6 THR H H 36 8.447 8.484 -0.037 1
1 54 . 23 1 1 A 6 6 THR HA H 36 4.445 4.531 -0.086 1
1 59 . 23 1 1 A 6 6 THR C C 36 174.231 173.680 0.551 1
1 60 . 23 1 1 A 6 6 THR CA C 36 61.727 61.127 0.600 1
1 61 . 23 1 1 A 6 6 THR CB C 36 69.213 69.958 -0.745 1
1 63 . 23 1 1 A 6 6 THR N N 36 111.916 117.762 -5.846 1
1 64 . 23 1 1 A 7 7 THR H H 37 7.303 7.267 0.036 1
1 65 . 23 1 1 A 7 7 THR HA H 37 5.232 4.914 0.318 1
1 70 . 23 1 1 A 7 7 THR C C 37 175.848 174.711 1.137 1
1 71 . 23 1 1 A 7 7 THR CA C 37 58.599 59.464 -0.865 1
1 72 . 23 1 1 A 7 7 THR CB C 37 71.971 72.217 -0.246 1
1 74 . 23 1 1 A 7 7 THR N N 37 110.288 112.819 -2.531 1
1 75 . 23 1 1 A 8 8 LEU H H 38 9.065 8.707 0.358 1
1 76 . 23 1 1 A 8 8 LEU HA H 38 3.829 3.918 -0.089 1
1 86 . 23 1 1 A 8 8 LEU C C 38 177.964 178.896 -0.932 1
1 87 . 23 1 1 A 8 8 LEU CA C 38 57.613 57.892 -0.279 1
1 88 . 23 1 1 A 8 8 LEU CB C 38 41.058 41.343 -0.285 1
1 92 . 23 1 1 A 8 8 LEU N N 38 122.441 123.598 -1.157 1
1 93 . 23 1 1 A 9 9 GLY H H 39 8.753 8.259 0.494 1
1 94 . 23 1 1 A 9 9 GLY HA2 H 39 3.969 3.809 0.160 1
1 95 . 23 1 1 A 9 9 GLY HA3 H 39 3.769 3.809 -0.040 1
1 96 . 23 1 1 A 9 9 GLY C C 39 176.615 176.197 0.418 1
1 97 . 23 1 1 A 9 9 GLY CA C 39 47.314 47.037 0.277 1
1 98 . 23 1 1 A 9 9 GLY N N 39 104.356 107.087 -2.731 1
1 99 . 23 1 1 A 10 10 LYS H H 40 7.341 7.717 -0.376 1
1 100 . 23 1 1 A 10 10 LYS HA H 40 4.241 4.120 0.121 1
1 109 . 23 1 1 A 10 10 LYS C C 40 179.292 179.196 0.096 1
1 110 . 23 1 1 A 10 10 LYS CA C 40 58.108 59.277 -1.169 1
1 111 . 23 1 1 A 10 10 LYS CB C 40 32.346 32.346 0.000 1
1 115 . 23 1 1 A 10 10 LYS N N 40 120.741 122.386 -1.645 1
1 116 . 23 1 1 A 11 11 LEU H H 41 8.033 7.553 0.480 1
1 117 . 23 1 1 A 11 11 LEU HA H 41 4.059 3.977 0.082 1
1 127 . 23 1 1 A 11 11 LEU C C 41 177.253 177.927 -0.674 1
1 128 . 23 1 1 A 11 11 LEU CA C 41 57.978 57.543 0.435 1
1 129 . 23 1 1 A 11 11 LEU CB C 41 41.760 41.627 0.133 1
1 133 . 23 1 1 A 11 11 LEU N N 41 121.501 122.228 -0.727 1
1 134 . 23 1 1 A 12 12 ASP H H 42 9.025 8.390 0.635 1
1 135 . 23 1 1 A 12 12 ASP HA H 42 4.045 4.221 -0.176 1
1 138 . 23 1 1 A 12 12 ASP C C 42 176.536 178.621 -2.085 1
1 139 . 23 1 1 A 12 12 ASP CA C 42 58.740 58.012 0.728 1
1 140 . 23 1 1 A 12 12 ASP CB C 42 44.783 42.300 2.483 1
1 141 . 23 1 1 A 12 12 ASP N N 42 119.776 119.191 0.585 1
1 142 . 23 1 1 A 13 13 GLU H H 43 7.253 8.438 -1.185 1
1 143 . 23 1 1 A 13 13 GLU HA H 43 3.869 4.055 -0.186 1
1 148 . 23 1 1 A 13 13 GLU C C 43 178.916 178.578 0.338 1
1 149 . 23 1 1 A 13 13 GLU CA C 43 59.511 59.252 0.259 1
1 150 . 23 1 1 A 13 13 GLU CB C 43 30.131 29.135 0.996 1
1 152 . 23 1 1 A 13 13 GLU N N 43 116.304 118.803 -2.499 1
1 153 . 23 1 1 A 14 14 ARG H H 44 7.234 7.303 -0.069 1
1 154 . 23 1 1 A 14 14 ARG HA H 44 3.920 4.066 -0.146 1
1 163 . 23 1 1 A 14 14 ARG C C 44 177.609 178.548 -0.939 1
1 164 . 23 1 1 A 14 14 ARG CA C 44 58.607 58.614 -0.007 1
1 165 . 23 1 1 A 14 14 ARG CB C 44 30.304 29.957 0.347 1
1 168 . 23 1 1 A 14 14 ARG N N 44 118.267 120.224 -1.957 1
1 171 . 23 1 1 A 15 15 LEU H H 45 8.734 8.551 0.183 1
1 172 . 23 1 1 A 15 15 LEU HA H 45 3.809 3.775 0.034 1
1 182 . 23 1 1 A 15 15 LEU C C 45 179.204 179.306 -0.102 1
1 183 . 23 1 1 A 15 15 LEU CA C 45 58.248 57.962 0.286 1
1 184 . 23 1 1 A 15 15 LEU CB C 45 42.076 41.627 0.449 1
1 188 . 23 1 1 A 15 15 LEU N N 45 117.856 119.490 -1.634 1
1 189 . 23 1 1 A 16 16 ARG H H 46 8.280 8.407 -0.127 1
1 190 . 23 1 1 A 16 16 ARG HA H 46 3.863 4.123 -0.260 1
1 200 . 23 1 1 A 16 16 ARG C C 46 179.432 179.063 0.369 1
1 201 . 23 1 1 A 16 16 ARG CA C 46 60.779 58.970 1.809 1
1 202 . 23 1 1 A 16 16 ARG CB C 46 29.824 29.686 0.138 1
1 205 . 23 1 1 A 16 16 ARG N N 46 115.954 119.378 -3.424 1
1 209 . 23 1 1 A 17 17 ASN H H 47 7.433 7.699 -0.266 1
1 210 . 23 1 1 A 17 17 ASN HA H 47 4.458 4.572 -0.114 1
1 215 . 23 1 1 A 17 17 ASN C C 47 177.657 178.208 -0.551 1
1 216 . 23 1 1 A 17 17 ASN CA C 47 56.297 56.130 0.167 1
1 217 . 23 1 1 A 17 17 ASN CB C 47 38.540 38.418 0.122 1
1 219 . 23 1 1 A 17 17 ASN N N 47 118.514 117.584 0.930 1
1 221 . 23 1 1 A 18 18 TYR H H 48 8.945 8.529 0.416 1
1 222 . 23 1 1 A 18 18 TYR HA H 48 4.184 4.319 -0.135 1
1 229 . 23 1 1 A 18 18 TYR C C 48 177.806 178.380 -0.574 1
1 230 . 23 1 1 A 18 18 TYR CA C 48 58.651 60.713 -2.062 1
1 231 . 23 1 1 A 18 18 TYR CB C 48 36.527 37.622 -1.095 1
1 234 . 23 1 1 A 18 18 TYR N N 48 121.714 119.337 2.377 1
1 235 . 23 1 1 A 19 19 LEU H H 49 8.293 8.488 -0.195 1
1 236 . 23 1 1 A 19 19 LEU HA H 49 3.410 3.713 -0.303 1
1 246 . 23 1 1 A 19 19 LEU C C 49 179.153 179.330 -0.177 1
1 247 . 23 1 1 A 19 19 LEU CA C 49 57.822 58.226 -0.404 1
1 248 . 23 1 1 A 19 19 LEU CB C 49 41.929 41.368 0.561 1
1 252 . 23 1 1 A 19 19 LEU N N 49 119.284 120.337 -1.053 1
1 253 . 23 1 1 A 20 20 LYS H H 50 7.322 7.924 -0.602 1
1 254 . 23 1 1 A 20 20 LYS HA H 50 3.893 3.957 -0.064 1
1 263 . 23 1 1 A 20 20 LYS C C 50 177.980 179.817 -1.837 1
1 264 . 23 1 1 A 20 20 LYS CA C 50 59.104 59.807 -0.703 1
1 265 . 23 1 1 A 20 20 LYS CB C 50 32.348 32.161 0.187 1
1 269 . 23 1 1 A 20 20 LYS N N 50 117.005 118.516 -1.511 1
1 270 . 23 1 1 A 21 21 LYS H H 51 7.435 7.871 -0.436 1
1 271 . 23 1 1 A 21 21 LYS HA H 51 4.080 4.012 0.068 1
1 280 . 23 1 1 A 21 21 LYS C C 51 178.971 178.235 0.736 1
1 281 . 23 1 1 A 21 21 LYS CA C 51 57.418 59.026 -1.608 1
1 282 . 23 1 1 A 21 21 LYS CB C 51 32.675 32.292 0.383 1
1 286 . 23 1 1 A 21 21 LYS N N 51 115.946 119.207 -3.261 1
1 287 . 23 1 1 A 22 22 GLY H H 52 8.290 8.012 0.278 1
1 288 . 23 1 1 A 22 22 GLY HA2 H 52 3.897 3.984 -0.087 1
1 289 . 23 1 1 A 22 22 GLY HA3 H 52 4.181 4.036 0.145 1
1 290 . 23 1 1 A 22 22 GLY C C 52 173.610 173.862 -0.252 1
1 291 . 23 1 1 A 22 22 GLY CA C 52 45.088 45.269 -0.181 1
1 292 . 23 1 1 A 22 22 GLY N N 52 105.432 107.814 -2.382 1
1 293 . 23 1 1 A 23 23 THR H H 53 7.148 7.368 -0.220 1
1 294 . 23 1 1 A 23 23 THR HA H 53 4.838 4.622 0.216 1
1 300 . 23 1 1 A 23 23 THR C C 53 174.444 174.505 -0.061 1
1 301 . 23 1 1 A 23 23 THR CA C 53 59.766 59.285 0.481 1
1 302 . 23 1 1 A 23 23 THR CB C 53 72.471 72.458 0.013 1
1 304 . 23 1 1 A 23 23 THR N N 53 107.608 110.905 -3.297 1
1 305 . 23 1 1 A 24 24 LYS H H 54 8.414 8.478 -0.064 1
1 306 . 23 1 1 A 24 24 LYS HA H 54 4.355 4.110 0.245 1
1 315 . 23 1 1 A 24 24 LYS C C 54 177.632 177.073 0.559 1
1 316 . 23 1 1 A 24 24 LYS CA C 54 57.393 58.362 -0.969 1
1 317 . 23 1 1 A 24 24 LYS CB C 54 32.806 32.879 -0.073 1
1 321 . 23 1 1 A 24 24 LYS N N 54 118.924 120.011 -1.087 1
1 322 . 23 1 1 A 25 25 ASN H H 55 7.823 7.872 -0.049 1
1 323 . 23 1 1 A 25 25 ASN HA H 55 4.992 4.856 0.136 1
1 328 . 23 1 1 A 25 25 ASN C C 55 174.882 175.178 -0.296 1
1 329 . 23 1 1 A 25 25 ASN CA C 55 51.540 52.791 -1.251 1
1 330 . 23 1 1 A 25 25 ASN CB C 55 38.209 39.701 -1.492 1
1 332 . 23 1 1 A 25 25 ASN N N 55 116.576 115.320 1.256 1
1 334 . 23 1 1 A 26 26 SER H H 56 8.557 8.970 -0.413 1
1 335 . 23 1 1 A 26 26 SER HA H 56 4.145 4.285 -0.140 1
1 338 . 23 1 1 A 26 26 SER C C 56 176.886 176.170 0.716 1
1 339 . 23 1 1 A 26 26 SER CA C 56 61.051 61.333 -0.282 1
1 340 . 23 1 1 A 26 26 SER CB C 56 62.398 62.726 -0.328 1
1 341 . 23 1 1 A 26 26 SER N N 56 118.968 121.096 -2.128 1
1 342 . 23 1 1 A 27 27 ALA H H 57 8.133 7.962 0.171 1
1 343 . 23 1 1 A 27 27 ALA HA H 57 4.277 4.281 -0.004 1
1 347 . 23 1 1 A 27 27 ALA C C 57 177.779 178.041 -0.262 1
1 348 . 23 1 1 A 27 27 ALA CA C 57 54.020 53.554 0.466 1
1 349 . 23 1 1 A 27 27 ALA CB C 57 18.258 18.333 -0.075 1
1 350 . 23 1 1 A 27 27 ALA N N 57 125.334 122.574 2.760 1
1 351 . 23 1 1 A 28 28 GLN H H 58 7.113 8.100 -0.987 1
1 352 . 23 1 1 A 28 28 GLN HA H 58 4.262 4.213 0.049 1
1 359 . 23 1 1 A 28 28 GLN C C 58 174.984 175.823 -0.839 1
1 360 . 23 1 1 A 28 28 GLN CA C 58 56.272 56.489 -0.217 1
1 361 . 23 1 1 A 28 28 GLN CB C 58 28.627 28.113 0.514 1
1 364 . 23 1 1 A 28 28 GLN N N 58 112.472 114.400 -1.928 1
1 366 . 23 1 1 A 29 29 PHE H H 59 7.361 7.542 -0.181 1
1 367 . 23 1 1 A 29 29 PHE HA H 59 4.622 4.692 -0.070 1
1 375 . 23 1 1 A 29 29 PHE C C 59 173.987 175.907 -1.920 1
1 376 . 23 1 1 A 29 29 PHE CA C 59 59.534 58.681 0.853 1
1 377 . 23 1 1 A 29 29 PHE CB C 59 38.939 40.304 -1.365 1
1 381 . 23 1 1 A 29 29 PHE N N 59 118.258 119.650 -1.392 1
1 382 . 23 1 1 A 30 30 GLU H H 60 9.228 9.218 0.010 1
1 383 . 23 1 1 A 30 30 GLU HA H 60 4.479 4.877 -0.398 1
1 388 . 23 1 1 A 30 30 GLU C C 60 176.282 175.711 0.571 1
1 389 . 23 1 1 A 30 30 GLU CA C 60 57.063 56.538 0.525 1
1 390 . 23 1 1 A 30 30 GLU CB C 60 33.512 32.122 1.390 1
1 392 . 23 1 1 A 30 30 GLU N N 60 125.247 118.842 6.405 1
1 393 . 23 1 1 A 31 31 LYS H H 61 7.998 7.623 0.375 1
1 394 . 23 1 1 A 31 31 LYS HA H 61 5.074 4.673 0.401 1
1 403 . 23 1 1 A 31 31 LYS C C 61 172.325 174.435 -2.110 1
1 404 . 23 1 1 A 31 31 LYS CA C 61 54.881 55.086 -0.205 1
1 405 . 23 1 1 A 31 31 LYS CB C 61 35.683 35.130 0.553 1
1 409 . 23 1 1 A 31 31 LYS N N 61 113.709 117.298 -3.589 1
1 410 . 23 1 1 A 32 32 MET H H 62 9.051 9.166 -0.115 1
1 411 . 23 1 1 A 32 32 MET HA H 62 5.630 5.304 0.326 1
1 419 . 23 1 1 A 32 32 MET C C 62 172.898 174.135 -1.237 1
1 420 . 23 1 1 A 32 32 MET CA C 62 53.043 53.153 -0.110 1
1 421 . 23 1 1 A 32 32 MET CB C 62 35.214 35.573 -0.359 1
1 424 . 23 1 1 A 32 32 MET N N 62 118.635 117.242 1.393 1
1 425 . 23 1 1 A 33 33 VAL H H 63 9.186 8.885 0.301 1
1 426 . 23 1 1 A 33 33 VAL HA H 63 4.700 4.869 -0.169 1
1 434 . 23 1 1 A 33 33 VAL C C 63 174.133 173.757 0.376 1
1 435 . 23 1 1 A 33 33 VAL CA C 63 61.351 60.113 1.238 1
1 436 . 23 1 1 A 33 33 VAL CB C 63 34.651 34.738 -0.087 1
1 439 . 23 1 1 A 33 33 VAL N N 63 122.441 118.575 3.866 1
1 440 . 23 1 1 A 34 34 ILE H H 64 9.244 9.208 0.036 1
1 441 . 23 1 1 A 34 34 ILE HA H 64 4.302 4.858 -0.556 1
1 451 . 23 1 1 A 34 34 ILE C C 64 174.924 175.348 -0.424 1
1 452 . 23 1 1 A 34 34 ILE CA C 64 60.422 59.987 0.435 1
1 453 . 23 1 1 A 34 34 ILE CB C 64 41.255 39.772 1.483 1
1 457 . 23 1 1 A 34 34 ILE N N 64 127.876 129.664 -1.788 1
1 458 . 23 1 1 A 35 35 LEU H H 65 9.117 9.324 -0.207 1
1 459 . 23 1 1 A 35 35 LEU HA H 65 5.531 5.610 -0.079 1
1 469 . 23 1 1 A 35 35 LEU C C 65 178.538 176.360 2.178 1
1 470 . 23 1 1 A 35 35 LEU CA C 65 53.047 53.156 -0.109 1
1 471 . 23 1 1 A 35 35 LEU CB C 65 43.797 43.647 0.150 1
1 475 . 23 1 1 A 35 35 LEU N N 65 125.572 127.294 -1.722 1
1 476 . 23 1 1 A 36 36 THR H H 66 8.634 8.870 -0.236 1
1 477 . 23 1 1 A 36 36 THR HA H 66 5.212 5.306 -0.094 1
1 482 . 23 1 1 A 36 36 THR C C 66 174.918 174.669 0.249 1
1 483 . 23 1 1 A 36 36 THR CA C 66 59.374 59.623 -0.249 1
1 484 . 23 1 1 A 36 36 THR CB C 66 72.100 71.555 0.545 1
1 486 . 23 1 1 A 36 36 THR N N 66 112.840 115.383 -2.543 1
1 487 . 23 1 1 A 37 37 GLU H H 67 8.580 8.640 -0.060 1
1 488 . 23 1 1 A 37 37 GLU HA H 67 4.469 4.169 0.300 1
1 493 . 23 1 1 A 37 37 GLU C C 67 177.333 176.889 0.444 1
1 494 . 23 1 1 A 37 37 GLU CA C 67 57.348 56.343 1.005 1
1 495 . 23 1 1 A 37 37 GLU CB C 67 31.357 30.555 0.802 1
1 497 . 23 1 1 A 37 37 GLU N N 67 118.675 121.488 -2.813 1
1 498 . 23 1 1 A 38 38 ASN H H 68 8.580 9.370 -0.790 1
1 499 . 23 1 1 A 38 38 ASN HA H 68 3.768 4.608 -0.840 1
1 504 . 23 1 1 A 38 38 ASN C C 68 172.921 174.608 -1.687 1
1 505 . 23 1 1 A 38 38 ASN CA C 68 54.686 54.680 0.006 1
1 506 . 23 1 1 A 38 38 ASN CB C 68 36.511 37.118 -0.607 1
1 508 . 23 1 1 A 38 38 ASN N N 68 114.341 117.351 -3.010 1
1 510 . 23 1 1 A 39 39 LYS H H 69 7.891 8.676 -0.785 1
1 511 . 23 1 1 A 39 39 LYS HA H 69 3.936 3.813 0.123 1
1 520 . 23 1 1 A 39 39 LYS C C 69 177.032 176.235 0.797 1
1 521 . 23 1 1 A 39 39 LYS CA C 69 56.758 57.580 -0.822 1
1 522 . 23 1 1 A 39 39 LYS CB C 69 28.099 29.709 -1.610 1
1 526 . 23 1 1 A 39 39 LYS N N 69 107.932 109.696 -1.764 1
1 527 . 23 1 1 A 40 40 GLY H H 70 6.998 7.695 -0.697 1
1 528 . 23 1 1 A 40 40 GLY HA2 H 70 4.362 3.903 0.459 1
1 529 . 23 1 1 A 40 40 GLY HA3 H 70 3.875 4.106 -0.231 1
1 530 . 23 1 1 A 40 40 GLY C C 70 173.763 172.369 1.394 1
1 531 . 23 1 1 A 40 40 GLY CA C 70 46.628 45.737 0.891 1
1 532 . 23 1 1 A 40 40 GLY N N 70 107.011 107.434 -0.423 1
1 533 . 23 1 1 A 41 41 TYR H H 71 7.679 8.422 -0.743 1
1 534 . 23 1 1 A 41 41 TYR HA H 71 5.097 5.387 -0.290 1
1 541 . 23 1 1 A 41 41 TYR C C 71 174.452 172.707 1.745 1
1 542 . 23 1 1 A 41 41 TYR CA C 71 57.730 56.948 0.782 1
1 543 . 23 1 1 A 41 41 TYR CB C 71 40.474 41.928 -1.454 1
1 546 . 23 1 1 A 41 41 TYR N N 71 129.822 123.642 6.180 1
1 547 . 23 1 1 A 42 42 TYR H H 72 9.101 8.793 0.308 1
1 548 . 23 1 1 A 42 42 TYR HA H 72 4.875 5.105 -0.230 1
1 555 . 23 1 1 A 42 42 TYR C C 72 174.448 173.924 0.524 1
1 556 . 23 1 1 A 42 42 TYR CA C 72 56.114 56.273 -0.159 1
1 557 . 23 1 1 A 42 42 TYR CB C 72 41.115 40.962 0.153 1
1 560 . 23 1 1 A 42 42 TYR N N 72 126.527 126.938 -0.411 1
1 561 . 23 1 1 A 43 43 THR H H 73 9.022 9.030 -0.008 1
1 562 . 23 1 1 A 43 43 THR HA H 73 4.876 4.942 -0.066 1
1 567 . 23 1 1 A 43 43 THR C C 73 174.791 173.705 1.086 1
1 568 . 23 1 1 A 43 43 THR CA C 73 62.821 61.353 1.468 1
1 569 . 23 1 1 A 43 43 THR CB C 73 68.769 70.147 -1.378 1
1 571 . 23 1 1 A 43 43 THR N N 73 120.810 119.803 1.007 1
1 572 . 23 1 1 A 44 44 VAL H H 74 9.233 8.638 0.595 1
1 573 . 23 1 1 A 44 44 VAL HA H 74 4.427 4.701 -0.274 1
1 581 . 23 1 1 A 44 44 VAL C C 74 175.094 174.314 0.780 1
1 582 . 23 1 1 A 44 44 VAL CA C 74 61.457 60.873 0.584 1
1 583 . 23 1 1 A 44 44 VAL CB C 74 35.669 35.717 -0.048 1
1 586 . 23 1 1 A 44 44 VAL N N 74 129.156 127.218 1.938 1
1 587 . 23 1 1 A 45 45 TYR H H 75 9.384 9.042 0.342 1
1 588 . 23 1 1 A 45 45 TYR HA H 75 4.528 4.780 -0.252 1
1 595 . 23 1 1 A 45 45 TYR C C 75 176.497 175.704 0.793 1
1 596 . 23 1 1 A 45 45 TYR CA C 75 59.843 57.812 2.031 1
1 597 . 23 1 1 A 45 45 TYR CB C 75 38.245 39.637 -1.392 1
1 600 . 23 1 1 A 45 45 TYR N N 75 128.465 126.656 1.809 1
1 601 . 23 1 1 A 46 46 LEU H H 76 8.524 9.080 -0.556 1
1 602 . 23 1 1 A 46 46 LEU HA H 76 4.528 4.675 -0.147 1
1 612 . 23 1 1 A 46 46 LEU C C 76 177.001 178.067 -1.066 1
1 613 . 23 1 1 A 46 46 LEU CA C 76 55.010 54.691 0.319 1
1 614 . 23 1 1 A 46 46 LEU CB C 76 42.094 42.651 -0.557 1
1 618 . 23 1 1 A 46 46 LEU N N 76 119.547 124.482 -4.935 1
1 619 . 23 1 1 A 47 47 ASN H H 77 8.599 8.346 0.253 1
1 620 . 23 1 1 A 47 47 ASN HA H 77 4.618 4.665 -0.047 1
1 625 . 23 1 1 A 47 47 ASN C C 77 173.844 175.638 -1.794 1
1 626 . 23 1 1 A 47 47 ASN CA C 77 54.045 55.735 -1.690 1
1 627 . 23 1 1 A 47 47 ASN CB C 77 37.058 39.529 -2.471 1
1 629 . 23 1 1 A 47 47 ASN N N 77 116.407 115.917 0.490 1
1 631 . 23 1 1 A 48 48 THR H H 78 7.429 7.656 -0.227 1
1 632 . 23 1 1 A 48 48 THR HA H 78 4.803 5.050 -0.247 1
1 637 . 23 1 1 A 48 48 THR C C 78 175.201 171.732 3.469 1
1 638 . 23 1 1 A 48 48 THR CA C 78 58.577 58.809 -0.232 1
1 639 . 23 1 1 A 48 48 THR CB C 78 70.494 70.542 -0.048 1
1 641 . 23 1 1 A 48 48 THR N N 78 111.551 108.754 2.797 1
1 642 . 23 1 1 A 49 49 PRO HA H 79 4.462 4.523 -0.061 1
1 649 . 23 1 1 A 49 49 PRO C C 79 176.670 177.219 -0.549 1
1 650 . 23 1 1 A 49 49 PRO CA C 79 62.384 62.928 -0.544 1
1 651 . 23 1 1 A 49 49 PRO CB C 79 32.205 32.019 0.186 1
1 654 . 23 1 1 A 50 50 LEU H H 80 9.049 8.300 0.749 1
1 655 . 23 1 1 A 50 50 LEU HA H 80 4.081 4.346 -0.265 1
1 665 . 23 1 1 A 50 50 LEU C C 80 176.758 176.675 0.083 1
1 666 . 23 1 1 A 50 50 LEU CA C 80 55.315 53.884 1.431 1
1 667 . 23 1 1 A 50 50 LEU CB C 80 41.915 43.010 -1.095 1
1 671 . 23 1 1 A 50 50 LEU N N 80 126.341 119.206 7.135 1
1 672 . 23 1 1 A 51 51 ALA H H 81 8.415 9.022 -0.607 1
1 673 . 23 1 1 A 51 51 ALA HA H 81 4.187 4.413 -0.226 1
1 677 . 23 1 1 A 51 51 ALA C C 81 179.005 178.395 0.610 1
1 678 . 23 1 1 A 51 51 ALA CA C 81 52.851 52.329 0.522 1
1 679 . 23 1 1 A 51 51 ALA CB C 81 19.625 19.384 0.241 1
1 680 . 23 1 1 A 51 51 ALA N N 81 129.745 123.244 6.501 1
1 681 . 23 1 1 A 52 52 GLU H H 82 8.739 9.073 -0.334 1
1 682 . 23 1 1 A 52 52 GLU HA H 82 3.815 3.978 -0.163 1
1 687 . 23 1 1 A 52 52 GLU C C 82 178.591 178.255 0.336 1
1 688 . 23 1 1 A 52 52 GLU CA C 82 59.566 59.543 0.023 1
1 689 . 23 1 1 A 52 52 GLU CB C 82 29.774 29.322 0.452 1
1 691 . 23 1 1 A 52 52 GLU N N 82 121.424 120.666 0.758 1
1 692 . 23 1 1 A 53 53 ASP H H 83 8.511 8.277 0.234 1
1 693 . 23 1 1 A 53 53 ASP HA H 83 4.427 4.431 -0.004 1
1 696 . 23 1 1 A 53 53 ASP C C 83 177.306 179.134 -1.828 1
1 697 . 23 1 1 A 53 53 ASP CA C 83 55.398 56.594 -1.196 1
1 698 . 23 1 1 A 53 53 ASP CB C 83 39.430 40.290 -0.860 1
1 699 . 23 1 1 A 53 53 ASP N N 83 114.043 120.027 -5.984 1
1 700 . 23 1 1 A 54 54 ARG H H 84 7.800 7.585 0.215 1
1 701 . 23 1 1 A 54 54 ARG HA H 84 4.527 4.174 0.353 1
1 710 . 23 1 1 A 54 54 ARG C C 84 176.966 179.419 -2.453 1
1 711 . 23 1 1 A 54 54 ARG CA C 84 55.915 59.075 -3.160 1
1 712 . 23 1 1 A 54 54 ARG CB C 84 31.804 29.659 2.145 1
1 715 . 23 1 1 A 54 54 ARG N N 84 118.147 120.766 -2.619 1
1 718 . 23 1 1 A 55 55 LYS H H 85 7.335 7.959 -0.624 1
1 719 . 23 1 1 A 55 55 LYS HA H 85 3.551 4.134 -0.583 1
1 728 . 23 1 1 A 55 55 LYS C C 85 178.113 177.281 0.832 1
1 729 . 23 1 1 A 55 55 LYS CA C 85 59.887 58.593 1.294 1
1 730 . 23 1 1 A 55 55 LYS CB C 85 32.935 32.240 0.695 1
1 734 . 23 1 1 A 55 55 LYS N N 85 116.576 119.203 -2.627 1
1 735 . 23 1 1 A 56 56 ASN H H 86 8.347 7.803 0.544 1
1 736 . 23 1 1 A 56 56 ASN HA H 86 4.886 5.023 -0.137 1
1 741 . 23 1 1 A 56 56 ASN C C 86 174.736 174.691 0.045 1
1 742 . 23 1 1 A 56 56 ASN CA C 86 52.265 52.851 -0.586 1
1 743 . 23 1 1 A 56 56 ASN CB C 86 38.239 39.888 -1.649 1
1 745 . 23 1 1 A 56 56 ASN N N 86 114.341 115.334 -0.993 1
1 747 . 23 1 1 A 57 57 VAL H H 87 6.985 7.065 -0.080 1
1 748 . 23 1 1 A 57 57 VAL HA H 87 3.746 4.269 -0.523 1
1 756 . 23 1 1 A 57 57 VAL C C 87 175.380 175.972 -0.592 1
1 757 . 23 1 1 A 57 57 VAL CA C 87 63.723 62.192 1.531 1
1 758 . 23 1 1 A 57 57 VAL CB C 87 32.650 32.960 -0.310 1
1 761 . 23 1 1 A 57 57 VAL N N 87 121.424 121.305 0.119 1
1 762 . 23 1 1 A 58 58 GLU H H 88 8.777 8.540 0.237 1
1 763 . 23 1 1 A 58 58 GLU HA H 88 4.339 4.750 -0.411 1
1 768 . 23 1 1 A 58 58 GLU C C 88 176.364 176.214 0.150 1
1 769 . 23 1 1 A 58 58 GLU CA C 88 56.085 56.345 -0.260 1
1 770 . 23 1 1 A 58 58 GLU CB C 88 29.861 31.187 -1.326 1
1 772 . 23 1 1 A 58 58 GLU N N 88 129.489 127.047 2.442 1
1 773 . 23 1 1 A 59 59 LEU H H 89 8.230 9.089 -0.859 1
1 774 . 23 1 1 A 59 59 LEU HA H 89 4.299 4.427 -0.128 1
1 784 . 23 1 1 A 59 59 LEU C C 89 178.976 176.480 2.496 1
1 785 . 23 1 1 A 59 59 LEU CA C 89 54.651 54.180 0.471 1
1 786 . 23 1 1 A 59 59 LEU CB C 89 42.596 41.765 0.831 1
1 790 . 23 1 1 A 59 59 LEU N N 89 124.395 123.899 0.496 1
1 791 . 23 1 1 A 60 60 LEU H H 90 7.777 9.315 -1.538 1
1 792 . 23 1 1 A 60 60 LEU HA H 90 4.135 4.202 -0.067 1
1 802 . 23 1 1 A 60 60 LEU C C 90 176.394 176.928 -0.534 1
1 803 . 23 1 1 A 60 60 LEU CA C 90 56.754 56.768 -0.014 1
1 804 . 23 1 1 A 60 60 LEU CB C 90 42.413 42.624 -0.211 1
1 808 . 23 1 1 A 60 60 LEU N N 90 119.734 126.345 -6.611 1
1 809 . 23 1 1 A 61 61 GLY H H 91 7.224 7.509 -0.285 1
1 810 . 23 1 1 A 61 61 GLY HA2 H 91 4.165 4.096 0.069 1
1 811 . 23 1 1 A 61 61 GLY HA3 H 91 3.899 4.116 -0.217 1
1 812 . 23 1 1 A 61 61 GLY C C 91 171.742 172.479 -0.737 1
1 813 . 23 1 1 A 61 61 GLY CA C 91 44.969 45.680 -0.711 1
1 814 . 23 1 1 A 61 61 GLY N N 91 103.707 104.730 -1.023 1
1 815 . 23 1 1 A 62 62 LYS H H 92 8.771 8.629 0.142 1
1 816 . 23 1 1 A 62 62 LYS HA H 92 4.150 4.402 -0.252 1
1 825 . 23 1 1 A 62 62 LYS C C 92 177.522 175.965 1.557 1
1 826 . 23 1 1 A 62 62 LYS CA C 92 56.750 56.231 0.519 1
1 827 . 23 1 1 A 62 62 LYS CB C 92 33.835 33.320 0.515 1
1 831 . 23 1 1 A 62 62 LYS N N 92 118.635 120.900 -2.265 1
1 832 . 23 1 1 A 63 63 MET H H 93 9.188 8.397 0.791 1
1 833 . 23 1 1 A 63 63 MET HA H 93 3.835 4.545 -0.710 1
1 841 . 23 1 1 A 63 63 MET C C 93 173.913 175.736 -1.823 1
1 842 . 23 1 1 A 63 63 MET CA C 93 59.275 53.989 5.286 1
1 843 . 23 1 1 A 63 63 MET CB C 93 31.483 31.185 0.298 1
1 846 . 23 1 1 A 63 63 MET N N 93 123.413 124.586 -1.173 1
1 847 . 23 1 1 A 64 64 TYR H H 94 9.421 8.482 0.939 1
1 848 . 23 1 1 A 64 64 TYR HA H 94 4.767 4.221 0.546 1
1 855 . 23 1 1 A 64 64 TYR C C 94 173.918 175.034 -1.116 1
1 856 . 23 1 1 A 64 64 TYR CA C 94 56.933 61.520 -4.587 1
1 857 . 23 1 1 A 64 64 TYR CB C 94 40.020 39.090 0.930 1
1 860 . 23 1 1 A 64 64 TYR N N 94 129.403 125.909 3.494 1
1 861 . 23 1 1 A 65 65 LYS H H 95 7.289 7.479 -0.190 1
1 862 . 23 1 1 A 65 65 LYS HA H 95 4.688 4.735 -0.047 1
1 871 . 23 1 1 A 65 65 LYS C C 95 175.000 174.132 0.868 1
1 872 . 23 1 1 A 65 65 LYS CA C 95 55.841 55.478 0.363 1
1 873 . 23 1 1 A 65 65 LYS CB C 95 40.404 35.904 4.500 1
1 877 . 23 1 1 A 65 65 LYS N N 95 118.804 117.982 0.822 1
1 878 . 23 1 1 A 66 66 THR H H 96 8.727 8.168 0.559 1
1 879 . 23 1 1 A 66 66 THR HA H 96 5.149 5.206 -0.057 1
1 885 . 23 1 1 A 66 66 THR C C 96 172.120 172.674 -0.554 1
1 886 . 23 1 1 A 66 66 THR CA C 96 62.226 60.575 1.651 1
1 887 . 23 1 1 A 66 66 THR CB C 96 71.787 71.955 -0.168 1
1 889 . 23 1 1 A 66 66 THR N N 96 116.235 117.620 -1.385 1
1 890 . 23 1 1 A 67 67 TYR H H 97 8.969 8.928 0.041 1
1 891 . 23 1 1 A 67 67 TYR HA H 97 5.027 5.142 -0.115 1
1 898 . 23 1 1 A 67 67 TYR C C 97 175.077 174.646 0.431 1
1 899 . 23 1 1 A 67 67 TYR CA C 97 57.278 56.572 0.706 1
1 900 . 23 1 1 A 67 67 TYR CB C 97 42.054 42.462 -0.408 1
1 903 . 23 1 1 A 67 67 TYR N N 97 125.256 124.207 1.049 1
1 904 . 23 1 1 A 68 68 PHE H H 98 9.189 8.782 0.407 1
1 905 . 23 1 1 A 68 68 PHE HA H 98 5.177 5.076 0.101 1
1 913 . 23 1 1 A 68 68 PHE C C 98 174.791 174.568 0.223 1
1 914 . 23 1 1 A 68 68 PHE CA C 98 57.825 56.404 1.421 1
1 915 . 23 1 1 A 68 68 PHE CB C 98 42.377 43.296 -0.919 1
1 919 . 23 1 1 A 68 68 PHE N N 98 118.574 120.018 -1.444 1
1 920 . 23 1 1 A 69 69 PHE H H 99 8.976 9.423 -0.447 1
1 921 . 23 1 1 A 69 69 PHE HA H 99 4.893 5.248 -0.355 1
1 929 . 23 1 1 A 69 69 PHE C C 99 176.386 175.531 0.855 1
1 930 . 23 1 1 A 69 69 PHE CA C 99 56.777 56.268 0.509 1
1 931 . 23 1 1 A 69 69 PHE CB C 99 41.371 42.456 -1.085 1
1 935 . 23 1 1 A 69 69 PHE N N 99 119.573 120.059 -0.486 1
1 936 . 23 1 1 A 70 70 LYS H H 100 9.479 8.661 0.818 1
1 937 . 23 1 1 A 70 70 LYS HA H 100 4.533 4.495 0.038 1
1 946 . 23 1 1 A 70 70 LYS C C 100 176.156 177.513 -1.357 1
1 947 . 23 1 1 A 70 70 LYS CA C 100 56.706 55.945 0.761 1
1 948 . 23 1 1 A 70 70 LYS CB C 100 33.667 33.209 0.458 1
1 952 . 23 1 1 A 70 70 LYS N N 100 125.614 123.545 2.069 1
1 953 . 23 1 1 A 71 71 LYS H H 101 8.068 8.925 -0.857 1
1 954 . 23 1 1 A 71 71 LYS HA H 101 4.188 4.297 -0.109 1
1 963 . 23 1 1 A 71 71 LYS C C 101 177.655 176.856 0.799 1
1 964 . 23 1 1 A 71 71 LYS CA C 101 58.238 56.247 1.991 1
1 965 . 23 1 1 A 71 71 LYS CB C 101 32.342 31.505 0.837 1
1 969 . 23 1 1 A 71 71 LYS N N 101 121.057 120.552 0.505 1
1 970 . 23 1 1 A 72 72 GLY H H 102 8.899 8.155 0.744 1
1 971 . 23 1 1 A 72 72 GLY HA2 H 102 4.196 4.083 0.113 1
1 972 . 23 1 1 A 72 72 GLY HA3 H 102 3.815 4.094 -0.279 1
1 973 . 23 1 1 A 72 72 GLY C C 102 173.997 173.701 0.296 1
1 974 . 23 1 1 A 72 72 GLY CA C 102 45.802 45.112 0.690 1
1 975 . 23 1 1 A 72 72 GLY N N 102 114.112 108.018 6.094 1
1 976 . 23 1 1 A 73 73 GLU H H 103 8.047 7.902 0.145 1
1 977 . 23 1 1 A 73 73 GLU HA H 103 4.764 4.971 -0.207 1
1 982 . 23 1 1 A 73 73 GLU C C 103 175.975 175.550 0.425 1
1 983 . 23 1 1 A 73 73 GLU CA C 103 56.295 54.607 1.688 1
1 984 . 23 1 1 A 73 73 GLU CB C 103 31.153 33.730 -2.577 1
1 986 . 23 1 1 A 73 73 GLU N N 103 119.538 120.195 -0.657 1
1 987 . 23 1 1 A 74 74 SER H H 104 8.742 9.075 -0.333 1
1 988 . 23 1 1 A 74 74 SER HA H 104 4.598 4.809 -0.211 1
1 991 . 23 1 1 A 74 74 SER C C 104 171.916 173.317 -1.401 1
1 992 . 23 1 1 A 74 74 SER CA C 104 58.363 58.096 0.267 1
1 993 . 23 1 1 A 74 74 SER CB C 104 64.025 64.797 -0.772 1
1 994 . 23 1 1 A 74 74 SER N N 104 115.383 116.735 -1.352 1
1 995 . 23 1 1 A 75 75 LYS H H 105 7.608 7.580 0.028 1
1 996 . 23 1 1 A 75 75 LYS HA H 105 5.588 5.207 0.381 1
1 1005 . 23 1 1 A 75 75 LYS C C 105 176.017 174.970 1.047 1
1 1006 . 23 1 1 A 75 75 LYS CA C 105 54.548 54.776 -0.228 1
1 1007 . 23 1 1 A 75 75 LYS CB C 105 35.211 36.019 -0.808 1
1 1011 . 23 1 1 A 75 75 LYS N N 105 121.040 122.861 -1.821 1
1 1012 . 23 1 1 A 76 76 SER H H 106 8.231 9.013 -0.782 1
1 1013 . 23 1 1 A 76 76 SER HA H 106 3.377 4.435 -1.058 1
1 1016 . 23 1 1 A 76 76 SER C C 106 172.571 174.704 -2.133 1
1 1017 . 23 1 1 A 76 76 SER CA C 106 59.650 58.545 1.105 1
1 1018 . 23 1 1 A 76 76 SER CB C 106 64.857 63.386 1.471 1
1 1019 . 23 1 1 A 76 76 SER N N 106 121.783 121.614 0.169 1
1 1020 . 23 1 1 A 77 77 SER H H 107 8.333 8.431 -0.098 1
1 1021 . 23 1 1 A 77 77 SER HA H 107 5.025 4.866 0.159 1
1 1024 . 23 1 1 A 77 77 SER C C 107 174.507 173.464 1.043 1
1 1025 . 23 1 1 A 77 77 SER CA C 107 57.561 58.223 -0.662 1
1 1026 . 23 1 1 A 77 77 SER CB C 107 65.330 65.005 0.325 1
1 1027 . 23 1 1 A 77 77 SER N N 107 106.276 119.580 -13.304 1
1 1028 . 23 1 1 A 78 78 TYR H H 108 7.825 7.328 0.497 1
1 1029 . 23 1 1 A 78 78 TYR HA H 108 4.754 4.790 -0.036 1
1 1036 . 23 1 1 A 78 78 TYR C C 108 171.725 173.511 -1.786 1
1 1037 . 23 1 1 A 78 78 TYR CA C 108 57.778 57.085 0.693 1
1 1038 . 23 1 1 A 78 78 TYR CB C 108 43.223 41.940 1.283 1
1 1041 . 23 1 1 A 78 78 TYR N N 108 126.289 121.596 4.693 1
1 1042 . 23 1 1 A 79 79 VAL H H 109 7.760 8.267 -0.507 1
1 1043 . 23 1 1 A 79 79 VAL HA H 109 5.215 4.898 0.317 1
1 1051 . 23 1 1 A 79 79 VAL C C 109 172.526 174.122 -1.596 1
1 1052 . 23 1 1 A 79 79 VAL CA C 109 59.193 59.303 -0.110 1
1 1053 . 23 1 1 A 79 79 VAL CB C 109 36.173 36.044 0.129 1
1 1056 . 23 1 1 A 79 79 VAL N N 109 127.825 121.177 6.648 1
1 1057 . 23 1 1 A 80 80 ILE H H 110 8.616 8.227 0.389 1
1 1058 . 23 1 1 A 80 80 ILE HA H 110 4.011 4.555 -0.544 1
1 1068 . 23 1 1 A 80 80 ILE C C 110 174.690 174.295 0.395 1
1 1069 . 23 1 1 A 80 80 ILE CA C 110 60.922 60.123 0.799 1
1 1070 . 23 1 1 A 80 80 ILE CB C 110 42.047 41.605 0.442 1
1 1074 . 23 1 1 A 80 80 ILE N N 110 124.001 121.428 2.573 1
1 1075 . 23 1 1 A 81 81 ASN H H 111 8.937 8.586 0.351 1
1 1076 . 23 1 1 A 81 81 ASN HA H 111 4.760 5.464 -0.704 1
1 1081 . 23 1 1 A 81 81 ASN C C 111 175.326 175.590 -0.264 1
1 1082 . 23 1 1 A 81 81 ASN CA C 111 53.600 51.203 2.397 1
1 1083 . 23 1 1 A 81 81 ASN CB C 111 40.412 41.103 -0.691 1
1 1085 . 23 1 1 A 81 81 ASN N N 111 126.229 124.128 2.101 1
1 1087 . 23 1 1 A 82 82 GLY H H 112 7.984 8.410 -0.426 1
1 1088 . 23 1 1 A 82 82 GLY HA2 H 112 4.457 4.238 0.219 1
1 1089 . 23 1 1 A 82 82 GLY HA3 H 112 3.847 4.250 -0.403 1
1 1090 . 23 1 1 A 82 82 GLY C C 112 171.875 171.451 0.424 1
1 1091 . 23 1 1 A 82 82 GLY CA C 112 43.303 45.413 -2.110 1
1 1092 . 23 1 1 A 82 82 GLY N N 112 110.894 108.433 2.461 1
1 1093 . 23 1 1 A 83 83 PRO HA H 113 4.609 4.495 0.114 1
1 1100 . 23 1 1 A 83 83 PRO C C 113 178.327 177.508 0.819 1
1 1101 . 23 1 1 A 83 83 PRO CA C 113 63.342 63.528 -0.186 1
1 1102 . 23 1 1 A 83 83 PRO CB C 113 32.232 31.890 0.342 1
1 1105 . 23 1 1 A 84 84 GLY H H 114 8.939 8.765 0.174 1
1 1106 . 23 1 1 A 84 84 GLY HA2 H 114 4.055 4.041 0.014 1
1 1107 . 23 1 1 A 84 84 GLY HA3 H 114 3.192 4.108 -0.916 1
1 1108 . 23 1 1 A 84 84 GLY C C 114 172.587 175.060 -2.473 1
1 1109 . 23 1 1 A 84 84 GLY CA C 114 44.667 45.425 -0.758 1
1 1110 . 23 1 1 A 84 84 GLY N N 114 109.324 111.346 -2.022 1
1 1111 . 23 1 1 A 85 85 LYS H H 115 9.550 8.363 1.187 1
1 1112 . 23 1 1 A 85 85 LYS HA H 115 4.527 4.200 0.327 1
1 1121 . 23 1 1 A 85 85 LYS C C 115 175.690 174.718 0.972 1
1 1122 . 23 1 1 A 85 85 LYS CA C 115 56.251 58.014 -1.763 1
1 1123 . 23 1 1 A 85 85 LYS CB C 115 34.217 32.340 1.877 1
1 1127 . 23 1 1 A 85 85 LYS N N 115 119.240 119.802 -0.562 1
1 1128 . 23 1 1 A 86 86 THR H H 116 7.327 7.550 -0.223 1
1 1129 . 23 1 1 A 86 86 THR HA H 116 3.572 3.596 -0.024 1
1 1134 . 23 1 1 A 86 86 THR C C 116 170.519 172.717 -2.198 1
1 1135 . 23 1 1 A 86 86 THR CA C 116 59.094 60.062 -0.968 1
1 1136 . 23 1 1 A 86 86 THR CB C 116 68.191 69.441 -1.250 1
1 1138 . 23 1 1 A 86 86 THR N N 116 113.403 111.774 1.629 1
1 1139 . 23 1 1 A 87 87 ASN H H 117 8.035 8.517 -0.482 1
1 1140 . 23 1 1 A 87 87 ASN HA H 117 4.914 4.796 0.118 1
1 1145 . 23 1 1 A 87 87 ASN C C 117 175.798 176.048 -0.250 1
1 1146 . 23 1 1 A 87 87 ASN CA C 117 52.062 55.585 -3.523 1
1 1147 . 23 1 1 A 87 87 ASN CB C 117 40.563 38.758 1.805 1
1 1149 . 23 1 1 A 87 87 ASN N N 117 118.907 122.727 -3.820 1
1 1151 . 23 1 1 A 88 88 GLU H H 118 8.362 7.485 0.877 1
1 1152 . 23 1 1 A 88 88 GLU HA H 118 4.116 4.159 -0.043 1
1 1157 . 23 1 1 A 88 88 GLU C C 118 175.935 175.207 0.728 1
1 1158 . 23 1 1 A 88 88 GLU CA C 118 55.589 55.912 -0.323 1
1 1159 . 23 1 1 A 88 88 GLU CB C 118 29.435 29.079 0.356 1
1 1161 . 23 1 1 A 88 88 GLU N N 118 119.547 116.520 3.027 1
1 1162 . 23 1 1 A 89 89 TYR H H 119 7.918 8.045 -0.127 1
1 1163 . 23 1 1 A 89 89 TYR HA H 119 4.639 4.420 0.219 1
1 1170 . 23 1 1 A 89 89 TYR C C 119 175.750 174.064 1.686 1
1 1171 . 23 1 1 A 89 89 TYR CA C 119 59.270 58.501 0.769 1
1 1172 . 23 1 1 A 89 89 TYR CB C 119 38.274 36.437 1.837 1
1 1175 . 23 1 1 A 89 89 TYR N N 119 118.293 118.274 0.019 1
1 1176 . 23 1 1 A 90 90 ALA H H 120 8.285 8.899 -0.614 1
1 1177 . 23 1 1 A 90 90 ALA HA H 120 4.273 4.433 -0.160 1
1 1181 . 23 1 1 A 90 90 ALA C C 120 175.773 175.977 -0.204 1
1 1182 . 23 1 1 A 90 90 ALA CA C 120 52.014 51.633 0.381 1
1 1183 . 23 1 1 A 90 90 ALA CB C 120 19.920 18.293 1.627 1
1 1184 . 23 1 1 A 90 90 ALA N N 120 126.212 126.072 0.140 1
1 11 . 24 1 1 A 2 2 SER HA H 32 4.469 4.728 -0.259 1
1 14 . 24 1 1 A 2 2 SER C C 32 174.865 174.510 0.355 1
1 15 . 24 1 1 A 2 2 SER CA C 32 58.680 57.431 1.249 1
1 16 . 24 1 1 A 2 2 SER CB C 32 63.805 64.088 -0.283 1
1 17 . 24 1 1 A 3 3 GLY H H 33 8.513 7.993 0.520 1
1 18 . 24 1 1 A 3 3 GLY HA2 H 33 3.972 3.923 0.049 1
1 19 . 24 1 1 A 3 3 GLY HA3 H 33 3.972 3.924 0.048 1
1 20 . 24 1 1 A 3 3 GLY C C 33 173.735 174.367 -0.632 1
1 21 . 24 1 1 A 3 3 GLY CA C 33 45.132 46.774 -1.642 1
1 22 . 24 1 1 A 3 3 GLY N N 33 110.526 110.583 -0.057 1
1 23 . 24 1 1 A 4 4 LEU H H 34 8.145 7.897 0.248 1
1 24 . 24 1 1 A 4 4 LEU HA H 34 4.599 4.650 -0.051 1
1 34 . 24 1 1 A 4 4 LEU C C 34 175.201 175.105 0.096 1
1 35 . 24 1 1 A 4 4 LEU CA C 34 53.002 51.542 1.460 1
1 36 . 24 1 1 A 4 4 LEU CB C 34 41.772 44.236 -2.464 1
1 40 . 24 1 1 A 4 4 LEU N N 34 122.423 121.612 0.811 1
1 41 . 24 1 1 A 5 5 PRO HA H 35 4.551 4.490 0.061 1
1 48 . 24 1 1 A 5 5 PRO C C 35 176.487 175.980 0.507 1
1 49 . 24 1 1 A 5 5 PRO CA C 35 62.771 62.663 0.108 1
1 50 . 24 1 1 A 5 5 PRO CB C 35 32.488 32.860 -0.372 1
1 53 . 24 1 1 A 6 6 THR H H 36 8.447 8.423 0.024 1
1 54 . 24 1 1 A 6 6 THR HA H 36 4.445 4.563 -0.118 1
1 59 . 24 1 1 A 6 6 THR C C 36 174.231 173.800 0.431 1
1 60 . 24 1 1 A 6 6 THR CA C 36 61.727 61.362 0.365 1
1 61 . 24 1 1 A 6 6 THR CB C 36 69.213 69.489 -0.276 1
1 63 . 24 1 1 A 6 6 THR N N 36 111.916 116.445 -4.529 1
1 64 . 24 1 1 A 7 7 THR H H 37 7.303 7.432 -0.129 1
1 65 . 24 1 1 A 7 7 THR HA H 37 5.232 4.906 0.326 1
1 70 . 24 1 1 A 7 7 THR C C 37 175.848 174.622 1.226 1
1 71 . 24 1 1 A 7 7 THR CA C 37 58.599 59.495 -0.896 1
1 72 . 24 1 1 A 7 7 THR CB C 37 71.971 72.284 -0.313 1
1 74 . 24 1 1 A 7 7 THR N N 37 110.288 112.853 -2.565 1
1 75 . 24 1 1 A 8 8 LEU H H 38 9.065 8.725 0.340 1
1 76 . 24 1 1 A 8 8 LEU HA H 38 3.829 3.874 -0.045 1
1 86 . 24 1 1 A 8 8 LEU C C 38 177.964 179.719 -1.755 1
1 87 . 24 1 1 A 8 8 LEU CA C 38 57.613 57.797 -0.184 1
1 88 . 24 1 1 A 8 8 LEU CB C 38 41.058 41.208 -0.150 1
1 92 . 24 1 1 A 8 8 LEU N N 38 122.441 122.835 -0.394 1
1 93 . 24 1 1 A 9 9 GLY H H 39 8.753 8.241 0.512 1
1 94 . 24 1 1 A 9 9 GLY HA2 H 39 3.969 3.843 0.126 1
1 95 . 24 1 1 A 9 9 GLY HA3 H 39 3.769 3.844 -0.075 1
1 96 . 24 1 1 A 9 9 GLY C C 39 176.615 175.423 1.192 1
1 97 . 24 1 1 A 9 9 GLY CA C 39 47.314 46.780 0.534 1
1 98 . 24 1 1 A 9 9 GLY N N 39 104.356 106.625 -2.269 1
1 99 . 24 1 1 A 10 10 LYS H H 40 7.341 7.699 -0.358 1
1 100 . 24 1 1 A 10 10 LYS HA H 40 4.241 4.303 -0.062 1
1 109 . 24 1 1 A 10 10 LYS C C 40 179.292 179.000 0.292 1
1 110 . 24 1 1 A 10 10 LYS CA C 40 58.108 57.733 0.375 1
1 111 . 24 1 1 A 10 10 LYS CB C 40 32.346 32.974 -0.628 1
1 115 . 24 1 1 A 10 10 LYS N N 40 120.741 121.317 -0.576 1
1 116 . 24 1 1 A 11 11 LEU H H 41 8.033 7.892 0.141 1
1 117 . 24 1 1 A 11 11 LEU HA H 41 4.059 4.069 -0.010 1
1 127 . 24 1 1 A 11 11 LEU C C 41 177.253 178.033 -0.780 1
1 128 . 24 1 1 A 11 11 LEU CA C 41 57.978 57.646 0.332 1
1 129 . 24 1 1 A 11 11 LEU CB C 41 41.760 41.492 0.268 1
1 133 . 24 1 1 A 11 11 LEU N N 41 121.501 122.244 -0.743 1
1 134 . 24 1 1 A 12 12 ASP H H 42 9.025 8.615 0.410 1
1 135 . 24 1 1 A 12 12 ASP HA H 42 4.045 4.334 -0.289 1
1 138 . 24 1 1 A 12 12 ASP C C 42 176.536 178.240 -1.704 1
1 139 . 24 1 1 A 12 12 ASP CA C 42 58.740 57.865 0.875 1
1 140 . 24 1 1 A 12 12 ASP CB C 42 44.783 41.537 3.246 1
1 141 . 24 1 1 A 12 12 ASP N N 42 119.776 119.230 0.546 1
1 142 . 24 1 1 A 13 13 GLU H H 43 7.253 8.508 -1.255 1
1 143 . 24 1 1 A 13 13 GLU HA H 43 3.869 4.027 -0.158 1
1 148 . 24 1 1 A 13 13 GLU C C 43 178.916 179.009 -0.093 1
1 149 . 24 1 1 A 13 13 GLU CA C 43 59.511 59.769 -0.258 1
1 150 . 24 1 1 A 13 13 GLU CB C 43 30.131 29.248 0.883 1
1 152 . 24 1 1 A 13 13 GLU N N 43 116.304 118.861 -2.557 1
1 153 . 24 1 1 A 14 14 ARG H H 44 7.234 7.561 -0.327 1
1 154 . 24 1 1 A 14 14 ARG HA H 44 3.920 4.227 -0.307 1
1 163 . 24 1 1 A 14 14 ARG C C 44 177.609 179.188 -1.579 1
1 164 . 24 1 1 A 14 14 ARG CA C 44 58.607 58.811 -0.204 1
1 165 . 24 1 1 A 14 14 ARG CB C 44 30.304 30.165 0.139 1
1 168 . 24 1 1 A 14 14 ARG N N 44 118.267 120.445 -2.178 1
1 171 . 24 1 1 A 15 15 LEU H H 45 8.734 8.861 -0.127 1
1 172 . 24 1 1 A 15 15 LEU HA H 45 3.809 4.251 -0.442 1
1 182 . 24 1 1 A 15 15 LEU C C 45 179.204 179.566 -0.362 1
1 183 . 24 1 1 A 15 15 LEU CA C 45 58.248 57.959 0.289 1
1 184 . 24 1 1 A 15 15 LEU CB C 45 42.076 40.982 1.094 1
1 188 . 24 1 1 A 15 15 LEU N N 45 117.856 119.683 -1.827 1
1 189 . 24 1 1 A 16 16 ARG H H 46 8.280 8.449 -0.169 1
1 190 . 24 1 1 A 16 16 ARG HA H 46 3.863 4.152 -0.289 1
1 200 . 24 1 1 A 16 16 ARG C C 46 179.432 178.973 0.459 1
1 201 . 24 1 1 A 16 16 ARG CA C 46 60.779 59.310 1.469 1
1 202 . 24 1 1 A 16 16 ARG CB C 46 29.824 29.782 0.042 1
1 205 . 24 1 1 A 16 16 ARG N N 46 115.954 119.580 -3.626 1
1 209 . 24 1 1 A 17 17 ASN H H 47 7.433 7.964 -0.531 1
1 210 . 24 1 1 A 17 17 ASN HA H 47 4.458 4.493 -0.035 1
1 215 . 24 1 1 A 17 17 ASN C C 47 177.657 178.262 -0.605 1
1 216 . 24 1 1 A 17 17 ASN CA C 47 56.297 56.329 -0.032 1
1 217 . 24 1 1 A 17 17 ASN CB C 47 38.540 37.932 0.608 1
1 219 . 24 1 1 A 17 17 ASN N N 47 118.514 118.019 0.495 1
1 221 . 24 1 1 A 18 18 TYR H H 48 8.945 8.372 0.573 1
1 222 . 24 1 1 A 18 18 TYR HA H 48 4.184 4.324 -0.140 1
1 229 . 24 1 1 A 18 18 TYR C C 48 177.806 178.117 -0.311 1
1 230 . 24 1 1 A 18 18 TYR CA C 48 58.651 60.627 -1.976 1
1 231 . 24 1 1 A 18 18 TYR CB C 48 36.527 37.866 -1.339 1
1 234 . 24 1 1 A 18 18 TYR N N 48 121.714 119.105 2.609 1
1 235 . 24 1 1 A 19 19 LEU H H 49 8.293 7.788 0.505 1
1 236 . 24 1 1 A 19 19 LEU HA H 49 3.410 3.422 -0.012 1
1 246 . 24 1 1 A 19 19 LEU C C 49 179.153 179.151 0.002 1
1 247 . 24 1 1 A 19 19 LEU CA C 49 57.822 57.651 0.171 1
1 248 . 24 1 1 A 19 19 LEU CB C 49 41.929 41.052 0.877 1
1 252 . 24 1 1 A 19 19 LEU N N 49 119.284 120.211 -0.927 1
1 253 . 24 1 1 A 20 20 LYS H H 50 7.322 8.077 -0.755 1
1 254 . 24 1 1 A 20 20 LYS HA H 50 3.893 3.802 0.091 1
1 263 . 24 1 1 A 20 20 LYS C C 50 177.980 179.413 -1.433 1
1 264 . 24 1 1 A 20 20 LYS CA C 50 59.104 60.238 -1.134 1
1 265 . 24 1 1 A 20 20 LYS CB C 50 32.348 32.223 0.125 1
1 269 . 24 1 1 A 20 20 LYS N N 50 117.005 117.122 -0.117 1
1 270 . 24 1 1 A 21 21 LYS H H 51 7.435 8.360 -0.925 1
1 271 . 24 1 1 A 21 21 LYS HA H 51 4.080 4.065 0.015 1
1 280 . 24 1 1 A 21 21 LYS C C 51 178.971 177.875 1.096 1
1 281 . 24 1 1 A 21 21 LYS CA C 51 57.418 58.751 -1.333 1
1 282 . 24 1 1 A 21 21 LYS CB C 51 32.675 32.197 0.478 1
1 286 . 24 1 1 A 21 21 LYS N N 51 115.946 118.885 -2.939 1
1 287 . 24 1 1 A 22 22 GLY H H 52 8.290 7.643 0.647 1
1 288 . 24 1 1 A 22 22 GLY HA2 H 52 3.897 4.088 -0.191 1
1 289 . 24 1 1 A 22 22 GLY HA3 H 52 4.181 4.113 0.068 1
1 290 . 24 1 1 A 22 22 GLY C C 52 173.610 174.134 -0.524 1
1 291 . 24 1 1 A 22 22 GLY CA C 52 45.088 45.790 -0.702 1
1 292 . 24 1 1 A 22 22 GLY N N 52 105.432 107.591 -2.159 1
1 293 . 24 1 1 A 23 23 THR H H 53 7.148 8.009 -0.861 1
1 294 . 24 1 1 A 23 23 THR HA H 53 4.838 4.537 0.301 1
1 300 . 24 1 1 A 23 23 THR C C 53 174.444 174.938 -0.494 1
1 301 . 24 1 1 A 23 23 THR CA C 53 59.766 60.845 -1.079 1
1 302 . 24 1 1 A 23 23 THR CB C 53 72.471 71.742 0.729 1
1 304 . 24 1 1 A 23 23 THR N N 53 107.608 111.631 -4.023 1
1 305 . 24 1 1 A 24 24 LYS H H 54 8.414 8.643 -0.229 1
1 306 . 24 1 1 A 24 24 LYS HA H 54 4.355 4.193 0.162 1
1 315 . 24 1 1 A 24 24 LYS C C 54 177.632 176.836 0.796 1
1 316 . 24 1 1 A 24 24 LYS CA C 54 57.393 58.015 -0.622 1
1 317 . 24 1 1 A 24 24 LYS CB C 54 32.806 32.940 -0.134 1
1 321 . 24 1 1 A 24 24 LYS N N 54 118.924 119.446 -0.522 1
1 322 . 24 1 1 A 25 25 ASN H H 55 7.823 7.885 -0.062 1
1 323 . 24 1 1 A 25 25 ASN HA H 55 4.992 4.910 0.082 1
1 328 . 24 1 1 A 25 25 ASN C C 55 174.882 175.259 -0.377 1
1 329 . 24 1 1 A 25 25 ASN CA C 55 51.540 52.588 -1.048 1
1 330 . 24 1 1 A 25 25 ASN CB C 55 38.209 40.073 -1.864 1
1 332 . 24 1 1 A 25 25 ASN N N 55 116.576 115.700 0.876 1
1 334 . 24 1 1 A 26 26 SER H H 56 8.557 8.977 -0.420 1
1 335 . 24 1 1 A 26 26 SER HA H 56 4.145 4.188 -0.043 1
1 338 . 24 1 1 A 26 26 SER C C 56 176.886 176.182 0.704 1
1 339 . 24 1 1 A 26 26 SER CA C 56 61.051 61.564 -0.513 1
1 340 . 24 1 1 A 26 26 SER CB C 56 62.398 62.658 -0.260 1
1 341 . 24 1 1 A 26 26 SER N N 56 118.968 121.618 -2.650 1
1 342 . 24 1 1 A 27 27 ALA H H 57 8.133 7.948 0.185 1
1 343 . 24 1 1 A 27 27 ALA HA H 57 4.277 4.266 0.011 1
1 347 . 24 1 1 A 27 27 ALA C C 57 177.779 178.187 -0.408 1
1 348 . 24 1 1 A 27 27 ALA CA C 57 54.020 53.729 0.291 1
1 349 . 24 1 1 A 27 27 ALA CB C 57 18.258 18.315 -0.057 1
1 350 . 24 1 1 A 27 27 ALA N N 57 125.334 122.927 2.407 1
1 351 . 24 1 1 A 28 28 GLN H H 58 7.113 8.196 -1.083 1
1 352 . 24 1 1 A 28 28 GLN HA H 58 4.262 4.213 0.049 1
1 359 . 24 1 1 A 28 28 GLN C C 58 174.984 175.907 -0.923 1
1 360 . 24 1 1 A 28 28 GLN CA C 58 56.272 56.171 0.101 1
1 361 . 24 1 1 A 28 28 GLN CB C 58 28.627 27.949 0.678 1
1 364 . 24 1 1 A 28 28 GLN N N 58 112.472 113.949 -1.477 1
1 366 . 24 1 1 A 29 29 PHE H H 59 7.361 7.788 -0.427 1
1 367 . 24 1 1 A 29 29 PHE HA H 59 4.622 4.684 -0.062 1
1 375 . 24 1 1 A 29 29 PHE C C 59 173.987 175.565 -1.578 1
1 376 . 24 1 1 A 29 29 PHE CA C 59 59.534 58.406 1.128 1
1 377 . 24 1 1 A 29 29 PHE CB C 59 38.939 40.386 -1.447 1
1 381 . 24 1 1 A 29 29 PHE N N 59 118.258 119.639 -1.381 1
1 382 . 24 1 1 A 30 30 GLU H H 60 9.228 9.369 -0.141 1
1 383 . 24 1 1 A 30 30 GLU HA H 60 4.479 4.584 -0.105 1
1 388 . 24 1 1 A 30 30 GLU C C 60 176.282 175.765 0.517 1
1 389 . 24 1 1 A 30 30 GLU CA C 60 57.063 57.678 -0.615 1
1 390 . 24 1 1 A 30 30 GLU CB C 60 33.512 33.100 0.412 1
1 392 . 24 1 1 A 30 30 GLU N N 60 125.247 124.099 1.148 1
1 393 . 24 1 1 A 31 31 LYS H H 61 7.998 7.685 0.313 1
1 394 . 24 1 1 A 31 31 LYS HA H 61 5.074 4.660 0.414 1
1 403 . 24 1 1 A 31 31 LYS C C 61 172.325 174.602 -2.277 1
1 404 . 24 1 1 A 31 31 LYS CA C 61 54.881 54.926 -0.045 1
1 405 . 24 1 1 A 31 31 LYS CB C 61 35.683 35.838 -0.155 1
1 409 . 24 1 1 A 31 31 LYS N N 61 113.709 115.919 -2.210 1
1 410 . 24 1 1 A 32 32 MET H H 62 9.051 8.789 0.262 1
1 411 . 24 1 1 A 32 32 MET HA H 62 5.630 5.416 0.214 1
1 419 . 24 1 1 A 32 32 MET C C 62 172.898 174.219 -1.321 1
1 420 . 24 1 1 A 32 32 MET CA C 62 53.043 53.525 -0.482 1
1 421 . 24 1 1 A 32 32 MET CB C 62 35.214 35.114 0.100 1
1 424 . 24 1 1 A 32 32 MET N N 62 118.635 116.945 1.690 1
1 425 . 24 1 1 A 33 33 VAL H H 63 9.186 8.967 0.219 1
1 426 . 24 1 1 A 33 33 VAL HA H 63 4.700 4.950 -0.250 1
1 434 . 24 1 1 A 33 33 VAL C C 63 174.133 173.631 0.502 1
1 435 . 24 1 1 A 33 33 VAL CA C 63 61.351 59.970 1.381 1
1 436 . 24 1 1 A 33 33 VAL CB C 63 34.651 35.412 -0.761 1
1 439 . 24 1 1 A 33 33 VAL N N 63 122.441 118.743 3.698 1
1 440 . 24 1 1 A 34 34 ILE H H 64 9.244 9.095 0.149 1
1 441 . 24 1 1 A 34 34 ILE HA H 64 4.302 4.911 -0.609 1
1 451 . 24 1 1 A 34 34 ILE C C 64 174.924 174.850 0.074 1
1 452 . 24 1 1 A 34 34 ILE CA C 64 60.422 59.672 0.750 1
1 453 . 24 1 1 A 34 34 ILE CB C 64 41.255 40.923 0.332 1
1 457 . 24 1 1 A 34 34 ILE N N 64 127.876 128.562 -0.686 1
1 458 . 24 1 1 A 35 35 LEU H H 65 9.117 9.214 -0.097 1
1 459 . 24 1 1 A 35 35 LEU HA H 65 5.531 5.587 -0.056 1
1 469 . 24 1 1 A 35 35 LEU C C 65 178.538 176.314 2.224 1
1 470 . 24 1 1 A 35 35 LEU CA C 65 53.047 53.683 -0.636 1
1 471 . 24 1 1 A 35 35 LEU CB C 65 43.797 45.067 -1.270 1
1 475 . 24 1 1 A 35 35 LEU N N 65 125.572 127.242 -1.670 1
1 476 . 24 1 1 A 36 36 THR H H 66 8.634 8.878 -0.244 1
1 477 . 24 1 1 A 36 36 THR HA H 66 5.212 5.399 -0.187 1
1 482 . 24 1 1 A 36 36 THR C C 66 174.918 174.042 0.876 1
1 483 . 24 1 1 A 36 36 THR CA C 66 59.374 59.574 -0.200 1
1 484 . 24 1 1 A 36 36 THR CB C 66 72.100 71.829 0.271 1
1 486 . 24 1 1 A 36 36 THR N N 66 112.840 114.719 -1.879 1
1 487 . 24 1 1 A 37 37 GLU H H 67 8.580 8.565 0.015 1
1 488 . 24 1 1 A 37 37 GLU HA H 67 4.469 4.133 0.336 1
1 493 . 24 1 1 A 37 37 GLU C C 67 177.333 176.836 0.497 1
1 494 . 24 1 1 A 37 37 GLU CA C 67 57.348 56.451 0.897 1
1 495 . 24 1 1 A 37 37 GLU CB C 67 31.357 30.251 1.106 1
1 497 . 24 1 1 A 37 37 GLU N N 67 118.675 121.265 -2.590 1
1 498 . 24 1 1 A 38 38 ASN H H 68 8.580 9.057 -0.477 1
1 499 . 24 1 1 A 38 38 ASN HA H 68 3.768 3.939 -0.171 1
1 504 . 24 1 1 A 38 38 ASN C C 68 172.921 174.470 -1.549 1
1 505 . 24 1 1 A 38 38 ASN CA C 68 54.686 54.273 0.413 1
1 506 . 24 1 1 A 38 38 ASN CB C 68 36.511 36.562 -0.051 1
1 508 . 24 1 1 A 38 38 ASN N N 68 114.341 117.307 -2.966 1
1 510 . 24 1 1 A 39 39 LYS H H 69 7.891 8.596 -0.705 1
1 511 . 24 1 1 A 39 39 LYS HA H 69 3.936 3.803 0.133 1
1 520 . 24 1 1 A 39 39 LYS C C 69 177.032 176.210 0.822 1
1 521 . 24 1 1 A 39 39 LYS CA C 69 56.758 57.431 -0.673 1
1 522 . 24 1 1 A 39 39 LYS CB C 69 28.099 29.632 -1.533 1
1 526 . 24 1 1 A 39 39 LYS N N 69 107.932 109.599 -1.667 1
1 527 . 24 1 1 A 40 40 GLY H H 70 6.998 7.579 -0.581 1
1 528 . 24 1 1 A 40 40 GLY HA2 H 70 4.362 3.856 0.506 1
1 529 . 24 1 1 A 40 40 GLY HA3 H 70 3.875 4.008 -0.133 1
1 530 . 24 1 1 A 40 40 GLY C C 70 173.763 172.439 1.324 1
1 531 . 24 1 1 A 40 40 GLY CA C 70 46.628 45.769 0.859 1
1 532 . 24 1 1 A 40 40 GLY N N 70 107.011 107.425 -0.414 1
1 533 . 24 1 1 A 41 41 TYR H H 71 7.679 8.475 -0.796 1
1 534 . 24 1 1 A 41 41 TYR HA H 71 5.097 5.411 -0.314 1
1 541 . 24 1 1 A 41 41 TYR C C 71 174.452 172.734 1.718 1
1 542 . 24 1 1 A 41 41 TYR CA C 71 57.730 56.812 0.918 1
1 543 . 24 1 1 A 41 41 TYR CB C 71 40.474 41.940 -1.466 1
1 546 . 24 1 1 A 41 41 TYR N N 71 129.822 123.594 6.228 1
1 547 . 24 1 1 A 42 42 TYR H H 72 9.101 8.855 0.246 1
1 548 . 24 1 1 A 42 42 TYR HA H 72 4.875 5.046 -0.171 1
1 555 . 24 1 1 A 42 42 TYR C C 72 174.448 174.057 0.391 1
1 556 . 24 1 1 A 42 42 TYR CA C 72 56.114 56.489 -0.375 1
1 557 . 24 1 1 A 42 42 TYR CB C 72 41.115 42.201 -1.086 1
1 560 . 24 1 1 A 42 42 TYR N N 72 126.527 126.433 0.094 1
1 561 . 24 1 1 A 43 43 THR H H 73 9.022 9.229 -0.207 1
1 562 . 24 1 1 A 43 43 THR HA H 73 4.876 4.977 -0.101 1
1 567 . 24 1 1 A 43 43 THR C C 73 174.791 173.386 1.405 1
1 568 . 24 1 1 A 43 43 THR CA C 73 62.821 60.504 2.317 1
1 569 . 24 1 1 A 43 43 THR CB C 73 68.769 71.312 -2.543 1
1 571 . 24 1 1 A 43 43 THR N N 73 120.810 117.977 2.833 1
1 572 . 24 1 1 A 44 44 VAL H H 74 9.233 8.880 0.353 1
1 573 . 24 1 1 A 44 44 VAL HA H 74 4.427 4.592 -0.165 1
1 581 . 24 1 1 A 44 44 VAL C C 74 175.094 174.572 0.522 1
1 582 . 24 1 1 A 44 44 VAL CA C 74 61.457 61.130 0.327 1
1 583 . 24 1 1 A 44 44 VAL CB C 74 35.669 35.221 0.448 1
1 586 . 24 1 1 A 44 44 VAL N N 74 129.156 127.186 1.970 1
1 587 . 24 1 1 A 45 45 TYR H H 75 9.384 8.940 0.444 1
1 588 . 24 1 1 A 45 45 TYR HA H 75 4.528 4.648 -0.120 1
1 595 . 24 1 1 A 45 45 TYR C C 75 176.497 175.970 0.527 1
1 596 . 24 1 1 A 45 45 TYR CA C 75 59.843 58.617 1.226 1
1 597 . 24 1 1 A 45 45 TYR CB C 75 38.245 38.397 -0.152 1
1 600 . 24 1 1 A 45 45 TYR N N 75 128.465 127.188 1.277 1
1 601 . 24 1 1 A 46 46 LEU H H 76 8.524 8.984 -0.460 1
1 602 . 24 1 1 A 46 46 LEU HA H 76 4.528 4.219 0.309 1
1 612 . 24 1 1 A 46 46 LEU C C 76 177.001 178.220 -1.219 1
1 613 . 24 1 1 A 46 46 LEU CA C 76 55.010 57.271 -2.261 1
1 614 . 24 1 1 A 46 46 LEU CB C 76 42.094 41.932 0.162 1
1 618 . 24 1 1 A 46 46 LEU N N 76 119.547 125.078 -5.531 1
1 619 . 24 1 1 A 47 47 ASN H H 77 8.599 7.601 0.998 1
1 620 . 24 1 1 A 47 47 ASN HA H 77 4.618 4.761 -0.143 1
1 625 . 24 1 1 A 47 47 ASN C C 77 173.844 175.173 -1.329 1
1 626 . 24 1 1 A 47 47 ASN CA C 77 54.045 53.393 0.652 1
1 627 . 24 1 1 A 47 47 ASN CB C 77 37.058 38.550 -1.492 1
1 629 . 24 1 1 A 47 47 ASN N N 77 116.407 115.773 0.634 1
1 631 . 24 1 1 A 48 48 THR H H 78 7.429 7.454 -0.025 1
1 632 . 24 1 1 A 48 48 THR HA H 78 4.803 5.073 -0.270 1
1 637 . 24 1 1 A 48 48 THR C C 78 175.201 171.760 3.441 1
1 638 . 24 1 1 A 48 48 THR CA C 78 58.577 58.668 -0.091 1
1 639 . 24 1 1 A 48 48 THR CB C 78 70.494 70.676 -0.182 1
1 641 . 24 1 1 A 48 48 THR N N 78 111.551 111.399 0.152 1
1 642 . 24 1 1 A 49 49 PRO HA H 79 4.462 4.567 -0.105 1
1 649 . 24 1 1 A 49 49 PRO C C 79 176.670 176.700 -0.030 1
1 650 . 24 1 1 A 49 49 PRO CA C 79 62.384 62.816 -0.432 1
1 651 . 24 1 1 A 49 49 PRO CB C 79 32.205 32.091 0.114 1
1 654 . 24 1 1 A 50 50 LEU H H 80 9.049 8.342 0.707 1
1 655 . 24 1 1 A 50 50 LEU HA H 80 4.081 4.270 -0.189 1
1 665 . 24 1 1 A 50 50 LEU C C 80 176.758 175.474 1.284 1
1 666 . 24 1 1 A 50 50 LEU CA C 80 55.315 55.990 -0.675 1
1 667 . 24 1 1 A 50 50 LEU CB C 80 41.915 42.965 -1.050 1
1 671 . 24 1 1 A 50 50 LEU N N 80 126.341 123.943 2.398 1
1 672 . 24 1 1 A 51 51 ALA H H 81 8.415 8.204 0.211 1
1 673 . 24 1 1 A 51 51 ALA HA H 81 4.187 4.831 -0.644 1
1 677 . 24 1 1 A 51 51 ALA C C 81 179.005 178.626 0.379 1
1 678 . 24 1 1 A 51 51 ALA CA C 81 52.851 50.428 2.423 1
1 679 . 24 1 1 A 51 51 ALA CB C 81 19.625 20.968 -1.343 1
1 680 . 24 1 1 A 51 51 ALA N N 81 129.745 128.204 1.541 1
1 681 . 24 1 1 A 52 52 GLU H H 82 8.739 8.950 -0.211 1
1 682 . 24 1 1 A 52 52 GLU HA H 82 3.815 4.049 -0.234 1
1 687 . 24 1 1 A 52 52 GLU C C 82 178.591 178.106 0.485 1
1 688 . 24 1 1 A 52 52 GLU CA C 82 59.566 58.604 0.962 1
1 689 . 24 1 1 A 52 52 GLU CB C 82 29.774 29.125 0.649 1
1 691 . 24 1 1 A 52 52 GLU N N 82 121.424 122.792 -1.368 1
1 692 . 24 1 1 A 53 53 ASP H H 83 8.511 8.253 0.258 1
1 693 . 24 1 1 A 53 53 ASP HA H 83 4.427 4.370 0.057 1
1 696 . 24 1 1 A 53 53 ASP C C 83 177.306 179.181 -1.875 1
1 697 . 24 1 1 A 53 53 ASP CA C 83 55.398 57.409 -2.011 1
1 698 . 24 1 1 A 53 53 ASP CB C 83 39.430 40.158 -0.728 1
1 699 . 24 1 1 A 53 53 ASP N N 83 114.043 121.055 -7.012 1
1 700 . 24 1 1 A 54 54 ARG H H 84 7.800 7.832 -0.032 1
1 701 . 24 1 1 A 54 54 ARG HA H 84 4.527 4.079 0.448 1
1 710 . 24 1 1 A 54 54 ARG C C 84 176.966 179.297 -2.331 1
1 711 . 24 1 1 A 54 54 ARG CA C 84 55.915 59.129 -3.214 1
1 712 . 24 1 1 A 54 54 ARG CB C 84 31.804 29.732 2.072 1
1 715 . 24 1 1 A 54 54 ARG N N 84 118.147 118.925 -0.778 1
1 718 . 24 1 1 A 55 55 LYS H H 85 7.335 7.314 0.021 1
1 719 . 24 1 1 A 55 55 LYS HA H 85 3.551 4.122 -0.571 1
1 728 . 24 1 1 A 55 55 LYS C C 85 178.113 177.433 0.680 1
1 729 . 24 1 1 A 55 55 LYS CA C 85 59.887 58.509 1.378 1
1 730 . 24 1 1 A 55 55 LYS CB C 85 32.935 32.202 0.733 1
1 734 . 24 1 1 A 55 55 LYS N N 85 116.576 118.714 -2.138 1
1 735 . 24 1 1 A 56 56 ASN H H 86 8.347 7.577 0.770 1
1 736 . 24 1 1 A 56 56 ASN HA H 86 4.886 4.921 -0.035 1
1 741 . 24 1 1 A 56 56 ASN C C 86 174.736 175.174 -0.438 1
1 742 . 24 1 1 A 56 56 ASN CA C 86 52.265 53.444 -1.179 1
1 743 . 24 1 1 A 56 56 ASN CB C 86 38.239 40.701 -2.462 1
1 745 . 24 1 1 A 56 56 ASN N N 86 114.341 115.109 -0.768 1
1 747 . 24 1 1 A 57 57 VAL H H 87 6.985 7.218 -0.233 1
1 748 . 24 1 1 A 57 57 VAL HA H 87 3.746 4.045 -0.299 1
1 756 . 24 1 1 A 57 57 VAL C C 87 175.380 175.658 -0.278 1
1 757 . 24 1 1 A 57 57 VAL CA C 87 63.723 62.395 1.328 1
1 758 . 24 1 1 A 57 57 VAL CB C 87 32.650 32.981 -0.331 1
1 761 . 24 1 1 A 57 57 VAL N N 87 121.424 121.831 -0.407 1
1 762 . 24 1 1 A 58 58 GLU H H 88 8.777 8.520 0.257 1
1 763 . 24 1 1 A 58 58 GLU HA H 88 4.339 4.667 -0.328 1
1 768 . 24 1 1 A 58 58 GLU C C 88 176.364 176.408 -0.044 1
1 769 . 24 1 1 A 58 58 GLU CA C 88 56.085 55.896 0.189 1
1 770 . 24 1 1 A 58 58 GLU CB C 88 29.861 30.748 -0.887 1
1 772 . 24 1 1 A 58 58 GLU N N 88 129.489 127.035 2.454 1
1 773 . 24 1 1 A 59 59 LEU H H 89 8.230 8.832 -0.602 1
1 774 . 24 1 1 A 59 59 LEU HA H 89 4.299 4.250 0.049 1
1 784 . 24 1 1 A 59 59 LEU C C 89 178.976 178.005 0.971 1
1 785 . 24 1 1 A 59 59 LEU CA C 89 54.651 55.494 -0.843 1
1 786 . 24 1 1 A 59 59 LEU CB C 89 42.596 41.732 0.864 1
1 790 . 24 1 1 A 59 59 LEU N N 89 124.395 126.546 -2.151 1
1 791 . 24 1 1 A 60 60 LEU H H 90 7.777 8.990 -1.213 1
1 792 . 24 1 1 A 60 60 LEU HA H 90 4.135 4.122 0.013 1
1 802 . 24 1 1 A 60 60 LEU C C 90 176.394 176.844 -0.450 1
1 803 . 24 1 1 A 60 60 LEU CA C 90 56.754 57.385 -0.631 1
1 804 . 24 1 1 A 60 60 LEU CB C 90 42.413 42.334 0.079 1
1 808 . 24 1 1 A 60 60 LEU N N 90 119.734 125.477 -5.743 1
1 809 . 24 1 1 A 61 61 GLY H H 91 7.224 7.489 -0.265 1
1 810 . 24 1 1 A 61 61 GLY HA2 H 91 4.165 4.089 0.076 1
1 811 . 24 1 1 A 61 61 GLY HA3 H 91 3.899 4.189 -0.290 1
1 812 . 24 1 1 A 61 61 GLY C C 91 171.742 172.594 -0.852 1
1 813 . 24 1 1 A 61 61 GLY CA C 91 44.969 45.669 -0.700 1
1 814 . 24 1 1 A 61 61 GLY N N 91 103.707 104.479 -0.772 1
1 815 . 24 1 1 A 62 62 LYS H H 92 8.771 8.520 0.251 1
1 816 . 24 1 1 A 62 62 LYS HA H 92 4.150 4.262 -0.112 1
1 825 . 24 1 1 A 62 62 LYS C C 92 177.522 175.890 1.632 1
1 826 . 24 1 1 A 62 62 LYS CA C 92 56.750 56.071 0.679 1
1 827 . 24 1 1 A 62 62 LYS CB C 92 33.835 32.987 0.848 1
1 831 . 24 1 1 A 62 62 LYS N N 92 118.635 120.500 -1.865 1
1 832 . 24 1 1 A 63 63 MET H H 93 9.188 8.375 0.813 1
1 833 . 24 1 1 A 63 63 MET HA H 93 3.835 4.493 -0.658 1
1 841 . 24 1 1 A 63 63 MET C C 93 173.913 175.673 -1.760 1
1 842 . 24 1 1 A 63 63 MET CA C 93 59.275 53.915 5.360 1
1 843 . 24 1 1 A 63 63 MET CB C 93 31.483 31.022 0.461 1
1 846 . 24 1 1 A 63 63 MET N N 93 123.413 124.172 -0.759 1
1 847 . 24 1 1 A 64 64 TYR H H 94 9.421 8.466 0.955 1
1 848 . 24 1 1 A 64 64 TYR HA H 94 4.767 4.320 0.447 1
1 855 . 24 1 1 A 64 64 TYR C C 94 173.918 174.997 -1.079 1
1 856 . 24 1 1 A 64 64 TYR CA C 94 56.933 61.276 -4.343 1
1 857 . 24 1 1 A 64 64 TYR CB C 94 40.020 39.105 0.915 1
1 860 . 24 1 1 A 64 64 TYR N N 94 129.403 126.257 3.146 1
1 861 . 24 1 1 A 65 65 LYS H H 95 7.289 7.524 -0.235 1
1 862 . 24 1 1 A 65 65 LYS HA H 95 4.688 4.616 0.072 1
1 871 . 24 1 1 A 65 65 LYS C C 95 175.000 174.651 0.349 1
1 872 . 24 1 1 A 65 65 LYS CA C 95 55.841 54.878 0.963 1
1 873 . 24 1 1 A 65 65 LYS CB C 95 40.404 36.692 3.712 1
1 877 . 24 1 1 A 65 65 LYS N N 95 118.804 116.510 2.294 1
1 878 . 24 1 1 A 66 66 THR H H 96 8.727 8.015 0.712 1
1 879 . 24 1 1 A 66 66 THR HA H 96 5.149 5.218 -0.069 1
1 885 . 24 1 1 A 66 66 THR C C 96 172.120 172.548 -0.428 1
1 886 . 24 1 1 A 66 66 THR CA C 96 62.226 60.462 1.764 1
1 887 . 24 1 1 A 66 66 THR CB C 96 71.787 71.909 -0.122 1
1 889 . 24 1 1 A 66 66 THR N N 96 116.235 115.340 0.895 1
1 890 . 24 1 1 A 67 67 TYR H H 97 8.969 9.130 -0.161 1
1 891 . 24 1 1 A 67 67 TYR HA H 97 5.027 5.272 -0.245 1
1 898 . 24 1 1 A 67 67 TYR C C 97 175.077 174.855 0.222 1
1 899 . 24 1 1 A 67 67 TYR CA C 97 57.278 56.691 0.587 1
1 900 . 24 1 1 A 67 67 TYR CB C 97 42.054 42.523 -0.469 1
1 903 . 24 1 1 A 67 67 TYR N N 97 125.256 123.724 1.532 1
1 904 . 24 1 1 A 68 68 PHE H H 98 9.189 9.251 -0.062 1
1 905 . 24 1 1 A 68 68 PHE HA H 98 5.177 5.181 -0.004 1
1 913 . 24 1 1 A 68 68 PHE C C 98 174.791 174.872 -0.081 1
1 914 . 24 1 1 A 68 68 PHE CA C 98 57.825 56.676 1.149 1
1 915 . 24 1 1 A 68 68 PHE CB C 98 42.377 43.363 -0.986 1
1 919 . 24 1 1 A 68 68 PHE N N 98 118.574 120.254 -1.680 1
1 920 . 24 1 1 A 69 69 PHE H H 99 8.976 9.685 -0.709 1
1 921 . 24 1 1 A 69 69 PHE HA H 99 4.893 5.200 -0.307 1
1 929 . 24 1 1 A 69 69 PHE C C 99 176.386 175.477 0.909 1
1 930 . 24 1 1 A 69 69 PHE CA C 99 56.777 56.300 0.477 1
1 931 . 24 1 1 A 69 69 PHE CB C 99 41.371 42.184 -0.813 1
1 935 . 24 1 1 A 69 69 PHE N N 99 119.573 120.798 -1.225 1
1 936 . 24 1 1 A 70 70 LYS H H 100 9.479 9.039 0.440 1
1 937 . 24 1 1 A 70 70 LYS HA H 100 4.533 4.401 0.132 1
1 946 . 24 1 1 A 70 70 LYS C C 100 176.156 177.862 -1.706 1
1 947 . 24 1 1 A 70 70 LYS CA C 100 56.706 55.904 0.802 1
1 948 . 24 1 1 A 70 70 LYS CB C 100 33.667 33.306 0.361 1
1 952 . 24 1 1 A 70 70 LYS N N 100 125.614 123.462 2.152 1
1 953 . 24 1 1 A 71 71 LYS H H 101 8.068 8.999 -0.931 1
1 954 . 24 1 1 A 71 71 LYS HA H 101 4.188 4.208 -0.020 1
1 963 . 24 1 1 A 71 71 LYS C C 101 177.655 176.774 0.881 1
1 964 . 24 1 1 A 71 71 LYS CA C 101 58.238 56.032 2.206 1
1 965 . 24 1 1 A 71 71 LYS CB C 101 32.342 31.683 0.659 1
1 969 . 24 1 1 A 71 71 LYS N N 101 121.057 120.592 0.465 1
1 970 . 24 1 1 A 72 72 GLY H H 102 8.899 7.885 1.014 1
1 971 . 24 1 1 A 72 72 GLY HA2 H 102 4.196 4.094 0.102 1
1 972 . 24 1 1 A 72 72 GLY HA3 H 102 3.815 4.104 -0.289 1
1 973 . 24 1 1 A 72 72 GLY C C 102 173.997 173.457 0.540 1
1 974 . 24 1 1 A 72 72 GLY CA C 102 45.802 45.229 0.573 1
1 975 . 24 1 1 A 72 72 GLY N N 102 114.112 108.013 6.099 1
1 976 . 24 1 1 A 73 73 GLU H H 103 8.047 8.034 0.013 1
1 977 . 24 1 1 A 73 73 GLU HA H 103 4.764 4.986 -0.222 1
1 982 . 24 1 1 A 73 73 GLU C C 103 175.975 175.052 0.923 1
1 983 . 24 1 1 A 73 73 GLU CA C 103 56.295 54.584 1.711 1
1 984 . 24 1 1 A 73 73 GLU CB C 103 31.153 33.837 -2.684 1
1 986 . 24 1 1 A 73 73 GLU N N 103 119.538 120.266 -0.728 1
1 987 . 24 1 1 A 74 74 SER H H 104 8.742 8.706 0.036 1
1 988 . 24 1 1 A 74 74 SER HA H 104 4.598 4.845 -0.247 1
1 991 . 24 1 1 A 74 74 SER C C 104 171.916 174.173 -2.257 1
1 992 . 24 1 1 A 74 74 SER CA C 104 58.363 57.161 1.202 1
1 993 . 24 1 1 A 74 74 SER CB C 104 64.025 64.937 -0.912 1
1 994 . 24 1 1 A 74 74 SER N N 104 115.383 114.050 1.333 1
1 995 . 24 1 1 A 75 75 LYS H H 105 7.608 7.650 -0.042 1
1 996 . 24 1 1 A 75 75 LYS HA H 105 5.588 5.149 0.439 1
1 1005 . 24 1 1 A 75 75 LYS C C 105 176.017 174.779 1.238 1
1 1006 . 24 1 1 A 75 75 LYS CA C 105 54.548 55.513 -0.965 1
1 1007 . 24 1 1 A 75 75 LYS CB C 105 35.211 36.074 -0.863 1
1 1011 . 24 1 1 A 75 75 LYS N N 105 121.040 123.063 -2.023 1
1 1012 . 24 1 1 A 76 76 SER H H 106 8.231 8.905 -0.674 1
1 1013 . 24 1 1 A 76 76 SER HA H 106 3.377 3.866 -0.489 1
1 1016 . 24 1 1 A 76 76 SER C C 106 172.571 174.390 -1.819 1
1 1017 . 24 1 1 A 76 76 SER CA C 106 59.650 57.624 2.026 1
1 1018 . 24 1 1 A 76 76 SER CB C 106 64.857 64.068 0.789 1
1 1019 . 24 1 1 A 76 76 SER N N 106 121.783 119.138 2.645 1
1 1020 . 24 1 1 A 77 77 SER H H 107 8.333 9.220 -0.887 1
1 1021 . 24 1 1 A 77 77 SER HA H 107 5.025 4.650 0.375 1
1 1024 . 24 1 1 A 77 77 SER C C 107 174.507 173.514 0.993 1
1 1025 . 24 1 1 A 77 77 SER CA C 107 57.561 58.702 -1.141 1
1 1026 . 24 1 1 A 77 77 SER CB C 107 65.330 65.588 -0.258 1
1 1027 . 24 1 1 A 77 77 SER N N 107 106.276 116.700 -10.424 1
1 1028 . 24 1 1 A 78 78 TYR H H 108 7.825 7.554 0.271 1
1 1029 . 24 1 1 A 78 78 TYR HA H 108 4.754 4.802 -0.048 1
1 1036 . 24 1 1 A 78 78 TYR C C 108 171.725 173.860 -2.135 1
1 1037 . 24 1 1 A 78 78 TYR CA C 108 57.778 56.746 1.032 1
1 1038 . 24 1 1 A 78 78 TYR CB C 108 43.223 41.968 1.255 1
1 1041 . 24 1 1 A 78 78 TYR N N 108 126.289 119.638 6.651 1
1 1042 . 24 1 1 A 79 79 VAL H H 109 7.760 8.020 -0.260 1
1 1043 . 24 1 1 A 79 79 VAL HA H 109 5.215 4.837 0.378 1
1 1051 . 24 1 1 A 79 79 VAL C C 109 172.526 172.929 -0.403 1
1 1052 . 24 1 1 A 79 79 VAL CA C 109 59.193 60.172 -0.979 1
1 1053 . 24 1 1 A 79 79 VAL CB C 109 36.173 34.850 1.323 1
1 1056 . 24 1 1 A 79 79 VAL N N 109 127.825 124.783 3.042 1
1 1057 . 24 1 1 A 80 80 ILE H H 110 8.616 8.510 0.106 1
1 1058 . 24 1 1 A 80 80 ILE HA H 110 4.011 4.481 -0.470 1
1 1068 . 24 1 1 A 80 80 ILE C C 110 174.690 174.738 -0.048 1
1 1069 . 24 1 1 A 80 80 ILE CA C 110 60.922 60.014 0.908 1
1 1070 . 24 1 1 A 80 80 ILE CB C 110 42.047 41.364 0.683 1
1 1074 . 24 1 1 A 80 80 ILE N N 110 124.001 126.403 -2.402 1
1 1075 . 24 1 1 A 81 81 ASN H H 111 8.937 8.577 0.360 1
1 1076 . 24 1 1 A 81 81 ASN HA H 111 4.760 4.897 -0.137 1
1 1081 . 24 1 1 A 81 81 ASN C C 111 175.326 175.331 -0.005 1
1 1082 . 24 1 1 A 81 81 ASN CA C 111 53.600 52.524 1.076 1
1 1083 . 24 1 1 A 81 81 ASN CB C 111 40.412 39.991 0.421 1
1 1085 . 24 1 1 A 81 81 ASN N N 111 126.229 125.926 0.303 1
1 1087 . 24 1 1 A 82 82 GLY H H 112 7.984 8.004 -0.020 1
1 1088 . 24 1 1 A 82 82 GLY HA2 H 112 4.457 4.207 0.250 1
1 1089 . 24 1 1 A 82 82 GLY HA3 H 112 3.847 4.237 -0.390 1
1 1090 . 24 1 1 A 82 82 GLY C C 112 171.875 172.648 -0.773 1
1 1091 . 24 1 1 A 82 82 GLY CA C 112 43.303 45.335 -2.032 1
1 1092 . 24 1 1 A 82 82 GLY N N 112 110.894 108.571 2.323 1
1 1093 . 24 1 1 A 83 83 PRO HA H 113 4.609 4.742 -0.133 1
1 1100 . 24 1 1 A 83 83 PRO C C 113 178.327 177.854 0.473 1
1 1101 . 24 1 1 A 83 83 PRO CA C 113 63.342 62.859 0.483 1
1 1102 . 24 1 1 A 83 83 PRO CB C 113 32.232 32.283 -0.051 1
1 1105 . 24 1 1 A 84 84 GLY H H 114 8.939 8.790 0.149 1
1 1106 . 24 1 1 A 84 84 GLY HA2 H 114 4.055 3.914 0.141 1
1 1107 . 24 1 1 A 84 84 GLY HA3 H 114 3.192 3.994 -0.802 1
1 1108 . 24 1 1 A 84 84 GLY C C 114 172.587 175.485 -2.898 1
1 1109 . 24 1 1 A 84 84 GLY CA C 114 44.667 45.317 -0.650 1
1 1110 . 24 1 1 A 84 84 GLY N N 114 109.324 111.504 -2.180 1
1 1111 . 24 1 1 A 85 85 LYS H H 115 9.550 8.218 1.332 1
1 1112 . 24 1 1 A 85 85 LYS HA H 115 4.527 3.871 0.656 1
1 1121 . 24 1 1 A 85 85 LYS C C 115 175.690 174.314 1.376 1
1 1122 . 24 1 1 A 85 85 LYS CA C 115 56.251 57.946 -1.695 1
1 1123 . 24 1 1 A 85 85 LYS CB C 115 34.217 30.321 3.896 1
1 1127 . 24 1 1 A 85 85 LYS N N 115 119.240 115.716 3.524 1
1 1128 . 24 1 1 A 86 86 THR H H 116 7.327 7.772 -0.445 1
1 1129 . 24 1 1 A 86 86 THR HA H 116 3.572 3.972 -0.400 1
1 1134 . 24 1 1 A 86 86 THR C C 116 170.519 172.733 -2.214 1
1 1135 . 24 1 1 A 86 86 THR CA C 116 59.094 60.131 -1.037 1
1 1136 . 24 1 1 A 86 86 THR CB C 116 68.191 69.955 -1.764 1
1 1138 . 24 1 1 A 86 86 THR N N 116 113.403 109.453 3.950 1
1 1139 . 24 1 1 A 87 87 ASN H H 117 8.035 8.551 -0.516 1
1 1140 . 24 1 1 A 87 87 ASN HA H 117 4.914 4.843 0.071 1
1 1145 . 24 1 1 A 87 87 ASN C C 117 175.798 175.736 0.062 1
1 1146 . 24 1 1 A 87 87 ASN CA C 117 52.062 55.005 -2.943 1
1 1147 . 24 1 1 A 87 87 ASN CB C 117 40.563 38.521 2.042 1
1 1149 . 24 1 1 A 87 87 ASN N N 117 118.907 123.560 -4.653 1
1 1151 . 24 1 1 A 88 88 GLU H H 118 8.362 7.511 0.851 1
1 1152 . 24 1 1 A 88 88 GLU HA H 118 4.116 4.435 -0.319 1
1 1157 . 24 1 1 A 88 88 GLU C C 118 175.935 175.378 0.557 1
1 1158 . 24 1 1 A 88 88 GLU CA C 118 55.589 56.227 -0.638 1
1 1159 . 24 1 1 A 88 88 GLU CB C 118 29.435 29.223 0.212 1
1 1161 . 24 1 1 A 88 88 GLU N N 118 119.547 116.830 2.717 1
1 1162 . 24 1 1 A 89 89 TYR H H 119 7.918 8.016 -0.098 1
1 1163 . 24 1 1 A 89 89 TYR HA H 119 4.639 4.463 0.176 1
1 1170 . 24 1 1 A 89 89 TYR C C 119 175.750 176.035 -0.285 1
1 1171 . 24 1 1 A 89 89 TYR CA C 119 59.270 58.895 0.375 1
1 1172 . 24 1 1 A 89 89 TYR CB C 119 38.274 36.947 1.327 1
1 1175 . 24 1 1 A 89 89 TYR N N 119 118.293 117.186 1.107 1
1 1176 . 24 1 1 A 90 90 ALA H H 120 8.285 8.219 0.066 1
1 1177 . 24 1 1 A 90 90 ALA HA H 120 4.273 4.684 -0.411 1
1 1181 . 24 1 1 A 90 90 ALA C C 120 175.773 176.266 -0.493 1
1 1182 . 24 1 1 A 90 90 ALA CA C 120 52.014 51.520 0.494 1
1 1183 . 24 1 1 A 90 90 ALA CB C 120 19.920 20.289 -0.369 1
1 1184 . 24 1 1 A 90 90 ALA N N 120 126.212 129.421 -3.209 1
1 11 . 25 1 1 A 2 2 SER HA H 32 4.469 4.841 -0.372 1
1 14 . 25 1 1 A 2 2 SER C C 32 174.865 174.633 0.232 1
1 15 . 25 1 1 A 2 2 SER CA C 32 58.680 57.589 1.091 1
1 16 . 25 1 1 A 2 2 SER CB C 32 63.805 64.484 -0.679 1
1 17 . 25 1 1 A 3 3 GLY H H 33 8.513 7.998 0.515 1
1 18 . 25 1 1 A 3 3 GLY HA2 H 33 3.972 4.004 -0.032 1
1 19 . 25 1 1 A 3 3 GLY HA3 H 33 3.972 4.009 -0.037 1
1 20 . 25 1 1 A 3 3 GLY C C 33 173.735 172.856 0.879 1
1 21 . 25 1 1 A 3 3 GLY CA C 33 45.132 44.896 0.236 1
1 22 . 25 1 1 A 3 3 GLY N N 33 110.526 108.284 2.242 1
1 23 . 25 1 1 A 4 4 LEU H H 34 8.145 8.355 -0.210 1
1 24 . 25 1 1 A 4 4 LEU HA H 34 4.599 5.007 -0.408 1
1 34 . 25 1 1 A 4 4 LEU C C 34 175.201 174.200 1.001 1
1 35 . 25 1 1 A 4 4 LEU CA C 34 53.002 51.722 1.280 1
1 36 . 25 1 1 A 4 4 LEU CB C 34 41.772 43.258 -1.486 1
1 40 . 25 1 1 A 4 4 LEU N N 34 122.423 119.848 2.575 1
1 41 . 25 1 1 A 5 5 PRO HA H 35 4.551 4.833 -0.282 1
1 48 . 25 1 1 A 5 5 PRO C C 35 176.487 176.323 0.164 1
1 49 . 25 1 1 A 5 5 PRO CA C 35 62.771 62.388 0.383 1
1 50 . 25 1 1 A 5 5 PRO CB C 35 32.488 33.483 -0.995 1
1 53 . 25 1 1 A 6 6 THR H H 36 8.447 8.466 -0.019 1
1 54 . 25 1 1 A 6 6 THR HA H 36 4.445 4.523 -0.078 1
1 59 . 25 1 1 A 6 6 THR C C 36 174.231 173.851 0.380 1
1 60 . 25 1 1 A 6 6 THR CA C 36 61.727 61.347 0.380 1
1 61 . 25 1 1 A 6 6 THR CB C 36 69.213 71.326 -2.113 1
1 63 . 25 1 1 A 6 6 THR N N 36 111.916 114.806 -2.890 1
1 64 . 25 1 1 A 7 7 THR H H 37 7.303 7.357 -0.054 1
1 65 . 25 1 1 A 7 7 THR HA H 37 5.232 4.902 0.330 1
1 70 . 25 1 1 A 7 7 THR C C 37 175.848 174.582 1.266 1
1 71 . 25 1 1 A 7 7 THR CA C 37 58.599 59.428 -0.829 1
1 72 . 25 1 1 A 7 7 THR CB C 37 71.971 72.273 -0.302 1
1 74 . 25 1 1 A 7 7 THR N N 37 110.288 111.713 -1.425 1
1 75 . 25 1 1 A 8 8 LEU H H 38 9.065 8.442 0.623 1
1 76 . 25 1 1 A 8 8 LEU HA H 38 3.829 3.894 -0.065 1
1 86 . 25 1 1 A 8 8 LEU C C 38 177.964 179.369 -1.405 1
1 87 . 25 1 1 A 8 8 LEU CA C 38 57.613 57.708 -0.095 1
1 88 . 25 1 1 A 8 8 LEU CB C 38 41.058 41.122 -0.064 1
1 92 . 25 1 1 A 8 8 LEU N N 38 122.441 123.088 -0.647 1
1 93 . 25 1 1 A 9 9 GLY H H 39 8.753 8.194 0.559 1
1 94 . 25 1 1 A 9 9 GLY HA2 H 39 3.969 3.798 0.171 1
1 95 . 25 1 1 A 9 9 GLY HA3 H 39 3.769 3.800 -0.031 1
1 96 . 25 1 1 A 9 9 GLY C C 39 176.615 176.266 0.349 1
1 97 . 25 1 1 A 9 9 GLY CA C 39 47.314 46.991 0.323 1
1 98 . 25 1 1 A 9 9 GLY N N 39 104.356 106.347 -1.991 1
1 99 . 25 1 1 A 10 10 LYS H H 40 7.341 7.599 -0.258 1
1 100 . 25 1 1 A 10 10 LYS HA H 40 4.241 4.104 0.137 1
1 109 . 25 1 1 A 10 10 LYS C C 40 179.292 179.222 0.070 1
1 110 . 25 1 1 A 10 10 LYS CA C 40 58.108 59.215 -1.107 1
1 111 . 25 1 1 A 10 10 LYS CB C 40 32.346 32.868 -0.522 1
1 115 . 25 1 1 A 10 10 LYS N N 40 120.741 122.426 -1.685 1
1 116 . 25 1 1 A 11 11 LEU H H 41 8.033 7.774 0.259 1
1 117 . 25 1 1 A 11 11 LEU HA H 41 4.059 3.939 0.120 1
1 127 . 25 1 1 A 11 11 LEU C C 41 177.253 177.774 -0.521 1
1 128 . 25 1 1 A 11 11 LEU CA C 41 57.978 57.763 0.215 1
1 129 . 25 1 1 A 11 11 LEU CB C 41 41.760 41.599 0.161 1
1 133 . 25 1 1 A 11 11 LEU N N 41 121.501 121.349 0.152 1
1 134 . 25 1 1 A 12 12 ASP H H 42 9.025 8.645 0.380 1
1 135 . 25 1 1 A 12 12 ASP HA H 42 4.045 4.211 -0.166 1
1 138 . 25 1 1 A 12 12 ASP C C 42 176.536 178.518 -1.982 1
1 139 . 25 1 1 A 12 12 ASP CA C 42 58.740 57.983 0.757 1
1 140 . 25 1 1 A 12 12 ASP CB C 42 44.783 41.352 3.431 1
1 141 . 25 1 1 A 12 12 ASP N N 42 119.776 119.020 0.756 1
1 142 . 25 1 1 A 13 13 GLU H H 43 7.253 8.375 -1.122 1
1 143 . 25 1 1 A 13 13 GLU HA H 43 3.869 4.005 -0.136 1
1 148 . 25 1 1 A 13 13 GLU C C 43 178.916 178.878 0.038 1
1 149 . 25 1 1 A 13 13 GLU CA C 43 59.511 59.444 0.067 1
1 150 . 25 1 1 A 13 13 GLU CB C 43 30.131 29.065 1.066 1
1 152 . 25 1 1 A 13 13 GLU N N 43 116.304 118.831 -2.527 1
1 153 . 25 1 1 A 14 14 ARG H H 44 7.234 7.445 -0.211 1
1 154 . 25 1 1 A 14 14 ARG HA H 44 3.920 4.109 -0.189 1
1 163 . 25 1 1 A 14 14 ARG C C 44 177.609 178.543 -0.934 1
1 164 . 25 1 1 A 14 14 ARG CA C 44 58.607 59.123 -0.516 1
1 165 . 25 1 1 A 14 14 ARG CB C 44 30.304 29.921 0.383 1
1 168 . 25 1 1 A 14 14 ARG N N 44 118.267 119.365 -1.098 1
1 171 . 25 1 1 A 15 15 LEU H H 45 8.734 8.483 0.251 1
1 172 . 25 1 1 A 15 15 LEU HA H 45 3.809 3.751 0.058 1
1 182 . 25 1 1 A 15 15 LEU C C 45 179.204 179.328 -0.124 1
1 183 . 25 1 1 A 15 15 LEU CA C 45 58.248 57.949 0.299 1
1 184 . 25 1 1 A 15 15 LEU CB C 45 42.076 41.626 0.450 1
1 188 . 25 1 1 A 15 15 LEU N N 45 117.856 119.800 -1.944 1
1 189 . 25 1 1 A 16 16 ARG H H 46 8.280 8.267 0.013 1
1 190 . 25 1 1 A 16 16 ARG HA H 46 3.863 4.011 -0.148 1
1 200 . 25 1 1 A 16 16 ARG C C 46 179.432 178.546 0.886 1
1 201 . 25 1 1 A 16 16 ARG CA C 46 60.779 59.452 1.327 1
1 202 . 25 1 1 A 16 16 ARG CB C 46 29.824 29.976 -0.152 1
1 205 . 25 1 1 A 16 16 ARG N N 46 115.954 120.257 -4.303 1
1 209 . 25 1 1 A 17 17 ASN H H 47 7.433 7.808 -0.375 1
1 210 . 25 1 1 A 17 17 ASN HA H 47 4.458 4.568 -0.110 1
1 215 . 25 1 1 A 17 17 ASN C C 47 177.657 178.086 -0.429 1
1 216 . 25 1 1 A 17 17 ASN CA C 47 56.297 56.162 0.135 1
1 217 . 25 1 1 A 17 17 ASN CB C 47 38.540 38.472 0.068 1
1 219 . 25 1 1 A 17 17 ASN N N 47 118.514 117.366 1.148 1
1 221 . 25 1 1 A 18 18 TYR H H 48 8.945 8.648 0.297 1
1 222 . 25 1 1 A 18 18 TYR HA H 48 4.184 4.325 -0.141 1
1 229 . 25 1 1 A 18 18 TYR C C 48 177.806 178.565 -0.759 1
1 230 . 25 1 1 A 18 18 TYR CA C 48 58.651 60.706 -2.055 1
1 231 . 25 1 1 A 18 18 TYR CB C 48 36.527 37.764 -1.237 1
1 234 . 25 1 1 A 18 18 TYR N N 48 121.714 119.348 2.366 1
1 235 . 25 1 1 A 19 19 LEU H H 49 8.293 8.240 0.053 1
1 236 . 25 1 1 A 19 19 LEU HA H 49 3.410 3.617 -0.207 1
1 246 . 25 1 1 A 19 19 LEU C C 49 179.153 178.953 0.200 1
1 247 . 25 1 1 A 19 19 LEU CA C 49 57.822 58.459 -0.637 1
1 248 . 25 1 1 A 19 19 LEU CB C 49 41.929 41.234 0.695 1
1 252 . 25 1 1 A 19 19 LEU N N 49 119.284 120.149 -0.865 1
1 253 . 25 1 1 A 20 20 LYS H H 50 7.322 8.068 -0.746 1
1 254 . 25 1 1 A 20 20 LYS HA H 50 3.893 3.925 -0.032 1
1 263 . 25 1 1 A 20 20 LYS C C 50 177.980 179.277 -1.297 1
1 264 . 25 1 1 A 20 20 LYS CA C 50 59.104 59.846 -0.742 1
1 265 . 25 1 1 A 20 20 LYS CB C 50 32.348 32.128 0.220 1
1 269 . 25 1 1 A 20 20 LYS N N 50 117.005 118.025 -1.020 1
1 270 . 25 1 1 A 21 21 LYS H H 51 7.435 7.782 -0.347 1
1 271 . 25 1 1 A 21 21 LYS HA H 51 4.080 4.022 0.058 1
1 280 . 25 1 1 A 21 21 LYS C C 51 178.971 178.114 0.857 1
1 281 . 25 1 1 A 21 21 LYS CA C 51 57.418 58.782 -1.364 1
1 282 . 25 1 1 A 21 21 LYS CB C 51 32.675 32.310 0.365 1
1 286 . 25 1 1 A 21 21 LYS N N 51 115.946 118.785 -2.839 1
1 287 . 25 1 1 A 22 22 GLY H H 52 8.290 8.065 0.225 1
1 288 . 25 1 1 A 22 22 GLY HA2 H 52 3.897 3.954 -0.057 1
1 289 . 25 1 1 A 22 22 GLY HA3 H 52 4.181 4.010 0.171 1
1 290 . 25 1 1 A 22 22 GLY C C 52 173.610 174.035 -0.425 1
1 291 . 25 1 1 A 22 22 GLY CA C 52 45.088 45.394 -0.306 1
1 292 . 25 1 1 A 22 22 GLY N N 52 105.432 107.883 -2.451 1
1 293 . 25 1 1 A 23 23 THR H H 53 7.148 7.239 -0.091 1
1 294 . 25 1 1 A 23 23 THR HA H 53 4.838 4.616 0.222 1
1 300 . 25 1 1 A 23 23 THR C C 53 174.444 174.530 -0.086 1
1 301 . 25 1 1 A 23 23 THR CA C 53 59.766 59.621 0.145 1
1 302 . 25 1 1 A 23 23 THR CB C 53 72.471 71.508 0.963 1
1 304 . 25 1 1 A 23 23 THR N N 53 107.608 111.255 -3.647 1
1 305 . 25 1 1 A 24 24 LYS H H 54 8.414 8.701 -0.287 1
1 306 . 25 1 1 A 24 24 LYS HA H 54 4.355 4.226 0.129 1
1 315 . 25 1 1 A 24 24 LYS C C 54 177.632 176.784 0.848 1
1 316 . 25 1 1 A 24 24 LYS CA C 54 57.393 57.506 -0.113 1
1 317 . 25 1 1 A 24 24 LYS CB C 54 32.806 32.882 -0.076 1
1 321 . 25 1 1 A 24 24 LYS N N 54 118.924 119.141 -0.217 1
1 322 . 25 1 1 A 25 25 ASN H H 55 7.823 7.840 -0.017 1
1 323 . 25 1 1 A 25 25 ASN HA H 55 4.992 4.921 0.071 1
1 328 . 25 1 1 A 25 25 ASN C C 55 174.882 175.121 -0.239 1
1 329 . 25 1 1 A 25 25 ASN CA C 55 51.540 52.804 -1.264 1
1 330 . 25 1 1 A 25 25 ASN CB C 55 38.209 40.536 -2.327 1
1 332 . 25 1 1 A 25 25 ASN N N 55 116.576 116.505 0.071 1
1 334 . 25 1 1 A 26 26 SER H H 56 8.557 8.867 -0.310 1
1 335 . 25 1 1 A 26 26 SER HA H 56 4.145 4.487 -0.342 1
1 338 . 25 1 1 A 26 26 SER C C 56 176.886 176.084 0.802 1
1 339 . 25 1 1 A 26 26 SER CA C 56 61.051 60.805 0.246 1
1 340 . 25 1 1 A 26 26 SER CB C 56 62.398 63.061 -0.663 1
1 341 . 25 1 1 A 26 26 SER N N 56 118.968 121.126 -2.158 1
1 342 . 25 1 1 A 27 27 ALA H H 57 8.133 8.093 0.040 1
1 343 . 25 1 1 A 27 27 ALA HA H 57 4.277 4.221 0.056 1
1 347 . 25 1 1 A 27 27 ALA C C 57 177.779 179.195 -1.416 1
1 348 . 25 1 1 A 27 27 ALA CA C 57 54.020 54.023 -0.003 1
1 349 . 25 1 1 A 27 27 ALA CB C 57 18.258 18.398 -0.140 1
1 350 . 25 1 1 A 27 27 ALA N N 57 125.334 122.486 2.848 1
1 351 . 25 1 1 A 28 28 GLN H H 58 7.113 8.158 -1.045 1
1 352 . 25 1 1 A 28 28 GLN HA H 58 4.262 4.157 0.105 1
1 359 . 25 1 1 A 28 28 GLN C C 58 174.984 176.041 -1.057 1
1 360 . 25 1 1 A 28 28 GLN CA C 58 56.272 57.293 -1.021 1
1 361 . 25 1 1 A 28 28 GLN CB C 58 28.627 27.907 0.720 1
1 364 . 25 1 1 A 28 28 GLN N N 58 112.472 114.380 -1.908 1
1 366 . 25 1 1 A 29 29 PHE H H 59 7.361 7.466 -0.105 1
1 367 . 25 1 1 A 29 29 PHE HA H 59 4.622 4.799 -0.177 1
1 375 . 25 1 1 A 29 29 PHE C C 59 173.987 175.949 -1.962 1
1 376 . 25 1 1 A 29 29 PHE CA C 59 59.534 58.888 0.646 1
1 377 . 25 1 1 A 29 29 PHE CB C 59 38.939 40.175 -1.236 1
1 381 . 25 1 1 A 29 29 PHE N N 59 118.258 119.421 -1.163 1
1 382 . 25 1 1 A 30 30 GLU H H 60 9.228 9.244 -0.016 1
1 383 . 25 1 1 A 30 30 GLU HA H 60 4.479 4.789 -0.310 1
1 388 . 25 1 1 A 30 30 GLU C C 60 176.282 175.801 0.481 1
1 389 . 25 1 1 A 30 30 GLU CA C 60 57.063 56.584 0.479 1
1 390 . 25 1 1 A 30 30 GLU CB C 60 33.512 32.035 1.477 1
1 392 . 25 1 1 A 30 30 GLU N N 60 125.247 119.578 5.669 1
1 393 . 25 1 1 A 31 31 LYS H H 61 7.998 7.634 0.364 1
1 394 . 25 1 1 A 31 31 LYS HA H 61 5.074 4.895 0.179 1
1 403 . 25 1 1 A 31 31 LYS C C 61 172.325 174.507 -2.182 1
1 404 . 25 1 1 A 31 31 LYS CA C 61 54.881 55.104 -0.223 1
1 405 . 25 1 1 A 31 31 LYS CB C 61 35.683 35.633 0.050 1
1 409 . 25 1 1 A 31 31 LYS N N 61 113.709 117.668 -3.959 1
1 410 . 25 1 1 A 32 32 MET H H 62 9.051 9.238 -0.187 1
1 411 . 25 1 1 A 32 32 MET HA H 62 5.630 5.394 0.236 1
1 419 . 25 1 1 A 32 32 MET C C 62 172.898 174.207 -1.309 1
1 420 . 25 1 1 A 32 32 MET CA C 62 53.043 53.403 -0.360 1
1 421 . 25 1 1 A 32 32 MET CB C 62 35.214 35.447 -0.233 1
1 424 . 25 1 1 A 32 32 MET N N 62 118.635 119.137 -0.502 1
1 425 . 25 1 1 A 33 33 VAL H H 63 9.186 8.906 0.280 1
1 426 . 25 1 1 A 33 33 VAL HA H 63 4.700 4.919 -0.219 1
1 434 . 25 1 1 A 33 33 VAL C C 63 174.133 173.753 0.380 1
1 435 . 25 1 1 A 33 33 VAL CA C 63 61.351 60.087 1.264 1
1 436 . 25 1 1 A 33 33 VAL CB C 63 34.651 35.515 -0.864 1
1 439 . 25 1 1 A 33 33 VAL N N 63 122.441 119.136 3.305 1
1 440 . 25 1 1 A 34 34 ILE H H 64 9.244 9.102 0.142 1
1 441 . 25 1 1 A 34 34 ILE HA H 64 4.302 4.875 -0.573 1
1 451 . 25 1 1 A 34 34 ILE C C 64 174.924 174.548 0.376 1
1 452 . 25 1 1 A 34 34 ILE CA C 64 60.422 59.508 0.914 1
1 453 . 25 1 1 A 34 34 ILE CB C 64 41.255 40.718 0.537 1
1 457 . 25 1 1 A 34 34 ILE N N 64 127.876 128.517 -0.641 1
1 458 . 25 1 1 A 35 35 LEU H H 65 9.117 9.393 -0.276 1
1 459 . 25 1 1 A 35 35 LEU HA H 65 5.531 5.567 -0.036 1
1 469 . 25 1 1 A 35 35 LEU C C 65 178.538 176.250 2.288 1
1 470 . 25 1 1 A 35 35 LEU CA C 65 53.047 53.180 -0.133 1
1 471 . 25 1 1 A 35 35 LEU CB C 65 43.797 43.593 0.204 1
1 475 . 25 1 1 A 35 35 LEU N N 65 125.572 127.380 -1.808 1
1 476 . 25 1 1 A 36 36 THR H H 66 8.634 8.866 -0.232 1
1 477 . 25 1 1 A 36 36 THR HA H 66 5.212 5.403 -0.191 1
1 482 . 25 1 1 A 36 36 THR C C 66 174.918 174.400 0.518 1
1 483 . 25 1 1 A 36 36 THR CA C 66 59.374 59.498 -0.124 1
1 484 . 25 1 1 A 36 36 THR CB C 66 72.100 71.590 0.510 1
1 486 . 25 1 1 A 36 36 THR N N 66 112.840 115.388 -2.548 1
1 487 . 25 1 1 A 37 37 GLU H H 67 8.580 8.730 -0.150 1
1 488 . 25 1 1 A 37 37 GLU HA H 67 4.469 4.259 0.210 1
1 493 . 25 1 1 A 37 37 GLU C C 67 177.333 176.744 0.589 1
1 494 . 25 1 1 A 37 37 GLU CA C 67 57.348 56.240 1.108 1
1 495 . 25 1 1 A 37 37 GLU CB C 67 31.357 30.494 0.863 1
1 497 . 25 1 1 A 37 37 GLU N N 67 118.675 121.725 -3.050 1
1 498 . 25 1 1 A 38 38 ASN H H 68 8.580 8.863 -0.283 1
1 499 . 25 1 1 A 38 38 ASN HA H 68 3.768 3.981 -0.213 1
1 504 . 25 1 1 A 38 38 ASN C C 68 172.921 174.447 -1.526 1
1 505 . 25 1 1 A 38 38 ASN CA C 68 54.686 54.265 0.421 1
1 506 . 25 1 1 A 38 38 ASN CB C 68 36.511 36.511 0.000 1
1 508 . 25 1 1 A 38 38 ASN N N 68 114.341 117.278 -2.937 1
1 510 . 25 1 1 A 39 39 LYS H H 69 7.891 8.351 -0.460 1
1 511 . 25 1 1 A 39 39 LYS HA H 69 3.936 3.978 -0.042 1
1 520 . 25 1 1 A 39 39 LYS C C 69 177.032 176.185 0.847 1
1 521 . 25 1 1 A 39 39 LYS CA C 69 56.758 57.626 -0.868 1
1 522 . 25 1 1 A 39 39 LYS CB C 69 28.099 30.014 -1.915 1
1 526 . 25 1 1 A 39 39 LYS N N 69 107.932 109.592 -1.660 1
1 527 . 25 1 1 A 40 40 GLY H H 70 6.998 7.530 -0.532 1
1 528 . 25 1 1 A 40 40 GLY HA2 H 70 4.362 3.835 0.527 1
1 529 . 25 1 1 A 40 40 GLY HA3 H 70 3.875 4.004 -0.129 1
1 530 . 25 1 1 A 40 40 GLY C C 70 173.763 172.150 1.613 1
1 531 . 25 1 1 A 40 40 GLY CA C 70 46.628 45.874 0.754 1
1 532 . 25 1 1 A 40 40 GLY N N 70 107.011 107.340 -0.329 1
1 533 . 25 1 1 A 41 41 TYR H H 71 7.679 8.396 -0.717 1
1 534 . 25 1 1 A 41 41 TYR HA H 71 5.097 5.142 -0.045 1
1 541 . 25 1 1 A 41 41 TYR C C 71 174.452 173.072 1.380 1
1 542 . 25 1 1 A 41 41 TYR CA C 71 57.730 56.491 1.239 1
1 543 . 25 1 1 A 41 41 TYR CB C 71 40.474 41.378 -0.904 1
1 546 . 25 1 1 A 41 41 TYR N N 71 129.822 123.486 6.336 1
1 547 . 25 1 1 A 42 42 TYR H H 72 9.101 9.068 0.033 1
1 548 . 25 1 1 A 42 42 TYR HA H 72 4.875 4.970 -0.095 1
1 555 . 25 1 1 A 42 42 TYR C C 72 174.448 173.927 0.521 1
1 556 . 25 1 1 A 42 42 TYR CA C 72 56.114 56.305 -0.191 1
1 557 . 25 1 1 A 42 42 TYR CB C 72 41.115 40.694 0.421 1
1 560 . 25 1 1 A 42 42 TYR N N 72 126.527 127.230 -0.703 1
1 561 . 25 1 1 A 43 43 THR H H 73 9.022 8.860 0.162 1
1 562 . 25 1 1 A 43 43 THR HA H 73 4.876 5.226 -0.350 1
1 567 . 25 1 1 A 43 43 THR C C 73 174.791 172.607 2.184 1
1 568 . 25 1 1 A 43 43 THR CA C 73 62.821 59.314 3.507 1
1 569 . 25 1 1 A 43 43 THR CB C 73 68.769 70.927 -2.158 1
1 571 . 25 1 1 A 43 43 THR N N 73 120.810 118.569 2.241 1
1 572 . 25 1 1 A 44 44 VAL H H 74 9.233 9.160 0.073 1
1 573 . 25 1 1 A 44 44 VAL HA H 74 4.427 4.551 -0.124 1
1 581 . 25 1 1 A 44 44 VAL C C 74 175.094 174.530 0.564 1
1 582 . 25 1 1 A 44 44 VAL CA C 74 61.457 61.112 0.345 1
1 583 . 25 1 1 A 44 44 VAL CB C 74 35.669 35.178 0.491 1
1 586 . 25 1 1 A 44 44 VAL N N 74 129.156 126.870 2.286 1
1 587 . 25 1 1 A 45 45 TYR H H 75 9.384 8.904 0.480 1
1 588 . 25 1 1 A 45 45 TYR HA H 75 4.528 4.788 -0.260 1
1 595 . 25 1 1 A 45 45 TYR C C 75 176.497 176.284 0.213 1
1 596 . 25 1 1 A 45 45 TYR CA C 75 59.843 58.551 1.292 1
1 597 . 25 1 1 A 45 45 TYR CB C 75 38.245 38.835 -0.590 1
1 600 . 25 1 1 A 45 45 TYR N N 75 128.465 127.053 1.412 1
1 601 . 25 1 1 A 46 46 LEU H H 76 8.524 9.247 -0.723 1
1 602 . 25 1 1 A 46 46 LEU HA H 76 4.528 4.403 0.125 1
1 612 . 25 1 1 A 46 46 LEU C C 76 177.001 178.077 -1.076 1
1 613 . 25 1 1 A 46 46 LEU CA C 76 55.010 56.002 -0.992 1
1 614 . 25 1 1 A 46 46 LEU CB C 76 42.094 41.410 0.684 1
1 618 . 25 1 1 A 46 46 LEU N N 76 119.547 125.099 -5.552 1
1 619 . 25 1 1 A 47 47 ASN H H 77 8.599 8.304 0.295 1
1 620 . 25 1 1 A 47 47 ASN HA H 77 4.618 4.724 -0.106 1
1 625 . 25 1 1 A 47 47 ASN C C 77 173.844 175.203 -1.359 1
1 626 . 25 1 1 A 47 47 ASN CA C 77 54.045 54.789 -0.744 1
1 627 . 25 1 1 A 47 47 ASN CB C 77 37.058 38.202 -1.144 1
1 629 . 25 1 1 A 47 47 ASN N N 77 116.407 115.646 0.761 1
1 631 . 25 1 1 A 48 48 THR H H 78 7.429 7.572 -0.143 1
1 632 . 25 1 1 A 48 48 THR HA H 78 4.803 4.996 -0.193 1
1 637 . 25 1 1 A 48 48 THR C C 78 175.201 171.854 3.347 1
1 638 . 25 1 1 A 48 48 THR CA C 78 58.577 58.657 -0.080 1
1 639 . 25 1 1 A 48 48 THR CB C 78 70.494 70.554 -0.060 1
1 641 . 25 1 1 A 48 48 THR N N 78 111.551 110.827 0.724 1
1 642 . 25 1 1 A 49 49 PRO HA H 79 4.462 4.579 -0.117 1
1 649 . 25 1 1 A 49 49 PRO C C 79 176.670 176.680 -0.010 1
1 650 . 25 1 1 A 49 49 PRO CA C 79 62.384 62.633 -0.249 1
1 651 . 25 1 1 A 49 49 PRO CB C 79 32.205 32.206 -0.001 1
1 654 . 25 1 1 A 50 50 LEU H H 80 9.049 8.295 0.754 1
1 655 . 25 1 1 A 50 50 LEU HA H 80 4.081 4.267 -0.186 1
1 665 . 25 1 1 A 50 50 LEU C C 80 176.758 175.545 1.213 1
1 666 . 25 1 1 A 50 50 LEU CA C 80 55.315 55.724 -0.409 1
1 667 . 25 1 1 A 50 50 LEU CB C 80 41.915 42.825 -0.910 1
1 671 . 25 1 1 A 50 50 LEU N N 80 126.341 123.591 2.750 1
1 672 . 25 1 1 A 51 51 ALA H H 81 8.415 8.273 0.142 1
1 673 . 25 1 1 A 51 51 ALA HA H 81 4.187 4.732 -0.545 1
1 677 . 25 1 1 A 51 51 ALA C C 81 179.005 177.421 1.584 1
1 678 . 25 1 1 A 51 51 ALA CA C 81 52.851 49.852 2.999 1
1 679 . 25 1 1 A 51 51 ALA CB C 81 19.625 22.696 -3.071 1
1 680 . 25 1 1 A 51 51 ALA N N 81 129.745 127.608 2.137 1
1 681 . 25 1 1 A 52 52 GLU H H 82 8.739 9.205 -0.466 1
1 682 . 25 1 1 A 52 52 GLU HA H 82 3.815 3.931 -0.116 1
1 687 . 25 1 1 A 52 52 GLU C C 82 178.591 178.408 0.183 1
1 688 . 25 1 1 A 52 52 GLU CA C 82 59.566 59.436 0.130 1
1 689 . 25 1 1 A 52 52 GLU CB C 82 29.774 29.297 0.477 1
1 691 . 25 1 1 A 52 52 GLU N N 82 121.424 120.762 0.662 1
1 692 . 25 1 1 A 53 53 ASP H H 83 8.511 8.193 0.318 1
1 693 . 25 1 1 A 53 53 ASP HA H 83 4.427 4.412 0.015 1
1 696 . 25 1 1 A 53 53 ASP C C 83 177.306 179.018 -1.712 1
1 697 . 25 1 1 A 53 53 ASP CA C 83 55.398 56.883 -1.485 1
1 698 . 25 1 1 A 53 53 ASP CB C 83 39.430 40.056 -0.626 1
1 699 . 25 1 1 A 53 53 ASP N N 83 114.043 119.711 -5.668 1
1 700 . 25 1 1 A 54 54 ARG H H 84 7.800 7.632 0.168 1
1 701 . 25 1 1 A 54 54 ARG HA H 84 4.527 4.097 0.430 1
1 710 . 25 1 1 A 54 54 ARG C C 84 176.966 178.454 -1.488 1
1 711 . 25 1 1 A 54 54 ARG CA C 84 55.915 58.696 -2.781 1
1 712 . 25 1 1 A 54 54 ARG CB C 84 31.804 30.082 1.722 1
1 715 . 25 1 1 A 54 54 ARG N N 84 118.147 119.471 -1.324 1
1 718 . 25 1 1 A 55 55 LYS H H 85 7.335 7.651 -0.316 1
1 719 . 25 1 1 A 55 55 LYS HA H 85 3.551 4.125 -0.574 1
1 728 . 25 1 1 A 55 55 LYS C C 85 178.113 177.509 0.604 1
1 729 . 25 1 1 A 55 55 LYS CA C 85 59.887 58.572 1.315 1
1 730 . 25 1 1 A 55 55 LYS CB C 85 32.935 32.292 0.643 1
1 734 . 25 1 1 A 55 55 LYS N N 85 116.576 118.453 -1.877 1
1 735 . 25 1 1 A 56 56 ASN H H 86 8.347 7.589 0.758 1
1 736 . 25 1 1 A 56 56 ASN HA H 86 4.886 4.919 -0.033 1
1 741 . 25 1 1 A 56 56 ASN C C 86 174.736 175.045 -0.309 1
1 742 . 25 1 1 A 56 56 ASN CA C 86 52.265 52.815 -0.550 1
1 743 . 25 1 1 A 56 56 ASN CB C 86 38.239 40.292 -2.053 1
1 745 . 25 1 1 A 56 56 ASN N N 86 114.341 115.352 -1.011 1
1 747 . 25 1 1 A 57 57 VAL H H 87 6.985 7.336 -0.351 1
1 748 . 25 1 1 A 57 57 VAL HA H 87 3.746 3.977 -0.231 1
1 756 . 25 1 1 A 57 57 VAL C C 87 175.380 175.983 -0.603 1
1 757 . 25 1 1 A 57 57 VAL CA C 87 63.723 62.663 1.060 1
1 758 . 25 1 1 A 57 57 VAL CB C 87 32.650 32.948 -0.298 1
1 761 . 25 1 1 A 57 57 VAL N N 87 121.424 121.888 -0.464 1
1 762 . 25 1 1 A 58 58 GLU H H 88 8.777 8.497 0.280 1
1 763 . 25 1 1 A 58 58 GLU HA H 88 4.339 4.577 -0.238 1
1 768 . 25 1 1 A 58 58 GLU C C 88 176.364 176.590 -0.226 1
1 769 . 25 1 1 A 58 58 GLU CA C 88 56.085 56.092 -0.007 1
1 770 . 25 1 1 A 58 58 GLU CB C 88 29.861 31.256 -1.395 1
1 772 . 25 1 1 A 58 58 GLU N N 88 129.489 126.954 2.535 1
1 773 . 25 1 1 A 59 59 LEU H H 89 8.230 8.876 -0.646 1
1 774 . 25 1 1 A 59 59 LEU HA H 89 4.299 4.518 -0.219 1
1 784 . 25 1 1 A 59 59 LEU C C 89 178.976 177.647 1.329 1
1 785 . 25 1 1 A 59 59 LEU CA C 89 54.651 54.070 0.581 1
1 786 . 25 1 1 A 59 59 LEU CB C 89 42.596 42.580 0.016 1
1 790 . 25 1 1 A 59 59 LEU N N 89 124.395 124.153 0.242 1
1 791 . 25 1 1 A 60 60 LEU H H 90 7.777 9.306 -1.529 1
1 792 . 25 1 1 A 60 60 LEU HA H 90 4.135 4.276 -0.141 1
1 802 . 25 1 1 A 60 60 LEU C C 90 176.394 177.005 -0.611 1
1 803 . 25 1 1 A 60 60 LEU CA C 90 56.754 56.864 -0.110 1
1 804 . 25 1 1 A 60 60 LEU CB C 90 42.413 42.797 -0.384 1
1 808 . 25 1 1 A 60 60 LEU N N 90 119.734 123.992 -4.258 1
1 809 . 25 1 1 A 61 61 GLY H H 91 7.224 7.417 -0.193 1
1 810 . 25 1 1 A 61 61 GLY HA2 H 91 4.165 3.983 0.182 1
1 811 . 25 1 1 A 61 61 GLY HA3 H 91 3.899 3.992 -0.093 1
1 812 . 25 1 1 A 61 61 GLY C C 91 171.742 172.007 -0.265 1
1 813 . 25 1 1 A 61 61 GLY CA C 91 44.969 45.638 -0.669 1
1 814 . 25 1 1 A 61 61 GLY N N 91 103.707 104.108 -0.401 1
1 815 . 25 1 1 A 62 62 LYS H H 92 8.771 8.554 0.217 1
1 816 . 25 1 1 A 62 62 LYS HA H 92 4.150 4.209 -0.059 1
1 825 . 25 1 1 A 62 62 LYS C C 92 177.522 176.769 0.753 1
1 826 . 25 1 1 A 62 62 LYS CA C 92 56.750 56.458 0.292 1
1 827 . 25 1 1 A 62 62 LYS CB C 92 33.835 32.781 1.054 1
1 831 . 25 1 1 A 62 62 LYS N N 92 118.635 120.243 -1.608 1
1 832 . 25 1 1 A 63 63 MET H H 93 9.188 8.378 0.810 1
1 833 . 25 1 1 A 63 63 MET HA H 93 3.835 4.498 -0.663 1
1 841 . 25 1 1 A 63 63 MET C C 93 173.913 175.728 -1.815 1
1 842 . 25 1 1 A 63 63 MET CA C 93 59.275 53.921 5.354 1
1 843 . 25 1 1 A 63 63 MET CB C 93 31.483 31.130 0.353 1
1 846 . 25 1 1 A 63 63 MET N N 93 123.413 122.741 0.672 1
1 847 . 25 1 1 A 64 64 TYR H H 94 9.421 8.491 0.930 1
1 848 . 25 1 1 A 64 64 TYR HA H 94 4.767 4.167 0.600 1
1 855 . 25 1 1 A 64 64 TYR C C 94 173.918 174.947 -1.029 1
1 856 . 25 1 1 A 64 64 TYR CA C 94 56.933 61.383 -4.450 1
1 857 . 25 1 1 A 64 64 TYR CB C 94 40.020 38.980 1.040 1
1 860 . 25 1 1 A 64 64 TYR N N 94 129.403 126.016 3.387 1
1 861 . 25 1 1 A 65 65 LYS H H 95 7.289 7.533 -0.244 1
1 862 . 25 1 1 A 65 65 LYS HA H 95 4.688 4.587 0.101 1
1 871 . 25 1 1 A 65 65 LYS C C 95 175.000 173.825 1.175 1
1 872 . 25 1 1 A 65 65 LYS CA C 95 55.841 55.386 0.455 1
1 873 . 25 1 1 A 65 65 LYS CB C 95 40.404 35.658 4.746 1
1 877 . 25 1 1 A 65 65 LYS N N 95 118.804 118.082 0.722 1
1 878 . 25 1 1 A 66 66 THR H H 96 8.727 7.915 0.812 1
1 879 . 25 1 1 A 66 66 THR HA H 96 5.149 5.338 -0.189 1
1 885 . 25 1 1 A 66 66 THR C C 96 172.120 172.709 -0.589 1
1 886 . 25 1 1 A 66 66 THR CA C 96 62.226 60.582 1.644 1
1 887 . 25 1 1 A 66 66 THR CB C 96 71.787 71.943 -0.156 1
1 889 . 25 1 1 A 66 66 THR N N 96 116.235 117.539 -1.304 1
1 890 . 25 1 1 A 67 67 TYR H H 97 8.969 9.066 -0.097 1
1 891 . 25 1 1 A 67 67 TYR HA H 97 5.027 5.111 -0.084 1
1 898 . 25 1 1 A 67 67 TYR C C 97 175.077 174.533 0.544 1
1 899 . 25 1 1 A 67 67 TYR CA C 97 57.278 56.754 0.524 1
1 900 . 25 1 1 A 67 67 TYR CB C 97 42.054 42.746 -0.692 1
1 903 . 25 1 1 A 67 67 TYR N N 97 125.256 124.916 0.340 1
1 904 . 25 1 1 A 68 68 PHE H H 98 9.189 8.773 0.416 1
1 905 . 25 1 1 A 68 68 PHE HA H 98 5.177 5.198 -0.021 1
1 913 . 25 1 1 A 68 68 PHE C C 98 174.791 174.590 0.201 1
1 914 . 25 1 1 A 68 68 PHE CA C 98 57.825 56.590 1.235 1
1 915 . 25 1 1 A 68 68 PHE CB C 98 42.377 43.381 -1.004 1
1 919 . 25 1 1 A 68 68 PHE N N 98 118.574 119.829 -1.255 1
1 920 . 25 1 1 A 69 69 PHE H H 99 8.976 9.438 -0.462 1
1 921 . 25 1 1 A 69 69 PHE HA H 99 4.893 5.358 -0.465 1
1 929 . 25 1 1 A 69 69 PHE C C 99 176.386 175.543 0.843 1
1 930 . 25 1 1 A 69 69 PHE CA C 99 56.777 56.199 0.578 1
1 931 . 25 1 1 A 69 69 PHE CB C 99 41.371 42.395 -1.024 1
1 935 . 25 1 1 A 69 69 PHE N N 99 119.573 120.058 -0.485 1
1 936 . 25 1 1 A 70 70 LYS H H 100 9.479 9.124 0.355 1
1 937 . 25 1 1 A 70 70 LYS HA H 100 4.533 4.551 -0.018 1
1 946 . 25 1 1 A 70 70 LYS C C 100 176.156 176.789 -0.633 1
1 947 . 25 1 1 A 70 70 LYS CA C 100 56.706 55.894 0.812 1
1 948 . 25 1 1 A 70 70 LYS CB C 100 33.667 33.233 0.434 1
1 952 . 25 1 1 A 70 70 LYS N N 100 125.614 123.479 2.135 1
1 953 . 25 1 1 A 71 71 LYS H H 101 8.068 8.741 -0.673 1
1 954 . 25 1 1 A 71 71 LYS HA H 101 4.188 4.369 -0.181 1
1 963 . 25 1 1 A 71 71 LYS C C 101 177.655 176.868 0.787 1
1 964 . 25 1 1 A 71 71 LYS CA C 101 58.238 56.222 2.016 1
1 965 . 25 1 1 A 71 71 LYS CB C 101 32.342 31.441 0.901 1
1 969 . 25 1 1 A 71 71 LYS N N 101 121.057 120.332 0.725 1
1 970 . 25 1 1 A 72 72 GLY H H 102 8.899 8.159 0.740 1
1 971 . 25 1 1 A 72 72 GLY HA2 H 102 4.196 4.078 0.118 1
1 972 . 25 1 1 A 72 72 GLY HA3 H 102 3.815 4.091 -0.276 1
1 973 . 25 1 1 A 72 72 GLY C C 102 173.997 173.886 0.111 1
1 974 . 25 1 1 A 72 72 GLY CA C 102 45.802 45.080 0.722 1
1 975 . 25 1 1 A 72 72 GLY N N 102 114.112 108.258 5.854 1
1 976 . 25 1 1 A 73 73 GLU H H 103 8.047 7.350 0.697 1
1 977 . 25 1 1 A 73 73 GLU HA H 103 4.764 5.028 -0.264 1
1 982 . 25 1 1 A 73 73 GLU C C 103 175.975 174.619 1.356 1
1 983 . 25 1 1 A 73 73 GLU CA C 103 56.295 54.940 1.355 1
1 984 . 25 1 1 A 73 73 GLU CB C 103 31.153 33.747 -2.594 1
1 986 . 25 1 1 A 73 73 GLU N N 103 119.538 120.254 -0.716 1
1 987 . 25 1 1 A 74 74 SER H H 104 8.742 8.754 -0.012 1
1 988 . 25 1 1 A 74 74 SER HA H 104 4.598 4.914 -0.316 1
1 991 . 25 1 1 A 74 74 SER C C 104 171.916 174.036 -2.120 1
1 992 . 25 1 1 A 74 74 SER CA C 104 58.363 57.350 1.013 1
1 993 . 25 1 1 A 74 74 SER CB C 104 64.025 64.815 -0.790 1
1 994 . 25 1 1 A 74 74 SER N N 104 115.383 117.660 -2.277 1
1 995 . 25 1 1 A 75 75 LYS H H 105 7.608 7.596 0.012 1
1 996 . 25 1 1 A 75 75 LYS HA H 105 5.588 5.128 0.460 1
1 1005 . 25 1 1 A 75 75 LYS C C 105 176.017 174.539 1.478 1
1 1006 . 25 1 1 A 75 75 LYS CA C 105 54.548 55.538 -0.990 1
1 1007 . 25 1 1 A 75 75 LYS CB C 105 35.211 36.184 -0.973 1
1 1011 . 25 1 1 A 75 75 LYS N N 105 121.040 123.372 -2.332 1
1 1012 . 25 1 1 A 76 76 SER H H 106 8.231 8.909 -0.678 1
1 1013 . 25 1 1 A 76 76 SER HA H 106 3.377 4.318 -0.941 1
1 1016 . 25 1 1 A 76 76 SER C C 106 172.571 174.677 -2.106 1
1 1017 . 25 1 1 A 76 76 SER CA C 106 59.650 58.522 1.128 1
1 1018 . 25 1 1 A 76 76 SER CB C 106 64.857 63.291 1.566 1
1 1019 . 25 1 1 A 76 76 SER N N 106 121.783 121.552 0.231 1
1 1020 . 25 1 1 A 77 77 SER H H 107 8.333 8.901 -0.568 1
1 1021 . 25 1 1 A 77 77 SER HA H 107 5.025 4.840 0.185 1
1 1024 . 25 1 1 A 77 77 SER C C 107 174.507 173.470 1.037 1
1 1025 . 25 1 1 A 77 77 SER CA C 107 57.561 58.219 -0.658 1
1 1026 . 25 1 1 A 77 77 SER CB C 107 65.330 64.954 0.376 1
1 1027 . 25 1 1 A 77 77 SER N N 107 106.276 119.644 -13.368 1
1 1028 . 25 1 1 A 78 78 TYR H H 108 7.825 7.285 0.540 1
1 1029 . 25 1 1 A 78 78 TYR HA H 108 4.754 4.786 -0.032 1
1 1036 . 25 1 1 A 78 78 TYR C C 108 171.725 173.687 -1.962 1
1 1037 . 25 1 1 A 78 78 TYR CA C 108 57.778 56.953 0.825 1
1 1038 . 25 1 1 A 78 78 TYR CB C 108 43.223 41.800 1.423 1
1 1041 . 25 1 1 A 78 78 TYR N N 108 126.289 121.764 4.525 1
1 1042 . 25 1 1 A 79 79 VAL H H 109 7.760 8.186 -0.426 1
1 1043 . 25 1 1 A 79 79 VAL HA H 109 5.215 4.953 0.262 1
1 1051 . 25 1 1 A 79 79 VAL C C 109 172.526 174.199 -1.673 1
1 1052 . 25 1 1 A 79 79 VAL CA C 109 59.193 59.409 -0.216 1
1 1053 . 25 1 1 A 79 79 VAL CB C 109 36.173 36.097 0.076 1
1 1056 . 25 1 1 A 79 79 VAL N N 109 127.825 121.248 6.577 1
1 1057 . 25 1 1 A 80 80 ILE H H 110 8.616 8.269 0.347 1
1 1058 . 25 1 1 A 80 80 ILE HA H 110 4.011 4.595 -0.584 1
1 1068 . 25 1 1 A 80 80 ILE C C 110 174.690 174.369 0.321 1
1 1069 . 25 1 1 A 80 80 ILE CA C 110 60.922 60.066 0.856 1
1 1070 . 25 1 1 A 80 80 ILE CB C 110 42.047 41.201 0.846 1
1 1074 . 25 1 1 A 80 80 ILE N N 110 124.001 121.632 2.369 1
1 1075 . 25 1 1 A 81 81 ASN H H 111 8.937 8.394 0.543 1
1 1076 . 25 1 1 A 81 81 ASN HA H 111 4.760 5.318 -0.558 1
1 1081 . 25 1 1 A 81 81 ASN C C 111 175.326 175.408 -0.082 1
1 1082 . 25 1 1 A 81 81 ASN CA C 111 53.600 51.749 1.851 1
1 1083 . 25 1 1 A 81 81 ASN CB C 111 40.412 40.730 -0.318 1
1 1085 . 25 1 1 A 81 81 ASN N N 111 126.229 125.596 0.633 1
1 1087 . 25 1 1 A 82 82 GLY H H 112 7.984 8.108 -0.124 1
1 1088 . 25 1 1 A 82 82 GLY HA2 H 112 4.457 4.173 0.284 1
1 1089 . 25 1 1 A 82 82 GLY HA3 H 112 3.847 4.184 -0.337 1
1 1090 . 25 1 1 A 82 82 GLY C C 112 171.875 170.915 0.960 1
1 1091 . 25 1 1 A 82 82 GLY CA C 112 43.303 45.272 -1.969 1
1 1092 . 25 1 1 A 82 82 GLY N N 112 110.894 109.153 1.741 1
1 1093 . 25 1 1 A 83 83 PRO HA H 113 4.609 4.414 0.195 1
1 1100 . 25 1 1 A 83 83 PRO C C 113 178.327 176.197 2.130 1
1 1101 . 25 1 1 A 83 83 PRO CA C 113 63.342 63.342 0.000 1
1 1102 . 25 1 1 A 83 83 PRO CB C 113 32.232 32.021 0.211 1
1 1105 . 25 1 1 A 84 84 GLY H H 114 8.939 8.166 0.773 1
1 1106 . 25 1 1 A 84 84 GLY HA2 H 114 4.055 4.242 -0.187 1
1 1107 . 25 1 1 A 84 84 GLY HA3 H 114 3.192 4.330 -1.138 1
1 1108 . 25 1 1 A 84 84 GLY C C 114 172.587 173.632 -1.045 1
1 1109 . 25 1 1 A 84 84 GLY CA C 114 44.667 45.459 -0.792 1
1 1110 . 25 1 1 A 84 84 GLY N N 114 109.324 108.432 0.892 1
1 1111 . 25 1 1 A 85 85 LYS H H 115 9.550 9.178 0.372 1
1 1112 . 25 1 1 A 85 85 LYS HA H 115 4.527 4.617 -0.090 1
1 1121 . 25 1 1 A 85 85 LYS C C 115 175.690 175.682 0.008 1
1 1122 . 25 1 1 A 85 85 LYS CA C 115 56.251 56.572 -0.321 1
1 1123 . 25 1 1 A 85 85 LYS CB C 115 34.217 35.343 -1.126 1
1 1127 . 25 1 1 A 85 85 LYS N N 115 119.240 121.447 -2.207 1
1 1128 . 25 1 1 A 86 86 THR H H 116 7.327 7.228 0.099 1
1 1129 . 25 1 1 A 86 86 THR HA H 116 3.572 4.514 -0.942 1
1 1134 . 25 1 1 A 86 86 THR C C 116 170.519 173.875 -3.356 1
1 1135 . 25 1 1 A 86 86 THR CA C 116 59.094 61.357 -2.263 1
1 1136 . 25 1 1 A 86 86 THR CB C 116 68.191 71.211 -3.020 1
1 1138 . 25 1 1 A 86 86 THR N N 116 113.403 112.241 1.162 1
1 1139 . 25 1 1 A 87 87 ASN H H 117 8.035 8.692 -0.657 1
1 1140 . 25 1 1 A 87 87 ASN HA H 117 4.914 4.619 0.295 1
1 1145 . 25 1 1 A 87 87 ASN C C 117 175.798 175.787 0.011 1
1 1146 . 25 1 1 A 87 87 ASN CA C 117 52.062 54.507 -2.445 1
1 1147 . 25 1 1 A 87 87 ASN CB C 117 40.563 37.982 2.581 1
1 1149 . 25 1 1 A 87 87 ASN N N 117 118.907 126.045 -7.138 1
1 1151 . 25 1 1 A 88 88 GLU H H 118 8.362 7.707 0.655 1
1 1152 . 25 1 1 A 88 88 GLU HA H 118 4.116 4.589 -0.473 1
1 1157 . 25 1 1 A 88 88 GLU C C 118 175.935 175.420 0.515 1
1 1158 . 25 1 1 A 88 88 GLU CA C 118 55.589 55.539 0.050 1
1 1159 . 25 1 1 A 88 88 GLU CB C 118 29.435 30.491 -1.056 1
1 1161 . 25 1 1 A 88 88 GLU N N 118 119.547 116.587 2.960 1
1 1162 . 25 1 1 A 89 89 TYR H H 119 7.918 8.122 -0.204 1
1 1163 . 25 1 1 A 89 89 TYR HA H 119 4.639 4.793 -0.154 1
1 1170 . 25 1 1 A 89 89 TYR C C 119 175.750 175.243 0.507 1
1 1171 . 25 1 1 A 89 89 TYR CA C 119 59.270 59.397 -0.127 1
1 1172 . 25 1 1 A 89 89 TYR CB C 119 38.274 37.701 0.573 1
1 1175 . 25 1 1 A 89 89 TYR N N 119 118.293 117.611 0.682 1
1 1176 . 25 1 1 A 90 90 ALA H H 120 8.285 8.613 -0.328 1
1 1177 . 25 1 1 A 90 90 ALA HA H 120 4.273 4.484 -0.211 1
1 1181 . 25 1 1 A 90 90 ALA C C 120 175.773 176.717 -0.944 1
1 1182 . 25 1 1 A 90 90 ALA CA C 120 52.014 53.066 -1.052 1
1 1183 . 25 1 1 A 90 90 ALA CB C 120 19.920 18.239 1.681 1
1 1184 . 25 1 1 A 90 90 ALA N N 120 126.212 128.799 -2.587 1
stop_
loop_
_SPARTA_output.Data_ID
_SPARTA_output.Assigned_chem_shift_list_ID
_SPARTA_output.Conformer_ID
_SPARTA_output.Entity_ID
_SPARTA_output.Data_type
_SPARTA_output.Data_atom
_SPARTA_output.Data_num_shifts
_SPARTA_output.Data_value
_SPARTA_output.Entity_delta_chem_shifts_ID
1 1 1 1 "RMS(OBS, PRED)" C 89 1.122 1
2 1 1 1 "RMS(OBS, PRED)" CA 89 1.334 1
3 1 1 1 "RMS(OBS, PRED)" CB 81 1.134 1
4 1 1 1 "RMS(OBS, PRED)" H 85 0.556 1
5 1 1 1 "RMS(OBS, PRED)" HA 97 0.297 1
6 1 1 1 "RMS(OBS, PRED)" N 85 3.228 1
7 1 2 1 "RMS(OBS, PRED)" C 89 1.163 1
8 1 2 1 "RMS(OBS, PRED)" CA 89 1.271 1
9 1 2 1 "RMS(OBS, PRED)" CB 81 1.103 1
10 1 2 1 "RMS(OBS, PRED)" H 85 0.520 1
11 1 2 1 "RMS(OBS, PRED)" HA 97 0.308 1
12 1 2 1 "RMS(OBS, PRED)" N 85 3.029 1
13 1 3 1 "RMS(OBS, PRED)" C 89 1.175 1
14 1 3 1 "RMS(OBS, PRED)" CA 89 1.346 1
15 1 3 1 "RMS(OBS, PRED)" CB 81 1.289 1
16 1 3 1 "RMS(OBS, PRED)" H 85 0.560 1
17 1 3 1 "RMS(OBS, PRED)" HA 97 0.295 1
18 1 3 1 "RMS(OBS, PRED)" N 85 3.381 1
19 1 4 1 "RMS(OBS, PRED)" C 89 1.093 1
20 1 4 1 "RMS(OBS, PRED)" CA 89 1.314 1
21 1 4 1 "RMS(OBS, PRED)" CB 81 1.242 1
22 1 4 1 "RMS(OBS, PRED)" H 85 0.512 1
23 1 4 1 "RMS(OBS, PRED)" HA 97 0.296 1
24 1 4 1 "RMS(OBS, PRED)" N 85 3.088 1
25 1 5 1 "RMS(OBS, PRED)" C 89 1.134 1
26 1 5 1 "RMS(OBS, PRED)" CA 89 1.360 1
27 1 5 1 "RMS(OBS, PRED)" CB 81 1.133 1
28 1 5 1 "RMS(OBS, PRED)" H 85 0.569 1
29 1 5 1 "RMS(OBS, PRED)" HA 97 0.293 1
30 1 5 1 "RMS(OBS, PRED)" N 85 3.037 1
31 1 6 1 "RMS(OBS, PRED)" C 89 1.158 1
32 1 6 1 "RMS(OBS, PRED)" CA 89 1.309 1
33 1 6 1 "RMS(OBS, PRED)" CB 81 1.198 1
34 1 6 1 "RMS(OBS, PRED)" H 85 0.532 1
35 1 6 1 "RMS(OBS, PRED)" HA 97 0.305 1
36 1 6 1 "RMS(OBS, PRED)" N 85 3.263 1
37 1 7 1 "RMS(OBS, PRED)" C 89 1.160 1
38 1 7 1 "RMS(OBS, PRED)" CA 89 1.444 1
39 1 7 1 "RMS(OBS, PRED)" CB 81 1.274 1
40 1 7 1 "RMS(OBS, PRED)" H 85 0.512 1
41 1 7 1 "RMS(OBS, PRED)" HA 97 0.326 1
42 1 7 1 "RMS(OBS, PRED)" N 85 3.400 1
43 1 8 1 "RMS(OBS, PRED)" C 89 1.095 1
44 1 8 1 "RMS(OBS, PRED)" CA 89 1.043 1
45 1 8 1 "RMS(OBS, PRED)" CB 81 1.306 1
46 1 8 1 "RMS(OBS, PRED)" H 85 0.547 1
47 1 8 1 "RMS(OBS, PRED)" HA 97 0.268 1
48 1 8 1 "RMS(OBS, PRED)" N 85 3.204 1
49 1 9 1 "RMS(OBS, PRED)" C 89 1.204 1
50 1 9 1 "RMS(OBS, PRED)" CA 89 1.353 1
51 1 9 1 "RMS(OBS, PRED)" CB 81 1.229 1
52 1 9 1 "RMS(OBS, PRED)" H 85 0.517 1
53 1 9 1 "RMS(OBS, PRED)" HA 97 0.315 1
54 1 9 1 "RMS(OBS, PRED)" N 85 3.217 1
55 1 10 1 "RMS(OBS, PRED)" C 89 1.137 1
56 1 10 1 "RMS(OBS, PRED)" CA 89 1.352 1
57 1 10 1 "RMS(OBS, PRED)" CB 81 1.250 1
58 1 10 1 "RMS(OBS, PRED)" H 85 0.529 1
59 1 10 1 "RMS(OBS, PRED)" HA 97 0.311 1
60 1 10 1 "RMS(OBS, PRED)" N 85 3.026 1
61 1 11 1 "RMS(OBS, PRED)" C 89 1.262 1
62 1 11 1 "RMS(OBS, PRED)" CA 89 1.462 1
63 1 11 1 "RMS(OBS, PRED)" CB 81 1.318 1
64 1 11 1 "RMS(OBS, PRED)" H 85 0.529 1
65 1 11 1 "RMS(OBS, PRED)" HA 97 0.317 1
66 1 11 1 "RMS(OBS, PRED)" N 85 3.253 1
67 1 12 1 "RMS(OBS, PRED)" C 89 1.181 1
68 1 12 1 "RMS(OBS, PRED)" CA 89 1.336 1
69 1 12 1 "RMS(OBS, PRED)" CB 81 1.266 1
70 1 12 1 "RMS(OBS, PRED)" H 85 0.556 1
71 1 12 1 "RMS(OBS, PRED)" HA 97 0.308 1
72 1 12 1 "RMS(OBS, PRED)" N 85 3.346 1
73 1 13 1 "RMS(OBS, PRED)" C 89 1.173 1
74 1 13 1 "RMS(OBS, PRED)" CA 89 1.138 1
75 1 13 1 "RMS(OBS, PRED)" CB 81 1.140 1
76 1 13 1 "RMS(OBS, PRED)" H 85 0.510 1
77 1 13 1 "RMS(OBS, PRED)" HA 97 0.298 1
78 1 13 1 "RMS(OBS, PRED)" N 85 3.122 1
79 1 14 1 "RMS(OBS, PRED)" C 89 1.170 1
80 1 14 1 "RMS(OBS, PRED)" CA 89 1.295 1
81 1 14 1 "RMS(OBS, PRED)" CB 81 1.262 1
82 1 14 1 "RMS(OBS, PRED)" H 85 0.571 1
83 1 14 1 "RMS(OBS, PRED)" HA 97 0.291 1
84 1 14 1 "RMS(OBS, PRED)" N 85 3.102 1
85 1 15 1 "RMS(OBS, PRED)" C 89 1.120 1
86 1 15 1 "RMS(OBS, PRED)" CA 89 1.337 1
87 1 15 1 "RMS(OBS, PRED)" CB 81 1.201 1
88 1 15 1 "RMS(OBS, PRED)" H 85 0.486 1
89 1 15 1 "RMS(OBS, PRED)" HA 97 0.325 1
90 1 15 1 "RMS(OBS, PRED)" N 85 3.022 1
91 1 16 1 "RMS(OBS, PRED)" C 89 1.210 1
92 1 16 1 "RMS(OBS, PRED)" CA 89 1.284 1
93 1 16 1 "RMS(OBS, PRED)" CB 81 1.233 1
94 1 16 1 "RMS(OBS, PRED)" H 85 0.553 1
95 1 16 1 "RMS(OBS, PRED)" HA 97 0.269 1
96 1 16 1 "RMS(OBS, PRED)" N 85 2.722 1
97 1 17 1 "RMS(OBS, PRED)" C 89 1.267 1
98 1 17 1 "RMS(OBS, PRED)" CA 89 1.363 1
99 1 17 1 "RMS(OBS, PRED)" CB 81 1.311 1
100 1 17 1 "RMS(OBS, PRED)" H 85 0.554 1
101 1 17 1 "RMS(OBS, PRED)" HA 97 0.324 1
102 1 17 1 "RMS(OBS, PRED)" N 85 3.301 1
103 1 18 1 "RMS(OBS, PRED)" C 89 1.150 1
104 1 18 1 "RMS(OBS, PRED)" CA 89 1.399 1
105 1 18 1 "RMS(OBS, PRED)" CB 81 1.252 1
106 1 18 1 "RMS(OBS, PRED)" H 85 0.494 1
107 1 18 1 "RMS(OBS, PRED)" HA 97 0.322 1
108 1 18 1 "RMS(OBS, PRED)" N 85 3.062 1
109 1 19 1 "RMS(OBS, PRED)" C 89 1.276 1
110 1 19 1 "RMS(OBS, PRED)" CA 89 1.200 1
111 1 19 1 "RMS(OBS, PRED)" CB 81 1.284 1
112 1 19 1 "RMS(OBS, PRED)" H 85 0.525 1
113 1 19 1 "RMS(OBS, PRED)" HA 97 0.300 1
114 1 19 1 "RMS(OBS, PRED)" N 85 3.407 1
115 1 20 1 "RMS(OBS, PRED)" C 89 1.122 1
116 1 20 1 "RMS(OBS, PRED)" CA 89 1.082 1
117 1 20 1 "RMS(OBS, PRED)" CB 81 1.088 1
118 1 20 1 "RMS(OBS, PRED)" H 85 0.523 1
119 1 20 1 "RMS(OBS, PRED)" HA 97 0.299 1
120 1 20 1 "RMS(OBS, PRED)" N 85 3.140 1
121 1 21 1 "RMS(OBS, PRED)" C 89 1.204 1
122 1 21 1 "RMS(OBS, PRED)" CA 89 1.365 1
123 1 21 1 "RMS(OBS, PRED)" CB 81 1.385 1
124 1 21 1 "RMS(OBS, PRED)" H 85 0.532 1
125 1 21 1 "RMS(OBS, PRED)" HA 97 0.306 1
126 1 21 1 "RMS(OBS, PRED)" N 85 3.448 1
127 1 22 1 "RMS(OBS, PRED)" C 89 1.111 1
128 1 22 1 "RMS(OBS, PRED)" CA 89 1.293 1
129 1 22 1 "RMS(OBS, PRED)" CB 81 1.244 1
130 1 22 1 "RMS(OBS, PRED)" H 85 0.524 1
131 1 22 1 "RMS(OBS, PRED)" HA 97 0.290 1
132 1 22 1 "RMS(OBS, PRED)" N 85 2.905 1
133 1 23 1 "RMS(OBS, PRED)" C 89 1.177 1
134 1 23 1 "RMS(OBS, PRED)" CA 89 1.298 1
135 1 23 1 "RMS(OBS, PRED)" CB 81 1.168 1
136 1 23 1 "RMS(OBS, PRED)" H 85 0.529 1
137 1 23 1 "RMS(OBS, PRED)" HA 97 0.298 1
138 1 23 1 "RMS(OBS, PRED)" N 85 3.272 1
139 1 24 1 "RMS(OBS, PRED)" C 89 1.169 1
140 1 24 1 "RMS(OBS, PRED)" CA 89 1.362 1
141 1 24 1 "RMS(OBS, PRED)" CB 81 1.225 1
142 1 24 1 "RMS(OBS, PRED)" H 85 0.536 1
143 1 24 1 "RMS(OBS, PRED)" HA 97 0.273 1
144 1 24 1 "RMS(OBS, PRED)" N 85 2.860 1
145 1 25 1 "RMS(OBS, PRED)" C 89 1.189 1
146 1 25 1 "RMS(OBS, PRED)" CA 89 1.307 1
147 1 25 1 "RMS(OBS, PRED)" CB 81 1.290 1
148 1 25 1 "RMS(OBS, PRED)" H 85 0.484 1
149 1 25 1 "RMS(OBS, PRED)" HA 97 0.308 1
150 1 25 1 "RMS(OBS, PRED)" N 85 3.006 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 11 . 1 1 A 2 2 SER HA H 32 4.469 4.629 -0.160 2
1 14 . 1 1 A 2 2 SER C C 32 174.865 174.239 0.626 2
1 15 . 1 1 A 2 2 SER CA C 32 58.680 58.508 0.172 2
1 16 . 1 1 A 2 2 SER CB C 32 63.805 64.882 -1.077 2
1 17 . 1 1 A 3 3 GLY H H 33 8.513 7.905 0.608 2
1 18 . 1 1 A 3 3 GLY HA2 H 33 3.972 4.057 -0.085 2
1 19 . 1 1 A 3 3 GLY HA3 H 33 3.972 4.059 -0.087 2
1 20 . 1 1 A 3 3 GLY C C 33 173.735 172.898 0.837 2
1 21 . 1 1 A 3 3 GLY CA C 33 45.132 45.421 -0.289 2
1 22 . 1 1 A 3 3 GLY N N 33 110.526 108.550 1.976 2
1 23 . 1 1 A 4 4 LEU H H 34 8.145 8.193 -0.048 2
1 24 . 1 1 A 4 4 LEU HA H 34 4.599 4.767 -0.168 2
1 34 . 1 1 A 4 4 LEU C C 34 175.201 174.875 0.326 2
1 35 . 1 1 A 4 4 LEU CA C 34 53.002 52.019 0.983 2
1 36 . 1 1 A 4 4 LEU CB C 34 41.772 44.184 -2.412 2
1 40 . 1 1 A 4 4 LEU N N 34 122.423 121.472 0.951 2
1 41 . 1 1 A 5 5 PRO HA H 35 4.551 4.687 -0.136 2
1 48 . 1 1 A 5 5 PRO C C 35 176.487 176.451 0.036 2
1 49 . 1 1 A 5 5 PRO CA C 35 62.771 62.921 -0.150 2
1 50 . 1 1 A 5 5 PRO CB C 35 32.488 32.713 -0.225 2
1 53 . 1 1 A 6 6 THR H H 36 8.447 8.454 -0.007 2
1 54 . 1 1 A 6 6 THR HA H 36 4.445 4.449 -0.004 2
1 59 . 1 1 A 6 6 THR C C 36 174.231 173.489 0.742 2
1 60 . 1 1 A 6 6 THR CA C 36 61.727 61.690 0.037 2
1 61 . 1 1 A 6 6 THR CB C 36 69.213 70.216 -1.003 2
1 63 . 1 1 A 6 6 THR N N 36 111.916 115.572 -3.656 2
1 64 . 1 1 A 7 7 THR H H 37 7.303 7.498 -0.195 2
1 65 . 1 1 A 7 7 THR HA H 37 5.232 4.926 0.306 2
1 70 . 1 1 A 7 7 THR C C 37 175.848 174.796 1.052 2
1 71 . 1 1 A 7 7 THR CA C 37 58.599 59.517 -0.918 2
1 72 . 1 1 A 7 7 THR CB C 37 71.971 71.955 0.016 2
1 74 . 1 1 A 7 7 THR N N 37 110.288 112.227 -1.939 2
1 75 . 1 1 A 8 8 LEU H H 38 9.065 8.659 0.406 2
1 76 . 1 1 A 8 8 LEU HA H 38 3.829 3.895 -0.066 2
1 86 . 1 1 A 8 8 LEU C C 38 177.964 179.061 -1.097 2
1 87 . 1 1 A 8 8 LEU CA C 38 57.613 57.934 -0.321 2
1 88 . 1 1 A 8 8 LEU CB C 38 41.058 41.318 -0.260 2
1 92 . 1 1 A 8 8 LEU N N 38 122.441 123.824 -1.383 2
1 93 . 1 1 A 9 9 GLY H H 39 8.753 8.200 0.553 2
1 94 . 1 1 A 9 9 GLY HA2 H 39 3.969 3.797 0.172 2
1 95 . 1 1 A 9 9 GLY HA3 H 39 3.769 3.799 -0.030 2
1 96 . 1 1 A 9 9 GLY C C 39 176.615 176.050 0.565 2
1 97 . 1 1 A 9 9 GLY CA C 39 47.314 47.055 0.259 2
1 98 . 1 1 A 9 9 GLY N N 39 104.356 106.781 -2.425 2
1 99 . 1 1 A 10 10 LYS H H 40 7.341 7.702 -0.361 2
1 100 . 1 1 A 10 10 LYS HA H 40 4.241 4.073 0.168 2
1 109 . 1 1 A 10 10 LYS C C 40 179.292 179.260 0.032 2
1 110 . 1 1 A 10 10 LYS CA C 40 58.108 59.151 -1.043 2
1 111 . 1 1 A 10 10 LYS CB C 40 32.346 32.371 -0.025 2
1 115 . 1 1 A 10 10 LYS N N 40 120.741 122.282 -1.541 2
1 116 . 1 1 A 11 11 LEU H H 41 8.033 7.799 0.234 2
1 117 . 1 1 A 11 11 LEU HA H 41 4.059 4.055 0.004 2
1 127 . 1 1 A 11 11 LEU C C 41 177.253 177.963 -0.710 2
1 128 . 1 1 A 11 11 LEU CA C 41 57.978 57.712 0.266 2
1 129 . 1 1 A 11 11 LEU CB C 41 41.760 41.635 0.125 2
1 133 . 1 1 A 11 11 LEU N N 41 121.501 121.617 -0.116 2
1 134 . 1 1 A 12 12 ASP H H 42 9.025 8.498 0.527 2
1 135 . 1 1 A 12 12 ASP HA H 42 4.045 4.283 -0.238 2
1 138 . 1 1 A 12 12 ASP C C 42 176.536 178.602 -2.066 2
1 139 . 1 1 A 12 12 ASP CA C 42 58.740 57.966 0.774 2
1 140 . 1 1 A 12 12 ASP CB C 42 44.783 42.078 2.705 2
1 141 . 1 1 A 12 12 ASP N N 42 119.776 119.163 0.613 2
1 142 . 1 1 A 13 13 GLU H H 43 7.253 8.183 -0.930 2
1 143 . 1 1 A 13 13 GLU HA H 43 3.869 4.070 -0.201 2
1 148 . 1 1 A 13 13 GLU C C 43 178.916 178.768 0.148 2
1 149 . 1 1 A 13 13 GLU CA C 43 59.511 59.297 0.214 2
1 150 . 1 1 A 13 13 GLU CB C 43 30.131 29.220 0.911 2
1 152 . 1 1 A 13 13 GLU N N 43 116.304 119.003 -2.699 2
1 153 . 1 1 A 14 14 ARG H H 44 7.234 7.651 -0.417 2
1 154 . 1 1 A 14 14 ARG HA H 44 3.920 4.159 -0.239 2
1 163 . 1 1 A 14 14 ARG C C 44 177.609 178.975 -1.366 2
1 164 . 1 1 A 14 14 ARG CA C 44 58.607 58.889 -0.282 2
1 165 . 1 1 A 14 14 ARG CB C 44 30.304 30.034 0.270 2
1 168 . 1 1 A 14 14 ARG N N 44 118.267 120.201 -1.934 2
1 171 . 1 1 A 15 15 LEU H H 45 8.734 8.685 0.049 2
1 172 . 1 1 A 15 15 LEU HA H 45 3.809 4.180 -0.371 2
1 182 . 1 1 A 15 15 LEU C C 45 179.204 179.486 -0.282 2
1 183 . 1 1 A 15 15 LEU CA C 45 58.248 58.059 0.189 2
1 184 . 1 1 A 15 15 LEU CB C 45 42.076 41.455 0.621 2
1 188 . 1 1 A 15 15 LEU N N 45 117.856 119.801 -1.945 2
1 189 . 1 1 A 16 16 ARG H H 46 8.280 8.502 -0.222 2
1 190 . 1 1 A 16 16 ARG HA H 46 3.863 4.145 -0.282 2
1 200 . 1 1 A 16 16 ARG C C 46 179.432 178.952 0.480 2
1 201 . 1 1 A 16 16 ARG CA C 46 60.779 59.276 1.503 2
1 202 . 1 1 A 16 16 ARG CB C 46 29.824 29.769 0.055 2
1 205 . 1 1 A 16 16 ARG N N 46 115.954 119.506 -3.552 2
1 209 . 1 1 A 17 17 ASN H H 47 7.433 7.915 -0.482 2
1 210 . 1 1 A 17 17 ASN HA H 47 4.458 4.496 -0.038 2
1 215 . 1 1 A 17 17 ASN C C 47 177.657 177.981 -0.324 2
1 216 . 1 1 A 17 17 ASN CA C 47 56.297 56.266 0.031 2
1 217 . 1 1 A 17 17 ASN CB C 47 38.540 38.435 0.105 2
1 219 . 1 1 A 17 17 ASN N N 47 118.514 117.829 0.685 2
1 221 . 1 1 A 18 18 TYR H H 48 8.945 8.467 0.478 2
1 222 . 1 1 A 18 18 TYR HA H 48 4.184 4.321 -0.137 2
1 229 . 1 1 A 18 18 TYR C C 48 177.806 178.324 -0.518 2
1 230 . 1 1 A 18 18 TYR CA C 48 58.651 60.950 -2.299 2
1 231 . 1 1 A 18 18 TYR CB C 48 36.527 37.834 -1.307 2
1 234 . 1 1 A 18 18 TYR N N 48 121.714 119.353 2.361 2
1 235 . 1 1 A 19 19 LEU H H 49 8.293 8.143 0.150 2
1 236 . 1 1 A 19 19 LEU HA H 49 3.410 3.587 -0.177 2
1 246 . 1 1 A 19 19 LEU C C 49 179.153 179.057 0.096 2
1 247 . 1 1 A 19 19 LEU CA C 49 57.822 57.914 -0.092 2
1 248 . 1 1 A 19 19 LEU CB C 49 41.929 41.301 0.628 2
1 252 . 1 1 A 19 19 LEU N N 49 119.284 120.513 -1.229 2
1 253 . 1 1 A 20 20 LYS H H 50 7.322 7.787 -0.465 2
1 254 . 1 1 A 20 20 LYS HA H 50 3.893 3.900 -0.007 2
1 263 . 1 1 A 20 20 LYS C C 50 177.980 179.523 -1.543 2
1 264 . 1 1 A 20 20 LYS CA C 50 59.104 60.064 -0.960 2
1 265 . 1 1 A 20 20 LYS CB C 50 32.348 32.074 0.274 2
1 269 . 1 1 A 20 20 LYS N N 50 117.005 117.485 -0.480 2
1 270 . 1 1 A 21 21 LYS H H 51 7.435 8.115 -0.680 2
1 271 . 1 1 A 21 21 LYS HA H 51 4.080 4.033 0.047 2
1 280 . 1 1 A 21 21 LYS C C 51 178.971 178.164 0.807 2
1 281 . 1 1 A 21 21 LYS CA C 51 57.418 58.842 -1.424 2
1 282 . 1 1 A 21 21 LYS CB C 51 32.675 32.331 0.344 2
1 286 . 1 1 A 21 21 LYS N N 51 115.946 119.059 -3.113 2
1 287 . 1 1 A 22 22 GLY H H 52 8.290 7.798 0.492 2
1 288 . 1 1 A 22 22 GLY HA2 H 52 3.897 4.039 -0.142 2
1 289 . 1 1 A 22 22 GLY HA3 H 52 4.181 4.098 0.083 2
1 290 . 1 1 A 22 22 GLY C C 52 173.610 173.902 -0.292 2
1 291 . 1 1 A 22 22 GLY CA C 52 45.088 45.462 -0.374 2
1 292 . 1 1 A 22 22 GLY N N 52 105.432 107.578 -2.146 2
1 293 . 1 1 A 23 23 THR H H 53 7.148 7.589 -0.441 2
1 294 . 1 1 A 23 23 THR HA H 53 4.838 4.511 0.327 2
1 300 . 1 1 A 23 23 THR C C 53 174.444 174.858 -0.414 2
1 301 . 1 1 A 23 23 THR CA C 53 59.766 59.935 -0.169 2
1 302 . 1 1 A 23 23 THR CB C 53 72.471 71.598 0.873 2
1 304 . 1 1 A 23 23 THR N N 53 107.608 111.865 -4.257 2
1 305 . 1 1 A 24 24 LYS H H 54 8.414 8.581 -0.167 2
1 306 . 1 1 A 24 24 LYS HA H 54 4.355 4.140 0.215 2
1 315 . 1 1 A 24 24 LYS C C 54 177.632 176.804 0.828 2
1 316 . 1 1 A 24 24 LYS CA C 54 57.393 58.152 -0.759 2
1 317 . 1 1 A 24 24 LYS CB C 54 32.806 32.848 -0.042 2
1 321 . 1 1 A 24 24 LYS N N 54 118.924 120.218 -1.294 2
1 322 . 1 1 A 25 25 ASN H H 55 7.823 7.833 -0.010 2
1 323 . 1 1 A 25 25 ASN HA H 55 4.992 4.932 0.060 2
1 328 . 1 1 A 25 25 ASN C C 55 174.882 175.157 -0.275 2
1 329 . 1 1 A 25 25 ASN CA C 55 51.540 52.715 -1.175 2
1 330 . 1 1 A 25 25 ASN CB C 55 38.209 40.195 -1.986 2
1 332 . 1 1 A 25 25 ASN N N 55 116.576 115.608 0.968 2
1 334 . 1 1 A 26 26 SER H H 56 8.557 8.894 -0.337 2
1 335 . 1 1 A 26 26 SER HA H 56 4.145 4.399 -0.254 2
1 338 . 1 1 A 26 26 SER C C 56 176.886 175.991 0.895 2
1 339 . 1 1 A 26 26 SER CA C 56 61.051 60.841 0.210 2
1 340 . 1 1 A 26 26 SER CB C 56 62.398 63.031 -0.633 2
1 341 . 1 1 A 26 26 SER N N 56 118.968 119.967 -0.999 2
1 342 . 1 1 A 27 27 ALA H H 57 8.133 8.013 0.120 2
1 343 . 1 1 A 27 27 ALA HA H 57 4.277 4.219 0.058 2
1 347 . 1 1 A 27 27 ALA C C 57 177.779 178.843 -1.064 2
1 348 . 1 1 A 27 27 ALA CA C 57 54.020 54.092 -0.072 2
1 349 . 1 1 A 27 27 ALA CB C 57 18.258 18.449 -0.191 2
1 350 . 1 1 A 27 27 ALA N N 57 125.334 123.336 1.998 2
1 351 . 1 1 A 28 28 GLN H H 58 7.113 8.179 -1.066 2
1 352 . 1 1 A 28 28 GLN HA H 58 4.262 4.224 0.038 2
1 359 . 1 1 A 28 28 GLN C C 58 174.984 176.000 -1.016 2
1 360 . 1 1 A 28 28 GLN CA C 58 56.272 56.635 -0.363 2
1 361 . 1 1 A 28 28 GLN CB C 58 28.627 27.946 0.681 2
1 364 . 1 1 A 28 28 GLN N N 58 112.472 114.230 -1.758 2
1 366 . 1 1 A 29 29 PHE H H 59 7.361 7.510 -0.149 2
1 367 . 1 1 A 29 29 PHE HA H 59 4.622 4.722 -0.100 2
1 375 . 1 1 A 29 29 PHE C C 59 173.987 175.698 -1.711 2
1 376 . 1 1 A 29 29 PHE CA C 59 59.534 58.772 0.762 2
1 377 . 1 1 A 29 29 PHE CB C 59 38.939 40.116 -1.177 2
1 381 . 1 1 A 29 29 PHE N N 59 118.258 119.748 -1.490 2
1 382 . 1 1 A 30 30 GLU H H 60 9.228 9.424 -0.196 2
1 383 . 1 1 A 30 30 GLU HA H 60 4.479 4.729 -0.250 2
1 388 . 1 1 A 30 30 GLU C C 60 176.282 175.913 0.369 2
1 389 . 1 1 A 30 30 GLU CA C 60 57.063 57.281 -0.218 2
1 390 . 1 1 A 30 30 GLU CB C 60 33.512 32.603 0.909 2
1 392 . 1 1 A 30 30 GLU N N 60 125.247 122.049 3.198 2
1 393 . 1 1 A 31 31 LYS H H 61 7.998 7.688 0.310 2
1 394 . 1 1 A 31 31 LYS HA H 61 5.074 4.768 0.306 2
1 403 . 1 1 A 31 31 LYS C C 61 172.325 174.490 -2.165 2
1 404 . 1 1 A 31 31 LYS CA C 61 54.881 55.040 -0.159 2
1 405 . 1 1 A 31 31 LYS CB C 61 35.683 35.427 0.256 2
1 409 . 1 1 A 31 31 LYS N N 61 113.709 116.396 -2.687 2
1 410 . 1 1 A 32 32 MET H H 62 9.051 9.095 -0.044 2
1 411 . 1 1 A 32 32 MET HA H 62 5.630 5.414 0.216 2
1 419 . 1 1 A 32 32 MET C C 62 172.898 174.132 -1.234 2
1 420 . 1 1 A 32 32 MET CA C 62 53.043 53.287 -0.244 2
1 421 . 1 1 A 32 32 MET CB C 62 35.214 35.621 -0.407 2
1 424 . 1 1 A 32 32 MET N N 62 118.635 117.463 1.172 2
1 425 . 1 1 A 33 33 VAL H H 63 9.186 8.810 0.376 2
1 426 . 1 1 A 33 33 VAL HA H 63 4.700 4.927 -0.227 2
1 434 . 1 1 A 33 33 VAL C C 63 174.133 173.805 0.328 2
1 435 . 1 1 A 33 33 VAL CA C 63 61.351 60.055 1.296 2
1 436 . 1 1 A 33 33 VAL CB C 63 34.651 35.479 -0.828 2
1 439 . 1 1 A 33 33 VAL N N 63 122.441 118.922 3.519 2
1 440 . 1 1 A 34 34 ILE H H 64 9.244 9.035 0.209 2
1 441 . 1 1 A 34 34 ILE HA H 64 4.302 4.821 -0.519 2
1 451 . 1 1 A 34 34 ILE C C 64 174.924 174.763 0.161 2
1 452 . 1 1 A 34 34 ILE CA C 64 60.422 59.674 0.748 2
1 453 . 1 1 A 34 34 ILE CB C 64 41.255 40.866 0.389 2
1 457 . 1 1 A 34 34 ILE N N 64 127.876 127.946 -0.070 2
1 458 . 1 1 A 35 35 LEU H H 65 9.117 9.283 -0.166 2
1 459 . 1 1 A 35 35 LEU HA H 65 5.531 5.467 0.064 2
1 469 . 1 1 A 35 35 LEU C C 65 178.538 176.453 2.085 2
1 470 . 1 1 A 35 35 LEU CA C 65 53.047 53.370 -0.323 2
1 471 . 1 1 A 35 35 LEU CB C 65 43.797 43.981 -0.184 2
1 475 . 1 1 A 35 35 LEU N N 65 125.572 127.425 -1.853 2
1 476 . 1 1 A 36 36 THR H H 66 8.634 8.832 -0.198 2
1 477 . 1 1 A 36 36 THR HA H 66 5.212 5.276 -0.064 2
1 482 . 1 1 A 36 36 THR C C 66 174.918 174.494 0.424 2
1 483 . 1 1 A 36 36 THR CA C 66 59.374 59.805 -0.431 2
1 484 . 1 1 A 36 36 THR CB C 66 72.100 71.544 0.556 2
1 486 . 1 1 A 36 36 THR N N 66 112.840 115.315 -2.475 2
1 487 . 1 1 A 37 37 GLU H H 67 8.580 8.665 -0.085 2
1 488 . 1 1 A 37 37 GLU HA H 67 4.469 4.182 0.287 2
1 493 . 1 1 A 37 37 GLU C C 67 177.333 176.857 0.476 2
1 494 . 1 1 A 37 37 GLU CA C 67 57.348 56.280 1.068 2
1 495 . 1 1 A 37 37 GLU CB C 67 31.357 30.531 0.826 2
1 497 . 1 1 A 37 37 GLU N N 67 118.675 121.572 -2.897 2
1 498 . 1 1 A 38 38 ASN H H 68 8.580 9.173 -0.593 2
1 499 . 1 1 A 38 38 ASN HA H 68 3.768 4.307 -0.539 2
1 504 . 1 1 A 38 38 ASN C C 68 172.921 174.543 -1.622 2
1 505 . 1 1 A 38 38 ASN CA C 68 54.686 54.508 0.178 2
1 506 . 1 1 A 38 38 ASN CB C 68 36.511 37.017 -0.506 2
1 508 . 1 1 A 38 38 ASN N N 68 114.341 117.057 -2.716 2
1 510 . 1 1 A 39 39 LYS H H 69 7.891 8.547 -0.656 2
1 511 . 1 1 A 39 39 LYS HA H 69 3.936 3.831 0.105 2
1 520 . 1 1 A 39 39 LYS C C 69 177.032 176.201 0.831 2
1 521 . 1 1 A 39 39 LYS CA C 69 56.758 57.474 -0.716 2
1 522 . 1 1 A 39 39 LYS CB C 69 28.099 29.568 -1.469 2
1 526 . 1 1 A 39 39 LYS N N 69 107.932 109.692 -1.760 2
1 527 . 1 1 A 40 40 GLY H H 70 6.998 7.780 -0.782 2
1 528 . 1 1 A 40 40 GLY HA2 H 70 4.362 3.868 0.494 2
1 529 . 1 1 A 40 40 GLY HA3 H 70 3.875 4.042 -0.167 2
1 530 . 1 1 A 40 40 GLY C C 70 173.763 172.080 1.683 2
1 531 . 1 1 A 40 40 GLY CA C 70 46.628 45.701 0.927 2
1 532 . 1 1 A 40 40 GLY N N 70 107.011 107.395 -0.384 2
1 533 . 1 1 A 41 41 TYR H H 71 7.679 8.491 -0.812 2
1 534 . 1 1 A 41 41 TYR HA H 71 5.097 5.353 -0.256 2
1 541 . 1 1 A 41 41 TYR C C 71 174.452 172.950 1.502 2
1 542 . 1 1 A 41 41 TYR CA C 71 57.730 56.656 1.074 2
1 543 . 1 1 A 41 41 TYR CB C 71 40.474 41.778 -1.304 2
1 546 . 1 1 A 41 41 TYR N N 71 129.822 123.646 6.176 2
1 547 . 1 1 A 42 42 TYR H H 72 9.101 8.660 0.441 2
1 548 . 1 1 A 42 42 TYR HA H 72 4.875 5.047 -0.172 2
1 555 . 1 1 A 42 42 TYR C C 72 174.448 174.336 0.112 2
1 556 . 1 1 A 42 42 TYR CA C 72 56.114 56.512 -0.398 2
1 557 . 1 1 A 42 42 TYR CB C 72 41.115 42.296 -1.181 2
1 560 . 1 1 A 42 42 TYR N N 72 126.527 126.324 0.203 2
1 561 . 1 1 A 43 43 THR H H 73 9.022 8.878 0.144 2
1 562 . 1 1 A 43 43 THR HA H 73 4.876 5.106 -0.230 2
1 567 . 1 1 A 43 43 THR C C 73 174.791 172.792 1.999 2
1 568 . 1 1 A 43 43 THR CA C 73 62.821 60.165 2.656 2
1 569 . 1 1 A 43 43 THR CB C 73 68.769 71.137 -2.368 2
1 571 . 1 1 A 43 43 THR N N 73 120.810 117.083 3.727 2
1 572 . 1 1 A 44 44 VAL H H 74 9.233 8.871 0.362 2
1 573 . 1 1 A 44 44 VAL HA H 74 4.427 4.618 -0.191 2
1 581 . 1 1 A 44 44 VAL C C 74 175.094 174.457 0.637 2
1 582 . 1 1 A 44 44 VAL CA C 74 61.457 61.041 0.416 2
1 583 . 1 1 A 44 44 VAL CB C 74 35.669 35.399 0.270 2
1 586 . 1 1 A 44 44 VAL N N 74 129.156 126.560 2.596 2
1 587 . 1 1 A 45 45 TYR H H 75 9.384 8.941 0.443 2
1 588 . 1 1 A 45 45 TYR HA H 75 4.528 4.738 -0.210 2
1 595 . 1 1 A 45 45 TYR C C 75 176.497 175.995 0.502 2
1 596 . 1 1 A 45 45 TYR CA C 75 59.843 58.363 1.480 2
1 597 . 1 1 A 45 45 TYR CB C 75 38.245 39.082 -0.837 2
1 600 . 1 1 A 45 45 TYR N N 75 128.465 126.897 1.568 2
1 601 . 1 1 A 46 46 LEU H H 76 8.524 9.078 -0.554 2
1 602 . 1 1 A 46 46 LEU HA H 76 4.528 4.444 0.084 2
1 612 . 1 1 A 46 46 LEU C C 76 177.001 178.300 -1.299 2
1 613 . 1 1 A 46 46 LEU CA C 76 55.010 55.727 -0.717 2
1 614 . 1 1 A 46 46 LEU CB C 76 42.094 42.231 -0.137 2
1 618 . 1 1 A 46 46 LEU N N 76 119.547 124.984 -5.437 2
1 619 . 1 1 A 47 47 ASN H H 77 8.599 8.027 0.572 2
1 620 . 1 1 A 47 47 ASN HA H 77 4.618 4.686 -0.068 2
1 625 . 1 1 A 47 47 ASN C C 77 173.844 175.268 -1.424 2
1 626 . 1 1 A 47 47 ASN CA C 77 54.045 55.129 -1.084 2
1 627 . 1 1 A 47 47 ASN CB C 77 37.058 38.549 -1.491 2
1 629 . 1 1 A 47 47 ASN N N 77 116.407 115.871 0.536 2
1 631 . 1 1 A 48 48 THR H H 78 7.429 7.597 -0.168 2
1 632 . 1 1 A 48 48 THR HA H 78 4.803 5.024 -0.221 2
1 637 . 1 1 A 48 48 THR C C 78 175.201 171.957 3.244 2
1 638 . 1 1 A 48 48 THR CA C 78 58.577 58.737 -0.160 2
1 639 . 1 1 A 48 48 THR CB C 78 70.494 70.829 -0.335 2
1 641 . 1 1 A 48 48 THR N N 78 111.551 110.050 1.501 2
1 642 . 1 1 A 49 49 PRO HA H 79 4.462 4.571 -0.109 2
1 649 . 1 1 A 49 49 PRO C C 79 176.670 176.885 -0.215 2
1 650 . 1 1 A 49 49 PRO CA C 79 62.384 62.765 -0.381 2
1 651 . 1 1 A 49 49 PRO CB C 79 32.205 32.098 0.107 2
1 654 . 1 1 A 50 50 LEU H H 80 9.049 8.336 0.713 2
1 655 . 1 1 A 50 50 LEU HA H 80 4.081 4.395 -0.314 2
1 665 . 1 1 A 50 50 LEU C C 80 176.758 176.505 0.253 2
1 666 . 1 1 A 50 50 LEU CA C 80 55.315 54.349 0.966 2
1 667 . 1 1 A 50 50 LEU CB C 80 41.915 43.057 -1.142 2
1 671 . 1 1 A 50 50 LEU N N 80 126.341 120.393 5.948 2
1 672 . 1 1 A 51 51 ALA H H 81 8.415 8.747 -0.332 2
1 673 . 1 1 A 51 51 ALA HA H 81 4.187 4.461 -0.274 2
1 677 . 1 1 A 51 51 ALA C C 81 179.005 178.467 0.538 2
1 678 . 1 1 A 51 51 ALA CA C 81 52.851 51.862 0.989 2
1 679 . 1 1 A 51 51 ALA CB C 81 19.625 19.920 -0.295 2
1 680 . 1 1 A 51 51 ALA N N 81 129.745 124.926 4.819 2
1 681 . 1 1 A 52 52 GLU H H 82 8.739 8.986 -0.247 2
1 682 . 1 1 A 52 52 GLU HA H 82 3.815 4.032 -0.217 2
1 687 . 1 1 A 52 52 GLU C C 82 178.591 178.204 0.387 2
1 688 . 1 1 A 52 52 GLU CA C 82 59.566 59.226 0.340 2
1 689 . 1 1 A 52 52 GLU CB C 82 29.774 29.188 0.586 2
1 691 . 1 1 A 52 52 GLU N N 82 121.424 121.315 0.109 2
1 692 . 1 1 A 53 53 ASP H H 83 8.511 8.207 0.304 2
1 693 . 1 1 A 53 53 ASP HA H 83 4.427 4.423 0.004 2
1 696 . 1 1 A 53 53 ASP C C 83 177.306 178.441 -1.135 2
1 697 . 1 1 A 53 53 ASP CA C 83 55.398 56.679 -1.281 2
1 698 . 1 1 A 53 53 ASP CB C 83 39.430 40.359 -0.929 2
1 699 . 1 1 A 53 53 ASP N N 83 114.043 119.834 -5.791 2
1 700 . 1 1 A 54 54 ARG H H 84 7.800 7.761 0.039 2
1 701 . 1 1 A 54 54 ARG HA H 84 4.527 4.221 0.306 2
1 710 . 1 1 A 54 54 ARG C C 84 176.966 178.589 -1.623 2
1 711 . 1 1 A 54 54 ARG CA C 84 55.915 58.196 -2.281 2
1 712 . 1 1 A 54 54 ARG CB C 84 31.804 30.283 1.521 2
1 715 . 1 1 A 54 54 ARG N N 84 118.147 119.210 -1.063 2
1 718 . 1 1 A 55 55 LYS H H 85 7.335 7.809 -0.474 2
1 719 . 1 1 A 55 55 LYS HA H 85 3.551 4.124 -0.573 2
1 728 . 1 1 A 55 55 LYS C C 85 178.113 177.608 0.505 2
1 729 . 1 1 A 55 55 LYS CA C 85 59.887 58.673 1.214 2
1 730 . 1 1 A 55 55 LYS CB C 85 32.935 32.262 0.673 2
1 734 . 1 1 A 55 55 LYS N N 85 116.576 119.156 -2.580 2
1 735 . 1 1 A 56 56 ASN H H 86 8.347 7.670 0.677 2
1 736 . 1 1 A 56 56 ASN HA H 86 4.886 4.914 -0.028 2
1 741 . 1 1 A 56 56 ASN C C 86 174.736 174.968 -0.232 2
1 742 . 1 1 A 56 56 ASN CA C 86 52.265 53.064 -0.799 2
1 743 . 1 1 A 56 56 ASN CB C 86 38.239 39.915 -1.676 2
1 745 . 1 1 A 56 56 ASN N N 86 114.341 115.405 -1.064 2
1 747 . 1 1 A 57 57 VAL H H 87 6.985 7.267 -0.282 2
1 748 . 1 1 A 57 57 VAL HA H 87 3.746 4.121 -0.375 2
1 756 . 1 1 A 57 57 VAL C C 87 175.380 175.846 -0.466 2
1 757 . 1 1 A 57 57 VAL CA C 87 63.723 62.196 1.527 2
1 758 . 1 1 A 57 57 VAL CB C 87 32.650 32.915 -0.265 2
1 761 . 1 1 A 57 57 VAL N N 87 121.424 121.468 -0.044 2
1 762 . 1 1 A 58 58 GLU H H 88 8.777 8.573 0.204 2
1 763 . 1 1 A 58 58 GLU HA H 88 4.339 4.606 -0.267 2
1 768 . 1 1 A 58 58 GLU C C 88 176.364 176.415 -0.051 2
1 769 . 1 1 A 58 58 GLU CA C 88 56.085 56.458 -0.373 2
1 770 . 1 1 A 58 58 GLU CB C 88 29.861 30.501 -0.640 2
1 772 . 1 1 A 58 58 GLU N N 88 129.489 127.485 2.004 2
1 773 . 1 1 A 59 59 LEU H H 89 8.230 8.806 -0.576 2
1 774 . 1 1 A 59 59 LEU HA H 89 4.299 4.385 -0.086 2
1 784 . 1 1 A 59 59 LEU C C 89 178.976 177.358 1.618 2
1 785 . 1 1 A 59 59 LEU CA C 89 54.651 54.645 0.006 2
1 786 . 1 1 A 59 59 LEU CB C 89 42.596 42.003 0.593 2
1 790 . 1 1 A 59 59 LEU N N 89 124.395 125.614 -1.219 2
1 791 . 1 1 A 60 60 LEU H H 90 7.777 9.233 -1.456 2
1 792 . 1 1 A 60 60 LEU HA H 90 4.135 4.226 -0.091 2
1 802 . 1 1 A 60 60 LEU C C 90 176.394 176.943 -0.549 2
1 803 . 1 1 A 60 60 LEU CA C 90 56.754 56.976 -0.222 2
1 804 . 1 1 A 60 60 LEU CB C 90 42.413 42.690 -0.277 2
1 808 . 1 1 A 60 60 LEU N N 90 119.734 125.396 -5.662 2
1 809 . 1 1 A 61 61 GLY H H 91 7.224 7.528 -0.304 2
1 810 . 1 1 A 61 61 GLY HA2 H 91 4.165 4.064 0.101 2
1 811 . 1 1 A 61 61 GLY HA3 H 91 3.899 4.082 -0.183 2
1 812 . 1 1 A 61 61 GLY C C 91 171.742 172.458 -0.716 2
1 813 . 1 1 A 61 61 GLY CA C 91 44.969 45.580 -0.611 2
1 814 . 1 1 A 61 61 GLY N N 91 103.707 104.439 -0.732 2
1 815 . 1 1 A 62 62 LYS H H 92 8.771 8.521 0.250 2
1 816 . 1 1 A 62 62 LYS HA H 92 4.150 4.320 -0.170 2
1 825 . 1 1 A 62 62 LYS C C 92 177.522 176.246 1.276 2
1 826 . 1 1 A 62 62 LYS CA C 92 56.750 56.345 0.405 2
1 827 . 1 1 A 62 62 LYS CB C 92 33.835 33.149 0.686 2
1 831 . 1 1 A 62 62 LYS N N 92 118.635 120.694 -2.059 2
1 832 . 1 1 A 63 63 MET H H 93 9.188 8.434 0.754 2
1 833 . 1 1 A 63 63 MET HA H 93 3.835 4.499 -0.664 2
1 841 . 1 1 A 63 63 MET C C 93 173.913 175.699 -1.786 2
1 842 . 1 1 A 63 63 MET CA C 93 59.275 54.349 4.926 2
1 843 . 1 1 A 63 63 MET CB C 93 31.483 31.443 0.040 2
1 846 . 1 1 A 63 63 MET N N 93 123.413 124.056 -0.643 2
1 847 . 1 1 A 64 64 TYR H H 94 9.421 8.554 0.867 2
1 848 . 1 1 A 64 64 TYR HA H 94 4.767 4.242 0.525 2
1 855 . 1 1 A 64 64 TYR C C 94 173.918 174.952 -1.034 2
1 856 . 1 1 A 64 64 TYR CA C 94 56.933 61.203 -4.270 2
1 857 . 1 1 A 64 64 TYR CB C 94 40.020 39.267 0.753 2
1 860 . 1 1 A 64 64 TYR N N 94 129.403 125.975 3.428 2
1 861 . 1 1 A 65 65 LYS H H 95 7.289 7.511 -0.222 2
1 862 . 1 1 A 65 65 LYS HA H 95 4.688 4.630 0.058 2
1 871 . 1 1 A 65 65 LYS C C 95 175.000 174.167 0.833 2
1 872 . 1 1 A 65 65 LYS CA C 95 55.841 55.187 0.654 2
1 873 . 1 1 A 65 65 LYS CB C 95 40.404 36.067 4.337 2
1 877 . 1 1 A 65 65 LYS N N 95 118.804 117.557 1.247 2
1 878 . 1 1 A 66 66 THR H H 96 8.727 8.004 0.723 2
1 879 . 1 1 A 66 66 THR HA H 96 5.149 5.176 -0.027 2
1 885 . 1 1 A 66 66 THR C C 96 172.120 172.575 -0.455 2
1 886 . 1 1 A 66 66 THR CA C 96 62.226 60.493 1.733 2
1 887 . 1 1 A 66 66 THR CB C 96 71.787 71.844 -0.057 2
1 889 . 1 1 A 66 66 THR N N 96 116.235 117.408 -1.173 2
1 890 . 1 1 A 67 67 TYR H H 97 8.969 9.002 -0.033 2
1 891 . 1 1 A 67 67 TYR HA H 97 5.027 5.139 -0.112 2
1 898 . 1 1 A 67 67 TYR C C 97 175.077 174.644 0.433 2
1 899 . 1 1 A 67 67 TYR CA C 97 57.278 56.584 0.694 2
1 900 . 1 1 A 67 67 TYR CB C 97 42.054 42.500 -0.446 2
1 903 . 1 1 A 67 67 TYR N N 97 125.256 124.019 1.237 2
1 904 . 1 1 A 68 68 PHE H H 98 9.189 9.018 0.171 2
1 905 . 1 1 A 68 68 PHE HA H 98 5.177 5.091 0.086 2
1 913 . 1 1 A 68 68 PHE C C 98 174.791 174.793 -0.002 2
1 914 . 1 1 A 68 68 PHE CA C 98 57.825 56.540 1.285 2
1 915 . 1 1 A 68 68 PHE CB C 98 42.377 43.202 -0.825 2
1 919 . 1 1 A 68 68 PHE N N 98 118.574 120.129 -1.555 2
1 920 . 1 1 A 69 69 PHE H H 99 8.976 9.452 -0.476 2
1 921 . 1 1 A 69 69 PHE HA H 99 4.893 5.240 -0.347 2
1 929 . 1 1 A 69 69 PHE C C 99 176.386 175.515 0.871 2
1 930 . 1 1 A 69 69 PHE CA C 99 56.777 56.284 0.493 2
1 931 . 1 1 A 69 69 PHE CB C 99 41.371 42.389 -1.018 2
1 935 . 1 1 A 69 69 PHE N N 99 119.573 120.845 -1.272 2
1 936 . 1 1 A 70 70 LYS H H 100 9.479 8.835 0.644 2
1 937 . 1 1 A 70 70 LYS HA H 100 4.533 4.370 0.163 2
1 946 . 1 1 A 70 70 LYS C C 100 176.156 176.773 -0.617 2
1 947 . 1 1 A 70 70 LYS CA C 100 56.706 56.078 0.628 2
1 948 . 1 1 A 70 70 LYS CB C 100 33.667 33.127 0.540 2
1 952 . 1 1 A 70 70 LYS N N 100 125.614 123.257 2.357 2
1 953 . 1 1 A 71 71 LYS H H 101 8.068 8.709 -0.641 2
1 954 . 1 1 A 71 71 LYS HA H 101 4.188 4.158 0.030 2
1 963 . 1 1 A 71 71 LYS C C 101 177.655 177.119 0.536 2
1 964 . 1 1 A 71 71 LYS CA C 101 58.238 57.451 0.787 2
1 965 . 1 1 A 71 71 LYS CB C 101 32.342 31.791 0.551 2
1 969 . 1 1 A 71 71 LYS N N 101 121.057 121.475 -0.418 2
1 970 . 1 1 A 72 72 GLY H H 102 8.899 8.806 0.093 2
1 971 . 1 1 A 72 72 GLY HA2 H 102 4.196 4.007 0.189 2
1 972 . 1 1 A 72 72 GLY HA3 H 102 3.815 4.019 -0.204 2
1 973 . 1 1 A 72 72 GLY C C 102 173.997 174.077 -0.080 2
1 974 . 1 1 A 72 72 GLY CA C 102 45.802 45.313 0.489 2
1 975 . 1 1 A 72 72 GLY N N 102 114.112 111.460 2.652 2
1 976 . 1 1 A 73 73 GLU H H 103 8.047 7.931 0.116 2
1 977 . 1 1 A 73 73 GLU HA H 103 4.764 4.763 0.001 2
1 982 . 1 1 A 73 73 GLU C C 103 175.975 175.874 0.101 2
1 983 . 1 1 A 73 73 GLU CA C 103 56.295 55.501 0.794 2
1 984 . 1 1 A 73 73 GLU CB C 103 31.153 32.301 -1.148 2
1 986 . 1 1 A 73 73 GLU N N 103 119.538 120.551 -1.013 2
1 987 . 1 1 A 74 74 SER H H 104 8.742 8.837 -0.095 2
1 988 . 1 1 A 74 74 SER HA H 104 4.598 4.811 -0.213 2
1 991 . 1 1 A 74 74 SER C C 104 171.916 173.721 -1.805 2
1 992 . 1 1 A 74 74 SER CA C 104 58.363 57.444 0.919 2
1 993 . 1 1 A 74 74 SER CB C 104 64.025 64.625 -0.600 2
1 994 . 1 1 A 74 74 SER N N 104 115.383 115.881 -0.498 2
1 995 . 1 1 A 75 75 LYS H H 105 7.608 7.573 0.035 2
1 996 . 1 1 A 75 75 LYS HA H 105 5.588 5.158 0.430 2
1 1005 . 1 1 A 75 75 LYS C C 105 176.017 174.777 1.240 2
1 1006 . 1 1 A 75 75 LYS CA C 105 54.548 55.388 -0.840 2
1 1007 . 1 1 A 75 75 LYS CB C 105 35.211 36.033 -0.822 2
1 1011 . 1 1 A 75 75 LYS N N 105 121.040 122.929 -1.889 2
1 1012 . 1 1 A 76 76 SER H H 106 8.231 8.972 -0.741 2
1 1013 . 1 1 A 76 76 SER HA H 106 3.377 4.139 -0.762 2
1 1016 . 1 1 A 76 76 SER C C 106 172.571 174.467 -1.896 2
1 1017 . 1 1 A 76 76 SER CA C 106 59.650 57.880 1.770 2
1 1018 . 1 1 A 76 76 SER CB C 106 64.857 63.897 0.960 2
1 1019 . 1 1 A 76 76 SER N N 106 121.783 119.125 2.658 2
1 1020 . 1 1 A 77 77 SER H H 107 8.333 8.953 -0.620 2
1 1021 . 1 1 A 77 77 SER HA H 107 5.025 4.664 0.361 2
1 1024 . 1 1 A 77 77 SER C C 107 174.507 173.539 0.968 2
1 1025 . 1 1 A 77 77 SER CA C 107 57.561 58.733 -1.172 2
1 1026 . 1 1 A 77 77 SER CB C 107 65.330 65.214 0.116 2
1 1027 . 1 1 A 77 77 SER N N 107 106.276 117.460 -11.184 2
1 1028 . 1 1 A 78 78 TYR H H 108 7.825 7.373 0.452 2
1 1029 . 1 1 A 78 78 TYR HA H 108 4.754 4.788 -0.034 2
1 1036 . 1 1 A 78 78 TYR C C 108 171.725 173.689 -1.964 2
1 1037 . 1 1 A 78 78 TYR CA C 108 57.778 56.889 0.889 2
1 1038 . 1 1 A 78 78 TYR CB C 108 43.223 41.812 1.411 2
1 1041 . 1 1 A 78 78 TYR N N 108 126.289 120.136 6.153 2
1 1042 . 1 1 A 79 79 VAL H H 109 7.760 8.315 -0.555 2
1 1043 . 1 1 A 79 79 VAL HA H 109 5.215 4.925 0.290 2
1 1051 . 1 1 A 79 79 VAL C C 109 172.526 173.793 -1.267 2
1 1052 . 1 1 A 79 79 VAL CA C 109 59.193 59.628 -0.435 2
1 1053 . 1 1 A 79 79 VAL CB C 109 36.173 35.783 0.390 2
1 1056 . 1 1 A 79 79 VAL N N 109 127.825 122.468 5.357 2
1 1057 . 1 1 A 80 80 ILE H H 110 8.616 8.358 0.258 2
1 1058 . 1 1 A 80 80 ILE HA H 110 4.011 4.489 -0.478 2
1 1068 . 1 1 A 80 80 ILE C C 110 174.690 174.376 0.314 2
1 1069 . 1 1 A 80 80 ILE CA C 110 60.922 59.927 0.995 2
1 1070 . 1 1 A 80 80 ILE CB C 110 42.047 41.647 0.400 2
1 1074 . 1 1 A 80 80 ILE N N 110 124.001 123.100 0.901 2
1 1075 . 1 1 A 81 81 ASN H H 111 8.937 8.478 0.459 2
1 1076 . 1 1 A 81 81 ASN HA H 111 4.760 5.260 -0.500 2
1 1081 . 1 1 A 81 81 ASN C C 111 175.326 175.291 0.035 2
1 1082 . 1 1 A 81 81 ASN CA C 111 53.600 51.774 1.826 2
1 1083 . 1 1 A 81 81 ASN CB C 111 40.412 40.575 -0.163 2
1 1085 . 1 1 A 81 81 ASN N N 111 126.229 124.638 1.591 2
1 1087 . 1 1 A 82 82 GLY H H 112 7.984 8.290 -0.306 2
1 1088 . 1 1 A 82 82 GLY HA2 H 112 4.457 4.206 0.251 2
1 1089 . 1 1 A 82 82 GLY HA3 H 112 3.847 4.229 -0.382 2
1 1090 . 1 1 A 82 82 GLY C C 112 171.875 172.228 -0.353 2
1 1091 . 1 1 A 82 82 GLY CA C 112 43.303 45.002 -1.699 2
1 1092 . 1 1 A 82 82 GLY N N 112 110.894 109.030 1.864 2
1 1093 . 1 1 A 83 83 PRO HA H 113 4.609 4.521 0.088 2
1 1100 . 1 1 A 83 83 PRO C C 113 178.327 176.980 1.347 2
1 1101 . 1 1 A 83 83 PRO CA C 113 63.342 63.350 -0.008 2
1 1102 . 1 1 A 83 83 PRO CB C 113 32.232 31.720 0.512 2
1 1105 . 1 1 A 84 84 GLY H H 114 8.939 8.456 0.483 2
1 1106 . 1 1 A 84 84 GLY HA2 H 114 4.055 4.087 -0.032 2
1 1107 . 1 1 A 84 84 GLY HA3 H 114 3.192 4.151 -0.959 2
1 1108 . 1 1 A 84 84 GLY C C 114 172.587 174.623 -2.036 2
1 1109 . 1 1 A 84 84 GLY CA C 114 44.667 45.195 -0.528 2
1 1110 . 1 1 A 84 84 GLY N N 114 109.324 110.603 -1.279 2
1 1111 . 1 1 A 85 85 LYS H H 115 9.550 8.542 1.008 2
1 1112 . 1 1 A 85 85 LYS HA H 115 4.527 4.238 0.289 2
1 1121 . 1 1 A 85 85 LYS C C 115 175.690 174.998 0.692 2
1 1122 . 1 1 A 85 85 LYS CA C 115 56.251 57.435 -1.184 2
1 1123 . 1 1 A 85 85 LYS CB C 115 34.217 33.129 1.088 2
1 1127 . 1 1 A 85 85 LYS N N 115 119.240 119.369 -0.129 2
1 1128 . 1 1 A 86 86 THR H H 116 7.327 7.420 -0.093 2
1 1129 . 1 1 A 86 86 THR HA H 116 3.572 4.024 -0.452 2
1 1134 . 1 1 A 86 86 THR C C 116 170.519 172.945 -2.426 2
1 1135 . 1 1 A 86 86 THR CA C 116 59.094 60.245 -1.151 2
1 1136 . 1 1 A 86 86 THR CB C 116 68.191 69.915 -1.724 2
1 1138 . 1 1 A 86 86 THR N N 116 113.403 111.468 1.935 2
1 1139 . 1 1 A 87 87 ASN H H 117 8.035 8.650 -0.615 2
1 1140 . 1 1 A 87 87 ASN HA H 117 4.914 4.711 0.203 2
1 1145 . 1 1 A 87 87 ASN C C 117 175.798 176.048 -0.250 2
1 1146 . 1 1 A 87 87 ASN CA C 117 52.062 55.107 -3.045 2
1 1147 . 1 1 A 87 87 ASN CB C 117 40.563 38.675 1.888 2
1 1149 . 1 1 A 87 87 ASN N N 117 118.907 123.262 -4.355 2
1 1151 . 1 1 A 88 88 GLU H H 118 8.362 7.598 0.764 2
1 1152 . 1 1 A 88 88 GLU HA H 118 4.116 4.392 -0.276 2
1 1157 . 1 1 A 88 88 GLU C C 118 175.935 175.864 0.071 2
1 1158 . 1 1 A 88 88 GLU CA C 118 55.589 55.942 -0.353 2
1 1159 . 1 1 A 88 88 GLU CB C 118 29.435 28.937 0.498 2
1 1161 . 1 1 A 88 88 GLU N N 118 119.547 117.363 2.184 2
1 1162 . 1 1 A 89 89 TYR H H 119 7.918 8.319 -0.401 2
1 1163 . 1 1 A 89 89 TYR HA H 119 4.639 4.514 0.125 2
1 1170 . 1 1 A 89 89 TYR C C 119 175.750 174.996 0.754 2
1 1171 . 1 1 A 89 89 TYR CA C 119 59.270 58.546 0.724 2
1 1172 . 1 1 A 89 89 TYR CB C 119 38.274 37.355 0.919 2
1 1175 . 1 1 A 89 89 TYR N N 119 118.293 119.882 -1.589 2
1 1176 . 1 1 A 90 90 ALA H H 120 8.285 8.482 -0.197 2
1 1177 . 1 1 A 90 90 ALA HA H 120 4.273 4.293 -0.020 2
1 1181 . 1 1 A 90 90 ALA C C 120 175.773 175.998 -0.225 2
1 1182 . 1 1 A 90 90 ALA CA C 120 52.014 52.259 -0.245 2
1 1183 . 1 1 A 90 90 ALA CB C 120 19.920 18.212 1.708 2
1 1184 . 1 1 A 90 90 ALA N N 120 126.212 122.373 3.839 2
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