data_15477_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15477
_Entry.PDB_ID 2JVE
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 16 . 1 1 1 A 22 22 ALA H H 19 8.052 8.931 -0.879 1
1 17 . 1 1 1 A 22 22 ALA HA H 19 4.191 4.630 -0.439 1
1 21 . 1 1 1 A 22 22 ALA C C 19 176.151 176.765 -0.614 1
1 22 . 1 1 1 A 22 22 ALA CA C 19 51.960 52.922 -0.962 1
1 23 . 1 1 1 A 22 22 ALA CB C 19 19.784 18.058 1.726 1
1 24 . 1 1 1 A 22 22 ALA N N 19 125.891 125.487 0.404 1
1 25 . 1 1 1 A 23 23 LEU H H 20 8.117 8.395 -0.278 1
1 26 . 1 1 1 A 23 23 LEU HA H 20 4.273 4.565 -0.292 1
1 36 . 1 1 1 A 23 23 LEU C C 20 174.307 176.201 -1.894 1
1 37 . 1 1 1 A 23 23 LEU CA C 20 54.838 53.992 0.846 1
1 38 . 1 1 1 A 23 23 LEU CB C 20 44.574 43.068 1.506 1
1 42 . 1 1 1 A 23 23 LEU N N 20 125.488 123.845 1.643 1
1 43 . 1 1 1 A 24 24 LYS H H 21 7.915 8.498 -0.583 1
1 44 . 1 1 1 A 24 24 LYS HA H 21 5.287 5.404 -0.117 1
1 53 . 1 1 1 A 24 24 LYS C C 21 175.901 175.334 0.567 1
1 54 . 1 1 1 A 24 24 LYS CA C 21 54.174 54.962 -0.788 1
1 55 . 1 1 1 A 24 24 LYS CB C 21 34.841 32.970 1.871 1
1 59 . 1 1 1 A 24 24 LYS N N 21 122.369 122.675 -0.306 1
1 60 . 1 1 1 A 25 25 CYS H H 22 8.426 8.384 0.042 1
1 61 . 1 1 1 A 25 25 CYS HA H 22 4.886 5.084 -0.198 1
1 64 . 1 1 1 A 25 25 CYS C C 22 175.309 172.876 2.433 1
1 65 . 1 1 1 A 25 25 CYS CA C 22 51.680 54.652 -2.972 1
1 66 . 1 1 1 A 25 25 CYS CB C 22 41.829 47.146 -5.317 1
1 67 . 1 1 1 A 25 25 CYS N N 22 117.505 122.382 -4.877 1
1 68 . 1 1 1 A 26 26 PHE H H 23 8.960 8.642 0.318 1
1 69 . 1 1 1 A 26 26 PHE HA H 23 5.057 5.186 -0.129 1
1 74 . 1 1 1 A 26 26 PHE C C 23 176.694 175.937 0.757 1
1 75 . 1 1 1 A 26 26 PHE CA C 23 60.302 58.565 1.737 1
1 76 . 1 1 1 A 26 26 PHE CB C 23 39.490 40.174 -0.684 1
1 79 . 1 1 1 A 26 26 PHE N N 23 120.038 121.619 -1.581 1
1 80 . 1 1 1 A 27 27 THR H H 24 9.071 9.009 0.062 1
1 81 . 1 1 1 A 27 27 THR HA H 24 4.960 5.012 -0.052 1
1 86 . 1 1 1 A 27 27 THR C C 24 173.722 172.843 0.879 1
1 87 . 1 1 1 A 27 27 THR CA C 24 59.835 61.441 -1.606 1
1 88 . 1 1 1 A 27 27 THR CB C 24 71.382 70.759 0.623 1
1 90 . 1 1 1 A 27 27 THR N N 24 114.266 118.668 -4.402 1
1 91 . 1 1 1 A 28 28 ARG H H 25 8.398 8.828 -0.430 1
1 92 . 1 1 1 A 28 28 ARG HA H 25 5.158 4.853 0.305 1
1 99 . 1 1 1 A 28 28 ARG C C 25 175.547 175.004 0.543 1
1 100 . 1 1 1 A 28 28 ARG CA C 25 54.586 54.961 -0.375 1
1 101 . 1 1 1 A 28 28 ARG CB C 25 32.443 31.904 0.539 1
1 104 . 1 1 1 A 28 28 ARG N N 25 123.189 128.106 -4.917 1
1 105 . 1 1 1 A 29 29 ASN H H 26 8.589 9.424 -0.835 1
1 106 . 1 1 1 A 29 29 ASN HA H 26 4.938 5.079 -0.141 1
1 109 . 1 1 1 A 29 29 ASN C C 26 175.273 175.386 -0.113 1
1 110 . 1 1 1 A 29 29 ASN CA C 26 52.276 52.015 0.261 1
1 111 . 1 1 1 A 29 29 ASN CB C 26 39.660 39.270 0.390 1
1 112 . 1 1 1 A 29 29 ASN N N 26 125.242 126.094 -0.852 1
1 113 . 1 1 1 A 30 30 GLY H H 27 9.046 8.724 0.322 1
1 114 . 1 1 1 A 30 30 GLY HA2 H 27 3.649 3.890 -0.241 1
1 115 . 1 1 1 A 30 30 GLY HA3 H 27 3.996 3.893 0.103 1
1 116 . 1 1 1 A 30 30 GLY C C 27 174.707 173.998 0.709 1
1 117 . 1 1 1 A 30 30 GLY CA C 27 46.906 47.042 -0.136 1
1 118 . 1 1 1 A 30 30 GLY N N 27 115.613 114.601 1.012 1
1 119 . 1 1 1 A 31 31 ASP H H 28 8.956 8.749 0.207 1
1 120 . 1 1 1 A 31 31 ASP HA H 28 4.648 4.859 -0.211 1
1 123 . 1 1 1 A 31 31 ASP C C 28 175.670 175.198 0.472 1
1 124 . 1 1 1 A 31 31 ASP CA C 28 54.939 53.423 1.516 1
1 125 . 1 1 1 A 31 31 ASP CB C 28 41.505 42.995 -1.490 1
1 126 . 1 1 1 A 31 31 ASP N N 28 126.791 125.088 1.703 1
1 127 . 1 1 1 A 32 32 ASP H H 29 7.973 7.595 0.378 1
1 128 . 1 1 1 A 32 32 ASP HA H 29 4.778 4.646 0.132 1
1 131 . 1 1 1 A 32 32 ASP C C 29 174.871 175.316 -0.445 1
1 132 . 1 1 1 A 32 32 ASP CA C 29 54.192 53.191 1.001 1
1 133 . 1 1 1 A 32 32 ASP CB C 29 42.663 42.225 0.438 1
1 134 . 1 1 1 A 32 32 ASP N N 29 120.240 118.754 1.486 1
1 135 . 1 1 1 A 33 33 ARG H H 30 8.682 8.464 0.218 1
1 136 . 1 1 1 A 33 33 ARG HA H 30 5.020 5.085 -0.065 1
1 143 . 1 1 1 A 33 33 ARG C C 30 175.569 175.120 0.449 1
1 144 . 1 1 1 A 33 33 ARG CA C 30 55.487 54.820 0.667 1
1 145 . 1 1 1 A 33 33 ARG CB C 30 31.962 31.913 0.049 1
1 148 . 1 1 1 A 33 33 ARG N N 30 125.183 120.567 4.616 1
1 149 . 1 1 1 A 34 34 THR H H 31 8.976 9.228 -0.252 1
1 150 . 1 1 1 A 34 34 THR HA H 31 4.764 4.968 -0.204 1
1 155 . 1 1 1 A 34 34 THR C C 31 172.745 173.516 -0.771 1
1 156 . 1 1 1 A 34 34 THR CA C 31 59.891 61.861 -1.970 1
1 157 . 1 1 1 A 34 34 THR CB C 31 71.522 71.741 -0.219 1
1 159 . 1 1 1 A 34 34 THR N N 31 120.162 119.828 0.334 1
1 160 . 1 1 1 A 35 35 VAL H H 32 8.286 8.774 -0.488 1
1 161 . 1 1 1 A 35 35 VAL HA H 32 4.110 4.039 0.071 1
1 169 . 1 1 1 A 35 35 VAL C C 32 175.720 175.498 0.222 1
1 170 . 1 1 1 A 35 35 VAL CA C 32 62.838 63.213 -0.375 1
1 171 . 1 1 1 A 35 35 VAL CB C 32 32.883 31.052 1.831 1
1 174 . 1 1 1 A 35 35 VAL N N 32 122.209 127.617 -5.408 1
1 175 . 1 1 1 A 36 36 THR H H 33 8.749 8.751 -0.002 1
1 176 . 1 1 1 A 36 36 THR HA H 33 4.486 5.249 -0.763 1
1 181 . 1 1 1 A 36 36 THR C C 33 173.029 172.846 0.183 1
1 182 . 1 1 1 A 36 36 THR CA C 33 61.029 59.487 1.542 1
1 183 . 1 1 1 A 36 36 THR CB C 33 71.425 71.023 0.402 1
1 185 . 1 1 1 A 36 36 THR N N 33 125.259 119.105 6.154 1
1 186 . 1 1 1 A 37 37 THR H H 34 8.544 8.954 -0.410 1
1 187 . 1 1 1 A 37 37 THR HA H 34 4.371 5.276 -0.905 1
1 192 . 1 1 1 A 37 37 THR C C 34 173.839 173.893 -0.054 1
1 193 . 1 1 1 A 37 37 THR CA C 34 62.892 60.232 2.660 1
1 194 . 1 1 1 A 37 37 THR CB C 34 68.156 70.398 -2.242 1
1 196 . 1 1 1 A 37 37 THR N N 34 122.774 118.297 4.477 1
1 197 . 1 1 1 A 38 38 CYS H H 35 9.227 9.361 -0.134 1
1 198 . 1 1 1 A 38 38 CYS HA H 35 4.516 5.103 -0.587 1
1 201 . 1 1 1 A 38 38 CYS C C 35 174.923 174.164 0.759 1
1 202 . 1 1 1 A 38 38 CYS CA C 35 52.962 54.644 -1.682 1
1 203 . 1 1 1 A 38 38 CYS CB C 35 37.439 44.662 -7.223 1
1 204 . 1 1 1 A 38 38 CYS N N 35 129.056 127.068 1.988 1
1 205 . 1 1 1 A 39 39 ALA H H 36 8.113 8.791 -0.678 1
1 206 . 1 1 1 A 39 39 ALA HA H 36 4.313 4.526 -0.213 1
1 210 . 1 1 1 A 39 39 ALA C C 36 178.809 178.492 0.317 1
1 211 . 1 1 1 A 39 39 ALA CA C 36 52.125 51.719 0.406 1
1 212 . 1 1 1 A 39 39 ALA CB C 36 19.235 20.422 -1.187 1
1 213 . 1 1 1 A 39 39 ALA N N 36 122.621 124.861 -2.240 1
1 214 . 1 1 1 A 40 40 GLU H H 37 8.701 8.910 -0.209 1
1 215 . 1 1 1 A 40 40 GLU HA H 37 3.826 3.978 -0.152 1
1 220 . 1 1 1 A 40 40 GLU C C 37 177.999 178.607 -0.608 1
1 221 . 1 1 1 A 40 40 GLU CA C 37 60.104 59.634 0.470 1
1 222 . 1 1 1 A 40 40 GLU CB C 37 29.712 29.196 0.516 1
1 224 . 1 1 1 A 40 40 GLU N N 37 120.905 118.329 2.576 1
1 225 . 1 1 1 A 41 41 GLU H H 38 8.870 8.703 0.167 1
1 226 . 1 1 1 A 41 41 GLU HA H 38 4.233 4.089 0.144 1
1 231 . 1 1 1 A 41 41 GLU C C 38 176.790 177.671 -0.881 1
1 232 . 1 1 1 A 41 41 GLU CA C 38 57.438 59.288 -1.850 1
1 233 . 1 1 1 A 41 41 GLU CB C 38 28.813 29.235 -0.422 1
1 235 . 1 1 1 A 41 41 GLU N N 38 113.838 118.515 -4.677 1
1 236 . 1 1 1 A 42 42 GLN H H 39 7.935 7.832 0.103 1
1 237 . 1 1 1 A 42 42 GLN HA H 39 4.069 4.520 -0.451 1
1 242 . 1 1 1 A 42 42 GLN C C 39 174.033 176.663 -2.630 1
1 243 . 1 1 1 A 42 42 GLN CA C 39 55.177 55.001 0.176 1
1 244 . 1 1 1 A 42 42 GLN CB C 39 28.144 27.110 1.034 1
1 246 . 1 1 1 A 42 42 GLN N N 39 120.919 117.476 3.443 1
1 247 . 1 1 1 A 43 43 THR H H 40 6.846 7.796 -0.950 1
1 248 . 1 1 1 A 43 43 THR HA H 40 4.340 4.267 0.073 1
1 253 . 1 1 1 A 43 43 THR C C 40 175.221 174.150 1.071 1
1 254 . 1 1 1 A 43 43 THR CA C 40 60.677 62.771 -2.094 1
1 255 . 1 1 1 A 43 43 THR CB C 40 68.516 69.132 -0.616 1
1 257 . 1 1 1 A 43 43 THR N N 40 109.859 112.504 -2.645 1
1 258 . 1 1 1 A 44 44 ARG H H 41 8.496 7.383 1.113 1
1 259 . 1 1 1 A 44 44 ARG HA H 41 5.001 4.658 0.343 1
1 266 . 1 1 1 A 44 44 ARG C C 41 174.082 175.284 -1.202 1
1 267 . 1 1 1 A 44 44 ARG CA C 41 52.838 54.243 -1.405 1
1 268 . 1 1 1 A 44 44 ARG CB C 41 34.466 32.645 1.821 1
1 271 . 1 1 1 A 44 44 ARG N N 41 122.000 120.564 1.436 1
1 272 . 1 1 1 A 45 45 CYS H H 42 8.814 8.992 -0.178 1
1 273 . 1 1 1 A 45 45 CYS HA H 42 5.566 5.228 0.338 1
1 276 . 1 1 1 A 45 45 CYS C C 42 173.806 171.465 2.341 1
1 277 . 1 1 1 A 45 45 CYS CA C 42 51.956 55.136 -3.180 1
1 278 . 1 1 1 A 45 45 CYS CB C 42 38.526 46.242 -7.716 1
1 279 . 1 1 1 A 45 45 CYS N N 42 115.378 118.300 -2.922 1
1 280 . 1 1 1 A 46 46 LEU H H 43 9.234 9.401 -0.167 1
1 281 . 1 1 1 A 46 46 LEU HA H 43 5.382 4.983 0.399 1
1 291 . 1 1 1 A 46 46 LEU C C 43 176.639 175.491 1.148 1
1 292 . 1 1 1 A 46 46 LEU CA C 43 53.739 53.878 -0.139 1
1 293 . 1 1 1 A 46 46 LEU CB C 43 46.024 44.021 2.003 1
1 297 . 1 1 1 A 46 46 LEU N N 43 122.940 128.158 -5.218 1
1 298 . 1 1 1 A 47 47 PHE H H 44 9.048 8.975 0.073 1
1 299 . 1 1 1 A 47 47 PHE HA H 44 5.700 5.858 -0.158 1
1 306 . 1 1 1 A 47 47 PHE C C 44 173.708 173.595 0.113 1
1 307 . 1 1 1 A 47 47 PHE CA C 44 56.494 56.665 -0.171 1
1 308 . 1 1 1 A 47 47 PHE CB C 44 44.246 42.177 2.069 1
1 313 . 1 1 1 A 47 47 PHE N N 44 128.522 128.011 0.511 1
1 314 . 1 1 1 A 48 48 VAL H H 45 8.086 8.403 -0.317 1
1 315 . 1 1 1 A 48 48 VAL HA H 45 4.234 4.498 -0.264 1
1 323 . 1 1 1 A 48 48 VAL C C 45 173.728 174.563 -0.835 1
1 324 . 1 1 1 A 48 48 VAL CA C 45 61.110 60.031 1.079 1
1 325 . 1 1 1 A 48 48 VAL CB C 45 36.121 34.553 1.568 1
1 328 . 1 1 1 A 48 48 VAL N N 45 124.455 126.920 -2.465 1
1 329 . 1 1 1 A 49 49 GLN H H 46 8.391 9.072 -0.681 1
1 330 . 1 1 1 A 49 49 GLN HA H 46 4.155 4.297 -0.142 1
1 335 . 1 1 1 A 49 49 GLN C C 46 174.214 175.685 -1.471 1
1 336 . 1 1 1 A 49 49 GLN CA C 46 54.491 56.367 -1.876 1
1 337 . 1 1 1 A 49 49 GLN CB C 46 29.986 29.206 0.780 1
1 339 . 1 1 1 A 49 49 GLN N N 46 126.537 126.169 0.368 1
1 340 . 1 1 1 A 50 50 LEU H H 47 7.646 8.095 -0.449 1
1 341 . 1 1 1 A 50 50 LEU HA H 47 3.856 4.762 -0.906 1
1 351 . 1 1 1 A 50 50 LEU C C 47 175.649 176.447 -0.798 1
1 352 . 1 1 1 A 50 50 LEU CA C 47 53.706 51.075 2.631 1
1 353 . 1 1 1 A 50 50 LEU CB C 47 39.821 45.176 -5.355 1
1 357 . 1 1 1 A 50 50 LEU N N 47 127.637 124.310 3.327 1
1 358 . 1 1 1 A 51 51 PRO HA H 48 3.921 4.319 -0.398 1
1 365 . 1 1 1 A 51 51 PRO C C 48 177.492 175.543 1.949 1
1 366 . 1 1 1 A 51 51 PRO CA C 48 65.923 63.698 2.225 1
1 367 . 1 1 1 A 51 51 PRO CB C 48 31.509 31.295 0.214 1
1 370 . 1 1 1 A 52 52 TYR H H 49 7.517 7.693 -0.176 1
1 371 . 1 1 1 A 52 52 TYR HA H 49 4.790 4.695 0.095 1
1 378 . 1 1 1 A 52 52 TYR C C 49 175.214 175.504 -0.290 1
1 379 . 1 1 1 A 52 52 TYR CA C 49 55.767 59.115 -3.348 1
1 380 . 1 1 1 A 52 52 TYR CB C 49 39.277 40.405 -1.128 1
1 385 . 1 1 1 A 52 52 TYR N N 49 109.643 117.159 -7.516 1
1 386 . 1 1 1 A 53 53 SER H H 50 6.986 8.002 -1.016 1
1 387 . 1 1 1 A 53 53 SER HA H 50 4.409 4.929 -0.520 1
1 390 . 1 1 1 A 53 53 SER C C 50 171.925 172.708 -0.783 1
1 391 . 1 1 1 A 53 53 SER CA C 50 57.189 56.941 0.248 1
1 392 . 1 1 1 A 53 53 SER CB C 50 63.786 65.679 -1.893 1
1 393 . 1 1 1 A 53 53 SER N N 50 112.994 112.924 0.070 1
1 394 . 1 1 1 A 54 54 GLU H H 51 7.890 9.096 -1.206 1
1 395 . 1 1 1 A 54 54 GLU HA H 51 4.903 5.013 -0.110 1
1 400 . 1 1 1 A 54 54 GLU C C 51 175.536 174.450 1.086 1
1 401 . 1 1 1 A 54 54 GLU CA C 51 54.722 54.687 0.035 1
1 402 . 1 1 1 A 54 54 GLU CB C 51 33.225 33.819 -0.594 1
1 404 . 1 1 1 A 54 54 GLU N N 51 115.330 118.053 -2.723 1
1 405 . 1 1 1 A 55 55 ILE H H 52 8.600 8.368 0.232 1
1 406 . 1 1 1 A 55 55 ILE HA H 52 4.302 4.750 -0.448 1
1 416 . 1 1 1 A 55 55 ILE C C 52 175.783 175.266 0.517 1
1 417 . 1 1 1 A 55 55 ILE CA C 52 60.360 59.953 0.407 1
1 418 . 1 1 1 A 55 55 ILE CB C 52 39.228 38.582 0.646 1
1 422 . 1 1 1 A 55 55 ILE N N 52 122.129 123.539 -1.410 1
1 423 . 1 1 1 A 56 56 GLN H H 53 8.573 8.649 -0.076 1
1 424 . 1 1 1 A 56 56 GLN HA H 53 5.394 5.534 -0.140 1
1 429 . 1 1 1 A 56 56 GLN C C 53 174.379 174.608 -0.229 1
1 430 . 1 1 1 A 56 56 GLN CA C 53 54.790 54.526 0.264 1
1 431 . 1 1 1 A 56 56 GLN CB C 53 33.315 32.394 0.921 1
1 433 . 1 1 1 A 56 56 GLN N N 53 126.768 126.043 0.725 1
1 434 . 1 1 1 A 57 57 GLU H H 54 7.782 8.746 -0.964 1
1 435 . 1 1 1 A 57 57 GLU HA H 54 4.967 4.875 0.092 1
1 440 . 1 1 1 A 57 57 GLU C C 54 176.345 175.023 1.322 1
1 441 . 1 1 1 A 57 57 GLU CA C 54 55.405 55.133 0.272 1
1 442 . 1 1 1 A 57 57 GLU CB C 54 36.080 32.235 3.845 1
1 444 . 1 1 1 A 57 57 GLU N N 54 117.990 120.230 -2.240 1
1 445 . 1 1 1 A 58 58 CYS H H 55 8.780 8.449 0.331 1
1 446 . 1 1 1 A 58 58 CYS HA H 55 5.145 4.991 0.154 1
1 449 . 1 1 1 A 58 58 CYS C C 55 175.293 173.292 2.001 1
1 450 . 1 1 1 A 58 58 CYS CA C 55 57.749 55.979 1.770 1
1 451 . 1 1 1 A 58 58 CYS CB C 55 45.523 42.860 2.663 1
1 452 . 1 1 1 A 58 58 CYS N N 55 119.662 120.000 -0.338 1
1 453 . 1 1 1 A 59 59 LYS H H 56 9.277 8.466 0.811 1
1 454 . 1 1 1 A 59 59 LYS HA H 56 4.896 4.574 0.322 1
1 463 . 1 1 1 A 59 59 LYS C C 56 176.049 174.954 1.095 1
1 464 . 1 1 1 A 59 59 LYS CA C 56 53.903 55.620 -1.717 1
1 465 . 1 1 1 A 59 59 LYS CB C 56 40.637 35.836 4.801 1
1 469 . 1 1 1 A 59 59 LYS N N 56 120.535 124.221 -3.686 1
1 470 . 1 1 1 A 60 60 THR H H 57 7.997 8.719 -0.722 1
1 471 . 1 1 1 A 60 60 THR HA H 57 4.876 4.662 0.214 1
1 476 . 1 1 1 A 60 60 THR C C 57 175.637 175.728 -0.091 1
1 477 . 1 1 1 A 60 60 THR CA C 57 61.017 63.892 -2.875 1
1 478 . 1 1 1 A 60 60 THR CB C 57 70.774 69.182 1.592 1
1 480 . 1 1 1 A 60 60 THR N N 57 108.910 121.421 -12.511 1
1 481 . 1 1 1 A 61 61 VAL H H 58 8.689 8.715 -0.026 1
1 482 . 1 1 1 A 61 61 VAL HA H 58 3.477 3.632 -0.155 1
1 490 . 1 1 1 A 61 61 VAL C C 58 178.541 177.480 1.061 1
1 491 . 1 1 1 A 61 61 VAL CA C 58 67.024 66.840 0.184 1
1 492 . 1 1 1 A 61 61 VAL CB C 58 31.751 31.881 -0.130 1
1 495 . 1 1 1 A 61 61 VAL N N 58 121.313 124.503 -3.190 1
1 496 . 1 1 1 A 62 62 GLN H H 59 8.564 8.225 0.339 1
1 497 . 1 1 1 A 62 62 GLN HA H 59 4.062 4.000 0.062 1
1 502 . 1 1 1 A 62 62 GLN C C 59 178.871 178.074 0.797 1
1 503 . 1 1 1 A 62 62 GLN CA C 59 58.993 59.335 -0.342 1
1 504 . 1 1 1 A 62 62 GLN CB C 59 28.085 28.306 -0.221 1
1 506 . 1 1 1 A 62 62 GLN N N 59 119.395 119.562 -0.167 1
1 507 . 1 1 1 A 63 63 GLN H H 60 7.644 8.010 -0.366 1
1 508 . 1 1 1 A 63 63 GLN HA H 60 4.082 4.576 -0.494 1
1 513 . 1 1 1 A 63 63 GLN C C 60 179.023 178.238 0.785 1
1 514 . 1 1 1 A 63 63 GLN CA C 60 58.106 58.757 -0.651 1
1 515 . 1 1 1 A 63 63 GLN CB C 60 29.283 28.148 1.135 1
1 517 . 1 1 1 A 63 63 GLN N N 60 116.638 118.056 -1.418 1
1 518 . 1 1 1 A 64 64 CYS H H 61 8.543 8.682 -0.139 1
1 519 . 1 1 1 A 64 64 CYS HA H 61 3.951 4.339 -0.388 1
1 522 . 1 1 1 A 64 64 CYS C C 61 176.171 176.165 0.006 1
1 523 . 1 1 1 A 64 64 CYS CA C 61 64.735 58.952 5.783 1
1 524 . 1 1 1 A 64 64 CYS CB C 61 40.828 42.113 -1.285 1
1 525 . 1 1 1 A 64 64 CYS N N 61 118.614 118.012 0.602 1
1 526 . 1 1 1 A 65 65 ALA H H 62 7.791 8.036 -0.245 1
1 527 . 1 1 1 A 65 65 ALA HA H 62 4.021 3.984 0.037 1
1 531 . 1 1 1 A 65 65 ALA C C 62 180.353 179.445 0.908 1
1 532 . 1 1 1 A 65 65 ALA CA C 62 55.249 55.443 -0.194 1
1 533 . 1 1 1 A 65 65 ALA CB C 62 18.069 17.686 0.383 1
1 534 . 1 1 1 A 65 65 ALA N N 62 119.479 122.887 -3.408 1
1 535 . 1 1 1 A 66 66 GLU H H 63 7.685 8.504 -0.819 1
1 536 . 1 1 1 A 66 66 GLU HA H 63 4.041 4.106 -0.065 1
1 541 . 1 1 1 A 66 66 GLU C C 63 179.701 178.223 1.478 1
1 542 . 1 1 1 A 66 66 GLU CA C 63 59.440 59.384 0.056 1
1 543 . 1 1 1 A 66 66 GLU CB C 63 29.735 29.156 0.579 1
1 545 . 1 1 1 A 66 66 GLU N N 63 117.981 116.519 1.462 1
1 546 . 1 1 1 A 67 67 VAL H H 64 7.795 8.159 -0.364 1
1 547 . 1 1 1 A 67 67 VAL HA H 64 3.826 4.267 -0.441 1
1 555 . 1 1 1 A 67 67 VAL C C 64 178.078 177.854 0.224 1
1 556 . 1 1 1 A 67 67 VAL CA C 64 66.262 65.800 0.462 1
1 557 . 1 1 1 A 67 67 VAL CB C 64 31.703 31.160 0.543 1
1 560 . 1 1 1 A 67 67 VAL N N 64 120.422 117.008 3.414 1
1 561 . 1 1 1 A 68 68 LEU H H 65 8.563 8.250 0.313 1
1 562 . 1 1 1 A 68 68 LEU HA H 65 3.897 3.981 -0.084 1
1 572 . 1 1 1 A 68 68 LEU C C 65 180.593 178.365 2.228 1
1 573 . 1 1 1 A 68 68 LEU CA C 65 58.495 58.635 -0.140 1
1 574 . 1 1 1 A 68 68 LEU CB C 65 41.633 41.301 0.332 1
1 578 . 1 1 1 A 68 68 LEU N N 65 119.314 124.964 -5.650 1
1 579 . 1 1 1 A 69 69 GLU H H 66 8.071 7.861 0.210 1
1 580 . 1 1 1 A 69 69 GLU HA H 66 3.947 4.022 -0.075 1
1 585 . 1 1 1 A 69 69 GLU C C 66 178.591 178.367 0.224 1
1 586 . 1 1 1 A 69 69 GLU CA C 66 59.727 59.129 0.598 1
1 587 . 1 1 1 A 69 69 GLU CB C 66 29.549 29.138 0.411 1
1 589 . 1 1 1 A 69 69 GLU N N 66 120.124 118.675 1.449 1
1 590 . 1 1 1 A 70 70 GLU H H 67 7.471 8.020 -0.549 1
1 591 . 1 1 1 A 70 70 GLU HA H 67 4.111 4.089 0.022 1
1 596 . 1 1 1 A 70 70 GLU C C 67 179.873 178.226 1.647 1
1 597 . 1 1 1 A 70 70 GLU CA C 67 59.439 59.247 0.192 1
1 598 . 1 1 1 A 70 70 GLU CB C 67 30.021 29.327 0.694 1
1 600 . 1 1 1 A 70 70 GLU N N 67 119.545 117.676 1.869 1
1 601 . 1 1 1 A 71 71 VAL H H 68 8.790 7.493 1.297 1
1 602 . 1 1 1 A 71 71 VAL HA H 68 4.137 3.884 0.253 1
1 610 . 1 1 1 A 71 71 VAL C C 68 178.818 178.277 0.541 1
1 611 . 1 1 1 A 71 71 VAL CA C 68 64.321 65.532 -1.211 1
1 612 . 1 1 1 A 71 71 VAL CB C 68 31.230 31.523 -0.293 1
1 615 . 1 1 1 A 71 71 VAL N N 68 111.497 116.544 -5.047 1
1 616 . 1 1 1 A 72 72 THR H H 69 8.231 8.435 -0.204 1
1 617 . 1 1 1 A 72 72 THR HA H 69 4.161 4.398 -0.237 1
1 622 . 1 1 1 A 72 72 THR C C 69 177.502 175.891 1.611 1
1 623 . 1 1 1 A 72 72 THR CA C 69 66.179 64.838 1.341 1
1 624 . 1 1 1 A 72 72 THR CB C 69 68.770 68.624 0.146 1
1 626 . 1 1 1 A 72 72 THR N N 69 118.078 116.693 1.385 1
1 627 . 1 1 1 A 73 73 ALA H H 70 7.177 8.215 -1.038 1
1 628 . 1 1 1 A 73 73 ALA HA H 70 4.139 4.154 -0.015 1
1 632 . 1 1 1 A 73 73 ALA C C 70 179.116 179.418 -0.302 1
1 633 . 1 1 1 A 73 73 ALA CA C 70 54.690 54.184 0.506 1
1 634 . 1 1 1 A 73 73 ALA CB C 70 18.039 18.638 -0.599 1
1 635 . 1 1 1 A 73 73 ALA N N 70 123.757 123.548 0.209 1
1 636 . 1 1 1 A 74 74 ILE H H 71 6.874 7.302 -0.428 1
1 637 . 1 1 1 A 74 74 ILE HA H 71 3.988 4.070 -0.082 1
1 647 . 1 1 1 A 74 74 ILE C C 71 176.201 175.930 0.271 1
1 648 . 1 1 1 A 74 74 ILE CA C 71 61.927 62.108 -0.181 1
1 649 . 1 1 1 A 74 74 ILE CB C 71 38.431 38.709 -0.278 1
1 653 . 1 1 1 A 74 74 ILE N N 71 113.131 115.459 -2.328 1
1 654 . 1 1 1 A 75 75 GLY H H 72 7.476 7.818 -0.342 1
1 655 . 1 1 1 A 75 75 GLY HA2 H 72 3.663 3.850 -0.187 1
1 656 . 1 1 1 A 75 75 GLY HA3 H 72 4.166 3.966 0.200 1
1 657 . 1 1 1 A 75 75 GLY C C 72 174.832 173.736 1.096 1
1 658 . 1 1 1 A 75 75 GLY CA C 72 45.144 44.777 0.367 1
1 659 . 1 1 1 A 75 75 GLY N N 72 106.405 108.096 -1.691 1
1 660 . 1 1 1 A 76 76 TYR H H 73 7.340 7.680 -0.340 1
1 661 . 1 1 1 A 76 76 TYR HA H 73 5.184 4.684 0.500 1
1 668 . 1 1 1 A 76 76 TYR C C 73 173.889 174.011 -0.122 1
1 669 . 1 1 1 A 76 76 TYR CA C 73 52.922 55.705 -2.783 1
1 670 . 1 1 1 A 76 76 TYR CB C 73 36.723 39.270 -2.547 1
1 675 . 1 1 1 A 76 76 TYR N N 73 122.416 120.033 2.383 1
1 676 . 1 1 1 A 77 77 PRO HA H 74 4.394 4.505 -0.111 1
1 683 . 1 1 1 A 77 77 PRO C C 74 175.722 176.312 -0.590 1
1 684 . 1 1 1 A 77 77 PRO CA C 74 63.242 63.174 0.068 1
1 685 . 1 1 1 A 77 77 PRO CB C 74 32.460 32.141 0.319 1
1 688 . 1 1 1 A 78 78 ALA H H 75 7.778 8.394 -0.616 1
1 689 . 1 1 1 A 78 78 ALA HA H 75 5.239 5.242 -0.003 1
1 693 . 1 1 1 A 78 78 ALA C C 75 176.207 175.558 0.649 1
1 694 . 1 1 1 A 78 78 ALA CA C 75 51.422 50.728 0.694 1
1 695 . 1 1 1 A 78 78 ALA CB C 75 25.258 24.284 0.974 1
1 696 . 1 1 1 A 78 78 ALA N N 75 122.638 122.714 -0.076 1
1 697 . 1 1 1 A 79 79 LYS H H 76 9.213 9.416 -0.203 1
1 698 . 1 1 1 A 79 79 LYS HA H 76 4.632 5.106 -0.474 1
1 707 . 1 1 1 A 79 79 LYS C C 76 173.669 175.090 -1.421 1
1 708 . 1 1 1 A 79 79 LYS CA C 76 55.912 54.698 1.214 1
1 709 . 1 1 1 A 79 79 LYS CB C 76 36.309 35.972 0.337 1
1 713 . 1 1 1 A 79 79 LYS N N 76 115.751 115.514 0.237 1
1 714 . 1 1 1 A 80 80 CYS H H 77 8.602 8.965 -0.363 1
1 715 . 1 1 1 A 80 80 CYS HA H 77 5.535 5.936 -0.401 1
1 718 . 1 1 1 A 80 80 CYS C C 77 174.029 172.734 1.295 1
1 719 . 1 1 1 A 80 80 CYS CA C 77 56.029 55.513 0.516 1
1 720 . 1 1 1 A 80 80 CYS CB C 77 47.796 43.676 4.120 1
1 721 . 1 1 1 A 80 80 CYS N N 77 119.633 117.963 1.670 1
1 722 . 1 1 1 A 81 81 CYS H H 78 9.428 8.923 0.505 1
1 723 . 1 1 1 A 81 81 CYS HA H 78 5.391 5.461 -0.070 1
1 726 . 1 1 1 A 81 81 CYS C C 78 173.980 172.414 1.566 1
1 727 . 1 1 1 A 81 81 CYS CA C 78 54.237 53.760 0.477 1
1 728 . 1 1 1 A 81 81 CYS CB C 78 47.557 45.601 1.956 1
1 729 . 1 1 1 A 81 81 CYS N N 78 120.091 122.617 -2.526 1
1 730 . 1 1 1 A 82 82 CYS H H 79 9.291 8.950 0.341 1
1 731 . 1 1 1 A 82 82 CYS HA H 79 5.134 5.360 -0.226 1
1 734 . 1 1 1 A 82 82 CYS C C 79 172.349 173.569 -1.220 1
1 735 . 1 1 1 A 82 82 CYS CA C 79 56.628 57.231 -0.603 1
1 736 . 1 1 1 A 82 82 CYS CB C 79 46.122 29.028 17.094 1
1 737 . 1 1 1 A 82 82 CYS N N 79 117.137 120.402 -3.265 1
1 738 . 1 1 1 A 83 83 GLU H H 80 7.283 8.601 -1.318 1
1 739 . 1 1 1 A 83 83 GLU HA H 80 4.625 4.643 -0.018 1
1 744 . 1 1 1 A 83 83 GLU C C 80 174.435 174.511 -0.076 1
1 745 . 1 1 1 A 83 83 GLU CA C 80 54.873 56.032 -1.159 1
1 746 . 1 1 1 A 83 83 GLU CB C 80 33.106 33.789 -0.683 1
1 748 . 1 1 1 A 83 83 GLU N N 80 120.821 123.824 -3.003 1
1 749 . 1 1 1 A 84 84 ASP H H 81 8.433 8.648 -0.215 1
1 750 . 1 1 1 A 84 84 ASP HA H 81 4.956 4.380 0.576 1
1 753 . 1 1 1 A 84 84 ASP C C 81 178.149 176.692 1.457 1
1 754 . 1 1 1 A 84 84 ASP CA C 81 55.409 55.087 0.322 1
1 755 . 1 1 1 A 84 84 ASP CB C 81 40.817 40.932 -0.115 1
1 756 . 1 1 1 A 84 84 ASP N N 81 121.789 124.052 -2.263 1
1 757 . 1 1 1 A 85 85 LEU H H 82 9.244 8.959 0.285 1
1 758 . 1 1 1 A 85 85 LEU HA H 82 3.308 3.444 -0.136 1
1 765 . 1 1 1 A 85 85 LEU C C 82 176.858 176.718 0.140 1
1 766 . 1 1 1 A 85 85 LEU CA C 82 56.047 56.166 -0.119 1
1 767 . 1 1 1 A 85 85 LEU CB C 82 36.885 39.066 -2.181 1
1 770 . 1 1 1 A 85 85 LEU N N 82 114.422 117.547 -3.125 1
1 771 . 1 1 1 A 86 86 CYS H H 83 8.005 7.783 0.222 1
1 772 . 1 1 1 A 86 86 CYS HA H 83 4.547 4.394 0.153 1
1 775 . 1 1 1 A 86 86 CYS C C 83 174.632 174.649 -0.017 1
1 776 . 1 1 1 A 86 86 CYS CA C 83 57.206 58.981 -1.775 1
1 777 . 1 1 1 A 86 86 CYS CB C 83 47.155 41.771 5.384 1
1 778 . 1 1 1 A 86 86 CYS N N 83 112.558 117.007 -4.449 1
1 779 . 1 1 1 A 87 87 ASN H H 84 8.859 8.041 0.818 1
1 780 . 1 1 1 A 87 87 ASN HA H 84 4.526 4.654 -0.128 1
1 783 . 1 1 1 A 87 87 ASN C C 84 172.146 174.932 -2.786 1
1 784 . 1 1 1 A 87 87 ASN CA C 84 52.617 52.907 -0.290 1
1 785 . 1 1 1 A 87 87 ASN CB C 84 36.673 37.635 -0.962 1
1 786 . 1 1 1 A 87 87 ASN N N 84 119.985 114.764 5.221 1
1 787 . 1 1 1 A 88 88 ARG H H 85 7.353 8.161 -0.808 1
1 788 . 1 1 1 A 88 88 ARG HA H 85 3.734 4.276 -0.542 1
1 795 . 1 1 1 A 88 88 ARG C C 85 173.901 174.020 -0.119 1
1 796 . 1 1 1 A 88 88 ARG CA C 85 55.058 54.414 0.644 1
1 797 . 1 1 1 A 88 88 ARG CB C 85 31.857 33.361 -1.504 1
1 800 . 1 1 1 A 88 88 ARG N N 85 118.446 121.314 -2.868 1
1 801 . 1 1 1 A 89 89 SER H H 86 7.987 8.554 -0.567 1
1 802 . 1 1 1 A 89 89 SER HA H 86 3.689 4.625 -0.936 1
1 805 . 1 1 1 A 89 89 SER C C 86 174.342 174.950 -0.608 1
1 806 . 1 1 1 A 89 89 SER CA C 86 57.844 59.258 -1.414 1
1 807 . 1 1 1 A 89 89 SER CB C 86 63.504 65.493 -1.989 1
1 808 . 1 1 1 A 89 89 SER N N 86 115.514 113.540 1.974 1
1 809 . 1 1 1 A 90 90 GLU H H 87 8.461 8.370 0.091 1
1 810 . 1 1 1 A 90 90 GLU HA H 87 4.125 4.252 -0.127 1
1 815 . 1 1 1 A 90 90 GLU C C 87 175.632 176.528 -0.896 1
1 816 . 1 1 1 A 90 90 GLU CA C 87 56.799 56.205 0.594 1
1 817 . 1 1 1 A 90 90 GLU CB C 87 30.049 29.158 0.891 1
1 819 . 1 1 1 A 90 90 GLU N N 87 122.917 118.193 4.724 1
1 16 . 2 1 1 A 22 22 ALA H H 19 8.052 8.350 -0.298 1
1 17 . 2 1 1 A 22 22 ALA HA H 19 4.191 4.551 -0.360 1
1 21 . 2 1 1 A 22 22 ALA C C 19 176.151 176.248 -0.097 1
1 22 . 2 1 1 A 22 22 ALA CA C 19 51.960 51.604 0.356 1
1 23 . 2 1 1 A 22 22 ALA CB C 19 19.784 21.024 -1.240 1
1 24 . 2 1 1 A 22 22 ALA N N 19 125.891 128.091 -2.200 1
1 25 . 2 1 1 A 23 23 LEU H H 20 8.117 8.661 -0.544 1
1 26 . 2 1 1 A 23 23 LEU HA H 20 4.273 5.041 -0.768 1
1 36 . 2 1 1 A 23 23 LEU C C 20 174.307 174.578 -0.271 1
1 37 . 2 1 1 A 23 23 LEU CA C 20 54.838 53.750 1.088 1
1 38 . 2 1 1 A 23 23 LEU CB C 20 44.574 46.573 -1.999 1
1 42 . 2 1 1 A 23 23 LEU N N 20 125.488 120.013 5.475 1
1 43 . 2 1 1 A 24 24 LYS H H 21 7.915 8.127 -0.212 1
1 44 . 2 1 1 A 24 24 LYS HA H 21 5.287 5.172 0.115 1
1 53 . 2 1 1 A 24 24 LYS C C 21 175.901 175.223 0.678 1
1 54 . 2 1 1 A 24 24 LYS CA C 21 54.174 55.431 -1.257 1
1 55 . 2 1 1 A 24 24 LYS CB C 21 34.841 32.543 2.298 1
1 59 . 2 1 1 A 24 24 LYS N N 21 122.369 123.872 -1.503 1
1 60 . 2 1 1 A 25 25 CYS H H 22 8.426 8.228 0.198 1
1 61 . 2 1 1 A 25 25 CYS HA H 22 4.886 5.141 -0.255 1
1 64 . 2 1 1 A 25 25 CYS C C 22 175.309 173.717 1.592 1
1 65 . 2 1 1 A 25 25 CYS CA C 22 51.680 55.053 -3.373 1
1 66 . 2 1 1 A 25 25 CYS CB C 22 41.829 44.146 -2.317 1
1 67 . 2 1 1 A 25 25 CYS N N 22 117.505 123.015 -5.510 1
1 68 . 2 1 1 A 26 26 PHE H H 23 8.960 8.458 0.502 1
1 69 . 2 1 1 A 26 26 PHE HA H 23 5.057 4.669 0.388 1
1 74 . 2 1 1 A 26 26 PHE C C 23 176.694 175.940 0.754 1
1 75 . 2 1 1 A 26 26 PHE CA C 23 60.302 59.860 0.442 1
1 76 . 2 1 1 A 26 26 PHE CB C 23 39.490 39.496 -0.006 1
1 79 . 2 1 1 A 26 26 PHE N N 23 120.038 123.002 -2.964 1
1 80 . 2 1 1 A 27 27 THR H H 24 9.071 9.462 -0.391 1
1 81 . 2 1 1 A 27 27 THR HA H 24 4.960 4.870 0.090 1
1 86 . 2 1 1 A 27 27 THR C C 24 173.722 173.671 0.051 1
1 87 . 2 1 1 A 27 27 THR CA C 24 59.835 61.171 -1.336 1
1 88 . 2 1 1 A 27 27 THR CB C 24 71.382 71.256 0.126 1
1 90 . 2 1 1 A 27 27 THR N N 24 114.266 118.919 -4.653 1
1 91 . 2 1 1 A 28 28 ARG H H 25 8.398 8.289 0.109 1
1 92 . 2 1 1 A 28 28 ARG HA H 25 5.158 5.136 0.022 1
1 99 . 2 1 1 A 28 28 ARG C C 25 175.547 174.193 1.354 1
1 100 . 2 1 1 A 28 28 ARG CA C 25 54.586 54.498 0.088 1
1 101 . 2 1 1 A 28 28 ARG CB C 25 32.443 32.166 0.277 1
1 104 . 2 1 1 A 28 28 ARG N N 25 123.189 122.569 0.620 1
1 105 . 2 1 1 A 29 29 ASN H H 26 8.589 8.449 0.140 1
1 106 . 2 1 1 A 29 29 ASN HA H 26 4.938 5.062 -0.124 1
1 109 . 2 1 1 A 29 29 ASN C C 26 175.273 175.660 -0.387 1
1 110 . 2 1 1 A 29 29 ASN CA C 26 52.276 51.932 0.344 1
1 111 . 2 1 1 A 29 29 ASN CB C 26 39.660 40.003 -0.343 1
1 112 . 2 1 1 A 29 29 ASN N N 26 125.242 123.323 1.919 1
1 113 . 2 1 1 A 30 30 GLY H H 27 9.046 8.892 0.154 1
1 114 . 2 1 1 A 30 30 GLY HA2 H 27 3.649 3.852 -0.203 1
1 115 . 2 1 1 A 30 30 GLY HA3 H 27 3.996 3.853 0.143 1
1 116 . 2 1 1 A 30 30 GLY C C 27 174.707 174.404 0.303 1
1 117 . 2 1 1 A 30 30 GLY CA C 27 46.906 47.289 -0.383 1
1 118 . 2 1 1 A 30 30 GLY N N 27 115.613 115.852 -0.239 1
1 119 . 2 1 1 A 31 31 ASP H H 28 8.956 8.579 0.377 1
1 120 . 2 1 1 A 31 31 ASP HA H 28 4.648 4.831 -0.183 1
1 123 . 2 1 1 A 31 31 ASP C C 28 175.670 175.246 0.424 1
1 124 . 2 1 1 A 31 31 ASP CA C 28 54.939 53.564 1.375 1
1 125 . 2 1 1 A 31 31 ASP CB C 28 41.505 42.452 -0.947 1
1 126 . 2 1 1 A 31 31 ASP N N 28 126.791 126.329 0.462 1
1 127 . 2 1 1 A 32 32 ASP H H 29 7.973 7.663 0.310 1
1 128 . 2 1 1 A 32 32 ASP HA H 29 4.778 4.637 0.141 1
1 131 . 2 1 1 A 32 32 ASP C C 29 174.871 175.913 -1.042 1
1 132 . 2 1 1 A 32 32 ASP CA C 29 54.192 53.627 0.565 1
1 133 . 2 1 1 A 32 32 ASP CB C 29 42.663 41.830 0.833 1
1 134 . 2 1 1 A 32 32 ASP N N 29 120.240 117.958 2.282 1
1 135 . 2 1 1 A 33 33 ARG H H 30 8.682 8.495 0.187 1
1 136 . 2 1 1 A 33 33 ARG HA H 30 5.020 4.910 0.110 1
1 143 . 2 1 1 A 33 33 ARG C C 30 175.569 175.282 0.287 1
1 144 . 2 1 1 A 33 33 ARG CA C 30 55.487 54.595 0.892 1
1 145 . 2 1 1 A 33 33 ARG CB C 30 31.962 32.554 -0.592 1
1 148 . 2 1 1 A 33 33 ARG N N 30 125.183 121.869 3.314 1
1 149 . 2 1 1 A 34 34 THR H H 31 8.976 9.374 -0.398 1
1 150 . 2 1 1 A 34 34 THR HA H 31 4.764 4.947 -0.183 1
1 155 . 2 1 1 A 34 34 THR C C 31 172.745 173.844 -1.099 1
1 156 . 2 1 1 A 34 34 THR CA C 31 59.891 62.093 -2.202 1
1 157 . 2 1 1 A 34 34 THR CB C 31 71.522 69.866 1.656 1
1 159 . 2 1 1 A 34 34 THR N N 31 120.162 118.168 1.994 1
1 160 . 2 1 1 A 35 35 VAL H H 32 8.286 8.883 -0.597 1
1 161 . 2 1 1 A 35 35 VAL HA H 32 4.110 4.382 -0.272 1
1 169 . 2 1 1 A 35 35 VAL C C 32 175.720 175.626 0.094 1
1 170 . 2 1 1 A 35 35 VAL CA C 32 62.838 62.910 -0.072 1
1 171 . 2 1 1 A 35 35 VAL CB C 32 32.883 31.181 1.702 1
1 174 . 2 1 1 A 35 35 VAL N N 32 122.209 127.780 -5.571 1
1 175 . 2 1 1 A 36 36 THR H H 33 8.749 8.941 -0.192 1
1 176 . 2 1 1 A 36 36 THR HA H 33 4.486 5.247 -0.761 1
1 181 . 2 1 1 A 36 36 THR C C 33 173.029 172.644 0.385 1
1 182 . 2 1 1 A 36 36 THR CA C 33 61.029 59.836 1.193 1
1 183 . 2 1 1 A 36 36 THR CB C 33 71.425 71.947 -0.522 1
1 185 . 2 1 1 A 36 36 THR N N 33 125.259 117.946 7.313 1
1 186 . 2 1 1 A 37 37 THR H H 34 8.544 8.688 -0.144 1
1 187 . 2 1 1 A 37 37 THR HA H 34 4.371 4.570 -0.199 1
1 192 . 2 1 1 A 37 37 THR C C 34 173.839 173.936 -0.097 1
1 193 . 2 1 1 A 37 37 THR CA C 34 62.892 61.380 1.512 1
1 194 . 2 1 1 A 37 37 THR CB C 34 68.156 69.150 -0.994 1
1 196 . 2 1 1 A 37 37 THR N N 34 122.774 118.708 4.066 1
1 197 . 2 1 1 A 38 38 CYS H H 35 9.227 8.535 0.692 1
1 198 . 2 1 1 A 38 38 CYS HA H 35 4.516 4.523 -0.007 1
1 201 . 2 1 1 A 38 38 CYS C C 35 174.923 173.331 1.592 1
1 202 . 2 1 1 A 38 38 CYS CA C 35 52.962 55.105 -2.143 1
1 203 . 2 1 1 A 38 38 CYS CB C 35 37.439 44.329 -6.890 1
1 204 . 2 1 1 A 38 38 CYS N N 35 129.056 128.533 0.523 1
1 205 . 2 1 1 A 39 39 ALA H H 36 8.113 8.462 -0.349 1
1 206 . 2 1 1 A 39 39 ALA HA H 36 4.313 4.571 -0.258 1
1 210 . 2 1 1 A 39 39 ALA C C 36 178.809 178.559 0.250 1
1 211 . 2 1 1 A 39 39 ALA CA C 36 52.125 51.464 0.661 1
1 212 . 2 1 1 A 39 39 ALA CB C 36 19.235 20.713 -1.478 1
1 213 . 2 1 1 A 39 39 ALA N N 36 122.621 124.733 -2.112 1
1 214 . 2 1 1 A 40 40 GLU H H 37 8.701 8.904 -0.203 1
1 215 . 2 1 1 A 40 40 GLU HA H 37 3.826 4.030 -0.204 1
1 220 . 2 1 1 A 40 40 GLU C C 37 177.999 178.833 -0.834 1
1 221 . 2 1 1 A 40 40 GLU CA C 37 60.104 59.194 0.910 1
1 222 . 2 1 1 A 40 40 GLU CB C 37 29.712 29.217 0.495 1
1 224 . 2 1 1 A 40 40 GLU N N 37 120.905 118.929 1.976 1
1 225 . 2 1 1 A 41 41 GLU H H 38 8.870 7.941 0.929 1
1 226 . 2 1 1 A 41 41 GLU HA H 38 4.233 4.090 0.143 1
1 231 . 2 1 1 A 41 41 GLU C C 38 176.790 176.313 0.477 1
1 232 . 2 1 1 A 41 41 GLU CA C 38 57.438 59.106 -1.668 1
1 233 . 2 1 1 A 41 41 GLU CB C 38 28.813 29.721 -0.908 1
1 235 . 2 1 1 A 41 41 GLU N N 38 113.838 119.149 -5.311 1
1 236 . 2 1 1 A 42 42 GLN H H 39 7.935 7.934 0.001 1
1 237 . 2 1 1 A 42 42 GLN HA H 39 4.069 4.672 -0.603 1
1 242 . 2 1 1 A 42 42 GLN C C 39 174.033 176.097 -2.064 1
1 243 . 2 1 1 A 42 42 GLN CA C 39 55.177 55.375 -0.198 1
1 244 . 2 1 1 A 42 42 GLN CB C 39 28.144 29.696 -1.552 1
1 246 . 2 1 1 A 42 42 GLN N N 39 120.919 118.144 2.775 1
1 247 . 2 1 1 A 43 43 THR H H 40 6.846 8.775 -1.929 1
1 248 . 2 1 1 A 43 43 THR HA H 40 4.340 4.732 -0.392 1
1 253 . 2 1 1 A 43 43 THR C C 40 175.221 173.908 1.313 1
1 254 . 2 1 1 A 43 43 THR CA C 40 60.677 60.766 -0.089 1
1 255 . 2 1 1 A 43 43 THR CB C 40 68.516 70.045 -1.529 1
1 257 . 2 1 1 A 43 43 THR N N 40 109.859 114.505 -4.646 1
1 258 . 2 1 1 A 44 44 ARG H H 41 8.496 7.534 0.962 1
1 259 . 2 1 1 A 44 44 ARG HA H 41 5.001 4.691 0.310 1
1 266 . 2 1 1 A 44 44 ARG C C 41 174.082 173.726 0.356 1
1 267 . 2 1 1 A 44 44 ARG CA C 41 52.838 54.433 -1.595 1
1 268 . 2 1 1 A 44 44 ARG CB C 41 34.466 33.782 0.684 1
1 271 . 2 1 1 A 44 44 ARG N N 41 122.000 122.182 -0.182 1
1 272 . 2 1 1 A 45 45 CYS H H 42 8.814 8.933 -0.119 1
1 273 . 2 1 1 A 45 45 CYS HA H 42 5.566 5.395 0.171 1
1 276 . 2 1 1 A 45 45 CYS C C 42 173.806 171.677 2.129 1
1 277 . 2 1 1 A 45 45 CYS CA C 42 51.956 54.789 -2.833 1
1 278 . 2 1 1 A 45 45 CYS CB C 42 38.526 46.398 -7.872 1
1 279 . 2 1 1 A 45 45 CYS N N 42 115.378 120.340 -4.962 1
1 280 . 2 1 1 A 46 46 LEU H H 43 9.234 9.480 -0.246 1
1 281 . 2 1 1 A 46 46 LEU HA H 43 5.382 5.111 0.271 1
1 291 . 2 1 1 A 46 46 LEU C C 43 176.639 174.995 1.644 1
1 292 . 2 1 1 A 46 46 LEU CA C 43 53.739 53.472 0.267 1
1 293 . 2 1 1 A 46 46 LEU CB C 43 46.024 44.746 1.278 1
1 297 . 2 1 1 A 46 46 LEU N N 43 122.940 126.348 -3.408 1
1 298 . 2 1 1 A 47 47 PHE H H 44 9.048 9.010 0.038 1
1 299 . 2 1 1 A 47 47 PHE HA H 44 5.700 6.006 -0.306 1
1 306 . 2 1 1 A 47 47 PHE C C 44 173.708 173.685 0.023 1
1 307 . 2 1 1 A 47 47 PHE CA C 44 56.494 55.773 0.721 1
1 308 . 2 1 1 A 47 47 PHE CB C 44 44.246 41.779 2.467 1
1 313 . 2 1 1 A 47 47 PHE N N 44 128.522 127.832 0.690 1
1 314 . 2 1 1 A 48 48 VAL H H 45 8.086 8.787 -0.701 1
1 315 . 2 1 1 A 48 48 VAL HA H 45 4.234 4.401 -0.167 1
1 323 . 2 1 1 A 48 48 VAL C C 45 173.728 175.069 -1.341 1
1 324 . 2 1 1 A 48 48 VAL CA C 45 61.110 60.672 0.438 1
1 325 . 2 1 1 A 48 48 VAL CB C 45 36.121 33.596 2.525 1
1 328 . 2 1 1 A 48 48 VAL N N 45 124.455 127.565 -3.110 1
1 329 . 2 1 1 A 49 49 GLN H H 46 8.391 8.812 -0.421 1
1 330 . 2 1 1 A 49 49 GLN HA H 46 4.155 4.268 -0.113 1
1 335 . 2 1 1 A 49 49 GLN C C 46 174.214 175.631 -1.417 1
1 336 . 2 1 1 A 49 49 GLN CA C 46 54.491 55.921 -1.430 1
1 337 . 2 1 1 A 49 49 GLN CB C 46 29.986 29.064 0.922 1
1 339 . 2 1 1 A 49 49 GLN N N 46 126.537 126.227 0.310 1
1 340 . 2 1 1 A 50 50 LEU H H 47 7.646 8.233 -0.587 1
1 341 . 2 1 1 A 50 50 LEU HA H 47 3.856 4.803 -0.947 1
1 351 . 2 1 1 A 50 50 LEU C C 47 175.649 176.646 -0.997 1
1 352 . 2 1 1 A 50 50 LEU CA C 47 53.706 51.239 2.467 1
1 353 . 2 1 1 A 50 50 LEU CB C 47 39.821 45.359 -5.538 1
1 357 . 2 1 1 A 50 50 LEU N N 47 127.637 124.874 2.763 1
1 358 . 2 1 1 A 51 51 PRO HA H 48 3.921 4.487 -0.566 1
1 365 . 2 1 1 A 51 51 PRO C C 48 177.492 175.784 1.708 1
1 366 . 2 1 1 A 51 51 PRO CA C 48 65.923 63.491 2.432 1
1 367 . 2 1 1 A 51 51 PRO CB C 48 31.509 32.401 -0.892 1
1 370 . 2 1 1 A 52 52 TYR H H 49 7.517 7.824 -0.307 1
1 371 . 2 1 1 A 52 52 TYR HA H 49 4.790 4.648 0.142 1
1 378 . 2 1 1 A 52 52 TYR C C 49 175.214 175.598 -0.384 1
1 379 . 2 1 1 A 52 52 TYR CA C 49 55.767 59.263 -3.496 1
1 380 . 2 1 1 A 52 52 TYR CB C 49 39.277 40.574 -1.297 1
1 385 . 2 1 1 A 52 52 TYR N N 49 109.643 117.777 -8.134 1
1 386 . 2 1 1 A 53 53 SER H H 50 6.986 7.825 -0.839 1
1 387 . 2 1 1 A 53 53 SER HA H 50 4.409 5.032 -0.623 1
1 390 . 2 1 1 A 53 53 SER C C 50 171.925 173.306 -1.381 1
1 391 . 2 1 1 A 53 53 SER CA C 50 57.189 57.712 -0.523 1
1 392 . 2 1 1 A 53 53 SER CB C 50 63.786 66.564 -2.778 1
1 393 . 2 1 1 A 53 53 SER N N 50 112.994 111.787 1.207 1
1 394 . 2 1 1 A 54 54 GLU H H 51 7.890 8.720 -0.830 1
1 395 . 2 1 1 A 54 54 GLU HA H 51 4.903 4.431 0.472 1
1 400 . 2 1 1 A 54 54 GLU C C 51 175.536 176.623 -1.087 1
1 401 . 2 1 1 A 54 54 GLU CA C 51 54.722 57.058 -2.336 1
1 402 . 2 1 1 A 54 54 GLU CB C 51 33.225 30.630 2.595 1
1 404 . 2 1 1 A 54 54 GLU N N 51 115.330 124.428 -9.098 1
1 405 . 2 1 1 A 55 55 ILE H H 52 8.600 8.134 0.466 1
1 406 . 2 1 1 A 55 55 ILE HA H 52 4.302 4.637 -0.335 1
1 416 . 2 1 1 A 55 55 ILE C C 52 175.783 175.527 0.256 1
1 417 . 2 1 1 A 55 55 ILE CA C 52 60.360 60.465 -0.105 1
1 418 . 2 1 1 A 55 55 ILE CB C 52 39.228 38.017 1.211 1
1 422 . 2 1 1 A 55 55 ILE N N 52 122.129 123.306 -1.177 1
1 423 . 2 1 1 A 56 56 GLN H H 53 8.573 8.689 -0.116 1
1 424 . 2 1 1 A 56 56 GLN HA H 53 5.394 5.942 -0.548 1
1 429 . 2 1 1 A 56 56 GLN C C 53 174.379 174.631 -0.252 1
1 430 . 2 1 1 A 56 56 GLN CA C 53 54.790 54.590 0.200 1
1 431 . 2 1 1 A 56 56 GLN CB C 53 33.315 32.092 1.223 1
1 433 . 2 1 1 A 56 56 GLN N N 53 126.768 126.381 0.387 1
1 434 . 2 1 1 A 57 57 GLU H H 54 7.782 8.546 -0.764 1
1 435 . 2 1 1 A 57 57 GLU HA H 54 4.967 4.834 0.133 1
1 440 . 2 1 1 A 57 57 GLU C C 54 176.345 174.269 2.076 1
1 441 . 2 1 1 A 57 57 GLU CA C 54 55.405 55.324 0.081 1
1 442 . 2 1 1 A 57 57 GLU CB C 54 36.080 32.040 4.040 1
1 444 . 2 1 1 A 57 57 GLU N N 54 117.990 120.266 -2.276 1
1 445 . 2 1 1 A 58 58 CYS H H 55 8.780 8.602 0.178 1
1 446 . 2 1 1 A 58 58 CYS HA H 55 5.145 5.113 0.032 1
1 449 . 2 1 1 A 58 58 CYS C C 55 175.293 173.486 1.807 1
1 450 . 2 1 1 A 58 58 CYS CA C 55 57.749 55.227 2.522 1
1 451 . 2 1 1 A 58 58 CYS CB C 55 45.523 43.758 1.765 1
1 452 . 2 1 1 A 58 58 CYS N N 55 119.662 118.747 0.915 1
1 453 . 2 1 1 A 59 59 LYS H H 56 9.277 8.785 0.492 1
1 454 . 2 1 1 A 59 59 LYS HA H 56 4.896 4.824 0.072 1
1 463 . 2 1 1 A 59 59 LYS C C 56 176.049 176.119 -0.070 1
1 464 . 2 1 1 A 59 59 LYS CA C 56 53.903 54.768 -0.865 1
1 465 . 2 1 1 A 59 59 LYS CB C 56 40.637 36.794 3.843 1
1 469 . 2 1 1 A 59 59 LYS N N 56 120.535 123.388 -2.853 1
1 470 . 2 1 1 A 60 60 THR H H 57 7.997 8.815 -0.818 1
1 471 . 2 1 1 A 60 60 THR HA H 57 4.876 4.500 0.376 1
1 476 . 2 1 1 A 60 60 THR C C 57 175.637 176.367 -0.730 1
1 477 . 2 1 1 A 60 60 THR CA C 57 61.017 61.254 -0.237 1
1 478 . 2 1 1 A 60 60 THR CB C 57 70.774 70.614 0.160 1
1 480 . 2 1 1 A 60 60 THR N N 57 108.910 113.470 -4.560 1
1 481 . 2 1 1 A 61 61 VAL H H 58 8.689 8.355 0.334 1
1 482 . 2 1 1 A 61 61 VAL HA H 58 3.477 3.645 -0.168 1
1 490 . 2 1 1 A 61 61 VAL C C 58 178.541 177.552 0.989 1
1 491 . 2 1 1 A 61 61 VAL CA C 58 67.024 67.178 -0.154 1
1 492 . 2 1 1 A 61 61 VAL CB C 58 31.751 31.831 -0.080 1
1 495 . 2 1 1 A 61 61 VAL N N 58 121.313 122.614 -1.301 1
1 496 . 2 1 1 A 62 62 GLN H H 59 8.564 7.595 0.969 1
1 497 . 2 1 1 A 62 62 GLN HA H 59 4.062 3.993 0.069 1
1 502 . 2 1 1 A 62 62 GLN C C 59 178.871 178.141 0.730 1
1 503 . 2 1 1 A 62 62 GLN CA C 59 58.993 59.137 -0.144 1
1 504 . 2 1 1 A 62 62 GLN CB C 59 28.085 28.497 -0.412 1
1 506 . 2 1 1 A 62 62 GLN N N 59 119.395 119.470 -0.075 1
1 507 . 2 1 1 A 63 63 GLN H H 60 7.644 8.504 -0.860 1
1 508 . 2 1 1 A 63 63 GLN HA H 60 4.082 3.981 0.101 1
1 513 . 2 1 1 A 63 63 GLN C C 60 179.023 178.106 0.917 1
1 514 . 2 1 1 A 63 63 GLN CA C 60 58.106 58.965 -0.859 1
1 515 . 2 1 1 A 63 63 GLN CB C 60 29.283 28.311 0.972 1
1 517 . 2 1 1 A 63 63 GLN N N 60 116.638 117.991 -1.353 1
1 518 . 2 1 1 A 64 64 CYS H H 61 8.543 8.213 0.330 1
1 519 . 2 1 1 A 64 64 CYS HA H 61 3.951 4.376 -0.425 1
1 522 . 2 1 1 A 64 64 CYS C C 61 176.171 175.992 0.179 1
1 523 . 2 1 1 A 64 64 CYS CA C 61 64.735 58.897 5.838 1
1 524 . 2 1 1 A 64 64 CYS CB C 61 40.828 42.066 -1.238 1
1 525 . 2 1 1 A 64 64 CYS N N 61 118.614 118.199 0.415 1
1 526 . 2 1 1 A 65 65 ALA H H 62 7.791 8.045 -0.254 1
1 527 . 2 1 1 A 65 65 ALA HA H 62 4.021 3.990 0.031 1
1 531 . 2 1 1 A 65 65 ALA C C 62 180.353 179.512 0.841 1
1 532 . 2 1 1 A 65 65 ALA CA C 62 55.249 55.426 -0.177 1
1 533 . 2 1 1 A 65 65 ALA CB C 62 18.069 17.724 0.345 1
1 534 . 2 1 1 A 65 65 ALA N N 62 119.479 122.687 -3.208 1
1 535 . 2 1 1 A 66 66 GLU H H 63 7.685 8.478 -0.793 1
1 536 . 2 1 1 A 66 66 GLU HA H 63 4.041 4.080 -0.039 1
1 541 . 2 1 1 A 66 66 GLU C C 63 179.701 179.179 0.522 1
1 542 . 2 1 1 A 66 66 GLU CA C 63 59.440 59.530 -0.090 1
1 543 . 2 1 1 A 66 66 GLU CB C 63 29.735 29.334 0.401 1
1 545 . 2 1 1 A 66 66 GLU N N 63 117.981 118.467 -0.486 1
1 546 . 2 1 1 A 67 67 VAL H H 64 7.795 8.171 -0.376 1
1 547 . 2 1 1 A 67 67 VAL HA H 64 3.826 4.389 -0.563 1
1 555 . 2 1 1 A 67 67 VAL C C 64 178.078 177.961 0.117 1
1 556 . 2 1 1 A 67 67 VAL CA C 64 66.262 65.864 0.398 1
1 557 . 2 1 1 A 67 67 VAL CB C 64 31.703 31.183 0.520 1
1 560 . 2 1 1 A 67 67 VAL N N 64 120.422 116.611 3.811 1
1 561 . 2 1 1 A 68 68 LEU H H 65 8.563 8.285 0.278 1
1 562 . 2 1 1 A 68 68 LEU HA H 65 3.897 3.939 -0.042 1
1 572 . 2 1 1 A 68 68 LEU C C 65 180.593 178.394 2.199 1
1 573 . 2 1 1 A 68 68 LEU CA C 65 58.495 58.703 -0.208 1
1 574 . 2 1 1 A 68 68 LEU CB C 65 41.633 41.480 0.153 1
1 578 . 2 1 1 A 68 68 LEU N N 65 119.314 124.954 -5.640 1
1 579 . 2 1 1 A 69 69 GLU H H 66 8.071 7.881 0.190 1
1 580 . 2 1 1 A 69 69 GLU HA H 66 3.947 4.019 -0.072 1
1 585 . 2 1 1 A 69 69 GLU C C 66 178.591 178.410 0.181 1
1 586 . 2 1 1 A 69 69 GLU CA C 66 59.727 59.132 0.595 1
1 587 . 2 1 1 A 69 69 GLU CB C 66 29.549 29.176 0.373 1
1 589 . 2 1 1 A 69 69 GLU N N 66 120.124 118.685 1.439 1
1 590 . 2 1 1 A 70 70 GLU H H 67 7.471 8.020 -0.549 1
1 591 . 2 1 1 A 70 70 GLU HA H 67 4.111 4.103 0.008 1
1 596 . 2 1 1 A 70 70 GLU C C 67 179.873 178.228 1.645 1
1 597 . 2 1 1 A 70 70 GLU CA C 67 59.439 59.249 0.190 1
1 598 . 2 1 1 A 70 70 GLU CB C 67 30.021 29.331 0.690 1
1 600 . 2 1 1 A 70 70 GLU N N 67 119.545 117.772 1.773 1
1 601 . 2 1 1 A 71 71 VAL H H 68 8.790 7.505 1.285 1
1 602 . 2 1 1 A 71 71 VAL HA H 68 4.137 3.867 0.270 1
1 610 . 2 1 1 A 71 71 VAL C C 68 178.818 178.418 0.400 1
1 611 . 2 1 1 A 71 71 VAL CA C 68 64.321 65.543 -1.222 1
1 612 . 2 1 1 A 71 71 VAL CB C 68 31.230 31.574 -0.344 1
1 615 . 2 1 1 A 71 71 VAL N N 68 111.497 116.736 -5.239 1
1 616 . 2 1 1 A 72 72 THR H H 69 8.231 8.414 -0.183 1
1 617 . 2 1 1 A 72 72 THR HA H 69 4.161 4.113 0.048 1
1 622 . 2 1 1 A 72 72 THR C C 69 177.502 176.362 1.140 1
1 623 . 2 1 1 A 72 72 THR CA C 69 66.179 65.904 0.275 1
1 624 . 2 1 1 A 72 72 THR CB C 69 68.770 68.556 0.214 1
1 626 . 2 1 1 A 72 72 THR N N 69 118.078 116.728 1.350 1
1 627 . 2 1 1 A 73 73 ALA H H 70 7.177 8.395 -1.218 1
1 628 . 2 1 1 A 73 73 ALA HA H 70 4.139 4.178 -0.039 1
1 632 . 2 1 1 A 73 73 ALA C C 70 179.116 179.580 -0.464 1
1 633 . 2 1 1 A 73 73 ALA CA C 70 54.690 54.571 0.119 1
1 634 . 2 1 1 A 73 73 ALA CB C 70 18.039 18.320 -0.281 1
1 635 . 2 1 1 A 73 73 ALA N N 70 123.757 123.483 0.274 1
1 636 . 2 1 1 A 74 74 ILE H H 71 6.874 7.345 -0.471 1
1 637 . 2 1 1 A 74 74 ILE HA H 71 3.988 4.103 -0.115 1
1 647 . 2 1 1 A 74 74 ILE C C 71 176.201 176.019 0.182 1
1 648 . 2 1 1 A 74 74 ILE CA C 71 61.927 61.876 0.051 1
1 649 . 2 1 1 A 74 74 ILE CB C 71 38.431 38.709 -0.278 1
1 653 . 2 1 1 A 74 74 ILE N N 71 113.131 115.524 -2.393 1
1 654 . 2 1 1 A 75 75 GLY H H 72 7.476 7.877 -0.401 1
1 655 . 2 1 1 A 75 75 GLY HA2 H 72 3.663 3.826 -0.163 1
1 656 . 2 1 1 A 75 75 GLY HA3 H 72 4.166 3.932 0.234 1
1 657 . 2 1 1 A 75 75 GLY C C 72 174.832 173.830 1.002 1
1 658 . 2 1 1 A 75 75 GLY CA C 72 45.144 44.807 0.337 1
1 659 . 2 1 1 A 75 75 GLY N N 72 106.405 108.132 -1.727 1
1 660 . 2 1 1 A 76 76 TYR H H 73 7.340 7.887 -0.547 1
1 661 . 2 1 1 A 76 76 TYR HA H 73 5.184 4.702 0.482 1
1 668 . 2 1 1 A 76 76 TYR C C 73 173.889 174.060 -0.171 1
1 669 . 2 1 1 A 76 76 TYR CA C 73 52.922 55.902 -2.980 1
1 670 . 2 1 1 A 76 76 TYR CB C 73 36.723 38.830 -2.107 1
1 675 . 2 1 1 A 76 76 TYR N N 73 122.416 120.204 2.212 1
1 676 . 2 1 1 A 77 77 PRO HA H 74 4.394 4.391 0.003 1
1 683 . 2 1 1 A 77 77 PRO C C 74 175.722 176.082 -0.360 1
1 684 . 2 1 1 A 77 77 PRO CA C 74 63.242 63.197 0.045 1
1 685 . 2 1 1 A 77 77 PRO CB C 74 32.460 32.066 0.394 1
1 688 . 2 1 1 A 78 78 ALA H H 75 7.778 8.459 -0.681 1
1 689 . 2 1 1 A 78 78 ALA HA H 75 5.239 5.056 0.183 1
1 693 . 2 1 1 A 78 78 ALA C C 75 176.207 175.591 0.616 1
1 694 . 2 1 1 A 78 78 ALA CA C 75 51.422 50.595 0.827 1
1 695 . 2 1 1 A 78 78 ALA CB C 75 25.258 23.417 1.841 1
1 696 . 2 1 1 A 78 78 ALA N N 75 122.638 124.092 -1.454 1
1 697 . 2 1 1 A 79 79 LYS H H 76 9.213 9.470 -0.257 1
1 698 . 2 1 1 A 79 79 LYS HA H 76 4.632 5.067 -0.435 1
1 707 . 2 1 1 A 79 79 LYS C C 76 173.669 175.440 -1.771 1
1 708 . 2 1 1 A 79 79 LYS CA C 76 55.912 54.615 1.297 1
1 709 . 2 1 1 A 79 79 LYS CB C 76 36.309 34.911 1.398 1
1 713 . 2 1 1 A 79 79 LYS N N 76 115.751 119.151 -3.400 1
1 714 . 2 1 1 A 80 80 CYS H H 77 8.602 9.088 -0.486 1
1 715 . 2 1 1 A 80 80 CYS HA H 77 5.535 6.019 -0.484 1
1 718 . 2 1 1 A 80 80 CYS C C 77 174.029 172.633 1.396 1
1 719 . 2 1 1 A 80 80 CYS CA C 77 56.029 54.928 1.101 1
1 720 . 2 1 1 A 80 80 CYS CB C 77 47.796 43.008 4.788 1
1 721 . 2 1 1 A 80 80 CYS N N 77 119.633 121.735 -2.102 1
1 722 . 2 1 1 A 81 81 CYS H H 78 9.428 9.079 0.349 1
1 723 . 2 1 1 A 81 81 CYS HA H 78 5.391 5.547 -0.156 1
1 726 . 2 1 1 A 81 81 CYS C C 78 173.980 171.947 2.033 1
1 727 . 2 1 1 A 81 81 CYS CA C 78 54.237 53.856 0.381 1
1 728 . 2 1 1 A 81 81 CYS CB C 78 47.557 45.858 1.699 1
1 729 . 2 1 1 A 81 81 CYS N N 78 120.091 123.357 -3.266 1
1 730 . 2 1 1 A 82 82 CYS H H 79 9.291 8.896 0.395 1
1 731 . 2 1 1 A 82 82 CYS HA H 79 5.134 5.089 0.045 1
1 734 . 2 1 1 A 82 82 CYS C C 79 172.349 173.430 -1.081 1
1 735 . 2 1 1 A 82 82 CYS CA C 79 56.628 57.248 -0.620 1
1 736 . 2 1 1 A 82 82 CYS CB C 79 46.122 28.417 17.705 1
1 737 . 2 1 1 A 82 82 CYS N N 79 117.137 122.033 -4.896 1
1 738 . 2 1 1 A 83 83 GLU H H 80 7.283 8.547 -1.264 1
1 739 . 2 1 1 A 83 83 GLU HA H 80 4.625 4.624 0.001 1
1 744 . 2 1 1 A 83 83 GLU C C 80 174.435 174.454 -0.019 1
1 745 . 2 1 1 A 83 83 GLU CA C 80 54.873 55.836 -0.963 1
1 746 . 2 1 1 A 83 83 GLU CB C 80 33.106 34.041 -0.935 1
1 748 . 2 1 1 A 83 83 GLU N N 80 120.821 126.223 -5.402 1
1 749 . 2 1 1 A 84 84 ASP H H 81 8.433 8.672 -0.239 1
1 750 . 2 1 1 A 84 84 ASP HA H 81 4.956 4.393 0.563 1
1 753 . 2 1 1 A 84 84 ASP C C 81 178.149 176.636 1.513 1
1 754 . 2 1 1 A 84 84 ASP CA C 81 55.409 55.094 0.315 1
1 755 . 2 1 1 A 84 84 ASP CB C 81 40.817 40.920 -0.103 1
1 756 . 2 1 1 A 84 84 ASP N N 81 121.789 123.925 -2.136 1
1 757 . 2 1 1 A 85 85 LEU H H 82 9.244 9.138 0.106 1
1 758 . 2 1 1 A 85 85 LEU HA H 82 3.308 3.210 0.098 1
1 765 . 2 1 1 A 85 85 LEU C C 82 176.858 176.550 0.308 1
1 766 . 2 1 1 A 85 85 LEU CA C 82 56.047 55.834 0.213 1
1 767 . 2 1 1 A 85 85 LEU CB C 82 36.885 38.721 -1.836 1
1 770 . 2 1 1 A 85 85 LEU N N 82 114.422 117.899 -3.477 1
1 771 . 2 1 1 A 86 86 CYS H H 83 8.005 7.679 0.326 1
1 772 . 2 1 1 A 86 86 CYS HA H 83 4.547 4.330 0.217 1
1 775 . 2 1 1 A 86 86 CYS C C 83 174.632 174.573 0.059 1
1 776 . 2 1 1 A 86 86 CYS CA C 83 57.206 59.679 -2.473 1
1 777 . 2 1 1 A 86 86 CYS CB C 83 47.155 41.767 5.388 1
1 778 . 2 1 1 A 86 86 CYS N N 83 112.558 116.755 -4.197 1
1 779 . 2 1 1 A 87 87 ASN H H 84 8.859 7.917 0.942 1
1 780 . 2 1 1 A 87 87 ASN HA H 84 4.526 4.675 -0.149 1
1 783 . 2 1 1 A 87 87 ASN C C 84 172.146 175.026 -2.880 1
1 784 . 2 1 1 A 87 87 ASN CA C 84 52.617 52.773 -0.156 1
1 785 . 2 1 1 A 87 87 ASN CB C 84 36.673 37.734 -1.061 1
1 786 . 2 1 1 A 87 87 ASN N N 84 119.985 114.735 5.250 1
1 787 . 2 1 1 A 88 88 ARG H H 85 7.353 8.164 -0.811 1
1 788 . 2 1 1 A 88 88 ARG HA H 85 3.734 4.964 -1.230 1
1 795 . 2 1 1 A 88 88 ARG C C 85 173.901 174.719 -0.818 1
1 796 . 2 1 1 A 88 88 ARG CA C 85 55.058 54.103 0.955 1
1 797 . 2 1 1 A 88 88 ARG CB C 85 31.857 33.631 -1.774 1
1 800 . 2 1 1 A 88 88 ARG N N 85 118.446 121.819 -3.373 1
1 801 . 2 1 1 A 89 89 SER H H 86 7.987 8.693 -0.706 1
1 802 . 2 1 1 A 89 89 SER HA H 86 3.689 4.421 -0.732 1
1 805 . 2 1 1 A 89 89 SER C C 86 174.342 174.161 0.181 1
1 806 . 2 1 1 A 89 89 SER CA C 86 57.844 60.341 -2.497 1
1 807 . 2 1 1 A 89 89 SER CB C 86 63.504 63.278 0.226 1
1 808 . 2 1 1 A 89 89 SER N N 86 115.514 117.494 -1.980 1
1 809 . 2 1 1 A 90 90 GLU H H 87 8.461 9.267 -0.806 1
1 810 . 2 1 1 A 90 90 GLU HA H 87 4.125 4.365 -0.240 1
1 815 . 2 1 1 A 90 90 GLU C C 87 175.632 177.237 -1.605 1
1 816 . 2 1 1 A 90 90 GLU CA C 87 56.799 57.451 -0.652 1
1 817 . 2 1 1 A 90 90 GLU CB C 87 30.049 31.186 -1.137 1
1 819 . 2 1 1 A 90 90 GLU N N 87 122.917 127.498 -4.581 1
1 16 . 3 1 1 A 22 22 ALA H H 19 8.052 8.310 -0.258 1
1 17 . 3 1 1 A 22 22 ALA HA H 19 4.191 4.513 -0.322 1
1 21 . 3 1 1 A 22 22 ALA C C 19 176.151 177.417 -1.266 1
1 22 . 3 1 1 A 22 22 ALA CA C 19 51.960 52.578 -0.618 1
1 23 . 3 1 1 A 22 22 ALA CB C 19 19.784 19.013 0.771 1
1 24 . 3 1 1 A 22 22 ALA N N 19 125.891 127.379 -1.488 1
1 25 . 3 1 1 A 23 23 LEU H H 20 8.117 8.421 -0.304 1
1 26 . 3 1 1 A 23 23 LEU HA H 20 4.273 4.732 -0.459 1
1 36 . 3 1 1 A 23 23 LEU C C 20 174.307 176.206 -1.899 1
1 37 . 3 1 1 A 23 23 LEU CA C 20 54.838 53.597 1.241 1
1 38 . 3 1 1 A 23 23 LEU CB C 20 44.574 43.529 1.045 1
1 42 . 3 1 1 A 23 23 LEU N N 20 125.488 123.693 1.795 1
1 43 . 3 1 1 A 24 24 LYS H H 21 7.915 9.096 -1.181 1
1 44 . 3 1 1 A 24 24 LYS HA H 21 5.287 4.679 0.608 1
1 53 . 3 1 1 A 24 24 LYS C C 21 175.901 175.496 0.405 1
1 54 . 3 1 1 A 24 24 LYS CA C 21 54.174 55.992 -1.818 1
1 55 . 3 1 1 A 24 24 LYS CB C 21 34.841 32.579 2.262 1
1 59 . 3 1 1 A 24 24 LYS N N 21 122.369 123.478 -1.109 1
1 60 . 3 1 1 A 25 25 CYS H H 22 8.426 8.617 -0.191 1
1 61 . 3 1 1 A 25 25 CYS HA H 22 4.886 5.028 -0.142 1
1 64 . 3 1 1 A 25 25 CYS C C 22 175.309 172.604 2.705 1
1 65 . 3 1 1 A 25 25 CYS CA C 22 51.680 55.151 -3.471 1
1 66 . 3 1 1 A 25 25 CYS CB C 22 41.829 46.071 -4.242 1
1 67 . 3 1 1 A 25 25 CYS N N 22 117.505 121.957 -4.452 1
1 68 . 3 1 1 A 26 26 PHE H H 23 8.960 8.904 0.056 1
1 69 . 3 1 1 A 26 26 PHE HA H 23 5.057 5.504 -0.447 1
1 74 . 3 1 1 A 26 26 PHE C C 23 176.694 175.332 1.362 1
1 75 . 3 1 1 A 26 26 PHE CA C 23 60.302 57.238 3.064 1
1 76 . 3 1 1 A 26 26 PHE CB C 23 39.490 39.990 -0.500 1
1 79 . 3 1 1 A 26 26 PHE N N 23 120.038 122.315 -2.277 1
1 80 . 3 1 1 A 27 27 THR H H 24 9.071 9.074 -0.003 1
1 81 . 3 1 1 A 27 27 THR HA H 24 4.960 4.735 0.225 1
1 86 . 3 1 1 A 27 27 THR C C 24 173.722 173.157 0.565 1
1 87 . 3 1 1 A 27 27 THR CA C 24 59.835 61.350 -1.515 1
1 88 . 3 1 1 A 27 27 THR CB C 24 71.382 71.030 0.352 1
1 90 . 3 1 1 A 27 27 THR N N 24 114.266 118.753 -4.487 1
1 91 . 3 1 1 A 28 28 ARG H H 25 8.398 8.789 -0.391 1
1 92 . 3 1 1 A 28 28 ARG HA H 25 5.158 4.750 0.408 1
1 99 . 3 1 1 A 28 28 ARG C C 25 175.547 175.051 0.496 1
1 100 . 3 1 1 A 28 28 ARG CA C 25 54.586 56.182 -1.596 1
1 101 . 3 1 1 A 28 28 ARG CB C 25 32.443 30.887 1.556 1
1 104 . 3 1 1 A 28 28 ARG N N 25 123.189 127.610 -4.421 1
1 105 . 3 1 1 A 29 29 ASN H H 26 8.589 9.245 -0.656 1
1 106 . 3 1 1 A 29 29 ASN HA H 26 4.938 5.122 -0.184 1
1 109 . 3 1 1 A 29 29 ASN C C 26 175.273 175.608 -0.335 1
1 110 . 3 1 1 A 29 29 ASN CA C 26 52.276 51.889 0.387 1
1 111 . 3 1 1 A 29 29 ASN CB C 26 39.660 38.877 0.783 1
1 112 . 3 1 1 A 29 29 ASN N N 26 125.242 126.297 -1.055 1
1 113 . 3 1 1 A 30 30 GLY H H 27 9.046 8.890 0.156 1
1 114 . 3 1 1 A 30 30 GLY HA2 H 27 3.649 3.861 -0.212 1
1 115 . 3 1 1 A 30 30 GLY HA3 H 27 3.996 3.864 0.132 1
1 116 . 3 1 1 A 30 30 GLY C C 27 174.707 174.649 0.058 1
1 117 . 3 1 1 A 30 30 GLY CA C 27 46.906 47.300 -0.394 1
1 118 . 3 1 1 A 30 30 GLY N N 27 115.613 115.732 -0.119 1
1 119 . 3 1 1 A 31 31 ASP H H 28 8.956 8.570 0.386 1
1 120 . 3 1 1 A 31 31 ASP HA H 28 4.648 4.816 -0.168 1
1 123 . 3 1 1 A 31 31 ASP C C 28 175.670 176.161 -0.491 1
1 124 . 3 1 1 A 31 31 ASP CA C 28 54.939 54.367 0.572 1
1 125 . 3 1 1 A 31 31 ASP CB C 28 41.505 43.059 -1.554 1
1 126 . 3 1 1 A 31 31 ASP N N 28 126.791 126.421 0.370 1
1 127 . 3 1 1 A 32 32 ASP H H 29 7.973 7.818 0.155 1
1 128 . 3 1 1 A 32 32 ASP HA H 29 4.778 4.488 0.290 1
1 131 . 3 1 1 A 32 32 ASP C C 29 174.871 175.857 -0.986 1
1 132 . 3 1 1 A 32 32 ASP CA C 29 54.192 55.146 -0.954 1
1 133 . 3 1 1 A 32 32 ASP CB C 29 42.663 41.131 1.532 1
1 134 . 3 1 1 A 32 32 ASP N N 29 120.240 119.904 0.336 1
1 135 . 3 1 1 A 33 33 ARG H H 30 8.682 8.775 -0.093 1
1 136 . 3 1 1 A 33 33 ARG HA H 30 5.020 5.116 -0.096 1
1 143 . 3 1 1 A 33 33 ARG C C 30 175.569 174.946 0.623 1
1 144 . 3 1 1 A 33 33 ARG CA C 30 55.487 54.854 0.633 1
1 145 . 3 1 1 A 33 33 ARG CB C 30 31.962 31.899 0.063 1
1 148 . 3 1 1 A 33 33 ARG N N 30 125.183 123.606 1.577 1
1 149 . 3 1 1 A 34 34 THR H H 31 8.976 8.689 0.287 1
1 150 . 3 1 1 A 34 34 THR HA H 31 4.764 5.170 -0.406 1
1 155 . 3 1 1 A 34 34 THR C C 31 172.745 173.155 -0.410 1
1 156 . 3 1 1 A 34 34 THR CA C 31 59.891 59.907 -0.016 1
1 157 . 3 1 1 A 34 34 THR CB C 31 71.522 71.970 -0.448 1
1 159 . 3 1 1 A 34 34 THR N N 31 120.162 116.985 3.177 1
1 160 . 3 1 1 A 35 35 VAL H H 32 8.286 8.895 -0.609 1
1 161 . 3 1 1 A 35 35 VAL HA H 32 4.110 3.934 0.176 1
1 169 . 3 1 1 A 35 35 VAL C C 32 175.720 174.546 1.174 1
1 170 . 3 1 1 A 35 35 VAL CA C 32 62.838 63.730 -0.892 1
1 171 . 3 1 1 A 35 35 VAL CB C 32 32.883 30.048 2.835 1
1 174 . 3 1 1 A 35 35 VAL N N 32 122.209 124.353 -2.144 1
1 175 . 3 1 1 A 36 36 THR H H 33 8.749 9.206 -0.457 1
1 176 . 3 1 1 A 36 36 THR HA H 33 4.486 5.277 -0.791 1
1 181 . 3 1 1 A 36 36 THR C C 33 173.029 172.810 0.219 1
1 182 . 3 1 1 A 36 36 THR CA C 33 61.029 59.714 1.315 1
1 183 . 3 1 1 A 36 36 THR CB C 33 71.425 70.981 0.444 1
1 185 . 3 1 1 A 36 36 THR N N 33 125.259 119.492 5.767 1
1 186 . 3 1 1 A 37 37 THR H H 34 8.544 8.760 -0.216 1
1 187 . 3 1 1 A 37 37 THR HA H 34 4.371 4.588 -0.217 1
1 192 . 3 1 1 A 37 37 THR C C 34 173.839 172.977 0.862 1
1 193 . 3 1 1 A 37 37 THR CA C 34 62.892 60.878 2.014 1
1 194 . 3 1 1 A 37 37 THR CB C 34 68.156 69.062 -0.906 1
1 196 . 3 1 1 A 37 37 THR N N 34 122.774 119.262 3.512 1
1 197 . 3 1 1 A 38 38 CYS H H 35 9.227 9.055 0.172 1
1 198 . 3 1 1 A 38 38 CYS HA H 35 4.516 5.110 -0.594 1
1 201 . 3 1 1 A 38 38 CYS C C 35 174.923 173.504 1.419 1
1 202 . 3 1 1 A 38 38 CYS CA C 35 52.962 54.558 -1.596 1
1 203 . 3 1 1 A 38 38 CYS CB C 35 37.439 44.803 -7.364 1
1 204 . 3 1 1 A 38 38 CYS N N 35 129.056 127.040 2.016 1
1 205 . 3 1 1 A 39 39 ALA H H 36 8.113 8.748 -0.635 1
1 206 . 3 1 1 A 39 39 ALA HA H 36 4.313 4.418 -0.105 1
1 210 . 3 1 1 A 39 39 ALA C C 36 178.809 178.432 0.377 1
1 211 . 3 1 1 A 39 39 ALA CA C 36 52.125 51.861 0.264 1
1 212 . 3 1 1 A 39 39 ALA CB C 36 19.235 20.069 -0.834 1
1 213 . 3 1 1 A 39 39 ALA N N 36 122.621 124.856 -2.235 1
1 214 . 3 1 1 A 40 40 GLU H H 37 8.701 8.883 -0.182 1
1 215 . 3 1 1 A 40 40 GLU HA H 37 3.826 3.944 -0.118 1
1 220 . 3 1 1 A 40 40 GLU C C 37 177.999 178.491 -0.492 1
1 221 . 3 1 1 A 40 40 GLU CA C 37 60.104 59.657 0.447 1
1 222 . 3 1 1 A 40 40 GLU CB C 37 29.712 29.242 0.470 1
1 224 . 3 1 1 A 40 40 GLU N N 37 120.905 118.911 1.994 1
1 225 . 3 1 1 A 41 41 GLU H H 38 8.870 8.890 -0.020 1
1 226 . 3 1 1 A 41 41 GLU HA H 38 4.233 4.115 0.118 1
1 231 . 3 1 1 A 41 41 GLU C C 38 176.790 177.356 -0.566 1
1 232 . 3 1 1 A 41 41 GLU CA C 38 57.438 59.354 -1.916 1
1 233 . 3 1 1 A 41 41 GLU CB C 38 28.813 29.056 -0.243 1
1 235 . 3 1 1 A 41 41 GLU N N 38 113.838 117.876 -4.038 1
1 236 . 3 1 1 A 42 42 GLN H H 39 7.935 7.936 -0.001 1
1 237 . 3 1 1 A 42 42 GLN HA H 39 4.069 4.545 -0.476 1
1 242 . 3 1 1 A 42 42 GLN C C 39 174.033 176.220 -2.187 1
1 243 . 3 1 1 A 42 42 GLN CA C 39 55.177 54.484 0.693 1
1 244 . 3 1 1 A 42 42 GLN CB C 39 28.144 26.881 1.263 1
1 246 . 3 1 1 A 42 42 GLN N N 39 120.919 118.256 2.663 1
1 247 . 3 1 1 A 43 43 THR H H 40 6.846 7.631 -0.785 1
1 248 . 3 1 1 A 43 43 THR HA H 40 4.340 4.467 -0.127 1
1 253 . 3 1 1 A 43 43 THR C C 40 175.221 173.492 1.729 1
1 254 . 3 1 1 A 43 43 THR CA C 40 60.677 62.041 -1.364 1
1 255 . 3 1 1 A 43 43 THR CB C 40 68.516 68.784 -0.268 1
1 257 . 3 1 1 A 43 43 THR N N 40 109.859 112.786 -2.927 1
1 258 . 3 1 1 A 44 44 ARG H H 41 8.496 7.565 0.931 1
1 259 . 3 1 1 A 44 44 ARG HA H 41 5.001 4.646 0.355 1
1 266 . 3 1 1 A 44 44 ARG C C 41 174.082 174.072 0.010 1
1 267 . 3 1 1 A 44 44 ARG CA C 41 52.838 54.173 -1.335 1
1 268 . 3 1 1 A 44 44 ARG CB C 41 34.466 33.761 0.705 1
1 271 . 3 1 1 A 44 44 ARG N N 41 122.000 121.855 0.145 1
1 272 . 3 1 1 A 45 45 CYS H H 42 8.814 9.013 -0.199 1
1 273 . 3 1 1 A 45 45 CYS HA H 42 5.566 5.243 0.323 1
1 276 . 3 1 1 A 45 45 CYS C C 42 173.806 171.417 2.389 1
1 277 . 3 1 1 A 45 45 CYS CA C 42 51.956 55.126 -3.170 1
1 278 . 3 1 1 A 45 45 CYS CB C 42 38.526 46.143 -7.617 1
1 279 . 3 1 1 A 45 45 CYS N N 42 115.378 119.391 -4.013 1
1 280 . 3 1 1 A 46 46 LEU H H 43 9.234 9.200 0.034 1
1 281 . 3 1 1 A 46 46 LEU HA H 43 5.382 4.946 0.436 1
1 291 . 3 1 1 A 46 46 LEU C C 43 176.639 175.406 1.233 1
1 292 . 3 1 1 A 46 46 LEU CA C 43 53.739 53.758 -0.019 1
1 293 . 3 1 1 A 46 46 LEU CB C 43 46.024 43.394 2.630 1
1 297 . 3 1 1 A 46 46 LEU N N 43 122.940 128.374 -5.434 1
1 298 . 3 1 1 A 47 47 PHE H H 44 9.048 8.968 0.080 1
1 299 . 3 1 1 A 47 47 PHE HA H 44 5.700 6.004 -0.304 1
1 306 . 3 1 1 A 47 47 PHE C C 44 173.708 173.484 0.224 1
1 307 . 3 1 1 A 47 47 PHE CA C 44 56.494 55.898 0.596 1
1 308 . 3 1 1 A 47 47 PHE CB C 44 44.246 42.317 1.929 1
1 313 . 3 1 1 A 47 47 PHE N N 44 128.522 127.834 0.688 1
1 314 . 3 1 1 A 48 48 VAL H H 45 8.086 8.432 -0.346 1
1 315 . 3 1 1 A 48 48 VAL HA H 45 4.234 5.104 -0.870 1
1 323 . 3 1 1 A 48 48 VAL C C 45 173.728 174.396 -0.668 1
1 324 . 3 1 1 A 48 48 VAL CA C 45 61.110 59.844 1.266 1
1 325 . 3 1 1 A 48 48 VAL CB C 45 36.121 35.298 0.823 1
1 328 . 3 1 1 A 48 48 VAL N N 45 124.455 126.763 -2.308 1
1 329 . 3 1 1 A 49 49 GLN H H 46 8.391 8.424 -0.033 1
1 330 . 3 1 1 A 49 49 GLN HA H 46 4.155 4.496 -0.341 1
1 335 . 3 1 1 A 49 49 GLN C C 46 174.214 175.378 -1.164 1
1 336 . 3 1 1 A 49 49 GLN CA C 46 54.491 55.934 -1.443 1
1 337 . 3 1 1 A 49 49 GLN CB C 46 29.986 29.529 0.457 1
1 339 . 3 1 1 A 49 49 GLN N N 46 126.537 126.146 0.391 1
1 340 . 3 1 1 A 50 50 LEU H H 47 7.646 8.493 -0.847 1
1 341 . 3 1 1 A 50 50 LEU HA H 47 3.856 4.855 -0.999 1
1 351 . 3 1 1 A 50 50 LEU C C 47 175.649 176.720 -1.071 1
1 352 . 3 1 1 A 50 50 LEU CA C 47 53.706 51.400 2.306 1
1 353 . 3 1 1 A 50 50 LEU CB C 47 39.821 45.446 -5.625 1
1 357 . 3 1 1 A 50 50 LEU N N 47 127.637 124.673 2.964 1
1 358 . 3 1 1 A 51 51 PRO HA H 48 3.921 4.396 -0.475 1
1 365 . 3 1 1 A 51 51 PRO C C 48 177.492 175.483 2.009 1
1 366 . 3 1 1 A 51 51 PRO CA C 48 65.923 63.675 2.248 1
1 367 . 3 1 1 A 51 51 PRO CB C 48 31.509 32.140 -0.631 1
1 370 . 3 1 1 A 52 52 TYR H H 49 7.517 7.834 -0.317 1
1 371 . 3 1 1 A 52 52 TYR HA H 49 4.790 4.687 0.103 1
1 378 . 3 1 1 A 52 52 TYR C C 49 175.214 175.495 -0.281 1
1 379 . 3 1 1 A 52 52 TYR CA C 49 55.767 58.997 -3.230 1
1 380 . 3 1 1 A 52 52 TYR CB C 49 39.277 40.687 -1.410 1
1 385 . 3 1 1 A 52 52 TYR N N 49 109.643 117.520 -7.877 1
1 386 . 3 1 1 A 53 53 SER H H 50 6.986 7.895 -0.909 1
1 387 . 3 1 1 A 53 53 SER HA H 50 4.409 4.886 -0.477 1
1 390 . 3 1 1 A 53 53 SER C C 50 171.925 172.453 -0.528 1
1 391 . 3 1 1 A 53 53 SER CA C 50 57.189 57.358 -0.169 1
1 392 . 3 1 1 A 53 53 SER CB C 50 63.786 66.654 -2.868 1
1 393 . 3 1 1 A 53 53 SER N N 50 112.994 112.446 0.548 1
1 394 . 3 1 1 A 54 54 GLU H H 51 7.890 8.866 -0.976 1
1 395 . 3 1 1 A 54 54 GLU HA H 51 4.903 4.962 -0.059 1
1 400 . 3 1 1 A 54 54 GLU C C 51 175.536 174.751 0.785 1
1 401 . 3 1 1 A 54 54 GLU CA C 51 54.722 54.547 0.175 1
1 402 . 3 1 1 A 54 54 GLU CB C 51 33.225 33.501 -0.276 1
1 404 . 3 1 1 A 54 54 GLU N N 51 115.330 118.547 -3.217 1
1 405 . 3 1 1 A 55 55 ILE H H 52 8.600 8.369 0.231 1
1 406 . 3 1 1 A 55 55 ILE HA H 52 4.302 4.639 -0.337 1
1 416 . 3 1 1 A 55 55 ILE C C 52 175.783 175.330 0.453 1
1 417 . 3 1 1 A 55 55 ILE CA C 52 60.360 60.145 0.215 1
1 418 . 3 1 1 A 55 55 ILE CB C 52 39.228 37.959 1.269 1
1 422 . 3 1 1 A 55 55 ILE N N 52 122.129 123.039 -0.910 1
1 423 . 3 1 1 A 56 56 GLN H H 53 8.573 8.622 -0.049 1
1 424 . 3 1 1 A 56 56 GLN HA H 53 5.394 5.638 -0.244 1
1 429 . 3 1 1 A 56 56 GLN C C 53 174.379 174.521 -0.142 1
1 430 . 3 1 1 A 56 56 GLN CA C 53 54.790 54.566 0.224 1
1 431 . 3 1 1 A 56 56 GLN CB C 53 33.315 32.278 1.037 1
1 433 . 3 1 1 A 56 56 GLN N N 53 126.768 126.683 0.085 1
1 434 . 3 1 1 A 57 57 GLU H H 54 7.782 8.601 -0.819 1
1 435 . 3 1 1 A 57 57 GLU HA H 54 4.967 4.920 0.047 1
1 440 . 3 1 1 A 57 57 GLU C C 54 176.345 174.474 1.871 1
1 441 . 3 1 1 A 57 57 GLU CA C 54 55.405 55.436 -0.031 1
1 442 . 3 1 1 A 57 57 GLU CB C 54 36.080 32.659 3.421 1
1 444 . 3 1 1 A 57 57 GLU N N 54 117.990 120.239 -2.249 1
1 445 . 3 1 1 A 58 58 CYS H H 55 8.780 8.524 0.256 1
1 446 . 3 1 1 A 58 58 CYS HA H 55 5.145 5.073 0.072 1
1 449 . 3 1 1 A 58 58 CYS C C 55 175.293 173.929 1.364 1
1 450 . 3 1 1 A 58 58 CYS CA C 55 57.749 55.056 2.693 1
1 451 . 3 1 1 A 58 58 CYS CB C 55 45.523 42.912 2.611 1
1 452 . 3 1 1 A 58 58 CYS N N 55 119.662 120.517 -0.855 1
1 453 . 3 1 1 A 59 59 LYS H H 56 9.277 8.922 0.355 1
1 454 . 3 1 1 A 59 59 LYS HA H 56 4.896 4.837 0.059 1
1 463 . 3 1 1 A 59 59 LYS C C 56 176.049 176.243 -0.194 1
1 464 . 3 1 1 A 59 59 LYS CA C 56 53.903 54.479 -0.576 1
1 465 . 3 1 1 A 59 59 LYS CB C 56 40.637 35.951 4.686 1
1 469 . 3 1 1 A 59 59 LYS N N 56 120.535 125.231 -4.696 1
1 470 . 3 1 1 A 60 60 THR H H 57 7.997 8.785 -0.788 1
1 471 . 3 1 1 A 60 60 THR HA H 57 4.876 4.778 0.098 1
1 476 . 3 1 1 A 60 60 THR C C 57 175.637 176.301 -0.664 1
1 477 . 3 1 1 A 60 60 THR CA C 57 61.017 61.327 -0.310 1
1 478 . 3 1 1 A 60 60 THR CB C 57 70.774 70.539 0.235 1
1 480 . 3 1 1 A 60 60 THR N N 57 108.910 113.342 -4.432 1
1 481 . 3 1 1 A 61 61 VAL H H 58 8.689 8.235 0.454 1
1 482 . 3 1 1 A 61 61 VAL HA H 58 3.477 3.643 -0.166 1
1 490 . 3 1 1 A 61 61 VAL C C 58 178.541 177.465 1.076 1
1 491 . 3 1 1 A 61 61 VAL CA C 58 67.024 67.178 -0.154 1
1 492 . 3 1 1 A 61 61 VAL CB C 58 31.751 31.837 -0.086 1
1 495 . 3 1 1 A 61 61 VAL N N 58 121.313 122.611 -1.298 1
1 496 . 3 1 1 A 62 62 GLN H H 59 8.564 8.013 0.551 1
1 497 . 3 1 1 A 62 62 GLN HA H 59 4.062 3.991 0.071 1
1 502 . 3 1 1 A 62 62 GLN C C 59 178.871 178.562 0.309 1
1 503 . 3 1 1 A 62 62 GLN CA C 59 58.993 59.312 -0.319 1
1 504 . 3 1 1 A 62 62 GLN CB C 59 28.085 28.507 -0.422 1
1 506 . 3 1 1 A 62 62 GLN N N 59 119.395 119.496 -0.101 1
1 507 . 3 1 1 A 63 63 GLN H H 60 7.644 7.868 -0.224 1
1 508 . 3 1 1 A 63 63 GLN HA H 60 4.082 4.353 -0.271 1
1 513 . 3 1 1 A 63 63 GLN C C 60 179.023 177.886 1.137 1
1 514 . 3 1 1 A 63 63 GLN CA C 60 58.106 58.724 -0.618 1
1 515 . 3 1 1 A 63 63 GLN CB C 60 29.283 28.335 0.948 1
1 517 . 3 1 1 A 63 63 GLN N N 60 116.638 118.231 -1.593 1
1 518 . 3 1 1 A 64 64 CYS H H 61 8.543 8.407 0.136 1
1 519 . 3 1 1 A 64 64 CYS HA H 61 3.951 4.336 -0.385 1
1 522 . 3 1 1 A 64 64 CYS C C 61 176.171 176.169 0.002 1
1 523 . 3 1 1 A 64 64 CYS CA C 61 64.735 58.983 5.752 1
1 524 . 3 1 1 A 64 64 CYS CB C 61 40.828 41.997 -1.169 1
1 525 . 3 1 1 A 64 64 CYS N N 61 118.614 118.086 0.528 1
1 526 . 3 1 1 A 65 65 ALA H H 62 7.791 7.892 -0.101 1
1 527 . 3 1 1 A 65 65 ALA HA H 62 4.021 4.037 -0.016 1
1 531 . 3 1 1 A 65 65 ALA C C 62 180.353 179.351 1.002 1
1 532 . 3 1 1 A 65 65 ALA CA C 62 55.249 55.299 -0.050 1
1 533 . 3 1 1 A 65 65 ALA CB C 62 18.069 18.036 0.033 1
1 534 . 3 1 1 A 65 65 ALA N N 62 119.479 122.552 -3.073 1
1 535 . 3 1 1 A 66 66 GLU H H 63 7.685 8.518 -0.833 1
1 536 . 3 1 1 A 66 66 GLU HA H 63 4.041 4.105 -0.064 1
1 541 . 3 1 1 A 66 66 GLU C C 63 179.701 178.329 1.372 1
1 542 . 3 1 1 A 66 66 GLU CA C 63 59.440 59.324 0.116 1
1 543 . 3 1 1 A 66 66 GLU CB C 63 29.735 29.139 0.596 1
1 545 . 3 1 1 A 66 66 GLU N N 63 117.981 116.476 1.505 1
1 546 . 3 1 1 A 67 67 VAL H H 64 7.795 8.095 -0.300 1
1 547 . 3 1 1 A 67 67 VAL HA H 64 3.826 4.280 -0.454 1
1 555 . 3 1 1 A 67 67 VAL C C 64 178.078 177.866 0.212 1
1 556 . 3 1 1 A 67 67 VAL CA C 64 66.262 65.819 0.443 1
1 557 . 3 1 1 A 67 67 VAL CB C 64 31.703 31.234 0.469 1
1 560 . 3 1 1 A 67 67 VAL N N 64 120.422 117.012 3.410 1
1 561 . 3 1 1 A 68 68 LEU H H 65 8.563 8.194 0.369 1
1 562 . 3 1 1 A 68 68 LEU HA H 65 3.897 3.970 -0.073 1
1 572 . 3 1 1 A 68 68 LEU C C 65 180.593 178.345 2.248 1
1 573 . 3 1 1 A 68 68 LEU CA C 65 58.495 58.574 -0.079 1
1 574 . 3 1 1 A 68 68 LEU CB C 65 41.633 41.263 0.370 1
1 578 . 3 1 1 A 68 68 LEU N N 65 119.314 124.989 -5.675 1
1 579 . 3 1 1 A 69 69 GLU H H 66 8.071 7.862 0.209 1
1 580 . 3 1 1 A 69 69 GLU HA H 66 3.947 4.605 -0.658 1
1 585 . 3 1 1 A 69 69 GLU C C 66 178.591 178.424 0.167 1
1 586 . 3 1 1 A 69 69 GLU CA C 66 59.727 59.112 0.615 1
1 587 . 3 1 1 A 69 69 GLU CB C 66 29.549 29.279 0.270 1
1 589 . 3 1 1 A 69 69 GLU N N 66 120.124 118.673 1.451 1
1 590 . 3 1 1 A 70 70 GLU H H 67 7.471 7.950 -0.479 1
1 591 . 3 1 1 A 70 70 GLU HA H 67 4.111 4.112 -0.001 1
1 596 . 3 1 1 A 70 70 GLU C C 67 179.873 178.234 1.639 1
1 597 . 3 1 1 A 70 70 GLU CA C 67 59.439 59.113 0.326 1
1 598 . 3 1 1 A 70 70 GLU CB C 67 30.021 29.324 0.697 1
1 600 . 3 1 1 A 70 70 GLU N N 67 119.545 117.737 1.808 1
1 601 . 3 1 1 A 71 71 VAL H H 68 8.790 7.438 1.352 1
1 602 . 3 1 1 A 71 71 VAL HA H 68 4.137 3.879 0.258 1
1 610 . 3 1 1 A 71 71 VAL C C 68 178.818 177.800 1.018 1
1 611 . 3 1 1 A 71 71 VAL CA C 68 64.321 65.576 -1.255 1
1 612 . 3 1 1 A 71 71 VAL CB C 68 31.230 31.465 -0.235 1
1 615 . 3 1 1 A 71 71 VAL N N 68 111.497 116.646 -5.149 1
1 616 . 3 1 1 A 72 72 THR H H 69 8.231 8.042 0.189 1
1 617 . 3 1 1 A 72 72 THR HA H 69 4.161 4.346 -0.185 1
1 622 . 3 1 1 A 72 72 THR C C 69 177.502 177.001 0.501 1
1 623 . 3 1 1 A 72 72 THR CA C 69 66.179 65.218 0.961 1
1 624 . 3 1 1 A 72 72 THR CB C 69 68.770 68.570 0.200 1
1 626 . 3 1 1 A 72 72 THR N N 69 118.078 114.096 3.982 1
1 627 . 3 1 1 A 73 73 ALA H H 70 7.177 8.317 -1.140 1
1 628 . 3 1 1 A 73 73 ALA HA H 70 4.139 4.213 -0.074 1
1 632 . 3 1 1 A 73 73 ALA C C 70 179.116 178.469 0.647 1
1 633 . 3 1 1 A 73 73 ALA CA C 70 54.690 54.416 0.274 1
1 634 . 3 1 1 A 73 73 ALA CB C 70 18.039 18.341 -0.302 1
1 635 . 3 1 1 A 73 73 ALA N N 70 123.757 123.407 0.350 1
1 636 . 3 1 1 A 74 74 ILE H H 71 6.874 7.379 -0.505 1
1 637 . 3 1 1 A 74 74 ILE HA H 71 3.988 4.189 -0.201 1
1 647 . 3 1 1 A 74 74 ILE C C 71 176.201 176.020 0.181 1
1 648 . 3 1 1 A 74 74 ILE CA C 71 61.927 61.661 0.266 1
1 649 . 3 1 1 A 74 74 ILE CB C 71 38.431 38.613 -0.182 1
1 653 . 3 1 1 A 74 74 ILE N N 71 113.131 115.312 -2.181 1
1 654 . 3 1 1 A 75 75 GLY H H 72 7.476 7.755 -0.279 1
1 655 . 3 1 1 A 75 75 GLY HA2 H 72 3.663 3.901 -0.238 1
1 656 . 3 1 1 A 75 75 GLY HA3 H 72 4.166 3.986 0.180 1
1 657 . 3 1 1 A 75 75 GLY C C 72 174.832 174.078 0.754 1
1 658 . 3 1 1 A 75 75 GLY CA C 72 45.144 44.839 0.305 1
1 659 . 3 1 1 A 75 75 GLY N N 72 106.405 108.142 -1.737 1
1 660 . 3 1 1 A 76 76 TYR H H 73 7.340 7.866 -0.526 1
1 661 . 3 1 1 A 76 76 TYR HA H 73 5.184 4.579 0.605 1
1 668 . 3 1 1 A 76 76 TYR C C 73 173.889 174.616 -0.727 1
1 669 . 3 1 1 A 76 76 TYR CA C 73 52.922 57.095 -4.173 1
1 670 . 3 1 1 A 76 76 TYR CB C 73 36.723 38.321 -1.598 1
1 675 . 3 1 1 A 76 76 TYR N N 73 122.416 120.250 2.166 1
1 676 . 3 1 1 A 77 77 PRO HA H 74 4.394 4.508 -0.114 1
1 683 . 3 1 1 A 77 77 PRO C C 74 175.722 176.164 -0.442 1
1 684 . 3 1 1 A 77 77 PRO CA C 74 63.242 63.094 0.148 1
1 685 . 3 1 1 A 77 77 PRO CB C 74 32.460 31.974 0.486 1
1 688 . 3 1 1 A 78 78 ALA H H 75 7.778 8.545 -0.767 1
1 689 . 3 1 1 A 78 78 ALA HA H 75 5.239 5.589 -0.350 1
1 693 . 3 1 1 A 78 78 ALA C C 75 176.207 175.692 0.515 1
1 694 . 3 1 1 A 78 78 ALA CA C 75 51.422 50.569 0.853 1
1 695 . 3 1 1 A 78 78 ALA CB C 75 25.258 23.449 1.809 1
1 696 . 3 1 1 A 78 78 ALA N N 75 122.638 125.366 -2.728 1
1 697 . 3 1 1 A 79 79 LYS H H 76 9.213 9.091 0.122 1
1 698 . 3 1 1 A 79 79 LYS HA H 76 4.632 5.060 -0.428 1
1 707 . 3 1 1 A 79 79 LYS C C 76 173.669 174.601 -0.932 1
1 708 . 3 1 1 A 79 79 LYS CA C 76 55.912 54.853 1.059 1
1 709 . 3 1 1 A 79 79 LYS CB C 76 36.309 35.097 1.212 1
1 713 . 3 1 1 A 79 79 LYS N N 76 115.751 116.799 -1.048 1
1 714 . 3 1 1 A 80 80 CYS H H 77 8.602 8.974 -0.372 1
1 715 . 3 1 1 A 80 80 CYS HA H 77 5.535 6.393 -0.858 1
1 718 . 3 1 1 A 80 80 CYS C C 77 174.029 172.968 1.061 1
1 719 . 3 1 1 A 80 80 CYS CA C 77 56.029 54.877 1.152 1
1 720 . 3 1 1 A 80 80 CYS CB C 77 47.796 42.502 5.294 1
1 721 . 3 1 1 A 80 80 CYS N N 77 119.633 121.385 -1.752 1
1 722 . 3 1 1 A 81 81 CYS H H 78 9.428 9.038 0.390 1
1 723 . 3 1 1 A 81 81 CYS HA H 78 5.391 5.507 -0.116 1
1 726 . 3 1 1 A 81 81 CYS C C 78 173.980 172.446 1.534 1
1 727 . 3 1 1 A 81 81 CYS CA C 78 54.237 53.702 0.535 1
1 728 . 3 1 1 A 81 81 CYS CB C 78 47.557 45.798 1.759 1
1 729 . 3 1 1 A 81 81 CYS N N 78 120.091 123.128 -3.037 1
1 730 . 3 1 1 A 82 82 CYS H H 79 9.291 8.952 0.339 1
1 731 . 3 1 1 A 82 82 CYS HA H 79 5.134 5.413 -0.279 1
1 734 . 3 1 1 A 82 82 CYS C C 79 172.349 173.673 -1.324 1
1 735 . 3 1 1 A 82 82 CYS CA C 79 56.628 57.491 -0.863 1
1 736 . 3 1 1 A 82 82 CYS CB C 79 46.122 28.880 17.242 1
1 737 . 3 1 1 A 82 82 CYS N N 79 117.137 120.904 -3.767 1
1 738 . 3 1 1 A 83 83 GLU H H 80 7.283 8.552 -1.269 1
1 739 . 3 1 1 A 83 83 GLU HA H 80 4.625 4.654 -0.029 1
1 744 . 3 1 1 A 83 83 GLU C C 80 174.435 174.495 -0.060 1
1 745 . 3 1 1 A 83 83 GLU CA C 80 54.873 55.977 -1.104 1
1 746 . 3 1 1 A 83 83 GLU CB C 80 33.106 33.834 -0.728 1
1 748 . 3 1 1 A 83 83 GLU N N 80 120.821 124.508 -3.687 1
1 749 . 3 1 1 A 84 84 ASP H H 81 8.433 8.691 -0.258 1
1 750 . 3 1 1 A 84 84 ASP HA H 81 4.956 4.599 0.357 1
1 753 . 3 1 1 A 84 84 ASP C C 81 178.149 176.719 1.430 1
1 754 . 3 1 1 A 84 84 ASP CA C 81 55.409 55.339 0.070 1
1 755 . 3 1 1 A 84 84 ASP CB C 81 40.817 40.731 0.086 1
1 756 . 3 1 1 A 84 84 ASP N N 81 121.789 124.231 -2.442 1
1 757 . 3 1 1 A 85 85 LEU H H 82 9.244 9.322 -0.078 1
1 758 . 3 1 1 A 85 85 LEU HA H 82 3.308 3.777 -0.469 1
1 765 . 3 1 1 A 85 85 LEU C C 82 176.858 176.838 0.020 1
1 766 . 3 1 1 A 85 85 LEU CA C 82 56.047 56.363 -0.316 1
1 767 . 3 1 1 A 85 85 LEU CB C 82 36.885 39.148 -2.263 1
1 770 . 3 1 1 A 85 85 LEU N N 82 114.422 118.453 -4.031 1
1 771 . 3 1 1 A 86 86 CYS H H 83 8.005 7.831 0.174 1
1 772 . 3 1 1 A 86 86 CYS HA H 83 4.547 4.339 0.208 1
1 775 . 3 1 1 A 86 86 CYS C C 83 174.632 175.878 -1.246 1
1 776 . 3 1 1 A 86 86 CYS CA C 83 57.206 59.302 -2.096 1
1 777 . 3 1 1 A 86 86 CYS CB C 83 47.155 42.118 5.037 1
1 778 . 3 1 1 A 86 86 CYS N N 83 112.558 117.637 -5.079 1
1 779 . 3 1 1 A 87 87 ASN H H 84 8.859 8.255 0.604 1
1 780 . 3 1 1 A 87 87 ASN HA H 84 4.526 4.356 0.170 1
1 783 . 3 1 1 A 87 87 ASN C C 84 172.146 175.860 -3.714 1
1 784 . 3 1 1 A 87 87 ASN CA C 84 52.617 56.282 -3.665 1
1 785 . 3 1 1 A 87 87 ASN CB C 84 36.673 38.154 -1.481 1
1 786 . 3 1 1 A 87 87 ASN N N 84 119.985 118.234 1.751 1
1 787 . 3 1 1 A 88 88 ARG H H 85 7.353 8.341 -0.988 1
1 788 . 3 1 1 A 88 88 ARG HA H 85 3.734 3.966 -0.232 1
1 795 . 3 1 1 A 88 88 ARG C C 85 173.901 175.538 -1.637 1
1 796 . 3 1 1 A 88 88 ARG CA C 85 55.058 58.057 -2.999 1
1 797 . 3 1 1 A 88 88 ARG CB C 85 31.857 29.616 2.241 1
1 800 . 3 1 1 A 88 88 ARG N N 85 118.446 119.148 -0.702 1
1 801 . 3 1 1 A 89 89 SER H H 86 7.987 8.633 -0.646 1
1 802 . 3 1 1 A 89 89 SER HA H 86 3.689 4.096 -0.407 1
1 805 . 3 1 1 A 89 89 SER C C 86 174.342 174.073 0.269 1
1 806 . 3 1 1 A 89 89 SER CA C 86 57.844 59.656 -1.812 1
1 807 . 3 1 1 A 89 89 SER CB C 86 63.504 60.831 2.673 1
1 808 . 3 1 1 A 89 89 SER N N 86 115.514 112.515 2.999 1
1 809 . 3 1 1 A 90 90 GLU H H 87 8.461 8.339 0.122 1
1 810 . 3 1 1 A 90 90 GLU HA H 87 4.125 4.208 -0.083 1
1 815 . 3 1 1 A 90 90 GLU C C 87 175.632 176.137 -0.505 1
1 816 . 3 1 1 A 90 90 GLU CA C 87 56.799 57.833 -1.034 1
1 817 . 3 1 1 A 90 90 GLU CB C 87 30.049 29.853 0.196 1
1 819 . 3 1 1 A 90 90 GLU N N 87 122.917 119.157 3.760 1
1 16 . 4 1 1 A 22 22 ALA H H 19 8.052 8.361 -0.309 1
1 17 . 4 1 1 A 22 22 ALA HA H 19 4.191 4.699 -0.508 1
1 21 . 4 1 1 A 22 22 ALA C C 19 176.151 177.498 -1.347 1
1 22 . 4 1 1 A 22 22 ALA CA C 19 51.960 52.058 -0.098 1
1 23 . 4 1 1 A 22 22 ALA CB C 19 19.784 19.072 0.712 1
1 24 . 4 1 1 A 22 22 ALA N N 19 125.891 125.714 0.177 1
1 25 . 4 1 1 A 23 23 LEU H H 20 8.117 8.590 -0.473 1
1 26 . 4 1 1 A 23 23 LEU HA H 20 4.273 4.810 -0.537 1
1 36 . 4 1 1 A 23 23 LEU C C 20 174.307 176.133 -1.826 1
1 37 . 4 1 1 A 23 23 LEU CA C 20 54.838 53.709 1.129 1
1 38 . 4 1 1 A 23 23 LEU CB C 20 44.574 43.319 1.255 1
1 42 . 4 1 1 A 23 23 LEU N N 20 125.488 123.810 1.678 1
1 43 . 4 1 1 A 24 24 LYS H H 21 7.915 9.468 -1.553 1
1 44 . 4 1 1 A 24 24 LYS HA H 21 5.287 5.327 -0.040 1
1 53 . 4 1 1 A 24 24 LYS C C 21 175.901 175.600 0.301 1
1 54 . 4 1 1 A 24 24 LYS CA C 21 54.174 54.951 -0.777 1
1 55 . 4 1 1 A 24 24 LYS CB C 21 34.841 33.381 1.460 1
1 59 . 4 1 1 A 24 24 LYS N N 21 122.369 121.143 1.226 1
1 60 . 4 1 1 A 25 25 CYS H H 22 8.426 8.269 0.157 1
1 61 . 4 1 1 A 25 25 CYS HA H 22 4.886 5.368 -0.482 1
1 64 . 4 1 1 A 25 25 CYS C C 22 175.309 173.539 1.770 1
1 65 . 4 1 1 A 25 25 CYS CA C 22 51.680 55.244 -3.564 1
1 66 . 4 1 1 A 25 25 CYS CB C 22 41.829 44.572 -2.743 1
1 67 . 4 1 1 A 25 25 CYS N N 22 117.505 122.955 -5.450 1
1 68 . 4 1 1 A 26 26 PHE H H 23 8.960 9.324 -0.364 1
1 69 . 4 1 1 A 26 26 PHE HA H 23 5.057 5.096 -0.039 1
1 74 . 4 1 1 A 26 26 PHE C C 23 176.694 175.982 0.712 1
1 75 . 4 1 1 A 26 26 PHE CA C 23 60.302 58.457 1.845 1
1 76 . 4 1 1 A 26 26 PHE CB C 23 39.490 40.015 -0.525 1
1 79 . 4 1 1 A 26 26 PHE N N 23 120.038 122.055 -2.017 1
1 80 . 4 1 1 A 27 27 THR H H 24 9.071 9.103 -0.032 1
1 81 . 4 1 1 A 27 27 THR HA H 24 4.960 5.304 -0.344 1
1 86 . 4 1 1 A 27 27 THR C C 24 173.722 172.899 0.823 1
1 87 . 4 1 1 A 27 27 THR CA C 24 59.835 61.242 -1.407 1
1 88 . 4 1 1 A 27 27 THR CB C 24 71.382 72.198 -0.816 1
1 90 . 4 1 1 A 27 27 THR N N 24 114.266 114.383 -0.117 1
1 91 . 4 1 1 A 28 28 ARG H H 25 8.398 8.830 -0.432 1
1 92 . 4 1 1 A 28 28 ARG HA H 25 5.158 5.064 0.094 1
1 99 . 4 1 1 A 28 28 ARG C C 25 175.547 175.270 0.277 1
1 100 . 4 1 1 A 28 28 ARG CA C 25 54.586 55.858 -1.272 1
1 101 . 4 1 1 A 28 28 ARG CB C 25 32.443 31.001 1.442 1
1 104 . 4 1 1 A 28 28 ARG N N 25 123.189 126.677 -3.488 1
1 105 . 4 1 1 A 29 29 ASN H H 26 8.589 8.655 -0.066 1
1 106 . 4 1 1 A 29 29 ASN HA H 26 4.938 5.280 -0.342 1
1 109 . 4 1 1 A 29 29 ASN C C 26 175.273 175.903 -0.630 1
1 110 . 4 1 1 A 29 29 ASN CA C 26 52.276 52.901 -0.625 1
1 111 . 4 1 1 A 29 29 ASN CB C 26 39.660 38.475 1.185 1
1 112 . 4 1 1 A 29 29 ASN N N 26 125.242 123.601 1.641 1
1 113 . 4 1 1 A 30 30 GLY H H 27 9.046 8.795 0.251 1
1 114 . 4 1 1 A 30 30 GLY HA2 H 27 3.649 3.879 -0.230 1
1 115 . 4 1 1 A 30 30 GLY HA3 H 27 3.996 3.881 0.115 1
1 116 . 4 1 1 A 30 30 GLY C C 27 174.707 174.272 0.435 1
1 117 . 4 1 1 A 30 30 GLY CA C 27 46.906 47.211 -0.305 1
1 118 . 4 1 1 A 30 30 GLY N N 27 115.613 113.431 2.182 1
1 119 . 4 1 1 A 31 31 ASP H H 28 8.956 8.416 0.540 1
1 120 . 4 1 1 A 31 31 ASP HA H 28 4.648 5.003 -0.355 1
1 123 . 4 1 1 A 31 31 ASP C C 28 175.670 175.452 0.218 1
1 124 . 4 1 1 A 31 31 ASP CA C 28 54.939 55.344 -0.405 1
1 125 . 4 1 1 A 31 31 ASP CB C 28 41.505 43.423 -1.918 1
1 126 . 4 1 1 A 31 31 ASP N N 28 126.791 125.454 1.337 1
1 127 . 4 1 1 A 32 32 ASP H H 29 7.973 7.676 0.297 1
1 128 . 4 1 1 A 32 32 ASP HA H 29 4.778 4.689 0.089 1
1 131 . 4 1 1 A 32 32 ASP C C 29 174.871 176.215 -1.344 1
1 132 . 4 1 1 A 32 32 ASP CA C 29 54.192 54.211 -0.019 1
1 133 . 4 1 1 A 32 32 ASP CB C 29 42.663 41.385 1.278 1
1 134 . 4 1 1 A 32 32 ASP N N 29 120.240 116.277 3.963 1
1 135 . 4 1 1 A 33 33 ARG H H 30 8.682 9.111 -0.429 1
1 136 . 4 1 1 A 33 33 ARG HA H 30 5.020 5.382 -0.362 1
1 143 . 4 1 1 A 33 33 ARG C C 30 175.569 175.468 0.101 1
1 144 . 4 1 1 A 33 33 ARG CA C 30 55.487 54.526 0.961 1
1 145 . 4 1 1 A 33 33 ARG CB C 30 31.962 32.687 -0.725 1
1 148 . 4 1 1 A 33 33 ARG N N 30 125.183 118.143 7.040 1
1 149 . 4 1 1 A 34 34 THR H H 31 8.976 8.949 0.027 1
1 150 . 4 1 1 A 34 34 THR HA H 31 4.764 4.871 -0.107 1
1 155 . 4 1 1 A 34 34 THR C C 31 172.745 173.861 -1.116 1
1 156 . 4 1 1 A 34 34 THR CA C 31 59.891 59.965 -0.074 1
1 157 . 4 1 1 A 34 34 THR CB C 31 71.522 70.734 0.788 1
1 159 . 4 1 1 A 34 34 THR N N 31 120.162 115.585 4.577 1
1 160 . 4 1 1 A 35 35 VAL H H 32 8.286 8.450 -0.164 1
1 161 . 4 1 1 A 35 35 VAL HA H 32 4.110 4.173 -0.063 1
1 169 . 4 1 1 A 35 35 VAL C C 32 175.720 175.594 0.126 1
1 170 . 4 1 1 A 35 35 VAL CA C 32 62.838 60.993 1.845 1
1 171 . 4 1 1 A 35 35 VAL CB C 32 32.883 32.097 0.786 1
1 174 . 4 1 1 A 35 35 VAL N N 32 122.209 122.328 -0.119 1
1 175 . 4 1 1 A 36 36 THR H H 33 8.749 8.513 0.236 1
1 176 . 4 1 1 A 36 36 THR HA H 33 4.486 5.211 -0.725 1
1 181 . 4 1 1 A 36 36 THR C C 33 173.029 172.536 0.493 1
1 182 . 4 1 1 A 36 36 THR CA C 33 61.029 59.349 1.680 1
1 183 . 4 1 1 A 36 36 THR CB C 33 71.425 70.927 0.498 1
1 185 . 4 1 1 A 36 36 THR N N 33 125.259 119.000 6.259 1
1 186 . 4 1 1 A 37 37 THR H H 34 8.544 8.939 -0.395 1
1 187 . 4 1 1 A 37 37 THR HA H 34 4.371 4.990 -0.619 1
1 192 . 4 1 1 A 37 37 THR C C 34 173.839 173.851 -0.012 1
1 193 . 4 1 1 A 37 37 THR CA C 34 62.892 60.599 2.293 1
1 194 . 4 1 1 A 37 37 THR CB C 34 68.156 70.022 -1.866 1
1 196 . 4 1 1 A 37 37 THR N N 34 122.774 118.245 4.529 1
1 197 . 4 1 1 A 38 38 CYS H H 35 9.227 9.581 -0.354 1
1 198 . 4 1 1 A 38 38 CYS HA H 35 4.516 5.110 -0.594 1
1 201 . 4 1 1 A 38 38 CYS C C 35 174.923 174.066 0.857 1
1 202 . 4 1 1 A 38 38 CYS CA C 35 52.962 54.641 -1.679 1
1 203 . 4 1 1 A 38 38 CYS CB C 35 37.439 44.416 -6.977 1
1 204 . 4 1 1 A 38 38 CYS N N 35 129.056 127.049 2.007 1
1 205 . 4 1 1 A 39 39 ALA H H 36 8.113 8.872 -0.759 1
1 206 . 4 1 1 A 39 39 ALA HA H 36 4.313 4.525 -0.212 1
1 210 . 4 1 1 A 39 39 ALA C C 36 178.809 178.706 0.103 1
1 211 . 4 1 1 A 39 39 ALA CA C 36 52.125 51.719 0.406 1
1 212 . 4 1 1 A 39 39 ALA CB C 36 19.235 20.192 -0.957 1
1 213 . 4 1 1 A 39 39 ALA N N 36 122.621 124.912 -2.291 1
1 214 . 4 1 1 A 40 40 GLU H H 37 8.701 8.857 -0.156 1
1 215 . 4 1 1 A 40 40 GLU HA H 37 3.826 3.940 -0.114 1
1 220 . 4 1 1 A 40 40 GLU C C 37 177.999 178.873 -0.874 1
1 221 . 4 1 1 A 40 40 GLU CA C 37 60.104 59.543 0.561 1
1 222 . 4 1 1 A 40 40 GLU CB C 37 29.712 29.165 0.547 1
1 224 . 4 1 1 A 40 40 GLU N N 37 120.905 117.800 3.105 1
1 225 . 4 1 1 A 41 41 GLU H H 38 8.870 8.142 0.728 1
1 226 . 4 1 1 A 41 41 GLU HA H 38 4.233 4.062 0.171 1
1 231 . 4 1 1 A 41 41 GLU C C 38 176.790 176.720 0.070 1
1 232 . 4 1 1 A 41 41 GLU CA C 38 57.438 59.586 -2.148 1
1 233 . 4 1 1 A 41 41 GLU CB C 38 28.813 29.084 -0.271 1
1 235 . 4 1 1 A 41 41 GLU N N 38 113.838 120.043 -6.205 1
1 236 . 4 1 1 A 42 42 GLN H H 39 7.935 8.016 -0.081 1
1 237 . 4 1 1 A 42 42 GLN HA H 39 4.069 4.539 -0.470 1
1 242 . 4 1 1 A 42 42 GLN C C 39 174.033 175.821 -1.788 1
1 243 . 4 1 1 A 42 42 GLN CA C 39 55.177 54.289 0.888 1
1 244 . 4 1 1 A 42 42 GLN CB C 39 28.144 27.789 0.355 1
1 246 . 4 1 1 A 42 42 GLN N N 39 120.919 117.422 3.497 1
1 247 . 4 1 1 A 43 43 THR H H 40 6.846 8.501 -1.655 1
1 248 . 4 1 1 A 43 43 THR HA H 40 4.340 4.635 -0.295 1
1 253 . 4 1 1 A 43 43 THR C C 40 175.221 173.673 1.548 1
1 254 . 4 1 1 A 43 43 THR CA C 40 60.677 61.110 -0.433 1
1 255 . 4 1 1 A 43 43 THR CB C 40 68.516 69.046 -0.530 1
1 257 . 4 1 1 A 43 43 THR N N 40 109.859 114.836 -4.977 1
1 258 . 4 1 1 A 44 44 ARG H H 41 8.496 7.547 0.949 1
1 259 . 4 1 1 A 44 44 ARG HA H 41 5.001 4.692 0.309 1
1 266 . 4 1 1 A 44 44 ARG C C 41 174.082 174.138 -0.056 1
1 267 . 4 1 1 A 44 44 ARG CA C 41 52.838 54.070 -1.232 1
1 268 . 4 1 1 A 44 44 ARG CB C 41 34.466 33.639 0.827 1
1 271 . 4 1 1 A 44 44 ARG N N 41 122.000 121.919 0.081 1
1 272 . 4 1 1 A 45 45 CYS H H 42 8.814 9.049 -0.235 1
1 273 . 4 1 1 A 45 45 CYS HA H 42 5.566 5.259 0.307 1
1 276 . 4 1 1 A 45 45 CYS C C 42 173.806 171.744 2.062 1
1 277 . 4 1 1 A 45 45 CYS CA C 42 51.956 55.076 -3.120 1
1 278 . 4 1 1 A 45 45 CYS CB C 42 38.526 45.978 -7.452 1
1 279 . 4 1 1 A 45 45 CYS N N 42 115.378 119.468 -4.090 1
1 280 . 4 1 1 A 46 46 LEU H H 43 9.234 9.313 -0.079 1
1 281 . 4 1 1 A 46 46 LEU HA H 43 5.382 4.997 0.385 1
1 291 . 4 1 1 A 46 46 LEU C C 43 176.639 175.566 1.073 1
1 292 . 4 1 1 A 46 46 LEU CA C 43 53.739 53.888 -0.149 1
1 293 . 4 1 1 A 46 46 LEU CB C 43 46.024 44.149 1.875 1
1 297 . 4 1 1 A 46 46 LEU N N 43 122.940 128.288 -5.348 1
1 298 . 4 1 1 A 47 47 PHE H H 44 9.048 9.131 -0.083 1
1 299 . 4 1 1 A 47 47 PHE HA H 44 5.700 5.667 0.033 1
1 306 . 4 1 1 A 47 47 PHE C C 44 173.708 173.718 -0.010 1
1 307 . 4 1 1 A 47 47 PHE CA C 44 56.494 56.414 0.080 1
1 308 . 4 1 1 A 47 47 PHE CB C 44 44.246 41.338 2.908 1
1 313 . 4 1 1 A 47 47 PHE N N 44 128.522 127.761 0.761 1
1 314 . 4 1 1 A 48 48 VAL H H 45 8.086 9.048 -0.962 1
1 315 . 4 1 1 A 48 48 VAL HA H 45 4.234 4.490 -0.256 1
1 323 . 4 1 1 A 48 48 VAL C C 45 173.728 174.650 -0.922 1
1 324 . 4 1 1 A 48 48 VAL CA C 45 61.110 60.808 0.302 1
1 325 . 4 1 1 A 48 48 VAL CB C 45 36.121 33.261 2.860 1
1 328 . 4 1 1 A 48 48 VAL N N 45 124.455 127.895 -3.440 1
1 329 . 4 1 1 A 49 49 GLN H H 46 8.391 8.847 -0.456 1
1 330 . 4 1 1 A 49 49 GLN HA H 46 4.155 4.758 -0.603 1
1 335 . 4 1 1 A 49 49 GLN C C 46 174.214 174.989 -0.775 1
1 336 . 4 1 1 A 49 49 GLN CA C 46 54.491 54.677 -0.186 1
1 337 . 4 1 1 A 49 49 GLN CB C 46 29.986 29.662 0.324 1
1 339 . 4 1 1 A 49 49 GLN N N 46 126.537 125.193 1.344 1
1 340 . 4 1 1 A 50 50 LEU H H 47 7.646 8.436 -0.790 1
1 341 . 4 1 1 A 50 50 LEU HA H 47 3.856 4.768 -0.912 1
1 351 . 4 1 1 A 50 50 LEU C C 47 175.649 176.449 -0.800 1
1 352 . 4 1 1 A 50 50 LEU CA C 47 53.706 51.793 1.913 1
1 353 . 4 1 1 A 50 50 LEU CB C 47 39.821 43.880 -4.059 1
1 357 . 4 1 1 A 50 50 LEU N N 47 127.637 124.610 3.027 1
1 358 . 4 1 1 A 51 51 PRO HA H 48 3.921 4.204 -0.283 1
1 365 . 4 1 1 A 51 51 PRO C C 48 177.492 176.074 1.418 1
1 366 . 4 1 1 A 51 51 PRO CA C 48 65.923 64.570 1.353 1
1 367 . 4 1 1 A 51 51 PRO CB C 48 31.509 31.617 -0.108 1
1 370 . 4 1 1 A 52 52 TYR H H 49 7.517 7.934 -0.417 1
1 371 . 4 1 1 A 52 52 TYR HA H 49 4.790 4.866 -0.076 1
1 378 . 4 1 1 A 52 52 TYR C C 49 175.214 175.033 0.181 1
1 379 . 4 1 1 A 52 52 TYR CA C 49 55.767 57.525 -1.758 1
1 380 . 4 1 1 A 52 52 TYR CB C 49 39.277 39.906 -0.629 1
1 385 . 4 1 1 A 52 52 TYR N N 49 109.643 115.836 -6.193 1
1 386 . 4 1 1 A 53 53 SER H H 50 6.986 7.800 -0.814 1
1 387 . 4 1 1 A 53 53 SER HA H 50 4.409 4.968 -0.559 1
1 390 . 4 1 1 A 53 53 SER C C 50 171.925 172.492 -0.567 1
1 391 . 4 1 1 A 53 53 SER CA C 50 57.189 57.406 -0.217 1
1 392 . 4 1 1 A 53 53 SER CB C 50 63.786 67.418 -3.632 1
1 393 . 4 1 1 A 53 53 SER N N 50 112.994 114.609 -1.615 1
1 394 . 4 1 1 A 54 54 GLU H H 51 7.890 9.023 -1.133 1
1 395 . 4 1 1 A 54 54 GLU HA H 51 4.903 5.176 -0.273 1
1 400 . 4 1 1 A 54 54 GLU C C 51 175.536 174.063 1.473 1
1 401 . 4 1 1 A 54 54 GLU CA C 51 54.722 55.120 -0.398 1
1 402 . 4 1 1 A 54 54 GLU CB C 51 33.225 33.595 -0.370 1
1 404 . 4 1 1 A 54 54 GLU N N 51 115.330 118.478 -3.148 1
1 405 . 4 1 1 A 55 55 ILE H H 52 8.600 9.205 -0.605 1
1 406 . 4 1 1 A 55 55 ILE HA H 52 4.302 4.813 -0.511 1
1 416 . 4 1 1 A 55 55 ILE C C 52 175.783 175.515 0.268 1
1 417 . 4 1 1 A 55 55 ILE CA C 52 60.360 60.011 0.349 1
1 418 . 4 1 1 A 55 55 ILE CB C 52 39.228 39.137 0.091 1
1 422 . 4 1 1 A 55 55 ILE N N 52 122.129 123.643 -1.514 1
1 423 . 4 1 1 A 56 56 GLN H H 53 8.573 8.912 -0.339 1
1 424 . 4 1 1 A 56 56 GLN HA H 53 5.394 5.769 -0.375 1
1 429 . 4 1 1 A 56 56 GLN C C 53 174.379 174.478 -0.099 1
1 430 . 4 1 1 A 56 56 GLN CA C 53 54.790 54.522 0.268 1
1 431 . 4 1 1 A 56 56 GLN CB C 53 33.315 32.366 0.949 1
1 433 . 4 1 1 A 56 56 GLN N N 53 126.768 125.611 1.157 1
1 434 . 4 1 1 A 57 57 GLU H H 54 7.782 8.628 -0.846 1
1 435 . 4 1 1 A 57 57 GLU HA H 54 4.967 4.984 -0.017 1
1 440 . 4 1 1 A 57 57 GLU C C 54 176.345 174.742 1.603 1
1 441 . 4 1 1 A 57 57 GLU CA C 54 55.405 55.076 0.329 1
1 442 . 4 1 1 A 57 57 GLU CB C 54 36.080 32.554 3.526 1
1 444 . 4 1 1 A 57 57 GLU N N 54 117.990 120.743 -2.753 1
1 445 . 4 1 1 A 58 58 CYS H H 55 8.780 8.485 0.295 1
1 446 . 4 1 1 A 58 58 CYS HA H 55 5.145 5.040 0.105 1
1 449 . 4 1 1 A 58 58 CYS C C 55 175.293 173.937 1.356 1
1 450 . 4 1 1 A 58 58 CYS CA C 55 57.749 55.150 2.599 1
1 451 . 4 1 1 A 58 58 CYS CB C 55 45.523 42.837 2.686 1
1 452 . 4 1 1 A 58 58 CYS N N 55 119.662 119.566 0.096 1
1 453 . 4 1 1 A 59 59 LYS H H 56 9.277 8.492 0.785 1
1 454 . 4 1 1 A 59 59 LYS HA H 56 4.896 5.022 -0.126 1
1 463 . 4 1 1 A 59 59 LYS C C 56 176.049 176.278 -0.229 1
1 464 . 4 1 1 A 59 59 LYS CA C 56 53.903 54.453 -0.550 1
1 465 . 4 1 1 A 59 59 LYS CB C 56 40.637 35.574 5.063 1
1 469 . 4 1 1 A 59 59 LYS N N 56 120.535 125.399 -4.864 1
1 470 . 4 1 1 A 60 60 THR H H 57 7.997 8.639 -0.642 1
1 471 . 4 1 1 A 60 60 THR HA H 57 4.876 4.460 0.416 1
1 476 . 4 1 1 A 60 60 THR C C 57 175.637 176.357 -0.720 1
1 477 . 4 1 1 A 60 60 THR CA C 57 61.017 61.398 -0.381 1
1 478 . 4 1 1 A 60 60 THR CB C 57 70.774 70.520 0.254 1
1 480 . 4 1 1 A 60 60 THR N N 57 108.910 114.010 -5.100 1
1 481 . 4 1 1 A 61 61 VAL H H 58 8.689 8.734 -0.045 1
1 482 . 4 1 1 A 61 61 VAL HA H 58 3.477 3.650 -0.173 1
1 490 . 4 1 1 A 61 61 VAL C C 58 178.541 177.691 0.850 1
1 491 . 4 1 1 A 61 61 VAL CA C 58 67.024 66.720 0.304 1
1 492 . 4 1 1 A 61 61 VAL CB C 58 31.751 31.346 0.405 1
1 495 . 4 1 1 A 61 61 VAL N N 58 121.313 122.710 -1.397 1
1 496 . 4 1 1 A 62 62 GLN H H 59 8.564 8.047 0.517 1
1 497 . 4 1 1 A 62 62 GLN HA H 59 4.062 4.004 0.058 1
1 502 . 4 1 1 A 62 62 GLN C C 59 178.871 178.593 0.278 1
1 503 . 4 1 1 A 62 62 GLN CA C 59 58.993 59.178 -0.185 1
1 504 . 4 1 1 A 62 62 GLN CB C 59 28.085 28.337 -0.252 1
1 506 . 4 1 1 A 62 62 GLN N N 59 119.395 119.107 0.288 1
1 507 . 4 1 1 A 63 63 GLN H H 60 7.644 8.427 -0.783 1
1 508 . 4 1 1 A 63 63 GLN HA H 60 4.082 4.641 -0.559 1
1 513 . 4 1 1 A 63 63 GLN C C 60 179.023 178.017 1.006 1
1 514 . 4 1 1 A 63 63 GLN CA C 60 58.106 58.750 -0.644 1
1 515 . 4 1 1 A 63 63 GLN CB C 60 29.283 28.583 0.700 1
1 517 . 4 1 1 A 63 63 GLN N N 60 116.638 118.230 -1.592 1
1 518 . 4 1 1 A 64 64 CYS H H 61 8.543 8.696 -0.153 1
1 519 . 4 1 1 A 64 64 CYS HA H 61 3.951 4.411 -0.460 1
1 522 . 4 1 1 A 64 64 CYS C C 61 176.171 176.171 0.000 1
1 523 . 4 1 1 A 64 64 CYS CA C 61 64.735 58.908 5.827 1
1 524 . 4 1 1 A 64 64 CYS CB C 61 40.828 42.086 -1.258 1
1 525 . 4 1 1 A 64 64 CYS N N 61 118.614 117.842 0.772 1
1 526 . 4 1 1 A 65 65 ALA H H 62 7.791 7.734 0.057 1
1 527 . 4 1 1 A 65 65 ALA HA H 62 4.021 4.025 -0.004 1
1 531 . 4 1 1 A 65 65 ALA C C 62 180.353 179.503 0.850 1
1 532 . 4 1 1 A 65 65 ALA CA C 62 55.249 55.315 -0.066 1
1 533 . 4 1 1 A 65 65 ALA CB C 62 18.069 17.918 0.151 1
1 534 . 4 1 1 A 65 65 ALA N N 62 119.479 123.384 -3.905 1
1 535 . 4 1 1 A 66 66 GLU H H 63 7.685 7.961 -0.276 1
1 536 . 4 1 1 A 66 66 GLU HA H 63 4.041 4.075 -0.034 1
1 541 . 4 1 1 A 66 66 GLU C C 63 179.701 179.106 0.595 1
1 542 . 4 1 1 A 66 66 GLU CA C 63 59.440 59.632 -0.192 1
1 543 . 4 1 1 A 66 66 GLU CB C 63 29.735 29.361 0.374 1
1 545 . 4 1 1 A 66 66 GLU N N 63 117.981 118.506 -0.525 1
1 546 . 4 1 1 A 67 67 VAL H H 64 7.795 8.229 -0.434 1
1 547 . 4 1 1 A 67 67 VAL HA H 64 3.826 4.480 -0.654 1
1 555 . 4 1 1 A 67 67 VAL C C 64 178.078 178.040 0.038 1
1 556 . 4 1 1 A 67 67 VAL CA C 64 66.262 65.819 0.443 1
1 557 . 4 1 1 A 67 67 VAL CB C 64 31.703 31.301 0.402 1
1 560 . 4 1 1 A 67 67 VAL N N 64 120.422 116.574 3.848 1
1 561 . 4 1 1 A 68 68 LEU H H 65 8.563 8.208 0.355 1
1 562 . 4 1 1 A 68 68 LEU HA H 65 3.897 3.955 -0.058 1
1 572 . 4 1 1 A 68 68 LEU C C 65 180.593 178.271 2.322 1
1 573 . 4 1 1 A 68 68 LEU CA C 65 58.495 58.732 -0.237 1
1 574 . 4 1 1 A 68 68 LEU CB C 65 41.633 41.453 0.180 1
1 578 . 4 1 1 A 68 68 LEU N N 65 119.314 125.374 -6.060 1
1 579 . 4 1 1 A 69 69 GLU H H 66 8.071 7.855 0.216 1
1 580 . 4 1 1 A 69 69 GLU HA H 66 3.947 3.998 -0.051 1
1 585 . 4 1 1 A 69 69 GLU C C 66 178.591 178.328 0.263 1
1 586 . 4 1 1 A 69 69 GLU CA C 66 59.727 59.094 0.633 1
1 587 . 4 1 1 A 69 69 GLU CB C 66 29.549 29.081 0.468 1
1 589 . 4 1 1 A 69 69 GLU N N 66 120.124 118.645 1.479 1
1 590 . 4 1 1 A 70 70 GLU H H 67 7.471 8.036 -0.565 1
1 591 . 4 1 1 A 70 70 GLU HA H 67 4.111 4.100 0.011 1
1 596 . 4 1 1 A 70 70 GLU C C 67 179.873 178.295 1.578 1
1 597 . 4 1 1 A 70 70 GLU CA C 67 59.439 59.245 0.194 1
1 598 . 4 1 1 A 70 70 GLU CB C 67 30.021 29.355 0.666 1
1 600 . 4 1 1 A 70 70 GLU N N 67 119.545 117.752 1.793 1
1 601 . 4 1 1 A 71 71 VAL H H 68 8.790 7.409 1.381 1
1 602 . 4 1 1 A 71 71 VAL HA H 68 4.137 3.916 0.221 1
1 610 . 4 1 1 A 71 71 VAL C C 68 178.818 178.500 0.318 1
1 611 . 4 1 1 A 71 71 VAL CA C 68 64.321 65.581 -1.260 1
1 612 . 4 1 1 A 71 71 VAL CB C 68 31.230 31.590 -0.360 1
1 615 . 4 1 1 A 71 71 VAL N N 68 111.497 116.432 -4.935 1
1 616 . 4 1 1 A 72 72 THR H H 69 8.231 7.992 0.239 1
1 617 . 4 1 1 A 72 72 THR HA H 69 4.161 4.143 0.018 1
1 622 . 4 1 1 A 72 72 THR C C 69 177.502 177.010 0.492 1
1 623 . 4 1 1 A 72 72 THR CA C 69 66.179 66.230 -0.051 1
1 624 . 4 1 1 A 72 72 THR CB C 69 68.770 68.466 0.304 1
1 626 . 4 1 1 A 72 72 THR N N 69 118.078 116.963 1.115 1
1 627 . 4 1 1 A 73 73 ALA H H 70 7.177 8.400 -1.223 1
1 628 . 4 1 1 A 73 73 ALA HA H 70 4.139 4.159 -0.020 1
1 632 . 4 1 1 A 73 73 ALA C C 70 179.116 178.581 0.535 1
1 633 . 4 1 1 A 73 73 ALA CA C 70 54.690 54.474 0.216 1
1 634 . 4 1 1 A 73 73 ALA CB C 70 18.039 18.300 -0.261 1
1 635 . 4 1 1 A 73 73 ALA N N 70 123.757 122.739 1.018 1
1 636 . 4 1 1 A 74 74 ILE H H 71 6.874 7.431 -0.557 1
1 637 . 4 1 1 A 74 74 ILE HA H 71 3.988 4.114 -0.126 1
1 647 . 4 1 1 A 74 74 ILE C C 71 176.201 175.876 0.325 1
1 648 . 4 1 1 A 74 74 ILE CA C 71 61.927 61.570 0.357 1
1 649 . 4 1 1 A 74 74 ILE CB C 71 38.431 38.481 -0.050 1
1 653 . 4 1 1 A 74 74 ILE N N 71 113.131 115.294 -2.163 1
1 654 . 4 1 1 A 75 75 GLY H H 72 7.476 7.660 -0.184 1
1 655 . 4 1 1 A 75 75 GLY HA2 H 72 3.663 3.826 -0.163 1
1 656 . 4 1 1 A 75 75 GLY HA3 H 72 4.166 3.939 0.227 1
1 657 . 4 1 1 A 75 75 GLY C C 72 174.832 173.808 1.024 1
1 658 . 4 1 1 A 75 75 GLY CA C 72 45.144 44.755 0.389 1
1 659 . 4 1 1 A 75 75 GLY N N 72 106.405 108.038 -1.633 1
1 660 . 4 1 1 A 76 76 TYR H H 73 7.340 7.903 -0.563 1
1 661 . 4 1 1 A 76 76 TYR HA H 73 5.184 4.606 0.578 1
1 668 . 4 1 1 A 76 76 TYR C C 73 173.889 174.430 -0.541 1
1 669 . 4 1 1 A 76 76 TYR CA C 73 52.922 56.330 -3.408 1
1 670 . 4 1 1 A 76 76 TYR CB C 73 36.723 38.756 -2.033 1
1 675 . 4 1 1 A 76 76 TYR N N 73 122.416 120.716 1.700 1
1 676 . 4 1 1 A 77 77 PRO HA H 74 4.394 4.509 -0.115 1
1 683 . 4 1 1 A 77 77 PRO C C 74 175.722 176.296 -0.574 1
1 684 . 4 1 1 A 77 77 PRO CA C 74 63.242 63.126 0.116 1
1 685 . 4 1 1 A 77 77 PRO CB C 74 32.460 31.995 0.465 1
1 688 . 4 1 1 A 78 78 ALA H H 75 7.778 8.370 -0.592 1
1 689 . 4 1 1 A 78 78 ALA HA H 75 5.239 5.108 0.131 1
1 693 . 4 1 1 A 78 78 ALA C C 75 176.207 175.329 0.878 1
1 694 . 4 1 1 A 78 78 ALA CA C 75 51.422 50.606 0.816 1
1 695 . 4 1 1 A 78 78 ALA CB C 75 25.258 24.136 1.122 1
1 696 . 4 1 1 A 78 78 ALA N N 75 122.638 123.682 -1.044 1
1 697 . 4 1 1 A 79 79 LYS H H 76 9.213 8.959 0.254 1
1 698 . 4 1 1 A 79 79 LYS HA H 76 4.632 5.084 -0.452 1
1 707 . 4 1 1 A 79 79 LYS C C 76 173.669 174.659 -0.990 1
1 708 . 4 1 1 A 79 79 LYS CA C 76 55.912 54.897 1.015 1
1 709 . 4 1 1 A 79 79 LYS CB C 76 36.309 36.238 0.071 1
1 713 . 4 1 1 A 79 79 LYS N N 76 115.751 115.306 0.445 1
1 714 . 4 1 1 A 80 80 CYS H H 77 8.602 9.094 -0.492 1
1 715 . 4 1 1 A 80 80 CYS HA H 77 5.535 6.156 -0.621 1
1 718 . 4 1 1 A 80 80 CYS C C 77 174.029 172.514 1.515 1
1 719 . 4 1 1 A 80 80 CYS CA C 77 56.029 55.132 0.897 1
1 720 . 4 1 1 A 80 80 CYS CB C 77 47.796 43.984 3.812 1
1 721 . 4 1 1 A 80 80 CYS N N 77 119.633 117.523 2.110 1
1 722 . 4 1 1 A 81 81 CYS H H 78 9.428 9.090 0.338 1
1 723 . 4 1 1 A 81 81 CYS HA H 78 5.391 5.570 -0.179 1
1 726 . 4 1 1 A 81 81 CYS C C 78 173.980 172.461 1.519 1
1 727 . 4 1 1 A 81 81 CYS CA C 78 54.237 53.879 0.358 1
1 728 . 4 1 1 A 81 81 CYS CB C 78 47.557 45.804 1.753 1
1 729 . 4 1 1 A 81 81 CYS N N 78 120.091 122.696 -2.605 1
1 730 . 4 1 1 A 82 82 CYS H H 79 9.291 8.905 0.386 1
1 731 . 4 1 1 A 82 82 CYS HA H 79 5.134 5.433 -0.299 1
1 734 . 4 1 1 A 82 82 CYS C C 79 172.349 173.597 -1.248 1
1 735 . 4 1 1 A 82 82 CYS CA C 79 56.628 57.488 -0.860 1
1 736 . 4 1 1 A 82 82 CYS CB C 79 46.122 28.849 17.273 1
1 737 . 4 1 1 A 82 82 CYS N N 79 117.137 120.977 -3.840 1
1 738 . 4 1 1 A 83 83 GLU H H 80 7.283 8.549 -1.266 1
1 739 . 4 1 1 A 83 83 GLU HA H 80 4.625 4.666 -0.041 1
1 744 . 4 1 1 A 83 83 GLU C C 80 174.435 174.470 -0.035 1
1 745 . 4 1 1 A 83 83 GLU CA C 80 54.873 56.140 -1.267 1
1 746 . 4 1 1 A 83 83 GLU CB C 80 33.106 33.668 -0.562 1
1 748 . 4 1 1 A 83 83 GLU N N 80 120.821 124.510 -3.689 1
1 749 . 4 1 1 A 84 84 ASP H H 81 8.433 8.726 -0.293 1
1 750 . 4 1 1 A 84 84 ASP HA H 81 4.956 4.345 0.611 1
1 753 . 4 1 1 A 84 84 ASP C C 81 178.149 176.815 1.334 1
1 754 . 4 1 1 A 84 84 ASP CA C 81 55.409 55.201 0.208 1
1 755 . 4 1 1 A 84 84 ASP CB C 81 40.817 41.021 -0.204 1
1 756 . 4 1 1 A 84 84 ASP N N 81 121.789 124.752 -2.963 1
1 757 . 4 1 1 A 85 85 LEU H H 82 9.244 9.096 0.148 1
1 758 . 4 1 1 A 85 85 LEU HA H 82 3.308 4.267 -0.959 1
1 765 . 4 1 1 A 85 85 LEU C C 82 176.858 177.045 -0.187 1
1 766 . 4 1 1 A 85 85 LEU CA C 82 56.047 56.586 -0.539 1
1 767 . 4 1 1 A 85 85 LEU CB C 82 36.885 39.675 -2.790 1
1 770 . 4 1 1 A 85 85 LEU N N 82 114.422 117.463 -3.041 1
1 771 . 4 1 1 A 86 86 CYS H H 83 8.005 7.771 0.234 1
1 772 . 4 1 1 A 86 86 CYS HA H 83 4.547 4.341 0.206 1
1 775 . 4 1 1 A 86 86 CYS C C 83 174.632 176.080 -1.448 1
1 776 . 4 1 1 A 86 86 CYS CA C 83 57.206 59.363 -2.157 1
1 777 . 4 1 1 A 86 86 CYS CB C 83 47.155 42.184 4.971 1
1 778 . 4 1 1 A 86 86 CYS N N 83 112.558 115.965 -3.407 1
1 779 . 4 1 1 A 87 87 ASN H H 84 8.859 8.535 0.324 1
1 780 . 4 1 1 A 87 87 ASN HA H 84 4.526 4.470 0.056 1
1 783 . 4 1 1 A 87 87 ASN C C 84 172.146 177.225 -5.079 1
1 784 . 4 1 1 A 87 87 ASN CA C 84 52.617 54.180 -1.563 1
1 785 . 4 1 1 A 87 87 ASN CB C 84 36.673 37.035 -0.362 1
1 786 . 4 1 1 A 87 87 ASN N N 84 119.985 117.681 2.304 1
1 787 . 4 1 1 A 88 88 ARG H H 85 7.353 7.563 -0.210 1
1 788 . 4 1 1 A 88 88 ARG HA H 85 3.734 3.740 -0.006 1
1 795 . 4 1 1 A 88 88 ARG C C 85 173.901 175.491 -1.590 1
1 796 . 4 1 1 A 88 88 ARG CA C 85 55.058 58.024 -2.966 1
1 797 . 4 1 1 A 88 88 ARG CB C 85 31.857 30.716 1.141 1
1 800 . 4 1 1 A 88 88 ARG N N 85 118.446 120.907 -2.461 1
1 801 . 4 1 1 A 89 89 SER H H 86 7.987 7.202 0.785 1
1 802 . 4 1 1 A 89 89 SER HA H 86 3.689 4.286 -0.597 1
1 805 . 4 1 1 A 89 89 SER C C 86 174.342 174.226 0.116 1
1 806 . 4 1 1 A 89 89 SER CA C 86 57.844 56.850 0.994 1
1 807 . 4 1 1 A 89 89 SER CB C 86 63.504 65.189 -1.685 1
1 808 . 4 1 1 A 89 89 SER N N 86 115.514 108.150 7.364 1
1 809 . 4 1 1 A 90 90 GLU H H 87 8.461 8.834 -0.373 1
1 810 . 4 1 1 A 90 90 GLU HA H 87 4.125 4.255 -0.130 1
1 815 . 4 1 1 A 90 90 GLU C C 87 175.632 176.418 -0.786 1
1 816 . 4 1 1 A 90 90 GLU CA C 87 56.799 57.344 -0.545 1
1 817 . 4 1 1 A 90 90 GLU CB C 87 30.049 29.441 0.608 1
1 819 . 4 1 1 A 90 90 GLU N N 87 122.917 121.328 1.589 1
1 16 . 5 1 1 A 22 22 ALA H H 19 8.052 8.662 -0.610 1
1 17 . 5 1 1 A 22 22 ALA HA H 19 4.191 4.372 -0.181 1
1 21 . 5 1 1 A 22 22 ALA C C 19 176.151 175.549 0.602 1
1 22 . 5 1 1 A 22 22 ALA CA C 19 51.960 54.373 -2.413 1
1 23 . 5 1 1 A 22 22 ALA CB C 19 19.784 18.112 1.672 1
1 24 . 5 1 1 A 22 22 ALA N N 19 125.891 118.651 7.240 1
1 25 . 5 1 1 A 23 23 LEU H H 20 8.117 7.963 0.154 1
1 26 . 5 1 1 A 23 23 LEU HA H 20 4.273 4.731 -0.458 1
1 36 . 5 1 1 A 23 23 LEU C C 20 174.307 174.347 -0.040 1
1 37 . 5 1 1 A 23 23 LEU CA C 20 54.838 53.911 0.927 1
1 38 . 5 1 1 A 23 23 LEU CB C 20 44.574 44.726 -0.152 1
1 42 . 5 1 1 A 23 23 LEU N N 20 125.488 120.471 5.017 1
1 43 . 5 1 1 A 24 24 LYS H H 21 7.915 8.812 -0.897 1
1 44 . 5 1 1 A 24 24 LYS HA H 21 5.287 5.115 0.172 1
1 53 . 5 1 1 A 24 24 LYS C C 21 175.901 175.503 0.398 1
1 54 . 5 1 1 A 24 24 LYS CA C 21 54.174 54.938 -0.764 1
1 55 . 5 1 1 A 24 24 LYS CB C 21 34.841 33.870 0.971 1
1 59 . 5 1 1 A 24 24 LYS N N 21 122.369 122.469 -0.100 1
1 60 . 5 1 1 A 25 25 CYS H H 22 8.426 8.163 0.263 1
1 61 . 5 1 1 A 25 25 CYS HA H 22 4.886 5.254 -0.368 1
1 64 . 5 1 1 A 25 25 CYS C C 22 175.309 172.518 2.791 1
1 65 . 5 1 1 A 25 25 CYS CA C 22 51.680 54.647 -2.967 1
1 66 . 5 1 1 A 25 25 CYS CB C 22 41.829 47.621 -5.792 1
1 67 . 5 1 1 A 25 25 CYS N N 22 117.505 122.148 -4.643 1
1 68 . 5 1 1 A 26 26 PHE H H 23 8.960 9.132 -0.172 1
1 69 . 5 1 1 A 26 26 PHE HA H 23 5.057 4.929 0.128 1
1 74 . 5 1 1 A 26 26 PHE C C 23 176.694 175.765 0.929 1
1 75 . 5 1 1 A 26 26 PHE CA C 23 60.302 57.773 2.529 1
1 76 . 5 1 1 A 26 26 PHE CB C 23 39.490 40.065 -0.575 1
1 79 . 5 1 1 A 26 26 PHE N N 23 120.038 121.919 -1.881 1
1 80 . 5 1 1 A 27 27 THR H H 24 9.071 9.383 -0.312 1
1 81 . 5 1 1 A 27 27 THR HA H 24 4.960 5.357 -0.397 1
1 86 . 5 1 1 A 27 27 THR C C 24 173.722 172.979 0.743 1
1 87 . 5 1 1 A 27 27 THR CA C 24 59.835 61.487 -1.652 1
1 88 . 5 1 1 A 27 27 THR CB C 24 71.382 71.210 0.172 1
1 90 . 5 1 1 A 27 27 THR N N 24 114.266 118.186 -3.920 1
1 91 . 5 1 1 A 28 28 ARG H H 25 8.398 8.819 -0.421 1
1 92 . 5 1 1 A 28 28 ARG HA H 25 5.158 4.853 0.305 1
1 99 . 5 1 1 A 28 28 ARG C C 25 175.547 175.137 0.410 1
1 100 . 5 1 1 A 28 28 ARG CA C 25 54.586 55.873 -1.287 1
1 101 . 5 1 1 A 28 28 ARG CB C 25 32.443 31.149 1.294 1
1 104 . 5 1 1 A 28 28 ARG N N 25 123.189 128.085 -4.896 1
1 105 . 5 1 1 A 29 29 ASN H H 26 8.589 8.341 0.248 1
1 106 . 5 1 1 A 29 29 ASN HA H 26 4.938 5.087 -0.149 1
1 109 . 5 1 1 A 29 29 ASN C C 26 175.273 175.499 -0.226 1
1 110 . 5 1 1 A 29 29 ASN CA C 26 52.276 51.991 0.285 1
1 111 . 5 1 1 A 29 29 ASN CB C 26 39.660 39.491 0.169 1
1 112 . 5 1 1 A 29 29 ASN N N 26 125.242 126.178 -0.936 1
1 113 . 5 1 1 A 30 30 GLY H H 27 9.046 8.892 0.154 1
1 114 . 5 1 1 A 30 30 GLY HA2 H 27 3.649 3.869 -0.220 1
1 115 . 5 1 1 A 30 30 GLY HA3 H 27 3.996 3.872 0.124 1
1 116 . 5 1 1 A 30 30 GLY C C 27 174.707 174.393 0.314 1
1 117 . 5 1 1 A 30 30 GLY CA C 27 46.906 47.176 -0.270 1
1 118 . 5 1 1 A 30 30 GLY N N 27 115.613 115.308 0.305 1
1 119 . 5 1 1 A 31 31 ASP H H 28 8.956 8.587 0.369 1
1 120 . 5 1 1 A 31 31 ASP HA H 28 4.648 4.467 0.181 1
1 123 . 5 1 1 A 31 31 ASP C C 28 175.670 175.484 0.186 1
1 124 . 5 1 1 A 31 31 ASP CA C 28 54.939 56.398 -1.459 1
1 125 . 5 1 1 A 31 31 ASP CB C 28 41.505 40.599 0.906 1
1 126 . 5 1 1 A 31 31 ASP N N 28 126.791 125.610 1.181 1
1 127 . 5 1 1 A 32 32 ASP H H 29 7.973 8.225 -0.252 1
1 128 . 5 1 1 A 32 32 ASP HA H 29 4.778 5.034 -0.256 1
1 131 . 5 1 1 A 32 32 ASP C C 29 174.871 174.460 0.411 1
1 132 . 5 1 1 A 32 32 ASP CA C 29 54.192 52.626 1.566 1
1 133 . 5 1 1 A 32 32 ASP CB C 29 42.663 44.359 -1.696 1
1 134 . 5 1 1 A 32 32 ASP N N 29 120.240 118.580 1.660 1
1 135 . 5 1 1 A 33 33 ARG H H 30 8.682 8.319 0.363 1
1 136 . 5 1 1 A 33 33 ARG HA H 30 5.020 4.731 0.289 1
1 143 . 5 1 1 A 33 33 ARG C C 30 175.569 176.446 -0.877 1
1 144 . 5 1 1 A 33 33 ARG CA C 30 55.487 56.141 -0.654 1
1 145 . 5 1 1 A 33 33 ARG CB C 30 31.962 31.022 0.940 1
1 148 . 5 1 1 A 33 33 ARG N N 30 125.183 121.511 3.672 1
1 149 . 5 1 1 A 34 34 THR H H 31 8.976 8.754 0.222 1
1 150 . 5 1 1 A 34 34 THR HA H 31 4.764 5.073 -0.309 1
1 155 . 5 1 1 A 34 34 THR C C 31 172.745 174.171 -1.426 1
1 156 . 5 1 1 A 34 34 THR CA C 31 59.891 60.173 -0.282 1
1 157 . 5 1 1 A 34 34 THR CB C 31 71.522 70.546 0.976 1
1 159 . 5 1 1 A 34 34 THR N N 31 120.162 116.416 3.746 1
1 160 . 5 1 1 A 35 35 VAL H H 32 8.286 8.635 -0.349 1
1 161 . 5 1 1 A 35 35 VAL HA H 32 4.110 3.948 0.162 1
1 169 . 5 1 1 A 35 35 VAL C C 32 175.720 175.804 -0.084 1
1 170 . 5 1 1 A 35 35 VAL CA C 32 62.838 63.105 -0.267 1
1 171 . 5 1 1 A 35 35 VAL CB C 32 32.883 31.097 1.786 1
1 174 . 5 1 1 A 35 35 VAL N N 32 122.209 124.157 -1.948 1
1 175 . 5 1 1 A 36 36 THR H H 33 8.749 8.688 0.061 1
1 176 . 5 1 1 A 36 36 THR HA H 33 4.486 5.023 -0.537 1
1 181 . 5 1 1 A 36 36 THR C C 33 173.029 173.189 -0.160 1
1 182 . 5 1 1 A 36 36 THR CA C 33 61.029 59.934 1.095 1
1 183 . 5 1 1 A 36 36 THR CB C 33 71.425 70.603 0.822 1
1 185 . 5 1 1 A 36 36 THR N N 33 125.259 118.308 6.951 1
1 186 . 5 1 1 A 37 37 THR H H 34 8.544 8.699 -0.155 1
1 187 . 5 1 1 A 37 37 THR HA H 34 4.371 4.730 -0.359 1
1 192 . 5 1 1 A 37 37 THR C C 34 173.839 173.043 0.796 1
1 193 . 5 1 1 A 37 37 THR CA C 34 62.892 60.829 2.063 1
1 194 . 5 1 1 A 37 37 THR CB C 34 68.156 69.118 -0.962 1
1 196 . 5 1 1 A 37 37 THR N N 34 122.774 118.382 4.392 1
1 197 . 5 1 1 A 38 38 CYS H H 35 9.227 9.251 -0.024 1
1 198 . 5 1 1 A 38 38 CYS HA H 35 4.516 5.058 -0.542 1
1 201 . 5 1 1 A 38 38 CYS C C 35 174.923 174.099 0.824 1
1 202 . 5 1 1 A 38 38 CYS CA C 35 52.962 54.898 -1.936 1
1 203 . 5 1 1 A 38 38 CYS CB C 35 37.439 43.043 -5.604 1
1 204 . 5 1 1 A 38 38 CYS N N 35 129.056 127.785 1.271 1
1 205 . 5 1 1 A 39 39 ALA H H 36 8.113 9.058 -0.945 1
1 206 . 5 1 1 A 39 39 ALA HA H 36 4.313 4.552 -0.239 1
1 210 . 5 1 1 A 39 39 ALA C C 36 178.809 178.579 0.230 1
1 211 . 5 1 1 A 39 39 ALA CA C 36 52.125 51.698 0.427 1
1 212 . 5 1 1 A 39 39 ALA CB C 36 19.235 20.317 -1.082 1
1 213 . 5 1 1 A 39 39 ALA N N 36 122.621 126.020 -3.399 1
1 214 . 5 1 1 A 40 40 GLU H H 37 8.701 8.838 -0.137 1
1 215 . 5 1 1 A 40 40 GLU HA H 37 3.826 3.945 -0.119 1
1 220 . 5 1 1 A 40 40 GLU C C 37 177.999 178.442 -0.443 1
1 221 . 5 1 1 A 40 40 GLU CA C 37 60.104 59.731 0.373 1
1 222 . 5 1 1 A 40 40 GLU CB C 37 29.712 29.338 0.374 1
1 224 . 5 1 1 A 40 40 GLU N N 37 120.905 118.059 2.846 1
1 225 . 5 1 1 A 41 41 GLU H H 38 8.870 8.997 -0.127 1
1 226 . 5 1 1 A 41 41 GLU HA H 38 4.233 4.111 0.122 1
1 231 . 5 1 1 A 41 41 GLU C C 38 176.790 177.556 -0.766 1
1 232 . 5 1 1 A 41 41 GLU CA C 38 57.438 59.245 -1.807 1
1 233 . 5 1 1 A 41 41 GLU CB C 38 28.813 29.182 -0.369 1
1 235 . 5 1 1 A 41 41 GLU N N 38 113.838 118.323 -4.485 1
1 236 . 5 1 1 A 42 42 GLN H H 39 7.935 7.900 0.035 1
1 237 . 5 1 1 A 42 42 GLN HA H 39 4.069 4.595 -0.526 1
1 242 . 5 1 1 A 42 42 GLN C C 39 174.033 176.452 -2.419 1
1 243 . 5 1 1 A 42 42 GLN CA C 39 55.177 54.609 0.568 1
1 244 . 5 1 1 A 42 42 GLN CB C 39 28.144 26.801 1.343 1
1 246 . 5 1 1 A 42 42 GLN N N 39 120.919 118.632 2.287 1
1 247 . 5 1 1 A 43 43 THR H H 40 6.846 7.392 -0.546 1
1 248 . 5 1 1 A 43 43 THR HA H 40 4.340 4.388 -0.048 1
1 253 . 5 1 1 A 43 43 THR C C 40 175.221 173.627 1.594 1
1 254 . 5 1 1 A 43 43 THR CA C 40 60.677 62.315 -1.638 1
1 255 . 5 1 1 A 43 43 THR CB C 40 68.516 69.171 -0.655 1
1 257 . 5 1 1 A 43 43 THR N N 40 109.859 112.707 -2.848 1
1 258 . 5 1 1 A 44 44 ARG H H 41 8.496 7.720 0.776 1
1 259 . 5 1 1 A 44 44 ARG HA H 41 5.001 4.743 0.258 1
1 266 . 5 1 1 A 44 44 ARG C C 41 174.082 175.423 -1.341 1
1 267 . 5 1 1 A 44 44 ARG CA C 41 52.838 54.208 -1.370 1
1 268 . 5 1 1 A 44 44 ARG CB C 41 34.466 33.357 1.109 1
1 271 . 5 1 1 A 44 44 ARG N N 41 122.000 120.202 1.798 1
1 272 . 5 1 1 A 45 45 CYS H H 42 8.814 8.995 -0.181 1
1 273 . 5 1 1 A 45 45 CYS HA H 42 5.566 5.224 0.342 1
1 276 . 5 1 1 A 45 45 CYS C C 42 173.806 171.993 1.813 1
1 277 . 5 1 1 A 45 45 CYS CA C 42 51.956 55.491 -3.535 1
1 278 . 5 1 1 A 45 45 CYS CB C 42 38.526 46.471 -7.945 1
1 279 . 5 1 1 A 45 45 CYS N N 42 115.378 118.423 -3.045 1
1 280 . 5 1 1 A 46 46 LEU H H 43 9.234 9.438 -0.204 1
1 281 . 5 1 1 A 46 46 LEU HA H 43 5.382 4.985 0.397 1
1 291 . 5 1 1 A 46 46 LEU C C 43 176.639 175.544 1.095 1
1 292 . 5 1 1 A 46 46 LEU CA C 43 53.739 54.089 -0.350 1
1 293 . 5 1 1 A 46 46 LEU CB C 43 46.024 44.226 1.798 1
1 297 . 5 1 1 A 46 46 LEU N N 43 122.940 128.200 -5.260 1
1 298 . 5 1 1 A 47 47 PHE H H 44 9.048 9.124 -0.076 1
1 299 . 5 1 1 A 47 47 PHE HA H 44 5.700 5.565 0.135 1
1 306 . 5 1 1 A 47 47 PHE C C 44 173.708 173.667 0.041 1
1 307 . 5 1 1 A 47 47 PHE CA C 44 56.494 56.391 0.103 1
1 308 . 5 1 1 A 47 47 PHE CB C 44 44.246 41.884 2.362 1
1 313 . 5 1 1 A 47 47 PHE N N 44 128.522 127.250 1.272 1
1 314 . 5 1 1 A 48 48 VAL H H 45 8.086 9.339 -1.253 1
1 315 . 5 1 1 A 48 48 VAL HA H 45 4.234 4.600 -0.366 1
1 323 . 5 1 1 A 48 48 VAL C C 45 173.728 173.688 0.040 1
1 324 . 5 1 1 A 48 48 VAL CA C 45 61.110 60.725 0.385 1
1 325 . 5 1 1 A 48 48 VAL CB C 45 36.121 33.883 2.238 1
1 328 . 5 1 1 A 48 48 VAL N N 45 124.455 127.288 -2.833 1
1 329 . 5 1 1 A 49 49 GLN H H 46 8.391 9.355 -0.964 1
1 330 . 5 1 1 A 49 49 GLN HA H 46 4.155 4.407 -0.252 1
1 335 . 5 1 1 A 49 49 GLN C C 46 174.214 174.711 -0.497 1
1 336 . 5 1 1 A 49 49 GLN CA C 46 54.491 54.599 -0.108 1
1 337 . 5 1 1 A 49 49 GLN CB C 46 29.986 30.263 -0.277 1
1 339 . 5 1 1 A 49 49 GLN N N 46 126.537 127.696 -1.159 1
1 340 . 5 1 1 A 50 50 LEU H H 47 7.646 8.611 -0.965 1
1 341 . 5 1 1 A 50 50 LEU HA H 47 3.856 4.695 -0.839 1
1 351 . 5 1 1 A 50 50 LEU C C 47 175.649 176.503 -0.854 1
1 352 . 5 1 1 A 50 50 LEU CA C 47 53.706 51.825 1.881 1
1 353 . 5 1 1 A 50 50 LEU CB C 47 39.821 42.928 -3.107 1
1 357 . 5 1 1 A 50 50 LEU N N 47 127.637 127.827 -0.190 1
1 358 . 5 1 1 A 51 51 PRO HA H 48 3.921 4.355 -0.434 1
1 365 . 5 1 1 A 51 51 PRO C C 48 177.492 175.700 1.792 1
1 366 . 5 1 1 A 51 51 PRO CA C 48 65.923 63.838 2.085 1
1 367 . 5 1 1 A 51 51 PRO CB C 48 31.509 31.705 -0.196 1
1 370 . 5 1 1 A 52 52 TYR H H 49 7.517 7.854 -0.337 1
1 371 . 5 1 1 A 52 52 TYR HA H 49 4.790 4.667 0.123 1
1 378 . 5 1 1 A 52 52 TYR C C 49 175.214 175.626 -0.412 1
1 379 . 5 1 1 A 52 52 TYR CA C 49 55.767 59.077 -3.310 1
1 380 . 5 1 1 A 52 52 TYR CB C 49 39.277 40.670 -1.393 1
1 385 . 5 1 1 A 52 52 TYR N N 49 109.643 117.151 -7.508 1
1 386 . 5 1 1 A 53 53 SER H H 50 6.986 7.870 -0.884 1
1 387 . 5 1 1 A 53 53 SER HA H 50 4.409 4.898 -0.489 1
1 390 . 5 1 1 A 53 53 SER C C 50 171.925 172.441 -0.516 1
1 391 . 5 1 1 A 53 53 SER CA C 50 57.189 57.307 -0.118 1
1 392 . 5 1 1 A 53 53 SER CB C 50 63.786 67.361 -3.575 1
1 393 . 5 1 1 A 53 53 SER N N 50 112.994 113.327 -0.333 1
1 394 . 5 1 1 A 54 54 GLU H H 51 7.890 8.589 -0.699 1
1 395 . 5 1 1 A 54 54 GLU HA H 51 4.903 5.112 -0.209 1
1 400 . 5 1 1 A 54 54 GLU C C 51 175.536 175.004 0.532 1
1 401 . 5 1 1 A 54 54 GLU CA C 51 54.722 54.757 -0.035 1
1 402 . 5 1 1 A 54 54 GLU CB C 51 33.225 34.346 -1.121 1
1 404 . 5 1 1 A 54 54 GLU N N 51 115.330 119.022 -3.692 1
1 405 . 5 1 1 A 55 55 ILE H H 52 8.600 9.150 -0.550 1
1 406 . 5 1 1 A 55 55 ILE HA H 52 4.302 4.605 -0.303 1
1 416 . 5 1 1 A 55 55 ILE C C 52 175.783 175.237 0.546 1
1 417 . 5 1 1 A 55 55 ILE CA C 52 60.360 60.527 -0.167 1
1 418 . 5 1 1 A 55 55 ILE CB C 52 39.228 37.905 1.323 1
1 422 . 5 1 1 A 55 55 ILE N N 52 122.129 122.735 -0.606 1
1 423 . 5 1 1 A 56 56 GLN H H 53 8.573 8.807 -0.234 1
1 424 . 5 1 1 A 56 56 GLN HA H 53 5.394 5.792 -0.398 1
1 429 . 5 1 1 A 56 56 GLN C C 53 174.379 174.671 -0.292 1
1 430 . 5 1 1 A 56 56 GLN CA C 53 54.790 54.573 0.217 1
1 431 . 5 1 1 A 56 56 GLN CB C 53 33.315 32.082 1.233 1
1 433 . 5 1 1 A 56 56 GLN N N 53 126.768 126.078 0.690 1
1 434 . 5 1 1 A 57 57 GLU H H 54 7.782 8.824 -1.042 1
1 435 . 5 1 1 A 57 57 GLU HA H 54 4.967 5.293 -0.326 1
1 440 . 5 1 1 A 57 57 GLU C C 54 176.345 174.316 2.029 1
1 441 . 5 1 1 A 57 57 GLU CA C 54 55.405 55.144 0.261 1
1 442 . 5 1 1 A 57 57 GLU CB C 54 36.080 32.335 3.745 1
1 444 . 5 1 1 A 57 57 GLU N N 54 117.990 120.535 -2.545 1
1 445 . 5 1 1 A 58 58 CYS H H 55 8.780 7.990 0.790 1
1 446 . 5 1 1 A 58 58 CYS HA H 55 5.145 5.266 -0.121 1
1 449 . 5 1 1 A 58 58 CYS C C 55 175.293 173.005 2.288 1
1 450 . 5 1 1 A 58 58 CYS CA C 55 57.749 55.437 2.312 1
1 451 . 5 1 1 A 58 58 CYS CB C 55 45.523 44.337 1.186 1
1 452 . 5 1 1 A 58 58 CYS N N 55 119.662 119.725 -0.063 1
1 453 . 5 1 1 A 59 59 LYS H H 56 9.277 8.751 0.526 1
1 454 . 5 1 1 A 59 59 LYS HA H 56 4.896 5.041 -0.145 1
1 463 . 5 1 1 A 59 59 LYS C C 56 176.049 175.913 0.136 1
1 464 . 5 1 1 A 59 59 LYS CA C 56 53.903 54.294 -0.391 1
1 465 . 5 1 1 A 59 59 LYS CB C 56 40.637 36.066 4.571 1
1 469 . 5 1 1 A 59 59 LYS N N 56 120.535 126.038 -5.503 1
1 470 . 5 1 1 A 60 60 THR H H 57 7.997 8.798 -0.801 1
1 471 . 5 1 1 A 60 60 THR HA H 57 4.876 4.641 0.235 1
1 476 . 5 1 1 A 60 60 THR C C 57 175.637 176.246 -0.609 1
1 477 . 5 1 1 A 60 60 THR CA C 57 61.017 61.863 -0.846 1
1 478 . 5 1 1 A 60 60 THR CB C 57 70.774 70.170 0.604 1
1 480 . 5 1 1 A 60 60 THR N N 57 108.910 116.006 -7.096 1
1 481 . 5 1 1 A 61 61 VAL H H 58 8.689 8.763 -0.074 1
1 482 . 5 1 1 A 61 61 VAL HA H 58 3.477 3.662 -0.185 1
1 490 . 5 1 1 A 61 61 VAL C C 58 178.541 177.483 1.058 1
1 491 . 5 1 1 A 61 61 VAL CA C 58 67.024 67.155 -0.131 1
1 492 . 5 1 1 A 61 61 VAL CB C 58 31.751 31.960 -0.209 1
1 495 . 5 1 1 A 61 61 VAL N N 58 121.313 122.983 -1.670 1
1 496 . 5 1 1 A 62 62 GLN H H 59 8.564 8.470 0.094 1
1 497 . 5 1 1 A 62 62 GLN HA H 59 4.062 4.040 0.022 1
1 502 . 5 1 1 A 62 62 GLN C C 59 178.871 177.994 0.877 1
1 503 . 5 1 1 A 62 62 GLN CA C 59 58.993 58.771 0.222 1
1 504 . 5 1 1 A 62 62 GLN CB C 59 28.085 28.425 -0.340 1
1 506 . 5 1 1 A 62 62 GLN N N 59 119.395 119.812 -0.417 1
1 507 . 5 1 1 A 63 63 GLN H H 60 7.644 7.997 -0.353 1
1 508 . 5 1 1 A 63 63 GLN HA H 60 4.082 4.559 -0.477 1
1 513 . 5 1 1 A 63 63 GLN C C 60 179.023 178.633 0.390 1
1 514 . 5 1 1 A 63 63 GLN CA C 60 58.106 59.043 -0.937 1
1 515 . 5 1 1 A 63 63 GLN CB C 60 29.283 28.041 1.242 1
1 517 . 5 1 1 A 63 63 GLN N N 60 116.638 118.963 -2.325 1
1 518 . 5 1 1 A 64 64 CYS H H 61 8.543 8.494 0.049 1
1 519 . 5 1 1 A 64 64 CYS HA H 61 3.951 4.359 -0.408 1
1 522 . 5 1 1 A 64 64 CYS C C 61 176.171 176.516 -0.345 1
1 523 . 5 1 1 A 64 64 CYS CA C 61 64.735 59.048 5.687 1
1 524 . 5 1 1 A 64 64 CYS CB C 61 40.828 42.131 -1.303 1
1 525 . 5 1 1 A 64 64 CYS N N 61 118.614 118.850 -0.236 1
1 526 . 5 1 1 A 65 65 ALA H H 62 7.791 8.026 -0.235 1
1 527 . 5 1 1 A 65 65 ALA HA H 62 4.021 3.997 0.024 1
1 531 . 5 1 1 A 65 65 ALA C C 62 180.353 179.452 0.901 1
1 532 . 5 1 1 A 65 65 ALA CA C 62 55.249 55.340 -0.091 1
1 533 . 5 1 1 A 65 65 ALA CB C 62 18.069 18.236 -0.167 1
1 534 . 5 1 1 A 65 65 ALA N N 62 119.479 123.164 -3.685 1
1 535 . 5 1 1 A 66 66 GLU H H 63 7.685 7.951 -0.266 1
1 536 . 5 1 1 A 66 66 GLU HA H 63 4.041 4.108 -0.067 1
1 541 . 5 1 1 A 66 66 GLU C C 63 179.701 178.261 1.440 1
1 542 . 5 1 1 A 66 66 GLU CA C 63 59.440 59.365 0.075 1
1 543 . 5 1 1 A 66 66 GLU CB C 63 29.735 29.062 0.673 1
1 545 . 5 1 1 A 66 66 GLU N N 63 117.981 116.605 1.376 1
1 546 . 5 1 1 A 67 67 VAL H H 64 7.795 8.209 -0.414 1
1 547 . 5 1 1 A 67 67 VAL HA H 64 3.826 4.433 -0.607 1
1 555 . 5 1 1 A 67 67 VAL C C 64 178.078 177.928 0.150 1
1 556 . 5 1 1 A 67 67 VAL CA C 64 66.262 65.779 0.483 1
1 557 . 5 1 1 A 67 67 VAL CB C 64 31.703 31.267 0.436 1
1 560 . 5 1 1 A 67 67 VAL N N 64 120.422 117.129 3.293 1
1 561 . 5 1 1 A 68 68 LEU H H 65 8.563 7.944 0.619 1
1 562 . 5 1 1 A 68 68 LEU HA H 65 3.897 4.010 -0.113 1
1 572 . 5 1 1 A 68 68 LEU C C 65 180.593 178.542 2.051 1
1 573 . 5 1 1 A 68 68 LEU CA C 65 58.495 58.784 -0.289 1
1 574 . 5 1 1 A 68 68 LEU CB C 65 41.633 41.478 0.155 1
1 578 . 5 1 1 A 68 68 LEU N N 65 119.314 125.175 -5.861 1
1 579 . 5 1 1 A 69 69 GLU H H 66 8.071 7.950 0.121 1
1 580 . 5 1 1 A 69 69 GLU HA H 66 3.947 4.659 -0.712 1
1 585 . 5 1 1 A 69 69 GLU C C 66 178.591 179.535 -0.944 1
1 586 . 5 1 1 A 69 69 GLU CA C 66 59.727 59.525 0.202 1
1 587 . 5 1 1 A 69 69 GLU CB C 66 29.549 29.039 0.510 1
1 589 . 5 1 1 A 69 69 GLU N N 66 120.124 118.360 1.764 1
1 590 . 5 1 1 A 70 70 GLU H H 67 7.471 8.111 -0.640 1
1 591 . 5 1 1 A 70 70 GLU HA H 67 4.111 4.108 0.003 1
1 596 . 5 1 1 A 70 70 GLU C C 67 179.873 178.312 1.561 1
1 597 . 5 1 1 A 70 70 GLU CA C 67 59.439 59.303 0.136 1
1 598 . 5 1 1 A 70 70 GLU CB C 67 30.021 29.206 0.815 1
1 600 . 5 1 1 A 70 70 GLU N N 67 119.545 118.575 0.970 1
1 601 . 5 1 1 A 71 71 VAL H H 68 8.790 7.438 1.352 1
1 602 . 5 1 1 A 71 71 VAL HA H 68 4.137 3.902 0.235 1
1 610 . 5 1 1 A 71 71 VAL C C 68 178.818 177.726 1.092 1
1 611 . 5 1 1 A 71 71 VAL CA C 68 64.321 65.590 -1.269 1
1 612 . 5 1 1 A 71 71 VAL CB C 68 31.230 31.498 -0.268 1
1 615 . 5 1 1 A 71 71 VAL N N 68 111.497 116.628 -5.131 1
1 616 . 5 1 1 A 72 72 THR H H 69 8.231 8.313 -0.082 1
1 617 . 5 1 1 A 72 72 THR HA H 69 4.161 4.266 -0.105 1
1 622 . 5 1 1 A 72 72 THR C C 69 177.502 177.054 0.448 1
1 623 . 5 1 1 A 72 72 THR CA C 69 66.179 64.950 1.229 1
1 624 . 5 1 1 A 72 72 THR CB C 69 68.770 68.494 0.276 1
1 626 . 5 1 1 A 72 72 THR N N 69 118.078 114.141 3.937 1
1 627 . 5 1 1 A 73 73 ALA H H 70 7.177 8.290 -1.113 1
1 628 . 5 1 1 A 73 73 ALA HA H 70 4.139 4.192 -0.053 1
1 632 . 5 1 1 A 73 73 ALA C C 70 179.116 179.017 0.099 1
1 633 . 5 1 1 A 73 73 ALA CA C 70 54.690 54.476 0.214 1
1 634 . 5 1 1 A 73 73 ALA CB C 70 18.039 18.337 -0.298 1
1 635 . 5 1 1 A 73 73 ALA N N 70 123.757 123.543 0.214 1
1 636 . 5 1 1 A 74 74 ILE H H 71 6.874 7.298 -0.424 1
1 637 . 5 1 1 A 74 74 ILE HA H 71 3.988 4.061 -0.073 1
1 647 . 5 1 1 A 74 74 ILE C C 71 176.201 176.049 0.152 1
1 648 . 5 1 1 A 74 74 ILE CA C 71 61.927 61.673 0.254 1
1 649 . 5 1 1 A 74 74 ILE CB C 71 38.431 38.535 -0.104 1
1 653 . 5 1 1 A 74 74 ILE N N 71 113.131 115.463 -2.332 1
1 654 . 5 1 1 A 75 75 GLY H H 72 7.476 7.783 -0.307 1
1 655 . 5 1 1 A 75 75 GLY HA2 H 72 3.663 3.786 -0.123 1
1 656 . 5 1 1 A 75 75 GLY HA3 H 72 4.166 3.879 0.287 1
1 657 . 5 1 1 A 75 75 GLY C C 72 174.832 174.092 0.740 1
1 658 . 5 1 1 A 75 75 GLY CA C 72 45.144 45.123 0.021 1
1 659 . 5 1 1 A 75 75 GLY N N 72 106.405 108.168 -1.763 1
1 660 . 5 1 1 A 76 76 TYR H H 73 7.340 7.687 -0.347 1
1 661 . 5 1 1 A 76 76 TYR HA H 73 5.184 4.634 0.550 1
1 668 . 5 1 1 A 76 76 TYR C C 73 173.889 174.256 -0.367 1
1 669 . 5 1 1 A 76 76 TYR CA C 73 52.922 55.921 -2.999 1
1 670 . 5 1 1 A 76 76 TYR CB C 73 36.723 38.905 -2.182 1
1 675 . 5 1 1 A 76 76 TYR N N 73 122.416 120.033 2.383 1
1 676 . 5 1 1 A 77 77 PRO HA H 74 4.394 4.476 -0.082 1
1 683 . 5 1 1 A 77 77 PRO C C 74 175.722 175.825 -0.103 1
1 684 . 5 1 1 A 77 77 PRO CA C 74 63.242 63.407 -0.165 1
1 685 . 5 1 1 A 77 77 PRO CB C 74 32.460 32.236 0.224 1
1 688 . 5 1 1 A 78 78 ALA H H 75 7.778 8.457 -0.679 1
1 689 . 5 1 1 A 78 78 ALA HA H 75 5.239 5.467 -0.228 1
1 693 . 5 1 1 A 78 78 ALA C C 75 176.207 175.682 0.525 1
1 694 . 5 1 1 A 78 78 ALA CA C 75 51.422 50.996 0.426 1
1 695 . 5 1 1 A 78 78 ALA CB C 75 25.258 24.134 1.124 1
1 696 . 5 1 1 A 78 78 ALA N N 75 122.638 123.247 -0.609 1
1 697 . 5 1 1 A 79 79 LYS H H 76 9.213 9.126 0.087 1
1 698 . 5 1 1 A 79 79 LYS HA H 76 4.632 5.132 -0.500 1
1 707 . 5 1 1 A 79 79 LYS C C 76 173.669 174.869 -1.200 1
1 708 . 5 1 1 A 79 79 LYS CA C 76 55.912 55.029 0.883 1
1 709 . 5 1 1 A 79 79 LYS CB C 76 36.309 36.307 0.002 1
1 713 . 5 1 1 A 79 79 LYS N N 76 115.751 115.548 0.203 1
1 714 . 5 1 1 A 80 80 CYS H H 77 8.602 9.057 -0.455 1
1 715 . 5 1 1 A 80 80 CYS HA H 77 5.535 6.370 -0.835 1
1 718 . 5 1 1 A 80 80 CYS C C 77 174.029 172.588 1.441 1
1 719 . 5 1 1 A 80 80 CYS CA C 77 56.029 55.249 0.780 1
1 720 . 5 1 1 A 80 80 CYS CB C 77 47.796 43.672 4.124 1
1 721 . 5 1 1 A 80 80 CYS N N 77 119.633 117.087 2.546 1
1 722 . 5 1 1 A 81 81 CYS H H 78 9.428 8.946 0.482 1
1 723 . 5 1 1 A 81 81 CYS HA H 78 5.391 5.507 -0.116 1
1 726 . 5 1 1 A 81 81 CYS C C 78 173.980 172.434 1.546 1
1 727 . 5 1 1 A 81 81 CYS CA C 78 54.237 53.713 0.524 1
1 728 . 5 1 1 A 81 81 CYS CB C 78 47.557 45.770 1.787 1
1 729 . 5 1 1 A 81 81 CYS N N 78 120.091 122.081 -1.990 1
1 730 . 5 1 1 A 82 82 CYS H H 79 9.291 8.910 0.381 1
1 731 . 5 1 1 A 82 82 CYS HA H 79 5.134 5.424 -0.290 1
1 734 . 5 1 1 A 82 82 CYS C C 79 172.349 173.595 -1.246 1
1 735 . 5 1 1 A 82 82 CYS CA C 79 56.628 57.242 -0.614 1
1 736 . 5 1 1 A 82 82 CYS CB C 79 46.122 28.860 17.262 1
1 737 . 5 1 1 A 82 82 CYS N N 79 117.137 120.400 -3.263 1
1 738 . 5 1 1 A 83 83 GLU H H 80 7.283 8.616 -1.333 1
1 739 . 5 1 1 A 83 83 GLU HA H 80 4.625 4.652 -0.027 1
1 744 . 5 1 1 A 83 83 GLU C C 80 174.435 174.482 -0.047 1
1 745 . 5 1 1 A 83 83 GLU CA C 80 54.873 56.034 -1.161 1
1 746 . 5 1 1 A 83 83 GLU CB C 80 33.106 33.639 -0.533 1
1 748 . 5 1 1 A 83 83 GLU N N 80 120.821 123.853 -3.032 1
1 749 . 5 1 1 A 84 84 ASP H H 81 8.433 8.707 -0.274 1
1 750 . 5 1 1 A 84 84 ASP HA H 81 4.956 4.439 0.517 1
1 753 . 5 1 1 A 84 84 ASP C C 81 178.149 176.742 1.407 1
1 754 . 5 1 1 A 84 84 ASP CA C 81 55.409 55.312 0.097 1
1 755 . 5 1 1 A 84 84 ASP CB C 81 40.817 40.758 0.059 1
1 756 . 5 1 1 A 84 84 ASP N N 81 121.789 124.721 -2.932 1
1 757 . 5 1 1 A 85 85 LEU H H 82 9.244 9.283 -0.039 1
1 758 . 5 1 1 A 85 85 LEU HA H 82 3.308 3.891 -0.583 1
1 765 . 5 1 1 A 85 85 LEU C C 82 176.858 176.767 0.091 1
1 766 . 5 1 1 A 85 85 LEU CA C 82 56.047 56.318 -0.271 1
1 767 . 5 1 1 A 85 85 LEU CB C 82 36.885 39.519 -2.634 1
1 770 . 5 1 1 A 85 85 LEU N N 82 114.422 117.712 -3.290 1
1 771 . 5 1 1 A 86 86 CYS H H 83 8.005 7.861 0.144 1
1 772 . 5 1 1 A 86 86 CYS HA H 83 4.547 4.571 -0.024 1
1 775 . 5 1 1 A 86 86 CYS C C 83 174.632 175.379 -0.747 1
1 776 . 5 1 1 A 86 86 CYS CA C 83 57.206 59.119 -1.913 1
1 777 . 5 1 1 A 86 86 CYS CB C 83 47.155 41.939 5.216 1
1 778 . 5 1 1 A 86 86 CYS N N 83 112.558 116.875 -4.317 1
1 779 . 5 1 1 A 87 87 ASN H H 84 8.859 8.330 0.529 1
1 780 . 5 1 1 A 87 87 ASN HA H 84 4.526 4.732 -0.206 1
1 783 . 5 1 1 A 87 87 ASN C C 84 172.146 175.289 -3.143 1
1 784 . 5 1 1 A 87 87 ASN CA C 84 52.617 52.291 0.326 1
1 785 . 5 1 1 A 87 87 ASN CB C 84 36.673 37.487 -0.814 1
1 786 . 5 1 1 A 87 87 ASN N N 84 119.985 114.557 5.428 1
1 787 . 5 1 1 A 88 88 ARG H H 85 7.353 7.015 0.338 1
1 788 . 5 1 1 A 88 88 ARG HA H 85 3.734 4.222 -0.488 1
1 795 . 5 1 1 A 88 88 ARG C C 85 173.901 175.417 -1.516 1
1 796 . 5 1 1 A 88 88 ARG CA C 85 55.058 56.089 -1.031 1
1 797 . 5 1 1 A 88 88 ARG CB C 85 31.857 30.297 1.560 1
1 800 . 5 1 1 A 88 88 ARG N N 85 118.446 119.364 -0.918 1
1 801 . 5 1 1 A 89 89 SER H H 86 7.987 8.248 -0.261 1
1 802 . 5 1 1 A 89 89 SER HA H 86 3.689 4.617 -0.928 1
1 805 . 5 1 1 A 89 89 SER C C 86 174.342 176.161 -1.819 1
1 806 . 5 1 1 A 89 89 SER CA C 86 57.844 57.668 0.176 1
1 807 . 5 1 1 A 89 89 SER CB C 86 63.504 64.179 -0.675 1
1 808 . 5 1 1 A 89 89 SER N N 86 115.514 117.346 -1.832 1
1 809 . 5 1 1 A 90 90 GLU H H 87 8.461 9.268 -0.807 1
1 810 . 5 1 1 A 90 90 GLU HA H 87 4.125 4.268 -0.143 1
1 815 . 5 1 1 A 90 90 GLU C C 87 175.632 176.661 -1.029 1
1 816 . 5 1 1 A 90 90 GLU CA C 87 56.799 57.701 -0.902 1
1 817 . 5 1 1 A 90 90 GLU CB C 87 30.049 29.625 0.424 1
1 819 . 5 1 1 A 90 90 GLU N N 87 122.917 128.193 -5.276 1
1 16 . 6 1 1 A 22 22 ALA H H 19 8.052 8.502 -0.450 1
1 17 . 6 1 1 A 22 22 ALA HA H 19 4.191 4.510 -0.319 1
1 21 . 6 1 1 A 22 22 ALA C C 19 176.151 176.798 -0.647 1
1 22 . 6 1 1 A 22 22 ALA CA C 19 51.960 51.819 0.141 1
1 23 . 6 1 1 A 22 22 ALA CB C 19 19.784 20.061 -0.277 1
1 24 . 6 1 1 A 22 22 ALA N N 19 125.891 127.089 -1.198 1
1 25 . 6 1 1 A 23 23 LEU H H 20 8.117 8.697 -0.580 1
1 26 . 6 1 1 A 23 23 LEU HA H 20 4.273 5.048 -0.775 1
1 36 . 6 1 1 A 23 23 LEU C C 20 174.307 174.801 -0.494 1
1 37 . 6 1 1 A 23 23 LEU CA C 20 54.838 53.479 1.359 1
1 38 . 6 1 1 A 23 23 LEU CB C 20 44.574 46.240 -1.666 1
1 42 . 6 1 1 A 23 23 LEU N N 20 125.488 121.332 4.156 1
1 43 . 6 1 1 A 24 24 LYS H H 21 7.915 8.192 -0.277 1
1 44 . 6 1 1 A 24 24 LYS HA H 21 5.287 4.943 0.344 1
1 53 . 6 1 1 A 24 24 LYS C C 21 175.901 175.410 0.491 1
1 54 . 6 1 1 A 24 24 LYS CA C 21 54.174 55.273 -1.099 1
1 55 . 6 1 1 A 24 24 LYS CB C 21 34.841 32.445 2.396 1
1 59 . 6 1 1 A 24 24 LYS N N 21 122.369 122.230 0.139 1
1 60 . 6 1 1 A 25 25 CYS H H 22 8.426 8.195 0.231 1
1 61 . 6 1 1 A 25 25 CYS HA H 22 4.886 5.173 -0.287 1
1 64 . 6 1 1 A 25 25 CYS C C 22 175.309 173.336 1.973 1
1 65 . 6 1 1 A 25 25 CYS CA C 22 51.680 55.220 -3.540 1
1 66 . 6 1 1 A 25 25 CYS CB C 22 41.829 44.586 -2.757 1
1 67 . 6 1 1 A 25 25 CYS N N 22 117.505 122.858 -5.353 1
1 68 . 6 1 1 A 26 26 PHE H H 23 8.960 9.141 -0.181 1
1 69 . 6 1 1 A 26 26 PHE HA H 23 5.057 5.021 0.036 1
1 74 . 6 1 1 A 26 26 PHE C C 23 176.694 175.446 1.248 1
1 75 . 6 1 1 A 26 26 PHE CA C 23 60.302 58.377 1.925 1
1 76 . 6 1 1 A 26 26 PHE CB C 23 39.490 40.266 -0.776 1
1 79 . 6 1 1 A 26 26 PHE N N 23 120.038 122.054 -2.016 1
1 80 . 6 1 1 A 27 27 THR H H 24 9.071 8.983 0.088 1
1 81 . 6 1 1 A 27 27 THR HA H 24 4.960 5.289 -0.329 1
1 86 . 6 1 1 A 27 27 THR C C 24 173.722 172.662 1.060 1
1 87 . 6 1 1 A 27 27 THR CA C 24 59.835 60.449 -0.614 1
1 88 . 6 1 1 A 27 27 THR CB C 24 71.382 70.750 0.632 1
1 90 . 6 1 1 A 27 27 THR N N 24 114.266 114.131 0.135 1
1 91 . 6 1 1 A 28 28 ARG H H 25 8.398 8.779 -0.381 1
1 92 . 6 1 1 A 28 28 ARG HA H 25 5.158 5.356 -0.198 1
1 99 . 6 1 1 A 28 28 ARG C C 25 175.547 174.982 0.565 1
1 100 . 6 1 1 A 28 28 ARG CA C 25 54.586 55.809 -1.223 1
1 101 . 6 1 1 A 28 28 ARG CB C 25 32.443 31.255 1.188 1
1 104 . 6 1 1 A 28 28 ARG N N 25 123.189 126.810 -3.621 1
1 105 . 6 1 1 A 29 29 ASN H H 26 8.589 8.743 -0.154 1
1 106 . 6 1 1 A 29 29 ASN HA H 26 4.938 5.092 -0.154 1
1 109 . 6 1 1 A 29 29 ASN C C 26 175.273 175.451 -0.178 1
1 110 . 6 1 1 A 29 29 ASN CA C 26 52.276 51.800 0.476 1
1 111 . 6 1 1 A 29 29 ASN CB C 26 39.660 39.936 -0.276 1
1 112 . 6 1 1 A 29 29 ASN N N 26 125.242 125.938 -0.696 1
1 113 . 6 1 1 A 30 30 GLY H H 27 9.046 8.922 0.124 1
1 114 . 6 1 1 A 30 30 GLY HA2 H 27 3.649 3.876 -0.227 1
1 115 . 6 1 1 A 30 30 GLY HA3 H 27 3.996 3.880 0.116 1
1 116 . 6 1 1 A 30 30 GLY C C 27 174.707 174.039 0.668 1
1 117 . 6 1 1 A 30 30 GLY CA C 27 46.906 47.324 -0.418 1
1 118 . 6 1 1 A 30 30 GLY N N 27 115.613 116.063 -0.450 1
1 119 . 6 1 1 A 31 31 ASP H H 28 8.956 8.776 0.180 1
1 120 . 6 1 1 A 31 31 ASP HA H 28 4.648 4.950 -0.302 1
1 123 . 6 1 1 A 31 31 ASP C C 28 175.670 175.735 -0.065 1
1 124 . 6 1 1 A 31 31 ASP CA C 28 54.939 55.011 -0.072 1
1 125 . 6 1 1 A 31 31 ASP CB C 28 41.505 43.920 -2.415 1
1 126 . 6 1 1 A 31 31 ASP N N 28 126.791 123.867 2.924 1
1 127 . 6 1 1 A 32 32 ASP H H 29 7.973 7.739 0.234 1
1 128 . 6 1 1 A 32 32 ASP HA H 29 4.778 4.462 0.316 1
1 131 . 6 1 1 A 32 32 ASP C C 29 174.871 175.623 -0.752 1
1 132 . 6 1 1 A 32 32 ASP CA C 29 54.192 54.654 -0.462 1
1 133 . 6 1 1 A 32 32 ASP CB C 29 42.663 41.382 1.281 1
1 134 . 6 1 1 A 32 32 ASP N N 29 120.240 119.698 0.542 1
1 135 . 6 1 1 A 33 33 ARG H H 30 8.682 8.950 -0.268 1
1 136 . 6 1 1 A 33 33 ARG HA H 30 5.020 5.266 -0.246 1
1 143 . 6 1 1 A 33 33 ARG C C 30 175.569 175.067 0.502 1
1 144 . 6 1 1 A 33 33 ARG CA C 30 55.487 54.748 0.739 1
1 145 . 6 1 1 A 33 33 ARG CB C 30 31.962 31.981 -0.019 1
1 148 . 6 1 1 A 33 33 ARG N N 30 125.183 122.665 2.518 1
1 149 . 6 1 1 A 34 34 THR H H 31 8.976 9.238 -0.262 1
1 150 . 6 1 1 A 34 34 THR HA H 31 4.764 4.916 -0.152 1
1 155 . 6 1 1 A 34 34 THR C C 31 172.745 174.425 -1.680 1
1 156 . 6 1 1 A 34 34 THR CA C 31 59.891 61.982 -2.091 1
1 157 . 6 1 1 A 34 34 THR CB C 31 71.522 70.553 0.969 1
1 159 . 6 1 1 A 34 34 THR N N 31 120.162 120.780 -0.618 1
1 160 . 6 1 1 A 35 35 VAL H H 32 8.286 8.572 -0.286 1
1 161 . 6 1 1 A 35 35 VAL HA H 32 4.110 4.003 0.107 1
1 169 . 6 1 1 A 35 35 VAL C C 32 175.720 175.585 0.135 1
1 170 . 6 1 1 A 35 35 VAL CA C 32 62.838 63.242 -0.404 1
1 171 . 6 1 1 A 35 35 VAL CB C 32 32.883 30.883 2.000 1
1 174 . 6 1 1 A 35 35 VAL N N 32 122.209 127.640 -5.431 1
1 175 . 6 1 1 A 36 36 THR H H 33 8.749 8.379 0.370 1
1 176 . 6 1 1 A 36 36 THR HA H 33 4.486 5.325 -0.839 1
1 181 . 6 1 1 A 36 36 THR C C 33 173.029 173.242 -0.213 1
1 182 . 6 1 1 A 36 36 THR CA C 33 61.029 60.467 0.562 1
1 183 . 6 1 1 A 36 36 THR CB C 33 71.425 71.478 -0.053 1
1 185 . 6 1 1 A 36 36 THR N N 33 125.259 118.447 6.812 1
1 186 . 6 1 1 A 37 37 THR H H 34 8.544 8.855 -0.311 1
1 187 . 6 1 1 A 37 37 THR HA H 34 4.371 4.683 -0.312 1
1 192 . 6 1 1 A 37 37 THR C C 34 173.839 174.574 -0.735 1
1 193 . 6 1 1 A 37 37 THR CA C 34 62.892 61.428 1.464 1
1 194 . 6 1 1 A 37 37 THR CB C 34 68.156 68.669 -0.513 1
1 196 . 6 1 1 A 37 37 THR N N 34 122.774 119.499 3.275 1
1 197 . 6 1 1 A 38 38 CYS H H 35 9.227 8.611 0.616 1
1 198 . 6 1 1 A 38 38 CYS HA H 35 4.516 4.692 -0.176 1
1 201 . 6 1 1 A 38 38 CYS C C 35 174.923 173.697 1.226 1
1 202 . 6 1 1 A 38 38 CYS CA C 35 52.962 55.472 -2.510 1
1 203 . 6 1 1 A 38 38 CYS CB C 35 37.439 44.298 -6.859 1
1 204 . 6 1 1 A 38 38 CYS N N 35 129.056 127.474 1.582 1
1 205 . 6 1 1 A 39 39 ALA H H 36 8.113 8.559 -0.446 1
1 206 . 6 1 1 A 39 39 ALA HA H 36 4.313 4.426 -0.113 1
1 210 . 6 1 1 A 39 39 ALA C C 36 178.809 179.208 -0.399 1
1 211 . 6 1 1 A 39 39 ALA CA C 36 52.125 52.015 0.110 1
1 212 . 6 1 1 A 39 39 ALA CB C 36 19.235 19.389 -0.154 1
1 213 . 6 1 1 A 39 39 ALA N N 36 122.621 125.006 -2.385 1
1 214 . 6 1 1 A 40 40 GLU H H 37 8.701 8.862 -0.161 1
1 215 . 6 1 1 A 40 40 GLU HA H 37 3.826 4.124 -0.298 1
1 220 . 6 1 1 A 40 40 GLU C C 37 177.999 177.620 0.379 1
1 221 . 6 1 1 A 40 40 GLU CA C 37 60.104 58.356 1.748 1
1 222 . 6 1 1 A 40 40 GLU CB C 37 29.712 28.979 0.733 1
1 224 . 6 1 1 A 40 40 GLU N N 37 120.905 119.324 1.581 1
1 225 . 6 1 1 A 41 41 GLU H H 38 8.870 8.507 0.363 1
1 226 . 6 1 1 A 41 41 GLU HA H 38 4.233 4.129 0.104 1
1 231 . 6 1 1 A 41 41 GLU C C 38 176.790 176.820 -0.030 1
1 232 . 6 1 1 A 41 41 GLU CA C 38 57.438 58.677 -1.239 1
1 233 . 6 1 1 A 41 41 GLU CB C 38 28.813 28.783 0.030 1
1 235 . 6 1 1 A 41 41 GLU N N 38 113.838 119.231 -5.393 1
1 236 . 6 1 1 A 42 42 GLN H H 39 7.935 7.644 0.291 1
1 237 . 6 1 1 A 42 42 GLN HA H 39 4.069 4.524 -0.455 1
1 242 . 6 1 1 A 42 42 GLN C C 39 174.033 176.005 -1.972 1
1 243 . 6 1 1 A 42 42 GLN CA C 39 55.177 54.932 0.245 1
1 244 . 6 1 1 A 42 42 GLN CB C 39 28.144 28.203 -0.059 1
1 246 . 6 1 1 A 42 42 GLN N N 39 120.919 119.724 1.195 1
1 247 . 6 1 1 A 43 43 THR H H 40 6.846 8.262 -1.416 1
1 248 . 6 1 1 A 43 43 THR HA H 40 4.340 4.542 -0.202 1
1 253 . 6 1 1 A 43 43 THR C C 40 175.221 173.493 1.728 1
1 254 . 6 1 1 A 43 43 THR CA C 40 60.677 61.486 -0.809 1
1 255 . 6 1 1 A 43 43 THR CB C 40 68.516 69.362 -0.846 1
1 257 . 6 1 1 A 43 43 THR N N 40 109.859 115.328 -5.469 1
1 258 . 6 1 1 A 44 44 ARG H H 41 8.496 7.194 1.302 1
1 259 . 6 1 1 A 44 44 ARG HA H 41 5.001 4.792 0.209 1
1 266 . 6 1 1 A 44 44 ARG C C 41 174.082 174.998 -0.916 1
1 267 . 6 1 1 A 44 44 ARG CA C 41 52.838 54.012 -1.174 1
1 268 . 6 1 1 A 44 44 ARG CB C 41 34.466 33.332 1.134 1
1 271 . 6 1 1 A 44 44 ARG N N 41 122.000 120.041 1.959 1
1 272 . 6 1 1 A 45 45 CYS H H 42 8.814 8.627 0.187 1
1 273 . 6 1 1 A 45 45 CYS HA H 42 5.566 5.268 0.298 1
1 276 . 6 1 1 A 45 45 CYS C C 42 173.806 171.271 2.535 1
1 277 . 6 1 1 A 45 45 CYS CA C 42 51.956 55.124 -3.168 1
1 278 . 6 1 1 A 45 45 CYS CB C 42 38.526 46.184 -7.658 1
1 279 . 6 1 1 A 45 45 CYS N N 42 115.378 118.476 -3.098 1
1 280 . 6 1 1 A 46 46 LEU H H 43 9.234 9.669 -0.435 1
1 281 . 6 1 1 A 46 46 LEU HA H 43 5.382 5.025 0.357 1
1 291 . 6 1 1 A 46 46 LEU C C 43 176.639 175.403 1.236 1
1 292 . 6 1 1 A 46 46 LEU CA C 43 53.739 53.546 0.193 1
1 293 . 6 1 1 A 46 46 LEU CB C 43 46.024 44.084 1.940 1
1 297 . 6 1 1 A 46 46 LEU N N 43 122.940 128.133 -5.193 1
1 298 . 6 1 1 A 47 47 PHE H H 44 9.048 8.723 0.325 1
1 299 . 6 1 1 A 47 47 PHE HA H 44 5.700 6.130 -0.430 1
1 306 . 6 1 1 A 47 47 PHE C C 44 173.708 173.416 0.292 1
1 307 . 6 1 1 A 47 47 PHE CA C 44 56.494 56.563 -0.069 1
1 308 . 6 1 1 A 47 47 PHE CB C 44 44.246 42.485 1.761 1
1 313 . 6 1 1 A 47 47 PHE N N 44 128.522 127.533 0.989 1
1 314 . 6 1 1 A 48 48 VAL H H 45 8.086 8.424 -0.338 1
1 315 . 6 1 1 A 48 48 VAL HA H 45 4.234 4.466 -0.232 1
1 323 . 6 1 1 A 48 48 VAL C C 45 173.728 174.541 -0.813 1
1 324 . 6 1 1 A 48 48 VAL CA C 45 61.110 59.630 1.480 1
1 325 . 6 1 1 A 48 48 VAL CB C 45 36.121 35.025 1.096 1
1 328 . 6 1 1 A 48 48 VAL N N 45 124.455 126.451 -1.996 1
1 329 . 6 1 1 A 49 49 GLN H H 46 8.391 8.993 -0.602 1
1 330 . 6 1 1 A 49 49 GLN HA H 46 4.155 4.322 -0.167 1
1 335 . 6 1 1 A 49 49 GLN C C 46 174.214 175.672 -1.458 1
1 336 . 6 1 1 A 49 49 GLN CA C 46 54.491 56.175 -1.684 1
1 337 . 6 1 1 A 49 49 GLN CB C 46 29.986 29.065 0.921 1
1 339 . 6 1 1 A 49 49 GLN N N 46 126.537 125.949 0.588 1
1 340 . 6 1 1 A 50 50 LEU H H 47 7.646 8.260 -0.614 1
1 341 . 6 1 1 A 50 50 LEU HA H 47 3.856 4.746 -0.890 1
1 351 . 6 1 1 A 50 50 LEU C C 47 175.649 176.301 -0.652 1
1 352 . 6 1 1 A 50 50 LEU CA C 47 53.706 50.815 2.891 1
1 353 . 6 1 1 A 50 50 LEU CB C 47 39.821 45.013 -5.192 1
1 357 . 6 1 1 A 50 50 LEU N N 47 127.637 124.598 3.039 1
1 358 . 6 1 1 A 51 51 PRO HA H 48 3.921 4.550 -0.629 1
1 365 . 6 1 1 A 51 51 PRO C C 48 177.492 176.933 0.559 1
1 366 . 6 1 1 A 51 51 PRO CA C 48 65.923 63.797 2.126 1
1 367 . 6 1 1 A 51 51 PRO CB C 48 31.509 31.754 -0.245 1
1 370 . 6 1 1 A 52 52 TYR H H 49 7.517 7.944 -0.427 1
1 371 . 6 1 1 A 52 52 TYR HA H 49 4.790 4.823 -0.033 1
1 378 . 6 1 1 A 52 52 TYR C C 49 175.214 174.995 0.219 1
1 379 . 6 1 1 A 52 52 TYR CA C 49 55.767 57.519 -1.752 1
1 380 . 6 1 1 A 52 52 TYR CB C 49 39.277 40.708 -1.431 1
1 385 . 6 1 1 A 52 52 TYR N N 49 109.643 116.914 -7.271 1
1 386 . 6 1 1 A 53 53 SER H H 50 6.986 7.393 -0.407 1
1 387 . 6 1 1 A 53 53 SER HA H 50 4.409 4.862 -0.453 1
1 390 . 6 1 1 A 53 53 SER C C 50 171.925 172.170 -0.245 1
1 391 . 6 1 1 A 53 53 SER CA C 50 57.189 57.172 0.017 1
1 392 . 6 1 1 A 53 53 SER CB C 50 63.786 66.692 -2.906 1
1 393 . 6 1 1 A 53 53 SER N N 50 112.994 115.182 -2.188 1
1 394 . 6 1 1 A 54 54 GLU H H 51 7.890 8.842 -0.952 1
1 395 . 6 1 1 A 54 54 GLU HA H 51 4.903 4.869 0.034 1
1 400 . 6 1 1 A 54 54 GLU C C 51 175.536 174.055 1.481 1
1 401 . 6 1 1 A 54 54 GLU CA C 51 54.722 54.480 0.242 1
1 402 . 6 1 1 A 54 54 GLU CB C 51 33.225 33.846 -0.621 1
1 404 . 6 1 1 A 54 54 GLU N N 51 115.330 117.839 -2.509 1
1 405 . 6 1 1 A 55 55 ILE H H 52 8.600 8.236 0.364 1
1 406 . 6 1 1 A 55 55 ILE HA H 52 4.302 4.725 -0.423 1
1 416 . 6 1 1 A 55 55 ILE C C 52 175.783 175.239 0.544 1
1 417 . 6 1 1 A 55 55 ILE CA C 52 60.360 59.664 0.696 1
1 418 . 6 1 1 A 55 55 ILE CB C 52 39.228 38.963 0.265 1
1 422 . 6 1 1 A 55 55 ILE N N 52 122.129 123.503 -1.374 1
1 423 . 6 1 1 A 56 56 GLN H H 53 8.573 8.787 -0.214 1
1 424 . 6 1 1 A 56 56 GLN HA H 53 5.394 5.765 -0.371 1
1 429 . 6 1 1 A 56 56 GLN C C 53 174.379 174.517 -0.138 1
1 430 . 6 1 1 A 56 56 GLN CA C 53 54.790 54.513 0.277 1
1 431 . 6 1 1 A 56 56 GLN CB C 53 33.315 32.383 0.932 1
1 433 . 6 1 1 A 56 56 GLN N N 53 126.768 125.763 1.005 1
1 434 . 6 1 1 A 57 57 GLU H H 54 7.782 8.898 -1.116 1
1 435 . 6 1 1 A 57 57 GLU HA H 54 4.967 4.691 0.276 1
1 440 . 6 1 1 A 57 57 GLU C C 54 176.345 174.438 1.907 1
1 441 . 6 1 1 A 57 57 GLU CA C 54 55.405 56.093 -0.688 1
1 442 . 6 1 1 A 57 57 GLU CB C 54 36.080 33.748 2.332 1
1 444 . 6 1 1 A 57 57 GLU N N 54 117.990 122.454 -4.464 1
1 445 . 6 1 1 A 58 58 CYS H H 55 8.780 8.465 0.315 1
1 446 . 6 1 1 A 58 58 CYS HA H 55 5.145 5.360 -0.215 1
1 449 . 6 1 1 A 58 58 CYS C C 55 175.293 173.359 1.934 1
1 450 . 6 1 1 A 58 58 CYS CA C 55 57.749 54.928 2.821 1
1 451 . 6 1 1 A 58 58 CYS CB C 55 45.523 44.215 1.308 1
1 452 . 6 1 1 A 58 58 CYS N N 55 119.662 120.751 -1.089 1
1 453 . 6 1 1 A 59 59 LYS H H 56 9.277 8.232 1.045 1
1 454 . 6 1 1 A 59 59 LYS HA H 56 4.896 4.837 0.059 1
1 463 . 6 1 1 A 59 59 LYS C C 56 176.049 176.253 -0.204 1
1 464 . 6 1 1 A 59 59 LYS CA C 56 53.903 54.774 -0.871 1
1 465 . 6 1 1 A 59 59 LYS CB C 56 40.637 36.402 4.235 1
1 469 . 6 1 1 A 59 59 LYS N N 56 120.535 123.246 -2.711 1
1 470 . 6 1 1 A 60 60 THR H H 57 7.997 8.767 -0.770 1
1 471 . 6 1 1 A 60 60 THR HA H 57 4.876 4.472 0.404 1
1 476 . 6 1 1 A 60 60 THR C C 57 175.637 176.294 -0.657 1
1 477 . 6 1 1 A 60 60 THR CA C 57 61.017 61.402 -0.385 1
1 478 . 6 1 1 A 60 60 THR CB C 57 70.774 70.402 0.372 1
1 480 . 6 1 1 A 60 60 THR N N 57 108.910 114.084 -5.174 1
1 481 . 6 1 1 A 61 61 VAL H H 58 8.689 8.786 -0.097 1
1 482 . 6 1 1 A 61 61 VAL HA H 58 3.477 3.668 -0.191 1
1 490 . 6 1 1 A 61 61 VAL C C 58 178.541 177.481 1.060 1
1 491 . 6 1 1 A 61 61 VAL CA C 58 67.024 67.289 -0.265 1
1 492 . 6 1 1 A 61 61 VAL CB C 58 31.751 31.958 -0.207 1
1 495 . 6 1 1 A 61 61 VAL N N 58 121.313 122.852 -1.539 1
1 496 . 6 1 1 A 62 62 GLN H H 59 8.564 8.059 0.505 1
1 497 . 6 1 1 A 62 62 GLN HA H 59 4.062 4.012 0.050 1
1 502 . 6 1 1 A 62 62 GLN C C 59 178.871 178.597 0.274 1
1 503 . 6 1 1 A 62 62 GLN CA C 59 58.993 59.160 -0.167 1
1 504 . 6 1 1 A 62 62 GLN CB C 59 28.085 28.552 -0.467 1
1 506 . 6 1 1 A 62 62 GLN N N 59 119.395 119.186 0.209 1
1 507 . 6 1 1 A 63 63 GLN H H 60 7.644 7.864 -0.220 1
1 508 . 6 1 1 A 63 63 GLN HA H 60 4.082 4.434 -0.352 1
1 513 . 6 1 1 A 63 63 GLN C C 60 179.023 178.400 0.623 1
1 514 . 6 1 1 A 63 63 GLN CA C 60 58.106 58.738 -0.632 1
1 515 . 6 1 1 A 63 63 GLN CB C 60 29.283 27.918 1.365 1
1 517 . 6 1 1 A 63 63 GLN N N 60 116.638 117.568 -0.930 1
1 518 . 6 1 1 A 64 64 CYS H H 61 8.543 8.491 0.052 1
1 519 . 6 1 1 A 64 64 CYS HA H 61 3.951 4.389 -0.438 1
1 522 . 6 1 1 A 64 64 CYS C C 61 176.171 176.353 -0.182 1
1 523 . 6 1 1 A 64 64 CYS CA C 61 64.735 58.843 5.892 1
1 524 . 6 1 1 A 64 64 CYS CB C 61 40.828 41.959 -1.131 1
1 525 . 6 1 1 A 64 64 CYS N N 61 118.614 118.612 0.002 1
1 526 . 6 1 1 A 65 65 ALA H H 62 7.791 7.843 -0.052 1
1 527 . 6 1 1 A 65 65 ALA HA H 62 4.021 4.045 -0.024 1
1 531 . 6 1 1 A 65 65 ALA C C 62 180.353 179.451 0.902 1
1 532 . 6 1 1 A 65 65 ALA CA C 62 55.249 55.181 0.068 1
1 533 . 6 1 1 A 65 65 ALA CB C 62 18.069 18.396 -0.327 1
1 534 . 6 1 1 A 65 65 ALA N N 62 119.479 122.741 -3.262 1
1 535 . 6 1 1 A 66 66 GLU H H 63 7.685 8.238 -0.553 1
1 536 . 6 1 1 A 66 66 GLU HA H 63 4.041 4.052 -0.011 1
1 541 . 6 1 1 A 66 66 GLU C C 63 179.701 179.257 0.444 1
1 542 . 6 1 1 A 66 66 GLU CA C 63 59.440 59.632 -0.192 1
1 543 . 6 1 1 A 66 66 GLU CB C 63 29.735 29.348 0.387 1
1 545 . 6 1 1 A 66 66 GLU N N 63 117.981 118.714 -0.733 1
1 546 . 6 1 1 A 67 67 VAL H H 64 7.795 8.271 -0.476 1
1 547 . 6 1 1 A 67 67 VAL HA H 64 3.826 4.331 -0.505 1
1 555 . 6 1 1 A 67 67 VAL C C 64 178.078 177.845 0.233 1
1 556 . 6 1 1 A 67 67 VAL CA C 64 66.262 65.864 0.398 1
1 557 . 6 1 1 A 67 67 VAL CB C 64 31.703 31.201 0.502 1
1 560 . 6 1 1 A 67 67 VAL N N 64 120.422 116.736 3.686 1
1 561 . 6 1 1 A 68 68 LEU H H 65 8.563 8.260 0.303 1
1 562 . 6 1 1 A 68 68 LEU HA H 65 3.897 3.944 -0.047 1
1 572 . 6 1 1 A 68 68 LEU C C 65 180.593 178.357 2.236 1
1 573 . 6 1 1 A 68 68 LEU CA C 65 58.495 58.767 -0.272 1
1 574 . 6 1 1 A 68 68 LEU CB C 65 41.633 41.512 0.121 1
1 578 . 6 1 1 A 68 68 LEU N N 65 119.314 124.926 -5.612 1
1 579 . 6 1 1 A 69 69 GLU H H 66 8.071 7.904 0.167 1
1 580 . 6 1 1 A 69 69 GLU HA H 66 3.947 4.038 -0.091 1
1 585 . 6 1 1 A 69 69 GLU C C 66 178.591 178.447 0.144 1
1 586 . 6 1 1 A 69 69 GLU CA C 66 59.727 59.120 0.607 1
1 587 . 6 1 1 A 69 69 GLU CB C 66 29.549 29.106 0.443 1
1 589 . 6 1 1 A 69 69 GLU N N 66 120.124 118.651 1.473 1
1 590 . 6 1 1 A 70 70 GLU H H 67 7.471 8.060 -0.589 1
1 591 . 6 1 1 A 70 70 GLU HA H 67 4.111 4.104 0.007 1
1 596 . 6 1 1 A 70 70 GLU C C 67 179.873 178.229 1.644 1
1 597 . 6 1 1 A 70 70 GLU CA C 67 59.439 59.247 0.192 1
1 598 . 6 1 1 A 70 70 GLU CB C 67 30.021 29.315 0.706 1
1 600 . 6 1 1 A 70 70 GLU N N 67 119.545 117.679 1.866 1
1 601 . 6 1 1 A 71 71 VAL H H 68 8.790 7.386 1.404 1
1 602 . 6 1 1 A 71 71 VAL HA H 68 4.137 3.843 0.294 1
1 610 . 6 1 1 A 71 71 VAL C C 68 178.818 178.518 0.300 1
1 611 . 6 1 1 A 71 71 VAL CA C 68 64.321 65.535 -1.214 1
1 612 . 6 1 1 A 71 71 VAL CB C 68 31.230 31.539 -0.309 1
1 615 . 6 1 1 A 71 71 VAL N N 68 111.497 116.766 -5.269 1
1 616 . 6 1 1 A 72 72 THR H H 69 8.231 8.307 -0.076 1
1 617 . 6 1 1 A 72 72 THR HA H 69 4.161 4.118 0.043 1
1 622 . 6 1 1 A 72 72 THR C C 69 177.502 176.797 0.705 1
1 623 . 6 1 1 A 72 72 THR CA C 69 66.179 66.267 -0.088 1
1 624 . 6 1 1 A 72 72 THR CB C 69 68.770 68.773 -0.003 1
1 626 . 6 1 1 A 72 72 THR N N 69 118.078 116.893 1.185 1
1 627 . 6 1 1 A 73 73 ALA H H 70 7.177 8.383 -1.206 1
1 628 . 6 1 1 A 73 73 ALA HA H 70 4.139 4.204 -0.065 1
1 632 . 6 1 1 A 73 73 ALA C C 70 179.116 179.746 -0.630 1
1 633 . 6 1 1 A 73 73 ALA CA C 70 54.690 54.511 0.179 1
1 634 . 6 1 1 A 73 73 ALA CB C 70 18.039 18.361 -0.322 1
1 635 . 6 1 1 A 73 73 ALA N N 70 123.757 123.012 0.745 1
1 636 . 6 1 1 A 74 74 ILE H H 71 6.874 7.371 -0.497 1
1 637 . 6 1 1 A 74 74 ILE HA H 71 3.988 4.110 -0.122 1
1 647 . 6 1 1 A 74 74 ILE C C 71 176.201 176.116 0.085 1
1 648 . 6 1 1 A 74 74 ILE CA C 71 61.927 62.052 -0.125 1
1 649 . 6 1 1 A 74 74 ILE CB C 71 38.431 38.748 -0.317 1
1 653 . 6 1 1 A 74 74 ILE N N 71 113.131 115.569 -2.438 1
1 654 . 6 1 1 A 75 75 GLY H H 72 7.476 7.800 -0.324 1
1 655 . 6 1 1 A 75 75 GLY HA2 H 72 3.663 3.871 -0.208 1
1 656 . 6 1 1 A 75 75 GLY HA3 H 72 4.166 3.962 0.204 1
1 657 . 6 1 1 A 75 75 GLY C C 72 174.832 173.765 1.067 1
1 658 . 6 1 1 A 75 75 GLY CA C 72 45.144 44.814 0.330 1
1 659 . 6 1 1 A 75 75 GLY N N 72 106.405 108.339 -1.934 1
1 660 . 6 1 1 A 76 76 TYR H H 73 7.340 7.781 -0.441 1
1 661 . 6 1 1 A 76 76 TYR HA H 73 5.184 4.734 0.450 1
1 668 . 6 1 1 A 76 76 TYR C C 73 173.889 174.016 -0.127 1
1 669 . 6 1 1 A 76 76 TYR CA C 73 52.922 55.583 -2.661 1
1 670 . 6 1 1 A 76 76 TYR CB C 73 36.723 39.071 -2.348 1
1 675 . 6 1 1 A 76 76 TYR N N 73 122.416 120.298 2.118 1
1 676 . 6 1 1 A 77 77 PRO HA H 74 4.394 4.389 0.005 1
1 683 . 6 1 1 A 77 77 PRO C C 74 175.722 176.167 -0.445 1
1 684 . 6 1 1 A 77 77 PRO CA C 74 63.242 63.337 -0.095 1
1 685 . 6 1 1 A 77 77 PRO CB C 74 32.460 32.078 0.382 1
1 688 . 6 1 1 A 78 78 ALA H H 75 7.778 8.435 -0.657 1
1 689 . 6 1 1 A 78 78 ALA HA H 75 5.239 5.202 0.037 1
1 693 . 6 1 1 A 78 78 ALA C C 75 176.207 175.837 0.370 1
1 694 . 6 1 1 A 78 78 ALA CA C 75 51.422 50.618 0.804 1
1 695 . 6 1 1 A 78 78 ALA CB C 75 25.258 24.256 1.002 1
1 696 . 6 1 1 A 78 78 ALA N N 75 122.638 124.218 -1.580 1
1 697 . 6 1 1 A 79 79 LYS H H 76 9.213 9.217 -0.004 1
1 698 . 6 1 1 A 79 79 LYS HA H 76 4.632 5.142 -0.510 1
1 707 . 6 1 1 A 79 79 LYS C C 76 173.669 175.008 -1.339 1
1 708 . 6 1 1 A 79 79 LYS CA C 76 55.912 54.511 1.401 1
1 709 . 6 1 1 A 79 79 LYS CB C 76 36.309 36.220 0.089 1
1 713 . 6 1 1 A 79 79 LYS N N 76 115.751 116.028 -0.277 1
1 714 . 6 1 1 A 80 80 CYS H H 77 8.602 8.800 -0.198 1
1 715 . 6 1 1 A 80 80 CYS HA H 77 5.535 5.790 -0.255 1
1 718 . 6 1 1 A 80 80 CYS C C 77 174.029 172.312 1.717 1
1 719 . 6 1 1 A 80 80 CYS CA C 77 56.029 55.880 0.149 1
1 720 . 6 1 1 A 80 80 CYS CB C 77 47.796 43.116 4.680 1
1 721 . 6 1 1 A 80 80 CYS N N 77 119.633 117.333 2.300 1
1 722 . 6 1 1 A 81 81 CYS H H 78 9.428 8.890 0.538 1
1 723 . 6 1 1 A 81 81 CYS HA H 78 5.391 5.544 -0.153 1
1 726 . 6 1 1 A 81 81 CYS C C 78 173.980 172.044 1.936 1
1 727 . 6 1 1 A 81 81 CYS CA C 78 54.237 53.716 0.521 1
1 728 . 6 1 1 A 81 81 CYS CB C 78 47.557 45.548 2.009 1
1 729 . 6 1 1 A 81 81 CYS N N 78 120.091 123.766 -3.675 1
1 730 . 6 1 1 A 82 82 CYS H H 79 9.291 8.884 0.407 1
1 731 . 6 1 1 A 82 82 CYS HA H 79 5.134 5.097 0.037 1
1 734 . 6 1 1 A 82 82 CYS C C 79 172.349 173.333 -0.984 1
1 735 . 6 1 1 A 82 82 CYS CA C 79 56.628 57.194 -0.566 1
1 736 . 6 1 1 A 82 82 CYS CB C 79 46.122 28.474 17.648 1
1 737 . 6 1 1 A 82 82 CYS N N 79 117.137 121.613 -4.476 1
1 738 . 6 1 1 A 83 83 GLU H H 80 7.283 8.602 -1.319 1
1 739 . 6 1 1 A 83 83 GLU HA H 80 4.625 4.677 -0.052 1
1 744 . 6 1 1 A 83 83 GLU C C 80 174.435 174.629 -0.194 1
1 745 . 6 1 1 A 83 83 GLU CA C 80 54.873 56.217 -1.344 1
1 746 . 6 1 1 A 83 83 GLU CB C 80 33.106 33.598 -0.492 1
1 748 . 6 1 1 A 83 83 GLU N N 80 120.821 126.378 -5.557 1
1 749 . 6 1 1 A 84 84 ASP H H 81 8.433 8.691 -0.258 1
1 750 . 6 1 1 A 84 84 ASP HA H 81 4.956 4.472 0.484 1
1 753 . 6 1 1 A 84 84 ASP C C 81 178.149 176.708 1.441 1
1 754 . 6 1 1 A 84 84 ASP CA C 81 55.409 55.216 0.193 1
1 755 . 6 1 1 A 84 84 ASP CB C 81 40.817 40.776 0.041 1
1 756 . 6 1 1 A 84 84 ASP N N 81 121.789 124.424 -2.635 1
1 757 . 6 1 1 A 85 85 LEU H H 82 9.244 8.648 0.596 1
1 758 . 6 1 1 A 85 85 LEU HA H 82 3.308 3.572 -0.264 1
1 765 . 6 1 1 A 85 85 LEU C C 82 176.858 176.701 0.157 1
1 766 . 6 1 1 A 85 85 LEU CA C 82 56.047 56.339 -0.292 1
1 767 . 6 1 1 A 85 85 LEU CB C 82 36.885 39.747 -2.862 1
1 770 . 6 1 1 A 85 85 LEU N N 82 114.422 117.242 -2.820 1
1 771 . 6 1 1 A 86 86 CYS H H 83 8.005 7.792 0.213 1
1 772 . 6 1 1 A 86 86 CYS HA H 83 4.547 4.391 0.156 1
1 775 . 6 1 1 A 86 86 CYS C C 83 174.632 175.257 -0.625 1
1 776 . 6 1 1 A 86 86 CYS CA C 83 57.206 59.179 -1.973 1
1 777 . 6 1 1 A 86 86 CYS CB C 83 47.155 41.841 5.314 1
1 778 . 6 1 1 A 86 86 CYS N N 83 112.558 117.100 -4.542 1
1 779 . 6 1 1 A 87 87 ASN H H 84 8.859 8.346 0.513 1
1 780 . 6 1 1 A 87 87 ASN HA H 84 4.526 4.760 -0.234 1
1 783 . 6 1 1 A 87 87 ASN C C 84 172.146 175.159 -3.013 1
1 784 . 6 1 1 A 87 87 ASN CA C 84 52.617 52.532 0.085 1
1 785 . 6 1 1 A 87 87 ASN CB C 84 36.673 37.890 -1.217 1
1 786 . 6 1 1 A 87 87 ASN N N 84 119.985 114.554 5.431 1
1 787 . 6 1 1 A 88 88 ARG H H 85 7.353 7.736 -0.383 1
1 788 . 6 1 1 A 88 88 ARG HA H 85 3.734 4.199 -0.465 1
1 795 . 6 1 1 A 88 88 ARG C C 85 173.901 175.224 -1.323 1
1 796 . 6 1 1 A 88 88 ARG CA C 85 55.058 55.517 -0.459 1
1 797 . 6 1 1 A 88 88 ARG CB C 85 31.857 30.997 0.860 1
1 800 . 6 1 1 A 88 88 ARG N N 85 118.446 121.765 -3.319 1
1 801 . 6 1 1 A 89 89 SER H H 86 7.987 8.283 -0.296 1
1 802 . 6 1 1 A 89 89 SER HA H 86 3.689 3.830 -0.141 1
1 805 . 6 1 1 A 89 89 SER C C 86 174.342 175.532 -1.190 1
1 806 . 6 1 1 A 89 89 SER CA C 86 57.844 57.531 0.313 1
1 807 . 6 1 1 A 89 89 SER CB C 86 63.504 64.498 -0.994 1
1 808 . 6 1 1 A 89 89 SER N N 86 115.514 118.042 -2.528 1
1 809 . 6 1 1 A 90 90 GLU H H 87 8.461 8.900 -0.439 1
1 810 . 6 1 1 A 90 90 GLU HA H 87 4.125 3.958 0.167 1
1 815 . 6 1 1 A 90 90 GLU C C 87 175.632 178.227 -2.595 1
1 816 . 6 1 1 A 90 90 GLU CA C 87 56.799 59.147 -2.348 1
1 817 . 6 1 1 A 90 90 GLU CB C 87 30.049 29.165 0.884 1
1 819 . 6 1 1 A 90 90 GLU N N 87 122.917 121.567 1.350 1
1 16 . 7 1 1 A 22 22 ALA H H 19 8.052 8.699 -0.647 1
1 17 . 7 1 1 A 22 22 ALA HA H 19 4.191 4.444 -0.253 1
1 21 . 7 1 1 A 22 22 ALA C C 19 176.151 176.826 -0.675 1
1 22 . 7 1 1 A 22 22 ALA CA C 19 51.960 52.738 -0.778 1
1 23 . 7 1 1 A 22 22 ALA CB C 19 19.784 17.715 2.069 1
1 24 . 7 1 1 A 22 22 ALA N N 19 125.891 119.924 5.967 1
1 25 . 7 1 1 A 23 23 LEU H H 20 8.117 8.190 -0.073 1
1 26 . 7 1 1 A 23 23 LEU HA H 20 4.273 4.216 0.057 1
1 36 . 7 1 1 A 23 23 LEU C C 20 174.307 176.270 -1.963 1
1 37 . 7 1 1 A 23 23 LEU CA C 20 54.838 55.490 -0.652 1
1 38 . 7 1 1 A 23 23 LEU CB C 20 44.574 42.505 2.069 1
1 42 . 7 1 1 A 23 23 LEU N N 20 125.488 119.368 6.120 1
1 43 . 7 1 1 A 24 24 LYS H H 21 7.915 8.522 -0.607 1
1 44 . 7 1 1 A 24 24 LYS HA H 21 5.287 5.224 0.063 1
1 53 . 7 1 1 A 24 24 LYS C C 21 175.901 175.106 0.795 1
1 54 . 7 1 1 A 24 24 LYS CA C 21 54.174 54.839 -0.665 1
1 55 . 7 1 1 A 24 24 LYS CB C 21 34.841 33.910 0.931 1
1 59 . 7 1 1 A 24 24 LYS N N 21 122.369 120.688 1.681 1
1 60 . 7 1 1 A 25 25 CYS H H 22 8.426 7.933 0.493 1
1 61 . 7 1 1 A 25 25 CYS HA H 22 4.886 5.068 -0.182 1
1 64 . 7 1 1 A 25 25 CYS C C 22 175.309 172.683 2.626 1
1 65 . 7 1 1 A 25 25 CYS CA C 22 51.680 54.868 -3.188 1
1 66 . 7 1 1 A 25 25 CYS CB C 22 41.829 47.653 -5.824 1
1 67 . 7 1 1 A 25 25 CYS N N 22 117.505 122.035 -4.530 1
1 68 . 7 1 1 A 26 26 PHE H H 23 8.960 8.943 0.017 1
1 69 . 7 1 1 A 26 26 PHE HA H 23 5.057 4.952 0.105 1
1 74 . 7 1 1 A 26 26 PHE C C 23 176.694 175.923 0.771 1
1 75 . 7 1 1 A 26 26 PHE CA C 23 60.302 57.570 2.732 1
1 76 . 7 1 1 A 26 26 PHE CB C 23 39.490 40.285 -0.795 1
1 79 . 7 1 1 A 26 26 PHE N N 23 120.038 121.346 -1.308 1
1 80 . 7 1 1 A 27 27 THR H H 24 9.071 9.332 -0.261 1
1 81 . 7 1 1 A 27 27 THR HA H 24 4.960 5.122 -0.162 1
1 86 . 7 1 1 A 27 27 THR C C 24 173.722 173.336 0.386 1
1 87 . 7 1 1 A 27 27 THR CA C 24 59.835 60.800 -0.965 1
1 88 . 7 1 1 A 27 27 THR CB C 24 71.382 73.187 -1.805 1
1 90 . 7 1 1 A 27 27 THR N N 24 114.266 116.700 -2.434 1
1 91 . 7 1 1 A 28 28 ARG H H 25 8.398 8.426 -0.028 1
1 92 . 7 1 1 A 28 28 ARG HA H 25 5.158 4.633 0.525 1
1 99 . 7 1 1 A 28 28 ARG C C 25 175.547 174.860 0.687 1
1 100 . 7 1 1 A 28 28 ARG CA C 25 54.586 56.156 -1.570 1
1 101 . 7 1 1 A 28 28 ARG CB C 25 32.443 30.893 1.550 1
1 104 . 7 1 1 A 28 28 ARG N N 25 123.189 123.484 -0.295 1
1 105 . 7 1 1 A 29 29 ASN H H 26 8.589 8.711 -0.122 1
1 106 . 7 1 1 A 29 29 ASN HA H 26 4.938 5.055 -0.117 1
1 109 . 7 1 1 A 29 29 ASN C C 26 175.273 175.634 -0.361 1
1 110 . 7 1 1 A 29 29 ASN CA C 26 52.276 51.590 0.686 1
1 111 . 7 1 1 A 29 29 ASN CB C 26 39.660 39.788 -0.128 1
1 112 . 7 1 1 A 29 29 ASN N N 26 125.242 123.478 1.764 1
1 113 . 7 1 1 A 30 30 GLY H H 27 9.046 8.926 0.120 1
1 114 . 7 1 1 A 30 30 GLY HA2 H 27 3.649 3.865 -0.216 1
1 115 . 7 1 1 A 30 30 GLY HA3 H 27 3.996 3.865 0.131 1
1 116 . 7 1 1 A 30 30 GLY C C 27 174.707 174.425 0.282 1
1 117 . 7 1 1 A 30 30 GLY CA C 27 46.906 47.308 -0.402 1
1 118 . 7 1 1 A 30 30 GLY N N 27 115.613 115.940 -0.327 1
1 119 . 7 1 1 A 31 31 ASP H H 28 8.956 8.399 0.557 1
1 120 . 7 1 1 A 31 31 ASP HA H 28 4.648 4.816 -0.168 1
1 123 . 7 1 1 A 31 31 ASP C C 28 175.670 175.478 0.192 1
1 124 . 7 1 1 A 31 31 ASP CA C 28 54.939 53.642 1.297 1
1 125 . 7 1 1 A 31 31 ASP CB C 28 41.505 42.433 -0.928 1
1 126 . 7 1 1 A 31 31 ASP N N 28 126.791 126.386 0.405 1
1 127 . 7 1 1 A 32 32 ASP H H 29 7.973 7.623 0.350 1
1 128 . 7 1 1 A 32 32 ASP HA H 29 4.778 4.656 0.122 1
1 131 . 7 1 1 A 32 32 ASP C C 29 174.871 175.949 -1.078 1
1 132 . 7 1 1 A 32 32 ASP CA C 29 54.192 53.854 0.338 1
1 133 . 7 1 1 A 32 32 ASP CB C 29 42.663 41.981 0.682 1
1 134 . 7 1 1 A 32 32 ASP N N 29 120.240 120.117 0.123 1
1 135 . 7 1 1 A 33 33 ARG H H 30 8.682 8.464 0.218 1
1 136 . 7 1 1 A 33 33 ARG HA H 30 5.020 4.800 0.220 1
1 143 . 7 1 1 A 33 33 ARG C C 30 175.569 175.160 0.409 1
1 144 . 7 1 1 A 33 33 ARG CA C 30 55.487 55.497 -0.010 1
1 145 . 7 1 1 A 33 33 ARG CB C 30 31.962 30.722 1.240 1
1 148 . 7 1 1 A 33 33 ARG N N 30 125.183 124.329 0.854 1
1 149 . 7 1 1 A 34 34 THR H H 31 8.976 8.943 0.033 1
1 150 . 7 1 1 A 34 34 THR HA H 31 4.764 4.856 -0.092 1
1 155 . 7 1 1 A 34 34 THR C C 31 172.745 174.028 -1.283 1
1 156 . 7 1 1 A 34 34 THR CA C 31 59.891 61.928 -2.037 1
1 157 . 7 1 1 A 34 34 THR CB C 31 71.522 70.529 0.993 1
1 159 . 7 1 1 A 34 34 THR N N 31 120.162 120.519 -0.357 1
1 160 . 7 1 1 A 35 35 VAL H H 32 8.286 8.580 -0.294 1
1 161 . 7 1 1 A 35 35 VAL HA H 32 4.110 4.142 -0.032 1
1 169 . 7 1 1 A 35 35 VAL C C 32 175.720 175.847 -0.127 1
1 170 . 7 1 1 A 35 35 VAL CA C 32 62.838 63.053 -0.215 1
1 171 . 7 1 1 A 35 35 VAL CB C 32 32.883 30.948 1.935 1
1 174 . 7 1 1 A 35 35 VAL N N 32 122.209 127.668 -5.459 1
1 175 . 7 1 1 A 36 36 THR H H 33 8.749 8.499 0.250 1
1 176 . 7 1 1 A 36 36 THR HA H 33 4.486 4.911 -0.425 1
1 181 . 7 1 1 A 36 36 THR C C 33 173.029 174.606 -1.577 1
1 182 . 7 1 1 A 36 36 THR CA C 33 61.029 60.081 0.948 1
1 183 . 7 1 1 A 36 36 THR CB C 33 71.425 70.404 1.021 1
1 185 . 7 1 1 A 36 36 THR N N 33 125.259 118.228 7.031 1
1 186 . 7 1 1 A 37 37 THR H H 34 8.544 8.679 -0.135 1
1 187 . 7 1 1 A 37 37 THR HA H 34 4.371 4.313 0.058 1
1 192 . 7 1 1 A 37 37 THR C C 34 173.839 174.054 -0.215 1
1 193 . 7 1 1 A 37 37 THR CA C 34 62.892 63.407 -0.515 1
1 194 . 7 1 1 A 37 37 THR CB C 34 68.156 68.277 -0.121 1
1 196 . 7 1 1 A 37 37 THR N N 34 122.774 119.218 3.556 1
1 197 . 7 1 1 A 38 38 CYS H H 35 9.227 9.187 0.040 1
1 198 . 7 1 1 A 38 38 CYS HA H 35 4.516 5.115 -0.599 1
1 201 . 7 1 1 A 38 38 CYS C C 35 174.923 173.410 1.513 1
1 202 . 7 1 1 A 38 38 CYS CA C 35 52.962 54.595 -1.633 1
1 203 . 7 1 1 A 38 38 CYS CB C 35 37.439 44.790 -7.351 1
1 204 . 7 1 1 A 38 38 CYS N N 35 129.056 124.061 4.995 1
1 205 . 7 1 1 A 39 39 ALA H H 36 8.113 8.944 -0.831 1
1 206 . 7 1 1 A 39 39 ALA HA H 36 4.313 4.399 -0.086 1
1 210 . 7 1 1 A 39 39 ALA C C 36 178.809 178.198 0.611 1
1 211 . 7 1 1 A 39 39 ALA CA C 36 52.125 52.089 0.036 1
1 212 . 7 1 1 A 39 39 ALA CB C 36 19.235 19.946 -0.711 1
1 213 . 7 1 1 A 39 39 ALA N N 36 122.621 125.021 -2.400 1
1 214 . 7 1 1 A 40 40 GLU H H 37 8.701 9.027 -0.326 1
1 215 . 7 1 1 A 40 40 GLU HA H 37 3.826 3.979 -0.153 1
1 220 . 7 1 1 A 40 40 GLU C C 37 177.999 178.447 -0.448 1
1 221 . 7 1 1 A 40 40 GLU CA C 37 60.104 59.617 0.487 1
1 222 . 7 1 1 A 40 40 GLU CB C 37 29.712 29.270 0.442 1
1 224 . 7 1 1 A 40 40 GLU N N 37 120.905 119.231 1.674 1
1 225 . 7 1 1 A 41 41 GLU H H 38 8.870 8.876 -0.006 1
1 226 . 7 1 1 A 41 41 GLU HA H 38 4.233 4.111 0.122 1
1 231 . 7 1 1 A 41 41 GLU C C 38 176.790 177.430 -0.640 1
1 232 . 7 1 1 A 41 41 GLU CA C 38 57.438 59.367 -1.929 1
1 233 . 7 1 1 A 41 41 GLU CB C 38 28.813 29.105 -0.292 1
1 235 . 7 1 1 A 41 41 GLU N N 38 113.838 117.932 -4.094 1
1 236 . 7 1 1 A 42 42 GLN H H 39 7.935 8.091 -0.156 1
1 237 . 7 1 1 A 42 42 GLN HA H 39 4.069 4.562 -0.493 1
1 242 . 7 1 1 A 42 42 GLN C C 39 174.033 176.203 -2.170 1
1 243 . 7 1 1 A 42 42 GLN CA C 39 55.177 54.506 0.671 1
1 244 . 7 1 1 A 42 42 GLN CB C 39 28.144 26.830 1.314 1
1 246 . 7 1 1 A 42 42 GLN N N 39 120.919 118.994 1.925 1
1 247 . 7 1 1 A 43 43 THR H H 40 6.846 8.052 -1.206 1
1 248 . 7 1 1 A 43 43 THR HA H 40 4.340 4.514 -0.174 1
1 253 . 7 1 1 A 43 43 THR C C 40 175.221 173.739 1.482 1
1 254 . 7 1 1 A 43 43 THR CA C 40 60.677 61.888 -1.211 1
1 255 . 7 1 1 A 43 43 THR CB C 40 68.516 69.170 -0.654 1
1 257 . 7 1 1 A 43 43 THR N N 40 109.859 113.863 -4.004 1
1 258 . 7 1 1 A 44 44 ARG H H 41 8.496 7.263 1.233 1
1 259 . 7 1 1 A 44 44 ARG HA H 41 5.001 4.687 0.314 1
1 266 . 7 1 1 A 44 44 ARG C C 41 174.082 174.250 -0.168 1
1 267 . 7 1 1 A 44 44 ARG CA C 41 52.838 54.023 -1.185 1
1 268 . 7 1 1 A 44 44 ARG CB C 41 34.466 33.555 0.911 1
1 271 . 7 1 1 A 44 44 ARG N N 41 122.000 121.937 0.063 1
1 272 . 7 1 1 A 45 45 CYS H H 42 8.814 9.033 -0.219 1
1 273 . 7 1 1 A 45 45 CYS HA H 42 5.566 5.210 0.356 1
1 276 . 7 1 1 A 45 45 CYS C C 42 173.806 171.801 2.005 1
1 277 . 7 1 1 A 45 45 CYS CA C 42 51.956 55.254 -3.298 1
1 278 . 7 1 1 A 45 45 CYS CB C 42 38.526 46.279 -7.753 1
1 279 . 7 1 1 A 45 45 CYS N N 42 115.378 119.080 -3.702 1
1 280 . 7 1 1 A 46 46 LEU H H 43 9.234 9.469 -0.235 1
1 281 . 7 1 1 A 46 46 LEU HA H 43 5.382 5.357 0.025 1
1 291 . 7 1 1 A 46 46 LEU C C 43 176.639 175.477 1.162 1
1 292 . 7 1 1 A 46 46 LEU CA C 43 53.739 53.794 -0.055 1
1 293 . 7 1 1 A 46 46 LEU CB C 43 46.024 44.364 1.660 1
1 297 . 7 1 1 A 46 46 LEU N N 43 122.940 127.784 -4.844 1
1 298 . 7 1 1 A 47 47 PHE H H 44 9.048 8.805 0.243 1
1 299 . 7 1 1 A 47 47 PHE HA H 44 5.700 5.891 -0.191 1
1 306 . 7 1 1 A 47 47 PHE C C 44 173.708 173.640 0.068 1
1 307 . 7 1 1 A 47 47 PHE CA C 44 56.494 57.162 -0.668 1
1 308 . 7 1 1 A 47 47 PHE CB C 44 44.246 41.796 2.450 1
1 313 . 7 1 1 A 47 47 PHE N N 44 128.522 126.797 1.725 1
1 314 . 7 1 1 A 48 48 VAL H H 45 8.086 9.231 -1.145 1
1 315 . 7 1 1 A 48 48 VAL HA H 45 4.234 4.660 -0.426 1
1 323 . 7 1 1 A 48 48 VAL C C 45 173.728 175.174 -1.446 1
1 324 . 7 1 1 A 48 48 VAL CA C 45 61.110 60.619 0.491 1
1 325 . 7 1 1 A 48 48 VAL CB C 45 36.121 34.227 1.894 1
1 328 . 7 1 1 A 48 48 VAL N N 45 124.455 128.237 -3.782 1
1 329 . 7 1 1 A 49 49 GLN H H 46 8.391 8.992 -0.601 1
1 330 . 7 1 1 A 49 49 GLN HA H 46 4.155 4.619 -0.464 1
1 335 . 7 1 1 A 49 49 GLN C C 46 174.214 175.737 -1.523 1
1 336 . 7 1 1 A 49 49 GLN CA C 46 54.491 56.270 -1.779 1
1 337 . 7 1 1 A 49 49 GLN CB C 46 29.986 29.358 0.628 1
1 339 . 7 1 1 A 49 49 GLN N N 46 126.537 126.564 -0.027 1
1 340 . 7 1 1 A 50 50 LEU H H 47 7.646 7.978 -0.332 1
1 341 . 7 1 1 A 50 50 LEU HA H 47 3.856 4.892 -1.036 1
1 351 . 7 1 1 A 50 50 LEU C C 47 175.649 176.517 -0.868 1
1 352 . 7 1 1 A 50 50 LEU CA C 47 53.706 51.429 2.277 1
1 353 . 7 1 1 A 50 50 LEU CB C 47 39.821 45.109 -5.288 1
1 357 . 7 1 1 A 50 50 LEU N N 47 127.637 124.370 3.267 1
1 358 . 7 1 1 A 51 51 PRO HA H 48 3.921 4.348 -0.427 1
1 365 . 7 1 1 A 51 51 PRO C C 48 177.492 175.862 1.630 1
1 366 . 7 1 1 A 51 51 PRO CA C 48 65.923 64.126 1.797 1
1 367 . 7 1 1 A 51 51 PRO CB C 48 31.509 31.427 0.082 1
1 370 . 7 1 1 A 52 52 TYR H H 49 7.517 7.937 -0.420 1
1 371 . 7 1 1 A 52 52 TYR HA H 49 4.790 4.806 -0.016 1
1 378 . 7 1 1 A 52 52 TYR C C 49 175.214 174.783 0.431 1
1 379 . 7 1 1 A 52 52 TYR CA C 49 55.767 57.645 -1.878 1
1 380 . 7 1 1 A 52 52 TYR CB C 49 39.277 40.313 -1.036 1
1 385 . 7 1 1 A 52 52 TYR N N 49 109.643 116.392 -6.749 1
1 386 . 7 1 1 A 53 53 SER H H 50 6.986 7.878 -0.892 1
1 387 . 7 1 1 A 53 53 SER HA H 50 4.409 4.719 -0.310 1
1 390 . 7 1 1 A 53 53 SER C C 50 171.925 172.058 -0.133 1
1 391 . 7 1 1 A 53 53 SER CA C 50 57.189 57.689 -0.500 1
1 392 . 7 1 1 A 53 53 SER CB C 50 63.786 64.739 -0.953 1
1 393 . 7 1 1 A 53 53 SER N N 50 112.994 113.048 -0.054 1
1 394 . 7 1 1 A 54 54 GLU H H 51 7.890 8.660 -0.770 1
1 395 . 7 1 1 A 54 54 GLU HA H 51 4.903 5.199 -0.296 1
1 400 . 7 1 1 A 54 54 GLU C C 51 175.536 174.900 0.636 1
1 401 . 7 1 1 A 54 54 GLU CA C 51 54.722 55.049 -0.327 1
1 402 . 7 1 1 A 54 54 GLU CB C 51 33.225 34.553 -1.328 1
1 404 . 7 1 1 A 54 54 GLU N N 51 115.330 119.090 -3.760 1
1 405 . 7 1 1 A 55 55 ILE H H 52 8.600 9.185 -0.585 1
1 406 . 7 1 1 A 55 55 ILE HA H 52 4.302 4.808 -0.506 1
1 416 . 7 1 1 A 55 55 ILE C C 52 175.783 175.407 0.376 1
1 417 . 7 1 1 A 55 55 ILE CA C 52 60.360 60.131 0.229 1
1 418 . 7 1 1 A 55 55 ILE CB C 52 39.228 39.252 -0.024 1
1 422 . 7 1 1 A 55 55 ILE N N 52 122.129 122.765 -0.636 1
1 423 . 7 1 1 A 56 56 GLN H H 53 8.573 8.893 -0.320 1
1 424 . 7 1 1 A 56 56 GLN HA H 53 5.394 5.567 -0.173 1
1 429 . 7 1 1 A 56 56 GLN C C 53 174.379 174.576 -0.197 1
1 430 . 7 1 1 A 56 56 GLN CA C 53 54.790 54.542 0.248 1
1 431 . 7 1 1 A 56 56 GLN CB C 53 33.315 32.281 1.034 1
1 433 . 7 1 1 A 56 56 GLN N N 53 126.768 125.449 1.319 1
1 434 . 7 1 1 A 57 57 GLU H H 54 7.782 8.803 -1.021 1
1 435 . 7 1 1 A 57 57 GLU HA H 54 4.967 4.889 0.078 1
1 440 . 7 1 1 A 57 57 GLU C C 54 176.345 174.567 1.778 1
1 441 . 7 1 1 A 57 57 GLU CA C 54 55.405 55.184 0.221 1
1 442 . 7 1 1 A 57 57 GLU CB C 54 36.080 32.726 3.354 1
1 444 . 7 1 1 A 57 57 GLU N N 54 117.990 120.468 -2.478 1
1 445 . 7 1 1 A 58 58 CYS H H 55 8.780 8.420 0.360 1
1 446 . 7 1 1 A 58 58 CYS HA H 55 5.145 5.289 -0.144 1
1 449 . 7 1 1 A 58 58 CYS C C 55 175.293 173.317 1.976 1
1 450 . 7 1 1 A 58 58 CYS CA C 55 57.749 55.155 2.594 1
1 451 . 7 1 1 A 58 58 CYS CB C 55 45.523 43.272 2.251 1
1 452 . 7 1 1 A 58 58 CYS N N 55 119.662 119.764 -0.102 1
1 453 . 7 1 1 A 59 59 LYS H H 56 9.277 8.426 0.851 1
1 454 . 7 1 1 A 59 59 LYS HA H 56 4.896 4.955 -0.059 1
1 463 . 7 1 1 A 59 59 LYS C C 56 176.049 175.174 0.875 1
1 464 . 7 1 1 A 59 59 LYS CA C 56 53.903 55.005 -1.102 1
1 465 . 7 1 1 A 59 59 LYS CB C 56 40.637 36.325 4.312 1
1 469 . 7 1 1 A 59 59 LYS N N 56 120.535 124.788 -4.253 1
1 470 . 7 1 1 A 60 60 THR H H 57 7.997 8.786 -0.789 1
1 471 . 7 1 1 A 60 60 THR HA H 57 4.876 4.730 0.146 1
1 476 . 7 1 1 A 60 60 THR C C 57 175.637 176.380 -0.743 1
1 477 . 7 1 1 A 60 60 THR CA C 57 61.017 61.159 -0.142 1
1 478 . 7 1 1 A 60 60 THR CB C 57 70.774 70.330 0.444 1
1 480 . 7 1 1 A 60 60 THR N N 57 108.910 114.878 -5.968 1
1 481 . 7 1 1 A 61 61 VAL H H 58 8.689 8.760 -0.071 1
1 482 . 7 1 1 A 61 61 VAL HA H 58 3.477 3.633 -0.156 1
1 490 . 7 1 1 A 61 61 VAL C C 58 178.541 177.478 1.063 1
1 491 . 7 1 1 A 61 61 VAL CA C 58 67.024 66.987 0.037 1
1 492 . 7 1 1 A 61 61 VAL CB C 58 31.751 31.580 0.171 1
1 495 . 7 1 1 A 61 61 VAL N N 58 121.313 122.584 -1.271 1
1 496 . 7 1 1 A 62 62 GLN H H 59 8.564 8.384 0.180 1
1 497 . 7 1 1 A 62 62 GLN HA H 59 4.062 4.036 0.026 1
1 502 . 7 1 1 A 62 62 GLN C C 59 178.871 178.066 0.805 1
1 503 . 7 1 1 A 62 62 GLN CA C 59 58.993 58.779 0.214 1
1 504 . 7 1 1 A 62 62 GLN CB C 59 28.085 28.304 -0.219 1
1 506 . 7 1 1 A 62 62 GLN N N 59 119.395 119.183 0.212 1
1 507 . 7 1 1 A 63 63 GLN H H 60 7.644 7.752 -0.108 1
1 508 . 7 1 1 A 63 63 GLN HA H 60 4.082 4.567 -0.485 1
1 513 . 7 1 1 A 63 63 GLN C C 60 179.023 178.626 0.397 1
1 514 . 7 1 1 A 63 63 GLN CA C 60 58.106 58.993 -0.887 1
1 515 . 7 1 1 A 63 63 GLN CB C 60 29.283 28.056 1.227 1
1 517 . 7 1 1 A 63 63 GLN N N 60 116.638 118.950 -2.312 1
1 518 . 7 1 1 A 64 64 CYS H H 61 8.543 8.317 0.226 1
1 519 . 7 1 1 A 64 64 CYS HA H 61 3.951 4.363 -0.412 1
1 522 . 7 1 1 A 64 64 CYS C C 61 176.171 176.423 -0.252 1
1 523 . 7 1 1 A 64 64 CYS CA C 61 64.735 59.029 5.706 1
1 524 . 7 1 1 A 64 64 CYS CB C 61 40.828 42.266 -1.438 1
1 525 . 7 1 1 A 64 64 CYS N N 61 118.614 118.569 0.045 1
1 526 . 7 1 1 A 65 65 ALA H H 62 7.791 7.920 -0.129 1
1 527 . 7 1 1 A 65 65 ALA HA H 62 4.021 3.982 0.039 1
1 531 . 7 1 1 A 65 65 ALA C C 62 180.353 179.442 0.911 1
1 532 . 7 1 1 A 65 65 ALA CA C 62 55.249 55.330 -0.081 1
1 533 . 7 1 1 A 65 65 ALA CB C 62 18.069 18.227 -0.158 1
1 534 . 7 1 1 A 65 65 ALA N N 62 119.479 123.045 -3.566 1
1 535 . 7 1 1 A 66 66 GLU H H 63 7.685 7.993 -0.308 1
1 536 . 7 1 1 A 66 66 GLU HA H 63 4.041 4.101 -0.060 1
1 541 . 7 1 1 A 66 66 GLU C C 63 179.701 178.248 1.453 1
1 542 . 7 1 1 A 66 66 GLU CA C 63 59.440 59.353 0.087 1
1 543 . 7 1 1 A 66 66 GLU CB C 63 29.735 29.076 0.659 1
1 545 . 7 1 1 A 66 66 GLU N N 63 117.981 116.589 1.392 1
1 546 . 7 1 1 A 67 67 VAL H H 64 7.795 8.197 -0.402 1
1 547 . 7 1 1 A 67 67 VAL HA H 64 3.826 4.370 -0.544 1
1 555 . 7 1 1 A 67 67 VAL C C 64 178.078 177.898 0.180 1
1 556 . 7 1 1 A 67 67 VAL CA C 64 66.262 65.825 0.437 1
1 557 . 7 1 1 A 67 67 VAL CB C 64 31.703 31.237 0.466 1
1 560 . 7 1 1 A 67 67 VAL N N 64 120.422 117.049 3.373 1
1 561 . 7 1 1 A 68 68 LEU H H 65 8.563 8.029 0.534 1
1 562 . 7 1 1 A 68 68 LEU HA H 65 3.897 3.957 -0.060 1
1 572 . 7 1 1 A 68 68 LEU C C 65 180.593 178.511 2.082 1
1 573 . 7 1 1 A 68 68 LEU CA C 65 58.495 58.725 -0.230 1
1 574 . 7 1 1 A 68 68 LEU CB C 65 41.633 41.432 0.201 1
1 578 . 7 1 1 A 68 68 LEU N N 65 119.314 124.846 -5.532 1
1 579 . 7 1 1 A 69 69 GLU H H 66 8.071 7.900 0.171 1
1 580 . 7 1 1 A 69 69 GLU HA H 66 3.947 4.630 -0.683 1
1 585 . 7 1 1 A 69 69 GLU C C 66 178.591 179.533 -0.942 1
1 586 . 7 1 1 A 69 69 GLU CA C 66 59.727 59.609 0.118 1
1 587 . 7 1 1 A 69 69 GLU CB C 66 29.549 28.907 0.642 1
1 589 . 7 1 1 A 69 69 GLU N N 66 120.124 118.427 1.697 1
1 590 . 7 1 1 A 70 70 GLU H H 67 7.471 8.051 -0.580 1
1 591 . 7 1 1 A 70 70 GLU HA H 67 4.111 4.091 0.020 1
1 596 . 7 1 1 A 70 70 GLU C C 67 179.873 178.303 1.570 1
1 597 . 7 1 1 A 70 70 GLU CA C 67 59.439 59.216 0.223 1
1 598 . 7 1 1 A 70 70 GLU CB C 67 30.021 29.214 0.807 1
1 600 . 7 1 1 A 70 70 GLU N N 67 119.545 118.722 0.823 1
1 601 . 7 1 1 A 71 71 VAL H H 68 8.790 7.428 1.362 1
1 602 . 7 1 1 A 71 71 VAL HA H 68 4.137 3.897 0.240 1
1 610 . 7 1 1 A 71 71 VAL C C 68 178.818 177.813 1.005 1
1 611 . 7 1 1 A 71 71 VAL CA C 68 64.321 65.586 -1.265 1
1 612 . 7 1 1 A 71 71 VAL CB C 68 31.230 31.478 -0.248 1
1 615 . 7 1 1 A 71 71 VAL N N 68 111.497 116.481 -4.984 1
1 616 . 7 1 1 A 72 72 THR H H 69 8.231 8.251 -0.020 1
1 617 . 7 1 1 A 72 72 THR HA H 69 4.161 4.358 -0.197 1
1 622 . 7 1 1 A 72 72 THR C C 69 177.502 177.036 0.466 1
1 623 . 7 1 1 A 72 72 THR CA C 69 66.179 65.047 1.132 1
1 624 . 7 1 1 A 72 72 THR CB C 69 68.770 68.520 0.250 1
1 626 . 7 1 1 A 72 72 THR N N 69 118.078 114.068 4.010 1
1 627 . 7 1 1 A 73 73 ALA H H 70 7.177 8.208 -1.031 1
1 628 . 7 1 1 A 73 73 ALA HA H 70 4.139 4.185 -0.046 1
1 632 . 7 1 1 A 73 73 ALA C C 70 179.116 179.455 -0.339 1
1 633 . 7 1 1 A 73 73 ALA CA C 70 54.690 54.549 0.141 1
1 634 . 7 1 1 A 73 73 ALA CB C 70 18.039 18.309 -0.270 1
1 635 . 7 1 1 A 73 73 ALA N N 70 123.757 123.573 0.184 1
1 636 . 7 1 1 A 74 74 ILE H H 71 6.874 7.345 -0.471 1
1 637 . 7 1 1 A 74 74 ILE HA H 71 3.988 4.125 -0.137 1
1 647 . 7 1 1 A 74 74 ILE C C 71 176.201 175.925 0.276 1
1 648 . 7 1 1 A 74 74 ILE CA C 71 61.927 61.909 0.018 1
1 649 . 7 1 1 A 74 74 ILE CB C 71 38.431 38.792 -0.361 1
1 653 . 7 1 1 A 74 74 ILE N N 71 113.131 115.426 -2.295 1
1 654 . 7 1 1 A 75 75 GLY H H 72 7.476 7.837 -0.361 1
1 655 . 7 1 1 A 75 75 GLY HA2 H 72 3.663 3.891 -0.228 1
1 656 . 7 1 1 A 75 75 GLY HA3 H 72 4.166 3.983 0.183 1
1 657 . 7 1 1 A 75 75 GLY C C 72 174.832 173.969 0.863 1
1 658 . 7 1 1 A 75 75 GLY CA C 72 45.144 44.905 0.239 1
1 659 . 7 1 1 A 75 75 GLY N N 72 106.405 108.093 -1.688 1
1 660 . 7 1 1 A 76 76 TYR H H 73 7.340 8.000 -0.660 1
1 661 . 7 1 1 A 76 76 TYR HA H 73 5.184 4.599 0.585 1
1 668 . 7 1 1 A 76 76 TYR C C 73 173.889 174.325 -0.436 1
1 669 . 7 1 1 A 76 76 TYR CA C 73 52.922 56.456 -3.534 1
1 670 . 7 1 1 A 76 76 TYR CB C 73 36.723 38.659 -1.936 1
1 675 . 7 1 1 A 76 76 TYR N N 73 122.416 120.703 1.713 1
1 676 . 7 1 1 A 77 77 PRO HA H 74 4.394 4.506 -0.112 1
1 683 . 7 1 1 A 77 77 PRO C C 74 175.722 176.285 -0.563 1
1 684 . 7 1 1 A 77 77 PRO CA C 74 63.242 63.094 0.148 1
1 685 . 7 1 1 A 77 77 PRO CB C 74 32.460 32.187 0.273 1
1 688 . 7 1 1 A 78 78 ALA H H 75 7.778 8.311 -0.533 1
1 689 . 7 1 1 A 78 78 ALA HA H 75 5.239 5.201 0.038 1
1 693 . 7 1 1 A 78 78 ALA C C 75 176.207 175.541 0.666 1
1 694 . 7 1 1 A 78 78 ALA CA C 75 51.422 50.751 0.671 1
1 695 . 7 1 1 A 78 78 ALA CB C 75 25.258 24.376 0.882 1
1 696 . 7 1 1 A 78 78 ALA N N 75 122.638 122.706 -0.068 1
1 697 . 7 1 1 A 79 79 LYS H H 76 9.213 8.980 0.233 1
1 698 . 7 1 1 A 79 79 LYS HA H 76 4.632 5.119 -0.487 1
1 707 . 7 1 1 A 79 79 LYS C C 76 173.669 175.061 -1.392 1
1 708 . 7 1 1 A 79 79 LYS CA C 76 55.912 54.666 1.246 1
1 709 . 7 1 1 A 79 79 LYS CB C 76 36.309 36.022 0.287 1
1 713 . 7 1 1 A 79 79 LYS N N 76 115.751 115.449 0.302 1
1 714 . 7 1 1 A 80 80 CYS H H 77 8.602 8.810 -0.208 1
1 715 . 7 1 1 A 80 80 CYS HA H 77 5.535 6.353 -0.818 1
1 718 . 7 1 1 A 80 80 CYS C C 77 174.029 172.430 1.599 1
1 719 . 7 1 1 A 80 80 CYS CA C 77 56.029 55.438 0.591 1
1 720 . 7 1 1 A 80 80 CYS CB C 77 47.796 43.902 3.894 1
1 721 . 7 1 1 A 80 80 CYS N N 77 119.633 117.085 2.548 1
1 722 . 7 1 1 A 81 81 CYS H H 78 9.428 9.039 0.389 1
1 723 . 7 1 1 A 81 81 CYS HA H 78 5.391 5.588 -0.197 1
1 726 . 7 1 1 A 81 81 CYS C C 78 173.980 172.491 1.489 1
1 727 . 7 1 1 A 81 81 CYS CA C 78 54.237 53.696 0.541 1
1 728 . 7 1 1 A 81 81 CYS CB C 78 47.557 45.603 1.954 1
1 729 . 7 1 1 A 81 81 CYS N N 78 120.091 122.422 -2.331 1
1 730 . 7 1 1 A 82 82 CYS H H 79 9.291 8.869 0.422 1
1 731 . 7 1 1 A 82 82 CYS HA H 79 5.134 5.376 -0.242 1
1 734 . 7 1 1 A 82 82 CYS C C 79 172.349 173.565 -1.216 1
1 735 . 7 1 1 A 82 82 CYS CA C 79 56.628 57.513 -0.885 1
1 736 . 7 1 1 A 82 82 CYS CB C 79 46.122 28.787 17.335 1
1 737 . 7 1 1 A 82 82 CYS N N 79 117.137 120.719 -3.582 1
1 738 . 7 1 1 A 83 83 GLU H H 80 7.283 8.514 -1.231 1
1 739 . 7 1 1 A 83 83 GLU HA H 80 4.625 4.671 -0.046 1
1 744 . 7 1 1 A 83 83 GLU C C 80 174.435 174.466 -0.031 1
1 745 . 7 1 1 A 83 83 GLU CA C 80 54.873 56.118 -1.245 1
1 746 . 7 1 1 A 83 83 GLU CB C 80 33.106 33.881 -0.775 1
1 748 . 7 1 1 A 83 83 GLU N N 80 120.821 124.290 -3.469 1
1 749 . 7 1 1 A 84 84 ASP H H 81 8.433 8.677 -0.244 1
1 750 . 7 1 1 A 84 84 ASP HA H 81 4.956 4.438 0.518 1
1 753 . 7 1 1 A 84 84 ASP C C 81 178.149 176.762 1.387 1
1 754 . 7 1 1 A 84 84 ASP CA C 81 55.409 55.142 0.267 1
1 755 . 7 1 1 A 84 84 ASP CB C 81 40.817 40.959 -0.142 1
1 756 . 7 1 1 A 84 84 ASP N N 81 121.789 125.264 -3.475 1
1 757 . 7 1 1 A 85 85 LEU H H 82 9.244 9.266 -0.022 1
1 758 . 7 1 1 A 85 85 LEU HA H 82 3.308 3.763 -0.455 1
1 765 . 7 1 1 A 85 85 LEU C C 82 176.858 176.796 0.062 1
1 766 . 7 1 1 A 85 85 LEU CA C 82 56.047 56.427 -0.380 1
1 767 . 7 1 1 A 85 85 LEU CB C 82 36.885 39.907 -3.022 1
1 770 . 7 1 1 A 85 85 LEU N N 82 114.422 117.640 -3.218 1
1 771 . 7 1 1 A 86 86 CYS H H 83 8.005 7.891 0.114 1
1 772 . 7 1 1 A 86 86 CYS HA H 83 4.547 4.475 0.072 1
1 775 . 7 1 1 A 86 86 CYS C C 83 174.632 175.309 -0.677 1
1 776 . 7 1 1 A 86 86 CYS CA C 83 57.206 58.918 -1.712 1
1 777 . 7 1 1 A 86 86 CYS CB C 83 47.155 41.767 5.388 1
1 778 . 7 1 1 A 86 86 CYS N N 83 112.558 117.334 -4.776 1
1 779 . 7 1 1 A 87 87 ASN H H 84 8.859 8.378 0.481 1
1 780 . 7 1 1 A 87 87 ASN HA H 84 4.526 4.897 -0.371 1
1 783 . 7 1 1 A 87 87 ASN C C 84 172.146 175.370 -3.224 1
1 784 . 7 1 1 A 87 87 ASN CA C 84 52.617 52.358 0.259 1
1 785 . 7 1 1 A 87 87 ASN CB C 84 36.673 37.397 -0.724 1
1 786 . 7 1 1 A 87 87 ASN N N 84 119.985 114.987 4.998 1
1 787 . 7 1 1 A 88 88 ARG H H 85 7.353 7.176 0.177 1
1 788 . 7 1 1 A 88 88 ARG HA H 85 3.734 4.076 -0.342 1
1 795 . 7 1 1 A 88 88 ARG C C 85 173.901 175.501 -1.600 1
1 796 . 7 1 1 A 88 88 ARG CA C 85 55.058 55.924 -0.866 1
1 797 . 7 1 1 A 88 88 ARG CB C 85 31.857 30.455 1.402 1
1 800 . 7 1 1 A 88 88 ARG N N 85 118.446 119.130 -0.684 1
1 801 . 7 1 1 A 89 89 SER H H 86 7.987 8.308 -0.321 1
1 802 . 7 1 1 A 89 89 SER HA H 86 3.689 4.234 -0.545 1
1 805 . 7 1 1 A 89 89 SER C C 86 174.342 176.180 -1.838 1
1 806 . 7 1 1 A 89 89 SER CA C 86 57.844 58.391 -0.547 1
1 807 . 7 1 1 A 89 89 SER CB C 86 63.504 63.490 0.014 1
1 808 . 7 1 1 A 89 89 SER N N 86 115.514 116.689 -1.175 1
1 809 . 7 1 1 A 90 90 GLU H H 87 8.461 9.519 -1.058 1
1 810 . 7 1 1 A 90 90 GLU HA H 87 4.125 4.529 -0.404 1
1 815 . 7 1 1 A 90 90 GLU C C 87 175.632 176.148 -0.516 1
1 816 . 7 1 1 A 90 90 GLU CA C 87 56.799 57.238 -0.439 1
1 817 . 7 1 1 A 90 90 GLU CB C 87 30.049 30.060 -0.011 1
1 819 . 7 1 1 A 90 90 GLU N N 87 122.917 126.900 -3.983 1
1 16 . 8 1 1 A 22 22 ALA H H 19 8.052 8.786 -0.734 1
1 17 . 8 1 1 A 22 22 ALA HA H 19 4.191 4.771 -0.580 1
1 21 . 8 1 1 A 22 22 ALA C C 19 176.151 175.540 0.611 1
1 22 . 8 1 1 A 22 22 ALA CA C 19 51.960 51.266 0.694 1
1 23 . 8 1 1 A 22 22 ALA CB C 19 19.784 23.777 -3.993 1
1 24 . 8 1 1 A 22 22 ALA N N 19 125.891 124.660 1.231 1
1 25 . 8 1 1 A 23 23 LEU H H 20 8.117 8.786 -0.669 1
1 26 . 8 1 1 A 23 23 LEU HA H 20 4.273 4.849 -0.576 1
1 36 . 8 1 1 A 23 23 LEU C C 20 174.307 174.662 -0.355 1
1 37 . 8 1 1 A 23 23 LEU CA C 20 54.838 54.294 0.544 1
1 38 . 8 1 1 A 23 23 LEU CB C 20 44.574 46.010 -1.436 1
1 42 . 8 1 1 A 23 23 LEU N N 20 125.488 120.157 5.331 1
1 43 . 8 1 1 A 24 24 LYS H H 21 7.915 9.027 -1.112 1
1 44 . 8 1 1 A 24 24 LYS HA H 21 5.287 4.787 0.500 1
1 53 . 8 1 1 A 24 24 LYS C C 21 175.901 176.110 -0.209 1
1 54 . 8 1 1 A 24 24 LYS CA C 21 54.174 56.177 -2.003 1
1 55 . 8 1 1 A 24 24 LYS CB C 21 34.841 32.770 2.071 1
1 59 . 8 1 1 A 24 24 LYS N N 21 122.369 125.067 -2.698 1
1 60 . 8 1 1 A 25 25 CYS H H 22 8.426 9.081 -0.655 1
1 61 . 8 1 1 A 25 25 CYS HA H 22 4.886 4.993 -0.107 1
1 64 . 8 1 1 A 25 25 CYS C C 22 175.309 172.722 2.587 1
1 65 . 8 1 1 A 25 25 CYS CA C 22 51.680 55.611 -3.931 1
1 66 . 8 1 1 A 25 25 CYS CB C 22 41.829 46.273 -4.444 1
1 67 . 8 1 1 A 25 25 CYS N N 22 117.505 119.966 -2.461 1
1 68 . 8 1 1 A 26 26 PHE H H 23 8.960 8.648 0.312 1
1 69 . 8 1 1 A 26 26 PHE HA H 23 5.057 5.112 -0.055 1
1 74 . 8 1 1 A 26 26 PHE C C 23 176.694 175.513 1.181 1
1 75 . 8 1 1 A 26 26 PHE CA C 23 60.302 57.320 2.982 1
1 76 . 8 1 1 A 26 26 PHE CB C 23 39.490 40.186 -0.696 1
1 79 . 8 1 1 A 26 26 PHE N N 23 120.038 121.966 -1.928 1
1 80 . 8 1 1 A 27 27 THR H H 24 9.071 9.067 0.004 1
1 81 . 8 1 1 A 27 27 THR HA H 24 4.960 4.751 0.209 1
1 86 . 8 1 1 A 27 27 THR C C 24 173.722 173.882 -0.160 1
1 87 . 8 1 1 A 27 27 THR CA C 24 59.835 61.229 -1.394 1
1 88 . 8 1 1 A 27 27 THR CB C 24 71.382 70.874 0.508 1
1 90 . 8 1 1 A 27 27 THR N N 24 114.266 118.711 -4.445 1
1 91 . 8 1 1 A 28 28 ARG H H 25 8.398 8.542 -0.144 1
1 92 . 8 1 1 A 28 28 ARG HA H 25 5.158 4.990 0.168 1
1 99 . 8 1 1 A 28 28 ARG C C 25 175.547 175.158 0.389 1
1 100 . 8 1 1 A 28 28 ARG CA C 25 54.586 56.005 -1.419 1
1 101 . 8 1 1 A 28 28 ARG CB C 25 32.443 30.928 1.515 1
1 104 . 8 1 1 A 28 28 ARG N N 25 123.189 127.026 -3.837 1
1 105 . 8 1 1 A 29 29 ASN H H 26 8.589 9.317 -0.728 1
1 106 . 8 1 1 A 29 29 ASN HA H 26 4.938 5.038 -0.100 1
1 109 . 8 1 1 A 29 29 ASN C C 26 175.273 175.571 -0.298 1
1 110 . 8 1 1 A 29 29 ASN CA C 26 52.276 52.058 0.218 1
1 111 . 8 1 1 A 29 29 ASN CB C 26 39.660 37.339 2.321 1
1 112 . 8 1 1 A 29 29 ASN N N 26 125.242 124.096 1.146 1
1 113 . 8 1 1 A 30 30 GLY H H 27 9.046 8.475 0.571 1
1 114 . 8 1 1 A 30 30 GLY HA2 H 27 3.649 3.863 -0.214 1
1 115 . 8 1 1 A 30 30 GLY HA3 H 27 3.996 3.864 0.132 1
1 116 . 8 1 1 A 30 30 GLY C C 27 174.707 174.502 0.205 1
1 117 . 8 1 1 A 30 30 GLY CA C 27 46.906 47.322 -0.416 1
1 118 . 8 1 1 A 30 30 GLY N N 27 115.613 115.630 -0.017 1
1 119 . 8 1 1 A 31 31 ASP H H 28 8.956 8.813 0.143 1
1 120 . 8 1 1 A 31 31 ASP HA H 28 4.648 4.641 0.007 1
1 123 . 8 1 1 A 31 31 ASP C C 28 175.670 175.788 -0.118 1
1 124 . 8 1 1 A 31 31 ASP CA C 28 54.939 54.977 -0.038 1
1 125 . 8 1 1 A 31 31 ASP CB C 28 41.505 41.583 -0.078 1
1 126 . 8 1 1 A 31 31 ASP N N 28 126.791 126.817 -0.026 1
1 127 . 8 1 1 A 32 32 ASP H H 29 7.973 7.340 0.633 1
1 128 . 8 1 1 A 32 32 ASP HA H 29 4.778 4.538 0.240 1
1 131 . 8 1 1 A 32 32 ASP C C 29 174.871 175.419 -0.548 1
1 132 . 8 1 1 A 32 32 ASP CA C 29 54.192 54.380 -0.188 1
1 133 . 8 1 1 A 32 32 ASP CB C 29 42.663 41.194 1.469 1
1 134 . 8 1 1 A 32 32 ASP N N 29 120.240 120.981 -0.741 1
1 135 . 8 1 1 A 33 33 ARG H H 30 8.682 9.084 -0.402 1
1 136 . 8 1 1 A 33 33 ARG HA H 30 5.020 5.409 -0.389 1
1 143 . 8 1 1 A 33 33 ARG C C 30 175.569 174.823 0.746 1
1 144 . 8 1 1 A 33 33 ARG CA C 30 55.487 54.534 0.953 1
1 145 . 8 1 1 A 33 33 ARG CB C 30 31.962 32.490 -0.528 1
1 148 . 8 1 1 A 33 33 ARG N N 30 125.183 122.478 2.705 1
1 149 . 8 1 1 A 34 34 THR H H 31 8.976 9.006 -0.030 1
1 150 . 8 1 1 A 34 34 THR HA H 31 4.764 4.844 -0.080 1
1 155 . 8 1 1 A 34 34 THR C C 31 172.745 174.356 -1.611 1
1 156 . 8 1 1 A 34 34 THR CA C 31 59.891 62.075 -2.184 1
1 157 . 8 1 1 A 34 34 THR CB C 31 71.522 70.156 1.366 1
1 159 . 8 1 1 A 34 34 THR N N 31 120.162 120.249 -0.087 1
1 160 . 8 1 1 A 35 35 VAL H H 32 8.286 8.392 -0.106 1
1 161 . 8 1 1 A 35 35 VAL HA H 32 4.110 3.647 0.463 1
1 169 . 8 1 1 A 35 35 VAL C C 32 175.720 175.360 0.360 1
1 170 . 8 1 1 A 35 35 VAL CA C 32 62.838 63.066 -0.228 1
1 171 . 8 1 1 A 35 35 VAL CB C 32 32.883 30.701 2.182 1
1 174 . 8 1 1 A 35 35 VAL N N 32 122.209 127.203 -4.994 1
1 175 . 8 1 1 A 36 36 THR H H 33 8.749 8.697 0.052 1
1 176 . 8 1 1 A 36 36 THR HA H 33 4.486 5.230 -0.744 1
1 181 . 8 1 1 A 36 36 THR C C 33 173.029 172.667 0.362 1
1 182 . 8 1 1 A 36 36 THR CA C 33 61.029 59.279 1.750 1
1 183 . 8 1 1 A 36 36 THR CB C 33 71.425 71.573 -0.148 1
1 185 . 8 1 1 A 36 36 THR N N 33 125.259 118.183 7.076 1
1 186 . 8 1 1 A 37 37 THR H H 34 8.544 8.690 -0.146 1
1 187 . 8 1 1 A 37 37 THR HA H 34 4.371 4.496 -0.125 1
1 192 . 8 1 1 A 37 37 THR C C 34 173.839 172.944 0.895 1
1 193 . 8 1 1 A 37 37 THR CA C 34 62.892 61.386 1.506 1
1 194 . 8 1 1 A 37 37 THR CB C 34 68.156 69.303 -1.147 1
1 196 . 8 1 1 A 37 37 THR N N 34 122.774 118.512 4.262 1
1 197 . 8 1 1 A 38 38 CYS H H 35 9.227 9.580 -0.353 1
1 198 . 8 1 1 A 38 38 CYS HA H 35 4.516 5.081 -0.565 1
1 201 . 8 1 1 A 38 38 CYS C C 35 174.923 174.085 0.838 1
1 202 . 8 1 1 A 38 38 CYS CA C 35 52.962 54.748 -1.786 1
1 203 . 8 1 1 A 38 38 CYS CB C 35 37.439 43.609 -6.170 1
1 204 . 8 1 1 A 38 38 CYS N N 35 129.056 127.193 1.863 1
1 205 . 8 1 1 A 39 39 ALA H H 36 8.113 8.780 -0.667 1
1 206 . 8 1 1 A 39 39 ALA HA H 36 4.313 4.439 -0.126 1
1 210 . 8 1 1 A 39 39 ALA C C 36 178.809 178.297 0.512 1
1 211 . 8 1 1 A 39 39 ALA CA C 36 52.125 51.895 0.230 1
1 212 . 8 1 1 A 39 39 ALA CB C 36 19.235 20.083 -0.848 1
1 213 . 8 1 1 A 39 39 ALA N N 36 122.621 125.863 -3.242 1
1 214 . 8 1 1 A 40 40 GLU H H 37 8.701 9.044 -0.343 1
1 215 . 8 1 1 A 40 40 GLU HA H 37 3.826 3.985 -0.159 1
1 220 . 8 1 1 A 40 40 GLU C C 37 177.999 178.300 -0.301 1
1 221 . 8 1 1 A 40 40 GLU CA C 37 60.104 59.683 0.421 1
1 222 . 8 1 1 A 40 40 GLU CB C 37 29.712 29.314 0.398 1
1 224 . 8 1 1 A 40 40 GLU N N 37 120.905 120.401 0.504 1
1 225 . 8 1 1 A 41 41 GLU H H 38 8.870 8.778 0.092 1
1 226 . 8 1 1 A 41 41 GLU HA H 38 4.233 4.122 0.111 1
1 231 . 8 1 1 A 41 41 GLU C C 38 176.790 177.136 -0.346 1
1 232 . 8 1 1 A 41 41 GLU CA C 38 57.438 59.439 -2.001 1
1 233 . 8 1 1 A 41 41 GLU CB C 38 28.813 29.100 -0.287 1
1 235 . 8 1 1 A 41 41 GLU N N 38 113.838 117.326 -3.488 1
1 236 . 8 1 1 A 42 42 GLN H H 39 7.935 7.837 0.098 1
1 237 . 8 1 1 A 42 42 GLN HA H 39 4.069 4.619 -0.550 1
1 242 . 8 1 1 A 42 42 GLN C C 39 174.033 175.980 -1.947 1
1 243 . 8 1 1 A 42 42 GLN CA C 39 55.177 54.117 1.060 1
1 244 . 8 1 1 A 42 42 GLN CB C 39 28.144 27.313 0.831 1
1 246 . 8 1 1 A 42 42 GLN N N 39 120.919 118.588 2.331 1
1 247 . 8 1 1 A 43 43 THR H H 40 6.846 8.269 -1.423 1
1 248 . 8 1 1 A 43 43 THR HA H 40 4.340 4.417 -0.077 1
1 253 . 8 1 1 A 43 43 THR C C 40 175.221 173.441 1.780 1
1 254 . 8 1 1 A 43 43 THR CA C 40 60.677 61.748 -1.071 1
1 255 . 8 1 1 A 43 43 THR CB C 40 68.516 68.856 -0.340 1
1 257 . 8 1 1 A 43 43 THR N N 40 109.859 114.961 -5.102 1
1 258 . 8 1 1 A 44 44 ARG H H 41 8.496 7.589 0.907 1
1 259 . 8 1 1 A 44 44 ARG HA H 41 5.001 4.713 0.288 1
1 266 . 8 1 1 A 44 44 ARG C C 41 174.082 175.146 -1.064 1
1 267 . 8 1 1 A 44 44 ARG CA C 41 52.838 54.120 -1.282 1
1 268 . 8 1 1 A 44 44 ARG CB C 41 34.466 33.376 1.090 1
1 271 . 8 1 1 A 44 44 ARG N N 41 122.000 120.331 1.669 1
1 272 . 8 1 1 A 45 45 CYS H H 42 8.814 8.769 0.045 1
1 273 . 8 1 1 A 45 45 CYS HA H 42 5.566 5.553 0.013 1
1 276 . 8 1 1 A 45 45 CYS C C 42 173.806 172.112 1.694 1
1 277 . 8 1 1 A 45 45 CYS CA C 42 51.956 54.798 -2.842 1
1 278 . 8 1 1 A 45 45 CYS CB C 42 38.526 47.724 -9.198 1
1 279 . 8 1 1 A 45 45 CYS N N 42 115.378 117.730 -2.352 1
1 280 . 8 1 1 A 46 46 LEU H H 43 9.234 9.667 -0.433 1
1 281 . 8 1 1 A 46 46 LEU HA H 43 5.382 5.047 0.335 1
1 291 . 8 1 1 A 46 46 LEU C C 43 176.639 174.792 1.847 1
1 292 . 8 1 1 A 46 46 LEU CA C 43 53.739 53.635 0.104 1
1 293 . 8 1 1 A 46 46 LEU CB C 43 46.024 44.891 1.133 1
1 297 . 8 1 1 A 46 46 LEU N N 43 122.940 122.808 0.132 1
1 298 . 8 1 1 A 47 47 PHE H H 44 9.048 9.189 -0.141 1
1 299 . 8 1 1 A 47 47 PHE HA H 44 5.700 5.708 -0.008 1
1 306 . 8 1 1 A 47 47 PHE C C 44 173.708 173.673 0.035 1
1 307 . 8 1 1 A 47 47 PHE CA C 44 56.494 55.047 1.447 1
1 308 . 8 1 1 A 47 47 PHE CB C 44 44.246 41.455 2.791 1
1 313 . 8 1 1 A 47 47 PHE N N 44 128.522 127.200 1.322 1
1 314 . 8 1 1 A 48 48 VAL H H 45 8.086 9.183 -1.097 1
1 315 . 8 1 1 A 48 48 VAL HA H 45 4.234 4.520 -0.286 1
1 323 . 8 1 1 A 48 48 VAL C C 45 173.728 175.229 -1.501 1
1 324 . 8 1 1 A 48 48 VAL CA C 45 61.110 60.751 0.359 1
1 325 . 8 1 1 A 48 48 VAL CB C 45 36.121 33.688 2.433 1
1 328 . 8 1 1 A 48 48 VAL N N 45 124.455 127.916 -3.461 1
1 329 . 8 1 1 A 49 49 GLN H H 46 8.391 8.872 -0.481 1
1 330 . 8 1 1 A 49 49 GLN HA H 46 4.155 4.674 -0.519 1
1 335 . 8 1 1 A 49 49 GLN C C 46 174.214 175.526 -1.312 1
1 336 . 8 1 1 A 49 49 GLN CA C 46 54.491 56.175 -1.684 1
1 337 . 8 1 1 A 49 49 GLN CB C 46 29.986 29.684 0.302 1
1 339 . 8 1 1 A 49 49 GLN N N 46 126.537 126.483 0.054 1
1 340 . 8 1 1 A 50 50 LEU H H 47 7.646 8.386 -0.740 1
1 341 . 8 1 1 A 50 50 LEU HA H 47 3.856 4.876 -1.020 1
1 351 . 8 1 1 A 50 50 LEU C C 47 175.649 176.624 -0.975 1
1 352 . 8 1 1 A 50 50 LEU CA C 47 53.706 51.364 2.342 1
1 353 . 8 1 1 A 50 50 LEU CB C 47 39.821 45.159 -5.338 1
1 357 . 8 1 1 A 50 50 LEU N N 47 127.637 124.329 3.308 1
1 358 . 8 1 1 A 51 51 PRO HA H 48 3.921 4.379 -0.458 1
1 365 . 8 1 1 A 51 51 PRO C C 48 177.492 175.888 1.604 1
1 366 . 8 1 1 A 51 51 PRO CA C 48 65.923 63.675 2.248 1
1 367 . 8 1 1 A 51 51 PRO CB C 48 31.509 31.907 -0.398 1
1 370 . 8 1 1 A 52 52 TYR H H 49 7.517 7.823 -0.306 1
1 371 . 8 1 1 A 52 52 TYR HA H 49 4.790 4.789 0.001 1
1 378 . 8 1 1 A 52 52 TYR C C 49 175.214 175.650 -0.436 1
1 379 . 8 1 1 A 52 52 TYR CA C 49 55.767 58.563 -2.796 1
1 380 . 8 1 1 A 52 52 TYR CB C 49 39.277 40.755 -1.478 1
1 385 . 8 1 1 A 52 52 TYR N N 49 109.643 117.319 -7.676 1
1 386 . 8 1 1 A 53 53 SER H H 50 6.986 7.958 -0.972 1
1 387 . 8 1 1 A 53 53 SER HA H 50 4.409 4.591 -0.182 1
1 390 . 8 1 1 A 53 53 SER C C 50 171.925 172.082 -0.157 1
1 391 . 8 1 1 A 53 53 SER CA C 50 57.189 57.737 -0.548 1
1 392 . 8 1 1 A 53 53 SER CB C 50 63.786 64.202 -0.416 1
1 393 . 8 1 1 A 53 53 SER N N 50 112.994 110.939 2.055 1
1 394 . 8 1 1 A 54 54 GLU H H 51 7.890 8.599 -0.709 1
1 395 . 8 1 1 A 54 54 GLU HA H 51 4.903 5.228 -0.325 1
1 400 . 8 1 1 A 54 54 GLU C C 51 175.536 175.511 0.025 1
1 401 . 8 1 1 A 54 54 GLU CA C 51 54.722 54.545 0.177 1
1 402 . 8 1 1 A 54 54 GLU CB C 51 33.225 33.871 -0.646 1
1 404 . 8 1 1 A 54 54 GLU N N 51 115.330 118.916 -3.586 1
1 405 . 8 1 1 A 55 55 ILE H H 52 8.600 8.681 -0.081 1
1 406 . 8 1 1 A 55 55 ILE HA H 52 4.302 4.517 -0.215 1
1 416 . 8 1 1 A 55 55 ILE C C 52 175.783 175.588 0.195 1
1 417 . 8 1 1 A 55 55 ILE CA C 52 60.360 60.305 0.055 1
1 418 . 8 1 1 A 55 55 ILE CB C 52 39.228 37.822 1.406 1
1 422 . 8 1 1 A 55 55 ILE N N 52 122.129 124.899 -2.770 1
1 423 . 8 1 1 A 56 56 GLN H H 53 8.573 8.667 -0.094 1
1 424 . 8 1 1 A 56 56 GLN HA H 53 5.394 5.904 -0.510 1
1 429 . 8 1 1 A 56 56 GLN C C 53 174.379 174.647 -0.268 1
1 430 . 8 1 1 A 56 56 GLN CA C 53 54.790 54.519 0.271 1
1 431 . 8 1 1 A 56 56 GLN CB C 53 33.315 32.266 1.049 1
1 433 . 8 1 1 A 56 56 GLN N N 53 126.768 125.939 0.829 1
1 434 . 8 1 1 A 57 57 GLU H H 54 7.782 8.522 -0.740 1
1 435 . 8 1 1 A 57 57 GLU HA H 54 4.967 4.652 0.315 1
1 440 . 8 1 1 A 57 57 GLU C C 54 176.345 174.397 1.948 1
1 441 . 8 1 1 A 57 57 GLU CA C 54 55.405 56.203 -0.798 1
1 442 . 8 1 1 A 57 57 GLU CB C 54 36.080 33.910 2.170 1
1 444 . 8 1 1 A 57 57 GLU N N 54 117.990 122.596 -4.606 1
1 445 . 8 1 1 A 58 58 CYS H H 55 8.780 8.444 0.336 1
1 446 . 8 1 1 A 58 58 CYS HA H 55 5.145 5.341 -0.196 1
1 449 . 8 1 1 A 58 58 CYS C C 55 175.293 173.190 2.103 1
1 450 . 8 1 1 A 58 58 CYS CA C 55 57.749 54.980 2.769 1
1 451 . 8 1 1 A 58 58 CYS CB C 55 45.523 43.810 1.713 1
1 452 . 8 1 1 A 58 58 CYS N N 55 119.662 121.945 -2.283 1
1 453 . 8 1 1 A 59 59 LYS H H 56 9.277 8.725 0.552 1
1 454 . 8 1 1 A 59 59 LYS HA H 56 4.896 5.148 -0.252 1
1 463 . 8 1 1 A 59 59 LYS C C 56 176.049 175.045 1.004 1
1 464 . 8 1 1 A 59 59 LYS CA C 56 53.903 54.849 -0.946 1
1 465 . 8 1 1 A 59 59 LYS CB C 56 40.637 36.440 4.197 1
1 469 . 8 1 1 A 59 59 LYS N N 56 120.535 124.693 -4.158 1
1 470 . 8 1 1 A 60 60 THR H H 57 7.997 8.769 -0.772 1
1 471 . 8 1 1 A 60 60 THR HA H 57 4.876 4.567 0.309 1
1 476 . 8 1 1 A 60 60 THR C C 57 175.637 176.387 -0.750 1
1 477 . 8 1 1 A 60 60 THR CA C 57 61.017 61.414 -0.397 1
1 478 . 8 1 1 A 60 60 THR CB C 57 70.774 70.421 0.353 1
1 480 . 8 1 1 A 60 60 THR N N 57 108.910 115.026 -6.116 1
1 481 . 8 1 1 A 61 61 VAL H H 58 8.689 8.742 -0.053 1
1 482 . 8 1 1 A 61 61 VAL HA H 58 3.477 3.644 -0.167 1
1 490 . 8 1 1 A 61 61 VAL C C 58 178.541 177.424 1.117 1
1 491 . 8 1 1 A 61 61 VAL CA C 58 67.024 67.149 -0.125 1
1 492 . 8 1 1 A 61 61 VAL CB C 58 31.751 31.850 -0.099 1
1 495 . 8 1 1 A 61 61 VAL N N 58 121.313 122.621 -1.308 1
1 496 . 8 1 1 A 62 62 GLN H H 59 8.564 8.095 0.469 1
1 497 . 8 1 1 A 62 62 GLN HA H 59 4.062 3.985 0.077 1
1 502 . 8 1 1 A 62 62 GLN C C 59 178.871 178.788 0.083 1
1 503 . 8 1 1 A 62 62 GLN CA C 59 58.993 59.299 -0.306 1
1 504 . 8 1 1 A 62 62 GLN CB C 59 28.085 28.563 -0.478 1
1 506 . 8 1 1 A 62 62 GLN N N 59 119.395 119.476 -0.081 1
1 507 . 8 1 1 A 63 63 GLN H H 60 7.644 7.733 -0.089 1
1 508 . 8 1 1 A 63 63 GLN HA H 60 4.082 4.462 -0.380 1
1 513 . 8 1 1 A 63 63 GLN C C 60 179.023 178.522 0.501 1
1 514 . 8 1 1 A 63 63 GLN CA C 60 58.106 58.377 -0.271 1
1 515 . 8 1 1 A 63 63 GLN CB C 60 29.283 27.755 1.528 1
1 517 . 8 1 1 A 63 63 GLN N N 60 116.638 117.433 -0.795 1
1 518 . 8 1 1 A 64 64 CYS H H 61 8.543 8.235 0.308 1
1 519 . 8 1 1 A 64 64 CYS HA H 61 3.951 4.400 -0.449 1
1 522 . 8 1 1 A 64 64 CYS C C 61 176.171 176.254 -0.083 1
1 523 . 8 1 1 A 64 64 CYS CA C 61 64.735 58.977 5.758 1
1 524 . 8 1 1 A 64 64 CYS CB C 61 40.828 41.933 -1.105 1
1 525 . 8 1 1 A 64 64 CYS N N 61 118.614 118.060 0.554 1
1 526 . 8 1 1 A 65 65 ALA H H 62 7.791 7.634 0.157 1
1 527 . 8 1 1 A 65 65 ALA HA H 62 4.021 4.028 -0.007 1
1 531 . 8 1 1 A 65 65 ALA C C 62 180.353 179.384 0.969 1
1 532 . 8 1 1 A 65 65 ALA CA C 62 55.249 55.274 -0.025 1
1 533 . 8 1 1 A 65 65 ALA CB C 62 18.069 18.125 -0.056 1
1 534 . 8 1 1 A 65 65 ALA N N 62 119.479 123.298 -3.819 1
1 535 . 8 1 1 A 66 66 GLU H H 63 7.685 7.701 -0.016 1
1 536 . 8 1 1 A 66 66 GLU HA H 63 4.041 4.052 -0.011 1
1 541 . 8 1 1 A 66 66 GLU C C 63 179.701 179.293 0.408 1
1 542 . 8 1 1 A 66 66 GLU CA C 63 59.440 59.635 -0.195 1
1 543 . 8 1 1 A 66 66 GLU CB C 63 29.735 29.375 0.360 1
1 545 . 8 1 1 A 66 66 GLU N N 63 117.981 118.499 -0.518 1
1 546 . 8 1 1 A 67 67 VAL H H 64 7.795 8.363 -0.568 1
1 547 . 8 1 1 A 67 67 VAL HA H 64 3.826 4.406 -0.580 1
1 555 . 8 1 1 A 67 67 VAL C C 64 178.078 177.984 0.094 1
1 556 . 8 1 1 A 67 67 VAL CA C 64 66.262 65.997 0.265 1
1 557 . 8 1 1 A 67 67 VAL CB C 64 31.703 31.233 0.470 1
1 560 . 8 1 1 A 67 67 VAL N N 64 120.422 117.063 3.359 1
1 561 . 8 1 1 A 68 68 LEU H H 65 8.563 8.151 0.412 1
1 562 . 8 1 1 A 68 68 LEU HA H 65 3.897 3.963 -0.066 1
1 572 . 8 1 1 A 68 68 LEU C C 65 180.593 178.322 2.271 1
1 573 . 8 1 1 A 68 68 LEU CA C 65 58.495 58.731 -0.236 1
1 574 . 8 1 1 A 68 68 LEU CB C 65 41.633 41.379 0.254 1
1 578 . 8 1 1 A 68 68 LEU N N 65 119.314 125.386 -6.072 1
1 579 . 8 1 1 A 69 69 GLU H H 66 8.071 7.864 0.207 1
1 580 . 8 1 1 A 69 69 GLU HA H 66 3.947 4.670 -0.723 1
1 585 . 8 1 1 A 69 69 GLU C C 66 178.591 178.416 0.175 1
1 586 . 8 1 1 A 69 69 GLU CA C 66 59.727 59.099 0.628 1
1 587 . 8 1 1 A 69 69 GLU CB C 66 29.549 29.103 0.446 1
1 589 . 8 1 1 A 69 69 GLU N N 66 120.124 118.666 1.458 1
1 590 . 8 1 1 A 70 70 GLU H H 67 7.471 8.108 -0.637 1
1 591 . 8 1 1 A 70 70 GLU HA H 67 4.111 4.094 0.017 1
1 596 . 8 1 1 A 70 70 GLU C C 67 179.873 178.275 1.598 1
1 597 . 8 1 1 A 70 70 GLU CA C 67 59.439 59.114 0.325 1
1 598 . 8 1 1 A 70 70 GLU CB C 67 30.021 29.355 0.666 1
1 600 . 8 1 1 A 70 70 GLU N N 67 119.545 117.651 1.894 1
1 601 . 8 1 1 A 71 71 VAL H H 68 8.790 7.390 1.400 1
1 602 . 8 1 1 A 71 71 VAL HA H 68 4.137 3.871 0.266 1
1 610 . 8 1 1 A 71 71 VAL C C 68 178.818 177.718 1.100 1
1 611 . 8 1 1 A 71 71 VAL CA C 68 64.321 65.575 -1.254 1
1 612 . 8 1 1 A 71 71 VAL CB C 68 31.230 31.458 -0.228 1
1 615 . 8 1 1 A 71 71 VAL N N 68 111.497 116.608 -5.111 1
1 616 . 8 1 1 A 72 72 THR H H 69 8.231 8.055 0.176 1
1 617 . 8 1 1 A 72 72 THR HA H 69 4.161 4.352 -0.191 1
1 622 . 8 1 1 A 72 72 THR C C 69 177.502 176.727 0.775 1
1 623 . 8 1 1 A 72 72 THR CA C 69 66.179 64.839 1.340 1
1 624 . 8 1 1 A 72 72 THR CB C 69 68.770 68.563 0.207 1
1 626 . 8 1 1 A 72 72 THR N N 69 118.078 113.871 4.207 1
1 627 . 8 1 1 A 73 73 ALA H H 70 7.177 8.351 -1.174 1
1 628 . 8 1 1 A 73 73 ALA HA H 70 4.139 4.145 -0.006 1
1 632 . 8 1 1 A 73 73 ALA C C 70 179.116 178.530 0.586 1
1 633 . 8 1 1 A 73 73 ALA CA C 70 54.690 54.398 0.292 1
1 634 . 8 1 1 A 73 73 ALA CB C 70 18.039 18.261 -0.222 1
1 635 . 8 1 1 A 73 73 ALA N N 70 123.757 123.853 -0.096 1
1 636 . 8 1 1 A 74 74 ILE H H 71 6.874 7.355 -0.481 1
1 637 . 8 1 1 A 74 74 ILE HA H 71 3.988 4.184 -0.196 1
1 647 . 8 1 1 A 74 74 ILE C C 71 176.201 176.101 0.100 1
1 648 . 8 1 1 A 74 74 ILE CA C 71 61.927 61.573 0.354 1
1 649 . 8 1 1 A 74 74 ILE CB C 71 38.431 38.613 -0.182 1
1 653 . 8 1 1 A 74 74 ILE N N 71 113.131 115.415 -2.284 1
1 654 . 8 1 1 A 75 75 GLY H H 72 7.476 7.687 -0.211 1
1 655 . 8 1 1 A 75 75 GLY HA2 H 72 3.663 3.775 -0.112 1
1 656 . 8 1 1 A 75 75 GLY HA3 H 72 4.166 3.872 0.294 1
1 657 . 8 1 1 A 75 75 GLY C C 72 174.832 173.853 0.979 1
1 658 . 8 1 1 A 75 75 GLY CA C 72 45.144 44.795 0.349 1
1 659 . 8 1 1 A 75 75 GLY N N 72 106.405 108.199 -1.794 1
1 660 . 8 1 1 A 76 76 TYR H H 73 7.340 7.890 -0.550 1
1 661 . 8 1 1 A 76 76 TYR HA H 73 5.184 4.637 0.547 1
1 668 . 8 1 1 A 76 76 TYR C C 73 173.889 174.320 -0.431 1
1 669 . 8 1 1 A 76 76 TYR CA C 73 52.922 55.853 -2.931 1
1 670 . 8 1 1 A 76 76 TYR CB C 73 36.723 39.023 -2.300 1
1 675 . 8 1 1 A 76 76 TYR N N 73 122.416 120.554 1.862 1
1 676 . 8 1 1 A 77 77 PRO HA H 74 4.394 4.448 -0.054 1
1 683 . 8 1 1 A 77 77 PRO C C 74 175.722 175.973 -0.251 1
1 684 . 8 1 1 A 77 77 PRO CA C 74 63.242 63.106 0.136 1
1 685 . 8 1 1 A 77 77 PRO CB C 74 32.460 32.331 0.129 1
1 688 . 8 1 1 A 78 78 ALA H H 75 7.778 8.239 -0.461 1
1 689 . 8 1 1 A 78 78 ALA HA H 75 5.239 4.976 0.263 1
1 693 . 8 1 1 A 78 78 ALA C C 75 176.207 175.411 0.796 1
1 694 . 8 1 1 A 78 78 ALA CA C 75 51.422 50.827 0.595 1
1 695 . 8 1 1 A 78 78 ALA CB C 75 25.258 24.288 0.970 1
1 696 . 8 1 1 A 78 78 ALA N N 75 122.638 120.998 1.640 1
1 697 . 8 1 1 A 79 79 LYS H H 76 9.213 8.949 0.264 1
1 698 . 8 1 1 A 79 79 LYS HA H 76 4.632 5.018 -0.386 1
1 707 . 8 1 1 A 79 79 LYS C C 76 173.669 174.826 -1.157 1
1 708 . 8 1 1 A 79 79 LYS CA C 76 55.912 54.969 0.943 1
1 709 . 8 1 1 A 79 79 LYS CB C 76 36.309 35.889 0.420 1
1 713 . 8 1 1 A 79 79 LYS N N 76 115.751 115.479 0.272 1
1 714 . 8 1 1 A 80 80 CYS H H 77 8.602 9.073 -0.471 1
1 715 . 8 1 1 A 80 80 CYS HA H 77 5.535 5.815 -0.280 1
1 718 . 8 1 1 A 80 80 CYS C C 77 174.029 172.732 1.297 1
1 719 . 8 1 1 A 80 80 CYS CA C 77 56.029 54.721 1.308 1
1 720 . 8 1 1 A 80 80 CYS CB C 77 47.796 43.417 4.379 1
1 721 . 8 1 1 A 80 80 CYS N N 77 119.633 118.782 0.851 1
1 722 . 8 1 1 A 81 81 CYS H H 78 9.428 9.119 0.309 1
1 723 . 8 1 1 A 81 81 CYS HA H 78 5.391 5.577 -0.186 1
1 726 . 8 1 1 A 81 81 CYS C C 78 173.980 172.801 1.179 1
1 727 . 8 1 1 A 81 81 CYS CA C 78 54.237 53.728 0.509 1
1 728 . 8 1 1 A 81 81 CYS CB C 78 47.557 45.712 1.845 1
1 729 . 8 1 1 A 81 81 CYS N N 78 120.091 122.827 -2.736 1
1 730 . 8 1 1 A 82 82 CYS H H 79 9.291 8.737 0.554 1
1 731 . 8 1 1 A 82 82 CYS HA H 79 5.134 5.314 -0.180 1
1 734 . 8 1 1 A 82 82 CYS C C 79 172.349 173.981 -1.632 1
1 735 . 8 1 1 A 82 82 CYS CA C 79 56.628 57.169 -0.541 1
1 736 . 8 1 1 A 82 82 CYS CB C 79 46.122 28.453 17.669 1
1 737 . 8 1 1 A 82 82 CYS N N 79 117.137 120.774 -3.637 1
1 738 . 8 1 1 A 83 83 GLU H H 80 7.283 8.566 -1.283 1
1 739 . 8 1 1 A 83 83 GLU HA H 80 4.625 4.673 -0.048 1
1 744 . 8 1 1 A 83 83 GLU C C 80 174.435 174.269 0.166 1
1 745 . 8 1 1 A 83 83 GLU CA C 80 54.873 56.049 -1.176 1
1 746 . 8 1 1 A 83 83 GLU CB C 80 33.106 34.089 -0.983 1
1 748 . 8 1 1 A 83 83 GLU N N 80 120.821 123.438 -2.617 1
1 749 . 8 1 1 A 84 84 ASP H H 81 8.433 8.693 -0.260 1
1 750 . 8 1 1 A 84 84 ASP HA H 81 4.956 4.735 0.221 1
1 753 . 8 1 1 A 84 84 ASP C C 81 178.149 176.790 1.359 1
1 754 . 8 1 1 A 84 84 ASP CA C 81 55.409 55.456 -0.047 1
1 755 . 8 1 1 A 84 84 ASP CB C 81 40.817 40.721 0.096 1
1 756 . 8 1 1 A 84 84 ASP N N 81 121.789 125.053 -3.264 1
1 757 . 8 1 1 A 85 85 LEU H H 82 9.244 9.314 -0.070 1
1 758 . 8 1 1 A 85 85 LEU HA H 82 3.308 3.994 -0.686 1
1 765 . 8 1 1 A 85 85 LEU C C 82 176.858 177.356 -0.498 1
1 766 . 8 1 1 A 85 85 LEU CA C 82 56.047 56.503 -0.456 1
1 767 . 8 1 1 A 85 85 LEU CB C 82 36.885 39.550 -2.665 1
1 770 . 8 1 1 A 85 85 LEU N N 82 114.422 118.687 -4.265 1
1 771 . 8 1 1 A 86 86 CYS H H 83 8.005 8.120 -0.115 1
1 772 . 8 1 1 A 86 86 CYS HA H 83 4.547 4.460 0.087 1
1 775 . 8 1 1 A 86 86 CYS C C 83 174.632 175.048 -0.416 1
1 776 . 8 1 1 A 86 86 CYS CA C 83 57.206 58.718 -1.512 1
1 777 . 8 1 1 A 86 86 CYS CB C 83 47.155 42.066 5.089 1
1 778 . 8 1 1 A 86 86 CYS N N 83 112.558 116.909 -4.351 1
1 779 . 8 1 1 A 87 87 ASN H H 84 8.859 8.594 0.265 1
1 780 . 8 1 1 A 87 87 ASN HA H 84 4.526 4.587 -0.061 1
1 783 . 8 1 1 A 87 87 ASN C C 84 172.146 175.780 -3.634 1
1 784 . 8 1 1 A 87 87 ASN CA C 84 52.617 53.446 -0.829 1
1 785 . 8 1 1 A 87 87 ASN CB C 84 36.673 36.980 -0.307 1
1 786 . 8 1 1 A 87 87 ASN N N 84 119.985 117.177 2.808 1
1 787 . 8 1 1 A 88 88 ARG H H 85 7.353 7.672 -0.319 1
1 788 . 8 1 1 A 88 88 ARG HA H 85 3.734 3.810 -0.076 1
1 795 . 8 1 1 A 88 88 ARG C C 85 173.901 175.764 -1.863 1
1 796 . 8 1 1 A 88 88 ARG CA C 85 55.058 57.557 -2.499 1
1 797 . 8 1 1 A 88 88 ARG CB C 85 31.857 30.207 1.650 1
1 800 . 8 1 1 A 88 88 ARG N N 85 118.446 117.886 0.560 1
1 801 . 8 1 1 A 89 89 SER H H 86 7.987 7.252 0.735 1
1 802 . 8 1 1 A 89 89 SER HA H 86 3.689 4.532 -0.843 1
1 805 . 8 1 1 A 89 89 SER C C 86 174.342 173.709 0.633 1
1 806 . 8 1 1 A 89 89 SER CA C 86 57.844 57.365 0.479 1
1 807 . 8 1 1 A 89 89 SER CB C 86 63.504 66.926 -3.422 1
1 808 . 8 1 1 A 89 89 SER N N 86 115.514 114.340 1.174 1
1 809 . 8 1 1 A 90 90 GLU H H 87 8.461 9.189 -0.728 1
1 810 . 8 1 1 A 90 90 GLU HA H 87 4.125 4.183 -0.058 1
1 815 . 8 1 1 A 90 90 GLU C C 87 175.632 176.608 -0.976 1
1 816 . 8 1 1 A 90 90 GLU CA C 87 56.799 59.620 -2.821 1
1 817 . 8 1 1 A 90 90 GLU CB C 87 30.049 29.883 0.166 1
1 819 . 8 1 1 A 90 90 GLU N N 87 122.917 122.244 0.673 1
1 16 . 9 1 1 A 22 22 ALA H H 19 8.052 8.436 -0.384 1
1 17 . 9 1 1 A 22 22 ALA HA H 19 4.191 4.484 -0.293 1
1 21 . 9 1 1 A 22 22 ALA C C 19 176.151 176.925 -0.774 1
1 22 . 9 1 1 A 22 22 ALA CA C 19 51.960 52.105 -0.145 1
1 23 . 9 1 1 A 22 22 ALA CB C 19 19.784 19.623 0.161 1
1 24 . 9 1 1 A 22 22 ALA N N 19 125.891 129.544 -3.653 1
1 25 . 9 1 1 A 23 23 LEU H H 20 8.117 8.591 -0.474 1
1 26 . 9 1 1 A 23 23 LEU HA H 20 4.273 4.938 -0.665 1
1 36 . 9 1 1 A 23 23 LEU C C 20 174.307 174.179 0.128 1
1 37 . 9 1 1 A 23 23 LEU CA C 20 54.838 53.282 1.556 1
1 38 . 9 1 1 A 23 23 LEU CB C 20 44.574 44.606 -0.032 1
1 42 . 9 1 1 A 23 23 LEU N N 20 125.488 121.612 3.876 1
1 43 . 9 1 1 A 24 24 LYS H H 21 7.915 8.371 -0.456 1
1 44 . 9 1 1 A 24 24 LYS HA H 21 5.287 5.187 0.100 1
1 53 . 9 1 1 A 24 24 LYS C C 21 175.901 175.569 0.332 1
1 54 . 9 1 1 A 24 24 LYS CA C 21 54.174 54.936 -0.762 1
1 55 . 9 1 1 A 24 24 LYS CB C 21 34.841 34.164 0.677 1
1 59 . 9 1 1 A 24 24 LYS N N 21 122.369 121.168 1.201 1
1 60 . 9 1 1 A 25 25 CYS H H 22 8.426 8.365 0.061 1
1 61 . 9 1 1 A 25 25 CYS HA H 22 4.886 5.347 -0.461 1
1 64 . 9 1 1 A 25 25 CYS C C 22 175.309 172.633 2.676 1
1 65 . 9 1 1 A 25 25 CYS CA C 22 51.680 54.815 -3.135 1
1 66 . 9 1 1 A 25 25 CYS CB C 22 41.829 47.222 -5.393 1
1 67 . 9 1 1 A 25 25 CYS N N 22 117.505 122.369 -4.864 1
1 68 . 9 1 1 A 26 26 PHE H H 23 8.960 9.218 -0.258 1
1 69 . 9 1 1 A 26 26 PHE HA H 23 5.057 5.074 -0.017 1
1 74 . 9 1 1 A 26 26 PHE C C 23 176.694 175.709 0.985 1
1 75 . 9 1 1 A 26 26 PHE CA C 23 60.302 58.367 1.935 1
1 76 . 9 1 1 A 26 26 PHE CB C 23 39.490 39.304 0.186 1
1 79 . 9 1 1 A 26 26 PHE N N 23 120.038 121.976 -1.938 1
1 80 . 9 1 1 A 27 27 THR H H 24 9.071 8.989 0.082 1
1 81 . 9 1 1 A 27 27 THR HA H 24 4.960 5.065 -0.105 1
1 86 . 9 1 1 A 27 27 THR C C 24 173.722 174.057 -0.335 1
1 87 . 9 1 1 A 27 27 THR CA C 24 59.835 61.080 -1.245 1
1 88 . 9 1 1 A 27 27 THR CB C 24 71.382 71.230 0.152 1
1 90 . 9 1 1 A 27 27 THR N N 24 114.266 118.734 -4.468 1
1 91 . 9 1 1 A 28 28 ARG H H 25 8.398 8.634 -0.236 1
1 92 . 9 1 1 A 28 28 ARG HA H 25 5.158 5.194 -0.036 1
1 99 . 9 1 1 A 28 28 ARG C C 25 175.547 175.156 0.391 1
1 100 . 9 1 1 A 28 28 ARG CA C 25 54.586 56.023 -1.437 1
1 101 . 9 1 1 A 28 28 ARG CB C 25 32.443 30.919 1.524 1
1 104 . 9 1 1 A 28 28 ARG N N 25 123.189 126.227 -3.038 1
1 105 . 9 1 1 A 29 29 ASN H H 26 8.589 9.130 -0.541 1
1 106 . 9 1 1 A 29 29 ASN HA H 26 4.938 5.101 -0.163 1
1 109 . 9 1 1 A 29 29 ASN C C 26 175.273 175.579 -0.306 1
1 110 . 9 1 1 A 29 29 ASN CA C 26 52.276 52.027 0.249 1
1 111 . 9 1 1 A 29 29 ASN CB C 26 39.660 38.150 1.510 1
1 112 . 9 1 1 A 29 29 ASN N N 26 125.242 123.911 1.331 1
1 113 . 9 1 1 A 30 30 GLY H H 27 9.046 8.864 0.182 1
1 114 . 9 1 1 A 30 30 GLY HA2 H 27 3.649 3.865 -0.216 1
1 115 . 9 1 1 A 30 30 GLY HA3 H 27 3.996 3.869 0.127 1
1 116 . 9 1 1 A 30 30 GLY C C 27 174.707 174.351 0.356 1
1 117 . 9 1 1 A 30 30 GLY CA C 27 46.906 47.324 -0.418 1
1 118 . 9 1 1 A 30 30 GLY N N 27 115.613 115.737 -0.124 1
1 119 . 9 1 1 A 31 31 ASP H H 28 8.956 8.731 0.225 1
1 120 . 9 1 1 A 31 31 ASP HA H 28 4.648 4.671 -0.023 1
1 123 . 9 1 1 A 31 31 ASP C C 28 175.670 175.583 0.087 1
1 124 . 9 1 1 A 31 31 ASP CA C 28 54.939 53.968 0.971 1
1 125 . 9 1 1 A 31 31 ASP CB C 28 41.505 40.940 0.565 1
1 126 . 9 1 1 A 31 31 ASP N N 28 126.791 126.546 0.245 1
1 127 . 9 1 1 A 32 32 ASP H H 29 7.973 7.437 0.536 1
1 128 . 9 1 1 A 32 32 ASP HA H 29 4.778 4.729 0.049 1
1 131 . 9 1 1 A 32 32 ASP C C 29 174.871 175.176 -0.305 1
1 132 . 9 1 1 A 32 32 ASP CA C 29 54.192 54.430 -0.238 1
1 133 . 9 1 1 A 32 32 ASP CB C 29 42.663 41.936 0.727 1
1 134 . 9 1 1 A 32 32 ASP N N 29 120.240 121.189 -0.949 1
1 135 . 9 1 1 A 33 33 ARG H H 30 8.682 9.203 -0.521 1
1 136 . 9 1 1 A 33 33 ARG HA H 30 5.020 5.402 -0.382 1
1 143 . 9 1 1 A 33 33 ARG C C 30 175.569 175.079 0.490 1
1 144 . 9 1 1 A 33 33 ARG CA C 30 55.487 54.634 0.853 1
1 145 . 9 1 1 A 33 33 ARG CB C 30 31.962 32.292 -0.330 1
1 148 . 9 1 1 A 33 33 ARG N N 30 125.183 122.850 2.333 1
1 149 . 9 1 1 A 34 34 THR H H 31 8.976 8.633 0.343 1
1 150 . 9 1 1 A 34 34 THR HA H 31 4.764 5.240 -0.476 1
1 155 . 9 1 1 A 34 34 THR C C 31 172.745 173.326 -0.581 1
1 156 . 9 1 1 A 34 34 THR CA C 31 59.891 59.348 0.543 1
1 157 . 9 1 1 A 34 34 THR CB C 31 71.522 71.643 -0.121 1
1 159 . 9 1 1 A 34 34 THR N N 31 120.162 114.808 5.354 1
1 160 . 9 1 1 A 35 35 VAL H H 32 8.286 8.594 -0.308 1
1 161 . 9 1 1 A 35 35 VAL HA H 32 4.110 3.566 0.544 1
1 169 . 9 1 1 A 35 35 VAL C C 32 175.720 175.273 0.447 1
1 170 . 9 1 1 A 35 35 VAL CA C 32 62.838 63.545 -0.707 1
1 171 . 9 1 1 A 35 35 VAL CB C 32 32.883 30.790 2.093 1
1 174 . 9 1 1 A 35 35 VAL N N 32 122.209 122.171 0.038 1
1 175 . 9 1 1 A 36 36 THR H H 33 8.749 8.615 0.134 1
1 176 . 9 1 1 A 36 36 THR HA H 33 4.486 5.256 -0.770 1
1 181 . 9 1 1 A 36 36 THR C C 33 173.029 172.994 0.035 1
1 182 . 9 1 1 A 36 36 THR CA C 33 61.029 60.325 0.704 1
1 183 . 9 1 1 A 36 36 THR CB C 33 71.425 71.477 -0.052 1
1 185 . 9 1 1 A 36 36 THR N N 33 125.259 118.705 6.554 1
1 186 . 9 1 1 A 37 37 THR H H 34 8.544 8.831 -0.287 1
1 187 . 9 1 1 A 37 37 THR HA H 34 4.371 4.589 -0.218 1
1 192 . 9 1 1 A 37 37 THR C C 34 173.839 174.402 -0.563 1
1 193 . 9 1 1 A 37 37 THR CA C 34 62.892 61.077 1.815 1
1 194 . 9 1 1 A 37 37 THR CB C 34 68.156 68.746 -0.590 1
1 196 . 9 1 1 A 37 37 THR N N 34 122.774 119.483 3.291 1
1 197 . 9 1 1 A 38 38 CYS H H 35 9.227 8.865 0.362 1
1 198 . 9 1 1 A 38 38 CYS HA H 35 4.516 4.715 -0.199 1
1 201 . 9 1 1 A 38 38 CYS C C 35 174.923 173.795 1.128 1
1 202 . 9 1 1 A 38 38 CYS CA C 35 52.962 55.473 -2.511 1
1 203 . 9 1 1 A 38 38 CYS CB C 35 37.439 44.372 -6.933 1
1 204 . 9 1 1 A 38 38 CYS N N 35 129.056 127.759 1.297 1
1 205 . 9 1 1 A 39 39 ALA H H 36 8.113 8.626 -0.513 1
1 206 . 9 1 1 A 39 39 ALA HA H 36 4.313 4.412 -0.099 1
1 210 . 9 1 1 A 39 39 ALA C C 36 178.809 179.105 -0.296 1
1 211 . 9 1 1 A 39 39 ALA CA C 36 52.125 52.050 0.075 1
1 212 . 9 1 1 A 39 39 ALA CB C 36 19.235 19.839 -0.604 1
1 213 . 9 1 1 A 39 39 ALA N N 36 122.621 124.852 -2.231 1
1 214 . 9 1 1 A 40 40 GLU H H 37 8.701 8.956 -0.255 1
1 215 . 9 1 1 A 40 40 GLU HA H 37 3.826 4.101 -0.275 1
1 220 . 9 1 1 A 40 40 GLU C C 37 177.999 177.656 0.343 1
1 221 . 9 1 1 A 40 40 GLU CA C 37 60.104 58.688 1.416 1
1 222 . 9 1 1 A 40 40 GLU CB C 37 29.712 29.136 0.576 1
1 224 . 9 1 1 A 40 40 GLU N N 37 120.905 118.716 2.189 1
1 225 . 9 1 1 A 41 41 GLU H H 38 8.870 8.286 0.584 1
1 226 . 9 1 1 A 41 41 GLU HA H 38 4.233 4.262 -0.029 1
1 231 . 9 1 1 A 41 41 GLU C C 38 176.790 176.897 -0.107 1
1 232 . 9 1 1 A 41 41 GLU CA C 38 57.438 58.310 -0.872 1
1 233 . 9 1 1 A 41 41 GLU CB C 38 28.813 29.105 -0.292 1
1 235 . 9 1 1 A 41 41 GLU N N 38 113.838 117.375 -3.537 1
1 236 . 9 1 1 A 42 42 GLN H H 39 7.935 7.583 0.352 1
1 237 . 9 1 1 A 42 42 GLN HA H 39 4.069 4.336 -0.267 1
1 242 . 9 1 1 A 42 42 GLN C C 39 174.033 176.505 -2.472 1
1 243 . 9 1 1 A 42 42 GLN CA C 39 55.177 56.307 -1.130 1
1 244 . 9 1 1 A 42 42 GLN CB C 39 28.144 29.479 -1.335 1
1 246 . 9 1 1 A 42 42 GLN N N 39 120.919 120.863 0.056 1
1 247 . 9 1 1 A 43 43 THR H H 40 6.846 8.824 -1.978 1
1 248 . 9 1 1 A 43 43 THR HA H 40 4.340 4.740 -0.400 1
1 253 . 9 1 1 A 43 43 THR C C 40 175.221 174.005 1.216 1
1 254 . 9 1 1 A 43 43 THR CA C 40 60.677 60.732 -0.055 1
1 255 . 9 1 1 A 43 43 THR CB C 40 68.516 70.357 -1.841 1
1 257 . 9 1 1 A 43 43 THR N N 40 109.859 114.971 -5.112 1
1 258 . 9 1 1 A 44 44 ARG H H 41 8.496 7.707 0.789 1
1 259 . 9 1 1 A 44 44 ARG HA H 41 5.001 4.799 0.202 1
1 266 . 9 1 1 A 44 44 ARG C C 41 174.082 174.584 -0.502 1
1 267 . 9 1 1 A 44 44 ARG CA C 41 52.838 54.040 -1.202 1
1 268 . 9 1 1 A 44 44 ARG CB C 41 34.466 34.186 0.280 1
1 271 . 9 1 1 A 44 44 ARG N N 41 122.000 119.443 2.557 1
1 272 . 9 1 1 A 45 45 CYS H H 42 8.814 8.675 0.139 1
1 273 . 9 1 1 A 45 45 CYS HA H 42 5.566 5.335 0.231 1
1 276 . 9 1 1 A 45 45 CYS C C 42 173.806 171.877 1.929 1
1 277 . 9 1 1 A 45 45 CYS CA C 42 51.956 55.056 -3.100 1
1 278 . 9 1 1 A 45 45 CYS CB C 42 38.526 45.879 -7.353 1
1 279 . 9 1 1 A 45 45 CYS N N 42 115.378 118.709 -3.331 1
1 280 . 9 1 1 A 46 46 LEU H H 43 9.234 9.399 -0.165 1
1 281 . 9 1 1 A 46 46 LEU HA H 43 5.382 5.043 0.339 1
1 291 . 9 1 1 A 46 46 LEU C C 43 176.639 175.469 1.170 1
1 292 . 9 1 1 A 46 46 LEU CA C 43 53.739 53.917 -0.178 1
1 293 . 9 1 1 A 46 46 LEU CB C 43 46.024 44.375 1.649 1
1 297 . 9 1 1 A 46 46 LEU N N 43 122.940 128.141 -5.201 1
1 298 . 9 1 1 A 47 47 PHE H H 44 9.048 9.265 -0.217 1
1 299 . 9 1 1 A 47 47 PHE HA H 44 5.700 5.573 0.127 1
1 306 . 9 1 1 A 47 47 PHE C C 44 173.708 173.687 0.021 1
1 307 . 9 1 1 A 47 47 PHE CA C 44 56.494 55.166 1.328 1
1 308 . 9 1 1 A 47 47 PHE CB C 44 44.246 41.578 2.668 1
1 313 . 9 1 1 A 47 47 PHE N N 44 128.522 127.690 0.832 1
1 314 . 9 1 1 A 48 48 VAL H H 45 8.086 9.204 -1.118 1
1 315 . 9 1 1 A 48 48 VAL HA H 45 4.234 4.261 -0.027 1
1 323 . 9 1 1 A 48 48 VAL C C 45 173.728 173.973 -0.245 1
1 324 . 9 1 1 A 48 48 VAL CA C 45 61.110 60.934 0.176 1
1 325 . 9 1 1 A 48 48 VAL CB C 45 36.121 32.892 3.229 1
1 328 . 9 1 1 A 48 48 VAL N N 45 124.455 127.759 -3.304 1
1 329 . 9 1 1 A 49 49 GLN H H 46 8.391 9.321 -0.930 1
1 330 . 9 1 1 A 49 49 GLN HA H 46 4.155 4.543 -0.388 1
1 335 . 9 1 1 A 49 49 GLN C C 46 174.214 174.727 -0.513 1
1 336 . 9 1 1 A 49 49 GLN CA C 46 54.491 54.435 0.056 1
1 337 . 9 1 1 A 49 49 GLN CB C 46 29.986 30.462 -0.476 1
1 339 . 9 1 1 A 49 49 GLN N N 46 126.537 127.067 -0.530 1
1 340 . 9 1 1 A 50 50 LEU H H 47 7.646 8.507 -0.861 1
1 341 . 9 1 1 A 50 50 LEU HA H 47 3.856 4.817 -0.961 1
1 351 . 9 1 1 A 50 50 LEU C C 47 175.649 176.545 -0.896 1
1 352 . 9 1 1 A 50 50 LEU CA C 47 53.706 51.864 1.842 1
1 353 . 9 1 1 A 50 50 LEU CB C 47 39.821 43.979 -4.158 1
1 357 . 9 1 1 A 50 50 LEU N N 47 127.637 127.561 0.076 1
1 358 . 9 1 1 A 51 51 PRO HA H 48 3.921 4.341 -0.420 1
1 365 . 9 1 1 A 51 51 PRO C C 48 177.492 175.442 2.050 1
1 366 . 9 1 1 A 51 51 PRO CA C 48 65.923 63.703 2.220 1
1 367 . 9 1 1 A 51 51 PRO CB C 48 31.509 31.713 -0.204 1
1 370 . 9 1 1 A 52 52 TYR H H 49 7.517 7.892 -0.375 1
1 371 . 9 1 1 A 52 52 TYR HA H 49 4.790 4.720 0.070 1
1 378 . 9 1 1 A 52 52 TYR C C 49 175.214 175.854 -0.640 1
1 379 . 9 1 1 A 52 52 TYR CA C 49 55.767 59.208 -3.441 1
1 380 . 9 1 1 A 52 52 TYR CB C 49 39.277 40.586 -1.309 1
1 385 . 9 1 1 A 52 52 TYR N N 49 109.643 117.660 -8.017 1
1 386 . 9 1 1 A 53 53 SER H H 50 6.986 8.240 -1.254 1
1 387 . 9 1 1 A 53 53 SER HA H 50 4.409 4.751 -0.342 1
1 390 . 9 1 1 A 53 53 SER C C 50 171.925 172.470 -0.545 1
1 391 . 9 1 1 A 53 53 SER CA C 50 57.189 57.282 -0.093 1
1 392 . 9 1 1 A 53 53 SER CB C 50 63.786 65.966 -2.180 1
1 393 . 9 1 1 A 53 53 SER N N 50 112.994 110.649 2.345 1
1 394 . 9 1 1 A 54 54 GLU H H 51 7.890 8.453 -0.563 1
1 395 . 9 1 1 A 54 54 GLU HA H 51 4.903 5.126 -0.223 1
1 400 . 9 1 1 A 54 54 GLU C C 51 175.536 175.322 0.214 1
1 401 . 9 1 1 A 54 54 GLU CA C 51 54.722 54.415 0.307 1
1 402 . 9 1 1 A 54 54 GLU CB C 51 33.225 33.948 -0.723 1
1 404 . 9 1 1 A 54 54 GLU N N 51 115.330 119.502 -4.172 1
1 405 . 9 1 1 A 55 55 ILE H H 52 8.600 8.534 0.066 1
1 406 . 9 1 1 A 55 55 ILE HA H 52 4.302 4.721 -0.419 1
1 416 . 9 1 1 A 55 55 ILE C C 52 175.783 175.220 0.563 1
1 417 . 9 1 1 A 55 55 ILE CA C 52 60.360 59.749 0.611 1
1 418 . 9 1 1 A 55 55 ILE CB C 52 39.228 39.015 0.213 1
1 422 . 9 1 1 A 55 55 ILE N N 52 122.129 122.918 -0.789 1
1 423 . 9 1 1 A 56 56 GLN H H 53 8.573 8.690 -0.117 1
1 424 . 9 1 1 A 56 56 GLN HA H 53 5.394 5.748 -0.354 1
1 429 . 9 1 1 A 56 56 GLN C C 53 174.379 174.473 -0.094 1
1 430 . 9 1 1 A 56 56 GLN CA C 53 54.790 54.521 0.269 1
1 431 . 9 1 1 A 56 56 GLN CB C 53 33.315 32.307 1.008 1
1 433 . 9 1 1 A 56 56 GLN N N 53 126.768 125.678 1.090 1
1 434 . 9 1 1 A 57 57 GLU H H 54 7.782 8.653 -0.871 1
1 435 . 9 1 1 A 57 57 GLU HA H 54 4.967 4.992 -0.025 1
1 440 . 9 1 1 A 57 57 GLU C C 54 176.345 174.440 1.905 1
1 441 . 9 1 1 A 57 57 GLU CA C 54 55.405 55.258 0.147 1
1 442 . 9 1 1 A 57 57 GLU CB C 54 36.080 33.198 2.882 1
1 444 . 9 1 1 A 57 57 GLU N N 54 117.990 120.505 -2.515 1
1 445 . 9 1 1 A 58 58 CYS H H 55 8.780 7.967 0.813 1
1 446 . 9 1 1 A 58 58 CYS HA H 55 5.145 5.147 -0.002 1
1 449 . 9 1 1 A 58 58 CYS C C 55 175.293 173.602 1.691 1
1 450 . 9 1 1 A 58 58 CYS CA C 55 57.749 55.180 2.569 1
1 451 . 9 1 1 A 58 58 CYS CB C 55 45.523 42.840 2.683 1
1 452 . 9 1 1 A 58 58 CYS N N 55 119.662 120.059 -0.397 1
1 453 . 9 1 1 A 59 59 LYS H H 56 9.277 8.648 0.629 1
1 454 . 9 1 1 A 59 59 LYS HA H 56 4.896 4.849 0.047 1
1 463 . 9 1 1 A 59 59 LYS C C 56 176.049 175.858 0.191 1
1 464 . 9 1 1 A 59 59 LYS CA C 56 53.903 54.279 -0.376 1
1 465 . 9 1 1 A 59 59 LYS CB C 56 40.637 36.645 3.992 1
1 469 . 9 1 1 A 59 59 LYS N N 56 120.535 124.054 -3.519 1
1 470 . 9 1 1 A 60 60 THR H H 57 7.997 8.647 -0.650 1
1 471 . 9 1 1 A 60 60 THR HA H 57 4.876 4.700 0.176 1
1 476 . 9 1 1 A 60 60 THR C C 57 175.637 176.200 -0.563 1
1 477 . 9 1 1 A 60 60 THR CA C 57 61.017 60.690 0.327 1
1 478 . 9 1 1 A 60 60 THR CB C 57 70.774 71.362 -0.588 1
1 480 . 9 1 1 A 60 60 THR N N 57 108.910 112.532 -3.622 1
1 481 . 9 1 1 A 61 61 VAL H H 58 8.689 8.782 -0.093 1
1 482 . 9 1 1 A 61 61 VAL HA H 58 3.477 3.639 -0.162 1
1 490 . 9 1 1 A 61 61 VAL C C 58 178.541 177.463 1.078 1
1 491 . 9 1 1 A 61 61 VAL CA C 58 67.024 67.066 -0.042 1
1 492 . 9 1 1 A 61 61 VAL CB C 58 31.751 32.003 -0.252 1
1 495 . 9 1 1 A 61 61 VAL N N 58 121.313 122.253 -0.940 1
1 496 . 9 1 1 A 62 62 GLN H H 59 8.564 8.256 0.308 1
1 497 . 9 1 1 A 62 62 GLN HA H 59 4.062 4.001 0.061 1
1 502 . 9 1 1 A 62 62 GLN C C 59 178.871 178.245 0.626 1
1 503 . 9 1 1 A 62 62 GLN CA C 59 58.993 59.311 -0.318 1
1 504 . 9 1 1 A 62 62 GLN CB C 59 28.085 28.535 -0.450 1
1 506 . 9 1 1 A 62 62 GLN N N 59 119.395 119.486 -0.091 1
1 507 . 9 1 1 A 63 63 GLN H H 60 7.644 8.201 -0.557 1
1 508 . 9 1 1 A 63 63 GLN HA H 60 4.082 4.582 -0.500 1
1 513 . 9 1 1 A 63 63 GLN C C 60 179.023 178.916 0.107 1
1 514 . 9 1 1 A 63 63 GLN CA C 60 58.106 59.072 -0.966 1
1 515 . 9 1 1 A 63 63 GLN CB C 60 29.283 27.927 1.356 1
1 517 . 9 1 1 A 63 63 GLN N N 60 116.638 117.488 -0.850 1
1 518 . 9 1 1 A 64 64 CYS H H 61 8.543 8.009 0.534 1
1 519 . 9 1 1 A 64 64 CYS HA H 61 3.951 4.434 -0.483 1
1 522 . 9 1 1 A 64 64 CYS C C 61 176.171 176.322 -0.151 1
1 523 . 9 1 1 A 64 64 CYS CA C 61 64.735 58.913 5.822 1
1 524 . 9 1 1 A 64 64 CYS CB C 61 40.828 42.075 -1.247 1
1 525 . 9 1 1 A 64 64 CYS N N 61 118.614 118.009 0.605 1
1 526 . 9 1 1 A 65 65 ALA H H 62 7.791 7.675 0.116 1
1 527 . 9 1 1 A 65 65 ALA HA H 62 4.021 4.048 -0.027 1
1 531 . 9 1 1 A 65 65 ALA C C 62 180.353 179.507 0.846 1
1 532 . 9 1 1 A 65 65 ALA CA C 62 55.249 55.153 0.096 1
1 533 . 9 1 1 A 65 65 ALA CB C 62 18.069 18.423 -0.354 1
1 534 . 9 1 1 A 65 65 ALA N N 62 119.479 123.353 -3.874 1
1 535 . 9 1 1 A 66 66 GLU H H 63 7.685 7.836 -0.151 1
1 536 . 9 1 1 A 66 66 GLU HA H 63 4.041 4.033 0.008 1
1 541 . 9 1 1 A 66 66 GLU C C 63 179.701 179.388 0.313 1
1 542 . 9 1 1 A 66 66 GLU CA C 63 59.440 59.610 -0.170 1
1 543 . 9 1 1 A 66 66 GLU CB C 63 29.735 29.552 0.183 1
1 545 . 9 1 1 A 66 66 GLU N N 63 117.981 118.765 -0.784 1
1 546 . 9 1 1 A 67 67 VAL H H 64 7.795 8.339 -0.544 1
1 547 . 9 1 1 A 67 67 VAL HA H 64 3.826 4.472 -0.646 1
1 555 . 9 1 1 A 67 67 VAL C C 64 178.078 177.994 0.084 1
1 556 . 9 1 1 A 67 67 VAL CA C 64 66.262 66.001 0.261 1
1 557 . 9 1 1 A 67 67 VAL CB C 64 31.703 31.239 0.464 1
1 560 . 9 1 1 A 67 67 VAL N N 64 120.422 117.103 3.319 1
1 561 . 9 1 1 A 68 68 LEU H H 65 8.563 8.133 0.430 1
1 562 . 9 1 1 A 68 68 LEU HA H 65 3.897 3.958 -0.061 1
1 572 . 9 1 1 A 68 68 LEU C C 65 180.593 178.312 2.281 1
1 573 . 9 1 1 A 68 68 LEU CA C 65 58.495 58.690 -0.195 1
1 574 . 9 1 1 A 68 68 LEU CB C 65 41.633 41.439 0.194 1
1 578 . 9 1 1 A 68 68 LEU N N 65 119.314 125.328 -6.014 1
1 579 . 9 1 1 A 69 69 GLU H H 66 8.071 7.876 0.195 1
1 580 . 9 1 1 A 69 69 GLU HA H 66 3.947 4.676 -0.729 1
1 585 . 9 1 1 A 69 69 GLU C C 66 178.591 178.421 0.170 1
1 586 . 9 1 1 A 69 69 GLU CA C 66 59.727 59.120 0.607 1
1 587 . 9 1 1 A 69 69 GLU CB C 66 29.549 29.033 0.516 1
1 589 . 9 1 1 A 69 69 GLU N N 66 120.124 118.652 1.472 1
1 590 . 9 1 1 A 70 70 GLU H H 67 7.471 8.071 -0.600 1
1 591 . 9 1 1 A 70 70 GLU HA H 67 4.111 4.090 0.021 1
1 596 . 9 1 1 A 70 70 GLU C C 67 179.873 178.255 1.618 1
1 597 . 9 1 1 A 70 70 GLU CA C 67 59.439 59.233 0.206 1
1 598 . 9 1 1 A 70 70 GLU CB C 67 30.021 29.197 0.824 1
1 600 . 9 1 1 A 70 70 GLU N N 67 119.545 117.661 1.884 1
1 601 . 9 1 1 A 71 71 VAL H H 68 8.790 7.419 1.371 1
1 602 . 9 1 1 A 71 71 VAL HA H 68 4.137 3.908 0.229 1
1 610 . 9 1 1 A 71 71 VAL C C 68 178.818 177.625 1.193 1
1 611 . 9 1 1 A 71 71 VAL CA C 68 64.321 65.736 -1.415 1
1 612 . 9 1 1 A 71 71 VAL CB C 68 31.230 31.416 -0.186 1
1 615 . 9 1 1 A 71 71 VAL N N 68 111.497 116.554 -5.057 1
1 616 . 9 1 1 A 72 72 THR H H 69 8.231 8.099 0.132 1
1 617 . 9 1 1 A 72 72 THR HA H 69 4.161 4.329 -0.168 1
1 622 . 9 1 1 A 72 72 THR C C 69 177.502 176.956 0.546 1
1 623 . 9 1 1 A 72 72 THR CA C 69 66.179 64.874 1.305 1
1 624 . 9 1 1 A 72 72 THR CB C 69 68.770 68.446 0.324 1
1 626 . 9 1 1 A 72 72 THR N N 69 118.078 114.068 4.010 1
1 627 . 9 1 1 A 73 73 ALA H H 70 7.177 8.328 -1.151 1
1 628 . 9 1 1 A 73 73 ALA HA H 70 4.139 4.169 -0.030 1
1 632 . 9 1 1 A 73 73 ALA C C 70 179.116 178.425 0.691 1
1 633 . 9 1 1 A 73 73 ALA CA C 70 54.690 54.350 0.340 1
1 634 . 9 1 1 A 73 73 ALA CB C 70 18.039 18.401 -0.362 1
1 635 . 9 1 1 A 73 73 ALA N N 70 123.757 123.752 0.005 1
1 636 . 9 1 1 A 74 74 ILE H H 71 6.874 7.541 -0.667 1
1 637 . 9 1 1 A 74 74 ILE HA H 71 3.988 4.160 -0.172 1
1 647 . 9 1 1 A 74 74 ILE C C 71 176.201 176.139 0.062 1
1 648 . 9 1 1 A 74 74 ILE CA C 71 61.927 61.619 0.308 1
1 649 . 9 1 1 A 74 74 ILE CB C 71 38.431 38.560 -0.129 1
1 653 . 9 1 1 A 74 74 ILE N N 71 113.131 115.336 -2.205 1
1 654 . 9 1 1 A 75 75 GLY H H 72 7.476 7.773 -0.297 1
1 655 . 9 1 1 A 75 75 GLY HA2 H 72 3.663 3.792 -0.129 1
1 656 . 9 1 1 A 75 75 GLY HA3 H 72 4.166 3.887 0.279 1
1 657 . 9 1 1 A 75 75 GLY C C 72 174.832 173.978 0.854 1
1 658 . 9 1 1 A 75 75 GLY CA C 72 45.144 44.911 0.233 1
1 659 . 9 1 1 A 75 75 GLY N N 72 106.405 108.349 -1.944 1
1 660 . 9 1 1 A 76 76 TYR H H 73 7.340 7.777 -0.437 1
1 661 . 9 1 1 A 76 76 TYR HA H 73 5.184 4.633 0.551 1
1 668 . 9 1 1 A 76 76 TYR C C 73 173.889 174.325 -0.436 1
1 669 . 9 1 1 A 76 76 TYR CA C 73 52.922 56.454 -3.532 1
1 670 . 9 1 1 A 76 76 TYR CB C 73 36.723 39.183 -2.460 1
1 675 . 9 1 1 A 76 76 TYR N N 73 122.416 119.933 2.483 1
1 676 . 9 1 1 A 77 77 PRO HA H 74 4.394 4.471 -0.077 1
1 683 . 9 1 1 A 77 77 PRO C C 74 175.722 176.156 -0.434 1
1 684 . 9 1 1 A 77 77 PRO CA C 74 63.242 63.221 0.021 1
1 685 . 9 1 1 A 77 77 PRO CB C 74 32.460 32.150 0.310 1
1 688 . 9 1 1 A 78 78 ALA H H 75 7.778 8.386 -0.608 1
1 689 . 9 1 1 A 78 78 ALA HA H 75 5.239 4.994 0.245 1
1 693 . 9 1 1 A 78 78 ALA C C 75 176.207 175.631 0.576 1
1 694 . 9 1 1 A 78 78 ALA CA C 75 51.422 50.831 0.591 1
1 695 . 9 1 1 A 78 78 ALA CB C 75 25.258 24.407 0.851 1
1 696 . 9 1 1 A 78 78 ALA N N 75 122.638 123.148 -0.510 1
1 697 . 9 1 1 A 79 79 LYS H H 76 9.213 8.967 0.246 1
1 698 . 9 1 1 A 79 79 LYS HA H 76 4.632 5.055 -0.423 1
1 707 . 9 1 1 A 79 79 LYS C C 76 173.669 175.130 -1.461 1
1 708 . 9 1 1 A 79 79 LYS CA C 76 55.912 55.316 0.596 1
1 709 . 9 1 1 A 79 79 LYS CB C 76 36.309 36.891 -0.582 1
1 713 . 9 1 1 A 79 79 LYS N N 76 115.751 117.639 -1.888 1
1 714 . 9 1 1 A 80 80 CYS H H 77 8.602 8.843 -0.241 1
1 715 . 9 1 1 A 80 80 CYS HA H 77 5.535 6.044 -0.509 1
1 718 . 9 1 1 A 80 80 CYS C C 77 174.029 172.623 1.406 1
1 719 . 9 1 1 A 80 80 CYS CA C 77 56.029 55.263 0.766 1
1 720 . 9 1 1 A 80 80 CYS CB C 77 47.796 44.915 2.881 1
1 721 . 9 1 1 A 80 80 CYS N N 77 119.633 117.794 1.839 1
1 722 . 9 1 1 A 81 81 CYS H H 78 9.428 9.149 0.279 1
1 723 . 9 1 1 A 81 81 CYS HA H 78 5.391 5.583 -0.192 1
1 726 . 9 1 1 A 81 81 CYS C C 78 173.980 172.290 1.690 1
1 727 . 9 1 1 A 81 81 CYS CA C 78 54.237 53.835 0.402 1
1 728 . 9 1 1 A 81 81 CYS CB C 78 47.557 45.349 2.208 1
1 729 . 9 1 1 A 81 81 CYS N N 78 120.091 122.022 -1.931 1
1 730 . 9 1 1 A 82 82 CYS H H 79 9.291 8.938 0.353 1
1 731 . 9 1 1 A 82 82 CYS HA H 79 5.134 5.118 0.016 1
1 734 . 9 1 1 A 82 82 CYS C C 79 172.349 173.213 -0.864 1
1 735 . 9 1 1 A 82 82 CYS CA C 79 56.628 57.350 -0.722 1
1 736 . 9 1 1 A 82 82 CYS CB C 79 46.122 28.927 17.195 1
1 737 . 9 1 1 A 82 82 CYS N N 79 117.137 120.338 -3.201 1
1 738 . 9 1 1 A 83 83 GLU H H 80 7.283 8.632 -1.349 1
1 739 . 9 1 1 A 83 83 GLU HA H 80 4.625 4.667 -0.042 1
1 744 . 9 1 1 A 83 83 GLU C C 80 174.435 174.494 -0.059 1
1 745 . 9 1 1 A 83 83 GLU CA C 80 54.873 56.073 -1.200 1
1 746 . 9 1 1 A 83 83 GLU CB C 80 33.106 33.559 -0.453 1
1 748 . 9 1 1 A 83 83 GLU N N 80 120.821 126.127 -5.306 1
1 749 . 9 1 1 A 84 84 ASP H H 81 8.433 8.735 -0.302 1
1 750 . 9 1 1 A 84 84 ASP HA H 81 4.956 4.603 0.353 1
1 753 . 9 1 1 A 84 84 ASP C C 81 178.149 176.727 1.422 1
1 754 . 9 1 1 A 84 84 ASP CA C 81 55.409 55.762 -0.353 1
1 755 . 9 1 1 A 84 84 ASP CB C 81 40.817 40.559 0.258 1
1 756 . 9 1 1 A 84 84 ASP N N 81 121.789 124.867 -3.078 1
1 757 . 9 1 1 A 85 85 LEU H H 82 9.244 9.389 -0.145 1
1 758 . 9 1 1 A 85 85 LEU HA H 82 3.308 4.017 -0.709 1
1 765 . 9 1 1 A 85 85 LEU C C 82 176.858 177.416 -0.558 1
1 766 . 9 1 1 A 85 85 LEU CA C 82 56.047 56.532 -0.485 1
1 767 . 9 1 1 A 85 85 LEU CB C 82 36.885 39.822 -2.937 1
1 770 . 9 1 1 A 85 85 LEU N N 82 114.422 118.866 -4.444 1
1 771 . 9 1 1 A 86 86 CYS H H 83 8.005 8.084 -0.079 1
1 772 . 9 1 1 A 86 86 CYS HA H 83 4.547 4.361 0.186 1
1 775 . 9 1 1 A 86 86 CYS C C 83 174.632 175.437 -0.805 1
1 776 . 9 1 1 A 86 86 CYS CA C 83 57.206 58.921 -1.715 1
1 777 . 9 1 1 A 86 86 CYS CB C 83 47.155 42.152 5.003 1
1 778 . 9 1 1 A 86 86 CYS N N 83 112.558 116.926 -4.368 1
1 779 . 9 1 1 A 87 87 ASN H H 84 8.859 8.598 0.261 1
1 780 . 9 1 1 A 87 87 ASN HA H 84 4.526 4.473 0.053 1
1 783 . 9 1 1 A 87 87 ASN C C 84 172.146 175.901 -3.755 1
1 784 . 9 1 1 A 87 87 ASN CA C 84 52.617 53.429 -0.812 1
1 785 . 9 1 1 A 87 87 ASN CB C 84 36.673 37.090 -0.417 1
1 786 . 9 1 1 A 87 87 ASN N N 84 119.985 117.288 2.697 1
1 787 . 9 1 1 A 88 88 ARG H H 85 7.353 8.326 -0.973 1
1 788 . 9 1 1 A 88 88 ARG HA H 85 3.734 3.789 -0.055 1
1 795 . 9 1 1 A 88 88 ARG C C 85 173.901 175.564 -1.663 1
1 796 . 9 1 1 A 88 88 ARG CA C 85 55.058 58.102 -3.044 1
1 797 . 9 1 1 A 88 88 ARG CB C 85 31.857 29.677 2.180 1
1 800 . 9 1 1 A 88 88 ARG N N 85 118.446 119.636 -1.190 1
1 801 . 9 1 1 A 89 89 SER H H 86 7.987 7.186 0.801 1
1 802 . 9 1 1 A 89 89 SER HA H 86 3.689 4.037 -0.348 1
1 805 . 9 1 1 A 89 89 SER C C 86 174.342 173.153 1.189 1
1 806 . 9 1 1 A 89 89 SER CA C 86 57.844 56.679 1.165 1
1 807 . 9 1 1 A 89 89 SER CB C 86 63.504 66.206 -2.702 1
1 808 . 9 1 1 A 89 89 SER N N 86 115.514 113.846 1.668 1
1 809 . 9 1 1 A 90 90 GLU H H 87 8.461 8.756 -0.295 1
1 810 . 9 1 1 A 90 90 GLU HA H 87 4.125 3.894 0.231 1
1 815 . 9 1 1 A 90 90 GLU C C 87 175.632 176.685 -1.053 1
1 816 . 9 1 1 A 90 90 GLU CA C 87 56.799 59.310 -2.511 1
1 817 . 9 1 1 A 90 90 GLU CB C 87 30.049 29.773 0.276 1
1 819 . 9 1 1 A 90 90 GLU N N 87 122.917 121.789 1.128 1
1 16 . 10 1 1 A 22 22 ALA H H 19 8.052 8.398 -0.346 1
1 17 . 10 1 1 A 22 22 ALA HA H 19 4.191 5.085 -0.894 1
1 21 . 10 1 1 A 22 22 ALA C C 19 176.151 175.174 0.977 1
1 22 . 10 1 1 A 22 22 ALA CA C 19 51.960 51.635 0.325 1
1 23 . 10 1 1 A 22 22 ALA CB C 19 19.784 23.003 -3.219 1
1 24 . 10 1 1 A 22 22 ALA N N 19 125.891 121.249 4.642 1
1 25 . 10 1 1 A 23 23 LEU H H 20 8.117 9.031 -0.914 1
1 26 . 10 1 1 A 23 23 LEU HA H 20 4.273 5.108 -0.835 1
1 36 . 10 1 1 A 23 23 LEU C C 20 174.307 174.313 -0.006 1
1 37 . 10 1 1 A 23 23 LEU CA C 20 54.838 53.546 1.292 1
1 38 . 10 1 1 A 23 23 LEU CB C 20 44.574 46.501 -1.927 1
1 42 . 10 1 1 A 23 23 LEU N N 20 125.488 121.128 4.360 1
1 43 . 10 1 1 A 24 24 LYS H H 21 7.915 9.200 -1.285 1
1 44 . 10 1 1 A 24 24 LYS HA H 21 5.287 5.150 0.137 1
1 53 . 10 1 1 A 24 24 LYS C C 21 175.901 175.414 0.487 1
1 54 . 10 1 1 A 24 24 LYS CA C 21 54.174 55.096 -0.922 1
1 55 . 10 1 1 A 24 24 LYS CB C 21 34.841 32.709 2.132 1
1 59 . 10 1 1 A 24 24 LYS N N 21 122.369 124.958 -2.589 1
1 60 . 10 1 1 A 25 25 CYS H H 22 8.426 8.356 0.070 1
1 61 . 10 1 1 A 25 25 CYS HA H 22 4.886 5.099 -0.213 1
1 64 . 10 1 1 A 25 25 CYS C C 22 175.309 173.822 1.487 1
1 65 . 10 1 1 A 25 25 CYS CA C 22 51.680 55.135 -3.455 1
1 66 . 10 1 1 A 25 25 CYS CB C 22 41.829 44.301 -2.472 1
1 67 . 10 1 1 A 25 25 CYS N N 22 117.505 122.855 -5.350 1
1 68 . 10 1 1 A 26 26 PHE H H 23 8.960 8.994 -0.034 1
1 69 . 10 1 1 A 26 26 PHE HA H 23 5.057 5.117 -0.060 1
1 74 . 10 1 1 A 26 26 PHE C C 23 176.694 175.479 1.215 1
1 75 . 10 1 1 A 26 26 PHE CA C 23 60.302 58.296 2.006 1
1 76 . 10 1 1 A 26 26 PHE CB C 23 39.490 39.955 -0.465 1
1 79 . 10 1 1 A 26 26 PHE N N 23 120.038 121.989 -1.951 1
1 80 . 10 1 1 A 27 27 THR H H 24 9.071 9.176 -0.105 1
1 81 . 10 1 1 A 27 27 THR HA H 24 4.960 5.459 -0.499 1
1 86 . 10 1 1 A 27 27 THR C C 24 173.722 172.540 1.182 1
1 87 . 10 1 1 A 27 27 THR CA C 24 59.835 60.069 -0.234 1
1 88 . 10 1 1 A 27 27 THR CB C 24 71.382 71.579 -0.197 1
1 90 . 10 1 1 A 27 27 THR N N 24 114.266 112.272 1.994 1
1 91 . 10 1 1 A 28 28 ARG H H 25 8.398 9.129 -0.731 1
1 92 . 10 1 1 A 28 28 ARG HA H 25 5.158 4.734 0.424 1
1 99 . 10 1 1 A 28 28 ARG C C 25 175.547 175.036 0.511 1
1 100 . 10 1 1 A 28 28 ARG CA C 25 54.586 55.964 -1.378 1
1 101 . 10 1 1 A 28 28 ARG CB C 25 32.443 30.959 1.484 1
1 104 . 10 1 1 A 28 28 ARG N N 25 123.189 125.189 -2.000 1
1 105 . 10 1 1 A 29 29 ASN H H 26 8.589 9.034 -0.445 1
1 106 . 10 1 1 A 29 29 ASN HA H 26 4.938 5.016 -0.078 1
1 109 . 10 1 1 A 29 29 ASN C C 26 175.273 174.821 0.452 1
1 110 . 10 1 1 A 29 29 ASN CA C 26 52.276 52.176 0.100 1
1 111 . 10 1 1 A 29 29 ASN CB C 26 39.660 40.616 -0.956 1
1 112 . 10 1 1 A 29 29 ASN N N 26 125.242 124.459 0.783 1
1 113 . 10 1 1 A 30 30 GLY H H 27 9.046 9.445 -0.399 1
1 114 . 10 1 1 A 30 30 GLY HA2 H 27 3.649 3.872 -0.223 1
1 115 . 10 1 1 A 30 30 GLY HA3 H 27 3.996 3.873 0.123 1
1 116 . 10 1 1 A 30 30 GLY C C 27 174.707 174.407 0.300 1
1 117 . 10 1 1 A 30 30 GLY CA C 27 46.906 46.382 0.524 1
1 118 . 10 1 1 A 30 30 GLY N N 27 115.613 113.981 1.632 1
1 119 . 10 1 1 A 31 31 ASP H H 28 8.956 8.582 0.374 1
1 120 . 10 1 1 A 31 31 ASP HA H 28 4.648 4.312 0.336 1
1 123 . 10 1 1 A 31 31 ASP C C 28 175.670 174.900 0.770 1
1 124 . 10 1 1 A 31 31 ASP CA C 28 54.939 55.664 -0.725 1
1 125 . 10 1 1 A 31 31 ASP CB C 28 41.505 40.810 0.695 1
1 126 . 10 1 1 A 31 31 ASP N N 28 126.791 117.778 9.013 1
1 127 . 10 1 1 A 32 32 ASP H H 29 7.973 7.840 0.133 1
1 128 . 10 1 1 A 32 32 ASP HA H 29 4.778 4.804 -0.026 1
1 131 . 10 1 1 A 32 32 ASP C C 29 174.871 175.720 -0.849 1
1 132 . 10 1 1 A 32 32 ASP CA C 29 54.192 54.261 -0.069 1
1 133 . 10 1 1 A 32 32 ASP CB C 29 42.663 42.168 0.495 1
1 134 . 10 1 1 A 32 32 ASP N N 29 120.240 120.951 -0.711 1
1 135 . 10 1 1 A 33 33 ARG H H 30 8.682 8.980 -0.298 1
1 136 . 10 1 1 A 33 33 ARG HA H 30 5.020 5.401 -0.381 1
1 143 . 10 1 1 A 33 33 ARG C C 30 175.569 174.900 0.669 1
1 144 . 10 1 1 A 33 33 ARG CA C 30 55.487 54.900 0.587 1
1 145 . 10 1 1 A 33 33 ARG CB C 30 31.962 31.786 0.176 1
1 148 . 10 1 1 A 33 33 ARG N N 30 125.183 123.250 1.933 1
1 149 . 10 1 1 A 34 34 THR H H 31 8.976 9.267 -0.291 1
1 150 . 10 1 1 A 34 34 THR HA H 31 4.764 4.793 -0.029 1
1 155 . 10 1 1 A 34 34 THR C C 31 172.745 174.295 -1.550 1
1 156 . 10 1 1 A 34 34 THR CA C 31 59.891 62.427 -2.536 1
1 157 . 10 1 1 A 34 34 THR CB C 31 71.522 69.642 1.880 1
1 159 . 10 1 1 A 34 34 THR N N 31 120.162 120.919 -0.757 1
1 160 . 10 1 1 A 35 35 VAL H H 32 8.286 8.568 -0.282 1
1 161 . 10 1 1 A 35 35 VAL HA H 32 4.110 4.085 0.025 1
1 169 . 10 1 1 A 35 35 VAL C C 32 175.720 175.585 0.135 1
1 170 . 10 1 1 A 35 35 VAL CA C 32 62.838 63.080 -0.242 1
1 171 . 10 1 1 A 35 35 VAL CB C 32 32.883 31.123 1.760 1
1 174 . 10 1 1 A 35 35 VAL N N 32 122.209 127.843 -5.634 1
1 175 . 10 1 1 A 36 36 THR H H 33 8.749 8.498 0.251 1
1 176 . 10 1 1 A 36 36 THR HA H 33 4.486 5.283 -0.797 1
1 181 . 10 1 1 A 36 36 THR C C 33 173.029 172.930 0.099 1
1 182 . 10 1 1 A 36 36 THR CA C 33 61.029 59.165 1.864 1
1 183 . 10 1 1 A 36 36 THR CB C 33 71.425 71.305 0.120 1
1 185 . 10 1 1 A 36 36 THR N N 33 125.259 118.295 6.964 1
1 186 . 10 1 1 A 37 37 THR H H 34 8.544 8.695 -0.151 1
1 187 . 10 1 1 A 37 37 THR HA H 34 4.371 4.672 -0.301 1
1 192 . 10 1 1 A 37 37 THR C C 34 173.839 173.696 0.143 1
1 193 . 10 1 1 A 37 37 THR CA C 34 62.892 61.684 1.208 1
1 194 . 10 1 1 A 37 37 THR CB C 34 68.156 69.517 -1.361 1
1 196 . 10 1 1 A 37 37 THR N N 34 122.774 118.435 4.339 1
1 197 . 10 1 1 A 38 38 CYS H H 35 9.227 9.584 -0.357 1
1 198 . 10 1 1 A 38 38 CYS HA H 35 4.516 5.226 -0.710 1
1 201 . 10 1 1 A 38 38 CYS C C 35 174.923 172.927 1.996 1
1 202 . 10 1 1 A 38 38 CYS CA C 35 52.962 54.585 -1.623 1
1 203 . 10 1 1 A 38 38 CYS CB C 35 37.439 46.724 -9.285 1
1 204 . 10 1 1 A 38 38 CYS N N 35 129.056 124.850 4.206 1
1 205 . 10 1 1 A 39 39 ALA H H 36 8.113 8.590 -0.477 1
1 206 . 10 1 1 A 39 39 ALA HA H 36 4.313 4.550 -0.237 1
1 210 . 10 1 1 A 39 39 ALA C C 36 178.809 178.881 -0.072 1
1 211 . 10 1 1 A 39 39 ALA CA C 36 52.125 51.386 0.739 1
1 212 . 10 1 1 A 39 39 ALA CB C 36 19.235 19.991 -0.756 1
1 213 . 10 1 1 A 39 39 ALA N N 36 122.621 124.909 -2.288 1
1 214 . 10 1 1 A 40 40 GLU H H 37 8.701 8.790 -0.089 1
1 215 . 10 1 1 A 40 40 GLU HA H 37 3.826 3.966 -0.140 1
1 220 . 10 1 1 A 40 40 GLU C C 37 177.999 178.542 -0.543 1
1 221 . 10 1 1 A 40 40 GLU CA C 37 60.104 59.687 0.417 1
1 222 . 10 1 1 A 40 40 GLU CB C 37 29.712 29.594 0.118 1
1 224 . 10 1 1 A 40 40 GLU N N 37 120.905 117.912 2.993 1
1 225 . 10 1 1 A 41 41 GLU H H 38 8.870 9.060 -0.190 1
1 226 . 10 1 1 A 41 41 GLU HA H 38 4.233 4.129 0.104 1
1 231 . 10 1 1 A 41 41 GLU C C 38 176.790 177.326 -0.536 1
1 232 . 10 1 1 A 41 41 GLU CA C 38 57.438 58.703 -1.265 1
1 233 . 10 1 1 A 41 41 GLU CB C 38 28.813 28.735 0.078 1
1 235 . 10 1 1 A 41 41 GLU N N 38 113.838 118.120 -4.282 1
1 236 . 10 1 1 A 42 42 GLN H H 39 7.935 7.745 0.190 1
1 237 . 10 1 1 A 42 42 GLN HA H 39 4.069 4.620 -0.551 1
1 242 . 10 1 1 A 42 42 GLN C C 39 174.033 176.204 -2.171 1
1 243 . 10 1 1 A 42 42 GLN CA C 39 55.177 55.007 0.170 1
1 244 . 10 1 1 A 42 42 GLN CB C 39 28.144 28.433 -0.289 1
1 246 . 10 1 1 A 42 42 GLN N N 39 120.919 118.503 2.416 1
1 247 . 10 1 1 A 43 43 THR H H 40 6.846 7.256 -0.410 1
1 248 . 10 1 1 A 43 43 THR HA H 40 4.340 4.336 0.004 1
1 253 . 10 1 1 A 43 43 THR C C 40 175.221 173.567 1.654 1
1 254 . 10 1 1 A 43 43 THR CA C 40 60.677 62.331 -1.654 1
1 255 . 10 1 1 A 43 43 THR CB C 40 68.516 68.972 -0.456 1
1 257 . 10 1 1 A 43 43 THR N N 40 109.859 112.082 -2.223 1
1 258 . 10 1 1 A 44 44 ARG H H 41 8.496 7.601 0.895 1
1 259 . 10 1 1 A 44 44 ARG HA H 41 5.001 4.900 0.101 1
1 266 . 10 1 1 A 44 44 ARG C C 41 174.082 175.069 -0.987 1
1 267 . 10 1 1 A 44 44 ARG CA C 41 52.838 53.967 -1.129 1
1 268 . 10 1 1 A 44 44 ARG CB C 41 34.466 33.794 0.672 1
1 271 . 10 1 1 A 44 44 ARG N N 41 122.000 120.074 1.926 1
1 272 . 10 1 1 A 45 45 CYS H H 42 8.814 8.628 0.186 1
1 273 . 10 1 1 A 45 45 CYS HA H 42 5.566 5.205 0.361 1
1 276 . 10 1 1 A 45 45 CYS C C 42 173.806 171.264 2.542 1
1 277 . 10 1 1 A 45 45 CYS CA C 42 51.956 55.249 -3.293 1
1 278 . 10 1 1 A 45 45 CYS CB C 42 38.526 46.453 -7.927 1
1 279 . 10 1 1 A 45 45 CYS N N 42 115.378 118.313 -2.935 1
1 280 . 10 1 1 A 46 46 LEU H H 43 9.234 9.276 -0.042 1
1 281 . 10 1 1 A 46 46 LEU HA H 43 5.382 5.059 0.323 1
1 291 . 10 1 1 A 46 46 LEU C C 43 176.639 175.435 1.204 1
1 292 . 10 1 1 A 46 46 LEU CA C 43 53.739 53.736 0.003 1
1 293 . 10 1 1 A 46 46 LEU CB C 43 46.024 44.356 1.668 1
1 297 . 10 1 1 A 46 46 LEU N N 43 122.940 128.203 -5.263 1
1 298 . 10 1 1 A 47 47 PHE H H 44 9.048 9.023 0.025 1
1 299 . 10 1 1 A 47 47 PHE HA H 44 5.700 6.001 -0.301 1
1 306 . 10 1 1 A 47 47 PHE C C 44 173.708 173.569 0.139 1
1 307 . 10 1 1 A 47 47 PHE CA C 44 56.494 56.864 -0.370 1
1 308 . 10 1 1 A 47 47 PHE CB C 44 44.246 41.905 2.341 1
1 313 . 10 1 1 A 47 47 PHE N N 44 128.522 127.609 0.913 1
1 314 . 10 1 1 A 48 48 VAL H H 45 8.086 8.413 -0.327 1
1 315 . 10 1 1 A 48 48 VAL HA H 45 4.234 4.271 -0.037 1
1 323 . 10 1 1 A 48 48 VAL C C 45 173.728 174.953 -1.225 1
1 324 . 10 1 1 A 48 48 VAL CA C 45 61.110 60.431 0.679 1
1 325 . 10 1 1 A 48 48 VAL CB C 45 36.121 33.947 2.174 1
1 328 . 10 1 1 A 48 48 VAL N N 45 124.455 127.187 -2.732 1
1 329 . 10 1 1 A 49 49 GLN H H 46 8.391 8.883 -0.492 1
1 330 . 10 1 1 A 49 49 GLN HA H 46 4.155 4.237 -0.082 1
1 335 . 10 1 1 A 49 49 GLN C C 46 174.214 175.651 -1.437 1
1 336 . 10 1 1 A 49 49 GLN CA C 46 54.491 55.927 -1.436 1
1 337 . 10 1 1 A 49 49 GLN CB C 46 29.986 29.069 0.917 1
1 339 . 10 1 1 A 49 49 GLN N N 46 126.537 126.012 0.525 1
1 340 . 10 1 1 A 50 50 LEU H H 47 7.646 8.142 -0.496 1
1 341 . 10 1 1 A 50 50 LEU HA H 47 3.856 4.747 -0.891 1
1 351 . 10 1 1 A 50 50 LEU C C 47 175.649 176.356 -0.707 1
1 352 . 10 1 1 A 50 50 LEU CA C 47 53.706 50.842 2.864 1
1 353 . 10 1 1 A 50 50 LEU CB C 47 39.821 45.395 -5.574 1
1 357 . 10 1 1 A 50 50 LEU N N 47 127.637 124.772 2.865 1
1 358 . 10 1 1 A 51 51 PRO HA H 48 3.921 4.536 -0.615 1
1 365 . 10 1 1 A 51 51 PRO C C 48 177.492 176.764 0.728 1
1 366 . 10 1 1 A 51 51 PRO CA C 48 65.923 64.121 1.802 1
1 367 . 10 1 1 A 51 51 PRO CB C 48 31.509 31.792 -0.283 1
1 370 . 10 1 1 A 52 52 TYR H H 49 7.517 7.561 -0.044 1
1 371 . 10 1 1 A 52 52 TYR HA H 49 4.790 4.913 -0.123 1
1 378 . 10 1 1 A 52 52 TYR C C 49 175.214 174.698 0.516 1
1 379 . 10 1 1 A 52 52 TYR CA C 49 55.767 56.990 -1.223 1
1 380 . 10 1 1 A 52 52 TYR CB C 49 39.277 40.766 -1.489 1
1 385 . 10 1 1 A 52 52 TYR N N 49 109.643 115.525 -5.882 1
1 386 . 10 1 1 A 53 53 SER H H 50 6.986 7.606 -0.620 1
1 387 . 10 1 1 A 53 53 SER HA H 50 4.409 4.836 -0.427 1
1 390 . 10 1 1 A 53 53 SER C C 50 171.925 172.393 -0.468 1
1 391 . 10 1 1 A 53 53 SER CA C 50 57.189 57.373 -0.184 1
1 392 . 10 1 1 A 53 53 SER CB C 50 63.786 66.793 -3.007 1
1 393 . 10 1 1 A 53 53 SER N N 50 112.994 114.520 -1.526 1
1 394 . 10 1 1 A 54 54 GLU H H 51 7.890 8.924 -1.034 1
1 395 . 10 1 1 A 54 54 GLU HA H 51 4.903 4.936 -0.033 1
1 400 . 10 1 1 A 54 54 GLU C C 51 175.536 174.123 1.413 1
1 401 . 10 1 1 A 54 54 GLU CA C 51 54.722 54.970 -0.248 1
1 402 . 10 1 1 A 54 54 GLU CB C 51 33.225 33.647 -0.422 1
1 404 . 10 1 1 A 54 54 GLU N N 51 115.330 118.474 -3.144 1
1 405 . 10 1 1 A 55 55 ILE H H 52 8.600 8.329 0.271 1
1 406 . 10 1 1 A 55 55 ILE HA H 52 4.302 4.820 -0.518 1
1 416 . 10 1 1 A 55 55 ILE C C 52 175.783 175.247 0.536 1
1 417 . 10 1 1 A 55 55 ILE CA C 52 60.360 59.787 0.573 1
1 418 . 10 1 1 A 55 55 ILE CB C 52 39.228 39.871 -0.643 1
1 422 . 10 1 1 A 55 55 ILE N N 52 122.129 123.386 -1.257 1
1 423 . 10 1 1 A 56 56 GLN H H 53 8.573 8.701 -0.128 1
1 424 . 10 1 1 A 56 56 GLN HA H 53 5.394 5.634 -0.240 1
1 429 . 10 1 1 A 56 56 GLN C C 53 174.379 174.550 -0.171 1
1 430 . 10 1 1 A 56 56 GLN CA C 53 54.790 54.885 -0.095 1
1 431 . 10 1 1 A 56 56 GLN CB C 53 33.315 32.380 0.935 1
1 433 . 10 1 1 A 56 56 GLN N N 53 126.768 125.436 1.332 1
1 434 . 10 1 1 A 57 57 GLU H H 54 7.782 8.735 -0.953 1
1 435 . 10 1 1 A 57 57 GLU HA H 54 4.967 4.867 0.100 1
1 440 . 10 1 1 A 57 57 GLU C C 54 176.345 174.610 1.735 1
1 441 . 10 1 1 A 57 57 GLU CA C 54 55.405 55.342 0.063 1
1 442 . 10 1 1 A 57 57 GLU CB C 54 36.080 31.983 4.097 1
1 444 . 10 1 1 A 57 57 GLU N N 54 117.990 120.160 -2.170 1
1 445 . 10 1 1 A 58 58 CYS H H 55 8.780 8.467 0.313 1
1 446 . 10 1 1 A 58 58 CYS HA H 55 5.145 5.079 0.066 1
1 449 . 10 1 1 A 58 58 CYS C C 55 175.293 173.612 1.681 1
1 450 . 10 1 1 A 58 58 CYS CA C 55 57.749 55.887 1.862 1
1 451 . 10 1 1 A 58 58 CYS CB C 55 45.523 42.495 3.028 1
1 452 . 10 1 1 A 58 58 CYS N N 55 119.662 119.983 -0.321 1
1 453 . 10 1 1 A 59 59 LYS H H 56 9.277 8.959 0.318 1
1 454 . 10 1 1 A 59 59 LYS HA H 56 4.896 4.885 0.011 1
1 463 . 10 1 1 A 59 59 LYS C C 56 176.049 176.203 -0.154 1
1 464 . 10 1 1 A 59 59 LYS CA C 56 53.903 54.819 -0.916 1
1 465 . 10 1 1 A 59 59 LYS CB C 56 40.637 36.645 3.992 1
1 469 . 10 1 1 A 59 59 LYS N N 56 120.535 123.239 -2.704 1
1 470 . 10 1 1 A 60 60 THR H H 57 7.997 8.778 -0.781 1
1 471 . 10 1 1 A 60 60 THR HA H 57 4.876 4.805 0.071 1
1 476 . 10 1 1 A 60 60 THR C C 57 175.637 176.186 -0.549 1
1 477 . 10 1 1 A 60 60 THR CA C 57 61.017 61.548 -0.531 1
1 478 . 10 1 1 A 60 60 THR CB C 57 70.774 70.071 0.703 1
1 480 . 10 1 1 A 60 60 THR N N 57 108.910 113.988 -5.078 1
1 481 . 10 1 1 A 61 61 VAL H H 58 8.689 8.578 0.111 1
1 482 . 10 1 1 A 61 61 VAL HA H 58 3.477 3.633 -0.156 1
1 490 . 10 1 1 A 61 61 VAL C C 58 178.541 177.438 1.103 1
1 491 . 10 1 1 A 61 61 VAL CA C 58 67.024 67.096 -0.072 1
1 492 . 10 1 1 A 61 61 VAL CB C 58 31.751 31.856 -0.105 1
1 495 . 10 1 1 A 61 61 VAL N N 58 121.313 123.031 -1.718 1
1 496 . 10 1 1 A 62 62 GLN H H 59 8.564 8.158 0.406 1
1 497 . 10 1 1 A 62 62 GLN HA H 59 4.062 3.999 0.063 1
1 502 . 10 1 1 A 62 62 GLN C C 59 178.871 178.787 0.084 1
1 503 . 10 1 1 A 62 62 GLN CA C 59 58.993 59.270 -0.277 1
1 504 . 10 1 1 A 62 62 GLN CB C 59 28.085 28.393 -0.308 1
1 506 . 10 1 1 A 62 62 GLN N N 59 119.395 119.284 0.111 1
1 507 . 10 1 1 A 63 63 GLN H H 60 7.644 7.724 -0.080 1
1 508 . 10 1 1 A 63 63 GLN HA H 60 4.082 4.385 -0.303 1
1 513 . 10 1 1 A 63 63 GLN C C 60 179.023 178.307 0.716 1
1 514 . 10 1 1 A 63 63 GLN CA C 60 58.106 58.475 -0.369 1
1 515 . 10 1 1 A 63 63 GLN CB C 60 29.283 27.957 1.326 1
1 517 . 10 1 1 A 63 63 GLN N N 60 116.638 117.455 -0.817 1
1 518 . 10 1 1 A 64 64 CYS H H 61 8.543 8.514 0.029 1
1 519 . 10 1 1 A 64 64 CYS HA H 61 3.951 4.382 -0.431 1
1 522 . 10 1 1 A 64 64 CYS C C 61 176.171 176.248 -0.077 1
1 523 . 10 1 1 A 64 64 CYS CA C 61 64.735 58.849 5.886 1
1 524 . 10 1 1 A 64 64 CYS CB C 61 40.828 42.036 -1.208 1
1 525 . 10 1 1 A 64 64 CYS N N 61 118.614 118.921 -0.307 1
1 526 . 10 1 1 A 65 65 ALA H H 62 7.791 7.939 -0.148 1
1 527 . 10 1 1 A 65 65 ALA HA H 62 4.021 4.034 -0.013 1
1 531 . 10 1 1 A 65 65 ALA C C 62 180.353 179.461 0.892 1
1 532 . 10 1 1 A 65 65 ALA CA C 62 55.249 55.237 0.012 1
1 533 . 10 1 1 A 65 65 ALA CB C 62 18.069 18.406 -0.337 1
1 534 . 10 1 1 A 65 65 ALA N N 62 119.479 122.892 -3.413 1
1 535 . 10 1 1 A 66 66 GLU H H 63 7.685 8.119 -0.434 1
1 536 . 10 1 1 A 66 66 GLU HA H 63 4.041 4.024 0.017 1
1 541 . 10 1 1 A 66 66 GLU C C 63 179.701 179.426 0.275 1
1 542 . 10 1 1 A 66 66 GLU CA C 63 59.440 59.613 -0.173 1
1 543 . 10 1 1 A 66 66 GLU CB C 63 29.735 29.440 0.295 1
1 545 . 10 1 1 A 66 66 GLU N N 63 117.981 118.833 -0.852 1
1 546 . 10 1 1 A 67 67 VAL H H 64 7.795 8.322 -0.527 1
1 547 . 10 1 1 A 67 67 VAL HA H 64 3.826 4.304 -0.478 1
1 555 . 10 1 1 A 67 67 VAL C C 64 178.078 177.825 0.253 1
1 556 . 10 1 1 A 67 67 VAL CA C 64 66.262 65.951 0.311 1
1 557 . 10 1 1 A 67 67 VAL CB C 64 31.703 31.209 0.494 1
1 560 . 10 1 1 A 67 67 VAL N N 64 120.422 117.063 3.359 1
1 561 . 10 1 1 A 68 68 LEU H H 65 8.563 8.249 0.314 1
1 562 . 10 1 1 A 68 68 LEU HA H 65 3.897 3.933 -0.036 1
1 572 . 10 1 1 A 68 68 LEU C C 65 180.593 178.356 2.237 1
1 573 . 10 1 1 A 68 68 LEU CA C 65 58.495 58.763 -0.268 1
1 574 . 10 1 1 A 68 68 LEU CB C 65 41.633 41.508 0.125 1
1 578 . 10 1 1 A 68 68 LEU N N 65 119.314 125.206 -5.892 1
1 579 . 10 1 1 A 69 69 GLU H H 66 8.071 7.870 0.201 1
1 580 . 10 1 1 A 69 69 GLU HA H 66 3.947 4.035 -0.088 1
1 585 . 10 1 1 A 69 69 GLU C C 66 178.591 178.429 0.162 1
1 586 . 10 1 1 A 69 69 GLU CA C 66 59.727 59.096 0.631 1
1 587 . 10 1 1 A 69 69 GLU CB C 66 29.549 29.100 0.449 1
1 589 . 10 1 1 A 69 69 GLU N N 66 120.124 118.687 1.437 1
1 590 . 10 1 1 A 70 70 GLU H H 67 7.471 8.083 -0.612 1
1 591 . 10 1 1 A 70 70 GLU HA H 67 4.111 4.104 0.007 1
1 596 . 10 1 1 A 70 70 GLU C C 67 179.873 178.225 1.648 1
1 597 . 10 1 1 A 70 70 GLU CA C 67 59.439 59.246 0.193 1
1 598 . 10 1 1 A 70 70 GLU CB C 67 30.021 29.218 0.803 1
1 600 . 10 1 1 A 70 70 GLU N N 67 119.545 117.734 1.811 1
1 601 . 10 1 1 A 71 71 VAL H H 68 8.790 7.369 1.421 1
1 602 . 10 1 1 A 71 71 VAL HA H 68 4.137 3.835 0.302 1
1 610 . 10 1 1 A 71 71 VAL C C 68 178.818 178.580 0.238 1
1 611 . 10 1 1 A 71 71 VAL CA C 68 64.321 65.529 -1.208 1
1 612 . 10 1 1 A 71 71 VAL CB C 68 31.230 31.555 -0.325 1
1 615 . 10 1 1 A 71 71 VAL N N 68 111.497 116.796 -5.299 1
1 616 . 10 1 1 A 72 72 THR H H 69 8.231 8.226 0.005 1
1 617 . 10 1 1 A 72 72 THR HA H 69 4.161 3.984 0.177 1
1 622 . 10 1 1 A 72 72 THR C C 69 177.502 176.855 0.647 1
1 623 . 10 1 1 A 72 72 THR CA C 69 66.179 66.367 -0.188 1
1 624 . 10 1 1 A 72 72 THR CB C 69 68.770 68.700 0.070 1
1 626 . 10 1 1 A 72 72 THR N N 69 118.078 116.936 1.142 1
1 627 . 10 1 1 A 73 73 ALA H H 70 7.177 8.410 -1.233 1
1 628 . 10 1 1 A 73 73 ALA HA H 70 4.139 4.168 -0.029 1
1 632 . 10 1 1 A 73 73 ALA C C 70 179.116 179.735 -0.619 1
1 633 . 10 1 1 A 73 73 ALA CA C 70 54.690 54.651 0.039 1
1 634 . 10 1 1 A 73 73 ALA CB C 70 18.039 18.283 -0.244 1
1 635 . 10 1 1 A 73 73 ALA N N 70 123.757 123.026 0.731 1
1 636 . 10 1 1 A 74 74 ILE H H 71 6.874 7.451 -0.577 1
1 637 . 10 1 1 A 74 74 ILE HA H 71 3.988 4.115 -0.127 1
1 647 . 10 1 1 A 74 74 ILE C C 71 176.201 176.101 0.100 1
1 648 . 10 1 1 A 74 74 ILE CA C 71 61.927 62.063 -0.136 1
1 649 . 10 1 1 A 74 74 ILE CB C 71 38.431 38.781 -0.350 1
1 653 . 10 1 1 A 74 74 ILE N N 71 113.131 115.596 -2.465 1
1 654 . 10 1 1 A 75 75 GLY H H 72 7.476 7.821 -0.345 1
1 655 . 10 1 1 A 75 75 GLY HA2 H 72 3.663 3.885 -0.222 1
1 656 . 10 1 1 A 75 75 GLY HA3 H 72 4.166 3.967 0.199 1
1 657 . 10 1 1 A 75 75 GLY C C 72 174.832 173.770 1.062 1
1 658 . 10 1 1 A 75 75 GLY CA C 72 45.144 44.846 0.298 1
1 659 . 10 1 1 A 75 75 GLY N N 72 106.405 108.258 -1.853 1
1 660 . 10 1 1 A 76 76 TYR H H 73 7.340 8.027 -0.687 1
1 661 . 10 1 1 A 76 76 TYR HA H 73 5.184 4.693 0.491 1
1 668 . 10 1 1 A 76 76 TYR C C 73 173.889 174.009 -0.120 1
1 669 . 10 1 1 A 76 76 TYR CA C 73 52.922 55.925 -3.003 1
1 670 . 10 1 1 A 76 76 TYR CB C 73 36.723 38.739 -2.016 1
1 675 . 10 1 1 A 76 76 TYR N N 73 122.416 120.284 2.132 1
1 676 . 10 1 1 A 77 77 PRO HA H 74 4.394 4.419 -0.025 1
1 683 . 10 1 1 A 77 77 PRO C C 74 175.722 176.278 -0.556 1
1 684 . 10 1 1 A 77 77 PRO CA C 74 63.242 63.121 0.121 1
1 685 . 10 1 1 A 77 77 PRO CB C 74 32.460 32.087 0.373 1
1 688 . 10 1 1 A 78 78 ALA H H 75 7.778 8.463 -0.685 1
1 689 . 10 1 1 A 78 78 ALA HA H 75 5.239 5.094 0.145 1
1 693 . 10 1 1 A 78 78 ALA C C 75 176.207 175.469 0.738 1
1 694 . 10 1 1 A 78 78 ALA CA C 75 51.422 50.488 0.934 1
1 695 . 10 1 1 A 78 78 ALA CB C 75 25.258 23.695 1.563 1
1 696 . 10 1 1 A 78 78 ALA N N 75 122.638 123.665 -1.027 1
1 697 . 10 1 1 A 79 79 LYS H H 76 9.213 9.292 -0.079 1
1 698 . 10 1 1 A 79 79 LYS HA H 76 4.632 5.273 -0.641 1
1 707 . 10 1 1 A 79 79 LYS C C 76 173.669 175.550 -1.881 1
1 708 . 10 1 1 A 79 79 LYS CA C 76 55.912 54.816 1.096 1
1 709 . 10 1 1 A 79 79 LYS CB C 76 36.309 36.260 0.049 1
1 713 . 10 1 1 A 79 79 LYS N N 76 115.751 117.657 -1.906 1
1 714 . 10 1 1 A 80 80 CYS H H 77 8.602 8.652 -0.050 1
1 715 . 10 1 1 A 80 80 CYS HA H 77 5.535 6.072 -0.537 1
1 718 . 10 1 1 A 80 80 CYS C C 77 174.029 172.104 1.925 1
1 719 . 10 1 1 A 80 80 CYS CA C 77 56.029 55.743 0.286 1
1 720 . 10 1 1 A 80 80 CYS CB C 77 47.796 44.235 3.561 1
1 721 . 10 1 1 A 80 80 CYS N N 77 119.633 119.925 -0.292 1
1 722 . 10 1 1 A 81 81 CYS H H 78 9.428 9.240 0.188 1
1 723 . 10 1 1 A 81 81 CYS HA H 78 5.391 5.278 0.113 1
1 726 . 10 1 1 A 81 81 CYS C C 78 173.980 172.073 1.907 1
1 727 . 10 1 1 A 81 81 CYS CA C 78 54.237 53.825 0.412 1
1 728 . 10 1 1 A 81 81 CYS CB C 78 47.557 47.246 0.311 1
1 729 . 10 1 1 A 81 81 CYS N N 78 120.091 123.817 -3.726 1
1 730 . 10 1 1 A 82 82 CYS H H 79 9.291 8.551 0.740 1
1 731 . 10 1 1 A 82 82 CYS HA H 79 5.134 5.253 -0.119 1
1 734 . 10 1 1 A 82 82 CYS C C 79 172.349 173.915 -1.566 1
1 735 . 10 1 1 A 82 82 CYS CA C 79 56.628 57.285 -0.657 1
1 736 . 10 1 1 A 82 82 CYS CB C 79 46.122 28.494 17.628 1
1 737 . 10 1 1 A 82 82 CYS N N 79 117.137 120.179 -3.042 1
1 738 . 10 1 1 A 83 83 GLU H H 80 7.283 8.535 -1.252 1
1 739 . 10 1 1 A 83 83 GLU HA H 80 4.625 4.657 -0.032 1
1 744 . 10 1 1 A 83 83 GLU C C 80 174.435 174.431 0.004 1
1 745 . 10 1 1 A 83 83 GLU CA C 80 54.873 56.013 -1.140 1
1 746 . 10 1 1 A 83 83 GLU CB C 80 33.106 34.068 -0.962 1
1 748 . 10 1 1 A 83 83 GLU N N 80 120.821 123.410 -2.589 1
1 749 . 10 1 1 A 84 84 ASP H H 81 8.433 8.612 -0.179 1
1 750 . 10 1 1 A 84 84 ASP HA H 81 4.956 4.237 0.719 1
1 753 . 10 1 1 A 84 84 ASP C C 81 178.149 176.690 1.459 1
1 754 . 10 1 1 A 84 84 ASP CA C 81 55.409 55.096 0.313 1
1 755 . 10 1 1 A 84 84 ASP CB C 81 40.817 40.946 -0.129 1
1 756 . 10 1 1 A 84 84 ASP N N 81 121.789 124.841 -3.052 1
1 757 . 10 1 1 A 85 85 LEU H H 82 9.244 9.300 -0.056 1
1 758 . 10 1 1 A 85 85 LEU HA H 82 3.308 3.411 -0.103 1
1 765 . 10 1 1 A 85 85 LEU C C 82 176.858 176.672 0.186 1
1 766 . 10 1 1 A 85 85 LEU CA C 82 56.047 56.037 0.010 1
1 767 . 10 1 1 A 85 85 LEU CB C 82 36.885 39.072 -2.187 1
1 770 . 10 1 1 A 85 85 LEU N N 82 114.422 117.525 -3.103 1
1 771 . 10 1 1 A 86 86 CYS H H 83 8.005 7.688 0.317 1
1 772 . 10 1 1 A 86 86 CYS HA H 83 4.547 4.341 0.206 1
1 775 . 10 1 1 A 86 86 CYS C C 83 174.632 174.853 -0.221 1
1 776 . 10 1 1 A 86 86 CYS CA C 83 57.206 59.339 -2.133 1
1 777 . 10 1 1 A 86 86 CYS CB C 83 47.155 41.943 5.212 1
1 778 . 10 1 1 A 86 86 CYS N N 83 112.558 116.772 -4.214 1
1 779 . 10 1 1 A 87 87 ASN H H 84 8.859 8.339 0.520 1
1 780 . 10 1 1 A 87 87 ASN HA H 84 4.526 4.778 -0.252 1
1 783 . 10 1 1 A 87 87 ASN C C 84 172.146 173.948 -1.802 1
1 784 . 10 1 1 A 87 87 ASN CA C 84 52.617 52.886 -0.269 1
1 785 . 10 1 1 A 87 87 ASN CB C 84 36.673 37.578 -0.905 1
1 786 . 10 1 1 A 87 87 ASN N N 84 119.985 114.612 5.373 1
1 787 . 10 1 1 A 88 88 ARG H H 85 7.353 8.003 -0.650 1
1 788 . 10 1 1 A 88 88 ARG HA H 85 3.734 4.870 -1.136 1
1 795 . 10 1 1 A 88 88 ARG C C 85 173.901 174.957 -1.056 1
1 796 . 10 1 1 A 88 88 ARG CA C 85 55.058 53.979 1.079 1
1 797 . 10 1 1 A 88 88 ARG CB C 85 31.857 33.723 -1.866 1
1 800 . 10 1 1 A 88 88 ARG N N 85 118.446 125.306 -6.860 1
1 801 . 10 1 1 A 89 89 SER H H 86 7.987 8.833 -0.846 1
1 802 . 10 1 1 A 89 89 SER HA H 86 3.689 4.286 -0.597 1
1 805 . 10 1 1 A 89 89 SER C C 86 174.342 175.050 -0.708 1
1 806 . 10 1 1 A 89 89 SER CA C 86 57.844 57.805 0.039 1
1 807 . 10 1 1 A 89 89 SER CB C 86 63.504 62.486 1.018 1
1 808 . 10 1 1 A 89 89 SER N N 86 115.514 118.709 -3.195 1
1 809 . 10 1 1 A 90 90 GLU H H 87 8.461 8.230 0.231 1
1 810 . 10 1 1 A 90 90 GLU HA H 87 4.125 4.447 -0.322 1
1 815 . 10 1 1 A 90 90 GLU C C 87 175.632 177.071 -1.439 1
1 816 . 10 1 1 A 90 90 GLU CA C 87 56.799 57.691 -0.892 1
1 817 . 10 1 1 A 90 90 GLU CB C 87 30.049 30.935 -0.886 1
1 819 . 10 1 1 A 90 90 GLU N N 87 122.917 121.482 1.435 1
1 16 . 11 1 1 A 22 22 ALA H H 19 8.052 7.451 0.601 1
1 17 . 11 1 1 A 22 22 ALA HA H 19 4.191 4.230 -0.039 1
1 21 . 11 1 1 A 22 22 ALA C C 19 176.151 176.726 -0.575 1
1 22 . 11 1 1 A 22 22 ALA CA C 19 51.960 53.029 -1.069 1
1 23 . 11 1 1 A 22 22 ALA CB C 19 19.784 19.286 0.498 1
1 24 . 11 1 1 A 22 22 ALA N N 19 125.891 122.494 3.397 1
1 25 . 11 1 1 A 23 23 LEU H H 20 8.117 8.396 -0.279 1
1 26 . 11 1 1 A 23 23 LEU HA H 20 4.273 5.048 -0.775 1
1 36 . 11 1 1 A 23 23 LEU C C 20 174.307 174.664 -0.357 1
1 37 . 11 1 1 A 23 23 LEU CA C 20 54.838 53.528 1.310 1
1 38 . 11 1 1 A 23 23 LEU CB C 20 44.574 45.170 -0.596 1
1 42 . 11 1 1 A 23 23 LEU N N 20 125.488 125.391 0.097 1
1 43 . 11 1 1 A 24 24 LYS H H 21 7.915 8.617 -0.702 1
1 44 . 11 1 1 A 24 24 LYS HA H 21 5.287 5.017 0.270 1
1 53 . 11 1 1 A 24 24 LYS C C 21 175.901 175.435 0.466 1
1 54 . 11 1 1 A 24 24 LYS CA C 21 54.174 55.248 -1.074 1
1 55 . 11 1 1 A 24 24 LYS CB C 21 34.841 33.147 1.694 1
1 59 . 11 1 1 A 24 24 LYS N N 21 122.369 125.208 -2.839 1
1 60 . 11 1 1 A 25 25 CYS H H 22 8.426 8.633 -0.207 1
1 61 . 11 1 1 A 25 25 CYS HA H 22 4.886 5.133 -0.247 1
1 64 . 11 1 1 A 25 25 CYS C C 22 175.309 172.752 2.557 1
1 65 . 11 1 1 A 25 25 CYS CA C 22 51.680 54.998 -3.318 1
1 66 . 11 1 1 A 25 25 CYS CB C 22 41.829 46.185 -4.356 1
1 67 . 11 1 1 A 25 25 CYS N N 22 117.505 122.590 -5.085 1
1 68 . 11 1 1 A 26 26 PHE H H 23 8.960 9.313 -0.353 1
1 69 . 11 1 1 A 26 26 PHE HA H 23 5.057 5.136 -0.079 1
1 74 . 11 1 1 A 26 26 PHE C C 23 176.694 175.641 1.053 1
1 75 . 11 1 1 A 26 26 PHE CA C 23 60.302 57.388 2.914 1
1 76 . 11 1 1 A 26 26 PHE CB C 23 39.490 40.396 -0.906 1
1 79 . 11 1 1 A 26 26 PHE N N 23 120.038 121.329 -1.291 1
1 80 . 11 1 1 A 27 27 THR H H 24 9.071 9.184 -0.113 1
1 81 . 11 1 1 A 27 27 THR HA H 24 4.960 5.311 -0.351 1
1 86 . 11 1 1 A 27 27 THR C C 24 173.722 172.554 1.168 1
1 87 . 11 1 1 A 27 27 THR CA C 24 59.835 60.088 -0.253 1
1 88 . 11 1 1 A 27 27 THR CB C 24 71.382 71.211 0.171 1
1 90 . 11 1 1 A 27 27 THR N N 24 114.266 113.832 0.434 1
1 91 . 11 1 1 A 28 28 ARG H H 25 8.398 9.167 -0.769 1
1 92 . 11 1 1 A 28 28 ARG HA H 25 5.158 5.387 -0.229 1
1 99 . 11 1 1 A 28 28 ARG C C 25 175.547 175.029 0.518 1
1 100 . 11 1 1 A 28 28 ARG CA C 25 54.586 55.202 -0.616 1
1 101 . 11 1 1 A 28 28 ARG CB C 25 32.443 31.583 0.860 1
1 104 . 11 1 1 A 28 28 ARG N N 25 123.189 125.104 -1.915 1
1 105 . 11 1 1 A 29 29 ASN H H 26 8.589 8.886 -0.297 1
1 106 . 11 1 1 A 29 29 ASN HA H 26 4.938 5.073 -0.135 1
1 109 . 11 1 1 A 29 29 ASN C C 26 175.273 174.844 0.429 1
1 110 . 11 1 1 A 29 29 ASN CA C 26 52.276 52.519 -0.243 1
1 111 . 11 1 1 A 29 29 ASN CB C 26 39.660 41.139 -1.479 1
1 112 . 11 1 1 A 29 29 ASN N N 26 125.242 124.346 0.896 1
1 113 . 11 1 1 A 30 30 GLY H H 27 9.046 9.210 -0.164 1
1 114 . 11 1 1 A 30 30 GLY HA2 H 27 3.649 3.906 -0.257 1
1 115 . 11 1 1 A 30 30 GLY HA3 H 27 3.996 3.908 0.088 1
1 116 . 11 1 1 A 30 30 GLY C C 27 174.707 174.147 0.560 1
1 117 . 11 1 1 A 30 30 GLY CA C 27 46.906 46.021 0.885 1
1 118 . 11 1 1 A 30 30 GLY N N 27 115.613 114.046 1.567 1
1 119 . 11 1 1 A 31 31 ASP H H 28 8.956 8.556 0.400 1
1 120 . 11 1 1 A 31 31 ASP HA H 28 4.648 4.328 0.320 1
1 123 . 11 1 1 A 31 31 ASP C C 28 175.670 175.022 0.648 1
1 124 . 11 1 1 A 31 31 ASP CA C 28 54.939 55.509 -0.570 1
1 125 . 11 1 1 A 31 31 ASP CB C 28 41.505 40.629 0.876 1
1 126 . 11 1 1 A 31 31 ASP N N 28 126.791 118.443 8.348 1
1 127 . 11 1 1 A 32 32 ASP H H 29 7.973 7.842 0.131 1
1 128 . 11 1 1 A 32 32 ASP HA H 29 4.778 4.870 -0.092 1
1 131 . 11 1 1 A 32 32 ASP C C 29 174.871 175.827 -0.956 1
1 132 . 11 1 1 A 32 32 ASP CA C 29 54.192 53.941 0.251 1
1 133 . 11 1 1 A 32 32 ASP CB C 29 42.663 42.745 -0.082 1
1 134 . 11 1 1 A 32 32 ASP N N 29 120.240 119.805 0.435 1
1 135 . 11 1 1 A 33 33 ARG H H 30 8.682 8.980 -0.298 1
1 136 . 11 1 1 A 33 33 ARG HA H 30 5.020 5.338 -0.318 1
1 143 . 11 1 1 A 33 33 ARG C C 30 175.569 175.440 0.129 1
1 144 . 11 1 1 A 33 33 ARG CA C 30 55.487 54.906 0.581 1
1 145 . 11 1 1 A 33 33 ARG CB C 30 31.962 31.785 0.177 1
1 148 . 11 1 1 A 33 33 ARG N N 30 125.183 123.420 1.763 1
1 149 . 11 1 1 A 34 34 THR H H 31 8.976 9.024 -0.048 1
1 150 . 11 1 1 A 34 34 THR HA H 31 4.764 4.983 -0.219 1
1 155 . 11 1 1 A 34 34 THR C C 31 172.745 173.946 -1.201 1
1 156 . 11 1 1 A 34 34 THR CA C 31 59.891 61.843 -1.952 1
1 157 . 11 1 1 A 34 34 THR CB C 31 71.522 71.277 0.245 1
1 159 . 11 1 1 A 34 34 THR N N 31 120.162 120.440 -0.278 1
1 160 . 11 1 1 A 35 35 VAL H H 32 8.286 8.593 -0.307 1
1 161 . 11 1 1 A 35 35 VAL HA H 32 4.110 3.974 0.136 1
1 169 . 11 1 1 A 35 35 VAL C C 32 175.720 175.485 0.235 1
1 170 . 11 1 1 A 35 35 VAL CA C 32 62.838 62.795 0.043 1
1 171 . 11 1 1 A 35 35 VAL CB C 32 32.883 31.052 1.831 1
1 174 . 11 1 1 A 35 35 VAL N N 32 122.209 126.681 -4.472 1
1 175 . 11 1 1 A 36 36 THR H H 33 8.749 8.682 0.067 1
1 176 . 11 1 1 A 36 36 THR HA H 33 4.486 5.282 -0.796 1
1 181 . 11 1 1 A 36 36 THR C C 33 173.029 172.568 0.461 1
1 182 . 11 1 1 A 36 36 THR CA C 33 61.029 59.231 1.798 1
1 183 . 11 1 1 A 36 36 THR CB C 33 71.425 71.547 -0.122 1
1 185 . 11 1 1 A 36 36 THR N N 33 125.259 118.254 7.005 1
1 186 . 11 1 1 A 37 37 THR H H 34 8.544 8.741 -0.197 1
1 187 . 11 1 1 A 37 37 THR HA H 34 4.371 4.540 -0.169 1
1 192 . 11 1 1 A 37 37 THR C C 34 173.839 173.484 0.355 1
1 193 . 11 1 1 A 37 37 THR CA C 34 62.892 60.969 1.923 1
1 194 . 11 1 1 A 37 37 THR CB C 34 68.156 69.373 -1.217 1
1 196 . 11 1 1 A 37 37 THR N N 34 122.774 118.357 4.417 1
1 197 . 11 1 1 A 38 38 CYS H H 35 9.227 9.173 0.054 1
1 198 . 11 1 1 A 38 38 CYS HA H 35 4.516 4.757 -0.241 1
1 201 . 11 1 1 A 38 38 CYS C C 35 174.923 173.959 0.964 1
1 202 . 11 1 1 A 38 38 CYS CA C 35 52.962 55.407 -2.445 1
1 203 . 11 1 1 A 38 38 CYS CB C 35 37.439 43.947 -6.508 1
1 204 . 11 1 1 A 38 38 CYS N N 35 129.056 127.291 1.765 1
1 205 . 11 1 1 A 39 39 ALA H H 36 8.113 8.736 -0.623 1
1 206 . 11 1 1 A 39 39 ALA HA H 36 4.313 4.471 -0.158 1
1 210 . 11 1 1 A 39 39 ALA C C 36 178.809 178.545 0.264 1
1 211 . 11 1 1 A 39 39 ALA CA C 36 52.125 51.743 0.382 1
1 212 . 11 1 1 A 39 39 ALA CB C 36 19.235 19.911 -0.676 1
1 213 . 11 1 1 A 39 39 ALA N N 36 122.621 125.111 -2.490 1
1 214 . 11 1 1 A 40 40 GLU H H 37 8.701 8.809 -0.108 1
1 215 . 11 1 1 A 40 40 GLU HA H 37 3.826 3.977 -0.151 1
1 220 . 11 1 1 A 40 40 GLU C C 37 177.999 178.260 -0.261 1
1 221 . 11 1 1 A 40 40 GLU CA C 37 60.104 59.670 0.434 1
1 222 . 11 1 1 A 40 40 GLU CB C 37 29.712 29.325 0.387 1
1 224 . 11 1 1 A 40 40 GLU N N 37 120.905 117.975 2.930 1
1 225 . 11 1 1 A 41 41 GLU H H 38 8.870 8.735 0.135 1
1 226 . 11 1 1 A 41 41 GLU HA H 38 4.233 4.172 0.061 1
1 231 . 11 1 1 A 41 41 GLU C C 38 176.790 176.969 -0.179 1
1 232 . 11 1 1 A 41 41 GLU CA C 38 57.438 58.396 -0.958 1
1 233 . 11 1 1 A 41 41 GLU CB C 38 28.813 28.510 0.303 1
1 235 . 11 1 1 A 41 41 GLU N N 38 113.838 117.577 -3.739 1
1 236 . 11 1 1 A 42 42 GLN H H 39 7.935 7.615 0.320 1
1 237 . 11 1 1 A 42 42 GLN HA H 39 4.069 4.558 -0.489 1
1 242 . 11 1 1 A 42 42 GLN C C 39 174.033 176.115 -2.082 1
1 243 . 11 1 1 A 42 42 GLN CA C 39 55.177 54.037 1.140 1
1 244 . 11 1 1 A 42 42 GLN CB C 39 28.144 27.290 0.854 1
1 246 . 11 1 1 A 42 42 GLN N N 39 120.919 119.297 1.622 1
1 247 . 11 1 1 A 43 43 THR H H 40 6.846 7.803 -0.957 1
1 248 . 11 1 1 A 43 43 THR HA H 40 4.340 4.527 -0.187 1
1 253 . 11 1 1 A 43 43 THR C C 40 175.221 173.275 1.946 1
1 254 . 11 1 1 A 43 43 THR CA C 40 60.677 61.793 -1.116 1
1 255 . 11 1 1 A 43 43 THR CB C 40 68.516 69.028 -0.512 1
1 257 . 11 1 1 A 43 43 THR N N 40 109.859 114.606 -4.747 1
1 258 . 11 1 1 A 44 44 ARG H H 41 8.496 7.643 0.853 1
1 259 . 11 1 1 A 44 44 ARG HA H 41 5.001 4.802 0.199 1
1 266 . 11 1 1 A 44 44 ARG C C 41 174.082 175.260 -1.178 1
1 267 . 11 1 1 A 44 44 ARG CA C 41 52.838 54.022 -1.184 1
1 268 . 11 1 1 A 44 44 ARG CB C 41 34.466 33.411 1.055 1
1 271 . 11 1 1 A 44 44 ARG N N 41 122.000 120.090 1.910 1
1 272 . 11 1 1 A 45 45 CYS H H 42 8.814 8.600 0.214 1
1 273 . 11 1 1 A 45 45 CYS HA H 42 5.566 5.215 0.351 1
1 276 . 11 1 1 A 45 45 CYS C C 42 173.806 171.363 2.443 1
1 277 . 11 1 1 A 45 45 CYS CA C 42 51.956 55.157 -3.201 1
1 278 . 11 1 1 A 45 45 CYS CB C 42 38.526 46.158 -7.632 1
1 279 . 11 1 1 A 45 45 CYS N N 42 115.378 118.502 -3.124 1
1 280 . 11 1 1 A 46 46 LEU H H 43 9.234 9.531 -0.297 1
1 281 . 11 1 1 A 46 46 LEU HA H 43 5.382 5.034 0.348 1
1 291 . 11 1 1 A 46 46 LEU C C 43 176.639 175.407 1.232 1
1 292 . 11 1 1 A 46 46 LEU CA C 43 53.739 53.508 0.231 1
1 293 . 11 1 1 A 46 46 LEU CB C 43 46.024 44.477 1.547 1
1 297 . 11 1 1 A 46 46 LEU N N 43 122.940 128.203 -5.263 1
1 298 . 11 1 1 A 47 47 PHE H H 44 9.048 8.845 0.203 1
1 299 . 11 1 1 A 47 47 PHE HA H 44 5.700 5.930 -0.230 1
1 306 . 11 1 1 A 47 47 PHE C C 44 173.708 173.820 -0.112 1
1 307 . 11 1 1 A 47 47 PHE CA C 44 56.494 57.297 -0.803 1
1 308 . 11 1 1 A 47 47 PHE CB C 44 44.246 41.426 2.820 1
1 313 . 11 1 1 A 47 47 PHE N N 44 128.522 127.137 1.385 1
1 314 . 11 1 1 A 48 48 VAL H H 45 8.086 9.252 -1.166 1
1 315 . 11 1 1 A 48 48 VAL HA H 45 4.234 4.611 -0.377 1
1 323 . 11 1 1 A 48 48 VAL C C 45 173.728 175.360 -1.632 1
1 324 . 11 1 1 A 48 48 VAL CA C 45 61.110 60.825 0.285 1
1 325 . 11 1 1 A 48 48 VAL CB C 45 36.121 33.696 2.425 1
1 328 . 11 1 1 A 48 48 VAL N N 45 124.455 128.050 -3.595 1
1 329 . 11 1 1 A 49 49 GLN H H 46 8.391 8.909 -0.518 1
1 330 . 11 1 1 A 49 49 GLN HA H 46 4.155 4.519 -0.364 1
1 335 . 11 1 1 A 49 49 GLN C C 46 174.214 175.667 -1.453 1
1 336 . 11 1 1 A 49 49 GLN CA C 46 54.491 56.212 -1.721 1
1 337 . 11 1 1 A 49 49 GLN CB C 46 29.986 29.344 0.642 1
1 339 . 11 1 1 A 49 49 GLN N N 46 126.537 126.289 0.248 1
1 340 . 11 1 1 A 50 50 LEU H H 47 7.646 8.268 -0.622 1
1 341 . 11 1 1 A 50 50 LEU HA H 47 3.856 4.769 -0.913 1
1 351 . 11 1 1 A 50 50 LEU C C 47 175.649 176.647 -0.998 1
1 352 . 11 1 1 A 50 50 LEU CA C 47 53.706 51.270 2.436 1
1 353 . 11 1 1 A 50 50 LEU CB C 47 39.821 44.794 -4.973 1
1 357 . 11 1 1 A 50 50 LEU N N 47 127.637 124.326 3.311 1
1 358 . 11 1 1 A 51 51 PRO HA H 48 3.921 4.539 -0.618 1
1 365 . 11 1 1 A 51 51 PRO C C 48 177.492 176.952 0.540 1
1 366 . 11 1 1 A 51 51 PRO CA C 48 65.923 64.105 1.818 1
1 367 . 11 1 1 A 51 51 PRO CB C 48 31.509 32.080 -0.571 1
1 370 . 11 1 1 A 52 52 TYR H H 49 7.517 7.881 -0.364 1
1 371 . 11 1 1 A 52 52 TYR HA H 49 4.790 4.777 0.013 1
1 378 . 11 1 1 A 52 52 TYR C C 49 175.214 175.217 -0.003 1
1 379 . 11 1 1 A 52 52 TYR CA C 49 55.767 57.556 -1.789 1
1 380 . 11 1 1 A 52 52 TYR CB C 49 39.277 40.194 -0.917 1
1 385 . 11 1 1 A 52 52 TYR N N 49 109.643 116.151 -6.508 1
1 386 . 11 1 1 A 53 53 SER H H 50 6.986 7.224 -0.238 1
1 387 . 11 1 1 A 53 53 SER HA H 50 4.409 4.881 -0.472 1
1 390 . 11 1 1 A 53 53 SER C C 50 171.925 172.561 -0.636 1
1 391 . 11 1 1 A 53 53 SER CA C 50 57.189 56.802 0.387 1
1 392 . 11 1 1 A 53 53 SER CB C 50 63.786 65.915 -2.129 1
1 393 . 11 1 1 A 53 53 SER N N 50 112.994 115.153 -2.159 1
1 394 . 11 1 1 A 54 54 GLU H H 51 7.890 9.012 -1.122 1
1 395 . 11 1 1 A 54 54 GLU HA H 51 4.903 5.176 -0.273 1
1 400 . 11 1 1 A 54 54 GLU C C 51 175.536 174.506 1.030 1
1 401 . 11 1 1 A 54 54 GLU CA C 51 54.722 54.825 -0.103 1
1 402 . 11 1 1 A 54 54 GLU CB C 51 33.225 33.714 -0.489 1
1 404 . 11 1 1 A 54 54 GLU N N 51 115.330 118.260 -2.930 1
1 405 . 11 1 1 A 55 55 ILE H H 52 8.600 8.917 -0.317 1
1 406 . 11 1 1 A 55 55 ILE HA H 52 4.302 4.729 -0.427 1
1 416 . 11 1 1 A 55 55 ILE C C 52 175.783 175.355 0.428 1
1 417 . 11 1 1 A 55 55 ILE CA C 52 60.360 60.099 0.261 1
1 418 . 11 1 1 A 55 55 ILE CB C 52 39.228 38.598 0.630 1
1 422 . 11 1 1 A 55 55 ILE N N 52 122.129 124.027 -1.898 1
1 423 . 11 1 1 A 56 56 GLN H H 53 8.573 8.679 -0.106 1
1 424 . 11 1 1 A 56 56 GLN HA H 53 5.394 5.779 -0.385 1
1 429 . 11 1 1 A 56 56 GLN C C 53 174.379 174.594 -0.215 1
1 430 . 11 1 1 A 56 56 GLN CA C 53 54.790 54.538 0.252 1
1 431 . 11 1 1 A 56 56 GLN CB C 53 33.315 32.291 1.024 1
1 433 . 11 1 1 A 56 56 GLN N N 53 126.768 125.962 0.806 1
1 434 . 11 1 1 A 57 57 GLU H H 54 7.782 8.676 -0.894 1
1 435 . 11 1 1 A 57 57 GLU HA H 54 4.967 4.655 0.312 1
1 440 . 11 1 1 A 57 57 GLU C C 54 176.345 174.486 1.859 1
1 441 . 11 1 1 A 57 57 GLU CA C 54 55.405 56.220 -0.815 1
1 442 . 11 1 1 A 57 57 GLU CB C 54 36.080 34.011 2.069 1
1 444 . 11 1 1 A 57 57 GLU N N 54 117.990 122.478 -4.488 1
1 445 . 11 1 1 A 58 58 CYS H H 55 8.780 8.407 0.373 1
1 446 . 11 1 1 A 58 58 CYS HA H 55 5.145 5.325 -0.180 1
1 449 . 11 1 1 A 58 58 CYS C C 55 175.293 173.646 1.647 1
1 450 . 11 1 1 A 58 58 CYS CA C 55 57.749 54.883 2.866 1
1 451 . 11 1 1 A 58 58 CYS CB C 55 45.523 43.776 1.747 1
1 452 . 11 1 1 A 58 58 CYS N N 55 119.662 121.643 -1.981 1
1 453 . 11 1 1 A 59 59 LYS H H 56 9.277 8.416 0.861 1
1 454 . 11 1 1 A 59 59 LYS HA H 56 4.896 4.907 -0.011 1
1 463 . 11 1 1 A 59 59 LYS C C 56 176.049 176.277 -0.228 1
1 464 . 11 1 1 A 59 59 LYS CA C 56 53.903 54.483 -0.580 1
1 465 . 11 1 1 A 59 59 LYS CB C 56 40.637 36.044 4.593 1
1 469 . 11 1 1 A 59 59 LYS N N 56 120.535 124.541 -4.006 1
1 470 . 11 1 1 A 60 60 THR H H 57 7.997 8.767 -0.770 1
1 471 . 11 1 1 A 60 60 THR HA H 57 4.876 4.443 0.433 1
1 476 . 11 1 1 A 60 60 THR C C 57 175.637 176.291 -0.654 1
1 477 . 11 1 1 A 60 60 THR CA C 57 61.017 61.613 -0.596 1
1 478 . 11 1 1 A 60 60 THR CB C 57 70.774 70.370 0.404 1
1 480 . 11 1 1 A 60 60 THR N N 57 108.910 114.421 -5.511 1
1 481 . 11 1 1 A 61 61 VAL H H 58 8.689 8.784 -0.095 1
1 482 . 11 1 1 A 61 61 VAL HA H 58 3.477 3.668 -0.191 1
1 490 . 11 1 1 A 61 61 VAL C C 58 178.541 177.481 1.060 1
1 491 . 11 1 1 A 61 61 VAL CA C 58 67.024 67.240 -0.216 1
1 492 . 11 1 1 A 61 61 VAL CB C 58 31.751 31.927 -0.176 1
1 495 . 11 1 1 A 61 61 VAL N N 58 121.313 122.854 -1.541 1
1 496 . 11 1 1 A 62 62 GLN H H 59 8.564 7.969 0.595 1
1 497 . 11 1 1 A 62 62 GLN HA H 59 4.062 4.003 0.059 1
1 502 . 11 1 1 A 62 62 GLN C C 59 178.871 178.426 0.445 1
1 503 . 11 1 1 A 62 62 GLN CA C 59 58.993 59.128 -0.135 1
1 504 . 11 1 1 A 62 62 GLN CB C 59 28.085 28.411 -0.326 1
1 506 . 11 1 1 A 62 62 GLN N N 59 119.395 119.407 -0.012 1
1 507 . 11 1 1 A 63 63 GLN H H 60 7.644 7.923 -0.279 1
1 508 . 11 1 1 A 63 63 GLN HA H 60 4.082 4.653 -0.571 1
1 513 . 11 1 1 A 63 63 GLN C C 60 179.023 178.308 0.715 1
1 514 . 11 1 1 A 63 63 GLN CA C 60 58.106 59.124 -1.018 1
1 515 . 11 1 1 A 63 63 GLN CB C 60 29.283 27.964 1.319 1
1 517 . 11 1 1 A 63 63 GLN N N 60 116.638 118.056 -1.418 1
1 518 . 11 1 1 A 64 64 CYS H H 61 8.543 8.497 0.046 1
1 519 . 11 1 1 A 64 64 CYS HA H 61 3.951 4.397 -0.446 1
1 522 . 11 1 1 A 64 64 CYS C C 61 176.171 176.235 -0.064 1
1 523 . 11 1 1 A 64 64 CYS CA C 61 64.735 58.897 5.838 1
1 524 . 11 1 1 A 64 64 CYS CB C 61 40.828 42.037 -1.209 1
1 525 . 11 1 1 A 64 64 CYS N N 61 118.614 118.301 0.313 1
1 526 . 11 1 1 A 65 65 ALA H H 62 7.791 7.963 -0.172 1
1 527 . 11 1 1 A 65 65 ALA HA H 62 4.021 4.040 -0.019 1
1 531 . 11 1 1 A 65 65 ALA C C 62 180.353 179.341 1.012 1
1 532 . 11 1 1 A 65 65 ALA CA C 62 55.249 55.205 0.044 1
1 533 . 11 1 1 A 65 65 ALA CB C 62 18.069 18.343 -0.274 1
1 534 . 11 1 1 A 65 65 ALA N N 62 119.479 122.911 -3.432 1
1 535 . 11 1 1 A 66 66 GLU H H 63 7.685 8.373 -0.688 1
1 536 . 11 1 1 A 66 66 GLU HA H 63 4.041 4.054 -0.013 1
1 541 . 11 1 1 A 66 66 GLU C C 63 179.701 179.103 0.598 1
1 542 . 11 1 1 A 66 66 GLU CA C 63 59.440 59.607 -0.167 1
1 543 . 11 1 1 A 66 66 GLU CB C 63 29.735 29.396 0.339 1
1 545 . 11 1 1 A 66 66 GLU N N 63 117.981 118.649 -0.668 1
1 546 . 11 1 1 A 67 67 VAL H H 64 7.795 8.199 -0.404 1
1 547 . 11 1 1 A 67 67 VAL HA H 64 3.826 4.420 -0.594 1
1 555 . 11 1 1 A 67 67 VAL C C 64 178.078 178.010 0.068 1
1 556 . 11 1 1 A 67 67 VAL CA C 64 66.262 65.876 0.386 1
1 557 . 11 1 1 A 67 67 VAL CB C 64 31.703 31.211 0.492 1
1 560 . 11 1 1 A 67 67 VAL N N 64 120.422 116.924 3.498 1
1 561 . 11 1 1 A 68 68 LEU H H 65 8.563 8.196 0.367 1
1 562 . 11 1 1 A 68 68 LEU HA H 65 3.897 3.956 -0.059 1
1 572 . 11 1 1 A 68 68 LEU C C 65 180.593 178.264 2.329 1
1 573 . 11 1 1 A 68 68 LEU CA C 65 58.495 58.730 -0.235 1
1 574 . 11 1 1 A 68 68 LEU CB C 65 41.633 41.444 0.189 1
1 578 . 11 1 1 A 68 68 LEU N N 65 119.314 125.239 -5.925 1
1 579 . 11 1 1 A 69 69 GLU H H 66 8.071 7.913 0.158 1
1 580 . 11 1 1 A 69 69 GLU HA H 66 3.947 4.044 -0.097 1
1 585 . 11 1 1 A 69 69 GLU C C 66 178.591 178.432 0.159 1
1 586 . 11 1 1 A 69 69 GLU CA C 66 59.727 59.109 0.618 1
1 587 . 11 1 1 A 69 69 GLU CB C 66 29.549 28.938 0.611 1
1 589 . 11 1 1 A 69 69 GLU N N 66 120.124 118.646 1.478 1
1 590 . 11 1 1 A 70 70 GLU H H 67 7.471 8.098 -0.627 1
1 591 . 11 1 1 A 70 70 GLU HA H 67 4.111 4.098 0.013 1
1 596 . 11 1 1 A 70 70 GLU C C 67 179.873 178.229 1.644 1
1 597 . 11 1 1 A 70 70 GLU CA C 67 59.439 59.244 0.195 1
1 598 . 11 1 1 A 70 70 GLU CB C 67 30.021 29.364 0.657 1
1 600 . 11 1 1 A 70 70 GLU N N 67 119.545 117.696 1.849 1
1 601 . 11 1 1 A 71 71 VAL H H 68 8.790 7.390 1.400 1
1 602 . 11 1 1 A 71 71 VAL HA H 68 4.137 3.857 0.280 1
1 610 . 11 1 1 A 71 71 VAL C C 68 178.818 178.505 0.313 1
1 611 . 11 1 1 A 71 71 VAL CA C 68 64.321 65.532 -1.211 1
1 612 . 11 1 1 A 71 71 VAL CB C 68 31.230 31.565 -0.335 1
1 615 . 11 1 1 A 71 71 VAL N N 68 111.497 116.706 -5.209 1
1 616 . 11 1 1 A 72 72 THR H H 69 8.231 8.262 -0.031 1
1 617 . 11 1 1 A 72 72 THR HA H 69 4.161 3.946 0.215 1
1 622 . 11 1 1 A 72 72 THR C C 69 177.502 176.876 0.626 1
1 623 . 11 1 1 A 72 72 THR CA C 69 66.179 66.329 -0.150 1
1 624 . 11 1 1 A 72 72 THR CB C 69 68.770 68.601 0.169 1
1 626 . 11 1 1 A 72 72 THR N N 69 118.078 116.938 1.140 1
1 627 . 11 1 1 A 73 73 ALA H H 70 7.177 8.353 -1.176 1
1 628 . 11 1 1 A 73 73 ALA HA H 70 4.139 4.161 -0.022 1
1 632 . 11 1 1 A 73 73 ALA C C 70 179.116 180.259 -1.143 1
1 633 . 11 1 1 A 73 73 ALA CA C 70 54.690 54.624 0.066 1
1 634 . 11 1 1 A 73 73 ALA CB C 70 18.039 18.376 -0.337 1
1 635 . 11 1 1 A 73 73 ALA N N 70 123.757 123.197 0.560 1
1 636 . 11 1 1 A 74 74 ILE H H 71 6.874 7.436 -0.562 1
1 637 . 11 1 1 A 74 74 ILE HA H 71 3.988 4.048 -0.060 1
1 647 . 11 1 1 A 74 74 ILE C C 71 176.201 176.046 0.155 1
1 648 . 11 1 1 A 74 74 ILE CA C 71 61.927 62.441 -0.514 1
1 649 . 11 1 1 A 74 74 ILE CB C 71 38.431 38.870 -0.439 1
1 653 . 11 1 1 A 74 74 ILE N N 71 113.131 115.517 -2.386 1
1 654 . 11 1 1 A 75 75 GLY H H 72 7.476 7.463 0.013 1
1 655 . 11 1 1 A 75 75 GLY HA2 H 72 3.663 3.894 -0.231 1
1 656 . 11 1 1 A 75 75 GLY HA3 H 72 4.166 3.980 0.186 1
1 657 . 11 1 1 A 75 75 GLY C C 72 174.832 173.797 1.035 1
1 658 . 11 1 1 A 75 75 GLY CA C 72 45.144 44.834 0.310 1
1 659 . 11 1 1 A 75 75 GLY N N 72 106.405 108.138 -1.733 1
1 660 . 11 1 1 A 76 76 TYR H H 73 7.340 8.059 -0.719 1
1 661 . 11 1 1 A 76 76 TYR HA H 73 5.184 4.696 0.488 1
1 668 . 11 1 1 A 76 76 TYR C C 73 173.889 174.035 -0.146 1
1 669 . 11 1 1 A 76 76 TYR CA C 73 52.922 55.897 -2.975 1
1 670 . 11 1 1 A 76 76 TYR CB C 73 36.723 38.677 -1.954 1
1 675 . 11 1 1 A 76 76 TYR N N 73 122.416 120.277 2.139 1
1 676 . 11 1 1 A 77 77 PRO HA H 74 4.394 4.346 0.048 1
1 683 . 11 1 1 A 77 77 PRO C C 74 175.722 176.142 -0.420 1
1 684 . 11 1 1 A 77 77 PRO CA C 74 63.242 63.029 0.213 1
1 685 . 11 1 1 A 77 77 PRO CB C 74 32.460 32.053 0.407 1
1 688 . 11 1 1 A 78 78 ALA H H 75 7.778 8.366 -0.588 1
1 689 . 11 1 1 A 78 78 ALA HA H 75 5.239 5.112 0.127 1
1 693 . 11 1 1 A 78 78 ALA C C 75 176.207 175.336 0.871 1
1 694 . 11 1 1 A 78 78 ALA CA C 75 51.422 50.411 1.011 1
1 695 . 11 1 1 A 78 78 ALA CB C 75 25.258 23.532 1.726 1
1 696 . 11 1 1 A 78 78 ALA N N 75 122.638 123.809 -1.171 1
1 697 . 11 1 1 A 79 79 LYS H H 76 9.213 9.056 0.157 1
1 698 . 11 1 1 A 79 79 LYS HA H 76 4.632 5.236 -0.604 1
1 707 . 11 1 1 A 79 79 LYS C C 76 173.669 175.452 -1.783 1
1 708 . 11 1 1 A 79 79 LYS CA C 76 55.912 54.611 1.301 1
1 709 . 11 1 1 A 79 79 LYS CB C 76 36.309 36.070 0.239 1
1 713 . 11 1 1 A 79 79 LYS N N 76 115.751 118.146 -2.395 1
1 714 . 11 1 1 A 80 80 CYS H H 77 8.602 8.644 -0.042 1
1 715 . 11 1 1 A 80 80 CYS HA H 77 5.535 6.010 -0.475 1
1 718 . 11 1 1 A 80 80 CYS C C 77 174.029 171.908 2.121 1
1 719 . 11 1 1 A 80 80 CYS CA C 77 56.029 55.945 0.084 1
1 720 . 11 1 1 A 80 80 CYS CB C 77 47.796 44.456 3.340 1
1 721 . 11 1 1 A 80 80 CYS N N 77 119.633 119.218 0.415 1
1 722 . 11 1 1 A 81 81 CYS H H 78 9.428 9.056 0.372 1
1 723 . 11 1 1 A 81 81 CYS HA H 78 5.391 5.260 0.131 1
1 726 . 11 1 1 A 81 81 CYS C C 78 173.980 171.831 2.149 1
1 727 . 11 1 1 A 81 81 CYS CA C 78 54.237 53.821 0.416 1
1 728 . 11 1 1 A 81 81 CYS CB C 78 47.557 47.014 0.543 1
1 729 . 11 1 1 A 81 81 CYS N N 78 120.091 123.892 -3.801 1
1 730 . 11 1 1 A 82 82 CYS H H 79 9.291 8.565 0.726 1
1 731 . 11 1 1 A 82 82 CYS HA H 79 5.134 5.302 -0.168 1
1 734 . 11 1 1 A 82 82 CYS C C 79 172.349 173.721 -1.372 1
1 735 . 11 1 1 A 82 82 CYS CA C 79 56.628 57.156 -0.528 1
1 736 . 11 1 1 A 82 82 CYS CB C 79 46.122 28.559 17.563 1
1 737 . 11 1 1 A 82 82 CYS N N 79 117.137 120.079 -2.942 1
1 738 . 11 1 1 A 83 83 GLU H H 80 7.283 8.728 -1.445 1
1 739 . 11 1 1 A 83 83 GLU HA H 80 4.625 4.874 -0.249 1
1 744 . 11 1 1 A 83 83 GLU C C 80 174.435 174.693 -0.258 1
1 745 . 11 1 1 A 83 83 GLU CA C 80 54.873 55.253 -0.380 1
1 746 . 11 1 1 A 83 83 GLU CB C 80 33.106 31.690 1.416 1
1 748 . 11 1 1 A 83 83 GLU N N 80 120.821 123.048 -2.227 1
1 749 . 11 1 1 A 84 84 ASP H H 81 8.433 8.780 -0.347 1
1 750 . 11 1 1 A 84 84 ASP HA H 81 4.956 4.442 0.514 1
1 753 . 11 1 1 A 84 84 ASP C C 81 178.149 176.707 1.442 1
1 754 . 11 1 1 A 84 84 ASP CA C 81 55.409 54.929 0.480 1
1 755 . 11 1 1 A 84 84 ASP CB C 81 40.817 40.877 -0.060 1
1 756 . 11 1 1 A 84 84 ASP N N 81 121.789 121.289 0.500 1
1 757 . 11 1 1 A 85 85 LEU H H 82 9.244 9.439 -0.195 1
1 758 . 11 1 1 A 85 85 LEU HA H 82 3.308 3.664 -0.356 1
1 765 . 11 1 1 A 85 85 LEU C C 82 176.858 176.771 0.087 1
1 766 . 11 1 1 A 85 85 LEU CA C 82 56.047 56.112 -0.065 1
1 767 . 11 1 1 A 85 85 LEU CB C 82 36.885 38.943 -2.058 1
1 770 . 11 1 1 A 85 85 LEU N N 82 114.422 118.066 -3.644 1
1 771 . 11 1 1 A 86 86 CYS H H 83 8.005 7.813 0.192 1
1 772 . 11 1 1 A 86 86 CYS HA H 83 4.547 4.429 0.118 1
1 775 . 11 1 1 A 86 86 CYS C C 83 174.632 174.867 -0.235 1
1 776 . 11 1 1 A 86 86 CYS CA C 83 57.206 59.372 -2.166 1
1 777 . 11 1 1 A 86 86 CYS CB C 83 47.155 41.903 5.252 1
1 778 . 11 1 1 A 86 86 CYS N N 83 112.558 116.914 -4.356 1
1 779 . 11 1 1 A 87 87 ASN H H 84 8.859 8.438 0.421 1
1 780 . 11 1 1 A 87 87 ASN HA H 84 4.526 4.911 -0.385 1
1 783 . 11 1 1 A 87 87 ASN C C 84 172.146 174.070 -1.924 1
1 784 . 11 1 1 A 87 87 ASN CA C 84 52.617 52.947 -0.330 1
1 785 . 11 1 1 A 87 87 ASN CB C 84 36.673 37.570 -0.897 1
1 786 . 11 1 1 A 87 87 ASN N N 84 119.985 114.828 5.157 1
1 787 . 11 1 1 A 88 88 ARG H H 85 7.353 8.533 -1.180 1
1 788 . 11 1 1 A 88 88 ARG HA H 85 3.734 4.770 -1.036 1
1 795 . 11 1 1 A 88 88 ARG C C 85 173.901 175.014 -1.113 1
1 796 . 11 1 1 A 88 88 ARG CA C 85 55.058 54.121 0.937 1
1 797 . 11 1 1 A 88 88 ARG CB C 85 31.857 33.732 -1.875 1
1 800 . 11 1 1 A 88 88 ARG N N 85 118.446 124.895 -6.449 1
1 801 . 11 1 1 A 89 89 SER H H 86 7.987 8.428 -0.441 1
1 802 . 11 1 1 A 89 89 SER HA H 86 3.689 4.112 -0.423 1
1 805 . 11 1 1 A 89 89 SER C C 86 174.342 175.057 -0.715 1
1 806 . 11 1 1 A 89 89 SER CA C 86 57.844 59.017 -1.173 1
1 807 . 11 1 1 A 89 89 SER CB C 86 63.504 63.440 0.064 1
1 808 . 11 1 1 A 89 89 SER N N 86 115.514 122.047 -6.533 1
1 809 . 11 1 1 A 90 90 GLU H H 87 8.461 9.202 -0.741 1
1 810 . 11 1 1 A 90 90 GLU HA H 87 4.125 3.998 0.127 1
1 815 . 11 1 1 A 90 90 GLU C C 87 175.632 176.970 -1.338 1
1 816 . 11 1 1 A 90 90 GLU CA C 87 56.799 59.497 -2.698 1
1 817 . 11 1 1 A 90 90 GLU CB C 87 30.049 30.108 -0.059 1
1 819 . 11 1 1 A 90 90 GLU N N 87 122.917 125.226 -2.309 1
1 16 . 12 1 1 A 22 22 ALA H H 19 8.052 8.814 -0.762 1
1 17 . 12 1 1 A 22 22 ALA HA H 19 4.191 4.403 -0.212 1
1 21 . 12 1 1 A 22 22 ALA C C 19 176.151 176.605 -0.454 1
1 22 . 12 1 1 A 22 22 ALA CA C 19 51.960 52.568 -0.608 1
1 23 . 12 1 1 A 22 22 ALA CB C 19 19.784 19.119 0.665 1
1 24 . 12 1 1 A 22 22 ALA N N 19 125.891 126.496 -0.605 1
1 25 . 12 1 1 A 23 23 LEU H H 20 8.117 8.365 -0.248 1
1 26 . 12 1 1 A 23 23 LEU HA H 20 4.273 4.964 -0.691 1
1 36 . 12 1 1 A 23 23 LEU C C 20 174.307 174.981 -0.674 1
1 37 . 12 1 1 A 23 23 LEU CA C 20 54.838 53.544 1.294 1
1 38 . 12 1 1 A 23 23 LEU CB C 20 44.574 44.413 0.161 1
1 42 . 12 1 1 A 23 23 LEU N N 20 125.488 126.246 -0.758 1
1 43 . 12 1 1 A 24 24 LYS H H 21 7.915 9.191 -1.276 1
1 44 . 12 1 1 A 24 24 LYS HA H 21 5.287 4.621 0.666 1
1 53 . 12 1 1 A 24 24 LYS C C 21 175.901 175.517 0.384 1
1 54 . 12 1 1 A 24 24 LYS CA C 21 54.174 56.075 -1.901 1
1 55 . 12 1 1 A 24 24 LYS CB C 21 34.841 32.728 2.113 1
1 59 . 12 1 1 A 24 24 LYS N N 21 122.369 125.903 -3.534 1
1 60 . 12 1 1 A 25 25 CYS H H 22 8.426 8.387 0.039 1
1 61 . 12 1 1 A 25 25 CYS HA H 22 4.886 5.269 -0.383 1
1 64 . 12 1 1 A 25 25 CYS C C 22 175.309 173.009 2.300 1
1 65 . 12 1 1 A 25 25 CYS CA C 22 51.680 55.070 -3.390 1
1 66 . 12 1 1 A 25 25 CYS CB C 22 41.829 46.063 -4.234 1
1 67 . 12 1 1 A 25 25 CYS N N 22 117.505 122.531 -5.026 1
1 68 . 12 1 1 A 26 26 PHE H H 23 8.960 9.444 -0.484 1
1 69 . 12 1 1 A 26 26 PHE HA H 23 5.057 5.079 -0.022 1
1 74 . 12 1 1 A 26 26 PHE C C 23 176.694 175.758 0.936 1
1 75 . 12 1 1 A 26 26 PHE CA C 23 60.302 57.547 2.755 1
1 76 . 12 1 1 A 26 26 PHE CB C 23 39.490 40.338 -0.848 1
1 79 . 12 1 1 A 26 26 PHE N N 23 120.038 121.765 -1.727 1
1 80 . 12 1 1 A 27 27 THR H H 24 9.071 8.935 0.136 1
1 81 . 12 1 1 A 27 27 THR HA H 24 4.960 4.947 0.013 1
1 86 . 12 1 1 A 27 27 THR C C 24 173.722 173.291 0.431 1
1 87 . 12 1 1 A 27 27 THR CA C 24 59.835 61.227 -1.392 1
1 88 . 12 1 1 A 27 27 THR CB C 24 71.382 71.644 -0.262 1
1 90 . 12 1 1 A 27 27 THR N N 24 114.266 116.533 -2.267 1
1 91 . 12 1 1 A 28 28 ARG H H 25 8.398 8.840 -0.442 1
1 92 . 12 1 1 A 28 28 ARG HA H 25 5.158 5.210 -0.052 1
1 99 . 12 1 1 A 28 28 ARG C C 25 175.547 175.415 0.132 1
1 100 . 12 1 1 A 28 28 ARG CA C 25 54.586 55.864 -1.278 1
1 101 . 12 1 1 A 28 28 ARG CB C 25 32.443 31.029 1.414 1
1 104 . 12 1 1 A 28 28 ARG N N 25 123.189 126.842 -3.653 1
1 105 . 12 1 1 A 29 29 ASN H H 26 8.589 8.398 0.191 1
1 106 . 12 1 1 A 29 29 ASN HA H 26 4.938 5.536 -0.598 1
1 109 . 12 1 1 A 29 29 ASN C C 26 175.273 175.983 -0.710 1
1 110 . 12 1 1 A 29 29 ASN CA C 26 52.276 52.054 0.222 1
1 111 . 12 1 1 A 29 29 ASN CB C 26 39.660 40.201 -0.541 1
1 112 . 12 1 1 A 29 29 ASN N N 26 125.242 123.335 1.907 1
1 113 . 12 1 1 A 30 30 GLY H H 27 9.046 9.025 0.021 1
1 114 . 12 1 1 A 30 30 GLY HA2 H 27 3.649 3.877 -0.228 1
1 115 . 12 1 1 A 30 30 GLY HA3 H 27 3.996 3.879 0.117 1
1 116 . 12 1 1 A 30 30 GLY C C 27 174.707 173.889 0.818 1
1 117 . 12 1 1 A 30 30 GLY CA C 27 46.906 47.294 -0.388 1
1 118 . 12 1 1 A 30 30 GLY N N 27 115.613 112.034 3.579 1
1 119 . 12 1 1 A 31 31 ASP H H 28 8.956 8.580 0.376 1
1 120 . 12 1 1 A 31 31 ASP HA H 28 4.648 4.958 -0.310 1
1 123 . 12 1 1 A 31 31 ASP C C 28 175.670 175.204 0.466 1
1 124 . 12 1 1 A 31 31 ASP CA C 28 54.939 55.434 -0.495 1
1 125 . 12 1 1 A 31 31 ASP CB C 28 41.505 43.611 -2.106 1
1 126 . 12 1 1 A 31 31 ASP N N 28 126.791 123.559 3.232 1
1 127 . 12 1 1 A 32 32 ASP H H 29 7.973 7.638 0.335 1
1 128 . 12 1 1 A 32 32 ASP HA H 29 4.778 4.662 0.116 1
1 131 . 12 1 1 A 32 32 ASP C C 29 174.871 175.972 -1.101 1
1 132 . 12 1 1 A 32 32 ASP CA C 29 54.192 53.401 0.791 1
1 133 . 12 1 1 A 32 32 ASP CB C 29 42.663 41.621 1.042 1
1 134 . 12 1 1 A 32 32 ASP N N 29 120.240 116.628 3.612 1
1 135 . 12 1 1 A 33 33 ARG H H 30 8.682 8.977 -0.295 1
1 136 . 12 1 1 A 33 33 ARG HA H 30 5.020 5.201 -0.181 1
1 143 . 12 1 1 A 33 33 ARG C C 30 175.569 175.208 0.361 1
1 144 . 12 1 1 A 33 33 ARG CA C 30 55.487 54.750 0.737 1
1 145 . 12 1 1 A 33 33 ARG CB C 30 31.962 32.257 -0.295 1
1 148 . 12 1 1 A 33 33 ARG N N 30 125.183 116.987 8.196 1
1 149 . 12 1 1 A 34 34 THR H H 31 8.976 8.990 -0.014 1
1 150 . 12 1 1 A 34 34 THR HA H 31 4.764 4.805 -0.041 1
1 155 . 12 1 1 A 34 34 THR C C 31 172.745 174.115 -1.370 1
1 156 . 12 1 1 A 34 34 THR CA C 31 59.891 61.737 -1.846 1
1 157 . 12 1 1 A 34 34 THR CB C 31 71.522 70.229 1.293 1
1 159 . 12 1 1 A 34 34 THR N N 31 120.162 120.278 -0.116 1
1 160 . 12 1 1 A 35 35 VAL H H 32 8.286 8.290 -0.004 1
1 161 . 12 1 1 A 35 35 VAL HA H 32 4.110 3.564 0.546 1
1 169 . 12 1 1 A 35 35 VAL C C 32 175.720 175.418 0.302 1
1 170 . 12 1 1 A 35 35 VAL CA C 32 62.838 62.927 -0.089 1
1 171 . 12 1 1 A 35 35 VAL CB C 32 32.883 30.839 2.044 1
1 174 . 12 1 1 A 35 35 VAL N N 32 122.209 126.609 -4.400 1
1 175 . 12 1 1 A 36 36 THR H H 33 8.749 8.325 0.424 1
1 176 . 12 1 1 A 36 36 THR HA H 33 4.486 5.087 -0.601 1
1 181 . 12 1 1 A 36 36 THR C C 33 173.029 173.035 -0.006 1
1 182 . 12 1 1 A 36 36 THR CA C 33 61.029 60.164 0.865 1
1 183 . 12 1 1 A 36 36 THR CB C 33 71.425 70.240 1.185 1
1 185 . 12 1 1 A 36 36 THR N N 33 125.259 118.756 6.503 1
1 186 . 12 1 1 A 37 37 THR H H 34 8.544 8.802 -0.258 1
1 187 . 12 1 1 A 37 37 THR HA H 34 4.371 4.504 -0.133 1
1 192 . 12 1 1 A 37 37 THR C C 34 173.839 174.098 -0.259 1
1 193 . 12 1 1 A 37 37 THR CA C 34 62.892 60.690 2.202 1
1 194 . 12 1 1 A 37 37 THR CB C 34 68.156 69.048 -0.892 1
1 196 . 12 1 1 A 37 37 THR N N 34 122.774 119.495 3.279 1
1 197 . 12 1 1 A 38 38 CYS H H 35 9.227 8.625 0.602 1
1 198 . 12 1 1 A 38 38 CYS HA H 35 4.516 4.762 -0.246 1
1 201 . 12 1 1 A 38 38 CYS C C 35 174.923 173.805 1.118 1
1 202 . 12 1 1 A 38 38 CYS CA C 35 52.962 55.389 -2.427 1
1 203 . 12 1 1 A 38 38 CYS CB C 35 37.439 44.486 -7.047 1
1 204 . 12 1 1 A 38 38 CYS N N 35 129.056 127.737 1.319 1
1 205 . 12 1 1 A 39 39 ALA H H 36 8.113 8.778 -0.665 1
1 206 . 12 1 1 A 39 39 ALA HA H 36 4.313 4.512 -0.199 1
1 210 . 12 1 1 A 39 39 ALA C C 36 178.809 178.439 0.370 1
1 211 . 12 1 1 A 39 39 ALA CA C 36 52.125 51.652 0.473 1
1 212 . 12 1 1 A 39 39 ALA CB C 36 19.235 20.310 -1.075 1
1 213 . 12 1 1 A 39 39 ALA N N 36 122.621 124.488 -1.867 1
1 214 . 12 1 1 A 40 40 GLU H H 37 8.701 8.980 -0.279 1
1 215 . 12 1 1 A 40 40 GLU HA H 37 3.826 3.945 -0.119 1
1 220 . 12 1 1 A 40 40 GLU C C 37 177.999 178.872 -0.873 1
1 221 . 12 1 1 A 40 40 GLU CA C 37 60.104 59.384 0.720 1
1 222 . 12 1 1 A 40 40 GLU CB C 37 29.712 29.242 0.470 1
1 224 . 12 1 1 A 40 40 GLU N N 37 120.905 119.188 1.717 1
1 225 . 12 1 1 A 41 41 GLU H H 38 8.870 8.033 0.837 1
1 226 . 12 1 1 A 41 41 GLU HA H 38 4.233 4.066 0.167 1
1 231 . 12 1 1 A 41 41 GLU C C 38 176.790 176.655 0.135 1
1 232 . 12 1 1 A 41 41 GLU CA C 38 57.438 59.263 -1.825 1
1 233 . 12 1 1 A 41 41 GLU CB C 38 28.813 29.386 -0.573 1
1 235 . 12 1 1 A 41 41 GLU N N 38 113.838 119.575 -5.737 1
1 236 . 12 1 1 A 42 42 GLN H H 39 7.935 7.901 0.034 1
1 237 . 12 1 1 A 42 42 GLN HA H 39 4.069 4.499 -0.430 1
1 242 . 12 1 1 A 42 42 GLN C C 39 174.033 175.908 -1.875 1
1 243 . 12 1 1 A 42 42 GLN CA C 39 55.177 55.160 0.017 1
1 244 . 12 1 1 A 42 42 GLN CB C 39 28.144 28.484 -0.340 1
1 246 . 12 1 1 A 42 42 GLN N N 39 120.919 118.633 2.286 1
1 247 . 12 1 1 A 43 43 THR H H 40 6.846 8.321 -1.475 1
1 248 . 12 1 1 A 43 43 THR HA H 40 4.340 4.571 -0.231 1
1 253 . 12 1 1 A 43 43 THR C C 40 175.221 173.872 1.349 1
1 254 . 12 1 1 A 43 43 THR CA C 40 60.677 61.481 -0.804 1
1 255 . 12 1 1 A 43 43 THR CB C 40 68.516 68.710 -0.194 1
1 257 . 12 1 1 A 43 43 THR N N 40 109.859 115.748 -5.889 1
1 258 . 12 1 1 A 44 44 ARG H H 41 8.496 7.519 0.977 1
1 259 . 12 1 1 A 44 44 ARG HA H 41 5.001 4.784 0.217 1
1 266 . 12 1 1 A 44 44 ARG C C 41 174.082 173.788 0.294 1
1 267 . 12 1 1 A 44 44 ARG CA C 41 52.838 55.222 -2.384 1
1 268 . 12 1 1 A 44 44 ARG CB C 41 34.466 33.727 0.739 1
1 271 . 12 1 1 A 44 44 ARG N N 41 122.000 121.452 0.548 1
1 272 . 12 1 1 A 45 45 CYS H H 42 8.814 8.978 -0.164 1
1 273 . 12 1 1 A 45 45 CYS HA H 42 5.566 5.223 0.343 1
1 276 . 12 1 1 A 45 45 CYS C C 42 173.806 171.503 2.303 1
1 277 . 12 1 1 A 45 45 CYS CA C 42 51.956 55.253 -3.297 1
1 278 . 12 1 1 A 45 45 CYS CB C 42 38.526 46.187 -7.661 1
1 279 . 12 1 1 A 45 45 CYS N N 42 115.378 120.405 -5.027 1
1 280 . 12 1 1 A 46 46 LEU H H 43 9.234 9.347 -0.113 1
1 281 . 12 1 1 A 46 46 LEU HA H 43 5.382 5.002 0.380 1
1 291 . 12 1 1 A 46 46 LEU C C 43 176.639 175.410 1.229 1
1 292 . 12 1 1 A 46 46 LEU CA C 43 53.739 53.867 -0.128 1
1 293 . 12 1 1 A 46 46 LEU CB C 43 46.024 44.103 1.921 1
1 297 . 12 1 1 A 46 46 LEU N N 43 122.940 128.272 -5.332 1
1 298 . 12 1 1 A 47 47 PHE H H 44 9.048 9.136 -0.088 1
1 299 . 12 1 1 A 47 47 PHE HA H 44 5.700 5.817 -0.117 1
1 306 . 12 1 1 A 47 47 PHE C C 44 173.708 173.599 0.109 1
1 307 . 12 1 1 A 47 47 PHE CA C 44 56.494 56.369 0.125 1
1 308 . 12 1 1 A 47 47 PHE CB C 44 44.246 41.967 2.279 1
1 313 . 12 1 1 A 47 47 PHE N N 44 128.522 127.800 0.722 1
1 314 . 12 1 1 A 48 48 VAL H H 45 8.086 8.963 -0.877 1
1 315 . 12 1 1 A 48 48 VAL HA H 45 4.234 4.404 -0.170 1
1 323 . 12 1 1 A 48 48 VAL C C 45 173.728 174.530 -0.802 1
1 324 . 12 1 1 A 48 48 VAL CA C 45 61.110 60.560 0.550 1
1 325 . 12 1 1 A 48 48 VAL CB C 45 36.121 33.600 2.521 1
1 328 . 12 1 1 A 48 48 VAL N N 45 124.455 127.303 -2.848 1
1 329 . 12 1 1 A 49 49 GLN H H 46 8.391 8.705 -0.314 1
1 330 . 12 1 1 A 49 49 GLN HA H 46 4.155 4.542 -0.387 1
1 335 . 12 1 1 A 49 49 GLN C C 46 174.214 175.305 -1.091 1
1 336 . 12 1 1 A 49 49 GLN CA C 46 54.491 55.049 -0.558 1
1 337 . 12 1 1 A 49 49 GLN CB C 46 29.986 29.316 0.670 1
1 339 . 12 1 1 A 49 49 GLN N N 46 126.537 125.477 1.060 1
1 340 . 12 1 1 A 50 50 LEU H H 47 7.646 8.239 -0.593 1
1 341 . 12 1 1 A 50 50 LEU HA H 47 3.856 4.807 -0.951 1
1 351 . 12 1 1 A 50 50 LEU C C 47 175.649 176.558 -0.909 1
1 352 . 12 1 1 A 50 50 LEU CA C 47 53.706 51.483 2.223 1
1 353 . 12 1 1 A 50 50 LEU CB C 47 39.821 44.557 -4.736 1
1 357 . 12 1 1 A 50 50 LEU N N 47 127.637 124.800 2.837 1
1 358 . 12 1 1 A 51 51 PRO HA H 48 3.921 4.288 -0.367 1
1 365 . 12 1 1 A 51 51 PRO C C 48 177.492 175.937 1.555 1
1 366 . 12 1 1 A 51 51 PRO CA C 48 65.923 64.387 1.536 1
1 367 . 12 1 1 A 51 51 PRO CB C 48 31.509 31.588 -0.079 1
1 370 . 12 1 1 A 52 52 TYR H H 49 7.517 7.922 -0.405 1
1 371 . 12 1 1 A 52 52 TYR HA H 49 4.790 4.828 -0.038 1
1 378 . 12 1 1 A 52 52 TYR C C 49 175.214 175.055 0.159 1
1 379 . 12 1 1 A 52 52 TYR CA C 49 55.767 57.584 -1.817 1
1 380 . 12 1 1 A 52 52 TYR CB C 49 39.277 40.328 -1.051 1
1 385 . 12 1 1 A 52 52 TYR N N 49 109.643 116.292 -6.649 1
1 386 . 12 1 1 A 53 53 SER H H 50 6.986 7.817 -0.831 1
1 387 . 12 1 1 A 53 53 SER HA H 50 4.409 4.850 -0.441 1
1 390 . 12 1 1 A 53 53 SER C C 50 171.925 172.582 -0.657 1
1 391 . 12 1 1 A 53 53 SER CA C 50 57.189 57.456 -0.267 1
1 392 . 12 1 1 A 53 53 SER CB C 50 63.786 67.107 -3.321 1
1 393 . 12 1 1 A 53 53 SER N N 50 112.994 113.854 -0.860 1
1 394 . 12 1 1 A 54 54 GLU H H 51 7.890 8.641 -0.751 1
1 395 . 12 1 1 A 54 54 GLU HA H 51 4.903 5.115 -0.212 1
1 400 . 12 1 1 A 54 54 GLU C C 51 175.536 174.819 0.717 1
1 401 . 12 1 1 A 54 54 GLU CA C 51 54.722 54.901 -0.179 1
1 402 . 12 1 1 A 54 54 GLU CB C 51 33.225 34.452 -1.227 1
1 404 . 12 1 1 A 54 54 GLU N N 51 115.330 119.551 -4.221 1
1 405 . 12 1 1 A 55 55 ILE H H 52 8.600 8.811 -0.211 1
1 406 . 12 1 1 A 55 55 ILE HA H 52 4.302 4.821 -0.519 1
1 416 . 12 1 1 A 55 55 ILE C C 52 175.783 175.712 0.071 1
1 417 . 12 1 1 A 55 55 ILE CA C 52 60.360 60.020 0.340 1
1 418 . 12 1 1 A 55 55 ILE CB C 52 39.228 39.719 -0.491 1
1 422 . 12 1 1 A 55 55 ILE N N 52 122.129 122.915 -0.786 1
1 423 . 12 1 1 A 56 56 GLN H H 53 8.573 8.911 -0.338 1
1 424 . 12 1 1 A 56 56 GLN HA H 53 5.394 5.570 -0.176 1
1 429 . 12 1 1 A 56 56 GLN C C 53 174.379 174.523 -0.144 1
1 430 . 12 1 1 A 56 56 GLN CA C 53 54.790 54.548 0.242 1
1 431 . 12 1 1 A 56 56 GLN CB C 53 33.315 32.428 0.887 1
1 433 . 12 1 1 A 56 56 GLN N N 53 126.768 125.603 1.165 1
1 434 . 12 1 1 A 57 57 GLU H H 54 7.782 8.838 -1.056 1
1 435 . 12 1 1 A 57 57 GLU HA H 54 4.967 4.947 0.020 1
1 440 . 12 1 1 A 57 57 GLU C C 54 176.345 174.566 1.779 1
1 441 . 12 1 1 A 57 57 GLU CA C 54 55.405 54.998 0.407 1
1 442 . 12 1 1 A 57 57 GLU CB C 54 36.080 32.870 3.210 1
1 444 . 12 1 1 A 57 57 GLU N N 54 117.990 120.567 -2.577 1
1 445 . 12 1 1 A 58 58 CYS H H 55 8.780 8.475 0.305 1
1 446 . 12 1 1 A 58 58 CYS HA H 55 5.145 5.073 0.072 1
1 449 . 12 1 1 A 58 58 CYS C C 55 175.293 173.938 1.355 1
1 450 . 12 1 1 A 58 58 CYS CA C 55 57.749 55.079 2.670 1
1 451 . 12 1 1 A 58 58 CYS CB C 55 45.523 43.033 2.490 1
1 452 . 12 1 1 A 58 58 CYS N N 55 119.662 119.459 0.203 1
1 453 . 12 1 1 A 59 59 LYS H H 56 9.277 8.467 0.810 1
1 454 . 12 1 1 A 59 59 LYS HA H 56 4.896 5.171 -0.275 1
1 463 . 12 1 1 A 59 59 LYS C C 56 176.049 176.455 -0.406 1
1 464 . 12 1 1 A 59 59 LYS CA C 56 53.903 54.439 -0.536 1
1 465 . 12 1 1 A 59 59 LYS CB C 56 40.637 35.715 4.922 1
1 469 . 12 1 1 A 59 59 LYS N N 56 120.535 125.436 -4.901 1
1 470 . 12 1 1 A 60 60 THR H H 57 7.997 8.786 -0.789 1
1 471 . 12 1 1 A 60 60 THR HA H 57 4.876 4.532 0.344 1
1 476 . 12 1 1 A 60 60 THR C C 57 175.637 176.492 -0.855 1
1 477 . 12 1 1 A 60 60 THR CA C 57 61.017 61.301 -0.284 1
1 478 . 12 1 1 A 60 60 THR CB C 57 70.774 71.090 -0.316 1
1 480 . 12 1 1 A 60 60 THR N N 57 108.910 113.874 -4.964 1
1 481 . 12 1 1 A 61 61 VAL H H 58 8.689 8.319 0.370 1
1 482 . 12 1 1 A 61 61 VAL HA H 58 3.477 3.632 -0.155 1
1 490 . 12 1 1 A 61 61 VAL C C 58 178.541 177.574 0.967 1
1 491 . 12 1 1 A 61 61 VAL CA C 58 67.024 67.069 -0.045 1
1 492 . 12 1 1 A 61 61 VAL CB C 58 31.751 31.607 0.144 1
1 495 . 12 1 1 A 61 61 VAL N N 58 121.313 122.537 -1.224 1
1 496 . 12 1 1 A 62 62 GLN H H 59 8.564 7.954 0.610 1
1 497 . 12 1 1 A 62 62 GLN HA H 59 4.062 4.001 0.061 1
1 502 . 12 1 1 A 62 62 GLN C C 59 178.871 178.622 0.249 1
1 503 . 12 1 1 A 62 62 GLN CA C 59 58.993 59.202 -0.209 1
1 504 . 12 1 1 A 62 62 GLN CB C 59 28.085 28.259 -0.174 1
1 506 . 12 1 1 A 62 62 GLN N N 59 119.395 119.395 0.000 1
1 507 . 12 1 1 A 63 63 GLN H H 60 7.644 8.398 -0.754 1
1 508 . 12 1 1 A 63 63 GLN HA H 60 4.082 4.602 -0.520 1
1 513 . 12 1 1 A 63 63 GLN C C 60 179.023 178.036 0.987 1
1 514 . 12 1 1 A 63 63 GLN CA C 60 58.106 58.895 -0.789 1
1 515 . 12 1 1 A 63 63 GLN CB C 60 29.283 28.392 0.891 1
1 517 . 12 1 1 A 63 63 GLN N N 60 116.638 118.303 -1.665 1
1 518 . 12 1 1 A 64 64 CYS H H 61 8.543 8.222 0.321 1
1 519 . 12 1 1 A 64 64 CYS HA H 61 3.951 4.373 -0.422 1
1 522 . 12 1 1 A 64 64 CYS C C 61 176.171 176.149 0.022 1
1 523 . 12 1 1 A 64 64 CYS CA C 61 64.735 58.932 5.803 1
1 524 . 12 1 1 A 64 64 CYS CB C 61 40.828 41.996 -1.168 1
1 525 . 12 1 1 A 64 64 CYS N N 61 118.614 117.071 1.543 1
1 526 . 12 1 1 A 65 65 ALA H H 62 7.791 7.715 0.076 1
1 527 . 12 1 1 A 65 65 ALA HA H 62 4.021 3.994 0.027 1
1 531 . 12 1 1 A 65 65 ALA C C 62 180.353 179.454 0.899 1
1 532 . 12 1 1 A 65 65 ALA CA C 62 55.249 55.257 -0.008 1
1 533 . 12 1 1 A 65 65 ALA CB C 62 18.069 17.966 0.103 1
1 534 . 12 1 1 A 65 65 ALA N N 62 119.479 123.192 -3.713 1
1 535 . 12 1 1 A 66 66 GLU H H 63 7.685 8.073 -0.388 1
1 536 . 12 1 1 A 66 66 GLU HA H 63 4.041 4.059 -0.018 1
1 541 . 12 1 1 A 66 66 GLU C C 63 179.701 178.988 0.713 1
1 542 . 12 1 1 A 66 66 GLU CA C 63 59.440 59.560 -0.120 1
1 543 . 12 1 1 A 66 66 GLU CB C 63 29.735 29.323 0.412 1
1 545 . 12 1 1 A 66 66 GLU N N 63 117.981 118.635 -0.654 1
1 546 . 12 1 1 A 67 67 VAL H H 64 7.795 8.232 -0.437 1
1 547 . 12 1 1 A 67 67 VAL HA H 64 3.826 4.503 -0.677 1
1 555 . 12 1 1 A 67 67 VAL C C 64 178.078 178.008 0.070 1
1 556 . 12 1 1 A 67 67 VAL CA C 64 66.262 65.816 0.446 1
1 557 . 12 1 1 A 67 67 VAL CB C 64 31.703 31.246 0.457 1
1 560 . 12 1 1 A 67 67 VAL N N 64 120.422 116.718 3.704 1
1 561 . 12 1 1 A 68 68 LEU H H 65 8.563 8.109 0.454 1
1 562 . 12 1 1 A 68 68 LEU HA H 65 3.897 3.949 -0.052 1
1 572 . 12 1 1 A 68 68 LEU C C 65 180.593 178.327 2.266 1
1 573 . 12 1 1 A 68 68 LEU CA C 65 58.495 58.742 -0.247 1
1 574 . 12 1 1 A 68 68 LEU CB C 65 41.633 41.542 0.091 1
1 578 . 12 1 1 A 68 68 LEU N N 65 119.314 125.172 -5.858 1
1 579 . 12 1 1 A 69 69 GLU H H 66 8.071 7.856 0.215 1
1 580 . 12 1 1 A 69 69 GLU HA H 66 3.947 4.018 -0.071 1
1 585 . 12 1 1 A 69 69 GLU C C 66 178.591 178.428 0.163 1
1 586 . 12 1 1 A 69 69 GLU CA C 66 59.727 59.113 0.614 1
1 587 . 12 1 1 A 69 69 GLU CB C 66 29.549 29.060 0.489 1
1 589 . 12 1 1 A 69 69 GLU N N 66 120.124 118.680 1.444 1
1 590 . 12 1 1 A 70 70 GLU H H 67 7.471 8.029 -0.558 1
1 591 . 12 1 1 A 70 70 GLU HA H 67 4.111 4.092 0.019 1
1 596 . 12 1 1 A 70 70 GLU C C 67 179.873 178.247 1.626 1
1 597 . 12 1 1 A 70 70 GLU CA C 67 59.439 59.240 0.199 1
1 598 . 12 1 1 A 70 70 GLU CB C 67 30.021 29.292 0.729 1
1 600 . 12 1 1 A 70 70 GLU N N 67 119.545 117.687 1.858 1
1 601 . 12 1 1 A 71 71 VAL H H 68 8.790 7.455 1.335 1
1 602 . 12 1 1 A 71 71 VAL HA H 68 4.137 3.912 0.225 1
1 610 . 12 1 1 A 71 71 VAL C C 68 178.818 178.542 0.276 1
1 611 . 12 1 1 A 71 71 VAL CA C 68 64.321 65.579 -1.258 1
1 612 . 12 1 1 A 71 71 VAL CB C 68 31.230 31.570 -0.340 1
1 615 . 12 1 1 A 71 71 VAL N N 68 111.497 116.430 -4.933 1
1 616 . 12 1 1 A 72 72 THR H H 69 8.231 8.195 0.036 1
1 617 . 12 1 1 A 72 72 THR HA H 69 4.161 4.186 -0.025 1
1 622 . 12 1 1 A 72 72 THR C C 69 177.502 176.296 1.206 1
1 623 . 12 1 1 A 72 72 THR CA C 69 66.179 66.061 0.118 1
1 624 . 12 1 1 A 72 72 THR CB C 69 68.770 68.688 0.082 1
1 626 . 12 1 1 A 72 72 THR N N 69 118.078 116.848 1.230 1
1 627 . 12 1 1 A 73 73 ALA H H 70 7.177 8.455 -1.278 1
1 628 . 12 1 1 A 73 73 ALA HA H 70 4.139 4.144 -0.005 1
1 632 . 12 1 1 A 73 73 ALA C C 70 179.116 178.508 0.608 1
1 633 . 12 1 1 A 73 73 ALA CA C 70 54.690 54.461 0.229 1
1 634 . 12 1 1 A 73 73 ALA CB C 70 18.039 18.297 -0.258 1
1 635 . 12 1 1 A 73 73 ALA N N 70 123.757 123.071 0.686 1
1 636 . 12 1 1 A 74 74 ILE H H 71 6.874 7.342 -0.468 1
1 637 . 12 1 1 A 74 74 ILE HA H 71 3.988 4.109 -0.121 1
1 647 . 12 1 1 A 74 74 ILE C C 71 176.201 175.993 0.208 1
1 648 . 12 1 1 A 74 74 ILE CA C 71 61.927 61.564 0.363 1
1 649 . 12 1 1 A 74 74 ILE CB C 71 38.431 38.453 -0.022 1
1 653 . 12 1 1 A 74 74 ILE N N 71 113.131 115.320 -2.189 1
1 654 . 12 1 1 A 75 75 GLY H H 72 7.476 7.724 -0.248 1
1 655 . 12 1 1 A 75 75 GLY HA2 H 72 3.663 3.794 -0.131 1
1 656 . 12 1 1 A 75 75 GLY HA3 H 72 4.166 3.904 0.262 1
1 657 . 12 1 1 A 75 75 GLY C C 72 174.832 173.798 1.034 1
1 658 . 12 1 1 A 75 75 GLY CA C 72 45.144 44.867 0.277 1
1 659 . 12 1 1 A 75 75 GLY N N 72 106.405 108.207 -1.802 1
1 660 . 12 1 1 A 76 76 TYR H H 73 7.340 7.850 -0.510 1
1 661 . 12 1 1 A 76 76 TYR HA H 73 5.184 4.621 0.563 1
1 668 . 12 1 1 A 76 76 TYR C C 73 173.889 174.223 -0.334 1
1 669 . 12 1 1 A 76 76 TYR CA C 73 52.922 55.646 -2.724 1
1 670 . 12 1 1 A 76 76 TYR CB C 73 36.723 39.370 -2.647 1
1 675 . 12 1 1 A 76 76 TYR N N 73 122.416 119.787 2.629 1
1 676 . 12 1 1 A 77 77 PRO HA H 74 4.394 4.499 -0.105 1
1 683 . 12 1 1 A 77 77 PRO C C 74 175.722 176.166 -0.444 1
1 684 . 12 1 1 A 77 77 PRO CA C 74 63.242 63.015 0.227 1
1 685 . 12 1 1 A 77 77 PRO CB C 74 32.460 31.853 0.607 1
1 688 . 12 1 1 A 78 78 ALA H H 75 7.778 8.455 -0.677 1
1 689 . 12 1 1 A 78 78 ALA HA H 75 5.239 5.042 0.197 1
1 693 . 12 1 1 A 78 78 ALA C C 75 176.207 175.616 0.591 1
1 694 . 12 1 1 A 78 78 ALA CA C 75 51.422 50.628 0.794 1
1 695 . 12 1 1 A 78 78 ALA CB C 75 25.258 23.935 1.323 1
1 696 . 12 1 1 A 78 78 ALA N N 75 122.638 124.810 -2.172 1
1 697 . 12 1 1 A 79 79 LYS H H 76 9.213 9.279 -0.066 1
1 698 . 12 1 1 A 79 79 LYS HA H 76 4.632 5.044 -0.412 1
1 707 . 12 1 1 A 79 79 LYS C C 76 173.669 175.170 -1.501 1
1 708 . 12 1 1 A 79 79 LYS CA C 76 55.912 54.526 1.386 1
1 709 . 12 1 1 A 79 79 LYS CB C 76 36.309 35.883 0.426 1
1 713 . 12 1 1 A 79 79 LYS N N 76 115.751 115.940 -0.189 1
1 714 . 12 1 1 A 80 80 CYS H H 77 8.602 9.126 -0.524 1
1 715 . 12 1 1 A 80 80 CYS HA H 77 5.535 6.089 -0.554 1
1 718 . 12 1 1 A 80 80 CYS C C 77 174.029 172.510 1.519 1
1 719 . 12 1 1 A 80 80 CYS CA C 77 56.029 55.162 0.867 1
1 720 . 12 1 1 A 80 80 CYS CB C 77 47.796 44.571 3.225 1
1 721 . 12 1 1 A 80 80 CYS N N 77 119.633 117.568 2.065 1
1 722 . 12 1 1 A 81 81 CYS H H 78 9.428 9.137 0.291 1
1 723 . 12 1 1 A 81 81 CYS HA H 78 5.391 5.570 -0.179 1
1 726 . 12 1 1 A 81 81 CYS C C 78 173.980 172.768 1.212 1
1 727 . 12 1 1 A 81 81 CYS CA C 78 54.237 53.740 0.497 1
1 728 . 12 1 1 A 81 81 CYS CB C 78 47.557 45.609 1.948 1
1 729 . 12 1 1 A 81 81 CYS N N 78 120.091 122.358 -2.267 1
1 730 . 12 1 1 A 82 82 CYS H H 79 9.291 8.767 0.524 1
1 731 . 12 1 1 A 82 82 CYS HA H 79 5.134 5.317 -0.183 1
1 734 . 12 1 1 A 82 82 CYS C C 79 172.349 174.005 -1.656 1
1 735 . 12 1 1 A 82 82 CYS CA C 79 56.628 57.180 -0.552 1
1 736 . 12 1 1 A 82 82 CYS CB C 79 46.122 28.452 17.670 1
1 737 . 12 1 1 A 82 82 CYS N N 79 117.137 121.050 -3.913 1
1 738 . 12 1 1 A 83 83 GLU H H 80 7.283 8.479 -1.196 1
1 739 . 12 1 1 A 83 83 GLU HA H 80 4.625 4.667 -0.042 1
1 744 . 12 1 1 A 83 83 GLU C C 80 174.435 174.476 -0.041 1
1 745 . 12 1 1 A 83 83 GLU CA C 80 54.873 56.143 -1.270 1
1 746 . 12 1 1 A 83 83 GLU CB C 80 33.106 33.810 -0.704 1
1 748 . 12 1 1 A 83 83 GLU N N 80 120.821 123.465 -2.644 1
1 749 . 12 1 1 A 84 84 ASP H H 81 8.433 8.711 -0.278 1
1 750 . 12 1 1 A 84 84 ASP HA H 81 4.956 4.404 0.552 1
1 753 . 12 1 1 A 84 84 ASP C C 81 178.149 176.849 1.300 1
1 754 . 12 1 1 A 84 84 ASP CA C 81 55.409 55.270 0.139 1
1 755 . 12 1 1 A 84 84 ASP CB C 81 40.817 41.011 -0.194 1
1 756 . 12 1 1 A 84 84 ASP N N 81 121.789 124.752 -2.963 1
1 757 . 12 1 1 A 85 85 LEU H H 82 9.244 8.889 0.355 1
1 758 . 12 1 1 A 85 85 LEU HA H 82 3.308 4.249 -0.941 1
1 765 . 12 1 1 A 85 85 LEU C C 82 176.858 177.173 -0.315 1
1 766 . 12 1 1 A 85 85 LEU CA C 82 56.047 56.624 -0.577 1
1 767 . 12 1 1 A 85 85 LEU CB C 82 36.885 39.931 -3.046 1
1 770 . 12 1 1 A 85 85 LEU N N 82 114.422 117.419 -2.997 1
1 771 . 12 1 1 A 86 86 CYS H H 83 8.005 7.934 0.071 1
1 772 . 12 1 1 A 86 86 CYS HA H 83 4.547 4.350 0.197 1
1 775 . 12 1 1 A 86 86 CYS C C 83 174.632 175.364 -0.732 1
1 776 . 12 1 1 A 86 86 CYS CA C 83 57.206 59.203 -1.997 1
1 777 . 12 1 1 A 86 86 CYS CB C 83 47.155 42.051 5.104 1
1 778 . 12 1 1 A 86 86 CYS N N 83 112.558 116.023 -3.465 1
1 779 . 12 1 1 A 87 87 ASN H H 84 8.859 8.426 0.433 1
1 780 . 12 1 1 A 87 87 ASN HA H 84 4.526 4.523 0.003 1
1 783 . 12 1 1 A 87 87 ASN C C 84 172.146 176.193 -4.047 1
1 784 . 12 1 1 A 87 87 ASN CA C 84 52.617 53.202 -0.585 1
1 785 . 12 1 1 A 87 87 ASN CB C 84 36.673 37.077 -0.404 1
1 786 . 12 1 1 A 87 87 ASN N N 84 119.985 117.069 2.916 1
1 787 . 12 1 1 A 88 88 ARG H H 85 7.353 7.775 -0.422 1
1 788 . 12 1 1 A 88 88 ARG HA H 85 3.734 3.821 -0.087 1
1 795 . 12 1 1 A 88 88 ARG C C 85 173.901 175.385 -1.484 1
1 796 . 12 1 1 A 88 88 ARG CA C 85 55.058 56.966 -1.908 1
1 797 . 12 1 1 A 88 88 ARG CB C 85 31.857 30.945 0.912 1
1 800 . 12 1 1 A 88 88 ARG N N 85 118.446 119.631 -1.185 1
1 801 . 12 1 1 A 89 89 SER H H 86 7.987 7.615 0.372 1
1 802 . 12 1 1 A 89 89 SER HA H 86 3.689 4.319 -0.630 1
1 805 . 12 1 1 A 89 89 SER C C 86 174.342 174.068 0.274 1
1 806 . 12 1 1 A 89 89 SER CA C 86 57.844 57.219 0.625 1
1 807 . 12 1 1 A 89 89 SER CB C 86 63.504 65.591 -2.087 1
1 808 . 12 1 1 A 89 89 SER N N 86 115.514 108.539 6.975 1
1 809 . 12 1 1 A 90 90 GLU H H 87 8.461 8.848 -0.387 1
1 810 . 12 1 1 A 90 90 GLU HA H 87 4.125 4.233 -0.108 1
1 815 . 12 1 1 A 90 90 GLU C C 87 175.632 176.664 -1.032 1
1 816 . 12 1 1 A 90 90 GLU CA C 87 56.799 57.648 -0.849 1
1 817 . 12 1 1 A 90 90 GLU CB C 87 30.049 30.735 -0.686 1
1 819 . 12 1 1 A 90 90 GLU N N 87 122.917 122.223 0.694 1
1 16 . 13 1 1 A 22 22 ALA H H 19 8.052 8.758 -0.706 1
1 17 . 13 1 1 A 22 22 ALA HA H 19 4.191 4.357 -0.166 1
1 21 . 13 1 1 A 22 22 ALA C C 19 176.151 176.702 -0.551 1
1 22 . 13 1 1 A 22 22 ALA CA C 19 51.960 52.348 -0.388 1
1 23 . 13 1 1 A 22 22 ALA CB C 19 19.784 19.097 0.687 1
1 24 . 13 1 1 A 22 22 ALA N N 19 125.891 129.728 -3.837 1
1 25 . 13 1 1 A 23 23 LEU H H 20 8.117 8.866 -0.749 1
1 26 . 13 1 1 A 23 23 LEU HA H 20 4.273 5.157 -0.884 1
1 36 . 13 1 1 A 23 23 LEU C C 20 174.307 174.655 -0.348 1
1 37 . 13 1 1 A 23 23 LEU CA C 20 54.838 53.496 1.342 1
1 38 . 13 1 1 A 23 23 LEU CB C 20 44.574 46.184 -1.610 1
1 42 . 13 1 1 A 23 23 LEU N N 20 125.488 125.063 0.425 1
1 43 . 13 1 1 A 24 24 LYS H H 21 7.915 8.520 -0.605 1
1 44 . 13 1 1 A 24 24 LYS HA H 21 5.287 5.173 0.114 1
1 53 . 13 1 1 A 24 24 LYS C C 21 175.901 175.578 0.323 1
1 54 . 13 1 1 A 24 24 LYS CA C 21 54.174 54.968 -0.794 1
1 55 . 13 1 1 A 24 24 LYS CB C 21 34.841 33.593 1.248 1
1 59 . 13 1 1 A 24 24 LYS N N 21 122.369 123.676 -1.307 1
1 60 . 13 1 1 A 25 25 CYS H H 22 8.426 8.526 -0.100 1
1 61 . 13 1 1 A 25 25 CYS HA H 22 4.886 5.146 -0.260 1
1 64 . 13 1 1 A 25 25 CYS C C 22 175.309 173.171 2.138 1
1 65 . 13 1 1 A 25 25 CYS CA C 22 51.680 55.103 -3.423 1
1 66 . 13 1 1 A 25 25 CYS CB C 22 41.829 45.051 -3.222 1
1 67 . 13 1 1 A 25 25 CYS N N 22 117.505 122.691 -5.186 1
1 68 . 13 1 1 A 26 26 PHE H H 23 8.960 8.712 0.248 1
1 69 . 13 1 1 A 26 26 PHE HA H 23 5.057 4.731 0.326 1
1 74 . 13 1 1 A 26 26 PHE C C 23 176.694 175.867 0.827 1
1 75 . 13 1 1 A 26 26 PHE CA C 23 60.302 58.350 1.952 1
1 76 . 13 1 1 A 26 26 PHE CB C 23 39.490 40.273 -0.783 1
1 79 . 13 1 1 A 26 26 PHE N N 23 120.038 122.126 -2.088 1
1 80 . 13 1 1 A 27 27 THR H H 24 9.071 8.638 0.433 1
1 81 . 13 1 1 A 27 27 THR HA H 24 4.960 5.120 -0.160 1
1 86 . 13 1 1 A 27 27 THR C C 24 173.722 173.197 0.525 1
1 87 . 13 1 1 A 27 27 THR CA C 24 59.835 61.246 -1.411 1
1 88 . 13 1 1 A 27 27 THR CB C 24 71.382 71.849 -0.467 1
1 90 . 13 1 1 A 27 27 THR N N 24 114.266 117.151 -2.885 1
1 91 . 13 1 1 A 28 28 ARG H H 25 8.398 8.371 0.027 1
1 92 . 13 1 1 A 28 28 ARG HA H 25 5.158 4.720 0.438 1
1 99 . 13 1 1 A 28 28 ARG C C 25 175.547 175.881 -0.334 1
1 100 . 13 1 1 A 28 28 ARG CA C 25 54.586 56.029 -1.443 1
1 101 . 13 1 1 A 28 28 ARG CB C 25 32.443 30.968 1.475 1
1 104 . 13 1 1 A 28 28 ARG N N 25 123.189 126.706 -3.517 1
1 105 . 13 1 1 A 29 29 ASN H H 26 8.589 8.265 0.324 1
1 106 . 13 1 1 A 29 29 ASN HA H 26 4.938 5.389 -0.451 1
1 109 . 13 1 1 A 29 29 ASN C C 26 175.273 175.726 -0.453 1
1 110 . 13 1 1 A 29 29 ASN CA C 26 52.276 51.596 0.680 1
1 111 . 13 1 1 A 29 29 ASN CB C 26 39.660 42.169 -2.509 1
1 112 . 13 1 1 A 29 29 ASN N N 26 125.242 122.480 2.762 1
1 113 . 13 1 1 A 30 30 GLY H H 27 9.046 8.897 0.149 1
1 114 . 13 1 1 A 30 30 GLY HA2 H 27 3.649 3.893 -0.244 1
1 115 . 13 1 1 A 30 30 GLY HA3 H 27 3.996 3.894 0.102 1
1 116 . 13 1 1 A 30 30 GLY C C 27 174.707 173.454 1.253 1
1 117 . 13 1 1 A 30 30 GLY CA C 27 46.906 47.088 -0.182 1
1 118 . 13 1 1 A 30 30 GLY N N 27 115.613 110.294 5.319 1
1 119 . 13 1 1 A 31 31 ASP H H 28 8.956 8.447 0.509 1
1 120 . 13 1 1 A 31 31 ASP HA H 28 4.648 4.933 -0.285 1
1 123 . 13 1 1 A 31 31 ASP C C 28 175.670 174.789 0.881 1
1 124 . 13 1 1 A 31 31 ASP CA C 28 54.939 55.299 -0.360 1
1 125 . 13 1 1 A 31 31 ASP CB C 28 41.505 41.813 -0.308 1
1 126 . 13 1 1 A 31 31 ASP N N 28 126.791 122.534 4.257 1
1 127 . 13 1 1 A 32 32 ASP H H 29 7.973 8.172 -0.199 1
1 128 . 13 1 1 A 32 32 ASP HA H 29 4.778 4.665 0.113 1
1 131 . 13 1 1 A 32 32 ASP C C 29 174.871 176.059 -1.188 1
1 132 . 13 1 1 A 32 32 ASP CA C 29 54.192 52.778 1.414 1
1 133 . 13 1 1 A 32 32 ASP CB C 29 42.663 42.538 0.125 1
1 134 . 13 1 1 A 32 32 ASP N N 29 120.240 120.192 0.048 1
1 135 . 13 1 1 A 33 33 ARG H H 30 8.682 8.468 0.214 1
1 136 . 13 1 1 A 33 33 ARG HA H 30 5.020 4.921 0.099 1
1 143 . 13 1 1 A 33 33 ARG C C 30 175.569 175.163 0.406 1
1 144 . 13 1 1 A 33 33 ARG CA C 30 55.487 56.180 -0.693 1
1 145 . 13 1 1 A 33 33 ARG CB C 30 31.962 30.788 1.174 1
1 148 . 13 1 1 A 33 33 ARG N N 30 125.183 121.961 3.222 1
1 149 . 13 1 1 A 34 34 THR H H 31 8.976 8.376 0.600 1
1 150 . 13 1 1 A 34 34 THR HA H 31 4.764 5.063 -0.299 1
1 155 . 13 1 1 A 34 34 THR C C 31 172.745 173.378 -0.633 1
1 156 . 13 1 1 A 34 34 THR CA C 31 59.891 59.464 0.427 1
1 157 . 13 1 1 A 34 34 THR CB C 31 71.522 71.818 -0.296 1
1 159 . 13 1 1 A 34 34 THR N N 31 120.162 115.936 4.226 1
1 160 . 13 1 1 A 35 35 VAL H H 32 8.286 8.842 -0.556 1
1 161 . 13 1 1 A 35 35 VAL HA H 32 4.110 4.235 -0.125 1
1 169 . 13 1 1 A 35 35 VAL C C 32 175.720 175.424 0.296 1
1 170 . 13 1 1 A 35 35 VAL CA C 32 62.838 63.579 -0.741 1
1 171 . 13 1 1 A 35 35 VAL CB C 32 32.883 31.201 1.682 1
1 174 . 13 1 1 A 35 35 VAL N N 32 122.209 125.387 -3.178 1
1 175 . 13 1 1 A 36 36 THR H H 33 8.749 8.330 0.419 1
1 176 . 13 1 1 A 36 36 THR HA H 33 4.486 5.342 -0.856 1
1 181 . 13 1 1 A 36 36 THR C C 33 173.029 172.592 0.437 1
1 182 . 13 1 1 A 36 36 THR CA C 33 61.029 59.248 1.781 1
1 183 . 13 1 1 A 36 36 THR CB C 33 71.425 71.449 -0.024 1
1 185 . 13 1 1 A 36 36 THR N N 33 125.259 118.473 6.786 1
1 186 . 13 1 1 A 37 37 THR H H 34 8.544 9.056 -0.512 1
1 187 . 13 1 1 A 37 37 THR HA H 34 4.371 5.025 -0.654 1
1 192 . 13 1 1 A 37 37 THR C C 34 173.839 174.124 -0.285 1
1 193 . 13 1 1 A 37 37 THR CA C 34 62.892 60.618 2.274 1
1 194 . 13 1 1 A 37 37 THR CB C 34 68.156 70.469 -2.313 1
1 196 . 13 1 1 A 37 37 THR N N 34 122.774 118.343 4.431 1
1 197 . 13 1 1 A 38 38 CYS H H 35 9.227 9.512 -0.285 1
1 198 . 13 1 1 A 38 38 CYS HA H 35 4.516 4.939 -0.423 1
1 201 . 13 1 1 A 38 38 CYS C C 35 174.923 174.152 0.771 1
1 202 . 13 1 1 A 38 38 CYS CA C 35 52.962 54.634 -1.672 1
1 203 . 13 1 1 A 38 38 CYS CB C 35 37.439 44.318 -6.879 1
1 204 . 13 1 1 A 38 38 CYS N N 35 129.056 127.113 1.943 1
1 205 . 13 1 1 A 39 39 ALA H H 36 8.113 8.783 -0.670 1
1 206 . 13 1 1 A 39 39 ALA HA H 36 4.313 4.557 -0.244 1
1 210 . 13 1 1 A 39 39 ALA C C 36 178.809 178.803 0.006 1
1 211 . 13 1 1 A 39 39 ALA CA C 36 52.125 51.164 0.961 1
1 212 . 13 1 1 A 39 39 ALA CB C 36 19.235 19.894 -0.659 1
1 213 . 13 1 1 A 39 39 ALA N N 36 122.621 123.895 -1.274 1
1 214 . 13 1 1 A 40 40 GLU H H 37 8.701 8.760 -0.059 1
1 215 . 13 1 1 A 40 40 GLU HA H 37 3.826 3.983 -0.157 1
1 220 . 13 1 1 A 40 40 GLU C C 37 177.999 178.051 -0.052 1
1 221 . 13 1 1 A 40 40 GLU CA C 37 60.104 59.756 0.348 1
1 222 . 13 1 1 A 40 40 GLU CB C 37 29.712 29.297 0.415 1
1 224 . 13 1 1 A 40 40 GLU N N 37 120.905 117.481 3.424 1
1 225 . 13 1 1 A 41 41 GLU H H 38 8.870 8.618 0.252 1
1 226 . 13 1 1 A 41 41 GLU HA H 38 4.233 4.211 0.022 1
1 231 . 13 1 1 A 41 41 GLU C C 38 176.790 176.757 0.033 1
1 232 . 13 1 1 A 41 41 GLU CA C 38 57.438 58.371 -0.933 1
1 233 . 13 1 1 A 41 41 GLU CB C 38 28.813 28.598 0.215 1
1 235 . 13 1 1 A 41 41 GLU N N 38 113.838 116.312 -2.474 1
1 236 . 13 1 1 A 42 42 GLN H H 39 7.935 7.703 0.232 1
1 237 . 13 1 1 A 42 42 GLN HA H 39 4.069 4.566 -0.497 1
1 242 . 13 1 1 A 42 42 GLN C C 39 174.033 176.074 -2.041 1
1 243 . 13 1 1 A 42 42 GLN CA C 39 55.177 55.371 -0.194 1
1 244 . 13 1 1 A 42 42 GLN CB C 39 28.144 28.953 -0.809 1
1 246 . 13 1 1 A 42 42 GLN N N 39 120.919 120.409 0.510 1
1 247 . 13 1 1 A 43 43 THR H H 40 6.846 8.638 -1.792 1
1 248 . 13 1 1 A 43 43 THR HA H 40 4.340 4.719 -0.379 1
1 253 . 13 1 1 A 43 43 THR C C 40 175.221 173.815 1.406 1
1 254 . 13 1 1 A 43 43 THR CA C 40 60.677 60.800 -0.123 1
1 255 . 13 1 1 A 43 43 THR CB C 40 68.516 69.954 -1.438 1
1 257 . 13 1 1 A 43 43 THR N N 40 109.859 115.224 -5.365 1
1 258 . 13 1 1 A 44 44 ARG H H 41 8.496 7.468 1.028 1
1 259 . 13 1 1 A 44 44 ARG HA H 41 5.001 4.762 0.239 1
1 266 . 13 1 1 A 44 44 ARG C C 41 174.082 174.604 -0.522 1
1 267 . 13 1 1 A 44 44 ARG CA C 41 52.838 53.959 -1.121 1
1 268 . 13 1 1 A 44 44 ARG CB C 41 34.466 33.419 1.047 1
1 271 . 13 1 1 A 44 44 ARG N N 41 122.000 120.018 1.982 1
1 272 . 13 1 1 A 45 45 CYS H H 42 8.814 8.875 -0.061 1
1 273 . 13 1 1 A 45 45 CYS HA H 42 5.566 5.363 0.203 1
1 276 . 13 1 1 A 45 45 CYS C C 42 173.806 171.383 2.423 1
1 277 . 13 1 1 A 45 45 CYS CA C 42 51.956 54.793 -2.837 1
1 278 . 13 1 1 A 45 45 CYS CB C 42 38.526 46.518 -7.992 1
1 279 . 13 1 1 A 45 45 CYS N N 42 115.378 117.900 -2.522 1
1 280 . 13 1 1 A 46 46 LEU H H 43 9.234 9.519 -0.285 1
1 281 . 13 1 1 A 46 46 LEU HA H 43 5.382 5.124 0.258 1
1 291 . 13 1 1 A 46 46 LEU C C 43 176.639 174.952 1.687 1
1 292 . 13 1 1 A 46 46 LEU CA C 43 53.739 53.498 0.241 1
1 293 . 13 1 1 A 46 46 LEU CB C 43 46.024 44.678 1.346 1
1 297 . 13 1 1 A 46 46 LEU N N 43 122.940 126.943 -4.003 1
1 298 . 13 1 1 A 47 47 PHE H H 44 9.048 8.868 0.180 1
1 299 . 13 1 1 A 47 47 PHE HA H 44 5.700 5.855 -0.155 1
1 306 . 13 1 1 A 47 47 PHE C C 44 173.708 173.545 0.163 1
1 307 . 13 1 1 A 47 47 PHE CA C 44 56.494 55.698 0.796 1
1 308 . 13 1 1 A 47 47 PHE CB C 44 44.246 42.379 1.867 1
1 313 . 13 1 1 A 47 47 PHE N N 44 128.522 127.914 0.608 1
1 314 . 13 1 1 A 48 48 VAL H H 45 8.086 8.786 -0.700 1
1 315 . 13 1 1 A 48 48 VAL HA H 45 4.234 4.506 -0.272 1
1 323 . 13 1 1 A 48 48 VAL C C 45 173.728 174.562 -0.834 1
1 324 . 13 1 1 A 48 48 VAL CA C 45 61.110 60.226 0.884 1
1 325 . 13 1 1 A 48 48 VAL CB C 45 36.121 34.403 1.718 1
1 328 . 13 1 1 A 48 48 VAL N N 45 124.455 127.031 -2.576 1
1 329 . 13 1 1 A 49 49 GLN H H 46 8.391 8.717 -0.326 1
1 330 . 13 1 1 A 49 49 GLN HA H 46 4.155 4.322 -0.167 1
1 335 . 13 1 1 A 49 49 GLN C C 46 174.214 175.607 -1.393 1
1 336 . 13 1 1 A 49 49 GLN CA C 46 54.491 56.187 -1.696 1
1 337 . 13 1 1 A 49 49 GLN CB C 46 29.986 29.180 0.806 1
1 339 . 13 1 1 A 49 49 GLN N N 46 126.537 126.416 0.121 1
1 340 . 13 1 1 A 50 50 LEU H H 47 7.646 8.240 -0.594 1
1 341 . 13 1 1 A 50 50 LEU HA H 47 3.856 4.773 -0.917 1
1 351 . 13 1 1 A 50 50 LEU C C 47 175.649 176.534 -0.885 1
1 352 . 13 1 1 A 50 50 LEU CA C 47 53.706 51.425 2.281 1
1 353 . 13 1 1 A 50 50 LEU CB C 47 39.821 45.385 -5.564 1
1 357 . 13 1 1 A 50 50 LEU N N 47 127.637 124.277 3.360 1
1 358 . 13 1 1 A 51 51 PRO HA H 48 3.921 4.486 -0.565 1
1 365 . 13 1 1 A 51 51 PRO C C 48 177.492 175.746 1.746 1
1 366 . 13 1 1 A 51 51 PRO CA C 48 65.923 63.513 2.410 1
1 367 . 13 1 1 A 51 51 PRO CB C 48 31.509 32.394 -0.885 1
1 370 . 13 1 1 A 52 52 TYR H H 49 7.517 7.797 -0.280 1
1 371 . 13 1 1 A 52 52 TYR HA H 49 4.790 4.683 0.107 1
1 378 . 13 1 1 A 52 52 TYR C C 49 175.214 175.930 -0.716 1
1 379 . 13 1 1 A 52 52 TYR CA C 49 55.767 59.137 -3.370 1
1 380 . 13 1 1 A 52 52 TYR CB C 49 39.277 40.589 -1.312 1
1 385 . 13 1 1 A 52 52 TYR N N 49 109.643 117.912 -8.269 1
1 386 . 13 1 1 A 53 53 SER H H 50 6.986 7.918 -0.932 1
1 387 . 13 1 1 A 53 53 SER HA H 50 4.409 4.756 -0.347 1
1 390 . 13 1 1 A 53 53 SER C C 50 171.925 172.740 -0.815 1
1 391 . 13 1 1 A 53 53 SER CA C 50 57.189 56.963 0.226 1
1 392 . 13 1 1 A 53 53 SER CB C 50 63.786 66.022 -2.236 1
1 393 . 13 1 1 A 53 53 SER N N 50 112.994 111.699 1.295 1
1 394 . 13 1 1 A 54 54 GLU H H 51 7.890 8.483 -0.593 1
1 395 . 13 1 1 A 54 54 GLU HA H 51 4.903 4.326 0.577 1
1 400 . 13 1 1 A 54 54 GLU C C 51 175.536 176.285 -0.749 1
1 401 . 13 1 1 A 54 54 GLU CA C 51 54.722 56.409 -1.687 1
1 402 . 13 1 1 A 54 54 GLU CB C 51 33.225 30.311 2.914 1
1 404 . 13 1 1 A 54 54 GLU N N 51 115.330 123.518 -8.188 1
1 405 . 13 1 1 A 55 55 ILE H H 52 8.600 8.217 0.383 1
1 406 . 13 1 1 A 55 55 ILE HA H 52 4.302 4.619 -0.317 1
1 416 . 13 1 1 A 55 55 ILE C C 52 175.783 175.410 0.373 1
1 417 . 13 1 1 A 55 55 ILE CA C 52 60.360 59.984 0.376 1
1 418 . 13 1 1 A 55 55 ILE CB C 52 39.228 38.383 0.845 1
1 422 . 13 1 1 A 55 55 ILE N N 52 122.129 123.482 -1.353 1
1 423 . 13 1 1 A 56 56 GLN H H 53 8.573 8.504 0.069 1
1 424 . 13 1 1 A 56 56 GLN HA H 53 5.394 5.707 -0.313 1
1 429 . 13 1 1 A 56 56 GLN C C 53 174.379 174.496 -0.117 1
1 430 . 13 1 1 A 56 56 GLN CA C 53 54.790 54.901 -0.111 1
1 431 . 13 1 1 A 56 56 GLN CB C 53 33.315 32.446 0.869 1
1 433 . 13 1 1 A 56 56 GLN N N 53 126.768 125.920 0.848 1
1 434 . 13 1 1 A 57 57 GLU H H 54 7.782 8.668 -0.886 1
1 435 . 13 1 1 A 57 57 GLU HA H 54 4.967 4.987 -0.020 1
1 440 . 13 1 1 A 57 57 GLU C C 54 176.345 173.577 2.768 1
1 441 . 13 1 1 A 57 57 GLU CA C 54 55.405 55.326 0.079 1
1 442 . 13 1 1 A 57 57 GLU CB C 54 36.080 32.058 4.022 1
1 444 . 13 1 1 A 57 57 GLU N N 54 117.990 120.163 -2.173 1
1 445 . 13 1 1 A 58 58 CYS H H 55 8.780 8.647 0.133 1
1 446 . 13 1 1 A 58 58 CYS HA H 55 5.145 5.150 -0.005 1
1 449 . 13 1 1 A 58 58 CYS C C 55 175.293 173.350 1.943 1
1 450 . 13 1 1 A 58 58 CYS CA C 55 57.749 55.049 2.700 1
1 451 . 13 1 1 A 58 58 CYS CB C 55 45.523 44.068 1.455 1
1 452 . 13 1 1 A 58 58 CYS N N 55 119.662 119.348 0.314 1
1 453 . 13 1 1 A 59 59 LYS H H 56 9.277 8.647 0.630 1
1 454 . 13 1 1 A 59 59 LYS HA H 56 4.896 4.915 -0.019 1
1 463 . 13 1 1 A 59 59 LYS C C 56 176.049 176.056 -0.007 1
1 464 . 13 1 1 A 59 59 LYS CA C 56 53.903 54.691 -0.788 1
1 465 . 13 1 1 A 59 59 LYS CB C 56 40.637 36.679 3.958 1
1 469 . 13 1 1 A 59 59 LYS N N 56 120.535 125.051 -4.516 1
1 470 . 13 1 1 A 60 60 THR H H 57 7.997 8.803 -0.806 1
1 471 . 13 1 1 A 60 60 THR HA H 57 4.876 4.546 0.330 1
1 476 . 13 1 1 A 60 60 THR C C 57 175.637 176.465 -0.828 1
1 477 . 13 1 1 A 60 60 THR CA C 57 61.017 61.094 -0.077 1
1 478 . 13 1 1 A 60 60 THR CB C 57 70.774 70.894 -0.120 1
1 480 . 13 1 1 A 60 60 THR N N 57 108.910 113.028 -4.118 1
1 481 . 13 1 1 A 61 61 VAL H H 58 8.689 8.758 -0.069 1
1 482 . 13 1 1 A 61 61 VAL HA H 58 3.477 3.642 -0.165 1
1 490 . 13 1 1 A 61 61 VAL C C 58 178.541 177.645 0.896 1
1 491 . 13 1 1 A 61 61 VAL CA C 58 67.024 66.924 0.100 1
1 492 . 13 1 1 A 61 61 VAL CB C 58 31.751 31.506 0.245 1
1 495 . 13 1 1 A 61 61 VAL N N 58 121.313 122.477 -1.164 1
1 496 . 13 1 1 A 62 62 GLN H H 59 8.564 8.020 0.544 1
1 497 . 13 1 1 A 62 62 GLN HA H 59 4.062 4.005 0.057 1
1 502 . 13 1 1 A 62 62 GLN C C 59 178.871 178.725 0.146 1
1 503 . 13 1 1 A 62 62 GLN CA C 59 58.993 59.283 -0.290 1
1 504 . 13 1 1 A 62 62 GLN CB C 59 28.085 28.498 -0.413 1
1 506 . 13 1 1 A 62 62 GLN N N 59 119.395 119.234 0.161 1
1 507 . 13 1 1 A 63 63 GLN H H 60 7.644 8.331 -0.687 1
1 508 . 13 1 1 A 63 63 GLN HA H 60 4.082 4.632 -0.550 1
1 513 . 13 1 1 A 63 63 GLN C C 60 179.023 178.015 1.008 1
1 514 . 13 1 1 A 63 63 GLN CA C 60 58.106 58.978 -0.872 1
1 515 . 13 1 1 A 63 63 GLN CB C 60 29.283 28.470 0.813 1
1 517 . 13 1 1 A 63 63 GLN N N 60 116.638 118.366 -1.728 1
1 518 . 13 1 1 A 64 64 CYS H H 61 8.543 8.373 0.170 1
1 519 . 13 1 1 A 64 64 CYS HA H 61 3.951 4.369 -0.418 1
1 522 . 13 1 1 A 64 64 CYS C C 61 176.171 176.318 -0.147 1
1 523 . 13 1 1 A 64 64 CYS CA C 61 64.735 59.076 5.659 1
1 524 . 13 1 1 A 64 64 CYS CB C 61 40.828 42.226 -1.398 1
1 525 . 13 1 1 A 64 64 CYS N N 61 118.614 117.478 1.136 1
1 526 . 13 1 1 A 65 65 ALA H H 62 7.791 7.722 0.069 1
1 527 . 13 1 1 A 65 65 ALA HA H 62 4.021 4.009 0.012 1
1 531 . 13 1 1 A 65 65 ALA C C 62 180.353 179.673 0.680 1
1 532 . 13 1 1 A 65 65 ALA CA C 62 55.249 55.314 -0.065 1
1 533 . 13 1 1 A 65 65 ALA CB C 62 18.069 18.107 -0.038 1
1 534 . 13 1 1 A 65 65 ALA N N 62 119.479 123.150 -3.671 1
1 535 . 13 1 1 A 66 66 GLU H H 63 7.685 8.002 -0.317 1
1 536 . 13 1 1 A 66 66 GLU HA H 63 4.041 4.033 0.008 1
1 541 . 13 1 1 A 66 66 GLU C C 63 179.701 179.023 0.678 1
1 542 . 13 1 1 A 66 66 GLU CA C 63 59.440 59.553 -0.113 1
1 543 . 13 1 1 A 66 66 GLU CB C 63 29.735 29.256 0.479 1
1 545 . 13 1 1 A 66 66 GLU N N 63 117.981 118.498 -0.517 1
1 546 . 13 1 1 A 67 67 VAL H H 64 7.795 8.297 -0.502 1
1 547 . 13 1 1 A 67 67 VAL HA H 64 3.826 4.462 -0.636 1
1 555 . 13 1 1 A 67 67 VAL C C 64 178.078 178.019 0.059 1
1 556 . 13 1 1 A 67 67 VAL CA C 64 66.262 65.981 0.281 1
1 557 . 13 1 1 A 67 67 VAL CB C 64 31.703 31.267 0.436 1
1 560 . 13 1 1 A 67 67 VAL N N 64 120.422 117.118 3.304 1
1 561 . 13 1 1 A 68 68 LEU H H 65 8.563 7.903 0.660 1
1 562 . 13 1 1 A 68 68 LEU HA H 65 3.897 3.998 -0.101 1
1 572 . 13 1 1 A 68 68 LEU C C 65 180.593 178.558 2.035 1
1 573 . 13 1 1 A 68 68 LEU CA C 65 58.495 58.775 -0.280 1
1 574 . 13 1 1 A 68 68 LEU CB C 65 41.633 41.609 0.024 1
1 578 . 13 1 1 A 68 68 LEU N N 65 119.314 125.373 -6.059 1
1 579 . 13 1 1 A 69 69 GLU H H 66 8.071 8.264 -0.193 1
1 580 . 13 1 1 A 69 69 GLU HA H 66 3.947 4.035 -0.088 1
1 585 . 13 1 1 A 69 69 GLU C C 66 178.591 179.522 -0.931 1
1 586 . 13 1 1 A 69 69 GLU CA C 66 59.727 59.498 0.229 1
1 587 . 13 1 1 A 69 69 GLU CB C 66 29.549 28.975 0.574 1
1 589 . 13 1 1 A 69 69 GLU N N 66 120.124 118.454 1.670 1
1 590 . 13 1 1 A 70 70 GLU H H 67 7.471 8.291 -0.820 1
1 591 . 13 1 1 A 70 70 GLU HA H 67 4.111 4.101 0.010 1
1 596 . 13 1 1 A 70 70 GLU C C 67 179.873 178.313 1.560 1
1 597 . 13 1 1 A 70 70 GLU CA C 67 59.439 59.310 0.129 1
1 598 . 13 1 1 A 70 70 GLU CB C 67 30.021 29.132 0.889 1
1 600 . 13 1 1 A 70 70 GLU N N 67 119.545 118.796 0.749 1
1 601 . 13 1 1 A 71 71 VAL H H 68 8.790 7.374 1.416 1
1 602 . 13 1 1 A 71 71 VAL HA H 68 4.137 3.882 0.255 1
1 610 . 13 1 1 A 71 71 VAL C C 68 178.818 178.415 0.403 1
1 611 . 13 1 1 A 71 71 VAL CA C 68 64.321 65.596 -1.275 1
1 612 . 13 1 1 A 71 71 VAL CB C 68 31.230 31.489 -0.259 1
1 615 . 13 1 1 A 71 71 VAL N N 68 111.497 116.503 -5.006 1
1 616 . 13 1 1 A 72 72 THR H H 69 8.231 8.072 0.159 1
1 617 . 13 1 1 A 72 72 THR HA H 69 4.161 4.036 0.125 1
1 622 . 13 1 1 A 72 72 THR C C 69 177.502 177.013 0.489 1
1 623 . 13 1 1 A 72 72 THR CA C 69 66.179 66.222 -0.043 1
1 624 . 13 1 1 A 72 72 THR CB C 69 68.770 68.484 0.286 1
1 626 . 13 1 1 A 72 72 THR N N 69 118.078 116.971 1.107 1
1 627 . 13 1 1 A 73 73 ALA H H 70 7.177 8.322 -1.145 1
1 628 . 13 1 1 A 73 73 ALA HA H 70 4.139 4.158 -0.019 1
1 632 . 13 1 1 A 73 73 ALA C C 70 179.116 178.767 0.349 1
1 633 . 13 1 1 A 73 73 ALA CA C 70 54.690 54.613 0.077 1
1 634 . 13 1 1 A 73 73 ALA CB C 70 18.039 18.226 -0.187 1
1 635 . 13 1 1 A 73 73 ALA N N 70 123.757 122.965 0.792 1
1 636 . 13 1 1 A 74 74 ILE H H 71 6.874 7.453 -0.579 1
1 637 . 13 1 1 A 74 74 ILE HA H 71 3.988 4.147 -0.159 1
1 647 . 13 1 1 A 74 74 ILE C C 71 176.201 175.930 0.271 1
1 648 . 13 1 1 A 74 74 ILE CA C 71 61.927 61.682 0.245 1
1 649 . 13 1 1 A 74 74 ILE CB C 71 38.431 38.701 -0.270 1
1 653 . 13 1 1 A 74 74 ILE N N 71 113.131 115.405 -2.274 1
1 654 . 13 1 1 A 75 75 GLY H H 72 7.476 7.774 -0.298 1
1 655 . 13 1 1 A 75 75 GLY HA2 H 72 3.663 3.827 -0.164 1
1 656 . 13 1 1 A 75 75 GLY HA3 H 72 4.166 3.946 0.220 1
1 657 . 13 1 1 A 75 75 GLY C C 72 174.832 173.747 1.085 1
1 658 . 13 1 1 A 75 75 GLY CA C 72 45.144 44.810 0.334 1
1 659 . 13 1 1 A 75 75 GLY N N 72 106.405 108.079 -1.674 1
1 660 . 13 1 1 A 76 76 TYR H H 73 7.340 8.011 -0.671 1
1 661 . 13 1 1 A 76 76 TYR HA H 73 5.184 4.663 0.521 1
1 668 . 13 1 1 A 76 76 TYR C C 73 173.889 174.255 -0.366 1
1 669 . 13 1 1 A 76 76 TYR CA C 73 52.922 56.013 -3.091 1
1 670 . 13 1 1 A 76 76 TYR CB C 73 36.723 39.028 -2.305 1
1 675 . 13 1 1 A 76 76 TYR N N 73 122.416 120.653 1.763 1
1 676 . 13 1 1 A 77 77 PRO HA H 74 4.394 4.467 -0.073 1
1 683 . 13 1 1 A 77 77 PRO C C 74 175.722 176.183 -0.461 1
1 684 . 13 1 1 A 77 77 PRO CA C 74 63.242 63.216 0.026 1
1 685 . 13 1 1 A 77 77 PRO CB C 74 32.460 32.032 0.428 1
1 688 . 13 1 1 A 78 78 ALA H H 75 7.778 8.469 -0.691 1
1 689 . 13 1 1 A 78 78 ALA HA H 75 5.239 5.311 -0.072 1
1 693 . 13 1 1 A 78 78 ALA C C 75 176.207 175.751 0.456 1
1 694 . 13 1 1 A 78 78 ALA CA C 75 51.422 50.480 0.942 1
1 695 . 13 1 1 A 78 78 ALA CB C 75 25.258 23.664 1.594 1
1 696 . 13 1 1 A 78 78 ALA N N 75 122.638 124.136 -1.498 1
1 697 . 13 1 1 A 79 79 LYS H H 76 9.213 9.365 -0.152 1
1 698 . 13 1 1 A 79 79 LYS HA H 76 4.632 4.975 -0.343 1
1 707 . 13 1 1 A 79 79 LYS C C 76 173.669 174.761 -1.092 1
1 708 . 13 1 1 A 79 79 LYS CA C 76 55.912 54.746 1.166 1
1 709 . 13 1 1 A 79 79 LYS CB C 76 36.309 35.373 0.936 1
1 713 . 13 1 1 A 79 79 LYS N N 76 115.751 117.663 -1.912 1
1 714 . 13 1 1 A 80 80 CYS H H 77 8.602 9.118 -0.516 1
1 715 . 13 1 1 A 80 80 CYS HA H 77 5.535 5.767 -0.232 1
1 718 . 13 1 1 A 80 80 CYS C C 77 174.029 172.722 1.307 1
1 719 . 13 1 1 A 80 80 CYS CA C 77 56.029 54.452 1.577 1
1 720 . 13 1 1 A 80 80 CYS CB C 77 47.796 43.374 4.422 1
1 721 . 13 1 1 A 80 80 CYS N N 77 119.633 124.058 -4.425 1
1 722 . 13 1 1 A 81 81 CYS H H 78 9.428 9.319 0.109 1
1 723 . 13 1 1 A 81 81 CYS HA H 78 5.391 5.308 0.083 1
1 726 . 13 1 1 A 81 81 CYS C C 78 173.980 172.140 1.840 1
1 727 . 13 1 1 A 81 81 CYS CA C 78 54.237 54.525 -0.288 1
1 728 . 13 1 1 A 81 81 CYS CB C 78 47.557 45.806 1.751 1
1 729 . 13 1 1 A 81 81 CYS N N 78 120.091 127.289 -7.198 1
1 730 . 13 1 1 A 82 82 CYS H H 79 9.291 8.988 0.303 1
1 731 . 13 1 1 A 82 82 CYS HA H 79 5.134 5.069 0.065 1
1 734 . 13 1 1 A 82 82 CYS C C 79 172.349 173.311 -0.962 1
1 735 . 13 1 1 A 82 82 CYS CA C 79 56.628 57.282 -0.654 1
1 736 . 13 1 1 A 82 82 CYS CB C 79 46.122 28.697 17.425 1
1 737 . 13 1 1 A 82 82 CYS N N 79 117.137 122.527 -5.390 1
1 738 . 13 1 1 A 83 83 GLU H H 80 7.283 8.589 -1.306 1
1 739 . 13 1 1 A 83 83 GLU HA H 80 4.625 4.666 -0.041 1
1 744 . 13 1 1 A 83 83 GLU C C 80 174.435 174.470 -0.035 1
1 745 . 13 1 1 A 83 83 GLU CA C 80 54.873 56.207 -1.334 1
1 746 . 13 1 1 A 83 83 GLU CB C 80 33.106 33.632 -0.526 1
1 748 . 13 1 1 A 83 83 GLU N N 80 120.821 125.854 -5.033 1
1 749 . 13 1 1 A 84 84 ASP H H 81 8.433 8.706 -0.273 1
1 750 . 13 1 1 A 84 84 ASP HA H 81 4.956 4.380 0.576 1
1 753 . 13 1 1 A 84 84 ASP C C 81 178.149 176.605 1.544 1
1 754 . 13 1 1 A 84 84 ASP CA C 81 55.409 55.129 0.280 1
1 755 . 13 1 1 A 84 84 ASP CB C 81 40.817 40.786 0.031 1
1 756 . 13 1 1 A 84 84 ASP N N 81 121.789 124.637 -2.848 1
1 757 . 13 1 1 A 85 85 LEU H H 82 9.244 9.384 -0.140 1
1 758 . 13 1 1 A 85 85 LEU HA H 82 3.308 3.484 -0.176 1
1 765 . 13 1 1 A 85 85 LEU C C 82 176.858 176.688 0.170 1
1 766 . 13 1 1 A 85 85 LEU CA C 82 56.047 56.421 -0.374 1
1 767 . 13 1 1 A 85 85 LEU CB C 82 36.885 39.250 -2.365 1
1 770 . 13 1 1 A 85 85 LEU N N 82 114.422 118.085 -3.663 1
1 771 . 13 1 1 A 86 86 CYS H H 83 8.005 7.855 0.150 1
1 772 . 13 1 1 A 86 86 CYS HA H 83 4.547 4.345 0.202 1
1 775 . 13 1 1 A 86 86 CYS C C 83 174.632 175.110 -0.478 1
1 776 . 13 1 1 A 86 86 CYS CA C 83 57.206 59.326 -2.120 1
1 777 . 13 1 1 A 86 86 CYS CB C 83 47.155 41.899 5.256 1
1 778 . 13 1 1 A 86 86 CYS N N 83 112.558 117.814 -5.256 1
1 779 . 13 1 1 A 87 87 ASN H H 84 8.859 8.238 0.621 1
1 780 . 13 1 1 A 87 87 ASN HA H 84 4.526 4.648 -0.122 1
1 783 . 13 1 1 A 87 87 ASN C C 84 172.146 175.057 -2.911 1
1 784 . 13 1 1 A 87 87 ASN CA C 84 52.617 52.502 0.115 1
1 785 . 13 1 1 A 87 87 ASN CB C 84 36.673 37.646 -0.973 1
1 786 . 13 1 1 A 87 87 ASN N N 84 119.985 114.924 5.061 1
1 787 . 13 1 1 A 88 88 ARG H H 85 7.353 7.491 -0.138 1
1 788 . 13 1 1 A 88 88 ARG HA H 85 3.734 4.381 -0.647 1
1 795 . 13 1 1 A 88 88 ARG C C 85 173.901 175.893 -1.992 1
1 796 . 13 1 1 A 88 88 ARG CA C 85 55.058 55.748 -0.690 1
1 797 . 13 1 1 A 88 88 ARG CB C 85 31.857 31.307 0.550 1
1 800 . 13 1 1 A 88 88 ARG N N 85 118.446 120.853 -2.407 1
1 801 . 13 1 1 A 89 89 SER H H 86 7.987 8.601 -0.614 1
1 802 . 13 1 1 A 89 89 SER HA H 86 3.689 4.119 -0.430 1
1 805 . 13 1 1 A 89 89 SER C C 86 174.342 174.536 -0.194 1
1 806 . 13 1 1 A 89 89 SER CA C 86 57.844 58.197 -0.353 1
1 807 . 13 1 1 A 89 89 SER CB C 86 63.504 61.975 1.529 1
1 808 . 13 1 1 A 89 89 SER N N 86 115.514 119.206 -3.692 1
1 809 . 13 1 1 A 90 90 GLU H H 87 8.461 8.934 -0.473 1
1 810 . 13 1 1 A 90 90 GLU HA H 87 4.125 3.900 0.225 1
1 815 . 13 1 1 A 90 90 GLU C C 87 175.632 175.683 -0.051 1
1 816 . 13 1 1 A 90 90 GLU CA C 87 56.799 57.741 -0.942 1
1 817 . 13 1 1 A 90 90 GLU CB C 87 30.049 28.006 2.043 1
1 819 . 13 1 1 A 90 90 GLU N N 87 122.917 125.634 -2.717 1
1 16 . 14 1 1 A 22 22 ALA H H 19 8.052 8.419 -0.367 1
1 17 . 14 1 1 A 22 22 ALA HA H 19 4.191 4.509 -0.318 1
1 21 . 14 1 1 A 22 22 ALA C C 19 176.151 176.764 -0.613 1
1 22 . 14 1 1 A 22 22 ALA CA C 19 51.960 51.948 0.012 1
1 23 . 14 1 1 A 22 22 ALA CB C 19 19.784 19.670 0.114 1
1 24 . 14 1 1 A 22 22 ALA N N 19 125.891 124.541 1.350 1
1 25 . 14 1 1 A 23 23 LEU H H 20 8.117 9.245 -1.128 1
1 26 . 14 1 1 A 23 23 LEU HA H 20 4.273 5.182 -0.909 1
1 36 . 14 1 1 A 23 23 LEU C C 20 174.307 175.216 -0.909 1
1 37 . 14 1 1 A 23 23 LEU CA C 20 54.838 53.279 1.559 1
1 38 . 14 1 1 A 23 23 LEU CB C 20 44.574 45.419 -0.845 1
1 42 . 14 1 1 A 23 23 LEU N N 20 125.488 123.509 1.979 1
1 43 . 14 1 1 A 24 24 LYS H H 21 7.915 8.318 -0.403 1
1 44 . 14 1 1 A 24 24 LYS HA H 21 5.287 5.200 0.087 1
1 53 . 14 1 1 A 24 24 LYS C C 21 175.901 175.633 0.268 1
1 54 . 14 1 1 A 24 24 LYS CA C 21 54.174 55.652 -1.478 1
1 55 . 14 1 1 A 24 24 LYS CB C 21 34.841 33.191 1.650 1
1 59 . 14 1 1 A 24 24 LYS N N 21 122.369 125.220 -2.851 1
1 60 . 14 1 1 A 25 25 CYS H H 22 8.426 8.769 -0.343 1
1 61 . 14 1 1 A 25 25 CYS HA H 22 4.886 4.866 0.020 1
1 64 . 14 1 1 A 25 25 CYS C C 22 175.309 172.410 2.899 1
1 65 . 14 1 1 A 25 25 CYS CA C 22 51.680 55.112 -3.432 1
1 66 . 14 1 1 A 25 25 CYS CB C 22 41.829 47.130 -5.301 1
1 67 . 14 1 1 A 25 25 CYS N N 22 117.505 119.696 -2.191 1
1 68 . 14 1 1 A 26 26 PHE H H 23 8.960 8.713 0.247 1
1 69 . 14 1 1 A 26 26 PHE HA H 23 5.057 5.008 0.049 1
1 74 . 14 1 1 A 26 26 PHE C C 23 176.694 175.685 1.009 1
1 75 . 14 1 1 A 26 26 PHE CA C 23 60.302 57.908 2.394 1
1 76 . 14 1 1 A 26 26 PHE CB C 23 39.490 39.440 0.050 1
1 79 . 14 1 1 A 26 26 PHE N N 23 120.038 121.268 -1.230 1
1 80 . 14 1 1 A 27 27 THR H H 24 9.071 9.476 -0.405 1
1 81 . 14 1 1 A 27 27 THR HA H 24 4.960 4.759 0.201 1
1 86 . 14 1 1 A 27 27 THR C C 24 173.722 173.027 0.695 1
1 87 . 14 1 1 A 27 27 THR CA C 24 59.835 61.066 -1.231 1
1 88 . 14 1 1 A 27 27 THR CB C 24 71.382 71.668 -0.286 1
1 90 . 14 1 1 A 27 27 THR N N 24 114.266 118.655 -4.389 1
1 91 . 14 1 1 A 28 28 ARG H H 25 8.398 8.578 -0.180 1
1 92 . 14 1 1 A 28 28 ARG HA H 25 5.158 4.670 0.488 1
1 99 . 14 1 1 A 28 28 ARG C C 25 175.547 175.378 0.169 1
1 100 . 14 1 1 A 28 28 ARG CA C 25 54.586 56.124 -1.538 1
1 101 . 14 1 1 A 28 28 ARG CB C 25 32.443 30.889 1.554 1
1 104 . 14 1 1 A 28 28 ARG N N 25 123.189 127.510 -4.321 1
1 105 . 14 1 1 A 29 29 ASN H H 26 8.589 8.984 -0.395 1
1 106 . 14 1 1 A 29 29 ASN HA H 26 4.938 5.086 -0.148 1
1 109 . 14 1 1 A 29 29 ASN C C 26 175.273 175.587 -0.314 1
1 110 . 14 1 1 A 29 29 ASN CA C 26 52.276 52.042 0.234 1
1 111 . 14 1 1 A 29 29 ASN CB C 26 39.660 39.341 0.319 1
1 112 . 14 1 1 A 29 29 ASN N N 26 125.242 126.097 -0.855 1
1 113 . 14 1 1 A 30 30 GLY H H 27 9.046 8.871 0.175 1
1 114 . 14 1 1 A 30 30 GLY HA2 H 27 3.649 3.867 -0.218 1
1 115 . 14 1 1 A 30 30 GLY HA3 H 27 3.996 3.869 0.127 1
1 116 . 14 1 1 A 30 30 GLY C C 27 174.707 174.480 0.227 1
1 117 . 14 1 1 A 30 30 GLY CA C 27 46.906 47.360 -0.454 1
1 118 . 14 1 1 A 30 30 GLY N N 27 115.613 115.241 0.372 1
1 119 . 14 1 1 A 31 31 ASP H H 28 8.956 8.805 0.151 1
1 120 . 14 1 1 A 31 31 ASP HA H 28 4.648 4.644 0.004 1
1 123 . 14 1 1 A 31 31 ASP C C 28 175.670 175.750 -0.080 1
1 124 . 14 1 1 A 31 31 ASP CA C 28 54.939 55.032 -0.093 1
1 125 . 14 1 1 A 31 31 ASP CB C 28 41.505 41.825 -0.320 1
1 126 . 14 1 1 A 31 31 ASP N N 28 126.791 126.794 -0.003 1
1 127 . 14 1 1 A 32 32 ASP H H 29 7.973 7.762 0.211 1
1 128 . 14 1 1 A 32 32 ASP HA H 29 4.778 4.587 0.191 1
1 131 . 14 1 1 A 32 32 ASP C C 29 174.871 175.925 -1.054 1
1 132 . 14 1 1 A 32 32 ASP CA C 29 54.192 54.167 0.025 1
1 133 . 14 1 1 A 32 32 ASP CB C 29 42.663 41.376 1.287 1
1 134 . 14 1 1 A 32 32 ASP N N 29 120.240 120.565 -0.325 1
1 135 . 14 1 1 A 33 33 ARG H H 30 8.682 8.661 0.021 1
1 136 . 14 1 1 A 33 33 ARG HA H 30 5.020 4.977 0.043 1
1 143 . 14 1 1 A 33 33 ARG C C 30 175.569 175.368 0.201 1
1 144 . 14 1 1 A 33 33 ARG CA C 30 55.487 54.947 0.540 1
1 145 . 14 1 1 A 33 33 ARG CB C 30 31.962 31.962 0.000 1
1 148 . 14 1 1 A 33 33 ARG N N 30 125.183 124.205 0.978 1
1 149 . 14 1 1 A 34 34 THR H H 31 8.976 9.171 -0.195 1
1 150 . 14 1 1 A 34 34 THR HA H 31 4.764 4.852 -0.088 1
1 155 . 14 1 1 A 34 34 THR C C 31 172.745 174.189 -1.444 1
1 156 . 14 1 1 A 34 34 THR CA C 31 59.891 61.988 -2.097 1
1 157 . 14 1 1 A 34 34 THR CB C 31 71.522 70.785 0.737 1
1 159 . 14 1 1 A 34 34 THR N N 31 120.162 120.794 -0.632 1
1 160 . 14 1 1 A 35 35 VAL H H 32 8.286 8.519 -0.233 1
1 161 . 14 1 1 A 35 35 VAL HA H 32 4.110 3.970 0.140 1
1 169 . 14 1 1 A 35 35 VAL C C 32 175.720 175.459 0.261 1
1 170 . 14 1 1 A 35 35 VAL CA C 32 62.838 63.093 -0.255 1
1 171 . 14 1 1 A 35 35 VAL CB C 32 32.883 30.996 1.887 1
1 174 . 14 1 1 A 35 35 VAL N N 32 122.209 127.580 -5.371 1
1 175 . 14 1 1 A 36 36 THR H H 33 8.749 8.691 0.058 1
1 176 . 14 1 1 A 36 36 THR HA H 33 4.486 5.330 -0.844 1
1 181 . 14 1 1 A 36 36 THR C C 33 173.029 172.587 0.442 1
1 182 . 14 1 1 A 36 36 THR CA C 33 61.029 59.498 1.531 1
1 183 . 14 1 1 A 36 36 THR CB C 33 71.425 71.140 0.285 1
1 185 . 14 1 1 A 36 36 THR N N 33 125.259 118.625 6.634 1
1 186 . 14 1 1 A 37 37 THR H H 34 8.544 8.804 -0.260 1
1 187 . 14 1 1 A 37 37 THR HA H 34 4.371 4.559 -0.188 1
1 192 . 14 1 1 A 37 37 THR C C 34 173.839 172.917 0.922 1
1 193 . 14 1 1 A 37 37 THR CA C 34 62.892 60.825 2.067 1
1 194 . 14 1 1 A 37 37 THR CB C 34 68.156 69.259 -1.103 1
1 196 . 14 1 1 A 37 37 THR N N 34 122.774 118.757 4.017 1
1 197 . 14 1 1 A 38 38 CYS H H 35 9.227 9.336 -0.109 1
1 198 . 14 1 1 A 38 38 CYS HA H 35 4.516 5.126 -0.610 1
1 201 . 14 1 1 A 38 38 CYS C C 35 174.923 173.510 1.413 1
1 202 . 14 1 1 A 38 38 CYS CA C 35 52.962 54.543 -1.581 1
1 203 . 14 1 1 A 38 38 CYS CB C 35 37.439 44.664 -7.225 1
1 204 . 14 1 1 A 38 38 CYS N N 35 129.056 127.041 2.015 1
1 205 . 14 1 1 A 39 39 ALA H H 36 8.113 8.850 -0.737 1
1 206 . 14 1 1 A 39 39 ALA HA H 36 4.313 4.515 -0.202 1
1 210 . 14 1 1 A 39 39 ALA C C 36 178.809 178.490 0.319 1
1 211 . 14 1 1 A 39 39 ALA CA C 36 52.125 51.737 0.388 1
1 212 . 14 1 1 A 39 39 ALA CB C 36 19.235 20.131 -0.896 1
1 213 . 14 1 1 A 39 39 ALA N N 36 122.621 124.672 -2.051 1
1 214 . 14 1 1 A 40 40 GLU H H 37 8.701 8.930 -0.229 1
1 215 . 14 1 1 A 40 40 GLU HA H 37 3.826 3.980 -0.154 1
1 220 . 14 1 1 A 40 40 GLU C C 37 177.999 178.450 -0.451 1
1 221 . 14 1 1 A 40 40 GLU CA C 37 60.104 59.568 0.536 1
1 222 . 14 1 1 A 40 40 GLU CB C 37 29.712 29.227 0.485 1
1 224 . 14 1 1 A 40 40 GLU N N 37 120.905 118.782 2.123 1
1 225 . 14 1 1 A 41 41 GLU H H 38 8.870 8.794 0.076 1
1 226 . 14 1 1 A 41 41 GLU HA H 38 4.233 4.119 0.114 1
1 231 . 14 1 1 A 41 41 GLU C C 38 176.790 177.227 -0.437 1
1 232 . 14 1 1 A 41 41 GLU CA C 38 57.438 59.445 -2.007 1
1 233 . 14 1 1 A 41 41 GLU CB C 38 28.813 29.043 -0.230 1
1 235 . 14 1 1 A 41 41 GLU N N 38 113.838 118.379 -4.541 1
1 236 . 14 1 1 A 42 42 GLN H H 39 7.935 8.053 -0.118 1
1 237 . 14 1 1 A 42 42 GLN HA H 39 4.069 4.595 -0.526 1
1 242 . 14 1 1 A 42 42 GLN C C 39 174.033 176.174 -2.141 1
1 243 . 14 1 1 A 42 42 GLN CA C 39 55.177 54.185 0.992 1
1 244 . 14 1 1 A 42 42 GLN CB C 39 28.144 27.039 1.105 1
1 246 . 14 1 1 A 42 42 GLN N N 39 120.919 118.543 2.376 1
1 247 . 14 1 1 A 43 43 THR H H 40 6.846 8.021 -1.175 1
1 248 . 14 1 1 A 43 43 THR HA H 40 4.340 4.444 -0.104 1
1 253 . 14 1 1 A 43 43 THR C C 40 175.221 173.635 1.586 1
1 254 . 14 1 1 A 43 43 THR CA C 40 60.677 62.148 -1.471 1
1 255 . 14 1 1 A 43 43 THR CB C 40 68.516 69.035 -0.519 1
1 257 . 14 1 1 A 43 43 THR N N 40 109.859 114.094 -4.235 1
1 258 . 14 1 1 A 44 44 ARG H H 41 8.496 7.301 1.195 1
1 259 . 14 1 1 A 44 44 ARG HA H 41 5.001 4.778 0.223 1
1 266 . 14 1 1 A 44 44 ARG C C 41 174.082 174.337 -0.255 1
1 267 . 14 1 1 A 44 44 ARG CA C 41 52.838 54.007 -1.169 1
1 268 . 14 1 1 A 44 44 ARG CB C 41 34.466 33.316 1.150 1
1 271 . 14 1 1 A 44 44 ARG N N 41 122.000 121.437 0.563 1
1 272 . 14 1 1 A 45 45 CYS H H 42 8.814 8.941 -0.127 1
1 273 . 14 1 1 A 45 45 CYS HA H 42 5.566 5.208 0.358 1
1 276 . 14 1 1 A 45 45 CYS C C 42 173.806 171.510 2.296 1
1 277 . 14 1 1 A 45 45 CYS CA C 42 51.956 55.344 -3.388 1
1 278 . 14 1 1 A 45 45 CYS CB C 42 38.526 46.246 -7.720 1
1 279 . 14 1 1 A 45 45 CYS N N 42 115.378 118.878 -3.500 1
1 280 . 14 1 1 A 46 46 LEU H H 43 9.234 9.561 -0.327 1
1 281 . 14 1 1 A 46 46 LEU HA H 43 5.382 4.993 0.389 1
1 291 . 14 1 1 A 46 46 LEU C C 43 176.639 175.501 1.138 1
1 292 . 14 1 1 A 46 46 LEU CA C 43 53.739 53.841 -0.102 1
1 293 . 14 1 1 A 46 46 LEU CB C 43 46.024 44.252 1.772 1
1 297 . 14 1 1 A 46 46 LEU N N 43 122.940 128.170 -5.230 1
1 298 . 14 1 1 A 47 47 PHE H H 44 9.048 8.686 0.362 1
1 299 . 14 1 1 A 47 47 PHE HA H 44 5.700 5.950 -0.250 1
1 306 . 14 1 1 A 47 47 PHE C C 44 173.708 173.459 0.249 1
1 307 . 14 1 1 A 47 47 PHE CA C 44 56.494 56.294 0.200 1
1 308 . 14 1 1 A 47 47 PHE CB C 44 44.246 42.388 1.858 1
1 313 . 14 1 1 A 47 47 PHE N N 44 128.522 127.684 0.838 1
1 314 . 14 1 1 A 48 48 VAL H H 45 8.086 8.474 -0.388 1
1 315 . 14 1 1 A 48 48 VAL HA H 45 4.234 4.871 -0.637 1
1 323 . 14 1 1 A 48 48 VAL C C 45 173.728 174.411 -0.683 1
1 324 . 14 1 1 A 48 48 VAL CA C 45 61.110 59.734 1.376 1
1 325 . 14 1 1 A 48 48 VAL CB C 45 36.121 35.018 1.103 1
1 328 . 14 1 1 A 48 48 VAL N N 45 124.455 126.674 -2.219 1
1 329 . 14 1 1 A 49 49 GLN H H 46 8.391 8.776 -0.385 1
1 330 . 14 1 1 A 49 49 GLN HA H 46 4.155 4.402 -0.247 1
1 335 . 14 1 1 A 49 49 GLN C C 46 174.214 175.581 -1.367 1
1 336 . 14 1 1 A 49 49 GLN CA C 46 54.491 56.118 -1.627 1
1 337 . 14 1 1 A 49 49 GLN CB C 46 29.986 29.628 0.358 1
1 339 . 14 1 1 A 49 49 GLN N N 46 126.537 126.072 0.465 1
1 340 . 14 1 1 A 50 50 LEU H H 47 7.646 7.825 -0.179 1
1 341 . 14 1 1 A 50 50 LEU HA H 47 3.856 4.737 -0.881 1
1 351 . 14 1 1 A 50 50 LEU C C 47 175.649 176.638 -0.989 1
1 352 . 14 1 1 A 50 50 LEU CA C 47 53.706 51.262 2.444 1
1 353 . 14 1 1 A 50 50 LEU CB C 47 39.821 44.704 -4.883 1
1 357 . 14 1 1 A 50 50 LEU N N 47 127.637 123.816 3.821 1
1 358 . 14 1 1 A 51 51 PRO HA H 48 3.921 4.537 -0.616 1
1 365 . 14 1 1 A 51 51 PRO C C 48 177.492 176.935 0.557 1
1 366 . 14 1 1 A 51 51 PRO CA C 48 65.923 64.129 1.794 1
1 367 . 14 1 1 A 51 51 PRO CB C 48 31.509 31.893 -0.384 1
1 370 . 14 1 1 A 52 52 TYR H H 49 7.517 7.964 -0.447 1
1 371 . 14 1 1 A 52 52 TYR HA H 49 4.790 4.801 -0.011 1
1 378 . 14 1 1 A 52 52 TYR C C 49 175.214 174.395 0.819 1
1 379 . 14 1 1 A 52 52 TYR CA C 49 55.767 57.338 -1.571 1
1 380 . 14 1 1 A 52 52 TYR CB C 49 39.277 40.748 -1.471 1
1 385 . 14 1 1 A 52 52 TYR N N 49 109.643 116.978 -7.335 1
1 386 . 14 1 1 A 53 53 SER H H 50 6.986 7.393 -0.407 1
1 387 . 14 1 1 A 53 53 SER HA H 50 4.409 4.660 -0.251 1
1 390 . 14 1 1 A 53 53 SER C C 50 171.925 172.373 -0.448 1
1 391 . 14 1 1 A 53 53 SER CA C 50 57.189 57.011 0.178 1
1 392 . 14 1 1 A 53 53 SER CB C 50 63.786 65.210 -1.424 1
1 393 . 14 1 1 A 53 53 SER N N 50 112.994 113.273 -0.279 1
1 394 . 14 1 1 A 54 54 GLU H H 51 7.890 8.806 -0.916 1
1 395 . 14 1 1 A 54 54 GLU HA H 51 4.903 4.875 0.028 1
1 400 . 14 1 1 A 54 54 GLU C C 51 175.536 173.859 1.677 1
1 401 . 14 1 1 A 54 54 GLU CA C 51 54.722 54.581 0.141 1
1 402 . 14 1 1 A 54 54 GLU CB C 51 33.225 33.431 -0.206 1
1 404 . 14 1 1 A 54 54 GLU N N 51 115.330 115.899 -0.569 1
1 405 . 14 1 1 A 55 55 ILE H H 52 8.600 8.638 -0.038 1
1 406 . 14 1 1 A 55 55 ILE HA H 52 4.302 4.705 -0.403 1
1 416 . 14 1 1 A 55 55 ILE C C 52 175.783 175.112 0.671 1
1 417 . 14 1 1 A 55 55 ILE CA C 52 60.360 59.712 0.648 1
1 418 . 14 1 1 A 55 55 ILE CB C 52 39.228 39.444 -0.216 1
1 422 . 14 1 1 A 55 55 ILE N N 52 122.129 123.097 -0.968 1
1 423 . 14 1 1 A 56 56 GLN H H 53 8.573 8.789 -0.216 1
1 424 . 14 1 1 A 56 56 GLN HA H 53 5.394 5.583 -0.189 1
1 429 . 14 1 1 A 56 56 GLN C C 53 174.379 174.574 -0.195 1
1 430 . 14 1 1 A 56 56 GLN CA C 53 54.790 54.621 0.169 1
1 431 . 14 1 1 A 56 56 GLN CB C 53 33.315 32.434 0.881 1
1 433 . 14 1 1 A 56 56 GLN N N 53 126.768 125.317 1.451 1
1 434 . 14 1 1 A 57 57 GLU H H 54 7.782 8.862 -1.080 1
1 435 . 14 1 1 A 57 57 GLU HA H 54 4.967 4.900 0.067 1
1 440 . 14 1 1 A 57 57 GLU C C 54 176.345 175.019 1.326 1
1 441 . 14 1 1 A 57 57 GLU CA C 54 55.405 55.138 0.267 1
1 442 . 14 1 1 A 57 57 GLU CB C 54 36.080 32.471 3.609 1
1 444 . 14 1 1 A 57 57 GLU N N 54 117.990 120.513 -2.523 1
1 445 . 14 1 1 A 58 58 CYS H H 55 8.780 8.014 0.766 1
1 446 . 14 1 1 A 58 58 CYS HA H 55 5.145 5.077 0.068 1
1 449 . 14 1 1 A 58 58 CYS C C 55 175.293 173.281 2.012 1
1 450 . 14 1 1 A 58 58 CYS CA C 55 57.749 55.858 1.891 1
1 451 . 14 1 1 A 58 58 CYS CB C 55 45.523 42.928 2.595 1
1 452 . 14 1 1 A 58 58 CYS N N 55 119.662 119.861 -0.199 1
1 453 . 14 1 1 A 59 59 LYS H H 56 9.277 8.437 0.840 1
1 454 . 14 1 1 A 59 59 LYS HA H 56 4.896 4.638 0.258 1
1 463 . 14 1 1 A 59 59 LYS C C 56 176.049 174.713 1.336 1
1 464 . 14 1 1 A 59 59 LYS CA C 56 53.903 55.598 -1.695 1
1 465 . 14 1 1 A 59 59 LYS CB C 56 40.637 36.302 4.335 1
1 469 . 14 1 1 A 59 59 LYS N N 56 120.535 124.308 -3.773 1
1 470 . 14 1 1 A 60 60 THR H H 57 7.997 8.725 -0.728 1
1 471 . 14 1 1 A 60 60 THR HA H 57 4.876 4.508 0.368 1
1 476 . 14 1 1 A 60 60 THR C C 57 175.637 176.166 -0.529 1
1 477 . 14 1 1 A 60 60 THR CA C 57 61.017 61.853 -0.836 1
1 478 . 14 1 1 A 60 60 THR CB C 57 70.774 70.020 0.754 1
1 480 . 14 1 1 A 60 60 THR N N 57 108.910 115.033 -6.123 1
1 481 . 14 1 1 A 61 61 VAL H H 58 8.689 8.722 -0.033 1
1 482 . 14 1 1 A 61 61 VAL HA H 58 3.477 3.660 -0.183 1
1 490 . 14 1 1 A 61 61 VAL C C 58 178.541 177.446 1.095 1
1 491 . 14 1 1 A 61 61 VAL CA C 58 67.024 67.095 -0.071 1
1 492 . 14 1 1 A 61 61 VAL CB C 58 31.751 31.849 -0.098 1
1 495 . 14 1 1 A 61 61 VAL N N 58 121.313 122.957 -1.644 1
1 496 . 14 1 1 A 62 62 GLN H H 59 8.564 8.055 0.509 1
1 497 . 14 1 1 A 62 62 GLN HA H 59 4.062 3.997 0.065 1
1 502 . 14 1 1 A 62 62 GLN C C 59 178.871 178.610 0.261 1
1 503 . 14 1 1 A 62 62 GLN CA C 59 58.993 59.323 -0.330 1
1 504 . 14 1 1 A 62 62 GLN CB C 59 28.085 28.682 -0.597 1
1 506 . 14 1 1 A 62 62 GLN N N 59 119.395 119.374 0.021 1
1 507 . 14 1 1 A 63 63 GLN H H 60 7.644 7.743 -0.099 1
1 508 . 14 1 1 A 63 63 GLN HA H 60 4.082 4.015 0.067 1
1 513 . 14 1 1 A 63 63 GLN C C 60 179.023 178.368 0.655 1
1 514 . 14 1 1 A 63 63 GLN CA C 60 58.106 58.885 -0.779 1
1 515 . 14 1 1 A 63 63 GLN CB C 60 29.283 28.213 1.070 1
1 517 . 14 1 1 A 63 63 GLN N N 60 116.638 117.356 -0.718 1
1 518 . 14 1 1 A 64 64 CYS H H 61 8.543 8.493 0.050 1
1 519 . 14 1 1 A 64 64 CYS HA H 61 3.951 4.367 -0.416 1
1 522 . 14 1 1 A 64 64 CYS C C 61 176.171 176.138 0.033 1
1 523 . 14 1 1 A 64 64 CYS CA C 61 64.735 58.942 5.793 1
1 524 . 14 1 1 A 64 64 CYS CB C 61 40.828 42.105 -1.277 1
1 525 . 14 1 1 A 64 64 CYS N N 61 118.614 118.991 -0.377 1
1 526 . 14 1 1 A 65 65 ALA H H 62 7.791 7.803 -0.012 1
1 527 . 14 1 1 A 65 65 ALA HA H 62 4.021 3.996 0.025 1
1 531 . 14 1 1 A 65 65 ALA C C 62 180.353 179.524 0.829 1
1 532 . 14 1 1 A 65 65 ALA CA C 62 55.249 55.378 -0.129 1
1 533 . 14 1 1 A 65 65 ALA CB C 62 18.069 17.770 0.299 1
1 534 . 14 1 1 A 65 65 ALA N N 62 119.479 122.864 -3.385 1
1 535 . 14 1 1 A 66 66 GLU H H 63 7.685 7.794 -0.109 1
1 536 . 14 1 1 A 66 66 GLU HA H 63 4.041 4.068 -0.027 1
1 541 . 14 1 1 A 66 66 GLU C C 63 179.701 179.159 0.542 1
1 542 . 14 1 1 A 66 66 GLU CA C 63 59.440 59.536 -0.096 1
1 543 . 14 1 1 A 66 66 GLU CB C 63 29.735 29.404 0.331 1
1 545 . 14 1 1 A 66 66 GLU N N 63 117.981 118.577 -0.596 1
1 546 . 14 1 1 A 67 67 VAL H H 64 7.795 8.326 -0.531 1
1 547 . 14 1 1 A 67 67 VAL HA H 64 3.826 4.350 -0.524 1
1 555 . 14 1 1 A 67 67 VAL C C 64 178.078 177.846 0.232 1
1 556 . 14 1 1 A 67 67 VAL CA C 64 66.262 65.838 0.424 1
1 557 . 14 1 1 A 67 67 VAL CB C 64 31.703 31.211 0.492 1
1 560 . 14 1 1 A 67 67 VAL N N 64 120.422 116.978 3.444 1
1 561 . 14 1 1 A 68 68 LEU H H 65 8.563 8.213 0.350 1
1 562 . 14 1 1 A 68 68 LEU HA H 65 3.897 3.971 -0.074 1
1 572 . 14 1 1 A 68 68 LEU C C 65 180.593 178.349 2.244 1
1 573 . 14 1 1 A 68 68 LEU CA C 65 58.495 58.592 -0.097 1
1 574 . 14 1 1 A 68 68 LEU CB C 65 41.633 41.345 0.288 1
1 578 . 14 1 1 A 68 68 LEU N N 65 119.314 125.014 -5.700 1
1 579 . 14 1 1 A 69 69 GLU H H 66 8.071 7.813 0.258 1
1 580 . 14 1 1 A 69 69 GLU HA H 66 3.947 4.031 -0.084 1
1 585 . 14 1 1 A 69 69 GLU C C 66 178.591 178.420 0.171 1
1 586 . 14 1 1 A 69 69 GLU CA C 66 59.727 59.104 0.623 1
1 587 . 14 1 1 A 69 69 GLU CB C 66 29.549 29.106 0.443 1
1 589 . 14 1 1 A 69 69 GLU N N 66 120.124 118.619 1.505 1
1 590 . 14 1 1 A 70 70 GLU H H 67 7.471 8.015 -0.544 1
1 591 . 14 1 1 A 70 70 GLU HA H 67 4.111 4.108 0.003 1
1 596 . 14 1 1 A 70 70 GLU C C 67 179.873 178.257 1.616 1
1 597 . 14 1 1 A 70 70 GLU CA C 67 59.439 59.253 0.186 1
1 598 . 14 1 1 A 70 70 GLU CB C 67 30.021 29.331 0.690 1
1 600 . 14 1 1 A 70 70 GLU N N 67 119.545 117.716 1.829 1
1 601 . 14 1 1 A 71 71 VAL H H 68 8.790 7.563 1.227 1
1 602 . 14 1 1 A 71 71 VAL HA H 68 4.137 3.905 0.232 1
1 610 . 14 1 1 A 71 71 VAL C C 68 178.818 178.532 0.286 1
1 611 . 14 1 1 A 71 71 VAL CA C 68 64.321 65.619 -1.298 1
1 612 . 14 1 1 A 71 71 VAL CB C 68 31.230 31.622 -0.392 1
1 615 . 14 1 1 A 71 71 VAL N N 68 111.497 116.704 -5.207 1
1 616 . 14 1 1 A 72 72 THR H H 69 8.231 8.275 -0.044 1
1 617 . 14 1 1 A 72 72 THR HA H 69 4.161 4.050 0.111 1
1 622 . 14 1 1 A 72 72 THR C C 69 177.502 176.275 1.227 1
1 623 . 14 1 1 A 72 72 THR CA C 69 66.179 65.895 0.284 1
1 624 . 14 1 1 A 72 72 THR CB C 69 68.770 68.642 0.128 1
1 626 . 14 1 1 A 72 72 THR N N 69 118.078 116.757 1.321 1
1 627 . 14 1 1 A 73 73 ALA H H 70 7.177 8.365 -1.188 1
1 628 . 14 1 1 A 73 73 ALA HA H 70 4.139 4.137 0.002 1
1 632 . 14 1 1 A 73 73 ALA C C 70 179.116 179.687 -0.571 1
1 633 . 14 1 1 A 73 73 ALA CA C 70 54.690 54.556 0.134 1
1 634 . 14 1 1 A 73 73 ALA CB C 70 18.039 18.330 -0.291 1
1 635 . 14 1 1 A 73 73 ALA N N 70 123.757 123.399 0.358 1
1 636 . 14 1 1 A 74 74 ILE H H 71 6.874 7.423 -0.549 1
1 637 . 14 1 1 A 74 74 ILE HA H 71 3.988 4.028 -0.040 1
1 647 . 14 1 1 A 74 74 ILE C C 71 176.201 175.966 0.235 1
1 648 . 14 1 1 A 74 74 ILE CA C 71 61.927 62.142 -0.215 1
1 649 . 14 1 1 A 74 74 ILE CB C 71 38.431 38.710 -0.279 1
1 653 . 14 1 1 A 74 74 ILE N N 71 113.131 115.425 -2.294 1
1 654 . 14 1 1 A 75 75 GLY H H 72 7.476 7.471 0.005 1
1 655 . 14 1 1 A 75 75 GLY HA2 H 72 3.663 3.837 -0.174 1
1 656 . 14 1 1 A 75 75 GLY HA3 H 72 4.166 3.955 0.211 1
1 657 . 14 1 1 A 75 75 GLY C C 72 174.832 173.632 1.200 1
1 658 . 14 1 1 A 75 75 GLY CA C 72 45.144 44.741 0.403 1
1 659 . 14 1 1 A 75 75 GLY N N 72 106.405 108.184 -1.779 1
1 660 . 14 1 1 A 76 76 TYR H H 73 7.340 7.990 -0.650 1
1 661 . 14 1 1 A 76 76 TYR HA H 73 5.184 4.778 0.406 1
1 668 . 14 1 1 A 76 76 TYR C C 73 173.889 174.090 -0.201 1
1 669 . 14 1 1 A 76 76 TYR CA C 73 52.922 55.443 -2.521 1
1 670 . 14 1 1 A 76 76 TYR CB C 73 36.723 38.948 -2.225 1
1 675 . 14 1 1 A 76 76 TYR N N 73 122.416 120.315 2.101 1
1 676 . 14 1 1 A 77 77 PRO HA H 74 4.394 4.396 -0.002 1
1 683 . 14 1 1 A 77 77 PRO C C 74 175.722 176.028 -0.306 1
1 684 . 14 1 1 A 77 77 PRO CA C 74 63.242 63.298 -0.056 1
1 685 . 14 1 1 A 77 77 PRO CB C 74 32.460 32.072 0.388 1
1 688 . 14 1 1 A 78 78 ALA H H 75 7.778 8.513 -0.735 1
1 689 . 14 1 1 A 78 78 ALA HA H 75 5.239 5.471 -0.232 1
1 693 . 14 1 1 A 78 78 ALA C C 75 176.207 175.917 0.290 1
1 694 . 14 1 1 A 78 78 ALA CA C 75 51.422 50.647 0.775 1
1 695 . 14 1 1 A 78 78 ALA CB C 75 25.258 23.415 1.843 1
1 696 . 14 1 1 A 78 78 ALA N N 75 122.638 124.989 -2.351 1
1 697 . 14 1 1 A 79 79 LYS H H 76 9.213 9.400 -0.187 1
1 698 . 14 1 1 A 79 79 LYS HA H 76 4.632 4.933 -0.301 1
1 707 . 14 1 1 A 79 79 LYS C C 76 173.669 175.479 -1.810 1
1 708 . 14 1 1 A 79 79 LYS CA C 76 55.912 54.681 1.231 1
1 709 . 14 1 1 A 79 79 LYS CB C 76 36.309 34.713 1.596 1
1 713 . 14 1 1 A 79 79 LYS N N 76 115.751 119.192 -3.441 1
1 714 . 14 1 1 A 80 80 CYS H H 77 8.602 9.024 -0.422 1
1 715 . 14 1 1 A 80 80 CYS HA H 77 5.535 6.221 -0.686 1
1 718 . 14 1 1 A 80 80 CYS C C 77 174.029 173.153 0.876 1
1 719 . 14 1 1 A 80 80 CYS CA C 77 56.029 54.616 1.413 1
1 720 . 14 1 1 A 80 80 CYS CB C 77 47.796 43.161 4.635 1
1 721 . 14 1 1 A 80 80 CYS N N 77 119.633 122.485 -2.852 1
1 722 . 14 1 1 A 81 81 CYS H H 78 9.428 9.357 0.071 1
1 723 . 14 1 1 A 81 81 CYS HA H 78 5.391 5.370 0.021 1
1 726 . 14 1 1 A 81 81 CYS C C 78 173.980 172.247 1.733 1
1 727 . 14 1 1 A 81 81 CYS CA C 78 54.237 54.639 -0.402 1
1 728 . 14 1 1 A 81 81 CYS CB C 78 47.557 45.734 1.823 1
1 729 . 14 1 1 A 81 81 CYS N N 78 120.091 124.362 -4.271 1
1 730 . 14 1 1 A 82 82 CYS H H 79 9.291 9.057 0.234 1
1 731 . 14 1 1 A 82 82 CYS HA H 79 5.134 5.095 0.039 1
1 734 . 14 1 1 A 82 82 CYS C C 79 172.349 173.519 -1.170 1
1 735 . 14 1 1 A 82 82 CYS CA C 79 56.628 57.327 -0.699 1
1 736 . 14 1 1 A 82 82 CYS CB C 79 46.122 28.596 17.526 1
1 737 . 14 1 1 A 82 82 CYS N N 79 117.137 122.327 -5.190 1
1 738 . 14 1 1 A 83 83 GLU H H 80 7.283 8.636 -1.353 1
1 739 . 14 1 1 A 83 83 GLU HA H 80 4.625 4.625 0.000 1
1 744 . 14 1 1 A 83 83 GLU C C 80 174.435 174.201 0.234 1
1 745 . 14 1 1 A 83 83 GLU CA C 80 54.873 55.794 -0.921 1
1 746 . 14 1 1 A 83 83 GLU CB C 80 33.106 33.423 -0.317 1
1 748 . 14 1 1 A 83 83 GLU N N 80 120.821 126.101 -5.280 1
1 749 . 14 1 1 A 84 84 ASP H H 81 8.433 8.637 -0.204 1
1 750 . 14 1 1 A 84 84 ASP HA H 81 4.956 4.442 0.514 1
1 753 . 14 1 1 A 84 84 ASP C C 81 178.149 176.864 1.285 1
1 754 . 14 1 1 A 84 84 ASP CA C 81 55.409 55.101 0.308 1
1 755 . 14 1 1 A 84 84 ASP CB C 81 40.817 40.485 0.332 1
1 756 . 14 1 1 A 84 84 ASP N N 81 121.789 123.679 -1.890 1
1 757 . 14 1 1 A 85 85 LEU H H 82 9.244 9.197 0.047 1
1 758 . 14 1 1 A 85 85 LEU HA H 82 3.308 3.740 -0.432 1
1 765 . 14 1 1 A 85 85 LEU C C 82 176.858 176.599 0.259 1
1 766 . 14 1 1 A 85 85 LEU CA C 82 56.047 55.996 0.051 1
1 767 . 14 1 1 A 85 85 LEU CB C 82 36.885 39.062 -2.177 1
1 770 . 14 1 1 A 85 85 LEU N N 82 114.422 122.545 -8.123 1
1 771 . 14 1 1 A 86 86 CYS H H 83 8.005 7.901 0.104 1
1 772 . 14 1 1 A 86 86 CYS HA H 83 4.547 4.445 0.102 1
1 775 . 14 1 1 A 86 86 CYS C C 83 174.632 174.637 -0.005 1
1 776 . 14 1 1 A 86 86 CYS CA C 83 57.206 57.830 -0.624 1
1 777 . 14 1 1 A 86 86 CYS CB C 83 47.155 41.873 5.282 1
1 778 . 14 1 1 A 86 86 CYS N N 83 112.558 116.847 -4.289 1
1 779 . 14 1 1 A 87 87 ASN H H 84 8.859 8.243 0.616 1
1 780 . 14 1 1 A 87 87 ASN HA H 84 4.526 4.736 -0.210 1
1 783 . 14 1 1 A 87 87 ASN C C 84 172.146 175.291 -3.145 1
1 784 . 14 1 1 A 87 87 ASN CA C 84 52.617 52.572 0.045 1
1 785 . 14 1 1 A 87 87 ASN CB C 84 36.673 37.679 -1.006 1
1 786 . 14 1 1 A 87 87 ASN N N 84 119.985 115.330 4.655 1
1 787 . 14 1 1 A 88 88 ARG H H 85 7.353 7.627 -0.274 1
1 788 . 14 1 1 A 88 88 ARG HA H 85 3.734 4.430 -0.696 1
1 795 . 14 1 1 A 88 88 ARG C C 85 173.901 175.487 -1.586 1
1 796 . 14 1 1 A 88 88 ARG CA C 85 55.058 55.584 -0.526 1
1 797 . 14 1 1 A 88 88 ARG CB C 85 31.857 31.034 0.823 1
1 800 . 14 1 1 A 88 88 ARG N N 85 118.446 119.062 -0.616 1
1 801 . 14 1 1 A 89 89 SER H H 86 7.987 8.362 -0.375 1
1 802 . 14 1 1 A 89 89 SER HA H 86 3.689 4.546 -0.857 1
1 805 . 14 1 1 A 89 89 SER C C 86 174.342 173.223 1.119 1
1 806 . 14 1 1 A 89 89 SER CA C 86 57.844 56.811 1.033 1
1 807 . 14 1 1 A 89 89 SER CB C 86 63.504 66.936 -3.432 1
1 808 . 14 1 1 A 89 89 SER N N 86 115.514 116.746 -1.232 1
1 809 . 14 1 1 A 90 90 GLU H H 87 8.461 8.739 -0.278 1
1 810 . 14 1 1 A 90 90 GLU HA H 87 4.125 3.817 0.308 1
1 815 . 14 1 1 A 90 90 GLU C C 87 175.632 175.832 -0.200 1
1 816 . 14 1 1 A 90 90 GLU CA C 87 56.799 57.169 -0.370 1
1 817 . 14 1 1 A 90 90 GLU CB C 87 30.049 27.436 2.613 1
1 819 . 14 1 1 A 90 90 GLU N N 87 122.917 118.039 4.878 1
1 16 . 15 1 1 A 22 22 ALA H H 19 8.052 8.535 -0.483 1
1 17 . 15 1 1 A 22 22 ALA HA H 19 4.191 4.658 -0.467 1
1 21 . 15 1 1 A 22 22 ALA C C 19 176.151 176.805 -0.654 1
1 22 . 15 1 1 A 22 22 ALA CA C 19 51.960 51.878 0.082 1
1 23 . 15 1 1 A 22 22 ALA CB C 19 19.784 19.572 0.212 1
1 24 . 15 1 1 A 22 22 ALA N N 19 125.891 126.866 -0.975 1
1 25 . 15 1 1 A 23 23 LEU H H 20 8.117 8.784 -0.667 1
1 26 . 15 1 1 A 23 23 LEU HA H 20 4.273 5.103 -0.830 1
1 36 . 15 1 1 A 23 23 LEU C C 20 174.307 174.579 -0.272 1
1 37 . 15 1 1 A 23 23 LEU CA C 20 54.838 53.536 1.302 1
1 38 . 15 1 1 A 23 23 LEU CB C 20 44.574 46.839 -2.265 1
1 42 . 15 1 1 A 23 23 LEU N N 20 125.488 124.112 1.376 1
1 43 . 15 1 1 A 24 24 LYS H H 21 7.915 9.195 -1.280 1
1 44 . 15 1 1 A 24 24 LYS HA H 21 5.287 5.048 0.239 1
1 53 . 15 1 1 A 24 24 LYS C C 21 175.901 175.499 0.402 1
1 54 . 15 1 1 A 24 24 LYS CA C 21 54.174 55.148 -0.974 1
1 55 . 15 1 1 A 24 24 LYS CB C 21 34.841 33.293 1.548 1
1 59 . 15 1 1 A 24 24 LYS N N 21 122.369 124.269 -1.900 1
1 60 . 15 1 1 A 25 25 CYS H H 22 8.426 8.345 0.081 1
1 61 . 15 1 1 A 25 25 CYS HA H 22 4.886 5.113 -0.227 1
1 64 . 15 1 1 A 25 25 CYS C C 22 175.309 173.128 2.181 1
1 65 . 15 1 1 A 25 25 CYS CA C 22 51.680 55.057 -3.377 1
1 66 . 15 1 1 A 25 25 CYS CB C 22 41.829 45.038 -3.209 1
1 67 . 15 1 1 A 25 25 CYS N N 22 117.505 122.749 -5.244 1
1 68 . 15 1 1 A 26 26 PHE H H 23 8.960 9.092 -0.132 1
1 69 . 15 1 1 A 26 26 PHE HA H 23 5.057 4.865 0.192 1
1 74 . 15 1 1 A 26 26 PHE C C 23 176.694 175.484 1.210 1
1 75 . 15 1 1 A 26 26 PHE CA C 23 60.302 58.253 2.049 1
1 76 . 15 1 1 A 26 26 PHE CB C 23 39.490 40.185 -0.695 1
1 79 . 15 1 1 A 26 26 PHE N N 23 120.038 122.118 -2.080 1
1 80 . 15 1 1 A 27 27 THR H H 24 9.071 8.924 0.147 1
1 81 . 15 1 1 A 27 27 THR HA H 24 4.960 5.079 -0.119 1
1 86 . 15 1 1 A 27 27 THR C C 24 173.722 172.828 0.894 1
1 87 . 15 1 1 A 27 27 THR CA C 24 59.835 59.766 0.069 1
1 88 . 15 1 1 A 27 27 THR CB C 24 71.382 71.581 -0.199 1
1 90 . 15 1 1 A 27 27 THR N N 24 114.266 113.265 1.001 1
1 91 . 15 1 1 A 28 28 ARG H H 25 8.398 8.491 -0.093 1
1 92 . 15 1 1 A 28 28 ARG HA H 25 5.158 4.598 0.560 1
1 99 . 15 1 1 A 28 28 ARG C C 25 175.547 175.038 0.509 1
1 100 . 15 1 1 A 28 28 ARG CA C 25 54.586 56.030 -1.444 1
1 101 . 15 1 1 A 28 28 ARG CB C 25 32.443 30.846 1.597 1
1 104 . 15 1 1 A 28 28 ARG N N 25 123.189 124.102 -0.913 1
1 105 . 15 1 1 A 29 29 ASN H H 26 8.589 8.386 0.203 1
1 106 . 15 1 1 A 29 29 ASN HA H 26 4.938 5.042 -0.104 1
1 109 . 15 1 1 A 29 29 ASN C C 26 175.273 175.481 -0.208 1
1 110 . 15 1 1 A 29 29 ASN CA C 26 52.276 51.817 0.459 1
1 111 . 15 1 1 A 29 29 ASN CB C 26 39.660 40.303 -0.643 1
1 112 . 15 1 1 A 29 29 ASN N N 26 125.242 125.307 -0.065 1
1 113 . 15 1 1 A 30 30 GLY H H 27 9.046 9.028 0.018 1
1 114 . 15 1 1 A 30 30 GLY HA2 H 27 3.649 3.875 -0.226 1
1 115 . 15 1 1 A 30 30 GLY HA3 H 27 3.996 3.876 0.120 1
1 116 . 15 1 1 A 30 30 GLY C C 27 174.707 173.744 0.963 1
1 117 . 15 1 1 A 30 30 GLY CA C 27 46.906 47.290 -0.384 1
1 118 . 15 1 1 A 30 30 GLY N N 27 115.613 115.912 -0.299 1
1 119 . 15 1 1 A 31 31 ASP H H 28 8.956 8.725 0.231 1
1 120 . 15 1 1 A 31 31 ASP HA H 28 4.648 4.944 -0.296 1
1 123 . 15 1 1 A 31 31 ASP C C 28 175.670 175.457 0.213 1
1 124 . 15 1 1 A 31 31 ASP CA C 28 54.939 55.351 -0.412 1
1 125 . 15 1 1 A 31 31 ASP CB C 28 41.505 41.946 -0.441 1
1 126 . 15 1 1 A 31 31 ASP N N 28 126.791 123.798 2.993 1
1 127 . 15 1 1 A 32 32 ASP H H 29 7.973 8.088 -0.115 1
1 128 . 15 1 1 A 32 32 ASP HA H 29 4.778 4.579 0.199 1
1 131 . 15 1 1 A 32 32 ASP C C 29 174.871 175.710 -0.839 1
1 132 . 15 1 1 A 32 32 ASP CA C 29 54.192 53.837 0.355 1
1 133 . 15 1 1 A 32 32 ASP CB C 29 42.663 41.397 1.266 1
1 134 . 15 1 1 A 32 32 ASP N N 29 120.240 120.453 -0.213 1
1 135 . 15 1 1 A 33 33 ARG H H 30 8.682 8.354 0.328 1
1 136 . 15 1 1 A 33 33 ARG HA H 30 5.020 4.596 0.424 1
1 143 . 15 1 1 A 33 33 ARG C C 30 175.569 175.905 -0.336 1
1 144 . 15 1 1 A 33 33 ARG CA C 30 55.487 56.083 -0.596 1
1 145 . 15 1 1 A 33 33 ARG CB C 30 31.962 30.267 1.695 1
1 148 . 15 1 1 A 33 33 ARG N N 30 125.183 121.485 3.698 1
1 149 . 15 1 1 A 34 34 THR H H 31 8.976 9.033 -0.057 1
1 150 . 15 1 1 A 34 34 THR HA H 31 4.764 4.808 -0.044 1
1 155 . 15 1 1 A 34 34 THR C C 31 172.745 174.338 -1.593 1
1 156 . 15 1 1 A 34 34 THR CA C 31 59.891 61.953 -2.062 1
1 157 . 15 1 1 A 34 34 THR CB C 31 71.522 70.593 0.929 1
1 159 . 15 1 1 A 34 34 THR N N 31 120.162 118.553 1.609 1
1 160 . 15 1 1 A 35 35 VAL H H 32 8.286 8.573 -0.287 1
1 161 . 15 1 1 A 35 35 VAL HA H 32 4.110 4.164 -0.054 1
1 169 . 15 1 1 A 35 35 VAL C C 32 175.720 175.625 0.095 1
1 170 . 15 1 1 A 35 35 VAL CA C 32 62.838 63.485 -0.647 1
1 171 . 15 1 1 A 35 35 VAL CB C 32 32.883 31.010 1.873 1
1 174 . 15 1 1 A 35 35 VAL N N 32 122.209 127.789 -5.580 1
1 175 . 15 1 1 A 36 36 THR H H 33 8.749 8.418 0.331 1
1 176 . 15 1 1 A 36 36 THR HA H 33 4.486 5.329 -0.843 1
1 181 . 15 1 1 A 36 36 THR C C 33 173.029 172.695 0.334 1
1 182 . 15 1 1 A 36 36 THR CA C 33 61.029 60.242 0.787 1
1 183 . 15 1 1 A 36 36 THR CB C 33 71.425 71.528 -0.103 1
1 185 . 15 1 1 A 36 36 THR N N 33 125.259 118.347 6.912 1
1 186 . 15 1 1 A 37 37 THR H H 34 8.544 8.824 -0.280 1
1 187 . 15 1 1 A 37 37 THR HA H 34 4.371 4.514 -0.143 1
1 192 . 15 1 1 A 37 37 THR C C 34 173.839 174.237 -0.398 1
1 193 . 15 1 1 A 37 37 THR CA C 34 62.892 61.009 1.883 1
1 194 . 15 1 1 A 37 37 THR CB C 34 68.156 68.737 -0.581 1
1 196 . 15 1 1 A 37 37 THR N N 34 122.774 119.624 3.150 1
1 197 . 15 1 1 A 38 38 CYS H H 35 9.227 9.072 0.155 1
1 198 . 15 1 1 A 38 38 CYS HA H 35 4.516 4.689 -0.173 1
1 201 . 15 1 1 A 38 38 CYS C C 35 174.923 173.665 1.258 1
1 202 . 15 1 1 A 38 38 CYS CA C 35 52.962 55.486 -2.524 1
1 203 . 15 1 1 A 38 38 CYS CB C 35 37.439 44.133 -6.694 1
1 204 . 15 1 1 A 38 38 CYS N N 35 129.056 127.773 1.283 1
1 205 . 15 1 1 A 39 39 ALA H H 36 8.113 8.604 -0.491 1
1 206 . 15 1 1 A 39 39 ALA HA H 36 4.313 4.410 -0.097 1
1 210 . 15 1 1 A 39 39 ALA C C 36 178.809 178.926 -0.117 1
1 211 . 15 1 1 A 39 39 ALA CA C 36 52.125 52.169 -0.044 1
1 212 . 15 1 1 A 39 39 ALA CB C 36 19.235 19.320 -0.085 1
1 213 . 15 1 1 A 39 39 ALA N N 36 122.621 125.057 -2.436 1
1 214 . 15 1 1 A 40 40 GLU H H 37 8.701 8.840 -0.139 1
1 215 . 15 1 1 A 40 40 GLU HA H 37 3.826 4.320 -0.494 1
1 220 . 15 1 1 A 40 40 GLU C C 37 177.999 177.686 0.313 1
1 221 . 15 1 1 A 40 40 GLU CA C 37 60.104 58.563 1.541 1
1 222 . 15 1 1 A 40 40 GLU CB C 37 29.712 29.297 0.415 1
1 224 . 15 1 1 A 40 40 GLU N N 37 120.905 119.711 1.194 1
1 225 . 15 1 1 A 41 41 GLU H H 38 8.870 8.470 0.400 1
1 226 . 15 1 1 A 41 41 GLU HA H 38 4.233 4.152 0.081 1
1 231 . 15 1 1 A 41 41 GLU C C 38 176.790 176.948 -0.158 1
1 232 . 15 1 1 A 41 41 GLU CA C 38 57.438 58.606 -1.168 1
1 233 . 15 1 1 A 41 41 GLU CB C 38 28.813 28.787 0.026 1
1 235 . 15 1 1 A 41 41 GLU N N 38 113.838 119.045 -5.207 1
1 236 . 15 1 1 A 42 42 GLN H H 39 7.935 7.599 0.336 1
1 237 . 15 1 1 A 42 42 GLN HA H 39 4.069 4.573 -0.504 1
1 242 . 15 1 1 A 42 42 GLN C C 39 174.033 176.189 -2.156 1
1 243 . 15 1 1 A 42 42 GLN CA C 39 55.177 54.318 0.859 1
1 244 . 15 1 1 A 42 42 GLN CB C 39 28.144 27.017 1.127 1
1 246 . 15 1 1 A 42 42 GLN N N 39 120.919 119.447 1.472 1
1 247 . 15 1 1 A 43 43 THR H H 40 6.846 7.940 -1.094 1
1 248 . 15 1 1 A 43 43 THR HA H 40 4.340 4.432 -0.092 1
1 253 . 15 1 1 A 43 43 THR C C 40 175.221 173.497 1.724 1
1 254 . 15 1 1 A 43 43 THR CA C 40 60.677 62.047 -1.370 1
1 255 . 15 1 1 A 43 43 THR CB C 40 68.516 69.363 -0.847 1
1 257 . 15 1 1 A 43 43 THR N N 40 109.859 114.890 -5.031 1
1 258 . 15 1 1 A 44 44 ARG H H 41 8.496 7.421 1.075 1
1 259 . 15 1 1 A 44 44 ARG HA H 41 5.001 4.623 0.378 1
1 266 . 15 1 1 A 44 44 ARG C C 41 174.082 175.197 -1.115 1
1 267 . 15 1 1 A 44 44 ARG CA C 41 52.838 54.162 -1.324 1
1 268 . 15 1 1 A 44 44 ARG CB C 41 34.466 33.027 1.439 1
1 271 . 15 1 1 A 44 44 ARG N N 41 122.000 120.336 1.664 1
1 272 . 15 1 1 A 45 45 CYS H H 42 8.814 8.609 0.205 1
1 273 . 15 1 1 A 45 45 CYS HA H 42 5.566 5.196 0.370 1
1 276 . 15 1 1 A 45 45 CYS C C 42 173.806 171.364 2.442 1
1 277 . 15 1 1 A 45 45 CYS CA C 42 51.956 55.104 -3.148 1
1 278 . 15 1 1 A 45 45 CYS CB C 42 38.526 46.117 -7.591 1
1 279 . 15 1 1 A 45 45 CYS N N 42 115.378 118.213 -2.835 1
1 280 . 15 1 1 A 46 46 LEU H H 43 9.234 9.278 -0.044 1
1 281 . 15 1 1 A 46 46 LEU HA H 43 5.382 4.953 0.429 1
1 291 . 15 1 1 A 46 46 LEU C C 43 176.639 175.432 1.207 1
1 292 . 15 1 1 A 46 46 LEU CA C 43 53.739 53.623 0.116 1
1 293 . 15 1 1 A 46 46 LEU CB C 43 46.024 44.362 1.662 1
1 297 . 15 1 1 A 46 46 LEU N N 43 122.940 128.217 -5.277 1
1 298 . 15 1 1 A 47 47 PHE H H 44 9.048 8.800 0.248 1
1 299 . 15 1 1 A 47 47 PHE HA H 44 5.700 5.833 -0.133 1
1 306 . 15 1 1 A 47 47 PHE C C 44 173.708 173.673 0.035 1
1 307 . 15 1 1 A 47 47 PHE CA C 44 56.494 56.852 -0.358 1
1 308 . 15 1 1 A 47 47 PHE CB C 44 44.246 41.889 2.357 1
1 313 . 15 1 1 A 47 47 PHE N N 44 128.522 127.746 0.776 1
1 314 . 15 1 1 A 48 48 VAL H H 45 8.086 9.004 -0.918 1
1 315 . 15 1 1 A 48 48 VAL HA H 45 4.234 4.227 0.007 1
1 323 . 15 1 1 A 48 48 VAL C C 45 173.728 173.918 -0.190 1
1 324 . 15 1 1 A 48 48 VAL CA C 45 61.110 60.650 0.460 1
1 325 . 15 1 1 A 48 48 VAL CB C 45 36.121 32.885 3.236 1
1 328 . 15 1 1 A 48 48 VAL N N 45 124.455 127.379 -2.924 1
1 329 . 15 1 1 A 49 49 GLN H H 46 8.391 9.312 -0.921 1
1 330 . 15 1 1 A 49 49 GLN HA H 46 4.155 4.361 -0.206 1
1 335 . 15 1 1 A 49 49 GLN C C 46 174.214 174.803 -0.589 1
1 336 . 15 1 1 A 49 49 GLN CA C 46 54.491 54.700 -0.209 1
1 337 . 15 1 1 A 49 49 GLN CB C 46 29.986 29.949 0.037 1
1 339 . 15 1 1 A 49 49 GLN N N 46 126.537 126.799 -0.262 1
1 340 . 15 1 1 A 50 50 LEU H H 47 7.646 8.395 -0.749 1
1 341 . 15 1 1 A 50 50 LEU HA H 47 3.856 4.631 -0.775 1
1 351 . 15 1 1 A 50 50 LEU C C 47 175.649 176.801 -1.152 1
1 352 . 15 1 1 A 50 50 LEU CA C 47 53.706 51.571 2.135 1
1 353 . 15 1 1 A 50 50 LEU CB C 47 39.821 42.594 -2.773 1
1 357 . 15 1 1 A 50 50 LEU N N 47 127.637 128.114 -0.477 1
1 358 . 15 1 1 A 51 51 PRO HA H 48 3.921 4.576 -0.655 1
1 365 . 15 1 1 A 51 51 PRO C C 48 177.492 176.861 0.631 1
1 366 . 15 1 1 A 51 51 PRO CA C 48 65.923 63.815 2.108 1
1 367 . 15 1 1 A 51 51 PRO CB C 48 31.509 31.950 -0.441 1
1 370 . 15 1 1 A 52 52 TYR H H 49 7.517 7.801 -0.284 1
1 371 . 15 1 1 A 52 52 TYR HA H 49 4.790 4.822 -0.032 1
1 378 . 15 1 1 A 52 52 TYR C C 49 175.214 175.092 0.122 1
1 379 . 15 1 1 A 52 52 TYR CA C 49 55.767 57.339 -1.572 1
1 380 . 15 1 1 A 52 52 TYR CB C 49 39.277 40.746 -1.469 1
1 385 . 15 1 1 A 52 52 TYR N N 49 109.643 116.656 -7.013 1
1 386 . 15 1 1 A 53 53 SER H H 50 6.986 7.358 -0.372 1
1 387 . 15 1 1 A 53 53 SER HA H 50 4.409 4.862 -0.453 1
1 390 . 15 1 1 A 53 53 SER C C 50 171.925 172.116 -0.191 1
1 391 . 15 1 1 A 53 53 SER CA C 50 57.189 57.105 0.084 1
1 392 . 15 1 1 A 53 53 SER CB C 50 63.786 67.066 -3.280 1
1 393 . 15 1 1 A 53 53 SER N N 50 112.994 115.358 -2.364 1
1 394 . 15 1 1 A 54 54 GLU H H 51 7.890 8.904 -1.014 1
1 395 . 15 1 1 A 54 54 GLU HA H 51 4.903 5.058 -0.155 1
1 400 . 15 1 1 A 54 54 GLU C C 51 175.536 173.882 1.654 1
1 401 . 15 1 1 A 54 54 GLU CA C 51 54.722 54.776 -0.054 1
1 402 . 15 1 1 A 54 54 GLU CB C 51 33.225 33.726 -0.501 1
1 404 . 15 1 1 A 54 54 GLU N N 51 115.330 118.081 -2.751 1
1 405 . 15 1 1 A 55 55 ILE H H 52 8.600 8.558 0.042 1
1 406 . 15 1 1 A 55 55 ILE HA H 52 4.302 4.925 -0.623 1
1 416 . 15 1 1 A 55 55 ILE C C 52 175.783 175.320 0.463 1
1 417 . 15 1 1 A 55 55 ILE CA C 52 60.360 59.632 0.728 1
1 418 . 15 1 1 A 55 55 ILE CB C 52 39.228 40.211 -0.983 1
1 422 . 15 1 1 A 55 55 ILE N N 52 122.129 123.086 -0.957 1
1 423 . 15 1 1 A 56 56 GLN H H 53 8.573 8.711 -0.138 1
1 424 . 15 1 1 A 56 56 GLN HA H 53 5.394 5.825 -0.431 1
1 429 . 15 1 1 A 56 56 GLN C C 53 174.379 174.413 -0.034 1
1 430 . 15 1 1 A 56 56 GLN CA C 53 54.790 54.721 0.069 1
1 431 . 15 1 1 A 56 56 GLN CB C 53 33.315 32.433 0.882 1
1 433 . 15 1 1 A 56 56 GLN N N 53 126.768 125.174 1.594 1
1 434 . 15 1 1 A 57 57 GLU H H 54 7.782 9.071 -1.289 1
1 435 . 15 1 1 A 57 57 GLU HA H 54 4.967 4.906 0.061 1
1 440 . 15 1 1 A 57 57 GLU C C 54 176.345 174.969 1.376 1
1 441 . 15 1 1 A 57 57 GLU CA C 54 55.405 54.603 0.802 1
1 442 . 15 1 1 A 57 57 GLU CB C 54 36.080 33.883 2.197 1
1 444 . 15 1 1 A 57 57 GLU N N 54 117.990 121.842 -3.852 1
1 445 . 15 1 1 A 58 58 CYS H H 55 8.780 8.476 0.304 1
1 446 . 15 1 1 A 58 58 CYS HA H 55 5.145 5.435 -0.290 1
1 449 . 15 1 1 A 58 58 CYS C C 55 175.293 173.203 2.090 1
1 450 . 15 1 1 A 58 58 CYS CA C 55 57.749 54.403 3.346 1
1 451 . 15 1 1 A 58 58 CYS CB C 55 45.523 43.614 1.909 1
1 452 . 15 1 1 A 58 58 CYS N N 55 119.662 119.033 0.629 1
1 453 . 15 1 1 A 59 59 LYS H H 56 9.277 8.425 0.852 1
1 454 . 15 1 1 A 59 59 LYS HA H 56 4.896 4.868 0.028 1
1 463 . 15 1 1 A 59 59 LYS C C 56 176.049 176.385 -0.336 1
1 464 . 15 1 1 A 59 59 LYS CA C 56 53.903 54.509 -0.606 1
1 465 . 15 1 1 A 59 59 LYS CB C 56 40.637 36.384 4.253 1
1 469 . 15 1 1 A 59 59 LYS N N 56 120.535 124.319 -3.784 1
1 470 . 15 1 1 A 60 60 THR H H 57 7.997 8.770 -0.773 1
1 471 . 15 1 1 A 60 60 THR HA H 57 4.876 4.484 0.392 1
1 476 . 15 1 1 A 60 60 THR C C 57 175.637 176.306 -0.669 1
1 477 . 15 1 1 A 60 60 THR CA C 57 61.017 61.329 -0.312 1
1 478 . 15 1 1 A 60 60 THR CB C 57 70.774 70.463 0.311 1
1 480 . 15 1 1 A 60 60 THR N N 57 108.910 114.258 -5.348 1
1 481 . 15 1 1 A 61 61 VAL H H 58 8.689 8.775 -0.086 1
1 482 . 15 1 1 A 61 61 VAL HA H 58 3.477 3.668 -0.191 1
1 490 . 15 1 1 A 61 61 VAL C C 58 178.541 177.503 1.038 1
1 491 . 15 1 1 A 61 61 VAL CA C 58 67.024 67.229 -0.205 1
1 492 . 15 1 1 A 61 61 VAL CB C 58 31.751 31.858 -0.107 1
1 495 . 15 1 1 A 61 61 VAL N N 58 121.313 122.824 -1.511 1
1 496 . 15 1 1 A 62 62 GLN H H 59 8.564 8.018 0.546 1
1 497 . 15 1 1 A 62 62 GLN HA H 59 4.062 3.993 0.069 1
1 502 . 15 1 1 A 62 62 GLN C C 59 178.871 178.460 0.411 1
1 503 . 15 1 1 A 62 62 GLN CA C 59 58.993 59.090 -0.097 1
1 504 . 15 1 1 A 62 62 GLN CB C 59 28.085 28.432 -0.347 1
1 506 . 15 1 1 A 62 62 GLN N N 59 119.395 119.434 -0.039 1
1 507 . 15 1 1 A 63 63 GLN H H 60 7.644 8.041 -0.397 1
1 508 . 15 1 1 A 63 63 GLN HA H 60 4.082 4.666 -0.584 1
1 513 . 15 1 1 A 63 63 GLN C C 60 179.023 178.130 0.893 1
1 514 . 15 1 1 A 63 63 GLN CA C 60 58.106 59.139 -1.033 1
1 515 . 15 1 1 A 63 63 GLN CB C 60 29.283 27.926 1.357 1
1 517 . 15 1 1 A 63 63 GLN N N 60 116.638 117.955 -1.317 1
1 518 . 15 1 1 A 64 64 CYS H H 61 8.543 8.489 0.054 1
1 519 . 15 1 1 A 64 64 CYS HA H 61 3.951 4.401 -0.450 1
1 522 . 15 1 1 A 64 64 CYS C C 61 176.171 176.286 -0.115 1
1 523 . 15 1 1 A 64 64 CYS CA C 61 64.735 58.897 5.838 1
1 524 . 15 1 1 A 64 64 CYS CB C 61 40.828 42.036 -1.208 1
1 525 . 15 1 1 A 64 64 CYS N N 61 118.614 118.196 0.418 1
1 526 . 15 1 1 A 65 65 ALA H H 62 7.791 7.976 -0.185 1
1 527 . 15 1 1 A 65 65 ALA HA H 62 4.021 4.049 -0.028 1
1 531 . 15 1 1 A 65 65 ALA C C 62 180.353 179.346 1.007 1
1 532 . 15 1 1 A 65 65 ALA CA C 62 55.249 55.194 0.055 1
1 533 . 15 1 1 A 65 65 ALA CB C 62 18.069 18.363 -0.294 1
1 534 . 15 1 1 A 65 65 ALA N N 62 119.479 122.897 -3.418 1
1 535 . 15 1 1 A 66 66 GLU H H 63 7.685 8.381 -0.696 1
1 536 . 15 1 1 A 66 66 GLU HA H 63 4.041 4.057 -0.016 1
1 541 . 15 1 1 A 66 66 GLU C C 63 179.701 179.167 0.534 1
1 542 . 15 1 1 A 66 66 GLU CA C 63 59.440 59.651 -0.211 1
1 543 . 15 1 1 A 66 66 GLU CB C 63 29.735 29.383 0.352 1
1 545 . 15 1 1 A 66 66 GLU N N 63 117.981 118.652 -0.671 1
1 546 . 15 1 1 A 67 67 VAL H H 64 7.795 8.189 -0.394 1
1 547 . 15 1 1 A 67 67 VAL HA H 64 3.826 4.469 -0.643 1
1 555 . 15 1 1 A 67 67 VAL C C 64 178.078 178.022 0.056 1
1 556 . 15 1 1 A 67 67 VAL CA C 64 66.262 65.809 0.453 1
1 557 . 15 1 1 A 67 67 VAL CB C 64 31.703 31.209 0.494 1
1 560 . 15 1 1 A 67 67 VAL N N 64 120.422 116.751 3.671 1
1 561 . 15 1 1 A 68 68 LEU H H 65 8.563 8.288 0.275 1
1 562 . 15 1 1 A 68 68 LEU HA H 65 3.897 3.962 -0.065 1
1 572 . 15 1 1 A 68 68 LEU C C 65 180.593 178.293 2.300 1
1 573 . 15 1 1 A 68 68 LEU CA C 65 58.495 58.809 -0.314 1
1 574 . 15 1 1 A 68 68 LEU CB C 65 41.633 41.636 -0.003 1
1 578 . 15 1 1 A 68 68 LEU N N 65 119.314 125.191 -5.877 1
1 579 . 15 1 1 A 69 69 GLU H H 66 8.071 8.049 0.022 1
1 580 . 15 1 1 A 69 69 GLU HA H 66 3.947 4.052 -0.105 1
1 585 . 15 1 1 A 69 69 GLU C C 66 178.591 178.529 0.062 1
1 586 . 15 1 1 A 69 69 GLU CA C 66 59.727 59.082 0.645 1
1 587 . 15 1 1 A 69 69 GLU CB C 66 29.549 28.918 0.631 1
1 589 . 15 1 1 A 69 69 GLU N N 66 120.124 118.699 1.425 1
1 590 . 15 1 1 A 70 70 GLU H H 67 7.471 8.127 -0.656 1
1 591 . 15 1 1 A 70 70 GLU HA H 67 4.111 4.106 0.005 1
1 596 . 15 1 1 A 70 70 GLU C C 67 179.873 178.353 1.520 1
1 597 . 15 1 1 A 70 70 GLU CA C 67 59.439 59.264 0.175 1
1 598 . 15 1 1 A 70 70 GLU CB C 67 30.021 29.218 0.803 1
1 600 . 15 1 1 A 70 70 GLU N N 67 119.545 117.734 1.811 1
1 601 . 15 1 1 A 71 71 VAL H H 68 8.790 7.401 1.389 1
1 602 . 15 1 1 A 71 71 VAL HA H 68 4.137 3.892 0.245 1
1 610 . 15 1 1 A 71 71 VAL C C 68 178.818 178.373 0.445 1
1 611 . 15 1 1 A 71 71 VAL CA C 68 64.321 65.376 -1.055 1
1 612 . 15 1 1 A 71 71 VAL CB C 68 31.230 31.589 -0.359 1
1 615 . 15 1 1 A 71 71 VAL N N 68 111.497 116.906 -5.409 1
1 616 . 15 1 1 A 72 72 THR H H 69 8.231 8.366 -0.135 1
1 617 . 15 1 1 A 72 72 THR HA H 69 4.161 4.431 -0.270 1
1 622 . 15 1 1 A 72 72 THR C C 69 177.502 176.938 0.564 1
1 623 . 15 1 1 A 72 72 THR CA C 69 66.179 65.552 0.627 1
1 624 . 15 1 1 A 72 72 THR CB C 69 68.770 68.684 0.086 1
1 626 . 15 1 1 A 72 72 THR N N 69 118.078 116.971 1.107 1
1 627 . 15 1 1 A 73 73 ALA H H 70 7.177 8.375 -1.198 1
1 628 . 15 1 1 A 73 73 ALA HA H 70 4.139 4.205 -0.066 1
1 632 . 15 1 1 A 73 73 ALA C C 70 179.116 179.290 -0.174 1
1 633 . 15 1 1 A 73 73 ALA CA C 70 54.690 54.375 0.315 1
1 634 . 15 1 1 A 73 73 ALA CB C 70 18.039 18.451 -0.412 1
1 635 . 15 1 1 A 73 73 ALA N N 70 123.757 122.984 0.773 1
1 636 . 15 1 1 A 74 74 ILE H H 71 6.874 7.292 -0.418 1
1 637 . 15 1 1 A 74 74 ILE HA H 71 3.988 4.073 -0.085 1
1 647 . 15 1 1 A 74 74 ILE C C 71 176.201 175.960 0.241 1
1 648 . 15 1 1 A 74 74 ILE CA C 71 61.927 61.820 0.107 1
1 649 . 15 1 1 A 74 74 ILE CB C 71 38.431 38.570 -0.139 1
1 653 . 15 1 1 A 74 74 ILE N N 71 113.131 115.473 -2.342 1
1 654 . 15 1 1 A 75 75 GLY H H 72 7.476 7.782 -0.306 1
1 655 . 15 1 1 A 75 75 GLY HA2 H 72 3.663 3.830 -0.167 1
1 656 . 15 1 1 A 75 75 GLY HA3 H 72 4.166 3.930 0.236 1
1 657 . 15 1 1 A 75 75 GLY C C 72 174.832 173.754 1.078 1
1 658 . 15 1 1 A 75 75 GLY CA C 72 45.144 44.798 0.346 1
1 659 . 15 1 1 A 75 75 GLY N N 72 106.405 108.095 -1.690 1
1 660 . 15 1 1 A 76 76 TYR H H 73 7.340 7.644 -0.304 1
1 661 . 15 1 1 A 76 76 TYR HA H 73 5.184 4.636 0.548 1
1 668 . 15 1 1 A 76 76 TYR C C 73 173.889 174.359 -0.470 1
1 669 . 15 1 1 A 76 76 TYR CA C 73 52.922 56.194 -3.272 1
1 670 . 15 1 1 A 76 76 TYR CB C 73 36.723 38.692 -1.969 1
1 675 . 15 1 1 A 76 76 TYR N N 73 122.416 120.454 1.962 1
1 676 . 15 1 1 A 77 77 PRO HA H 74 4.394 4.434 -0.040 1
1 683 . 15 1 1 A 77 77 PRO C C 74 175.722 176.127 -0.405 1
1 684 . 15 1 1 A 77 77 PRO CA C 74 63.242 63.218 0.024 1
1 685 . 15 1 1 A 77 77 PRO CB C 74 32.460 32.162 0.298 1
1 688 . 15 1 1 A 78 78 ALA H H 75 7.778 8.386 -0.608 1
1 689 . 15 1 1 A 78 78 ALA HA H 75 5.239 4.924 0.315 1
1 693 . 15 1 1 A 78 78 ALA C C 75 176.207 175.734 0.473 1
1 694 . 15 1 1 A 78 78 ALA CA C 75 51.422 50.818 0.604 1
1 695 . 15 1 1 A 78 78 ALA CB C 75 25.258 24.158 1.100 1
1 696 . 15 1 1 A 78 78 ALA N N 75 122.638 123.351 -0.713 1
1 697 . 15 1 1 A 79 79 LYS H H 76 9.213 9.153 0.060 1
1 698 . 15 1 1 A 79 79 LYS HA H 76 4.632 5.175 -0.543 1
1 707 . 15 1 1 A 79 79 LYS C C 76 173.669 174.948 -1.279 1
1 708 . 15 1 1 A 79 79 LYS CA C 76 55.912 54.659 1.253 1
1 709 . 15 1 1 A 79 79 LYS CB C 76 36.309 36.319 -0.010 1
1 713 . 15 1 1 A 79 79 LYS N N 76 115.751 116.210 -0.459 1
1 714 . 15 1 1 A 80 80 CYS H H 77 8.602 8.771 -0.169 1
1 715 . 15 1 1 A 80 80 CYS HA H 77 5.535 5.608 -0.073 1
1 718 . 15 1 1 A 80 80 CYS C C 77 174.029 172.385 1.644 1
1 719 . 15 1 1 A 80 80 CYS CA C 77 56.029 55.819 0.210 1
1 720 . 15 1 1 A 80 80 CYS CB C 77 47.796 43.392 4.404 1
1 721 . 15 1 1 A 80 80 CYS N N 77 119.633 117.325 2.308 1
1 722 . 15 1 1 A 81 81 CYS H H 78 9.428 8.880 0.548 1
1 723 . 15 1 1 A 81 81 CYS HA H 78 5.391 5.536 -0.145 1
1 726 . 15 1 1 A 81 81 CYS C C 78 173.980 172.077 1.903 1
1 727 . 15 1 1 A 81 81 CYS CA C 78 54.237 53.714 0.523 1
1 728 . 15 1 1 A 81 81 CYS CB C 78 47.557 45.645 1.912 1
1 729 . 15 1 1 A 81 81 CYS N N 78 120.091 124.649 -4.558 1
1 730 . 15 1 1 A 82 82 CYS H H 79 9.291 8.820 0.471 1
1 731 . 15 1 1 A 82 82 CYS HA H 79 5.134 5.085 0.049 1
1 734 . 15 1 1 A 82 82 CYS C C 79 172.349 173.395 -1.046 1
1 735 . 15 1 1 A 82 82 CYS CA C 79 56.628 57.261 -0.633 1
1 736 . 15 1 1 A 82 82 CYS CB C 79 46.122 28.355 17.767 1
1 737 . 15 1 1 A 82 82 CYS N N 79 117.137 121.176 -4.039 1
1 738 . 15 1 1 A 83 83 GLU H H 80 7.283 8.595 -1.312 1
1 739 . 15 1 1 A 83 83 GLU HA H 80 4.625 4.667 -0.042 1
1 744 . 15 1 1 A 83 83 GLU C C 80 174.435 174.522 -0.087 1
1 745 . 15 1 1 A 83 83 GLU CA C 80 54.873 56.202 -1.329 1
1 746 . 15 1 1 A 83 83 GLU CB C 80 33.106 33.517 -0.411 1
1 748 . 15 1 1 A 83 83 GLU N N 80 120.821 126.356 -5.535 1
1 749 . 15 1 1 A 84 84 ASP H H 81 8.433 8.709 -0.276 1
1 750 . 15 1 1 A 84 84 ASP HA H 81 4.956 4.300 0.656 1
1 753 . 15 1 1 A 84 84 ASP C C 81 178.149 176.641 1.508 1
1 754 . 15 1 1 A 84 84 ASP CA C 81 55.409 55.273 0.136 1
1 755 . 15 1 1 A 84 84 ASP CB C 81 40.817 40.725 0.092 1
1 756 . 15 1 1 A 84 84 ASP N N 81 121.789 124.384 -2.595 1
1 757 . 15 1 1 A 85 85 LEU H H 82 9.244 8.889 0.355 1
1 758 . 15 1 1 A 85 85 LEU HA H 82 3.308 3.283 0.025 1
1 765 . 15 1 1 A 85 85 LEU C C 82 176.858 176.437 0.421 1
1 766 . 15 1 1 A 85 85 LEU CA C 82 56.047 56.139 -0.092 1
1 767 . 15 1 1 A 85 85 LEU CB C 82 36.885 39.411 -2.526 1
1 770 . 15 1 1 A 85 85 LEU N N 82 114.422 117.876 -3.454 1
1 771 . 15 1 1 A 86 86 CYS H H 83 8.005 7.709 0.296 1
1 772 . 15 1 1 A 86 86 CYS HA H 83 4.547 4.481 0.066 1
1 775 . 15 1 1 A 86 86 CYS C C 83 174.632 174.279 0.353 1
1 776 . 15 1 1 A 86 86 CYS CA C 83 57.206 56.977 0.229 1
1 777 . 15 1 1 A 86 86 CYS CB C 83 47.155 42.218 4.937 1
1 778 . 15 1 1 A 86 86 CYS N N 83 112.558 116.573 -4.015 1
1 779 . 15 1 1 A 87 87 ASN H H 84 8.859 8.455 0.404 1
1 780 . 15 1 1 A 87 87 ASN HA H 84 4.526 4.771 -0.245 1
1 783 . 15 1 1 A 87 87 ASN C C 84 172.146 175.253 -3.107 1
1 784 . 15 1 1 A 87 87 ASN CA C 84 52.617 52.363 0.254 1
1 785 . 15 1 1 A 87 87 ASN CB C 84 36.673 37.843 -1.170 1
1 786 . 15 1 1 A 87 87 ASN N N 84 119.985 115.374 4.611 1
1 787 . 15 1 1 A 88 88 ARG H H 85 7.353 7.350 0.003 1
1 788 . 15 1 1 A 88 88 ARG HA H 85 3.734 4.422 -0.688 1
1 795 . 15 1 1 A 88 88 ARG C C 85 173.901 175.386 -1.485 1
1 796 . 15 1 1 A 88 88 ARG CA C 85 55.058 55.417 -0.359 1
1 797 . 15 1 1 A 88 88 ARG CB C 85 31.857 31.247 0.610 1
1 800 . 15 1 1 A 88 88 ARG N N 85 118.446 118.787 -0.341 1
1 801 . 15 1 1 A 89 89 SER H H 86 7.987 8.623 -0.636 1
1 802 . 15 1 1 A 89 89 SER HA H 86 3.689 3.915 -0.226 1
1 805 . 15 1 1 A 89 89 SER C C 86 174.342 174.016 0.326 1
1 806 . 15 1 1 A 89 89 SER CA C 86 57.844 59.876 -2.032 1
1 807 . 15 1 1 A 89 89 SER CB C 86 63.504 63.473 0.031 1
1 808 . 15 1 1 A 89 89 SER N N 86 115.514 117.224 -1.710 1
1 809 . 15 1 1 A 90 90 GLU H H 87 8.461 8.913 -0.452 1
1 810 . 15 1 1 A 90 90 GLU HA H 87 4.125 3.993 0.132 1
1 815 . 15 1 1 A 90 90 GLU C C 87 175.632 176.833 -1.201 1
1 816 . 15 1 1 A 90 90 GLU CA C 87 56.799 58.966 -2.167 1
1 817 . 15 1 1 A 90 90 GLU CB C 87 30.049 30.038 0.011 1
1 819 . 15 1 1 A 90 90 GLU N N 87 122.917 125.291 -2.374 1
1 16 . 16 1 1 A 22 22 ALA H H 19 8.052 8.375 -0.323 1
1 17 . 16 1 1 A 22 22 ALA HA H 19 4.191 4.470 -0.279 1
1 21 . 16 1 1 A 22 22 ALA C C 19 176.151 176.875 -0.724 1
1 22 . 16 1 1 A 22 22 ALA CA C 19 51.960 52.059 -0.099 1
1 23 . 16 1 1 A 22 22 ALA CB C 19 19.784 19.632 0.152 1
1 24 . 16 1 1 A 22 22 ALA N N 19 125.891 125.033 0.858 1
1 25 . 16 1 1 A 23 23 LEU H H 20 8.117 8.864 -0.747 1
1 26 . 16 1 1 A 23 23 LEU HA H 20 4.273 5.213 -0.940 1
1 36 . 16 1 1 A 23 23 LEU C C 20 174.307 174.549 -0.242 1
1 37 . 16 1 1 A 23 23 LEU CA C 20 54.838 53.408 1.430 1
1 38 . 16 1 1 A 23 23 LEU CB C 20 44.574 45.609 -1.035 1
1 42 . 16 1 1 A 23 23 LEU N N 20 125.488 122.745 2.743 1
1 43 . 16 1 1 A 24 24 LYS H H 21 7.915 9.089 -1.174 1
1 44 . 16 1 1 A 24 24 LYS HA H 21 5.287 5.210 0.077 1
1 53 . 16 1 1 A 24 24 LYS C C 21 175.901 175.467 0.434 1
1 54 . 16 1 1 A 24 24 LYS CA C 21 54.174 55.230 -1.056 1
1 55 . 16 1 1 A 24 24 LYS CB C 21 34.841 33.172 1.669 1
1 59 . 16 1 1 A 24 24 LYS N N 21 122.369 125.224 -2.855 1
1 60 . 16 1 1 A 25 25 CYS H H 22 8.426 8.163 0.263 1
1 61 . 16 1 1 A 25 25 CYS HA H 22 4.886 5.042 -0.156 1
1 64 . 16 1 1 A 25 25 CYS C C 22 175.309 173.771 1.538 1
1 65 . 16 1 1 A 25 25 CYS CA C 22 51.680 55.188 -3.508 1
1 66 . 16 1 1 A 25 25 CYS CB C 22 41.829 44.745 -2.916 1
1 67 . 16 1 1 A 25 25 CYS N N 22 117.505 122.901 -5.396 1
1 68 . 16 1 1 A 26 26 PHE H H 23 8.960 8.615 0.345 1
1 69 . 16 1 1 A 26 26 PHE HA H 23 5.057 4.931 0.126 1
1 74 . 16 1 1 A 26 26 PHE C C 23 176.694 175.389 1.305 1
1 75 . 16 1 1 A 26 26 PHE CA C 23 60.302 58.718 1.584 1
1 76 . 16 1 1 A 26 26 PHE CB C 23 39.490 39.093 0.397 1
1 79 . 16 1 1 A 26 26 PHE N N 23 120.038 122.088 -2.050 1
1 80 . 16 1 1 A 27 27 THR H H 24 9.071 9.038 0.033 1
1 81 . 16 1 1 A 27 27 THR HA H 24 4.960 4.694 0.266 1
1 86 . 16 1 1 A 27 27 THR C C 24 173.722 173.369 0.353 1
1 87 . 16 1 1 A 27 27 THR CA C 24 59.835 61.725 -1.890 1
1 88 . 16 1 1 A 27 27 THR CB C 24 71.382 69.866 1.516 1
1 90 . 16 1 1 A 27 27 THR N N 24 114.266 119.311 -5.045 1
1 91 . 16 1 1 A 28 28 ARG H H 25 8.398 8.464 -0.066 1
1 92 . 16 1 1 A 28 28 ARG HA H 25 5.158 5.022 0.136 1
1 99 . 16 1 1 A 28 28 ARG C C 25 175.547 175.302 0.245 1
1 100 . 16 1 1 A 28 28 ARG CA C 25 54.586 55.614 -1.028 1
1 101 . 16 1 1 A 28 28 ARG CB C 25 32.443 31.311 1.132 1
1 104 . 16 1 1 A 28 28 ARG N N 25 123.189 127.404 -4.215 1
1 105 . 16 1 1 A 29 29 ASN H H 26 8.589 9.087 -0.498 1
1 106 . 16 1 1 A 29 29 ASN HA H 26 4.938 5.052 -0.114 1
1 109 . 16 1 1 A 29 29 ASN C C 26 175.273 175.478 -0.205 1
1 110 . 16 1 1 A 29 29 ASN CA C 26 52.276 52.402 -0.126 1
1 111 . 16 1 1 A 29 29 ASN CB C 26 39.660 39.071 0.589 1
1 112 . 16 1 1 A 29 29 ASN N N 26 125.242 125.652 -0.410 1
1 113 . 16 1 1 A 30 30 GLY H H 27 9.046 8.442 0.604 1
1 114 . 16 1 1 A 30 30 GLY HA2 H 27 3.649 3.865 -0.216 1
1 115 . 16 1 1 A 30 30 GLY HA3 H 27 3.996 3.865 0.131 1
1 116 . 16 1 1 A 30 30 GLY C C 27 174.707 174.257 0.450 1
1 117 . 16 1 1 A 30 30 GLY CA C 27 46.906 47.313 -0.407 1
1 118 . 16 1 1 A 30 30 GLY N N 27 115.613 115.491 0.122 1
1 119 . 16 1 1 A 31 31 ASP H H 28 8.956 8.861 0.095 1
1 120 . 16 1 1 A 31 31 ASP HA H 28 4.648 4.932 -0.284 1
1 123 . 16 1 1 A 31 31 ASP C C 28 175.670 175.812 -0.142 1
1 124 . 16 1 1 A 31 31 ASP CA C 28 54.939 55.059 -0.120 1
1 125 . 16 1 1 A 31 31 ASP CB C 28 41.505 43.698 -2.193 1
1 126 . 16 1 1 A 31 31 ASP N N 28 126.791 124.813 1.978 1
1 127 . 16 1 1 A 32 32 ASP H H 29 7.973 7.767 0.206 1
1 128 . 16 1 1 A 32 32 ASP HA H 29 4.778 4.403 0.375 1
1 131 . 16 1 1 A 32 32 ASP C C 29 174.871 175.943 -1.072 1
1 132 . 16 1 1 A 32 32 ASP CA C 29 54.192 54.624 -0.432 1
1 133 . 16 1 1 A 32 32 ASP CB C 29 42.663 41.691 0.972 1
1 134 . 16 1 1 A 32 32 ASP N N 29 120.240 119.617 0.623 1
1 135 . 16 1 1 A 33 33 ARG H H 30 8.682 8.705 -0.023 1
1 136 . 16 1 1 A 33 33 ARG HA H 30 5.020 4.829 0.191 1
1 143 . 16 1 1 A 33 33 ARG C C 30 175.569 174.937 0.632 1
1 144 . 16 1 1 A 33 33 ARG CA C 30 55.487 54.915 0.572 1
1 145 . 16 1 1 A 33 33 ARG CB C 30 31.962 31.429 0.533 1
1 148 . 16 1 1 A 33 33 ARG N N 30 125.183 124.664 0.519 1
1 149 . 16 1 1 A 34 34 THR H H 31 8.976 9.238 -0.262 1
1 150 . 16 1 1 A 34 34 THR HA H 31 4.764 4.843 -0.079 1
1 155 . 16 1 1 A 34 34 THR C C 31 172.745 174.455 -1.710 1
1 156 . 16 1 1 A 34 34 THR CA C 31 59.891 61.948 -2.057 1
1 157 . 16 1 1 A 34 34 THR CB C 31 71.522 70.491 1.031 1
1 159 . 16 1 1 A 34 34 THR N N 31 120.162 121.112 -0.950 1
1 160 . 16 1 1 A 35 35 VAL H H 32 8.286 8.683 -0.397 1
1 161 . 16 1 1 A 35 35 VAL HA H 32 4.110 4.238 -0.128 1
1 169 . 16 1 1 A 35 35 VAL C C 32 175.720 175.579 0.141 1
1 170 . 16 1 1 A 35 35 VAL CA C 32 62.838 63.422 -0.584 1
1 171 . 16 1 1 A 35 35 VAL CB C 32 32.883 31.095 1.788 1
1 174 . 16 1 1 A 35 35 VAL N N 32 122.209 127.196 -4.987 1
1 175 . 16 1 1 A 36 36 THR H H 33 8.749 8.524 0.225 1
1 176 . 16 1 1 A 36 36 THR HA H 33 4.486 5.382 -0.896 1
1 181 . 16 1 1 A 36 36 THR C C 33 173.029 172.561 0.468 1
1 182 . 16 1 1 A 36 36 THR CA C 33 61.029 59.979 1.050 1
1 183 . 16 1 1 A 36 36 THR CB C 33 71.425 71.737 -0.312 1
1 185 . 16 1 1 A 36 36 THR N N 33 125.259 118.472 6.787 1
1 186 . 16 1 1 A 37 37 THR H H 34 8.544 8.830 -0.286 1
1 187 . 16 1 1 A 37 37 THR HA H 34 4.371 4.549 -0.178 1
1 192 . 16 1 1 A 37 37 THR C C 34 173.839 173.152 0.687 1
1 193 . 16 1 1 A 37 37 THR CA C 34 62.892 60.926 1.966 1
1 194 . 16 1 1 A 37 37 THR CB C 34 68.156 69.127 -0.971 1
1 196 . 16 1 1 A 37 37 THR N N 34 122.774 119.251 3.523 1
1 197 . 16 1 1 A 38 38 CYS H H 35 9.227 9.396 -0.169 1
1 198 . 16 1 1 A 38 38 CYS HA H 35 4.516 5.107 -0.591 1
1 201 . 16 1 1 A 38 38 CYS C C 35 174.923 173.633 1.290 1
1 202 . 16 1 1 A 38 38 CYS CA C 35 52.962 54.830 -1.868 1
1 203 . 16 1 1 A 38 38 CYS CB C 35 37.439 44.524 -7.085 1
1 204 . 16 1 1 A 38 38 CYS N N 35 129.056 127.253 1.803 1
1 205 . 16 1 1 A 39 39 ALA H H 36 8.113 8.706 -0.593 1
1 206 . 16 1 1 A 39 39 ALA HA H 36 4.313 4.435 -0.122 1
1 210 . 16 1 1 A 39 39 ALA C C 36 178.809 178.781 0.028 1
1 211 . 16 1 1 A 39 39 ALA CA C 36 52.125 52.105 0.020 1
1 212 . 16 1 1 A 39 39 ALA CB C 36 19.235 19.384 -0.149 1
1 213 . 16 1 1 A 39 39 ALA N N 36 122.621 124.903 -2.282 1
1 214 . 16 1 1 A 40 40 GLU H H 37 8.701 8.864 -0.163 1
1 215 . 16 1 1 A 40 40 GLU HA H 37 3.826 3.993 -0.167 1
1 220 . 16 1 1 A 40 40 GLU C C 37 177.999 178.844 -0.845 1
1 221 . 16 1 1 A 40 40 GLU CA C 37 60.104 58.692 1.412 1
1 222 . 16 1 1 A 40 40 GLU CB C 37 29.712 29.168 0.544 1
1 224 . 16 1 1 A 40 40 GLU N N 37 120.905 120.138 0.767 1
1 225 . 16 1 1 A 41 41 GLU H H 38 8.870 8.163 0.707 1
1 226 . 16 1 1 A 41 41 GLU HA H 38 4.233 4.010 0.223 1
1 231 . 16 1 1 A 41 41 GLU C C 38 176.790 177.150 -0.360 1
1 232 . 16 1 1 A 41 41 GLU CA C 38 57.438 59.570 -2.132 1
1 233 . 16 1 1 A 41 41 GLU CB C 38 28.813 29.191 -0.378 1
1 235 . 16 1 1 A 41 41 GLU N N 38 113.838 120.530 -6.692 1
1 236 . 16 1 1 A 42 42 GLN H H 39 7.935 8.186 -0.251 1
1 237 . 16 1 1 A 42 42 GLN HA H 39 4.069 4.574 -0.505 1
1 242 . 16 1 1 A 42 42 GLN C C 39 174.033 175.939 -1.906 1
1 243 . 16 1 1 A 42 42 GLN CA C 39 55.177 54.283 0.894 1
1 244 . 16 1 1 A 42 42 GLN CB C 39 28.144 26.929 1.215 1
1 246 . 16 1 1 A 42 42 GLN N N 39 120.919 117.169 3.750 1
1 247 . 16 1 1 A 43 43 THR H H 40 6.846 7.615 -0.769 1
1 248 . 16 1 1 A 43 43 THR HA H 40 4.340 4.422 -0.082 1
1 253 . 16 1 1 A 43 43 THR C C 40 175.221 173.945 1.276 1
1 254 . 16 1 1 A 43 43 THR CA C 40 60.677 62.149 -1.472 1
1 255 . 16 1 1 A 43 43 THR CB C 40 68.516 68.978 -0.462 1
1 257 . 16 1 1 A 43 43 THR N N 40 109.859 114.091 -4.232 1
1 258 . 16 1 1 A 44 44 ARG H H 41 8.496 7.149 1.347 1
1 259 . 16 1 1 A 44 44 ARG HA H 41 5.001 4.778 0.223 1
1 266 . 16 1 1 A 44 44 ARG C C 41 174.082 174.120 -0.038 1
1 267 . 16 1 1 A 44 44 ARG CA C 41 52.838 54.361 -1.523 1
1 268 . 16 1 1 A 44 44 ARG CB C 41 34.466 33.677 0.789 1
1 271 . 16 1 1 A 44 44 ARG N N 41 122.000 122.037 -0.037 1
1 272 . 16 1 1 A 45 45 CYS H H 42 8.814 8.985 -0.171 1
1 273 . 16 1 1 A 45 45 CYS HA H 42 5.566 5.333 0.233 1
1 276 . 16 1 1 A 45 45 CYS C C 42 173.806 171.450 2.356 1
1 277 . 16 1 1 A 45 45 CYS CA C 42 51.956 54.860 -2.904 1
1 278 . 16 1 1 A 45 45 CYS CB C 42 38.526 46.291 -7.765 1
1 279 . 16 1 1 A 45 45 CYS N N 42 115.378 120.919 -5.541 1
1 280 . 16 1 1 A 46 46 LEU H H 43 9.234 9.555 -0.321 1
1 281 . 16 1 1 A 46 46 LEU HA H 43 5.382 5.006 0.376 1
1 291 . 16 1 1 A 46 46 LEU C C 43 176.639 175.323 1.316 1
1 292 . 16 1 1 A 46 46 LEU CA C 43 53.739 53.652 0.087 1
1 293 . 16 1 1 A 46 46 LEU CB C 43 46.024 43.961 2.063 1
1 297 . 16 1 1 A 46 46 LEU N N 43 122.940 127.781 -4.841 1
1 298 . 16 1 1 A 47 47 PHE H H 44 9.048 9.074 -0.026 1
1 299 . 16 1 1 A 47 47 PHE HA H 44 5.700 6.109 -0.409 1
1 306 . 16 1 1 A 47 47 PHE C C 44 173.708 173.696 0.012 1
1 307 . 16 1 1 A 47 47 PHE CA C 44 56.494 55.551 0.943 1
1 308 . 16 1 1 A 47 47 PHE CB C 44 44.246 41.747 2.499 1
1 313 . 16 1 1 A 47 47 PHE N N 44 128.522 127.799 0.723 1
1 314 . 16 1 1 A 48 48 VAL H H 45 8.086 8.811 -0.725 1
1 315 . 16 1 1 A 48 48 VAL HA H 45 4.234 4.331 -0.097 1
1 323 . 16 1 1 A 48 48 VAL C C 45 173.728 175.131 -1.403 1
1 324 . 16 1 1 A 48 48 VAL CA C 45 61.110 61.029 0.081 1
1 325 . 16 1 1 A 48 48 VAL CB C 45 36.121 33.537 2.584 1
1 328 . 16 1 1 A 48 48 VAL N N 45 124.455 127.471 -3.016 1
1 329 . 16 1 1 A 49 49 GLN H H 46 8.391 8.759 -0.368 1
1 330 . 16 1 1 A 49 49 GLN HA H 46 4.155 4.383 -0.228 1
1 335 . 16 1 1 A 49 49 GLN C C 46 174.214 175.525 -1.311 1
1 336 . 16 1 1 A 49 49 GLN CA C 46 54.491 56.041 -1.550 1
1 337 . 16 1 1 A 49 49 GLN CB C 46 29.986 29.202 0.784 1
1 339 . 16 1 1 A 49 49 GLN N N 46 126.537 126.340 0.197 1
1 340 . 16 1 1 A 50 50 LEU H H 47 7.646 8.313 -0.667 1
1 341 . 16 1 1 A 50 50 LEU HA H 47 3.856 4.904 -1.048 1
1 351 . 16 1 1 A 50 50 LEU C C 47 175.649 176.634 -0.985 1
1 352 . 16 1 1 A 50 50 LEU CA C 47 53.706 51.193 2.513 1
1 353 . 16 1 1 A 50 50 LEU CB C 47 39.821 45.341 -5.520 1
1 357 . 16 1 1 A 50 50 LEU N N 47 127.637 124.398 3.239 1
1 358 . 16 1 1 A 51 51 PRO HA H 48 3.921 4.421 -0.500 1
1 365 . 16 1 1 A 51 51 PRO C C 48 177.492 175.691 1.801 1
1 366 . 16 1 1 A 51 51 PRO CA C 48 65.923 63.718 2.205 1
1 367 . 16 1 1 A 51 51 PRO CB C 48 31.509 31.955 -0.446 1
1 370 . 16 1 1 A 52 52 TYR H H 49 7.517 7.896 -0.379 1
1 371 . 16 1 1 A 52 52 TYR HA H 49 4.790 4.693 0.097 1
1 378 . 16 1 1 A 52 52 TYR C C 49 175.214 175.685 -0.471 1
1 379 . 16 1 1 A 52 52 TYR CA C 49 55.767 59.095 -3.328 1
1 380 . 16 1 1 A 52 52 TYR CB C 49 39.277 40.745 -1.468 1
1 385 . 16 1 1 A 52 52 TYR N N 49 109.643 117.350 -7.707 1
1 386 . 16 1 1 A 53 53 SER H H 50 6.986 7.929 -0.943 1
1 387 . 16 1 1 A 53 53 SER HA H 50 4.409 4.944 -0.535 1
1 390 . 16 1 1 A 53 53 SER C C 50 171.925 172.612 -0.687 1
1 391 . 16 1 1 A 53 53 SER CA C 50 57.189 57.281 -0.092 1
1 392 . 16 1 1 A 53 53 SER CB C 50 63.786 67.055 -3.269 1
1 393 . 16 1 1 A 53 53 SER N N 50 112.994 113.275 -0.281 1
1 394 . 16 1 1 A 54 54 GLU H H 51 7.890 8.562 -0.672 1
1 395 . 16 1 1 A 54 54 GLU HA H 51 4.903 5.207 -0.304 1
1 400 . 16 1 1 A 54 54 GLU C C 51 175.536 175.432 0.104 1
1 401 . 16 1 1 A 54 54 GLU CA C 51 54.722 54.508 0.214 1
1 402 . 16 1 1 A 54 54 GLU CB C 51 33.225 34.032 -0.807 1
1 404 . 16 1 1 A 54 54 GLU N N 51 115.330 119.597 -4.267 1
1 405 . 16 1 1 A 55 55 ILE H H 52 8.600 8.299 0.301 1
1 406 . 16 1 1 A 55 55 ILE HA H 52 4.302 4.695 -0.393 1
1 416 . 16 1 1 A 55 55 ILE C C 52 175.783 175.373 0.410 1
1 417 . 16 1 1 A 55 55 ILE CA C 52 60.360 60.377 -0.017 1
1 418 . 16 1 1 A 55 55 ILE CB C 52 39.228 38.363 0.865 1
1 422 . 16 1 1 A 55 55 ILE N N 52 122.129 124.123 -1.994 1
1 423 . 16 1 1 A 56 56 GLN H H 53 8.573 8.626 -0.053 1
1 424 . 16 1 1 A 56 56 GLN HA H 53 5.394 6.021 -0.627 1
1 429 . 16 1 1 A 56 56 GLN C C 53 174.379 174.602 -0.223 1
1 430 . 16 1 1 A 56 56 GLN CA C 53 54.790 54.618 0.172 1
1 431 . 16 1 1 A 56 56 GLN CB C 53 33.315 32.419 0.896 1
1 433 . 16 1 1 A 56 56 GLN N N 53 126.768 126.290 0.478 1
1 434 . 16 1 1 A 57 57 GLU H H 54 7.782 8.736 -0.954 1
1 435 . 16 1 1 A 57 57 GLU HA H 54 4.967 4.925 0.042 1
1 440 . 16 1 1 A 57 57 GLU C C 54 176.345 174.618 1.727 1
1 441 . 16 1 1 A 57 57 GLU CA C 54 55.405 55.292 0.113 1
1 442 . 16 1 1 A 57 57 GLU CB C 54 36.080 32.423 3.657 1
1 444 . 16 1 1 A 57 57 GLU N N 54 117.990 120.297 -2.307 1
1 445 . 16 1 1 A 58 58 CYS H H 55 8.780 8.430 0.350 1
1 446 . 16 1 1 A 58 58 CYS HA H 55 5.145 5.275 -0.130 1
1 449 . 16 1 1 A 58 58 CYS C C 55 175.293 173.686 1.607 1
1 450 . 16 1 1 A 58 58 CYS CA C 55 57.749 55.239 2.510 1
1 451 . 16 1 1 A 58 58 CYS CB C 55 45.523 43.148 2.375 1
1 452 . 16 1 1 A 58 58 CYS N N 55 119.662 119.825 -0.163 1
1 453 . 16 1 1 A 59 59 LYS H H 56 9.277 8.700 0.577 1
1 454 . 16 1 1 A 59 59 LYS HA H 56 4.896 4.864 0.032 1
1 463 . 16 1 1 A 59 59 LYS C C 56 176.049 176.093 -0.044 1
1 464 . 16 1 1 A 59 59 LYS CA C 56 53.903 54.776 -0.873 1
1 465 . 16 1 1 A 59 59 LYS CB C 56 40.637 36.704 3.933 1
1 469 . 16 1 1 A 59 59 LYS N N 56 120.535 123.916 -3.381 1
1 470 . 16 1 1 A 60 60 THR H H 57 7.997 8.780 -0.783 1
1 471 . 16 1 1 A 60 60 THR HA H 57 4.876 4.583 0.293 1
1 476 . 16 1 1 A 60 60 THR C C 57 175.637 176.282 -0.645 1
1 477 . 16 1 1 A 60 60 THR CA C 57 61.017 61.266 -0.249 1
1 478 . 16 1 1 A 60 60 THR CB C 57 70.774 70.512 0.262 1
1 480 . 16 1 1 A 60 60 THR N N 57 108.910 113.317 -4.407 1
1 481 . 16 1 1 A 61 61 VAL H H 58 8.689 8.785 -0.096 1
1 482 . 16 1 1 A 61 61 VAL HA H 58 3.477 3.670 -0.193 1
1 490 . 16 1 1 A 61 61 VAL C C 58 178.541 177.477 1.064 1
1 491 . 16 1 1 A 61 61 VAL CA C 58 67.024 67.220 -0.196 1
1 492 . 16 1 1 A 61 61 VAL CB C 58 31.751 31.926 -0.175 1
1 495 . 16 1 1 A 61 61 VAL N N 58 121.313 122.640 -1.327 1
1 496 . 16 1 1 A 62 62 GLN H H 59 8.564 8.172 0.392 1
1 497 . 16 1 1 A 62 62 GLN HA H 59 4.062 4.000 0.062 1
1 502 . 16 1 1 A 62 62 GLN C C 59 178.871 178.445 0.426 1
1 503 . 16 1 1 A 62 62 GLN CA C 59 58.993 59.272 -0.279 1
1 504 . 16 1 1 A 62 62 GLN CB C 59 28.085 28.425 -0.340 1
1 506 . 16 1 1 A 62 62 GLN N N 59 119.395 119.319 0.076 1
1 507 . 16 1 1 A 63 63 GLN H H 60 7.644 8.198 -0.554 1
1 508 . 16 1 1 A 63 63 GLN HA H 60 4.082 3.984 0.098 1
1 513 . 16 1 1 A 63 63 GLN C C 60 179.023 177.895 1.128 1
1 514 . 16 1 1 A 63 63 GLN CA C 60 58.106 58.951 -0.845 1
1 515 . 16 1 1 A 63 63 GLN CB C 60 29.283 27.980 1.303 1
1 517 . 16 1 1 A 63 63 GLN N N 60 116.638 117.979 -1.341 1
1 518 . 16 1 1 A 64 64 CYS H H 61 8.543 8.296 0.247 1
1 519 . 16 1 1 A 64 64 CYS HA H 61 3.951 4.389 -0.438 1
1 522 . 16 1 1 A 64 64 CYS C C 61 176.171 175.987 0.184 1
1 523 . 16 1 1 A 64 64 CYS CA C 61 64.735 58.838 5.897 1
1 524 . 16 1 1 A 64 64 CYS CB C 61 40.828 42.000 -1.172 1
1 525 . 16 1 1 A 64 64 CYS N N 61 118.614 118.289 0.325 1
1 526 . 16 1 1 A 65 65 ALA H H 62 7.791 8.023 -0.232 1
1 527 . 16 1 1 A 65 65 ALA HA H 62 4.021 3.988 0.033 1
1 531 . 16 1 1 A 65 65 ALA C C 62 180.353 179.492 0.861 1
1 532 . 16 1 1 A 65 65 ALA CA C 62 55.249 55.447 -0.198 1
1 533 . 16 1 1 A 65 65 ALA CB C 62 18.069 17.641 0.428 1
1 534 . 16 1 1 A 65 65 ALA N N 62 119.479 122.876 -3.397 1
1 535 . 16 1 1 A 66 66 GLU H H 63 7.685 8.422 -0.737 1
1 536 . 16 1 1 A 66 66 GLU HA H 63 4.041 4.074 -0.033 1
1 541 . 16 1 1 A 66 66 GLU C C 63 179.701 179.164 0.537 1
1 542 . 16 1 1 A 66 66 GLU CA C 63 59.440 59.639 -0.199 1
1 543 . 16 1 1 A 66 66 GLU CB C 63 29.735 29.382 0.353 1
1 545 . 16 1 1 A 66 66 GLU N N 63 117.981 118.466 -0.485 1
1 546 . 16 1 1 A 67 67 VAL H H 64 7.795 8.226 -0.431 1
1 547 . 16 1 1 A 67 67 VAL HA H 64 3.826 4.370 -0.544 1
1 555 . 16 1 1 A 67 67 VAL C C 64 178.078 177.864 0.214 1
1 556 . 16 1 1 A 67 67 VAL CA C 64 66.262 65.862 0.400 1
1 557 . 16 1 1 A 67 67 VAL CB C 64 31.703 31.202 0.501 1
1 560 . 16 1 1 A 67 67 VAL N N 64 120.422 116.943 3.479 1
1 561 . 16 1 1 A 68 68 LEU H H 65 8.563 8.277 0.286 1
1 562 . 16 1 1 A 68 68 LEU HA H 65 3.897 3.939 -0.042 1
1 572 . 16 1 1 A 68 68 LEU C C 65 180.593 178.372 2.221 1
1 573 . 16 1 1 A 68 68 LEU CA C 65 58.495 58.709 -0.214 1
1 574 . 16 1 1 A 68 68 LEU CB C 65 41.633 41.528 0.105 1
1 578 . 16 1 1 A 68 68 LEU N N 65 119.314 125.201 -5.887 1
1 579 . 16 1 1 A 69 69 GLU H H 66 8.071 7.858 0.213 1
1 580 . 16 1 1 A 69 69 GLU HA H 66 3.947 4.044 -0.097 1
1 585 . 16 1 1 A 69 69 GLU C C 66 178.591 178.414 0.177 1
1 586 . 16 1 1 A 69 69 GLU CA C 66 59.727 59.101 0.626 1
1 587 . 16 1 1 A 69 69 GLU CB C 66 29.549 29.098 0.451 1
1 589 . 16 1 1 A 69 69 GLU N N 66 120.124 118.680 1.444 1
1 590 . 16 1 1 A 70 70 GLU H H 67 7.471 8.034 -0.563 1
1 591 . 16 1 1 A 70 70 GLU HA H 67 4.111 4.103 0.008 1
1 596 . 16 1 1 A 70 70 GLU C C 67 179.873 178.245 1.628 1
1 597 . 16 1 1 A 70 70 GLU CA C 67 59.439 59.250 0.189 1
1 598 . 16 1 1 A 70 70 GLU CB C 67 30.021 29.325 0.696 1
1 600 . 16 1 1 A 70 70 GLU N N 67 119.545 117.725 1.820 1
1 601 . 16 1 1 A 71 71 VAL H H 68 8.790 7.469 1.321 1
1 602 . 16 1 1 A 71 71 VAL HA H 68 4.137 3.863 0.274 1
1 610 . 16 1 1 A 71 71 VAL C C 68 178.818 178.408 0.410 1
1 611 . 16 1 1 A 71 71 VAL CA C 68 64.321 65.387 -1.066 1
1 612 . 16 1 1 A 71 71 VAL CB C 68 31.230 31.593 -0.363 1
1 615 . 16 1 1 A 71 71 VAL N N 68 111.497 116.769 -5.272 1
1 616 . 16 1 1 A 72 72 THR H H 69 8.231 8.472 -0.241 1
1 617 . 16 1 1 A 72 72 THR HA H 69 4.161 4.307 -0.146 1
1 622 . 16 1 1 A 72 72 THR C C 69 177.502 176.357 1.145 1
1 623 . 16 1 1 A 72 72 THR CA C 69 66.179 65.953 0.226 1
1 624 . 16 1 1 A 72 72 THR CB C 69 68.770 68.566 0.204 1
1 626 . 16 1 1 A 72 72 THR N N 69 118.078 116.679 1.399 1
1 627 . 16 1 1 A 73 73 ALA H H 70 7.177 8.415 -1.238 1
1 628 . 16 1 1 A 73 73 ALA HA H 70 4.139 4.188 -0.049 1
1 632 . 16 1 1 A 73 73 ALA C C 70 179.116 179.213 -0.097 1
1 633 . 16 1 1 A 73 73 ALA CA C 70 54.690 54.577 0.113 1
1 634 . 16 1 1 A 73 73 ALA CB C 70 18.039 18.296 -0.257 1
1 635 . 16 1 1 A 73 73 ALA N N 70 123.757 123.324 0.433 1
1 636 . 16 1 1 A 74 74 ILE H H 71 6.874 7.405 -0.531 1
1 637 . 16 1 1 A 74 74 ILE HA H 71 3.988 4.146 -0.158 1
1 647 . 16 1 1 A 74 74 ILE C C 71 176.201 176.044 0.157 1
1 648 . 16 1 1 A 74 74 ILE CA C 71 61.927 61.804 0.123 1
1 649 . 16 1 1 A 74 74 ILE CB C 71 38.431 38.729 -0.298 1
1 653 . 16 1 1 A 74 74 ILE N N 71 113.131 115.492 -2.361 1
1 654 . 16 1 1 A 75 75 GLY H H 72 7.476 7.917 -0.441 1
1 655 . 16 1 1 A 75 75 GLY HA2 H 72 3.663 3.852 -0.189 1
1 656 . 16 1 1 A 75 75 GLY HA3 H 72 4.166 3.956 0.210 1
1 657 . 16 1 1 A 75 75 GLY C C 72 174.832 173.824 1.008 1
1 658 . 16 1 1 A 75 75 GLY CA C 72 45.144 44.828 0.316 1
1 659 . 16 1 1 A 75 75 GLY N N 72 106.405 108.145 -1.740 1
1 660 . 16 1 1 A 76 76 TYR H H 73 7.340 7.973 -0.633 1
1 661 . 16 1 1 A 76 76 TYR HA H 73 5.184 4.716 0.468 1
1 668 . 16 1 1 A 76 76 TYR C C 73 173.889 174.096 -0.207 1
1 669 . 16 1 1 A 76 76 TYR CA C 73 52.922 55.727 -2.805 1
1 670 . 16 1 1 A 76 76 TYR CB C 73 36.723 38.877 -2.154 1
1 675 . 16 1 1 A 76 76 TYR N N 73 122.416 120.320 2.096 1
1 676 . 16 1 1 A 77 77 PRO HA H 74 4.394 4.520 -0.126 1
1 683 . 16 1 1 A 77 77 PRO C C 74 175.722 176.289 -0.567 1
1 684 . 16 1 1 A 77 77 PRO CA C 74 63.242 63.186 0.056 1
1 685 . 16 1 1 A 77 77 PRO CB C 74 32.460 32.317 0.143 1
1 688 . 16 1 1 A 78 78 ALA H H 75 7.778 8.418 -0.640 1
1 689 . 16 1 1 A 78 78 ALA HA H 75 5.239 5.235 0.004 1
1 693 . 16 1 1 A 78 78 ALA C C 75 176.207 175.417 0.790 1
1 694 . 16 1 1 A 78 78 ALA CA C 75 51.422 50.632 0.790 1
1 695 . 16 1 1 A 78 78 ALA CB C 75 25.258 24.182 1.076 1
1 696 . 16 1 1 A 78 78 ALA N N 75 122.638 122.503 0.135 1
1 697 . 16 1 1 A 79 79 LYS H H 76 9.213 9.430 -0.217 1
1 698 . 16 1 1 A 79 79 LYS HA H 76 4.632 5.021 -0.389 1
1 707 . 16 1 1 A 79 79 LYS C C 76 173.669 175.199 -1.530 1
1 708 . 16 1 1 A 79 79 LYS CA C 76 55.912 54.643 1.269 1
1 709 . 16 1 1 A 79 79 LYS CB C 76 36.309 34.690 1.619 1
1 713 . 16 1 1 A 79 79 LYS N N 76 115.751 118.222 -2.471 1
1 714 . 16 1 1 A 80 80 CYS H H 77 8.602 9.081 -0.479 1
1 715 . 16 1 1 A 80 80 CYS HA H 77 5.535 6.257 -0.722 1
1 718 . 16 1 1 A 80 80 CYS C C 77 174.029 172.721 1.308 1
1 719 . 16 1 1 A 80 80 CYS CA C 77 56.029 54.861 1.168 1
1 720 . 16 1 1 A 80 80 CYS CB C 77 47.796 43.216 4.580 1
1 721 . 16 1 1 A 80 80 CYS N N 77 119.633 121.945 -2.312 1
1 722 . 16 1 1 A 81 81 CYS H H 78 9.428 9.076 0.352 1
1 723 . 16 1 1 A 81 81 CYS HA H 78 5.391 5.544 -0.153 1
1 726 . 16 1 1 A 81 81 CYS C C 78 173.980 172.445 1.535 1
1 727 . 16 1 1 A 81 81 CYS CA C 78 54.237 53.772 0.465 1
1 728 . 16 1 1 A 81 81 CYS CB C 78 47.557 45.809 1.748 1
1 729 . 16 1 1 A 81 81 CYS N N 78 120.091 123.508 -3.417 1
1 730 . 16 1 1 A 82 82 CYS H H 79 9.291 8.614 0.677 1
1 731 . 16 1 1 A 82 82 CYS HA H 79 5.134 5.343 -0.209 1
1 734 . 16 1 1 A 82 82 CYS C C 79 172.349 173.803 -1.454 1
1 735 . 16 1 1 A 82 82 CYS CA C 79 56.628 57.053 -0.425 1
1 736 . 16 1 1 A 82 82 CYS CB C 79 46.122 28.692 17.430 1
1 737 . 16 1 1 A 82 82 CYS N N 79 117.137 120.613 -3.476 1
1 738 . 16 1 1 A 83 83 GLU H H 80 7.283 8.555 -1.272 1
1 739 . 16 1 1 A 83 83 GLU HA H 80 4.625 4.636 -0.011 1
1 744 . 16 1 1 A 83 83 GLU C C 80 174.435 174.499 -0.064 1
1 745 . 16 1 1 A 83 83 GLU CA C 80 54.873 56.022 -1.149 1
1 746 . 16 1 1 A 83 83 GLU CB C 80 33.106 33.770 -0.664 1
1 748 . 16 1 1 A 83 83 GLU N N 80 120.821 123.117 -2.296 1
1 749 . 16 1 1 A 84 84 ASP H H 81 8.433 8.679 -0.246 1
1 750 . 16 1 1 A 84 84 ASP HA H 81 4.956 4.492 0.464 1
1 753 . 16 1 1 A 84 84 ASP C C 81 178.149 176.543 1.606 1
1 754 . 16 1 1 A 84 84 ASP CA C 81 55.409 54.903 0.506 1
1 755 . 16 1 1 A 84 84 ASP CB C 81 40.817 40.977 -0.160 1
1 756 . 16 1 1 A 84 84 ASP N N 81 121.789 124.084 -2.295 1
1 757 . 16 1 1 A 85 85 LEU H H 82 9.244 9.379 -0.135 1
1 758 . 16 1 1 A 85 85 LEU HA H 82 3.308 3.277 0.031 1
1 765 . 16 1 1 A 85 85 LEU C C 82 176.858 176.520 0.338 1
1 766 . 16 1 1 A 85 85 LEU CA C 82 56.047 55.835 0.212 1
1 767 . 16 1 1 A 85 85 LEU CB C 82 36.885 38.521 -1.636 1
1 770 . 16 1 1 A 85 85 LEU N N 82 114.422 117.431 -3.009 1
1 771 . 16 1 1 A 86 86 CYS H H 83 8.005 7.523 0.482 1
1 772 . 16 1 1 A 86 86 CYS HA H 83 4.547 4.349 0.198 1
1 775 . 16 1 1 A 86 86 CYS C C 83 174.632 174.005 0.627 1
1 776 . 16 1 1 A 86 86 CYS CA C 83 57.206 59.510 -2.304 1
1 777 . 16 1 1 A 86 86 CYS CB C 83 47.155 42.140 5.015 1
1 778 . 16 1 1 A 86 86 CYS N N 83 112.558 116.689 -4.131 1
1 779 . 16 1 1 A 87 87 ASN H H 84 8.859 7.763 1.096 1
1 780 . 16 1 1 A 87 87 ASN HA H 84 4.526 4.661 -0.135 1
1 783 . 16 1 1 A 87 87 ASN C C 84 172.146 175.241 -3.095 1
1 784 . 16 1 1 A 87 87 ASN CA C 84 52.617 53.253 -0.636 1
1 785 . 16 1 1 A 87 87 ASN CB C 84 36.673 39.106 -2.433 1
1 786 . 16 1 1 A 87 87 ASN N N 84 119.985 115.145 4.840 1
1 787 . 16 1 1 A 88 88 ARG H H 85 7.353 8.163 -0.810 1
1 788 . 16 1 1 A 88 88 ARG HA H 85 3.734 5.228 -1.494 1
1 795 . 16 1 1 A 88 88 ARG C C 85 173.901 174.339 -0.438 1
1 796 . 16 1 1 A 88 88 ARG CA C 85 55.058 54.404 0.654 1
1 797 . 16 1 1 A 88 88 ARG CB C 85 31.857 33.834 -1.977 1
1 800 . 16 1 1 A 88 88 ARG N N 85 118.446 121.651 -3.205 1
1 801 . 16 1 1 A 89 89 SER H H 86 7.987 8.746 -0.759 1
1 802 . 16 1 1 A 89 89 SER HA H 86 3.689 4.249 -0.560 1
1 805 . 16 1 1 A 89 89 SER C C 86 174.342 175.769 -1.427 1
1 806 . 16 1 1 A 89 89 SER CA C 86 57.844 60.051 -2.207 1
1 807 . 16 1 1 A 89 89 SER CB C 86 63.504 62.937 0.567 1
1 808 . 16 1 1 A 89 89 SER N N 86 115.514 118.217 -2.703 1
1 809 . 16 1 1 A 90 90 GLU H H 87 8.461 8.701 -0.240 1
1 810 . 16 1 1 A 90 90 GLU HA H 87 4.125 4.120 0.005 1
1 815 . 16 1 1 A 90 90 GLU C C 87 175.632 176.569 -0.937 1
1 816 . 16 1 1 A 90 90 GLU CA C 87 56.799 57.492 -0.693 1
1 817 . 16 1 1 A 90 90 GLU CB C 87 30.049 29.942 0.107 1
1 819 . 16 1 1 A 90 90 GLU N N 87 122.917 123.676 -0.759 1
1 16 . 17 1 1 A 22 22 ALA H H 19 8.052 8.823 -0.771 1
1 17 . 17 1 1 A 22 22 ALA HA H 19 4.191 4.816 -0.625 1
1 21 . 17 1 1 A 22 22 ALA C C 19 176.151 176.083 0.068 1
1 22 . 17 1 1 A 22 22 ALA CA C 19 51.960 53.033 -1.073 1
1 23 . 17 1 1 A 22 22 ALA CB C 19 19.784 18.152 1.632 1
1 24 . 17 1 1 A 22 22 ALA N N 19 125.891 119.477 6.414 1
1 25 . 17 1 1 A 23 23 LEU H H 20 8.117 8.508 -0.391 1
1 26 . 17 1 1 A 23 23 LEU HA H 20 4.273 5.106 -0.833 1
1 36 . 17 1 1 A 23 23 LEU C C 20 174.307 174.423 -0.116 1
1 37 . 17 1 1 A 23 23 LEU CA C 20 54.838 53.466 1.372 1
1 38 . 17 1 1 A 23 23 LEU CB C 20 44.574 45.628 -1.054 1
1 42 . 17 1 1 A 23 23 LEU N N 20 125.488 124.816 0.672 1
1 43 . 17 1 1 A 24 24 LYS H H 21 7.915 9.129 -1.214 1
1 44 . 17 1 1 A 24 24 LYS HA H 21 5.287 5.337 -0.050 1
1 53 . 17 1 1 A 24 24 LYS C C 21 175.901 175.370 0.531 1
1 54 . 17 1 1 A 24 24 LYS CA C 21 54.174 54.988 -0.814 1
1 55 . 17 1 1 A 24 24 LYS CB C 21 34.841 33.716 1.125 1
1 59 . 17 1 1 A 24 24 LYS N N 21 122.369 124.723 -2.354 1
1 60 . 17 1 1 A 25 25 CYS H H 22 8.426 8.506 -0.080 1
1 61 . 17 1 1 A 25 25 CYS HA H 22 4.886 5.289 -0.403 1
1 64 . 17 1 1 A 25 25 CYS C C 22 175.309 172.584 2.725 1
1 65 . 17 1 1 A 25 25 CYS CA C 22 51.680 54.634 -2.954 1
1 66 . 17 1 1 A 25 25 CYS CB C 22 41.829 47.871 -6.042 1
1 67 . 17 1 1 A 25 25 CYS N N 22 117.505 122.165 -4.660 1
1 68 . 17 1 1 A 26 26 PHE H H 23 8.960 9.089 -0.129 1
1 69 . 17 1 1 A 26 26 PHE HA H 23 5.057 5.173 -0.116 1
1 74 . 17 1 1 A 26 26 PHE C C 23 176.694 175.959 0.735 1
1 75 . 17 1 1 A 26 26 PHE CA C 23 60.302 57.744 2.558 1
1 76 . 17 1 1 A 26 26 PHE CB C 23 39.490 40.296 -0.806 1
1 79 . 17 1 1 A 26 26 PHE N N 23 120.038 121.423 -1.385 1
1 80 . 17 1 1 A 27 27 THR H H 24 9.071 9.246 -0.175 1
1 81 . 17 1 1 A 27 27 THR HA H 24 4.960 5.236 -0.276 1
1 86 . 17 1 1 A 27 27 THR C C 24 173.722 172.987 0.735 1
1 87 . 17 1 1 A 27 27 THR CA C 24 59.835 61.051 -1.216 1
1 88 . 17 1 1 A 27 27 THR CB C 24 71.382 71.651 -0.269 1
1 90 . 17 1 1 A 27 27 THR N N 24 114.266 117.380 -3.114 1
1 91 . 17 1 1 A 28 28 ARG H H 25 8.398 8.456 -0.058 1
1 92 . 17 1 1 A 28 28 ARG HA H 25 5.158 4.795 0.363 1
1 99 . 17 1 1 A 28 28 ARG C C 25 175.547 175.423 0.124 1
1 100 . 17 1 1 A 28 28 ARG CA C 25 54.586 56.140 -1.554 1
1 101 . 17 1 1 A 28 28 ARG CB C 25 32.443 30.961 1.482 1
1 104 . 17 1 1 A 28 28 ARG N N 25 123.189 127.785 -4.596 1
1 105 . 17 1 1 A 29 29 ASN H H 26 8.589 9.011 -0.422 1
1 106 . 17 1 1 A 29 29 ASN HA H 26 4.938 5.034 -0.096 1
1 109 . 17 1 1 A 29 29 ASN C C 26 175.273 175.989 -0.716 1
1 110 . 17 1 1 A 29 29 ASN CA C 26 52.276 53.185 -0.909 1
1 111 . 17 1 1 A 29 29 ASN CB C 26 39.660 38.105 1.555 1
1 112 . 17 1 1 A 29 29 ASN N N 26 125.242 123.572 1.670 1
1 113 . 17 1 1 A 30 30 GLY H H 27 9.046 8.460 0.586 1
1 114 . 17 1 1 A 30 30 GLY HA2 H 27 3.649 3.867 -0.218 1
1 115 . 17 1 1 A 30 30 GLY HA3 H 27 3.996 3.870 0.126 1
1 116 . 17 1 1 A 30 30 GLY C C 27 174.707 174.177 0.530 1
1 117 . 17 1 1 A 30 30 GLY CA C 27 46.906 47.311 -0.405 1
1 118 . 17 1 1 A 30 30 GLY N N 27 115.613 113.522 2.091 1
1 119 . 17 1 1 A 31 31 ASP H H 28 8.956 8.586 0.370 1
1 120 . 17 1 1 A 31 31 ASP HA H 28 4.648 4.996 -0.348 1
1 123 . 17 1 1 A 31 31 ASP C C 28 175.670 175.570 0.100 1
1 124 . 17 1 1 A 31 31 ASP CA C 28 54.939 55.344 -0.405 1
1 125 . 17 1 1 A 31 31 ASP CB C 28 41.505 43.563 -2.058 1
1 126 . 17 1 1 A 31 31 ASP N N 28 126.791 124.719 2.072 1
1 127 . 17 1 1 A 32 32 ASP H H 29 7.973 7.811 0.162 1
1 128 . 17 1 1 A 32 32 ASP HA H 29 4.778 4.493 0.285 1
1 131 . 17 1 1 A 32 32 ASP C C 29 174.871 175.886 -1.015 1
1 132 . 17 1 1 A 32 32 ASP CA C 29 54.192 54.803 -0.611 1
1 133 . 17 1 1 A 32 32 ASP CB C 29 42.663 41.492 1.171 1
1 134 . 17 1 1 A 32 32 ASP N N 29 120.240 119.656 0.584 1
1 135 . 17 1 1 A 33 33 ARG H H 30 8.682 8.711 -0.029 1
1 136 . 17 1 1 A 33 33 ARG HA H 30 5.020 5.207 -0.187 1
1 143 . 17 1 1 A 33 33 ARG C C 30 175.569 174.942 0.627 1
1 144 . 17 1 1 A 33 33 ARG CA C 30 55.487 54.855 0.632 1
1 145 . 17 1 1 A 33 33 ARG CB C 30 31.962 32.238 -0.276 1
1 148 . 17 1 1 A 33 33 ARG N N 30 125.183 124.533 0.650 1
1 149 . 17 1 1 A 34 34 THR H H 31 8.976 8.671 0.305 1
1 150 . 17 1 1 A 34 34 THR HA H 31 4.764 5.058 -0.294 1
1 155 . 17 1 1 A 34 34 THR C C 31 172.745 172.983 -0.238 1
1 156 . 17 1 1 A 34 34 THR CA C 31 59.891 59.220 0.671 1
1 157 . 17 1 1 A 34 34 THR CB C 31 71.522 71.541 -0.019 1
1 159 . 17 1 1 A 34 34 THR N N 31 120.162 118.198 1.964 1
1 160 . 17 1 1 A 35 35 VAL H H 32 8.286 8.715 -0.429 1
1 161 . 17 1 1 A 35 35 VAL HA H 32 4.110 4.172 -0.062 1
1 169 . 17 1 1 A 35 35 VAL C C 32 175.720 175.607 0.113 1
1 170 . 17 1 1 A 35 35 VAL CA C 32 62.838 61.975 0.863 1
1 171 . 17 1 1 A 35 35 VAL CB C 32 32.883 31.669 1.214 1
1 174 . 17 1 1 A 35 35 VAL N N 32 122.209 123.303 -1.094 1
1 175 . 17 1 1 A 36 36 THR H H 33 8.749 9.088 -0.339 1
1 176 . 17 1 1 A 36 36 THR HA H 33 4.486 5.218 -0.732 1
1 181 . 17 1 1 A 36 36 THR C C 33 173.029 172.604 0.425 1
1 182 . 17 1 1 A 36 36 THR CA C 33 61.029 59.690 1.339 1
1 183 . 17 1 1 A 36 36 THR CB C 33 71.425 70.759 0.666 1
1 185 . 17 1 1 A 36 36 THR N N 33 125.259 119.612 5.647 1
1 186 . 17 1 1 A 37 37 THR H H 34 8.544 8.840 -0.296 1
1 187 . 17 1 1 A 37 37 THR HA H 34 4.371 4.768 -0.397 1
1 192 . 17 1 1 A 37 37 THR C C 34 173.839 173.115 0.724 1
1 193 . 17 1 1 A 37 37 THR CA C 34 62.892 60.822 2.070 1
1 194 . 17 1 1 A 37 37 THR CB C 34 68.156 69.598 -1.442 1
1 196 . 17 1 1 A 37 37 THR N N 34 122.774 118.911 3.863 1
1 197 . 17 1 1 A 38 38 CYS H H 35 9.227 9.566 -0.339 1
1 198 . 17 1 1 A 38 38 CYS HA H 35 4.516 5.210 -0.694 1
1 201 . 17 1 1 A 38 38 CYS C C 35 174.923 173.343 1.580 1
1 202 . 17 1 1 A 38 38 CYS CA C 35 52.962 54.919 -1.957 1
1 203 . 17 1 1 A 38 38 CYS CB C 35 37.439 45.502 -8.063 1
1 204 . 17 1 1 A 38 38 CYS N N 35 129.056 126.917 2.139 1
1 205 . 17 1 1 A 39 39 ALA H H 36 8.113 8.702 -0.589 1
1 206 . 17 1 1 A 39 39 ALA HA H 36 4.313 4.532 -0.219 1
1 210 . 17 1 1 A 39 39 ALA C C 36 178.809 178.809 0.000 1
1 211 . 17 1 1 A 39 39 ALA CA C 36 52.125 51.522 0.603 1
1 212 . 17 1 1 A 39 39 ALA CB C 36 19.235 19.745 -0.510 1
1 213 . 17 1 1 A 39 39 ALA N N 36 122.621 124.159 -1.538 1
1 214 . 17 1 1 A 40 40 GLU H H 37 8.701 8.840 -0.139 1
1 215 . 17 1 1 A 40 40 GLU HA H 37 3.826 3.976 -0.150 1
1 220 . 17 1 1 A 40 40 GLU C C 37 177.999 178.733 -0.734 1
1 221 . 17 1 1 A 40 40 GLU CA C 37 60.104 59.765 0.339 1
1 222 . 17 1 1 A 40 40 GLU CB C 37 29.712 29.276 0.436 1
1 224 . 17 1 1 A 40 40 GLU N N 37 120.905 117.584 3.321 1
1 225 . 17 1 1 A 41 41 GLU H H 38 8.870 8.228 0.642 1
1 226 . 17 1 1 A 41 41 GLU HA H 38 4.233 4.048 0.185 1
1 231 . 17 1 1 A 41 41 GLU C C 38 176.790 178.215 -1.425 1
1 232 . 17 1 1 A 41 41 GLU CA C 38 57.438 59.035 -1.597 1
1 233 . 17 1 1 A 41 41 GLU CB C 38 28.813 29.335 -0.522 1
1 235 . 17 1 1 A 41 41 GLU N N 38 113.838 120.922 -7.084 1
1 236 . 17 1 1 A 42 42 GLN H H 39 7.935 7.786 0.149 1
1 237 . 17 1 1 A 42 42 GLN HA H 39 4.069 4.592 -0.523 1
1 242 . 17 1 1 A 42 42 GLN C C 39 174.033 176.561 -2.528 1
1 243 . 17 1 1 A 42 42 GLN CA C 39 55.177 55.207 -0.030 1
1 244 . 17 1 1 A 42 42 GLN CB C 39 28.144 28.001 0.143 1
1 246 . 17 1 1 A 42 42 GLN N N 39 120.919 115.887 5.032 1
1 247 . 17 1 1 A 43 43 THR H H 40 6.846 7.656 -0.810 1
1 248 . 17 1 1 A 43 43 THR HA H 40 4.340 4.287 0.053 1
1 253 . 17 1 1 A 43 43 THR C C 40 175.221 173.875 1.346 1
1 254 . 17 1 1 A 43 43 THR CA C 40 60.677 62.412 -1.735 1
1 255 . 17 1 1 A 43 43 THR CB C 40 68.516 69.133 -0.617 1
1 257 . 17 1 1 A 43 43 THR N N 40 109.859 112.366 -2.507 1
1 258 . 17 1 1 A 44 44 ARG H H 41 8.496 7.677 0.819 1
1 259 . 17 1 1 A 44 44 ARG HA H 41 5.001 4.714 0.287 1
1 266 . 17 1 1 A 44 44 ARG C C 41 174.082 175.024 -0.942 1
1 267 . 17 1 1 A 44 44 ARG CA C 41 52.838 54.193 -1.355 1
1 268 . 17 1 1 A 44 44 ARG CB C 41 34.466 33.279 1.187 1
1 271 . 17 1 1 A 44 44 ARG N N 41 122.000 119.992 2.008 1
1 272 . 17 1 1 A 45 45 CYS H H 42 8.814 8.888 -0.074 1
1 273 . 17 1 1 A 45 45 CYS HA H 42 5.566 5.268 0.298 1
1 276 . 17 1 1 A 45 45 CYS C C 42 173.806 172.050 1.756 1
1 277 . 17 1 1 A 45 45 CYS CA C 42 51.956 55.118 -3.162 1
1 278 . 17 1 1 A 45 45 CYS CB C 42 38.526 47.320 -8.794 1
1 279 . 17 1 1 A 45 45 CYS N N 42 115.378 118.124 -2.746 1
1 280 . 17 1 1 A 46 46 LEU H H 43 9.234 9.601 -0.367 1
1 281 . 17 1 1 A 46 46 LEU HA H 43 5.382 5.347 0.035 1
1 291 . 17 1 1 A 46 46 LEU C C 43 176.639 174.907 1.732 1
1 292 . 17 1 1 A 46 46 LEU CA C 43 53.739 53.144 0.595 1
1 293 . 17 1 1 A 46 46 LEU CB C 43 46.024 44.965 1.059 1
1 297 . 17 1 1 A 46 46 LEU N N 43 122.940 124.613 -1.673 1
1 298 . 17 1 1 A 47 47 PHE H H 44 9.048 8.603 0.445 1
1 299 . 17 1 1 A 47 47 PHE HA H 44 5.700 5.907 -0.207 1
1 306 . 17 1 1 A 47 47 PHE C C 44 173.708 173.539 0.169 1
1 307 . 17 1 1 A 47 47 PHE CA C 44 56.494 56.587 -0.093 1
1 308 . 17 1 1 A 47 47 PHE CB C 44 44.246 42.257 1.989 1
1 313 . 17 1 1 A 47 47 PHE N N 44 128.522 127.043 1.479 1
1 314 . 17 1 1 A 48 48 VAL H H 45 8.086 8.672 -0.586 1
1 315 . 17 1 1 A 48 48 VAL HA H 45 4.234 4.911 -0.677 1
1 323 . 17 1 1 A 48 48 VAL C C 45 173.728 174.404 -0.676 1
1 324 . 17 1 1 A 48 48 VAL CA C 45 61.110 59.957 1.153 1
1 325 . 17 1 1 A 48 48 VAL CB C 45 36.121 34.863 1.258 1
1 328 . 17 1 1 A 48 48 VAL N N 45 124.455 126.498 -2.043 1
1 329 . 17 1 1 A 49 49 GLN H H 46 8.391 8.673 -0.282 1
1 330 . 17 1 1 A 49 49 GLN HA H 46 4.155 4.501 -0.346 1
1 335 . 17 1 1 A 49 49 GLN C C 46 174.214 175.293 -1.079 1
1 336 . 17 1 1 A 49 49 GLN CA C 46 54.491 55.837 -1.346 1
1 337 . 17 1 1 A 49 49 GLN CB C 46 29.986 29.571 0.415 1
1 339 . 17 1 1 A 49 49 GLN N N 46 126.537 126.258 0.279 1
1 340 . 17 1 1 A 50 50 LEU H H 47 7.646 8.417 -0.771 1
1 341 . 17 1 1 A 50 50 LEU HA H 47 3.856 4.769 -0.913 1
1 351 . 17 1 1 A 50 50 LEU C C 47 175.649 176.510 -0.861 1
1 352 . 17 1 1 A 50 50 LEU CA C 47 53.706 51.073 2.633 1
1 353 . 17 1 1 A 50 50 LEU CB C 47 39.821 45.257 -5.436 1
1 357 . 17 1 1 A 50 50 LEU N N 47 127.637 124.541 3.096 1
1 358 . 17 1 1 A 51 51 PRO HA H 48 3.921 4.325 -0.404 1
1 365 . 17 1 1 A 51 51 PRO C C 48 177.492 175.551 1.941 1
1 366 . 17 1 1 A 51 51 PRO CA C 48 65.923 63.806 2.117 1
1 367 . 17 1 1 A 51 51 PRO CB C 48 31.509 31.766 -0.257 1
1 370 . 17 1 1 A 52 52 TYR H H 49 7.517 7.857 -0.340 1
1 371 . 17 1 1 A 52 52 TYR HA H 49 4.790 4.684 0.106 1
1 378 . 17 1 1 A 52 52 TYR C C 49 175.214 175.437 -0.223 1
1 379 . 17 1 1 A 52 52 TYR CA C 49 55.767 59.051 -3.284 1
1 380 . 17 1 1 A 52 52 TYR CB C 49 39.277 40.812 -1.535 1
1 385 . 17 1 1 A 52 52 TYR N N 49 109.643 117.110 -7.467 1
1 386 . 17 1 1 A 53 53 SER H H 50 6.986 7.837 -0.851 1
1 387 . 17 1 1 A 53 53 SER HA H 50 4.409 4.900 -0.491 1
1 390 . 17 1 1 A 53 53 SER C C 50 171.925 172.363 -0.438 1
1 391 . 17 1 1 A 53 53 SER CA C 50 57.189 57.248 -0.059 1
1 392 . 17 1 1 A 53 53 SER CB C 50 63.786 66.979 -3.193 1
1 393 . 17 1 1 A 53 53 SER N N 50 112.994 113.372 -0.378 1
1 394 . 17 1 1 A 54 54 GLU H H 51 7.890 8.485 -0.595 1
1 395 . 17 1 1 A 54 54 GLU HA H 51 4.903 5.074 -0.171 1
1 400 . 17 1 1 A 54 54 GLU C C 51 175.536 174.786 0.750 1
1 401 . 17 1 1 A 54 54 GLU CA C 51 54.722 54.416 0.306 1
1 402 . 17 1 1 A 54 54 GLU CB C 51 33.225 34.453 -1.228 1
1 404 . 17 1 1 A 54 54 GLU N N 51 115.330 119.456 -4.126 1
1 405 . 17 1 1 A 55 55 ILE H H 52 8.600 8.302 0.298 1
1 406 . 17 1 1 A 55 55 ILE HA H 52 4.302 4.764 -0.462 1
1 416 . 17 1 1 A 55 55 ILE C C 52 175.783 175.388 0.395 1
1 417 . 17 1 1 A 55 55 ILE CA C 52 60.360 59.953 0.407 1
1 418 . 17 1 1 A 55 55 ILE CB C 52 39.228 38.969 0.259 1
1 422 . 17 1 1 A 55 55 ILE N N 52 122.129 122.883 -0.754 1
1 423 . 17 1 1 A 56 56 GLN H H 53 8.573 8.848 -0.275 1
1 424 . 17 1 1 A 56 56 GLN HA H 53 5.394 5.737 -0.343 1
1 429 . 17 1 1 A 56 56 GLN C C 53 174.379 174.488 -0.109 1
1 430 . 17 1 1 A 56 56 GLN CA C 53 54.790 54.881 -0.091 1
1 431 . 17 1 1 A 56 56 GLN CB C 53 33.315 32.399 0.916 1
1 433 . 17 1 1 A 56 56 GLN N N 53 126.768 125.796 0.972 1
1 434 . 17 1 1 A 57 57 GLU H H 54 7.782 8.734 -0.952 1
1 435 . 17 1 1 A 57 57 GLU HA H 54 4.967 4.929 0.038 1
1 440 . 17 1 1 A 57 57 GLU C C 54 176.345 174.721 1.624 1
1 441 . 17 1 1 A 57 57 GLU CA C 54 55.405 55.141 0.264 1
1 442 . 17 1 1 A 57 57 GLU CB C 54 36.080 32.508 3.572 1
1 444 . 17 1 1 A 57 57 GLU N N 54 117.990 120.664 -2.674 1
1 445 . 17 1 1 A 58 58 CYS H H 55 8.780 8.431 0.349 1
1 446 . 17 1 1 A 58 58 CYS HA H 55 5.145 5.044 0.101 1
1 449 . 17 1 1 A 58 58 CYS C C 55 175.293 173.301 1.992 1
1 450 . 17 1 1 A 58 58 CYS CA C 55 57.749 55.493 2.256 1
1 451 . 17 1 1 A 58 58 CYS CB C 55 45.523 42.249 3.274 1
1 452 . 17 1 1 A 58 58 CYS N N 55 119.662 119.958 -0.296 1
1 453 . 17 1 1 A 59 59 LYS H H 56 9.277 8.361 0.916 1
1 454 . 17 1 1 A 59 59 LYS HA H 56 4.896 4.864 0.032 1
1 463 . 17 1 1 A 59 59 LYS C C 56 176.049 175.344 0.705 1
1 464 . 17 1 1 A 59 59 LYS CA C 56 53.903 54.963 -1.060 1
1 465 . 17 1 1 A 59 59 LYS CB C 56 40.637 36.254 4.383 1
1 469 . 17 1 1 A 59 59 LYS N N 56 120.535 124.766 -4.231 1
1 470 . 17 1 1 A 60 60 THR H H 57 7.997 8.644 -0.647 1
1 471 . 17 1 1 A 60 60 THR HA H 57 4.876 4.941 -0.065 1
1 476 . 17 1 1 A 60 60 THR C C 57 175.637 176.220 -0.583 1
1 477 . 17 1 1 A 60 60 THR CA C 57 61.017 61.655 -0.638 1
1 478 . 17 1 1 A 60 60 THR CB C 57 70.774 70.423 0.351 1
1 480 . 17 1 1 A 60 60 THR N N 57 108.910 115.672 -6.762 1
1 481 . 17 1 1 A 61 61 VAL H H 58 8.689 8.509 0.180 1
1 482 . 17 1 1 A 61 61 VAL HA H 58 3.477 3.650 -0.173 1
1 490 . 17 1 1 A 61 61 VAL C C 58 178.541 177.608 0.933 1
1 491 . 17 1 1 A 61 61 VAL CA C 58 67.024 67.188 -0.164 1
1 492 . 17 1 1 A 61 61 VAL CB C 58 31.751 31.843 -0.092 1
1 495 . 17 1 1 A 61 61 VAL N N 58 121.313 122.817 -1.504 1
1 496 . 17 1 1 A 62 62 GLN H H 59 8.564 8.472 0.092 1
1 497 . 17 1 1 A 62 62 GLN HA H 59 4.062 4.033 0.029 1
1 502 . 17 1 1 A 62 62 GLN C C 59 178.871 177.783 1.088 1
1 503 . 17 1 1 A 62 62 GLN CA C 59 58.993 58.664 0.329 1
1 504 . 17 1 1 A 62 62 GLN CB C 59 28.085 28.406 -0.321 1
1 506 . 17 1 1 A 62 62 GLN N N 59 119.395 119.378 0.017 1
1 507 . 17 1 1 A 63 63 GLN H H 60 7.644 7.661 -0.017 1
1 508 . 17 1 1 A 63 63 GLN HA H 60 4.082 4.117 -0.035 1
1 513 . 17 1 1 A 63 63 GLN C C 60 179.023 178.396 0.627 1
1 514 . 17 1 1 A 63 63 GLN CA C 60 58.106 58.373 -0.267 1
1 515 . 17 1 1 A 63 63 GLN CB C 60 29.283 27.447 1.836 1
1 517 . 17 1 1 A 63 63 GLN N N 60 116.638 118.577 -1.939 1
1 518 . 17 1 1 A 64 64 CYS H H 61 8.543 8.774 -0.231 1
1 519 . 17 1 1 A 64 64 CYS HA H 61 3.951 4.377 -0.426 1
1 522 . 17 1 1 A 64 64 CYS C C 61 176.171 176.317 -0.146 1
1 523 . 17 1 1 A 64 64 CYS CA C 61 64.735 59.086 5.649 1
1 524 . 17 1 1 A 64 64 CYS CB C 61 40.828 42.301 -1.473 1
1 525 . 17 1 1 A 64 64 CYS N N 61 118.614 118.449 0.165 1
1 526 . 17 1 1 A 65 65 ALA H H 62 7.791 7.717 0.074 1
1 527 . 17 1 1 A 65 65 ALA HA H 62 4.021 4.025 -0.004 1
1 531 . 17 1 1 A 65 65 ALA C C 62 180.353 179.471 0.882 1
1 532 . 17 1 1 A 65 65 ALA CA C 62 55.249 55.275 -0.026 1
1 533 . 17 1 1 A 65 65 ALA CB C 62 18.069 18.080 -0.011 1
1 534 . 17 1 1 A 65 65 ALA N N 62 119.479 123.268 -3.789 1
1 535 . 17 1 1 A 66 66 GLU H H 63 7.685 7.906 -0.221 1
1 536 . 17 1 1 A 66 66 GLU HA H 63 4.041 4.064 -0.023 1
1 541 . 17 1 1 A 66 66 GLU C C 63 179.701 179.247 0.454 1
1 542 . 17 1 1 A 66 66 GLU CA C 63 59.440 59.637 -0.197 1
1 543 . 17 1 1 A 66 66 GLU CB C 63 29.735 29.438 0.297 1
1 545 . 17 1 1 A 66 66 GLU N N 63 117.981 118.504 -0.523 1
1 546 . 17 1 1 A 67 67 VAL H H 64 7.795 8.346 -0.551 1
1 547 . 17 1 1 A 67 67 VAL HA H 64 3.826 4.482 -0.656 1
1 555 . 17 1 1 A 67 67 VAL C C 64 178.078 177.994 0.084 1
1 556 . 17 1 1 A 67 67 VAL CA C 64 66.262 66.010 0.252 1
1 557 . 17 1 1 A 67 67 VAL CB C 64 31.703 31.256 0.447 1
1 560 . 17 1 1 A 67 67 VAL N N 64 120.422 117.100 3.322 1
1 561 . 17 1 1 A 68 68 LEU H H 65 8.563 7.776 0.787 1
1 562 . 17 1 1 A 68 68 LEU HA H 65 3.897 3.982 -0.085 1
1 572 . 17 1 1 A 68 68 LEU C C 65 180.593 178.493 2.100 1
1 573 . 17 1 1 A 68 68 LEU CA C 65 58.495 58.687 -0.192 1
1 574 . 17 1 1 A 68 68 LEU CB C 65 41.633 41.437 0.196 1
1 578 . 17 1 1 A 68 68 LEU N N 65 119.314 125.362 -6.048 1
1 579 . 17 1 1 A 69 69 GLU H H 66 8.071 7.880 0.191 1
1 580 . 17 1 1 A 69 69 GLU HA H 66 3.947 4.035 -0.088 1
1 585 . 17 1 1 A 69 69 GLU C C 66 178.591 179.517 -0.926 1
1 586 . 17 1 1 A 69 69 GLU CA C 66 59.727 59.507 0.220 1
1 587 . 17 1 1 A 69 69 GLU CB C 66 29.549 28.977 0.572 1
1 589 . 17 1 1 A 69 69 GLU N N 66 120.124 118.429 1.695 1
1 590 . 17 1 1 A 70 70 GLU H H 67 7.471 8.095 -0.624 1
1 591 . 17 1 1 A 70 70 GLU HA H 67 4.111 4.089 0.022 1
1 596 . 17 1 1 A 70 70 GLU C C 67 179.873 178.304 1.569 1
1 597 . 17 1 1 A 70 70 GLU CA C 67 59.439 59.289 0.150 1
1 598 . 17 1 1 A 70 70 GLU CB C 67 30.021 29.228 0.793 1
1 600 . 17 1 1 A 70 70 GLU N N 67 119.545 118.735 0.810 1
1 601 . 17 1 1 A 71 71 VAL H H 68 8.790 7.440 1.350 1
1 602 . 17 1 1 A 71 71 VAL HA H 68 4.137 3.885 0.252 1
1 610 . 17 1 1 A 71 71 VAL C C 68 178.818 178.436 0.382 1
1 611 . 17 1 1 A 71 71 VAL CA C 68 64.321 65.598 -1.277 1
1 612 . 17 1 1 A 71 71 VAL CB C 68 31.230 31.481 -0.251 1
1 615 . 17 1 1 A 71 71 VAL N N 68 111.497 116.380 -4.883 1
1 616 . 17 1 1 A 72 72 THR H H 69 8.231 8.032 0.199 1
1 617 . 17 1 1 A 72 72 THR HA H 69 4.161 3.920 0.241 1
1 622 . 17 1 1 A 72 72 THR C C 69 177.502 176.978 0.524 1
1 623 . 17 1 1 A 72 72 THR CA C 69 66.179 66.259 -0.080 1
1 624 . 17 1 1 A 72 72 THR CB C 69 68.770 68.570 0.200 1
1 626 . 17 1 1 A 72 72 THR N N 69 118.078 116.842 1.236 1
1 627 . 17 1 1 A 73 73 ALA H H 70 7.177 8.378 -1.201 1
1 628 . 17 1 1 A 73 73 ALA HA H 70 4.139 4.190 -0.051 1
1 632 . 17 1 1 A 73 73 ALA C C 70 179.116 178.972 0.144 1
1 633 . 17 1 1 A 73 73 ALA CA C 70 54.690 54.561 0.129 1
1 634 . 17 1 1 A 73 73 ALA CB C 70 18.039 18.255 -0.216 1
1 635 . 17 1 1 A 73 73 ALA N N 70 123.757 122.922 0.835 1
1 636 . 17 1 1 A 74 74 ILE H H 71 6.874 7.378 -0.504 1
1 637 . 17 1 1 A 74 74 ILE HA H 71 3.988 4.110 -0.122 1
1 647 . 17 1 1 A 74 74 ILE C C 71 176.201 176.013 0.188 1
1 648 . 17 1 1 A 74 74 ILE CA C 71 61.927 61.685 0.242 1
1 649 . 17 1 1 A 74 74 ILE CB C 71 38.431 38.658 -0.227 1
1 653 . 17 1 1 A 74 74 ILE N N 71 113.131 115.420 -2.289 1
1 654 . 17 1 1 A 75 75 GLY H H 72 7.476 7.727 -0.251 1
1 655 . 17 1 1 A 75 75 GLY HA2 H 72 3.663 3.774 -0.111 1
1 656 . 17 1 1 A 75 75 GLY HA3 H 72 4.166 3.901 0.265 1
1 657 . 17 1 1 A 75 75 GLY C C 72 174.832 173.709 1.123 1
1 658 . 17 1 1 A 75 75 GLY CA C 72 45.144 44.840 0.304 1
1 659 . 17 1 1 A 75 75 GLY N N 72 106.405 108.244 -1.839 1
1 660 . 17 1 1 A 76 76 TYR H H 73 7.340 7.967 -0.627 1
1 661 . 17 1 1 A 76 76 TYR HA H 73 5.184 4.788 0.396 1
1 668 . 17 1 1 A 76 76 TYR C C 73 173.889 173.966 -0.077 1
1 669 . 17 1 1 A 76 76 TYR CA C 73 52.922 55.413 -2.491 1
1 670 . 17 1 1 A 76 76 TYR CB C 73 36.723 39.372 -2.649 1
1 675 . 17 1 1 A 76 76 TYR N N 73 122.416 120.215 2.201 1
1 676 . 17 1 1 A 77 77 PRO HA H 74 4.394 4.454 -0.060 1
1 683 . 17 1 1 A 77 77 PRO C C 74 175.722 175.869 -0.147 1
1 684 . 17 1 1 A 77 77 PRO CA C 74 63.242 63.289 -0.047 1
1 685 . 17 1 1 A 77 77 PRO CB C 74 32.460 32.239 0.221 1
1 688 . 17 1 1 A 78 78 ALA H H 75 7.778 8.476 -0.698 1
1 689 . 17 1 1 A 78 78 ALA HA H 75 5.239 5.631 -0.392 1
1 693 . 17 1 1 A 78 78 ALA C C 75 176.207 175.435 0.772 1
1 694 . 17 1 1 A 78 78 ALA CA C 75 51.422 50.619 0.803 1
1 695 . 17 1 1 A 78 78 ALA CB C 75 25.258 24.023 1.235 1
1 696 . 17 1 1 A 78 78 ALA N N 75 122.638 123.446 -0.808 1
1 697 . 17 1 1 A 79 79 LYS H H 76 9.213 9.106 0.107 1
1 698 . 17 1 1 A 79 79 LYS HA H 76 4.632 5.059 -0.427 1
1 707 . 17 1 1 A 79 79 LYS C C 76 173.669 174.601 -0.932 1
1 708 . 17 1 1 A 79 79 LYS CA C 76 55.912 54.760 1.152 1
1 709 . 17 1 1 A 79 79 LYS CB C 76 36.309 35.772 0.537 1
1 713 . 17 1 1 A 79 79 LYS N N 76 115.751 115.608 0.143 1
1 714 . 17 1 1 A 80 80 CYS H H 77 8.602 9.141 -0.539 1
1 715 . 17 1 1 A 80 80 CYS HA H 77 5.535 5.674 -0.139 1
1 718 . 17 1 1 A 80 80 CYS C C 77 174.029 172.689 1.340 1
1 719 . 17 1 1 A 80 80 CYS CA C 77 56.029 54.750 1.279 1
1 720 . 17 1 1 A 80 80 CYS CB C 77 47.796 43.001 4.795 1
1 721 . 17 1 1 A 80 80 CYS N N 77 119.633 122.082 -2.449 1
1 722 . 17 1 1 A 81 81 CYS H H 78 9.428 9.386 0.042 1
1 723 . 17 1 1 A 81 81 CYS HA H 78 5.391 5.256 0.135 1
1 726 . 17 1 1 A 81 81 CYS C C 78 173.980 172.383 1.597 1
1 727 . 17 1 1 A 81 81 CYS CA C 78 54.237 54.774 -0.537 1
1 728 . 17 1 1 A 81 81 CYS CB C 78 47.557 45.830 1.727 1
1 729 . 17 1 1 A 81 81 CYS N N 78 120.091 126.998 -6.907 1
1 730 . 17 1 1 A 82 82 CYS H H 79 9.291 8.974 0.317 1
1 731 . 17 1 1 A 82 82 CYS HA H 79 5.134 5.121 0.013 1
1 734 . 17 1 1 A 82 82 CYS C C 79 172.349 173.342 -0.993 1
1 735 . 17 1 1 A 82 82 CYS CA C 79 56.628 57.373 -0.745 1
1 736 . 17 1 1 A 82 82 CYS CB C 79 46.122 28.358 17.764 1
1 737 . 17 1 1 A 82 82 CYS N N 79 117.137 122.959 -5.822 1
1 738 . 17 1 1 A 83 83 GLU H H 80 7.283 8.562 -1.279 1
1 739 . 17 1 1 A 83 83 GLU HA H 80 4.625 4.709 -0.084 1
1 744 . 17 1 1 A 83 83 GLU C C 80 174.435 174.670 -0.235 1
1 745 . 17 1 1 A 83 83 GLU CA C 80 54.873 56.126 -1.253 1
1 746 . 17 1 1 A 83 83 GLU CB C 80 33.106 33.520 -0.414 1
1 748 . 17 1 1 A 83 83 GLU N N 80 120.821 125.858 -5.037 1
1 749 . 17 1 1 A 84 84 ASP H H 81 8.433 8.733 -0.300 1
1 750 . 17 1 1 A 84 84 ASP HA H 81 4.956 4.648 0.308 1
1 753 . 17 1 1 A 84 84 ASP C C 81 178.149 176.773 1.376 1
1 754 . 17 1 1 A 84 84 ASP CA C 81 55.409 55.269 0.140 1
1 755 . 17 1 1 A 84 84 ASP CB C 81 40.817 40.784 0.033 1
1 756 . 17 1 1 A 84 84 ASP N N 81 121.789 124.080 -2.291 1
1 757 . 17 1 1 A 85 85 LEU H H 82 9.244 8.884 0.360 1
1 758 . 17 1 1 A 85 85 LEU HA H 82 3.308 3.871 -0.563 1
1 765 . 17 1 1 A 85 85 LEU C C 82 176.858 176.698 0.160 1
1 766 . 17 1 1 A 85 85 LEU CA C 82 56.047 56.728 -0.681 1
1 767 . 17 1 1 A 85 85 LEU CB C 82 36.885 39.663 -2.778 1
1 770 . 17 1 1 A 85 85 LEU N N 82 114.422 118.115 -3.693 1
1 771 . 17 1 1 A 86 86 CYS H H 83 8.005 7.782 0.223 1
1 772 . 17 1 1 A 86 86 CYS HA H 83 4.547 4.421 0.126 1
1 775 . 17 1 1 A 86 86 CYS C C 83 174.632 174.968 -0.336 1
1 776 . 17 1 1 A 86 86 CYS CA C 83 57.206 58.123 -0.917 1
1 777 . 17 1 1 A 86 86 CYS CB C 83 47.155 41.818 5.337 1
1 778 . 17 1 1 A 86 86 CYS N N 83 112.558 117.604 -5.046 1
1 779 . 17 1 1 A 87 87 ASN H H 84 8.859 8.309 0.550 1
1 780 . 17 1 1 A 87 87 ASN HA H 84 4.526 4.736 -0.210 1
1 783 . 17 1 1 A 87 87 ASN C C 84 172.146 175.024 -2.878 1
1 784 . 17 1 1 A 87 87 ASN CA C 84 52.617 52.293 0.324 1
1 785 . 17 1 1 A 87 87 ASN CB C 84 36.673 37.389 -0.716 1
1 786 . 17 1 1 A 87 87 ASN N N 84 119.985 115.190 4.795 1
1 787 . 17 1 1 A 88 88 ARG H H 85 7.353 7.266 0.087 1
1 788 . 17 1 1 A 88 88 ARG HA H 85 3.734 4.010 -0.276 1
1 795 . 17 1 1 A 88 88 ARG C C 85 173.901 175.102 -1.201 1
1 796 . 17 1 1 A 88 88 ARG CA C 85 55.058 55.528 -0.470 1
1 797 . 17 1 1 A 88 88 ARG CB C 85 31.857 30.666 1.191 1
1 800 . 17 1 1 A 88 88 ARG N N 85 118.446 122.213 -3.767 1
1 801 . 17 1 1 A 89 89 SER H H 86 7.987 8.237 -0.250 1
1 802 . 17 1 1 A 89 89 SER HA H 86 3.689 3.585 0.104 1
1 805 . 17 1 1 A 89 89 SER C C 86 174.342 175.289 -0.947 1
1 806 . 17 1 1 A 89 89 SER CA C 86 57.844 57.560 0.284 1
1 807 . 17 1 1 A 89 89 SER CB C 86 63.504 64.334 -0.830 1
1 808 . 17 1 1 A 89 89 SER N N 86 115.514 117.827 -2.313 1
1 809 . 17 1 1 A 90 90 GLU H H 87 8.461 8.605 -0.144 1
1 810 . 17 1 1 A 90 90 GLU HA H 87 4.125 3.985 0.140 1
1 815 . 17 1 1 A 90 90 GLU C C 87 175.632 177.035 -1.403 1
1 816 . 17 1 1 A 90 90 GLU CA C 87 56.799 59.101 -2.302 1
1 817 . 17 1 1 A 90 90 GLU CB C 87 30.049 30.153 -0.104 1
1 819 . 17 1 1 A 90 90 GLU N N 87 122.917 123.387 -0.470 1
1 16 . 18 1 1 A 22 22 ALA H H 19 8.052 8.685 -0.633 1
1 17 . 18 1 1 A 22 22 ALA HA H 19 4.191 4.571 -0.380 1
1 21 . 18 1 1 A 22 22 ALA C C 19 176.151 176.419 -0.268 1
1 22 . 18 1 1 A 22 22 ALA CA C 19 51.960 51.806 0.154 1
1 23 . 18 1 1 A 22 22 ALA CB C 19 19.784 18.840 0.944 1
1 24 . 18 1 1 A 22 22 ALA N N 19 125.891 129.826 -3.935 1
1 25 . 18 1 1 A 23 23 LEU H H 20 8.117 8.889 -0.772 1
1 26 . 18 1 1 A 23 23 LEU HA H 20 4.273 4.827 -0.554 1
1 36 . 18 1 1 A 23 23 LEU C C 20 174.307 174.610 -0.303 1
1 37 . 18 1 1 A 23 23 LEU CA C 20 54.838 54.283 0.555 1
1 38 . 18 1 1 A 23 23 LEU CB C 20 44.574 44.342 0.232 1
1 42 . 18 1 1 A 23 23 LEU N N 20 125.488 126.392 -0.904 1
1 43 . 18 1 1 A 24 24 LYS H H 21 7.915 8.764 -0.849 1
1 44 . 18 1 1 A 24 24 LYS HA H 21 5.287 5.133 0.154 1
1 53 . 18 1 1 A 24 24 LYS C C 21 175.901 175.475 0.426 1
1 54 . 18 1 1 A 24 24 LYS CA C 21 54.174 55.180 -1.006 1
1 55 . 18 1 1 A 24 24 LYS CB C 21 34.841 33.223 1.618 1
1 59 . 18 1 1 A 24 24 LYS N N 21 122.369 124.346 -1.977 1
1 60 . 18 1 1 A 25 25 CYS H H 22 8.426 8.427 -0.001 1
1 61 . 18 1 1 A 25 25 CYS HA H 22 4.886 5.159 -0.273 1
1 64 . 18 1 1 A 25 25 CYS C C 22 175.309 173.088 2.221 1
1 65 . 18 1 1 A 25 25 CYS CA C 22 51.680 55.065 -3.385 1
1 66 . 18 1 1 A 25 25 CYS CB C 22 41.829 45.411 -3.582 1
1 67 . 18 1 1 A 25 25 CYS N N 22 117.505 122.849 -5.344 1
1 68 . 18 1 1 A 26 26 PHE H H 23 8.960 9.053 -0.093 1
1 69 . 18 1 1 A 26 26 PHE HA H 23 5.057 5.215 -0.158 1
1 74 . 18 1 1 A 26 26 PHE C C 23 176.694 175.545 1.149 1
1 75 . 18 1 1 A 26 26 PHE CA C 23 60.302 57.605 2.697 1
1 76 . 18 1 1 A 26 26 PHE CB C 23 39.490 40.343 -0.853 1
1 79 . 18 1 1 A 26 26 PHE N N 23 120.038 121.591 -1.553 1
1 80 . 18 1 1 A 27 27 THR H H 24 9.071 8.942 0.129 1
1 81 . 18 1 1 A 27 27 THR HA H 24 4.960 5.045 -0.085 1
1 86 . 18 1 1 A 27 27 THR C C 24 173.722 173.372 0.350 1
1 87 . 18 1 1 A 27 27 THR CA C 24 59.835 60.495 -0.660 1
1 88 . 18 1 1 A 27 27 THR CB C 24 71.382 70.142 1.240 1
1 90 . 18 1 1 A 27 27 THR N N 24 114.266 115.268 -1.002 1
1 91 . 18 1 1 A 28 28 ARG H H 25 8.398 8.844 -0.446 1
1 92 . 18 1 1 A 28 28 ARG HA H 25 5.158 4.673 0.485 1
1 99 . 18 1 1 A 28 28 ARG C C 25 175.547 175.031 0.516 1
1 100 . 18 1 1 A 28 28 ARG CA C 25 54.586 56.161 -1.575 1
1 101 . 18 1 1 A 28 28 ARG CB C 25 32.443 30.859 1.584 1
1 104 . 18 1 1 A 28 28 ARG N N 25 123.189 125.479 -2.290 1
1 105 . 18 1 1 A 29 29 ASN H H 26 8.589 9.024 -0.435 1
1 106 . 18 1 1 A 29 29 ASN HA H 26 4.938 5.061 -0.123 1
1 109 . 18 1 1 A 29 29 ASN C C 26 175.273 175.428 -0.155 1
1 110 . 18 1 1 A 29 29 ASN CA C 26 52.276 51.694 0.582 1
1 111 . 18 1 1 A 29 29 ASN CB C 26 39.660 39.302 0.358 1
1 112 . 18 1 1 A 29 29 ASN N N 26 125.242 126.193 -0.951 1
1 113 . 18 1 1 A 30 30 GLY H H 27 9.046 8.892 0.154 1
1 114 . 18 1 1 A 30 30 GLY HA2 H 27 3.649 3.888 -0.239 1
1 115 . 18 1 1 A 30 30 GLY HA3 H 27 3.996 3.889 0.107 1
1 116 . 18 1 1 A 30 30 GLY C C 27 174.707 174.521 0.186 1
1 117 . 18 1 1 A 30 30 GLY CA C 27 46.906 47.452 -0.546 1
1 118 . 18 1 1 A 30 30 GLY N N 27 115.613 116.042 -0.429 1
1 119 . 18 1 1 A 31 31 ASP H H 28 8.956 8.786 0.170 1
1 120 . 18 1 1 A 31 31 ASP HA H 28 4.648 4.646 0.002 1
1 123 . 18 1 1 A 31 31 ASP C C 28 175.670 175.525 0.145 1
1 124 . 18 1 1 A 31 31 ASP CA C 28 54.939 54.447 0.492 1
1 125 . 18 1 1 A 31 31 ASP CB C 28 41.505 40.981 0.524 1
1 126 . 18 1 1 A 31 31 ASP N N 28 126.791 127.352 -0.561 1
1 127 . 18 1 1 A 32 32 ASP H H 29 7.973 7.302 0.671 1
1 128 . 18 1 1 A 32 32 ASP HA H 29 4.778 4.797 -0.019 1
1 131 . 18 1 1 A 32 32 ASP C C 29 174.871 175.258 -0.387 1
1 132 . 18 1 1 A 32 32 ASP CA C 29 54.192 53.937 0.255 1
1 133 . 18 1 1 A 32 32 ASP CB C 29 42.663 42.819 -0.156 1
1 134 . 18 1 1 A 32 32 ASP N N 29 120.240 120.825 -0.585 1
1 135 . 18 1 1 A 33 33 ARG H H 30 8.682 9.109 -0.427 1
1 136 . 18 1 1 A 33 33 ARG HA H 30 5.020 5.381 -0.361 1
1 143 . 18 1 1 A 33 33 ARG C C 30 175.569 174.952 0.617 1
1 144 . 18 1 1 A 33 33 ARG CA C 30 55.487 54.516 0.971 1
1 145 . 18 1 1 A 33 33 ARG CB C 30 31.962 32.403 -0.441 1
1 148 . 18 1 1 A 33 33 ARG N N 30 125.183 122.238 2.945 1
1 149 . 18 1 1 A 34 34 THR H H 31 8.976 9.228 -0.252 1
1 150 . 18 1 1 A 34 34 THR HA H 31 4.764 4.857 -0.093 1
1 155 . 18 1 1 A 34 34 THR C C 31 172.745 174.344 -1.599 1
1 156 . 18 1 1 A 34 34 THR CA C 31 59.891 62.236 -2.345 1
1 157 . 18 1 1 A 34 34 THR CB C 31 71.522 69.834 1.688 1
1 159 . 18 1 1 A 34 34 THR N N 31 120.162 120.420 -0.258 1
1 160 . 18 1 1 A 35 35 VAL H H 32 8.286 8.436 -0.150 1
1 161 . 18 1 1 A 35 35 VAL HA H 32 4.110 3.773 0.337 1
1 169 . 18 1 1 A 35 35 VAL C C 32 175.720 175.456 0.264 1
1 170 . 18 1 1 A 35 35 VAL CA C 32 62.838 63.155 -0.317 1
1 171 . 18 1 1 A 35 35 VAL CB C 32 32.883 30.693 2.190 1
1 174 . 18 1 1 A 35 35 VAL N N 32 122.209 127.291 -5.082 1
1 175 . 18 1 1 A 36 36 THR H H 33 8.749 8.522 0.227 1
1 176 . 18 1 1 A 36 36 THR HA H 33 4.486 5.268 -0.782 1
1 181 . 18 1 1 A 36 36 THR C C 33 173.029 172.723 0.306 1
1 182 . 18 1 1 A 36 36 THR CA C 33 61.029 59.912 1.117 1
1 183 . 18 1 1 A 36 36 THR CB C 33 71.425 71.622 -0.197 1
1 185 . 18 1 1 A 36 36 THR N N 33 125.259 118.145 7.114 1
1 186 . 18 1 1 A 37 37 THR H H 34 8.544 8.795 -0.251 1
1 187 . 18 1 1 A 37 37 THR HA H 34 4.371 4.504 -0.133 1
1 192 . 18 1 1 A 37 37 THR C C 34 173.839 174.474 -0.635 1
1 193 . 18 1 1 A 37 37 THR CA C 34 62.892 61.077 1.815 1
1 194 . 18 1 1 A 37 37 THR CB C 34 68.156 68.697 -0.541 1
1 196 . 18 1 1 A 37 37 THR N N 34 122.774 119.293 3.481 1
1 197 . 18 1 1 A 38 38 CYS H H 35 9.227 8.988 0.239 1
1 198 . 18 1 1 A 38 38 CYS HA H 35 4.516 4.778 -0.262 1
1 201 . 18 1 1 A 38 38 CYS C C 35 174.923 173.715 1.208 1
1 202 . 18 1 1 A 38 38 CYS CA C 35 52.962 55.488 -2.526 1
1 203 . 18 1 1 A 38 38 CYS CB C 35 37.439 44.524 -7.085 1
1 204 . 18 1 1 A 38 38 CYS N N 35 129.056 127.520 1.536 1
1 205 . 18 1 1 A 39 39 ALA H H 36 8.113 8.940 -0.827 1
1 206 . 18 1 1 A 39 39 ALA HA H 36 4.313 4.454 -0.141 1
1 210 . 18 1 1 A 39 39 ALA C C 36 178.809 178.379 0.430 1
1 211 . 18 1 1 A 39 39 ALA CA C 36 52.125 51.942 0.183 1
1 212 . 18 1 1 A 39 39 ALA CB C 36 19.235 19.540 -0.305 1
1 213 . 18 1 1 A 39 39 ALA N N 36 122.621 124.620 -1.999 1
1 214 . 18 1 1 A 40 40 GLU H H 37 8.701 9.019 -0.318 1
1 215 . 18 1 1 A 40 40 GLU HA H 37 3.826 3.965 -0.139 1
1 220 . 18 1 1 A 40 40 GLU C C 37 177.999 178.175 -0.176 1
1 221 . 18 1 1 A 40 40 GLU CA C 37 60.104 59.593 0.511 1
1 222 . 18 1 1 A 40 40 GLU CB C 37 29.712 29.294 0.418 1
1 224 . 18 1 1 A 40 40 GLU N N 37 120.905 119.829 1.076 1
1 225 . 18 1 1 A 41 41 GLU H H 38 8.870 8.756 0.114 1
1 226 . 18 1 1 A 41 41 GLU HA H 38 4.233 4.123 0.110 1
1 231 . 18 1 1 A 41 41 GLU C C 38 176.790 177.135 -0.345 1
1 232 . 18 1 1 A 41 41 GLU CA C 38 57.438 58.927 -1.489 1
1 233 . 18 1 1 A 41 41 GLU CB C 38 28.813 29.070 -0.257 1
1 235 . 18 1 1 A 41 41 GLU N N 38 113.838 117.232 -3.394 1
1 236 . 18 1 1 A 42 42 GLN H H 39 7.935 7.648 0.287 1
1 237 . 18 1 1 A 42 42 GLN HA H 39 4.069 4.568 -0.499 1
1 242 . 18 1 1 A 42 42 GLN C C 39 174.033 176.098 -2.065 1
1 243 . 18 1 1 A 42 42 GLN CA C 39 55.177 54.435 0.742 1
1 244 . 18 1 1 A 42 42 GLN CB C 39 28.144 27.309 0.835 1
1 246 . 18 1 1 A 42 42 GLN N N 39 120.919 119.348 1.571 1
1 247 . 18 1 1 A 43 43 THR H H 40 6.846 8.262 -1.416 1
1 248 . 18 1 1 A 43 43 THR HA H 40 4.340 4.547 -0.207 1
1 253 . 18 1 1 A 43 43 THR C C 40 175.221 173.847 1.374 1
1 254 . 18 1 1 A 43 43 THR CA C 40 60.677 61.656 -0.979 1
1 255 . 18 1 1 A 43 43 THR CB C 40 68.516 69.093 -0.577 1
1 257 . 18 1 1 A 43 43 THR N N 40 109.859 114.668 -4.809 1
1 258 . 18 1 1 A 44 44 ARG H H 41 8.496 7.466 1.030 1
1 259 . 18 1 1 A 44 44 ARG HA H 41 5.001 4.801 0.200 1
1 266 . 18 1 1 A 44 44 ARG C C 41 174.082 174.041 0.041 1
1 267 . 18 1 1 A 44 44 ARG CA C 41 52.838 54.280 -1.442 1
1 268 . 18 1 1 A 44 44 ARG CB C 41 34.466 33.588 0.878 1
1 271 . 18 1 1 A 44 44 ARG N N 41 122.000 121.941 0.059 1
1 272 . 18 1 1 A 45 45 CYS H H 42 8.814 9.032 -0.218 1
1 273 . 18 1 1 A 45 45 CYS HA H 42 5.566 5.300 0.266 1
1 276 . 18 1 1 A 45 45 CYS C C 42 173.806 171.575 2.231 1
1 277 . 18 1 1 A 45 45 CYS CA C 42 51.956 54.986 -3.030 1
1 278 . 18 1 1 A 45 45 CYS CB C 42 38.526 45.862 -7.336 1
1 279 . 18 1 1 A 45 45 CYS N N 42 115.378 120.266 -4.888 1
1 280 . 18 1 1 A 46 46 LEU H H 43 9.234 9.379 -0.145 1
1 281 . 18 1 1 A 46 46 LEU HA H 43 5.382 4.969 0.413 1
1 291 . 18 1 1 A 46 46 LEU C C 43 176.639 175.377 1.262 1
1 292 . 18 1 1 A 46 46 LEU CA C 43 53.739 53.661 0.078 1
1 293 . 18 1 1 A 46 46 LEU CB C 43 46.024 43.857 2.167 1
1 297 . 18 1 1 A 46 46 LEU N N 43 122.940 128.313 -5.373 1
1 298 . 18 1 1 A 47 47 PHE H H 44 9.048 8.830 0.218 1
1 299 . 18 1 1 A 47 47 PHE HA H 44 5.700 5.872 -0.172 1
1 306 . 18 1 1 A 47 47 PHE C C 44 173.708 173.594 0.114 1
1 307 . 18 1 1 A 47 47 PHE CA C 44 56.494 55.521 0.973 1
1 308 . 18 1 1 A 47 47 PHE CB C 44 44.246 42.046 2.200 1
1 313 . 18 1 1 A 47 47 PHE N N 44 128.522 127.781 0.741 1
1 314 . 18 1 1 A 48 48 VAL H H 45 8.086 8.622 -0.536 1
1 315 . 18 1 1 A 48 48 VAL HA H 45 4.234 4.314 -0.080 1
1 323 . 18 1 1 A 48 48 VAL C C 45 173.728 173.966 -0.238 1
1 324 . 18 1 1 A 48 48 VAL CA C 45 61.110 60.969 0.141 1
1 325 . 18 1 1 A 48 48 VAL CB C 45 36.121 33.097 3.024 1
1 328 . 18 1 1 A 48 48 VAL N N 45 124.455 127.618 -3.163 1
1 329 . 18 1 1 A 49 49 GLN H H 46 8.391 9.229 -0.838 1
1 330 . 18 1 1 A 49 49 GLN HA H 46 4.155 4.416 -0.261 1
1 335 . 18 1 1 A 49 49 GLN C C 46 174.214 174.727 -0.513 1
1 336 . 18 1 1 A 49 49 GLN CA C 46 54.491 54.605 -0.114 1
1 337 . 18 1 1 A 49 49 GLN CB C 46 29.986 30.244 -0.258 1
1 339 . 18 1 1 A 49 49 GLN N N 46 126.537 126.693 -0.156 1
1 340 . 18 1 1 A 50 50 LEU H H 47 7.646 8.400 -0.754 1
1 341 . 18 1 1 A 50 50 LEU HA H 47 3.856 4.761 -0.905 1
1 351 . 18 1 1 A 50 50 LEU C C 47 175.649 176.483 -0.834 1
1 352 . 18 1 1 A 50 50 LEU CA C 47 53.706 51.881 1.825 1
1 353 . 18 1 1 A 50 50 LEU CB C 47 39.821 42.376 -2.555 1
1 357 . 18 1 1 A 50 50 LEU N N 47 127.637 127.574 0.063 1
1 358 . 18 1 1 A 51 51 PRO HA H 48 3.921 4.556 -0.635 1
1 365 . 18 1 1 A 51 51 PRO C C 48 177.492 176.826 0.666 1
1 366 . 18 1 1 A 51 51 PRO CA C 48 65.923 64.226 1.697 1
1 367 . 18 1 1 A 51 51 PRO CB C 48 31.509 31.807 -0.298 1
1 370 . 18 1 1 A 52 52 TYR H H 49 7.517 8.049 -0.532 1
1 371 . 18 1 1 A 52 52 TYR HA H 49 4.790 4.803 -0.013 1
1 378 . 18 1 1 A 52 52 TYR C C 49 175.214 174.638 0.576 1
1 379 . 18 1 1 A 52 52 TYR CA C 49 55.767 57.560 -1.793 1
1 380 . 18 1 1 A 52 52 TYR CB C 49 39.277 40.674 -1.397 1
1 385 . 18 1 1 A 52 52 TYR N N 49 109.643 116.506 -6.863 1
1 386 . 18 1 1 A 53 53 SER H H 50 6.986 7.586 -0.600 1
1 387 . 18 1 1 A 53 53 SER HA H 50 4.409 4.825 -0.416 1
1 390 . 18 1 1 A 53 53 SER C C 50 171.925 172.732 -0.807 1
1 391 . 18 1 1 A 53 53 SER CA C 50 57.189 56.428 0.761 1
1 392 . 18 1 1 A 53 53 SER CB C 50 63.786 66.244 -2.458 1
1 393 . 18 1 1 A 53 53 SER N N 50 112.994 113.074 -0.080 1
1 394 . 18 1 1 A 54 54 GLU H H 51 7.890 8.964 -1.074 1
1 395 . 18 1 1 A 54 54 GLU HA H 51 4.903 4.878 0.025 1
1 400 . 18 1 1 A 54 54 GLU C C 51 175.536 173.987 1.549 1
1 401 . 18 1 1 A 54 54 GLU CA C 51 54.722 54.530 0.192 1
1 402 . 18 1 1 A 54 54 GLU CB C 51 33.225 33.673 -0.448 1
1 404 . 18 1 1 A 54 54 GLU N N 51 115.330 117.156 -1.826 1
1 405 . 18 1 1 A 55 55 ILE H H 52 8.600 8.480 0.120 1
1 406 . 18 1 1 A 55 55 ILE HA H 52 4.302 4.638 -0.336 1
1 416 . 18 1 1 A 55 55 ILE C C 52 175.783 175.358 0.425 1
1 417 . 18 1 1 A 55 55 ILE CA C 52 60.360 59.828 0.532 1
1 418 . 18 1 1 A 55 55 ILE CB C 52 39.228 38.724 0.504 1
1 422 . 18 1 1 A 55 55 ILE N N 52 122.129 123.514 -1.385 1
1 423 . 18 1 1 A 56 56 GLN H H 53 8.573 8.755 -0.182 1
1 424 . 18 1 1 A 56 56 GLN HA H 53 5.394 5.643 -0.249 1
1 429 . 18 1 1 A 56 56 GLN C C 53 174.379 174.525 -0.146 1
1 430 . 18 1 1 A 56 56 GLN CA C 53 54.790 54.507 0.283 1
1 431 . 18 1 1 A 56 56 GLN CB C 53 33.315 32.425 0.890 1
1 433 . 18 1 1 A 56 56 GLN N N 53 126.768 125.431 1.337 1
1 434 . 18 1 1 A 57 57 GLU H H 54 7.782 8.797 -1.015 1
1 435 . 18 1 1 A 57 57 GLU HA H 54 4.967 4.906 0.061 1
1 440 . 18 1 1 A 57 57 GLU C C 54 176.345 174.077 2.268 1
1 441 . 18 1 1 A 57 57 GLU CA C 54 55.405 55.124 0.281 1
1 442 . 18 1 1 A 57 57 GLU CB C 54 36.080 32.842 3.238 1
1 444 . 18 1 1 A 57 57 GLU N N 54 117.990 120.594 -2.604 1
1 445 . 18 1 1 A 58 58 CYS H H 55 8.780 8.404 0.376 1
1 446 . 18 1 1 A 58 58 CYS HA H 55 5.145 5.314 -0.169 1
1 449 . 18 1 1 A 58 58 CYS C C 55 175.293 173.419 1.874 1
1 450 . 18 1 1 A 58 58 CYS CA C 55 57.749 54.901 2.848 1
1 451 . 18 1 1 A 58 58 CYS CB C 55 45.523 43.868 1.655 1
1 452 . 18 1 1 A 58 58 CYS N N 55 119.662 119.759 -0.097 1
1 453 . 18 1 1 A 59 59 LYS H H 56 9.277 8.759 0.518 1
1 454 . 18 1 1 A 59 59 LYS HA H 56 4.896 4.892 0.004 1
1 463 . 18 1 1 A 59 59 LYS C C 56 176.049 175.752 0.297 1
1 464 . 18 1 1 A 59 59 LYS CA C 56 53.903 54.389 -0.486 1
1 465 . 18 1 1 A 59 59 LYS CB C 56 40.637 36.718 3.919 1
1 469 . 18 1 1 A 59 59 LYS N N 56 120.535 124.256 -3.721 1
1 470 . 18 1 1 A 60 60 THR H H 57 7.997 8.789 -0.792 1
1 471 . 18 1 1 A 60 60 THR HA H 57 4.876 4.690 0.186 1
1 476 . 18 1 1 A 60 60 THR C C 57 175.637 176.251 -0.614 1
1 477 . 18 1 1 A 60 60 THR CA C 57 61.017 60.811 0.206 1
1 478 . 18 1 1 A 60 60 THR CB C 57 70.774 71.083 -0.309 1
1 480 . 18 1 1 A 60 60 THR N N 57 108.910 112.734 -3.824 1
1 481 . 18 1 1 A 61 61 VAL H H 58 8.689 8.350 0.339 1
1 482 . 18 1 1 A 61 61 VAL HA H 58 3.477 3.652 -0.175 1
1 490 . 18 1 1 A 61 61 VAL C C 58 178.541 177.561 0.980 1
1 491 . 18 1 1 A 61 61 VAL CA C 58 67.024 66.994 0.030 1
1 492 . 18 1 1 A 61 61 VAL CB C 58 31.751 31.674 0.077 1
1 495 . 18 1 1 A 61 61 VAL N N 58 121.313 122.523 -1.210 1
1 496 . 18 1 1 A 62 62 GLN H H 59 8.564 8.053 0.511 1
1 497 . 18 1 1 A 62 62 GLN HA H 59 4.062 3.992 0.070 1
1 502 . 18 1 1 A 62 62 GLN C C 59 178.871 178.491 0.380 1
1 503 . 18 1 1 A 62 62 GLN CA C 59 58.993 59.086 -0.093 1
1 504 . 18 1 1 A 62 62 GLN CB C 59 28.085 28.568 -0.483 1
1 506 . 18 1 1 A 62 62 GLN N N 59 119.395 119.576 -0.181 1
1 507 . 18 1 1 A 63 63 GLN H H 60 7.644 8.109 -0.465 1
1 508 . 18 1 1 A 63 63 GLN HA H 60 4.082 4.483 -0.401 1
1 513 . 18 1 1 A 63 63 GLN C C 60 179.023 178.908 0.115 1
1 514 . 18 1 1 A 63 63 GLN CA C 60 58.106 59.440 -1.334 1
1 515 . 18 1 1 A 63 63 GLN CB C 60 29.283 28.346 0.937 1
1 517 . 18 1 1 A 63 63 GLN N N 60 116.638 117.704 -1.066 1
1 518 . 18 1 1 A 64 64 CYS H H 61 8.543 8.109 0.434 1
1 519 . 18 1 1 A 64 64 CYS HA H 61 3.951 4.323 -0.372 1
1 522 . 18 1 1 A 64 64 CYS C C 61 176.171 176.031 0.140 1
1 523 . 18 1 1 A 64 64 CYS CA C 61 64.735 59.151 5.584 1
1 524 . 18 1 1 A 64 64 CYS CB C 61 40.828 42.294 -1.466 1
1 525 . 18 1 1 A 64 64 CYS N N 61 118.614 118.534 0.080 1
1 526 . 18 1 1 A 65 65 ALA H H 62 7.791 7.898 -0.107 1
1 527 . 18 1 1 A 65 65 ALA HA H 62 4.021 3.999 0.022 1
1 531 . 18 1 1 A 65 65 ALA C C 62 180.353 179.456 0.897 1
1 532 . 18 1 1 A 65 65 ALA CA C 62 55.249 55.255 -0.006 1
1 533 . 18 1 1 A 65 65 ALA CB C 62 18.069 17.951 0.118 1
1 534 . 18 1 1 A 65 65 ALA N N 62 119.479 122.619 -3.140 1
1 535 . 18 1 1 A 66 66 GLU H H 63 7.685 8.431 -0.746 1
1 536 . 18 1 1 A 66 66 GLU HA H 63 4.041 4.061 -0.020 1
1 541 . 18 1 1 A 66 66 GLU C C 63 179.701 179.070 0.631 1
1 542 . 18 1 1 A 66 66 GLU CA C 63 59.440 59.556 -0.116 1
1 543 . 18 1 1 A 66 66 GLU CB C 63 29.735 29.322 0.413 1
1 545 . 18 1 1 A 66 66 GLU N N 63 117.981 118.626 -0.645 1
1 546 . 18 1 1 A 67 67 VAL H H 64 7.795 8.233 -0.438 1
1 547 . 18 1 1 A 67 67 VAL HA H 64 3.826 4.390 -0.564 1
1 555 . 18 1 1 A 67 67 VAL C C 64 178.078 177.871 0.207 1
1 556 . 18 1 1 A 67 67 VAL CA C 64 66.262 65.793 0.469 1
1 557 . 18 1 1 A 67 67 VAL CB C 64 31.703 31.181 0.522 1
1 560 . 18 1 1 A 67 67 VAL N N 64 120.422 116.561 3.861 1
1 561 . 18 1 1 A 68 68 LEU H H 65 8.563 8.226 0.337 1
1 562 . 18 1 1 A 68 68 LEU HA H 65 3.897 3.962 -0.065 1
1 572 . 18 1 1 A 68 68 LEU C C 65 180.593 178.346 2.247 1
1 573 . 18 1 1 A 68 68 LEU CA C 65 58.495 58.644 -0.149 1
1 574 . 18 1 1 A 68 68 LEU CB C 65 41.633 41.296 0.337 1
1 578 . 18 1 1 A 68 68 LEU N N 65 119.314 124.900 -5.586 1
1 579 . 18 1 1 A 69 69 GLU H H 66 8.071 7.868 0.203 1
1 580 . 18 1 1 A 69 69 GLU HA H 66 3.947 4.621 -0.674 1
1 585 . 18 1 1 A 69 69 GLU C C 66 178.591 178.337 0.254 1
1 586 . 18 1 1 A 69 69 GLU CA C 66 59.727 59.125 0.602 1
1 587 . 18 1 1 A 69 69 GLU CB C 66 29.549 29.137 0.412 1
1 589 . 18 1 1 A 69 69 GLU N N 66 120.124 118.670 1.454 1
1 590 . 18 1 1 A 70 70 GLU H H 67 7.471 7.998 -0.527 1
1 591 . 18 1 1 A 70 70 GLU HA H 67 4.111 4.087 0.024 1
1 596 . 18 1 1 A 70 70 GLU C C 67 179.873 178.259 1.614 1
1 597 . 18 1 1 A 70 70 GLU CA C 67 59.439 59.104 0.335 1
1 598 . 18 1 1 A 70 70 GLU CB C 67 30.021 29.342 0.679 1
1 600 . 18 1 1 A 70 70 GLU N N 67 119.545 117.733 1.812 1
1 601 . 18 1 1 A 71 71 VAL H H 68 8.790 7.406 1.384 1
1 602 . 18 1 1 A 71 71 VAL HA H 68 4.137 3.823 0.314 1
1 610 . 18 1 1 A 71 71 VAL C C 68 178.818 177.700 1.118 1
1 611 . 18 1 1 A 71 71 VAL CA C 68 64.321 65.540 -1.219 1
1 612 . 18 1 1 A 71 71 VAL CB C 68 31.230 31.436 -0.206 1
1 615 . 18 1 1 A 71 71 VAL N N 68 111.497 116.578 -5.081 1
1 616 . 18 1 1 A 72 72 THR H H 69 8.231 8.074 0.157 1
1 617 . 18 1 1 A 72 72 THR HA H 69 4.161 4.361 -0.200 1
1 622 . 18 1 1 A 72 72 THR C C 69 177.502 176.975 0.527 1
1 623 . 18 1 1 A 72 72 THR CA C 69 66.179 64.934 1.245 1
1 624 . 18 1 1 A 72 72 THR CB C 69 68.770 68.526 0.244 1
1 626 . 18 1 1 A 72 72 THR N N 69 118.078 114.127 3.951 1
1 627 . 18 1 1 A 73 73 ALA H H 70 7.177 8.444 -1.267 1
1 628 . 18 1 1 A 73 73 ALA HA H 70 4.139 4.212 -0.073 1
1 632 . 18 1 1 A 73 73 ALA C C 70 179.116 178.852 0.264 1
1 633 . 18 1 1 A 73 73 ALA CA C 70 54.690 54.398 0.292 1
1 634 . 18 1 1 A 73 73 ALA CB C 70 18.039 18.432 -0.393 1
1 635 . 18 1 1 A 73 73 ALA N N 70 123.757 123.501 0.256 1
1 636 . 18 1 1 A 74 74 ILE H H 71 6.874 7.572 -0.698 1
1 637 . 18 1 1 A 74 74 ILE HA H 71 3.988 4.147 -0.159 1
1 647 . 18 1 1 A 74 74 ILE C C 71 176.201 176.127 0.074 1
1 648 . 18 1 1 A 74 74 ILE CA C 71 61.927 61.815 0.112 1
1 649 . 18 1 1 A 74 74 ILE CB C 71 38.431 38.709 -0.278 1
1 653 . 18 1 1 A 74 74 ILE N N 71 113.131 115.462 -2.331 1
1 654 . 18 1 1 A 75 75 GLY H H 72 7.476 7.871 -0.395 1
1 655 . 18 1 1 A 75 75 GLY HA2 H 72 3.663 3.860 -0.197 1
1 656 . 18 1 1 A 75 75 GLY HA3 H 72 4.166 3.927 0.239 1
1 657 . 18 1 1 A 75 75 GLY C C 72 174.832 174.086 0.746 1
1 658 . 18 1 1 A 75 75 GLY CA C 72 45.144 44.948 0.196 1
1 659 . 18 1 1 A 75 75 GLY N N 72 106.405 108.305 -1.900 1
1 660 . 18 1 1 A 76 76 TYR H H 73 7.340 7.748 -0.408 1
1 661 . 18 1 1 A 76 76 TYR HA H 73 5.184 4.647 0.537 1
1 668 . 18 1 1 A 76 76 TYR C C 73 173.889 174.239 -0.350 1
1 669 . 18 1 1 A 76 76 TYR CA C 73 52.922 56.377 -3.455 1
1 670 . 18 1 1 A 76 76 TYR CB C 73 36.723 38.956 -2.233 1
1 675 . 18 1 1 A 76 76 TYR N N 73 122.416 120.149 2.267 1
1 676 . 18 1 1 A 77 77 PRO HA H 74 4.394 4.516 -0.122 1
1 683 . 18 1 1 A 77 77 PRO C C 74 175.722 176.284 -0.562 1
1 684 . 18 1 1 A 77 77 PRO CA C 74 63.242 63.221 0.021 1
1 685 . 18 1 1 A 77 77 PRO CB C 74 32.460 32.078 0.382 1
1 688 . 18 1 1 A 78 78 ALA H H 75 7.778 8.396 -0.618 1
1 689 . 18 1 1 A 78 78 ALA HA H 75 5.239 5.081 0.158 1
1 693 . 18 1 1 A 78 78 ALA C C 75 176.207 175.749 0.458 1
1 694 . 18 1 1 A 78 78 ALA CA C 75 51.422 50.943 0.479 1
1 695 . 18 1 1 A 78 78 ALA CB C 75 25.258 23.959 1.299 1
1 696 . 18 1 1 A 78 78 ALA N N 75 122.638 123.367 -0.729 1
1 697 . 18 1 1 A 79 79 LYS H H 76 9.213 9.093 0.120 1
1 698 . 18 1 1 A 79 79 LYS HA H 76 4.632 5.086 -0.454 1
1 707 . 18 1 1 A 79 79 LYS C C 76 173.669 175.045 -1.376 1
1 708 . 18 1 1 A 79 79 LYS CA C 76 55.912 55.079 0.833 1
1 709 . 18 1 1 A 79 79 LYS CB C 76 36.309 35.384 0.925 1
1 713 . 18 1 1 A 79 79 LYS N N 76 115.751 115.822 -0.071 1
1 714 . 18 1 1 A 80 80 CYS H H 77 8.602 9.045 -0.443 1
1 715 . 18 1 1 A 80 80 CYS HA H 77 5.535 6.018 -0.483 1
1 718 . 18 1 1 A 80 80 CYS C C 77 174.029 172.692 1.337 1
1 719 . 18 1 1 A 80 80 CYS CA C 77 56.029 54.861 1.168 1
1 720 . 18 1 1 A 80 80 CYS CB C 77 47.796 43.268 4.528 1
1 721 . 18 1 1 A 80 80 CYS N N 77 119.633 120.577 -0.944 1
1 722 . 18 1 1 A 81 81 CYS H H 78 9.428 9.069 0.359 1
1 723 . 18 1 1 A 81 81 CYS HA H 78 5.391 5.623 -0.232 1
1 726 . 18 1 1 A 81 81 CYS C C 78 173.980 171.978 2.002 1
1 727 . 18 1 1 A 81 81 CYS CA C 78 54.237 53.744 0.493 1
1 728 . 18 1 1 A 81 81 CYS CB C 78 47.557 45.934 1.623 1
1 729 . 18 1 1 A 81 81 CYS N N 78 120.091 123.252 -3.161 1
1 730 . 18 1 1 A 82 82 CYS H H 79 9.291 8.898 0.393 1
1 731 . 18 1 1 A 82 82 CYS HA H 79 5.134 5.046 0.088 1
1 734 . 18 1 1 A 82 82 CYS C C 79 172.349 173.630 -1.281 1
1 735 . 18 1 1 A 82 82 CYS CA C 79 56.628 57.356 -0.728 1
1 736 . 18 1 1 A 82 82 CYS CB C 79 46.122 28.056 18.066 1
1 737 . 18 1 1 A 82 82 CYS N N 79 117.137 122.022 -4.885 1
1 738 . 18 1 1 A 83 83 GLU H H 80 7.283 8.660 -1.377 1
1 739 . 18 1 1 A 83 83 GLU HA H 80 4.625 4.655 -0.030 1
1 744 . 18 1 1 A 83 83 GLU C C 80 174.435 175.141 -0.706 1
1 745 . 18 1 1 A 83 83 GLU CA C 80 54.873 55.562 -0.689 1
1 746 . 18 1 1 A 83 83 GLU CB C 80 33.106 34.019 -0.913 1
1 748 . 18 1 1 A 83 83 GLU N N 80 120.821 125.918 -5.097 1
1 749 . 18 1 1 A 84 84 ASP H H 81 8.433 8.714 -0.281 1
1 750 . 18 1 1 A 84 84 ASP HA H 81 4.956 4.363 0.593 1
1 753 . 18 1 1 A 84 84 ASP C C 81 178.149 176.793 1.356 1
1 754 . 18 1 1 A 84 84 ASP CA C 81 55.409 55.261 0.148 1
1 755 . 18 1 1 A 84 84 ASP CB C 81 40.817 40.758 0.059 1
1 756 . 18 1 1 A 84 84 ASP N N 81 121.789 121.899 -0.110 1
1 757 . 18 1 1 A 85 85 LEU H H 82 9.244 8.673 0.571 1
1 758 . 18 1 1 A 85 85 LEU HA H 82 3.308 4.042 -0.734 1
1 765 . 18 1 1 A 85 85 LEU C C 82 176.858 176.835 0.023 1
1 766 . 18 1 1 A 85 85 LEU CA C 82 56.047 56.737 -0.690 1
1 767 . 18 1 1 A 85 85 LEU CB C 82 36.885 40.168 -3.283 1
1 770 . 18 1 1 A 85 85 LEU N N 82 114.422 117.798 -3.376 1
1 771 . 18 1 1 A 86 86 CYS H H 83 8.005 7.806 0.199 1
1 772 . 18 1 1 A 86 86 CYS HA H 83 4.547 4.425 0.122 1
1 775 . 18 1 1 A 86 86 CYS C C 83 174.632 175.300 -0.668 1
1 776 . 18 1 1 A 86 86 CYS CA C 83 57.206 58.919 -1.713 1
1 777 . 18 1 1 A 86 86 CYS CB C 83 47.155 41.889 5.266 1
1 778 . 18 1 1 A 86 86 CYS N N 83 112.558 117.405 -4.847 1
1 779 . 18 1 1 A 87 87 ASN H H 84 8.859 8.319 0.540 1
1 780 . 18 1 1 A 87 87 ASN HA H 84 4.526 4.706 -0.180 1
1 783 . 18 1 1 A 87 87 ASN C C 84 172.146 175.261 -3.115 1
1 784 . 18 1 1 A 87 87 ASN CA C 84 52.617 52.532 0.085 1
1 785 . 18 1 1 A 87 87 ASN CB C 84 36.673 37.396 -0.723 1
1 786 . 18 1 1 A 87 87 ASN N N 84 119.985 115.141 4.844 1
1 787 . 18 1 1 A 88 88 ARG H H 85 7.353 7.140 0.213 1
1 788 . 18 1 1 A 88 88 ARG HA H 85 3.734 3.800 -0.066 1
1 795 . 18 1 1 A 88 88 ARG C C 85 173.901 175.617 -1.716 1
1 796 . 18 1 1 A 88 88 ARG CA C 85 55.058 56.345 -1.287 1
1 797 . 18 1 1 A 88 88 ARG CB C 85 31.857 30.292 1.565 1
1 800 . 18 1 1 A 88 88 ARG N N 85 118.446 122.267 -3.821 1
1 801 . 18 1 1 A 89 89 SER H H 86 7.987 8.554 -0.567 1
1 802 . 18 1 1 A 89 89 SER HA H 86 3.689 3.745 -0.056 1
1 805 . 18 1 1 A 89 89 SER C C 86 174.342 174.988 -0.646 1
1 806 . 18 1 1 A 89 89 SER CA C 86 57.844 59.039 -1.195 1
1 807 . 18 1 1 A 89 89 SER CB C 86 63.504 62.977 0.527 1
1 808 . 18 1 1 A 89 89 SER N N 86 115.514 121.575 -6.061 1
1 809 . 18 1 1 A 90 90 GLU H H 87 8.461 8.490 -0.029 1
1 810 . 18 1 1 A 90 90 GLU HA H 87 4.125 4.307 -0.182 1
1 815 . 18 1 1 A 90 90 GLU C C 87 175.632 176.690 -1.058 1
1 816 . 18 1 1 A 90 90 GLU CA C 87 56.799 57.179 -0.380 1
1 817 . 18 1 1 A 90 90 GLU CB C 87 30.049 30.519 -0.470 1
1 819 . 18 1 1 A 90 90 GLU N N 87 122.917 124.221 -1.304 1
1 16 . 19 1 1 A 22 22 ALA H H 19 8.052 8.716 -0.664 1
1 17 . 19 1 1 A 22 22 ALA HA H 19 4.191 4.376 -0.185 1
1 21 . 19 1 1 A 22 22 ALA C C 19 176.151 176.224 -0.073 1
1 22 . 19 1 1 A 22 22 ALA CA C 19 51.960 52.636 -0.676 1
1 23 . 19 1 1 A 22 22 ALA CB C 19 19.784 17.743 2.041 1
1 24 . 19 1 1 A 22 22 ALA N N 19 125.891 118.829 7.062 1
1 25 . 19 1 1 A 23 23 LEU H H 20 8.117 8.205 -0.088 1
1 26 . 19 1 1 A 23 23 LEU HA H 20 4.273 4.688 -0.415 1
1 36 . 19 1 1 A 23 23 LEU C C 20 174.307 174.865 -0.558 1
1 37 . 19 1 1 A 23 23 LEU CA C 20 54.838 54.435 0.403 1
1 38 . 19 1 1 A 23 23 LEU CB C 20 44.574 43.568 1.006 1
1 42 . 19 1 1 A 23 23 LEU N N 20 125.488 121.554 3.934 1
1 43 . 19 1 1 A 24 24 LYS H H 21 7.915 8.810 -0.895 1
1 44 . 19 1 1 A 24 24 LYS HA H 21 5.287 5.135 0.152 1
1 53 . 19 1 1 A 24 24 LYS C C 21 175.901 175.583 0.318 1
1 54 . 19 1 1 A 24 24 LYS CA C 21 54.174 54.952 -0.778 1
1 55 . 19 1 1 A 24 24 LYS CB C 21 34.841 33.111 1.730 1
1 59 . 19 1 1 A 24 24 LYS N N 21 122.369 124.414 -2.045 1
1 60 . 19 1 1 A 25 25 CYS H H 22 8.426 8.173 0.253 1
1 61 . 19 1 1 A 25 25 CYS HA H 22 4.886 5.082 -0.196 1
1 64 . 19 1 1 A 25 25 CYS C C 22 175.309 173.682 1.627 1
1 65 . 19 1 1 A 25 25 CYS CA C 22 51.680 55.310 -3.630 1
1 66 . 19 1 1 A 25 25 CYS CB C 22 41.829 44.414 -2.585 1
1 67 . 19 1 1 A 25 25 CYS N N 22 117.505 122.652 -5.147 1
1 68 . 19 1 1 A 26 26 PHE H H 23 8.960 9.109 -0.149 1
1 69 . 19 1 1 A 26 26 PHE HA H 23 5.057 4.886 0.171 1
1 74 . 19 1 1 A 26 26 PHE C C 23 176.694 175.987 0.707 1
1 75 . 19 1 1 A 26 26 PHE CA C 23 60.302 57.842 2.460 1
1 76 . 19 1 1 A 26 26 PHE CB C 23 39.490 40.392 -0.902 1
1 79 . 19 1 1 A 26 26 PHE N N 23 120.038 121.573 -1.535 1
1 80 . 19 1 1 A 27 27 THR H H 24 9.071 9.269 -0.198 1
1 81 . 19 1 1 A 27 27 THR HA H 24 4.960 5.226 -0.266 1
1 86 . 19 1 1 A 27 27 THR C C 24 173.722 173.045 0.677 1
1 87 . 19 1 1 A 27 27 THR CA C 24 59.835 61.153 -1.318 1
1 88 . 19 1 1 A 27 27 THR CB C 24 71.382 71.779 -0.397 1
1 90 . 19 1 1 A 27 27 THR N N 24 114.266 115.779 -1.513 1
1 91 . 19 1 1 A 28 28 ARG H H 25 8.398 8.464 -0.066 1
1 92 . 19 1 1 A 28 28 ARG HA H 25 5.158 5.091 0.067 1
1 99 . 19 1 1 A 28 28 ARG C C 25 175.547 174.826 0.721 1
1 100 . 19 1 1 A 28 28 ARG CA C 25 54.586 55.830 -1.244 1
1 101 . 19 1 1 A 28 28 ARG CB C 25 32.443 31.070 1.373 1
1 104 . 19 1 1 A 28 28 ARG N N 25 123.189 126.999 -3.810 1
1 105 . 19 1 1 A 29 29 ASN H H 26 8.589 8.902 -0.313 1
1 106 . 19 1 1 A 29 29 ASN HA H 26 4.938 4.923 0.015 1
1 109 . 19 1 1 A 29 29 ASN C C 26 175.273 175.450 -0.177 1
1 110 . 19 1 1 A 29 29 ASN CA C 26 52.276 52.633 -0.357 1
1 111 . 19 1 1 A 29 29 ASN CB C 26 39.660 38.503 1.157 1
1 112 . 19 1 1 A 29 29 ASN N N 26 125.242 124.004 1.238 1
1 113 . 19 1 1 A 30 30 GLY H H 27 9.046 8.590 0.456 1
1 114 . 19 1 1 A 30 30 GLY HA2 H 27 3.649 3.859 -0.210 1
1 115 . 19 1 1 A 30 30 GLY HA3 H 27 3.996 3.862 0.134 1
1 116 . 19 1 1 A 30 30 GLY C C 27 174.707 174.435 0.272 1
1 117 . 19 1 1 A 30 30 GLY CA C 27 46.906 47.337 -0.431 1
1 118 . 19 1 1 A 30 30 GLY N N 27 115.613 115.254 0.359 1
1 119 . 19 1 1 A 31 31 ASP H H 28 8.956 8.727 0.229 1
1 120 . 19 1 1 A 31 31 ASP HA H 28 4.648 4.694 -0.046 1
1 123 . 19 1 1 A 31 31 ASP C C 28 175.670 175.367 0.303 1
1 124 . 19 1 1 A 31 31 ASP CA C 28 54.939 53.871 1.068 1
1 125 . 19 1 1 A 31 31 ASP CB C 28 41.505 41.549 -0.044 1
1 126 . 19 1 1 A 31 31 ASP N N 28 126.791 126.326 0.465 1
1 127 . 19 1 1 A 32 32 ASP H H 29 7.973 7.642 0.331 1
1 128 . 19 1 1 A 32 32 ASP HA H 29 4.778 4.509 0.269 1
1 131 . 19 1 1 A 32 32 ASP C C 29 174.871 175.694 -0.823 1
1 132 . 19 1 1 A 32 32 ASP CA C 29 54.192 54.262 -0.070 1
1 133 . 19 1 1 A 32 32 ASP CB C 29 42.663 41.404 1.259 1
1 134 . 19 1 1 A 32 32 ASP N N 29 120.240 122.097 -1.857 1
1 135 . 19 1 1 A 33 33 ARG H H 30 8.682 8.662 0.020 1
1 136 . 19 1 1 A 33 33 ARG HA H 30 5.020 5.072 -0.052 1
1 143 . 19 1 1 A 33 33 ARG C C 30 175.569 175.190 0.379 1
1 144 . 19 1 1 A 33 33 ARG CA C 30 55.487 54.778 0.709 1
1 145 . 19 1 1 A 33 33 ARG CB C 30 31.962 32.130 -0.168 1
1 148 . 19 1 1 A 33 33 ARG N N 30 125.183 124.317 0.866 1
1 149 . 19 1 1 A 34 34 THR H H 31 8.976 9.248 -0.272 1
1 150 . 19 1 1 A 34 34 THR HA H 31 4.764 4.947 -0.183 1
1 155 . 19 1 1 A 34 34 THR C C 31 172.745 173.734 -0.989 1
1 156 . 19 1 1 A 34 34 THR CA C 31 59.891 61.951 -2.060 1
1 157 . 19 1 1 A 34 34 THR CB C 31 71.522 70.971 0.551 1
1 159 . 19 1 1 A 34 34 THR N N 31 120.162 120.177 -0.015 1
1 160 . 19 1 1 A 35 35 VAL H H 32 8.286 8.880 -0.594 1
1 161 . 19 1 1 A 35 35 VAL HA H 32 4.110 4.593 -0.483 1
1 169 . 19 1 1 A 35 35 VAL C C 32 175.720 176.186 -0.466 1
1 170 . 19 1 1 A 35 35 VAL CA C 32 62.838 62.247 0.591 1
1 171 . 19 1 1 A 35 35 VAL CB C 32 32.883 31.425 1.458 1
1 174 . 19 1 1 A 35 35 VAL N N 32 122.209 127.691 -5.482 1
1 175 . 19 1 1 A 36 36 THR H H 33 8.749 8.527 0.222 1
1 176 . 19 1 1 A 36 36 THR HA H 33 4.486 4.916 -0.430 1
1 181 . 19 1 1 A 36 36 THR C C 33 173.029 173.742 -0.713 1
1 182 . 19 1 1 A 36 36 THR CA C 33 61.029 60.403 0.626 1
1 183 . 19 1 1 A 36 36 THR CB C 33 71.425 70.245 1.180 1
1 185 . 19 1 1 A 36 36 THR N N 33 125.259 118.742 6.517 1
1 186 . 19 1 1 A 37 37 THR H H 34 8.544 8.688 -0.144 1
1 187 . 19 1 1 A 37 37 THR HA H 34 4.371 4.515 -0.144 1
1 192 . 19 1 1 A 37 37 THR C C 34 173.839 172.853 0.986 1
1 193 . 19 1 1 A 37 37 THR CA C 34 62.892 60.950 1.942 1
1 194 . 19 1 1 A 37 37 THR CB C 34 68.156 69.133 -0.977 1
1 196 . 19 1 1 A 37 37 THR N N 34 122.774 118.419 4.355 1
1 197 . 19 1 1 A 38 38 CYS H H 35 9.227 9.536 -0.309 1
1 198 . 19 1 1 A 38 38 CYS HA H 35 4.516 5.171 -0.655 1
1 201 . 19 1 1 A 38 38 CYS C C 35 174.923 173.714 1.209 1
1 202 . 19 1 1 A 38 38 CYS CA C 35 52.962 54.511 -1.549 1
1 203 . 19 1 1 A 38 38 CYS CB C 35 37.439 43.557 -6.118 1
1 204 . 19 1 1 A 38 38 CYS N N 35 129.056 127.257 1.799 1
1 205 . 19 1 1 A 39 39 ALA H H 36 8.113 8.878 -0.765 1
1 206 . 19 1 1 A 39 39 ALA HA H 36 4.313 4.491 -0.178 1
1 210 . 19 1 1 A 39 39 ALA C C 36 178.809 178.423 0.386 1
1 211 . 19 1 1 A 39 39 ALA CA C 36 52.125 51.801 0.324 1
1 212 . 19 1 1 A 39 39 ALA CB C 36 19.235 20.112 -0.877 1
1 213 . 19 1 1 A 39 39 ALA N N 36 122.621 126.650 -4.029 1
1 214 . 19 1 1 A 40 40 GLU H H 37 8.701 8.957 -0.256 1
1 215 . 19 1 1 A 40 40 GLU HA H 37 3.826 3.931 -0.105 1
1 220 . 19 1 1 A 40 40 GLU C C 37 177.999 178.564 -0.565 1
1 221 . 19 1 1 A 40 40 GLU CA C 37 60.104 59.718 0.386 1
1 222 . 19 1 1 A 40 40 GLU CB C 37 29.712 29.263 0.449 1
1 224 . 19 1 1 A 40 40 GLU N N 37 120.905 118.757 2.148 1
1 225 . 19 1 1 A 41 41 GLU H H 38 8.870 8.838 0.032 1
1 226 . 19 1 1 A 41 41 GLU HA H 38 4.233 4.116 0.117 1
1 231 . 19 1 1 A 41 41 GLU C C 38 176.790 177.225 -0.435 1
1 232 . 19 1 1 A 41 41 GLU CA C 38 57.438 59.438 -2.000 1
1 233 . 19 1 1 A 41 41 GLU CB C 38 28.813 29.007 -0.194 1
1 235 . 19 1 1 A 41 41 GLU N N 38 113.838 118.186 -4.348 1
1 236 . 19 1 1 A 42 42 GLN H H 39 7.935 7.802 0.133 1
1 237 . 19 1 1 A 42 42 GLN HA H 39 4.069 4.564 -0.495 1
1 242 . 19 1 1 A 42 42 GLN C C 39 174.033 176.177 -2.144 1
1 243 . 19 1 1 A 42 42 GLN CA C 39 55.177 54.199 0.978 1
1 244 . 19 1 1 A 42 42 GLN CB C 39 28.144 27.049 1.095 1
1 246 . 19 1 1 A 42 42 GLN N N 39 120.919 118.366 2.553 1
1 247 . 19 1 1 A 43 43 THR H H 40 6.846 8.012 -1.166 1
1 248 . 19 1 1 A 43 43 THR HA H 40 4.340 4.452 -0.112 1
1 253 . 19 1 1 A 43 43 THR C C 40 175.221 173.269 1.952 1
1 254 . 19 1 1 A 43 43 THR CA C 40 60.677 62.123 -1.446 1
1 255 . 19 1 1 A 43 43 THR CB C 40 68.516 69.099 -0.583 1
1 257 . 19 1 1 A 43 43 THR N N 40 109.859 113.573 -3.714 1
1 258 . 19 1 1 A 44 44 ARG H H 41 8.496 7.378 1.118 1
1 259 . 19 1 1 A 44 44 ARG HA H 41 5.001 4.753 0.248 1
1 266 . 19 1 1 A 44 44 ARG C C 41 174.082 174.365 -0.283 1
1 267 . 19 1 1 A 44 44 ARG CA C 41 52.838 54.024 -1.186 1
1 268 . 19 1 1 A 44 44 ARG CB C 41 34.466 33.510 0.956 1
1 271 . 19 1 1 A 44 44 ARG N N 41 122.000 122.064 -0.064 1
1 272 . 19 1 1 A 45 45 CYS H H 42 8.814 9.029 -0.215 1
1 273 . 19 1 1 A 45 45 CYS HA H 42 5.566 5.310 0.256 1
1 276 . 19 1 1 A 45 45 CYS C C 42 173.806 171.625 2.181 1
1 277 . 19 1 1 A 45 45 CYS CA C 42 51.956 54.975 -3.019 1
1 278 . 19 1 1 A 45 45 CYS CB C 42 38.526 45.833 -7.307 1
1 279 . 19 1 1 A 45 45 CYS N N 42 115.378 119.854 -4.476 1
1 280 . 19 1 1 A 46 46 LEU H H 43 9.234 9.499 -0.265 1
1 281 . 19 1 1 A 46 46 LEU HA H 43 5.382 4.999 0.383 1
1 291 . 19 1 1 A 46 46 LEU C C 43 176.639 175.483 1.156 1
1 292 . 19 1 1 A 46 46 LEU CA C 43 53.739 53.815 -0.076 1
1 293 . 19 1 1 A 46 46 LEU CB C 43 46.024 43.925 2.099 1
1 297 . 19 1 1 A 46 46 LEU N N 43 122.940 128.205 -5.265 1
1 298 . 19 1 1 A 47 47 PHE H H 44 9.048 8.892 0.156 1
1 299 . 19 1 1 A 47 47 PHE HA H 44 5.700 5.932 -0.232 1
1 306 . 19 1 1 A 47 47 PHE C C 44 173.708 173.504 0.204 1
1 307 . 19 1 1 A 47 47 PHE CA C 44 56.494 57.065 -0.571 1
1 308 . 19 1 1 A 47 47 PHE CB C 44 44.246 42.259 1.987 1
1 313 . 19 1 1 A 47 47 PHE N N 44 128.522 127.292 1.230 1
1 314 . 19 1 1 A 48 48 VAL H H 45 8.086 8.349 -0.263 1
1 315 . 19 1 1 A 48 48 VAL HA H 45 4.234 4.709 -0.475 1
1 323 . 19 1 1 A 48 48 VAL C C 45 173.728 174.634 -0.906 1
1 324 . 19 1 1 A 48 48 VAL CA C 45 61.110 59.860 1.250 1
1 325 . 19 1 1 A 48 48 VAL CB C 45 36.121 35.013 1.108 1
1 328 . 19 1 1 A 48 48 VAL N N 45 124.455 126.778 -2.323 1
1 329 . 19 1 1 A 49 49 GLN H H 46 8.391 8.877 -0.486 1
1 330 . 19 1 1 A 49 49 GLN HA H 46 4.155 4.392 -0.237 1
1 335 . 19 1 1 A 49 49 GLN C C 46 174.214 175.726 -1.512 1
1 336 . 19 1 1 A 49 49 GLN CA C 46 54.491 56.461 -1.970 1
1 337 . 19 1 1 A 49 49 GLN CB C 46 29.986 29.419 0.567 1
1 339 . 19 1 1 A 49 49 GLN N N 46 126.537 126.248 0.289 1
1 340 . 19 1 1 A 50 50 LEU H H 47 7.646 7.876 -0.230 1
1 341 . 19 1 1 A 50 50 LEU HA H 47 3.856 4.856 -1.000 1
1 351 . 19 1 1 A 50 50 LEU C C 47 175.649 176.724 -1.075 1
1 352 . 19 1 1 A 50 50 LEU CA C 47 53.706 51.577 2.129 1
1 353 . 19 1 1 A 50 50 LEU CB C 47 39.821 45.362 -5.541 1
1 357 . 19 1 1 A 50 50 LEU N N 47 127.637 124.202 3.435 1
1 358 . 19 1 1 A 51 51 PRO HA H 48 3.921 4.336 -0.415 1
1 365 . 19 1 1 A 51 51 PRO C C 48 177.492 175.543 1.949 1
1 366 . 19 1 1 A 51 51 PRO CA C 48 65.923 63.758 2.165 1
1 367 . 19 1 1 A 51 51 PRO CB C 48 31.509 31.666 -0.157 1
1 370 . 19 1 1 A 52 52 TYR H H 49 7.517 7.927 -0.410 1
1 371 . 19 1 1 A 52 52 TYR HA H 49 4.790 4.686 0.104 1
1 378 . 19 1 1 A 52 52 TYR C C 49 175.214 175.856 -0.642 1
1 379 . 19 1 1 A 52 52 TYR CA C 49 55.767 59.105 -3.338 1
1 380 . 19 1 1 A 52 52 TYR CB C 49 39.277 40.539 -1.262 1
1 385 . 19 1 1 A 52 52 TYR N N 49 109.643 117.282 -7.639 1
1 386 . 19 1 1 A 53 53 SER H H 50 6.986 8.371 -1.385 1
1 387 . 19 1 1 A 53 53 SER HA H 50 4.409 4.788 -0.379 1
1 390 . 19 1 1 A 53 53 SER C C 50 171.925 172.613 -0.688 1
1 391 . 19 1 1 A 53 53 SER CA C 50 57.189 56.926 0.263 1
1 392 . 19 1 1 A 53 53 SER CB C 50 63.786 65.630 -1.844 1
1 393 . 19 1 1 A 53 53 SER N N 50 112.994 111.020 1.974 1
1 394 . 19 1 1 A 54 54 GLU H H 51 7.890 8.926 -1.036 1
1 395 . 19 1 1 A 54 54 GLU HA H 51 4.903 4.913 -0.010 1
1 400 . 19 1 1 A 54 54 GLU C C 51 175.536 174.454 1.082 1
1 401 . 19 1 1 A 54 54 GLU CA C 51 54.722 54.616 0.106 1
1 402 . 19 1 1 A 54 54 GLU CB C 51 33.225 33.435 -0.210 1
1 404 . 19 1 1 A 54 54 GLU N N 51 115.330 115.320 0.010 1
1 405 . 19 1 1 A 55 55 ILE H H 52 8.600 8.394 0.206 1
1 406 . 19 1 1 A 55 55 ILE HA H 52 4.302 4.667 -0.365 1
1 416 . 19 1 1 A 55 55 ILE C C 52 175.783 174.997 0.786 1
1 417 . 19 1 1 A 55 55 ILE CA C 52 60.360 59.662 0.698 1
1 418 . 19 1 1 A 55 55 ILE CB C 52 39.228 38.794 0.434 1
1 422 . 19 1 1 A 55 55 ILE N N 52 122.129 122.800 -0.671 1
1 423 . 19 1 1 A 56 56 GLN H H 53 8.573 8.667 -0.094 1
1 424 . 19 1 1 A 56 56 GLN HA H 53 5.394 5.589 -0.195 1
1 429 . 19 1 1 A 56 56 GLN C C 53 174.379 174.608 -0.229 1
1 430 . 19 1 1 A 56 56 GLN CA C 53 54.790 54.581 0.209 1
1 431 . 19 1 1 A 56 56 GLN CB C 53 33.315 32.189 1.126 1
1 433 . 19 1 1 A 56 56 GLN N N 53 126.768 125.792 0.976 1
1 434 . 19 1 1 A 57 57 GLU H H 54 7.782 8.705 -0.923 1
1 435 . 19 1 1 A 57 57 GLU HA H 54 4.967 4.984 -0.017 1
1 440 . 19 1 1 A 57 57 GLU C C 54 176.345 174.705 1.640 1
1 441 . 19 1 1 A 57 57 GLU CA C 54 55.405 55.223 0.182 1
1 442 . 19 1 1 A 57 57 GLU CB C 54 36.080 32.419 3.661 1
1 444 . 19 1 1 A 57 57 GLU N N 54 117.990 120.542 -2.552 1
1 445 . 19 1 1 A 58 58 CYS H H 55 8.780 8.417 0.363 1
1 446 . 19 1 1 A 58 58 CYS HA H 55 5.145 5.212 -0.067 1
1 449 . 19 1 1 A 58 58 CYS C C 55 175.293 173.284 2.009 1
1 450 . 19 1 1 A 58 58 CYS CA C 55 57.749 55.135 2.614 1
1 451 . 19 1 1 A 58 58 CYS CB C 55 45.523 43.672 1.851 1
1 452 . 19 1 1 A 58 58 CYS N N 55 119.662 119.696 -0.034 1
1 453 . 19 1 1 A 59 59 LYS H H 56 9.277 8.542 0.735 1
1 454 . 19 1 1 A 59 59 LYS HA H 56 4.896 5.020 -0.124 1
1 463 . 19 1 1 A 59 59 LYS C C 56 176.049 174.990 1.059 1
1 464 . 19 1 1 A 59 59 LYS CA C 56 53.903 55.150 -1.247 1
1 465 . 19 1 1 A 59 59 LYS CB C 56 40.637 36.652 3.985 1
1 469 . 19 1 1 A 59 59 LYS N N 56 120.535 124.567 -4.032 1
1 470 . 19 1 1 A 60 60 THR H H 57 7.997 8.764 -0.767 1
1 471 . 19 1 1 A 60 60 THR HA H 57 4.876 4.538 0.338 1
1 476 . 19 1 1 A 60 60 THR C C 57 175.637 176.189 -0.552 1
1 477 . 19 1 1 A 60 60 THR CA C 57 61.017 61.755 -0.738 1
1 478 . 19 1 1 A 60 60 THR CB C 57 70.774 70.050 0.724 1
1 480 . 19 1 1 A 60 60 THR N N 57 108.910 115.293 -6.383 1
1 481 . 19 1 1 A 61 61 VAL H H 58 8.689 8.746 -0.057 1
1 482 . 19 1 1 A 61 61 VAL HA H 58 3.477 3.639 -0.162 1
1 490 . 19 1 1 A 61 61 VAL C C 58 178.541 177.631 0.910 1
1 491 . 19 1 1 A 61 61 VAL CA C 58 67.024 66.687 0.337 1
1 492 . 19 1 1 A 61 61 VAL CB C 58 31.751 31.465 0.286 1
1 495 . 19 1 1 A 61 61 VAL N N 58 121.313 122.921 -1.608 1
1 496 . 19 1 1 A 62 62 GLN H H 59 8.564 7.978 0.586 1
1 497 . 19 1 1 A 62 62 GLN HA H 59 4.062 4.017 0.045 1
1 502 . 19 1 1 A 62 62 GLN C C 59 178.871 178.891 -0.020 1
1 503 . 19 1 1 A 62 62 GLN CA C 59 58.993 59.040 -0.047 1
1 504 . 19 1 1 A 62 62 GLN CB C 59 28.085 28.393 -0.308 1
1 506 . 19 1 1 A 62 62 GLN N N 59 119.395 119.217 0.178 1
1 507 . 19 1 1 A 63 63 GLN H H 60 7.644 7.857 -0.213 1
1 508 . 19 1 1 A 63 63 GLN HA H 60 4.082 4.032 0.050 1
1 513 . 19 1 1 A 63 63 GLN C C 60 179.023 178.587 0.436 1
1 514 . 19 1 1 A 63 63 GLN CA C 60 58.106 58.633 -0.527 1
1 515 . 19 1 1 A 63 63 GLN CB C 60 29.283 27.991 1.292 1
1 517 . 19 1 1 A 63 63 GLN N N 60 116.638 117.518 -0.880 1
1 518 . 19 1 1 A 64 64 CYS H H 61 8.543 8.407 0.136 1
1 519 . 19 1 1 A 64 64 CYS HA H 61 3.951 4.373 -0.422 1
1 522 . 19 1 1 A 64 64 CYS C C 61 176.171 176.207 -0.036 1
1 523 . 19 1 1 A 64 64 CYS CA C 61 64.735 59.047 5.688 1
1 524 . 19 1 1 A 64 64 CYS CB C 61 40.828 42.287 -1.459 1
1 525 . 19 1 1 A 64 64 CYS N N 61 118.614 118.473 0.141 1
1 526 . 19 1 1 A 65 65 ALA H H 62 7.791 7.798 -0.007 1
1 527 . 19 1 1 A 65 65 ALA HA H 62 4.021 4.012 0.009 1
1 531 . 19 1 1 A 65 65 ALA C C 62 180.353 179.647 0.706 1
1 532 . 19 1 1 A 65 65 ALA CA C 62 55.249 55.384 -0.135 1
1 533 . 19 1 1 A 65 65 ALA CB C 62 18.069 17.967 0.102 1
1 534 . 19 1 1 A 65 65 ALA N N 62 119.479 123.210 -3.731 1
1 535 . 19 1 1 A 66 66 GLU H H 63 7.685 8.035 -0.350 1
1 536 . 19 1 1 A 66 66 GLU HA H 63 4.041 4.018 0.023 1
1 541 . 19 1 1 A 66 66 GLU C C 63 179.701 179.035 0.666 1
1 542 . 19 1 1 A 66 66 GLU CA C 63 59.440 59.528 -0.088 1
1 543 . 19 1 1 A 66 66 GLU CB C 63 29.735 29.189 0.546 1
1 545 . 19 1 1 A 66 66 GLU N N 63 117.981 118.621 -0.640 1
1 546 . 19 1 1 A 67 67 VAL H H 64 7.795 8.213 -0.418 1
1 547 . 19 1 1 A 67 67 VAL HA H 64 3.826 4.505 -0.679 1
1 555 . 19 1 1 A 67 67 VAL C C 64 178.078 178.076 0.002 1
1 556 . 19 1 1 A 67 67 VAL CA C 64 66.262 65.808 0.454 1
1 557 . 19 1 1 A 67 67 VAL CB C 64 31.703 31.235 0.468 1
1 560 . 19 1 1 A 67 67 VAL N N 64 120.422 116.726 3.696 1
1 561 . 19 1 1 A 68 68 LEU H H 65 8.563 7.942 0.621 1
1 562 . 19 1 1 A 68 68 LEU HA H 65 3.897 4.009 -0.112 1
1 572 . 19 1 1 A 68 68 LEU C C 65 180.593 178.719 1.874 1
1 573 . 19 1 1 A 68 68 LEU CA C 65 58.495 58.772 -0.277 1
1 574 . 19 1 1 A 68 68 LEU CB C 65 41.633 41.647 -0.014 1
1 578 . 19 1 1 A 68 68 LEU N N 65 119.314 124.589 -5.275 1
1 579 . 19 1 1 A 69 69 GLU H H 66 8.071 8.044 0.027 1
1 580 . 19 1 1 A 69 69 GLU HA H 66 3.947 4.728 -0.781 1
1 585 . 19 1 1 A 69 69 GLU C C 66 178.591 179.469 -0.878 1
1 586 . 19 1 1 A 69 69 GLU CA C 66 59.727 59.451 0.276 1
1 587 . 19 1 1 A 69 69 GLU CB C 66 29.549 28.850 0.699 1
1 589 . 19 1 1 A 69 69 GLU N N 66 120.124 118.309 1.815 1
1 590 . 19 1 1 A 70 70 GLU H H 67 7.471 8.094 -0.623 1
1 591 . 19 1 1 A 70 70 GLU HA H 67 4.111 4.096 0.015 1
1 596 . 19 1 1 A 70 70 GLU C C 67 179.873 178.292 1.581 1
1 597 . 19 1 1 A 70 70 GLU CA C 67 59.439 59.294 0.145 1
1 598 . 19 1 1 A 70 70 GLU CB C 67 30.021 29.076 0.945 1
1 600 . 19 1 1 A 70 70 GLU N N 67 119.545 118.591 0.954 1
1 601 . 19 1 1 A 71 71 VAL H H 68 8.790 7.416 1.374 1
1 602 . 19 1 1 A 71 71 VAL HA H 68 4.137 3.854 0.283 1
1 610 . 19 1 1 A 71 71 VAL C C 68 178.818 177.724 1.094 1
1 611 . 19 1 1 A 71 71 VAL CA C 68 64.321 65.581 -1.260 1
1 612 . 19 1 1 A 71 71 VAL CB C 68 31.230 31.431 -0.201 1
1 615 . 19 1 1 A 71 71 VAL N N 68 111.497 116.594 -5.097 1
1 616 . 19 1 1 A 72 72 THR H H 69 8.231 8.192 0.039 1
1 617 . 19 1 1 A 72 72 THR HA H 69 4.161 4.364 -0.203 1
1 622 . 19 1 1 A 72 72 THR C C 69 177.502 176.982 0.520 1
1 623 . 19 1 1 A 72 72 THR CA C 69 66.179 65.215 0.964 1
1 624 . 19 1 1 A 72 72 THR CB C 69 68.770 68.564 0.206 1
1 626 . 19 1 1 A 72 72 THR N N 69 118.078 113.960 4.118 1
1 627 . 19 1 1 A 73 73 ALA H H 70 7.177 8.165 -0.988 1
1 628 . 19 1 1 A 73 73 ALA HA H 70 4.139 4.209 -0.070 1
1 632 . 19 1 1 A 73 73 ALA C C 70 179.116 179.396 -0.280 1
1 633 . 19 1 1 A 73 73 ALA CA C 70 54.690 54.496 0.194 1
1 634 . 19 1 1 A 73 73 ALA CB C 70 18.039 18.359 -0.320 1
1 635 . 19 1 1 A 73 73 ALA N N 70 123.757 123.479 0.278 1
1 636 . 19 1 1 A 74 74 ILE H H 71 6.874 7.572 -0.698 1
1 637 . 19 1 1 A 74 74 ILE HA H 71 3.988 4.163 -0.175 1
1 647 . 19 1 1 A 74 74 ILE C C 71 176.201 176.001 0.200 1
1 648 . 19 1 1 A 74 74 ILE CA C 71 61.927 62.038 -0.111 1
1 649 . 19 1 1 A 74 74 ILE CB C 71 38.431 38.825 -0.394 1
1 653 . 19 1 1 A 74 74 ILE N N 71 113.131 115.367 -2.236 1
1 654 . 19 1 1 A 75 75 GLY H H 72 7.476 7.890 -0.414 1
1 655 . 19 1 1 A 75 75 GLY HA2 H 72 3.663 3.939 -0.276 1
1 656 . 19 1 1 A 75 75 GLY HA3 H 72 4.166 4.015 0.151 1
1 657 . 19 1 1 A 75 75 GLY C C 72 174.832 173.959 0.873 1
1 658 . 19 1 1 A 75 75 GLY CA C 72 45.144 44.968 0.176 1
1 659 . 19 1 1 A 75 75 GLY N N 72 106.405 108.160 -1.755 1
1 660 . 19 1 1 A 76 76 TYR H H 73 7.340 8.167 -0.827 1
1 661 . 19 1 1 A 76 76 TYR HA H 73 5.184 4.613 0.571 1
1 668 . 19 1 1 A 76 76 TYR C C 73 173.889 174.327 -0.438 1
1 669 . 19 1 1 A 76 76 TYR CA C 73 52.922 56.213 -3.291 1
1 670 . 19 1 1 A 76 76 TYR CB C 73 36.723 38.681 -1.958 1
1 675 . 19 1 1 A 76 76 TYR N N 73 122.416 120.562 1.854 1
1 676 . 19 1 1 A 77 77 PRO HA H 74 4.394 4.570 -0.176 1
1 683 . 19 1 1 A 77 77 PRO C C 74 175.722 176.393 -0.671 1
1 684 . 19 1 1 A 77 77 PRO CA C 74 63.242 63.136 0.106 1
1 685 . 19 1 1 A 77 77 PRO CB C 74 32.460 32.193 0.267 1
1 688 . 19 1 1 A 78 78 ALA H H 75 7.778 8.409 -0.631 1
1 689 . 19 1 1 A 78 78 ALA HA H 75 5.239 5.217 0.022 1
1 693 . 19 1 1 A 78 78 ALA C C 75 176.207 175.864 0.343 1
1 694 . 19 1 1 A 78 78 ALA CA C 75 51.422 50.837 0.585 1
1 695 . 19 1 1 A 78 78 ALA CB C 75 25.258 24.152 1.106 1
1 696 . 19 1 1 A 78 78 ALA N N 75 122.638 123.188 -0.550 1
1 697 . 19 1 1 A 79 79 LYS H H 76 9.213 9.411 -0.198 1
1 698 . 19 1 1 A 79 79 LYS HA H 76 4.632 5.030 -0.398 1
1 707 . 19 1 1 A 79 79 LYS C C 76 173.669 175.297 -1.628 1
1 708 . 19 1 1 A 79 79 LYS CA C 76 55.912 54.962 0.950 1
1 709 . 19 1 1 A 79 79 LYS CB C 76 36.309 35.854 0.455 1
1 713 . 19 1 1 A 79 79 LYS N N 76 115.751 116.036 -0.285 1
1 714 . 19 1 1 A 80 80 CYS H H 77 8.602 9.080 -0.478 1
1 715 . 19 1 1 A 80 80 CYS HA H 77 5.535 6.380 -0.845 1
1 718 . 19 1 1 A 80 80 CYS C C 77 174.029 172.711 1.318 1
1 719 . 19 1 1 A 80 80 CYS CA C 77 56.029 54.783 1.246 1
1 720 . 19 1 1 A 80 80 CYS CB C 77 47.796 43.574 4.222 1
1 721 . 19 1 1 A 80 80 CYS N N 77 119.633 118.567 1.066 1
1 722 . 19 1 1 A 81 81 CYS H H 78 9.428 9.087 0.341 1
1 723 . 19 1 1 A 81 81 CYS HA H 78 5.391 5.580 -0.189 1
1 726 . 19 1 1 A 81 81 CYS C C 78 173.980 172.443 1.537 1
1 727 . 19 1 1 A 81 81 CYS CA C 78 54.237 53.671 0.566 1
1 728 . 19 1 1 A 81 81 CYS CB C 78 47.557 45.684 1.873 1
1 729 . 19 1 1 A 81 81 CYS N N 78 120.091 122.635 -2.544 1
1 730 . 19 1 1 A 82 82 CYS H H 79 9.291 8.854 0.437 1
1 731 . 19 1 1 A 82 82 CYS HA H 79 5.134 5.401 -0.267 1
1 734 . 19 1 1 A 82 82 CYS C C 79 172.349 173.653 -1.304 1
1 735 . 19 1 1 A 82 82 CYS CA C 79 56.628 57.490 -0.862 1
1 736 . 19 1 1 A 82 82 CYS CB C 79 46.122 28.785 17.337 1
1 737 . 19 1 1 A 82 82 CYS N N 79 117.137 120.715 -3.578 1
1 738 . 19 1 1 A 83 83 GLU H H 80 7.283 8.590 -1.307 1
1 739 . 19 1 1 A 83 83 GLU HA H 80 4.625 4.646 -0.021 1
1 744 . 19 1 1 A 83 83 GLU C C 80 174.435 174.424 0.011 1
1 745 . 19 1 1 A 83 83 GLU CA C 80 54.873 55.995 -1.122 1
1 746 . 19 1 1 A 83 83 GLU CB C 80 33.106 33.794 -0.688 1
1 748 . 19 1 1 A 83 83 GLU N N 80 120.821 124.495 -3.674 1
1 749 . 19 1 1 A 84 84 ASP H H 81 8.433 8.662 -0.229 1
1 750 . 19 1 1 A 84 84 ASP HA H 81 4.956 4.307 0.649 1
1 753 . 19 1 1 A 84 84 ASP C C 81 178.149 176.668 1.481 1
1 754 . 19 1 1 A 84 84 ASP CA C 81 55.409 55.137 0.272 1
1 755 . 19 1 1 A 84 84 ASP CB C 81 40.817 40.932 -0.115 1
1 756 . 19 1 1 A 84 84 ASP N N 81 121.789 124.726 -2.937 1
1 757 . 19 1 1 A 85 85 LEU H H 82 9.244 9.015 0.229 1
1 758 . 19 1 1 A 85 85 LEU HA H 82 3.308 3.345 -0.037 1
1 765 . 19 1 1 A 85 85 LEU C C 82 176.858 176.619 0.239 1
1 766 . 19 1 1 A 85 85 LEU CA C 82 56.047 56.108 -0.061 1
1 767 . 19 1 1 A 85 85 LEU CB C 82 36.885 39.334 -2.449 1
1 770 . 19 1 1 A 85 85 LEU N N 82 114.422 117.453 -3.031 1
1 771 . 19 1 1 A 86 86 CYS H H 83 8.005 7.777 0.228 1
1 772 . 19 1 1 A 86 86 CYS HA H 83 4.547 4.392 0.155 1
1 775 . 19 1 1 A 86 86 CYS C C 83 174.632 175.058 -0.426 1
1 776 . 19 1 1 A 86 86 CYS CA C 83 57.206 58.417 -1.211 1
1 777 . 19 1 1 A 86 86 CYS CB C 83 47.155 41.764 5.391 1
1 778 . 19 1 1 A 86 86 CYS N N 83 112.558 116.797 -4.239 1
1 779 . 19 1 1 A 87 87 ASN H H 84 8.859 8.306 0.553 1
1 780 . 19 1 1 A 87 87 ASN HA H 84 4.526 4.745 -0.219 1
1 783 . 19 1 1 A 87 87 ASN C C 84 172.146 175.355 -3.209 1
1 784 . 19 1 1 A 87 87 ASN CA C 84 52.617 52.386 0.231 1
1 785 . 19 1 1 A 87 87 ASN CB C 84 36.673 37.701 -1.028 1
1 786 . 19 1 1 A 87 87 ASN N N 84 119.985 114.572 5.413 1
1 787 . 19 1 1 A 88 88 ARG H H 85 7.353 7.446 -0.093 1
1 788 . 19 1 1 A 88 88 ARG HA H 85 3.734 4.364 -0.630 1
1 795 . 19 1 1 A 88 88 ARG C C 85 173.901 175.374 -1.473 1
1 796 . 19 1 1 A 88 88 ARG CA C 85 55.058 56.062 -1.004 1
1 797 . 19 1 1 A 88 88 ARG CB C 85 31.857 30.583 1.274 1
1 800 . 19 1 1 A 88 88 ARG N N 85 118.446 119.116 -0.670 1
1 801 . 19 1 1 A 89 89 SER H H 86 7.987 8.398 -0.411 1
1 802 . 19 1 1 A 89 89 SER HA H 86 3.689 4.280 -0.591 1
1 805 . 19 1 1 A 89 89 SER C C 86 174.342 175.427 -1.085 1
1 806 . 19 1 1 A 89 89 SER CA C 86 57.844 56.905 0.939 1
1 807 . 19 1 1 A 89 89 SER CB C 86 63.504 63.556 -0.052 1
1 808 . 19 1 1 A 89 89 SER N N 86 115.514 117.282 -1.768 1
1 809 . 19 1 1 A 90 90 GLU H H 87 8.461 8.522 -0.061 1
1 810 . 19 1 1 A 90 90 GLU HA H 87 4.125 4.411 -0.286 1
1 815 . 19 1 1 A 90 90 GLU C C 87 175.632 175.792 -0.160 1
1 816 . 19 1 1 A 90 90 GLU CA C 87 56.799 56.011 0.788 1
1 817 . 19 1 1 A 90 90 GLU CB C 87 30.049 29.468 0.581 1
1 819 . 19 1 1 A 90 90 GLU N N 87 122.917 125.005 -2.088 1
1 16 . 20 1 1 A 22 22 ALA H H 19 8.052 8.374 -0.322 1
1 17 . 20 1 1 A 22 22 ALA HA H 19 4.191 4.463 -0.272 1
1 21 . 20 1 1 A 22 22 ALA C C 19 176.151 176.597 -0.446 1
1 22 . 20 1 1 A 22 22 ALA CA C 19 51.960 52.007 -0.047 1
1 23 . 20 1 1 A 22 22 ALA CB C 19 19.784 20.338 -0.554 1
1 24 . 20 1 1 A 22 22 ALA N N 19 125.891 126.579 -0.688 1
1 25 . 20 1 1 A 23 23 LEU H H 20 8.117 8.549 -0.432 1
1 26 . 20 1 1 A 23 23 LEU HA H 20 4.273 5.189 -0.916 1
1 36 . 20 1 1 A 23 23 LEU C C 20 174.307 174.551 -0.244 1
1 37 . 20 1 1 A 23 23 LEU CA C 20 54.838 53.497 1.341 1
1 38 . 20 1 1 A 23 23 LEU CB C 20 44.574 46.141 -1.567 1
1 42 . 20 1 1 A 23 23 LEU N N 20 125.488 121.875 3.613 1
1 43 . 20 1 1 A 24 24 LYS H H 21 7.915 8.944 -1.029 1
1 44 . 20 1 1 A 24 24 LYS HA H 21 5.287 5.152 0.135 1
1 53 . 20 1 1 A 24 24 LYS C C 21 175.901 175.534 0.367 1
1 54 . 20 1 1 A 24 24 LYS CA C 21 54.174 55.143 -0.969 1
1 55 . 20 1 1 A 24 24 LYS CB C 21 34.841 33.401 1.440 1
1 59 . 20 1 1 A 24 24 LYS N N 21 122.369 125.154 -2.785 1
1 60 . 20 1 1 A 25 25 CYS H H 22 8.426 8.394 0.032 1
1 61 . 20 1 1 A 25 25 CYS HA H 22 4.886 5.281 -0.395 1
1 64 . 20 1 1 A 25 25 CYS C C 22 175.309 173.788 1.521 1
1 65 . 20 1 1 A 25 25 CYS CA C 22 51.680 54.595 -2.915 1
1 66 . 20 1 1 A 25 25 CYS CB C 22 41.829 44.510 -2.681 1
1 67 . 20 1 1 A 25 25 CYS N N 22 117.505 122.458 -4.953 1
1 68 . 20 1 1 A 26 26 PHE H H 23 8.960 8.623 0.337 1
1 69 . 20 1 1 A 26 26 PHE HA H 23 5.057 4.804 0.253 1
1 74 . 20 1 1 A 26 26 PHE C C 23 176.694 175.402 1.292 1
1 75 . 20 1 1 A 26 26 PHE CA C 23 60.302 58.995 1.307 1
1 76 . 20 1 1 A 26 26 PHE CB C 23 39.490 39.129 0.361 1
1 79 . 20 1 1 A 26 26 PHE N N 23 120.038 123.125 -3.087 1
1 80 . 20 1 1 A 27 27 THR H H 24 9.071 8.720 0.351 1
1 81 . 20 1 1 A 27 27 THR HA H 24 4.960 4.634 0.326 1
1 86 . 20 1 1 A 27 27 THR C C 24 173.722 173.506 0.216 1
1 87 . 20 1 1 A 27 27 THR CA C 24 59.835 62.321 -2.486 1
1 88 . 20 1 1 A 27 27 THR CB C 24 71.382 69.806 1.576 1
1 90 . 20 1 1 A 27 27 THR N N 24 114.266 120.192 -5.926 1
1 91 . 20 1 1 A 28 28 ARG H H 25 8.398 8.615 -0.217 1
1 92 . 20 1 1 A 28 28 ARG HA H 25 5.158 5.010 0.148 1
1 99 . 20 1 1 A 28 28 ARG C C 25 175.547 175.020 0.527 1
1 100 . 20 1 1 A 28 28 ARG CA C 25 54.586 55.848 -1.262 1
1 101 . 20 1 1 A 28 28 ARG CB C 25 32.443 31.104 1.339 1
1 104 . 20 1 1 A 28 28 ARG N N 25 123.189 127.534 -4.345 1
1 105 . 20 1 1 A 29 29 ASN H H 26 8.589 9.508 -0.919 1
1 106 . 20 1 1 A 29 29 ASN HA H 26 4.938 5.102 -0.164 1
1 109 . 20 1 1 A 29 29 ASN C C 26 175.273 175.801 -0.528 1
1 110 . 20 1 1 A 29 29 ASN CA C 26 52.276 52.401 -0.125 1
1 111 . 20 1 1 A 29 29 ASN CB C 26 39.660 37.935 1.725 1
1 112 . 20 1 1 A 29 29 ASN N N 26 125.242 125.380 -0.138 1
1 113 . 20 1 1 A 30 30 GLY H H 27 9.046 8.899 0.147 1
1 114 . 20 1 1 A 30 30 GLY HA2 H 27 3.649 3.850 -0.201 1
1 115 . 20 1 1 A 30 30 GLY HA3 H 27 3.996 3.850 0.146 1
1 116 . 20 1 1 A 30 30 GLY C C 27 174.707 173.932 0.775 1
1 117 . 20 1 1 A 30 30 GLY CA C 27 46.906 47.315 -0.409 1
1 118 . 20 1 1 A 30 30 GLY N N 27 115.613 115.419 0.194 1
1 119 . 20 1 1 A 31 31 ASP H H 28 8.956 8.747 0.209 1
1 120 . 20 1 1 A 31 31 ASP HA H 28 4.648 4.907 -0.259 1
1 123 . 20 1 1 A 31 31 ASP C C 28 175.670 175.520 0.150 1
1 124 . 20 1 1 A 31 31 ASP CA C 28 54.939 54.395 0.544 1
1 125 . 20 1 1 A 31 31 ASP CB C 28 41.505 43.980 -2.475 1
1 126 . 20 1 1 A 31 31 ASP N N 28 126.791 123.838 2.953 1
1 127 . 20 1 1 A 32 32 ASP H H 29 7.973 7.695 0.278 1
1 128 . 20 1 1 A 32 32 ASP HA H 29 4.778 4.378 0.400 1
1 131 . 20 1 1 A 32 32 ASP C C 29 174.871 175.689 -0.818 1
1 132 . 20 1 1 A 32 32 ASP CA C 29 54.192 54.878 -0.686 1
1 133 . 20 1 1 A 32 32 ASP CB C 29 42.663 41.392 1.271 1
1 134 . 20 1 1 A 32 32 ASP N N 29 120.240 119.782 0.458 1
1 135 . 20 1 1 A 33 33 ARG H H 30 8.682 8.815 -0.133 1
1 136 . 20 1 1 A 33 33 ARG HA H 30 5.020 5.021 -0.001 1
1 143 . 20 1 1 A 33 33 ARG C C 30 175.569 175.208 0.361 1
1 144 . 20 1 1 A 33 33 ARG CA C 30 55.487 54.832 0.655 1
1 145 . 20 1 1 A 33 33 ARG CB C 30 31.962 31.616 0.346 1
1 148 . 20 1 1 A 33 33 ARG N N 30 125.183 125.095 0.088 1
1 149 . 20 1 1 A 34 34 THR H H 31 8.976 8.934 0.042 1
1 150 . 20 1 1 A 34 34 THR HA H 31 4.764 4.864 -0.100 1
1 155 . 20 1 1 A 34 34 THR C C 31 172.745 174.621 -1.876 1
1 156 . 20 1 1 A 34 34 THR CA C 31 59.891 61.947 -2.056 1
1 157 . 20 1 1 A 34 34 THR CB C 31 71.522 70.385 1.137 1
1 159 . 20 1 1 A 34 34 THR N N 31 120.162 121.598 -1.436 1
1 160 . 20 1 1 A 35 35 VAL H H 32 8.286 8.618 -0.332 1
1 161 . 20 1 1 A 35 35 VAL HA H 32 4.110 4.212 -0.102 1
1 169 . 20 1 1 A 35 35 VAL C C 32 175.720 175.626 0.094 1
1 170 . 20 1 1 A 35 35 VAL CA C 32 62.838 63.060 -0.222 1
1 171 . 20 1 1 A 35 35 VAL CB C 32 32.883 31.118 1.765 1
1 174 . 20 1 1 A 35 35 VAL N N 32 122.209 126.858 -4.649 1
1 175 . 20 1 1 A 36 36 THR H H 33 8.749 8.528 0.221 1
1 176 . 20 1 1 A 36 36 THR HA H 33 4.486 5.363 -0.877 1
1 181 . 20 1 1 A 36 36 THR C C 33 173.029 172.535 0.494 1
1 182 . 20 1 1 A 36 36 THR CA C 33 61.029 59.845 1.184 1
1 183 . 20 1 1 A 36 36 THR CB C 33 71.425 71.889 -0.464 1
1 185 . 20 1 1 A 36 36 THR N N 33 125.259 118.182 7.077 1
1 186 . 20 1 1 A 37 37 THR H H 34 8.544 8.804 -0.260 1
1 187 . 20 1 1 A 37 37 THR HA H 34 4.371 4.542 -0.171 1
1 192 . 20 1 1 A 37 37 THR C C 34 173.839 173.235 0.604 1
1 193 . 20 1 1 A 37 37 THR CA C 34 62.892 60.919 1.973 1
1 194 . 20 1 1 A 37 37 THR CB C 34 68.156 69.114 -0.958 1
1 196 . 20 1 1 A 37 37 THR N N 34 122.774 119.318 3.456 1
1 197 . 20 1 1 A 38 38 CYS H H 35 9.227 9.170 0.057 1
1 198 . 20 1 1 A 38 38 CYS HA H 35 4.516 4.938 -0.422 1
1 201 . 20 1 1 A 38 38 CYS C C 35 174.923 173.622 1.301 1
1 202 . 20 1 1 A 38 38 CYS CA C 35 52.962 55.147 -2.185 1
1 203 . 20 1 1 A 38 38 CYS CB C 35 37.439 44.044 -6.605 1
1 204 . 20 1 1 A 38 38 CYS N N 35 129.056 127.614 1.442 1
1 205 . 20 1 1 A 39 39 ALA H H 36 8.113 8.230 -0.117 1
1 206 . 20 1 1 A 39 39 ALA HA H 36 4.313 4.426 -0.113 1
1 210 . 20 1 1 A 39 39 ALA C C 36 178.809 178.620 0.189 1
1 211 . 20 1 1 A 39 39 ALA CA C 36 52.125 52.184 -0.059 1
1 212 . 20 1 1 A 39 39 ALA CB C 36 19.235 19.204 0.031 1
1 213 . 20 1 1 A 39 39 ALA N N 36 122.621 125.191 -2.570 1
1 214 . 20 1 1 A 40 40 GLU H H 37 8.701 8.851 -0.150 1
1 215 . 20 1 1 A 40 40 GLU HA H 37 3.826 4.006 -0.180 1
1 220 . 20 1 1 A 40 40 GLU C C 37 177.999 178.792 -0.793 1
1 221 . 20 1 1 A 40 40 GLU CA C 37 60.104 58.762 1.342 1
1 222 . 20 1 1 A 40 40 GLU CB C 37 29.712 29.063 0.649 1
1 224 . 20 1 1 A 40 40 GLU N N 37 120.905 120.912 -0.007 1
1 225 . 20 1 1 A 41 41 GLU H H 38 8.870 8.199 0.671 1
1 226 . 20 1 1 A 41 41 GLU HA H 38 4.233 4.031 0.202 1
1 231 . 20 1 1 A 41 41 GLU C C 38 176.790 177.326 -0.536 1
1 232 . 20 1 1 A 41 41 GLU CA C 38 57.438 59.487 -2.049 1
1 233 . 20 1 1 A 41 41 GLU CB C 38 28.813 29.151 -0.338 1
1 235 . 20 1 1 A 41 41 GLU N N 38 113.838 120.398 -6.560 1
1 236 . 20 1 1 A 42 42 GLN H H 39 7.935 8.241 -0.306 1
1 237 . 20 1 1 A 42 42 GLN HA H 39 4.069 4.570 -0.501 1
1 242 . 20 1 1 A 42 42 GLN C C 39 174.033 176.084 -2.051 1
1 243 . 20 1 1 A 42 42 GLN CA C 39 55.177 54.385 0.792 1
1 244 . 20 1 1 A 42 42 GLN CB C 39 28.144 27.079 1.065 1
1 246 . 20 1 1 A 42 42 GLN N N 39 120.919 117.283 3.636 1
1 247 . 20 1 1 A 43 43 THR H H 40 6.846 7.802 -0.956 1
1 248 . 20 1 1 A 43 43 THR HA H 40 4.340 4.364 -0.024 1
1 253 . 20 1 1 A 43 43 THR C C 40 175.221 173.288 1.933 1
1 254 . 20 1 1 A 43 43 THR CA C 40 60.677 62.038 -1.361 1
1 255 . 20 1 1 A 43 43 THR CB C 40 68.516 68.795 -0.279 1
1 257 . 20 1 1 A 43 43 THR N N 40 109.859 115.590 -5.731 1
1 258 . 20 1 1 A 44 44 ARG H H 41 8.496 7.446 1.050 1
1 259 . 20 1 1 A 44 44 ARG HA H 41 5.001 4.799 0.202 1
1 266 . 20 1 1 A 44 44 ARG C C 41 174.082 174.958 -0.876 1
1 267 . 20 1 1 A 44 44 ARG CA C 41 52.838 53.964 -1.126 1
1 268 . 20 1 1 A 44 44 ARG CB C 41 34.466 33.860 0.606 1
1 271 . 20 1 1 A 44 44 ARG N N 41 122.000 119.984 2.016 1
1 272 . 20 1 1 A 45 45 CYS H H 42 8.814 9.002 -0.188 1
1 273 . 20 1 1 A 45 45 CYS HA H 42 5.566 5.169 0.397 1
1 276 . 20 1 1 A 45 45 CYS C C 42 173.806 171.361 2.445 1
1 277 . 20 1 1 A 45 45 CYS CA C 42 51.956 55.083 -3.127 1
1 278 . 20 1 1 A 45 45 CYS CB C 42 38.526 46.511 -7.985 1
1 279 . 20 1 1 A 45 45 CYS N N 42 115.378 118.517 -3.139 1
1 280 . 20 1 1 A 46 46 LEU H H 43 9.234 9.548 -0.314 1
1 281 . 20 1 1 A 46 46 LEU HA H 43 5.382 5.007 0.375 1
1 291 . 20 1 1 A 46 46 LEU C C 43 176.639 175.316 1.323 1
1 292 . 20 1 1 A 46 46 LEU CA C 43 53.739 53.636 0.103 1
1 293 . 20 1 1 A 46 46 LEU CB C 43 46.024 43.952 2.072 1
1 297 . 20 1 1 A 46 46 LEU N N 43 122.940 127.427 -4.487 1
1 298 . 20 1 1 A 47 47 PHE H H 44 9.048 9.180 -0.132 1
1 299 . 20 1 1 A 47 47 PHE HA H 44 5.700 6.128 -0.428 1
1 306 . 20 1 1 A 47 47 PHE C C 44 173.708 173.676 0.032 1
1 307 . 20 1 1 A 47 47 PHE CA C 44 56.494 55.626 0.868 1
1 308 . 20 1 1 A 47 47 PHE CB C 44 44.246 41.973 2.273 1
1 313 . 20 1 1 A 47 47 PHE N N 44 128.522 127.796 0.726 1
1 314 . 20 1 1 A 48 48 VAL H H 45 8.086 8.689 -0.603 1
1 315 . 20 1 1 A 48 48 VAL HA H 45 4.234 4.483 -0.249 1
1 323 . 20 1 1 A 48 48 VAL C C 45 173.728 174.991 -1.263 1
1 324 . 20 1 1 A 48 48 VAL CA C 45 61.110 60.524 0.586 1
1 325 . 20 1 1 A 48 48 VAL CB C 45 36.121 33.757 2.364 1
1 328 . 20 1 1 A 48 48 VAL N N 45 124.455 127.692 -3.237 1
1 329 . 20 1 1 A 49 49 GLN H H 46 8.391 8.828 -0.437 1
1 330 . 20 1 1 A 49 49 GLN HA H 46 4.155 4.381 -0.226 1
1 335 . 20 1 1 A 49 49 GLN C C 46 174.214 175.717 -1.503 1
1 336 . 20 1 1 A 49 49 GLN CA C 46 54.491 55.986 -1.495 1
1 337 . 20 1 1 A 49 49 GLN CB C 46 29.986 29.109 0.877 1
1 339 . 20 1 1 A 49 49 GLN N N 46 126.537 126.169 0.368 1
1 340 . 20 1 1 A 50 50 LEU H H 47 7.646 8.273 -0.627 1
1 341 . 20 1 1 A 50 50 LEU HA H 47 3.856 4.935 -1.079 1
1 351 . 20 1 1 A 50 50 LEU C C 47 175.649 176.750 -1.101 1
1 352 . 20 1 1 A 50 50 LEU CA C 47 53.706 51.380 2.326 1
1 353 . 20 1 1 A 50 50 LEU CB C 47 39.821 45.263 -5.442 1
1 357 . 20 1 1 A 50 50 LEU N N 47 127.637 124.407 3.230 1
1 358 . 20 1 1 A 51 51 PRO HA H 48 3.921 4.495 -0.574 1
1 365 . 20 1 1 A 51 51 PRO C C 48 177.492 175.924 1.568 1
1 366 . 20 1 1 A 51 51 PRO CA C 48 65.923 63.690 2.233 1
1 367 . 20 1 1 A 51 51 PRO CB C 48 31.509 32.516 -1.007 1
1 370 . 20 1 1 A 52 52 TYR H H 49 7.517 7.941 -0.424 1
1 371 . 20 1 1 A 52 52 TYR HA H 49 4.790 4.789 0.001 1
1 378 . 20 1 1 A 52 52 TYR C C 49 175.214 175.379 -0.165 1
1 379 . 20 1 1 A 52 52 TYR CA C 49 55.767 58.310 -2.543 1
1 380 . 20 1 1 A 52 52 TYR CB C 49 39.277 40.917 -1.640 1
1 385 . 20 1 1 A 52 52 TYR N N 49 109.643 117.607 -7.964 1
1 386 . 20 1 1 A 53 53 SER H H 50 6.986 7.736 -0.750 1
1 387 . 20 1 1 A 53 53 SER HA H 50 4.409 4.803 -0.394 1
1 390 . 20 1 1 A 53 53 SER C C 50 171.925 172.318 -0.393 1
1 391 . 20 1 1 A 53 53 SER CA C 50 57.189 57.505 -0.316 1
1 392 . 20 1 1 A 53 53 SER CB C 50 63.786 66.689 -2.903 1
1 393 . 20 1 1 A 53 53 SER N N 50 112.994 112.674 0.320 1
1 394 . 20 1 1 A 54 54 GLU H H 51 7.890 8.586 -0.696 1
1 395 . 20 1 1 A 54 54 GLU HA H 51 4.903 5.160 -0.257 1
1 400 . 20 1 1 A 54 54 GLU C C 51 175.536 175.494 0.042 1
1 401 . 20 1 1 A 54 54 GLU CA C 51 54.722 54.511 0.211 1
1 402 . 20 1 1 A 54 54 GLU CB C 51 33.225 34.130 -0.905 1
1 404 . 20 1 1 A 54 54 GLU N N 51 115.330 119.486 -4.156 1
1 405 . 20 1 1 A 55 55 ILE H H 52 8.600 8.367 0.233 1
1 406 . 20 1 1 A 55 55 ILE HA H 52 4.302 4.641 -0.339 1
1 416 . 20 1 1 A 55 55 ILE C C 52 175.783 175.439 0.344 1
1 417 . 20 1 1 A 55 55 ILE CA C 52 60.360 60.356 0.004 1
1 418 . 20 1 1 A 55 55 ILE CB C 52 39.228 38.114 1.114 1
1 422 . 20 1 1 A 55 55 ILE N N 52 122.129 123.958 -1.829 1
1 423 . 20 1 1 A 56 56 GLN H H 53 8.573 8.617 -0.044 1
1 424 . 20 1 1 A 56 56 GLN HA H 53 5.394 5.819 -0.425 1
1 429 . 20 1 1 A 56 56 GLN C C 53 174.379 174.608 -0.229 1
1 430 . 20 1 1 A 56 56 GLN CA C 53 54.790 54.608 0.182 1
1 431 . 20 1 1 A 56 56 GLN CB C 53 33.315 32.400 0.915 1
1 433 . 20 1 1 A 56 56 GLN N N 53 126.768 126.300 0.468 1
1 434 . 20 1 1 A 57 57 GLU H H 54 7.782 8.688 -0.906 1
1 435 . 20 1 1 A 57 57 GLU HA H 54 4.967 4.844 0.123 1
1 440 . 20 1 1 A 57 57 GLU C C 54 176.345 174.086 2.259 1
1 441 . 20 1 1 A 57 57 GLU CA C 54 55.405 55.283 0.122 1
1 442 . 20 1 1 A 57 57 GLU CB C 54 36.080 32.199 3.881 1
1 444 . 20 1 1 A 57 57 GLU N N 54 117.990 119.942 -1.952 1
1 445 . 20 1 1 A 58 58 CYS H H 55 8.780 8.484 0.296 1
1 446 . 20 1 1 A 58 58 CYS HA H 55 5.145 5.375 -0.230 1
1 449 . 20 1 1 A 58 58 CYS C C 55 175.293 173.335 1.958 1
1 450 . 20 1 1 A 58 58 CYS CA C 55 57.749 54.703 3.046 1
1 451 . 20 1 1 A 58 58 CYS CB C 55 45.523 44.050 1.473 1
1 452 . 20 1 1 A 58 58 CYS N N 55 119.662 119.163 0.499 1
1 453 . 20 1 1 A 59 59 LYS H H 56 9.277 8.533 0.744 1
1 454 . 20 1 1 A 59 59 LYS HA H 56 4.896 4.870 0.026 1
1 463 . 20 1 1 A 59 59 LYS C C 56 176.049 176.132 -0.083 1
1 464 . 20 1 1 A 59 59 LYS CA C 56 53.903 54.795 -0.892 1
1 465 . 20 1 1 A 59 59 LYS CB C 56 40.637 36.577 4.060 1
1 469 . 20 1 1 A 59 59 LYS N N 56 120.535 123.726 -3.191 1
1 470 . 20 1 1 A 60 60 THR H H 57 7.997 8.775 -0.778 1
1 471 . 20 1 1 A 60 60 THR HA H 57 4.876 4.658 0.218 1
1 476 . 20 1 1 A 60 60 THR C C 57 175.637 176.276 -0.639 1
1 477 . 20 1 1 A 60 60 THR CA C 57 61.017 61.313 -0.296 1
1 478 . 20 1 1 A 60 60 THR CB C 57 70.774 70.480 0.294 1
1 480 . 20 1 1 A 60 60 THR N N 57 108.910 113.504 -4.594 1
1 481 . 20 1 1 A 61 61 VAL H H 58 8.689 8.783 -0.094 1
1 482 . 20 1 1 A 61 61 VAL HA H 58 3.477 3.668 -0.191 1
1 490 . 20 1 1 A 61 61 VAL C C 58 178.541 177.465 1.076 1
1 491 . 20 1 1 A 61 61 VAL CA C 58 67.024 67.162 -0.138 1
1 492 . 20 1 1 A 61 61 VAL CB C 58 31.751 32.026 -0.275 1
1 495 . 20 1 1 A 61 61 VAL N N 58 121.313 122.646 -1.333 1
1 496 . 20 1 1 A 62 62 GLN H H 59 8.564 8.180 0.384 1
1 497 . 20 1 1 A 62 62 GLN HA H 59 4.062 4.000 0.062 1
1 502 . 20 1 1 A 62 62 GLN C C 59 178.871 178.134 0.737 1
1 503 . 20 1 1 A 62 62 GLN CA C 59 58.993 59.347 -0.354 1
1 504 . 20 1 1 A 62 62 GLN CB C 59 28.085 28.519 -0.434 1
1 506 . 20 1 1 A 62 62 GLN N N 59 119.395 119.118 0.277 1
1 507 . 20 1 1 A 63 63 GLN H H 60 7.644 7.956 -0.312 1
1 508 . 20 1 1 A 63 63 GLN HA H 60 4.082 3.972 0.110 1
1 513 . 20 1 1 A 63 63 GLN C C 60 179.023 177.963 1.060 1
1 514 . 20 1 1 A 63 63 GLN CA C 60 58.106 59.002 -0.896 1
1 515 . 20 1 1 A 63 63 GLN CB C 60 29.283 28.282 1.001 1
1 517 . 20 1 1 A 63 63 GLN N N 60 116.638 117.982 -1.344 1
1 518 . 20 1 1 A 64 64 CYS H H 61 8.543 8.143 0.400 1
1 519 . 20 1 1 A 64 64 CYS HA H 61 3.951 4.374 -0.423 1
1 522 . 20 1 1 A 64 64 CYS C C 61 176.171 176.098 0.073 1
1 523 . 20 1 1 A 64 64 CYS CA C 61 64.735 58.891 5.844 1
1 524 . 20 1 1 A 64 64 CYS CB C 61 40.828 42.024 -1.196 1
1 525 . 20 1 1 A 64 64 CYS N N 61 118.614 118.216 0.398 1
1 526 . 20 1 1 A 65 65 ALA H H 62 7.791 8.116 -0.325 1
1 527 . 20 1 1 A 65 65 ALA HA H 62 4.021 3.988 0.033 1
1 531 . 20 1 1 A 65 65 ALA C C 62 180.353 179.498 0.855 1
1 532 . 20 1 1 A 65 65 ALA CA C 62 55.249 55.447 -0.198 1
1 533 . 20 1 1 A 65 65 ALA CB C 62 18.069 17.641 0.428 1
1 534 . 20 1 1 A 65 65 ALA N N 62 119.479 122.707 -3.228 1
1 535 . 20 1 1 A 66 66 GLU H H 63 7.685 8.459 -0.774 1
1 536 . 20 1 1 A 66 66 GLU HA H 63 4.041 4.078 -0.037 1
1 541 . 20 1 1 A 66 66 GLU C C 63 179.701 179.189 0.512 1
1 542 . 20 1 1 A 66 66 GLU CA C 63 59.440 59.534 -0.094 1
1 543 . 20 1 1 A 66 66 GLU CB C 63 29.735 29.402 0.333 1
1 545 . 20 1 1 A 66 66 GLU N N 63 117.981 118.458 -0.477 1
1 546 . 20 1 1 A 67 67 VAL H H 64 7.795 8.226 -0.431 1
1 547 . 20 1 1 A 67 67 VAL HA H 64 3.826 4.327 -0.501 1
1 555 . 20 1 1 A 67 67 VAL C C 64 178.078 177.850 0.228 1
1 556 . 20 1 1 A 67 67 VAL CA C 64 66.262 65.861 0.401 1
1 557 . 20 1 1 A 67 67 VAL CB C 64 31.703 31.204 0.499 1
1 560 . 20 1 1 A 67 67 VAL N N 64 120.422 116.955 3.467 1
1 561 . 20 1 1 A 68 68 LEU H H 65 8.563 8.285 0.278 1
1 562 . 20 1 1 A 68 68 LEU HA H 65 3.897 3.965 -0.068 1
1 572 . 20 1 1 A 68 68 LEU C C 65 180.593 178.344 2.249 1
1 573 . 20 1 1 A 68 68 LEU CA C 65 58.495 58.612 -0.117 1
1 574 . 20 1 1 A 68 68 LEU CB C 65 41.633 41.287 0.346 1
1 578 . 20 1 1 A 68 68 LEU N N 65 119.314 124.952 -5.638 1
1 579 . 20 1 1 A 69 69 GLU H H 66 8.071 7.864 0.207 1
1 580 . 20 1 1 A 69 69 GLU HA H 66 3.947 4.042 -0.095 1
1 585 . 20 1 1 A 69 69 GLU C C 66 178.591 178.367 0.224 1
1 586 . 20 1 1 A 69 69 GLU CA C 66 59.727 59.124 0.603 1
1 587 . 20 1 1 A 69 69 GLU CB C 66 29.549 29.109 0.440 1
1 589 . 20 1 1 A 69 69 GLU N N 66 120.124 118.667 1.457 1
1 590 . 20 1 1 A 70 70 GLU H H 67 7.471 8.024 -0.553 1
1 591 . 20 1 1 A 70 70 GLU HA H 67 4.111 4.100 0.011 1
1 596 . 20 1 1 A 70 70 GLU C C 67 179.873 178.222 1.651 1
1 597 . 20 1 1 A 70 70 GLU CA C 67 59.439 59.245 0.194 1
1 598 . 20 1 1 A 70 70 GLU CB C 67 30.021 29.323 0.698 1
1 600 . 20 1 1 A 70 70 GLU N N 67 119.545 117.676 1.869 1
1 601 . 20 1 1 A 71 71 VAL H H 68 8.790 7.488 1.302 1
1 602 . 20 1 1 A 71 71 VAL HA H 68 4.137 3.853 0.284 1
1 610 . 20 1 1 A 71 71 VAL C C 68 178.818 178.400 0.418 1
1 611 . 20 1 1 A 71 71 VAL CA C 68 64.321 65.532 -1.211 1
1 612 . 20 1 1 A 71 71 VAL CB C 68 31.230 31.536 -0.306 1
1 615 . 20 1 1 A 71 71 VAL N N 68 111.497 116.701 -5.204 1
1 616 . 20 1 1 A 72 72 THR H H 69 8.231 8.345 -0.114 1
1 617 . 20 1 1 A 72 72 THR HA H 69 4.161 4.122 0.039 1
1 622 . 20 1 1 A 72 72 THR C C 69 177.502 176.348 1.154 1
1 623 . 20 1 1 A 72 72 THR CA C 69 66.179 65.947 0.232 1
1 624 . 20 1 1 A 72 72 THR CB C 69 68.770 68.563 0.207 1
1 626 . 20 1 1 A 72 72 THR N N 69 118.078 116.741 1.337 1
1 627 . 20 1 1 A 73 73 ALA H H 70 7.177 8.396 -1.219 1
1 628 . 20 1 1 A 73 73 ALA HA H 70 4.139 4.170 -0.031 1
1 632 . 20 1 1 A 73 73 ALA C C 70 179.116 179.567 -0.451 1
1 633 . 20 1 1 A 73 73 ALA CA C 70 54.690 54.482 0.208 1
1 634 . 20 1 1 A 73 73 ALA CB C 70 18.039 18.288 -0.249 1
1 635 . 20 1 1 A 73 73 ALA N N 70 123.757 123.417 0.340 1
1 636 . 20 1 1 A 74 74 ILE H H 71 6.874 7.340 -0.466 1
1 637 . 20 1 1 A 74 74 ILE HA H 71 3.988 4.142 -0.154 1
1 647 . 20 1 1 A 74 74 ILE C C 71 176.201 176.057 0.144 1
1 648 . 20 1 1 A 74 74 ILE CA C 71 61.927 61.977 -0.050 1
1 649 . 20 1 1 A 74 74 ILE CB C 71 38.431 38.788 -0.357 1
1 653 . 20 1 1 A 74 74 ILE N N 71 113.131 115.487 -2.356 1
1 654 . 20 1 1 A 75 75 GLY H H 72 7.476 7.926 -0.450 1
1 655 . 20 1 1 A 75 75 GLY HA2 H 72 3.663 3.878 -0.215 1
1 656 . 20 1 1 A 75 75 GLY HA3 H 72 4.166 3.966 0.200 1
1 657 . 20 1 1 A 75 75 GLY C C 72 174.832 173.839 0.993 1
1 658 . 20 1 1 A 75 75 GLY CA C 72 45.144 44.815 0.329 1
1 659 . 20 1 1 A 75 75 GLY N N 72 106.405 108.189 -1.784 1
1 660 . 20 1 1 A 76 76 TYR H H 73 7.340 8.129 -0.789 1
1 661 . 20 1 1 A 76 76 TYR HA H 73 5.184 4.713 0.471 1
1 668 . 20 1 1 A 76 76 TYR C C 73 173.889 173.906 -0.017 1
1 669 . 20 1 1 A 76 76 TYR CA C 73 52.922 55.710 -2.788 1
1 670 . 20 1 1 A 76 76 TYR CB C 73 36.723 38.865 -2.142 1
1 675 . 20 1 1 A 76 76 TYR N N 73 122.416 120.211 2.205 1
1 676 . 20 1 1 A 77 77 PRO HA H 74 4.394 4.423 -0.029 1
1 683 . 20 1 1 A 77 77 PRO C C 74 175.722 176.252 -0.530 1
1 684 . 20 1 1 A 77 77 PRO CA C 74 63.242 63.214 0.028 1
1 685 . 20 1 1 A 77 77 PRO CB C 74 32.460 32.004 0.456 1
1 688 . 20 1 1 A 78 78 ALA H H 75 7.778 8.514 -0.736 1
1 689 . 20 1 1 A 78 78 ALA HA H 75 5.239 5.133 0.106 1
1 693 . 20 1 1 A 78 78 ALA C C 75 176.207 175.600 0.607 1
1 694 . 20 1 1 A 78 78 ALA CA C 75 51.422 50.440 0.982 1
1 695 . 20 1 1 A 78 78 ALA CB C 75 25.258 23.514 1.744 1
1 696 . 20 1 1 A 78 78 ALA N N 75 122.638 124.167 -1.529 1
1 697 . 20 1 1 A 79 79 LYS H H 76 9.213 9.331 -0.118 1
1 698 . 20 1 1 A 79 79 LYS HA H 76 4.632 5.051 -0.419 1
1 707 . 20 1 1 A 79 79 LYS C C 76 173.669 175.310 -1.641 1
1 708 . 20 1 1 A 79 79 LYS CA C 76 55.912 54.731 1.181 1
1 709 . 20 1 1 A 79 79 LYS CB C 76 36.309 35.093 1.216 1
1 713 . 20 1 1 A 79 79 LYS N N 76 115.751 118.237 -2.486 1
1 714 . 20 1 1 A 80 80 CYS H H 77 8.602 8.954 -0.352 1
1 715 . 20 1 1 A 80 80 CYS HA H 77 5.535 6.061 -0.526 1
1 718 . 20 1 1 A 80 80 CYS C C 77 174.029 172.671 1.358 1
1 719 . 20 1 1 A 80 80 CYS CA C 77 56.029 55.088 0.941 1
1 720 . 20 1 1 A 80 80 CYS CB C 77 47.796 43.800 3.996 1
1 721 . 20 1 1 A 80 80 CYS N N 77 119.633 121.553 -1.920 1
1 722 . 20 1 1 A 81 81 CYS H H 78 9.428 9.092 0.336 1
1 723 . 20 1 1 A 81 81 CYS HA H 78 5.391 5.553 -0.162 1
1 726 . 20 1 1 A 81 81 CYS C C 78 173.980 171.964 2.016 1
1 727 . 20 1 1 A 81 81 CYS CA C 78 54.237 53.806 0.431 1
1 728 . 20 1 1 A 81 81 CYS CB C 78 47.557 45.788 1.769 1
1 729 . 20 1 1 A 81 81 CYS N N 78 120.091 123.368 -3.277 1
1 730 . 20 1 1 A 82 82 CYS H H 79 9.291 8.949 0.342 1
1 731 . 20 1 1 A 82 82 CYS HA H 79 5.134 5.060 0.074 1
1 734 . 20 1 1 A 82 82 CYS C C 79 172.349 173.399 -1.050 1
1 735 . 20 1 1 A 82 82 CYS CA C 79 56.628 57.254 -0.626 1
1 736 . 20 1 1 A 82 82 CYS CB C 79 46.122 28.331 17.791 1
1 737 . 20 1 1 A 82 82 CYS N N 79 117.137 121.982 -4.845 1
1 738 . 20 1 1 A 83 83 GLU H H 80 7.283 8.533 -1.250 1
1 739 . 20 1 1 A 83 83 GLU HA H 80 4.625 4.615 0.010 1
1 744 . 20 1 1 A 83 83 GLU C C 80 174.435 174.400 0.035 1
1 745 . 20 1 1 A 83 83 GLU CA C 80 54.873 55.990 -1.117 1
1 746 . 20 1 1 A 83 83 GLU CB C 80 33.106 34.032 -0.926 1
1 748 . 20 1 1 A 83 83 GLU N N 80 120.821 126.377 -5.556 1
1 749 . 20 1 1 A 84 84 ASP H H 81 8.433 8.631 -0.198 1
1 750 . 20 1 1 A 84 84 ASP HA H 81 4.956 4.550 0.406 1
1 753 . 20 1 1 A 84 84 ASP C C 81 178.149 176.628 1.521 1
1 754 . 20 1 1 A 84 84 ASP CA C 81 55.409 55.172 0.237 1
1 755 . 20 1 1 A 84 84 ASP CB C 81 40.817 40.712 0.105 1
1 756 . 20 1 1 A 84 84 ASP N N 81 121.789 124.709 -2.920 1
1 757 . 20 1 1 A 85 85 LEU H H 82 9.244 9.406 -0.162 1
1 758 . 20 1 1 A 85 85 LEU HA H 82 3.308 3.386 -0.078 1
1 765 . 20 1 1 A 85 85 LEU C C 82 176.858 176.639 0.219 1
1 766 . 20 1 1 A 85 85 LEU CA C 82 56.047 55.931 0.116 1
1 767 . 20 1 1 A 85 85 LEU CB C 82 36.885 38.840 -1.955 1
1 770 . 20 1 1 A 85 85 LEU N N 82 114.422 117.938 -3.516 1
1 771 . 20 1 1 A 86 86 CYS H H 83 8.005 7.682 0.323 1
1 772 . 20 1 1 A 86 86 CYS HA H 83 4.547 4.328 0.219 1
1 775 . 20 1 1 A 86 86 CYS C C 83 174.632 174.059 0.573 1
1 776 . 20 1 1 A 86 86 CYS CA C 83 57.206 59.901 -2.695 1
1 777 . 20 1 1 A 86 86 CYS CB C 83 47.155 41.579 5.576 1
1 778 . 20 1 1 A 86 86 CYS N N 83 112.558 116.830 -4.272 1
1 779 . 20 1 1 A 87 87 ASN H H 84 8.859 7.802 1.057 1
1 780 . 20 1 1 A 87 87 ASN HA H 84 4.526 4.626 -0.100 1
1 783 . 20 1 1 A 87 87 ASN C C 84 172.146 175.304 -3.158 1
1 784 . 20 1 1 A 87 87 ASN CA C 84 52.617 53.499 -0.882 1
1 785 . 20 1 1 A 87 87 ASN CB C 84 36.673 38.885 -2.212 1
1 786 . 20 1 1 A 87 87 ASN N N 84 119.985 115.855 4.130 1
1 787 . 20 1 1 A 88 88 ARG H H 85 7.353 8.200 -0.847 1
1 788 . 20 1 1 A 88 88 ARG HA H 85 3.734 4.877 -1.143 1
1 795 . 20 1 1 A 88 88 ARG C C 85 173.901 174.684 -0.783 1
1 796 . 20 1 1 A 88 88 ARG CA C 85 55.058 54.062 0.996 1
1 797 . 20 1 1 A 88 88 ARG CB C 85 31.857 33.603 -1.746 1
1 800 . 20 1 1 A 88 88 ARG N N 85 118.446 121.899 -3.453 1
1 801 . 20 1 1 A 89 89 SER H H 86 7.987 8.646 -0.659 1
1 802 . 20 1 1 A 89 89 SER HA H 86 3.689 4.381 -0.692 1
1 805 . 20 1 1 A 89 89 SER C C 86 174.342 174.124 0.218 1
1 806 . 20 1 1 A 89 89 SER CA C 86 57.844 60.458 -2.614 1
1 807 . 20 1 1 A 89 89 SER CB C 86 63.504 63.520 -0.016 1
1 808 . 20 1 1 A 89 89 SER N N 86 115.514 116.693 -1.179 1
1 809 . 20 1 1 A 90 90 GLU H H 87 8.461 9.578 -1.117 1
1 810 . 20 1 1 A 90 90 GLU HA H 87 4.125 4.496 -0.371 1
1 815 . 20 1 1 A 90 90 GLU C C 87 175.632 175.990 -0.358 1
1 816 . 20 1 1 A 90 90 GLU CA C 87 56.799 57.926 -1.127 1
1 817 . 20 1 1 A 90 90 GLU CB C 87 30.049 32.720 -2.671 1
1 819 . 20 1 1 A 90 90 GLU N N 87 122.917 126.798 -3.881 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 69 1.119 1
2 1 1 1 "RMS(OBS, PRED)" CA 69 1.516 1
3 1 1 1 "RMS(OBS, PRED)" CB 67 3.089 1
4 1 1 1 "RMS(OBS, PRED)" H 67 0.559 1
5 1 1 1 "RMS(OBS, PRED)" HA 71 0.338 1
6 1 1 1 "RMS(OBS, PRED)" N 67 3.446 1
7 1 2 1 "RMS(OBS, PRED)" C 69 1.105 1
8 1 2 1 "RMS(OBS, PRED)" CA 69 1.497 1
9 1 2 1 "RMS(OBS, PRED)" CB 67 3.102 1
10 1 2 1 "RMS(OBS, PRED)" H 67 0.613 1
11 1 2 1 "RMS(OBS, PRED)" HA 71 0.362 1
12 1 2 1 "RMS(OBS, PRED)" N 67 3.523 1
13 1 3 1 "RMS(OBS, PRED)" C 69 1.176 1
14 1 3 1 "RMS(OBS, PRED)" CA 69 1.647 1
15 1 3 1 "RMS(OBS, PRED)" CB 67 3.114 1
16 1 3 1 "RMS(OBS, PRED)" H 67 0.542 1
17 1 3 1 "RMS(OBS, PRED)" HA 71 0.362 1
18 1 3 1 "RMS(OBS, PRED)" N 67 3.029 1
19 1 4 1 "RMS(OBS, PRED)" C 69 1.162 1
20 1 4 1 "RMS(OBS, PRED)" CA 69 1.448 1
21 1 4 1 "RMS(OBS, PRED)" CB 67 2.997 1
22 1 4 1 "RMS(OBS, PRED)" H 67 0.609 1
23 1 4 1 "RMS(OBS, PRED)" HA 71 0.371 1
24 1 4 1 "RMS(OBS, PRED)" N 67 3.334 1
25 1 5 1 "RMS(OBS, PRED)" C 69 1.128 1
26 1 5 1 "RMS(OBS, PRED)" CA 69 1.451 1
27 1 5 1 "RMS(OBS, PRED)" CB 67 3.006 1
28 1 5 1 "RMS(OBS, PRED)" H 67 0.559 1
29 1 5 1 "RMS(OBS, PRED)" HA 71 0.359 1
30 1 5 1 "RMS(OBS, PRED)" N 67 3.415 1
31 1 6 1 "RMS(OBS, PRED)" C 69 1.137 1
32 1 6 1 "RMS(OBS, PRED)" CA 69 1.449 1
33 1 6 1 "RMS(OBS, PRED)" CB 67 3.021 1
34 1 6 1 "RMS(OBS, PRED)" H 67 0.560 1
35 1 6 1 "RMS(OBS, PRED)" HA 71 0.320 1
36 1 6 1 "RMS(OBS, PRED)" N 67 3.213 1
37 1 7 1 "RMS(OBS, PRED)" C 69 1.178 1
38 1 7 1 "RMS(OBS, PRED)" CA 69 1.404 1
39 1 7 1 "RMS(OBS, PRED)" CB 67 3.085 1
40 1 7 1 "RMS(OBS, PRED)" H 67 0.558 1
41 1 7 1 "RMS(OBS, PRED)" HA 71 0.335 1
42 1 7 1 "RMS(OBS, PRED)" N 67 3.259 1
43 1 8 1 "RMS(OBS, PRED)" C 69 1.140 1
44 1 8 1 "RMS(OBS, PRED)" CA 69 1.562 1
45 1 8 1 "RMS(OBS, PRED)" CB 67 3.153 1
46 1 8 1 "RMS(OBS, PRED)" H 67 0.580 1
47 1 8 1 "RMS(OBS, PRED)" HA 71 0.353 1
48 1 8 1 "RMS(OBS, PRED)" N 67 3.153 1
49 1 9 1 "RMS(OBS, PRED)" C 69 1.099 1
50 1 9 1 "RMS(OBS, PRED)" CA 69 1.504 1
51 1 9 1 "RMS(OBS, PRED)" CB 67 2.998 1
52 1 9 1 "RMS(OBS, PRED)" H 67 0.610 1
53 1 9 1 "RMS(OBS, PRED)" HA 71 0.335 1
54 1 9 1 "RMS(OBS, PRED)" N 67 3.119 1
55 1 10 1 "RMS(OBS, PRED)" C 69 1.093 1
56 1 10 1 "RMS(OBS, PRED)" CA 69 1.385 1
57 1 10 1 "RMS(OBS, PRED)" CB 67 3.167 1
58 1 10 1 "RMS(OBS, PRED)" H 67 0.539 1
59 1 10 1 "RMS(OBS, PRED)" HA 71 0.381 1
60 1 10 1 "RMS(OBS, PRED)" N 67 3.377 1
61 1 11 1 "RMS(OBS, PRED)" C 69 1.118 1
62 1 11 1 "RMS(OBS, PRED)" CA 69 1.476 1
63 1 11 1 "RMS(OBS, PRED)" CB 67 2.972 1
64 1 11 1 "RMS(OBS, PRED)" H 67 0.576 1
65 1 11 1 "RMS(OBS, PRED)" HA 71 0.359 1
66 1 11 1 "RMS(OBS, PRED)" N 67 3.407 1
67 1 12 1 "RMS(OBS, PRED)" C 69 1.111 1
68 1 12 1 "RMS(OBS, PRED)" CA 69 1.458 1
69 1 12 1 "RMS(OBS, PRED)" CB 67 3.077 1
70 1 12 1 "RMS(OBS, PRED)" H 67 0.588 1
71 1 12 1 "RMS(OBS, PRED)" HA 71 0.352 1
72 1 12 1 "RMS(OBS, PRED)" N 67 3.379 1
73 1 13 1 "RMS(OBS, PRED)" C 69 1.099 1
74 1 13 1 "RMS(OBS, PRED)" CA 69 1.454 1
75 1 13 1 "RMS(OBS, PRED)" CB 67 3.070 1
76 1 13 1 "RMS(OBS, PRED)" H 67 0.587 1
77 1 13 1 "RMS(OBS, PRED)" HA 71 0.346 1
78 1 13 1 "RMS(OBS, PRED)" N 67 3.582 1
79 1 14 1 "RMS(OBS, PRED)" C 69 1.122 1
80 1 14 1 "RMS(OBS, PRED)" CA 69 1.411 1
81 1 14 1 "RMS(OBS, PRED)" CB 67 3.099 1
82 1 14 1 "RMS(OBS, PRED)" H 67 0.532 1
83 1 14 1 "RMS(OBS, PRED)" HA 71 0.350 1
84 1 14 1 "RMS(OBS, PRED)" N 67 3.310 1
85 1 15 1 "RMS(OBS, PRED)" C 69 1.091 1
86 1 15 1 "RMS(OBS, PRED)" CA 69 1.441 1
87 1 15 1 "RMS(OBS, PRED)" CB 67 2.983 1
88 1 15 1 "RMS(OBS, PRED)" H 67 0.572 1
89 1 15 1 "RMS(OBS, PRED)" HA 71 0.352 1
90 1 15 1 "RMS(OBS, PRED)" N 67 3.117 1
91 1 16 1 "RMS(OBS, PRED)" C 69 1.081 1
92 1 16 1 "RMS(OBS, PRED)" CA 69 1.495 1
93 1 16 1 "RMS(OBS, PRED)" CB 67 3.062 1
94 1 16 1 "RMS(OBS, PRED)" H 67 0.591 1
95 1 16 1 "RMS(OBS, PRED)" HA 71 0.386 1
96 1 16 1 "RMS(OBS, PRED)" N 67 3.220 1
97 1 17 1 "RMS(OBS, PRED)" C 69 1.092 1
98 1 17 1 "RMS(OBS, PRED)" CA 69 1.434 1
99 1 17 1 "RMS(OBS, PRED)" CB 67 3.239 1
100 1 17 1 "RMS(OBS, PRED)" H 67 0.542 1
101 1 17 1 "RMS(OBS, PRED)" HA 71 0.335 1
102 1 17 1 "RMS(OBS, PRED)" N 67 3.378 1
103 1 18 1 "RMS(OBS, PRED)" C 69 1.075 1
104 1 18 1 "RMS(OBS, PRED)" CA 69 1.412 1
105 1 18 1 "RMS(OBS, PRED)" CB 67 3.025 1
106 1 18 1 "RMS(OBS, PRED)" H 67 0.588 1
107 1 18 1 "RMS(OBS, PRED)" HA 71 0.325 1
108 1 18 1 "RMS(OBS, PRED)" N 67 3.130 1
109 1 19 1 "RMS(OBS, PRED)" C 69 1.087 1
110 1 19 1 "RMS(OBS, PRED)" CA 69 1.466 1
111 1 19 1 "RMS(OBS, PRED)" CB 67 2.944 1
112 1 19 1 "RMS(OBS, PRED)" H 67 0.558 1
113 1 19 1 "RMS(OBS, PRED)" HA 71 0.342 1
114 1 19 1 "RMS(OBS, PRED)" N 67 3.245 1
115 1 20 1 "RMS(OBS, PRED)" C 69 1.119 1
116 1 20 1 "RMS(OBS, PRED)" CA 69 1.505 1
117 1 20 1 "RMS(OBS, PRED)" CB 67 3.106 1
118 1 20 1 "RMS(OBS, PRED)" H 67 0.578 1
119 1 20 1 "RMS(OBS, PRED)" HA 71 0.364 1
120 1 20 1 "RMS(OBS, PRED)" N 67 3.361 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 16 . 1 1 A 22 22 ALA H H 19 8.052 8.519 -0.467 2
1 17 . 1 1 A 22 22 ALA HA H 19 4.191 4.546 -0.355 2
1 21 . 1 1 A 22 22 ALA C C 19 176.151 176.527 -0.376 2
1 22 . 1 1 A 22 22 ALA CA C 19 51.960 52.321 -0.361 2
1 23 . 1 1 A 22 22 ALA CB C 19 19.784 19.545 0.239 2
1 24 . 1 1 A 22 22 ALA N N 19 125.891 124.883 1.008 2
1 25 . 1 1 A 23 23 LEU H H 20 8.117 8.600 -0.483 2
1 26 . 1 1 A 23 23 LEU HA H 20 4.273 4.926 -0.653 2
1 36 . 1 1 A 23 23 LEU C C 20 174.307 174.939 -0.632 2
1 37 . 1 1 A 23 23 LEU CA C 20 54.838 53.776 1.062 2
1 38 . 1 1 A 23 23 LEU CB C 20 44.574 45.020 -0.445 2
1 42 . 1 1 A 23 23 LEU N N 20 125.488 122.857 2.631 2
1 43 . 1 1 A 24 24 LYS H H 21 7.915 8.794 -0.879 2
1 44 . 1 1 A 24 24 LYS HA H 21 5.287 5.101 0.186 2
1 53 . 1 1 A 24 24 LYS C C 21 175.901 175.493 0.408 2
1 54 . 1 1 A 24 24 LYS CA C 21 54.174 55.259 -1.085 2
1 55 . 1 1 A 24 24 LYS CB C 21 34.841 33.196 1.645 2
1 59 . 1 1 A 24 24 LYS N N 21 122.369 123.794 -1.425 2
1 60 . 1 1 A 25 25 CYS H H 22 8.426 8.396 0.030 2
1 61 . 1 1 A 25 25 CYS HA H 22 4.886 5.147 -0.261 2
1 64 . 1 1 A 25 25 CYS C C 22 175.309 173.092 2.217 2
1 65 . 1 1 A 25 25 CYS CA C 22 51.680 55.026 -3.346 2
1 66 . 1 1 A 25 25 CYS CB C 22 41.829 45.800 -3.971 2
1 67 . 1 1 A 25 25 CYS N N 22 117.505 122.291 -4.786 2
1 68 . 1 1 A 26 26 PHE H H 23 8.960 8.958 0.002 2
1 69 . 1 1 A 26 26 PHE HA H 23 5.057 5.024 0.033 2
1 74 . 1 1 A 26 26 PHE C C 23 176.694 175.687 1.007 2
1 75 . 1 1 A 26 26 PHE CA C 23 60.302 58.109 2.193 2
1 76 . 1 1 A 26 26 PHE CB C 23 39.490 39.981 -0.491 2
1 79 . 1 1 A 26 26 PHE N N 23 120.038 121.932 -1.894 2
1 80 . 1 1 A 27 27 THR H H 24 9.071 9.098 -0.027 2
1 81 . 1 1 A 27 27 THR HA H 24 4.960 5.051 -0.091 2
1 86 . 1 1 A 27 27 THR C C 24 173.722 173.160 0.562 2
1 87 . 1 1 A 27 27 THR CA C 24 59.835 61.023 -1.188 2
1 88 . 1 1 A 27 27 THR CB C 24 71.382 71.263 0.118 2
1 90 . 1 1 A 27 27 THR N N 24 114.266 116.841 -2.575 2
1 91 . 1 1 A 28 28 ARG H H 25 8.398 8.668 -0.270 2
1 92 . 1 1 A 28 28 ARG HA H 25 5.158 4.937 0.221 2
1 99 . 1 1 A 28 28 ARG C C 25 175.547 175.109 0.438 2
1 100 . 1 1 A 28 28 ARG CA C 25 54.586 55.809 -1.223 2
1 101 . 1 1 A 28 28 ARG CB C 25 32.443 31.134 1.309 2
1 104 . 1 1 A 28 28 ARG N N 25 123.189 126.362 -3.173 2
1 105 . 1 1 A 29 29 ASN H H 26 8.589 8.875 -0.286 2
1 106 . 1 1 A 29 29 ASN HA H 26 4.938 5.112 -0.173 2
1 109 . 1 1 A 29 29 ASN C C 26 175.273 175.544 -0.271 2
1 110 . 1 1 A 29 29 ASN CA C 26 52.276 52.136 0.140 2
1 111 . 1 1 A 29 29 ASN CB C 26 39.660 39.401 0.259 2
1 112 . 1 1 A 29 29 ASN N N 26 125.242 124.687 0.555 2
1 113 . 1 1 A 30 30 GLY H H 27 9.046 8.857 0.189 2
1 114 . 1 1 A 30 30 GLY HA2 H 27 3.649 3.872 -0.223 2
1 115 . 1 1 A 30 30 GLY HA3 H 27 3.996 3.874 0.122 2
1 116 . 1 1 A 30 30 GLY C C 27 174.707 174.224 0.483 2
1 117 . 1 1 A 30 30 GLY CA C 27 46.906 47.173 -0.267 2
1 118 . 1 1 A 30 30 GLY N N 27 115.613 114.776 0.837 2
1 119 . 1 1 A 31 31 ASP H H 28 8.956 8.651 0.305 2
1 120 . 1 1 A 31 31 ASP HA H 28 4.648 4.767 -0.119 2
1 123 . 1 1 A 31 31 ASP C C 28 175.670 175.452 0.218 2
1 124 . 1 1 A 31 31 ASP CA C 28 54.939 54.805 0.134 2
1 125 . 1 1 A 31 31 ASP CB C 28 41.505 42.290 -0.785 2
1 126 . 1 1 A 31 31 ASP N N 28 126.791 124.624 2.167 2
1 127 . 1 1 A 32 32 ASP H H 29 7.973 7.734 0.239 2
1 128 . 1 1 A 32 32 ASP HA H 29 4.778 4.631 0.147 2
1 131 . 1 1 A 32 32 ASP C C 29 174.871 175.681 -0.810 2
1 132 . 1 1 A 32 32 ASP CA C 29 54.192 54.050 0.142 2
1 133 . 1 1 A 32 32 ASP CB C 29 42.663 41.903 0.760 2
1 134 . 1 1 A 32 32 ASP N N 29 120.240 119.701 0.539 2
1 135 . 1 1 A 33 33 ARG H H 30 8.682 8.764 -0.082 2
1 136 . 1 1 A 33 33 ARG HA H 30 5.020 5.102 -0.082 2
1 143 . 1 1 A 33 33 ARG C C 30 175.569 175.230 0.339 2
1 144 . 1 1 A 33 33 ARG CA C 30 55.487 55.001 0.486 2
1 145 . 1 1 A 33 33 ARG CB C 30 31.962 31.811 0.151 2
1 148 . 1 1 A 33 33 ARG N N 30 125.183 122.509 2.674 2
1 149 . 1 1 A 34 34 THR H H 31 8.976 9.000 -0.024 2
1 150 . 1 1 A 34 34 THR HA H 31 4.764 4.938 -0.174 2
1 155 . 1 1 A 34 34 THR C C 31 172.745 173.954 -1.209 2
1 156 . 1 1 A 34 34 THR CA C 31 59.891 61.302 -1.411 2
1 157 . 1 1 A 34 34 THR CB C 31 71.522 70.765 0.757 2
1 159 . 1 1 A 34 34 THR N N 31 120.162 119.088 1.074 2
1 160 . 1 1 A 35 35 VAL H H 32 8.286 8.625 -0.339 2
1 161 . 1 1 A 35 35 VAL HA H 32 4.110 4.041 0.069 2
1 169 . 1 1 A 35 35 VAL C C 32 175.720 175.529 0.191 2
1 170 . 1 1 A 35 35 VAL CA C 32 62.838 62.984 -0.146 2
1 171 . 1 1 A 35 35 VAL CB C 32 32.883 31.051 1.832 2
1 174 . 1 1 A 35 35 VAL N N 32 122.209 126.257 -4.048 2
1 175 . 1 1 A 36 36 THR H H 33 8.749 8.621 0.128 2
1 176 . 1 1 A 36 36 THR HA H 33 4.486 5.226 -0.740 2
1 181 . 1 1 A 36 36 THR C C 33 173.029 172.905 0.124 2
1 182 . 1 1 A 36 36 THR CA C 33 61.029 59.792 1.237 2
1 183 . 1 1 A 36 36 THR CB C 33 71.425 71.194 0.231 2
1 185 . 1 1 A 36 36 THR N N 33 125.259 118.566 6.693 2
1 186 . 1 1 A 37 37 THR H H 34 8.544 8.799 -0.255 2
1 187 . 1 1 A 37 37 THR HA H 34 4.371 4.646 -0.275 2
1 192 . 1 1 A 37 37 THR C C 34 173.839 173.653 0.186 2
1 193 . 1 1 A 37 37 THR CA C 34 62.892 61.085 1.807 2
1 194 . 1 1 A 37 37 THR CB C 34 68.156 69.241 -1.085 2
1 196 . 1 1 A 37 37 THR N N 34 122.774 118.890 3.884 2
1 197 . 1 1 A 38 38 CYS H H 35 9.227 9.199 0.028 2
1 198 . 1 1 A 38 38 CYS HA H 35 4.516 4.960 -0.445 2
1 201 . 1 1 A 38 38 CYS C C 35 174.923 173.710 1.213 2
1 202 . 1 1 A 38 38 CYS CA C 35 52.962 54.954 -1.992 2
1 203 . 1 1 A 38 38 CYS CB C 35 37.439 44.437 -6.998 2
1 204 . 1 1 A 38 38 CYS N N 35 129.056 127.116 1.940 2
1 205 . 1 1 A 39 39 ALA H H 36 8.113 8.732 -0.619 2
1 206 . 1 1 A 39 39 ALA HA H 36 4.313 4.481 -0.168 2
1 210 . 1 1 A 39 39 ALA C C 36 178.809 178.634 0.175 2
1 211 . 1 1 A 39 39 ALA CA C 36 52.125 51.796 0.329 2
1 212 . 1 1 A 39 39 ALA CB C 36 19.235 19.926 -0.691 2
1 213 . 1 1 A 39 39 ALA N N 36 122.621 124.989 -2.368 2
1 214 . 1 1 A 40 40 GLU H H 37 8.701 8.896 -0.195 2
1 215 . 1 1 A 40 40 GLU HA H 37 3.826 4.003 -0.177 2
1 220 . 1 1 A 40 40 GLU C C 37 177.999 178.412 -0.413 2
1 221 . 1 1 A 40 40 GLU CA C 37 60.104 59.363 0.741 2
1 222 . 1 1 A 40 40 GLU CB C 37 29.712 29.245 0.467 2
1 224 . 1 1 A 40 40 GLU N N 37 120.905 118.898 2.007 2
1 225 . 1 1 A 41 41 GLU H H 38 8.870 8.551 0.319 2
1 226 . 1 1 A 41 41 GLU HA H 38 4.233 4.113 0.120 2
1 231 . 1 1 A 41 41 GLU C C 38 176.790 177.142 -0.352 2
1 232 . 1 1 A 41 41 GLU CA C 38 57.438 59.081 -1.643 2
1 233 . 1 1 A 41 41 GLU CB C 38 28.813 29.059 -0.246 2
1 235 . 1 1 A 41 41 GLU N N 38 113.838 118.602 -4.764 2
1 236 . 1 1 A 42 42 GLN H H 39 7.935 7.853 0.082 2
1 237 . 1 1 A 42 42 GLN HA H 39 4.069 4.560 -0.491 2
1 242 . 1 1 A 42 42 GLN C C 39 174.033 176.173 -2.140 2
1 243 . 1 1 A 42 42 GLN CA C 39 55.177 54.710 0.467 2
1 244 . 1 1 A 42 42 GLN CB C 39 28.144 27.684 0.460 2
1 246 . 1 1 A 42 42 GLN N N 39 120.919 118.549 2.370 2
1 247 . 1 1 A 43 43 THR H H 40 6.846 8.041 -1.195 2
1 248 . 1 1 A 43 43 THR HA H 40 4.340 4.490 -0.150 2
1 253 . 1 1 A 43 43 THR C C 40 175.221 173.671 1.550 2
1 254 . 1 1 A 43 43 THR CA C 40 60.677 61.792 -1.115 2
1 255 . 1 1 A 43 43 THR CB C 40 68.516 69.204 -0.688 2
1 257 . 1 1 A 43 43 THR N N 40 109.859 114.170 -4.311 2
1 258 . 1 1 A 44 44 ARG H H 41 8.496 7.479 1.017 2
1 259 . 1 1 A 44 44 ARG HA H 41 5.001 4.746 0.255 2
1 266 . 1 1 A 44 44 ARG C C 41 174.082 174.619 -0.537 2
1 267 . 1 1 A 44 44 ARG CA C 41 52.838 54.174 -1.336 2
1 268 . 1 1 A 44 44 ARG CB C 41 34.466 33.512 0.954 2
1 271 . 1 1 A 44 44 ARG N N 41 122.000 120.895 1.105 2
1 272 . 1 1 A 45 45 CYS H H 42 8.814 8.883 -0.069 2
1 273 . 1 1 A 45 45 CYS HA H 42 5.566 5.275 0.291 2
1 276 . 1 1 A 45 45 CYS C C 42 173.806 171.590 2.216 2
1 277 . 1 1 A 45 45 CYS CA C 42 51.956 55.089 -3.133 2
1 278 . 1 1 A 45 45 CYS CB C 42 38.526 46.340 -7.814 2
1 279 . 1 1 A 45 45 CYS N N 42 115.378 118.990 -3.612 2
1 280 . 1 1 A 46 46 LEU H H 43 9.234 9.457 -0.223 2
1 281 . 1 1 A 46 46 LEU HA H 43 5.382 5.049 0.333 2
1 291 . 1 1 A 46 46 LEU C C 43 176.639 175.334 1.305 2
1 292 . 1 1 A 46 46 LEU CA C 43 53.739 53.698 0.041 2
1 293 . 1 1 A 46 46 LEU CB C 43 46.024 44.257 1.767 2
1 297 . 1 1 A 46 46 LEU N N 43 122.940 127.529 -4.589 2
1 298 . 1 1 A 47 47 PHE H H 44 9.048 8.956 0.092 2
1 299 . 1 1 A 47 47 PHE HA H 44 5.700 5.887 -0.187 2
1 306 . 1 1 A 47 47 PHE C C 44 173.708 173.612 0.096 2
1 307 . 1 1 A 47 47 PHE CA C 44 56.494 56.240 0.254 2
1 308 . 1 1 A 47 47 PHE CB C 44 44.246 41.952 2.294 2
1 313 . 1 1 A 47 47 PHE N N 44 128.522 127.575 0.947 2
1 314 . 1 1 A 48 48 VAL H H 45 8.086 8.804 -0.718 2
1 315 . 1 1 A 48 48 VAL HA H 45 4.234 4.532 -0.298 2
1 323 . 1 1 A 48 48 VAL C C 45 173.728 174.607 -0.879 2
1 324 . 1 1 A 48 48 VAL CA C 45 61.110 60.439 0.671 2
1 325 . 1 1 A 48 48 VAL CB C 45 36.121 34.012 2.109 2
1 328 . 1 1 A 48 48 VAL N N 45 124.455 127.324 -2.869 2
1 329 . 1 1 A 49 49 GLN H H 46 8.391 8.918 -0.527 2
1 330 . 1 1 A 49 49 GLN HA H 46 4.155 4.442 -0.287 2
1 335 . 1 1 A 49 49 GLN C C 46 174.214 175.383 -1.169 2
1 336 . 1 1 A 49 49 GLN CA C 46 54.491 55.684 -1.193 2
1 337 . 1 1 A 49 49 GLN CB C 46 29.986 29.516 0.470 2
1 339 . 1 1 A 49 49 GLN N N 46 126.537 126.313 0.224 2
1 340 . 1 1 A 50 50 LEU H H 47 7.646 8.269 -0.623 2
1 341 . 1 1 A 50 50 LEU HA H 47 3.856 4.795 -0.939 2
1 351 . 1 1 A 50 50 LEU C C 47 175.649 176.569 -0.920 2
1 352 . 1 1 A 50 50 LEU CA C 47 53.706 51.388 2.318 2
1 353 . 1 1 A 50 50 LEU CB C 47 39.821 44.654 -4.833 2
1 357 . 1 1 A 50 50 LEU N N 47 127.637 125.119 2.518 2
1 358 . 1 1 A 51 51 PRO HA H 48 3.921 4.424 -0.503 2
1 365 . 1 1 A 51 51 PRO C C 48 177.492 176.072 1.420 2
1 366 . 1 1 A 51 51 PRO CA C 48 65.923 63.892 2.031 2
1 367 . 1 1 A 51 51 PRO CB C 48 31.509 31.868 -0.359 2
1 370 . 1 1 A 52 52 TYR H H 49 7.517 7.867 -0.350 2
1 371 . 1 1 A 52 52 TYR HA H 49 4.790 4.759 0.031 2
1 378 . 1 1 A 52 52 TYR C C 49 175.214 175.296 -0.082 2
1 379 . 1 1 A 52 52 TYR CA C 49 55.767 58.299 -2.532 2
1 380 . 1 1 A 52 52 TYR CB C 49 39.277 40.583 -1.306 2
1 385 . 1 1 A 52 52 TYR N N 49 109.643 116.955 -7.312 2
1 386 . 1 1 A 53 53 SER H H 50 6.986 7.782 -0.796 2
1 387 . 1 1 A 53 53 SER HA H 50 4.409 4.837 -0.428 2
1 390 . 1 1 A 53 53 SER C C 50 171.925 172.479 -0.554 2
1 391 . 1 1 A 53 53 SER CA C 50 57.189 57.235 -0.046 2
1 392 . 1 1 A 53 53 SER CB C 50 63.786 66.299 -2.513 2
1 393 . 1 1 A 53 53 SER N N 50 112.994 113.109 -0.115 2
1 394 . 1 1 A 54 54 GLU H H 51 7.890 8.757 -0.867 2
1 395 . 1 1 A 54 54 GLU HA H 51 4.903 4.992 -0.089 2
1 400 . 1 1 A 54 54 GLU C C 51 175.536 174.815 0.721 2
1 401 . 1 1 A 54 54 GLU CA C 51 54.722 54.885 -0.163 2
1 402 . 1 1 A 54 54 GLU CB C 51 33.225 33.556 -0.331 2
1 404 . 1 1 A 54 54 GLU N N 51 115.330 118.934 -3.604 2
1 405 . 1 1 A 55 55 ILE H H 52 8.600 8.559 0.041 2
1 406 . 1 1 A 55 55 ILE HA H 52 4.302 4.712 -0.410 2
1 416 . 1 1 A 55 55 ILE C C 52 175.783 175.352 0.431 2
1 417 . 1 1 A 55 55 ILE CA C 52 60.360 60.018 0.342 2
1 418 . 1 1 A 55 55 ILE CB C 52 39.228 38.792 0.436 2
1 422 . 1 1 A 55 55 ILE N N 52 122.129 123.381 -1.252 2
1 423 . 1 1 A 56 56 GLN H H 53 8.573 8.726 -0.153 2
1 424 . 1 1 A 56 56 GLN HA H 53 5.394 5.728 -0.334 2
1 429 . 1 1 A 56 56 GLN C C 53 174.379 174.555 -0.176 2
1 430 . 1 1 A 56 56 GLN CA C 53 54.790 54.614 0.176 2
1 431 . 1 1 A 56 56 GLN CB C 53 33.315 32.335 0.980 2
1 433 . 1 1 A 56 56 GLN N N 53 126.768 125.832 0.936 2
1 434 . 1 1 A 57 57 GLU H H 54 7.782 8.737 -0.955 2
1 435 . 1 1 A 57 57 GLU HA H 54 4.967 4.899 0.068 2
1 440 . 1 1 A 57 57 GLU C C 54 176.345 174.505 1.840 2
1 441 . 1 1 A 57 57 GLU CA C 54 55.405 55.327 0.078 2
1 442 . 1 1 A 57 57 GLU CB C 54 36.080 32.754 3.326 2
1 444 . 1 1 A 57 57 GLU N N 54 117.990 120.790 -2.800 2
1 445 . 1 1 A 58 58 CYS H H 55 8.780 8.400 0.380 2
1 446 . 1 1 A 58 58 CYS HA H 55 5.145 5.199 -0.054 2
1 449 . 1 1 A 58 58 CYS C C 55 175.293 173.459 1.834 2
1 450 . 1 1 A 58 58 CYS CA C 55 57.749 55.186 2.563 2
1 451 . 1 1 A 58 58 CYS CB C 55 45.523 43.387 2.136 2
1 452 . 1 1 A 58 58 CYS N N 55 119.662 119.940 -0.278 2
1 453 . 1 1 A 59 59 LYS H H 56 9.277 8.585 0.692 2
1 454 . 1 1 A 59 59 LYS HA H 56 4.896 4.899 -0.003 2
1 463 . 1 1 A 59 59 LYS C C 56 176.049 175.812 0.237 2
1 464 . 1 1 A 59 59 LYS CA C 56 53.903 54.757 -0.854 2
1 465 . 1 1 A 59 59 LYS CB C 56 40.637 36.335 4.302 2
1 469 . 1 1 A 59 59 LYS N N 56 120.535 124.459 -3.924 2
1 470 . 1 1 A 60 60 THR H H 57 7.997 8.755 -0.758 2
1 471 . 1 1 A 60 60 THR HA H 57 4.876 4.612 0.264 2
1 476 . 1 1 A 60 60 THR C C 57 175.637 176.269 -0.632 2
1 477 . 1 1 A 60 60 THR CA C 57 61.017 61.497 -0.480 2
1 478 . 1 1 A 60 60 THR CB C 57 70.774 70.450 0.324 2
1 480 . 1 1 A 60 60 THR N N 57 108.910 114.495 -5.585 2
1 481 . 1 1 A 61 61 VAL H H 58 8.689 8.649 0.040 2
1 482 . 1 1 A 61 61 VAL HA H 58 3.477 3.650 -0.173 2
1 490 . 1 1 A 61 61 VAL C C 58 178.541 177.517 1.024 2
1 491 . 1 1 A 61 61 VAL CA C 58 67.024 67.073 -0.049 2
1 492 . 1 1 A 61 61 VAL CB C 58 31.751 31.789 -0.038 2
1 495 . 1 1 A 61 61 VAL N N 58 121.313 122.798 -1.485 2
1 496 . 1 1 A 62 62 GLN H H 59 8.564 8.109 0.455 2
1 497 . 1 1 A 62 62 GLN HA H 59 4.062 4.005 0.057 2
1 502 . 1 1 A 62 62 GLN C C 59 178.871 178.422 0.449 2
1 503 . 1 1 A 62 62 GLN CA C 59 58.993 59.149 -0.156 2
1 504 . 1 1 A 62 62 GLN CB C 59 28.085 28.451 -0.366 2
1 506 . 1 1 A 62 62 GLN N N 59 119.395 119.376 0.019 2
1 507 . 1 1 A 63 63 GLN H H 60 7.644 8.015 -0.371 2
1 508 . 1 1 A 63 63 GLN HA H 60 4.082 4.385 -0.303 2
1 513 . 1 1 A 63 63 GLN C C 60 179.023 178.313 0.710 2
1 514 . 1 1 A 63 63 GLN CA C 60 58.106 58.866 -0.760 2
1 515 . 1 1 A 63 63 GLN CB C 60 29.283 28.102 1.181 2
1 517 . 1 1 A 63 63 GLN N N 60 116.638 118.008 -1.370 2
1 518 . 1 1 A 64 64 CYS H H 61 8.543 8.393 0.150 2
1 519 . 1 1 A 64 64 CYS HA H 61 3.951 4.377 -0.426 2
1 522 . 1 1 A 64 64 CYS C C 61 176.171 176.219 -0.048 2
1 523 . 1 1 A 64 64 CYS CA C 61 64.735 58.958 5.777 2
1 524 . 1 1 A 64 64 CYS CB C 61 40.828 42.098 -1.270 2
1 525 . 1 1 A 64 64 CYS N N 61 118.614 118.258 0.356 2
1 526 . 1 1 A 65 65 ALA H H 62 7.791 7.874 -0.083 2
1 527 . 1 1 A 65 65 ALA HA H 62 4.021 4.013 0.007 2
1 531 . 1 1 A 65 65 ALA C C 62 180.353 179.470 0.882 2
1 532 . 1 1 A 65 65 ALA CA C 62 55.249 55.308 -0.059 2
1 533 . 1 1 A 65 65 ALA CB C 62 18.069 18.050 0.019 2
1 534 . 1 1 A 65 65 ALA N N 62 119.479 122.985 -3.506 2
1 535 . 1 1 A 66 66 GLU H H 63 7.685 8.159 -0.474 2
1 536 . 1 1 A 66 66 GLU HA H 63 4.041 4.065 -0.024 2
1 541 . 1 1 A 66 66 GLU C C 63 179.701 178.993 0.708 2
1 542 . 1 1 A 66 66 GLU CA C 63 59.440 59.544 -0.104 2
1 543 . 1 1 A 66 66 GLU CB C 63 29.735 29.317 0.418 2
1 545 . 1 1 A 66 66 GLU N N 63 117.981 118.183 -0.202 2
1 546 . 1 1 A 67 67 VAL H H 64 7.795 8.242 -0.447 2
1 547 . 1 1 A 67 67 VAL HA H 64 3.826 4.401 -0.575 2
1 555 . 1 1 A 67 67 VAL C C 64 178.078 177.938 0.140 2
1 556 . 1 1 A 67 67 VAL CA C 64 66.262 65.869 0.393 2
1 557 . 1 1 A 67 67 VAL CB C 64 31.703 31.224 0.479 2
1 560 . 1 1 A 67 67 VAL N N 64 120.422 116.906 3.516 2
1 561 . 1 1 A 68 68 LEU H H 65 8.563 8.146 0.417 2
1 562 . 1 1 A 68 68 LEU HA H 65 3.897 3.965 -0.068 2
1 572 . 1 1 A 68 68 LEU C C 65 180.593 178.392 2.201 2
1 573 . 1 1 A 68 68 LEU CA C 65 58.495 58.709 -0.214 2
1 574 . 1 1 A 68 68 LEU CB C 65 41.633 41.451 0.182 2
1 578 . 1 1 A 68 68 LEU N N 65 119.314 125.107 -5.793 2
1 579 . 1 1 A 69 69 GLU H H 66 8.071 7.912 0.159 2
1 580 . 1 1 A 69 69 GLU HA H 66 3.947 4.250 -0.303 2
1 585 . 1 1 A 69 69 GLU C C 66 178.591 178.687 -0.096 2
1 586 . 1 1 A 69 69 GLU CA C 66 59.727 59.212 0.514 2
1 587 . 1 1 A 69 69 GLU CB C 66 29.549 29.056 0.492 2
1 589 . 1 1 A 69 69 GLU N N 66 120.124 118.599 1.525 2
1 590 . 1 1 A 70 70 GLU H H 67 7.471 8.066 -0.595 2
1 591 . 1 1 A 70 70 GLU HA H 67 4.111 4.099 0.012 2
1 596 . 1 1 A 70 70 GLU C C 67 179.873 178.265 1.608 2
1 597 . 1 1 A 70 70 GLU CA C 67 59.439 59.235 0.204 2
1 598 . 1 1 A 70 70 GLU CB C 67 30.021 29.274 0.747 2
1 600 . 1 1 A 70 70 GLU N N 67 119.545 117.952 1.593 2
1 601 . 1 1 A 71 71 VAL H H 68 8.790 7.434 1.356 2
1 602 . 1 1 A 71 71 VAL HA H 68 4.137 3.876 0.261 2
1 610 . 1 1 A 71 71 VAL C C 68 178.818 178.201 0.618 2
1 611 . 1 1 A 71 71 VAL CA C 68 64.321 65.556 -1.235 2
1 612 . 1 1 A 71 71 VAL CB C 68 31.230 31.520 -0.290 2
1 615 . 1 1 A 71 71 VAL N N 68 111.497 116.623 -5.126 2
1 616 . 1 1 A 72 72 THR H H 69 8.231 8.221 0.010 2
1 617 . 1 1 A 72 72 THR HA H 69 4.161 4.207 -0.046 2
1 622 . 1 1 A 72 72 THR C C 69 177.502 176.736 0.766 2
1 623 . 1 1 A 72 72 THR CA C 69 66.179 65.645 0.534 2
1 624 . 1 1 A 72 72 THR CB C 69 68.770 68.580 0.190 2
1 626 . 1 1 A 72 72 THR N N 69 118.078 115.865 2.213 2
1 627 . 1 1 A 73 73 ALA H H 70 7.177 8.348 -1.171 2
1 628 . 1 1 A 73 73 ALA HA H 70 4.139 4.177 -0.038 2
1 632 . 1 1 A 73 73 ALA C C 70 179.116 179.173 -0.057 2
1 633 . 1 1 A 73 73 ALA CA C 70 54.690 54.486 0.204 2
1 634 . 1 1 A 73 73 ALA CB C 70 18.039 18.343 -0.304 2
1 635 . 1 1 A 73 73 ALA N N 70 123.757 123.310 0.447 2
1 636 . 1 1 A 74 74 ILE H H 71 6.874 7.402 -0.528 2
1 637 . 1 1 A 74 74 ILE HA H 71 3.988 4.117 -0.129 2
1 647 . 1 1 A 74 74 ILE C C 71 176.201 176.021 0.180 2
1 648 . 1 1 A 74 74 ILE CA C 71 61.927 61.854 0.073 2
1 649 . 1 1 A 74 74 ILE CB C 71 38.431 38.678 -0.247 2
1 653 . 1 1 A 74 74 ILE N N 71 113.131 115.438 -2.307 2
1 654 . 1 1 A 75 75 GLY H H 72 7.476 7.768 -0.292 2
1 655 . 1 1 A 75 75 GLY HA2 H 72 3.663 3.844 -0.181 2
1 656 . 1 1 A 75 75 GLY HA3 H 72 4.166 3.943 0.223 2
1 657 . 1 1 A 75 75 GLY C C 72 174.832 173.851 0.981 2
1 658 . 1 1 A 75 75 GLY CA C 72 45.144 44.851 0.293 2
1 659 . 1 1 A 75 75 GLY N N 72 106.405 108.178 -1.773 2
1 660 . 1 1 A 76 76 TYR H H 73 7.340 7.902 -0.562 2
1 661 . 1 1 A 76 76 TYR HA H 73 5.184 4.669 0.515 2
1 668 . 1 1 A 76 76 TYR C C 73 173.889 174.193 -0.304 2
1 669 . 1 1 A 76 76 TYR CA C 73 52.922 55.993 -3.071 2
1 670 . 1 1 A 76 76 TYR CB C 73 36.723 38.911 -2.188 2
1 675 . 1 1 A 76 76 TYR N N 73 122.416 120.298 2.118 2
1 676 . 1 1 A 77 77 PRO HA H 74 4.394 4.462 -0.068 2
1 683 . 1 1 A 77 77 PRO C C 74 175.722 176.164 -0.442 2
1 684 . 1 1 A 77 77 PRO CA C 74 63.242 63.185 0.057 2
1 685 . 1 1 A 77 77 PRO CB C 74 32.460 32.112 0.348 2
1 688 . 1 1 A 78 78 ALA H H 75 7.778 8.423 -0.645 2
1 689 . 1 1 A 78 78 ALA HA H 75 5.239 5.204 0.035 2
1 693 . 1 1 A 78 78 ALA C C 75 176.207 175.608 0.599 2
1 694 . 1 1 A 78 78 ALA CA C 75 51.422 50.673 0.749 2
1 695 . 1 1 A 78 78 ALA CB C 75 25.258 23.949 1.309 2
1 696 . 1 1 A 78 78 ALA N N 75 122.638 123.580 -0.942 2
1 697 . 1 1 A 79 79 LYS H H 76 9.213 9.205 0.008 2
1 698 . 1 1 A 79 79 LYS HA H 76 4.632 5.083 -0.451 2
1 707 . 1 1 A 79 79 LYS C C 76 173.669 175.075 -1.406 2
1 708 . 1 1 A 79 79 LYS CA C 76 55.912 54.788 1.124 2
1 709 . 1 1 A 79 79 LYS CB C 76 36.309 35.748 0.561 2
1 713 . 1 1 A 79 79 LYS N N 76 115.751 116.782 -1.031 2
1 714 . 1 1 A 80 80 CYS H H 77 8.602 8.967 -0.365 2
1 715 . 1 1 A 80 80 CYS HA H 77 5.535 6.052 -0.517 2
1 718 . 1 1 A 80 80 CYS C C 77 174.029 172.590 1.439 2
1 719 . 1 1 A 80 80 CYS CA C 77 56.029 55.154 0.875 2
1 720 . 1 1 A 80 80 CYS CB C 77 47.796 43.612 4.184 2
1 721 . 1 1 A 80 80 CYS N N 77 119.633 119.600 0.034 2
1 722 . 1 1 A 81 81 CYS H H 78 9.428 9.099 0.329 2
1 723 . 1 1 A 81 81 CYS HA H 78 5.391 5.488 -0.097 2
1 726 . 1 1 A 81 81 CYS C C 78 173.980 172.284 1.696 2
1 727 . 1 1 A 81 81 CYS CA C 78 54.237 53.896 0.341 2
1 728 . 1 1 A 81 81 CYS CB C 78 47.557 45.857 1.700 2
1 729 . 1 1 A 81 81 CYS N N 78 120.091 123.552 -3.461 2
1 730 . 1 1 A 82 82 CYS H H 79 9.291 8.854 0.437 2
1 731 . 1 1 A 82 82 CYS HA H 79 5.134 5.236 -0.102 2
1 734 . 1 1 A 82 82 CYS C C 79 172.349 173.582 -1.233 2
1 735 . 1 1 A 82 82 CYS CA C 79 56.628 57.297 -0.669 2
1 736 . 1 1 A 82 82 CYS CB C 79 46.122 28.602 17.520 2
1 737 . 1 1 A 82 82 CYS N N 79 117.137 121.189 -4.052 2
1 738 . 1 1 A 83 83 GLU H H 80 7.283 8.582 -1.299 2
1 739 . 1 1 A 83 83 GLU HA H 80 4.625 4.667 -0.042 2
1 744 . 1 1 A 83 83 GLU C C 80 174.435 174.510 -0.075 2
1 745 . 1 1 A 83 83 GLU CA C 80 54.873 55.989 -1.116 2
1 746 . 1 1 A 83 83 GLU CB C 80 33.106 33.669 -0.563 2
1 748 . 1 1 A 83 83 GLU N N 80 120.821 124.858 -4.037 2
1 749 . 1 1 A 84 84 ASP H H 81 8.433 8.691 -0.258 2
1 750 . 1 1 A 84 84 ASP HA H 81 4.956 4.448 0.508 2
1 753 . 1 1 A 84 84 ASP C C 81 178.149 176.718 1.431 2
1 754 . 1 1 A 84 84 ASP CA C 81 55.409 55.207 0.202 2
1 755 . 1 1 A 84 84 ASP CB C 81 40.817 40.819 -0.002 2
1 756 . 1 1 A 84 84 ASP N N 81 121.789 124.218 -2.429 2
1 757 . 1 1 A 85 85 LEU H H 82 9.244 9.143 0.101 2
1 758 . 1 1 A 85 85 LEU HA H 82 3.308 3.684 -0.376 2
1 765 . 1 1 A 85 85 LEU C C 82 176.858 176.792 0.066 2
1 766 . 1 1 A 85 85 LEU CA C 82 56.047 56.287 -0.240 2
1 767 . 1 1 A 85 85 LEU CB C 82 36.885 39.367 -2.482 2
1 770 . 1 1 A 85 85 LEU N N 82 114.422 118.088 -3.666 2
1 771 . 1 1 A 86 86 CYS H H 83 8.005 7.814 0.191 2
1 772 . 1 1 A 86 86 CYS HA H 83 4.547 4.398 0.149 2
1 775 . 1 1 A 86 86 CYS C C 83 174.632 175.006 -0.374 2
1 776 . 1 1 A 86 86 CYS CA C 83 57.206 58.955 -1.749 2
1 777 . 1 1 A 86 86 CYS CB C 83 47.155 41.934 5.221 2
1 778 . 1 1 A 86 86 CYS N N 83 112.558 116.939 -4.381 2
1 779 . 1 1 A 87 87 ASN H H 84 8.859 8.282 0.577 2
1 780 . 1 1 A 87 87 ASN HA H 84 4.526 4.672 -0.146 2
1 783 . 1 1 A 87 87 ASN C C 84 172.146 175.327 -3.181 2
1 784 . 1 1 A 87 87 ASN CA C 84 52.617 53.032 -0.415 2
1 785 . 1 1 A 87 87 ASN CB C 84 36.673 37.664 -0.991 2
1 786 . 1 1 A 87 87 ASN N N 84 119.985 115.601 4.384 2
1 787 . 1 1 A 88 88 ARG H H 85 7.353 7.757 -0.404 2
1 788 . 1 1 A 88 88 ARG HA H 85 3.734 4.301 -0.567 2
1 795 . 1 1 A 88 88 ARG C C 85 173.901 175.224 -1.323 2
1 796 . 1 1 A 88 88 ARG CA C 85 55.058 55.800 -0.742 2
1 797 . 1 1 A 88 88 ARG CB C 85 31.857 31.496 0.361 2
1 800 . 1 1 A 88 88 ARG N N 85 118.446 120.832 -2.386 2
1 801 . 1 1 A 89 89 SER H H 86 7.987 8.270 -0.283 2
1 802 . 1 1 A 89 89 SER HA H 86 3.689 4.211 -0.522 2
1 805 . 1 1 A 89 89 SER C C 86 174.342 174.685 -0.343 2
1 806 . 1 1 A 89 89 SER CA C 86 57.844 58.334 -0.490 2
1 807 . 1 1 A 89 89 SER CB C 86 63.504 64.066 -0.562 2
1 808 . 1 1 A 89 89 SER N N 86 115.514 116.301 -0.787 2
1 809 . 1 1 A 90 90 GLU H H 87 8.461 8.860 -0.399 2
1 810 . 1 1 A 90 90 GLU HA H 87 4.125 4.181 -0.056 2
1 815 . 1 1 A 90 90 GLU C C 87 175.632 176.589 -0.957 2
1 816 . 1 1 A 90 90 GLU CA C 87 56.799 57.913 -1.114 2
1 817 . 1 1 A 90 90 GLU CB C 87 30.049 29.910 0.139 2
1 819 . 1 1 A 90 90 GLU N N 87 122.917 123.393 -0.476 2
stop_
save_