data_10170_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10170
_Entry.PDB_ID 2EN9
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 7 7 GLY CA C 7 45.432 45.644 -0.212 1
1 2 . 1 1 1 A 7 7 GLY C C 7 174.065 173.675 0.390 1
1 3 . 1 1 1 A 8 8 ALA N N 8 123.769 121.870 1.899 1
1 4 . 1 1 1 A 8 8 ALA H H 8 8.183 8.353 -0.170 1
1 5 . 1 1 1 A 8 8 ALA CA C 8 52.778 53.206 -0.428 1
1 6 . 1 1 1 A 8 8 ALA HA H 8 4.313 3.959 0.354 1
1 7 . 1 1 1 A 8 8 ALA CB C 8 19.382 17.588 1.794 1
1 11 . 1 1 1 A 8 8 ALA C C 8 178.301 176.378 1.923 1
1 12 . 1 1 1 A 9 9 GLY N N 9 108.153 104.171 3.982 1
1 13 . 1 1 1 A 9 9 GLY H H 9 8.410 7.723 0.687 1
1 14 . 1 1 1 A 9 9 GLY CA C 9 45.309 45.065 0.244 1
1 15 . 1 1 1 A 9 9 GLY HA3 H 9 3.926 4.118 -0.192 1
1 16 . 1 1 1 A 9 9 GLY C C 9 174.030 174.038 -0.008 1
1 17 . 1 1 1 A 9 9 GLY HA2 H 9 3.926 4.117 -0.191 1
1 18 . 1 1 1 A 10 10 LYS N N 10 120.547 120.736 -0.189 1
1 19 . 1 1 1 A 10 10 LYS H H 10 8.067 8.718 -0.651 1
1 20 . 1 1 1 A 10 10 LYS CA C 10 56.267 57.091 -0.824 1
1 21 . 1 1 1 A 10 10 LYS HA H 10 4.277 3.998 0.279 1
1 22 . 1 1 1 A 10 10 LYS CB C 10 33.167 30.168 2.999 1
1 30 . 1 1 1 A 10 10 LYS C C 10 176.363 175.658 0.705 1
1 35 . 1 1 1 A 11 11 LYS N N 11 122.689 121.835 0.854 1
1 36 . 1 1 1 A 11 11 LYS H H 11 8.290 7.675 0.615 1
1 37 . 1 1 1 A 11 11 LYS CA C 11 56.098 55.172 0.926 1
1 38 . 1 1 1 A 11 11 LYS HA H 11 4.180 4.625 -0.445 1
1 39 . 1 1 1 A 11 11 LYS CB C 11 32.953 34.326 -1.373 1
1 46 . 1 1 1 A 11 11 LYS C C 11 175.249 176.348 -1.099 1
1 51 . 1 1 1 A 12 12 LEU N N 12 121.792 121.567 0.225 1
1 52 . 1 1 1 A 12 12 LEU H H 12 7.790 8.633 -0.843 1
1 53 . 1 1 1 A 12 12 LEU CA C 12 54.202 54.550 -0.348 1
1 54 . 1 1 1 A 12 12 LEU HA H 12 4.419 4.463 -0.044 1
1 55 . 1 1 1 A 12 12 LEU CB C 12 44.011 43.903 0.108 1
1 67 . 1 1 1 A 12 12 LEU C C 12 176.086 176.587 -0.501 1
1 69 . 1 1 1 A 13 13 PHE N N 13 121.077 118.322 2.755 1
1 70 . 1 1 1 A 13 13 PHE H H 13 8.628 7.647 0.981 1
1 71 . 1 1 1 A 13 13 PHE CA C 13 57.309 56.412 0.897 1
1 72 . 1 1 1 A 13 13 PHE HA H 13 4.578 5.321 -0.743 1
1 73 . 1 1 1 A 13 13 PHE CB C 13 40.107 42.884 -2.777 1
1 85 . 1 1 1 A 13 13 PHE C C 13 174.502 173.945 0.557 1
1 87 . 1 1 1 A 14 14 LYS N N 14 124.720 122.988 1.732 1
1 88 . 1 1 1 A 14 14 LYS H H 14 8.757 9.056 -0.299 1
1 89 . 1 1 1 A 14 14 LYS CA C 14 55.088 54.758 0.330 1
1 90 . 1 1 1 A 14 14 LYS HA H 14 4.866 5.201 -0.335 1
1 91 . 1 1 1 A 14 14 LYS CB C 14 35.570 36.388 -0.818 1
1 99 . 1 1 1 A 14 14 LYS C C 14 174.832 174.946 -0.114 1
1 104 . 1 1 1 A 15 15 CYS N N 15 127.003 124.648 2.355 1
1 105 . 1 1 1 A 15 15 CYS H H 15 8.884 9.097 -0.213 1
1 106 . 1 1 1 A 15 15 CYS CA C 15 59.640 58.787 0.853 1
1 107 . 1 1 1 A 15 15 CYS HA H 15 4.497 4.680 -0.183 1
1 108 . 1 1 1 A 15 15 CYS CB C 15 29.562 28.490 1.072 1
1 110 . 1 1 1 A 15 15 CYS C C 15 176.310 176.042 0.268 1
1 112 . 1 1 1 A 16 16 ASN N N 16 128.404 126.417 1.987 1
1 113 . 1 1 1 A 16 16 ASN H H 16 9.250 9.153 0.097 1
1 114 . 1 1 1 A 16 16 ASN CA C 16 55.576 52.373 3.203 1
1 115 . 1 1 1 A 16 16 ASN HA H 16 4.554 4.950 -0.396 1
1 116 . 1 1 1 A 16 16 ASN CB C 16 38.591 38.021 0.570 1
1 121 . 1 1 1 A 16 16 ASN C C 16 175.713 176.164 -0.451 1
1 123 . 1 1 1 A 17 17 GLU N N 17 120.824 120.089 0.735 1
1 124 . 1 1 1 A 17 17 GLU H H 17 8.813 7.976 0.837 1
1 125 . 1 1 1 A 17 17 GLU CA C 17 58.125 56.906 1.219 1
1 126 . 1 1 1 A 17 17 GLU HA H 17 4.242 4.452 -0.210 1
1 127 . 1 1 1 A 17 17 GLU CB C 17 29.807 32.374 -2.567 1
1 131 . 1 1 1 A 17 17 GLU C C 17 176.504 177.605 -1.101 1
1 134 . 1 1 1 A 18 18 CYS N N 18 116.605 114.545 2.060 1
1 135 . 1 1 1 A 18 18 CYS H H 18 7.948 7.856 0.092 1
1 136 . 1 1 1 A 18 18 CYS CA C 18 58.408 57.836 0.572 1
1 137 . 1 1 1 A 18 18 CYS HA H 18 5.061 4.640 0.421 1
1 138 . 1 1 1 A 18 18 CYS CB C 18 31.357 28.471 2.886 1
1 140 . 1 1 1 A 18 18 CYS C C 18 175.034 174.603 0.431 1
1 142 . 1 1 1 A 19 19 LYS N N 19 115.996 115.831 0.165 1
1 143 . 1 1 1 A 19 19 LYS H H 19 8.013 7.618 0.395 1
1 144 . 1 1 1 A 19 19 LYS CA C 19 57.801 57.247 0.554 1
1 145 . 1 1 1 A 19 19 LYS HA H 19 4.131 3.953 0.178 1
1 146 . 1 1 1 A 19 19 LYS CB C 19 29.728 30.053 -0.325 1
1 153 . 1 1 1 A 19 19 LYS C C 19 175.710 174.759 0.951 1
1 158 . 1 1 1 A 20 20 LYS N N 20 122.163 118.843 3.320 1
1 159 . 1 1 1 A 20 20 LYS H H 20 8.056 7.783 0.273 1
1 160 . 1 1 1 A 20 20 LYS CA C 20 58.153 54.602 3.551 1
1 161 . 1 1 1 A 20 20 LYS HA H 20 4.068 4.828 -0.760 1
1 162 . 1 1 1 A 20 20 LYS CB C 20 33.850 35.501 -1.651 1
1 170 . 1 1 1 A 20 20 LYS C C 20 175.054 175.386 -0.332 1
1 175 . 1 1 1 A 21 21 THR N N 21 111.093 113.391 -2.298 1
1 176 . 1 1 1 A 21 21 THR H H 21 7.640 8.653 -1.013 1
1 177 . 1 1 1 A 21 21 THR CA C 21 59.789 59.328 0.461 1
1 178 . 1 1 1 A 21 21 THR HA H 21 5.059 5.298 -0.239 1
1 179 . 1 1 1 A 21 21 THR CB C 21 71.613 72.156 -0.543 1
1 185 . 1 1 1 A 21 21 THR C C 21 173.193 173.724 -0.531 1
1 186 . 1 1 1 A 22 22 PHE N N 22 117.679 118.292 -0.613 1
1 187 . 1 1 1 A 22 22 PHE H H 22 8.794 8.929 -0.135 1
1 188 . 1 1 1 A 22 22 PHE CA C 22 56.872 56.372 0.500 1
1 189 . 1 1 1 A 22 22 PHE HA H 22 4.857 4.996 -0.139 1
1 190 . 1 1 1 A 22 22 PHE CB C 22 43.851 41.747 2.104 1
1 202 . 1 1 1 A 22 22 PHE C C 22 175.647 176.083 -0.436 1
1 204 . 1 1 1 A 23 23 THR N N 23 111.367 119.117 -7.750 1
1 205 . 1 1 1 A 23 23 THR H H 23 8.994 8.846 0.148 1
1 206 . 1 1 1 A 23 23 THR CA C 23 62.862 66.236 -3.374 1
1 207 . 1 1 1 A 23 23 THR HA H 23 4.704 3.942 0.762 1
1 208 . 1 1 1 A 23 23 THR CB C 23 69.427 68.903 0.524 1
1 214 . 1 1 1 A 23 23 THR C C 23 174.807 174.967 -0.160 1
1 215 . 1 1 1 A 24 24 GLN N N 24 116.885 119.026 -2.141 1
1 216 . 1 1 1 A 24 24 GLN H H 24 7.420 8.078 -0.658 1
1 217 . 1 1 1 A 24 24 GLN CA C 24 54.233 54.164 0.069 1
1 218 . 1 1 1 A 24 24 GLN HA H 24 4.695 4.952 -0.257 1
1 219 . 1 1 1 A 24 24 GLN CB C 24 32.047 32.277 -0.230 1
1 226 . 1 1 1 A 24 24 GLN C C 24 175.738 176.514 -0.776 1
1 229 . 1 1 1 A 25 25 SER CA C 25 60.953 61.665 -0.712 1
1 230 . 1 1 1 A 25 25 SER HA H 25 3.007 4.008 -1.001 1
1 231 . 1 1 1 A 25 25 SER CB C 25 61.858 62.301 -0.443 1
1 234 . 1 1 1 A 26 26 SER CA C 26 60.852 61.583 -0.731 1
1 235 . 1 1 1 A 26 26 SER HA H 26 4.030 3.957 0.073 1
1 236 . 1 1 1 A 26 26 SER CB C 26 61.476 63.050 -1.574 1
1 238 . 1 1 1 A 26 26 SER C C 26 176.745 177.011 -0.266 1
1 240 . 1 1 1 A 27 27 SER N N 27 116.833 117.487 -0.654 1
1 241 . 1 1 1 A 27 27 SER H H 27 6.854 8.012 -1.158 1
1 242 . 1 1 1 A 27 27 SER CA C 27 60.741 62.318 -1.577 1
1 243 . 1 1 1 A 27 27 SER HA H 27 4.159 4.079 0.080 1
1 244 . 1 1 1 A 27 27 SER CB C 27 62.443 63.148 -0.705 1
1 246 . 1 1 1 A 27 27 SER C C 27 176.287 175.572 0.715 1
1 248 . 1 1 1 A 28 28 LEU N N 28 123.878 122.256 1.622 1
1 249 . 1 1 1 A 28 28 LEU H H 28 6.955 7.653 -0.698 1
1 250 . 1 1 1 A 28 28 LEU CA C 28 57.843 57.319 0.524 1
1 251 . 1 1 1 A 28 28 LEU HA H 28 3.164 2.540 0.624 1
1 252 . 1 1 1 A 28 28 LEU CB C 28 40.011 41.586 -1.575 1
1 264 . 1 1 1 A 28 28 LEU C C 28 177.222 178.539 -1.317 1
1 266 . 1 1 1 A 29 29 THR N N 29 116.142 114.459 1.683 1
1 267 . 1 1 1 A 29 29 THR H H 29 8.071 8.124 -0.053 1
1 268 . 1 1 1 A 29 29 THR CA C 29 66.739 66.443 0.296 1
1 269 . 1 1 1 A 29 29 THR HA H 29 3.894 3.783 0.111 1
1 270 . 1 1 1 A 29 29 THR CB C 29 68.480 68.376 0.104 1
1 276 . 1 1 1 A 29 29 THR C C 29 176.872 176.378 0.494 1
1 277 . 1 1 1 A 30 30 VAL N N 30 119.927 120.102 -0.175 1
1 278 . 1 1 1 A 30 30 VAL H H 30 7.466 7.874 -0.408 1
1 279 . 1 1 1 A 30 30 VAL CA C 30 66.507 64.677 1.830 1
1 280 . 1 1 1 A 30 30 VAL HA H 30 3.515 3.793 -0.278 1
1 281 . 1 1 1 A 30 30 VAL CB C 30 32.190 31.460 0.730 1
1 291 . 1 1 1 A 30 30 VAL C C 30 178.591 177.095 1.496 1
1 292 . 1 1 1 A 31 31 HIS N N 31 120.154 121.476 -1.322 1
1 293 . 1 1 1 A 31 31 HIS H H 31 7.526 7.748 -0.222 1
1 294 . 1 1 1 A 31 31 HIS CA C 31 59.359 58.553 0.806 1
1 295 . 1 1 1 A 31 31 HIS HA H 31 4.162 4.171 -0.009 1
1 296 . 1 1 1 A 31 31 HIS CB C 31 28.537 30.110 -1.573 1
1 302 . 1 1 1 A 31 31 HIS C C 31 176.216 177.018 -0.802 1
1 304 . 1 1 1 A 32 32 GLN N N 32 114.689 118.863 -4.174 1
1 305 . 1 1 1 A 32 32 GLN H H 32 8.372 8.553 -0.181 1
1 306 . 1 1 1 A 32 32 GLN CA C 32 59.351 58.745 0.606 1
1 307 . 1 1 1 A 32 32 GLN HA H 32 3.669 3.737 -0.068 1
1 308 . 1 1 1 A 32 32 GLN CB C 32 28.390 28.667 -0.277 1
1 315 . 1 1 1 A 32 32 GLN C C 32 177.432 177.464 -0.032 1
1 318 . 1 1 1 A 33 33 ARG N N 33 117.675 118.561 -0.886 1
1 319 . 1 1 1 A 33 33 ARG H H 33 7.199 7.631 -0.432 1
1 320 . 1 1 1 A 33 33 ARG CA C 33 58.529 59.072 -0.543 1
1 321 . 1 1 1 A 33 33 ARG HA H 33 4.128 4.127 0.001 1
1 322 . 1 1 1 A 33 33 ARG CB C 33 30.081 29.958 0.123 1
1 328 . 1 1 1 A 33 33 ARG C C 33 178.711 178.675 0.036 1
1 332 . 1 1 1 A 34 34 ILE N N 34 116.218 120.283 -4.065 1
1 333 . 1 1 1 A 34 34 ILE H H 34 7.863 7.853 0.010 1
1 334 . 1 1 1 A 34 34 ILE CA C 34 63.114 65.369 -2.255 1
1 335 . 1 1 1 A 34 34 ILE HA H 34 3.948 3.533 0.415 1
1 336 . 1 1 1 A 34 34 ILE CB C 34 37.777 37.975 -0.198 1
1 348 . 1 1 1 A 34 34 ILE C C 34 177.391 177.821 -0.430 1
1 350 . 1 1 1 A 35 35 HIS N N 35 117.652 118.673 -1.021 1
1 351 . 1 1 1 A 35 35 HIS H H 35 7.196 7.329 -0.133 1
1 352 . 1 1 1 A 35 35 HIS CA C 35 55.169 60.088 -4.919 1
1 353 . 1 1 1 A 35 35 HIS HA H 35 4.838 4.240 0.598 1
1 354 . 1 1 1 A 35 35 HIS CB C 35 28.595 30.555 -1.960 1
1 360 . 1 1 1 A 35 35 HIS C C 35 175.849 176.293 -0.444 1
1 362 . 1 1 1 A 36 36 THR N N 36 111.767 105.928 5.839 1
1 363 . 1 1 1 A 36 36 THR H H 36 7.785 7.866 -0.081 1
1 364 . 1 1 1 A 36 36 THR CA C 36 62.507 60.773 1.734 1
1 365 . 1 1 1 A 36 36 THR HA H 36 4.335 4.391 -0.056 1
1 366 . 1 1 1 A 36 36 THR CB C 36 69.809 69.193 0.616 1
1 372 . 1 1 1 A 36 36 THR C C 36 175.513 175.134 0.379 1
1 373 . 1 1 1 A 37 37 GLY N N 37 110.668 108.872 1.796 1
1 374 . 1 1 1 A 37 37 GLY H H 37 8.239 7.126 1.113 1
1 375 . 1 1 1 A 37 37 GLY CA C 37 45.371 45.696 -0.325 1
1 376 . 1 1 1 A 37 37 GLY HA3 H 37 3.945 4.107 -0.162 1
1 377 . 1 1 1 A 37 37 GLY C C 37 174.036 173.780 0.256 1
1 378 . 1 1 1 A 37 37 GLY HA2 H 37 4.006 4.094 -0.088 1
1 379 . 1 1 1 A 38 38 GLU N N 38 120.549 119.616 0.933 1
1 380 . 1 1 1 A 38 38 GLU H H 38 8.080 7.982 0.098 1
1 381 . 1 1 1 A 38 38 GLU CA C 38 56.482 54.935 1.547 1
1 382 . 1 1 1 A 38 38 GLU HA H 38 4.228 4.657 -0.429 1
1 383 . 1 1 1 A 38 38 GLU CB C 38 30.588 31.249 -0.661 1
1 387 . 1 1 1 A 38 38 GLU C C 38 176.186 176.297 -0.111 1
1 390 . 1 1 1 A 39 39 LYS N N 39 123.911 121.996 1.915 1
1 391 . 1 1 1 A 39 39 LYS H H 39 8.412 8.243 0.169 1
1 392 . 1 1 1 A 39 39 LYS CA C 39 54.143 55.448 -1.305 1
1 393 . 1 1 1 A 39 39 LYS HA H 39 4.596 4.259 0.337 1
1 394 . 1 1 1 A 39 39 LYS CB C 39 32.571 32.543 0.028 1
1 402 . 1 1 1 A 39 39 LYS C C 39 174.511 175.964 -1.453 1
1 407 . 1 1 1 A 40 40 PRO CA C 40 63.232 62.235 0.997 1
1 408 . 1 1 1 A 40 40 PRO HA H 40 4.447 4.674 -0.227 1
1 409 . 1 1 1 A 40 40 PRO CB C 40 32.194 29.934 2.260 1
1 1 . 2 1 1 A 7 7 GLY CA C 7 45.432 45.709 -0.277 1
1 2 . 2 1 1 A 7 7 GLY C C 7 174.065 173.574 0.491 1
1 3 . 2 1 1 A 8 8 ALA N N 8 123.769 121.647 2.122 1
1 4 . 2 1 1 A 8 8 ALA H H 8 8.183 7.936 0.247 1
1 5 . 2 1 1 A 8 8 ALA CA C 8 52.778 50.980 1.798 1
1 6 . 2 1 1 A 8 8 ALA HA H 8 4.313 4.544 -0.231 1
1 7 . 2 1 1 A 8 8 ALA CB C 8 19.382 19.351 0.031 1
1 11 . 2 1 1 A 8 8 ALA C C 8 178.301 176.068 2.233 1
1 12 . 2 1 1 A 9 9 GLY N N 9 108.153 110.403 -2.250 1
1 13 . 2 1 1 A 9 9 GLY H H 9 8.410 8.456 -0.046 1
1 14 . 2 1 1 A 9 9 GLY CA C 9 45.309 44.345 0.964 1
1 15 . 2 1 1 A 9 9 GLY HA3 H 9 3.926 4.466 -0.540 1
1 16 . 2 1 1 A 9 9 GLY C C 9 174.030 173.344 0.686 1
1 17 . 2 1 1 A 9 9 GLY HA2 H 9 3.926 4.465 -0.539 1
1 18 . 2 1 1 A 10 10 LYS N N 10 120.547 118.428 2.119 1
1 19 . 2 1 1 A 10 10 LYS H H 10 8.067 8.417 -0.350 1
1 20 . 2 1 1 A 10 10 LYS CA C 10 56.267 56.844 -0.577 1
1 21 . 2 1 1 A 10 10 LYS HA H 10 4.277 4.531 -0.254 1
1 22 . 2 1 1 A 10 10 LYS CB C 10 33.167 34.510 -1.343 1
1 30 . 2 1 1 A 10 10 LYS C C 10 176.363 176.565 -0.202 1
1 35 . 2 1 1 A 11 11 LYS N N 11 122.689 120.252 2.437 1
1 36 . 2 1 1 A 11 11 LYS H H 11 8.290 7.496 0.794 1
1 37 . 2 1 1 A 11 11 LYS CA C 11 56.098 56.896 -0.798 1
1 38 . 2 1 1 A 11 11 LYS HA H 11 4.180 4.019 0.161 1
1 39 . 2 1 1 A 11 11 LYS CB C 11 32.953 33.309 -0.356 1
1 46 . 2 1 1 A 11 11 LYS C C 11 175.249 175.995 -0.746 1
1 51 . 2 1 1 A 12 12 LEU N N 12 121.792 122.213 -0.421 1
1 52 . 2 1 1 A 12 12 LEU H H 12 7.790 8.538 -0.748 1
1 53 . 2 1 1 A 12 12 LEU CA C 12 54.202 54.549 -0.347 1
1 54 . 2 1 1 A 12 12 LEU HA H 12 4.419 4.454 -0.035 1
1 55 . 2 1 1 A 12 12 LEU CB C 12 44.011 43.868 0.143 1
1 67 . 2 1 1 A 12 12 LEU C C 12 176.086 176.611 -0.525 1
1 69 . 2 1 1 A 13 13 PHE N N 13 121.077 118.376 2.701 1
1 70 . 2 1 1 A 13 13 PHE H H 13 8.628 7.623 1.005 1
1 71 . 2 1 1 A 13 13 PHE CA C 13 57.309 56.672 0.637 1
1 72 . 2 1 1 A 13 13 PHE HA H 13 4.578 5.312 -0.734 1
1 73 . 2 1 1 A 13 13 PHE CB C 13 40.107 41.544 -1.437 1
1 85 . 2 1 1 A 13 13 PHE C C 13 174.502 175.108 -0.606 1
1 87 . 2 1 1 A 14 14 LYS N N 14 124.720 120.228 4.492 1
1 88 . 2 1 1 A 14 14 LYS H H 14 8.757 9.160 -0.403 1
1 89 . 2 1 1 A 14 14 LYS CA C 14 55.088 54.545 0.543 1
1 90 . 2 1 1 A 14 14 LYS HA H 14 4.866 5.170 -0.304 1
1 91 . 2 1 1 A 14 14 LYS CB C 14 35.570 36.132 -0.562 1
1 99 . 2 1 1 A 14 14 LYS C C 14 174.832 174.670 0.162 1
1 104 . 2 1 1 A 15 15 CYS N N 15 127.003 121.312 5.691 1
1 105 . 2 1 1 A 15 15 CYS H H 15 8.884 9.096 -0.212 1
1 106 . 2 1 1 A 15 15 CYS CA C 15 59.640 57.463 2.177 1
1 107 . 2 1 1 A 15 15 CYS HA H 15 4.497 4.962 -0.465 1
1 108 . 2 1 1 A 15 15 CYS CB C 15 29.562 30.298 -0.736 1
1 110 . 2 1 1 A 15 15 CYS C C 15 176.310 175.824 0.486 1
1 112 . 2 1 1 A 16 16 ASN N N 16 128.404 126.740 1.664 1
1 113 . 2 1 1 A 16 16 ASN H H 16 9.250 9.206 0.044 1
1 114 . 2 1 1 A 16 16 ASN CA C 16 55.576 53.579 1.997 1
1 115 . 2 1 1 A 16 16 ASN HA H 16 4.554 4.911 -0.357 1
1 116 . 2 1 1 A 16 16 ASN CB C 16 38.591 38.900 -0.309 1
1 121 . 2 1 1 A 16 16 ASN C C 16 175.713 175.533 0.180 1
1 123 . 2 1 1 A 17 17 GLU N N 17 120.824 117.462 3.362 1
1 124 . 2 1 1 A 17 17 GLU H H 17 8.813 7.885 0.928 1
1 125 . 2 1 1 A 17 17 GLU CA C 17 58.125 56.933 1.192 1
1 126 . 2 1 1 A 17 17 GLU HA H 17 4.242 4.461 -0.219 1
1 127 . 2 1 1 A 17 17 GLU CB C 17 29.807 31.654 -1.847 1
1 131 . 2 1 1 A 17 17 GLU C C 17 176.504 177.668 -1.164 1
1 134 . 2 1 1 A 18 18 CYS N N 18 116.605 114.457 2.148 1
1 135 . 2 1 1 A 18 18 CYS H H 18 7.948 7.880 0.068 1
1 136 . 2 1 1 A 18 18 CYS CA C 18 58.408 57.862 0.546 1
1 137 . 2 1 1 A 18 18 CYS HA H 18 5.061 4.623 0.438 1
1 138 . 2 1 1 A 18 18 CYS CB C 18 31.357 28.131 3.226 1
1 140 . 2 1 1 A 18 18 CYS C C 18 175.034 174.569 0.465 1
1 142 . 2 1 1 A 19 19 LYS N N 19 115.996 115.714 0.282 1
1 143 . 2 1 1 A 19 19 LYS H H 19 8.013 7.595 0.418 1
1 144 . 2 1 1 A 19 19 LYS CA C 19 57.801 57.266 0.535 1
1 145 . 2 1 1 A 19 19 LYS HA H 19 4.131 3.986 0.145 1
1 146 . 2 1 1 A 19 19 LYS CB C 19 29.728 29.891 -0.163 1
1 153 . 2 1 1 A 19 19 LYS C C 19 175.710 174.811 0.899 1
1 158 . 2 1 1 A 20 20 LYS N N 20 122.163 118.573 3.590 1
1 159 . 2 1 1 A 20 20 LYS H H 20 8.056 7.779 0.277 1
1 160 . 2 1 1 A 20 20 LYS CA C 20 58.153 54.604 3.549 1
1 161 . 2 1 1 A 20 20 LYS HA H 20 4.068 4.901 -0.833 1
1 162 . 2 1 1 A 20 20 LYS CB C 20 33.850 36.151 -2.301 1
1 170 . 2 1 1 A 20 20 LYS C C 20 175.054 175.068 -0.014 1
1 175 . 2 1 1 A 21 21 THR N N 21 111.093 113.464 -2.371 1
1 176 . 2 1 1 A 21 21 THR H H 21 7.640 8.454 -0.814 1
1 177 . 2 1 1 A 21 21 THR CA C 21 59.789 59.352 0.437 1
1 178 . 2 1 1 A 21 21 THR HA H 21 5.059 5.225 -0.166 1
1 179 . 2 1 1 A 21 21 THR CB C 21 71.613 72.693 -1.080 1
1 185 . 2 1 1 A 21 21 THR C C 21 173.193 173.236 -0.043 1
1 186 . 2 1 1 A 22 22 PHE N N 22 117.679 118.002 -0.323 1
1 187 . 2 1 1 A 22 22 PHE H H 22 8.794 8.693 0.101 1
1 188 . 2 1 1 A 22 22 PHE CA C 22 56.872 56.825 0.047 1
1 189 . 2 1 1 A 22 22 PHE HA H 22 4.857 4.907 -0.050 1
1 190 . 2 1 1 A 22 22 PHE CB C 22 43.851 42.429 1.422 1
1 202 . 2 1 1 A 22 22 PHE C C 22 175.647 176.082 -0.435 1
1 204 . 2 1 1 A 23 23 THR N N 23 111.367 118.196 -6.829 1
1 205 . 2 1 1 A 23 23 THR H H 23 8.994 8.743 0.251 1
1 206 . 2 1 1 A 23 23 THR CA C 23 62.862 66.621 -3.759 1
1 207 . 2 1 1 A 23 23 THR HA H 23 4.704 3.969 0.735 1
1 208 . 2 1 1 A 23 23 THR CB C 23 69.427 68.791 0.636 1
1 214 . 2 1 1 A 23 23 THR C C 23 174.807 175.064 -0.257 1
1 215 . 2 1 1 A 24 24 GLN N N 24 116.885 119.376 -2.491 1
1 216 . 2 1 1 A 24 24 GLN H H 24 7.420 8.161 -0.741 1
1 217 . 2 1 1 A 24 24 GLN CA C 24 54.233 54.351 -0.118 1
1 218 . 2 1 1 A 24 24 GLN HA H 24 4.695 5.019 -0.324 1
1 219 . 2 1 1 A 24 24 GLN CB C 24 32.047 31.477 0.570 1
1 226 . 2 1 1 A 24 24 GLN C C 24 175.738 176.291 -0.553 1
1 229 . 2 1 1 A 25 25 SER CA C 25 60.953 60.693 0.260 1
1 230 . 2 1 1 A 25 25 SER HA H 25 3.007 3.639 -0.632 1
1 231 . 2 1 1 A 25 25 SER CB C 25 61.858 62.093 -0.235 1
1 234 . 2 1 1 A 26 26 SER CA C 26 60.852 61.470 -0.618 1
1 235 . 2 1 1 A 26 26 SER HA H 26 4.030 4.162 -0.132 1
1 236 . 2 1 1 A 26 26 SER CB C 26 61.476 62.542 -1.066 1
1 238 . 2 1 1 A 26 26 SER C C 26 176.745 177.006 -0.261 1
1 240 . 2 1 1 A 27 27 SER N N 27 116.833 116.280 0.553 1
1 241 . 2 1 1 A 27 27 SER H H 27 6.854 7.925 -1.071 1
1 242 . 2 1 1 A 27 27 SER CA C 27 60.741 62.092 -1.351 1
1 243 . 2 1 1 A 27 27 SER HA H 27 4.159 3.901 0.258 1
1 244 . 2 1 1 A 27 27 SER CB C 27 62.443 62.649 -0.206 1
1 246 . 2 1 1 A 27 27 SER C C 27 176.287 175.666 0.621 1
1 248 . 2 1 1 A 28 28 LEU N N 28 123.878 122.765 1.113 1
1 249 . 2 1 1 A 28 28 LEU H H 28 6.955 8.021 -1.066 1
1 250 . 2 1 1 A 28 28 LEU CA C 28 57.843 58.017 -0.174 1
1 251 . 2 1 1 A 28 28 LEU HA H 28 3.164 3.905 -0.741 1
1 252 . 2 1 1 A 28 28 LEU CB C 28 40.011 41.767 -1.756 1
1 264 . 2 1 1 A 28 28 LEU C C 28 177.222 178.654 -1.432 1
1 266 . 2 1 1 A 29 29 THR N N 29 116.142 114.385 1.757 1
1 267 . 2 1 1 A 29 29 THR H H 29 8.071 7.910 0.161 1
1 268 . 2 1 1 A 29 29 THR CA C 29 66.739 66.752 -0.013 1
1 269 . 2 1 1 A 29 29 THR HA H 29 3.894 3.902 -0.008 1
1 270 . 2 1 1 A 29 29 THR CB C 29 68.480 68.514 -0.034 1
1 276 . 2 1 1 A 29 29 THR C C 29 176.872 176.316 0.556 1
1 277 . 2 1 1 A 30 30 VAL N N 30 119.927 120.336 -0.409 1
1 278 . 2 1 1 A 30 30 VAL H H 30 7.466 8.121 -0.655 1
1 279 . 2 1 1 A 30 30 VAL CA C 30 66.507 64.484 2.023 1
1 280 . 2 1 1 A 30 30 VAL HA H 30 3.515 3.782 -0.267 1
1 281 . 2 1 1 A 30 30 VAL CB C 30 32.190 31.375 0.815 1
1 291 . 2 1 1 A 30 30 VAL C C 30 178.591 177.035 1.556 1
1 292 . 2 1 1 A 31 31 HIS N N 31 120.154 121.074 -0.920 1
1 293 . 2 1 1 A 31 31 HIS H H 31 7.526 7.462 0.064 1
1 294 . 2 1 1 A 31 31 HIS CA C 31 59.359 58.590 0.769 1
1 295 . 2 1 1 A 31 31 HIS HA H 31 4.162 4.162 0.000 1
1 296 . 2 1 1 A 31 31 HIS CB C 31 28.537 30.052 -1.515 1
1 302 . 2 1 1 A 31 31 HIS C C 31 176.216 176.854 -0.638 1
1 304 . 2 1 1 A 32 32 GLN N N 32 114.689 118.864 -4.175 1
1 305 . 2 1 1 A 32 32 GLN H H 32 8.372 8.769 -0.397 1
1 306 . 2 1 1 A 32 32 GLN CA C 32 59.351 58.673 0.678 1
1 307 . 2 1 1 A 32 32 GLN HA H 32 3.669 3.671 -0.002 1
1 308 . 2 1 1 A 32 32 GLN CB C 32 28.390 28.726 -0.336 1
1 315 . 2 1 1 A 32 32 GLN C C 32 177.432 178.347 -0.915 1
1 318 . 2 1 1 A 33 33 ARG N N 33 117.675 117.226 0.449 1
1 319 . 2 1 1 A 33 33 ARG H H 33 7.199 8.006 -0.807 1
1 320 . 2 1 1 A 33 33 ARG CA C 33 58.529 58.468 0.061 1
1 321 . 2 1 1 A 33 33 ARG HA H 33 4.128 4.168 -0.040 1
1 322 . 2 1 1 A 33 33 ARG CB C 33 30.081 29.380 0.701 1
1 328 . 2 1 1 A 33 33 ARG C C 33 178.711 178.052 0.659 1
1 332 . 2 1 1 A 34 34 ILE N N 34 116.218 121.369 -5.151 1
1 333 . 2 1 1 A 34 34 ILE H H 34 7.863 7.656 0.207 1
1 334 . 2 1 1 A 34 34 ILE CA C 34 63.114 64.640 -1.526 1
1 335 . 2 1 1 A 34 34 ILE HA H 34 3.948 3.645 0.303 1
1 336 . 2 1 1 A 34 34 ILE CB C 34 37.777 37.635 0.142 1
1 348 . 2 1 1 A 34 34 ILE C C 34 177.391 177.960 -0.569 1
1 350 . 2 1 1 A 35 35 HIS N N 35 117.652 119.076 -1.424 1
1 351 . 2 1 1 A 35 35 HIS H H 35 7.196 7.774 -0.578 1
1 352 . 2 1 1 A 35 35 HIS CA C 35 55.169 60.060 -4.891 1
1 353 . 2 1 1 A 35 35 HIS HA H 35 4.838 4.229 0.609 1
1 354 . 2 1 1 A 35 35 HIS CB C 35 28.595 29.856 -1.261 1
1 360 . 2 1 1 A 35 35 HIS C C 35 175.849 178.291 -2.442 1
1 362 . 2 1 1 A 36 36 THR N N 36 111.767 113.414 -1.647 1
1 363 . 2 1 1 A 36 36 THR H H 36 7.785 8.158 -0.373 1
1 364 . 2 1 1 A 36 36 THR CA C 36 62.507 65.403 -2.896 1
1 365 . 2 1 1 A 36 36 THR HA H 36 4.335 3.982 0.353 1
1 366 . 2 1 1 A 36 36 THR CB C 36 69.809 67.974 1.835 1
1 372 . 2 1 1 A 36 36 THR C C 36 175.513 177.300 -1.787 1
1 373 . 2 1 1 A 37 37 GLY N N 37 110.668 110.147 0.521 1
1 374 . 2 1 1 A 37 37 GLY H H 37 8.239 8.205 0.034 1
1 375 . 2 1 1 A 37 37 GLY CA C 37 45.371 47.324 -1.953 1
1 376 . 2 1 1 A 37 37 GLY HA3 H 37 3.945 3.792 0.153 1
1 377 . 2 1 1 A 37 37 GLY C C 37 174.036 174.756 -0.720 1
1 378 . 2 1 1 A 37 37 GLY HA2 H 37 4.006 3.780 0.226 1
1 379 . 2 1 1 A 38 38 GLU N N 38 120.549 119.019 1.530 1
1 380 . 2 1 1 A 38 38 GLU H H 38 8.080 8.124 -0.044 1
1 381 . 2 1 1 A 38 38 GLU CA C 38 56.482 55.953 0.529 1
1 382 . 2 1 1 A 38 38 GLU HA H 38 4.228 4.537 -0.309 1
1 383 . 2 1 1 A 38 38 GLU CB C 38 30.588 31.096 -0.508 1
1 387 . 2 1 1 A 38 38 GLU C C 38 176.186 175.815 0.371 1
1 390 . 2 1 1 A 39 39 LYS N N 39 123.911 119.953 3.958 1
1 391 . 2 1 1 A 39 39 LYS H H 39 8.412 8.562 -0.150 1
1 392 . 2 1 1 A 39 39 LYS CA C 39 54.143 53.705 0.438 1
1 393 . 2 1 1 A 39 39 LYS HA H 39 4.596 4.801 -0.205 1
1 394 . 2 1 1 A 39 39 LYS CB C 39 32.571 34.034 -1.463 1
1 402 . 2 1 1 A 39 39 LYS C C 39 174.511 174.634 -0.123 1
1 407 . 2 1 1 A 40 40 PRO CA C 40 63.232 62.727 0.505 1
1 408 . 2 1 1 A 40 40 PRO HA H 40 4.447 4.734 -0.287 1
1 409 . 2 1 1 A 40 40 PRO CB C 40 32.194 31.243 0.951 1
1 1 . 3 1 1 A 7 7 GLY CA C 7 45.432 46.371 -0.939 1
1 2 . 3 1 1 A 7 7 GLY C C 7 174.065 173.081 0.984 1
1 3 . 3 1 1 A 8 8 ALA N N 8 123.769 125.819 -2.050 1
1 4 . 3 1 1 A 8 8 ALA H H 8 8.183 7.890 0.293 1
1 5 . 3 1 1 A 8 8 ALA CA C 8 52.778 51.605 1.173 1
1 6 . 3 1 1 A 8 8 ALA HA H 8 4.313 4.864 -0.551 1
1 7 . 3 1 1 A 8 8 ALA CB C 8 19.382 22.825 -3.443 1
1 11 . 3 1 1 A 8 8 ALA C C 8 178.301 176.077 2.224 1
1 12 . 3 1 1 A 9 9 GLY N N 9 108.153 109.720 -1.567 1
1 13 . 3 1 1 A 9 9 GLY H H 9 8.410 8.695 -0.285 1
1 14 . 3 1 1 A 9 9 GLY CA C 9 45.309 45.816 -0.507 1
1 15 . 3 1 1 A 9 9 GLY HA3 H 9 3.926 4.010 -0.084 1
1 16 . 3 1 1 A 9 9 GLY C C 9 174.030 175.143 -1.113 1
1 17 . 3 1 1 A 9 9 GLY HA2 H 9 3.926 4.007 -0.081 1
1 18 . 3 1 1 A 10 10 LYS N N 10 120.547 121.179 -0.632 1
1 19 . 3 1 1 A 10 10 LYS H H 10 8.067 8.622 -0.555 1
1 20 . 3 1 1 A 10 10 LYS CA C 10 56.267 57.880 -1.613 1
1 21 . 3 1 1 A 10 10 LYS HA H 10 4.277 4.365 -0.088 1
1 22 . 3 1 1 A 10 10 LYS CB C 10 33.167 33.628 -0.461 1
1 30 . 3 1 1 A 10 10 LYS C C 10 176.363 176.457 -0.094 1
1 35 . 3 1 1 A 11 11 LYS N N 11 122.689 120.118 2.571 1
1 36 . 3 1 1 A 11 11 LYS H H 11 8.290 7.466 0.824 1
1 37 . 3 1 1 A 11 11 LYS CA C 11 56.098 56.755 -0.657 1
1 38 . 3 1 1 A 11 11 LYS HA H 11 4.180 4.038 0.142 1
1 39 . 3 1 1 A 11 11 LYS CB C 11 32.953 33.269 -0.316 1
1 46 . 3 1 1 A 11 11 LYS C C 11 175.249 176.006 -0.757 1
1 51 . 3 1 1 A 12 12 LEU N N 12 121.792 121.577 0.215 1
1 52 . 3 1 1 A 12 12 LEU H H 12 7.790 8.490 -0.700 1
1 53 . 3 1 1 A 12 12 LEU CA C 12 54.202 54.546 -0.344 1
1 54 . 3 1 1 A 12 12 LEU HA H 12 4.419 4.475 -0.056 1
1 55 . 3 1 1 A 12 12 LEU CB C 12 44.011 43.856 0.155 1
1 67 . 3 1 1 A 12 12 LEU C C 12 176.086 176.542 -0.456 1
1 69 . 3 1 1 A 13 13 PHE N N 13 121.077 118.597 2.480 1
1 70 . 3 1 1 A 13 13 PHE H H 13 8.628 7.652 0.976 1
1 71 . 3 1 1 A 13 13 PHE CA C 13 57.309 56.607 0.702 1
1 72 . 3 1 1 A 13 13 PHE HA H 13 4.578 5.299 -0.721 1
1 73 . 3 1 1 A 13 13 PHE CB C 13 40.107 41.382 -1.275 1
1 85 . 3 1 1 A 13 13 PHE C C 13 174.502 174.989 -0.487 1
1 87 . 3 1 1 A 14 14 LYS N N 14 124.720 120.468 4.252 1
1 88 . 3 1 1 A 14 14 LYS H H 14 8.757 9.150 -0.393 1
1 89 . 3 1 1 A 14 14 LYS CA C 14 55.088 54.533 0.555 1
1 90 . 3 1 1 A 14 14 LYS HA H 14 4.866 5.317 -0.451 1
1 91 . 3 1 1 A 14 14 LYS CB C 14 35.570 36.227 -0.657 1
1 99 . 3 1 1 A 14 14 LYS C C 14 174.832 174.730 0.102 1
1 104 . 3 1 1 A 15 15 CYS N N 15 127.003 121.854 5.149 1
1 105 . 3 1 1 A 15 15 CYS H H 15 8.884 9.108 -0.224 1
1 106 . 3 1 1 A 15 15 CYS CA C 15 59.640 57.607 2.033 1
1 107 . 3 1 1 A 15 15 CYS HA H 15 4.497 4.929 -0.432 1
1 108 . 3 1 1 A 15 15 CYS CB C 15 29.562 30.257 -0.695 1
1 110 . 3 1 1 A 15 15 CYS C C 15 176.310 175.548 0.762 1
1 112 . 3 1 1 A 16 16 ASN N N 16 128.404 126.473 1.931 1
1 113 . 3 1 1 A 16 16 ASN H H 16 9.250 9.156 0.094 1
1 114 . 3 1 1 A 16 16 ASN CA C 16 55.576 52.419 3.157 1
1 115 . 3 1 1 A 16 16 ASN HA H 16 4.554 4.909 -0.355 1
1 116 . 3 1 1 A 16 16 ASN CB C 16 38.591 37.493 1.098 1
1 121 . 3 1 1 A 16 16 ASN C C 16 175.713 176.168 -0.455 1
1 123 . 3 1 1 A 17 17 GLU N N 17 120.824 120.124 0.700 1
1 124 . 3 1 1 A 17 17 GLU H H 17 8.813 8.032 0.781 1
1 125 . 3 1 1 A 17 17 GLU CA C 17 58.125 56.943 1.182 1
1 126 . 3 1 1 A 17 17 GLU HA H 17 4.242 4.455 -0.213 1
1 127 . 3 1 1 A 17 17 GLU CB C 17 29.807 32.424 -2.617 1
1 131 . 3 1 1 A 17 17 GLU C C 17 176.504 177.612 -1.108 1
1 134 . 3 1 1 A 18 18 CYS N N 18 116.605 114.588 2.017 1
1 135 . 3 1 1 A 18 18 CYS H H 18 7.948 7.895 0.053 1
1 136 . 3 1 1 A 18 18 CYS CA C 18 58.408 57.931 0.477 1
1 137 . 3 1 1 A 18 18 CYS HA H 18 5.061 4.634 0.427 1
1 138 . 3 1 1 A 18 18 CYS CB C 18 31.357 28.707 2.650 1
1 140 . 3 1 1 A 18 18 CYS C C 18 175.034 174.597 0.437 1
1 142 . 3 1 1 A 19 19 LYS N N 19 115.996 115.684 0.312 1
1 143 . 3 1 1 A 19 19 LYS H H 19 8.013 7.648 0.365 1
1 144 . 3 1 1 A 19 19 LYS CA C 19 57.801 57.275 0.526 1
1 145 . 3 1 1 A 19 19 LYS HA H 19 4.131 3.882 0.249 1
1 146 . 3 1 1 A 19 19 LYS CB C 19 29.728 29.732 -0.004 1
1 153 . 3 1 1 A 19 19 LYS C C 19 175.710 174.694 1.016 1
1 158 . 3 1 1 A 20 20 LYS N N 20 122.163 118.786 3.377 1
1 159 . 3 1 1 A 20 20 LYS H H 20 8.056 7.742 0.314 1
1 160 . 3 1 1 A 20 20 LYS CA C 20 58.153 54.780 3.373 1
1 161 . 3 1 1 A 20 20 LYS HA H 20 4.068 4.769 -0.701 1
1 162 . 3 1 1 A 20 20 LYS CB C 20 33.850 35.427 -1.577 1
1 170 . 3 1 1 A 20 20 LYS C C 20 175.054 175.284 -0.230 1
1 175 . 3 1 1 A 21 21 THR N N 21 111.093 113.948 -2.855 1
1 176 . 3 1 1 A 21 21 THR H H 21 7.640 8.526 -0.886 1
1 177 . 3 1 1 A 21 21 THR CA C 21 59.789 59.258 0.531 1
1 178 . 3 1 1 A 21 21 THR HA H 21 5.059 5.286 -0.227 1
1 179 . 3 1 1 A 21 21 THR CB C 21 71.613 72.117 -0.504 1
1 185 . 3 1 1 A 21 21 THR C C 21 173.193 173.400 -0.207 1
1 186 . 3 1 1 A 22 22 PHE N N 22 117.679 118.156 -0.477 1
1 187 . 3 1 1 A 22 22 PHE H H 22 8.794 8.836 -0.042 1
1 188 . 3 1 1 A 22 22 PHE CA C 22 56.872 56.743 0.129 1
1 189 . 3 1 1 A 22 22 PHE HA H 22 4.857 4.922 -0.065 1
1 190 . 3 1 1 A 22 22 PHE CB C 22 43.851 42.463 1.388 1
1 202 . 3 1 1 A 22 22 PHE C C 22 175.647 175.939 -0.292 1
1 204 . 3 1 1 A 23 23 THR N N 23 111.367 118.570 -7.203 1
1 205 . 3 1 1 A 23 23 THR H H 23 8.994 8.963 0.031 1
1 206 . 3 1 1 A 23 23 THR CA C 23 62.862 65.450 -2.588 1
1 207 . 3 1 1 A 23 23 THR HA H 23 4.704 4.159 0.545 1
1 208 . 3 1 1 A 23 23 THR CB C 23 69.427 69.064 0.363 1
1 214 . 3 1 1 A 23 23 THR C C 23 174.807 173.797 1.010 1
1 215 . 3 1 1 A 24 24 GLN N N 24 116.885 118.139 -1.254 1
1 216 . 3 1 1 A 24 24 GLN H H 24 7.420 7.997 -0.577 1
1 217 . 3 1 1 A 24 24 GLN CA C 24 54.233 54.237 -0.004 1
1 218 . 3 1 1 A 24 24 GLN HA H 24 4.695 4.951 -0.256 1
1 219 . 3 1 1 A 24 24 GLN CB C 24 32.047 32.015 0.032 1
1 226 . 3 1 1 A 24 24 GLN C C 24 175.738 176.085 -0.347 1
1 229 . 3 1 1 A 25 25 SER CA C 25 60.953 61.031 -0.078 1
1 230 . 3 1 1 A 25 25 SER HA H 25 3.007 3.362 -0.355 1
1 231 . 3 1 1 A 25 25 SER CB C 25 61.858 61.648 0.210 1
1 234 . 3 1 1 A 26 26 SER CA C 26 60.852 61.650 -0.798 1
1 235 . 3 1 1 A 26 26 SER HA H 26 4.030 3.997 0.033 1
1 236 . 3 1 1 A 26 26 SER CB C 26 61.476 62.960 -1.484 1
1 238 . 3 1 1 A 26 26 SER C C 26 176.745 176.236 0.509 1
1 240 . 3 1 1 A 27 27 SER N N 27 116.833 115.898 0.935 1
1 241 . 3 1 1 A 27 27 SER H H 27 6.854 7.931 -1.077 1
1 242 . 3 1 1 A 27 27 SER CA C 27 60.741 61.217 -0.476 1
1 243 . 3 1 1 A 27 27 SER HA H 27 4.159 3.974 0.185 1
1 244 . 3 1 1 A 27 27 SER CB C 27 62.443 62.842 -0.399 1
1 246 . 3 1 1 A 27 27 SER C C 27 176.287 176.585 -0.298 1
1 248 . 3 1 1 A 28 28 LEU N N 28 123.878 122.568 1.310 1
1 249 . 3 1 1 A 28 28 LEU H H 28 6.955 7.655 -0.700 1
1 250 . 3 1 1 A 28 28 LEU CA C 28 57.843 57.688 0.155 1
1 251 . 3 1 1 A 28 28 LEU HA H 28 3.164 3.485 -0.321 1
1 252 . 3 1 1 A 28 28 LEU CB C 28 40.011 41.619 -1.608 1
1 264 . 3 1 1 A 28 28 LEU C C 28 177.222 178.699 -1.477 1
1 266 . 3 1 1 A 29 29 THR N N 29 116.142 114.447 1.695 1
1 267 . 3 1 1 A 29 29 THR H H 29 8.071 7.723 0.348 1
1 268 . 3 1 1 A 29 29 THR CA C 29 66.739 66.634 0.105 1
1 269 . 3 1 1 A 29 29 THR HA H 29 3.894 3.835 0.059 1
1 270 . 3 1 1 A 29 29 THR CB C 29 68.480 68.383 0.097 1
1 276 . 3 1 1 A 29 29 THR C C 29 176.872 176.307 0.565 1
1 277 . 3 1 1 A 30 30 VAL N N 30 119.927 120.100 -0.173 1
1 278 . 3 1 1 A 30 30 VAL H H 30 7.466 7.823 -0.357 1
1 279 . 3 1 1 A 30 30 VAL CA C 30 66.507 64.614 1.893 1
1 280 . 3 1 1 A 30 30 VAL HA H 30 3.515 3.791 -0.276 1
1 281 . 3 1 1 A 30 30 VAL CB C 30 32.190 31.211 0.979 1
1 291 . 3 1 1 A 30 30 VAL C C 30 178.591 177.115 1.476 1
1 292 . 3 1 1 A 31 31 HIS N N 31 120.154 121.300 -1.146 1
1 293 . 3 1 1 A 31 31 HIS H H 31 7.526 7.755 -0.229 1
1 294 . 3 1 1 A 31 31 HIS CA C 31 59.359 58.691 0.668 1
1 295 . 3 1 1 A 31 31 HIS HA H 31 4.162 4.172 -0.010 1
1 296 . 3 1 1 A 31 31 HIS CB C 31 28.537 29.897 -1.360 1
1 302 . 3 1 1 A 31 31 HIS C C 31 176.216 177.054 -0.838 1
1 304 . 3 1 1 A 32 32 GLN N N 32 114.689 118.859 -4.170 1
1 305 . 3 1 1 A 32 32 GLN H H 32 8.372 8.729 -0.357 1
1 306 . 3 1 1 A 32 32 GLN CA C 32 59.351 58.770 0.581 1
1 307 . 3 1 1 A 32 32 GLN HA H 32 3.669 3.962 -0.293 1
1 308 . 3 1 1 A 32 32 GLN CB C 32 28.390 28.678 -0.288 1
1 315 . 3 1 1 A 32 32 GLN C C 32 177.432 177.824 -0.392 1
1 318 . 3 1 1 A 33 33 ARG N N 33 117.675 118.157 -0.482 1
1 319 . 3 1 1 A 33 33 ARG H H 33 7.199 7.510 -0.311 1
1 320 . 3 1 1 A 33 33 ARG CA C 33 58.529 59.006 -0.477 1
1 321 . 3 1 1 A 33 33 ARG HA H 33 4.128 4.376 -0.248 1
1 322 . 3 1 1 A 33 33 ARG CB C 33 30.081 29.879 0.202 1
1 328 . 3 1 1 A 33 33 ARG C C 33 178.711 178.317 0.394 1
1 332 . 3 1 1 A 34 34 ILE N N 34 116.218 120.243 -4.025 1
1 333 . 3 1 1 A 34 34 ILE H H 34 7.863 7.650 0.213 1
1 334 . 3 1 1 A 34 34 ILE CA C 34 63.114 65.105 -1.991 1
1 335 . 3 1 1 A 34 34 ILE HA H 34 3.948 3.513 0.435 1
1 336 . 3 1 1 A 34 34 ILE CB C 34 37.777 37.429 0.348 1
1 348 . 3 1 1 A 34 34 ILE C C 34 177.391 177.734 -0.343 1
1 350 . 3 1 1 A 35 35 HIS N N 35 117.652 118.453 -0.801 1
1 351 . 3 1 1 A 35 35 HIS H H 35 7.196 7.281 -0.085 1
1 352 . 3 1 1 A 35 35 HIS CA C 35 55.169 59.817 -4.648 1
1 353 . 3 1 1 A 35 35 HIS HA H 35 4.838 4.215 0.623 1
1 354 . 3 1 1 A 35 35 HIS CB C 35 28.595 30.789 -2.194 1
1 360 . 3 1 1 A 35 35 HIS C C 35 175.849 176.102 -0.253 1
1 362 . 3 1 1 A 36 36 THR N N 36 111.767 108.055 3.712 1
1 363 . 3 1 1 A 36 36 THR H H 36 7.785 7.708 0.077 1
1 364 . 3 1 1 A 36 36 THR CA C 36 62.507 61.302 1.205 1
1 365 . 3 1 1 A 36 36 THR HA H 36 4.335 4.389 -0.054 1
1 366 . 3 1 1 A 36 36 THR CB C 36 69.809 69.083 0.726 1
1 372 . 3 1 1 A 36 36 THR C C 36 175.513 175.150 0.363 1
1 373 . 3 1 1 A 37 37 GLY N N 37 110.668 108.831 1.837 1
1 374 . 3 1 1 A 37 37 GLY H H 37 8.239 7.448 0.791 1
1 375 . 3 1 1 A 37 37 GLY CA C 37 45.371 45.664 -0.293 1
1 376 . 3 1 1 A 37 37 GLY HA3 H 37 3.945 4.090 -0.145 1
1 377 . 3 1 1 A 37 37 GLY C C 37 174.036 173.354 0.682 1
1 378 . 3 1 1 A 37 37 GLY HA2 H 37 4.006 4.078 -0.072 1
1 379 . 3 1 1 A 38 38 GLU N N 38 120.549 119.506 1.043 1
1 380 . 3 1 1 A 38 38 GLU H H 38 8.080 7.941 0.139 1
1 381 . 3 1 1 A 38 38 GLU CA C 38 56.482 54.988 1.494 1
1 382 . 3 1 1 A 38 38 GLU HA H 38 4.228 4.645 -0.417 1
1 383 . 3 1 1 A 38 38 GLU CB C 38 30.588 32.283 -1.695 1
1 387 . 3 1 1 A 38 38 GLU C C 38 176.186 175.450 0.736 1
1 390 . 3 1 1 A 39 39 LYS N N 39 123.911 126.078 -2.167 1
1 391 . 3 1 1 A 39 39 LYS H H 39 8.412 8.559 -0.147 1
1 392 . 3 1 1 A 39 39 LYS CA C 39 54.143 54.846 -0.703 1
1 393 . 3 1 1 A 39 39 LYS HA H 39 4.596 4.193 0.403 1
1 394 . 3 1 1 A 39 39 LYS CB C 39 32.571 33.150 -0.579 1
1 402 . 3 1 1 A 39 39 LYS C C 39 174.511 174.993 -0.482 1
1 407 . 3 1 1 A 40 40 PRO CA C 40 63.232 62.454 0.778 1
1 408 . 3 1 1 A 40 40 PRO HA H 40 4.447 4.609 -0.162 1
1 409 . 3 1 1 A 40 40 PRO CB C 40 32.194 32.580 -0.386 1
1 1 . 4 1 1 A 7 7 GLY CA C 7 45.432 46.949 -1.517 1
1 2 . 4 1 1 A 7 7 GLY C C 7 174.065 175.365 -1.300 1
1 3 . 4 1 1 A 8 8 ALA N N 8 123.769 122.763 1.006 1
1 4 . 4 1 1 A 8 8 ALA H H 8 8.183 8.196 -0.013 1
1 5 . 4 1 1 A 8 8 ALA CA C 8 52.778 53.147 -0.369 1
1 6 . 4 1 1 A 8 8 ALA HA H 8 4.313 4.200 0.113 1
1 7 . 4 1 1 A 8 8 ALA CB C 8 19.382 19.565 -0.183 1
1 11 . 4 1 1 A 8 8 ALA C C 8 178.301 178.493 -0.192 1
1 12 . 4 1 1 A 9 9 GLY N N 9 108.153 107.124 1.029 1
1 13 . 4 1 1 A 9 9 GLY H H 9 8.410 7.888 0.522 1
1 14 . 4 1 1 A 9 9 GLY CA C 9 45.309 47.236 -1.927 1
1 15 . 4 1 1 A 9 9 GLY HA3 H 9 3.926 3.835 0.091 1
1 16 . 4 1 1 A 9 9 GLY C C 9 174.030 174.889 -0.859 1
1 17 . 4 1 1 A 9 9 GLY HA2 H 9 3.926 3.835 0.091 1
1 18 . 4 1 1 A 10 10 LYS N N 10 120.547 124.406 -3.859 1
1 19 . 4 1 1 A 10 10 LYS H H 10 8.067 8.598 -0.531 1
1 20 . 4 1 1 A 10 10 LYS CA C 10 56.267 59.220 -2.953 1
1 21 . 4 1 1 A 10 10 LYS HA H 10 4.277 4.062 0.215 1
1 22 . 4 1 1 A 10 10 LYS CB C 10 33.167 32.204 0.963 1
1 30 . 4 1 1 A 10 10 LYS C C 10 176.363 176.753 -0.390 1
1 35 . 4 1 1 A 11 11 LYS N N 11 122.689 119.999 2.690 1
1 36 . 4 1 1 A 11 11 LYS H H 11 8.290 7.508 0.782 1
1 37 . 4 1 1 A 11 11 LYS CA C 11 56.098 56.599 -0.501 1
1 38 . 4 1 1 A 11 11 LYS HA H 11 4.180 4.078 0.102 1
1 39 . 4 1 1 A 11 11 LYS CB C 11 32.953 33.293 -0.340 1
1 46 . 4 1 1 A 11 11 LYS C C 11 175.249 176.328 -1.079 1
1 51 . 4 1 1 A 12 12 LEU N N 12 121.792 122.451 -0.659 1
1 52 . 4 1 1 A 12 12 LEU H H 12 7.790 8.586 -0.796 1
1 53 . 4 1 1 A 12 12 LEU CA C 12 54.202 54.586 -0.384 1
1 54 . 4 1 1 A 12 12 LEU HA H 12 4.419 4.468 -0.049 1
1 55 . 4 1 1 A 12 12 LEU CB C 12 44.011 43.787 0.224 1
1 67 . 4 1 1 A 12 12 LEU C C 12 176.086 176.622 -0.536 1
1 69 . 4 1 1 A 13 13 PHE N N 13 121.077 118.200 2.877 1
1 70 . 4 1 1 A 13 13 PHE H H 13 8.628 7.648 0.980 1
1 71 . 4 1 1 A 13 13 PHE CA C 13 57.309 56.354 0.955 1
1 72 . 4 1 1 A 13 13 PHE HA H 13 4.578 5.326 -0.748 1
1 73 . 4 1 1 A 13 13 PHE CB C 13 40.107 43.131 -3.024 1
1 85 . 4 1 1 A 13 13 PHE C C 13 174.502 174.009 0.493 1
1 87 . 4 1 1 A 14 14 LYS N N 14 124.720 122.779 1.941 1
1 88 . 4 1 1 A 14 14 LYS H H 14 8.757 9.032 -0.275 1
1 89 . 4 1 1 A 14 14 LYS CA C 14 55.088 54.822 0.266 1
1 90 . 4 1 1 A 14 14 LYS HA H 14 4.866 5.051 -0.185 1
1 91 . 4 1 1 A 14 14 LYS CB C 14 35.570 36.554 -0.984 1
1 99 . 4 1 1 A 14 14 LYS C C 14 174.832 174.612 0.220 1
1 104 . 4 1 1 A 15 15 CYS N N 15 127.003 126.062 0.941 1
1 105 . 4 1 1 A 15 15 CYS H H 15 8.884 8.902 -0.018 1
1 106 . 4 1 1 A 15 15 CYS CA C 15 59.640 58.135 1.505 1
1 107 . 4 1 1 A 15 15 CYS HA H 15 4.497 4.767 -0.270 1
1 108 . 4 1 1 A 15 15 CYS CB C 15 29.562 28.884 0.678 1
1 110 . 4 1 1 A 15 15 CYS C C 15 176.310 175.404 0.906 1
1 112 . 4 1 1 A 16 16 ASN N N 16 128.404 126.932 1.472 1
1 113 . 4 1 1 A 16 16 ASN H H 16 9.250 9.120 0.130 1
1 114 . 4 1 1 A 16 16 ASN CA C 16 55.576 52.029 3.547 1
1 115 . 4 1 1 A 16 16 ASN HA H 16 4.554 4.828 -0.274 1
1 116 . 4 1 1 A 16 16 ASN CB C 16 38.591 36.922 1.669 1
1 121 . 4 1 1 A 16 16 ASN C C 16 175.713 176.215 -0.502 1
1 123 . 4 1 1 A 17 17 GLU N N 17 120.824 121.225 -0.401 1
1 124 . 4 1 1 A 17 17 GLU H H 17 8.813 8.044 0.769 1
1 125 . 4 1 1 A 17 17 GLU CA C 17 58.125 56.983 1.142 1
1 126 . 4 1 1 A 17 17 GLU HA H 17 4.242 4.422 -0.180 1
1 127 . 4 1 1 A 17 17 GLU CB C 17 29.807 31.953 -2.146 1
1 131 . 4 1 1 A 17 17 GLU C C 17 176.504 177.604 -1.100 1
1 134 . 4 1 1 A 18 18 CYS N N 18 116.605 114.084 2.521 1
1 135 . 4 1 1 A 18 18 CYS H H 18 7.948 7.502 0.446 1
1 136 . 4 1 1 A 18 18 CYS CA C 18 58.408 58.065 0.343 1
1 137 . 4 1 1 A 18 18 CYS HA H 18 5.061 4.631 0.430 1
1 138 . 4 1 1 A 18 18 CYS CB C 18 31.357 28.815 2.542 1
1 140 . 4 1 1 A 18 18 CYS C C 18 175.034 174.535 0.499 1
1 142 . 4 1 1 A 19 19 LYS N N 19 115.996 115.453 0.543 1
1 143 . 4 1 1 A 19 19 LYS H H 19 8.013 7.649 0.364 1
1 144 . 4 1 1 A 19 19 LYS CA C 19 57.801 57.330 0.471 1
1 145 . 4 1 1 A 19 19 LYS HA H 19 4.131 3.782 0.349 1
1 146 . 4 1 1 A 19 19 LYS CB C 19 29.728 29.489 0.239 1
1 153 . 4 1 1 A 19 19 LYS C C 19 175.710 174.473 1.237 1
1 158 . 4 1 1 A 20 20 LYS N N 20 122.163 118.795 3.368 1
1 159 . 4 1 1 A 20 20 LYS H H 20 8.056 7.759 0.297 1
1 160 . 4 1 1 A 20 20 LYS CA C 20 58.153 55.094 3.059 1
1 161 . 4 1 1 A 20 20 LYS HA H 20 4.068 4.731 -0.663 1
1 162 . 4 1 1 A 20 20 LYS CB C 20 33.850 35.060 -1.210 1
1 170 . 4 1 1 A 20 20 LYS C C 20 175.054 175.478 -0.424 1
1 175 . 4 1 1 A 21 21 THR N N 21 111.093 113.862 -2.769 1
1 176 . 4 1 1 A 21 21 THR H H 21 7.640 8.394 -0.754 1
1 177 . 4 1 1 A 21 21 THR CA C 21 59.789 59.456 0.333 1
1 178 . 4 1 1 A 21 21 THR HA H 21 5.059 5.166 -0.107 1
1 179 . 4 1 1 A 21 21 THR CB C 21 71.613 72.241 -0.628 1
1 185 . 4 1 1 A 21 21 THR C C 21 173.193 173.274 -0.081 1
1 186 . 4 1 1 A 22 22 PHE N N 22 117.679 118.476 -0.797 1
1 187 . 4 1 1 A 22 22 PHE H H 22 8.794 8.764 0.030 1
1 188 . 4 1 1 A 22 22 PHE CA C 22 56.872 56.782 0.090 1
1 189 . 4 1 1 A 22 22 PHE HA H 22 4.857 4.949 -0.092 1
1 190 . 4 1 1 A 22 22 PHE CB C 22 43.851 42.653 1.198 1
1 202 . 4 1 1 A 22 22 PHE C C 22 175.647 176.010 -0.363 1
1 204 . 4 1 1 A 23 23 THR N N 23 111.367 118.399 -7.032 1
1 205 . 4 1 1 A 23 23 THR H H 23 8.994 8.631 0.363 1
1 206 . 4 1 1 A 23 23 THR CA C 23 62.862 66.120 -3.258 1
1 207 . 4 1 1 A 23 23 THR HA H 23 4.704 3.964 0.740 1
1 208 . 4 1 1 A 23 23 THR CB C 23 69.427 68.695 0.732 1
1 214 . 4 1 1 A 23 23 THR C C 23 174.807 175.076 -0.269 1
1 215 . 4 1 1 A 24 24 GLN N N 24 116.885 119.289 -2.404 1
1 216 . 4 1 1 A 24 24 GLN H H 24 7.420 8.019 -0.599 1
1 217 . 4 1 1 A 24 24 GLN CA C 24 54.233 54.364 -0.131 1
1 218 . 4 1 1 A 24 24 GLN HA H 24 4.695 5.001 -0.306 1
1 219 . 4 1 1 A 24 24 GLN CB C 24 32.047 31.785 0.262 1
1 226 . 4 1 1 A 24 24 GLN C C 24 175.738 176.445 -0.707 1
1 229 . 4 1 1 A 25 25 SER CA C 25 60.953 61.430 -0.477 1
1 230 . 4 1 1 A 25 25 SER HA H 25 3.007 3.835 -0.828 1
1 231 . 4 1 1 A 25 25 SER CB C 25 61.858 62.142 -0.284 1
1 234 . 4 1 1 A 26 26 SER CA C 26 60.852 61.448 -0.596 1
1 235 . 4 1 1 A 26 26 SER HA H 26 4.030 3.963 0.067 1
1 236 . 4 1 1 A 26 26 SER CB C 26 61.476 62.927 -1.451 1
1 238 . 4 1 1 A 26 26 SER C C 26 176.745 176.977 -0.232 1
1 240 . 4 1 1 A 27 27 SER N N 27 116.833 115.641 1.192 1
1 241 . 4 1 1 A 27 27 SER H H 27 6.854 7.873 -1.019 1
1 242 . 4 1 1 A 27 27 SER CA C 27 60.741 61.266 -0.525 1
1 243 . 4 1 1 A 27 27 SER HA H 27 4.159 4.034 0.125 1
1 244 . 4 1 1 A 27 27 SER CB C 27 62.443 62.718 -0.275 1
1 246 . 4 1 1 A 27 27 SER C C 27 176.287 177.001 -0.714 1
1 248 . 4 1 1 A 28 28 LEU N N 28 123.878 122.048 1.830 1
1 249 . 4 1 1 A 28 28 LEU H H 28 6.955 7.437 -0.482 1
1 250 . 4 1 1 A 28 28 LEU CA C 28 57.843 58.202 -0.359 1
1 251 . 4 1 1 A 28 28 LEU HA H 28 3.164 3.856 -0.692 1
1 252 . 4 1 1 A 28 28 LEU CB C 28 40.011 42.123 -2.112 1
1 264 . 4 1 1 A 28 28 LEU C C 28 177.222 178.454 -1.232 1
1 266 . 4 1 1 A 29 29 THR N N 29 116.142 113.915 2.227 1
1 267 . 4 1 1 A 29 29 THR H H 29 8.071 7.952 0.119 1
1 268 . 4 1 1 A 29 29 THR CA C 29 66.739 66.704 0.035 1
1 269 . 4 1 1 A 29 29 THR HA H 29 3.894 3.825 0.069 1
1 270 . 4 1 1 A 29 29 THR CB C 29 68.480 68.401 0.079 1
1 276 . 4 1 1 A 29 29 THR C C 29 176.872 176.492 0.380 1
1 277 . 4 1 1 A 30 30 VAL N N 30 119.927 120.837 -0.910 1
1 278 . 4 1 1 A 30 30 VAL H H 30 7.466 7.472 -0.006 1
1 279 . 4 1 1 A 30 30 VAL CA C 30 66.507 66.342 0.165 1
1 280 . 4 1 1 A 30 30 VAL HA H 30 3.515 3.700 -0.185 1
1 281 . 4 1 1 A 30 30 VAL CB C 30 32.190 31.420 0.770 1
1 291 . 4 1 1 A 30 30 VAL C C 30 178.591 177.721 0.870 1
1 292 . 4 1 1 A 31 31 HIS N N 31 120.154 118.866 1.288 1
1 293 . 4 1 1 A 31 31 HIS H H 31 7.526 8.039 -0.513 1
1 294 . 4 1 1 A 31 31 HIS CA C 31 59.359 59.568 -0.209 1
1 295 . 4 1 1 A 31 31 HIS HA H 31 4.162 4.069 0.093 1
1 296 . 4 1 1 A 31 31 HIS CB C 31 28.537 29.796 -1.259 1
1 302 . 4 1 1 A 31 31 HIS C C 31 176.216 177.379 -1.163 1
1 304 . 4 1 1 A 32 32 GLN N N 32 114.689 118.370 -3.681 1
1 305 . 4 1 1 A 32 32 GLN H H 32 8.372 8.446 -0.074 1
1 306 . 4 1 1 A 32 32 GLN CA C 32 59.351 59.468 -0.117 1
1 307 . 4 1 1 A 32 32 GLN HA H 32 3.669 3.664 0.005 1
1 308 . 4 1 1 A 32 32 GLN CB C 32 28.390 28.392 -0.002 1
1 315 . 4 1 1 A 32 32 GLN C C 32 177.432 178.904 -1.472 1
1 318 . 4 1 1 A 33 33 ARG N N 33 117.675 119.064 -1.389 1
1 319 . 4 1 1 A 33 33 ARG H H 33 7.199 7.622 -0.423 1
1 320 . 4 1 1 A 33 33 ARG CA C 33 58.529 58.414 0.115 1
1 321 . 4 1 1 A 33 33 ARG HA H 33 4.128 4.009 0.119 1
1 322 . 4 1 1 A 33 33 ARG CB C 33 30.081 29.983 0.098 1
1 328 . 4 1 1 A 33 33 ARG C C 33 178.711 178.324 0.387 1
1 332 . 4 1 1 A 34 34 ILE N N 34 116.218 118.488 -2.270 1
1 333 . 4 1 1 A 34 34 ILE H H 34 7.863 7.351 0.512 1
1 334 . 4 1 1 A 34 34 ILE CA C 34 63.114 64.110 -0.996 1
1 335 . 4 1 1 A 34 34 ILE HA H 34 3.948 3.888 0.060 1
1 336 . 4 1 1 A 34 34 ILE CB C 34 37.777 37.043 0.734 1
1 348 . 4 1 1 A 34 34 ILE C C 34 177.391 177.187 0.204 1
1 350 . 4 1 1 A 35 35 HIS N N 35 117.652 117.771 -0.119 1
1 351 . 4 1 1 A 35 35 HIS H H 35 7.196 7.834 -0.638 1
1 352 . 4 1 1 A 35 35 HIS CA C 35 55.169 58.192 -3.023 1
1 353 . 4 1 1 A 35 35 HIS HA H 35 4.838 4.448 0.390 1
1 354 . 4 1 1 A 35 35 HIS CB C 35 28.595 30.965 -2.370 1
1 360 . 4 1 1 A 35 35 HIS C C 35 175.849 175.892 -0.043 1
1 362 . 4 1 1 A 36 36 THR N N 36 111.767 113.809 -2.042 1
1 363 . 4 1 1 A 36 36 THR H H 36 7.785 7.955 -0.170 1
1 364 . 4 1 1 A 36 36 THR CA C 36 62.507 64.638 -2.131 1
1 365 . 4 1 1 A 36 36 THR HA H 36 4.335 4.433 -0.098 1
1 366 . 4 1 1 A 36 36 THR CB C 36 69.809 70.093 -0.284 1
1 372 . 4 1 1 A 36 36 THR C C 36 175.513 176.246 -0.733 1
1 373 . 4 1 1 A 37 37 GLY N N 37 110.668 107.315 3.353 1
1 374 . 4 1 1 A 37 37 GLY H H 37 8.239 8.027 0.212 1
1 375 . 4 1 1 A 37 37 GLY CA C 37 45.371 45.784 -0.413 1
1 376 . 4 1 1 A 37 37 GLY HA3 H 37 3.945 3.846 0.099 1
1 377 . 4 1 1 A 37 37 GLY C C 37 174.036 173.320 0.716 1
1 378 . 4 1 1 A 37 37 GLY HA2 H 37 4.006 3.832 0.174 1
1 379 . 4 1 1 A 38 38 GLU N N 38 120.549 117.728 2.821 1
1 380 . 4 1 1 A 38 38 GLU H H 38 8.080 7.498 0.582 1
1 381 . 4 1 1 A 38 38 GLU CA C 38 56.482 54.304 2.178 1
1 382 . 4 1 1 A 38 38 GLU HA H 38 4.228 4.896 -0.668 1
1 383 . 4 1 1 A 38 38 GLU CB C 38 30.588 34.489 -3.901 1
1 387 . 4 1 1 A 38 38 GLU C C 38 176.186 175.915 0.271 1
1 390 . 4 1 1 A 39 39 LYS N N 39 123.911 122.286 1.625 1
1 391 . 4 1 1 A 39 39 LYS H H 39 8.412 8.132 0.280 1
1 392 . 4 1 1 A 39 39 LYS CA C 39 54.143 55.190 -1.047 1
1 393 . 4 1 1 A 39 39 LYS HA H 39 4.596 4.300 0.296 1
1 394 . 4 1 1 A 39 39 LYS CB C 39 32.571 32.635 -0.064 1
1 402 . 4 1 1 A 39 39 LYS C C 39 174.511 175.947 -1.436 1
1 407 . 4 1 1 A 40 40 PRO CA C 40 63.232 62.755 0.477 1
1 408 . 4 1 1 A 40 40 PRO HA H 40 4.447 4.642 -0.195 1
1 409 . 4 1 1 A 40 40 PRO CB C 40 32.194 31.875 0.319 1
1 1 . 5 1 1 A 7 7 GLY CA C 7 45.432 47.593 -2.161 1
1 2 . 5 1 1 A 7 7 GLY C C 7 174.065 174.574 -0.509 1
1 3 . 5 1 1 A 8 8 ALA N N 8 123.769 119.791 3.978 1
1 4 . 5 1 1 A 8 8 ALA H H 8 8.183 8.079 0.104 1
1 5 . 5 1 1 A 8 8 ALA CA C 8 52.778 53.346 -0.568 1
1 6 . 5 1 1 A 8 8 ALA HA H 8 4.313 3.968 0.345 1
1 7 . 5 1 1 A 8 8 ALA CB C 8 19.382 17.343 2.039 1
1 11 . 5 1 1 A 8 8 ALA C C 8 178.301 176.268 2.033 1
1 12 . 5 1 1 A 9 9 GLY N N 9 108.153 103.790 4.363 1
1 13 . 5 1 1 A 9 9 GLY H H 9 8.410 7.978 0.432 1
1 14 . 5 1 1 A 9 9 GLY CA C 9 45.309 44.160 1.149 1
1 15 . 5 1 1 A 9 9 GLY HA3 H 9 3.926 4.228 -0.302 1
1 16 . 5 1 1 A 9 9 GLY C C 9 174.030 174.167 -0.137 1
1 17 . 5 1 1 A 9 9 GLY HA2 H 9 3.926 4.224 -0.298 1
1 18 . 5 1 1 A 10 10 LYS N N 10 120.547 117.114 3.433 1
1 19 . 5 1 1 A 10 10 LYS H H 10 8.067 8.432 -0.365 1
1 20 . 5 1 1 A 10 10 LYS CA C 10 56.267 57.221 -0.954 1
1 21 . 5 1 1 A 10 10 LYS HA H 10 4.277 4.507 -0.230 1
1 22 . 5 1 1 A 10 10 LYS CB C 10 33.167 33.833 -0.666 1
1 30 . 5 1 1 A 10 10 LYS C C 10 176.363 176.168 0.195 1
1 35 . 5 1 1 A 11 11 LYS N N 11 122.689 120.206 2.483 1
1 36 . 5 1 1 A 11 11 LYS H H 11 8.290 7.503 0.787 1
1 37 . 5 1 1 A 11 11 LYS CA C 11 56.098 56.411 -0.313 1
1 38 . 5 1 1 A 11 11 LYS HA H 11 4.180 4.149 0.031 1
1 39 . 5 1 1 A 11 11 LYS CB C 11 32.953 33.327 -0.374 1
1 46 . 5 1 1 A 11 11 LYS C C 11 175.249 176.160 -0.911 1
1 51 . 5 1 1 A 12 12 LEU N N 12 121.792 121.930 -0.138 1
1 52 . 5 1 1 A 12 12 LEU H H 12 7.790 8.546 -0.756 1
1 53 . 5 1 1 A 12 12 LEU CA C 12 54.202 54.521 -0.319 1
1 54 . 5 1 1 A 12 12 LEU HA H 12 4.419 4.462 -0.043 1
1 55 . 5 1 1 A 12 12 LEU CB C 12 44.011 43.839 0.172 1
1 67 . 5 1 1 A 12 12 LEU C C 12 176.086 176.531 -0.445 1
1 69 . 5 1 1 A 13 13 PHE N N 13 121.077 118.485 2.592 1
1 70 . 5 1 1 A 13 13 PHE H H 13 8.628 7.591 1.037 1
1 71 . 5 1 1 A 13 13 PHE CA C 13 57.309 56.669 0.640 1
1 72 . 5 1 1 A 13 13 PHE HA H 13 4.578 5.283 -0.705 1
1 73 . 5 1 1 A 13 13 PHE CB C 13 40.107 41.639 -1.532 1
1 85 . 5 1 1 A 13 13 PHE C C 13 174.502 174.917 -0.415 1
1 87 . 5 1 1 A 14 14 LYS N N 14 124.720 120.248 4.472 1
1 88 . 5 1 1 A 14 14 LYS H H 14 8.757 9.256 -0.499 1
1 89 . 5 1 1 A 14 14 LYS CA C 14 55.088 54.473 0.615 1
1 90 . 5 1 1 A 14 14 LYS HA H 14 4.866 5.145 -0.279 1
1 91 . 5 1 1 A 14 14 LYS CB C 14 35.570 36.312 -0.742 1
1 99 . 5 1 1 A 14 14 LYS C C 14 174.832 174.825 0.007 1
1 104 . 5 1 1 A 15 15 CYS N N 15 127.003 121.742 5.261 1
1 105 . 5 1 1 A 15 15 CYS H H 15 8.884 8.895 -0.011 1
1 106 . 5 1 1 A 15 15 CYS CA C 15 59.640 57.591 2.049 1
1 107 . 5 1 1 A 15 15 CYS HA H 15 4.497 4.939 -0.442 1
1 108 . 5 1 1 A 15 15 CYS CB C 15 29.562 30.064 -0.502 1
1 110 . 5 1 1 A 15 15 CYS C C 15 176.310 175.553 0.757 1
1 112 . 5 1 1 A 16 16 ASN N N 16 128.404 126.418 1.986 1
1 113 . 5 1 1 A 16 16 ASN H H 16 9.250 9.131 0.119 1
1 114 . 5 1 1 A 16 16 ASN CA C 16 55.576 52.438 3.138 1
1 115 . 5 1 1 A 16 16 ASN HA H 16 4.554 4.904 -0.350 1
1 116 . 5 1 1 A 16 16 ASN CB C 16 38.591 37.606 0.985 1
1 121 . 5 1 1 A 16 16 ASN C C 16 175.713 176.135 -0.422 1
1 123 . 5 1 1 A 17 17 GLU N N 17 120.824 119.934 0.890 1
1 124 . 5 1 1 A 17 17 GLU H H 17 8.813 7.956 0.857 1
1 125 . 5 1 1 A 17 17 GLU CA C 17 58.125 56.882 1.243 1
1 126 . 5 1 1 A 17 17 GLU HA H 17 4.242 4.421 -0.179 1
1 127 . 5 1 1 A 17 17 GLU CB C 17 29.807 32.206 -2.399 1
1 131 . 5 1 1 A 17 17 GLU C C 17 176.504 177.590 -1.086 1
1 134 . 5 1 1 A 18 18 CYS N N 18 116.605 114.656 1.949 1
1 135 . 5 1 1 A 18 18 CYS H H 18 7.948 7.972 -0.024 1
1 136 . 5 1 1 A 18 18 CYS CA C 18 58.408 57.916 0.492 1
1 137 . 5 1 1 A 18 18 CYS HA H 18 5.061 4.681 0.380 1
1 138 . 5 1 1 A 18 18 CYS CB C 18 31.357 28.480 2.877 1
1 140 . 5 1 1 A 18 18 CYS C C 18 175.034 174.631 0.403 1
1 142 . 5 1 1 A 19 19 LYS N N 19 115.996 115.506 0.490 1
1 143 . 5 1 1 A 19 19 LYS H H 19 8.013 7.584 0.429 1
1 144 . 5 1 1 A 19 19 LYS CA C 19 57.801 57.348 0.453 1
1 145 . 5 1 1 A 19 19 LYS HA H 19 4.131 3.921 0.210 1
1 146 . 5 1 1 A 19 19 LYS CB C 19 29.728 29.909 -0.181 1
1 153 . 5 1 1 A 19 19 LYS C C 19 175.710 174.753 0.957 1
1 158 . 5 1 1 A 20 20 LYS N N 20 122.163 118.807 3.356 1
1 159 . 5 1 1 A 20 20 LYS H H 20 8.056 7.833 0.223 1
1 160 . 5 1 1 A 20 20 LYS CA C 20 58.153 54.807 3.346 1
1 161 . 5 1 1 A 20 20 LYS HA H 20 4.068 4.847 -0.779 1
1 162 . 5 1 1 A 20 20 LYS CB C 20 33.850 35.764 -1.914 1
1 170 . 5 1 1 A 20 20 LYS C C 20 175.054 175.574 -0.520 1
1 175 . 5 1 1 A 21 21 THR N N 21 111.093 114.356 -3.263 1
1 176 . 5 1 1 A 21 21 THR H H 21 7.640 8.830 -1.190 1
1 177 . 5 1 1 A 21 21 THR CA C 21 59.789 59.067 0.722 1
1 178 . 5 1 1 A 21 21 THR HA H 21 5.059 5.463 -0.404 1
1 179 . 5 1 1 A 21 21 THR CB C 21 71.613 72.368 -0.755 1
1 185 . 5 1 1 A 21 21 THR C C 21 173.193 173.656 -0.463 1
1 186 . 5 1 1 A 22 22 PHE N N 22 117.679 117.943 -0.264 1
1 187 . 5 1 1 A 22 22 PHE H H 22 8.794 8.834 -0.040 1
1 188 . 5 1 1 A 22 22 PHE CA C 22 56.872 56.922 -0.050 1
1 189 . 5 1 1 A 22 22 PHE HA H 22 4.857 4.949 -0.092 1
1 190 . 5 1 1 A 22 22 PHE CB C 22 43.851 42.656 1.195 1
1 202 . 5 1 1 A 22 22 PHE C C 22 175.647 176.222 -0.575 1
1 204 . 5 1 1 A 23 23 THR N N 23 111.367 117.521 -6.154 1
1 205 . 5 1 1 A 23 23 THR H H 23 8.994 8.547 0.447 1
1 206 . 5 1 1 A 23 23 THR CA C 23 62.862 66.421 -3.559 1
1 207 . 5 1 1 A 23 23 THR HA H 23 4.704 3.976 0.728 1
1 208 . 5 1 1 A 23 23 THR CB C 23 69.427 68.813 0.614 1
1 214 . 5 1 1 A 23 23 THR C C 23 174.807 175.319 -0.512 1
1 215 . 5 1 1 A 24 24 GLN N N 24 116.885 119.041 -2.156 1
1 216 . 5 1 1 A 24 24 GLN H H 24 7.420 8.106 -0.686 1
1 217 . 5 1 1 A 24 24 GLN CA C 24 54.233 54.155 0.078 1
1 218 . 5 1 1 A 24 24 GLN HA H 24 4.695 5.108 -0.413 1
1 219 . 5 1 1 A 24 24 GLN CB C 24 32.047 32.858 -0.811 1
1 226 . 5 1 1 A 24 24 GLN C C 24 175.738 175.857 -0.119 1
1 229 . 5 1 1 A 25 25 SER CA C 25 60.953 60.936 0.017 1
1 230 . 5 1 1 A 25 25 SER HA H 25 3.007 3.532 -0.525 1
1 231 . 5 1 1 A 25 25 SER CB C 25 61.858 62.125 -0.267 1
1 234 . 5 1 1 A 26 26 SER CA C 26 60.852 61.496 -0.644 1
1 235 . 5 1 1 A 26 26 SER HA H 26 4.030 4.165 -0.135 1
1 236 . 5 1 1 A 26 26 SER CB C 26 61.476 62.575 -1.099 1
1 238 . 5 1 1 A 26 26 SER C C 26 176.745 176.729 0.016 1
1 240 . 5 1 1 A 27 27 SER N N 27 116.833 116.922 -0.089 1
1 241 . 5 1 1 A 27 27 SER H H 27 6.854 8.016 -1.162 1
1 242 . 5 1 1 A 27 27 SER CA C 27 60.741 61.271 -0.530 1
1 243 . 5 1 1 A 27 27 SER HA H 27 4.159 4.123 0.036 1
1 244 . 5 1 1 A 27 27 SER CB C 27 62.443 62.947 -0.504 1
1 246 . 5 1 1 A 27 27 SER C C 27 176.287 176.650 -0.363 1
1 248 . 5 1 1 A 28 28 LEU N N 28 123.878 122.707 1.171 1
1 249 . 5 1 1 A 28 28 LEU H H 28 6.955 8.082 -1.127 1
1 250 . 5 1 1 A 28 28 LEU CA C 28 57.843 57.421 0.422 1
1 251 . 5 1 1 A 28 28 LEU HA H 28 3.164 2.889 0.275 1
1 252 . 5 1 1 A 28 28 LEU CB C 28 40.011 41.617 -1.606 1
1 264 . 5 1 1 A 28 28 LEU C C 28 177.222 178.512 -1.290 1
1 266 . 5 1 1 A 29 29 THR N N 29 116.142 114.464 1.678 1
1 267 . 5 1 1 A 29 29 THR H H 29 8.071 8.193 -0.122 1
1 268 . 5 1 1 A 29 29 THR CA C 29 66.739 66.596 0.143 1
1 269 . 5 1 1 A 29 29 THR HA H 29 3.894 3.807 0.087 1
1 270 . 5 1 1 A 29 29 THR CB C 29 68.480 68.645 -0.165 1
1 276 . 5 1 1 A 29 29 THR C C 29 176.872 176.471 0.401 1
1 277 . 5 1 1 A 30 30 VAL N N 30 119.927 120.141 -0.214 1
1 278 . 5 1 1 A 30 30 VAL H H 30 7.466 7.819 -0.353 1
1 279 . 5 1 1 A 30 30 VAL CA C 30 66.507 64.576 1.931 1
1 280 . 5 1 1 A 30 30 VAL HA H 30 3.515 3.770 -0.255 1
1 281 . 5 1 1 A 30 30 VAL CB C 30 32.190 31.314 0.876 1
1 291 . 5 1 1 A 30 30 VAL C C 30 178.591 177.055 1.536 1
1 292 . 5 1 1 A 31 31 HIS N N 31 120.154 121.215 -1.061 1
1 293 . 5 1 1 A 31 31 HIS H H 31 7.526 7.800 -0.274 1
1 294 . 5 1 1 A 31 31 HIS CA C 31 59.359 58.544 0.815 1
1 295 . 5 1 1 A 31 31 HIS HA H 31 4.162 4.166 -0.004 1
1 296 . 5 1 1 A 31 31 HIS CB C 31 28.537 29.988 -1.451 1
1 302 . 5 1 1 A 31 31 HIS C C 31 176.216 177.086 -0.870 1
1 304 . 5 1 1 A 32 32 GLN N N 32 114.689 118.255 -3.566 1
1 305 . 5 1 1 A 32 32 GLN H H 32 8.372 8.154 0.218 1
1 306 . 5 1 1 A 32 32 GLN CA C 32 59.351 59.348 0.003 1
1 307 . 5 1 1 A 32 32 GLN HA H 32 3.669 3.620 0.049 1
1 308 . 5 1 1 A 32 32 GLN CB C 32 28.390 28.326 0.064 1
1 315 . 5 1 1 A 32 32 GLN C C 32 177.432 178.882 -1.450 1
1 318 . 5 1 1 A 33 33 ARG N N 33 117.675 117.733 -0.058 1
1 319 . 5 1 1 A 33 33 ARG H H 33 7.199 7.619 -0.420 1
1 320 . 5 1 1 A 33 33 ARG CA C 33 58.529 58.566 -0.037 1
1 321 . 5 1 1 A 33 33 ARG HA H 33 4.128 4.233 -0.105 1
1 322 . 5 1 1 A 33 33 ARG CB C 33 30.081 29.572 0.509 1
1 328 . 5 1 1 A 33 33 ARG C C 33 178.711 178.283 0.428 1
1 332 . 5 1 1 A 34 34 ILE N N 34 116.218 121.082 -4.864 1
1 333 . 5 1 1 A 34 34 ILE H H 34 7.863 7.526 0.337 1
1 334 . 5 1 1 A 34 34 ILE CA C 34 63.114 64.868 -1.754 1
1 335 . 5 1 1 A 34 34 ILE HA H 34 3.948 3.544 0.404 1
1 336 . 5 1 1 A 34 34 ILE CB C 34 37.777 37.503 0.274 1
1 348 . 5 1 1 A 34 34 ILE C C 34 177.391 177.806 -0.415 1
1 350 . 5 1 1 A 35 35 HIS N N 35 117.652 118.643 -0.991 1
1 351 . 5 1 1 A 35 35 HIS H H 35 7.196 7.367 -0.171 1
1 352 . 5 1 1 A 35 35 HIS CA C 35 55.169 59.501 -4.332 1
1 353 . 5 1 1 A 35 35 HIS HA H 35 4.838 4.230 0.608 1
1 354 . 5 1 1 A 35 35 HIS CB C 35 28.595 30.575 -1.980 1
1 360 . 5 1 1 A 35 35 HIS C C 35 175.849 176.167 -0.318 1
1 362 . 5 1 1 A 36 36 THR N N 36 111.767 108.314 3.453 1
1 363 . 5 1 1 A 36 36 THR H H 36 7.785 7.458 0.327 1
1 364 . 5 1 1 A 36 36 THR CA C 36 62.507 61.180 1.327 1
1 365 . 5 1 1 A 36 36 THR HA H 36 4.335 4.314 0.021 1
1 366 . 5 1 1 A 36 36 THR CB C 36 69.809 68.799 1.010 1
1 372 . 5 1 1 A 36 36 THR C C 36 175.513 174.362 1.151 1
1 373 . 5 1 1 A 37 37 GLY N N 37 110.668 109.750 0.918 1
1 374 . 5 1 1 A 37 37 GLY H H 37 8.239 7.559 0.680 1
1 375 . 5 1 1 A 37 37 GLY CA C 37 45.371 45.517 -0.146 1
1 376 . 5 1 1 A 37 37 GLY HA3 H 37 3.945 3.982 -0.037 1
1 377 . 5 1 1 A 37 37 GLY C C 37 174.036 174.769 -0.733 1
1 378 . 5 1 1 A 37 37 GLY HA2 H 37 4.006 3.973 0.033 1
1 379 . 5 1 1 A 38 38 GLU N N 38 120.549 121.234 -0.685 1
1 380 . 5 1 1 A 38 38 GLU H H 38 8.080 8.196 -0.116 1
1 381 . 5 1 1 A 38 38 GLU CA C 38 56.482 55.984 0.498 1
1 382 . 5 1 1 A 38 38 GLU HA H 38 4.228 4.418 -0.190 1
1 383 . 5 1 1 A 38 38 GLU CB C 38 30.588 30.284 0.304 1
1 387 . 5 1 1 A 38 38 GLU C C 38 176.186 176.621 -0.435 1
1 390 . 5 1 1 A 39 39 LYS N N 39 123.911 123.458 0.453 1
1 391 . 5 1 1 A 39 39 LYS H H 39 8.412 8.450 -0.038 1
1 392 . 5 1 1 A 39 39 LYS CA C 39 54.143 55.324 -1.181 1
1 393 . 5 1 1 A 39 39 LYS HA H 39 4.596 4.176 0.420 1
1 394 . 5 1 1 A 39 39 LYS CB C 39 32.571 32.374 0.197 1
1 402 . 5 1 1 A 39 39 LYS C C 39 174.511 175.095 -0.584 1
1 407 . 5 1 1 A 40 40 PRO CA C 40 63.232 62.846 0.386 1
1 408 . 5 1 1 A 40 40 PRO HA H 40 4.447 4.689 -0.242 1
1 409 . 5 1 1 A 40 40 PRO CB C 40 32.194 31.744 0.450 1
1 1 . 6 1 1 A 7 7 GLY CA C 7 45.432 45.220 0.212 1
1 2 . 6 1 1 A 7 7 GLY C C 7 174.065 173.366 0.699 1
1 3 . 6 1 1 A 8 8 ALA N N 8 123.769 120.746 3.023 1
1 4 . 6 1 1 A 8 8 ALA H H 8 8.183 7.709 0.474 1
1 5 . 6 1 1 A 8 8 ALA CA C 8 52.778 51.666 1.112 1
1 6 . 6 1 1 A 8 8 ALA HA H 8 4.313 4.849 -0.536 1
1 7 . 6 1 1 A 8 8 ALA CB C 8 19.382 22.229 -2.847 1
1 11 . 6 1 1 A 8 8 ALA C C 8 178.301 176.416 1.885 1
1 12 . 6 1 1 A 9 9 GLY N N 9 108.153 109.606 -1.453 1
1 13 . 6 1 1 A 9 9 GLY H H 9 8.410 8.327 0.083 1
1 14 . 6 1 1 A 9 9 GLY CA C 9 45.309 45.476 -0.167 1
1 15 . 6 1 1 A 9 9 GLY HA3 H 9 3.926 3.926 0.000 1
1 16 . 6 1 1 A 9 9 GLY C C 9 174.030 174.657 -0.627 1
1 17 . 6 1 1 A 9 9 GLY HA2 H 9 3.926 3.924 0.002 1
1 18 . 6 1 1 A 10 10 LYS N N 10 120.547 120.076 0.471 1
1 19 . 6 1 1 A 10 10 LYS H H 10 8.067 8.286 -0.219 1
1 20 . 6 1 1 A 10 10 LYS CA C 10 56.267 58.548 -2.281 1
1 21 . 6 1 1 A 10 10 LYS HA H 10 4.277 4.195 0.082 1
1 22 . 6 1 1 A 10 10 LYS CB C 10 33.167 32.393 0.774 1
1 30 . 6 1 1 A 10 10 LYS C C 10 176.363 175.859 0.504 1
1 35 . 6 1 1 A 11 11 LYS N N 11 122.689 119.825 2.864 1
1 36 . 6 1 1 A 11 11 LYS H H 11 8.290 7.613 0.677 1
1 37 . 6 1 1 A 11 11 LYS CA C 11 56.098 55.475 0.623 1
1 38 . 6 1 1 A 11 11 LYS HA H 11 4.180 4.537 -0.357 1
1 39 . 6 1 1 A 11 11 LYS CB C 11 32.953 34.127 -1.174 1
1 46 . 6 1 1 A 11 11 LYS C C 11 175.249 175.800 -0.551 1
1 51 . 6 1 1 A 12 12 LEU N N 12 121.792 122.506 -0.714 1
1 52 . 6 1 1 A 12 12 LEU H H 12 7.790 8.316 -0.526 1
1 53 . 6 1 1 A 12 12 LEU CA C 12 54.202 54.775 -0.573 1
1 54 . 6 1 1 A 12 12 LEU HA H 12 4.419 4.541 -0.122 1
1 55 . 6 1 1 A 12 12 LEU CB C 12 44.011 44.262 -0.251 1
1 67 . 6 1 1 A 12 12 LEU C C 12 176.086 175.920 0.166 1
1 69 . 6 1 1 A 13 13 PHE N N 13 121.077 115.860 5.217 1
1 70 . 6 1 1 A 13 13 PHE H H 13 8.628 7.722 0.906 1
1 71 . 6 1 1 A 13 13 PHE CA C 13 57.309 55.375 1.934 1
1 72 . 6 1 1 A 13 13 PHE HA H 13 4.578 5.463 -0.885 1
1 73 . 6 1 1 A 13 13 PHE CB C 13 40.107 43.364 -3.257 1
1 85 . 6 1 1 A 13 13 PHE C C 13 174.502 172.828 1.674 1
1 87 . 6 1 1 A 14 14 LYS N N 14 124.720 120.316 4.404 1
1 88 . 6 1 1 A 14 14 LYS H H 14 8.757 9.050 -0.293 1
1 89 . 6 1 1 A 14 14 LYS CA C 14 55.088 54.858 0.230 1
1 90 . 6 1 1 A 14 14 LYS HA H 14 4.866 5.016 -0.150 1
1 91 . 6 1 1 A 14 14 LYS CB C 14 35.570 36.231 -0.661 1
1 99 . 6 1 1 A 14 14 LYS C C 14 174.832 175.477 -0.645 1
1 104 . 6 1 1 A 15 15 CYS N N 15 127.003 125.703 1.300 1
1 105 . 6 1 1 A 15 15 CYS H H 15 8.884 8.724 0.160 1
1 106 . 6 1 1 A 15 15 CYS CA C 15 59.640 59.803 -0.163 1
1 107 . 6 1 1 A 15 15 CYS HA H 15 4.497 4.534 -0.037 1
1 108 . 6 1 1 A 15 15 CYS CB C 15 29.562 28.451 1.111 1
1 110 . 6 1 1 A 15 15 CYS C C 15 176.310 176.410 -0.100 1
1 112 . 6 1 1 A 16 16 ASN N N 16 128.404 126.924 1.480 1
1 113 . 6 1 1 A 16 16 ASN H H 16 9.250 9.339 -0.089 1
1 114 . 6 1 1 A 16 16 ASN CA C 16 55.576 52.647 2.929 1
1 115 . 6 1 1 A 16 16 ASN HA H 16 4.554 5.027 -0.473 1
1 116 . 6 1 1 A 16 16 ASN CB C 16 38.591 38.548 0.043 1
1 121 . 6 1 1 A 16 16 ASN C C 16 175.713 176.078 -0.365 1
1 123 . 6 1 1 A 17 17 GLU N N 17 120.824 119.450 1.374 1
1 124 . 6 1 1 A 17 17 GLU H H 17 8.813 7.731 1.082 1
1 125 . 6 1 1 A 17 17 GLU CA C 17 58.125 57.010 1.115 1
1 126 . 6 1 1 A 17 17 GLU HA H 17 4.242 4.365 -0.123 1
1 127 . 6 1 1 A 17 17 GLU CB C 17 29.807 31.044 -1.237 1
1 131 . 6 1 1 A 17 17 GLU C C 17 176.504 177.738 -1.234 1
1 134 . 6 1 1 A 18 18 CYS N N 18 116.605 114.252 2.353 1
1 135 . 6 1 1 A 18 18 CYS H H 18 7.948 7.755 0.193 1
1 136 . 6 1 1 A 18 18 CYS CA C 18 58.408 58.264 0.144 1
1 137 . 6 1 1 A 18 18 CYS HA H 18 5.061 4.589 0.472 1
1 138 . 6 1 1 A 18 18 CYS CB C 18 31.357 29.639 1.718 1
1 140 . 6 1 1 A 18 18 CYS C C 18 175.034 174.761 0.273 1
1 142 . 6 1 1 A 19 19 LYS N N 19 115.996 116.316 -0.320 1
1 143 . 6 1 1 A 19 19 LYS H H 19 8.013 7.825 0.188 1
1 144 . 6 1 1 A 19 19 LYS CA C 19 57.801 57.346 0.455 1
1 145 . 6 1 1 A 19 19 LYS HA H 19 4.131 4.045 0.086 1
1 146 . 6 1 1 A 19 19 LYS CB C 19 29.728 29.271 0.457 1
1 153 . 6 1 1 A 19 19 LYS C C 19 175.710 174.713 0.997 1
1 158 . 6 1 1 A 20 20 LYS N N 20 122.163 118.746 3.417 1
1 159 . 6 1 1 A 20 20 LYS H H 20 8.056 7.734 0.322 1
1 160 . 6 1 1 A 20 20 LYS CA C 20 58.153 54.561 3.592 1
1 161 . 6 1 1 A 20 20 LYS HA H 20 4.068 4.811 -0.743 1
1 162 . 6 1 1 A 20 20 LYS CB C 20 33.850 36.139 -2.289 1
1 170 . 6 1 1 A 20 20 LYS C C 20 175.054 174.958 0.096 1
1 175 . 6 1 1 A 21 21 THR N N 21 111.093 112.763 -1.670 1
1 176 . 6 1 1 A 21 21 THR H H 21 7.640 8.334 -0.694 1
1 177 . 6 1 1 A 21 21 THR CA C 21 59.789 59.630 0.159 1
1 178 . 6 1 1 A 21 21 THR HA H 21 5.059 5.325 -0.266 1
1 179 . 6 1 1 A 21 21 THR CB C 21 71.613 72.423 -0.810 1
1 185 . 6 1 1 A 21 21 THR C C 21 173.193 172.049 1.144 1
1 186 . 6 1 1 A 22 22 PHE N N 22 117.679 117.679 0.000 1
1 187 . 6 1 1 A 22 22 PHE H H 22 8.794 8.953 -0.159 1
1 188 . 6 1 1 A 22 22 PHE CA C 22 56.872 56.598 0.274 1
1 189 . 6 1 1 A 22 22 PHE HA H 22 4.857 5.004 -0.147 1
1 190 . 6 1 1 A 22 22 PHE CB C 22 43.851 43.274 0.577 1
1 202 . 6 1 1 A 22 22 PHE C C 22 175.647 175.446 0.201 1
1 204 . 6 1 1 A 23 23 THR N N 23 111.367 117.380 -6.013 1
1 205 . 6 1 1 A 23 23 THR H H 23 8.994 8.827 0.167 1
1 206 . 6 1 1 A 23 23 THR CA C 23 62.862 62.893 -0.031 1
1 207 . 6 1 1 A 23 23 THR HA H 23 4.704 4.536 0.168 1
1 208 . 6 1 1 A 23 23 THR CB C 23 69.427 69.314 0.113 1
1 214 . 6 1 1 A 23 23 THR C C 23 174.807 174.075 0.732 1
1 215 . 6 1 1 A 24 24 GLN N N 24 116.885 121.602 -4.717 1
1 216 . 6 1 1 A 24 24 GLN H H 24 7.420 7.802 -0.382 1
1 217 . 6 1 1 A 24 24 GLN CA C 24 54.233 54.950 -0.717 1
1 218 . 6 1 1 A 24 24 GLN HA H 24 4.695 4.701 -0.006 1
1 219 . 6 1 1 A 24 24 GLN CB C 24 32.047 31.007 1.040 1
1 226 . 6 1 1 A 24 24 GLN C C 24 175.738 175.924 -0.186 1
1 229 . 6 1 1 A 25 25 SER CA C 25 60.953 62.300 -1.347 1
1 230 . 6 1 1 A 25 25 SER HA H 25 3.007 3.988 -0.981 1
1 231 . 6 1 1 A 25 25 SER CB C 25 61.858 62.735 -0.877 1
1 234 . 6 1 1 A 26 26 SER CA C 26 60.852 61.616 -0.764 1
1 235 . 6 1 1 A 26 26 SER HA H 26 4.030 4.103 -0.073 1
1 236 . 6 1 1 A 26 26 SER CB C 26 61.476 62.769 -1.293 1
1 238 . 6 1 1 A 26 26 SER C C 26 176.745 176.557 0.188 1
1 240 . 6 1 1 A 27 27 SER N N 27 116.833 118.380 -1.547 1
1 241 . 6 1 1 A 27 27 SER H H 27 6.854 8.320 -1.466 1
1 242 . 6 1 1 A 27 27 SER CA C 27 60.741 62.164 -1.423 1
1 243 . 6 1 1 A 27 27 SER HA H 27 4.159 3.929 0.230 1
1 244 . 6 1 1 A 27 27 SER CB C 27 62.443 62.936 -0.493 1
1 246 . 6 1 1 A 27 27 SER C C 27 176.287 175.735 0.552 1
1 248 . 6 1 1 A 28 28 LEU N N 28 123.878 122.530 1.348 1
1 249 . 6 1 1 A 28 28 LEU H H 28 6.955 7.443 -0.488 1
1 250 . 6 1 1 A 28 28 LEU CA C 28 57.843 58.016 -0.173 1
1 251 . 6 1 1 A 28 28 LEU HA H 28 3.164 3.871 -0.707 1
1 252 . 6 1 1 A 28 28 LEU CB C 28 40.011 41.372 -1.361 1
1 264 . 6 1 1 A 28 28 LEU C C 28 177.222 178.525 -1.303 1
1 266 . 6 1 1 A 29 29 THR N N 29 116.142 114.078 2.064 1
1 267 . 6 1 1 A 29 29 THR H H 29 8.071 7.383 0.688 1
1 268 . 6 1 1 A 29 29 THR CA C 29 66.739 66.527 0.212 1
1 269 . 6 1 1 A 29 29 THR HA H 29 3.894 3.803 0.091 1
1 270 . 6 1 1 A 29 29 THR CB C 29 68.480 68.490 -0.010 1
1 276 . 6 1 1 A 29 29 THR C C 29 176.872 176.424 0.448 1
1 277 . 6 1 1 A 30 30 VAL N N 30 119.927 120.880 -0.953 1
1 278 . 6 1 1 A 30 30 VAL H H 30 7.466 7.673 -0.207 1
1 279 . 6 1 1 A 30 30 VAL CA C 30 66.507 66.291 0.216 1
1 280 . 6 1 1 A 30 30 VAL HA H 30 3.515 3.664 -0.149 1
1 281 . 6 1 1 A 30 30 VAL CB C 30 32.190 31.334 0.856 1
1 291 . 6 1 1 A 30 30 VAL C C 30 178.591 177.882 0.709 1
1 292 . 6 1 1 A 31 31 HIS N N 31 120.154 118.786 1.368 1
1 293 . 6 1 1 A 31 31 HIS H H 31 7.526 8.476 -0.950 1
1 294 . 6 1 1 A 31 31 HIS CA C 31 59.359 59.095 0.264 1
1 295 . 6 1 1 A 31 31 HIS HA H 31 4.162 4.056 0.106 1
1 296 . 6 1 1 A 31 31 HIS CB C 31 28.537 29.741 -1.204 1
1 302 . 6 1 1 A 31 31 HIS C C 31 176.216 176.906 -0.690 1
1 304 . 6 1 1 A 32 32 GLN N N 32 114.689 118.585 -3.896 1
1 305 . 6 1 1 A 32 32 GLN H H 32 8.372 8.431 -0.059 1
1 306 . 6 1 1 A 32 32 GLN CA C 32 59.351 58.602 0.749 1
1 307 . 6 1 1 A 32 32 GLN HA H 32 3.669 3.689 -0.020 1
1 308 . 6 1 1 A 32 32 GLN CB C 32 28.390 28.673 -0.283 1
1 315 . 6 1 1 A 32 32 GLN C C 32 177.432 178.525 -1.093 1
1 318 . 6 1 1 A 33 33 ARG N N 33 117.675 118.066 -0.391 1
1 319 . 6 1 1 A 33 33 ARG H H 33 7.199 7.718 -0.519 1
1 320 . 6 1 1 A 33 33 ARG CA C 33 58.529 58.314 0.215 1
1 321 . 6 1 1 A 33 33 ARG HA H 33 4.128 4.005 0.123 1
1 322 . 6 1 1 A 33 33 ARG CB C 33 30.081 30.024 0.057 1
1 328 . 6 1 1 A 33 33 ARG C C 33 178.711 178.852 -0.141 1
1 332 . 6 1 1 A 34 34 ILE N N 34 116.218 119.689 -3.471 1
1 333 . 6 1 1 A 34 34 ILE H H 34 7.863 7.279 0.584 1
1 334 . 6 1 1 A 34 34 ILE CA C 34 63.114 64.288 -1.174 1
1 335 . 6 1 1 A 34 34 ILE HA H 34 3.948 3.666 0.282 1
1 336 . 6 1 1 A 34 34 ILE CB C 34 37.777 37.587 0.190 1
1 348 . 6 1 1 A 34 34 ILE C C 34 177.391 177.867 -0.476 1
1 350 . 6 1 1 A 35 35 HIS N N 35 117.652 118.818 -1.166 1
1 351 . 6 1 1 A 35 35 HIS H H 35 7.196 7.450 -0.254 1
1 352 . 6 1 1 A 35 35 HIS CA C 35 55.169 59.956 -4.787 1
1 353 . 6 1 1 A 35 35 HIS HA H 35 4.838 4.232 0.606 1
1 354 . 6 1 1 A 35 35 HIS CB C 35 28.595 29.949 -1.354 1
1 360 . 6 1 1 A 35 35 HIS C C 35 175.849 177.820 -1.971 1
1 362 . 6 1 1 A 36 36 THR N N 36 111.767 114.761 -2.994 1
1 363 . 6 1 1 A 36 36 THR H H 36 7.785 7.821 -0.036 1
1 364 . 6 1 1 A 36 36 THR CA C 36 62.507 65.191 -2.684 1
1 365 . 6 1 1 A 36 36 THR HA H 36 4.335 3.984 0.351 1
1 366 . 6 1 1 A 36 36 THR CB C 36 69.809 68.589 1.220 1
1 372 . 6 1 1 A 36 36 THR C C 36 175.513 176.950 -1.437 1
1 373 . 6 1 1 A 37 37 GLY N N 37 110.668 108.011 2.657 1
1 374 . 6 1 1 A 37 37 GLY H H 37 8.239 8.370 -0.131 1
1 375 . 6 1 1 A 37 37 GLY CA C 37 45.371 47.236 -1.865 1
1 376 . 6 1 1 A 37 37 GLY HA3 H 37 3.945 3.697 0.248 1
1 377 . 6 1 1 A 37 37 GLY C C 37 174.036 175.401 -1.365 1
1 378 . 6 1 1 A 37 37 GLY HA2 H 37 4.006 3.684 0.322 1
1 379 . 6 1 1 A 38 38 GLU N N 38 120.549 119.123 1.426 1
1 380 . 6 1 1 A 38 38 GLU H H 38 8.080 7.288 0.792 1
1 381 . 6 1 1 A 38 38 GLU CA C 38 56.482 57.281 -0.799 1
1 382 . 6 1 1 A 38 38 GLU HA H 38 4.228 4.296 -0.068 1
1 383 . 6 1 1 A 38 38 GLU CB C 38 30.588 30.250 0.338 1
1 387 . 6 1 1 A 38 38 GLU C C 38 176.186 176.384 -0.198 1
1 390 . 6 1 1 A 39 39 LYS N N 39 123.911 122.088 1.823 1
1 391 . 6 1 1 A 39 39 LYS H H 39 8.412 8.333 0.079 1
1 392 . 6 1 1 A 39 39 LYS CA C 39 54.143 54.377 -0.234 1
1 393 . 6 1 1 A 39 39 LYS HA H 39 4.596 4.735 -0.139 1
1 394 . 6 1 1 A 39 39 LYS CB C 39 32.571 32.891 -0.320 1
1 402 . 6 1 1 A 39 39 LYS C C 39 174.511 174.746 -0.235 1
1 407 . 6 1 1 A 40 40 PRO CA C 40 63.232 62.978 0.254 1
1 408 . 6 1 1 A 40 40 PRO HA H 40 4.447 4.733 -0.286 1
1 409 . 6 1 1 A 40 40 PRO CB C 40 32.194 31.689 0.505 1
1 1 . 7 1 1 A 7 7 GLY CA C 7 45.432 44.873 0.559 1
1 2 . 7 1 1 A 7 7 GLY C C 7 174.065 172.982 1.083 1
1 3 . 7 1 1 A 8 8 ALA N N 8 123.769 124.072 -0.303 1
1 4 . 7 1 1 A 8 8 ALA H H 8 8.183 8.190 -0.007 1
1 5 . 7 1 1 A 8 8 ALA CA C 8 52.778 51.402 1.376 1
1 6 . 7 1 1 A 8 8 ALA HA H 8 4.313 4.997 -0.684 1
1 7 . 7 1 1 A 8 8 ALA CB C 8 19.382 23.069 -3.687 1
1 11 . 7 1 1 A 8 8 ALA C C 8 178.301 176.069 2.232 1
1 12 . 7 1 1 A 9 9 GLY N N 9 108.153 105.794 2.359 1
1 13 . 7 1 1 A 9 9 GLY H H 9 8.410 8.331 0.079 1
1 14 . 7 1 1 A 9 9 GLY CA C 9 45.309 46.089 -0.780 1
1 15 . 7 1 1 A 9 9 GLY HA3 H 9 3.926 4.179 -0.253 1
1 16 . 7 1 1 A 9 9 GLY C C 9 174.030 174.460 -0.430 1
1 17 . 7 1 1 A 9 9 GLY HA2 H 9 3.926 4.179 -0.253 1
1 18 . 7 1 1 A 10 10 LYS N N 10 120.547 125.082 -4.535 1
1 19 . 7 1 1 A 10 10 LYS H H 10 8.067 8.626 -0.559 1
1 20 . 7 1 1 A 10 10 LYS CA C 10 56.267 59.154 -2.887 1
1 21 . 7 1 1 A 10 10 LYS HA H 10 4.277 4.088 0.189 1
1 22 . 7 1 1 A 10 10 LYS CB C 10 33.167 32.302 0.865 1
1 30 . 7 1 1 A 10 10 LYS C C 10 176.363 176.634 -0.271 1
1 35 . 7 1 1 A 11 11 LYS N N 11 122.689 120.163 2.526 1
1 36 . 7 1 1 A 11 11 LYS H H 11 8.290 7.511 0.779 1
1 37 . 7 1 1 A 11 11 LYS CA C 11 56.098 57.039 -0.941 1
1 38 . 7 1 1 A 11 11 LYS HA H 11 4.180 4.014 0.166 1
1 39 . 7 1 1 A 11 11 LYS CB C 11 32.953 33.379 -0.426 1
1 46 . 7 1 1 A 11 11 LYS C C 11 175.249 176.291 -1.042 1
1 51 . 7 1 1 A 12 12 LEU N N 12 121.792 122.326 -0.534 1
1 52 . 7 1 1 A 12 12 LEU H H 12 7.790 8.572 -0.782 1
1 53 . 7 1 1 A 12 12 LEU CA C 12 54.202 54.436 -0.234 1
1 54 . 7 1 1 A 12 12 LEU HA H 12 4.419 4.461 -0.042 1
1 55 . 7 1 1 A 12 12 LEU CB C 12 44.011 43.657 0.354 1
1 67 . 7 1 1 A 12 12 LEU C C 12 176.086 176.438 -0.352 1
1 69 . 7 1 1 A 13 13 PHE N N 13 121.077 118.387 2.690 1
1 70 . 7 1 1 A 13 13 PHE H H 13 8.628 7.648 0.980 1
1 71 . 7 1 1 A 13 13 PHE CA C 13 57.309 56.173 1.136 1
1 72 . 7 1 1 A 13 13 PHE HA H 13 4.578 5.357 -0.779 1
1 73 . 7 1 1 A 13 13 PHE CB C 13 40.107 43.549 -3.442 1
1 85 . 7 1 1 A 13 13 PHE C C 13 174.502 173.991 0.511 1
1 87 . 7 1 1 A 14 14 LYS N N 14 124.720 121.948 2.772 1
1 88 . 7 1 1 A 14 14 LYS H H 14 8.757 8.964 -0.207 1
1 89 . 7 1 1 A 14 14 LYS CA C 14 55.088 54.925 0.163 1
1 90 . 7 1 1 A 14 14 LYS HA H 14 4.866 4.999 -0.133 1
1 91 . 7 1 1 A 14 14 LYS CB C 14 35.570 35.816 -0.246 1
1 99 . 7 1 1 A 14 14 LYS C C 14 174.832 174.753 0.079 1
1 104 . 7 1 1 A 15 15 CYS N N 15 127.003 126.848 0.155 1
1 105 . 7 1 1 A 15 15 CYS H H 15 8.884 9.108 -0.224 1
1 106 . 7 1 1 A 15 15 CYS CA C 15 59.640 58.306 1.334 1
1 107 . 7 1 1 A 15 15 CYS HA H 15 4.497 4.799 -0.302 1
1 108 . 7 1 1 A 15 15 CYS CB C 15 29.562 27.989 1.573 1
1 110 . 7 1 1 A 15 15 CYS C C 15 176.310 175.877 0.433 1
1 112 . 7 1 1 A 16 16 ASN N N 16 128.404 126.291 2.113 1
1 113 . 7 1 1 A 16 16 ASN H H 16 9.250 8.884 0.366 1
1 114 . 7 1 1 A 16 16 ASN CA C 16 55.576 52.957 2.619 1
1 115 . 7 1 1 A 16 16 ASN HA H 16 4.554 4.785 -0.231 1
1 116 . 7 1 1 A 16 16 ASN CB C 16 38.591 37.486 1.105 1
1 121 . 7 1 1 A 16 16 ASN C C 16 175.713 175.529 0.184 1
1 123 . 7 1 1 A 17 17 GLU N N 17 120.824 118.400 2.424 1
1 124 . 7 1 1 A 17 17 GLU H H 17 8.813 8.108 0.705 1
1 125 . 7 1 1 A 17 17 GLU CA C 17 58.125 56.940 1.185 1
1 126 . 7 1 1 A 17 17 GLU HA H 17 4.242 4.404 -0.162 1
1 127 . 7 1 1 A 17 17 GLU CB C 17 29.807 32.016 -2.209 1
1 131 . 7 1 1 A 17 17 GLU C C 17 176.504 177.581 -1.077 1
1 134 . 7 1 1 A 18 18 CYS N N 18 116.605 114.089 2.516 1
1 135 . 7 1 1 A 18 18 CYS H H 18 7.948 7.896 0.052 1
1 136 . 7 1 1 A 18 18 CYS CA C 18 58.408 58.243 0.165 1
1 137 . 7 1 1 A 18 18 CYS HA H 18 5.061 4.593 0.468 1
1 138 . 7 1 1 A 18 18 CYS CB C 18 31.357 29.398 1.959 1
1 140 . 7 1 1 A 18 18 CYS C C 18 175.034 174.554 0.480 1
1 142 . 7 1 1 A 19 19 LYS N N 19 115.996 116.145 -0.149 1
1 143 . 7 1 1 A 19 19 LYS H H 19 8.013 7.737 0.276 1
1 144 . 7 1 1 A 19 19 LYS CA C 19 57.801 57.367 0.434 1
1 145 . 7 1 1 A 19 19 LYS HA H 19 4.131 3.854 0.277 1
1 146 . 7 1 1 A 19 19 LYS CB C 19 29.728 29.343 0.385 1
1 153 . 7 1 1 A 19 19 LYS C C 19 175.710 174.736 0.974 1
1 158 . 7 1 1 A 20 20 LYS N N 20 122.163 118.522 3.641 1
1 159 . 7 1 1 A 20 20 LYS H H 20 8.056 7.793 0.263 1
1 160 . 7 1 1 A 20 20 LYS CA C 20 58.153 54.902 3.251 1
1 161 . 7 1 1 A 20 20 LYS HA H 20 4.068 4.934 -0.866 1
1 162 . 7 1 1 A 20 20 LYS CB C 20 33.850 36.155 -2.305 1
1 170 . 7 1 1 A 20 20 LYS C C 20 175.054 174.790 0.264 1
1 175 . 7 1 1 A 21 21 THR N N 21 111.093 118.443 -7.350 1
1 176 . 7 1 1 A 21 21 THR H H 21 7.640 8.788 -1.148 1
1 177 . 7 1 1 A 21 21 THR CA C 21 59.789 59.501 0.288 1
1 178 . 7 1 1 A 21 21 THR HA H 21 5.059 5.239 -0.180 1
1 179 . 7 1 1 A 21 21 THR CB C 21 71.613 71.270 0.343 1
1 185 . 7 1 1 A 21 21 THR C C 21 173.193 172.463 0.730 1
1 186 . 7 1 1 A 22 22 PHE N N 22 117.679 121.150 -3.471 1
1 187 . 7 1 1 A 22 22 PHE H H 22 8.794 8.869 -0.075 1
1 188 . 7 1 1 A 22 22 PHE CA C 22 56.872 56.551 0.321 1
1 189 . 7 1 1 A 22 22 PHE HA H 22 4.857 4.990 -0.133 1
1 190 . 7 1 1 A 22 22 PHE CB C 22 43.851 43.282 0.569 1
1 202 . 7 1 1 A 22 22 PHE C C 22 175.647 175.641 0.006 1
1 204 . 7 1 1 A 23 23 THR N N 23 111.367 117.309 -5.942 1
1 205 . 7 1 1 A 23 23 THR H H 23 8.994 8.867 0.127 1
1 206 . 7 1 1 A 23 23 THR CA C 23 62.862 62.993 -0.131 1
1 207 . 7 1 1 A 23 23 THR HA H 23 4.704 4.589 0.115 1
1 208 . 7 1 1 A 23 23 THR CB C 23 69.427 69.629 -0.202 1
1 214 . 7 1 1 A 23 23 THR C C 23 174.807 174.133 0.674 1
1 215 . 7 1 1 A 24 24 GLN N N 24 116.885 121.299 -4.414 1
1 216 . 7 1 1 A 24 24 GLN H H 24 7.420 7.805 -0.385 1
1 217 . 7 1 1 A 24 24 GLN CA C 24 54.233 54.709 -0.476 1
1 218 . 7 1 1 A 24 24 GLN HA H 24 4.695 4.704 -0.009 1
1 219 . 7 1 1 A 24 24 GLN CB C 24 32.047 31.168 0.879 1
1 226 . 7 1 1 A 24 24 GLN C C 24 175.738 175.895 -0.157 1
1 229 . 7 1 1 A 25 25 SER CA C 25 60.953 61.868 -0.915 1
1 230 . 7 1 1 A 25 25 SER HA H 25 3.007 3.339 -0.332 1
1 231 . 7 1 1 A 25 25 SER CB C 25 61.858 62.689 -0.831 1
1 234 . 7 1 1 A 26 26 SER CA C 26 60.852 61.536 -0.684 1
1 235 . 7 1 1 A 26 26 SER HA H 26 4.030 4.054 -0.024 1
1 236 . 7 1 1 A 26 26 SER CB C 26 61.476 62.857 -1.381 1
1 238 . 7 1 1 A 26 26 SER C C 26 176.745 177.280 -0.535 1
1 240 . 7 1 1 A 27 27 SER N N 27 116.833 116.948 -0.115 1
1 241 . 7 1 1 A 27 27 SER H H 27 6.854 8.323 -1.469 1
1 242 . 7 1 1 A 27 27 SER CA C 27 60.741 62.171 -1.430 1
1 243 . 7 1 1 A 27 27 SER HA H 27 4.159 3.947 0.212 1
1 244 . 7 1 1 A 27 27 SER CB C 27 62.443 62.892 -0.449 1
1 246 . 7 1 1 A 27 27 SER C C 27 176.287 175.702 0.585 1
1 248 . 7 1 1 A 28 28 LEU N N 28 123.878 122.498 1.380 1
1 249 . 7 1 1 A 28 28 LEU H H 28 6.955 7.475 -0.520 1
1 250 . 7 1 1 A 28 28 LEU CA C 28 57.843 57.770 0.073 1
1 251 . 7 1 1 A 28 28 LEU HA H 28 3.164 3.395 -0.231 1
1 252 . 7 1 1 A 28 28 LEU CB C 28 40.011 41.562 -1.551 1
1 264 . 7 1 1 A 28 28 LEU C C 28 177.222 178.434 -1.212 1
1 266 . 7 1 1 A 29 29 THR N N 29 116.142 114.138 2.004 1
1 267 . 7 1 1 A 29 29 THR H H 29 8.071 7.564 0.507 1
1 268 . 7 1 1 A 29 29 THR CA C 29 66.739 66.573 0.166 1
1 269 . 7 1 1 A 29 29 THR HA H 29 3.894 3.806 0.088 1
1 270 . 7 1 1 A 29 29 THR CB C 29 68.480 68.513 -0.033 1
1 276 . 7 1 1 A 29 29 THR C C 29 176.872 176.509 0.363 1
1 277 . 7 1 1 A 30 30 VAL N N 30 119.927 120.658 -0.731 1
1 278 . 7 1 1 A 30 30 VAL H H 30 7.466 8.092 -0.626 1
1 279 . 7 1 1 A 30 30 VAL CA C 30 66.507 64.268 2.239 1
1 280 . 7 1 1 A 30 30 VAL HA H 30 3.515 3.781 -0.266 1
1 281 . 7 1 1 A 30 30 VAL CB C 30 32.190 31.446 0.744 1
1 291 . 7 1 1 A 30 30 VAL C C 30 178.591 177.037 1.554 1
1 292 . 7 1 1 A 31 31 HIS N N 31 120.154 121.057 -0.903 1
1 293 . 7 1 1 A 31 31 HIS H H 31 7.526 7.720 -0.194 1
1 294 . 7 1 1 A 31 31 HIS CA C 31 59.359 57.770 1.589 1
1 295 . 7 1 1 A 31 31 HIS HA H 31 4.162 4.231 -0.069 1
1 296 . 7 1 1 A 31 31 HIS CB C 31 28.537 30.015 -1.478 1
1 302 . 7 1 1 A 31 31 HIS C C 31 176.216 176.851 -0.635 1
1 304 . 7 1 1 A 32 32 GLN N N 32 114.689 118.799 -4.110 1
1 305 . 7 1 1 A 32 32 GLN H H 32 8.372 8.420 -0.048 1
1 306 . 7 1 1 A 32 32 GLN CA C 32 59.351 58.775 0.576 1
1 307 . 7 1 1 A 32 32 GLN HA H 32 3.669 3.748 -0.079 1
1 308 . 7 1 1 A 32 32 GLN CB C 32 28.390 28.631 -0.241 1
1 315 . 7 1 1 A 32 32 GLN C C 32 177.432 177.602 -0.170 1
1 318 . 7 1 1 A 33 33 ARG N N 33 117.675 118.777 -1.102 1
1 319 . 7 1 1 A 33 33 ARG H H 33 7.199 7.524 -0.325 1
1 320 . 7 1 1 A 33 33 ARG CA C 33 58.529 58.910 -0.381 1
1 321 . 7 1 1 A 33 33 ARG HA H 33 4.128 3.918 0.210 1
1 322 . 7 1 1 A 33 33 ARG CB C 33 30.081 29.908 0.173 1
1 328 . 7 1 1 A 33 33 ARG C C 33 178.711 178.455 0.256 1
1 332 . 7 1 1 A 34 34 ILE N N 34 116.218 119.391 -3.173 1
1 333 . 7 1 1 A 34 34 ILE H H 34 7.863 7.749 0.114 1
1 334 . 7 1 1 A 34 34 ILE CA C 34 63.114 65.273 -2.159 1
1 335 . 7 1 1 A 34 34 ILE HA H 34 3.948 3.512 0.436 1
1 336 . 7 1 1 A 34 34 ILE CB C 34 37.777 37.837 -0.060 1
1 348 . 7 1 1 A 34 34 ILE C C 34 177.391 177.839 -0.448 1
1 350 . 7 1 1 A 35 35 HIS N N 35 117.652 118.339 -0.687 1
1 351 . 7 1 1 A 35 35 HIS H H 35 7.196 7.637 -0.441 1
1 352 . 7 1 1 A 35 35 HIS CA C 35 55.169 59.579 -4.410 1
1 353 . 7 1 1 A 35 35 HIS HA H 35 4.838 4.298 0.540 1
1 354 . 7 1 1 A 35 35 HIS CB C 35 28.595 30.648 -2.053 1
1 360 . 7 1 1 A 35 35 HIS C C 35 175.849 175.871 -0.022 1
1 362 . 7 1 1 A 36 36 THR N N 36 111.767 112.140 -0.373 1
1 363 . 7 1 1 A 36 36 THR H H 36 7.785 7.654 0.131 1
1 364 . 7 1 1 A 36 36 THR CA C 36 62.507 60.959 1.548 1
1 365 . 7 1 1 A 36 36 THR HA H 36 4.335 4.460 -0.125 1
1 366 . 7 1 1 A 36 36 THR CB C 36 69.809 69.613 0.196 1
1 372 . 7 1 1 A 36 36 THR C C 36 175.513 174.805 0.708 1
1 373 . 7 1 1 A 37 37 GLY N N 37 110.668 110.348 0.320 1
1 374 . 7 1 1 A 37 37 GLY H H 37 8.239 7.878 0.361 1
1 375 . 7 1 1 A 37 37 GLY CA C 37 45.371 45.496 -0.125 1
1 376 . 7 1 1 A 37 37 GLY HA3 H 37 3.945 3.959 -0.014 1
1 377 . 7 1 1 A 37 37 GLY C C 37 174.036 174.520 -0.484 1
1 378 . 7 1 1 A 37 37 GLY HA2 H 37 4.006 3.945 0.061 1
1 379 . 7 1 1 A 38 38 GLU N N 38 120.549 120.102 0.447 1
1 380 . 7 1 1 A 38 38 GLU H H 38 8.080 7.543 0.537 1
1 381 . 7 1 1 A 38 38 GLU CA C 38 56.482 56.763 -0.281 1
1 382 . 7 1 1 A 38 38 GLU HA H 38 4.228 4.282 -0.054 1
1 383 . 7 1 1 A 38 38 GLU CB C 38 30.588 29.933 0.655 1
1 387 . 7 1 1 A 38 38 GLU C C 38 176.186 176.228 -0.042 1
1 390 . 7 1 1 A 39 39 LYS N N 39 123.911 122.164 1.747 1
1 391 . 7 1 1 A 39 39 LYS H H 39 8.412 8.427 -0.015 1
1 392 . 7 1 1 A 39 39 LYS CA C 39 54.143 55.172 -1.029 1
1 393 . 7 1 1 A 39 39 LYS HA H 39 4.596 4.273 0.323 1
1 394 . 7 1 1 A 39 39 LYS CB C 39 32.571 31.740 0.831 1
1 402 . 7 1 1 A 39 39 LYS C C 39 174.511 174.830 -0.319 1
1 407 . 7 1 1 A 40 40 PRO CA C 40 63.232 62.775 0.457 1
1 408 . 7 1 1 A 40 40 PRO HA H 40 4.447 4.704 -0.257 1
1 409 . 7 1 1 A 40 40 PRO CB C 40 32.194 31.839 0.355 1
1 1 . 8 1 1 A 7 7 GLY CA C 7 45.432 46.020 -0.588 1
1 2 . 8 1 1 A 7 7 GLY C C 7 174.065 171.804 2.261 1
1 3 . 8 1 1 A 8 8 ALA N N 8 123.769 125.593 -1.824 1
1 4 . 8 1 1 A 8 8 ALA H H 8 8.183 8.607 -0.424 1
1 5 . 8 1 1 A 8 8 ALA CA C 8 52.778 50.584 2.194 1
1 6 . 8 1 1 A 8 8 ALA HA H 8 4.313 5.324 -1.011 1
1 7 . 8 1 1 A 8 8 ALA CB C 8 19.382 21.932 -2.550 1
1 11 . 8 1 1 A 8 8 ALA C C 8 178.301 176.198 2.103 1
1 12 . 8 1 1 A 9 9 GLY N N 9 108.153 109.488 -1.335 1
1 13 . 8 1 1 A 9 9 GLY H H 9 8.410 8.899 -0.489 1
1 14 . 8 1 1 A 9 9 GLY CA C 9 45.309 43.532 1.777 1
1 15 . 8 1 1 A 9 9 GLY HA3 H 9 3.926 4.231 -0.305 1
1 16 . 8 1 1 A 9 9 GLY C C 9 174.030 174.816 -0.786 1
1 17 . 8 1 1 A 9 9 GLY HA2 H 9 3.926 4.231 -0.305 1
1 18 . 8 1 1 A 10 10 LYS N N 10 120.547 122.689 -2.142 1
1 19 . 8 1 1 A 10 10 LYS H H 10 8.067 8.728 -0.661 1
1 20 . 8 1 1 A 10 10 LYS CA C 10 56.267 57.097 -0.830 1
1 21 . 8 1 1 A 10 10 LYS HA H 10 4.277 3.989 0.288 1
1 22 . 8 1 1 A 10 10 LYS CB C 10 33.167 30.188 2.979 1
1 30 . 8 1 1 A 10 10 LYS C C 10 176.363 175.402 0.961 1
1 35 . 8 1 1 A 11 11 LYS N N 11 122.689 121.194 1.495 1
1 36 . 8 1 1 A 11 11 LYS H H 11 8.290 7.627 0.663 1
1 37 . 8 1 1 A 11 11 LYS CA C 11 56.098 54.925 1.173 1
1 38 . 8 1 1 A 11 11 LYS HA H 11 4.180 4.815 -0.635 1
1 39 . 8 1 1 A 11 11 LYS CB C 11 32.953 35.412 -2.459 1
1 46 . 8 1 1 A 11 11 LYS C C 11 175.249 175.451 -0.202 1
1 51 . 8 1 1 A 12 12 LEU N N 12 121.792 121.651 0.141 1
1 52 . 8 1 1 A 12 12 LEU H H 12 7.790 8.557 -0.767 1
1 53 . 8 1 1 A 12 12 LEU CA C 12 54.202 54.577 -0.375 1
1 54 . 8 1 1 A 12 12 LEU HA H 12 4.419 4.510 -0.091 1
1 55 . 8 1 1 A 12 12 LEU CB C 12 44.011 43.879 0.132 1
1 67 . 8 1 1 A 12 12 LEU C C 12 176.086 176.538 -0.452 1
1 69 . 8 1 1 A 13 13 PHE N N 13 121.077 118.352 2.725 1
1 70 . 8 1 1 A 13 13 PHE H H 13 8.628 7.698 0.930 1
1 71 . 8 1 1 A 13 13 PHE CA C 13 57.309 56.178 1.131 1
1 72 . 8 1 1 A 13 13 PHE HA H 13 4.578 5.375 -0.797 1
1 73 . 8 1 1 A 13 13 PHE CB C 13 40.107 43.182 -3.075 1
1 85 . 8 1 1 A 13 13 PHE C C 13 174.502 174.148 0.354 1
1 87 . 8 1 1 A 14 14 LYS N N 14 124.720 121.947 2.773 1
1 88 . 8 1 1 A 14 14 LYS H H 14 8.757 9.173 -0.416 1
1 89 . 8 1 1 A 14 14 LYS CA C 14 55.088 54.563 0.525 1
1 90 . 8 1 1 A 14 14 LYS HA H 14 4.866 5.160 -0.294 1
1 91 . 8 1 1 A 14 14 LYS CB C 14 35.570 36.506 -0.936 1
1 99 . 8 1 1 A 14 14 LYS C C 14 174.832 175.022 -0.190 1
1 104 . 8 1 1 A 15 15 CYS N N 15 127.003 125.792 1.211 1
1 105 . 8 1 1 A 15 15 CYS H H 15 8.884 8.805 0.079 1
1 106 . 8 1 1 A 15 15 CYS CA C 15 59.640 58.174 1.466 1
1 107 . 8 1 1 A 15 15 CYS HA H 15 4.497 4.793 -0.296 1
1 108 . 8 1 1 A 15 15 CYS CB C 15 29.562 28.760 0.802 1
1 110 . 8 1 1 A 15 15 CYS C C 15 176.310 175.746 0.564 1
1 112 . 8 1 1 A 16 16 ASN N N 16 128.404 126.170 2.234 1
1 113 . 8 1 1 A 16 16 ASN H H 16 9.250 9.031 0.219 1
1 114 . 8 1 1 A 16 16 ASN CA C 16 55.576 53.043 2.533 1
1 115 . 8 1 1 A 16 16 ASN HA H 16 4.554 4.904 -0.350 1
1 116 . 8 1 1 A 16 16 ASN CB C 16 38.591 37.871 0.720 1
1 121 . 8 1 1 A 16 16 ASN C C 16 175.713 175.562 0.151 1
1 123 . 8 1 1 A 17 17 GLU N N 17 120.824 118.223 2.601 1
1 124 . 8 1 1 A 17 17 GLU H H 17 8.813 8.041 0.772 1
1 125 . 8 1 1 A 17 17 GLU CA C 17 58.125 57.043 1.082 1
1 126 . 8 1 1 A 17 17 GLU HA H 17 4.242 4.412 -0.170 1
1 127 . 8 1 1 A 17 17 GLU CB C 17 29.807 31.928 -2.121 1
1 131 . 8 1 1 A 17 17 GLU C C 17 176.504 177.617 -1.113 1
1 134 . 8 1 1 A 18 18 CYS N N 18 116.605 114.520 2.085 1
1 135 . 8 1 1 A 18 18 CYS H H 18 7.948 7.971 -0.023 1
1 136 . 8 1 1 A 18 18 CYS CA C 18 58.408 58.051 0.357 1
1 137 . 8 1 1 A 18 18 CYS HA H 18 5.061 4.626 0.435 1
1 138 . 8 1 1 A 18 18 CYS CB C 18 31.357 28.806 2.551 1
1 140 . 8 1 1 A 18 18 CYS C C 18 175.034 174.650 0.384 1
1 142 . 8 1 1 A 19 19 LYS N N 19 115.996 115.729 0.267 1
1 143 . 8 1 1 A 19 19 LYS H H 19 8.013 7.684 0.329 1
1 144 . 8 1 1 A 19 19 LYS CA C 19 57.801 57.401 0.400 1
1 145 . 8 1 1 A 19 19 LYS HA H 19 4.131 3.879 0.252 1
1 146 . 8 1 1 A 19 19 LYS CB C 19 29.728 29.431 0.297 1
1 153 . 8 1 1 A 19 19 LYS C C 19 175.710 174.750 0.960 1
1 158 . 8 1 1 A 20 20 LYS N N 20 122.163 118.851 3.312 1
1 159 . 8 1 1 A 20 20 LYS H H 20 8.056 7.812 0.244 1
1 160 . 8 1 1 A 20 20 LYS CA C 20 58.153 54.822 3.331 1
1 161 . 8 1 1 A 20 20 LYS HA H 20 4.068 4.807 -0.739 1
1 162 . 8 1 1 A 20 20 LYS CB C 20 33.850 35.347 -1.497 1
1 170 . 8 1 1 A 20 20 LYS C C 20 175.054 175.483 -0.429 1
1 175 . 8 1 1 A 21 21 THR N N 21 111.093 112.992 -1.899 1
1 176 . 8 1 1 A 21 21 THR H H 21 7.640 8.723 -1.083 1
1 177 . 8 1 1 A 21 21 THR CA C 21 59.789 59.534 0.255 1
1 178 . 8 1 1 A 21 21 THR HA H 21 5.059 5.358 -0.299 1
1 179 . 8 1 1 A 21 21 THR CB C 21 71.613 71.807 -0.194 1
1 185 . 8 1 1 A 21 21 THR C C 21 173.193 173.575 -0.382 1
1 186 . 8 1 1 A 22 22 PHE N N 22 117.679 118.847 -1.168 1
1 187 . 8 1 1 A 22 22 PHE H H 22 8.794 8.946 -0.152 1
1 188 . 8 1 1 A 22 22 PHE CA C 22 56.872 56.663 0.209 1
1 189 . 8 1 1 A 22 22 PHE HA H 22 4.857 4.960 -0.103 1
1 190 . 8 1 1 A 22 22 PHE CB C 22 43.851 43.226 0.625 1
1 202 . 8 1 1 A 22 22 PHE C C 22 175.647 175.216 0.431 1
1 204 . 8 1 1 A 23 23 THR N N 23 111.367 118.985 -7.618 1
1 205 . 8 1 1 A 23 23 THR H H 23 8.994 8.646 0.348 1
1 206 . 8 1 1 A 23 23 THR CA C 23 62.862 62.697 0.165 1
1 207 . 8 1 1 A 23 23 THR HA H 23 4.704 4.481 0.223 1
1 208 . 8 1 1 A 23 23 THR CB C 23 69.427 68.767 0.660 1
1 214 . 8 1 1 A 23 23 THR C C 23 174.807 173.891 0.916 1
1 215 . 8 1 1 A 24 24 GLN N N 24 116.885 121.575 -4.690 1
1 216 . 8 1 1 A 24 24 GLN H H 24 7.420 7.742 -0.322 1
1 217 . 8 1 1 A 24 24 GLN CA C 24 54.233 54.667 -0.434 1
1 218 . 8 1 1 A 24 24 GLN HA H 24 4.695 4.707 -0.012 1
1 219 . 8 1 1 A 24 24 GLN CB C 24 32.047 31.401 0.646 1
1 226 . 8 1 1 A 24 24 GLN C C 24 175.738 175.976 -0.238 1
1 229 . 8 1 1 A 25 25 SER CA C 25 60.953 62.358 -1.405 1
1 230 . 8 1 1 A 25 25 SER HA H 25 3.007 4.279 -1.272 1
1 231 . 8 1 1 A 25 25 SER CB C 25 61.858 62.827 -0.969 1
1 234 . 8 1 1 A 26 26 SER CA C 26 60.852 61.120 -0.268 1
1 235 . 8 1 1 A 26 26 SER HA H 26 4.030 4.148 -0.118 1
1 236 . 8 1 1 A 26 26 SER CB C 26 61.476 62.951 -1.475 1
1 238 . 8 1 1 A 26 26 SER C C 26 176.745 176.610 0.135 1
1 240 . 8 1 1 A 27 27 SER N N 27 116.833 118.795 -1.962 1
1 241 . 8 1 1 A 27 27 SER H H 27 6.854 8.241 -1.387 1
1 242 . 8 1 1 A 27 27 SER CA C 27 60.741 62.354 -1.613 1
1 243 . 8 1 1 A 27 27 SER HA H 27 4.159 4.052 0.107 1
1 244 . 8 1 1 A 27 27 SER CB C 27 62.443 63.186 -0.743 1
1 246 . 8 1 1 A 27 27 SER C C 27 176.287 175.903 0.384 1
1 248 . 8 1 1 A 28 28 LEU N N 28 123.878 122.571 1.307 1
1 249 . 8 1 1 A 28 28 LEU H H 28 6.955 7.879 -0.924 1
1 250 . 8 1 1 A 28 28 LEU CA C 28 57.843 57.854 -0.011 1
1 251 . 8 1 1 A 28 28 LEU HA H 28 3.164 3.176 -0.012 1
1 252 . 8 1 1 A 28 28 LEU CB C 28 40.011 41.974 -1.963 1
1 264 . 8 1 1 A 28 28 LEU C C 28 177.222 178.409 -1.187 1
1 266 . 8 1 1 A 29 29 THR N N 29 116.142 114.055 2.087 1
1 267 . 8 1 1 A 29 29 THR H H 29 8.071 7.670 0.401 1
1 268 . 8 1 1 A 29 29 THR CA C 29 66.739 66.467 0.272 1
1 269 . 8 1 1 A 29 29 THR HA H 29 3.894 3.770 0.124 1
1 270 . 8 1 1 A 29 29 THR CB C 29 68.480 68.414 0.066 1
1 276 . 8 1 1 A 29 29 THR C C 29 176.872 176.237 0.635 1
1 277 . 8 1 1 A 30 30 VAL N N 30 119.927 120.142 -0.215 1
1 278 . 8 1 1 A 30 30 VAL H H 30 7.466 7.892 -0.426 1
1 279 . 8 1 1 A 30 30 VAL CA C 30 66.507 65.362 1.145 1
1 280 . 8 1 1 A 30 30 VAL HA H 30 3.515 3.593 -0.078 1
1 281 . 8 1 1 A 30 30 VAL CB C 30 32.190 31.206 0.984 1
1 291 . 8 1 1 A 30 30 VAL C C 30 178.591 177.521 1.070 1
1 292 . 8 1 1 A 31 31 HIS N N 31 120.154 120.609 -0.455 1
1 293 . 8 1 1 A 31 31 HIS H H 31 7.526 7.797 -0.271 1
1 294 . 8 1 1 A 31 31 HIS CA C 31 59.359 59.179 0.180 1
1 295 . 8 1 1 A 31 31 HIS HA H 31 4.162 3.995 0.167 1
1 296 . 8 1 1 A 31 31 HIS CB C 31 28.537 29.450 -0.913 1
1 302 . 8 1 1 A 31 31 HIS C C 31 176.216 177.444 -1.228 1
1 304 . 8 1 1 A 32 32 GLN N N 32 114.689 118.133 -3.444 1
1 305 . 8 1 1 A 32 32 GLN H H 32 8.372 8.354 0.018 1
1 306 . 8 1 1 A 32 32 GLN CA C 32 59.351 59.340 0.011 1
1 307 . 8 1 1 A 32 32 GLN HA H 32 3.669 3.392 0.277 1
1 308 . 8 1 1 A 32 32 GLN CB C 32 28.390 28.299 0.091 1
1 315 . 8 1 1 A 32 32 GLN C C 32 177.432 178.966 -1.534 1
1 318 . 8 1 1 A 33 33 ARG N N 33 117.675 119.284 -1.609 1
1 319 . 8 1 1 A 33 33 ARG H H 33 7.199 7.351 -0.152 1
1 320 . 8 1 1 A 33 33 ARG CA C 33 58.529 59.028 -0.499 1
1 321 . 8 1 1 A 33 33 ARG HA H 33 4.128 4.027 0.101 1
1 322 . 8 1 1 A 33 33 ARG CB C 33 30.081 29.901 0.180 1
1 328 . 8 1 1 A 33 33 ARG C C 33 178.711 178.325 0.386 1
1 332 . 8 1 1 A 34 34 ILE N N 34 116.218 119.790 -3.572 1
1 333 . 8 1 1 A 34 34 ILE H H 34 7.863 7.573 0.290 1
1 334 . 8 1 1 A 34 34 ILE CA C 34 63.114 65.229 -2.115 1
1 335 . 8 1 1 A 34 34 ILE HA H 34 3.948 3.674 0.274 1
1 336 . 8 1 1 A 34 34 ILE CB C 34 37.777 37.550 0.227 1
1 348 . 8 1 1 A 34 34 ILE C C 34 177.391 177.858 -0.467 1
1 350 . 8 1 1 A 35 35 HIS N N 35 117.652 119.739 -2.087 1
1 351 . 8 1 1 A 35 35 HIS H H 35 7.196 7.517 -0.321 1
1 352 . 8 1 1 A 35 35 HIS CA C 35 55.169 60.011 -4.842 1
1 353 . 8 1 1 A 35 35 HIS HA H 35 4.838 4.271 0.567 1
1 354 . 8 1 1 A 35 35 HIS CB C 35 28.595 30.374 -1.779 1
1 360 . 8 1 1 A 35 35 HIS C C 35 175.849 178.565 -2.716 1
1 362 . 8 1 1 A 36 36 THR N N 36 111.767 113.322 -1.555 1
1 363 . 8 1 1 A 36 36 THR H H 36 7.785 8.008 -0.223 1
1 364 . 8 1 1 A 36 36 THR CA C 36 62.507 65.217 -2.710 1
1 365 . 8 1 1 A 36 36 THR HA H 36 4.335 4.022 0.313 1
1 366 . 8 1 1 A 36 36 THR CB C 36 69.809 68.046 1.763 1
1 372 . 8 1 1 A 36 36 THR C C 36 175.513 175.888 -0.375 1
1 373 . 8 1 1 A 37 37 GLY N N 37 110.668 108.010 2.658 1
1 374 . 8 1 1 A 37 37 GLY H H 37 8.239 8.184 0.055 1
1 375 . 8 1 1 A 37 37 GLY CA C 37 45.371 45.453 -0.082 1
1 376 . 8 1 1 A 37 37 GLY HA3 H 37 3.945 3.828 0.117 1
1 377 . 8 1 1 A 37 37 GLY C C 37 174.036 173.529 0.507 1
1 378 . 8 1 1 A 37 37 GLY HA2 H 37 4.006 3.821 0.185 1
1 379 . 8 1 1 A 38 38 GLU N N 38 120.549 118.293 2.256 1
1 380 . 8 1 1 A 38 38 GLU H H 38 8.080 7.614 0.466 1
1 381 . 8 1 1 A 38 38 GLU CA C 38 56.482 54.356 2.126 1
1 382 . 8 1 1 A 38 38 GLU HA H 38 4.228 4.887 -0.659 1
1 383 . 8 1 1 A 38 38 GLU CB C 38 30.588 34.054 -3.466 1
1 387 . 8 1 1 A 38 38 GLU C C 38 176.186 175.884 0.302 1
1 390 . 8 1 1 A 39 39 LYS N N 39 123.911 122.428 1.483 1
1 391 . 8 1 1 A 39 39 LYS H H 39 8.412 8.227 0.185 1
1 392 . 8 1 1 A 39 39 LYS CA C 39 54.143 55.039 -0.896 1
1 393 . 8 1 1 A 39 39 LYS HA H 39 4.596 4.382 0.214 1
1 394 . 8 1 1 A 39 39 LYS CB C 39 32.571 32.644 -0.073 1
1 402 . 8 1 1 A 39 39 LYS C C 39 174.511 175.635 -1.124 1
1 407 . 8 1 1 A 40 40 PRO CA C 40 63.232 62.745 0.487 1
1 408 . 8 1 1 A 40 40 PRO HA H 40 4.447 4.728 -0.281 1
1 409 . 8 1 1 A 40 40 PRO CB C 40 32.194 31.658 0.536 1
1 1 . 9 1 1 A 7 7 GLY CA C 7 45.432 45.974 -0.542 1
1 2 . 9 1 1 A 7 7 GLY C C 7 174.065 172.949 1.116 1
1 3 . 9 1 1 A 8 8 ALA N N 8 123.769 122.017 1.752 1
1 4 . 9 1 1 A 8 8 ALA H H 8 8.183 8.125 0.058 1
1 5 . 9 1 1 A 8 8 ALA CA C 8 52.778 51.325 1.453 1
1 6 . 9 1 1 A 8 8 ALA HA H 8 4.313 4.616 -0.303 1
1 7 . 9 1 1 A 8 8 ALA CB C 8 19.382 19.589 -0.207 1
1 11 . 9 1 1 A 8 8 ALA C C 8 178.301 176.933 1.368 1
1 12 . 9 1 1 A 9 9 GLY N N 9 108.153 105.634 2.519 1
1 13 . 9 1 1 A 9 9 GLY H H 9 8.410 7.679 0.731 1
1 14 . 9 1 1 A 9 9 GLY CA C 9 45.309 44.760 0.549 1
1 15 . 9 1 1 A 9 9 GLY HA3 H 9 3.926 4.122 -0.196 1
1 16 . 9 1 1 A 9 9 GLY C C 9 174.030 174.449 -0.419 1
1 17 . 9 1 1 A 9 9 GLY HA2 H 9 3.926 4.120 -0.194 1
1 18 . 9 1 1 A 10 10 LYS N N 10 120.547 121.582 -1.035 1
1 19 . 9 1 1 A 10 10 LYS H H 10 8.067 8.732 -0.665 1
1 20 . 9 1 1 A 10 10 LYS CA C 10 56.267 57.179 -0.912 1
1 21 . 9 1 1 A 10 10 LYS HA H 10 4.277 4.480 -0.203 1
1 22 . 9 1 1 A 10 10 LYS CB C 10 33.167 34.198 -1.031 1
1 30 . 9 1 1 A 10 10 LYS C C 10 176.363 176.200 0.163 1
1 35 . 9 1 1 A 11 11 LYS N N 11 122.689 120.255 2.434 1
1 36 . 9 1 1 A 11 11 LYS H H 11 8.290 7.652 0.638 1
1 37 . 9 1 1 A 11 11 LYS CA C 11 56.098 56.392 -0.294 1
1 38 . 9 1 1 A 11 11 LYS HA H 11 4.180 4.329 -0.149 1
1 39 . 9 1 1 A 11 11 LYS CB C 11 32.953 33.614 -0.661 1
1 46 . 9 1 1 A 11 11 LYS C C 11 175.249 176.294 -1.045 1
1 51 . 9 1 1 A 12 12 LEU N N 12 121.792 121.513 0.279 1
1 52 . 9 1 1 A 12 12 LEU H H 12 7.790 8.846 -1.056 1
1 53 . 9 1 1 A 12 12 LEU CA C 12 54.202 54.720 -0.518 1
1 54 . 9 1 1 A 12 12 LEU HA H 12 4.419 4.705 -0.286 1
1 55 . 9 1 1 A 12 12 LEU CB C 12 44.011 44.536 -0.525 1
1 67 . 9 1 1 A 12 12 LEU C C 12 176.086 176.767 -0.681 1
1 69 . 9 1 1 A 13 13 PHE N N 13 121.077 118.463 2.614 1
1 70 . 9 1 1 A 13 13 PHE H H 13 8.628 8.063 0.565 1
1 71 . 9 1 1 A 13 13 PHE CA C 13 57.309 56.170 1.139 1
1 72 . 9 1 1 A 13 13 PHE HA H 13 4.578 5.370 -0.792 1
1 73 . 9 1 1 A 13 13 PHE CB C 13 40.107 43.489 -3.382 1
1 85 . 9 1 1 A 13 13 PHE C C 13 174.502 174.053 0.449 1
1 87 . 9 1 1 A 14 14 LYS N N 14 124.720 122.078 2.642 1
1 88 . 9 1 1 A 14 14 LYS H H 14 8.757 8.912 -0.155 1
1 89 . 9 1 1 A 14 14 LYS CA C 14 55.088 54.895 0.193 1
1 90 . 9 1 1 A 14 14 LYS HA H 14 4.866 5.024 -0.158 1
1 91 . 9 1 1 A 14 14 LYS CB C 14 35.570 36.322 -0.752 1
1 99 . 9 1 1 A 14 14 LYS C C 14 174.832 174.900 -0.068 1
1 104 . 9 1 1 A 15 15 CYS N N 15 127.003 126.063 0.940 1
1 105 . 9 1 1 A 15 15 CYS H H 15 8.884 8.756 0.128 1
1 106 . 9 1 1 A 15 15 CYS CA C 15 59.640 58.694 0.946 1
1 107 . 9 1 1 A 15 15 CYS HA H 15 4.497 4.731 -0.234 1
1 108 . 9 1 1 A 15 15 CYS CB C 15 29.562 27.970 1.592 1
1 110 . 9 1 1 A 15 15 CYS C C 15 176.310 175.791 0.519 1
1 112 . 9 1 1 A 16 16 ASN N N 16 128.404 126.273 2.131 1
1 113 . 9 1 1 A 16 16 ASN H H 16 9.250 8.759 0.491 1
1 114 . 9 1 1 A 16 16 ASN CA C 16 55.576 53.102 2.474 1
1 115 . 9 1 1 A 16 16 ASN HA H 16 4.554 4.905 -0.351 1
1 116 . 9 1 1 A 16 16 ASN CB C 16 38.591 37.926 0.665 1
1 121 . 9 1 1 A 16 16 ASN C C 16 175.713 175.591 0.122 1
1 123 . 9 1 1 A 17 17 GLU N N 17 120.824 118.391 2.433 1
1 124 . 9 1 1 A 17 17 GLU H H 17 8.813 7.973 0.840 1
1 125 . 9 1 1 A 17 17 GLU CA C 17 58.125 56.763 1.362 1
1 126 . 9 1 1 A 17 17 GLU HA H 17 4.242 4.391 -0.149 1
1 127 . 9 1 1 A 17 17 GLU CB C 17 29.807 31.950 -2.143 1
1 131 . 9 1 1 A 17 17 GLU C C 17 176.504 177.668 -1.164 1
1 134 . 9 1 1 A 18 18 CYS N N 18 116.605 114.339 2.266 1
1 135 . 9 1 1 A 18 18 CYS H H 18 7.948 7.923 0.025 1
1 136 . 9 1 1 A 18 18 CYS CA C 18 58.408 58.367 0.041 1
1 137 . 9 1 1 A 18 18 CYS HA H 18 5.061 4.566 0.495 1
1 138 . 9 1 1 A 18 18 CYS CB C 18 31.357 29.765 1.592 1
1 140 . 9 1 1 A 18 18 CYS C C 18 175.034 174.658 0.376 1
1 142 . 9 1 1 A 19 19 LYS N N 19 115.996 116.745 -0.749 1
1 143 . 9 1 1 A 19 19 LYS H H 19 8.013 7.768 0.245 1
1 144 . 9 1 1 A 19 19 LYS CA C 19 57.801 57.295 0.506 1
1 145 . 9 1 1 A 19 19 LYS HA H 19 4.131 3.876 0.255 1
1 146 . 9 1 1 A 19 19 LYS CB C 19 29.728 29.473 0.255 1
1 153 . 9 1 1 A 19 19 LYS C C 19 175.710 174.996 0.714 1
1 158 . 9 1 1 A 20 20 LYS N N 20 122.163 118.484 3.679 1
1 159 . 9 1 1 A 20 20 LYS H H 20 8.056 7.759 0.297 1
1 160 . 9 1 1 A 20 20 LYS CA C 20 58.153 55.131 3.022 1
1 161 . 9 1 1 A 20 20 LYS HA H 20 4.068 4.903 -0.835 1
1 162 . 9 1 1 A 20 20 LYS CB C 20 33.850 36.174 -2.324 1
1 170 . 9 1 1 A 20 20 LYS C C 20 175.054 174.381 0.673 1
1 175 . 9 1 1 A 21 21 THR N N 21 111.093 112.904 -1.811 1
1 176 . 9 1 1 A 21 21 THR H H 21 7.640 8.323 -0.683 1
1 177 . 9 1 1 A 21 21 THR CA C 21 59.789 60.309 -0.520 1
1 178 . 9 1 1 A 21 21 THR HA H 21 5.059 5.321 -0.262 1
1 179 . 9 1 1 A 21 21 THR CB C 21 71.613 72.190 -0.577 1
1 185 . 9 1 1 A 21 21 THR C C 21 173.193 172.325 0.868 1
1 186 . 9 1 1 A 22 22 PHE N N 22 117.679 117.506 0.173 1
1 187 . 9 1 1 A 22 22 PHE H H 22 8.794 8.751 0.043 1
1 188 . 9 1 1 A 22 22 PHE CA C 22 56.872 56.634 0.238 1
1 189 . 9 1 1 A 22 22 PHE HA H 22 4.857 4.885 -0.028 1
1 190 . 9 1 1 A 22 22 PHE CB C 22 43.851 42.273 1.578 1
1 202 . 9 1 1 A 22 22 PHE C C 22 175.647 175.789 -0.142 1
1 204 . 9 1 1 A 23 23 THR N N 23 111.367 118.211 -6.844 1
1 205 . 9 1 1 A 23 23 THR H H 23 8.994 8.809 0.185 1
1 206 . 9 1 1 A 23 23 THR CA C 23 62.862 65.079 -2.217 1
1 207 . 9 1 1 A 23 23 THR HA H 23 4.704 4.108 0.596 1
1 208 . 9 1 1 A 23 23 THR CB C 23 69.427 68.944 0.483 1
1 214 . 9 1 1 A 23 23 THR C C 23 174.807 173.592 1.215 1
1 215 . 9 1 1 A 24 24 GLN N N 24 116.885 118.446 -1.561 1
1 216 . 9 1 1 A 24 24 GLN H H 24 7.420 7.987 -0.567 1
1 217 . 9 1 1 A 24 24 GLN CA C 24 54.233 54.314 -0.081 1
1 218 . 9 1 1 A 24 24 GLN HA H 24 4.695 4.657 0.038 1
1 219 . 9 1 1 A 24 24 GLN CB C 24 32.047 31.488 0.559 1
1 226 . 9 1 1 A 24 24 GLN C C 24 175.738 176.030 -0.292 1
1 229 . 9 1 1 A 25 25 SER CA C 25 60.953 60.620 0.333 1
1 230 . 9 1 1 A 25 25 SER HA H 25 3.007 3.801 -0.794 1
1 231 . 9 1 1 A 25 25 SER CB C 25 61.858 62.661 -0.803 1
1 234 . 9 1 1 A 26 26 SER CA C 26 60.852 61.174 -0.322 1
1 235 . 9 1 1 A 26 26 SER HA H 26 4.030 4.044 -0.014 1
1 236 . 9 1 1 A 26 26 SER CB C 26 61.476 62.912 -1.436 1
1 238 . 9 1 1 A 26 26 SER C C 26 176.745 176.086 0.659 1
1 240 . 9 1 1 A 27 27 SER N N 27 116.833 116.313 0.520 1
1 241 . 9 1 1 A 27 27 SER H H 27 6.854 7.736 -0.882 1
1 242 . 9 1 1 A 27 27 SER CA C 27 60.741 61.182 -0.441 1
1 243 . 9 1 1 A 27 27 SER HA H 27 4.159 3.989 0.170 1
1 244 . 9 1 1 A 27 27 SER CB C 27 62.443 62.764 -0.321 1
1 246 . 9 1 1 A 27 27 SER C C 27 176.287 176.828 -0.541 1
1 248 . 9 1 1 A 28 28 LEU N N 28 123.878 122.622 1.256 1
1 249 . 9 1 1 A 28 28 LEU H H 28 6.955 7.282 -0.327 1
1 250 . 9 1 1 A 28 28 LEU CA C 28 57.843 57.925 -0.082 1
1 251 . 9 1 1 A 28 28 LEU HA H 28 3.164 3.679 -0.515 1
1 252 . 9 1 1 A 28 28 LEU CB C 28 40.011 41.840 -1.829 1
1 264 . 9 1 1 A 28 28 LEU C C 28 177.222 178.635 -1.413 1
1 266 . 9 1 1 A 29 29 THR N N 29 116.142 114.269 1.873 1
1 267 . 9 1 1 A 29 29 THR H H 29 8.071 7.671 0.400 1
1 268 . 9 1 1 A 29 29 THR CA C 29 66.739 66.604 0.135 1
1 269 . 9 1 1 A 29 29 THR HA H 29 3.894 3.909 -0.015 1
1 270 . 9 1 1 A 29 29 THR CB C 29 68.480 68.536 -0.056 1
1 276 . 9 1 1 A 29 29 THR C C 29 176.872 176.561 0.311 1
1 277 . 9 1 1 A 30 30 VAL N N 30 119.927 120.452 -0.525 1
1 278 . 9 1 1 A 30 30 VAL H H 30 7.466 7.793 -0.327 1
1 279 . 9 1 1 A 30 30 VAL CA C 30 66.507 64.327 2.180 1
1 280 . 9 1 1 A 30 30 VAL HA H 30 3.515 3.807 -0.292 1
1 281 . 9 1 1 A 30 30 VAL CB C 30 32.190 31.473 0.717 1
1 291 . 9 1 1 A 30 30 VAL C C 30 178.591 177.063 1.528 1
1 292 . 9 1 1 A 31 31 HIS N N 31 120.154 121.332 -1.178 1
1 293 . 9 1 1 A 31 31 HIS H H 31 7.526 7.766 -0.240 1
1 294 . 9 1 1 A 31 31 HIS CA C 31 59.359 58.334 1.025 1
1 295 . 9 1 1 A 31 31 HIS HA H 31 4.162 4.153 0.009 1
1 296 . 9 1 1 A 31 31 HIS CB C 31 28.537 30.056 -1.519 1
1 302 . 9 1 1 A 31 31 HIS C C 31 176.216 177.003 -0.787 1
1 304 . 9 1 1 A 32 32 GLN N N 32 114.689 118.319 -3.630 1
1 305 . 9 1 1 A 32 32 GLN H H 32 8.372 8.320 0.052 1
1 306 . 9 1 1 A 32 32 GLN CA C 32 59.351 58.520 0.831 1
1 307 . 9 1 1 A 32 32 GLN HA H 32 3.669 3.804 -0.135 1
1 308 . 9 1 1 A 32 32 GLN CB C 32 28.390 28.399 -0.009 1
1 315 . 9 1 1 A 32 32 GLN C C 32 177.432 178.212 -0.780 1
1 318 . 9 1 1 A 33 33 ARG N N 33 117.675 117.524 0.151 1
1 319 . 9 1 1 A 33 33 ARG H H 33 7.199 8.059 -0.860 1
1 320 . 9 1 1 A 33 33 ARG CA C 33 58.529 58.582 -0.053 1
1 321 . 9 1 1 A 33 33 ARG HA H 33 4.128 4.247 -0.119 1
1 322 . 9 1 1 A 33 33 ARG CB C 33 30.081 29.492 0.589 1
1 328 . 9 1 1 A 33 33 ARG C C 33 178.711 178.330 0.381 1
1 332 . 9 1 1 A 34 34 ILE N N 34 116.218 121.301 -5.083 1
1 333 . 9 1 1 A 34 34 ILE H H 34 7.863 7.723 0.140 1
1 334 . 9 1 1 A 34 34 ILE CA C 34 63.114 65.076 -1.962 1
1 335 . 9 1 1 A 34 34 ILE HA H 34 3.948 3.565 0.383 1
1 336 . 9 1 1 A 34 34 ILE CB C 34 37.777 37.654 0.123 1
1 348 . 9 1 1 A 34 34 ILE C C 34 177.391 177.833 -0.442 1
1 350 . 9 1 1 A 35 35 HIS N N 35 117.652 118.919 -1.267 1
1 351 . 9 1 1 A 35 35 HIS H H 35 7.196 7.648 -0.452 1
1 352 . 9 1 1 A 35 35 HIS CA C 35 55.169 59.499 -4.330 1
1 353 . 9 1 1 A 35 35 HIS HA H 35 4.838 4.520 0.318 1
1 354 . 9 1 1 A 35 35 HIS CB C 35 28.595 29.817 -1.222 1
1 360 . 9 1 1 A 35 35 HIS C C 35 175.849 176.477 -0.628 1
1 362 . 9 1 1 A 36 36 THR N N 36 111.767 111.277 0.490 1
1 363 . 9 1 1 A 36 36 THR H H 36 7.785 7.400 0.385 1
1 364 . 9 1 1 A 36 36 THR CA C 36 62.507 64.305 -1.798 1
1 365 . 9 1 1 A 36 36 THR HA H 36 4.335 4.106 0.229 1
1 366 . 9 1 1 A 36 36 THR CB C 36 69.809 69.054 0.755 1
1 372 . 9 1 1 A 36 36 THR C C 36 175.513 176.615 -1.102 1
1 373 . 9 1 1 A 37 37 GLY N N 37 110.668 109.364 1.304 1
1 374 . 9 1 1 A 37 37 GLY H H 37 8.239 8.087 0.152 1
1 375 . 9 1 1 A 37 37 GLY CA C 37 45.371 46.771 -1.400 1
1 376 . 9 1 1 A 37 37 GLY HA3 H 37 3.945 3.869 0.076 1
1 377 . 9 1 1 A 37 37 GLY C C 37 174.036 174.519 -0.483 1
1 378 . 9 1 1 A 37 37 GLY HA2 H 37 4.006 3.860 0.146 1
1 379 . 9 1 1 A 38 38 GLU N N 38 120.549 117.878 2.671 1
1 380 . 9 1 1 A 38 38 GLU H H 38 8.080 7.903 0.177 1
1 381 . 9 1 1 A 38 38 GLU CA C 38 56.482 56.711 -0.229 1
1 382 . 9 1 1 A 38 38 GLU HA H 38 4.228 4.276 -0.048 1
1 383 . 9 1 1 A 38 38 GLU CB C 38 30.588 29.972 0.616 1
1 387 . 9 1 1 A 38 38 GLU C C 38 176.186 176.748 -0.562 1
1 390 . 9 1 1 A 39 39 LYS N N 39 123.911 122.059 1.852 1
1 391 . 9 1 1 A 39 39 LYS H H 39 8.412 8.885 -0.473 1
1 392 . 9 1 1 A 39 39 LYS CA C 39 54.143 53.605 0.538 1
1 393 . 9 1 1 A 39 39 LYS HA H 39 4.596 4.973 -0.377 1
1 394 . 9 1 1 A 39 39 LYS CB C 39 32.571 35.720 -3.149 1
1 402 . 9 1 1 A 39 39 LYS C C 39 174.511 173.696 0.815 1
1 407 . 9 1 1 A 40 40 PRO CA C 40 63.232 62.667 0.565 1
1 408 . 9 1 1 A 40 40 PRO HA H 40 4.447 4.706 -0.259 1
1 409 . 9 1 1 A 40 40 PRO CB C 40 32.194 30.433 1.761 1
1 1 . 10 1 1 A 7 7 GLY CA C 7 45.432 45.495 -0.063 1
1 2 . 10 1 1 A 7 7 GLY C C 7 174.065 172.553 1.512 1
1 3 . 10 1 1 A 8 8 ALA N N 8 123.769 123.293 0.476 1
1 4 . 10 1 1 A 8 8 ALA H H 8 8.183 8.185 -0.002 1
1 5 . 10 1 1 A 8 8 ALA CA C 8 52.778 51.113 1.665 1
1 6 . 10 1 1 A 8 8 ALA HA H 8 4.313 5.023 -0.710 1
1 7 . 10 1 1 A 8 8 ALA CB C 8 19.382 23.076 -3.694 1
1 11 . 10 1 1 A 8 8 ALA C C 8 178.301 176.046 2.255 1
1 12 . 10 1 1 A 9 9 GLY N N 9 108.153 105.646 2.507 1
1 13 . 10 1 1 A 9 9 GLY H H 9 8.410 8.267 0.143 1
1 14 . 10 1 1 A 9 9 GLY CA C 9 45.309 46.012 -0.703 1
1 15 . 10 1 1 A 9 9 GLY HA3 H 9 3.926 4.187 -0.261 1
1 16 . 10 1 1 A 9 9 GLY C C 9 174.030 173.451 0.579 1
1 17 . 10 1 1 A 9 9 GLY HA2 H 9 3.926 4.186 -0.260 1
1 18 . 10 1 1 A 10 10 LYS N N 10 120.547 122.790 -2.243 1
1 19 . 10 1 1 A 10 10 LYS H H 10 8.067 8.388 -0.321 1
1 20 . 10 1 1 A 10 10 LYS CA C 10 56.267 56.842 -0.575 1
1 21 . 10 1 1 A 10 10 LYS HA H 10 4.277 4.483 -0.206 1
1 22 . 10 1 1 A 10 10 LYS CB C 10 33.167 34.692 -1.525 1
1 30 . 10 1 1 A 10 10 LYS C C 10 176.363 176.325 0.038 1
1 35 . 10 1 1 A 11 11 LYS N N 11 122.689 120.302 2.387 1
1 36 . 10 1 1 A 11 11 LYS H H 11 8.290 7.529 0.761 1
1 37 . 10 1 1 A 11 11 LYS CA C 11 56.098 57.076 -0.978 1
1 38 . 10 1 1 A 11 11 LYS HA H 11 4.180 4.039 0.141 1
1 39 . 10 1 1 A 11 11 LYS CB C 11 32.953 33.149 -0.196 1
1 46 . 10 1 1 A 11 11 LYS C C 11 175.249 176.294 -1.045 1
1 51 . 10 1 1 A 12 12 LEU N N 12 121.792 122.835 -1.043 1
1 52 . 10 1 1 A 12 12 LEU H H 12 7.790 8.673 -0.883 1
1 53 . 10 1 1 A 12 12 LEU CA C 12 54.202 54.634 -0.432 1
1 54 . 10 1 1 A 12 12 LEU HA H 12 4.419 4.481 -0.062 1
1 55 . 10 1 1 A 12 12 LEU CB C 12 44.011 43.330 0.681 1
1 67 . 10 1 1 A 12 12 LEU C C 12 176.086 176.712 -0.626 1
1 69 . 10 1 1 A 13 13 PHE N N 13 121.077 118.469 2.608 1
1 70 . 10 1 1 A 13 13 PHE H H 13 8.628 7.677 0.951 1
1 71 . 10 1 1 A 13 13 PHE CA C 13 57.309 56.332 0.977 1
1 72 . 10 1 1 A 13 13 PHE HA H 13 4.578 5.336 -0.758 1
1 73 . 10 1 1 A 13 13 PHE CB C 13 40.107 43.323 -3.216 1
1 85 . 10 1 1 A 13 13 PHE C C 13 174.502 174.136 0.366 1
1 87 . 10 1 1 A 14 14 LYS N N 14 124.720 122.593 2.127 1
1 88 . 10 1 1 A 14 14 LYS H H 14 8.757 9.070 -0.313 1
1 89 . 10 1 1 A 14 14 LYS CA C 14 55.088 54.835 0.253 1
1 90 . 10 1 1 A 14 14 LYS HA H 14 4.866 5.019 -0.153 1
1 91 . 10 1 1 A 14 14 LYS CB C 14 35.570 35.455 0.115 1
1 99 . 10 1 1 A 14 14 LYS C C 14 174.832 174.936 -0.104 1
1 104 . 10 1 1 A 15 15 CYS N N 15 127.003 126.655 0.348 1
1 105 . 10 1 1 A 15 15 CYS H H 15 8.884 8.988 -0.104 1
1 106 . 10 1 1 A 15 15 CYS CA C 15 59.640 59.136 0.504 1
1 107 . 10 1 1 A 15 15 CYS HA H 15 4.497 4.638 -0.141 1
1 108 . 10 1 1 A 15 15 CYS CB C 15 29.562 28.166 1.396 1
1 110 . 10 1 1 A 15 15 CYS C C 15 176.310 175.889 0.421 1
1 112 . 10 1 1 A 16 16 ASN N N 16 128.404 125.680 2.724 1
1 113 . 10 1 1 A 16 16 ASN H H 16 9.250 9.021 0.229 1
1 114 . 10 1 1 A 16 16 ASN CA C 16 55.576 53.824 1.752 1
1 115 . 10 1 1 A 16 16 ASN HA H 16 4.554 4.860 -0.306 1
1 116 . 10 1 1 A 16 16 ASN CB C 16 38.591 38.678 -0.087 1
1 121 . 10 1 1 A 16 16 ASN C C 16 175.713 175.528 0.185 1
1 123 . 10 1 1 A 17 17 GLU N N 17 120.824 116.978 3.846 1
1 124 . 10 1 1 A 17 17 GLU H H 17 8.813 7.742 1.071 1
1 125 . 10 1 1 A 17 17 GLU CA C 17 58.125 57.094 1.031 1
1 126 . 10 1 1 A 17 17 GLU HA H 17 4.242 4.320 -0.078 1
1 127 . 10 1 1 A 17 17 GLU CB C 17 29.807 30.797 -0.990 1
1 131 . 10 1 1 A 17 17 GLU C C 17 176.504 177.686 -1.182 1
1 134 . 10 1 1 A 18 18 CYS N N 18 116.605 114.226 2.379 1
1 135 . 10 1 1 A 18 18 CYS H H 18 7.948 7.800 0.148 1
1 136 . 10 1 1 A 18 18 CYS CA C 18 58.408 58.349 0.059 1
1 137 . 10 1 1 A 18 18 CYS HA H 18 5.061 4.598 0.463 1
1 138 . 10 1 1 A 18 18 CYS CB C 18 31.357 29.351 2.006 1
1 140 . 10 1 1 A 18 18 CYS C C 18 175.034 174.664 0.370 1
1 142 . 10 1 1 A 19 19 LYS N N 19 115.996 116.539 -0.543 1
1 143 . 10 1 1 A 19 19 LYS H H 19 8.013 7.842 0.171 1
1 144 . 10 1 1 A 19 19 LYS CA C 19 57.801 57.377 0.424 1
1 145 . 10 1 1 A 19 19 LYS HA H 19 4.131 4.037 0.094 1
1 146 . 10 1 1 A 19 19 LYS CB C 19 29.728 29.367 0.361 1
1 153 . 10 1 1 A 19 19 LYS C C 19 175.710 174.940 0.770 1
1 158 . 10 1 1 A 20 20 LYS N N 20 122.163 118.468 3.695 1
1 159 . 10 1 1 A 20 20 LYS H H 20 8.056 7.745 0.311 1
1 160 . 10 1 1 A 20 20 LYS CA C 20 58.153 54.755 3.398 1
1 161 . 10 1 1 A 20 20 LYS HA H 20 4.068 4.918 -0.850 1
1 162 . 10 1 1 A 20 20 LYS CB C 20 33.850 36.344 -2.494 1
1 170 . 10 1 1 A 20 20 LYS C C 20 175.054 174.704 0.350 1
1 175 . 10 1 1 A 21 21 THR N N 21 111.093 117.294 -6.201 1
1 176 . 10 1 1 A 21 21 THR H H 21 7.640 8.669 -1.029 1
1 177 . 10 1 1 A 21 21 THR CA C 21 59.789 60.480 -0.691 1
1 178 . 10 1 1 A 21 21 THR HA H 21 5.059 5.146 -0.087 1
1 179 . 10 1 1 A 21 21 THR CB C 21 71.613 70.424 1.189 1
1 185 . 10 1 1 A 21 21 THR C C 21 173.193 171.923 1.270 1
1 186 . 10 1 1 A 22 22 PHE N N 22 117.679 120.985 -3.306 1
1 187 . 10 1 1 A 22 22 PHE H H 22 8.794 8.956 -0.162 1
1 188 . 10 1 1 A 22 22 PHE CA C 22 56.872 56.397 0.475 1
1 189 . 10 1 1 A 22 22 PHE HA H 22 4.857 4.974 -0.117 1
1 190 . 10 1 1 A 22 22 PHE CB C 22 43.851 43.721 0.130 1
1 202 . 10 1 1 A 22 22 PHE C C 22 175.647 175.807 -0.160 1
1 204 . 10 1 1 A 23 23 THR N N 23 111.367 116.716 -5.349 1
1 205 . 10 1 1 A 23 23 THR H H 23 8.994 8.805 0.189 1
1 206 . 10 1 1 A 23 23 THR CA C 23 62.862 63.199 -0.337 1
1 207 . 10 1 1 A 23 23 THR HA H 23 4.704 4.522 0.182 1
1 208 . 10 1 1 A 23 23 THR CB C 23 69.427 69.780 -0.353 1
1 214 . 10 1 1 A 23 23 THR C C 23 174.807 174.138 0.669 1
1 215 . 10 1 1 A 24 24 GLN N N 24 116.885 120.615 -3.730 1
1 216 . 10 1 1 A 24 24 GLN H H 24 7.420 7.784 -0.364 1
1 217 . 10 1 1 A 24 24 GLN CA C 24 54.233 54.453 -0.220 1
1 218 . 10 1 1 A 24 24 GLN HA H 24 4.695 4.783 -0.088 1
1 219 . 10 1 1 A 24 24 GLN CB C 24 32.047 31.638 0.409 1
1 226 . 10 1 1 A 24 24 GLN C C 24 175.738 176.154 -0.416 1
1 229 . 10 1 1 A 25 25 SER CA C 25 60.953 62.120 -1.167 1
1 230 . 10 1 1 A 25 25 SER HA H 25 3.007 3.049 -0.042 1
1 231 . 10 1 1 A 25 25 SER CB C 25 61.858 62.519 -0.661 1
1 234 . 10 1 1 A 26 26 SER CA C 26 60.852 61.435 -0.583 1
1 235 . 10 1 1 A 26 26 SER HA H 26 4.030 3.999 0.031 1
1 236 . 10 1 1 A 26 26 SER CB C 26 61.476 62.942 -1.466 1
1 238 . 10 1 1 A 26 26 SER C C 26 176.745 177.207 -0.462 1
1 240 . 10 1 1 A 27 27 SER N N 27 116.833 116.889 -0.056 1
1 241 . 10 1 1 A 27 27 SER H H 27 6.854 7.884 -1.030 1
1 242 . 10 1 1 A 27 27 SER CA C 27 60.741 62.245 -1.504 1
1 243 . 10 1 1 A 27 27 SER HA H 27 4.159 4.014 0.145 1
1 244 . 10 1 1 A 27 27 SER CB C 27 62.443 63.056 -0.613 1
1 246 . 10 1 1 A 27 27 SER C C 27 176.287 175.601 0.686 1
1 248 . 10 1 1 A 28 28 LEU N N 28 123.878 122.587 1.291 1
1 249 . 10 1 1 A 28 28 LEU H H 28 6.955 7.432 -0.477 1
1 250 . 10 1 1 A 28 28 LEU CA C 28 57.843 57.680 0.163 1
1 251 . 10 1 1 A 28 28 LEU HA H 28 3.164 3.245 -0.081 1
1 252 . 10 1 1 A 28 28 LEU CB C 28 40.011 41.341 -1.330 1
1 264 . 10 1 1 A 28 28 LEU C C 28 177.222 178.392 -1.170 1
1 266 . 10 1 1 A 29 29 THR N N 29 116.142 114.159 1.983 1
1 267 . 10 1 1 A 29 29 THR H H 29 8.071 7.581 0.490 1
1 268 . 10 1 1 A 29 29 THR CA C 29 66.739 66.468 0.271 1
1 269 . 10 1 1 A 29 29 THR HA H 29 3.894 3.781 0.113 1
1 270 . 10 1 1 A 29 29 THR CB C 29 68.480 68.454 0.026 1
1 276 . 10 1 1 A 29 29 THR C C 29 176.872 176.479 0.393 1
1 277 . 10 1 1 A 30 30 VAL N N 30 119.927 120.652 -0.725 1
1 278 . 10 1 1 A 30 30 VAL H H 30 7.466 7.939 -0.473 1
1 279 . 10 1 1 A 30 30 VAL CA C 30 66.507 64.305 2.202 1
1 280 . 10 1 1 A 30 30 VAL HA H 30 3.515 3.792 -0.277 1
1 281 . 10 1 1 A 30 30 VAL CB C 30 32.190 31.480 0.710 1
1 291 . 10 1 1 A 30 30 VAL C C 30 178.591 176.976 1.615 1
1 292 . 10 1 1 A 31 31 HIS N N 31 120.154 121.386 -1.232 1
1 293 . 10 1 1 A 31 31 HIS H H 31 7.526 7.777 -0.251 1
1 294 . 10 1 1 A 31 31 HIS CA C 31 59.359 58.173 1.186 1
1 295 . 10 1 1 A 31 31 HIS HA H 31 4.162 4.180 -0.018 1
1 296 . 10 1 1 A 31 31 HIS CB C 31 28.537 30.074 -1.537 1
1 302 . 10 1 1 A 31 31 HIS C C 31 176.216 176.905 -0.689 1
1 304 . 10 1 1 A 32 32 GLN N N 32 114.689 118.659 -3.970 1
1 305 . 10 1 1 A 32 32 GLN H H 32 8.372 8.583 -0.211 1
1 306 . 10 1 1 A 32 32 GLN CA C 32 59.351 58.597 0.754 1
1 307 . 10 1 1 A 32 32 GLN HA H 32 3.669 3.676 -0.007 1
1 308 . 10 1 1 A 32 32 GLN CB C 32 28.390 28.522 -0.132 1
1 315 . 10 1 1 A 32 32 GLN C C 32 177.432 178.125 -0.693 1
1 318 . 10 1 1 A 33 33 ARG N N 33 117.675 117.556 0.119 1
1 319 . 10 1 1 A 33 33 ARG H H 33 7.199 7.699 -0.500 1
1 320 . 10 1 1 A 33 33 ARG CA C 33 58.529 58.558 -0.029 1
1 321 . 10 1 1 A 33 33 ARG HA H 33 4.128 4.023 0.105 1
1 322 . 10 1 1 A 33 33 ARG CB C 33 30.081 29.805 0.276 1
1 328 . 10 1 1 A 33 33 ARG C C 33 178.711 178.347 0.364 1
1 332 . 10 1 1 A 34 34 ILE N N 34 116.218 120.941 -4.723 1
1 333 . 10 1 1 A 34 34 ILE H H 34 7.863 7.712 0.151 1
1 334 . 10 1 1 A 34 34 ILE CA C 34 63.114 65.382 -2.268 1
1 335 . 10 1 1 A 34 34 ILE HA H 34 3.948 3.500 0.448 1
1 336 . 10 1 1 A 34 34 ILE CB C 34 37.777 37.916 -0.139 1
1 348 . 10 1 1 A 34 34 ILE C C 34 177.391 177.853 -0.462 1
1 350 . 10 1 1 A 35 35 HIS N N 35 117.652 118.358 -0.706 1
1 351 . 10 1 1 A 35 35 HIS H H 35 7.196 7.318 -0.122 1
1 352 . 10 1 1 A 35 35 HIS CA C 35 55.169 59.488 -4.319 1
1 353 . 10 1 1 A 35 35 HIS HA H 35 4.838 4.319 0.519 1
1 354 . 10 1 1 A 35 35 HIS CB C 35 28.595 30.427 -1.832 1
1 360 . 10 1 1 A 35 35 HIS C C 35 175.849 175.934 -0.085 1
1 362 . 10 1 1 A 36 36 THR N N 36 111.767 111.924 -0.157 1
1 363 . 10 1 1 A 36 36 THR H H 36 7.785 7.759 0.026 1
1 364 . 10 1 1 A 36 36 THR CA C 36 62.507 60.776 1.731 1
1 365 . 10 1 1 A 36 36 THR HA H 36 4.335 4.458 -0.123 1
1 366 . 10 1 1 A 36 36 THR CB C 36 69.809 69.452 0.357 1
1 372 . 10 1 1 A 36 36 THR C C 36 175.513 174.891 0.622 1
1 373 . 10 1 1 A 37 37 GLY N N 37 110.668 110.465 0.203 1
1 374 . 10 1 1 A 37 37 GLY H H 37 8.239 7.642 0.597 1
1 375 . 10 1 1 A 37 37 GLY CA C 37 45.371 45.837 -0.466 1
1 376 . 10 1 1 A 37 37 GLY HA3 H 37 3.945 3.955 -0.010 1
1 377 . 10 1 1 A 37 37 GLY C C 37 174.036 174.720 -0.684 1
1 378 . 10 1 1 A 37 37 GLY HA2 H 37 4.006 3.942 0.064 1
1 379 . 10 1 1 A 38 38 GLU N N 38 120.549 120.517 0.032 1
1 380 . 10 1 1 A 38 38 GLU H H 38 8.080 7.697 0.383 1
1 381 . 10 1 1 A 38 38 GLU CA C 38 56.482 56.143 0.339 1
1 382 . 10 1 1 A 38 38 GLU HA H 38 4.228 4.388 -0.160 1
1 383 . 10 1 1 A 38 38 GLU CB C 38 30.588 30.515 0.073 1
1 387 . 10 1 1 A 38 38 GLU C C 38 176.186 176.624 -0.438 1
1 390 . 10 1 1 A 39 39 LYS N N 39 123.911 117.724 6.187 1
1 391 . 10 1 1 A 39 39 LYS H H 39 8.412 8.913 -0.501 1
1 392 . 10 1 1 A 39 39 LYS CA C 39 54.143 56.819 -2.676 1
1 393 . 10 1 1 A 39 39 LYS HA H 39 4.596 3.777 0.819 1
1 394 . 10 1 1 A 39 39 LYS CB C 39 32.571 30.459 2.112 1
1 402 . 10 1 1 A 39 39 LYS C C 39 174.511 176.804 -2.293 1
1 407 . 10 1 1 A 40 40 PRO CA C 40 63.232 64.216 -0.984 1
1 408 . 10 1 1 A 40 40 PRO HA H 40 4.447 4.487 -0.040 1
1 409 . 10 1 1 A 40 40 PRO CB C 40 32.194 31.401 0.793 1
1 1 . 11 1 1 A 7 7 GLY CA C 7 45.432 45.425 0.007 1
1 2 . 11 1 1 A 7 7 GLY C C 7 174.065 174.407 -0.342 1
1 3 . 11 1 1 A 8 8 ALA N N 8 123.769 123.856 -0.087 1
1 4 . 11 1 1 A 8 8 ALA H H 8 8.183 7.803 0.380 1
1 5 . 11 1 1 A 8 8 ALA CA C 8 52.778 50.992 1.786 1
1 6 . 11 1 1 A 8 8 ALA HA H 8 4.313 4.387 -0.074 1
1 7 . 11 1 1 A 8 8 ALA CB C 8 19.382 18.202 1.180 1
1 11 . 11 1 1 A 8 8 ALA C C 8 178.301 175.921 2.380 1
1 12 . 11 1 1 A 9 9 GLY N N 9 108.153 110.224 -2.071 1
1 13 . 11 1 1 A 9 9 GLY H H 9 8.410 8.517 -0.107 1
1 14 . 11 1 1 A 9 9 GLY CA C 9 45.309 43.877 1.432 1
1 15 . 11 1 1 A 9 9 GLY HA3 H 9 3.926 4.371 -0.445 1
1 16 . 11 1 1 A 9 9 GLY C C 9 174.030 174.834 -0.804 1
1 17 . 11 1 1 A 9 9 GLY HA2 H 9 3.926 4.367 -0.441 1
1 18 . 11 1 1 A 10 10 LYS N N 10 120.547 121.064 -0.517 1
1 19 . 11 1 1 A 10 10 LYS H H 10 8.067 8.924 -0.857 1
1 20 . 11 1 1 A 10 10 LYS CA C 10 56.267 59.334 -3.067 1
1 21 . 11 1 1 A 10 10 LYS HA H 10 4.277 3.960 0.317 1
1 22 . 11 1 1 A 10 10 LYS CB C 10 33.167 32.048 1.119 1
1 30 . 11 1 1 A 10 10 LYS C C 10 176.363 176.719 -0.356 1
1 35 . 11 1 1 A 11 11 LYS N N 11 122.689 120.055 2.634 1
1 36 . 11 1 1 A 11 11 LYS H H 11 8.290 7.490 0.800 1
1 37 . 11 1 1 A 11 11 LYS CA C 11 56.098 56.593 -0.495 1
1 38 . 11 1 1 A 11 11 LYS HA H 11 4.180 4.026 0.154 1
1 39 . 11 1 1 A 11 11 LYS CB C 11 32.953 33.246 -0.293 1
1 46 . 11 1 1 A 11 11 LYS C C 11 175.249 176.100 -0.851 1
1 51 . 11 1 1 A 12 12 LEU N N 12 121.792 121.520 0.272 1
1 52 . 11 1 1 A 12 12 LEU H H 12 7.790 8.366 -0.576 1
1 53 . 11 1 1 A 12 12 LEU CA C 12 54.202 54.755 -0.553 1
1 54 . 11 1 1 A 12 12 LEU HA H 12 4.419 4.548 -0.129 1
1 55 . 11 1 1 A 12 12 LEU CB C 12 44.011 44.168 -0.157 1
1 67 . 11 1 1 A 12 12 LEU C C 12 176.086 175.942 0.144 1
1 69 . 11 1 1 A 13 13 PHE N N 13 121.077 116.003 5.074 1
1 70 . 11 1 1 A 13 13 PHE H H 13 8.628 7.722 0.906 1
1 71 . 11 1 1 A 13 13 PHE CA C 13 57.309 55.441 1.868 1
1 72 . 11 1 1 A 13 13 PHE HA H 13 4.578 5.459 -0.881 1
1 73 . 11 1 1 A 13 13 PHE CB C 13 40.107 43.328 -3.221 1
1 85 . 11 1 1 A 13 13 PHE C C 13 174.502 172.755 1.747 1
1 87 . 11 1 1 A 14 14 LYS N N 14 124.720 120.114 4.606 1
1 88 . 11 1 1 A 14 14 LYS H H 14 8.757 9.008 -0.251 1
1 89 . 11 1 1 A 14 14 LYS CA C 14 55.088 54.773 0.315 1
1 90 . 11 1 1 A 14 14 LYS HA H 14 4.866 5.128 -0.262 1
1 91 . 11 1 1 A 14 14 LYS CB C 14 35.570 36.452 -0.882 1
1 99 . 11 1 1 A 14 14 LYS C C 14 174.832 174.675 0.157 1
1 104 . 11 1 1 A 15 15 CYS N N 15 127.003 126.048 0.955 1
1 105 . 11 1 1 A 15 15 CYS H H 15 8.884 8.932 -0.048 1
1 106 . 11 1 1 A 15 15 CYS CA C 15 59.640 57.827 1.813 1
1 107 . 11 1 1 A 15 15 CYS HA H 15 4.497 4.709 -0.212 1
1 108 . 11 1 1 A 15 15 CYS CB C 15 29.562 28.041 1.521 1
1 110 . 11 1 1 A 15 15 CYS C C 15 176.310 175.560 0.750 1
1 112 . 11 1 1 A 16 16 ASN N N 16 128.404 125.651 2.753 1
1 113 . 11 1 1 A 16 16 ASN H H 16 9.250 8.811 0.439 1
1 114 . 11 1 1 A 16 16 ASN CA C 16 55.576 52.780 2.796 1
1 115 . 11 1 1 A 16 16 ASN HA H 16 4.554 4.812 -0.258 1
1 116 . 11 1 1 A 16 16 ASN CB C 16 38.591 37.058 1.533 1
1 121 . 11 1 1 A 16 16 ASN C C 16 175.713 175.515 0.198 1
1 123 . 11 1 1 A 17 17 GLU N N 17 120.824 118.592 2.232 1
1 124 . 11 1 1 A 17 17 GLU H H 17 8.813 8.300 0.513 1
1 125 . 11 1 1 A 17 17 GLU CA C 17 58.125 57.086 1.039 1
1 126 . 11 1 1 A 17 17 GLU HA H 17 4.242 4.486 -0.244 1
1 127 . 11 1 1 A 17 17 GLU CB C 17 29.807 32.096 -2.289 1
1 131 . 11 1 1 A 17 17 GLU C C 17 176.504 177.827 -1.323 1
1 134 . 11 1 1 A 18 18 CYS N N 18 116.605 114.877 1.728 1
1 135 . 11 1 1 A 18 18 CYS H H 18 7.948 8.071 -0.123 1
1 136 . 11 1 1 A 18 18 CYS CA C 18 58.408 58.665 -0.257 1
1 137 . 11 1 1 A 18 18 CYS HA H 18 5.061 4.646 0.415 1
1 138 . 11 1 1 A 18 18 CYS CB C 18 31.357 30.070 1.287 1
1 140 . 11 1 1 A 18 18 CYS C C 18 175.034 175.124 -0.090 1
1 142 . 11 1 1 A 19 19 LYS N N 19 115.996 116.311 -0.315 1
1 143 . 11 1 1 A 19 19 LYS H H 19 8.013 7.641 0.372 1
1 144 . 11 1 1 A 19 19 LYS CA C 19 57.801 57.244 0.557 1
1 145 . 11 1 1 A 19 19 LYS HA H 19 4.131 3.820 0.311 1
1 146 . 11 1 1 A 19 19 LYS CB C 19 29.728 29.527 0.201 1
1 153 . 11 1 1 A 19 19 LYS C C 19 175.710 174.994 0.716 1
1 158 . 11 1 1 A 20 20 LYS N N 20 122.163 118.332 3.831 1
1 159 . 11 1 1 A 20 20 LYS H H 20 8.056 7.676 0.380 1
1 160 . 11 1 1 A 20 20 LYS CA C 20 58.153 55.513 2.640 1
1 161 . 11 1 1 A 20 20 LYS HA H 20 4.068 4.827 -0.759 1
1 162 . 11 1 1 A 20 20 LYS CB C 20 33.850 36.072 -2.222 1
1 170 . 11 1 1 A 20 20 LYS C C 20 175.054 174.507 0.547 1
1 175 . 11 1 1 A 21 21 THR N N 21 111.093 113.800 -2.707 1
1 176 . 11 1 1 A 21 21 THR H H 21 7.640 8.501 -0.861 1
1 177 . 11 1 1 A 21 21 THR CA C 21 59.789 59.470 0.319 1
1 178 . 11 1 1 A 21 21 THR HA H 21 5.059 5.234 -0.175 1
1 179 . 11 1 1 A 21 21 THR CB C 21 71.613 72.554 -0.941 1
1 185 . 11 1 1 A 21 21 THR C C 21 173.193 172.688 0.505 1
1 186 . 11 1 1 A 22 22 PHE N N 22 117.679 117.226 0.453 1
1 187 . 11 1 1 A 22 22 PHE H H 22 8.794 8.865 -0.071 1
1 188 . 11 1 1 A 22 22 PHE CA C 22 56.872 56.683 0.189 1
1 189 . 11 1 1 A 22 22 PHE HA H 22 4.857 5.030 -0.173 1
1 190 . 11 1 1 A 22 22 PHE CB C 22 43.851 43.115 0.736 1
1 202 . 11 1 1 A 22 22 PHE C C 22 175.647 175.811 -0.164 1
1 204 . 11 1 1 A 23 23 THR N N 23 111.367 117.290 -5.923 1
1 205 . 11 1 1 A 23 23 THR H H 23 8.994 8.653 0.341 1
1 206 . 11 1 1 A 23 23 THR CA C 23 62.862 63.195 -0.333 1
1 207 . 11 1 1 A 23 23 THR HA H 23 4.704 4.520 0.184 1
1 208 . 11 1 1 A 23 23 THR CB C 23 69.427 69.228 0.199 1
1 214 . 11 1 1 A 23 23 THR C C 23 174.807 174.098 0.709 1
1 215 . 11 1 1 A 24 24 GLN N N 24 116.885 121.308 -4.423 1
1 216 . 11 1 1 A 24 24 GLN H H 24 7.420 7.752 -0.332 1
1 217 . 11 1 1 A 24 24 GLN CA C 24 54.233 54.456 -0.223 1
1 218 . 11 1 1 A 24 24 GLN HA H 24 4.695 4.685 0.010 1
1 219 . 11 1 1 A 24 24 GLN CB C 24 32.047 30.946 1.101 1
1 226 . 11 1 1 A 24 24 GLN C C 24 175.738 176.309 -0.571 1
1 229 . 11 1 1 A 25 25 SER CA C 25 60.953 62.069 -1.116 1
1 230 . 11 1 1 A 25 25 SER HA H 25 3.007 4.097 -1.090 1
1 231 . 11 1 1 A 25 25 SER CB C 25 61.858 62.814 -0.956 1
1 234 . 11 1 1 A 26 26 SER CA C 26 60.852 61.426 -0.574 1
1 235 . 11 1 1 A 26 26 SER HA H 26 4.030 4.078 -0.048 1
1 236 . 11 1 1 A 26 26 SER CB C 26 61.476 62.906 -1.430 1
1 238 . 11 1 1 A 26 26 SER C C 26 176.745 177.208 -0.463 1
1 240 . 11 1 1 A 27 27 SER N N 27 116.833 117.116 -0.283 1
1 241 . 11 1 1 A 27 27 SER H H 27 6.854 8.357 -1.503 1
1 242 . 11 1 1 A 27 27 SER CA C 27 60.741 62.157 -1.416 1
1 243 . 11 1 1 A 27 27 SER HA H 27 4.159 3.893 0.266 1
1 244 . 11 1 1 A 27 27 SER CB C 27 62.443 63.007 -0.564 1
1 246 . 11 1 1 A 27 27 SER C C 27 176.287 175.452 0.835 1
1 248 . 11 1 1 A 28 28 LEU N N 28 123.878 122.216 1.662 1
1 249 . 11 1 1 A 28 28 LEU H H 28 6.955 7.301 -0.346 1
1 250 . 11 1 1 A 28 28 LEU CA C 28 57.843 57.721 0.122 1
1 251 . 11 1 1 A 28 28 LEU HA H 28 3.164 3.599 -0.435 1
1 252 . 11 1 1 A 28 28 LEU CB C 28 40.011 41.272 -1.261 1
1 264 . 11 1 1 A 28 28 LEU C C 28 177.222 178.465 -1.243 1
1 266 . 11 1 1 A 29 29 THR N N 29 116.142 114.164 1.978 1
1 267 . 11 1 1 A 29 29 THR H H 29 8.071 7.459 0.612 1
1 268 . 11 1 1 A 29 29 THR CA C 29 66.739 66.434 0.305 1
1 269 . 11 1 1 A 29 29 THR HA H 29 3.894 3.795 0.099 1
1 270 . 11 1 1 A 29 29 THR CB C 29 68.480 68.402 0.078 1
1 276 . 11 1 1 A 29 29 THR C C 29 176.872 176.318 0.554 1
1 277 . 11 1 1 A 30 30 VAL N N 30 119.927 120.396 -0.469 1
1 278 . 11 1 1 A 30 30 VAL H H 30 7.466 8.091 -0.625 1
1 279 . 11 1 1 A 30 30 VAL CA C 30 66.507 64.748 1.759 1
1 280 . 11 1 1 A 30 30 VAL HA H 30 3.515 3.787 -0.272 1
1 281 . 11 1 1 A 30 30 VAL CB C 30 32.190 31.372 0.818 1
1 291 . 11 1 1 A 30 30 VAL C C 30 178.591 176.971 1.620 1
1 292 . 11 1 1 A 31 31 HIS N N 31 120.154 121.179 -1.025 1
1 293 . 11 1 1 A 31 31 HIS H H 31 7.526 7.505 0.021 1
1 294 . 11 1 1 A 31 31 HIS CA C 31 59.359 59.206 0.153 1
1 295 . 11 1 1 A 31 31 HIS HA H 31 4.162 4.161 0.001 1
1 296 . 11 1 1 A 31 31 HIS CB C 31 28.537 29.405 -0.868 1
1 302 . 11 1 1 A 31 31 HIS C C 31 176.216 177.049 -0.833 1
1 304 . 11 1 1 A 32 32 GLN N N 32 114.689 118.587 -3.898 1
1 305 . 11 1 1 A 32 32 GLN H H 32 8.372 8.620 -0.248 1
1 306 . 11 1 1 A 32 32 GLN CA C 32 59.351 58.726 0.625 1
1 307 . 11 1 1 A 32 32 GLN HA H 32 3.669 4.006 -0.337 1
1 308 . 11 1 1 A 32 32 GLN CB C 32 28.390 28.262 0.128 1
1 315 . 11 1 1 A 32 32 GLN C C 32 177.432 177.834 -0.402 1
1 318 . 11 1 1 A 33 33 ARG N N 33 117.675 118.245 -0.570 1
1 319 . 11 1 1 A 33 33 ARG H H 33 7.199 7.885 -0.686 1
1 320 . 11 1 1 A 33 33 ARG CA C 33 58.529 59.041 -0.512 1
1 321 . 11 1 1 A 33 33 ARG HA H 33 4.128 4.268 -0.140 1
1 322 . 11 1 1 A 33 33 ARG CB C 33 30.081 29.674 0.407 1
1 328 . 11 1 1 A 33 33 ARG C C 33 178.711 178.327 0.384 1
1 332 . 11 1 1 A 34 34 ILE N N 34 116.218 119.730 -3.512 1
1 333 . 11 1 1 A 34 34 ILE H H 34 7.863 7.677 0.186 1
1 334 . 11 1 1 A 34 34 ILE CA C 34 63.114 64.584 -1.470 1
1 335 . 11 1 1 A 34 34 ILE HA H 34 3.948 3.672 0.276 1
1 336 . 11 1 1 A 34 34 ILE CB C 34 37.777 37.354 0.423 1
1 348 . 11 1 1 A 34 34 ILE C C 34 177.391 177.436 -0.045 1
1 350 . 11 1 1 A 35 35 HIS N N 35 117.652 117.963 -0.311 1
1 351 . 11 1 1 A 35 35 HIS H H 35 7.196 7.441 -0.245 1
1 352 . 11 1 1 A 35 35 HIS CA C 35 55.169 58.276 -3.107 1
1 353 . 11 1 1 A 35 35 HIS HA H 35 4.838 4.366 0.472 1
1 354 . 11 1 1 A 35 35 HIS CB C 35 28.595 30.409 -1.814 1
1 360 . 11 1 1 A 35 35 HIS C C 35 175.849 177.117 -1.268 1
1 362 . 11 1 1 A 36 36 THR N N 36 111.767 110.475 1.292 1
1 363 . 11 1 1 A 36 36 THR H H 36 7.785 7.862 -0.077 1
1 364 . 11 1 1 A 36 36 THR CA C 36 62.507 63.037 -0.530 1
1 365 . 11 1 1 A 36 36 THR HA H 36 4.335 4.176 0.159 1
1 366 . 11 1 1 A 36 36 THR CB C 36 69.809 70.040 -0.231 1
1 372 . 11 1 1 A 36 36 THR C C 36 175.513 175.465 0.048 1
1 373 . 11 1 1 A 37 37 GLY N N 37 110.668 110.540 0.128 1
1 374 . 11 1 1 A 37 37 GLY H H 37 8.239 7.688 0.551 1
1 375 . 11 1 1 A 37 37 GLY CA C 37 45.371 45.130 0.241 1
1 376 . 11 1 1 A 37 37 GLY HA3 H 37 3.945 4.027 -0.082 1
1 377 . 11 1 1 A 37 37 GLY C C 37 174.036 174.833 -0.797 1
1 378 . 11 1 1 A 37 37 GLY HA2 H 37 4.006 4.022 -0.016 1
1 379 . 11 1 1 A 38 38 GLU N N 38 120.549 120.714 -0.165 1
1 380 . 11 1 1 A 38 38 GLU H H 38 8.080 7.659 0.421 1
1 381 . 11 1 1 A 38 38 GLU CA C 38 56.482 56.741 -0.259 1
1 382 . 11 1 1 A 38 38 GLU HA H 38 4.228 4.312 -0.084 1
1 383 . 11 1 1 A 38 38 GLU CB C 38 30.588 30.094 0.494 1
1 387 . 11 1 1 A 38 38 GLU C C 38 176.186 176.281 -0.095 1
1 390 . 11 1 1 A 39 39 LYS N N 39 123.911 122.674 1.237 1
1 391 . 11 1 1 A 39 39 LYS H H 39 8.412 8.470 -0.058 1
1 392 . 11 1 1 A 39 39 LYS CA C 39 54.143 55.125 -0.982 1
1 393 . 11 1 1 A 39 39 LYS HA H 39 4.596 4.342 0.254 1
1 394 . 11 1 1 A 39 39 LYS CB C 39 32.571 31.796 0.775 1
1 402 . 11 1 1 A 39 39 LYS C C 39 174.511 174.807 -0.296 1
1 407 . 11 1 1 A 40 40 PRO CA C 40 63.232 62.689 0.543 1
1 408 . 11 1 1 A 40 40 PRO HA H 40 4.447 4.808 -0.361 1
1 409 . 11 1 1 A 40 40 PRO CB C 40 32.194 32.317 -0.123 1
1 1 . 12 1 1 A 7 7 GLY CA C 7 45.432 45.888 -0.456 1
1 2 . 12 1 1 A 7 7 GLY C C 7 174.065 173.896 0.169 1
1 3 . 12 1 1 A 8 8 ALA N N 8 123.769 124.405 -0.636 1
1 4 . 12 1 1 A 8 8 ALA H H 8 8.183 7.876 0.307 1
1 5 . 12 1 1 A 8 8 ALA CA C 8 52.778 50.740 2.038 1
1 6 . 12 1 1 A 8 8 ALA HA H 8 4.313 4.863 -0.550 1
1 7 . 12 1 1 A 8 8 ALA CB C 8 19.382 21.363 -1.981 1
1 11 . 12 1 1 A 8 8 ALA C C 8 178.301 176.442 1.859 1
1 12 . 12 1 1 A 9 9 GLY N N 9 108.153 112.168 -4.015 1
1 13 . 12 1 1 A 9 9 GLY H H 9 8.410 8.357 0.053 1
1 14 . 12 1 1 A 9 9 GLY CA C 9 45.309 46.245 -0.936 1
1 15 . 12 1 1 A 9 9 GLY HA3 H 9 3.926 4.088 -0.162 1
1 16 . 12 1 1 A 9 9 GLY C C 9 174.030 175.321 -1.291 1
1 17 . 12 1 1 A 9 9 GLY HA2 H 9 3.926 4.087 -0.161 1
1 18 . 12 1 1 A 10 10 LYS N N 10 120.547 119.161 1.386 1
1 19 . 12 1 1 A 10 10 LYS H H 10 8.067 8.074 -0.007 1
1 20 . 12 1 1 A 10 10 LYS CA C 10 56.267 58.390 -2.123 1
1 21 . 12 1 1 A 10 10 LYS HA H 10 4.277 4.242 0.035 1
1 22 . 12 1 1 A 10 10 LYS CB C 10 33.167 32.767 0.400 1
1 30 . 12 1 1 A 10 10 LYS C C 10 176.363 176.678 -0.315 1
1 35 . 12 1 1 A 11 11 LYS N N 11 122.689 120.315 2.374 1
1 36 . 12 1 1 A 11 11 LYS H H 11 8.290 7.539 0.751 1
1 37 . 12 1 1 A 11 11 LYS CA C 11 56.098 56.600 -0.502 1
1 38 . 12 1 1 A 11 11 LYS HA H 11 4.180 4.210 -0.030 1
1 39 . 12 1 1 A 11 11 LYS CB C 11 32.953 33.434 -0.481 1
1 46 . 12 1 1 A 11 11 LYS C C 11 175.249 176.444 -1.195 1
1 51 . 12 1 1 A 12 12 LEU N N 12 121.792 121.776 0.016 1
1 52 . 12 1 1 A 12 12 LEU H H 12 7.790 8.914 -1.124 1
1 53 . 12 1 1 A 12 12 LEU CA C 12 54.202 54.875 -0.673 1
1 54 . 12 1 1 A 12 12 LEU HA H 12 4.419 4.740 -0.321 1
1 55 . 12 1 1 A 12 12 LEU CB C 12 44.011 44.346 -0.335 1
1 67 . 12 1 1 A 12 12 LEU C C 12 176.086 176.903 -0.817 1
1 69 . 12 1 1 A 13 13 PHE N N 13 121.077 118.467 2.610 1
1 70 . 12 1 1 A 13 13 PHE H H 13 8.628 8.050 0.578 1
1 71 . 12 1 1 A 13 13 PHE CA C 13 57.309 56.164 1.145 1
1 72 . 12 1 1 A 13 13 PHE HA H 13 4.578 5.364 -0.786 1
1 73 . 12 1 1 A 13 13 PHE CB C 13 40.107 43.538 -3.431 1
1 85 . 12 1 1 A 13 13 PHE C C 13 174.502 174.064 0.438 1
1 87 . 12 1 1 A 14 14 LYS N N 14 124.720 122.008 2.712 1
1 88 . 12 1 1 A 14 14 LYS H H 14 8.757 8.883 -0.126 1
1 89 . 12 1 1 A 14 14 LYS CA C 14 55.088 54.898 0.190 1
1 90 . 12 1 1 A 14 14 LYS HA H 14 4.866 5.004 -0.138 1
1 91 . 12 1 1 A 14 14 LYS CB C 14 35.570 36.240 -0.670 1
1 99 . 12 1 1 A 14 14 LYS C C 14 174.832 174.859 -0.027 1
1 104 . 12 1 1 A 15 15 CYS N N 15 127.003 126.051 0.952 1
1 105 . 12 1 1 A 15 15 CYS H H 15 8.884 8.592 0.292 1
1 106 . 12 1 1 A 15 15 CYS CA C 15 59.640 58.428 1.212 1
1 107 . 12 1 1 A 15 15 CYS HA H 15 4.497 4.784 -0.287 1
1 108 . 12 1 1 A 15 15 CYS CB C 15 29.562 27.965 1.597 1
1 110 . 12 1 1 A 15 15 CYS C C 15 176.310 175.527 0.783 1
1 112 . 12 1 1 A 16 16 ASN N N 16 128.404 126.359 2.045 1
1 113 . 12 1 1 A 16 16 ASN H H 16 9.250 9.188 0.062 1
1 114 . 12 1 1 A 16 16 ASN CA C 16 55.576 52.054 3.522 1
1 115 . 12 1 1 A 16 16 ASN HA H 16 4.554 4.828 -0.274 1
1 116 . 12 1 1 A 16 16 ASN CB C 16 38.591 36.878 1.713 1
1 121 . 12 1 1 A 16 16 ASN C C 16 175.713 176.245 -0.532 1
1 123 . 12 1 1 A 17 17 GLU N N 17 120.824 121.452 -0.628 1
1 124 . 12 1 1 A 17 17 GLU H H 17 8.813 8.191 0.622 1
1 125 . 12 1 1 A 17 17 GLU CA C 17 58.125 57.046 1.079 1
1 126 . 12 1 1 A 17 17 GLU HA H 17 4.242 4.449 -0.207 1
1 127 . 12 1 1 A 17 17 GLU CB C 17 29.807 31.992 -2.185 1
1 131 . 12 1 1 A 17 17 GLU C C 17 176.504 177.747 -1.243 1
1 134 . 12 1 1 A 18 18 CYS N N 18 116.605 114.095 2.510 1
1 135 . 12 1 1 A 18 18 CYS H H 18 7.948 7.946 0.002 1
1 136 . 12 1 1 A 18 18 CYS CA C 18 58.408 58.352 0.056 1
1 137 . 12 1 1 A 18 18 CYS HA H 18 5.061 4.578 0.483 1
1 138 . 12 1 1 A 18 18 CYS CB C 18 31.357 29.672 1.685 1
1 140 . 12 1 1 A 18 18 CYS C C 18 175.034 174.650 0.384 1
1 142 . 12 1 1 A 19 19 LYS N N 19 115.996 116.424 -0.428 1
1 143 . 12 1 1 A 19 19 LYS H H 19 8.013 7.764 0.249 1
1 144 . 12 1 1 A 19 19 LYS CA C 19 57.801 57.335 0.466 1
1 145 . 12 1 1 A 19 19 LYS HA H 19 4.131 3.871 0.260 1
1 146 . 12 1 1 A 19 19 LYS CB C 19 29.728 29.456 0.272 1
1 153 . 12 1 1 A 19 19 LYS C C 19 175.710 174.843 0.867 1
1 158 . 12 1 1 A 20 20 LYS N N 20 122.163 118.477 3.686 1
1 159 . 12 1 1 A 20 20 LYS H H 20 8.056 7.792 0.264 1
1 160 . 12 1 1 A 20 20 LYS CA C 20 58.153 54.687 3.466 1
1 161 . 12 1 1 A 20 20 LYS HA H 20 4.068 4.932 -0.864 1
1 162 . 12 1 1 A 20 20 LYS CB C 20 33.850 36.070 -2.220 1
1 170 . 12 1 1 A 20 20 LYS C C 20 175.054 175.065 -0.011 1
1 175 . 12 1 1 A 21 21 THR N N 21 111.093 113.254 -2.161 1
1 176 . 12 1 1 A 21 21 THR H H 21 7.640 8.635 -0.995 1
1 177 . 12 1 1 A 21 21 THR CA C 21 59.789 59.059 0.730 1
1 178 . 12 1 1 A 21 21 THR HA H 21 5.059 5.348 -0.289 1
1 179 . 12 1 1 A 21 21 THR CB C 21 71.613 72.453 -0.840 1
1 185 . 12 1 1 A 21 21 THR C C 21 173.193 173.542 -0.349 1
1 186 . 12 1 1 A 22 22 PHE N N 22 117.679 117.719 -0.040 1
1 187 . 12 1 1 A 22 22 PHE H H 22 8.794 8.654 0.140 1
1 188 . 12 1 1 A 22 22 PHE CA C 22 56.872 56.599 0.273 1
1 189 . 12 1 1 A 22 22 PHE HA H 22 4.857 4.864 -0.007 1
1 190 . 12 1 1 A 22 22 PHE CB C 22 43.851 42.131 1.720 1
1 202 . 12 1 1 A 22 22 PHE C C 22 175.647 176.004 -0.357 1
1 204 . 12 1 1 A 23 23 THR N N 23 111.367 118.501 -7.134 1
1 205 . 12 1 1 A 23 23 THR H H 23 8.994 8.527 0.467 1
1 206 . 12 1 1 A 23 23 THR CA C 23 62.862 66.189 -3.327 1
1 207 . 12 1 1 A 23 23 THR HA H 23 4.704 3.922 0.782 1
1 208 . 12 1 1 A 23 23 THR CB C 23 69.427 68.882 0.545 1
1 214 . 12 1 1 A 23 23 THR C C 23 174.807 174.941 -0.134 1
1 215 . 12 1 1 A 24 24 GLN N N 24 116.885 118.976 -2.091 1
1 216 . 12 1 1 A 24 24 GLN H H 24 7.420 8.015 -0.595 1
1 217 . 12 1 1 A 24 24 GLN CA C 24 54.233 54.023 0.210 1
1 218 . 12 1 1 A 24 24 GLN HA H 24 4.695 4.654 0.041 1
1 219 . 12 1 1 A 24 24 GLN CB C 24 32.047 31.934 0.113 1
1 226 . 12 1 1 A 24 24 GLN C C 24 175.738 175.838 -0.100 1
1 229 . 12 1 1 A 25 25 SER CA C 25 60.953 61.022 -0.069 1
1 230 . 12 1 1 A 25 25 SER HA H 25 3.007 3.649 -0.642 1
1 231 . 12 1 1 A 25 25 SER CB C 25 61.858 62.272 -0.414 1
1 234 . 12 1 1 A 26 26 SER CA C 26 60.852 61.570 -0.718 1
1 235 . 12 1 1 A 26 26 SER HA H 26 4.030 3.953 0.077 1
1 236 . 12 1 1 A 26 26 SER CB C 26 61.476 63.020 -1.544 1
1 238 . 12 1 1 A 26 26 SER C C 26 176.745 176.887 -0.142 1
1 240 . 12 1 1 A 27 27 SER N N 27 116.833 117.251 -0.418 1
1 241 . 12 1 1 A 27 27 SER H H 27 6.854 7.891 -1.037 1
1 242 . 12 1 1 A 27 27 SER CA C 27 60.741 62.079 -1.338 1
1 243 . 12 1 1 A 27 27 SER HA H 27 4.159 4.014 0.145 1
1 244 . 12 1 1 A 27 27 SER CB C 27 62.443 62.732 -0.289 1
1 246 . 12 1 1 A 27 27 SER C C 27 176.287 175.578 0.709 1
1 248 . 12 1 1 A 28 28 LEU N N 28 123.878 121.821 2.057 1
1 249 . 12 1 1 A 28 28 LEU H H 28 6.955 7.685 -0.730 1
1 250 . 12 1 1 A 28 28 LEU CA C 28 57.843 57.410 0.433 1
1 251 . 12 1 1 A 28 28 LEU HA H 28 3.164 3.152 0.012 1
1 252 . 12 1 1 A 28 28 LEU CB C 28 40.011 41.506 -1.495 1
1 264 . 12 1 1 A 28 28 LEU C C 28 177.222 178.438 -1.216 1
1 266 . 12 1 1 A 29 29 THR N N 29 116.142 114.290 1.852 1
1 267 . 12 1 1 A 29 29 THR H H 29 8.071 8.060 0.011 1
1 268 . 12 1 1 A 29 29 THR CA C 29 66.739 66.510 0.229 1
1 269 . 12 1 1 A 29 29 THR HA H 29 3.894 3.832 0.062 1
1 270 . 12 1 1 A 29 29 THR CB C 29 68.480 68.305 0.175 1
1 276 . 12 1 1 A 29 29 THR C C 29 176.872 176.346 0.526 1
1 277 . 12 1 1 A 30 30 VAL N N 30 119.927 120.309 -0.382 1
1 278 . 12 1 1 A 30 30 VAL H H 30 7.466 7.852 -0.386 1
1 279 . 12 1 1 A 30 30 VAL CA C 30 66.507 64.794 1.713 1
1 280 . 12 1 1 A 30 30 VAL HA H 30 3.515 3.719 -0.204 1
1 281 . 12 1 1 A 30 30 VAL CB C 30 32.190 31.054 1.136 1
1 291 . 12 1 1 A 30 30 VAL C C 30 178.591 177.531 1.060 1
1 292 . 12 1 1 A 31 31 HIS N N 31 120.154 120.667 -0.513 1
1 293 . 12 1 1 A 31 31 HIS H H 31 7.526 7.986 -0.460 1
1 294 . 12 1 1 A 31 31 HIS CA C 31 59.359 58.842 0.517 1
1 295 . 12 1 1 A 31 31 HIS HA H 31 4.162 4.043 0.119 1
1 296 . 12 1 1 A 31 31 HIS CB C 31 28.537 29.658 -1.121 1
1 302 . 12 1 1 A 31 31 HIS C C 31 176.216 176.927 -0.711 1
1 304 . 12 1 1 A 32 32 GLN N N 32 114.689 118.589 -3.900 1
1 305 . 12 1 1 A 32 32 GLN H H 32 8.372 8.439 -0.067 1
1 306 . 12 1 1 A 32 32 GLN CA C 32 59.351 58.530 0.821 1
1 307 . 12 1 1 A 32 32 GLN HA H 32 3.669 3.672 -0.003 1
1 308 . 12 1 1 A 32 32 GLN CB C 32 28.390 28.779 -0.389 1
1 315 . 12 1 1 A 32 32 GLN C C 32 177.432 177.836 -0.404 1
1 318 . 12 1 1 A 33 33 ARG N N 33 117.675 118.537 -0.862 1
1 319 . 12 1 1 A 33 33 ARG H H 33 7.199 7.414 -0.215 1
1 320 . 12 1 1 A 33 33 ARG CA C 33 58.529 58.983 -0.454 1
1 321 . 12 1 1 A 33 33 ARG HA H 33 4.128 4.206 -0.078 1
1 322 . 12 1 1 A 33 33 ARG CB C 33 30.081 29.777 0.304 1
1 328 . 12 1 1 A 33 33 ARG C C 33 178.711 178.221 0.490 1
1 332 . 12 1 1 A 34 34 ILE N N 34 116.218 120.340 -4.122 1
1 333 . 12 1 1 A 34 34 ILE H H 34 7.863 7.854 0.009 1
1 334 . 12 1 1 A 34 34 ILE CA C 34 63.114 65.235 -2.121 1
1 335 . 12 1 1 A 34 34 ILE HA H 34 3.948 3.600 0.348 1
1 336 . 12 1 1 A 34 34 ILE CB C 34 37.777 37.807 -0.030 1
1 348 . 12 1 1 A 34 34 ILE C C 34 177.391 178.005 -0.614 1
1 350 . 12 1 1 A 35 35 HIS N N 35 117.652 118.929 -1.277 1
1 351 . 12 1 1 A 35 35 HIS H H 35 7.196 7.370 -0.174 1
1 352 . 12 1 1 A 35 35 HIS CA C 35 55.169 60.145 -4.976 1
1 353 . 12 1 1 A 35 35 HIS HA H 35 4.838 4.242 0.596 1
1 354 . 12 1 1 A 35 35 HIS CB C 35 28.595 30.450 -1.855 1
1 360 . 12 1 1 A 35 35 HIS C C 35 175.849 176.118 -0.269 1
1 362 . 12 1 1 A 36 36 THR N N 36 111.767 108.682 3.085 1
1 363 . 12 1 1 A 36 36 THR H H 36 7.785 7.588 0.197 1
1 364 . 12 1 1 A 36 36 THR CA C 36 62.507 61.269 1.238 1
1 365 . 12 1 1 A 36 36 THR HA H 36 4.335 4.315 0.020 1
1 366 . 12 1 1 A 36 36 THR CB C 36 69.809 68.859 0.950 1
1 372 . 12 1 1 A 36 36 THR C C 36 175.513 174.645 0.868 1
1 373 . 12 1 1 A 37 37 GLY N N 37 110.668 109.193 1.475 1
1 374 . 12 1 1 A 37 37 GLY H H 37 8.239 7.628 0.611 1
1 375 . 12 1 1 A 37 37 GLY CA C 37 45.371 45.520 -0.149 1
1 376 . 12 1 1 A 37 37 GLY HA3 H 37 3.945 4.023 -0.078 1
1 377 . 12 1 1 A 37 37 GLY C C 37 174.036 174.636 -0.600 1
1 378 . 12 1 1 A 37 37 GLY HA2 H 37 4.006 4.014 -0.008 1
1 379 . 12 1 1 A 38 38 GLU N N 38 120.549 120.103 0.446 1
1 380 . 12 1 1 A 38 38 GLU H H 38 8.080 7.919 0.161 1
1 381 . 12 1 1 A 38 38 GLU CA C 38 56.482 56.744 -0.262 1
1 382 . 12 1 1 A 38 38 GLU HA H 38 4.228 4.283 -0.055 1
1 383 . 12 1 1 A 38 38 GLU CB C 38 30.588 29.920 0.668 1
1 387 . 12 1 1 A 38 38 GLU C C 38 176.186 176.465 -0.279 1
1 390 . 12 1 1 A 39 39 LYS N N 39 123.911 121.676 2.235 1
1 391 . 12 1 1 A 39 39 LYS H H 39 8.412 8.399 0.013 1
1 392 . 12 1 1 A 39 39 LYS CA C 39 54.143 54.610 -0.467 1
1 393 . 12 1 1 A 39 39 LYS HA H 39 4.596 4.722 -0.126 1
1 394 . 12 1 1 A 39 39 LYS CB C 39 32.571 32.922 -0.351 1
1 402 . 12 1 1 A 39 39 LYS C C 39 174.511 175.085 -0.574 1
1 407 . 12 1 1 A 40 40 PRO CA C 40 63.232 62.422 0.810 1
1 408 . 12 1 1 A 40 40 PRO HA H 40 4.447 4.732 -0.285 1
1 409 . 12 1 1 A 40 40 PRO CB C 40 32.194 29.549 2.645 1
1 1 . 13 1 1 A 7 7 GLY CA C 7 45.432 45.939 -0.507 1
1 2 . 13 1 1 A 7 7 GLY C C 7 174.065 172.257 1.808 1
1 3 . 13 1 1 A 8 8 ALA N N 8 123.769 124.253 -0.484 1
1 4 . 13 1 1 A 8 8 ALA H H 8 8.183 8.286 -0.103 1
1 5 . 13 1 1 A 8 8 ALA CA C 8 52.778 51.579 1.199 1
1 6 . 13 1 1 A 8 8 ALA HA H 8 4.313 5.159 -0.846 1
1 7 . 13 1 1 A 8 8 ALA CB C 8 19.382 21.948 -2.566 1
1 11 . 13 1 1 A 8 8 ALA C C 8 178.301 176.176 2.125 1
1 12 . 13 1 1 A 9 9 GLY N N 9 108.153 109.821 -1.668 1
1 13 . 13 1 1 A 9 9 GLY H H 9 8.410 8.372 0.038 1
1 14 . 13 1 1 A 9 9 GLY CA C 9 45.309 46.176 -0.867 1
1 15 . 13 1 1 A 9 9 GLY HA3 H 9 3.926 4.186 -0.260 1
1 16 . 13 1 1 A 9 9 GLY C C 9 174.030 174.419 -0.389 1
1 17 . 13 1 1 A 9 9 GLY HA2 H 9 3.926 4.184 -0.258 1
1 18 . 13 1 1 A 10 10 LYS N N 10 120.547 124.742 -4.195 1
1 19 . 13 1 1 A 10 10 LYS H H 10 8.067 8.561 -0.494 1
1 20 . 13 1 1 A 10 10 LYS CA C 10 56.267 59.000 -2.733 1
1 21 . 13 1 1 A 10 10 LYS HA H 10 4.277 4.144 0.133 1
1 22 . 13 1 1 A 10 10 LYS CB C 10 33.167 32.008 1.159 1
1 30 . 13 1 1 A 10 10 LYS C C 10 176.363 176.534 -0.171 1
1 35 . 13 1 1 A 11 11 LYS N N 11 122.689 119.618 3.071 1
1 36 . 13 1 1 A 11 11 LYS H H 11 8.290 7.488 0.802 1
1 37 . 13 1 1 A 11 11 LYS CA C 11 56.098 56.271 -0.173 1
1 38 . 13 1 1 A 11 11 LYS HA H 11 4.180 4.302 -0.122 1
1 39 . 13 1 1 A 11 11 LYS CB C 11 32.953 33.713 -0.760 1
1 46 . 13 1 1 A 11 11 LYS C C 11 175.249 176.008 -0.759 1
1 51 . 13 1 1 A 12 12 LEU N N 12 121.792 122.037 -0.245 1
1 52 . 13 1 1 A 12 12 LEU H H 12 7.790 8.621 -0.831 1
1 53 . 13 1 1 A 12 12 LEU CA C 12 54.202 54.553 -0.351 1
1 54 . 13 1 1 A 12 12 LEU HA H 12 4.419 4.487 -0.068 1
1 55 . 13 1 1 A 12 12 LEU CB C 12 44.011 43.638 0.373 1
1 67 . 13 1 1 A 12 12 LEU C C 12 176.086 176.504 -0.418 1
1 69 . 13 1 1 A 13 13 PHE N N 13 121.077 118.459 2.618 1
1 70 . 13 1 1 A 13 13 PHE H H 13 8.628 7.669 0.959 1
1 71 . 13 1 1 A 13 13 PHE CA C 13 57.309 56.323 0.986 1
1 72 . 13 1 1 A 13 13 PHE HA H 13 4.578 5.332 -0.754 1
1 73 . 13 1 1 A 13 13 PHE CB C 13 40.107 43.276 -3.169 1
1 85 . 13 1 1 A 13 13 PHE C C 13 174.502 174.021 0.481 1
1 87 . 13 1 1 A 14 14 LYS N N 14 124.720 122.614 2.106 1
1 88 . 13 1 1 A 14 14 LYS H H 14 8.757 9.023 -0.266 1
1 89 . 13 1 1 A 14 14 LYS CA C 14 55.088 54.901 0.187 1
1 90 . 13 1 1 A 14 14 LYS HA H 14 4.866 5.039 -0.173 1
1 91 . 13 1 1 A 14 14 LYS CB C 14 35.570 36.313 -0.743 1
1 99 . 13 1 1 A 14 14 LYS C C 14 174.832 175.108 -0.276 1
1 104 . 13 1 1 A 15 15 CYS N N 15 127.003 126.707 0.296 1
1 105 . 13 1 1 A 15 15 CYS H H 15 8.884 8.907 -0.023 1
1 106 . 13 1 1 A 15 15 CYS CA C 15 59.640 58.916 0.724 1
1 107 . 13 1 1 A 15 15 CYS HA H 15 4.497 4.700 -0.203 1
1 108 . 13 1 1 A 15 15 CYS CB C 15 29.562 28.377 1.185 1
1 110 . 13 1 1 A 15 15 CYS C C 15 176.310 175.897 0.413 1
1 112 . 13 1 1 A 16 16 ASN N N 16 128.404 125.901 2.503 1
1 113 . 13 1 1 A 16 16 ASN H H 16 9.250 8.978 0.272 1
1 114 . 13 1 1 A 16 16 ASN CA C 16 55.576 53.108 2.468 1
1 115 . 13 1 1 A 16 16 ASN HA H 16 4.554 4.911 -0.357 1
1 116 . 13 1 1 A 16 16 ASN CB C 16 38.591 38.764 -0.173 1
1 121 . 13 1 1 A 16 16 ASN C C 16 175.713 175.598 0.115 1
1 123 . 13 1 1 A 17 17 GLU N N 17 120.824 117.979 2.845 1
1 124 . 13 1 1 A 17 17 GLU H H 17 8.813 7.914 0.899 1
1 125 . 13 1 1 A 17 17 GLU CA C 17 58.125 56.826 1.299 1
1 126 . 13 1 1 A 17 17 GLU HA H 17 4.242 4.394 -0.152 1
1 127 . 13 1 1 A 17 17 GLU CB C 17 29.807 32.045 -2.238 1
1 131 . 13 1 1 A 17 17 GLU C C 17 176.504 177.524 -1.020 1
1 134 . 13 1 1 A 18 18 CYS N N 18 116.605 114.655 1.950 1
1 135 . 13 1 1 A 18 18 CYS H H 18 7.948 7.834 0.114 1
1 136 . 13 1 1 A 18 18 CYS CA C 18 58.408 58.010 0.398 1
1 137 . 13 1 1 A 18 18 CYS HA H 18 5.061 4.582 0.479 1
1 138 . 13 1 1 A 18 18 CYS CB C 18 31.357 29.125 2.232 1
1 140 . 13 1 1 A 18 18 CYS C C 18 175.034 174.680 0.354 1
1 142 . 13 1 1 A 19 19 LYS N N 19 115.996 116.580 -0.584 1
1 143 . 13 1 1 A 19 19 LYS H H 19 8.013 7.660 0.353 1
1 144 . 13 1 1 A 19 19 LYS CA C 19 57.801 57.322 0.479 1
1 145 . 13 1 1 A 19 19 LYS HA H 19 4.131 3.950 0.181 1
1 146 . 13 1 1 A 19 19 LYS CB C 19 29.728 29.609 0.119 1
1 153 . 13 1 1 A 19 19 LYS C C 19 175.710 174.998 0.712 1
1 158 . 13 1 1 A 20 20 LYS N N 20 122.163 118.517 3.646 1
1 159 . 13 1 1 A 20 20 LYS H H 20 8.056 7.787 0.269 1
1 160 . 13 1 1 A 20 20 LYS CA C 20 58.153 55.098 3.055 1
1 161 . 13 1 1 A 20 20 LYS HA H 20 4.068 4.945 -0.877 1
1 162 . 13 1 1 A 20 20 LYS CB C 20 33.850 36.492 -2.642 1
1 170 . 13 1 1 A 20 20 LYS C C 20 175.054 174.462 0.592 1
1 175 . 13 1 1 A 21 21 THR N N 21 111.093 117.877 -6.784 1
1 176 . 13 1 1 A 21 21 THR H H 21 7.640 8.765 -1.125 1
1 177 . 13 1 1 A 21 21 THR CA C 21 59.789 59.799 -0.010 1
1 178 . 13 1 1 A 21 21 THR HA H 21 5.059 5.395 -0.336 1
1 179 . 13 1 1 A 21 21 THR CB C 21 71.613 72.459 -0.846 1
1 185 . 13 1 1 A 21 21 THR C C 21 173.193 172.471 0.722 1
1 186 . 13 1 1 A 22 22 PHE N N 22 117.679 121.824 -4.145 1
1 187 . 13 1 1 A 22 22 PHE H H 22 8.794 8.974 -0.180 1
1 188 . 13 1 1 A 22 22 PHE CA C 22 56.872 56.614 0.258 1
1 189 . 13 1 1 A 22 22 PHE HA H 22 4.857 4.927 -0.070 1
1 190 . 13 1 1 A 22 22 PHE CB C 22 43.851 41.925 1.926 1
1 202 . 13 1 1 A 22 22 PHE C C 22 175.647 176.353 -0.706 1
1 204 . 13 1 1 A 23 23 THR N N 23 111.367 117.618 -6.251 1
1 205 . 13 1 1 A 23 23 THR H H 23 8.994 8.512 0.482 1
1 206 . 13 1 1 A 23 23 THR CA C 23 62.862 66.319 -3.457 1
1 207 . 13 1 1 A 23 23 THR HA H 23 4.704 3.993 0.711 1
1 208 . 13 1 1 A 23 23 THR CB C 23 69.427 68.974 0.453 1
1 214 . 13 1 1 A 23 23 THR C C 23 174.807 175.167 -0.360 1
1 215 . 13 1 1 A 24 24 GLN N N 24 116.885 118.869 -1.984 1
1 216 . 13 1 1 A 24 24 GLN H H 24 7.420 8.087 -0.667 1
1 217 . 13 1 1 A 24 24 GLN CA C 24 54.233 54.264 -0.031 1
1 218 . 13 1 1 A 24 24 GLN HA H 24 4.695 5.085 -0.390 1
1 219 . 13 1 1 A 24 24 GLN CB C 24 32.047 32.386 -0.339 1
1 226 . 13 1 1 A 24 24 GLN C C 24 175.738 175.957 -0.219 1
1 229 . 13 1 1 A 25 25 SER CA C 25 60.953 60.714 0.239 1
1 230 . 13 1 1 A 25 25 SER HA H 25 3.007 3.042 -0.035 1
1 231 . 13 1 1 A 25 25 SER CB C 25 61.858 62.251 -0.393 1
1 234 . 13 1 1 A 26 26 SER CA C 26 60.852 61.672 -0.820 1
1 235 . 13 1 1 A 26 26 SER HA H 26 4.030 4.061 -0.031 1
1 236 . 13 1 1 A 26 26 SER CB C 26 61.476 63.043 -1.567 1
1 238 . 13 1 1 A 26 26 SER C C 26 176.745 176.366 0.379 1
1 240 . 13 1 1 A 27 27 SER N N 27 116.833 115.961 0.872 1
1 241 . 13 1 1 A 27 27 SER H H 27 6.854 7.922 -1.068 1
1 242 . 13 1 1 A 27 27 SER CA C 27 60.741 61.308 -0.567 1
1 243 . 13 1 1 A 27 27 SER HA H 27 4.159 4.166 -0.007 1
1 244 . 13 1 1 A 27 27 SER CB C 27 62.443 63.047 -0.604 1
1 246 . 13 1 1 A 27 27 SER C C 27 176.287 176.662 -0.375 1
1 248 . 13 1 1 A 28 28 LEU N N 28 123.878 122.805 1.073 1
1 249 . 13 1 1 A 28 28 LEU H H 28 6.955 7.915 -0.960 1
1 250 . 13 1 1 A 28 28 LEU CA C 28 57.843 57.443 0.400 1
1 251 . 13 1 1 A 28 28 LEU HA H 28 3.164 3.084 0.080 1
1 252 . 13 1 1 A 28 28 LEU CB C 28 40.011 41.357 -1.346 1
1 264 . 13 1 1 A 28 28 LEU C C 28 177.222 178.532 -1.310 1
1 266 . 13 1 1 A 29 29 THR N N 29 116.142 114.280 1.862 1
1 267 . 13 1 1 A 29 29 THR H H 29 8.071 7.809 0.262 1
1 268 . 13 1 1 A 29 29 THR CA C 29 66.739 66.535 0.204 1
1 269 . 13 1 1 A 29 29 THR HA H 29 3.894 3.796 0.098 1
1 270 . 13 1 1 A 29 29 THR CB C 29 68.480 68.541 -0.061 1
1 276 . 13 1 1 A 29 29 THR C C 29 176.872 176.461 0.411 1
1 277 . 13 1 1 A 30 30 VAL N N 30 119.927 120.400 -0.473 1
1 278 . 13 1 1 A 30 30 VAL H H 30 7.466 7.710 -0.244 1
1 279 . 13 1 1 A 30 30 VAL CA C 30 66.507 64.430 2.077 1
1 280 . 13 1 1 A 30 30 VAL HA H 30 3.515 3.798 -0.283 1
1 281 . 13 1 1 A 30 30 VAL CB C 30 32.190 31.475 0.715 1
1 291 . 13 1 1 A 30 30 VAL C C 30 178.591 177.240 1.351 1
1 292 . 13 1 1 A 31 31 HIS N N 31 120.154 120.969 -0.815 1
1 293 . 13 1 1 A 31 31 HIS H H 31 7.526 7.574 -0.048 1
1 294 . 13 1 1 A 31 31 HIS CA C 31 59.359 57.957 1.402 1
1 295 . 13 1 1 A 31 31 HIS HA H 31 4.162 4.209 -0.047 1
1 296 . 13 1 1 A 31 31 HIS CB C 31 28.537 30.258 -1.721 1
1 302 . 13 1 1 A 31 31 HIS C C 31 176.216 176.792 -0.576 1
1 304 . 13 1 1 A 32 32 GLN N N 32 114.689 118.284 -3.595 1
1 305 . 13 1 1 A 32 32 GLN H H 32 8.372 8.512 -0.140 1
1 306 . 13 1 1 A 32 32 GLN CA C 32 59.351 58.539 0.812 1
1 307 . 13 1 1 A 32 32 GLN HA H 32 3.669 3.827 -0.158 1
1 308 . 13 1 1 A 32 32 GLN CB C 32 28.390 28.619 -0.229 1
1 315 . 13 1 1 A 32 32 GLN C C 32 177.432 178.270 -0.838 1
1 318 . 13 1 1 A 33 33 ARG N N 33 117.675 117.872 -0.197 1
1 319 . 13 1 1 A 33 33 ARG H H 33 7.199 7.419 -0.220 1
1 320 . 13 1 1 A 33 33 ARG CA C 33 58.529 58.708 -0.179 1
1 321 . 13 1 1 A 33 33 ARG HA H 33 4.128 4.066 0.062 1
1 322 . 13 1 1 A 33 33 ARG CB C 33 30.081 29.461 0.620 1
1 328 . 13 1 1 A 33 33 ARG C C 33 178.711 178.395 0.316 1
1 332 . 13 1 1 A 34 34 ILE N N 34 116.218 120.811 -4.593 1
1 333 . 13 1 1 A 34 34 ILE H H 34 7.863 7.834 0.029 1
1 334 . 13 1 1 A 34 34 ILE CA C 34 63.114 64.893 -1.779 1
1 335 . 13 1 1 A 34 34 ILE HA H 34 3.948 3.617 0.331 1
1 336 . 13 1 1 A 34 34 ILE CB C 34 37.777 37.526 0.251 1
1 348 . 13 1 1 A 34 34 ILE C C 34 177.391 177.710 -0.319 1
1 350 . 13 1 1 A 35 35 HIS N N 35 117.652 118.101 -0.449 1
1 351 . 13 1 1 A 35 35 HIS H H 35 7.196 7.311 -0.115 1
1 352 . 13 1 1 A 35 35 HIS CA C 35 55.169 59.436 -4.267 1
1 353 . 13 1 1 A 35 35 HIS HA H 35 4.838 4.346 0.492 1
1 354 . 13 1 1 A 35 35 HIS CB C 35 28.595 30.949 -2.354 1
1 360 . 13 1 1 A 35 35 HIS C C 35 175.849 176.011 -0.162 1
1 362 . 13 1 1 A 36 36 THR N N 36 111.767 111.894 -0.127 1
1 363 . 13 1 1 A 36 36 THR H H 36 7.785 7.896 -0.111 1
1 364 . 13 1 1 A 36 36 THR CA C 36 62.507 60.944 1.563 1
1 365 . 13 1 1 A 36 36 THR HA H 36 4.335 4.441 -0.106 1
1 366 . 13 1 1 A 36 36 THR CB C 36 69.809 69.605 0.204 1
1 372 . 13 1 1 A 36 36 THR C C 36 175.513 175.376 0.137 1
1 373 . 13 1 1 A 37 37 GLY N N 37 110.668 109.449 1.219 1
1 374 . 13 1 1 A 37 37 GLY H H 37 8.239 7.541 0.698 1
1 375 . 13 1 1 A 37 37 GLY CA C 37 45.371 45.689 -0.318 1
1 376 . 13 1 1 A 37 37 GLY HA3 H 37 3.945 4.105 -0.160 1
1 377 . 13 1 1 A 37 37 GLY C C 37 174.036 173.371 0.665 1
1 378 . 13 1 1 A 37 37 GLY HA2 H 37 4.006 4.092 -0.086 1
1 379 . 13 1 1 A 38 38 GLU N N 38 120.549 119.423 1.126 1
1 380 . 13 1 1 A 38 38 GLU H H 38 8.080 8.018 0.062 1
1 381 . 13 1 1 A 38 38 GLU CA C 38 56.482 54.710 1.772 1
1 382 . 13 1 1 A 38 38 GLU HA H 38 4.228 4.718 -0.490 1
1 383 . 13 1 1 A 38 38 GLU CB C 38 30.588 32.765 -2.177 1
1 387 . 13 1 1 A 38 38 GLU C C 38 176.186 175.972 0.214 1
1 390 . 13 1 1 A 39 39 LYS N N 39 123.911 123.850 0.061 1
1 391 . 13 1 1 A 39 39 LYS H H 39 8.412 8.346 0.066 1
1 392 . 13 1 1 A 39 39 LYS CA C 39 54.143 55.373 -1.230 1
1 393 . 13 1 1 A 39 39 LYS HA H 39 4.596 4.306 0.290 1
1 394 . 13 1 1 A 39 39 LYS CB C 39 32.571 31.981 0.590 1
1 402 . 13 1 1 A 39 39 LYS C C 39 174.511 174.808 -0.297 1
1 407 . 13 1 1 A 40 40 PRO CA C 40 63.232 62.379 0.853 1
1 408 . 13 1 1 A 40 40 PRO HA H 40 4.447 4.533 -0.086 1
1 409 . 13 1 1 A 40 40 PRO CB C 40 32.194 33.089 -0.895 1
1 1 . 14 1 1 A 7 7 GLY CA C 7 45.432 45.154 0.278 1
1 2 . 14 1 1 A 7 7 GLY C C 7 174.065 174.442 -0.377 1
1 3 . 14 1 1 A 8 8 ALA N N 8 123.769 122.940 0.829 1
1 4 . 14 1 1 A 8 8 ALA H H 8 8.183 9.031 -0.848 1
1 5 . 14 1 1 A 8 8 ALA CA C 8 52.778 53.261 -0.483 1
1 6 . 14 1 1 A 8 8 ALA HA H 8 4.313 3.914 0.399 1
1 7 . 14 1 1 A 8 8 ALA CB C 8 19.382 17.560 1.822 1
1 11 . 14 1 1 A 8 8 ALA C C 8 178.301 177.406 0.895 1
1 12 . 14 1 1 A 9 9 GLY N N 9 108.153 104.603 3.550 1
1 13 . 14 1 1 A 9 9 GLY H H 9 8.410 7.942 0.468 1
1 14 . 14 1 1 A 9 9 GLY CA C 9 45.309 45.759 -0.450 1
1 15 . 14 1 1 A 9 9 GLY HA3 H 9 3.926 3.931 -0.005 1
1 16 . 14 1 1 A 9 9 GLY C C 9 174.030 174.990 -0.960 1
1 17 . 14 1 1 A 9 9 GLY HA2 H 9 3.926 3.923 0.003 1
1 18 . 14 1 1 A 10 10 LYS N N 10 120.547 123.222 -2.675 1
1 19 . 14 1 1 A 10 10 LYS H H 10 8.067 8.598 -0.531 1
1 20 . 14 1 1 A 10 10 LYS CA C 10 56.267 59.000 -2.733 1
1 21 . 14 1 1 A 10 10 LYS HA H 10 4.277 4.088 0.189 1
1 22 . 14 1 1 A 10 10 LYS CB C 10 33.167 32.377 0.790 1
1 30 . 14 1 1 A 10 10 LYS C C 10 176.363 175.920 0.443 1
1 35 . 14 1 1 A 11 11 LYS N N 11 122.689 119.429 3.260 1
1 36 . 14 1 1 A 11 11 LYS H H 11 8.290 7.622 0.668 1
1 37 . 14 1 1 A 11 11 LYS CA C 11 56.098 54.816 1.282 1
1 38 . 14 1 1 A 11 11 LYS HA H 11 4.180 4.703 -0.523 1
1 39 . 14 1 1 A 11 11 LYS CB C 11 32.953 35.274 -2.321 1
1 46 . 14 1 1 A 11 11 LYS C C 11 175.249 175.335 -0.086 1
1 51 . 14 1 1 A 12 12 LEU N N 12 121.792 121.555 0.237 1
1 52 . 14 1 1 A 12 12 LEU H H 12 7.790 8.509 -0.719 1
1 53 . 14 1 1 A 12 12 LEU CA C 12 54.202 54.487 -0.285 1
1 54 . 14 1 1 A 12 12 LEU HA H 12 4.419 4.456 -0.037 1
1 55 . 14 1 1 A 12 12 LEU CB C 12 44.011 43.895 0.116 1
1 67 . 14 1 1 A 12 12 LEU C C 12 176.086 176.577 -0.491 1
1 69 . 14 1 1 A 13 13 PHE N N 13 121.077 118.362 2.715 1
1 70 . 14 1 1 A 13 13 PHE H H 13 8.628 7.611 1.017 1
1 71 . 14 1 1 A 13 13 PHE CA C 13 57.309 56.489 0.820 1
1 72 . 14 1 1 A 13 13 PHE HA H 13 4.578 5.337 -0.759 1
1 73 . 14 1 1 A 13 13 PHE CB C 13 40.107 42.806 -2.699 1
1 85 . 14 1 1 A 13 13 PHE C C 13 174.502 174.046 0.456 1
1 87 . 14 1 1 A 14 14 LYS N N 14 124.720 123.095 1.625 1
1 88 . 14 1 1 A 14 14 LYS H H 14 8.757 9.066 -0.309 1
1 89 . 14 1 1 A 14 14 LYS CA C 14 55.088 54.706 0.382 1
1 90 . 14 1 1 A 14 14 LYS HA H 14 4.866 5.171 -0.305 1
1 91 . 14 1 1 A 14 14 LYS CB C 14 35.570 36.041 -0.471 1
1 99 . 14 1 1 A 14 14 LYS C C 14 174.832 174.353 0.479 1
1 104 . 14 1 1 A 15 15 CYS N N 15 127.003 124.355 2.648 1
1 105 . 14 1 1 A 15 15 CYS H H 15 8.884 9.076 -0.192 1
1 106 . 14 1 1 A 15 15 CYS CA C 15 59.640 58.394 1.246 1
1 107 . 14 1 1 A 15 15 CYS HA H 15 4.497 4.863 -0.366 1
1 108 . 14 1 1 A 15 15 CYS CB C 15 29.562 29.562 0.000 1
1 110 . 14 1 1 A 15 15 CYS C C 15 176.310 176.009 0.301 1
1 112 . 14 1 1 A 16 16 ASN N N 16 128.404 126.672 1.732 1
1 113 . 14 1 1 A 16 16 ASN H H 16 9.250 9.136 0.114 1
1 114 . 14 1 1 A 16 16 ASN CA C 16 55.576 53.474 2.102 1
1 115 . 14 1 1 A 16 16 ASN HA H 16 4.554 4.942 -0.388 1
1 116 . 14 1 1 A 16 16 ASN CB C 16 38.591 38.750 -0.159 1
1 121 . 14 1 1 A 16 16 ASN C C 16 175.713 175.730 -0.017 1
1 123 . 14 1 1 A 17 17 GLU N N 17 120.824 117.586 3.238 1
1 124 . 14 1 1 A 17 17 GLU H H 17 8.813 8.031 0.782 1
1 125 . 14 1 1 A 17 17 GLU CA C 17 58.125 56.974 1.151 1
1 126 . 14 1 1 A 17 17 GLU HA H 17 4.242 4.466 -0.224 1
1 127 . 14 1 1 A 17 17 GLU CB C 17 29.807 32.453 -2.646 1
1 131 . 14 1 1 A 17 17 GLU C C 17 176.504 177.534 -1.030 1
1 134 . 14 1 1 A 18 18 CYS N N 18 116.605 115.176 1.429 1
1 135 . 14 1 1 A 18 18 CYS H H 18 7.948 7.932 0.016 1
1 136 . 14 1 1 A 18 18 CYS CA C 18 58.408 57.808 0.600 1
1 137 . 14 1 1 A 18 18 CYS HA H 18 5.061 4.607 0.454 1
1 138 . 14 1 1 A 18 18 CYS CB C 18 31.357 28.164 3.193 1
1 140 . 14 1 1 A 18 18 CYS C C 18 175.034 174.605 0.429 1
1 142 . 14 1 1 A 19 19 LYS N N 19 115.996 115.859 0.137 1
1 143 . 14 1 1 A 19 19 LYS H H 19 8.013 7.666 0.347 1
1 144 . 14 1 1 A 19 19 LYS CA C 19 57.801 57.343 0.458 1
1 145 . 14 1 1 A 19 19 LYS HA H 19 4.131 4.070 0.061 1
1 146 . 14 1 1 A 19 19 LYS CB C 19 29.728 29.847 -0.119 1
1 153 . 14 1 1 A 19 19 LYS C C 19 175.710 174.723 0.987 1
1 158 . 14 1 1 A 20 20 LYS N N 20 122.163 118.924 3.239 1
1 159 . 14 1 1 A 20 20 LYS H H 20 8.056 7.835 0.221 1
1 160 . 14 1 1 A 20 20 LYS CA C 20 58.153 54.865 3.288 1
1 161 . 14 1 1 A 20 20 LYS HA H 20 4.068 4.831 -0.763 1
1 162 . 14 1 1 A 20 20 LYS CB C 20 33.850 35.604 -1.754 1
1 170 . 14 1 1 A 20 20 LYS C C 20 175.054 175.649 -0.595 1
1 175 . 14 1 1 A 21 21 THR N N 21 111.093 113.797 -2.704 1
1 176 . 14 1 1 A 21 21 THR H H 21 7.640 8.708 -1.068 1
1 177 . 14 1 1 A 21 21 THR CA C 21 59.789 59.285 0.504 1
1 178 . 14 1 1 A 21 21 THR HA H 21 5.059 5.437 -0.378 1
1 179 . 14 1 1 A 21 21 THR CB C 21 71.613 72.116 -0.503 1
1 185 . 14 1 1 A 21 21 THR C C 21 173.193 173.217 -0.024 1
1 186 . 14 1 1 A 22 22 PHE N N 22 117.679 118.013 -0.334 1
1 187 . 14 1 1 A 22 22 PHE H H 22 8.794 8.716 0.078 1
1 188 . 14 1 1 A 22 22 PHE CA C 22 56.872 56.875 -0.003 1
1 189 . 14 1 1 A 22 22 PHE HA H 22 4.857 4.926 -0.069 1
1 190 . 14 1 1 A 22 22 PHE CB C 22 43.851 42.747 1.104 1
1 202 . 14 1 1 A 22 22 PHE C C 22 175.647 176.076 -0.429 1
1 204 . 14 1 1 A 23 23 THR N N 23 111.367 117.368 -6.001 1
1 205 . 14 1 1 A 23 23 THR H H 23 8.994 8.624 0.370 1
1 206 . 14 1 1 A 23 23 THR CA C 23 62.862 66.459 -3.597 1
1 207 . 14 1 1 A 23 23 THR HA H 23 4.704 3.962 0.742 1
1 208 . 14 1 1 A 23 23 THR CB C 23 69.427 68.809 0.618 1
1 214 . 14 1 1 A 23 23 THR C C 23 174.807 175.153 -0.346 1
1 215 . 14 1 1 A 24 24 GLN N N 24 116.885 119.159 -2.274 1
1 216 . 14 1 1 A 24 24 GLN H H 24 7.420 8.091 -0.671 1
1 217 . 14 1 1 A 24 24 GLN CA C 24 54.233 54.228 0.005 1
1 218 . 14 1 1 A 24 24 GLN HA H 24 4.695 5.112 -0.417 1
1 219 . 14 1 1 A 24 24 GLN CB C 24 32.047 32.380 -0.333 1
1 226 . 14 1 1 A 24 24 GLN C C 24 175.738 176.184 -0.446 1
1 229 . 14 1 1 A 25 25 SER CA C 25 60.953 60.876 0.077 1
1 230 . 14 1 1 A 25 25 SER HA H 25 3.007 3.664 -0.657 1
1 231 . 14 1 1 A 25 25 SER CB C 25 61.858 61.826 0.032 1
1 234 . 14 1 1 A 26 26 SER CA C 26 60.852 61.586 -0.734 1
1 235 . 14 1 1 A 26 26 SER HA H 26 4.030 4.048 -0.018 1
1 236 . 14 1 1 A 26 26 SER CB C 26 61.476 62.927 -1.451 1
1 238 . 14 1 1 A 26 26 SER C C 26 176.745 176.230 0.515 1
1 240 . 14 1 1 A 27 27 SER N N 27 116.833 116.121 0.712 1
1 241 . 14 1 1 A 27 27 SER H H 27 6.854 7.960 -1.106 1
1 242 . 14 1 1 A 27 27 SER CA C 27 60.741 61.358 -0.617 1
1 243 . 14 1 1 A 27 27 SER HA H 27 4.159 4.056 0.103 1
1 244 . 14 1 1 A 27 27 SER CB C 27 62.443 62.926 -0.483 1
1 246 . 14 1 1 A 27 27 SER C C 27 176.287 177.018 -0.731 1
1 248 . 14 1 1 A 28 28 LEU N N 28 123.878 122.298 1.580 1
1 249 . 14 1 1 A 28 28 LEU H H 28 6.955 7.893 -0.938 1
1 250 . 14 1 1 A 28 28 LEU CA C 28 57.843 57.561 0.282 1
1 251 . 14 1 1 A 28 28 LEU HA H 28 3.164 3.436 -0.272 1
1 252 . 14 1 1 A 28 28 LEU CB C 28 40.011 41.671 -1.660 1
1 264 . 14 1 1 A 28 28 LEU C C 28 177.222 178.590 -1.368 1
1 266 . 14 1 1 A 29 29 THR N N 29 116.142 114.434 1.708 1
1 267 . 14 1 1 A 29 29 THR H H 29 8.071 7.871 0.200 1
1 268 . 14 1 1 A 29 29 THR CA C 29 66.739 66.707 0.032 1
1 269 . 14 1 1 A 29 29 THR HA H 29 3.894 3.869 0.025 1
1 270 . 14 1 1 A 29 29 THR CB C 29 68.480 68.631 -0.151 1
1 276 . 14 1 1 A 29 29 THR C C 29 176.872 176.177 0.695 1
1 277 . 14 1 1 A 30 30 VAL N N 30 119.927 119.985 -0.058 1
1 278 . 14 1 1 A 30 30 VAL H H 30 7.466 7.866 -0.400 1
1 279 . 14 1 1 A 30 30 VAL CA C 30 66.507 64.734 1.773 1
1 280 . 14 1 1 A 30 30 VAL HA H 30 3.515 3.760 -0.245 1
1 281 . 14 1 1 A 30 30 VAL CB C 30 32.190 31.193 0.997 1
1 291 . 14 1 1 A 30 30 VAL C C 30 178.591 177.212 1.379 1
1 292 . 14 1 1 A 31 31 HIS N N 31 120.154 120.824 -0.670 1
1 293 . 14 1 1 A 31 31 HIS H H 31 7.526 7.384 0.142 1
1 294 . 14 1 1 A 31 31 HIS CA C 31 59.359 58.125 1.234 1
1 295 . 14 1 1 A 31 31 HIS HA H 31 4.162 4.159 0.003 1
1 296 . 14 1 1 A 31 31 HIS CB C 31 28.537 30.206 -1.669 1
1 302 . 14 1 1 A 31 31 HIS C C 31 176.216 176.863 -0.647 1
1 304 . 14 1 1 A 32 32 GLN N N 32 114.689 118.104 -3.415 1
1 305 . 14 1 1 A 32 32 GLN H H 32 8.372 8.330 0.042 1
1 306 . 14 1 1 A 32 32 GLN CA C 32 59.351 58.111 1.240 1
1 307 . 14 1 1 A 32 32 GLN HA H 32 3.669 3.800 -0.131 1
1 308 . 14 1 1 A 32 32 GLN CB C 32 28.390 28.547 -0.157 1
1 315 . 14 1 1 A 32 32 GLN C C 32 177.432 177.197 0.235 1
1 318 . 14 1 1 A 33 33 ARG N N 33 117.675 116.978 0.697 1
1 319 . 14 1 1 A 33 33 ARG H H 33 7.199 7.918 -0.719 1
1 320 . 14 1 1 A 33 33 ARG CA C 33 58.529 57.675 0.854 1
1 321 . 14 1 1 A 33 33 ARG HA H 33 4.128 4.100 0.028 1
1 322 . 14 1 1 A 33 33 ARG CB C 33 30.081 30.471 -0.390 1
1 328 . 14 1 1 A 33 33 ARG C C 33 178.711 177.502 1.209 1
1 332 . 14 1 1 A 34 34 ILE N N 34 116.218 120.405 -4.187 1
1 333 . 14 1 1 A 34 34 ILE H H 34 7.863 7.490 0.373 1
1 334 . 14 1 1 A 34 34 ILE CA C 34 63.114 64.697 -1.583 1
1 335 . 14 1 1 A 34 34 ILE HA H 34 3.948 3.606 0.342 1
1 336 . 14 1 1 A 34 34 ILE CB C 34 37.777 37.783 -0.006 1
1 348 . 14 1 1 A 34 34 ILE C C 34 177.391 178.147 -0.756 1
1 350 . 14 1 1 A 35 35 HIS N N 35 117.652 118.592 -0.940 1
1 351 . 14 1 1 A 35 35 HIS H H 35 7.196 7.451 -0.255 1
1 352 . 14 1 1 A 35 35 HIS CA C 35 55.169 59.152 -3.983 1
1 353 . 14 1 1 A 35 35 HIS HA H 35 4.838 4.249 0.589 1
1 354 . 14 1 1 A 35 35 HIS CB C 35 28.595 30.107 -1.512 1
1 360 . 14 1 1 A 35 35 HIS C C 35 175.849 176.422 -0.573 1
1 362 . 14 1 1 A 36 36 THR N N 36 111.767 108.846 2.921 1
1 363 . 14 1 1 A 36 36 THR H H 36 7.785 7.756 0.029 1
1 364 . 14 1 1 A 36 36 THR CA C 36 62.507 61.282 1.225 1
1 365 . 14 1 1 A 36 36 THR HA H 36 4.335 4.295 0.040 1
1 366 . 14 1 1 A 36 36 THR CB C 36 69.809 68.919 0.890 1
1 372 . 14 1 1 A 36 36 THR C C 36 175.513 174.413 1.100 1
1 373 . 14 1 1 A 37 37 GLY N N 37 110.668 109.336 1.332 1
1 374 . 14 1 1 A 37 37 GLY H H 37 8.239 7.562 0.677 1
1 375 . 14 1 1 A 37 37 GLY CA C 37 45.371 45.530 -0.159 1
1 376 . 14 1 1 A 37 37 GLY HA3 H 37 3.945 4.007 -0.062 1
1 377 . 14 1 1 A 37 37 GLY C C 37 174.036 174.597 -0.561 1
1 378 . 14 1 1 A 37 37 GLY HA2 H 37 4.006 3.999 0.007 1
1 379 . 14 1 1 A 38 38 GLU N N 38 120.549 120.944 -0.395 1
1 380 . 14 1 1 A 38 38 GLU H H 38 8.080 8.073 0.007 1
1 381 . 14 1 1 A 38 38 GLU CA C 38 56.482 56.014 0.468 1
1 382 . 14 1 1 A 38 38 GLU HA H 38 4.228 4.420 -0.192 1
1 383 . 14 1 1 A 38 38 GLU CB C 38 30.588 30.335 0.253 1
1 387 . 14 1 1 A 38 38 GLU C C 38 176.186 176.414 -0.228 1
1 390 . 14 1 1 A 39 39 LYS N N 39 123.911 118.919 4.992 1
1 391 . 14 1 1 A 39 39 LYS H H 39 8.412 8.910 -0.498 1
1 392 . 14 1 1 A 39 39 LYS CA C 39 54.143 56.934 -2.791 1
1 393 . 14 1 1 A 39 39 LYS HA H 39 4.596 3.772 0.824 1
1 394 . 14 1 1 A 39 39 LYS CB C 39 32.571 30.709 1.862 1
1 402 . 14 1 1 A 39 39 LYS C C 39 174.511 175.386 -0.875 1
1 407 . 14 1 1 A 40 40 PRO CA C 40 63.232 62.490 0.742 1
1 408 . 14 1 1 A 40 40 PRO HA H 40 4.447 4.660 -0.213 1
1 409 . 14 1 1 A 40 40 PRO CB C 40 32.194 30.104 2.090 1
1 1 . 15 1 1 A 7 7 GLY CA C 7 45.432 45.619 -0.187 1
1 2 . 15 1 1 A 7 7 GLY C C 7 174.065 172.703 1.362 1
1 3 . 15 1 1 A 8 8 ALA N N 8 123.769 124.954 -1.185 1
1 4 . 15 1 1 A 8 8 ALA H H 8 8.183 8.491 -0.308 1
1 5 . 15 1 1 A 8 8 ALA CA C 8 52.778 51.241 1.537 1
1 6 . 15 1 1 A 8 8 ALA HA H 8 4.313 4.857 -0.544 1
1 7 . 15 1 1 A 8 8 ALA CB C 8 19.382 21.909 -2.527 1
1 11 . 15 1 1 A 8 8 ALA C C 8 178.301 176.593 1.708 1
1 12 . 15 1 1 A 9 9 GLY N N 9 108.153 106.058 2.095 1
1 13 . 15 1 1 A 9 9 GLY H H 9 8.410 8.352 0.058 1
1 14 . 15 1 1 A 9 9 GLY CA C 9 45.309 46.555 -1.246 1
1 15 . 15 1 1 A 9 9 GLY HA3 H 9 3.926 3.911 0.015 1
1 16 . 15 1 1 A 9 9 GLY C C 9 174.030 174.831 -0.801 1
1 17 . 15 1 1 A 9 9 GLY HA2 H 9 3.926 3.910 0.016 1
1 18 . 15 1 1 A 10 10 LYS N N 10 120.547 124.368 -3.821 1
1 19 . 15 1 1 A 10 10 LYS H H 10 8.067 8.528 -0.461 1
1 20 . 15 1 1 A 10 10 LYS CA C 10 56.267 58.125 -1.858 1
1 21 . 15 1 1 A 10 10 LYS HA H 10 4.277 4.228 0.049 1
1 22 . 15 1 1 A 10 10 LYS CB C 10 33.167 32.593 0.574 1
1 30 . 15 1 1 A 10 10 LYS C C 10 176.363 176.151 0.212 1
1 35 . 15 1 1 A 11 11 LYS N N 11 122.689 120.230 2.459 1
1 36 . 15 1 1 A 11 11 LYS H H 11 8.290 7.500 0.790 1
1 37 . 15 1 1 A 11 11 LYS CA C 11 56.098 56.960 -0.862 1
1 38 . 15 1 1 A 11 11 LYS HA H 11 4.180 4.225 -0.045 1
1 39 . 15 1 1 A 11 11 LYS CB C 11 32.953 32.985 -0.032 1
1 46 . 15 1 1 A 11 11 LYS C C 11 175.249 176.122 -0.873 1
1 51 . 15 1 1 A 12 12 LEU N N 12 121.792 122.210 -0.418 1
1 52 . 15 1 1 A 12 12 LEU H H 12 7.790 8.674 -0.884 1
1 53 . 15 1 1 A 12 12 LEU CA C 12 54.202 54.572 -0.370 1
1 54 . 15 1 1 A 12 12 LEU HA H 12 4.419 4.439 -0.020 1
1 55 . 15 1 1 A 12 12 LEU CB C 12 44.011 43.238 0.773 1
1 67 . 15 1 1 A 12 12 LEU C C 12 176.086 176.734 -0.648 1
1 69 . 15 1 1 A 13 13 PHE N N 13 121.077 117.593 3.484 1
1 70 . 15 1 1 A 13 13 PHE H H 13 8.628 7.604 1.024 1
1 71 . 15 1 1 A 13 13 PHE CA C 13 57.309 56.336 0.973 1
1 72 . 15 1 1 A 13 13 PHE HA H 13 4.578 5.329 -0.751 1
1 73 . 15 1 1 A 13 13 PHE CB C 13 40.107 43.471 -3.364 1
1 85 . 15 1 1 A 13 13 PHE C C 13 174.502 174.130 0.372 1
1 87 . 15 1 1 A 14 14 LYS N N 14 124.720 122.868 1.852 1
1 88 . 15 1 1 A 14 14 LYS H H 14 8.757 9.036 -0.279 1
1 89 . 15 1 1 A 14 14 LYS CA C 14 55.088 54.523 0.565 1
1 90 . 15 1 1 A 14 14 LYS HA H 14 4.866 5.172 -0.306 1
1 91 . 15 1 1 A 14 14 LYS CB C 14 35.570 36.310 -0.740 1
1 99 . 15 1 1 A 14 14 LYS C C 14 174.832 174.233 0.599 1
1 104 . 15 1 1 A 15 15 CYS N N 15 127.003 125.009 1.994 1
1 105 . 15 1 1 A 15 15 CYS H H 15 8.884 9.214 -0.330 1
1 106 . 15 1 1 A 15 15 CYS CA C 15 59.640 57.659 1.981 1
1 107 . 15 1 1 A 15 15 CYS HA H 15 4.497 4.919 -0.422 1
1 108 . 15 1 1 A 15 15 CYS CB C 15 29.562 29.436 0.126 1
1 110 . 15 1 1 A 15 15 CYS C C 15 176.310 175.526 0.784 1
1 112 . 15 1 1 A 16 16 ASN N N 16 128.404 126.471 1.933 1
1 113 . 15 1 1 A 16 16 ASN H H 16 9.250 9.185 0.065 1
1 114 . 15 1 1 A 16 16 ASN CA C 16 55.576 52.389 3.187 1
1 115 . 15 1 1 A 16 16 ASN HA H 16 4.554 4.910 -0.356 1
1 116 . 15 1 1 A 16 16 ASN CB C 16 38.591 37.409 1.182 1
1 121 . 15 1 1 A 16 16 ASN C C 16 175.713 176.141 -0.428 1
1 123 . 15 1 1 A 17 17 GLU N N 17 120.824 120.245 0.579 1
1 124 . 15 1 1 A 17 17 GLU H H 17 8.813 7.990 0.823 1
1 125 . 15 1 1 A 17 17 GLU CA C 17 58.125 56.958 1.167 1
1 126 . 15 1 1 A 17 17 GLU HA H 17 4.242 4.468 -0.226 1
1 127 . 15 1 1 A 17 17 GLU CB C 17 29.807 32.455 -2.648 1
1 131 . 15 1 1 A 17 17 GLU C C 17 176.504 177.544 -1.040 1
1 134 . 15 1 1 A 18 18 CYS N N 18 116.605 114.592 2.013 1
1 135 . 15 1 1 A 18 18 CYS H H 18 7.948 7.893 0.055 1
1 136 . 15 1 1 A 18 18 CYS CA C 18 58.408 57.927 0.481 1
1 137 . 15 1 1 A 18 18 CYS HA H 18 5.061 4.609 0.452 1
1 138 . 15 1 1 A 18 18 CYS CB C 18 31.357 28.634 2.723 1
1 140 . 15 1 1 A 18 18 CYS C C 18 175.034 174.548 0.486 1
1 142 . 15 1 1 A 19 19 LYS N N 19 115.996 115.712 0.284 1
1 143 . 15 1 1 A 19 19 LYS H H 19 8.013 7.614 0.399 1
1 144 . 15 1 1 A 19 19 LYS CA C 19 57.801 57.285 0.516 1
1 145 . 15 1 1 A 19 19 LYS HA H 19 4.131 3.880 0.251 1
1 146 . 15 1 1 A 19 19 LYS CB C 19 29.728 29.761 -0.033 1
1 153 . 15 1 1 A 19 19 LYS C C 19 175.710 174.746 0.964 1
1 158 . 15 1 1 A 20 20 LYS N N 20 122.163 118.712 3.451 1
1 159 . 15 1 1 A 20 20 LYS H H 20 8.056 7.842 0.214 1
1 160 . 15 1 1 A 20 20 LYS CA C 20 58.153 54.834 3.319 1
1 161 . 15 1 1 A 20 20 LYS HA H 20 4.068 4.980 -0.912 1
1 162 . 15 1 1 A 20 20 LYS CB C 20 33.850 35.946 -2.096 1
1 170 . 15 1 1 A 20 20 LYS C C 20 175.054 175.547 -0.493 1
1 175 . 15 1 1 A 21 21 THR N N 21 111.093 114.676 -3.583 1
1 176 . 15 1 1 A 21 21 THR H H 21 7.640 8.815 -1.175 1
1 177 . 15 1 1 A 21 21 THR CA C 21 59.789 59.139 0.650 1
1 178 . 15 1 1 A 21 21 THR HA H 21 5.059 5.515 -0.456 1
1 179 . 15 1 1 A 21 21 THR CB C 21 71.613 72.291 -0.678 1
1 185 . 15 1 1 A 21 21 THR C C 21 173.193 173.730 -0.537 1
1 186 . 15 1 1 A 22 22 PHE N N 22 117.679 118.341 -0.662 1
1 187 . 15 1 1 A 22 22 PHE H H 22 8.794 8.893 -0.099 1
1 188 . 15 1 1 A 22 22 PHE CA C 22 56.872 56.514 0.358 1
1 189 . 15 1 1 A 22 22 PHE HA H 22 4.857 4.971 -0.114 1
1 190 . 15 1 1 A 22 22 PHE CB C 22 43.851 41.889 1.962 1
1 202 . 15 1 1 A 22 22 PHE C C 22 175.647 176.228 -0.581 1
1 204 . 15 1 1 A 23 23 THR N N 23 111.367 118.663 -7.296 1
1 205 . 15 1 1 A 23 23 THR H H 23 8.994 8.705 0.289 1
1 206 . 15 1 1 A 23 23 THR CA C 23 62.862 66.409 -3.547 1
1 207 . 15 1 1 A 23 23 THR HA H 23 4.704 3.940 0.764 1
1 208 . 15 1 1 A 23 23 THR CB C 23 69.427 68.892 0.535 1
1 214 . 15 1 1 A 23 23 THR C C 23 174.807 174.910 -0.103 1
1 215 . 15 1 1 A 24 24 GLN N N 24 116.885 118.783 -1.898 1
1 216 . 15 1 1 A 24 24 GLN H H 24 7.420 8.099 -0.679 1
1 217 . 15 1 1 A 24 24 GLN CA C 24 54.233 54.075 0.158 1
1 218 . 15 1 1 A 24 24 GLN HA H 24 4.695 5.082 -0.387 1
1 219 . 15 1 1 A 24 24 GLN CB C 24 32.047 32.163 -0.116 1
1 226 . 15 1 1 A 24 24 GLN C C 24 175.738 176.211 -0.473 1
1 229 . 15 1 1 A 25 25 SER CA C 25 60.953 60.928 0.025 1
1 230 . 15 1 1 A 25 25 SER HA H 25 3.007 3.868 -0.861 1
1 231 . 15 1 1 A 25 25 SER CB C 25 61.858 62.120 -0.262 1
1 234 . 15 1 1 A 26 26 SER CA C 26 60.852 61.510 -0.658 1
1 235 . 15 1 1 A 26 26 SER HA H 26 4.030 4.215 -0.185 1
1 236 . 15 1 1 A 26 26 SER CB C 26 61.476 62.498 -1.022 1
1 238 . 15 1 1 A 26 26 SER C C 26 176.745 177.081 -0.336 1
1 240 . 15 1 1 A 27 27 SER N N 27 116.833 116.223 0.610 1
1 241 . 15 1 1 A 27 27 SER H H 27 6.854 8.011 -1.157 1
1 242 . 15 1 1 A 27 27 SER CA C 27 60.741 62.316 -1.575 1
1 243 . 15 1 1 A 27 27 SER HA H 27 4.159 4.047 0.112 1
1 244 . 15 1 1 A 27 27 SER CB C 27 62.443 63.030 -0.587 1
1 246 . 15 1 1 A 27 27 SER C C 27 176.287 175.669 0.618 1
1 248 . 15 1 1 A 28 28 LEU N N 28 123.878 122.948 0.930 1
1 249 . 15 1 1 A 28 28 LEU H H 28 6.955 7.840 -0.885 1
1 250 . 15 1 1 A 28 28 LEU CA C 28 57.843 57.657 0.186 1
1 251 . 15 1 1 A 28 28 LEU HA H 28 3.164 3.085 0.079 1
1 252 . 15 1 1 A 28 28 LEU CB C 28 40.011 41.688 -1.677 1
1 264 . 15 1 1 A 28 28 LEU C C 28 177.222 178.460 -1.238 1
1 266 . 15 1 1 A 29 29 THR N N 29 116.142 114.220 1.922 1
1 267 . 15 1 1 A 29 29 THR H H 29 8.071 7.755 0.316 1
1 268 . 15 1 1 A 29 29 THR CA C 29 66.739 66.637 0.102 1
1 269 . 15 1 1 A 29 29 THR HA H 29 3.894 3.795 0.099 1
1 270 . 15 1 1 A 29 29 THR CB C 29 68.480 68.443 0.037 1
1 276 . 15 1 1 A 29 29 THR C C 29 176.872 176.067 0.805 1
1 277 . 15 1 1 A 30 30 VAL N N 30 119.927 120.217 -0.290 1
1 278 . 15 1 1 A 30 30 VAL H H 30 7.466 7.767 -0.301 1
1 279 . 15 1 1 A 30 30 VAL CA C 30 66.507 64.882 1.625 1
1 280 . 15 1 1 A 30 30 VAL HA H 30 3.515 3.610 -0.095 1
1 281 . 15 1 1 A 30 30 VAL CB C 30 32.190 31.258 0.932 1
1 291 . 15 1 1 A 30 30 VAL C C 30 178.591 177.191 1.400 1
1 292 . 15 1 1 A 31 31 HIS N N 31 120.154 120.963 -0.809 1
1 293 . 15 1 1 A 31 31 HIS H H 31 7.526 7.504 0.022 1
1 294 . 15 1 1 A 31 31 HIS CA C 31 59.359 59.014 0.345 1
1 295 . 15 1 1 A 31 31 HIS HA H 31 4.162 4.164 -0.002 1
1 296 . 15 1 1 A 31 31 HIS CB C 31 28.537 29.677 -1.140 1
1 302 . 15 1 1 A 31 31 HIS C C 31 176.216 176.810 -0.594 1
1 304 . 15 1 1 A 32 32 GLN N N 32 114.689 118.039 -3.350 1
1 305 . 15 1 1 A 32 32 GLN H H 32 8.372 8.456 -0.084 1
1 306 . 15 1 1 A 32 32 GLN CA C 32 59.351 58.580 0.771 1
1 307 . 15 1 1 A 32 32 GLN HA H 32 3.669 3.659 0.010 1
1 308 . 15 1 1 A 32 32 GLN CB C 32 28.390 28.471 -0.081 1
1 315 . 15 1 1 A 32 32 GLN C C 32 177.432 177.782 -0.350 1
1 318 . 15 1 1 A 33 33 ARG N N 33 117.675 118.369 -0.694 1
1 319 . 15 1 1 A 33 33 ARG H H 33 7.199 7.740 -0.541 1
1 320 . 15 1 1 A 33 33 ARG CA C 33 58.529 58.942 -0.413 1
1 321 . 15 1 1 A 33 33 ARG HA H 33 4.128 4.016 0.112 1
1 322 . 15 1 1 A 33 33 ARG CB C 33 30.081 29.883 0.198 1
1 328 . 15 1 1 A 33 33 ARG C C 33 178.711 178.551 0.160 1
1 332 . 15 1 1 A 34 34 ILE N N 34 116.218 120.038 -3.820 1
1 333 . 15 1 1 A 34 34 ILE H H 34 7.863 7.591 0.272 1
1 334 . 15 1 1 A 34 34 ILE CA C 34 63.114 65.016 -1.902 1
1 335 . 15 1 1 A 34 34 ILE HA H 34 3.948 3.620 0.328 1
1 336 . 15 1 1 A 34 34 ILE CB C 34 37.777 37.528 0.249 1
1 348 . 15 1 1 A 34 34 ILE C C 34 177.391 177.616 -0.225 1
1 350 . 15 1 1 A 35 35 HIS N N 35 117.652 119.072 -1.420 1
1 351 . 15 1 1 A 35 35 HIS H H 35 7.196 7.211 -0.015 1
1 352 . 15 1 1 A 35 35 HIS CA C 35 55.169 60.191 -5.022 1
1 353 . 15 1 1 A 35 35 HIS HA H 35 4.838 4.187 0.651 1
1 354 . 15 1 1 A 35 35 HIS CB C 35 28.595 30.584 -1.989 1
1 360 . 15 1 1 A 35 35 HIS C C 35 175.849 177.728 -1.879 1
1 362 . 15 1 1 A 36 36 THR N N 36 111.767 111.692 0.075 1
1 363 . 15 1 1 A 36 36 THR H H 36 7.785 7.470 0.315 1
1 364 . 15 1 1 A 36 36 THR CA C 36 62.507 63.719 -1.212 1
1 365 . 15 1 1 A 36 36 THR HA H 36 4.335 4.098 0.237 1
1 366 . 15 1 1 A 36 36 THR CB C 36 69.809 69.513 0.296 1
1 372 . 15 1 1 A 36 36 THR C C 36 175.513 175.276 0.237 1
1 373 . 15 1 1 A 37 37 GLY N N 37 110.668 108.903 1.765 1
1 374 . 15 1 1 A 37 37 GLY H H 37 8.239 7.555 0.684 1
1 375 . 15 1 1 A 37 37 GLY CA C 37 45.371 45.384 -0.013 1
1 376 . 15 1 1 A 37 37 GLY HA3 H 37 3.945 4.118 -0.173 1
1 377 . 15 1 1 A 37 37 GLY C C 37 174.036 173.400 0.636 1
1 378 . 15 1 1 A 37 37 GLY HA2 H 37 4.006 4.117 -0.111 1
1 379 . 15 1 1 A 38 38 GLU N N 38 120.549 118.835 1.714 1
1 380 . 15 1 1 A 38 38 GLU H H 38 8.080 8.158 -0.078 1
1 381 . 15 1 1 A 38 38 GLU CA C 38 56.482 54.214 2.268 1
1 382 . 15 1 1 A 38 38 GLU HA H 38 4.228 4.844 -0.616 1
1 383 . 15 1 1 A 38 38 GLU CB C 38 30.588 33.728 -3.140 1
1 387 . 15 1 1 A 38 38 GLU C C 38 176.186 176.060 0.126 1
1 390 . 15 1 1 A 39 39 LYS N N 39 123.911 121.867 2.044 1
1 391 . 15 1 1 A 39 39 LYS H H 39 8.412 8.207 0.205 1
1 392 . 15 1 1 A 39 39 LYS CA C 39 54.143 55.601 -1.458 1
1 393 . 15 1 1 A 39 39 LYS HA H 39 4.596 4.252 0.344 1
1 394 . 15 1 1 A 39 39 LYS CB C 39 32.571 32.453 0.118 1
1 402 . 15 1 1 A 39 39 LYS C C 39 174.511 177.221 -2.710 1
1 407 . 15 1 1 A 40 40 PRO CA C 40 63.232 64.119 -0.887 1
1 408 . 15 1 1 A 40 40 PRO HA H 40 4.447 4.435 0.012 1
1 409 . 15 1 1 A 40 40 PRO CB C 40 32.194 31.683 0.511 1
1 1 . 16 1 1 A 7 7 GLY CA C 7 45.432 47.218 -1.786 1
1 2 . 16 1 1 A 7 7 GLY C C 7 174.065 174.956 -0.891 1
1 3 . 16 1 1 A 8 8 ALA N N 8 123.769 121.164 2.605 1
1 4 . 16 1 1 A 8 8 ALA H H 8 8.183 7.921 0.262 1
1 5 . 16 1 1 A 8 8 ALA CA C 8 52.778 53.290 -0.512 1
1 6 . 16 1 1 A 8 8 ALA HA H 8 4.313 4.050 0.263 1
1 7 . 16 1 1 A 8 8 ALA CB C 8 19.382 17.352 2.030 1
1 11 . 16 1 1 A 8 8 ALA C C 8 178.301 177.547 0.754 1
1 12 . 16 1 1 A 9 9 GLY N N 9 108.153 104.671 3.482 1
1 13 . 16 1 1 A 9 9 GLY H H 9 8.410 8.020 0.390 1
1 14 . 16 1 1 A 9 9 GLY CA C 9 45.309 46.735 -1.426 1
1 15 . 16 1 1 A 9 9 GLY HA3 H 9 3.926 3.731 0.195 1
1 16 . 16 1 1 A 9 9 GLY C C 9 174.030 175.788 -1.758 1
1 17 . 16 1 1 A 9 9 GLY HA2 H 9 3.926 3.730 0.196 1
1 18 . 16 1 1 A 10 10 LYS N N 10 120.547 118.896 1.651 1
1 19 . 16 1 1 A 10 10 LYS H H 10 8.067 8.002 0.065 1
1 20 . 16 1 1 A 10 10 LYS CA C 10 56.267 58.561 -2.294 1
1 21 . 16 1 1 A 10 10 LYS HA H 10 4.277 4.063 0.214 1
1 22 . 16 1 1 A 10 10 LYS CB C 10 33.167 32.249 0.918 1
1 30 . 16 1 1 A 10 10 LYS C C 10 176.363 176.624 -0.261 1
1 35 . 16 1 1 A 11 11 LYS N N 11 122.689 119.990 2.699 1
1 36 . 16 1 1 A 11 11 LYS H H 11 8.290 7.470 0.820 1
1 37 . 16 1 1 A 11 11 LYS CA C 11 56.098 56.729 -0.631 1
1 38 . 16 1 1 A 11 11 LYS HA H 11 4.180 4.051 0.129 1
1 39 . 16 1 1 A 11 11 LYS CB C 11 32.953 33.246 -0.293 1
1 46 . 16 1 1 A 11 11 LYS C C 11 175.249 176.237 -0.988 1
1 51 . 16 1 1 A 12 12 LEU N N 12 121.792 122.150 -0.358 1
1 52 . 16 1 1 A 12 12 LEU H H 12 7.790 8.613 -0.823 1
1 53 . 16 1 1 A 12 12 LEU CA C 12 54.202 54.565 -0.363 1
1 54 . 16 1 1 A 12 12 LEU HA H 12 4.419 4.442 -0.023 1
1 55 . 16 1 1 A 12 12 LEU CB C 12 44.011 43.521 0.490 1
1 67 . 16 1 1 A 12 12 LEU C C 12 176.086 176.683 -0.597 1
1 69 . 16 1 1 A 13 13 PHE N N 13 121.077 118.258 2.819 1
1 70 . 16 1 1 A 13 13 PHE H H 13 8.628 7.698 0.930 1
1 71 . 16 1 1 A 13 13 PHE CA C 13 57.309 56.119 1.190 1
1 72 . 16 1 1 A 13 13 PHE HA H 13 4.578 5.387 -0.809 1
1 73 . 16 1 1 A 13 13 PHE CB C 13 40.107 43.236 -3.129 1
1 85 . 16 1 1 A 13 13 PHE C C 13 174.502 173.919 0.583 1
1 87 . 16 1 1 A 14 14 LYS N N 14 124.720 121.824 2.896 1
1 88 . 16 1 1 A 14 14 LYS H H 14 8.757 8.988 -0.231 1
1 89 . 16 1 1 A 14 14 LYS CA C 14 55.088 54.844 0.244 1
1 90 . 16 1 1 A 14 14 LYS HA H 14 4.866 5.043 -0.177 1
1 91 . 16 1 1 A 14 14 LYS CB C 14 35.570 36.406 -0.836 1
1 99 . 16 1 1 A 14 14 LYS C C 14 174.832 174.632 0.200 1
1 104 . 16 1 1 A 15 15 CYS N N 15 127.003 125.500 1.503 1
1 105 . 16 1 1 A 15 15 CYS H H 15 8.884 8.614 0.270 1
1 106 . 16 1 1 A 15 15 CYS CA C 15 59.640 58.174 1.466 1
1 107 . 16 1 1 A 15 15 CYS HA H 15 4.497 4.774 -0.277 1
1 108 . 16 1 1 A 15 15 CYS CB C 15 29.562 28.860 0.702 1
1 110 . 16 1 1 A 15 15 CYS C C 15 176.310 175.741 0.569 1
1 112 . 16 1 1 A 16 16 ASN N N 16 128.404 126.248 2.156 1
1 113 . 16 1 1 A 16 16 ASN H H 16 9.250 9.005 0.245 1
1 114 . 16 1 1 A 16 16 ASN CA C 16 55.576 53.113 2.463 1
1 115 . 16 1 1 A 16 16 ASN HA H 16 4.554 4.932 -0.378 1
1 116 . 16 1 1 A 16 16 ASN CB C 16 38.591 37.871 0.720 1
1 121 . 16 1 1 A 16 16 ASN C C 16 175.713 175.608 0.105 1
1 123 . 16 1 1 A 17 17 GLU N N 17 120.824 118.072 2.752 1
1 124 . 16 1 1 A 17 17 GLU H H 17 8.813 8.025 0.788 1
1 125 . 16 1 1 A 17 17 GLU CA C 17 58.125 56.975 1.150 1
1 126 . 16 1 1 A 17 17 GLU HA H 17 4.242 4.424 -0.182 1
1 127 . 16 1 1 A 17 17 GLU CB C 17 29.807 32.200 -2.393 1
1 131 . 16 1 1 A 17 17 GLU C C 17 176.504 177.545 -1.041 1
1 134 . 16 1 1 A 18 18 CYS N N 18 116.605 114.801 1.804 1
1 135 . 16 1 1 A 18 18 CYS H H 18 7.948 7.898 0.050 1
1 136 . 16 1 1 A 18 18 CYS CA C 18 58.408 57.860 0.548 1
1 137 . 16 1 1 A 18 18 CYS HA H 18 5.061 4.604 0.457 1
1 138 . 16 1 1 A 18 18 CYS CB C 18 31.357 28.476 2.881 1
1 140 . 16 1 1 A 18 18 CYS C C 18 175.034 174.601 0.433 1
1 142 . 16 1 1 A 19 19 LYS N N 19 115.996 115.441 0.555 1
1 143 . 16 1 1 A 19 19 LYS H H 19 8.013 7.632 0.381 1
1 144 . 16 1 1 A 19 19 LYS CA C 19 57.801 57.349 0.452 1
1 145 . 16 1 1 A 19 19 LYS HA H 19 4.131 3.890 0.241 1
1 146 . 16 1 1 A 19 19 LYS CB C 19 29.728 29.645 0.083 1
1 153 . 16 1 1 A 19 19 LYS C C 19 175.710 174.554 1.156 1
1 158 . 16 1 1 A 20 20 LYS N N 20 122.163 118.664 3.499 1
1 159 . 16 1 1 A 20 20 LYS H H 20 8.056 7.796 0.260 1
1 160 . 16 1 1 A 20 20 LYS CA C 20 58.153 54.664 3.489 1
1 161 . 16 1 1 A 20 20 LYS HA H 20 4.068 4.879 -0.811 1
1 162 . 16 1 1 A 20 20 LYS CB C 20 33.850 35.693 -1.843 1
1 170 . 16 1 1 A 20 20 LYS C C 20 175.054 175.332 -0.278 1
1 175 . 16 1 1 A 21 21 THR N N 21 111.093 113.105 -2.012 1
1 176 . 16 1 1 A 21 21 THR H H 21 7.640 8.517 -0.877 1
1 177 . 16 1 1 A 21 21 THR CA C 21 59.789 59.690 0.099 1
1 178 . 16 1 1 A 21 21 THR HA H 21 5.059 5.430 -0.371 1
1 179 . 16 1 1 A 21 21 THR CB C 21 71.613 72.864 -1.251 1
1 185 . 16 1 1 A 21 21 THR C C 21 173.193 172.868 0.325 1
1 186 . 16 1 1 A 22 22 PHE N N 22 117.679 117.623 0.056 1
1 187 . 16 1 1 A 22 22 PHE H H 22 8.794 8.730 0.064 1
1 188 . 16 1 1 A 22 22 PHE CA C 22 56.872 56.745 0.127 1
1 189 . 16 1 1 A 22 22 PHE HA H 22 4.857 4.942 -0.085 1
1 190 . 16 1 1 A 22 22 PHE CB C 22 43.851 42.676 1.175 1
1 202 . 16 1 1 A 22 22 PHE C C 22 175.647 176.011 -0.364 1
1 204 . 16 1 1 A 23 23 THR N N 23 111.367 117.312 -5.945 1
1 205 . 16 1 1 A 23 23 THR H H 23 8.994 8.671 0.323 1
1 206 . 16 1 1 A 23 23 THR CA C 23 62.862 66.011 -3.149 1
1 207 . 16 1 1 A 23 23 THR HA H 23 4.704 3.972 0.732 1
1 208 . 16 1 1 A 23 23 THR CB C 23 69.427 68.749 0.678 1
1 214 . 16 1 1 A 23 23 THR C C 23 174.807 175.088 -0.281 1
1 215 . 16 1 1 A 24 24 GLN N N 24 116.885 119.689 -2.804 1
1 216 . 16 1 1 A 24 24 GLN H H 24 7.420 8.036 -0.616 1
1 217 . 16 1 1 A 24 24 GLN CA C 24 54.233 54.462 -0.229 1
1 218 . 16 1 1 A 24 24 GLN HA H 24 4.695 4.815 -0.120 1
1 219 . 16 1 1 A 24 24 GLN CB C 24 32.047 31.524 0.523 1
1 226 . 16 1 1 A 24 24 GLN C C 24 175.738 176.313 -0.575 1
1 229 . 16 1 1 A 25 25 SER CA C 25 60.953 61.707 -0.754 1
1 230 . 16 1 1 A 25 25 SER HA H 25 3.007 4.163 -1.156 1
1 231 . 16 1 1 A 25 25 SER CB C 25 61.858 62.336 -0.478 1
1 234 . 16 1 1 A 26 26 SER CA C 26 60.852 61.682 -0.830 1
1 235 . 16 1 1 A 26 26 SER HA H 26 4.030 4.096 -0.066 1
1 236 . 16 1 1 A 26 26 SER CB C 26 61.476 62.806 -1.330 1
1 238 . 16 1 1 A 26 26 SER C C 26 176.745 176.303 0.442 1
1 240 . 16 1 1 A 27 27 SER N N 27 116.833 116.160 0.673 1
1 241 . 16 1 1 A 27 27 SER H H 27 6.854 8.047 -1.193 1
1 242 . 16 1 1 A 27 27 SER CA C 27 60.741 61.301 -0.560 1
1 243 . 16 1 1 A 27 27 SER HA H 27 4.159 3.989 0.170 1
1 244 . 16 1 1 A 27 27 SER CB C 27 62.443 62.920 -0.477 1
1 246 . 16 1 1 A 27 27 SER C C 27 176.287 176.794 -0.507 1
1 248 . 16 1 1 A 28 28 LEU N N 28 123.878 122.677 1.201 1
1 249 . 16 1 1 A 28 28 LEU H H 28 6.955 7.929 -0.974 1
1 250 . 16 1 1 A 28 28 LEU CA C 28 57.843 58.046 -0.203 1
1 251 . 16 1 1 A 28 28 LEU HA H 28 3.164 3.883 -0.719 1
1 252 . 16 1 1 A 28 28 LEU CB C 28 40.011 41.805 -1.794 1
1 264 . 16 1 1 A 28 28 LEU C C 28 177.222 178.545 -1.323 1
1 266 . 16 1 1 A 29 29 THR N N 29 116.142 114.261 1.881 1
1 267 . 16 1 1 A 29 29 THR H H 29 8.071 7.807 0.264 1
1 268 . 16 1 1 A 29 29 THR CA C 29 66.739 66.659 0.080 1
1 269 . 16 1 1 A 29 29 THR HA H 29 3.894 3.863 0.031 1
1 270 . 16 1 1 A 29 29 THR CB C 29 68.480 68.450 0.030 1
1 276 . 16 1 1 A 29 29 THR C C 29 176.872 176.540 0.332 1
1 277 . 16 1 1 A 30 30 VAL N N 30 119.927 120.127 -0.200 1
1 278 . 16 1 1 A 30 30 VAL H H 30 7.466 7.932 -0.466 1
1 279 . 16 1 1 A 30 30 VAL CA C 30 66.507 64.407 2.100 1
1 280 . 16 1 1 A 30 30 VAL HA H 30 3.515 3.807 -0.292 1
1 281 . 16 1 1 A 30 30 VAL CB C 30 32.190 31.437 0.753 1
1 291 . 16 1 1 A 30 30 VAL C C 30 178.591 177.096 1.495 1
1 292 . 16 1 1 A 31 31 HIS N N 31 120.154 121.514 -1.360 1
1 293 . 16 1 1 A 31 31 HIS H H 31 7.526 7.763 -0.237 1
1 294 . 16 1 1 A 31 31 HIS CA C 31 59.359 58.349 1.010 1
1 295 . 16 1 1 A 31 31 HIS HA H 31 4.162 4.185 -0.023 1
1 296 . 16 1 1 A 31 31 HIS CB C 31 28.537 29.857 -1.320 1
1 302 . 16 1 1 A 31 31 HIS C C 31 176.216 176.944 -0.728 1
1 304 . 16 1 1 A 32 32 GLN N N 32 114.689 118.773 -4.084 1
1 305 . 16 1 1 A 32 32 GLN H H 32 8.372 8.405 -0.033 1
1 306 . 16 1 1 A 32 32 GLN CA C 32 59.351 58.630 0.721 1
1 307 . 16 1 1 A 32 32 GLN HA H 32 3.669 3.627 0.042 1
1 308 . 16 1 1 A 32 32 GLN CB C 32 28.390 28.616 -0.226 1
1 315 . 16 1 1 A 32 32 GLN C C 32 177.432 178.425 -0.993 1
1 318 . 16 1 1 A 33 33 ARG N N 33 117.675 117.667 0.008 1
1 319 . 16 1 1 A 33 33 ARG H H 33 7.199 7.767 -0.568 1
1 320 . 16 1 1 A 33 33 ARG CA C 33 58.529 58.504 0.025 1
1 321 . 16 1 1 A 33 33 ARG HA H 33 4.128 4.321 -0.193 1
1 322 . 16 1 1 A 33 33 ARG CB C 33 30.081 29.532 0.549 1
1 328 . 16 1 1 A 33 33 ARG C C 33 178.711 178.204 0.507 1
1 332 . 16 1 1 A 34 34 ILE N N 34 116.218 121.111 -4.893 1
1 333 . 16 1 1 A 34 34 ILE H H 34 7.863 7.359 0.504 1
1 334 . 16 1 1 A 34 34 ILE CA C 34 63.114 65.068 -1.954 1
1 335 . 16 1 1 A 34 34 ILE HA H 34 3.948 3.541 0.407 1
1 336 . 16 1 1 A 34 34 ILE CB C 34 37.777 37.328 0.449 1
1 348 . 16 1 1 A 34 34 ILE C C 34 177.391 178.059 -0.668 1
1 350 . 16 1 1 A 35 35 HIS N N 35 117.652 119.129 -1.477 1
1 351 . 16 1 1 A 35 35 HIS H H 35 7.196 7.638 -0.442 1
1 352 . 16 1 1 A 35 35 HIS CA C 35 55.169 60.105 -4.936 1
1 353 . 16 1 1 A 35 35 HIS HA H 35 4.838 4.226 0.612 1
1 354 . 16 1 1 A 35 35 HIS CB C 35 28.595 29.867 -1.272 1
1 360 . 16 1 1 A 35 35 HIS C C 35 175.849 178.460 -2.611 1
1 362 . 16 1 1 A 36 36 THR N N 36 111.767 113.900 -2.133 1
1 363 . 16 1 1 A 36 36 THR H H 36 7.785 8.220 -0.435 1
1 364 . 16 1 1 A 36 36 THR CA C 36 62.507 65.303 -2.796 1
1 365 . 16 1 1 A 36 36 THR HA H 36 4.335 4.025 0.310 1
1 366 . 16 1 1 A 36 36 THR CB C 36 69.809 67.959 1.850 1
1 372 . 16 1 1 A 36 36 THR C C 36 175.513 176.228 -0.715 1
1 373 . 16 1 1 A 37 37 GLY N N 37 110.668 109.013 1.655 1
1 374 . 16 1 1 A 37 37 GLY H H 37 8.239 8.126 0.113 1
1 375 . 16 1 1 A 37 37 GLY CA C 37 45.371 45.658 -0.287 1
1 376 . 16 1 1 A 37 37 GLY HA3 H 37 3.945 3.862 0.083 1
1 377 . 16 1 1 A 37 37 GLY C C 37 174.036 174.035 0.001 1
1 378 . 16 1 1 A 37 37 GLY HA2 H 37 4.006 3.852 0.154 1
1 379 . 16 1 1 A 38 38 GLU N N 38 120.549 119.208 1.341 1
1 380 . 16 1 1 A 38 38 GLU H H 38 8.080 7.570 0.510 1
1 381 . 16 1 1 A 38 38 GLU CA C 38 56.482 55.060 1.422 1
1 382 . 16 1 1 A 38 38 GLU HA H 38 4.228 4.579 -0.351 1
1 383 . 16 1 1 A 38 38 GLU CB C 38 30.588 31.625 -1.037 1
1 387 . 16 1 1 A 38 38 GLU C C 38 176.186 176.736 -0.550 1
1 390 . 16 1 1 A 39 39 LYS N N 39 123.911 122.735 1.176 1
1 391 . 16 1 1 A 39 39 LYS H H 39 8.412 8.969 -0.557 1
1 392 . 16 1 1 A 39 39 LYS CA C 39 54.143 56.895 -2.752 1
1 393 . 16 1 1 A 39 39 LYS HA H 39 4.596 3.961 0.635 1
1 394 . 16 1 1 A 39 39 LYS CB C 39 32.571 31.034 1.537 1
1 402 . 16 1 1 A 39 39 LYS C C 39 174.511 177.364 -2.853 1
1 407 . 16 1 1 A 40 40 PRO CA C 40 63.232 64.106 -0.874 1
1 408 . 16 1 1 A 40 40 PRO HA H 40 4.447 4.460 -0.013 1
1 409 . 16 1 1 A 40 40 PRO CB C 40 32.194 32.003 0.191 1
1 1 . 17 1 1 A 7 7 GLY CA C 7 45.432 46.735 -1.303 1
1 2 . 17 1 1 A 7 7 GLY C C 7 174.065 174.661 -0.596 1
1 3 . 17 1 1 A 8 8 ALA N N 8 123.769 122.560 1.209 1
1 4 . 17 1 1 A 8 8 ALA H H 8 8.183 7.873 0.310 1
1 5 . 17 1 1 A 8 8 ALA CA C 8 52.778 50.914 1.864 1
1 6 . 17 1 1 A 8 8 ALA HA H 8 4.313 4.506 -0.193 1
1 7 . 17 1 1 A 8 8 ALA CB C 8 19.382 18.365 1.017 1
1 11 . 17 1 1 A 8 8 ALA C C 8 178.301 177.580 0.721 1
1 12 . 17 1 1 A 9 9 GLY N N 9 108.153 111.834 -3.681 1
1 13 . 17 1 1 A 9 9 GLY H H 9 8.410 8.382 0.028 1
1 14 . 17 1 1 A 9 9 GLY CA C 9 45.309 45.748 -0.439 1
1 15 . 17 1 1 A 9 9 GLY HA3 H 9 3.926 4.074 -0.148 1
1 16 . 17 1 1 A 9 9 GLY C C 9 174.030 175.945 -1.915 1
1 17 . 17 1 1 A 9 9 GLY HA2 H 9 3.926 4.072 -0.146 1
1 18 . 17 1 1 A 10 10 LYS N N 10 120.547 118.075 2.472 1
1 19 . 17 1 1 A 10 10 LYS H H 10 8.067 7.876 0.191 1
1 20 . 17 1 1 A 10 10 LYS CA C 10 56.267 58.849 -2.582 1
1 21 . 17 1 1 A 10 10 LYS HA H 10 4.277 4.061 0.216 1
1 22 . 17 1 1 A 10 10 LYS CB C 10 33.167 32.381 0.786 1
1 30 . 17 1 1 A 10 10 LYS C C 10 176.363 176.511 -0.148 1
1 35 . 17 1 1 A 11 11 LYS N N 11 122.689 120.115 2.574 1
1 36 . 17 1 1 A 11 11 LYS H H 11 8.290 7.432 0.858 1
1 37 . 17 1 1 A 11 11 LYS CA C 11 56.098 57.011 -0.913 1
1 38 . 17 1 1 A 11 11 LYS HA H 11 4.180 4.024 0.156 1
1 39 . 17 1 1 A 11 11 LYS CB C 11 32.953 33.377 -0.424 1
1 46 . 17 1 1 A 11 11 LYS C C 11 175.249 176.197 -0.948 1
1 51 . 17 1 1 A 12 12 LEU N N 12 121.792 122.443 -0.651 1
1 52 . 17 1 1 A 12 12 LEU H H 12 7.790 8.668 -0.878 1
1 53 . 17 1 1 A 12 12 LEU CA C 12 54.202 54.514 -0.312 1
1 54 . 17 1 1 A 12 12 LEU HA H 12 4.419 4.399 0.020 1
1 55 . 17 1 1 A 12 12 LEU CB C 12 44.011 43.909 0.102 1
1 67 . 17 1 1 A 12 12 LEU C C 12 176.086 176.530 -0.444 1
1 69 . 17 1 1 A 13 13 PHE N N 13 121.077 118.217 2.860 1
1 70 . 17 1 1 A 13 13 PHE H H 13 8.628 7.687 0.941 1
1 71 . 17 1 1 A 13 13 PHE CA C 13 57.309 56.267 1.042 1
1 72 . 17 1 1 A 13 13 PHE HA H 13 4.578 5.356 -0.778 1
1 73 . 17 1 1 A 13 13 PHE CB C 13 40.107 43.346 -3.239 1
1 85 . 17 1 1 A 13 13 PHE C C 13 174.502 173.974 0.528 1
1 87 . 17 1 1 A 14 14 LYS N N 14 124.720 122.356 2.364 1
1 88 . 17 1 1 A 14 14 LYS H H 14 8.757 8.993 -0.236 1
1 89 . 17 1 1 A 14 14 LYS CA C 14 55.088 54.803 0.285 1
1 90 . 17 1 1 A 14 14 LYS HA H 14 4.866 5.046 -0.180 1
1 91 . 17 1 1 A 14 14 LYS CB C 14 35.570 36.422 -0.852 1
1 99 . 17 1 1 A 14 14 LYS C C 14 174.832 174.734 0.098 1
1 104 . 17 1 1 A 15 15 CYS N N 15 127.003 125.693 1.310 1
1 105 . 17 1 1 A 15 15 CYS H H 15 8.884 8.782 0.102 1
1 106 . 17 1 1 A 15 15 CYS CA C 15 59.640 58.218 1.422 1
1 107 . 17 1 1 A 15 15 CYS HA H 15 4.497 4.768 -0.271 1
1 108 . 17 1 1 A 15 15 CYS CB C 15 29.562 28.422 1.140 1
1 110 . 17 1 1 A 15 15 CYS C C 15 176.310 175.895 0.415 1
1 112 . 17 1 1 A 16 16 ASN N N 16 128.404 126.355 2.049 1
1 113 . 17 1 1 A 16 16 ASN H H 16 9.250 8.854 0.396 1
1 114 . 17 1 1 A 16 16 ASN CA C 16 55.576 53.223 2.353 1
1 115 . 17 1 1 A 16 16 ASN HA H 16 4.554 4.857 -0.303 1
1 116 . 17 1 1 A 16 16 ASN CB C 16 38.591 38.501 0.090 1
1 121 . 17 1 1 A 16 16 ASN C C 16 175.713 175.644 0.069 1
1 123 . 17 1 1 A 17 17 GLU N N 17 120.824 117.701 3.123 1
1 124 . 17 1 1 A 17 17 GLU H H 17 8.813 7.993 0.820 1
1 125 . 17 1 1 A 17 17 GLU CA C 17 58.125 57.017 1.108 1
1 126 . 17 1 1 A 17 17 GLU HA H 17 4.242 4.426 -0.184 1
1 127 . 17 1 1 A 17 17 GLU CB C 17 29.807 32.027 -2.220 1
1 131 . 17 1 1 A 17 17 GLU C C 17 176.504 177.603 -1.099 1
1 134 . 17 1 1 A 18 18 CYS N N 18 116.605 114.288 2.317 1
1 135 . 17 1 1 A 18 18 CYS H H 18 7.948 7.935 0.013 1
1 136 . 17 1 1 A 18 18 CYS CA C 18 58.408 57.855 0.553 1
1 137 . 17 1 1 A 18 18 CYS HA H 18 5.061 4.622 0.439 1
1 138 . 17 1 1 A 18 18 CYS CB C 18 31.357 28.084 3.273 1
1 140 . 17 1 1 A 18 18 CYS C C 18 175.034 174.627 0.407 1
1 142 . 17 1 1 A 19 19 LYS N N 19 115.996 115.695 0.301 1
1 143 . 17 1 1 A 19 19 LYS H H 19 8.013 7.710 0.303 1
1 144 . 17 1 1 A 19 19 LYS CA C 19 57.801 57.328 0.473 1
1 145 . 17 1 1 A 19 19 LYS HA H 19 4.131 3.943 0.188 1
1 146 . 17 1 1 A 19 19 LYS CB C 19 29.728 29.540 0.188 1
1 153 . 17 1 1 A 19 19 LYS C C 19 175.710 174.531 1.179 1
1 158 . 17 1 1 A 20 20 LYS N N 20 122.163 118.867 3.296 1
1 159 . 17 1 1 A 20 20 LYS H H 20 8.056 7.756 0.300 1
1 160 . 17 1 1 A 20 20 LYS CA C 20 58.153 55.222 2.931 1
1 161 . 17 1 1 A 20 20 LYS HA H 20 4.068 4.682 -0.614 1
1 162 . 17 1 1 A 20 20 LYS CB C 20 33.850 34.799 -0.949 1
1 170 . 17 1 1 A 20 20 LYS C C 20 175.054 175.593 -0.539 1
1 175 . 17 1 1 A 21 21 THR N N 21 111.093 114.227 -3.134 1
1 176 . 17 1 1 A 21 21 THR H H 21 7.640 8.564 -0.924 1
1 177 . 17 1 1 A 21 21 THR CA C 21 59.789 58.946 0.843 1
1 178 . 17 1 1 A 21 21 THR HA H 21 5.059 5.291 -0.232 1
1 179 . 17 1 1 A 21 21 THR CB C 21 71.613 72.428 -0.815 1
1 185 . 17 1 1 A 21 21 THR C C 21 173.193 173.163 0.030 1
1 186 . 17 1 1 A 22 22 PHE N N 22 117.679 118.362 -0.683 1
1 187 . 17 1 1 A 22 22 PHE H H 22 8.794 8.850 -0.056 1
1 188 . 17 1 1 A 22 22 PHE CA C 22 56.872 56.794 0.078 1
1 189 . 17 1 1 A 22 22 PHE HA H 22 4.857 4.944 -0.087 1
1 190 . 17 1 1 A 22 22 PHE CB C 22 43.851 42.693 1.158 1
1 202 . 17 1 1 A 22 22 PHE C C 22 175.647 175.910 -0.263 1
1 204 . 17 1 1 A 23 23 THR N N 23 111.367 119.035 -7.668 1
1 205 . 17 1 1 A 23 23 THR H H 23 8.994 8.759 0.235 1
1 206 . 17 1 1 A 23 23 THR CA C 23 62.862 65.316 -2.454 1
1 207 . 17 1 1 A 23 23 THR HA H 23 4.704 4.162 0.542 1
1 208 . 17 1 1 A 23 23 THR CB C 23 69.427 69.111 0.316 1
1 214 . 17 1 1 A 23 23 THR C C 23 174.807 173.754 1.053 1
1 215 . 17 1 1 A 24 24 GLN N N 24 116.885 118.399 -1.514 1
1 216 . 17 1 1 A 24 24 GLN H H 24 7.420 8.062 -0.642 1
1 217 . 17 1 1 A 24 24 GLN CA C 24 54.233 54.372 -0.139 1
1 218 . 17 1 1 A 24 24 GLN HA H 24 4.695 4.902 -0.207 1
1 219 . 17 1 1 A 24 24 GLN CB C 24 32.047 31.512 0.535 1
1 226 . 17 1 1 A 24 24 GLN C C 24 175.738 176.104 -0.366 1
1 229 . 17 1 1 A 25 25 SER CA C 25 60.953 61.408 -0.455 1
1 230 . 17 1 1 A 25 25 SER HA H 25 3.007 3.534 -0.527 1
1 231 . 17 1 1 A 25 25 SER CB C 25 61.858 62.015 -0.157 1
1 234 . 17 1 1 A 26 26 SER CA C 26 60.852 61.405 -0.553 1
1 235 . 17 1 1 A 26 26 SER HA H 26 4.030 4.196 -0.166 1
1 236 . 17 1 1 A 26 26 SER CB C 26 61.476 62.385 -0.909 1
1 238 . 17 1 1 A 26 26 SER C C 26 176.745 176.971 -0.226 1
1 240 . 17 1 1 A 27 27 SER N N 27 116.833 116.312 0.521 1
1 241 . 17 1 1 A 27 27 SER H H 27 6.854 7.936 -1.082 1
1 242 . 17 1 1 A 27 27 SER CA C 27 60.741 62.155 -1.414 1
1 243 . 17 1 1 A 27 27 SER HA H 27 4.159 3.933 0.226 1
1 244 . 17 1 1 A 27 27 SER CB C 27 62.443 62.890 -0.447 1
1 246 . 17 1 1 A 27 27 SER C C 27 176.287 175.772 0.515 1
1 248 . 17 1 1 A 28 28 LEU N N 28 123.878 122.368 1.510 1
1 249 . 17 1 1 A 28 28 LEU H H 28 6.955 7.632 -0.677 1
1 250 . 17 1 1 A 28 28 LEU CA C 28 57.843 57.913 -0.070 1
1 251 . 17 1 1 A 28 28 LEU HA H 28 3.164 3.754 -0.590 1
1 252 . 17 1 1 A 28 28 LEU CB C 28 40.011 41.961 -1.950 1
1 264 . 17 1 1 A 28 28 LEU C C 28 177.222 178.502 -1.280 1
1 266 . 17 1 1 A 29 29 THR N N 29 116.142 114.290 1.852 1
1 267 . 17 1 1 A 29 29 THR H H 29 8.071 8.022 0.049 1
1 268 . 17 1 1 A 29 29 THR CA C 29 66.739 66.529 0.210 1
1 269 . 17 1 1 A 29 29 THR HA H 29 3.894 3.796 0.098 1
1 270 . 17 1 1 A 29 29 THR CB C 29 68.480 68.341 0.139 1
1 276 . 17 1 1 A 29 29 THR C C 29 176.872 176.388 0.484 1
1 277 . 17 1 1 A 30 30 VAL N N 30 119.927 120.080 -0.153 1
1 278 . 17 1 1 A 30 30 VAL H H 30 7.466 8.010 -0.544 1
1 279 . 17 1 1 A 30 30 VAL CA C 30 66.507 64.495 2.012 1
1 280 . 17 1 1 A 30 30 VAL HA H 30 3.515 3.778 -0.263 1
1 281 . 17 1 1 A 30 30 VAL CB C 30 32.190 31.294 0.896 1
1 291 . 17 1 1 A 30 30 VAL C C 30 178.591 177.159 1.432 1
1 292 . 17 1 1 A 31 31 HIS N N 31 120.154 121.235 -1.081 1
1 293 . 17 1 1 A 31 31 HIS H H 31 7.526 7.780 -0.254 1
1 294 . 17 1 1 A 31 31 HIS CA C 31 59.359 58.762 0.597 1
1 295 . 17 1 1 A 31 31 HIS HA H 31 4.162 4.178 -0.016 1
1 296 . 17 1 1 A 31 31 HIS CB C 31 28.537 29.615 -1.078 1
1 302 . 17 1 1 A 31 31 HIS C C 31 176.216 176.967 -0.751 1
1 304 . 17 1 1 A 32 32 GLN N N 32 114.689 118.674 -3.985 1
1 305 . 17 1 1 A 32 32 GLN H H 32 8.372 8.604 -0.232 1
1 306 . 17 1 1 A 32 32 GLN CA C 32 59.351 58.547 0.804 1
1 307 . 17 1 1 A 32 32 GLN HA H 32 3.669 3.627 0.042 1
1 308 . 17 1 1 A 32 32 GLN CB C 32 28.390 28.506 -0.116 1
1 315 . 17 1 1 A 32 32 GLN C C 32 177.432 178.495 -1.063 1
1 318 . 17 1 1 A 33 33 ARG N N 33 117.675 117.356 0.319 1
1 319 . 17 1 1 A 33 33 ARG H H 33 7.199 7.758 -0.559 1
1 320 . 17 1 1 A 33 33 ARG CA C 33 58.529 58.499 0.030 1
1 321 . 17 1 1 A 33 33 ARG HA H 33 4.128 4.290 -0.162 1
1 322 . 17 1 1 A 33 33 ARG CB C 33 30.081 29.515 0.566 1
1 328 . 17 1 1 A 33 33 ARG C C 33 178.711 178.148 0.563 1
1 332 . 17 1 1 A 34 34 ILE N N 34 116.218 121.098 -4.880 1
1 333 . 17 1 1 A 34 34 ILE H H 34 7.863 7.465 0.398 1
1 334 . 17 1 1 A 34 34 ILE CA C 34 63.114 64.776 -1.662 1
1 335 . 17 1 1 A 34 34 ILE HA H 34 3.948 3.564 0.384 1
1 336 . 17 1 1 A 34 34 ILE CB C 34 37.777 37.527 0.250 1
1 348 . 17 1 1 A 34 34 ILE C C 34 177.391 177.849 -0.458 1
1 350 . 17 1 1 A 35 35 HIS N N 35 117.652 119.049 -1.397 1
1 351 . 17 1 1 A 35 35 HIS H H 35 7.196 7.588 -0.392 1
1 352 . 17 1 1 A 35 35 HIS CA C 35 55.169 60.085 -4.916 1
1 353 . 17 1 1 A 35 35 HIS HA H 35 4.838 4.250 0.588 1
1 354 . 17 1 1 A 35 35 HIS CB C 35 28.595 30.216 -1.621 1
1 360 . 17 1 1 A 35 35 HIS C C 35 175.849 178.541 -2.692 1
1 362 . 17 1 1 A 36 36 THR N N 36 111.767 113.653 -1.886 1
1 363 . 17 1 1 A 36 36 THR H H 36 7.785 8.291 -0.506 1
1 364 . 17 1 1 A 36 36 THR CA C 36 62.507 65.382 -2.875 1
1 365 . 17 1 1 A 36 36 THR HA H 36 4.335 3.993 0.342 1
1 366 . 17 1 1 A 36 36 THR CB C 36 69.809 67.946 1.863 1
1 372 . 17 1 1 A 36 36 THR C C 36 175.513 177.298 -1.785 1
1 373 . 17 1 1 A 37 37 GLY N N 37 110.668 110.149 0.519 1
1 374 . 17 1 1 A 37 37 GLY H H 37 8.239 8.192 0.047 1
1 375 . 17 1 1 A 37 37 GLY CA C 37 45.371 47.399 -2.028 1
1 376 . 17 1 1 A 37 37 GLY HA3 H 37 3.945 3.823 0.122 1
1 377 . 17 1 1 A 37 37 GLY C C 37 174.036 175.184 -1.148 1
1 378 . 17 1 1 A 37 37 GLY HA2 H 37 4.006 3.812 0.194 1
1 379 . 17 1 1 A 38 38 GLU N N 38 120.549 119.149 1.400 1
1 380 . 17 1 1 A 38 38 GLU H H 38 8.080 7.695 0.385 1
1 381 . 17 1 1 A 38 38 GLU CA C 38 56.482 57.176 -0.694 1
1 382 . 17 1 1 A 38 38 GLU HA H 38 4.228 4.309 -0.081 1
1 383 . 17 1 1 A 38 38 GLU CB C 38 30.588 29.879 0.709 1
1 387 . 17 1 1 A 38 38 GLU C C 38 176.186 176.485 -0.299 1
1 390 . 17 1 1 A 39 39 LYS N N 39 123.911 122.456 1.455 1
1 391 . 17 1 1 A 39 39 LYS H H 39 8.412 8.392 0.020 1
1 392 . 17 1 1 A 39 39 LYS CA C 39 54.143 55.371 -1.228 1
1 393 . 17 1 1 A 39 39 LYS HA H 39 4.596 4.249 0.347 1
1 394 . 17 1 1 A 39 39 LYS CB C 39 32.571 32.480 0.091 1
1 402 . 17 1 1 A 39 39 LYS C C 39 174.511 175.894 -1.383 1
1 407 . 17 1 1 A 40 40 PRO CA C 40 63.232 62.610 0.622 1
1 408 . 17 1 1 A 40 40 PRO HA H 40 4.447 4.558 -0.111 1
1 409 . 17 1 1 A 40 40 PRO CB C 40 32.194 32.510 -0.316 1
1 1 . 18 1 1 A 7 7 GLY CA C 7 45.432 47.497 -2.065 1
1 2 . 18 1 1 A 7 7 GLY C C 7 174.065 174.020 0.045 1
1 3 . 18 1 1 A 8 8 ALA N N 8 123.769 120.194 3.575 1
1 4 . 18 1 1 A 8 8 ALA H H 8 8.183 7.835 0.348 1
1 5 . 18 1 1 A 8 8 ALA CA C 8 52.778 51.164 1.614 1
1 6 . 18 1 1 A 8 8 ALA HA H 8 4.313 4.829 -0.516 1
1 7 . 18 1 1 A 8 8 ALA CB C 8 19.382 23.061 -3.679 1
1 11 . 18 1 1 A 8 8 ALA C C 8 178.301 176.458 1.843 1
1 12 . 18 1 1 A 9 9 GLY N N 9 108.153 108.085 0.068 1
1 13 . 18 1 1 A 9 9 GLY H H 9 8.410 8.333 0.077 1
1 14 . 18 1 1 A 9 9 GLY CA C 9 45.309 46.102 -0.793 1
1 15 . 18 1 1 A 9 9 GLY HA3 H 9 3.926 4.092 -0.166 1
1 16 . 18 1 1 A 9 9 GLY C C 9 174.030 175.159 -1.129 1
1 17 . 18 1 1 A 9 9 GLY HA2 H 9 3.926 4.092 -0.166 1
1 18 . 18 1 1 A 10 10 LYS N N 10 120.547 121.394 -0.847 1
1 19 . 18 1 1 A 10 10 LYS H H 10 8.067 8.111 -0.044 1
1 20 . 18 1 1 A 10 10 LYS CA C 10 56.267 57.135 -0.868 1
1 21 . 18 1 1 A 10 10 LYS HA H 10 4.277 4.012 0.265 1
1 22 . 18 1 1 A 10 10 LYS CB C 10 33.167 30.233 2.934 1
1 30 . 18 1 1 A 10 10 LYS C C 10 176.363 176.114 0.249 1
1 35 . 18 1 1 A 11 11 LYS N N 11 122.689 122.225 0.464 1
1 36 . 18 1 1 A 11 11 LYS H H 11 8.290 7.680 0.610 1
1 37 . 18 1 1 A 11 11 LYS CA C 11 56.098 55.736 0.362 1
1 38 . 18 1 1 A 11 11 LYS HA H 11 4.180 4.645 -0.465 1
1 39 . 18 1 1 A 11 11 LYS CB C 11 32.953 34.143 -1.190 1
1 46 . 18 1 1 A 11 11 LYS C C 11 175.249 176.125 -0.876 1
1 51 . 18 1 1 A 12 12 LEU N N 12 121.792 122.908 -1.116 1
1 52 . 18 1 1 A 12 12 LEU H H 12 7.790 8.899 -1.109 1
1 53 . 18 1 1 A 12 12 LEU CA C 12 54.202 54.967 -0.765 1
1 54 . 18 1 1 A 12 12 LEU HA H 12 4.419 4.629 -0.210 1
1 55 . 18 1 1 A 12 12 LEU CB C 12 44.011 44.594 -0.583 1
1 67 . 18 1 1 A 12 12 LEU C C 12 176.086 176.626 -0.540 1
1 69 . 18 1 1 A 13 13 PHE N N 13 121.077 118.060 3.017 1
1 70 . 18 1 1 A 13 13 PHE H H 13 8.628 8.010 0.618 1
1 71 . 18 1 1 A 13 13 PHE CA C 13 57.309 56.395 0.914 1
1 72 . 18 1 1 A 13 13 PHE HA H 13 4.578 5.306 -0.728 1
1 73 . 18 1 1 A 13 13 PHE CB C 13 40.107 42.842 -2.735 1
1 85 . 18 1 1 A 13 13 PHE C C 13 174.502 174.978 -0.476 1
1 87 . 18 1 1 A 14 14 LYS N N 14 124.720 119.787 4.933 1
1 88 . 18 1 1 A 14 14 LYS H H 14 8.757 9.060 -0.303 1
1 89 . 18 1 1 A 14 14 LYS CA C 14 55.088 54.563 0.525 1
1 90 . 18 1 1 A 14 14 LYS HA H 14 4.866 5.112 -0.246 1
1 91 . 18 1 1 A 14 14 LYS CB C 14 35.570 36.166 -0.596 1
1 99 . 18 1 1 A 14 14 LYS C C 14 174.832 174.922 -0.090 1
1 104 . 18 1 1 A 15 15 CYS N N 15 127.003 122.362 4.641 1
1 105 . 18 1 1 A 15 15 CYS H H 15 8.884 8.961 -0.077 1
1 106 . 18 1 1 A 15 15 CYS CA C 15 59.640 59.567 0.073 1
1 107 . 18 1 1 A 15 15 CYS HA H 15 4.497 4.564 -0.067 1
1 108 . 18 1 1 A 15 15 CYS CB C 15 29.562 28.398 1.164 1
1 110 . 18 1 1 A 15 15 CYS C C 15 176.310 176.231 0.079 1
1 112 . 18 1 1 A 16 16 ASN N N 16 128.404 127.113 1.291 1
1 113 . 18 1 1 A 16 16 ASN H H 16 9.250 9.403 -0.153 1
1 114 . 18 1 1 A 16 16 ASN CA C 16 55.576 53.711 1.865 1
1 115 . 18 1 1 A 16 16 ASN HA H 16 4.554 4.938 -0.384 1
1 116 . 18 1 1 A 16 16 ASN CB C 16 38.591 38.261 0.330 1
1 121 . 18 1 1 A 16 16 ASN C C 16 175.713 176.271 -0.558 1
1 123 . 18 1 1 A 17 17 GLU N N 17 120.824 118.051 2.773 1
1 124 . 18 1 1 A 17 17 GLU H H 17 8.813 7.885 0.928 1
1 125 . 18 1 1 A 17 17 GLU CA C 17 58.125 56.860 1.265 1
1 126 . 18 1 1 A 17 17 GLU HA H 17 4.242 4.407 -0.165 1
1 127 . 18 1 1 A 17 17 GLU CB C 17 29.807 31.654 -1.847 1
1 131 . 18 1 1 A 17 17 GLU C C 17 176.504 177.589 -1.085 1
1 134 . 18 1 1 A 18 18 CYS N N 18 116.605 114.602 2.003 1
1 135 . 18 1 1 A 18 18 CYS H H 18 7.948 7.889 0.059 1
1 136 . 18 1 1 A 18 18 CYS CA C 18 58.408 57.807 0.601 1
1 137 . 18 1 1 A 18 18 CYS HA H 18 5.061 4.638 0.423 1
1 138 . 18 1 1 A 18 18 CYS CB C 18 31.357 28.355 3.002 1
1 140 . 18 1 1 A 18 18 CYS C C 18 175.034 174.604 0.430 1
1 142 . 18 1 1 A 19 19 LYS N N 19 115.996 115.584 0.412 1
1 143 . 18 1 1 A 19 19 LYS H H 19 8.013 7.955 0.058 1
1 144 . 18 1 1 A 19 19 LYS CA C 19 57.801 57.283 0.518 1
1 145 . 18 1 1 A 19 19 LYS HA H 19 4.131 4.258 -0.127 1
1 146 . 18 1 1 A 19 19 LYS CB C 19 29.728 30.435 -0.707 1
1 153 . 18 1 1 A 19 19 LYS C C 19 175.710 174.878 0.832 1
1 158 . 18 1 1 A 20 20 LYS N N 20 122.163 118.691 3.472 1
1 159 . 18 1 1 A 20 20 LYS H H 20 8.056 7.868 0.188 1
1 160 . 18 1 1 A 20 20 LYS CA C 20 58.153 54.532 3.621 1
1 161 . 18 1 1 A 20 20 LYS HA H 20 4.068 4.898 -0.830 1
1 162 . 18 1 1 A 20 20 LYS CB C 20 33.850 35.746 -1.896 1
1 170 . 18 1 1 A 20 20 LYS C C 20 175.054 174.726 0.328 1
1 175 . 18 1 1 A 21 21 THR N N 21 111.093 118.197 -7.104 1
1 176 . 18 1 1 A 21 21 THR H H 21 7.640 8.746 -1.106 1
1 177 . 18 1 1 A 21 21 THR CA C 21 59.789 59.460 0.329 1
1 178 . 18 1 1 A 21 21 THR HA H 21 5.059 5.352 -0.293 1
1 179 . 18 1 1 A 21 21 THR CB C 21 71.613 72.526 -0.913 1
1 185 . 18 1 1 A 21 21 THR C C 21 173.193 172.137 1.056 1
1 186 . 18 1 1 A 22 22 PHE N N 22 117.679 121.591 -3.912 1
1 187 . 18 1 1 A 22 22 PHE H H 22 8.794 8.759 0.035 1
1 188 . 18 1 1 A 22 22 PHE CA C 22 56.872 56.612 0.260 1
1 189 . 18 1 1 A 22 22 PHE HA H 22 4.857 4.848 0.009 1
1 190 . 18 1 1 A 22 22 PHE CB C 22 43.851 42.248 1.603 1
1 202 . 18 1 1 A 22 22 PHE C C 22 175.647 176.040 -0.393 1
1 204 . 18 1 1 A 23 23 THR N N 23 111.367 117.810 -6.443 1
1 205 . 18 1 1 A 23 23 THR H H 23 8.994 8.603 0.391 1
1 206 . 18 1 1 A 23 23 THR CA C 23 62.862 66.171 -3.309 1
1 207 . 18 1 1 A 23 23 THR HA H 23 4.704 3.919 0.785 1
1 208 . 18 1 1 A 23 23 THR CB C 23 69.427 68.888 0.539 1
1 214 . 18 1 1 A 23 23 THR C C 23 174.807 175.078 -0.271 1
1 215 . 18 1 1 A 24 24 GLN N N 24 116.885 119.473 -2.588 1
1 216 . 18 1 1 A 24 24 GLN H H 24 7.420 7.961 -0.541 1
1 217 . 18 1 1 A 24 24 GLN CA C 24 54.233 54.269 -0.036 1
1 218 . 18 1 1 A 24 24 GLN HA H 24 4.695 4.624 0.071 1
1 219 . 18 1 1 A 24 24 GLN CB C 24 32.047 31.367 0.680 1
1 226 . 18 1 1 A 24 24 GLN C C 24 175.738 176.143 -0.405 1
1 229 . 18 1 1 A 25 25 SER CA C 25 60.953 61.844 -0.891 1
1 230 . 18 1 1 A 25 25 SER HA H 25 3.007 3.573 -0.566 1
1 231 . 18 1 1 A 25 25 SER CB C 25 61.858 62.389 -0.531 1
1 234 . 18 1 1 A 26 26 SER CA C 26 60.852 61.410 -0.558 1
1 235 . 18 1 1 A 26 26 SER HA H 26 4.030 4.230 -0.200 1
1 236 . 18 1 1 A 26 26 SER CB C 26 61.476 62.424 -0.948 1
1 238 . 18 1 1 A 26 26 SER C C 26 176.745 177.188 -0.443 1
1 240 . 18 1 1 A 27 27 SER N N 27 116.833 116.578 0.255 1
1 241 . 18 1 1 A 27 27 SER H H 27 6.854 7.897 -1.043 1
1 242 . 18 1 1 A 27 27 SER CA C 27 60.741 62.251 -1.510 1
1 243 . 18 1 1 A 27 27 SER HA H 27 4.159 3.981 0.178 1
1 244 . 18 1 1 A 27 27 SER CB C 27 62.443 63.061 -0.618 1
1 246 . 18 1 1 A 27 27 SER C C 27 176.287 175.559 0.728 1
1 248 . 18 1 1 A 28 28 LEU N N 28 123.878 122.566 1.312 1
1 249 . 18 1 1 A 28 28 LEU H H 28 6.955 7.534 -0.579 1
1 250 . 18 1 1 A 28 28 LEU CA C 28 57.843 57.574 0.269 1
1 251 . 18 1 1 A 28 28 LEU HA H 28 3.164 3.020 0.144 1
1 252 . 18 1 1 A 28 28 LEU CB C 28 40.011 41.633 -1.622 1
1 264 . 18 1 1 A 28 28 LEU C C 28 177.222 178.457 -1.235 1
1 266 . 18 1 1 A 29 29 THR N N 29 116.142 114.427 1.715 1
1 267 . 18 1 1 A 29 29 THR H H 29 8.071 7.722 0.349 1
1 268 . 18 1 1 A 29 29 THR CA C 29 66.739 66.706 0.033 1
1 269 . 18 1 1 A 29 29 THR HA H 29 3.894 3.881 0.013 1
1 270 . 18 1 1 A 29 29 THR CB C 29 68.480 68.523 -0.043 1
1 276 . 18 1 1 A 29 29 THR C C 29 176.872 176.218 0.654 1
1 277 . 18 1 1 A 30 30 VAL N N 30 119.927 120.277 -0.350 1
1 278 . 18 1 1 A 30 30 VAL H H 30 7.466 7.842 -0.376 1
1 279 . 18 1 1 A 30 30 VAL CA C 30 66.507 65.092 1.415 1
1 280 . 18 1 1 A 30 30 VAL HA H 30 3.515 3.693 -0.178 1
1 281 . 18 1 1 A 30 30 VAL CB C 30 32.190 31.019 1.171 1
1 291 . 18 1 1 A 30 30 VAL C C 30 178.591 177.853 0.738 1
1 292 . 18 1 1 A 31 31 HIS N N 31 120.154 120.844 -0.690 1
1 293 . 18 1 1 A 31 31 HIS H H 31 7.526 7.819 -0.293 1
1 294 . 18 1 1 A 31 31 HIS CA C 31 59.359 59.586 -0.227 1
1 295 . 18 1 1 A 31 31 HIS HA H 31 4.162 4.007 0.155 1
1 296 . 18 1 1 A 31 31 HIS CB C 31 28.537 29.360 -0.823 1
1 302 . 18 1 1 A 31 31 HIS C C 31 176.216 176.978 -0.762 1
1 304 . 18 1 1 A 32 32 GLN N N 32 114.689 118.401 -3.712 1
1 305 . 18 1 1 A 32 32 GLN H H 32 8.372 8.284 0.088 1
1 306 . 18 1 1 A 32 32 GLN CA C 32 59.351 58.646 0.705 1
1 307 . 18 1 1 A 32 32 GLN HA H 32 3.669 3.844 -0.175 1
1 308 . 18 1 1 A 32 32 GLN CB C 32 28.390 28.483 -0.093 1
1 315 . 18 1 1 A 32 32 GLN C C 32 177.432 178.102 -0.670 1
1 318 . 18 1 1 A 33 33 ARG N N 33 117.675 118.200 -0.525 1
1 319 . 18 1 1 A 33 33 ARG H H 33 7.199 7.505 -0.306 1
1 320 . 18 1 1 A 33 33 ARG CA C 33 58.529 58.673 -0.144 1
1 321 . 18 1 1 A 33 33 ARG HA H 33 4.128 4.303 -0.175 1
1 322 . 18 1 1 A 33 33 ARG CB C 33 30.081 29.741 0.340 1
1 328 . 18 1 1 A 33 33 ARG C C 33 178.711 178.685 0.026 1
1 332 . 18 1 1 A 34 34 ILE N N 34 116.218 120.329 -4.111 1
1 333 . 18 1 1 A 34 34 ILE H H 34 7.863 7.483 0.380 1
1 334 . 18 1 1 A 34 34 ILE CA C 34 63.114 64.914 -1.800 1
1 335 . 18 1 1 A 34 34 ILE HA H 34 3.948 3.490 0.458 1
1 336 . 18 1 1 A 34 34 ILE CB C 34 37.777 37.483 0.294 1
1 348 . 18 1 1 A 34 34 ILE C C 34 177.391 177.765 -0.374 1
1 350 . 18 1 1 A 35 35 HIS N N 35 117.652 118.918 -1.266 1
1 351 . 18 1 1 A 35 35 HIS H H 35 7.196 7.450 -0.254 1
1 352 . 18 1 1 A 35 35 HIS CA C 35 55.169 59.977 -4.808 1
1 353 . 18 1 1 A 35 35 HIS HA H 35 4.838 4.222 0.616 1
1 354 . 18 1 1 A 35 35 HIS CB C 35 28.595 30.753 -2.158 1
1 360 . 18 1 1 A 35 35 HIS C C 35 175.849 178.529 -2.680 1
1 362 . 18 1 1 A 36 36 THR N N 36 111.767 114.053 -2.286 1
1 363 . 18 1 1 A 36 36 THR H H 36 7.785 8.285 -0.500 1
1 364 . 18 1 1 A 36 36 THR CA C 36 62.507 65.211 -2.704 1
1 365 . 18 1 1 A 36 36 THR HA H 36 4.335 4.048 0.287 1
1 366 . 18 1 1 A 36 36 THR CB C 36 69.809 68.389 1.420 1
1 372 . 18 1 1 A 36 36 THR C C 36 175.513 175.956 -0.443 1
1 373 . 18 1 1 A 37 37 GLY N N 37 110.668 108.391 2.277 1
1 374 . 18 1 1 A 37 37 GLY H H 37 8.239 7.788 0.451 1
1 375 . 18 1 1 A 37 37 GLY CA C 37 45.371 45.544 -0.173 1
1 376 . 18 1 1 A 37 37 GLY HA3 H 37 3.945 3.897 0.048 1
1 377 . 18 1 1 A 37 37 GLY C C 37 174.036 173.248 0.788 1
1 378 . 18 1 1 A 37 37 GLY HA2 H 37 4.006 3.884 0.122 1
1 379 . 18 1 1 A 38 38 GLU N N 38 120.549 117.959 2.590 1
1 380 . 18 1 1 A 38 38 GLU H H 38 8.080 7.275 0.805 1
1 381 . 18 1 1 A 38 38 GLU CA C 38 56.482 54.504 1.978 1
1 382 . 18 1 1 A 38 38 GLU HA H 38 4.228 4.965 -0.737 1
1 383 . 18 1 1 A 38 38 GLU CB C 38 30.588 34.265 -3.677 1
1 387 . 18 1 1 A 38 38 GLU C C 38 176.186 174.924 1.262 1
1 390 . 18 1 1 A 39 39 LYS N N 39 123.911 118.384 5.527 1
1 391 . 18 1 1 A 39 39 LYS H H 39 8.412 8.839 -0.427 1
1 392 . 18 1 1 A 39 39 LYS CA C 39 54.143 53.300 0.843 1
1 393 . 18 1 1 A 39 39 LYS HA H 39 4.596 5.008 -0.412 1
1 394 . 18 1 1 A 39 39 LYS CB C 39 32.571 35.247 -2.676 1
1 402 . 18 1 1 A 39 39 LYS C C 39 174.511 174.487 0.024 1
1 407 . 18 1 1 A 40 40 PRO CA C 40 63.232 62.649 0.583 1
1 408 . 18 1 1 A 40 40 PRO HA H 40 4.447 4.491 -0.044 1
1 409 . 18 1 1 A 40 40 PRO CB C 40 32.194 32.317 -0.123 1
1 1 . 19 1 1 A 7 7 GLY CA C 7 45.432 46.244 -0.812 1
1 2 . 19 1 1 A 7 7 GLY C C 7 174.065 173.227 0.838 1
1 3 . 19 1 1 A 8 8 ALA N N 8 123.769 122.639 1.130 1
1 4 . 19 1 1 A 8 8 ALA H H 8 8.183 8.079 0.104 1
1 5 . 19 1 1 A 8 8 ALA CA C 8 52.778 51.256 1.522 1
1 6 . 19 1 1 A 8 8 ALA HA H 8 4.313 5.057 -0.744 1
1 7 . 19 1 1 A 8 8 ALA CB C 8 19.382 23.210 -3.828 1
1 11 . 19 1 1 A 8 8 ALA C C 8 178.301 176.633 1.668 1
1 12 . 19 1 1 A 9 9 GLY N N 9 108.153 106.666 1.487 1
1 13 . 19 1 1 A 9 9 GLY H H 9 8.410 8.588 -0.178 1
1 14 . 19 1 1 A 9 9 GLY CA C 9 45.309 45.083 0.226 1
1 15 . 19 1 1 A 9 9 GLY HA3 H 9 3.926 4.101 -0.175 1
1 16 . 19 1 1 A 9 9 GLY C C 9 174.030 174.612 -0.582 1
1 17 . 19 1 1 A 9 9 GLY HA2 H 9 3.926 4.096 -0.170 1
1 18 . 19 1 1 A 10 10 LYS N N 10 120.547 121.486 -0.939 1
1 19 . 19 1 1 A 10 10 LYS H H 10 8.067 8.305 -0.238 1
1 20 . 19 1 1 A 10 10 LYS CA C 10 56.267 57.090 -0.823 1
1 21 . 19 1 1 A 10 10 LYS HA H 10 4.277 3.956 0.321 1
1 22 . 19 1 1 A 10 10 LYS CB C 10 33.167 30.168 2.999 1
1 30 . 19 1 1 A 10 10 LYS C C 10 176.363 175.829 0.534 1
1 35 . 19 1 1 A 11 11 LYS N N 11 122.689 121.547 1.142 1
1 36 . 19 1 1 A 11 11 LYS H H 11 8.290 7.717 0.573 1
1 37 . 19 1 1 A 11 11 LYS CA C 11 56.098 56.329 -0.231 1
1 38 . 19 1 1 A 11 11 LYS HA H 11 4.180 4.360 -0.180 1
1 39 . 19 1 1 A 11 11 LYS CB C 11 32.953 33.513 -0.560 1
1 46 . 19 1 1 A 11 11 LYS C C 11 175.249 176.054 -0.805 1
1 51 . 19 1 1 A 12 12 LEU N N 12 121.792 122.960 -1.168 1
1 52 . 19 1 1 A 12 12 LEU H H 12 7.790 8.570 -0.780 1
1 53 . 19 1 1 A 12 12 LEU CA C 12 54.202 54.886 -0.684 1
1 54 . 19 1 1 A 12 12 LEU HA H 12 4.419 4.509 -0.090 1
1 55 . 19 1 1 A 12 12 LEU CB C 12 44.011 43.666 0.345 1
1 67 . 19 1 1 A 12 12 LEU C C 12 176.086 176.338 -0.252 1
1 69 . 19 1 1 A 13 13 PHE N N 13 121.077 115.839 5.238 1
1 70 . 19 1 1 A 13 13 PHE H H 13 8.628 7.668 0.960 1
1 71 . 19 1 1 A 13 13 PHE CA C 13 57.309 55.562 1.747 1
1 72 . 19 1 1 A 13 13 PHE HA H 13 4.578 5.431 -0.853 1
1 73 . 19 1 1 A 13 13 PHE CB C 13 40.107 43.246 -3.139 1
1 85 . 19 1 1 A 13 13 PHE C C 13 174.502 173.183 1.319 1
1 87 . 19 1 1 A 14 14 LYS N N 14 124.720 119.113 5.607 1
1 88 . 19 1 1 A 14 14 LYS H H 14 8.757 9.107 -0.350 1
1 89 . 19 1 1 A 14 14 LYS CA C 14 55.088 54.642 0.446 1
1 90 . 19 1 1 A 14 14 LYS HA H 14 4.866 5.149 -0.283 1
1 91 . 19 1 1 A 14 14 LYS CB C 14 35.570 36.192 -0.622 1
1 99 . 19 1 1 A 14 14 LYS C C 14 174.832 174.920 -0.088 1
1 104 . 19 1 1 A 15 15 CYS N N 15 127.003 122.084 4.919 1
1 105 . 19 1 1 A 15 15 CYS H H 15 8.884 8.853 0.031 1
1 106 . 19 1 1 A 15 15 CYS CA C 15 59.640 59.394 0.246 1
1 107 . 19 1 1 A 15 15 CYS HA H 15 4.497 4.598 -0.101 1
1 108 . 19 1 1 A 15 15 CYS CB C 15 29.562 28.278 1.284 1
1 110 . 19 1 1 A 15 15 CYS C C 15 176.310 175.817 0.493 1
1 112 . 19 1 1 A 16 16 ASN N N 16 128.404 126.217 2.187 1
1 113 . 19 1 1 A 16 16 ASN H H 16 9.250 9.070 0.180 1
1 114 . 19 1 1 A 16 16 ASN CA C 16 55.576 53.524 2.052 1
1 115 . 19 1 1 A 16 16 ASN HA H 16 4.554 4.909 -0.355 1
1 116 . 19 1 1 A 16 16 ASN CB C 16 38.591 38.682 -0.091 1
1 121 . 19 1 1 A 16 16 ASN C C 16 175.713 175.582 0.131 1
1 123 . 19 1 1 A 17 17 GLU N N 17 120.824 117.456 3.368 1
1 124 . 19 1 1 A 17 17 GLU H H 17 8.813 7.959 0.854 1
1 125 . 19 1 1 A 17 17 GLU CA C 17 58.125 56.979 1.146 1
1 126 . 19 1 1 A 17 17 GLU HA H 17 4.242 4.415 -0.173 1
1 127 . 19 1 1 A 17 17 GLU CB C 17 29.807 31.693 -1.886 1
1 131 . 19 1 1 A 17 17 GLU C C 17 176.504 177.819 -1.315 1
1 134 . 19 1 1 A 18 18 CYS N N 18 116.605 114.528 2.077 1
1 135 . 19 1 1 A 18 18 CYS H H 18 7.948 7.991 -0.043 1
1 136 . 19 1 1 A 18 18 CYS CA C 18 58.408 58.204 0.204 1
1 137 . 19 1 1 A 18 18 CYS HA H 18 5.061 4.553 0.508 1
1 138 . 19 1 1 A 18 18 CYS CB C 18 31.357 29.546 1.811 1
1 140 . 19 1 1 A 18 18 CYS C C 18 175.034 174.639 0.395 1
1 142 . 19 1 1 A 19 19 LYS N N 19 115.996 116.428 -0.432 1
1 143 . 19 1 1 A 19 19 LYS H H 19 8.013 7.745 0.268 1
1 144 . 19 1 1 A 19 19 LYS CA C 19 57.801 57.318 0.483 1
1 145 . 19 1 1 A 19 19 LYS HA H 19 4.131 4.088 0.043 1
1 146 . 19 1 1 A 19 19 LYS CB C 19 29.728 29.520 0.208 1
1 153 . 19 1 1 A 19 19 LYS C C 19 175.710 174.676 1.034 1
1 158 . 19 1 1 A 20 20 LYS N N 20 122.163 118.556 3.607 1
1 159 . 19 1 1 A 20 20 LYS H H 20 8.056 7.755 0.301 1
1 160 . 19 1 1 A 20 20 LYS CA C 20 58.153 54.586 3.567 1
1 161 . 19 1 1 A 20 20 LYS HA H 20 4.068 4.868 -0.800 1
1 162 . 19 1 1 A 20 20 LYS CB C 20 33.850 35.982 -2.132 1
1 170 . 19 1 1 A 20 20 LYS C C 20 175.054 175.032 0.022 1
1 175 . 19 1 1 A 21 21 THR N N 21 111.093 113.777 -2.684 1
1 176 . 19 1 1 A 21 21 THR H H 21 7.640 8.510 -0.870 1
1 177 . 19 1 1 A 21 21 THR CA C 21 59.789 59.251 0.538 1
1 178 . 19 1 1 A 21 21 THR HA H 21 5.059 5.333 -0.274 1
1 179 . 19 1 1 A 21 21 THR CB C 21 71.613 72.569 -0.956 1
1 185 . 19 1 1 A 21 21 THR C C 21 173.193 172.608 0.585 1
1 186 . 19 1 1 A 22 22 PHE N N 22 117.679 117.993 -0.314 1
1 187 . 19 1 1 A 22 22 PHE H H 22 8.794 8.773 0.021 1
1 188 . 19 1 1 A 22 22 PHE CA C 22 56.872 56.627 0.245 1
1 189 . 19 1 1 A 22 22 PHE HA H 22 4.857 4.963 -0.106 1
1 190 . 19 1 1 A 22 22 PHE CB C 22 43.851 43.334 0.517 1
1 202 . 19 1 1 A 22 22 PHE C C 22 175.647 175.960 -0.313 1
1 204 . 19 1 1 A 23 23 THR N N 23 111.367 115.854 -4.487 1
1 205 . 19 1 1 A 23 23 THR H H 23 8.994 8.787 0.207 1
1 206 . 19 1 1 A 23 23 THR CA C 23 62.862 66.519 -3.657 1
1 207 . 19 1 1 A 23 23 THR HA H 23 4.704 3.994 0.710 1
1 208 . 19 1 1 A 23 23 THR CB C 23 69.427 68.404 1.023 1
1 214 . 19 1 1 A 23 23 THR C C 23 174.807 175.081 -0.274 1
1 215 . 19 1 1 A 24 24 GLN N N 24 116.885 119.206 -2.321 1
1 216 . 19 1 1 A 24 24 GLN H H 24 7.420 7.909 -0.489 1
1 217 . 19 1 1 A 24 24 GLN CA C 24 54.233 54.443 -0.210 1
1 218 . 19 1 1 A 24 24 GLN HA H 24 4.695 4.895 -0.200 1
1 219 . 19 1 1 A 24 24 GLN CB C 24 32.047 31.422 0.625 1
1 226 . 19 1 1 A 24 24 GLN C C 24 175.738 176.694 -0.956 1
1 229 . 19 1 1 A 25 25 SER CA C 25 60.953 61.433 -0.480 1
1 230 . 19 1 1 A 25 25 SER HA H 25 3.007 3.458 -0.451 1
1 231 . 19 1 1 A 25 25 SER CB C 25 61.858 62.622 -0.764 1
1 234 . 19 1 1 A 26 26 SER CA C 26 60.852 61.404 -0.552 1
1 235 . 19 1 1 A 26 26 SER HA H 26 4.030 3.934 0.096 1
1 236 . 19 1 1 A 26 26 SER CB C 26 61.476 63.038 -1.562 1
1 238 . 19 1 1 A 26 26 SER C C 26 176.745 176.936 -0.191 1
1 240 . 19 1 1 A 27 27 SER N N 27 116.833 115.409 1.424 1
1 241 . 19 1 1 A 27 27 SER H H 27 6.854 8.003 -1.149 1
1 242 . 19 1 1 A 27 27 SER CA C 27 60.741 61.221 -0.480 1
1 243 . 19 1 1 A 27 27 SER HA H 27 4.159 3.921 0.238 1
1 244 . 19 1 1 A 27 27 SER CB C 27 62.443 62.619 -0.176 1
1 246 . 19 1 1 A 27 27 SER C C 27 176.287 176.619 -0.332 1
1 248 . 19 1 1 A 28 28 LEU N N 28 123.878 122.534 1.344 1
1 249 . 19 1 1 A 28 28 LEU H H 28 6.955 8.050 -1.095 1
1 250 . 19 1 1 A 28 28 LEU CA C 28 57.843 57.931 -0.088 1
1 251 . 19 1 1 A 28 28 LEU HA H 28 3.164 3.957 -0.793 1
1 252 . 19 1 1 A 28 28 LEU CB C 28 40.011 41.741 -1.730 1
1 264 . 19 1 1 A 28 28 LEU C C 28 177.222 178.655 -1.433 1
1 266 . 19 1 1 A 29 29 THR N N 29 116.142 114.063 2.079 1
1 267 . 19 1 1 A 29 29 THR H H 29 8.071 7.936 0.135 1
1 268 . 19 1 1 A 29 29 THR CA C 29 66.739 66.696 0.043 1
1 269 . 19 1 1 A 29 29 THR HA H 29 3.894 3.801 0.093 1
1 270 . 19 1 1 A 29 29 THR CB C 29 68.480 68.404 0.076 1
1 276 . 19 1 1 A 29 29 THR C C 29 176.872 176.189 0.683 1
1 277 . 19 1 1 A 30 30 VAL N N 30 119.927 120.252 -0.325 1
1 278 . 19 1 1 A 30 30 VAL H H 30 7.466 7.917 -0.451 1
1 279 . 19 1 1 A 30 30 VAL CA C 30 66.507 65.152 1.355 1
1 280 . 19 1 1 A 30 30 VAL HA H 30 3.515 3.649 -0.134 1
1 281 . 19 1 1 A 30 30 VAL CB C 30 32.190 31.097 1.093 1
1 291 . 19 1 1 A 30 30 VAL C C 30 178.591 177.257 1.334 1
1 292 . 19 1 1 A 31 31 HIS N N 31 120.154 120.702 -0.548 1
1 293 . 19 1 1 A 31 31 HIS H H 31 7.526 7.479 0.047 1
1 294 . 19 1 1 A 31 31 HIS CA C 31 59.359 59.044 0.315 1
1 295 . 19 1 1 A 31 31 HIS HA H 31 4.162 4.170 -0.008 1
1 296 . 19 1 1 A 31 31 HIS CB C 31 28.537 29.453 -0.916 1
1 302 . 19 1 1 A 31 31 HIS C C 31 176.216 176.984 -0.768 1
1 304 . 19 1 1 A 32 32 GLN N N 32 114.689 118.605 -3.916 1
1 305 . 19 1 1 A 32 32 GLN H H 32 8.372 8.507 -0.135 1
1 306 . 19 1 1 A 32 32 GLN CA C 32 59.351 58.531 0.820 1
1 307 . 19 1 1 A 32 32 GLN HA H 32 3.669 3.699 -0.030 1
1 308 . 19 1 1 A 32 32 GLN CB C 32 28.390 28.285 0.105 1
1 315 . 19 1 1 A 32 32 GLN C C 32 177.432 177.975 -0.543 1
1 318 . 19 1 1 A 33 33 ARG N N 33 117.675 118.102 -0.427 1
1 319 . 19 1 1 A 33 33 ARG H H 33 7.199 7.500 -0.301 1
1 320 . 19 1 1 A 33 33 ARG CA C 33 58.529 58.772 -0.243 1
1 321 . 19 1 1 A 33 33 ARG HA H 33 4.128 4.314 -0.186 1
1 322 . 19 1 1 A 33 33 ARG CB C 33 30.081 29.835 0.246 1
1 328 . 19 1 1 A 33 33 ARG C C 33 178.711 178.532 0.179 1
1 332 . 19 1 1 A 34 34 ILE N N 34 116.218 119.930 -3.712 1
1 333 . 19 1 1 A 34 34 ILE H H 34 7.863 7.514 0.349 1
1 334 . 19 1 1 A 34 34 ILE CA C 34 63.114 65.074 -1.960 1
1 335 . 19 1 1 A 34 34 ILE HA H 34 3.948 3.503 0.445 1
1 336 . 19 1 1 A 34 34 ILE CB C 34 37.777 37.331 0.446 1
1 348 . 19 1 1 A 34 34 ILE C C 34 177.391 177.988 -0.597 1
1 350 . 19 1 1 A 35 35 HIS N N 35 117.652 119.042 -1.390 1
1 351 . 19 1 1 A 35 35 HIS H H 35 7.196 7.367 -0.171 1
1 352 . 19 1 1 A 35 35 HIS CA C 35 55.169 60.021 -4.852 1
1 353 . 19 1 1 A 35 35 HIS HA H 35 4.838 4.419 0.419 1
1 354 . 19 1 1 A 35 35 HIS CB C 35 28.595 30.085 -1.490 1
1 360 . 19 1 1 A 35 35 HIS C C 35 175.849 178.587 -2.738 1
1 362 . 19 1 1 A 36 36 THR N N 36 111.767 114.055 -2.288 1
1 363 . 19 1 1 A 36 36 THR H H 36 7.785 8.145 -0.360 1
1 364 . 19 1 1 A 36 36 THR CA C 36 62.507 65.151 -2.644 1
1 365 . 19 1 1 A 36 36 THR HA H 36 4.335 4.068 0.267 1
1 366 . 19 1 1 A 36 36 THR CB C 36 69.809 68.277 1.532 1
1 372 . 19 1 1 A 36 36 THR C C 36 175.513 175.841 -0.328 1
1 373 . 19 1 1 A 37 37 GLY N N 37 110.668 108.018 2.650 1
1 374 . 19 1 1 A 37 37 GLY H H 37 8.239 7.811 0.428 1
1 375 . 19 1 1 A 37 37 GLY CA C 37 45.371 45.812 -0.441 1
1 376 . 19 1 1 A 37 37 GLY HA3 H 37 3.945 3.985 -0.040 1
1 377 . 19 1 1 A 37 37 GLY C C 37 174.036 174.106 -0.070 1
1 378 . 19 1 1 A 37 37 GLY HA2 H 37 4.006 3.974 0.032 1
1 379 . 19 1 1 A 38 38 GLU N N 38 120.549 118.625 1.924 1
1 380 . 19 1 1 A 38 38 GLU H H 38 8.080 7.862 0.218 1
1 381 . 19 1 1 A 38 38 GLU CA C 38 56.482 55.757 0.725 1
1 382 . 19 1 1 A 38 38 GLU HA H 38 4.228 4.492 -0.264 1
1 383 . 19 1 1 A 38 38 GLU CB C 38 30.588 31.127 -0.539 1
1 387 . 19 1 1 A 38 38 GLU C C 38 176.186 176.174 0.012 1
1 390 . 19 1 1 A 39 39 LYS N N 39 123.911 119.807 4.104 1
1 391 . 19 1 1 A 39 39 LYS H H 39 8.412 8.284 0.128 1
1 392 . 19 1 1 A 39 39 LYS CA C 39 54.143 54.618 -0.475 1
1 393 . 19 1 1 A 39 39 LYS HA H 39 4.596 4.593 0.003 1
1 394 . 19 1 1 A 39 39 LYS CB C 39 32.571 32.709 -0.138 1
1 402 . 19 1 1 A 39 39 LYS C C 39 174.511 175.055 -0.544 1
1 407 . 19 1 1 A 40 40 PRO CA C 40 63.232 62.764 0.468 1
1 408 . 19 1 1 A 40 40 PRO HA H 40 4.447 4.604 -0.157 1
1 409 . 19 1 1 A 40 40 PRO CB C 40 32.194 31.682 0.512 1
1 1 . 20 1 1 A 7 7 GLY CA C 7 45.432 45.994 -0.562 1
1 2 . 20 1 1 A 7 7 GLY C C 7 174.065 173.342 0.723 1
1 3 . 20 1 1 A 8 8 ALA N N 8 123.769 122.271 1.498 1
1 4 . 20 1 1 A 8 8 ALA H H 8 8.183 8.161 0.022 1
1 5 . 20 1 1 A 8 8 ALA CA C 8 52.778 50.804 1.974 1
1 6 . 20 1 1 A 8 8 ALA HA H 8 4.313 4.424 -0.111 1
1 7 . 20 1 1 A 8 8 ALA CB C 8 19.382 18.392 0.990 1
1 11 . 20 1 1 A 8 8 ALA C C 8 178.301 176.562 1.739 1
1 12 . 20 1 1 A 9 9 GLY N N 9 108.153 109.098 -0.945 1
1 13 . 20 1 1 A 9 9 GLY H H 9 8.410 8.458 -0.048 1
1 14 . 20 1 1 A 9 9 GLY CA C 9 45.309 45.434 -0.125 1
1 15 . 20 1 1 A 9 9 GLY HA3 H 9 3.926 4.097 -0.171 1
1 16 . 20 1 1 A 9 9 GLY C C 9 174.030 172.957 1.073 1
1 17 . 20 1 1 A 9 9 GLY HA2 H 9 3.926 4.094 -0.168 1
1 18 . 20 1 1 A 10 10 LYS N N 10 120.547 121.667 -1.120 1
1 19 . 20 1 1 A 10 10 LYS H H 10 8.067 8.413 -0.346 1
1 20 . 20 1 1 A 10 10 LYS CA C 10 56.267 56.113 0.154 1
1 21 . 20 1 1 A 10 10 LYS HA H 10 4.277 4.303 -0.026 1
1 22 . 20 1 1 A 10 10 LYS CB C 10 33.167 32.528 0.639 1
1 30 . 20 1 1 A 10 10 LYS C C 10 176.363 175.323 1.040 1
1 35 . 20 1 1 A 11 11 LYS N N 11 122.689 124.920 -2.231 1
1 36 . 20 1 1 A 11 11 LYS H H 11 8.290 8.530 -0.240 1
1 37 . 20 1 1 A 11 11 LYS CA C 11 56.098 54.889 1.209 1
1 38 . 20 1 1 A 11 11 LYS HA H 11 4.180 5.034 -0.854 1
1 39 . 20 1 1 A 11 11 LYS CB C 11 32.953 36.189 -3.236 1
1 46 . 20 1 1 A 11 11 LYS C C 11 175.249 174.676 0.573 1
1 51 . 20 1 1 A 12 12 LEU N N 12 121.792 121.065 0.727 1
1 52 . 20 1 1 A 12 12 LEU H H 12 7.790 8.495 -0.705 1
1 53 . 20 1 1 A 12 12 LEU CA C 12 54.202 54.543 -0.341 1
1 54 . 20 1 1 A 12 12 LEU HA H 12 4.419 4.461 -0.042 1
1 55 . 20 1 1 A 12 12 LEU CB C 12 44.011 43.796 0.215 1
1 67 . 20 1 1 A 12 12 LEU C C 12 176.086 176.695 -0.609 1
1 69 . 20 1 1 A 13 13 PHE N N 13 121.077 118.101 2.976 1
1 70 . 20 1 1 A 13 13 PHE H H 13 8.628 7.669 0.959 1
1 71 . 20 1 1 A 13 13 PHE CA C 13 57.309 56.226 1.083 1
1 72 . 20 1 1 A 13 13 PHE HA H 13 4.578 5.362 -0.784 1
1 73 . 20 1 1 A 13 13 PHE CB C 13 40.107 43.260 -3.153 1
1 85 . 20 1 1 A 13 13 PHE C C 13 174.502 174.040 0.462 1
1 87 . 20 1 1 A 14 14 LYS N N 14 124.720 122.298 2.422 1
1 88 . 20 1 1 A 14 14 LYS H H 14 8.757 9.141 -0.384 1
1 89 . 20 1 1 A 14 14 LYS CA C 14 55.088 54.572 0.516 1
1 90 . 20 1 1 A 14 14 LYS HA H 14 4.866 5.249 -0.383 1
1 91 . 20 1 1 A 14 14 LYS CB C 14 35.570 36.731 -1.161 1
1 99 . 20 1 1 A 14 14 LYS C C 14 174.832 174.827 0.005 1
1 104 . 20 1 1 A 15 15 CYS N N 15 127.003 125.095 1.908 1
1 105 . 20 1 1 A 15 15 CYS H H 15 8.884 8.952 -0.068 1
1 106 . 20 1 1 A 15 15 CYS CA C 15 59.640 58.152 1.488 1
1 107 . 20 1 1 A 15 15 CYS HA H 15 4.497 4.758 -0.261 1
1 108 . 20 1 1 A 15 15 CYS CB C 15 29.562 28.849 0.713 1
1 110 . 20 1 1 A 15 15 CYS C C 15 176.310 175.627 0.683 1
1 112 . 20 1 1 A 16 16 ASN N N 16 128.404 126.431 1.973 1
1 113 . 20 1 1 A 16 16 ASN H H 16 9.250 9.124 0.126 1
1 114 . 20 1 1 A 16 16 ASN CA C 16 55.576 52.350 3.226 1
1 115 . 20 1 1 A 16 16 ASN HA H 16 4.554 4.889 -0.335 1
1 116 . 20 1 1 A 16 16 ASN CB C 16 38.591 37.122 1.469 1
1 121 . 20 1 1 A 16 16 ASN C C 16 175.713 176.269 -0.556 1
1 123 . 20 1 1 A 17 17 GLU N N 17 120.824 120.281 0.543 1
1 124 . 20 1 1 A 17 17 GLU H H 17 8.813 8.024 0.789 1
1 125 . 20 1 1 A 17 17 GLU CA C 17 58.125 57.011 1.114 1
1 126 . 20 1 1 A 17 17 GLU HA H 17 4.242 4.446 -0.204 1
1 127 . 20 1 1 A 17 17 GLU CB C 17 29.807 32.347 -2.540 1
1 131 . 20 1 1 A 17 17 GLU C C 17 176.504 177.510 -1.006 1
1 134 . 20 1 1 A 18 18 CYS N N 18 116.605 114.169 2.436 1
1 135 . 20 1 1 A 18 18 CYS H H 18 7.948 7.917 0.031 1
1 136 . 20 1 1 A 18 18 CYS CA C 18 58.408 57.891 0.517 1
1 137 . 20 1 1 A 18 18 CYS HA H 18 5.061 4.531 0.530 1
1 138 . 20 1 1 A 18 18 CYS CB C 18 31.357 28.562 2.795 1
1 140 . 20 1 1 A 18 18 CYS C C 18 175.034 174.618 0.416 1
1 142 . 20 1 1 A 19 19 LYS N N 19 115.996 115.742 0.254 1
1 143 . 20 1 1 A 19 19 LYS H H 19 8.013 7.668 0.345 1
1 144 . 20 1 1 A 19 19 LYS CA C 19 57.801 57.391 0.410 1
1 145 . 20 1 1 A 19 19 LYS HA H 19 4.131 3.879 0.252 1
1 146 . 20 1 1 A 19 19 LYS CB C 19 29.728 29.486 0.242 1
1 153 . 20 1 1 A 19 19 LYS C C 19 175.710 174.781 0.929 1
1 158 . 20 1 1 A 20 20 LYS N N 20 122.163 118.862 3.301 1
1 159 . 20 1 1 A 20 20 LYS H H 20 8.056 7.864 0.192 1
1 160 . 20 1 1 A 20 20 LYS CA C 20 58.153 54.623 3.530 1
1 161 . 20 1 1 A 20 20 LYS HA H 20 4.068 4.985 -0.917 1
1 162 . 20 1 1 A 20 20 LYS CB C 20 33.850 35.989 -2.139 1
1 170 . 20 1 1 A 20 20 LYS C C 20 175.054 175.564 -0.510 1
1 175 . 20 1 1 A 21 21 THR N N 21 111.093 112.787 -1.694 1
1 176 . 20 1 1 A 21 21 THR H H 21 7.640 8.917 -1.277 1
1 177 . 20 1 1 A 21 21 THR CA C 21 59.789 59.235 0.554 1
1 178 . 20 1 1 A 21 21 THR HA H 21 5.059 5.503 -0.444 1
1 179 . 20 1 1 A 21 21 THR CB C 21 71.613 72.329 -0.716 1
1 185 . 20 1 1 A 21 21 THR C C 21 173.193 173.580 -0.387 1
1 186 . 20 1 1 A 22 22 PHE N N 22 117.679 117.368 0.311 1
1 187 . 20 1 1 A 22 22 PHE H H 22 8.794 8.730 0.064 1
1 188 . 20 1 1 A 22 22 PHE CA C 22 56.872 56.802 0.070 1
1 189 . 20 1 1 A 22 22 PHE HA H 22 4.857 4.942 -0.085 1
1 190 . 20 1 1 A 22 22 PHE CB C 22 43.851 43.517 0.334 1
1 202 . 20 1 1 A 22 22 PHE C C 22 175.647 175.842 -0.195 1
1 204 . 20 1 1 A 23 23 THR N N 23 111.367 116.876 -5.509 1
1 205 . 20 1 1 A 23 23 THR H H 23 8.994 8.653 0.341 1
1 206 . 20 1 1 A 23 23 THR CA C 23 62.862 65.286 -2.424 1
1 207 . 20 1 1 A 23 23 THR HA H 23 4.704 4.096 0.608 1
1 208 . 20 1 1 A 23 23 THR CB C 23 69.427 69.119 0.308 1
1 214 . 20 1 1 A 23 23 THR C C 23 174.807 173.782 1.025 1
1 215 . 20 1 1 A 24 24 GLN N N 24 116.885 117.728 -0.843 1
1 216 . 20 1 1 A 24 24 GLN H H 24 7.420 7.506 -0.086 1
1 217 . 20 1 1 A 24 24 GLN CA C 24 54.233 54.024 0.209 1
1 218 . 20 1 1 A 24 24 GLN HA H 24 4.695 4.997 -0.302 1
1 219 . 20 1 1 A 24 24 GLN CB C 24 32.047 32.708 -0.661 1
1 226 . 20 1 1 A 24 24 GLN C C 24 175.738 176.498 -0.760 1
1 229 . 20 1 1 A 25 25 SER CA C 25 60.953 61.330 -0.377 1
1 230 . 20 1 1 A 25 25 SER HA H 25 3.007 4.109 -1.102 1
1 231 . 20 1 1 A 25 25 SER CB C 25 61.858 62.549 -0.691 1
1 234 . 20 1 1 A 26 26 SER CA C 26 60.852 61.536 -0.684 1
1 235 . 20 1 1 A 26 26 SER HA H 26 4.030 4.227 -0.197 1
1 236 . 20 1 1 A 26 26 SER CB C 26 61.476 62.608 -1.132 1
1 238 . 20 1 1 A 26 26 SER C C 26 176.745 176.505 0.240 1
1 240 . 20 1 1 A 27 27 SER N N 27 116.833 115.878 0.955 1
1 241 . 20 1 1 A 27 27 SER H H 27 6.854 8.512 -1.658 1
1 242 . 20 1 1 A 27 27 SER CA C 27 60.741 61.550 -0.809 1
1 243 . 20 1 1 A 27 27 SER HA H 27 4.159 4.197 -0.038 1
1 244 . 20 1 1 A 27 27 SER CB C 27 62.443 62.572 -0.129 1
1 246 . 20 1 1 A 27 27 SER C C 27 176.287 176.736 -0.449 1
1 248 . 20 1 1 A 28 28 LEU N N 28 123.878 124.061 -0.183 1
1 249 . 20 1 1 A 28 28 LEU H H 28 6.955 7.802 -0.847 1
1 250 . 20 1 1 A 28 28 LEU CA C 28 57.843 57.829 0.014 1
1 251 . 20 1 1 A 28 28 LEU HA H 28 3.164 3.046 0.118 1
1 252 . 20 1 1 A 28 28 LEU CB C 28 40.011 41.764 -1.753 1
1 264 . 20 1 1 A 28 28 LEU C C 28 177.222 178.529 -1.307 1
1 266 . 20 1 1 A 29 29 THR N N 29 116.142 114.017 2.125 1
1 267 . 20 1 1 A 29 29 THR H H 29 8.071 8.239 -0.168 1
1 268 . 20 1 1 A 29 29 THR CA C 29 66.739 66.598 0.141 1
1 269 . 20 1 1 A 29 29 THR HA H 29 3.894 3.802 0.092 1
1 270 . 20 1 1 A 29 29 THR CB C 29 68.480 68.459 0.021 1
1 276 . 20 1 1 A 29 29 THR C C 29 176.872 176.882 -0.010 1
1 277 . 20 1 1 A 30 30 VAL N N 30 119.927 120.211 -0.284 1
1 278 . 20 1 1 A 30 30 VAL H H 30 7.466 7.700 -0.234 1
1 279 . 20 1 1 A 30 30 VAL CA C 30 66.507 64.279 2.228 1
1 280 . 20 1 1 A 30 30 VAL HA H 30 3.515 3.821 -0.306 1
1 281 . 20 1 1 A 30 30 VAL CB C 30 32.190 31.557 0.633 1
1 291 . 20 1 1 A 30 30 VAL C C 30 178.591 177.216 1.375 1
1 292 . 20 1 1 A 31 31 HIS N N 31 120.154 121.620 -1.466 1
1 293 . 20 1 1 A 31 31 HIS H H 31 7.526 8.095 -0.569 1
1 294 . 20 1 1 A 31 31 HIS CA C 31 59.359 58.489 0.870 1
1 295 . 20 1 1 A 31 31 HIS HA H 31 4.162 4.133 0.029 1
1 296 . 20 1 1 A 31 31 HIS CB C 31 28.537 29.431 -0.894 1
1 302 . 20 1 1 A 31 31 HIS C C 31 176.216 177.125 -0.909 1
1 304 . 20 1 1 A 32 32 GLN N N 32 114.689 118.267 -3.578 1
1 305 . 20 1 1 A 32 32 GLN H H 32 8.372 8.047 0.325 1
1 306 . 20 1 1 A 32 32 GLN CA C 32 59.351 59.478 -0.127 1
1 307 . 20 1 1 A 32 32 GLN HA H 32 3.669 3.418 0.251 1
1 308 . 20 1 1 A 32 32 GLN CB C 32 28.390 28.531 -0.141 1
1 315 . 20 1 1 A 32 32 GLN C C 32 177.432 178.410 -0.978 1
1 318 . 20 1 1 A 33 33 ARG N N 33 117.675 117.521 0.154 1
1 319 . 20 1 1 A 33 33 ARG H H 33 7.199 7.497 -0.298 1
1 320 . 20 1 1 A 33 33 ARG CA C 33 58.529 58.530 -0.001 1
1 321 . 20 1 1 A 33 33 ARG HA H 33 4.128 4.019 0.109 1
1 322 . 20 1 1 A 33 33 ARG CB C 33 30.081 30.076 0.005 1
1 328 . 20 1 1 A 33 33 ARG C C 33 178.711 178.404 0.307 1
1 332 . 20 1 1 A 34 34 ILE N N 34 116.218 120.715 -4.497 1
1 333 . 20 1 1 A 34 34 ILE H H 34 7.863 7.586 0.277 1
1 334 . 20 1 1 A 34 34 ILE CA C 34 63.114 65.195 -2.081 1
1 335 . 20 1 1 A 34 34 ILE HA H 34 3.948 3.618 0.330 1
1 336 . 20 1 1 A 34 34 ILE CB C 34 37.777 37.713 0.064 1
1 348 . 20 1 1 A 34 34 ILE C C 34 177.391 177.812 -0.421 1
1 350 . 20 1 1 A 35 35 HIS N N 35 117.652 119.470 -1.818 1
1 351 . 20 1 1 A 35 35 HIS H H 35 7.196 7.526 -0.330 1
1 352 . 20 1 1 A 35 35 HIS CA C 35 55.169 60.083 -4.914 1
1 353 . 20 1 1 A 35 35 HIS HA H 35 4.838 4.250 0.588 1
1 354 . 20 1 1 A 35 35 HIS CB C 35 28.595 30.113 -1.518 1
1 360 . 20 1 1 A 35 35 HIS C C 35 175.849 178.301 -2.452 1
1 362 . 20 1 1 A 36 36 THR N N 36 111.767 113.424 -1.657 1
1 363 . 20 1 1 A 36 36 THR H H 36 7.785 7.846 -0.061 1
1 364 . 20 1 1 A 36 36 THR CA C 36 62.507 65.398 -2.891 1
1 365 . 20 1 1 A 36 36 THR HA H 36 4.335 3.942 0.393 1
1 366 . 20 1 1 A 36 36 THR CB C 36 69.809 67.956 1.853 1
1 372 . 20 1 1 A 36 36 THR C C 36 175.513 177.346 -1.833 1
1 373 . 20 1 1 A 37 37 GLY N N 37 110.668 110.392 0.276 1
1 374 . 20 1 1 A 37 37 GLY H H 37 8.239 8.567 -0.328 1
1 375 . 20 1 1 A 37 37 GLY CA C 37 45.371 47.449 -2.078 1
1 376 . 20 1 1 A 37 37 GLY HA3 H 37 3.945 3.701 0.244 1
1 377 . 20 1 1 A 37 37 GLY C C 37 174.036 175.169 -1.133 1
1 378 . 20 1 1 A 37 37 GLY HA2 H 37 4.006 3.694 0.312 1
1 379 . 20 1 1 A 38 38 GLU N N 38 120.549 118.886 1.663 1
1 380 . 20 1 1 A 38 38 GLU H H 38 8.080 7.781 0.299 1
1 381 . 20 1 1 A 38 38 GLU CA C 38 56.482 56.224 0.258 1
1 382 . 20 1 1 A 38 38 GLU HA H 38 4.228 4.419 -0.191 1
1 383 . 20 1 1 A 38 38 GLU CB C 38 30.588 30.746 -0.158 1
1 387 . 20 1 1 A 38 38 GLU C C 38 176.186 175.942 0.244 1
1 390 . 20 1 1 A 39 39 LYS N N 39 123.911 120.561 3.350 1
1 391 . 20 1 1 A 39 39 LYS H H 39 8.412 8.402 0.010 1
1 392 . 20 1 1 A 39 39 LYS CA C 39 54.143 53.249 0.894 1
1 393 . 20 1 1 A 39 39 LYS HA H 39 4.596 4.811 -0.215 1
1 394 . 20 1 1 A 39 39 LYS CB C 39 32.571 32.271 0.300 1
1 402 . 20 1 1 A 39 39 LYS C C 39 174.511 174.450 0.061 1
1 407 . 20 1 1 A 40 40 PRO CA C 40 63.232 62.412 0.820 1
1 408 . 20 1 1 A 40 40 PRO HA H 40 4.447 4.495 -0.048 1
1 409 . 20 1 1 A 40 40 PRO CB C 40 32.194 32.278 -0.084 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 32 0.764 1
2 1 1 1 "RMS(OBS, PRED)" CA 34 1.619 1
3 1 1 1 "RMS(OBS, PRED)" CB 31 1.476 1
4 1 1 1 "RMS(OBS, PRED)" H 30 0.561 1
5 1 1 1 "RMS(OBS, PRED)" HA 35 0.395 1
6 1 1 1 "RMS(OBS, PRED)" N 30 2.702 1
7 1 2 1 "RMS(OBS, PRED)" C 32 0.937 1
8 1 2 1 "RMS(OBS, PRED)" CA 34 1.654 1
9 1 2 1 "RMS(OBS, PRED)" CB 31 1.214 1
10 1 2 1 "RMS(OBS, PRED)" H 30 0.560 1
11 1 2 1 "RMS(OBS, PRED)" HA 35 0.395 1
12 1 2 1 "RMS(OBS, PRED)" N 30 2.895 1
13 1 3 1 "RMS(OBS, PRED)" C 32 0.810 1
14 1 3 1 "RMS(OBS, PRED)" CA 34 1.525 1
15 1 3 1 "RMS(OBS, PRED)" CB 31 1.308 1
16 1 3 1 "RMS(OBS, PRED)" H 30 0.514 1
17 1 3 1 "RMS(OBS, PRED)" HA 35 0.345 1
18 1 3 1 "RMS(OBS, PRED)" N 30 2.693 1
19 1 4 1 "RMS(OBS, PRED)" C 32 0.787 1
20 1 4 1 "RMS(OBS, PRED)" CA 34 1.506 1
21 1 4 1 "RMS(OBS, PRED)" CB 31 1.414 1
22 1 4 1 "RMS(OBS, PRED)" H 30 0.519 1
23 1 4 1 "RMS(OBS, PRED)" HA 35 0.355 1
24 1 4 1 "RMS(OBS, PRED)" N 30 2.493 1
25 1 5 1 "RMS(OBS, PRED)" C 32 0.799 1
26 1 5 1 "RMS(OBS, PRED)" CA 34 1.551 1
27 1 5 1 "RMS(OBS, PRED)" CB 31 1.187 1
28 1 5 1 "RMS(OBS, PRED)" H 30 0.578 1
29 1 5 1 "RMS(OBS, PRED)" HA 35 0.352 1
30 1 5 1 "RMS(OBS, PRED)" N 30 2.857 1
31 1 6 1 "RMS(OBS, PRED)" C 32 0.906 1
32 1 6 1 "RMS(OBS, PRED)" CA 34 1.513 1
33 1 6 1 "RMS(OBS, PRED)" CB 31 1.226 1
34 1 6 1 "RMS(OBS, PRED)" H 30 0.561 1
35 1 6 1 "RMS(OBS, PRED)" HA 35 0.376 1
36 1 6 1 "RMS(OBS, PRED)" N 30 2.707 1
37 1 7 1 "RMS(OBS, PRED)" C 32 0.756 1
38 1 7 1 "RMS(OBS, PRED)" CA 34 1.497 1
39 1 7 1 "RMS(OBS, PRED)" CB 31 1.405 1
40 1 7 1 "RMS(OBS, PRED)" H 30 0.549 1
41 1 7 1 "RMS(OBS, PRED)" HA 35 0.325 1
42 1 7 1 "RMS(OBS, PRED)" N 30 2.865 1
43 1 8 1 "RMS(OBS, PRED)" C 32 1.016 1
44 1 8 1 "RMS(OBS, PRED)" CA 34 1.563 1
45 1 8 1 "RMS(OBS, PRED)" CB 31 1.587 1
46 1 8 1 "RMS(OBS, PRED)" H 30 0.553 1
47 1 8 1 "RMS(OBS, PRED)" HA 35 0.437 1
48 1 8 1 "RMS(OBS, PRED)" N 30 2.621 1
49 1 9 1 "RMS(OBS, PRED)" C 32 0.797 1
50 1 9 1 "RMS(OBS, PRED)" CA 34 1.394 1
51 1 9 1 "RMS(OBS, PRED)" CB 31 1.385 1
52 1 9 1 "RMS(OBS, PRED)" H 30 0.505 1
53 1 9 1 "RMS(OBS, PRED)" HA 35 0.351 1
54 1 9 1 "RMS(OBS, PRED)" N 30 2.447 1
55 1 10 1 "RMS(OBS, PRED)" C 32 0.924 1
56 1 10 1 "RMS(OBS, PRED)" CA 34 1.445 1
57 1 10 1 "RMS(OBS, PRED)" CB 31 1.392 1
58 1 10 1 "RMS(OBS, PRED)" H 30 0.525 1
59 1 10 1 "RMS(OBS, PRED)" HA 35 0.332 1
60 1 10 1 "RMS(OBS, PRED)" N 30 2.925 1
61 1 11 1 "RMS(OBS, PRED)" C 32 0.869 1
62 1 11 1 "RMS(OBS, PRED)" CA 34 1.343 1
63 1 11 1 "RMS(OBS, PRED)" CB 31 1.211 1
64 1 11 1 "RMS(OBS, PRED)" H 30 0.549 1
65 1 11 1 "RMS(OBS, PRED)" HA 35 0.372 1
66 1 11 1 "RMS(OBS, PRED)" N 30 2.567 1
67 1 12 1 "RMS(OBS, PRED)" C 32 0.750 1
68 1 12 1 "RMS(OBS, PRED)" CA 34 1.644 1
69 1 12 1 "RMS(OBS, PRED)" CB 31 1.394 1
70 1 12 1 "RMS(OBS, PRED)" H 30 0.490 1
71 1 12 1 "RMS(OBS, PRED)" HA 35 0.348 1
72 1 12 1 "RMS(OBS, PRED)" N 30 2.515 1
73 1 13 1 "RMS(OBS, PRED)" C 32 0.768 1
74 1 13 1 "RMS(OBS, PRED)" CA 34 1.544 1
75 1 13 1 "RMS(OBS, PRED)" CB 31 1.445 1
76 1 13 1 "RMS(OBS, PRED)" H 30 0.539 1
77 1 13 1 "RMS(OBS, PRED)" HA 35 0.357 1
78 1 13 1 "RMS(OBS, PRED)" N 30 2.772 1
79 1 14 1 "RMS(OBS, PRED)" C 32 0.722 1
80 1 14 1 "RMS(OBS, PRED)" CA 34 1.545 1
81 1 14 1 "RMS(OBS, PRED)" CB 31 1.405 1
82 1 14 1 "RMS(OBS, PRED)" H 30 0.576 1
83 1 14 1 "RMS(OBS, PRED)" HA 35 0.382 1
84 1 14 1 "RMS(OBS, PRED)" N 30 2.594 1
85 1 15 1 "RMS(OBS, PRED)" C 32 0.947 1
86 1 15 1 "RMS(OBS, PRED)" CA 34 1.692 1
87 1 15 1 "RMS(OBS, PRED)" CB 31 1.469 1
88 1 15 1 "RMS(OBS, PRED)" H 30 0.560 1
89 1 15 1 "RMS(OBS, PRED)" HA 35 0.396 1
90 1 15 1 "RMS(OBS, PRED)" N 30 2.496 1
91 1 16 1 "RMS(OBS, PRED)" C 32 1.023 1
92 1 16 1 "RMS(OBS, PRED)" CA 34 1.732 1
93 1 16 1 "RMS(OBS, PRED)" CB 31 1.351 1
94 1 16 1 "RMS(OBS, PRED)" H 30 0.556 1
95 1 16 1 "RMS(OBS, PRED)" HA 35 0.419 1
96 1 16 1 "RMS(OBS, PRED)" N 30 2.516 1
97 1 17 1 "RMS(OBS, PRED)" C 32 0.995 1
98 1 17 1 "RMS(OBS, PRED)" CA 34 1.634 1
99 1 17 1 "RMS(OBS, PRED)" CB 31 1.255 1
100 1 17 1 "RMS(OBS, PRED)" H 30 0.525 1
101 1 17 1 "RMS(OBS, PRED)" HA 35 0.326 1
102 1 17 1 "RMS(OBS, PRED)" N 30 2.640 1
103 1 18 1 "RMS(OBS, PRED)" C 32 0.880 1
104 1 18 1 "RMS(OBS, PRED)" CA 34 1.602 1
105 1 18 1 "RMS(OBS, PRED)" CB 31 1.710 1
106 1 18 1 "RMS(OBS, PRED)" H 30 0.531 1
107 1 18 1 "RMS(OBS, PRED)" HA 35 0.381 1
108 1 18 1 "RMS(OBS, PRED)" N 30 3.190 1
109 1 19 1 "RMS(OBS, PRED)" C 32 0.895 1
110 1 19 1 "RMS(OBS, PRED)" CA 34 1.545 1
111 1 19 1 "RMS(OBS, PRED)" CB 31 1.455 1
112 1 19 1 "RMS(OBS, PRED)" H 30 0.506 1
113 1 19 1 "RMS(OBS, PRED)" HA 35 0.374 1
114 1 19 1 "RMS(OBS, PRED)" N 30 2.811 1
115 1 20 1 "RMS(OBS, PRED)" C 32 0.954 1
116 1 20 1 "RMS(OBS, PRED)" CA 34 1.651 1
117 1 20 1 "RMS(OBS, PRED)" CB 31 1.389 1
118 1 20 1 "RMS(OBS, PRED)" H 30 0.549 1
119 1 20 1 "RMS(OBS, PRED)" HA 35 0.418 1
120 1 20 1 "RMS(OBS, PRED)" N 30 2.230 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 7 7 GLY CA C 7 45.432 46.078 -0.646 2
1 2 . 1 1 A 7 7 GLY C C 7 174.065 173.592 0.473 2
1 3 . 1 1 A 8 8 ALA N N 8 123.769 122.842 0.927 2
1 4 . 1 1 A 8 8 ALA H H 8 8.183 8.131 0.052 2
1 5 . 1 1 A 8 8 ALA CA C 8 52.778 51.681 1.097 2
1 6 . 1 1 A 8 8 ALA HA H 8 4.313 4.620 -0.306 2
1 7 . 1 1 A 8 8 ALA CB C 8 19.382 20.396 -1.014 2
1 11 . 1 1 A 8 8 ALA C C 8 178.301 176.613 1.688 2
1 12 . 1 1 A 9 9 GLY N N 9 108.153 107.730 0.423 2
1 13 . 1 1 A 9 9 GLY H H 9 8.410 8.278 0.132 2
1 14 . 1 1 A 9 9 GLY CA C 9 45.309 45.510 -0.201 2
1 15 . 1 1 A 9 9 GLY HA3 H 9 3.926 4.094 -0.168 2
1 16 . 1 1 A 9 9 GLY C C 9 174.030 174.613 -0.584 2
1 17 . 1 1 A 9 9 GLY HA2 H 9 3.926 4.092 -0.166 2
1 18 . 1 1 A 10 10 LYS N N 10 120.547 121.408 -0.861 2
1 19 . 1 1 A 10 10 LYS H H 10 8.067 8.447 -0.380 2
1 20 . 1 1 A 10 10 LYS CA C 10 56.267 57.934 -1.667 2
1 21 . 1 1 A 10 10 LYS HA H 10 4.277 4.188 0.089 2
1 22 . 1 1 A 10 10 LYS CB C 10 33.167 32.373 0.794 2
1 30 . 1 1 A 10 10 LYS C C 10 176.363 176.221 0.142 2
1 35 . 1 1 A 11 11 LYS N N 11 122.689 120.630 2.059 2
1 36 . 1 1 A 11 11 LYS H H 11 8.290 7.602 0.688 2
1 37 . 1 1 A 11 11 LYS CA C 11 56.098 56.234 -0.136 2
1 38 . 1 1 A 11 11 LYS HA H 11 4.180 4.311 -0.131 2
1 39 . 1 1 A 11 11 LYS CB C 11 32.953 33.816 -0.863 2
1 46 . 1 1 A 11 11 LYS C C 11 175.249 176.013 -0.764 2
1 51 . 1 1 A 12 12 LEU N N 12 121.792 122.060 -0.268 2
1 52 . 1 1 A 12 12 LEU H H 12 7.790 8.604 -0.814 2
1 53 . 1 1 A 12 12 LEU CA C 12 54.202 54.631 -0.429 2
1 54 . 1 1 A 12 12 LEU HA H 12 4.419 4.506 -0.088 2
1 55 . 1 1 A 12 12 LEU CB C 12 44.011 43.884 0.127 2
1 67 . 1 1 A 12 12 LEU C C 12 176.086 176.540 -0.454 2
1 69 . 1 1 A 13 13 PHE N N 13 121.077 117.944 3.133 2
1 70 . 1 1 A 13 13 PHE H H 13 8.628 7.718 0.910 2
1 71 . 1 1 A 13 13 PHE CA C 13 57.309 56.213 1.096 2
1 72 . 1 1 A 13 13 PHE HA H 13 4.578 5.355 -0.777 2
1 73 . 1 1 A 13 13 PHE CB C 13 40.107 42.992 -2.885 2
1 85 . 1 1 A 13 13 PHE C C 13 174.502 174.062 0.440 2
1 87 . 1 1 A 14 14 LYS N N 14 124.720 121.584 3.136 2
1 88 . 1 1 A 14 14 LYS H H 14 8.757 9.056 -0.299 2
1 89 . 1 1 A 14 14 LYS CA C 14 55.088 54.722 0.366 2
1 90 . 1 1 A 14 14 LYS HA H 14 4.866 5.111 -0.245 2
1 91 . 1 1 A 14 14 LYS CB C 14 35.570 36.261 -0.691 2
1 99 . 1 1 A 14 14 LYS C C 14 174.832 174.807 0.025 2
1 104 . 1 1 A 15 15 CYS N N 15 127.003 124.779 2.224 2
1 105 . 1 1 A 15 15 CYS H H 15 8.884 8.918 -0.034 2
1 106 . 1 1 A 15 15 CYS CA C 15 59.640 58.421 1.219 2
1 107 . 1 1 A 15 15 CYS HA H 15 4.497 4.760 -0.263 2
1 108 . 1 1 A 15 15 CYS CB C 15 29.562 28.776 0.786 2
1 110 . 1 1 A 15 15 CYS C C 15 176.310 175.796 0.514 2
1 112 . 1 1 A 16 16 ASN N N 16 128.404 126.387 2.017 2
1 113 . 1 1 A 16 16 ASN H H 16 9.250 9.078 0.172 2
1 114 . 1 1 A 16 16 ASN CA C 16 55.576 52.907 2.669 2
1 115 . 1 1 A 16 16 ASN HA H 16 4.554 4.896 -0.342 2
1 116 . 1 1 A 16 16 ASN CB C 16 38.591 37.937 0.654 2
1 121 . 1 1 A 16 16 ASN C C 16 175.713 175.855 -0.142 2
1 123 . 1 1 A 17 17 GLU N N 17 120.824 118.885 1.939 2
1 124 . 1 1 A 17 17 GLU H H 17 8.813 7.990 0.823 2
1 125 . 1 1 A 17 17 GLU CA C 17 58.125 56.961 1.164 2
1 126 . 1 1 A 17 17 GLU HA H 17 4.242 4.424 -0.182 2
1 127 . 1 1 A 17 17 GLU CB C 17 29.807 31.965 -2.158 2
1 131 . 1 1 A 17 17 GLU C C 17 176.504 177.631 -1.127 2
1 134 . 1 1 A 18 18 CYS N N 18 116.605 114.477 2.128 2
1 135 . 1 1 A 18 18 CYS H H 18 7.948 7.888 0.060 2
1 136 . 1 1 A 18 18 CYS CA C 18 58.408 58.063 0.345 2
1 137 . 1 1 A 18 18 CYS HA H 18 5.061 4.608 0.453 2
1 138 . 1 1 A 18 18 CYS CB C 18 31.357 28.913 2.444 2
1 140 . 1 1 A 18 18 CYS C C 18 175.034 174.646 0.388 2
1 142 . 1 1 A 19 19 LYS N N 19 115.996 115.972 0.024 2
1 143 . 1 1 A 19 19 LYS H H 19 8.013 7.700 0.313 2
1 144 . 1 1 A 19 19 LYS CA C 19 57.801 57.322 0.478 2
1 145 . 1 1 A 19 19 LYS HA H 19 4.131 3.943 0.188 2
1 146 . 1 1 A 19 19 LYS CB C 19 29.728 29.639 0.089 2
1 153 . 1 1 A 19 19 LYS C C 19 175.710 174.767 0.943 2
1 158 . 1 1 A 20 20 LYS N N 20 122.163 118.674 3.489 2
1 159 . 1 1 A 20 20 LYS H H 20 8.056 7.785 0.270 2
1 160 . 1 1 A 20 20 LYS CA C 20 58.153 54.834 3.319 2
1 161 . 1 1 A 20 20 LYS HA H 20 4.068 4.864 -0.796 2
1 162 . 1 1 A 20 20 LYS CB C 20 33.850 35.823 -1.973 2
1 170 . 1 1 A 20 20 LYS C C 20 175.054 175.129 -0.075 2
1 175 . 1 1 A 21 21 THR N N 21 111.093 114.446 -3.353 2
1 176 . 1 1 A 21 21 THR H H 21 7.640 8.619 -0.979 2
1 177 . 1 1 A 21 21 THR CA C 21 59.789 59.462 0.327 2
1 178 . 1 1 A 21 21 THR HA H 21 5.059 5.333 -0.274 2
1 179 . 1 1 A 21 21 THR CB C 21 71.613 72.214 -0.601 2
1 185 . 1 1 A 21 21 THR C C 21 173.193 172.981 0.212 2
1 186 . 1 1 A 22 22 PHE N N 22 117.679 118.655 -0.976 2
1 187 . 1 1 A 22 22 PHE H H 22 8.794 8.824 -0.030 2
1 188 . 1 1 A 22 22 PHE CA C 22 56.872 56.668 0.204 2
1 189 . 1 1 A 22 22 PHE HA H 22 4.857 4.945 -0.088 2
1 190 . 1 1 A 22 22 PHE CB C 22 43.851 42.700 1.151 2
1 202 . 1 1 A 22 22 PHE C C 22 175.647 175.923 -0.277 2
1 204 . 1 1 A 23 23 THR N N 23 111.367 117.837 -6.470 2
1 205 . 1 1 A 23 23 THR H H 23 8.994 8.709 0.285 2
1 206 . 1 1 A 23 23 THR CA C 23 62.862 65.279 -2.417 2
1 207 . 1 1 A 23 23 THR HA H 23 4.704 4.136 0.568 2
1 208 . 1 1 A 23 23 THR CB C 23 69.427 68.988 0.439 2
1 214 . 1 1 A 23 23 THR C C 23 174.807 174.555 0.252 2
1 215 . 1 1 A 24 24 GLN N N 24 116.885 119.500 -2.615 2
1 216 . 1 1 A 24 24 GLN H H 24 7.420 7.950 -0.530 2
1 217 . 1 1 A 24 24 GLN CA C 24 54.233 54.349 -0.116 2
1 218 . 1 1 A 24 24 GLN HA H 24 4.695 4.872 -0.177 2
1 219 . 1 1 A 24 24 GLN CB C 24 32.047 31.773 0.274 2
1 226 . 1 1 A 24 24 GLN C C 24 175.738 176.171 -0.433 2
1 229 . 1 1 A 25 25 SER CA C 25 60.953 61.418 -0.465 2
1 230 . 1 1 A 25 25 SER HA H 25 3.007 3.699 -0.692 2
1 231 . 1 1 A 25 25 SER CB C 25 61.858 62.347 -0.489 2
1 234 . 1 1 A 26 26 SER CA C 26 60.852 61.486 -0.634 2
1 235 . 1 1 A 26 26 SER HA H 26 4.030 4.082 -0.052 2
1 236 . 1 1 A 26 26 SER CB C 26 61.476 62.807 -1.331 2
1 238 . 1 1 A 26 26 SER C C 26 176.745 176.769 -0.024 2
1 240 . 1 1 A 27 27 SER N N 27 116.833 116.628 0.205 2
1 241 . 1 1 A 27 27 SER H H 27 6.854 8.040 -1.186 2
1 242 . 1 1 A 27 27 SER CA C 27 60.741 61.799 -1.058 2
1 243 . 1 1 A 27 27 SER HA H 27 4.159 4.012 0.147 2
1 244 . 1 1 A 27 27 SER CB C 27 62.443 62.897 -0.454 2
1 246 . 1 1 A 27 27 SER C C 27 176.287 176.155 0.132 2
1 248 . 1 1 A 28 28 LEU N N 28 123.878 122.572 1.306 2
1 249 . 1 1 A 28 28 LEU H H 28 6.955 7.697 -0.742 2
1 250 . 1 1 A 28 28 LEU CA C 28 57.843 57.749 0.094 2
1 251 . 1 1 A 28 28 LEU HA H 28 3.164 3.403 -0.239 2
1 252 . 1 1 A 28 28 LEU CB C 28 40.011 41.660 -1.649 2
1 264 . 1 1 A 28 28 LEU C C 28 177.222 178.521 -1.299 2
1 266 . 1 1 A 29 29 THR N N 29 116.142 114.241 1.901 2
1 267 . 1 1 A 29 29 THR H H 29 8.071 7.823 0.248 2
1 268 . 1 1 A 29 29 THR CA C 29 66.739 66.589 0.150 2
1 269 . 1 1 A 29 29 THR HA H 29 3.894 3.823 0.071 2
1 270 . 1 1 A 29 29 THR CB C 29 68.480 68.461 0.019 2
1 276 . 1 1 A 29 29 THR C C 29 176.872 176.388 0.484 2
1 277 . 1 1 A 30 30 VAL N N 30 119.927 120.328 -0.401 2
1 278 . 1 1 A 30 30 VAL H H 30 7.466 7.859 -0.393 2
1 279 . 1 1 A 30 30 VAL CA C 30 66.507 64.813 1.694 2
1 280 . 1 1 A 30 30 VAL HA H 30 3.515 3.745 -0.230 2
1 281 . 1 1 A 30 30 VAL CB C 30 32.190 31.324 0.866 2
1 291 . 1 1 A 30 30 VAL C C 30 178.591 177.261 1.330 2
1 292 . 1 1 A 31 31 HIS N N 31 120.154 120.881 -0.727 2
1 293 . 1 1 A 31 31 HIS H H 31 7.526 7.761 -0.235 2
1 294 . 1 1 A 31 31 HIS CA C 31 59.359 58.694 0.665 2
1 295 . 1 1 A 31 31 HIS HA H 31 4.162 4.138 0.024 2
1 296 . 1 1 A 31 31 HIS CB C 31 28.537 29.805 -1.268 2
1 302 . 1 1 A 31 31 HIS C C 31 176.216 176.997 -0.781 2
1 304 . 1 1 A 32 32 GLN N N 32 114.689 118.501 -3.812 2
1 305 . 1 1 A 32 32 GLN H H 32 8.372 8.448 -0.076 2
1 306 . 1 1 A 32 32 GLN CA C 32 59.351 58.758 0.593 2
1 307 . 1 1 A 32 32 GLN HA H 32 3.669 3.707 -0.038 2
1 308 . 1 1 A 32 32 GLN CB C 32 28.390 28.521 -0.131 2
1 315 . 1 1 A 32 32 GLN C C 32 177.432 178.159 -0.727 2
1 318 . 1 1 A 33 33 ARG N N 33 117.675 118.040 -0.365 2
1 319 . 1 1 A 33 33 ARG H H 33 7.199 7.657 -0.458 2
1 320 . 1 1 A 33 33 ARG CA C 33 58.529 58.662 -0.133 2
1 321 . 1 1 A 33 33 ARG HA H 33 4.128 4.152 -0.024 2
1 322 . 1 1 A 33 33 ARG CB C 33 30.081 29.793 0.288 2
1 328 . 1 1 A 33 33 ARG C C 33 178.711 178.346 0.365 2
1 332 . 1 1 A 34 34 ILE N N 34 116.218 120.354 -4.136 2
1 333 . 1 1 A 34 34 ILE H H 34 7.863 7.596 0.267 2
1 334 . 1 1 A 34 34 ILE CA C 34 63.114 64.940 -1.826 2
1 335 . 1 1 A 34 34 ILE HA H 34 3.948 3.594 0.354 2
1 336 . 1 1 A 34 34 ILE CB C 34 37.777 37.575 0.202 2
1 348 . 1 1 A 34 34 ILE C C 34 177.391 177.807 -0.416 2
1 350 . 1 1 A 35 35 HIS N N 35 117.652 118.753 -1.101 2
1 351 . 1 1 A 35 35 HIS H H 35 7.196 7.475 -0.279 2
1 352 . 1 1 A 35 35 HIS CA C 35 55.169 59.683 -4.514 2
1 353 . 1 1 A 35 35 HIS HA H 35 4.838 4.288 0.550 2
1 354 . 1 1 A 35 35 HIS CB C 35 28.595 30.374 -1.779 2
1 360 . 1 1 A 35 35 HIS C C 35 175.849 177.161 -1.312 2
1 362 . 1 1 A 36 36 THR N N 36 111.767 111.681 0.086 2
1 363 . 1 1 A 36 36 THR H H 36 7.785 7.857 -0.072 2
1 364 . 1 1 A 36 36 THR CA C 36 62.507 63.322 -0.815 2
1 365 . 1 1 A 36 36 THR HA H 36 4.335 4.197 0.138 2
1 366 . 1 1 A 36 36 THR CB C 36 69.809 68.868 0.941 2
1 372 . 1 1 A 36 36 THR C C 36 175.513 175.759 -0.246 2
1 373 . 1 1 A 37 37 GLY N N 37 110.668 109.225 1.443 2
1 374 . 1 1 A 37 37 GLY H H 37 8.239 7.849 0.390 2
1 375 . 1 1 A 37 37 GLY CA C 37 45.371 45.995 -0.624 2
1 376 . 1 1 A 37 37 GLY HA3 H 37 3.945 3.934 0.011 2
1 377 . 1 1 A 37 37 GLY C C 37 174.036 174.262 -0.226 2
1 378 . 1 1 A 37 37 GLY HA2 H 37 4.006 3.923 0.083 2
1 379 . 1 1 A 38 38 GLU N N 38 120.549 119.343 1.206 2
1 380 . 1 1 A 38 38 GLU H H 38 8.080 7.790 0.290 2
1 381 . 1 1 A 38 38 GLU CA C 38 56.482 55.728 0.754 2
1 382 . 1 1 A 38 38 GLU HA H 38 4.228 4.531 -0.303 2
1 383 . 1 1 A 38 38 GLU CB C 38 30.588 31.430 -0.842 2
1 387 . 1 1 A 38 38 GLU C C 38 176.186 176.171 0.015 2
1 390 . 1 1 A 39 39 LYS N N 39 123.911 121.658 2.253 2
1 391 . 1 1 A 39 39 LYS H H 39 8.412 8.497 -0.085 2
1 392 . 1 1 A 39 39 LYS CA C 39 54.143 55.030 -0.887 2
1 393 . 1 1 A 39 39 LYS HA H 39 4.596 4.394 0.202 2
1 394 . 1 1 A 39 39 LYS CB C 39 32.571 32.590 -0.019 2
1 402 . 1 1 A 39 39 LYS C C 39 174.511 175.345 -0.834 2
1 407 . 1 1 A 40 40 PRO CA C 40 63.232 62.852 0.380 2
1 408 . 1 1 A 40 40 PRO HA H 40 4.447 4.624 -0.177 2
1 409 . 1 1 A 40 40 PRO CB C 40 32.194 31.596 0.598 2
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