data_16034_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16034
_Entry.PDB_ID 2KAY
_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 31
_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 10 . 1 1 1 A 2 2 GLU H H 2 8.776 8.730 0.046 1
1 11 . 1 1 1 A 2 2 GLU HA H 2 4.535 5.103 -0.568 1
1 16 . 1 1 1 A 2 2 GLU C C 2 175.627 176.527 -0.900 1
1 17 . 1 1 1 A 2 2 GLU CA C 2 55.573 54.750 0.823 1
1 18 . 1 1 1 A 2 2 GLU CB C 2 30.569 33.986 -3.417 1
1 20 . 1 1 1 A 2 2 GLU N N 2 124.305 122.027 2.278 1
1 21 . 1 1 1 A 3 3 THR H H 3 8.835 8.922 -0.087 1
1 22 . 1 1 1 A 3 3 THR HA H 3 4.608 4.773 -0.165 1
1 27 . 1 1 1 A 3 3 THR CA C 3 59.187 60.413 -1.226 1
1 28 . 1 1 1 A 3 3 THR CB C 3 67.385 69.007 -1.622 1
1 30 . 1 1 1 A 3 3 THR N N 3 116.176 115.837 0.339 1
1 31 . 1 1 1 A 4 4 PRO HA H 4 4.158 4.412 -0.254 1
1 38 . 1 1 1 A 4 4 PRO C C 4 179.327 177.881 1.446 1
1 39 . 1 1 1 A 4 4 PRO CA C 4 65.040 64.887 0.153 1
1 40 . 1 1 1 A 4 4 PRO CB C 4 30.616 31.800 -1.184 1
1 43 . 1 1 1 A 5 5 LEU H H 5 8.794 7.314 1.480 1
1 44 . 1 1 1 A 5 5 LEU HA H 5 3.944 4.022 -0.078 1
1 54 . 1 1 1 A 5 5 LEU C C 5 177.327 178.089 -0.762 1
1 55 . 1 1 1 A 5 5 LEU CA C 5 56.920 57.221 -0.301 1
1 56 . 1 1 1 A 5 5 LEU CB C 5 41.139 42.078 -0.939 1
1 60 . 1 1 1 A 5 5 LEU N N 5 118.892 118.003 0.889 1
1 61 . 1 1 1 A 6 6 GLU H H 6 7.664 8.353 -0.689 1
1 62 . 1 1 1 A 6 6 GLU HA H 6 3.744 3.973 -0.229 1
1 67 . 1 1 1 A 6 6 GLU C C 6 178.827 179.579 -0.752 1
1 68 . 1 1 1 A 6 6 GLU CA C 6 59.347 59.612 -0.265 1
1 69 . 1 1 1 A 6 6 GLU CB C 6 28.700 29.248 -0.548 1
1 71 . 1 1 1 A 6 6 GLU N N 6 118.741 119.061 -0.320 1
1 72 . 1 1 1 A 7 7 LYS H H 7 8.435 8.150 0.285 1
1 73 . 1 1 1 A 7 7 LYS HA H 7 3.909 4.031 -0.122 1
1 82 . 1 1 1 A 7 7 LYS C C 7 178.527 178.895 -0.368 1
1 83 . 1 1 1 A 7 7 LYS CA C 7 58.539 59.349 -0.810 1
1 84 . 1 1 1 A 7 7 LYS CB C 7 31.217 32.221 -1.004 1
1 88 . 1 1 1 A 7 7 LYS N N 7 119.285 119.301 -0.016 1
1 89 . 1 1 1 A 8 8 ALA H H 8 8.008 8.014 -0.006 1
1 90 . 1 1 1 A 8 8 ALA HA H 8 4.038 4.028 0.010 1
1 94 . 1 1 1 A 8 8 ALA C C 8 178.327 179.955 -1.628 1
1 95 . 1 1 1 A 8 8 ALA CA C 8 54.356 55.174 -0.818 1
1 96 . 1 1 1 A 8 8 ALA CB C 8 17.509 18.720 -1.211 1
1 97 . 1 1 1 A 8 8 ALA N N 8 123.866 122.410 1.456 1
1 98 . 1 1 1 A 9 9 LEU H H 9 8.163 8.487 -0.324 1
1 99 . 1 1 1 A 9 9 LEU HA H 9 3.809 3.958 -0.149 1
1 109 . 1 1 1 A 9 9 LEU C C 9 178.527 179.412 -0.885 1
1 110 . 1 1 1 A 9 9 LEU CA C 9 57.256 58.004 -0.748 1
1 111 . 1 1 1 A 9 9 LEU CB C 9 40.483 41.566 -1.083 1
1 115 . 1 1 1 A 9 9 LEU N N 9 119.134 118.244 0.890 1
1 116 . 1 1 1 A 10 10 THR H H 10 8.186 8.314 -0.128 1
1 117 . 1 1 1 A 10 10 THR HA H 10 3.741 3.991 -0.250 1
1 122 . 1 1 1 A 10 10 THR C C 10 176.727 176.947 -0.220 1
1 123 . 1 1 1 A 10 10 THR CA C 10 66.345 66.609 -0.264 1
1 124 . 1 1 1 A 10 10 THR CB C 10 67.558 68.376 -0.818 1
1 126 . 1 1 1 A 10 10 THR N N 10 114.355 115.820 -1.465 1
1 127 . 1 1 1 A 11 11 THR H H 11 8.387 8.097 0.290 1
1 128 . 1 1 1 A 11 11 THR HA H 11 3.963 3.960 0.003 1
1 133 . 1 1 1 A 11 11 THR C C 11 176.827 176.905 -0.078 1
1 134 . 1 1 1 A 11 11 THR CA C 11 65.801 66.480 -0.679 1
1 135 . 1 1 1 A 11 11 THR CB C 11 67.140 68.405 -1.265 1
1 137 . 1 1 1 A 11 11 THR N N 11 120.801 117.449 3.352 1
1 138 . 1 1 1 A 12 12 MET H H 12 8.299 8.315 -0.016 1
1 139 . 1 1 1 A 12 12 MET HA H 12 3.872 4.298 -0.426 1
1 147 . 1 1 1 A 12 12 MET C C 12 177.827 178.913 -1.086 1
1 148 . 1 1 1 A 12 12 MET CA C 12 59.263 58.032 1.231 1
1 149 . 1 1 1 A 12 12 MET CB C 12 31.845 32.834 -0.989 1
1 152 . 1 1 1 A 12 12 MET N N 12 124.102 118.567 5.535 1
1 153 . 1 1 1 A 13 13 VAL H H 13 7.820 8.637 -0.817 1
1 154 . 1 1 1 A 13 13 VAL HA H 13 3.937 4.077 -0.140 1
1 162 . 1 1 1 A 13 13 VAL C C 13 177.127 178.861 -1.734 1
1 163 . 1 1 1 A 13 13 VAL CA C 13 65.677 66.211 -0.534 1
1 164 . 1 1 1 A 13 13 VAL CB C 13 31.656 31.721 -0.065 1
1 167 . 1 1 1 A 13 13 VAL N N 13 119.838 119.694 0.144 1
1 168 . 1 1 1 A 14 14 THR H H 14 9.107 8.339 0.768 1
1 169 . 1 1 1 A 14 14 THR HA H 14 3.654 4.063 -0.409 1
1 174 . 1 1 1 A 14 14 THR C C 14 177.527 176.967 0.560 1
1 175 . 1 1 1 A 14 14 THR CA C 14 65.273 66.422 -1.149 1
1 176 . 1 1 1 A 14 14 THR CB C 14 67.652 68.900 -1.248 1
1 178 . 1 1 1 A 14 14 THR N N 14 112.247 117.126 -4.879 1
1 179 . 1 1 1 A 15 15 THR H H 15 8.189 8.374 -0.185 1
1 180 . 1 1 1 A 15 15 THR HA H 15 3.864 4.281 -0.417 1
1 186 . 1 1 1 A 15 15 THR C C 15 173.627 176.816 -3.189 1
1 187 . 1 1 1 A 15 15 THR CA C 15 66.930 65.673 1.257 1
1 188 . 1 1 1 A 15 15 THR CB C 15 66.539 68.249 -1.710 1
1 190 . 1 1 1 A 15 15 THR N N 15 117.691 111.541 6.150 1
1 191 . 1 1 1 A 16 16 PHE H H 16 6.850 8.080 -1.230 1
1 192 . 1 1 1 A 16 16 PHE HA H 16 3.417 4.015 -0.598 1
1 199 . 1 1 1 A 16 16 PHE C C 16 175.627 177.402 -1.775 1
1 200 . 1 1 1 A 16 16 PHE CA C 16 61.577 61.432 0.145 1
1 201 . 1 1 1 A 16 16 PHE CB C 16 38.177 39.146 -0.969 1
1 202 . 1 1 1 A 16 16 PHE N N 16 120.169 124.416 -4.247 1
1 203 . 1 1 1 A 17 17 HIS H H 17 6.924 8.524 -1.600 1
1 204 . 1 1 1 A 17 17 HIS HA H 17 4.755 4.016 0.739 1
1 207 . 1 1 1 A 17 17 HIS C C 17 176.227 176.589 -0.362 1
1 208 . 1 1 1 A 17 17 HIS CA C 17 56.810 60.159 -3.349 1
1 209 . 1 1 1 A 17 17 HIS CB C 17 29.597 29.480 0.117 1
1 210 . 1 1 1 A 17 17 HIS N N 17 115.499 118.274 -2.775 1
1 211 . 1 1 1 A 18 18 LYS H H 18 7.888 8.385 -0.497 1
1 212 . 1 1 1 A 18 18 LYS HA H 18 3.870 3.969 -0.099 1
1 221 . 1 1 1 A 18 18 LYS C C 18 176.927 178.390 -1.463 1
1 222 . 1 1 1 A 18 18 LYS CA C 18 57.897 59.479 -1.582 1
1 223 . 1 1 1 A 18 18 LYS CB C 18 31.582 32.507 -0.925 1
1 227 . 1 1 1 A 18 18 LYS N N 18 121.217 118.616 2.601 1
1 228 . 1 1 1 A 19 19 TYR H H 19 6.928 7.939 -1.011 1
1 229 . 1 1 1 A 19 19 TYR HA H 19 4.163 4.213 -0.050 1
1 234 . 1 1 1 A 19 19 TYR C C 19 175.027 177.766 -2.739 1
1 235 . 1 1 1 A 19 19 TYR CA C 19 59.335 60.757 -1.422 1
1 236 . 1 1 1 A 19 19 TYR CB C 19 39.515 37.828 1.687 1
1 237 . 1 1 1 A 19 19 TYR N N 19 114.488 118.836 -4.348 1
1 238 . 1 1 1 A 20 20 SER H H 20 8.021 8.258 -0.237 1
1 239 . 1 1 1 A 20 20 SER HA H 20 3.105 3.944 -0.839 1
1 242 . 1 1 1 A 20 20 SER C C 20 176.527 175.630 0.897 1
1 243 . 1 1 1 A 20 20 SER CA C 20 60.457 60.523 -0.066 1
1 244 . 1 1 1 A 20 20 SER CB C 20 60.326 62.347 -2.021 1
1 245 . 1 1 1 A 20 20 SER N N 20 112.624 115.980 -3.356 1
1 246 . 1 1 1 A 21 21 GLY H H 21 7.908 7.675 0.233 1
1 247 . 1 1 1 A 21 21 GLY HA2 H 21 4.197 3.881 0.316 1
1 248 . 1 1 1 A 21 21 GLY HA3 H 21 3.761 3.916 -0.155 1
1 249 . 1 1 1 A 21 21 GLY C C 21 173.027 174.852 -1.825 1
1 250 . 1 1 1 A 21 21 GLY CA C 21 44.357 45.617 -1.260 1
1 251 . 1 1 1 A 21 21 GLY N N 21 112.095 107.134 4.961 1
1 252 . 1 1 1 A 22 22 ARG H H 22 7.470 7.637 -0.167 1
1 253 . 1 1 1 A 22 22 ARG HA H 22 3.956 4.161 -0.205 1
1 260 . 1 1 1 A 22 22 ARG C C 22 176.327 175.870 0.457 1
1 261 . 1 1 1 A 22 22 ARG CA C 22 58.189 57.600 0.589 1
1 262 . 1 1 1 A 22 22 ARG CB C 22 29.483 30.784 -1.301 1
1 265 . 1 1 1 A 22 22 ARG N N 22 122.481 119.730 2.751 1
1 266 . 1 1 1 A 23 23 GLU H H 23 9.412 7.877 1.535 1
1 267 . 1 1 1 A 23 23 GLU HA H 23 4.626 4.619 0.007 1
1 272 . 1 1 1 A 23 23 GLU C C 23 175.027 175.493 -0.466 1
1 273 . 1 1 1 A 23 23 GLU CA C 23 53.319 55.859 -2.540 1
1 274 . 1 1 1 A 23 23 GLU CB C 23 32.032 32.918 -0.886 1
1 276 . 1 1 1 A 23 23 GLU N N 23 116.123 116.780 -0.657 1
1 277 . 1 1 1 A 24 24 GLY H H 24 9.080 8.571 0.509 1
1 278 . 1 1 1 A 24 24 GLY HA2 H 24 3.694 3.853 -0.159 1
1 279 . 1 1 1 A 24 24 GLY HA3 H 24 3.878 3.868 0.010 1
1 280 . 1 1 1 A 24 24 GLY C C 24 172.827 173.954 -1.127 1
1 281 . 1 1 1 A 24 24 GLY CA C 24 44.707 46.584 -1.877 1
1 282 . 1 1 1 A 24 24 GLY N N 24 114.015 111.244 2.771 1
1 283 . 1 1 1 A 25 25 SER H H 25 8.465 8.494 -0.029 1
1 284 . 1 1 1 A 25 25 SER HA H 25 4.312 4.519 -0.207 1
1 287 . 1 1 1 A 25 25 SER C C 25 178.027 175.285 2.742 1
1 288 . 1 1 1 A 25 25 SER CA C 25 57.478 57.829 -0.351 1
1 289 . 1 1 1 A 25 25 SER CB C 25 61.941 63.763 -1.822 1
1 290 . 1 1 1 A 25 25 SER N N 25 117.299 119.948 -2.649 1
1 291 . 1 1 1 A 26 26 LYS H H 26 9.532 8.780 0.752 1
1 292 . 1 1 1 A 26 26 LYS HA H 26 4.660 4.129 0.531 1
1 301 . 1 1 1 A 26 26 LYS C C 26 176.127 177.856 -1.729 1
1 302 . 1 1 1 A 26 26 LYS CA C 26 56.928 58.138 -1.210 1
1 303 . 1 1 1 A 26 26 LYS CB C 26 30.526 32.529 -2.003 1
1 307 . 1 1 1 A 26 26 LYS N N 26 131.209 126.930 4.279 1
1 308 . 1 1 1 A 27 27 LEU H H 27 8.643 7.608 1.035 1
1 309 . 1 1 1 A 27 27 LEU HA H 27 4.583 4.217 0.366 1
1 319 . 1 1 1 A 27 27 LEU C C 27 174.827 176.760 -1.933 1
1 320 . 1 1 1 A 27 27 LEU CA C 27 53.205 54.382 -1.177 1
1 321 . 1 1 1 A 27 27 LEU CB C 27 41.824 42.253 -0.429 1
1 325 . 1 1 1 A 27 27 LEU N N 27 118.729 118.595 0.134 1
1 326 . 1 1 1 A 28 28 THR H H 28 7.037 7.203 -0.166 1
1 327 . 1 1 1 A 28 28 THR HA H 28 5.168 5.108 0.060 1
1 332 . 1 1 1 A 28 28 THR C C 28 172.727 173.248 -0.521 1
1 333 . 1 1 1 A 28 28 THR CA C 28 57.915 59.374 -1.459 1
1 334 . 1 1 1 A 28 28 THR CB C 28 71.934 71.125 0.809 1
1 336 . 1 1 1 A 28 28 THR N N 28 104.663 109.395 -4.732 1
1 337 . 1 1 1 A 29 29 LEU H H 29 9.517 8.893 0.624 1
1 338 . 1 1 1 A 29 29 LEU HA H 29 5.196 4.788 0.408 1
1 348 . 1 1 1 A 29 29 LEU C C 29 175.527 176.685 -1.158 1
1 349 . 1 1 1 A 29 29 LEU CA C 29 51.653 53.525 -1.872 1
1 350 . 1 1 1 A 29 29 LEU CB C 29 42.301 42.161 0.140 1
1 354 . 1 1 1 A 29 29 LEU N N 29 125.388 125.613 -0.225 1
1 355 . 1 1 1 A 30 30 SER H H 30 10.053 9.086 0.967 1
1 356 . 1 1 1 A 30 30 SER HA H 30 4.475 4.759 -0.284 1
1 359 . 1 1 1 A 30 30 SER C C 30 173.427 175.299 -1.872 1
1 360 . 1 1 1 A 30 30 SER CA C 30 55.011 57.658 -2.647 1
1 361 . 1 1 1 A 30 30 SER CB C 30 64.446 65.001 -0.555 1
1 362 . 1 1 1 A 30 30 SER N N 30 121.114 120.929 0.185 1
1 363 . 1 1 1 A 31 31 ARG H H 31 8.992 9.113 -0.121 1
1 364 . 1 1 1 A 31 31 ARG HA H 31 3.923 4.010 -0.087 1
1 371 . 1 1 1 A 31 31 ARG C C 31 177.027 177.974 -0.947 1
1 372 . 1 1 1 A 31 31 ARG CA C 31 59.408 59.389 0.019 1
1 373 . 1 1 1 A 31 31 ARG CB C 31 29.041 29.827 -0.786 1
1 376 . 1 1 1 A 31 31 ARG N N 31 120.513 122.644 -2.131 1
1 377 . 1 1 1 A 32 32 LYS H H 32 7.845 7.647 0.198 1
1 378 . 1 1 1 A 32 32 LYS HA H 32 3.826 4.086 -0.260 1
1 387 . 1 1 1 A 32 32 LYS C C 32 178.927 179.008 -0.081 1
1 388 . 1 1 1 A 32 32 LYS CA C 32 58.677 59.215 -0.538 1
1 389 . 1 1 1 A 32 32 LYS CB C 32 31.964 32.469 -0.505 1
1 393 . 1 1 1 A 32 32 LYS N N 32 117.011 119.339 -2.328 1
1 394 . 1 1 1 A 33 33 GLU H H 33 7.612 7.871 -0.259 1
1 395 . 1 1 1 A 33 33 GLU HA H 33 3.954 4.027 -0.073 1
1 400 . 1 1 1 A 33 33 GLU C C 33 177.227 179.175 -1.948 1
1 401 . 1 1 1 A 33 33 GLU CA C 33 58.289 58.926 -0.637 1
1 402 . 1 1 1 A 33 33 GLU CB C 33 29.757 29.448 0.309 1
1 404 . 1 1 1 A 33 33 GLU N N 33 120.815 120.548 0.267 1
1 405 . 1 1 1 A 34 34 LEU H H 34 8.694 8.587 0.107 1
1 406 . 1 1 1 A 34 34 LEU HA H 34 3.811 3.972 -0.161 1
1 416 . 1 1 1 A 34 34 LEU C C 34 176.927 178.159 -1.232 1
1 417 . 1 1 1 A 34 34 LEU CA C 34 57.025 57.920 -0.895 1
1 418 . 1 1 1 A 34 34 LEU CB C 34 40.638 41.557 -0.919 1
1 422 . 1 1 1 A 34 34 LEU N N 34 119.291 121.226 -1.935 1
1 423 . 1 1 1 A 35 35 LYS H H 35 8.114 7.886 0.228 1
1 424 . 1 1 1 A 35 35 LYS HA H 35 3.569 3.928 -0.359 1
1 433 . 1 1 1 A 35 35 LYS C C 35 177.027 178.492 -1.465 1
1 434 . 1 1 1 A 35 35 LYS CA C 35 59.419 59.867 -0.448 1
1 435 . 1 1 1 A 35 35 LYS CB C 35 31.271 32.372 -1.101 1
1 439 . 1 1 1 A 35 35 LYS N N 35 117.277 118.806 -1.529 1
1 440 . 1 1 1 A 36 36 GLU H H 36 7.560 8.426 -0.866 1
1 441 . 1 1 1 A 36 36 GLU HA H 36 3.845 4.071 -0.226 1
1 446 . 1 1 1 A 36 36 GLU C C 36 175.827 178.673 -2.846 1
1 447 . 1 1 1 A 36 36 GLU CA C 36 58.190 59.438 -1.248 1
1 448 . 1 1 1 A 36 36 GLU CB C 36 28.253 29.679 -1.426 1
1 450 . 1 1 1 A 36 36 GLU N N 36 119.302 119.379 -0.077 1
1 451 . 1 1 1 A 37 37 LEU H H 37 7.682 8.374 -0.692 1
1 452 . 1 1 1 A 37 37 LEU HA H 37 2.280 3.691 -1.411 1
1 462 . 1 1 1 A 37 37 LEU C C 37 178.327 178.466 -0.139 1
1 463 . 1 1 1 A 37 37 LEU CA C 37 58.225 58.237 -0.012 1
1 464 . 1 1 1 A 37 37 LEU CB C 37 41.090 41.566 -0.476 1
1 468 . 1 1 1 A 37 37 LEU N N 37 121.690 120.728 0.962 1
1 469 . 1 1 1 A 38 38 ILE H H 38 8.157 8.478 -0.321 1
1 470 . 1 1 1 A 38 38 ILE HA H 38 3.292 3.657 -0.365 1
1 480 . 1 1 1 A 38 38 ILE C C 38 177.027 178.307 -1.280 1
1 481 . 1 1 1 A 38 38 ILE CA C 38 65.007 65.554 -0.547 1
1 482 . 1 1 1 A 38 38 ILE CB C 38 37.187 37.722 -0.535 1
1 486 . 1 1 1 A 38 38 ILE N N 38 117.626 120.357 -2.731 1
1 487 . 1 1 1 A 39 39 LYS H H 39 8.068 7.814 0.254 1
1 488 . 1 1 1 A 39 39 LYS HA H 39 3.876 4.220 -0.344 1
1 497 . 1 1 1 A 39 39 LYS C C 39 177.927 177.486 0.441 1
1 498 . 1 1 1 A 39 39 LYS CA C 39 58.204 58.718 -0.514 1
1 499 . 1 1 1 A 39 39 LYS CB C 39 31.731 32.397 -0.666 1
1 503 . 1 1 1 A 39 39 LYS N N 39 117.909 119.176 -1.267 1
1 504 . 1 1 1 A 40 40 LYS H H 40 8.094 7.975 0.119 1
1 505 . 1 1 1 A 40 40 LYS HA H 40 4.248 4.426 -0.178 1
1 514 . 1 1 1 A 40 40 LYS C C 40 178.227 178.624 -0.397 1
1 515 . 1 1 1 A 40 40 LYS CA C 40 56.291 57.299 -1.008 1
1 516 . 1 1 1 A 40 40 LYS CB C 40 32.652 33.405 -0.753 1
1 520 . 1 1 1 A 40 40 LYS N N 40 114.323 117.869 -3.546 1
1 521 . 1 1 1 A 41 41 GLU H H 41 8.381 8.259 0.122 1
1 522 . 1 1 1 A 41 41 GLU HA H 41 4.744 4.136 0.608 1
1 527 . 1 1 1 A 41 41 GLU C C 41 176.227 176.378 -0.151 1
1 528 . 1 1 1 A 41 41 GLU CA C 41 55.054 58.601 -3.547 1
1 529 . 1 1 1 A 41 41 GLU CB C 41 29.598 30.360 -0.762 1
1 531 . 1 1 1 A 41 41 GLU N N 41 113.079 118.827 -5.748 1
1 532 . 1 1 1 A 42 42 LEU H H 42 7.544 8.175 -0.631 1
1 533 . 1 1 1 A 42 42 LEU HA H 42 4.754 4.555 0.199 1
1 542 . 1 1 1 A 42 42 LEU CA C 42 52.564 54.116 -1.552 1
1 543 . 1 1 1 A 42 42 LEU CB C 42 43.848 42.530 1.318 1
1 546 . 1 1 1 A 42 42 LEU N N 42 118.458 118.675 -0.217 1
1 547 . 1 1 1 A 43 43 CYS H H 43 8.342 8.956 -0.614 1
1 548 . 1 1 1 A 43 43 CYS HA H 43 4.486 4.475 0.011 1
1 551 . 1 1 1 A 43 43 CYS C C 43 174.327 175.740 -1.413 1
1 552 . 1 1 1 A 43 43 CYS CA C 43 57.655 59.805 -2.150 1
1 553 . 1 1 1 A 43 43 CYS CB C 43 25.653 27.709 -2.056 1
1 554 . 1 1 1 A 44 44 LEU H H 44 8.123 7.754 0.369 1
1 555 . 1 1 1 A 44 44 LEU HA H 44 4.339 4.285 0.054 1
1 565 . 1 1 1 A 44 44 LEU C C 44 176.927 178.027 -1.100 1
1 566 . 1 1 1 A 44 44 LEU CA C 44 53.750 54.373 -0.623 1
1 567 . 1 1 1 A 44 44 LEU CB C 44 40.784 41.117 -0.333 1
1 571 . 1 1 1 A 44 44 LEU N N 44 121.974 116.731 5.243 1
1 572 . 1 1 1 A 45 45 GLY H H 45 8.072 8.196 -0.124 1
1 573 . 1 1 1 A 45 45 GLY HA2 H 45 3.889 3.914 -0.025 1
1 574 . 1 1 1 A 45 45 GLY HA3 H 45 3.698 3.984 -0.286 1
1 575 . 1 1 1 A 45 45 GLY C C 45 173.127 175.546 -2.419 1
1 576 . 1 1 1 A 45 45 GLY CA C 45 44.291 45.623 -1.332 1
1 577 . 1 1 1 A 45 45 GLY N N 45 107.819 108.891 -1.072 1
1 578 . 1 1 1 A 46 46 GLU H H 46 8.472 8.490 -0.018 1
1 579 . 1 1 1 A 46 46 GLU HA H 46 4.048 4.442 -0.394 1
1 584 . 1 1 1 A 46 46 GLU C C 46 175.727 176.713 -0.986 1
1 585 . 1 1 1 A 46 46 GLU CA C 46 56.461 56.540 -0.079 1
1 586 . 1 1 1 A 46 46 GLU CB C 46 28.208 30.168 -1.960 1
1 588 . 1 1 1 A 46 46 GLU N N 46 120.563 119.366 1.197 1
1 589 . 1 1 1 A 47 47 MET H H 47 8.189 8.141 0.048 1
1 590 . 1 1 1 A 47 47 MET HA H 47 4.413 4.641 -0.228 1
1 598 . 1 1 1 A 47 47 MET C C 47 175.027 175.090 -0.063 1
1 599 . 1 1 1 A 47 47 MET CA C 47 53.905 54.564 -0.659 1
1 600 . 1 1 1 A 47 47 MET CB C 47 32.611 30.539 2.072 1
1 603 . 1 1 1 A 47 47 MET N N 47 123.201 120.505 2.696 1
1 604 . 1 1 1 A 48 48 LYS H H 48 8.355 8.039 0.316 1
1 605 . 1 1 1 A 48 48 LYS HA H 48 4.237 4.639 -0.402 1
1 614 . 1 1 1 A 48 48 LYS C C 48 177.027 178.157 -1.130 1
1 615 . 1 1 1 A 48 48 LYS CA C 48 55.443 54.728 0.715 1
1 616 . 1 1 1 A 48 48 LYS CB C 48 32.173 34.132 -1.959 1
1 620 . 1 1 1 A 48 48 LYS N N 48 123.046 120.876 2.170 1
1 621 . 1 1 1 A 49 49 GLU H H 49 8.742 8.927 -0.185 1
1 622 . 1 1 1 A 49 49 GLU HA H 49 3.884 3.979 -0.095 1
1 627 . 1 1 1 A 49 49 GLU C C 49 177.727 178.849 -1.122 1
1 628 . 1 1 1 A 49 49 GLU CA C 49 58.534 59.791 -1.257 1
1 629 . 1 1 1 A 49 49 GLU CB C 49 27.870 29.375 -1.505 1
1 631 . 1 1 1 A 49 49 GLU N N 49 122.407 122.596 -0.189 1
1 632 . 1 1 1 A 50 50 SER H H 50 8.324 7.907 0.417 1
1 633 . 1 1 1 A 50 50 SER HA H 50 4.188 4.178 0.010 1
1 636 . 1 1 1 A 50 50 SER C C 50 175.427 177.314 -1.887 1
1 637 . 1 1 1 A 50 50 SER CA C 50 59.402 61.119 -1.717 1
1 638 . 1 1 1 A 50 50 SER CB C 50 61.442 63.025 -1.583 1
1 639 . 1 1 1 A 50 50 SER N N 50 112.475 115.982 -3.507 1
1 640 . 1 1 1 A 51 51 SER H H 51 7.400 8.059 -0.659 1
1 641 . 1 1 1 A 51 51 SER HA H 51 3.926 4.127 -0.201 1
1 644 . 1 1 1 A 51 51 SER C C 51 176.027 176.124 -0.097 1
1 645 . 1 1 1 A 51 51 SER CA C 51 59.762 62.423 -2.661 1
1 646 . 1 1 1 A 51 51 SER CB C 51 60.955 62.888 -1.933 1
1 647 . 1 1 1 A 51 51 SER N N 51 118.432 116.812 1.620 1
1 648 . 1 1 1 A 52 52 ILE H H 52 7.790 7.698 0.092 1
1 649 . 1 1 1 A 52 52 ILE HA H 52 3.642 3.856 -0.214 1
1 659 . 1 1 1 A 52 52 ILE C C 52 176.427 177.937 -1.510 1
1 660 . 1 1 1 A 52 52 ILE CA C 52 61.984 64.306 -2.322 1
1 661 . 1 1 1 A 52 52 ILE CB C 52 34.990 37.541 -2.551 1
1 665 . 1 1 1 A 52 52 ILE N N 52 123.838 121.373 2.465 1
1 666 . 1 1 1 A 53 53 ASP H H 53 8.092 8.204 -0.112 1
1 667 . 1 1 1 A 53 53 ASP HA H 53 4.225 4.387 -0.162 1
1 670 . 1 1 1 A 53 53 ASP C C 53 178.227 178.300 -0.073 1
1 671 . 1 1 1 A 53 53 ASP CA C 53 56.606 56.971 -0.365 1
1 672 . 1 1 1 A 53 53 ASP CB C 53 39.034 40.412 -1.378 1
1 673 . 1 1 1 A 53 53 ASP N N 53 121.313 120.245 1.068 1
1 674 . 1 1 1 A 54 54 ASP H H 54 7.811 7.858 -0.047 1
1 675 . 1 1 1 A 54 54 ASP HA H 54 4.253 4.404 -0.151 1
1 678 . 1 1 1 A 54 54 ASP C C 54 177.927 178.256 -0.329 1
1 679 . 1 1 1 A 54 54 ASP CA C 54 56.467 56.849 -0.382 1
1 680 . 1 1 1 A 54 54 ASP CB C 54 39.401 40.744 -1.343 1
1 681 . 1 1 1 A 54 54 ASP N N 54 120.122 119.426 0.696 1
1 682 . 1 1 1 A 55 55 LEU H H 55 7.789 7.942 -0.153 1
1 683 . 1 1 1 A 55 55 LEU HA H 55 3.979 4.063 -0.084 1
1 693 . 1 1 1 A 55 55 LEU C C 55 178.027 178.449 -0.422 1
1 694 . 1 1 1 A 55 55 LEU CA C 55 56.713 58.356 -1.643 1
1 695 . 1 1 1 A 55 55 LEU CB C 55 40.799 41.593 -0.794 1
1 699 . 1 1 1 A 55 55 LEU N N 55 122.944 120.677 2.267 1
1 700 . 1 1 1 A 56 56 MET H H 56 8.601 8.705 -0.104 1
1 701 . 1 1 1 A 56 56 MET HA H 56 3.827 3.985 -0.158 1
1 709 . 1 1 1 A 56 56 MET C C 56 177.027 178.176 -1.149 1
1 710 . 1 1 1 A 56 56 MET CA C 56 57.116 58.752 -1.636 1
1 711 . 1 1 1 A 56 56 MET CB C 56 29.825 31.882 -2.057 1
1 714 . 1 1 1 A 56 56 MET N N 56 117.863 118.956 -1.093 1
1 715 . 1 1 1 A 57 57 LYS H H 57 7.693 7.894 -0.201 1
1 716 . 1 1 1 A 57 57 LYS HA H 57 3.954 4.064 -0.110 1
1 725 . 1 1 1 A 57 57 LYS C C 57 178.127 178.170 -0.043 1
1 726 . 1 1 1 A 57 57 LYS CA C 57 58.352 58.872 -0.520 1
1 727 . 1 1 1 A 57 57 LYS CB C 57 31.315 31.912 -0.597 1
1 731 . 1 1 1 A 57 57 LYS N N 57 116.455 120.243 -3.788 1
1 732 . 1 1 1 A 58 58 SER H H 58 7.661 8.021 -0.360 1
1 733 . 1 1 1 A 58 58 SER HA H 58 4.115 4.448 -0.333 1
1 736 . 1 1 1 A 58 58 SER C C 58 174.827 176.711 -1.884 1
1 737 . 1 1 1 A 58 58 SER CA C 58 59.986 60.348 -0.362 1
1 738 . 1 1 1 A 58 58 SER CB C 58 62.464 63.574 -1.110 1
1 739 . 1 1 1 A 58 58 SER N N 58 113.020 113.869 -0.849 1
1 740 . 1 1 1 A 59 59 LEU H H 59 7.917 7.824 0.093 1
1 741 . 1 1 1 A 59 59 LEU HA H 59 4.269 4.230 0.039 1
1 751 . 1 1 1 A 59 59 LEU C C 59 177.627 177.213 0.414 1
1 752 . 1 1 1 A 59 59 LEU CA C 59 54.402 57.428 -3.026 1
1 753 . 1 1 1 A 59 59 LEU CB C 59 43.731 42.047 1.684 1
1 757 . 1 1 1 A 59 59 LEU N N 59 117.463 119.720 -2.257 1
1 758 . 1 1 1 A 60 60 ASP H H 60 8.025 7.991 0.034 1
1 759 . 1 1 1 A 60 60 ASP HA H 60 4.566 4.572 -0.006 1
1 762 . 1 1 1 A 60 60 ASP C C 60 176.627 176.385 0.242 1
1 763 . 1 1 1 A 60 60 ASP CA C 60 52.335 54.641 -2.306 1
1 764 . 1 1 1 A 60 60 ASP CB C 60 38.139 42.012 -3.873 1
1 765 . 1 1 1 A 60 60 ASP N N 60 117.588 118.455 -0.867 1
1 766 . 1 1 1 A 61 61 LYS H H 61 8.100 9.379 -1.279 1
1 767 . 1 1 1 A 61 61 LYS HA H 61 4.035 4.507 -0.472 1
1 776 . 1 1 1 A 61 61 LYS C C 61 176.727 177.524 -0.797 1
1 777 . 1 1 1 A 61 61 LYS CA C 61 56.887 56.551 0.336 1
1 778 . 1 1 1 A 61 61 LYS CB C 61 31.653 33.228 -1.575 1
1 782 . 1 1 1 A 61 61 LYS N N 61 126.943 124.925 2.018 1
1 783 . 1 1 1 A 62 62 ASN H H 62 7.864 7.425 0.439 1
1 784 . 1 1 1 A 62 62 ASN HA H 62 4.759 4.843 -0.084 1
1 789 . 1 1 1 A 62 62 ASN C C 62 173.727 175.855 -2.128 1
1 790 . 1 1 1 A 62 62 ASN CA C 62 50.660 52.212 -1.552 1
1 791 . 1 1 1 A 62 62 ASN CB C 62 35.920 40.360 -4.440 1
1 792 . 1 1 1 A 62 62 ASN N N 62 113.588 113.762 -0.174 1
1 794 . 1 1 1 A 63 63 SER H H 63 7.613 8.574 -0.961 1
1 795 . 1 1 1 A 63 63 SER HA H 63 3.962 4.149 -0.187 1
1 798 . 1 1 1 A 63 63 SER C C 63 172.927 174.771 -1.844 1
1 799 . 1 1 1 A 63 63 SER CA C 63 58.262 59.422 -1.160 1
1 800 . 1 1 1 A 63 63 SER CB C 63 60.708 63.027 -2.319 1
1 801 . 1 1 1 A 63 63 SER N N 63 111.592 114.679 -3.087 1
1 802 . 1 1 1 A 64 64 ASP H H 64 8.217 8.025 0.192 1
1 803 . 1 1 1 A 64 64 ASP HA H 64 4.653 4.456 0.197 1
1 806 . 1 1 1 A 64 64 ASP C C 64 175.927 176.565 -0.638 1
1 807 . 1 1 1 A 64 64 ASP CA C 64 51.641 55.685 -4.044 1
1 808 . 1 1 1 A 64 64 ASP CB C 64 39.385 41.500 -2.115 1
1 809 . 1 1 1 A 64 64 ASP N N 64 118.913 120.944 -2.031 1
1 810 . 1 1 1 A 65 65 GLN H H 65 10.239 7.796 2.443 1
1 811 . 1 1 1 A 65 65 GLN HA H 65 3.356 3.919 -0.563 1
1 818 . 1 1 1 A 65 65 GLN C C 65 172.627 174.196 -1.569 1
1 819 . 1 1 1 A 65 65 GLN CA C 65 56.325 57.085 -0.760 1
1 820 . 1 1 1 A 65 65 GLN CB C 65 24.910 26.078 -1.168 1
1 822 . 1 1 1 A 65 65 GLN N N 65 114.908 114.733 0.175 1
1 824 . 1 1 1 A 66 66 GLU H H 66 7.710 7.899 -0.189 1
1 825 . 1 1 1 A 66 66 GLU HA H 66 4.691 4.756 -0.065 1
1 830 . 1 1 1 A 66 66 GLU C C 66 174.127 175.133 -1.006 1
1 831 . 1 1 1 A 66 66 GLU CA C 66 52.987 55.083 -2.096 1
1 832 . 1 1 1 A 66 66 GLU CB C 66 32.433 31.999 0.434 1
1 834 . 1 1 1 A 66 66 GLU N N 66 115.721 117.856 -2.135 1
1 835 . 1 1 1 A 67 67 ILE H H 67 9.938 9.368 0.570 1
1 836 . 1 1 1 A 67 67 ILE HA H 67 5.291 4.756 0.535 1
1 846 . 1 1 1 A 67 67 ILE C C 67 175.627 175.397 0.230 1
1 847 . 1 1 1 A 67 67 ILE CA C 67 56.241 60.661 -4.420 1
1 848 . 1 1 1 A 67 67 ILE CB C 67 35.492 37.935 -2.443 1
1 852 . 1 1 1 A 67 67 ILE N N 67 125.901 126.492 -0.591 1
1 853 . 1 1 1 A 68 68 ASP H H 68 8.794 9.114 -0.320 1
1 854 . 1 1 1 A 68 68 ASP HA H 68 5.002 4.768 0.234 1
1 857 . 1 1 1 A 68 68 ASP C C 68 174.427 177.442 -3.015 1
1 858 . 1 1 1 A 68 68 ASP CA C 68 51.563 54.348 -2.785 1
1 859 . 1 1 1 A 68 68 ASP CB C 68 40.493 42.537 -2.044 1
1 860 . 1 1 1 A 68 68 ASP N N 68 127.844 128.292 -0.448 1
1 861 . 1 1 1 A 69 69 PHE H H 69 9.068 9.288 -0.220 1
1 862 . 1 1 1 A 69 69 PHE HA H 69 3.130 3.965 -0.835 1
1 869 . 1 1 1 A 69 69 PHE C C 69 176.827 177.560 -0.733 1
1 870 . 1 1 1 A 69 69 PHE CA C 69 62.478 62.048 0.430 1
1 871 . 1 1 1 A 69 69 PHE CB C 69 38.096 39.409 -1.313 1
1 872 . 1 1 1 A 69 69 PHE N N 69 118.955 127.350 -8.395 1
1 873 . 1 1 1 A 70 70 LYS H H 70 8.123 8.319 -0.196 1
1 874 . 1 1 1 A 70 70 LYS HA H 70 3.871 4.270 -0.399 1
1 883 . 1 1 1 A 70 70 LYS C C 70 179.527 179.374 0.153 1
1 884 . 1 1 1 A 70 70 LYS CA C 70 59.457 58.657 0.800 1
1 885 . 1 1 1 A 70 70 LYS CB C 70 30.772 32.435 -1.663 1
1 889 . 1 1 1 A 70 70 LYS N N 70 120.287 118.812 1.475 1
1 890 . 1 1 1 A 71 71 GLU H H 71 8.746 8.014 0.732 1
1 891 . 1 1 1 A 71 71 GLU HA H 71 4.099 4.068 0.031 1
1 896 . 1 1 1 A 71 71 GLU C C 71 179.127 178.858 0.269 1
1 897 . 1 1 1 A 71 71 GLU CA C 71 57.934 59.164 -1.230 1
1 898 . 1 1 1 A 71 71 GLU CB C 71 29.266 29.425 -0.159 1
1 900 . 1 1 1 A 71 71 GLU N N 71 122.207 120.145 2.062 1
1 901 . 1 1 1 A 72 72 TYR H H 72 8.879 8.668 0.211 1
1 902 . 1 1 1 A 72 72 TYR HA H 72 4.010 4.222 -0.212 1
1 909 . 1 1 1 A 72 72 TYR C C 72 175.927 178.121 -2.194 1
1 910 . 1 1 1 A 72 72 TYR CA C 72 58.551 61.775 -3.224 1
1 911 . 1 1 1 A 72 72 TYR CB C 72 38.072 38.495 -0.423 1
1 912 . 1 1 1 A 72 72 TYR N N 72 121.813 122.170 -0.357 1
1 913 . 1 1 1 A 73 73 SER H H 73 8.414 8.319 0.095 1
1 914 . 1 1 1 A 73 73 SER HA H 73 3.462 4.183 -0.721 1
1 917 . 1 1 1 A 73 73 SER C C 73 175.127 176.058 -0.931 1
1 918 . 1 1 1 A 73 73 SER CA C 73 61.876 61.933 -0.057 1
1 919 . 1 1 1 A 73 73 SER CB C 73 61.327 62.993 -1.666 1
1 920 . 1 1 1 A 73 73 SER N N 73 117.840 116.139 1.701 1
1 921 . 1 1 1 A 74 74 VAL H H 74 7.363 8.332 -0.969 1
1 922 . 1 1 1 A 74 74 VAL HA H 74 3.584 3.642 -0.058 1
1 930 . 1 1 1 A 74 74 VAL C C 74 178.027 178.231 -0.204 1
1 931 . 1 1 1 A 74 74 VAL CA C 74 65.397 66.481 -1.084 1
1 932 . 1 1 1 A 74 74 VAL CB C 74 30.300 31.516 -1.216 1
1 935 . 1 1 1 A 74 74 VAL N N 74 123.439 121.975 1.464 1
1 936 . 1 1 1 A 75 75 PHE H H 75 7.282 8.091 -0.809 1
1 937 . 1 1 1 A 75 75 PHE HA H 75 4.562 4.069 0.493 1
1 945 . 1 1 1 A 75 75 PHE C C 75 176.127 176.817 -0.690 1
1 946 . 1 1 1 A 75 75 PHE CA C 75 57.851 61.042 -3.191 1
1 947 . 1 1 1 A 75 75 PHE CB C 75 36.863 38.877 -2.014 1
1 948 . 1 1 1 A 75 75 PHE N N 75 122.766 120.564 2.202 1
1 949 . 1 1 1 A 76 76 LEU H H 76 7.823 8.071 -0.248 1
1 950 . 1 1 1 A 76 76 LEU HA H 76 3.445 3.584 -0.139 1
1 960 . 1 1 1 A 76 76 LEU C C 76 178.927 179.074 -0.147 1
1 961 . 1 1 1 A 76 76 LEU CA C 76 56.891 57.751 -0.860 1
1 962 . 1 1 1 A 76 76 LEU CB C 76 39.917 41.236 -1.319 1
1 966 . 1 1 1 A 76 76 LEU N N 76 115.619 119.241 -3.622 1
1 967 . 1 1 1 A 77 77 THR H H 77 7.858 8.080 -0.222 1
1 968 . 1 1 1 A 77 77 THR HA H 77 3.665 3.802 -0.137 1
1 974 . 1 1 1 A 77 77 THR C C 77 175.427 176.717 -1.290 1
1 975 . 1 1 1 A 77 77 THR CA C 77 66.127 66.651 -0.524 1
1 976 . 1 1 1 A 77 77 THR CB C 77 67.585 68.586 -1.001 1
1 978 . 1 1 1 A 77 77 THR N N 77 113.417 115.744 -2.327 1
1 979 . 1 1 1 A 78 78 MET H H 78 7.970 7.910 0.060 1
1 980 . 1 1 1 A 78 78 MET HA H 78 3.935 4.037 -0.102 1
1 988 . 1 1 1 A 78 78 MET C C 78 179.127 178.820 0.307 1
1 989 . 1 1 1 A 78 78 MET CA C 78 58.780 58.896 -0.116 1
1 990 . 1 1 1 A 78 78 MET CB C 78 31.501 32.727 -1.226 1
1 993 . 1 1 1 A 78 78 MET N N 78 122.745 118.278 4.467 1
1 994 . 1 1 1 A 79 79 LEU H H 79 7.898 8.121 -0.223 1
1 995 . 1 1 1 A 79 79 LEU HA H 79 3.870 4.012 -0.142 1
1 1005 . 1 1 1 A 79 79 LEU C C 79 178.427 179.485 -1.058 1
1 1006 . 1 1 1 A 79 79 LEU CA C 79 56.843 57.737 -0.894 1
1 1007 . 1 1 1 A 79 79 LEU CB C 79 41.099 40.584 0.515 1
1 1011 . 1 1 1 A 79 79 LEU N N 79 120.989 119.794 1.195 1
1 1012 . 1 1 1 A 80 80 CYS H H 80 8.400 8.138 0.262 1
1 1013 . 1 1 1 A 80 80 CYS HA H 80 3.830 4.249 -0.419 1
1 1017 . 1 1 1 A 80 80 CYS C C 80 175.927 177.308 -1.381 1
1 1018 . 1 1 1 A 80 80 CYS CA C 80 64.044 61.852 2.192 1
1 1019 . 1 1 1 A 80 80 CYS CB C 80 25.626 27.248 -1.622 1
1 1020 . 1 1 1 A 80 80 CYS N N 80 117.746 118.957 -1.211 1
1 1021 . 1 1 1 A 81 81 MET H H 81 8.295 8.403 -0.108 1
1 1022 . 1 1 1 A 81 81 MET HA H 81 4.023 4.159 -0.136 1
1 1030 . 1 1 1 A 81 81 MET C C 81 177.327 178.084 -0.757 1
1 1031 . 1 1 1 A 81 81 MET CA C 81 57.601 59.116 -1.515 1
1 1032 . 1 1 1 A 81 81 MET CB C 81 30.668 33.408 -2.740 1
1 1035 . 1 1 1 A 81 81 MET N N 81 117.598 119.047 -1.449 1
1 1036 . 1 1 1 A 82 82 ALA H H 82 7.624 8.191 -0.567 1
1 1037 . 1 1 1 A 82 82 ALA HA H 82 4.061 4.054 0.007 1
1 1041 . 1 1 1 A 82 82 ALA C C 82 179.627 179.524 0.103 1
1 1042 . 1 1 1 A 82 82 ALA CA C 82 53.856 55.318 -1.462 1
1 1043 . 1 1 1 A 82 82 ALA CB C 82 16.794 18.553 -1.759 1
1 1044 . 1 1 1 A 82 82 ALA N N 82 121.886 121.282 0.604 1
1 1045 . 1 1 1 A 83 83 TYR H H 83 8.476 7.863 0.613 1
1 1046 . 1 1 1 A 83 83 TYR HA H 83 4.147 4.382 -0.235 1
1 1053 . 1 1 1 A 83 83 TYR C C 83 178.127 178.355 -0.228 1
1 1054 . 1 1 1 A 83 83 TYR CA C 83 60.066 61.686 -1.620 1
1 1055 . 1 1 1 A 83 83 TYR CB C 83 36.546 37.531 -0.985 1
1 1056 . 1 1 1 A 83 83 TYR N N 83 119.136 116.284 2.852 1
1 1057 . 1 1 1 A 84 84 ASN H H 84 8.386 8.075 0.311 1
1 1058 . 1 1 1 A 84 84 ASN HA H 84 4.221 4.493 -0.272 1
1 1063 . 1 1 1 A 84 84 ASN C C 84 175.427 177.614 -2.187 1
1 1064 . 1 1 1 A 84 84 ASN CA C 84 56.123 56.858 -0.735 1
1 1065 . 1 1 1 A 84 84 ASN CB C 84 37.387 38.866 -1.479 1
1 1066 . 1 1 1 A 84 84 ASN N N 84 120.692 119.866 0.826 1
1 1068 . 1 1 1 A 85 85 ASP H H 85 7.611 8.244 -0.633 1
1 1069 . 1 1 1 A 85 85 ASP HA H 85 4.234 4.528 -0.294 1
1 1072 . 1 1 1 A 85 85 ASP C C 85 178.227 178.467 -0.240 1
1 1073 . 1 1 1 A 85 85 ASP CA C 85 56.752 57.065 -0.313 1
1 1074 . 1 1 1 A 85 85 ASP CB C 85 38.688 40.848 -2.160 1
1 1075 . 1 1 1 A 85 85 ASP N N 85 118.378 118.210 0.168 1
1 1076 . 1 1 1 A 86 86 PHE H H 86 7.538 8.210 -0.672 1
1 1077 . 1 1 1 A 86 86 PHE HA H 86 4.291 4.244 0.047 1
1 1084 . 1 1 1 A 86 86 PHE C C 86 176.627 177.937 -1.310 1
1 1085 . 1 1 1 A 86 86 PHE CA C 86 58.743 61.360 -2.617 1
1 1086 . 1 1 1 A 86 86 PHE CB C 86 37.488 39.368 -1.880 1
1 1087 . 1 1 1 A 86 86 PHE N N 86 118.712 122.028 -3.316 1
1 1088 . 1 1 1 A 87 87 PHE H H 87 8.132 8.251 -0.119 1
1 1089 . 1 1 1 A 87 87 PHE HA H 87 3.906 4.153 -0.247 1
1 1096 . 1 1 1 A 87 87 PHE C C 87 176.627 177.202 -0.575 1
1 1097 . 1 1 1 A 87 87 PHE CA C 87 59.554 61.817 -2.263 1
1 1098 . 1 1 1 A 87 87 PHE CB C 87 38.017 39.432 -1.415 1
1 1099 . 1 1 1 A 87 87 PHE N N 87 121.649 120.017 1.632 1
1 1100 . 1 1 1 A 88 88 LEU H H 88 7.953 8.272 -0.319 1
1 1101 . 1 1 1 A 88 88 LEU HA H 88 3.775 3.999 -0.224 1
1 1111 . 1 1 1 A 88 88 LEU C C 88 177.627 177.687 -0.060 1
1 1112 . 1 1 1 A 88 88 LEU CA C 88 55.078 56.985 -1.907 1
1 1113 . 1 1 1 A 88 88 LEU CB C 88 41.226 41.593 -0.367 1
1 1117 . 1 1 1 A 88 88 LEU N N 88 118.897 119.100 -0.203 1
1 1118 . 1 1 1 A 89 89 GLU H H 89 7.475 8.000 -0.525 1
1 1119 . 1 1 1 A 89 89 GLU HA H 89 3.914 4.340 -0.426 1
1 1124 . 1 1 1 A 89 89 GLU C C 89 176.127 176.671 -0.544 1
1 1125 . 1 1 1 A 89 89 GLU CA C 89 56.926 56.826 0.100 1
1 1126 . 1 1 1 A 89 89 GLU CB C 89 28.567 30.234 -1.667 1
1 1128 . 1 1 1 A 89 89 GLU N N 89 119.332 117.746 1.586 1
1 1129 . 1 1 1 A 90 90 ASP H H 90 7.750 7.950 -0.200 1
1 1130 . 1 1 1 A 90 90 ASP HA H 90 4.370 4.907 -0.537 1
1 1133 . 1 1 1 A 90 90 ASP C C 90 175.227 177.702 -2.475 1
1 1134 . 1 1 1 A 90 90 ASP CA C 90 53.593 55.490 -1.897 1
1 1135 . 1 1 1 A 90 90 ASP CB C 90 40.323 42.477 -2.154 1
1 1136 . 1 1 1 A 90 90 ASP N N 90 118.945 120.629 -1.684 1
1 1137 . 1 1 1 A 91 91 ASN H H 91 7.681 7.763 -0.082 1
1 1138 . 1 1 1 A 91 91 ASN HA H 91 4.495 4.653 -0.158 1
1 1143 . 1 1 1 A 91 91 ASN C C 91 173.027 175.705 -2.678 1
1 1144 . 1 1 1 A 91 91 ASN CA C 91 52.041 53.644 -1.603 1
1 1145 . 1 1 1 A 91 91 ASN CB C 91 38.072 37.982 0.090 1
1 1146 . 1 1 1 A 91 91 ASN N N 91 118.171 116.861 1.310 1
1 10 . 2 1 1 A 2 2 GLU H H 2 8.776 8.883 -0.107 1
1 11 . 2 1 1 A 2 2 GLU HA H 2 4.535 4.550 -0.015 1
1 16 . 2 1 1 A 2 2 GLU C C 2 175.627 176.285 -0.658 1
1 17 . 2 1 1 A 2 2 GLU CA C 2 55.573 57.948 -2.375 1
1 18 . 2 1 1 A 2 2 GLU CB C 2 30.569 31.821 -1.252 1
1 20 . 2 1 1 A 2 2 GLU N N 2 124.305 125.136 -0.831 1
1 21 . 2 1 1 A 3 3 THR H H 3 8.835 7.525 1.310 1
1 22 . 2 1 1 A 3 3 THR HA H 3 4.608 4.849 -0.241 1
1 27 . 2 1 1 A 3 3 THR CA C 3 59.187 59.087 0.100 1
1 28 . 2 1 1 A 3 3 THR CB C 3 67.385 71.282 -3.897 1
1 30 . 2 1 1 A 3 3 THR N N 3 116.176 110.171 6.005 1
1 31 . 2 1 1 A 4 4 PRO HA H 4 4.158 4.430 -0.272 1
1 38 . 2 1 1 A 4 4 PRO C C 4 179.327 177.363 1.964 1
1 39 . 2 1 1 A 4 4 PRO CA C 4 65.040 64.314 0.726 1
1 40 . 2 1 1 A 4 4 PRO CB C 4 30.616 31.911 -1.295 1
1 43 . 2 1 1 A 5 5 LEU H H 5 8.794 7.615 1.179 1
1 44 . 2 1 1 A 5 5 LEU HA H 5 3.944 4.021 -0.077 1
1 54 . 2 1 1 A 5 5 LEU C C 5 177.327 178.387 -1.060 1
1 55 . 2 1 1 A 5 5 LEU CA C 5 56.920 57.303 -0.383 1
1 56 . 2 1 1 A 5 5 LEU CB C 5 41.139 41.774 -0.635 1
1 60 . 2 1 1 A 5 5 LEU N N 5 118.892 119.746 -0.854 1
1 61 . 2 1 1 A 6 6 GLU H H 6 7.664 8.272 -0.608 1
1 62 . 2 1 1 A 6 6 GLU HA H 6 3.744 3.884 -0.140 1
1 67 . 2 1 1 A 6 6 GLU C C 6 178.827 179.287 -0.460 1
1 68 . 2 1 1 A 6 6 GLU CA C 6 59.347 59.890 -0.543 1
1 69 . 2 1 1 A 6 6 GLU CB C 6 28.700 29.408 -0.708 1
1 71 . 2 1 1 A 6 6 GLU N N 6 118.741 118.678 0.063 1
1 72 . 2 1 1 A 7 7 LYS H H 7 8.435 8.056 0.379 1
1 73 . 2 1 1 A 7 7 LYS HA H 7 3.909 4.225 -0.316 1
1 82 . 2 1 1 A 7 7 LYS C C 7 178.527 178.922 -0.395 1
1 83 . 2 1 1 A 7 7 LYS CA C 7 58.539 59.167 -0.628 1
1 84 . 2 1 1 A 7 7 LYS CB C 7 31.217 31.948 -0.731 1
1 88 . 2 1 1 A 7 7 LYS N N 7 119.285 119.296 -0.011 1
1 89 . 2 1 1 A 8 8 ALA H H 8 8.008 7.861 0.147 1
1 90 . 2 1 1 A 8 8 ALA HA H 8 4.038 3.988 0.050 1
1 94 . 2 1 1 A 8 8 ALA C C 8 178.327 179.695 -1.368 1
1 95 . 2 1 1 A 8 8 ALA CA C 8 54.356 55.025 -0.669 1
1 96 . 2 1 1 A 8 8 ALA CB C 8 17.509 18.483 -0.974 1
1 97 . 2 1 1 A 8 8 ALA N N 8 123.866 122.752 1.114 1
1 98 . 2 1 1 A 9 9 LEU H H 9 8.163 8.466 -0.303 1
1 99 . 2 1 1 A 9 9 LEU HA H 9 3.809 3.931 -0.122 1
1 109 . 2 1 1 A 9 9 LEU C C 9 178.527 179.398 -0.871 1
1 110 . 2 1 1 A 9 9 LEU CA C 9 57.256 57.902 -0.646 1
1 111 . 2 1 1 A 9 9 LEU CB C 9 40.483 42.030 -1.547 1
1 115 . 2 1 1 A 9 9 LEU N N 9 119.134 118.266 0.868 1
1 116 . 2 1 1 A 10 10 THR H H 10 8.186 8.100 0.086 1
1 117 . 2 1 1 A 10 10 THR HA H 10 3.741 4.106 -0.365 1
1 122 . 2 1 1 A 10 10 THR C C 10 176.727 176.978 -0.251 1
1 123 . 2 1 1 A 10 10 THR CA C 10 66.345 66.047 0.298 1
1 124 . 2 1 1 A 10 10 THR CB C 10 67.558 67.936 -0.378 1
1 126 . 2 1 1 A 10 10 THR N N 10 114.355 109.625 4.730 1
1 127 . 2 1 1 A 11 11 THR H H 11 8.387 8.178 0.209 1
1 128 . 2 1 1 A 11 11 THR HA H 11 3.963 3.915 0.048 1
1 133 . 2 1 1 A 11 11 THR C C 11 176.827 175.874 0.953 1
1 134 . 2 1 1 A 11 11 THR CA C 11 65.801 66.870 -1.069 1
1 135 . 2 1 1 A 11 11 THR CB C 11 67.140 68.208 -1.068 1
1 137 . 2 1 1 A 11 11 THR N N 11 120.801 116.825 3.976 1
1 138 . 2 1 1 A 12 12 MET H H 12 8.299 8.465 -0.166 1
1 139 . 2 1 1 A 12 12 MET HA H 12 3.872 4.456 -0.584 1
1 147 . 2 1 1 A 12 12 MET C C 12 177.827 178.133 -0.306 1
1 148 . 2 1 1 A 12 12 MET CA C 12 59.263 58.240 1.023 1
1 149 . 2 1 1 A 12 12 MET CB C 12 31.845 32.324 -0.479 1
1 152 . 2 1 1 A 12 12 MET N N 12 124.102 120.088 4.014 1
1 153 . 2 1 1 A 13 13 VAL H H 13 7.820 8.495 -0.675 1
1 154 . 2 1 1 A 13 13 VAL HA H 13 3.937 3.746 0.191 1
1 162 . 2 1 1 A 13 13 VAL C C 13 177.127 178.566 -1.439 1
1 163 . 2 1 1 A 13 13 VAL CA C 13 65.677 66.691 -1.014 1
1 164 . 2 1 1 A 13 13 VAL CB C 13 31.656 31.628 0.028 1
1 167 . 2 1 1 A 13 13 VAL N N 13 119.838 119.333 0.505 1
1 168 . 2 1 1 A 14 14 THR H H 14 9.107 8.342 0.765 1
1 169 . 2 1 1 A 14 14 THR HA H 14 3.654 4.017 -0.363 1
1 174 . 2 1 1 A 14 14 THR C C 14 177.527 176.705 0.822 1
1 175 . 2 1 1 A 14 14 THR CA C 14 65.273 66.020 -0.747 1
1 176 . 2 1 1 A 14 14 THR CB C 14 67.652 68.766 -1.114 1
1 178 . 2 1 1 A 14 14 THR N N 14 112.247 117.196 -4.949 1
1 179 . 2 1 1 A 15 15 THR H H 15 8.189 8.297 -0.108 1
1 180 . 2 1 1 A 15 15 THR HA H 15 3.864 4.024 -0.160 1
1 186 . 2 1 1 A 15 15 THR C C 15 173.627 176.705 -3.078 1
1 187 . 2 1 1 A 15 15 THR CA C 15 66.930 65.686 1.244 1
1 188 . 2 1 1 A 15 15 THR CB C 15 66.539 68.361 -1.822 1
1 190 . 2 1 1 A 15 15 THR N N 15 117.691 112.264 5.427 1
1 191 . 2 1 1 A 16 16 PHE H H 16 6.850 8.163 -1.313 1
1 192 . 2 1 1 A 16 16 PHE HA H 16 3.417 4.056 -0.639 1
1 199 . 2 1 1 A 16 16 PHE C C 16 175.627 177.328 -1.701 1
1 200 . 2 1 1 A 16 16 PHE CA C 16 61.577 61.315 0.262 1
1 201 . 2 1 1 A 16 16 PHE CB C 16 38.177 38.677 -0.500 1
1 202 . 2 1 1 A 16 16 PHE N N 16 120.169 124.047 -3.878 1
1 203 . 2 1 1 A 17 17 HIS H H 17 6.924 7.932 -1.008 1
1 204 . 2 1 1 A 17 17 HIS HA H 17 4.755 4.013 0.742 1
1 207 . 2 1 1 A 17 17 HIS C C 17 176.227 177.371 -1.144 1
1 208 . 2 1 1 A 17 17 HIS CA C 17 56.810 59.916 -3.106 1
1 209 . 2 1 1 A 17 17 HIS CB C 17 29.597 29.516 0.081 1
1 210 . 2 1 1 A 17 17 HIS N N 17 115.499 117.536 -2.037 1
1 211 . 2 1 1 A 18 18 LYS H H 18 7.888 7.922 -0.034 1
1 212 . 2 1 1 A 18 18 LYS HA H 18 3.870 3.914 -0.044 1
1 221 . 2 1 1 A 18 18 LYS C C 18 176.927 178.568 -1.641 1
1 222 . 2 1 1 A 18 18 LYS CA C 18 57.897 58.942 -1.045 1
1 223 . 2 1 1 A 18 18 LYS CB C 18 31.582 31.824 -0.242 1
1 227 . 2 1 1 A 18 18 LYS N N 18 121.217 119.622 1.595 1
1 228 . 2 1 1 A 19 19 TYR H H 19 6.928 7.737 -0.809 1
1 229 . 2 1 1 A 19 19 TYR HA H 19 4.163 4.107 0.056 1
1 234 . 2 1 1 A 19 19 TYR C C 19 175.027 178.300 -3.273 1
1 235 . 2 1 1 A 19 19 TYR CA C 19 59.335 60.679 -1.344 1
1 236 . 2 1 1 A 19 19 TYR CB C 19 39.515 38.078 1.437 1
1 237 . 2 1 1 A 19 19 TYR N N 19 114.488 119.199 -4.711 1
1 238 . 2 1 1 A 20 20 SER H H 20 8.021 8.267 -0.246 1
1 239 . 2 1 1 A 20 20 SER HA H 20 3.105 4.046 -0.941 1
1 242 . 2 1 1 A 20 20 SER C C 20 176.527 176.542 -0.015 1
1 243 . 2 1 1 A 20 20 SER CA C 20 60.457 60.946 -0.489 1
1 244 . 2 1 1 A 20 20 SER CB C 20 60.326 62.322 -1.996 1
1 245 . 2 1 1 A 20 20 SER N N 20 112.624 115.607 -2.983 1
1 246 . 2 1 1 A 21 21 GLY H H 21 7.908 8.343 -0.435 1
1 247 . 2 1 1 A 21 21 GLY HA2 H 21 4.197 3.892 0.305 1
1 248 . 2 1 1 A 21 21 GLY HA3 H 21 3.761 3.910 -0.149 1
1 249 . 2 1 1 A 21 21 GLY C C 21 173.027 175.439 -2.412 1
1 250 . 2 1 1 A 21 21 GLY CA C 21 44.357 45.602 -1.245 1
1 251 . 2 1 1 A 21 21 GLY N N 21 112.095 107.334 4.761 1
1 252 . 2 1 1 A 22 22 ARG H H 22 7.470 7.368 0.102 1
1 253 . 2 1 1 A 22 22 ARG HA H 22 3.956 3.985 -0.029 1
1 260 . 2 1 1 A 22 22 ARG C C 22 176.327 176.334 -0.007 1
1 261 . 2 1 1 A 22 22 ARG CA C 22 58.189 58.895 -0.706 1
1 262 . 2 1 1 A 22 22 ARG CB C 22 29.483 30.578 -1.095 1
1 265 . 2 1 1 A 22 22 ARG N N 22 122.481 120.739 1.742 1
1 266 . 2 1 1 A 23 23 GLU H H 23 9.412 7.772 1.640 1
1 267 . 2 1 1 A 23 23 GLU HA H 23 4.626 4.395 0.231 1
1 272 . 2 1 1 A 23 23 GLU C C 23 175.027 174.741 0.286 1
1 273 . 2 1 1 A 23 23 GLU CA C 23 53.319 55.660 -2.341 1
1 274 . 2 1 1 A 23 23 GLU CB C 23 32.032 29.331 2.701 1
1 276 . 2 1 1 A 23 23 GLU N N 23 116.123 114.203 1.920 1
1 277 . 2 1 1 A 24 24 GLY H H 24 9.080 8.476 0.604 1
1 278 . 2 1 1 A 24 24 GLY HA2 H 24 3.694 3.585 0.109 1
1 279 . 2 1 1 A 24 24 GLY HA3 H 24 3.878 3.635 0.243 1
1 280 . 2 1 1 A 24 24 GLY C C 24 172.827 174.666 -1.839 1
1 281 . 2 1 1 A 24 24 GLY CA C 24 44.707 46.713 -2.006 1
1 282 . 2 1 1 A 24 24 GLY N N 24 114.015 108.955 5.060 1
1 283 . 2 1 1 A 25 25 SER H H 25 8.465 8.580 -0.115 1
1 284 . 2 1 1 A 25 25 SER HA H 25 4.312 4.384 -0.072 1
1 287 . 2 1 1 A 25 25 SER C C 25 178.027 172.484 5.543 1
1 288 . 2 1 1 A 25 25 SER CA C 25 57.478 58.731 -1.253 1
1 289 . 2 1 1 A 25 25 SER CB C 25 61.941 62.540 -0.599 1
1 290 . 2 1 1 A 25 25 SER N N 25 117.299 120.887 -3.588 1
1 291 . 2 1 1 A 26 26 LYS H H 26 9.532 8.912 0.620 1
1 292 . 2 1 1 A 26 26 LYS HA H 26 4.660 4.768 -0.108 1
1 301 . 2 1 1 A 26 26 LYS C C 26 176.127 176.565 -0.438 1
1 302 . 2 1 1 A 26 26 LYS CA C 26 56.928 54.778 2.150 1
1 303 . 2 1 1 A 26 26 LYS CB C 26 30.526 35.296 -4.770 1
1 307 . 2 1 1 A 26 26 LYS N N 26 131.209 122.808 8.401 1
1 308 . 2 1 1 A 27 27 LEU H H 27 8.643 8.590 0.053 1
1 309 . 2 1 1 A 27 27 LEU HA H 27 4.583 4.173 0.410 1
1 319 . 2 1 1 A 27 27 LEU C C 27 174.827 175.647 -0.820 1
1 320 . 2 1 1 A 27 27 LEU CA C 27 53.205 57.122 -3.917 1
1 321 . 2 1 1 A 27 27 LEU CB C 27 41.824 40.457 1.367 1
1 325 . 2 1 1 A 27 27 LEU N N 27 118.729 119.328 -0.599 1
1 326 . 2 1 1 A 28 28 THR H H 28 7.037 7.498 -0.461 1
1 327 . 2 1 1 A 28 28 THR HA H 28 5.168 5.425 -0.257 1
1 332 . 2 1 1 A 28 28 THR C C 28 172.727 172.848 -0.121 1
1 333 . 2 1 1 A 28 28 THR CA C 28 57.915 59.610 -1.695 1
1 334 . 2 1 1 A 28 28 THR CB C 28 71.934 72.615 -0.681 1
1 336 . 2 1 1 A 28 28 THR N N 28 104.663 111.198 -6.535 1
1 337 . 2 1 1 A 29 29 LEU H H 29 9.517 9.225 0.292 1
1 338 . 2 1 1 A 29 29 LEU HA H 29 5.196 4.861 0.335 1
1 348 . 2 1 1 A 29 29 LEU C C 29 175.527 175.943 -0.416 1
1 349 . 2 1 1 A 29 29 LEU CA C 29 51.653 53.527 -1.874 1
1 350 . 2 1 1 A 29 29 LEU CB C 29 42.301 42.073 0.228 1
1 354 . 2 1 1 A 29 29 LEU N N 29 125.388 125.048 0.340 1
1 355 . 2 1 1 A 30 30 SER H H 30 10.053 9.102 0.951 1
1 356 . 2 1 1 A 30 30 SER HA H 30 4.475 4.572 -0.097 1
1 359 . 2 1 1 A 30 30 SER C C 30 173.427 175.409 -1.982 1
1 360 . 2 1 1 A 30 30 SER CA C 30 55.011 58.316 -3.305 1
1 361 . 2 1 1 A 30 30 SER CB C 30 64.446 63.625 0.821 1
1 362 . 2 1 1 A 30 30 SER N N 30 121.114 120.822 0.292 1
1 363 . 2 1 1 A 31 31 ARG H H 31 8.992 8.963 0.029 1
1 364 . 2 1 1 A 31 31 ARG HA H 31 3.923 3.882 0.041 1
1 371 . 2 1 1 A 31 31 ARG C C 31 177.027 178.137 -1.110 1
1 372 . 2 1 1 A 31 31 ARG CA C 31 59.408 59.847 -0.439 1
1 373 . 2 1 1 A 31 31 ARG CB C 31 29.041 30.165 -1.124 1
1 376 . 2 1 1 A 31 31 ARG N N 31 120.513 125.743 -5.230 1
1 377 . 2 1 1 A 32 32 LYS H H 32 7.845 8.100 -0.255 1
1 378 . 2 1 1 A 32 32 LYS HA H 32 3.826 4.015 -0.189 1
1 387 . 2 1 1 A 32 32 LYS C C 32 178.927 178.845 0.082 1
1 388 . 2 1 1 A 32 32 LYS CA C 32 58.677 59.188 -0.511 1
1 389 . 2 1 1 A 32 32 LYS CB C 32 31.964 31.786 0.178 1
1 393 . 2 1 1 A 32 32 LYS N N 32 117.011 117.880 -0.869 1
1 394 . 2 1 1 A 33 33 GLU H H 33 7.612 8.122 -0.510 1
1 395 . 2 1 1 A 33 33 GLU HA H 33 3.954 4.078 -0.124 1
1 400 . 2 1 1 A 33 33 GLU C C 33 177.227 178.993 -1.766 1
1 401 . 2 1 1 A 33 33 GLU CA C 33 58.289 59.142 -0.853 1
1 402 . 2 1 1 A 33 33 GLU CB C 33 29.757 29.191 0.566 1
1 404 . 2 1 1 A 33 33 GLU N N 33 120.815 119.572 1.243 1
1 405 . 2 1 1 A 34 34 LEU H H 34 8.694 7.857 0.837 1
1 406 . 2 1 1 A 34 34 LEU HA H 34 3.811 3.855 -0.044 1
1 416 . 2 1 1 A 34 34 LEU C C 34 176.927 178.201 -1.274 1
1 417 . 2 1 1 A 34 34 LEU CA C 34 57.025 57.476 -0.451 1
1 418 . 2 1 1 A 34 34 LEU CB C 34 40.638 41.837 -1.199 1
1 422 . 2 1 1 A 34 34 LEU N N 34 119.291 121.286 -1.995 1
1 423 . 2 1 1 A 35 35 LYS H H 35 8.114 7.927 0.187 1
1 424 . 2 1 1 A 35 35 LYS HA H 35 3.569 3.778 -0.209 1
1 433 . 2 1 1 A 35 35 LYS C C 35 177.027 178.780 -1.753 1
1 434 . 2 1 1 A 35 35 LYS CA C 35 59.419 59.388 0.031 1
1 435 . 2 1 1 A 35 35 LYS CB C 35 31.271 31.987 -0.716 1
1 439 . 2 1 1 A 35 35 LYS N N 35 117.277 118.958 -1.681 1
1 440 . 2 1 1 A 36 36 GLU H H 36 7.560 7.890 -0.330 1
1 441 . 2 1 1 A 36 36 GLU HA H 36 3.845 4.021 -0.176 1
1 446 . 2 1 1 A 36 36 GLU C C 36 175.827 178.501 -2.674 1
1 447 . 2 1 1 A 36 36 GLU CA C 36 58.190 59.113 -0.923 1
1 448 . 2 1 1 A 36 36 GLU CB C 36 28.253 29.357 -1.104 1
1 450 . 2 1 1 A 36 36 GLU N N 36 119.302 119.291 0.011 1
1 451 . 2 1 1 A 37 37 LEU H H 37 7.682 7.623 0.059 1
1 452 . 2 1 1 A 37 37 LEU HA H 37 2.280 2.856 -0.576 1
1 462 . 2 1 1 A 37 37 LEU C C 37 178.327 178.346 -0.019 1
1 463 . 2 1 1 A 37 37 LEU CA C 37 58.225 57.639 0.586 1
1 464 . 2 1 1 A 37 37 LEU CB C 37 41.090 41.252 -0.162 1
1 468 . 2 1 1 A 37 37 LEU N N 37 121.690 120.236 1.454 1
1 469 . 2 1 1 A 38 38 ILE H H 38 8.157 8.346 -0.189 1
1 470 . 2 1 1 A 38 38 ILE HA H 38 3.292 3.558 -0.266 1
1 480 . 2 1 1 A 38 38 ILE C C 38 177.027 178.195 -1.168 1
1 481 . 2 1 1 A 38 38 ILE CA C 38 65.007 65.751 -0.744 1
1 482 . 2 1 1 A 38 38 ILE CB C 38 37.187 37.831 -0.644 1
1 486 . 2 1 1 A 38 38 ILE N N 38 117.626 119.384 -1.758 1
1 487 . 2 1 1 A 39 39 LYS H H 39 8.068 7.982 0.086 1
1 488 . 2 1 1 A 39 39 LYS HA H 39 3.876 4.089 -0.213 1
1 497 . 2 1 1 A 39 39 LYS C C 39 177.927 178.202 -0.275 1
1 498 . 2 1 1 A 39 39 LYS CA C 39 58.204 58.564 -0.360 1
1 499 . 2 1 1 A 39 39 LYS CB C 39 31.731 32.194 -0.463 1
1 503 . 2 1 1 A 39 39 LYS N N 39 117.909 120.416 -2.507 1
1 504 . 2 1 1 A 40 40 LYS H H 40 8.094 7.659 0.435 1
1 505 . 2 1 1 A 40 40 LYS HA H 40 4.248 4.346 -0.098 1
1 514 . 2 1 1 A 40 40 LYS C C 40 178.227 178.819 -0.592 1
1 515 . 2 1 1 A 40 40 LYS CA C 40 56.291 57.607 -1.316 1
1 516 . 2 1 1 A 40 40 LYS CB C 40 32.652 33.195 -0.543 1
1 520 . 2 1 1 A 40 40 LYS N N 40 114.323 118.201 -3.878 1
1 521 . 2 1 1 A 41 41 GLU H H 41 8.381 8.154 0.227 1
1 522 . 2 1 1 A 41 41 GLU HA H 41 4.744 4.257 0.487 1
1 527 . 2 1 1 A 41 41 GLU C C 41 176.227 176.840 -0.613 1
1 528 . 2 1 1 A 41 41 GLU CA C 41 55.054 58.625 -3.571 1
1 529 . 2 1 1 A 41 41 GLU CB C 41 29.598 31.086 -1.488 1
1 531 . 2 1 1 A 41 41 GLU N N 41 113.079 118.797 -5.718 1
1 532 . 2 1 1 A 42 42 LEU H H 42 7.544 8.406 -0.862 1
1 533 . 2 1 1 A 42 42 LEU HA H 42 4.754 4.582 0.172 1
1 542 . 2 1 1 A 42 42 LEU CA C 42 52.564 54.331 -1.767 1
1 543 . 2 1 1 A 42 42 LEU CB C 42 43.848 42.847 1.001 1
1 546 . 2 1 1 A 42 42 LEU N N 42 118.458 117.995 0.463 1
1 547 . 2 1 1 A 43 43 CYS H H 43 8.342 8.743 -0.401 1
1 548 . 2 1 1 A 43 43 CYS HA H 43 4.486 4.528 -0.042 1
1 551 . 2 1 1 A 43 43 CYS C C 43 174.327 174.575 -0.248 1
1 552 . 2 1 1 A 43 43 CYS CA C 43 57.655 61.882 -4.227 1
1 553 . 2 1 1 A 43 43 CYS CB C 43 25.653 28.240 -2.587 1
1 554 . 2 1 1 A 44 44 LEU H H 44 8.123 8.002 0.121 1
1 555 . 2 1 1 A 44 44 LEU HA H 44 4.339 4.120 0.219 1
1 565 . 2 1 1 A 44 44 LEU C C 44 176.927 177.060 -0.133 1
1 566 . 2 1 1 A 44 44 LEU CA C 44 53.750 56.981 -3.231 1
1 567 . 2 1 1 A 44 44 LEU CB C 44 40.784 40.713 0.071 1
1 571 . 2 1 1 A 44 44 LEU N N 44 121.974 120.820 1.154 1
1 572 . 2 1 1 A 45 45 GLY H H 45 8.072 8.671 -0.599 1
1 573 . 2 1 1 A 45 45 GLY HA2 H 45 3.889 3.889 0.000 1
1 574 . 2 1 1 A 45 45 GLY HA3 H 45 3.698 3.974 -0.276 1
1 575 . 2 1 1 A 45 45 GLY C C 45 173.127 174.922 -1.795 1
1 576 . 2 1 1 A 45 45 GLY CA C 45 44.291 45.463 -1.172 1
1 577 . 2 1 1 A 45 45 GLY N N 45 107.819 111.119 -3.300 1
1 578 . 2 1 1 A 46 46 GLU H H 46 8.472 7.994 0.478 1
1 579 . 2 1 1 A 46 46 GLU HA H 46 4.048 4.501 -0.453 1
1 584 . 2 1 1 A 46 46 GLU C C 46 175.727 176.447 -0.720 1
1 585 . 2 1 1 A 46 46 GLU CA C 46 56.461 57.761 -1.300 1
1 586 . 2 1 1 A 46 46 GLU CB C 46 28.208 31.325 -3.117 1
1 588 . 2 1 1 A 46 46 GLU N N 46 120.563 119.389 1.174 1
1 589 . 2 1 1 A 47 47 MET H H 47 8.189 8.016 0.173 1
1 590 . 2 1 1 A 47 47 MET HA H 47 4.413 4.475 -0.062 1
1 598 . 2 1 1 A 47 47 MET C C 47 175.027 175.031 -0.004 1
1 599 . 2 1 1 A 47 47 MET CA C 47 53.905 54.873 -0.968 1
1 600 . 2 1 1 A 47 47 MET CB C 47 32.611 32.019 0.592 1
1 603 . 2 1 1 A 47 47 MET N N 47 123.201 118.905 4.296 1
1 604 . 2 1 1 A 48 48 LYS H H 48 8.355 8.200 0.155 1
1 605 . 2 1 1 A 48 48 LYS HA H 48 4.237 4.581 -0.344 1
1 614 . 2 1 1 A 48 48 LYS C C 48 177.027 178.386 -1.359 1
1 615 . 2 1 1 A 48 48 LYS CA C 48 55.443 54.904 0.539 1
1 616 . 2 1 1 A 48 48 LYS CB C 48 32.173 33.151 -0.978 1
1 620 . 2 1 1 A 48 48 LYS N N 48 123.046 126.400 -3.354 1
1 621 . 2 1 1 A 49 49 GLU H H 49 8.742 8.851 -0.109 1
1 622 . 2 1 1 A 49 49 GLU HA H 49 3.884 3.886 -0.002 1
1 627 . 2 1 1 A 49 49 GLU C C 49 177.727 178.087 -0.360 1
1 628 . 2 1 1 A 49 49 GLU CA C 49 58.534 59.998 -1.464 1
1 629 . 2 1 1 A 49 49 GLU CB C 49 27.870 29.470 -1.600 1
1 631 . 2 1 1 A 49 49 GLU N N 49 122.407 122.218 0.189 1
1 632 . 2 1 1 A 50 50 SER H H 50 8.324 8.041 0.283 1
1 633 . 2 1 1 A 50 50 SER HA H 50 4.188 4.219 -0.031 1
1 636 . 2 1 1 A 50 50 SER C C 50 175.427 176.673 -1.246 1
1 637 . 2 1 1 A 50 50 SER CA C 50 59.402 61.543 -2.141 1
1 638 . 2 1 1 A 50 50 SER CB C 50 61.442 63.148 -1.706 1
1 639 . 2 1 1 A 50 50 SER N N 50 112.475 118.226 -5.751 1
1 640 . 2 1 1 A 51 51 SER H H 51 7.400 7.946 -0.546 1
1 641 . 2 1 1 A 51 51 SER HA H 51 3.926 4.186 -0.260 1
1 644 . 2 1 1 A 51 51 SER C C 51 176.027 176.663 -0.636 1
1 645 . 2 1 1 A 51 51 SER CA C 51 59.762 61.878 -2.116 1
1 646 . 2 1 1 A 51 51 SER CB C 51 60.955 62.940 -1.985 1
1 647 . 2 1 1 A 51 51 SER N N 51 118.432 119.458 -1.026 1
1 648 . 2 1 1 A 52 52 ILE H H 52 7.790 8.056 -0.266 1
1 649 . 2 1 1 A 52 52 ILE HA H 52 3.642 3.534 0.108 1
1 659 . 2 1 1 A 52 52 ILE C C 52 176.427 177.547 -1.120 1
1 660 . 2 1 1 A 52 52 ILE CA C 52 61.984 65.421 -3.437 1
1 661 . 2 1 1 A 52 52 ILE CB C 52 34.990 37.850 -2.860 1
1 665 . 2 1 1 A 52 52 ILE N N 52 123.838 121.824 2.014 1
1 666 . 2 1 1 A 53 53 ASP H H 53 8.092 7.980 0.112 1
1 667 . 2 1 1 A 53 53 ASP HA H 53 4.225 4.374 -0.149 1
1 670 . 2 1 1 A 53 53 ASP C C 53 178.227 178.356 -0.129 1
1 671 . 2 1 1 A 53 53 ASP CA C 53 56.606 57.091 -0.485 1
1 672 . 2 1 1 A 53 53 ASP CB C 53 39.034 40.344 -1.310 1
1 673 . 2 1 1 A 53 53 ASP N N 53 121.313 118.765 2.548 1
1 674 . 2 1 1 A 54 54 ASP H H 54 7.811 8.252 -0.441 1
1 675 . 2 1 1 A 54 54 ASP HA H 54 4.253 4.383 -0.130 1
1 678 . 2 1 1 A 54 54 ASP C C 54 177.927 178.225 -0.298 1
1 679 . 2 1 1 A 54 54 ASP CA C 54 56.467 57.128 -0.661 1
1 680 . 2 1 1 A 54 54 ASP CB C 54 39.401 40.944 -1.543 1
1 681 . 2 1 1 A 54 54 ASP N N 54 120.122 119.519 0.603 1
1 682 . 2 1 1 A 55 55 LEU H H 55 7.789 7.919 -0.130 1
1 683 . 2 1 1 A 55 55 LEU HA H 55 3.979 4.044 -0.065 1
1 693 . 2 1 1 A 55 55 LEU C C 55 178.027 178.423 -0.396 1
1 694 . 2 1 1 A 55 55 LEU CA C 55 56.713 57.998 -1.285 1
1 695 . 2 1 1 A 55 55 LEU CB C 55 40.799 41.222 -0.423 1
1 699 . 2 1 1 A 55 55 LEU N N 55 122.944 120.488 2.456 1
1 700 . 2 1 1 A 56 56 MET H H 56 8.601 8.618 -0.017 1
1 701 . 2 1 1 A 56 56 MET HA H 56 3.827 4.076 -0.249 1
1 709 . 2 1 1 A 56 56 MET C C 56 177.027 178.092 -1.065 1
1 710 . 2 1 1 A 56 56 MET CA C 56 57.116 58.252 -1.136 1
1 711 . 2 1 1 A 56 56 MET CB C 56 29.825 31.621 -1.796 1
1 714 . 2 1 1 A 56 56 MET N N 56 117.863 119.515 -1.652 1
1 715 . 2 1 1 A 57 57 LYS H H 57 7.693 7.985 -0.292 1
1 716 . 2 1 1 A 57 57 LYS HA H 57 3.954 4.000 -0.046 1
1 725 . 2 1 1 A 57 57 LYS C C 57 178.127 178.501 -0.374 1
1 726 . 2 1 1 A 57 57 LYS CA C 57 58.352 59.063 -0.711 1
1 727 . 2 1 1 A 57 57 LYS CB C 57 31.315 32.084 -0.769 1
1 731 . 2 1 1 A 57 57 LYS N N 57 116.455 120.010 -3.555 1
1 732 . 2 1 1 A 58 58 SER H H 58 7.661 7.872 -0.211 1
1 733 . 2 1 1 A 58 58 SER HA H 58 4.115 4.326 -0.211 1
1 736 . 2 1 1 A 58 58 SER C C 58 174.827 177.313 -2.486 1
1 737 . 2 1 1 A 58 58 SER CA C 58 59.986 61.149 -1.163 1
1 738 . 2 1 1 A 58 58 SER CB C 58 62.464 63.089 -0.625 1
1 739 . 2 1 1 A 58 58 SER N N 58 113.020 114.952 -1.932 1
1 740 . 2 1 1 A 59 59 LEU H H 59 7.917 8.050 -0.133 1
1 741 . 2 1 1 A 59 59 LEU HA H 59 4.269 4.162 0.107 1
1 751 . 2 1 1 A 59 59 LEU C C 59 177.627 177.916 -0.289 1
1 752 . 2 1 1 A 59 59 LEU CA C 59 54.402 57.804 -3.402 1
1 753 . 2 1 1 A 59 59 LEU CB C 59 43.731 41.431 2.300 1
1 757 . 2 1 1 A 59 59 LEU N N 59 117.463 119.879 -2.416 1
1 758 . 2 1 1 A 60 60 ASP H H 60 8.025 8.073 -0.048 1
1 759 . 2 1 1 A 60 60 ASP HA H 60 4.566 4.679 -0.113 1
1 762 . 2 1 1 A 60 60 ASP C C 60 176.627 176.720 -0.093 1
1 763 . 2 1 1 A 60 60 ASP CA C 60 52.335 52.976 -0.641 1
1 764 . 2 1 1 A 60 60 ASP CB C 60 38.139 39.793 -1.654 1
1 765 . 2 1 1 A 60 60 ASP N N 60 117.588 118.299 -0.711 1
1 766 . 2 1 1 A 61 61 LYS H H 61 8.100 8.141 -0.041 1
1 767 . 2 1 1 A 61 61 LYS HA H 61 4.035 4.118 -0.083 1
1 776 . 2 1 1 A 61 61 LYS C C 61 176.727 177.733 -1.006 1
1 777 . 2 1 1 A 61 61 LYS CA C 61 56.887 58.801 -1.914 1
1 778 . 2 1 1 A 61 61 LYS CB C 61 31.653 32.224 -0.571 1
1 782 . 2 1 1 A 61 61 LYS N N 61 126.943 125.480 1.463 1
1 783 . 2 1 1 A 62 62 ASN H H 62 7.864 7.995 -0.131 1
1 784 . 2 1 1 A 62 62 ASN HA H 62 4.759 4.705 0.054 1
1 789 . 2 1 1 A 62 62 ASN C C 62 173.727 175.685 -1.958 1
1 790 . 2 1 1 A 62 62 ASN CA C 62 50.660 51.946 -1.286 1
1 791 . 2 1 1 A 62 62 ASN CB C 62 35.920 38.003 -2.083 1
1 792 . 2 1 1 A 62 62 ASN N N 62 113.588 113.964 -0.376 1
1 794 . 2 1 1 A 63 63 SER H H 63 7.613 8.060 -0.447 1
1 795 . 2 1 1 A 63 63 SER HA H 63 3.962 4.260 -0.298 1
1 798 . 2 1 1 A 63 63 SER C C 63 172.927 174.847 -1.920 1
1 799 . 2 1 1 A 63 63 SER CA C 63 58.262 59.173 -0.911 1
1 800 . 2 1 1 A 63 63 SER CB C 63 60.708 62.511 -1.803 1
1 801 . 2 1 1 A 63 63 SER N N 63 111.592 114.698 -3.106 1
1 802 . 2 1 1 A 64 64 ASP H H 64 8.217 7.910 0.307 1
1 803 . 2 1 1 A 64 64 ASP HA H 64 4.653 4.510 0.143 1
1 806 . 2 1 1 A 64 64 ASP C C 64 175.927 176.853 -0.926 1
1 807 . 2 1 1 A 64 64 ASP CA C 64 51.641 54.174 -2.533 1
1 808 . 2 1 1 A 64 64 ASP CB C 64 39.385 40.877 -1.492 1
1 809 . 2 1 1 A 64 64 ASP N N 64 118.913 120.793 -1.880 1
1 810 . 2 1 1 A 65 65 GLN H H 65 10.239 8.164 2.075 1
1 811 . 2 1 1 A 65 65 GLN HA H 65 3.356 3.919 -0.563 1
1 818 . 2 1 1 A 65 65 GLN C C 65 172.627 174.518 -1.891 1
1 819 . 2 1 1 A 65 65 GLN CA C 65 56.325 57.464 -1.139 1
1 820 . 2 1 1 A 65 65 GLN CB C 65 24.910 27.838 -2.928 1
1 822 . 2 1 1 A 65 65 GLN N N 65 114.908 117.322 -2.414 1
1 824 . 2 1 1 A 66 66 GLU H H 66 7.710 7.823 -0.113 1
1 825 . 2 1 1 A 66 66 GLU HA H 66 4.691 4.757 -0.066 1
1 830 . 2 1 1 A 66 66 GLU C C 66 174.127 175.391 -1.264 1
1 831 . 2 1 1 A 66 66 GLU CA C 66 52.987 55.311 -2.324 1
1 832 . 2 1 1 A 66 66 GLU CB C 66 32.433 31.787 0.646 1
1 834 . 2 1 1 A 66 66 GLU N N 66 115.721 119.079 -3.358 1
1 835 . 2 1 1 A 67 67 ILE H H 67 9.938 8.673 1.265 1
1 836 . 2 1 1 A 67 67 ILE HA H 67 5.291 4.774 0.517 1
1 846 . 2 1 1 A 67 67 ILE C C 67 175.627 175.231 0.396 1
1 847 . 2 1 1 A 67 67 ILE CA C 67 56.241 60.898 -4.657 1
1 848 . 2 1 1 A 67 67 ILE CB C 67 35.492 37.716 -2.224 1
1 852 . 2 1 1 A 67 67 ILE N N 67 125.901 126.330 -0.429 1
1 853 . 2 1 1 A 68 68 ASP H H 68 8.794 9.015 -0.221 1
1 854 . 2 1 1 A 68 68 ASP HA H 68 5.002 4.710 0.292 1
1 857 . 2 1 1 A 68 68 ASP C C 68 174.427 177.748 -3.321 1
1 858 . 2 1 1 A 68 68 ASP CA C 68 51.563 54.874 -3.311 1
1 859 . 2 1 1 A 68 68 ASP CB C 68 40.493 41.646 -1.153 1
1 860 . 2 1 1 A 68 68 ASP N N 68 127.844 128.876 -1.032 1
1 861 . 2 1 1 A 69 69 PHE H H 69 9.068 9.346 -0.278 1
1 862 . 2 1 1 A 69 69 PHE HA H 69 3.130 4.117 -0.987 1
1 869 . 2 1 1 A 69 69 PHE C C 69 176.827 177.415 -0.588 1
1 870 . 2 1 1 A 69 69 PHE CA C 69 62.478 62.180 0.298 1
1 871 . 2 1 1 A 69 69 PHE CB C 69 38.096 39.795 -1.699 1
1 872 . 2 1 1 A 69 69 PHE N N 69 118.955 123.142 -4.187 1
1 873 . 2 1 1 A 70 70 LYS H H 70 8.123 8.452 -0.329 1
1 874 . 2 1 1 A 70 70 LYS HA H 70 3.871 4.176 -0.305 1
1 883 . 2 1 1 A 70 70 LYS C C 70 179.527 178.858 0.669 1
1 884 . 2 1 1 A 70 70 LYS CA C 70 59.457 58.636 0.821 1
1 885 . 2 1 1 A 70 70 LYS CB C 70 30.772 31.551 -0.779 1
1 889 . 2 1 1 A 70 70 LYS N N 70 120.287 117.733 2.554 1
1 890 . 2 1 1 A 71 71 GLU H H 71 8.746 7.977 0.769 1
1 891 . 2 1 1 A 71 71 GLU HA H 71 4.099 4.165 -0.066 1
1 896 . 2 1 1 A 71 71 GLU C C 71 179.127 178.984 0.143 1
1 897 . 2 1 1 A 71 71 GLU CA C 71 57.934 58.954 -1.020 1
1 898 . 2 1 1 A 71 71 GLU CB C 71 29.266 30.132 -0.866 1
1 900 . 2 1 1 A 71 71 GLU N N 71 122.207 119.432 2.775 1
1 901 . 2 1 1 A 72 72 TYR H H 72 8.879 8.679 0.200 1
1 902 . 2 1 1 A 72 72 TYR HA H 72 4.010 4.344 -0.334 1
1 909 . 2 1 1 A 72 72 TYR C C 72 175.927 178.499 -2.572 1
1 910 . 2 1 1 A 72 72 TYR CA C 72 58.551 61.716 -3.165 1
1 911 . 2 1 1 A 72 72 TYR CB C 72 38.072 38.695 -0.623 1
1 912 . 2 1 1 A 72 72 TYR N N 72 121.813 122.531 -0.718 1
1 913 . 2 1 1 A 73 73 SER H H 73 8.414 8.656 -0.242 1
1 914 . 2 1 1 A 73 73 SER HA H 73 3.462 4.027 -0.565 1
1 917 . 2 1 1 A 73 73 SER C C 73 175.127 177.149 -2.022 1
1 918 . 2 1 1 A 73 73 SER CA C 73 61.876 61.122 0.754 1
1 919 . 2 1 1 A 73 73 SER CB C 73 61.327 63.219 -1.892 1
1 920 . 2 1 1 A 73 73 SER N N 73 117.840 114.228 3.612 1
1 921 . 2 1 1 A 74 74 VAL H H 74 7.363 8.292 -0.929 1
1 922 . 2 1 1 A 74 74 VAL HA H 74 3.584 3.711 -0.127 1
1 930 . 2 1 1 A 74 74 VAL C C 74 178.027 178.222 -0.195 1
1 931 . 2 1 1 A 74 74 VAL CA C 74 65.397 66.221 -0.824 1
1 932 . 2 1 1 A 74 74 VAL CB C 74 30.300 31.846 -1.546 1
1 935 . 2 1 1 A 74 74 VAL N N 74 123.439 121.925 1.514 1
1 936 . 2 1 1 A 75 75 PHE H H 75 7.282 8.423 -1.141 1
1 937 . 2 1 1 A 75 75 PHE HA H 75 4.562 4.152 0.410 1
1 945 . 2 1 1 A 75 75 PHE C C 75 176.127 176.869 -0.742 1
1 946 . 2 1 1 A 75 75 PHE CA C 75 57.851 61.203 -3.352 1
1 947 . 2 1 1 A 75 75 PHE CB C 75 36.863 39.035 -2.172 1
1 948 . 2 1 1 A 75 75 PHE N N 75 122.766 120.805 1.961 1
1 949 . 2 1 1 A 76 76 LEU H H 76 7.823 8.502 -0.679 1
1 950 . 2 1 1 A 76 76 LEU HA H 76 3.445 3.578 -0.133 1
1 960 . 2 1 1 A 76 76 LEU C C 76 178.927 179.492 -0.565 1
1 961 . 2 1 1 A 76 76 LEU CA C 76 56.891 57.658 -0.767 1
1 962 . 2 1 1 A 76 76 LEU CB C 76 39.917 40.832 -0.915 1
1 966 . 2 1 1 A 76 76 LEU N N 76 115.619 119.188 -3.569 1
1 967 . 2 1 1 A 77 77 THR H H 77 7.858 8.209 -0.351 1
1 968 . 2 1 1 A 77 77 THR HA H 77 3.665 3.819 -0.154 1
1 974 . 2 1 1 A 77 77 THR C C 77 175.427 176.814 -1.387 1
1 975 . 2 1 1 A 77 77 THR CA C 77 66.127 66.652 -0.525 1
1 976 . 2 1 1 A 77 77 THR CB C 77 67.585 68.322 -0.737 1
1 978 . 2 1 1 A 77 77 THR N N 77 113.417 115.521 -2.104 1
1 979 . 2 1 1 A 78 78 MET H H 78 7.970 8.161 -0.191 1
1 980 . 2 1 1 A 78 78 MET HA H 78 3.935 3.967 -0.032 1
1 988 . 2 1 1 A 78 78 MET C C 78 179.127 178.825 0.302 1
1 989 . 2 1 1 A 78 78 MET CA C 78 58.780 58.863 -0.083 1
1 990 . 2 1 1 A 78 78 MET CB C 78 31.501 32.593 -1.092 1
1 993 . 2 1 1 A 78 78 MET N N 78 122.745 118.052 4.693 1
1 994 . 2 1 1 A 79 79 LEU H H 79 7.898 8.205 -0.307 1
1 995 . 2 1 1 A 79 79 LEU HA H 79 3.870 3.867 0.003 1
1 1005 . 2 1 1 A 79 79 LEU C C 79 178.427 178.437 -0.010 1
1 1006 . 2 1 1 A 79 79 LEU CA C 79 56.843 57.832 -0.989 1
1 1007 . 2 1 1 A 79 79 LEU CB C 79 41.099 41.566 -0.467 1
1 1011 . 2 1 1 A 79 79 LEU N N 79 120.989 119.527 1.462 1
1 1012 . 2 1 1 A 80 80 CYS H H 80 8.400 8.325 0.075 1
1 1013 . 2 1 1 A 80 80 CYS HA H 80 3.830 4.314 -0.484 1
1 1017 . 2 1 1 A 80 80 CYS C C 80 175.927 177.284 -1.357 1
1 1018 . 2 1 1 A 80 80 CYS CA C 80 64.044 62.569 1.475 1
1 1019 . 2 1 1 A 80 80 CYS CB C 80 25.626 27.263 -1.637 1
1 1020 . 2 1 1 A 80 80 CYS N N 80 117.746 118.414 -0.668 1
1 1021 . 2 1 1 A 81 81 MET H H 81 8.295 8.632 -0.337 1
1 1022 . 2 1 1 A 81 81 MET HA H 81 4.023 4.149 -0.126 1
1 1030 . 2 1 1 A 81 81 MET C C 81 177.327 178.295 -0.968 1
1 1031 . 2 1 1 A 81 81 MET CA C 81 57.601 59.012 -1.411 1
1 1032 . 2 1 1 A 81 81 MET CB C 81 30.668 32.890 -2.222 1
1 1035 . 2 1 1 A 81 81 MET N N 81 117.598 119.147 -1.549 1
1 1036 . 2 1 1 A 82 82 ALA H H 82 7.624 7.862 -0.238 1
1 1037 . 2 1 1 A 82 82 ALA HA H 82 4.061 4.059 0.002 1
1 1041 . 2 1 1 A 82 82 ALA C C 82 179.627 179.452 0.175 1
1 1042 . 2 1 1 A 82 82 ALA CA C 82 53.856 55.280 -1.424 1
1 1043 . 2 1 1 A 82 82 ALA CB C 82 16.794 18.233 -1.439 1
1 1044 . 2 1 1 A 82 82 ALA N N 82 121.886 121.496 0.390 1
1 1045 . 2 1 1 A 83 83 TYR H H 83 8.476 7.787 0.689 1
1 1046 . 2 1 1 A 83 83 TYR HA H 83 4.147 4.359 -0.212 1
1 1053 . 2 1 1 A 83 83 TYR C C 83 178.127 178.295 -0.168 1
1 1054 . 2 1 1 A 83 83 TYR CA C 83 60.066 61.324 -1.258 1
1 1055 . 2 1 1 A 83 83 TYR CB C 83 36.546 37.453 -0.907 1
1 1056 . 2 1 1 A 83 83 TYR N N 83 119.136 116.382 2.754 1
1 1057 . 2 1 1 A 84 84 ASN H H 84 8.386 8.254 0.132 1
1 1058 . 2 1 1 A 84 84 ASN HA H 84 4.221 4.513 -0.292 1
1 1063 . 2 1 1 A 84 84 ASN C C 84 175.427 177.374 -1.947 1
1 1064 . 2 1 1 A 84 84 ASN CA C 84 56.123 56.942 -0.819 1
1 1065 . 2 1 1 A 84 84 ASN CB C 84 37.387 38.683 -1.296 1
1 1066 . 2 1 1 A 84 84 ASN N N 84 120.692 119.750 0.942 1
1 1068 . 2 1 1 A 85 85 ASP H H 85 7.611 7.568 0.043 1
1 1069 . 2 1 1 A 85 85 ASP HA H 85 4.234 4.445 -0.211 1
1 1072 . 2 1 1 A 85 85 ASP C C 85 178.227 178.533 -0.306 1
1 1073 . 2 1 1 A 85 85 ASP CA C 85 56.752 57.275 -0.523 1
1 1074 . 2 1 1 A 85 85 ASP CB C 85 38.688 40.713 -2.025 1
1 1075 . 2 1 1 A 85 85 ASP N N 85 118.378 119.453 -1.075 1
1 1076 . 2 1 1 A 86 86 PHE H H 86 7.538 8.216 -0.678 1
1 1077 . 2 1 1 A 86 86 PHE HA H 86 4.291 4.253 0.038 1
1 1084 . 2 1 1 A 86 86 PHE C C 86 176.627 177.861 -1.234 1
1 1085 . 2 1 1 A 86 86 PHE CA C 86 58.743 61.564 -2.821 1
1 1086 . 2 1 1 A 86 86 PHE CB C 86 37.488 39.293 -1.805 1
1 1087 . 2 1 1 A 86 86 PHE N N 86 118.712 120.561 -1.849 1
1 1088 . 2 1 1 A 87 87 PHE H H 87 8.132 8.305 -0.173 1
1 1089 . 2 1 1 A 87 87 PHE HA H 87 3.906 4.178 -0.272 1
1 1096 . 2 1 1 A 87 87 PHE C C 87 176.627 177.317 -0.690 1
1 1097 . 2 1 1 A 87 87 PHE CA C 87 59.554 61.155 -1.601 1
1 1098 . 2 1 1 A 87 87 PHE CB C 87 38.017 39.402 -1.385 1
1 1099 . 2 1 1 A 87 87 PHE N N 87 121.649 120.242 1.407 1
1 1100 . 2 1 1 A 88 88 LEU H H 88 7.953 7.753 0.200 1
1 1101 . 2 1 1 A 88 88 LEU HA H 88 3.775 4.052 -0.277 1
1 1111 . 2 1 1 A 88 88 LEU C C 88 177.627 177.686 -0.059 1
1 1112 . 2 1 1 A 88 88 LEU CA C 88 55.078 56.717 -1.639 1
1 1113 . 2 1 1 A 88 88 LEU CB C 88 41.226 41.717 -0.491 1
1 1117 . 2 1 1 A 88 88 LEU N N 88 118.897 119.034 -0.137 1
1 1118 . 2 1 1 A 89 89 GLU H H 89 7.475 7.693 -0.218 1
1 1119 . 2 1 1 A 89 89 GLU HA H 89 3.914 4.248 -0.334 1
1 1124 . 2 1 1 A 89 89 GLU C C 89 176.127 177.086 -0.959 1
1 1125 . 2 1 1 A 89 89 GLU CA C 89 56.926 57.232 -0.306 1
1 1126 . 2 1 1 A 89 89 GLU CB C 89 28.567 29.753 -1.186 1
1 1128 . 2 1 1 A 89 89 GLU N N 89 119.332 118.663 0.669 1
1 1129 . 2 1 1 A 90 90 ASP H H 90 7.750 8.160 -0.410 1
1 1130 . 2 1 1 A 90 90 ASP HA H 90 4.370 4.695 -0.325 1
1 1133 . 2 1 1 A 90 90 ASP C C 90 175.227 178.207 -2.980 1
1 1134 . 2 1 1 A 90 90 ASP CA C 90 53.593 55.925 -2.332 1
1 1135 . 2 1 1 A 90 90 ASP CB C 90 40.323 41.632 -1.309 1
1 1136 . 2 1 1 A 90 90 ASP N N 90 118.945 120.579 -1.634 1
1 1137 . 2 1 1 A 91 91 ASN H H 91 7.681 7.682 -0.001 1
1 1138 . 2 1 1 A 91 91 ASN HA H 91 4.495 4.602 -0.107 1
1 1143 . 2 1 1 A 91 91 ASN C C 91 173.027 175.823 -2.796 1
1 1144 . 2 1 1 A 91 91 ASN CA C 91 52.041 54.318 -2.277 1
1 1145 . 2 1 1 A 91 91 ASN CB C 91 38.072 38.066 0.006 1
1 1146 . 2 1 1 A 91 91 ASN N N 91 118.171 116.707 1.464 1
1 10 . 3 1 1 A 2 2 GLU H H 2 8.776 8.994 -0.218 1
1 11 . 3 1 1 A 2 2 GLU HA H 2 4.535 5.171 -0.636 1
1 16 . 3 1 1 A 2 2 GLU C C 2 175.627 176.613 -0.986 1
1 17 . 3 1 1 A 2 2 GLU CA C 2 55.573 54.384 1.189 1
1 18 . 3 1 1 A 2 2 GLU CB C 2 30.569 33.633 -3.064 1
1 20 . 3 1 1 A 2 2 GLU N N 2 124.305 122.725 1.580 1
1 21 . 3 1 1 A 3 3 THR H H 3 8.835 9.012 -0.177 1
1 22 . 3 1 1 A 3 3 THR HA H 3 4.608 4.839 -0.231 1
1 27 . 3 1 1 A 3 3 THR CA C 3 59.187 60.361 -1.174 1
1 28 . 3 1 1 A 3 3 THR CB C 3 67.385 68.922 -1.537 1
1 30 . 3 1 1 A 3 3 THR N N 3 116.176 116.204 -0.028 1
1 31 . 3 1 1 A 4 4 PRO HA H 4 4.158 4.372 -0.214 1
1 38 . 3 1 1 A 4 4 PRO C C 4 179.327 177.705 1.622 1
1 39 . 3 1 1 A 4 4 PRO CA C 4 65.040 65.443 -0.403 1
1 40 . 3 1 1 A 4 4 PRO CB C 4 30.616 31.819 -1.203 1
1 43 . 3 1 1 A 5 5 LEU H H 5 8.794 7.685 1.109 1
1 44 . 3 1 1 A 5 5 LEU HA H 5 3.944 4.000 -0.056 1
1 54 . 3 1 1 A 5 5 LEU C C 5 177.327 178.381 -1.054 1
1 55 . 3 1 1 A 5 5 LEU CA C 5 56.920 57.322 -0.402 1
1 56 . 3 1 1 A 5 5 LEU CB C 5 41.139 41.889 -0.750 1
1 60 . 3 1 1 A 5 5 LEU N N 5 118.892 117.689 1.203 1
1 61 . 3 1 1 A 6 6 GLU H H 6 7.664 7.821 -0.157 1
1 62 . 3 1 1 A 6 6 GLU HA H 6 3.744 3.951 -0.207 1
1 67 . 3 1 1 A 6 6 GLU C C 6 178.827 179.542 -0.715 1
1 68 . 3 1 1 A 6 6 GLU CA C 6 59.347 59.679 -0.332 1
1 69 . 3 1 1 A 6 6 GLU CB C 6 28.700 29.278 -0.578 1
1 71 . 3 1 1 A 6 6 GLU N N 6 118.741 119.116 -0.375 1
1 72 . 3 1 1 A 7 7 LYS H H 7 8.435 8.308 0.127 1
1 73 . 3 1 1 A 7 7 LYS HA H 7 3.909 4.102 -0.193 1
1 82 . 3 1 1 A 7 7 LYS C C 7 178.527 178.650 -0.123 1
1 83 . 3 1 1 A 7 7 LYS CA C 7 58.539 59.192 -0.653 1
1 84 . 3 1 1 A 7 7 LYS CB C 7 31.217 32.373 -1.156 1
1 88 . 3 1 1 A 7 7 LYS N N 7 119.285 120.237 -0.952 1
1 89 . 3 1 1 A 8 8 ALA H H 8 8.008 7.914 0.094 1
1 90 . 3 1 1 A 8 8 ALA HA H 8 4.038 4.089 -0.051 1
1 94 . 3 1 1 A 8 8 ALA C C 8 178.327 179.696 -1.369 1
1 95 . 3 1 1 A 8 8 ALA CA C 8 54.356 55.156 -0.800 1
1 96 . 3 1 1 A 8 8 ALA CB C 8 17.509 18.616 -1.107 1
1 97 . 3 1 1 A 8 8 ALA N N 8 123.866 121.609 2.257 1
1 98 . 3 1 1 A 9 9 LEU H H 9 8.163 8.052 0.111 1
1 99 . 3 1 1 A 9 9 LEU HA H 9 3.809 3.932 -0.123 1
1 109 . 3 1 1 A 9 9 LEU C C 9 178.527 179.036 -0.509 1
1 110 . 3 1 1 A 9 9 LEU CA C 9 57.256 57.814 -0.558 1
1 111 . 3 1 1 A 9 9 LEU CB C 9 40.483 41.101 -0.618 1
1 115 . 3 1 1 A 9 9 LEU N N 9 119.134 117.451 1.683 1
1 116 . 3 1 1 A 10 10 THR H H 10 8.186 8.307 -0.121 1
1 117 . 3 1 1 A 10 10 THR HA H 10 3.741 3.985 -0.244 1
1 122 . 3 1 1 A 10 10 THR C C 10 176.727 176.265 0.462 1
1 123 . 3 1 1 A 10 10 THR CA C 10 66.345 66.778 -0.433 1
1 124 . 3 1 1 A 10 10 THR CB C 10 67.558 68.711 -1.153 1
1 126 . 3 1 1 A 10 10 THR N N 10 114.355 114.901 -0.546 1
1 127 . 3 1 1 A 11 11 THR H H 11 8.387 8.157 0.230 1
1 128 . 3 1 1 A 11 11 THR HA H 11 3.963 3.954 0.009 1
1 133 . 3 1 1 A 11 11 THR C C 11 176.827 176.820 0.007 1
1 134 . 3 1 1 A 11 11 THR CA C 11 65.801 66.956 -1.155 1
1 135 . 3 1 1 A 11 11 THR CB C 11 67.140 68.171 -1.031 1
1 137 . 3 1 1 A 11 11 THR N N 11 120.801 116.556 4.245 1
1 138 . 3 1 1 A 12 12 MET H H 12 8.299 8.023 0.276 1
1 139 . 3 1 1 A 12 12 MET HA H 12 3.872 4.219 -0.347 1
1 147 . 3 1 1 A 12 12 MET C C 12 177.827 178.412 -0.585 1
1 148 . 3 1 1 A 12 12 MET CA C 12 59.263 58.394 0.869 1
1 149 . 3 1 1 A 12 12 MET CB C 12 31.845 32.663 -0.818 1
1 152 . 3 1 1 A 12 12 MET N N 12 124.102 118.472 5.630 1
1 153 . 3 1 1 A 13 13 VAL H H 13 7.820 8.188 -0.368 1
1 154 . 3 1 1 A 13 13 VAL HA H 13 3.937 4.094 -0.157 1
1 162 . 3 1 1 A 13 13 VAL C C 13 177.127 178.185 -1.058 1
1 163 . 3 1 1 A 13 13 VAL CA C 13 65.677 66.214 -0.537 1
1 164 . 3 1 1 A 13 13 VAL CB C 13 31.656 31.494 0.162 1
1 167 . 3 1 1 A 13 13 VAL N N 13 119.838 116.380 3.458 1
1 168 . 3 1 1 A 14 14 THR H H 14 9.107 8.253 0.854 1
1 169 . 3 1 1 A 14 14 THR HA H 14 3.654 4.072 -0.418 1
1 174 . 3 1 1 A 14 14 THR C C 14 177.527 177.079 0.448 1
1 175 . 3 1 1 A 14 14 THR CA C 14 65.273 66.290 -1.017 1
1 176 . 3 1 1 A 14 14 THR CB C 14 67.652 68.859 -1.207 1
1 178 . 3 1 1 A 14 14 THR N N 14 112.247 116.197 -3.950 1
1 179 . 3 1 1 A 15 15 THR H H 15 8.189 8.025 0.164 1
1 180 . 3 1 1 A 15 15 THR HA H 15 3.864 4.231 -0.367 1
1 186 . 3 1 1 A 15 15 THR C C 15 173.627 176.775 -3.148 1
1 187 . 3 1 1 A 15 15 THR CA C 15 66.930 65.810 1.120 1
1 188 . 3 1 1 A 15 15 THR CB C 15 66.539 68.381 -1.842 1
1 190 . 3 1 1 A 15 15 THR N N 15 117.691 114.078 3.613 1
1 191 . 3 1 1 A 16 16 PHE H H 16 6.850 8.508 -1.658 1
1 192 . 3 1 1 A 16 16 PHE HA H 16 3.417 3.974 -0.557 1
1 199 . 3 1 1 A 16 16 PHE C C 16 175.627 177.552 -1.925 1
1 200 . 3 1 1 A 16 16 PHE CA C 16 61.577 61.887 -0.310 1
1 201 . 3 1 1 A 16 16 PHE CB C 16 38.177 38.949 -0.772 1
1 202 . 3 1 1 A 16 16 PHE N N 16 120.169 122.658 -2.489 1
1 203 . 3 1 1 A 17 17 HIS H H 17 6.924 8.257 -1.333 1
1 204 . 3 1 1 A 17 17 HIS HA H 17 4.755 4.288 0.467 1
1 207 . 3 1 1 A 17 17 HIS C C 17 176.227 177.772 -1.545 1
1 208 . 3 1 1 A 17 17 HIS CA C 17 56.810 59.672 -2.862 1
1 209 . 3 1 1 A 17 17 HIS CB C 17 29.597 30.270 -0.673 1
1 210 . 3 1 1 A 17 17 HIS N N 17 115.499 117.597 -2.098 1
1 211 . 3 1 1 A 18 18 LYS H H 18 7.888 7.868 0.020 1
1 212 . 3 1 1 A 18 18 LYS HA H 18 3.870 4.093 -0.223 1
1 221 . 3 1 1 A 18 18 LYS C C 18 176.927 176.733 0.194 1
1 222 . 3 1 1 A 18 18 LYS CA C 18 57.897 58.704 -0.807 1
1 223 . 3 1 1 A 18 18 LYS CB C 18 31.582 32.172 -0.590 1
1 227 . 3 1 1 A 18 18 LYS N N 18 121.217 119.399 1.818 1
1 228 . 3 1 1 A 19 19 TYR H H 19 6.928 7.635 -0.707 1
1 229 . 3 1 1 A 19 19 TYR HA H 19 4.163 4.495 -0.332 1
1 234 . 3 1 1 A 19 19 TYR C C 19 175.027 177.618 -2.591 1
1 235 . 3 1 1 A 19 19 TYR CA C 19 59.335 59.408 -0.073 1
1 236 . 3 1 1 A 19 19 TYR CB C 19 39.515 39.533 -0.018 1
1 237 . 3 1 1 A 19 19 TYR N N 19 114.488 117.740 -3.252 1
1 238 . 3 1 1 A 20 20 SER H H 20 8.021 8.546 -0.525 1
1 239 . 3 1 1 A 20 20 SER HA H 20 3.105 4.057 -0.952 1
1 242 . 3 1 1 A 20 20 SER C C 20 176.527 176.831 -0.304 1
1 243 . 3 1 1 A 20 20 SER CA C 20 60.457 60.662 -0.205 1
1 244 . 3 1 1 A 20 20 SER CB C 20 60.326 62.551 -2.225 1
1 245 . 3 1 1 A 20 20 SER N N 20 112.624 115.267 -2.643 1
1 246 . 3 1 1 A 21 21 GLY H H 21 7.908 8.254 -0.346 1
1 247 . 3 1 1 A 21 21 GLY HA2 H 21 4.197 3.863 0.334 1
1 248 . 3 1 1 A 21 21 GLY HA3 H 21 3.761 3.954 -0.193 1
1 249 . 3 1 1 A 21 21 GLY C C 21 173.027 174.698 -1.671 1
1 250 . 3 1 1 A 21 21 GLY CA C 21 44.357 45.849 -1.492 1
1 251 . 3 1 1 A 21 21 GLY N N 21 112.095 107.231 4.864 1
1 252 . 3 1 1 A 22 22 ARG H H 22 7.470 7.423 0.047 1
1 253 . 3 1 1 A 22 22 ARG HA H 22 3.956 4.453 -0.497 1
1 260 . 3 1 1 A 22 22 ARG C C 22 176.327 175.629 0.698 1
1 261 . 3 1 1 A 22 22 ARG CA C 22 58.189 54.721 3.468 1
1 262 . 3 1 1 A 22 22 ARG CB C 22 29.483 28.284 1.199 1
1 265 . 3 1 1 A 22 22 ARG N N 22 122.481 119.219 3.262 1
1 266 . 3 1 1 A 23 23 GLU H H 23 9.412 8.387 1.025 1
1 267 . 3 1 1 A 23 23 GLU HA H 23 4.626 4.042 0.584 1
1 272 . 3 1 1 A 23 23 GLU C C 23 175.027 176.137 -1.110 1
1 273 . 3 1 1 A 23 23 GLU CA C 23 53.319 58.414 -5.095 1
1 274 . 3 1 1 A 23 23 GLU CB C 23 32.032 28.243 3.789 1
1 276 . 3 1 1 A 23 23 GLU N N 23 116.123 115.683 0.440 1
1 277 . 3 1 1 A 24 24 GLY H H 24 9.080 8.666 0.414 1
1 278 . 3 1 1 A 24 24 GLY HA2 H 24 3.694 3.805 -0.111 1
1 279 . 3 1 1 A 24 24 GLY HA3 H 24 3.878 3.899 -0.021 1
1 280 . 3 1 1 A 24 24 GLY C C 24 172.827 173.680 -0.853 1
1 281 . 3 1 1 A 24 24 GLY CA C 24 44.707 45.766 -1.059 1
1 282 . 3 1 1 A 24 24 GLY N N 24 114.015 109.830 4.185 1
1 283 . 3 1 1 A 25 25 SER H H 25 8.465 8.517 -0.052 1
1 284 . 3 1 1 A 25 25 SER HA H 25 4.312 4.673 -0.361 1
1 287 . 3 1 1 A 25 25 SER C C 25 178.027 173.444 4.583 1
1 288 . 3 1 1 A 25 25 SER CA C 25 57.478 58.916 -1.438 1
1 289 . 3 1 1 A 25 25 SER CB C 25 61.941 64.437 -2.496 1
1 290 . 3 1 1 A 25 25 SER N N 25 117.299 117.658 -0.359 1
1 291 . 3 1 1 A 26 26 LYS H H 26 9.532 8.547 0.985 1
1 292 . 3 1 1 A 26 26 LYS HA H 26 4.660 4.798 -0.138 1
1 301 . 3 1 1 A 26 26 LYS C C 26 176.127 176.576 -0.449 1
1 302 . 3 1 1 A 26 26 LYS CA C 26 56.928 55.086 1.842 1
1 303 . 3 1 1 A 26 26 LYS CB C 26 30.526 34.572 -4.046 1
1 307 . 3 1 1 A 26 26 LYS N N 26 131.209 121.897 9.312 1
1 308 . 3 1 1 A 27 27 LEU H H 27 8.643 8.733 -0.090 1
1 309 . 3 1 1 A 27 27 LEU HA H 27 4.583 4.469 0.114 1
1 319 . 3 1 1 A 27 27 LEU C C 27 174.827 175.818 -0.991 1
1 320 . 3 1 1 A 27 27 LEU CA C 27 53.205 57.349 -4.144 1
1 321 . 3 1 1 A 27 27 LEU CB C 27 41.824 40.477 1.347 1
1 325 . 3 1 1 A 27 27 LEU N N 27 118.729 119.677 -0.948 1
1 326 . 3 1 1 A 28 28 THR H H 28 7.037 7.706 -0.669 1
1 327 . 3 1 1 A 28 28 THR HA H 28 5.168 5.363 -0.195 1
1 332 . 3 1 1 A 28 28 THR C C 28 172.727 173.631 -0.904 1
1 333 . 3 1 1 A 28 28 THR CA C 28 57.915 59.717 -1.802 1
1 334 . 3 1 1 A 28 28 THR CB C 28 71.934 72.168 -0.234 1
1 336 . 3 1 1 A 28 28 THR N N 28 104.663 111.914 -7.251 1
1 337 . 3 1 1 A 29 29 LEU H H 29 9.517 9.024 0.493 1
1 338 . 3 1 1 A 29 29 LEU HA H 29 5.196 4.858 0.338 1
1 348 . 3 1 1 A 29 29 LEU C C 29 175.527 176.099 -0.572 1
1 349 . 3 1 1 A 29 29 LEU CA C 29 51.653 53.449 -1.796 1
1 350 . 3 1 1 A 29 29 LEU CB C 29 42.301 43.201 -0.900 1
1 354 . 3 1 1 A 29 29 LEU N N 29 125.388 123.234 2.154 1
1 355 . 3 1 1 A 30 30 SER H H 30 10.053 9.044 1.009 1
1 356 . 3 1 1 A 30 30 SER HA H 30 4.475 4.720 -0.245 1
1 359 . 3 1 1 A 30 30 SER C C 30 173.427 175.382 -1.955 1
1 360 . 3 1 1 A 30 30 SER CA C 30 55.011 57.641 -2.630 1
1 361 . 3 1 1 A 30 30 SER CB C 30 64.446 63.979 0.467 1
1 362 . 3 1 1 A 30 30 SER N N 30 121.114 120.059 1.055 1
1 363 . 3 1 1 A 31 31 ARG H H 31 8.992 8.874 0.118 1
1 364 . 3 1 1 A 31 31 ARG HA H 31 3.923 3.928 -0.005 1
1 371 . 3 1 1 A 31 31 ARG C C 31 177.027 177.758 -0.731 1
1 372 . 3 1 1 A 31 31 ARG CA C 31 59.408 59.881 -0.473 1
1 373 . 3 1 1 A 31 31 ARG CB C 31 29.041 30.157 -1.116 1
1 376 . 3 1 1 A 31 31 ARG N N 31 120.513 126.668 -6.155 1
1 377 . 3 1 1 A 32 32 LYS H H 32 7.845 7.960 -0.115 1
1 378 . 3 1 1 A 32 32 LYS HA H 32 3.826 4.074 -0.248 1
1 387 . 3 1 1 A 32 32 LYS C C 32 178.927 179.367 -0.440 1
1 388 . 3 1 1 A 32 32 LYS CA C 32 58.677 59.190 -0.513 1
1 389 . 3 1 1 A 32 32 LYS CB C 32 31.964 31.620 0.344 1
1 393 . 3 1 1 A 32 32 LYS N N 32 117.011 119.055 -2.044 1
1 394 . 3 1 1 A 33 33 GLU H H 33 7.612 8.181 -0.569 1
1 395 . 3 1 1 A 33 33 GLU HA H 33 3.954 4.089 -0.135 1
1 400 . 3 1 1 A 33 33 GLU C C 33 177.227 178.902 -1.675 1
1 401 . 3 1 1 A 33 33 GLU CA C 33 58.289 58.892 -0.603 1
1 402 . 3 1 1 A 33 33 GLU CB C 33 29.757 29.361 0.396 1
1 404 . 3 1 1 A 33 33 GLU N N 33 120.815 119.262 1.553 1
1 405 . 3 1 1 A 34 34 LEU H H 34 8.694 7.881 0.813 1
1 406 . 3 1 1 A 34 34 LEU HA H 34 3.811 4.017 -0.206 1
1 416 . 3 1 1 A 34 34 LEU C C 34 176.927 178.500 -1.573 1
1 417 . 3 1 1 A 34 34 LEU CA C 34 57.025 57.984 -0.959 1
1 418 . 3 1 1 A 34 34 LEU CB C 34 40.638 41.572 -0.934 1
1 422 . 3 1 1 A 34 34 LEU N N 34 119.291 121.772 -2.481 1
1 423 . 3 1 1 A 35 35 LYS H H 35 8.114 8.029 0.085 1
1 424 . 3 1 1 A 35 35 LYS HA H 35 3.569 3.948 -0.379 1
1 433 . 3 1 1 A 35 35 LYS C C 35 177.027 178.154 -1.127 1
1 434 . 3 1 1 A 35 35 LYS CA C 35 59.419 59.182 0.237 1
1 435 . 3 1 1 A 35 35 LYS CB C 35 31.271 32.031 -0.760 1
1 439 . 3 1 1 A 35 35 LYS N N 35 117.277 118.694 -1.417 1
1 440 . 3 1 1 A 36 36 GLU H H 36 7.560 7.780 -0.220 1
1 441 . 3 1 1 A 36 36 GLU HA H 36 3.845 4.204 -0.359 1
1 446 . 3 1 1 A 36 36 GLU C C 36 175.827 178.923 -3.096 1
1 447 . 3 1 1 A 36 36 GLU CA C 36 58.190 59.067 -0.877 1
1 448 . 3 1 1 A 36 36 GLU CB C 36 28.253 29.239 -0.986 1
1 450 . 3 1 1 A 36 36 GLU N N 36 119.302 118.644 0.658 1
1 451 . 3 1 1 A 37 37 LEU H H 37 7.682 7.948 -0.266 1
1 452 . 3 1 1 A 37 37 LEU HA H 37 2.280 3.845 -1.565 1
1 462 . 3 1 1 A 37 37 LEU C C 37 178.327 178.449 -0.122 1
1 463 . 3 1 1 A 37 37 LEU CA C 37 58.225 57.945 0.280 1
1 464 . 3 1 1 A 37 37 LEU CB C 37 41.090 41.627 -0.537 1
1 468 . 3 1 1 A 37 37 LEU N N 37 121.690 120.577 1.113 1
1 469 . 3 1 1 A 38 38 ILE H H 38 8.157 8.184 -0.027 1
1 470 . 3 1 1 A 38 38 ILE HA H 38 3.292 3.883 -0.591 1
1 480 . 3 1 1 A 38 38 ILE C C 38 177.027 178.298 -1.271 1
1 481 . 3 1 1 A 38 38 ILE CA C 38 65.007 65.642 -0.635 1
1 482 . 3 1 1 A 38 38 ILE CB C 38 37.187 37.909 -0.722 1
1 486 . 3 1 1 A 38 38 ILE N N 38 117.626 120.473 -2.847 1
1 487 . 3 1 1 A 39 39 LYS H H 39 8.068 8.371 -0.303 1
1 488 . 3 1 1 A 39 39 LYS HA H 39 3.876 4.467 -0.591 1
1 497 . 3 1 1 A 39 39 LYS C C 39 177.927 177.098 0.829 1
1 498 . 3 1 1 A 39 39 LYS CA C 39 58.204 58.051 0.153 1
1 499 . 3 1 1 A 39 39 LYS CB C 39 31.731 31.651 0.080 1
1 503 . 3 1 1 A 39 39 LYS N N 39 117.909 120.383 -2.474 1
1 504 . 3 1 1 A 40 40 LYS H H 40 8.094 7.853 0.241 1
1 505 . 3 1 1 A 40 40 LYS HA H 40 4.248 4.463 -0.215 1
1 514 . 3 1 1 A 40 40 LYS C C 40 178.227 178.507 -0.280 1
1 515 . 3 1 1 A 40 40 LYS CA C 40 56.291 56.799 -0.508 1
1 516 . 3 1 1 A 40 40 LYS CB C 40 32.652 33.189 -0.537 1
1 520 . 3 1 1 A 40 40 LYS N N 40 114.323 118.699 -4.376 1
1 521 . 3 1 1 A 41 41 GLU H H 41 8.381 8.322 0.059 1
1 522 . 3 1 1 A 41 41 GLU HA H 41 4.744 4.163 0.581 1
1 527 . 3 1 1 A 41 41 GLU C C 41 176.227 175.936 0.291 1
1 528 . 3 1 1 A 41 41 GLU CA C 41 55.054 58.779 -3.725 1
1 529 . 3 1 1 A 41 41 GLU CB C 41 29.598 30.668 -1.070 1
1 531 . 3 1 1 A 41 41 GLU N N 41 113.079 119.100 -6.021 1
1 532 . 3 1 1 A 42 42 LEU H H 42 7.544 8.482 -0.938 1
1 533 . 3 1 1 A 42 42 LEU HA H 42 4.754 4.774 -0.020 1
1 542 . 3 1 1 A 42 42 LEU CA C 42 52.564 53.836 -1.272 1
1 543 . 3 1 1 A 42 42 LEU CB C 42 43.848 43.257 0.591 1
1 546 . 3 1 1 A 42 42 LEU N N 42 118.458 118.832 -0.374 1
1 547 . 3 1 1 A 43 43 CYS H H 43 8.342 8.808 -0.466 1
1 548 . 3 1 1 A 43 43 CYS HA H 43 4.486 4.875 -0.389 1
1 551 . 3 1 1 A 43 43 CYS C C 43 174.327 173.800 0.527 1
1 552 . 3 1 1 A 43 43 CYS CA C 43 57.655 58.496 -0.841 1
1 553 . 3 1 1 A 43 43 CYS CB C 43 25.653 28.524 -2.871 1
1 554 . 3 1 1 A 44 44 LEU H H 44 8.123 7.630 0.493 1
1 555 . 3 1 1 A 44 44 LEU HA H 44 4.339 4.818 -0.479 1
1 565 . 3 1 1 A 44 44 LEU C C 44 176.927 176.461 0.466 1
1 566 . 3 1 1 A 44 44 LEU CA C 44 53.750 52.836 0.914 1
1 567 . 3 1 1 A 44 44 LEU CB C 44 40.784 45.517 -4.733 1
1 571 . 3 1 1 A 44 44 LEU N N 44 121.974 118.042 3.932 1
1 572 . 3 1 1 A 45 45 GLY H H 45 8.072 8.559 -0.487 1
1 573 . 3 1 1 A 45 45 GLY HA2 H 45 3.889 3.948 -0.059 1
1 574 . 3 1 1 A 45 45 GLY HA3 H 45 3.698 4.062 -0.364 1
1 575 . 3 1 1 A 45 45 GLY C C 45 173.127 173.635 -0.508 1
1 576 . 3 1 1 A 45 45 GLY CA C 45 44.291 44.493 -0.202 1
1 577 . 3 1 1 A 45 45 GLY N N 45 107.819 108.183 -0.364 1
1 578 . 3 1 1 A 46 46 GLU H H 46 8.472 8.514 -0.042 1
1 579 . 3 1 1 A 46 46 GLU HA H 46 4.048 4.438 -0.390 1
1 584 . 3 1 1 A 46 46 GLU C C 46 175.727 176.063 -0.336 1
1 585 . 3 1 1 A 46 46 GLU CA C 46 56.461 55.234 1.227 1
1 586 . 3 1 1 A 46 46 GLU CB C 46 28.208 27.814 0.394 1
1 588 . 3 1 1 A 46 46 GLU N N 46 120.563 121.185 -0.622 1
1 589 . 3 1 1 A 47 47 MET H H 47 8.189 8.118 0.071 1
1 590 . 3 1 1 A 47 47 MET HA H 47 4.413 4.529 -0.116 1
1 598 . 3 1 1 A 47 47 MET C C 47 175.027 174.633 0.394 1
1 599 . 3 1 1 A 47 47 MET CA C 47 53.905 54.386 -0.481 1
1 600 . 3 1 1 A 47 47 MET CB C 47 32.611 31.082 1.529 1
1 603 . 3 1 1 A 47 47 MET N N 47 123.201 123.604 -0.403 1
1 604 . 3 1 1 A 48 48 LYS H H 48 8.355 7.386 0.969 1
1 605 . 3 1 1 A 48 48 LYS HA H 48 4.237 4.664 -0.427 1
1 614 . 3 1 1 A 48 48 LYS C C 48 177.027 177.947 -0.920 1
1 615 . 3 1 1 A 48 48 LYS CA C 48 55.443 54.688 0.755 1
1 616 . 3 1 1 A 48 48 LYS CB C 48 32.173 34.545 -2.372 1
1 620 . 3 1 1 A 48 48 LYS N N 48 123.046 122.882 0.164 1
1 621 . 3 1 1 A 49 49 GLU H H 49 8.742 8.741 0.001 1
1 622 . 3 1 1 A 49 49 GLU HA H 49 3.884 3.997 -0.113 1
1 627 . 3 1 1 A 49 49 GLU C C 49 177.727 178.083 -0.356 1
1 628 . 3 1 1 A 49 49 GLU CA C 49 58.534 59.791 -1.257 1
1 629 . 3 1 1 A 49 49 GLU CB C 49 27.870 29.201 -1.331 1
1 631 . 3 1 1 A 49 49 GLU N N 49 122.407 121.868 0.539 1
1 632 . 3 1 1 A 50 50 SER H H 50 8.324 8.124 0.200 1
1 633 . 3 1 1 A 50 50 SER HA H 50 4.188 4.363 -0.175 1
1 636 . 3 1 1 A 50 50 SER C C 50 175.427 175.746 -0.319 1
1 637 . 3 1 1 A 50 50 SER CA C 50 59.402 59.442 -0.040 1
1 638 . 3 1 1 A 50 50 SER CB C 50 61.442 62.505 -1.063 1
1 639 . 3 1 1 A 50 50 SER N N 50 112.475 115.655 -3.180 1
1 640 . 3 1 1 A 51 51 SER H H 51 7.400 8.092 -0.692 1
1 641 . 3 1 1 A 51 51 SER HA H 51 3.926 4.801 -0.875 1
1 644 . 3 1 1 A 51 51 SER C C 51 176.027 176.325 -0.298 1
1 645 . 3 1 1 A 51 51 SER CA C 51 59.762 59.579 0.183 1
1 646 . 3 1 1 A 51 51 SER CB C 51 60.955 65.094 -4.139 1
1 647 . 3 1 1 A 51 51 SER N N 51 118.432 115.229 3.203 1
1 648 . 3 1 1 A 52 52 ILE H H 52 7.790 8.216 -0.426 1
1 649 . 3 1 1 A 52 52 ILE HA H 52 3.642 3.742 -0.100 1
1 659 . 3 1 1 A 52 52 ILE C C 52 176.427 177.995 -1.568 1
1 660 . 3 1 1 A 52 52 ILE CA C 52 61.984 65.043 -3.059 1
1 661 . 3 1 1 A 52 52 ILE CB C 52 34.990 37.463 -2.473 1
1 665 . 3 1 1 A 52 52 ILE N N 52 123.838 120.990 2.848 1
1 666 . 3 1 1 A 53 53 ASP H H 53 8.092 8.413 -0.321 1
1 667 . 3 1 1 A 53 53 ASP HA H 53 4.225 4.294 -0.069 1
1 670 . 3 1 1 A 53 53 ASP C C 53 178.227 178.333 -0.106 1
1 671 . 3 1 1 A 53 53 ASP CA C 53 56.606 57.644 -1.038 1
1 672 . 3 1 1 A 53 53 ASP CB C 53 39.034 41.479 -2.445 1
1 673 . 3 1 1 A 53 53 ASP N N 53 121.313 121.672 -0.359 1
1 674 . 3 1 1 A 54 54 ASP H H 54 7.811 8.045 -0.234 1
1 675 . 3 1 1 A 54 54 ASP HA H 54 4.253 4.373 -0.120 1
1 678 . 3 1 1 A 54 54 ASP C C 54 177.927 178.346 -0.419 1
1 679 . 3 1 1 A 54 54 ASP CA C 54 56.467 57.160 -0.693 1
1 680 . 3 1 1 A 54 54 ASP CB C 54 39.401 40.828 -1.427 1
1 681 . 3 1 1 A 54 54 ASP N N 54 120.122 119.814 0.308 1
1 682 . 3 1 1 A 55 55 LEU H H 55 7.789 8.296 -0.507 1
1 683 . 3 1 1 A 55 55 LEU HA H 55 3.979 4.065 -0.086 1
1 693 . 3 1 1 A 55 55 LEU C C 55 178.027 178.477 -0.450 1
1 694 . 3 1 1 A 55 55 LEU CA C 55 56.713 58.191 -1.478 1
1 695 . 3 1 1 A 55 55 LEU CB C 55 40.799 41.517 -0.718 1
1 699 . 3 1 1 A 55 55 LEU N N 55 122.944 121.273 1.671 1
1 700 . 3 1 1 A 56 56 MET H H 56 8.601 8.437 0.164 1
1 701 . 3 1 1 A 56 56 MET HA H 56 3.827 4.001 -0.174 1
1 709 . 3 1 1 A 56 56 MET C C 56 177.027 178.262 -1.235 1
1 710 . 3 1 1 A 56 56 MET CA C 56 57.116 58.537 -1.421 1
1 711 . 3 1 1 A 56 56 MET CB C 56 29.825 31.789 -1.964 1
1 714 . 3 1 1 A 56 56 MET N N 56 117.863 119.239 -1.376 1
1 715 . 3 1 1 A 57 57 LYS H H 57 7.693 7.961 -0.268 1
1 716 . 3 1 1 A 57 57 LYS HA H 57 3.954 4.194 -0.240 1
1 725 . 3 1 1 A 57 57 LYS C C 57 178.127 178.092 0.035 1
1 726 . 3 1 1 A 57 57 LYS CA C 57 58.352 58.846 -0.494 1
1 727 . 3 1 1 A 57 57 LYS CB C 57 31.315 32.009 -0.694 1
1 731 . 3 1 1 A 57 57 LYS N N 57 116.455 119.267 -2.812 1
1 732 . 3 1 1 A 58 58 SER H H 58 7.661 7.948 -0.287 1
1 733 . 3 1 1 A 58 58 SER HA H 58 4.115 4.382 -0.267 1
1 736 . 3 1 1 A 58 58 SER C C 58 174.827 176.433 -1.606 1
1 737 . 3 1 1 A 58 58 SER CA C 58 59.986 61.205 -1.219 1
1 738 . 3 1 1 A 58 58 SER CB C 58 62.464 63.399 -0.935 1
1 739 . 3 1 1 A 58 58 SER N N 58 113.020 117.029 -4.009 1
1 740 . 3 1 1 A 59 59 LEU H H 59 7.917 7.983 -0.066 1
1 741 . 3 1 1 A 59 59 LEU HA H 59 4.269 4.153 0.116 1
1 751 . 3 1 1 A 59 59 LEU C C 59 177.627 177.179 0.448 1
1 752 . 3 1 1 A 59 59 LEU CA C 59 54.402 57.843 -3.441 1
1 753 . 3 1 1 A 59 59 LEU CB C 59 43.731 41.846 1.885 1
1 757 . 3 1 1 A 59 59 LEU N N 59 117.463 119.513 -2.050 1
1 758 . 3 1 1 A 60 60 ASP H H 60 8.025 7.600 0.425 1
1 759 . 3 1 1 A 60 60 ASP HA H 60 4.566 4.719 -0.153 1
1 762 . 3 1 1 A 60 60 ASP C C 60 176.627 177.006 -0.379 1
1 763 . 3 1 1 A 60 60 ASP CA C 60 52.335 54.549 -2.214 1
1 764 . 3 1 1 A 60 60 ASP CB C 60 38.139 42.073 -3.934 1
1 765 . 3 1 1 A 60 60 ASP N N 60 117.588 118.397 -0.809 1
1 766 . 3 1 1 A 61 61 LYS H H 61 8.100 9.524 -1.424 1
1 767 . 3 1 1 A 61 61 LYS HA H 61 4.035 4.504 -0.469 1
1 776 . 3 1 1 A 61 61 LYS C C 61 176.727 176.968 -0.241 1
1 777 . 3 1 1 A 61 61 LYS CA C 61 56.887 56.901 -0.014 1
1 778 . 3 1 1 A 61 61 LYS CB C 61 31.653 32.518 -0.865 1
1 782 . 3 1 1 A 61 61 LYS N N 61 126.943 126.119 0.824 1
1 783 . 3 1 1 A 62 62 ASN H H 62 7.864 8.065 -0.201 1
1 784 . 3 1 1 A 62 62 ASN HA H 62 4.759 4.867 -0.108 1
1 789 . 3 1 1 A 62 62 ASN C C 62 173.727 175.545 -1.818 1
1 790 . 3 1 1 A 62 62 ASN CA C 62 50.660 53.091 -2.431 1
1 791 . 3 1 1 A 62 62 ASN CB C 62 35.920 40.856 -4.936 1
1 792 . 3 1 1 A 62 62 ASN N N 62 113.588 115.418 -1.830 1
1 794 . 3 1 1 A 63 63 SER H H 63 7.613 8.660 -1.047 1
1 795 . 3 1 1 A 63 63 SER HA H 63 3.962 4.239 -0.277 1
1 798 . 3 1 1 A 63 63 SER C C 63 172.927 174.191 -1.264 1
1 799 . 3 1 1 A 63 63 SER CA C 63 58.262 59.358 -1.096 1
1 800 . 3 1 1 A 63 63 SER CB C 63 60.708 61.364 -0.656 1
1 801 . 3 1 1 A 63 63 SER N N 63 111.592 110.446 1.146 1
1 802 . 3 1 1 A 64 64 ASP H H 64 8.217 7.841 0.376 1
1 803 . 3 1 1 A 64 64 ASP HA H 64 4.653 4.525 0.128 1
1 806 . 3 1 1 A 64 64 ASP C C 64 175.927 176.991 -1.064 1
1 807 . 3 1 1 A 64 64 ASP CA C 64 51.641 53.409 -1.768 1
1 808 . 3 1 1 A 64 64 ASP CB C 64 39.385 39.977 -0.592 1
1 809 . 3 1 1 A 64 64 ASP N N 64 118.913 119.224 -0.311 1
1 810 . 3 1 1 A 65 65 GLN H H 65 10.239 8.039 2.200 1
1 811 . 3 1 1 A 65 65 GLN HA H 65 3.356 3.907 -0.551 1
1 818 . 3 1 1 A 65 65 GLN C C 65 172.627 174.513 -1.886 1
1 819 . 3 1 1 A 65 65 GLN CA C 65 56.325 57.454 -1.129 1
1 820 . 3 1 1 A 65 65 GLN CB C 65 24.910 28.488 -3.578 1
1 822 . 3 1 1 A 65 65 GLN N N 65 114.908 117.213 -2.305 1
1 824 . 3 1 1 A 66 66 GLU H H 66 7.710 7.889 -0.179 1
1 825 . 3 1 1 A 66 66 GLU HA H 66 4.691 4.836 -0.145 1
1 830 . 3 1 1 A 66 66 GLU C C 66 174.127 175.666 -1.539 1
1 831 . 3 1 1 A 66 66 GLU CA C 66 52.987 55.591 -2.604 1
1 832 . 3 1 1 A 66 66 GLU CB C 66 32.433 30.977 1.456 1
1 834 . 3 1 1 A 66 66 GLU N N 66 115.721 119.903 -4.182 1
1 835 . 3 1 1 A 67 67 ILE H H 67 9.938 8.943 0.995 1
1 836 . 3 1 1 A 67 67 ILE HA H 67 5.291 4.522 0.769 1
1 846 . 3 1 1 A 67 67 ILE C C 67 175.627 175.564 0.063 1
1 847 . 3 1 1 A 67 67 ILE CA C 67 56.241 60.827 -4.586 1
1 848 . 3 1 1 A 67 67 ILE CB C 67 35.492 37.254 -1.762 1
1 852 . 3 1 1 A 67 67 ILE N N 67 125.901 126.494 -0.593 1
1 853 . 3 1 1 A 68 68 ASP H H 68 8.794 8.316 0.478 1
1 854 . 3 1 1 A 68 68 ASP HA H 68 5.002 4.615 0.387 1
1 857 . 3 1 1 A 68 68 ASP C C 68 174.427 177.691 -3.264 1
1 858 . 3 1 1 A 68 68 ASP CA C 68 51.563 55.015 -3.452 1
1 859 . 3 1 1 A 68 68 ASP CB C 68 40.493 42.982 -2.489 1
1 860 . 3 1 1 A 68 68 ASP N N 68 127.844 128.329 -0.485 1
1 861 . 3 1 1 A 69 69 PHE H H 69 9.068 9.310 -0.242 1
1 862 . 3 1 1 A 69 69 PHE HA H 69 3.130 3.882 -0.752 1
1 869 . 3 1 1 A 69 69 PHE C C 69 176.827 177.545 -0.718 1
1 870 . 3 1 1 A 69 69 PHE CA C 69 62.478 62.014 0.464 1
1 871 . 3 1 1 A 69 69 PHE CB C 69 38.096 39.771 -1.675 1
1 872 . 3 1 1 A 69 69 PHE N N 69 118.955 128.177 -9.222 1
1 873 . 3 1 1 A 70 70 LYS H H 70 8.123 8.605 -0.482 1
1 874 . 3 1 1 A 70 70 LYS HA H 70 3.871 4.029 -0.158 1
1 883 . 3 1 1 A 70 70 LYS C C 70 179.527 179.564 -0.037 1
1 884 . 3 1 1 A 70 70 LYS CA C 70 59.457 59.798 -0.341 1
1 885 . 3 1 1 A 70 70 LYS CB C 70 30.772 31.994 -1.222 1
1 889 . 3 1 1 A 70 70 LYS N N 70 120.287 119.076 1.211 1
1 890 . 3 1 1 A 71 71 GLU H H 71 8.746 8.122 0.624 1
1 891 . 3 1 1 A 71 71 GLU HA H 71 4.099 4.090 0.009 1
1 896 . 3 1 1 A 71 71 GLU C C 71 179.127 178.917 0.210 1
1 897 . 3 1 1 A 71 71 GLU CA C 71 57.934 58.864 -0.930 1
1 898 . 3 1 1 A 71 71 GLU CB C 71 29.266 29.921 -0.655 1
1 900 . 3 1 1 A 71 71 GLU N N 71 122.207 119.150 3.057 1
1 901 . 3 1 1 A 72 72 TYR H H 72 8.879 8.636 0.243 1
1 902 . 3 1 1 A 72 72 TYR HA H 72 4.010 4.217 -0.207 1
1 909 . 3 1 1 A 72 72 TYR C C 72 175.927 177.987 -2.060 1
1 910 . 3 1 1 A 72 72 TYR CA C 72 58.551 61.734 -3.183 1
1 911 . 3 1 1 A 72 72 TYR CB C 72 38.072 38.635 -0.563 1
1 912 . 3 1 1 A 72 72 TYR N N 72 121.813 122.656 -0.843 1
1 913 . 3 1 1 A 73 73 SER H H 73 8.414 8.038 0.376 1
1 914 . 3 1 1 A 73 73 SER HA H 73 3.462 3.995 -0.533 1
1 917 . 3 1 1 A 73 73 SER C C 73 175.127 176.134 -1.007 1
1 918 . 3 1 1 A 73 73 SER CA C 73 61.876 61.800 0.076 1
1 919 . 3 1 1 A 73 73 SER CB C 73 61.327 62.906 -1.579 1
1 920 . 3 1 1 A 73 73 SER N N 73 117.840 116.070 1.770 1
1 921 . 3 1 1 A 74 74 VAL H H 74 7.363 8.169 -0.806 1
1 922 . 3 1 1 A 74 74 VAL HA H 74 3.584 3.843 -0.259 1
1 930 . 3 1 1 A 74 74 VAL C C 74 178.027 178.372 -0.345 1
1 931 . 3 1 1 A 74 74 VAL CA C 74 65.397 65.757 -0.360 1
1 932 . 3 1 1 A 74 74 VAL CB C 74 30.300 31.487 -1.187 1
1 935 . 3 1 1 A 74 74 VAL N N 74 123.439 118.376 5.063 1
1 936 . 3 1 1 A 75 75 PHE H H 75 7.282 8.246 -0.964 1
1 937 . 3 1 1 A 75 75 PHE HA H 75 4.562 4.072 0.490 1
1 945 . 3 1 1 A 75 75 PHE C C 75 176.127 176.889 -0.762 1
1 946 . 3 1 1 A 75 75 PHE CA C 75 57.851 61.094 -3.243 1
1 947 . 3 1 1 A 75 75 PHE CB C 75 36.863 38.920 -2.057 1
1 948 . 3 1 1 A 75 75 PHE N N 75 122.766 123.785 -1.019 1
1 949 . 3 1 1 A 76 76 LEU H H 76 7.823 8.090 -0.267 1
1 950 . 3 1 1 A 76 76 LEU HA H 76 3.445 3.394 0.051 1
1 960 . 3 1 1 A 76 76 LEU C C 76 178.927 179.014 -0.087 1
1 961 . 3 1 1 A 76 76 LEU CA C 76 56.891 57.660 -0.769 1
1 962 . 3 1 1 A 76 76 LEU CB C 76 39.917 41.000 -1.083 1
1 966 . 3 1 1 A 76 76 LEU N N 76 115.619 118.959 -3.340 1
1 967 . 3 1 1 A 77 77 THR H H 77 7.858 7.808 0.050 1
1 968 . 3 1 1 A 77 77 THR HA H 77 3.665 3.788 -0.123 1
1 974 . 3 1 1 A 77 77 THR C C 77 175.427 176.510 -1.083 1
1 975 . 3 1 1 A 77 77 THR CA C 77 66.127 66.625 -0.498 1
1 976 . 3 1 1 A 77 77 THR CB C 77 67.585 68.369 -0.784 1
1 978 . 3 1 1 A 77 77 THR N N 77 113.417 115.686 -2.269 1
1 979 . 3 1 1 A 78 78 MET H H 78 7.970 8.313 -0.343 1
1 980 . 3 1 1 A 78 78 MET HA H 78 3.935 4.169 -0.234 1
1 988 . 3 1 1 A 78 78 MET C C 78 179.127 179.047 0.080 1
1 989 . 3 1 1 A 78 78 MET CA C 78 58.780 58.490 0.290 1
1 990 . 3 1 1 A 78 78 MET CB C 78 31.501 32.232 -0.731 1
1 993 . 3 1 1 A 78 78 MET N N 78 122.745 118.824 3.921 1
1 994 . 3 1 1 A 79 79 LEU H H 79 7.898 7.959 -0.061 1
1 995 . 3 1 1 A 79 79 LEU HA H 79 3.870 4.021 -0.151 1
1 1005 . 3 1 1 A 79 79 LEU C C 79 178.427 179.298 -0.871 1
1 1006 . 3 1 1 A 79 79 LEU CA C 79 56.843 57.874 -1.031 1
1 1007 . 3 1 1 A 79 79 LEU CB C 79 41.099 41.448 -0.349 1
1 1011 . 3 1 1 A 79 79 LEU N N 79 120.989 121.220 -0.231 1
1 1012 . 3 1 1 A 80 80 CYS H H 80 8.400 8.281 0.119 1
1 1013 . 3 1 1 A 80 80 CYS HA H 80 3.830 4.213 -0.383 1
1 1017 . 3 1 1 A 80 80 CYS C C 80 175.927 177.264 -1.337 1
1 1018 . 3 1 1 A 80 80 CYS CA C 80 64.044 62.133 1.911 1
1 1019 . 3 1 1 A 80 80 CYS CB C 80 25.626 27.243 -1.617 1
1 1020 . 3 1 1 A 80 80 CYS N N 80 117.746 118.861 -1.115 1
1 1021 . 3 1 1 A 81 81 MET H H 81 8.295 8.424 -0.129 1
1 1022 . 3 1 1 A 81 81 MET HA H 81 4.023 4.147 -0.124 1
1 1030 . 3 1 1 A 81 81 MET C C 81 177.327 178.108 -0.781 1
1 1031 . 3 1 1 A 81 81 MET CA C 81 57.601 59.025 -1.424 1
1 1032 . 3 1 1 A 81 81 MET CB C 81 30.668 33.030 -2.362 1
1 1035 . 3 1 1 A 81 81 MET N N 81 117.598 119.100 -1.502 1
1 1036 . 3 1 1 A 82 82 ALA H H 82 7.624 8.212 -0.588 1
1 1037 . 3 1 1 A 82 82 ALA HA H 82 4.061 4.069 -0.008 1
1 1041 . 3 1 1 A 82 82 ALA C C 82 179.627 179.417 0.210 1
1 1042 . 3 1 1 A 82 82 ALA CA C 82 53.856 55.612 -1.756 1
1 1043 . 3 1 1 A 82 82 ALA CB C 82 16.794 18.500 -1.706 1
1 1044 . 3 1 1 A 82 82 ALA N N 82 121.886 121.303 0.583 1
1 1045 . 3 1 1 A 83 83 TYR H H 83 8.476 8.034 0.442 1
1 1046 . 3 1 1 A 83 83 TYR HA H 83 4.147 4.416 -0.269 1
1 1053 . 3 1 1 A 83 83 TYR C C 83 178.127 178.212 -0.085 1
1 1054 . 3 1 1 A 83 83 TYR CA C 83 60.066 61.105 -1.039 1
1 1055 . 3 1 1 A 83 83 TYR CB C 83 36.546 37.603 -1.057 1
1 1056 . 3 1 1 A 83 83 TYR N N 83 119.136 116.932 2.204 1
1 1057 . 3 1 1 A 84 84 ASN H H 84 8.386 8.402 -0.016 1
1 1058 . 3 1 1 A 84 84 ASN HA H 84 4.221 4.602 -0.381 1
1 1063 . 3 1 1 A 84 84 ASN C C 84 175.427 177.425 -1.998 1
1 1064 . 3 1 1 A 84 84 ASN CA C 84 56.123 56.813 -0.690 1
1 1065 . 3 1 1 A 84 84 ASN CB C 84 37.387 38.761 -1.374 1
1 1066 . 3 1 1 A 84 84 ASN N N 84 120.692 119.912 0.780 1
1 1068 . 3 1 1 A 85 85 ASP H H 85 7.611 7.736 -0.125 1
1 1069 . 3 1 1 A 85 85 ASP HA H 85 4.234 4.413 -0.179 1
1 1072 . 3 1 1 A 85 85 ASP C C 85 178.227 178.427 -0.200 1
1 1073 . 3 1 1 A 85 85 ASP CA C 85 56.752 57.141 -0.389 1
1 1074 . 3 1 1 A 85 85 ASP CB C 85 38.688 40.926 -2.238 1
1 1075 . 3 1 1 A 85 85 ASP N N 85 118.378 119.404 -1.026 1
1 1076 . 3 1 1 A 86 86 PHE H H 86 7.538 8.057 -0.519 1
1 1077 . 3 1 1 A 86 86 PHE HA H 86 4.291 4.179 0.112 1
1 1084 . 3 1 1 A 86 86 PHE C C 86 176.627 177.705 -1.078 1
1 1085 . 3 1 1 A 86 86 PHE CA C 86 58.743 61.322 -2.579 1
1 1086 . 3 1 1 A 86 86 PHE CB C 86 37.488 38.615 -1.127 1
1 1087 . 3 1 1 A 86 86 PHE N N 86 118.712 120.329 -1.617 1
1 1088 . 3 1 1 A 87 87 PHE H H 87 8.132 8.219 -0.087 1
1 1089 . 3 1 1 A 87 87 PHE HA H 87 3.906 4.136 -0.230 1
1 1096 . 3 1 1 A 87 87 PHE C C 87 176.627 177.254 -0.627 1
1 1097 . 3 1 1 A 87 87 PHE CA C 87 59.554 61.123 -1.569 1
1 1098 . 3 1 1 A 87 87 PHE CB C 87 38.017 39.390 -1.373 1
1 1099 . 3 1 1 A 87 87 PHE N N 87 121.649 119.893 1.756 1
1 1100 . 3 1 1 A 88 88 LEU H H 88 7.953 7.574 0.379 1
1 1101 . 3 1 1 A 88 88 LEU HA H 88 3.775 3.976 -0.201 1
1 1111 . 3 1 1 A 88 88 LEU C C 88 177.627 177.240 0.387 1
1 1112 . 3 1 1 A 88 88 LEU CA C 88 55.078 56.276 -1.198 1
1 1113 . 3 1 1 A 88 88 LEU CB C 88 41.226 41.685 -0.459 1
1 1117 . 3 1 1 A 88 88 LEU N N 88 118.897 118.854 0.043 1
1 1118 . 3 1 1 A 89 89 GLU H H 89 7.475 7.631 -0.156 1
1 1119 . 3 1 1 A 89 89 GLU HA H 89 3.914 4.334 -0.420 1
1 1124 . 3 1 1 A 89 89 GLU C C 89 176.127 177.339 -1.212 1
1 1125 . 3 1 1 A 89 89 GLU CA C 89 56.926 56.807 0.119 1
1 1126 . 3 1 1 A 89 89 GLU CB C 89 28.567 29.569 -1.002 1
1 1128 . 3 1 1 A 89 89 GLU N N 89 119.332 118.062 1.270 1
1 1129 . 3 1 1 A 90 90 ASP H H 90 7.750 7.983 -0.233 1
1 1130 . 3 1 1 A 90 90 ASP HA H 90 4.370 4.589 -0.219 1
1 1133 . 3 1 1 A 90 90 ASP C C 90 175.227 178.129 -2.902 1
1 1134 . 3 1 1 A 90 90 ASP CA C 90 53.593 56.080 -2.487 1
1 1135 . 3 1 1 A 90 90 ASP CB C 90 40.323 41.591 -1.268 1
1 1136 . 3 1 1 A 90 90 ASP N N 90 118.945 120.560 -1.615 1
1 1137 . 3 1 1 A 91 91 ASN H H 91 7.681 7.724 -0.043 1
1 1138 . 3 1 1 A 91 91 ASN HA H 91 4.495 4.506 -0.011 1
1 1143 . 3 1 1 A 91 91 ASN C C 91 173.027 175.964 -2.937 1
1 1144 . 3 1 1 A 91 91 ASN CA C 91 52.041 52.750 -0.709 1
1 1145 . 3 1 1 A 91 91 ASN CB C 91 38.072 37.273 0.799 1
1 1146 . 3 1 1 A 91 91 ASN N N 91 118.171 114.865 3.306 1
1 10 . 4 1 1 A 2 2 GLU H H 2 8.776 8.967 -0.191 1
1 11 . 4 1 1 A 2 2 GLU HA H 2 4.535 4.557 -0.022 1
1 16 . 4 1 1 A 2 2 GLU C C 2 175.627 174.936 0.691 1
1 17 . 4 1 1 A 2 2 GLU CA C 2 55.573 57.156 -1.583 1
1 18 . 4 1 1 A 2 2 GLU CB C 2 30.569 30.204 0.365 1
1 20 . 4 1 1 A 2 2 GLU N N 2 124.305 121.964 2.341 1
1 21 . 4 1 1 A 3 3 THR H H 3 8.835 8.093 0.742 1
1 22 . 4 1 1 A 3 3 THR HA H 3 4.608 4.674 -0.066 1
1 27 . 4 1 1 A 3 3 THR CA C 3 59.187 60.420 -1.233 1
1 28 . 4 1 1 A 3 3 THR CB C 3 67.385 69.196 -1.811 1
1 30 . 4 1 1 A 3 3 THR N N 3 116.176 114.798 1.378 1
1 31 . 4 1 1 A 4 4 PRO HA H 4 4.158 4.367 -0.209 1
1 38 . 4 1 1 A 4 4 PRO C C 4 179.327 178.060 1.267 1
1 39 . 4 1 1 A 4 4 PRO CA C 4 65.040 65.273 -0.233 1
1 40 . 4 1 1 A 4 4 PRO CB C 4 30.616 31.773 -1.157 1
1 43 . 4 1 1 A 5 5 LEU H H 5 8.794 7.544 1.250 1
1 44 . 4 1 1 A 5 5 LEU HA H 5 3.944 4.051 -0.107 1
1 54 . 4 1 1 A 5 5 LEU C C 5 177.327 178.272 -0.945 1
1 55 . 4 1 1 A 5 5 LEU CA C 5 56.920 57.079 -0.159 1
1 56 . 4 1 1 A 5 5 LEU CB C 5 41.139 42.401 -1.262 1
1 60 . 4 1 1 A 5 5 LEU N N 5 118.892 117.537 1.355 1
1 61 . 4 1 1 A 6 6 GLU H H 6 7.664 8.339 -0.675 1
1 62 . 4 1 1 A 6 6 GLU HA H 6 3.744 3.845 -0.101 1
1 67 . 4 1 1 A 6 6 GLU C C 6 178.827 179.285 -0.458 1
1 68 . 4 1 1 A 6 6 GLU CA C 6 59.347 60.036 -0.689 1
1 69 . 4 1 1 A 6 6 GLU CB C 6 28.700 29.223 -0.523 1
1 71 . 4 1 1 A 6 6 GLU N N 6 118.741 119.231 -0.490 1
1 72 . 4 1 1 A 7 7 LYS H H 7 8.435 8.243 0.192 1
1 73 . 4 1 1 A 7 7 LYS HA H 7 3.909 4.097 -0.188 1
1 82 . 4 1 1 A 7 7 LYS C C 7 178.527 178.867 -0.340 1
1 83 . 4 1 1 A 7 7 LYS CA C 7 58.539 58.927 -0.388 1
1 84 . 4 1 1 A 7 7 LYS CB C 7 31.217 32.049 -0.832 1
1 88 . 4 1 1 A 7 7 LYS N N 7 119.285 119.090 0.195 1
1 89 . 4 1 1 A 8 8 ALA H H 8 8.008 8.082 -0.074 1
1 90 . 4 1 1 A 8 8 ALA HA H 8 4.038 4.005 0.033 1
1 94 . 4 1 1 A 8 8 ALA C C 8 178.327 180.476 -2.149 1
1 95 . 4 1 1 A 8 8 ALA CA C 8 54.356 54.891 -0.535 1
1 96 . 4 1 1 A 8 8 ALA CB C 8 17.509 18.238 -0.729 1
1 97 . 4 1 1 A 8 8 ALA N N 8 123.866 122.532 1.334 1
1 98 . 4 1 1 A 9 9 LEU H H 9 8.163 8.151 0.012 1
1 99 . 4 1 1 A 9 9 LEU HA H 9 3.809 3.995 -0.186 1
1 109 . 4 1 1 A 9 9 LEU C C 9 178.527 179.091 -0.564 1
1 110 . 4 1 1 A 9 9 LEU CA C 9 57.256 57.937 -0.681 1
1 111 . 4 1 1 A 9 9 LEU CB C 9 40.483 41.687 -1.204 1
1 115 . 4 1 1 A 9 9 LEU N N 9 119.134 117.971 1.163 1
1 116 . 4 1 1 A 10 10 THR H H 10 8.186 8.514 -0.328 1
1 117 . 4 1 1 A 10 10 THR HA H 10 3.741 3.939 -0.198 1
1 122 . 4 1 1 A 10 10 THR C C 10 176.727 176.736 -0.009 1
1 123 . 4 1 1 A 10 10 THR CA C 10 66.345 66.725 -0.380 1
1 124 . 4 1 1 A 10 10 THR CB C 10 67.558 68.483 -0.925 1
1 126 . 4 1 1 A 10 10 THR N N 10 114.355 116.075 -1.720 1
1 127 . 4 1 1 A 11 11 THR H H 11 8.387 8.286 0.101 1
1 128 . 4 1 1 A 11 11 THR HA H 11 3.963 3.953 0.010 1
1 133 . 4 1 1 A 11 11 THR C C 11 176.827 175.709 1.118 1
1 134 . 4 1 1 A 11 11 THR CA C 11 65.801 67.021 -1.220 1
1 135 . 4 1 1 A 11 11 THR CB C 11 67.140 68.463 -1.323 1
1 137 . 4 1 1 A 11 11 THR N N 11 120.801 117.391 3.410 1
1 138 . 4 1 1 A 12 12 MET H H 12 8.299 8.782 -0.483 1
1 139 . 4 1 1 A 12 12 MET HA H 12 3.872 4.231 -0.359 1
1 147 . 4 1 1 A 12 12 MET C C 12 177.827 178.329 -0.502 1
1 148 . 4 1 1 A 12 12 MET CA C 12 59.263 58.746 0.517 1
1 149 . 4 1 1 A 12 12 MET CB C 12 31.845 32.252 -0.407 1
1 152 . 4 1 1 A 12 12 MET N N 12 124.102 120.217 3.885 1
1 153 . 4 1 1 A 13 13 VAL H H 13 7.820 8.587 -0.767 1
1 154 . 4 1 1 A 13 13 VAL HA H 13 3.937 4.104 -0.167 1
1 162 . 4 1 1 A 13 13 VAL C C 13 177.127 177.483 -0.356 1
1 163 . 4 1 1 A 13 13 VAL CA C 13 65.677 65.056 0.621 1
1 164 . 4 1 1 A 13 13 VAL CB C 13 31.656 31.646 0.010 1
1 167 . 4 1 1 A 13 13 VAL N N 13 119.838 119.015 0.823 1
1 168 . 4 1 1 A 14 14 THR H H 14 9.107 8.121 0.986 1
1 169 . 4 1 1 A 14 14 THR HA H 14 3.654 4.083 -0.429 1
1 174 . 4 1 1 A 14 14 THR C C 14 177.527 176.429 1.098 1
1 175 . 4 1 1 A 14 14 THR CA C 14 65.273 66.271 -0.998 1
1 176 . 4 1 1 A 14 14 THR CB C 14 67.652 68.832 -1.180 1
1 178 . 4 1 1 A 14 14 THR N N 14 112.247 116.641 -4.394 1
1 179 . 4 1 1 A 15 15 THR H H 15 8.189 8.525 -0.336 1
1 180 . 4 1 1 A 15 15 THR HA H 15 3.864 4.296 -0.432 1
1 186 . 4 1 1 A 15 15 THR C C 15 173.627 176.769 -3.142 1
1 187 . 4 1 1 A 15 15 THR CA C 15 66.930 66.069 0.861 1
1 188 . 4 1 1 A 15 15 THR CB C 15 66.539 68.305 -1.766 1
1 190 . 4 1 1 A 15 15 THR N N 15 117.691 112.304 5.387 1
1 191 . 4 1 1 A 16 16 PHE H H 16 6.850 8.479 -1.629 1
1 192 . 4 1 1 A 16 16 PHE HA H 16 3.417 3.926 -0.509 1
1 199 . 4 1 1 A 16 16 PHE C C 16 175.627 177.428 -1.801 1
1 200 . 4 1 1 A 16 16 PHE CA C 16 61.577 61.568 0.009 1
1 201 . 4 1 1 A 16 16 PHE CB C 16 38.177 38.772 -0.595 1
1 202 . 4 1 1 A 16 16 PHE N N 16 120.169 123.412 -3.243 1
1 203 . 4 1 1 A 17 17 HIS H H 17 6.924 8.463 -1.539 1
1 204 . 4 1 1 A 17 17 HIS HA H 17 4.755 4.340 0.415 1
1 207 . 4 1 1 A 17 17 HIS C C 17 176.227 177.863 -1.636 1
1 208 . 4 1 1 A 17 17 HIS CA C 17 56.810 59.527 -2.717 1
1 209 . 4 1 1 A 17 17 HIS CB C 17 29.597 30.604 -1.007 1
1 210 . 4 1 1 A 17 17 HIS N N 17 115.499 117.605 -2.106 1
1 211 . 4 1 1 A 18 18 LYS H H 18 7.888 8.470 -0.582 1
1 212 . 4 1 1 A 18 18 LYS HA H 18 3.870 4.038 -0.168 1
1 221 . 4 1 1 A 18 18 LYS C C 18 176.927 177.498 -0.571 1
1 222 . 4 1 1 A 18 18 LYS CA C 18 57.897 59.133 -1.236 1
1 223 . 4 1 1 A 18 18 LYS CB C 18 31.582 32.241 -0.659 1
1 227 . 4 1 1 A 18 18 LYS N N 18 121.217 120.094 1.123 1
1 228 . 4 1 1 A 19 19 TYR H H 19 6.928 7.911 -0.983 1
1 229 . 4 1 1 A 19 19 TYR HA H 19 4.163 4.397 -0.234 1
1 234 . 4 1 1 A 19 19 TYR C C 19 175.027 177.727 -2.700 1
1 235 . 4 1 1 A 19 19 TYR CA C 19 59.335 59.621 -0.286 1
1 236 . 4 1 1 A 19 19 TYR CB C 19 39.515 39.496 0.019 1
1 237 . 4 1 1 A 19 19 TYR N N 19 114.488 117.625 -3.137 1
1 238 . 4 1 1 A 20 20 SER H H 20 8.021 8.330 -0.309 1
1 239 . 4 1 1 A 20 20 SER HA H 20 3.105 4.274 -1.169 1
1 242 . 4 1 1 A 20 20 SER C C 20 176.527 175.687 0.840 1
1 243 . 4 1 1 A 20 20 SER CA C 20 60.457 61.681 -1.224 1
1 244 . 4 1 1 A 20 20 SER CB C 20 60.326 62.691 -2.365 1
1 245 . 4 1 1 A 20 20 SER N N 20 112.624 115.554 -2.930 1
1 246 . 4 1 1 A 21 21 GLY H H 21 7.908 7.764 0.144 1
1 247 . 4 1 1 A 21 21 GLY HA2 H 21 4.197 3.884 0.313 1
1 248 . 4 1 1 A 21 21 GLY HA3 H 21 3.761 3.935 -0.174 1
1 249 . 4 1 1 A 21 21 GLY C C 21 173.027 174.507 -1.480 1
1 250 . 4 1 1 A 21 21 GLY CA C 21 44.357 45.396 -1.039 1
1 251 . 4 1 1 A 21 21 GLY N N 21 112.095 108.386 3.709 1
1 252 . 4 1 1 A 22 22 ARG H H 22 7.470 7.749 -0.279 1
1 253 . 4 1 1 A 22 22 ARG HA H 22 3.956 4.276 -0.320 1
1 260 . 4 1 1 A 22 22 ARG C C 22 176.327 175.516 0.811 1
1 261 . 4 1 1 A 22 22 ARG CA C 22 58.189 56.084 2.105 1
1 262 . 4 1 1 A 22 22 ARG CB C 22 29.483 30.864 -1.381 1
1 265 . 4 1 1 A 22 22 ARG N N 22 122.481 119.040 3.441 1
1 266 . 4 1 1 A 23 23 GLU H H 23 9.412 7.219 2.193 1
1 267 . 4 1 1 A 23 23 GLU HA H 23 4.626 4.581 0.045 1
1 272 . 4 1 1 A 23 23 GLU C C 23 175.027 175.256 -0.229 1
1 273 . 4 1 1 A 23 23 GLU CA C 23 53.319 55.699 -2.380 1
1 274 . 4 1 1 A 23 23 GLU CB C 23 32.032 32.463 -0.431 1
1 276 . 4 1 1 A 23 23 GLU N N 23 116.123 118.559 -2.436 1
1 277 . 4 1 1 A 24 24 GLY H H 24 9.080 8.567 0.513 1
1 278 . 4 1 1 A 24 24 GLY HA2 H 24 3.694 3.820 -0.126 1
1 279 . 4 1 1 A 24 24 GLY HA3 H 24 3.878 3.882 -0.004 1
1 280 . 4 1 1 A 24 24 GLY C C 24 172.827 173.974 -1.147 1
1 281 . 4 1 1 A 24 24 GLY CA C 24 44.707 45.944 -1.237 1
1 282 . 4 1 1 A 24 24 GLY N N 24 114.015 109.601 4.414 1
1 283 . 4 1 1 A 25 25 SER H H 25 8.465 8.327 0.138 1
1 284 . 4 1 1 A 25 25 SER HA H 25 4.312 4.520 -0.208 1
1 287 . 4 1 1 A 25 25 SER C C 25 178.027 175.829 2.198 1
1 288 . 4 1 1 A 25 25 SER CA C 25 57.478 58.090 -0.612 1
1 289 . 4 1 1 A 25 25 SER CB C 25 61.941 63.507 -1.566 1
1 290 . 4 1 1 A 25 25 SER N N 25 117.299 119.687 -2.388 1
1 291 . 4 1 1 A 26 26 LYS H H 26 9.532 8.861 0.671 1
1 292 . 4 1 1 A 26 26 LYS HA H 26 4.660 4.150 0.510 1
1 301 . 4 1 1 A 26 26 LYS C C 26 176.127 178.947 -2.820 1
1 302 . 4 1 1 A 26 26 LYS CA C 26 56.928 58.906 -1.978 1
1 303 . 4 1 1 A 26 26 LYS CB C 26 30.526 32.039 -1.513 1
1 307 . 4 1 1 A 26 26 LYS N N 26 131.209 123.951 7.258 1
1 308 . 4 1 1 A 27 27 LEU H H 27 8.643 7.496 1.147 1
1 309 . 4 1 1 A 27 27 LEU HA H 27 4.583 4.113 0.470 1
1 319 . 4 1 1 A 27 27 LEU C C 27 174.827 176.257 -1.430 1
1 320 . 4 1 1 A 27 27 LEU CA C 27 53.205 57.939 -4.734 1
1 321 . 4 1 1 A 27 27 LEU CB C 27 41.824 41.993 -0.169 1
1 325 . 4 1 1 A 27 27 LEU N N 27 118.729 121.149 -2.420 1
1 326 . 4 1 1 A 28 28 THR H H 28 7.037 7.616 -0.579 1
1 327 . 4 1 1 A 28 28 THR HA H 28 5.168 4.656 0.512 1
1 332 . 4 1 1 A 28 28 THR C C 28 172.727 174.118 -1.391 1
1 333 . 4 1 1 A 28 28 THR CA C 28 57.915 59.882 -1.967 1
1 334 . 4 1 1 A 28 28 THR CB C 28 71.934 70.790 1.144 1
1 336 . 4 1 1 A 28 28 THR N N 28 104.663 109.076 -4.413 1
1 337 . 4 1 1 A 29 29 LEU H H 29 9.517 8.411 1.106 1
1 338 . 4 1 1 A 29 29 LEU HA H 29 5.196 4.775 0.421 1
1 348 . 4 1 1 A 29 29 LEU C C 29 175.527 176.972 -1.445 1
1 349 . 4 1 1 A 29 29 LEU CA C 29 51.653 53.691 -2.038 1
1 350 . 4 1 1 A 29 29 LEU CB C 29 42.301 42.350 -0.049 1
1 354 . 4 1 1 A 29 29 LEU N N 29 125.388 123.927 1.461 1
1 355 . 4 1 1 A 30 30 SER H H 30 10.053 9.060 0.993 1
1 356 . 4 1 1 A 30 30 SER HA H 30 4.475 4.730 -0.255 1
1 359 . 4 1 1 A 30 30 SER C C 30 173.427 175.242 -1.815 1
1 360 . 4 1 1 A 30 30 SER CA C 30 55.011 57.048 -2.037 1
1 361 . 4 1 1 A 30 30 SER CB C 30 64.446 65.319 -0.873 1
1 362 . 4 1 1 A 30 30 SER N N 30 121.114 119.849 1.265 1
1 363 . 4 1 1 A 31 31 ARG H H 31 8.992 8.962 0.030 1
1 364 . 4 1 1 A 31 31 ARG HA H 31 3.923 3.953 -0.030 1
1 371 . 4 1 1 A 31 31 ARG C C 31 177.027 177.702 -0.675 1
1 372 . 4 1 1 A 31 31 ARG CA C 31 59.408 59.759 -0.351 1
1 373 . 4 1 1 A 31 31 ARG CB C 31 29.041 30.143 -1.102 1
1 376 . 4 1 1 A 31 31 ARG N N 31 120.513 122.675 -2.162 1
1 377 . 4 1 1 A 32 32 LYS H H 32 7.845 7.912 -0.067 1
1 378 . 4 1 1 A 32 32 LYS HA H 32 3.826 3.950 -0.124 1
1 387 . 4 1 1 A 32 32 LYS C C 32 178.927 179.037 -0.110 1
1 388 . 4 1 1 A 32 32 LYS CA C 32 58.677 59.609 -0.932 1
1 389 . 4 1 1 A 32 32 LYS CB C 32 31.964 32.160 -0.196 1
1 393 . 4 1 1 A 32 32 LYS N N 32 117.011 118.990 -1.979 1
1 394 . 4 1 1 A 33 33 GLU H H 33 7.612 7.922 -0.310 1
1 395 . 4 1 1 A 33 33 GLU HA H 33 3.954 3.992 -0.038 1
1 400 . 4 1 1 A 33 33 GLU C C 33 177.227 179.264 -2.037 1
1 401 . 4 1 1 A 33 33 GLU CA C 33 58.289 58.919 -0.630 1
1 402 . 4 1 1 A 33 33 GLU CB C 33 29.757 29.347 0.410 1
1 404 . 4 1 1 A 33 33 GLU N N 33 120.815 119.582 1.233 1
1 405 . 4 1 1 A 34 34 LEU H H 34 8.694 8.060 0.634 1
1 406 . 4 1 1 A 34 34 LEU HA H 34 3.811 4.006 -0.195 1
1 416 . 4 1 1 A 34 34 LEU C C 34 176.927 178.252 -1.325 1
1 417 . 4 1 1 A 34 34 LEU CA C 34 57.025 57.688 -0.663 1
1 418 . 4 1 1 A 34 34 LEU CB C 34 40.638 41.702 -1.064 1
1 422 . 4 1 1 A 34 34 LEU N N 34 119.291 121.241 -1.950 1
1 423 . 4 1 1 A 35 35 LYS H H 35 8.114 7.503 0.611 1
1 424 . 4 1 1 A 35 35 LYS HA H 35 3.569 3.897 -0.328 1
1 433 . 4 1 1 A 35 35 LYS C C 35 177.027 178.415 -1.388 1
1 434 . 4 1 1 A 35 35 LYS CA C 35 59.419 59.549 -0.130 1
1 435 . 4 1 1 A 35 35 LYS CB C 35 31.271 32.124 -0.853 1
1 439 . 4 1 1 A 35 35 LYS N N 35 117.277 118.914 -1.637 1
1 440 . 4 1 1 A 36 36 GLU H H 36 7.560 7.933 -0.373 1
1 441 . 4 1 1 A 36 36 GLU HA H 36 3.845 4.169 -0.324 1
1 446 . 4 1 1 A 36 36 GLU C C 36 175.827 178.921 -3.094 1
1 447 . 4 1 1 A 36 36 GLU CA C 36 58.190 59.024 -0.834 1
1 448 . 4 1 1 A 36 36 GLU CB C 36 28.253 29.431 -1.178 1
1 450 . 4 1 1 A 36 36 GLU N N 36 119.302 119.191 0.111 1
1 451 . 4 1 1 A 37 37 LEU H H 37 7.682 8.104 -0.422 1
1 452 . 4 1 1 A 37 37 LEU HA H 37 2.280 3.835 -1.555 1
1 462 . 4 1 1 A 37 37 LEU C C 37 178.327 178.448 -0.121 1
1 463 . 4 1 1 A 37 37 LEU CA C 37 58.225 58.294 -0.069 1
1 464 . 4 1 1 A 37 37 LEU CB C 37 41.090 41.923 -0.833 1
1 468 . 4 1 1 A 37 37 LEU N N 37 121.690 120.701 0.989 1
1 469 . 4 1 1 A 38 38 ILE H H 38 8.157 8.204 -0.047 1
1 470 . 4 1 1 A 38 38 ILE HA H 38 3.292 3.582 -0.290 1
1 480 . 4 1 1 A 38 38 ILE C C 38 177.027 178.329 -1.302 1
1 481 . 4 1 1 A 38 38 ILE CA C 38 65.007 65.722 -0.715 1
1 482 . 4 1 1 A 38 38 ILE CB C 38 37.187 37.929 -0.742 1
1 486 . 4 1 1 A 38 38 ILE N N 38 117.626 119.175 -1.549 1
1 487 . 4 1 1 A 39 39 LYS H H 39 8.068 8.044 0.024 1
1 488 . 4 1 1 A 39 39 LYS HA H 39 3.876 4.193 -0.317 1
1 497 . 4 1 1 A 39 39 LYS C C 39 177.927 178.070 -0.143 1
1 498 . 4 1 1 A 39 39 LYS CA C 39 58.204 58.606 -0.402 1
1 499 . 4 1 1 A 39 39 LYS CB C 39 31.731 31.364 0.367 1
1 503 . 4 1 1 A 39 39 LYS N N 39 117.909 121.249 -3.340 1
1 504 . 4 1 1 A 40 40 LYS H H 40 8.094 7.729 0.365 1
1 505 . 4 1 1 A 40 40 LYS HA H 40 4.248 4.346 -0.098 1
1 514 . 4 1 1 A 40 40 LYS C C 40 178.227 178.800 -0.573 1
1 515 . 4 1 1 A 40 40 LYS CA C 40 56.291 58.125 -1.834 1
1 516 . 4 1 1 A 40 40 LYS CB C 40 32.652 33.433 -0.781 1
1 520 . 4 1 1 A 40 40 LYS N N 40 114.323 118.613 -4.290 1
1 521 . 4 1 1 A 41 41 GLU H H 41 8.381 8.653 -0.272 1
1 522 . 4 1 1 A 41 41 GLU HA H 41 4.744 4.141 0.603 1
1 527 . 4 1 1 A 41 41 GLU C C 41 176.227 176.930 -0.703 1
1 528 . 4 1 1 A 41 41 GLU CA C 41 55.054 59.400 -4.346 1
1 529 . 4 1 1 A 41 41 GLU CB C 41 29.598 29.657 -0.059 1
1 531 . 4 1 1 A 41 41 GLU N N 41 113.079 119.871 -6.792 1
1 532 . 4 1 1 A 42 42 LEU H H 42 7.544 8.502 -0.958 1
1 533 . 4 1 1 A 42 42 LEU HA H 42 4.754 4.632 0.122 1
1 542 . 4 1 1 A 42 42 LEU CA C 42 52.564 53.691 -1.127 1
1 543 . 4 1 1 A 42 42 LEU CB C 42 43.848 42.706 1.142 1
1 546 . 4 1 1 A 42 42 LEU N N 42 118.458 120.018 -1.560 1
1 547 . 4 1 1 A 43 43 CYS H H 43 8.342 8.534 -0.192 1
1 548 . 4 1 1 A 43 43 CYS HA H 43 4.486 4.548 -0.062 1
1 551 . 4 1 1 A 43 43 CYS C C 43 174.327 174.245 0.082 1
1 552 . 4 1 1 A 43 43 CYS CA C 43 57.655 59.601 -1.946 1
1 553 . 4 1 1 A 43 43 CYS CB C 43 25.653 27.495 -1.842 1
1 554 . 4 1 1 A 44 44 LEU H H 44 8.123 7.451 0.672 1
1 555 . 4 1 1 A 44 44 LEU HA H 44 4.339 4.548 -0.209 1
1 565 . 4 1 1 A 44 44 LEU C C 44 176.927 178.948 -2.021 1
1 566 . 4 1 1 A 44 44 LEU CA C 44 53.750 53.285 0.465 1
1 567 . 4 1 1 A 44 44 LEU CB C 44 40.784 44.128 -3.344 1
1 571 . 4 1 1 A 44 44 LEU N N 44 121.974 120.860 1.114 1
1 572 . 4 1 1 A 45 45 GLY H H 45 8.072 8.831 -0.759 1
1 573 . 4 1 1 A 45 45 GLY HA2 H 45 3.889 3.782 0.107 1
1 574 . 4 1 1 A 45 45 GLY HA3 H 45 3.698 3.897 -0.199 1
1 575 . 4 1 1 A 45 45 GLY C C 45 173.127 175.207 -2.080 1
1 576 . 4 1 1 A 45 45 GLY CA C 45 44.291 46.428 -2.137 1
1 577 . 4 1 1 A 45 45 GLY N N 45 107.819 107.831 -0.012 1
1 578 . 4 1 1 A 46 46 GLU H H 46 8.472 7.998 0.474 1
1 579 . 4 1 1 A 46 46 GLU HA H 46 4.048 4.201 -0.153 1
1 584 . 4 1 1 A 46 46 GLU C C 46 175.727 177.008 -1.281 1
1 585 . 4 1 1 A 46 46 GLU CA C 46 56.461 58.587 -2.126 1
1 586 . 4 1 1 A 46 46 GLU CB C 46 28.208 29.809 -1.601 1
1 588 . 4 1 1 A 46 46 GLU N N 46 120.563 120.318 0.245 1
1 589 . 4 1 1 A 47 47 MET H H 47 8.189 7.872 0.317 1
1 590 . 4 1 1 A 47 47 MET HA H 47 4.413 4.761 -0.348 1
1 598 . 4 1 1 A 47 47 MET C C 47 175.027 175.567 -0.540 1
1 599 . 4 1 1 A 47 47 MET CA C 47 53.905 54.904 -0.999 1
1 600 . 4 1 1 A 47 47 MET CB C 47 32.611 33.720 -1.109 1
1 603 . 4 1 1 A 47 47 MET N N 47 123.201 118.523 4.678 1
1 604 . 4 1 1 A 48 48 LYS H H 48 8.355 8.652 -0.297 1
1 605 . 4 1 1 A 48 48 LYS HA H 48 4.237 4.862 -0.625 1
1 614 . 4 1 1 A 48 48 LYS C C 48 177.027 176.268 0.759 1
1 615 . 4 1 1 A 48 48 LYS CA C 48 55.443 55.267 0.176 1
1 616 . 4 1 1 A 48 48 LYS CB C 48 32.173 33.970 -1.797 1
1 620 . 4 1 1 A 48 48 LYS N N 48 123.046 119.027 4.019 1
1 621 . 4 1 1 A 49 49 GLU H H 49 8.742 8.837 -0.095 1
1 622 . 4 1 1 A 49 49 GLU HA H 49 3.884 3.915 -0.031 1
1 627 . 4 1 1 A 49 49 GLU C C 49 177.727 177.689 0.038 1
1 628 . 4 1 1 A 49 49 GLU CA C 49 58.534 59.830 -1.296 1
1 629 . 4 1 1 A 49 49 GLU CB C 49 27.870 29.380 -1.510 1
1 631 . 4 1 1 A 49 49 GLU N N 49 122.407 120.091 2.316 1
1 632 . 4 1 1 A 50 50 SER H H 50 8.324 8.054 0.270 1
1 633 . 4 1 1 A 50 50 SER HA H 50 4.188 4.527 -0.339 1
1 636 . 4 1 1 A 50 50 SER C C 50 175.427 174.284 1.143 1
1 637 . 4 1 1 A 50 50 SER CA C 50 59.402 57.874 1.528 1
1 638 . 4 1 1 A 50 50 SER CB C 50 61.442 61.161 0.281 1
1 639 . 4 1 1 A 50 50 SER N N 50 112.475 114.369 -1.894 1
1 640 . 4 1 1 A 51 51 SER H H 51 7.400 8.387 -0.987 1
1 641 . 4 1 1 A 51 51 SER HA H 51 3.926 4.645 -0.719 1
1 644 . 4 1 1 A 51 51 SER C C 51 176.027 175.345 0.682 1
1 645 . 4 1 1 A 51 51 SER CA C 51 59.762 59.503 0.259 1
1 646 . 4 1 1 A 51 51 SER CB C 51 60.955 64.995 -4.040 1
1 647 . 4 1 1 A 51 51 SER N N 51 118.432 117.753 0.679 1
1 648 . 4 1 1 A 52 52 ILE H H 52 7.790 8.812 -1.022 1
1 649 . 4 1 1 A 52 52 ILE HA H 52 3.642 3.637 0.005 1
1 659 . 4 1 1 A 52 52 ILE C C 52 176.427 177.866 -1.439 1
1 660 . 4 1 1 A 52 52 ILE CA C 52 61.984 65.396 -3.412 1
1 661 . 4 1 1 A 52 52 ILE CB C 52 34.990 37.616 -2.626 1
1 665 . 4 1 1 A 52 52 ILE N N 52 123.838 122.184 1.654 1
1 666 . 4 1 1 A 53 53 ASP H H 53 8.092 8.384 -0.292 1
1 667 . 4 1 1 A 53 53 ASP HA H 53 4.225 4.368 -0.143 1
1 670 . 4 1 1 A 53 53 ASP C C 53 178.227 177.814 0.413 1
1 671 . 4 1 1 A 53 53 ASP CA C 53 56.606 56.972 -0.366 1
1 672 . 4 1 1 A 53 53 ASP CB C 53 39.034 40.916 -1.882 1
1 673 . 4 1 1 A 53 53 ASP N N 53 121.313 121.674 -0.361 1
1 674 . 4 1 1 A 54 54 ASP H H 54 7.811 7.805 0.006 1
1 675 . 4 1 1 A 54 54 ASP HA H 54 4.253 4.464 -0.211 1
1 678 . 4 1 1 A 54 54 ASP C C 54 177.927 178.611 -0.684 1
1 679 . 4 1 1 A 54 54 ASP CA C 54 56.467 56.520 -0.053 1
1 680 . 4 1 1 A 54 54 ASP CB C 54 39.401 40.577 -1.176 1
1 681 . 4 1 1 A 54 54 ASP N N 54 120.122 119.626 0.496 1
1 682 . 4 1 1 A 55 55 LEU H H 55 7.789 8.284 -0.495 1
1 683 . 4 1 1 A 55 55 LEU HA H 55 3.979 3.955 0.024 1
1 693 . 4 1 1 A 55 55 LEU C C 55 178.027 178.989 -0.962 1
1 694 . 4 1 1 A 55 55 LEU CA C 55 56.713 57.986 -1.273 1
1 695 . 4 1 1 A 55 55 LEU CB C 55 40.799 41.240 -0.441 1
1 699 . 4 1 1 A 55 55 LEU N N 55 122.944 120.000 2.944 1
1 700 . 4 1 1 A 56 56 MET H H 56 8.601 8.526 0.075 1
1 701 . 4 1 1 A 56 56 MET HA H 56 3.827 4.139 -0.312 1
1 709 . 4 1 1 A 56 56 MET C C 56 177.027 178.133 -1.106 1
1 710 . 4 1 1 A 56 56 MET CA C 56 57.116 58.191 -1.075 1
1 711 . 4 1 1 A 56 56 MET CB C 56 29.825 32.054 -2.229 1
1 714 . 4 1 1 A 56 56 MET N N 56 117.863 118.600 -0.737 1
1 715 . 4 1 1 A 57 57 LYS H H 57 7.693 7.521 0.172 1
1 716 . 4 1 1 A 57 57 LYS HA H 57 3.954 4.197 -0.243 1
1 725 . 4 1 1 A 57 57 LYS C C 57 178.127 178.894 -0.767 1
1 726 . 4 1 1 A 57 57 LYS CA C 57 58.352 58.545 -0.193 1
1 727 . 4 1 1 A 57 57 LYS CB C 57 31.315 32.462 -1.147 1
1 731 . 4 1 1 A 57 57 LYS N N 57 116.455 119.764 -3.309 1
1 732 . 4 1 1 A 58 58 SER H H 58 7.661 7.812 -0.151 1
1 733 . 4 1 1 A 58 58 SER HA H 58 4.115 4.353 -0.238 1
1 736 . 4 1 1 A 58 58 SER C C 58 174.827 177.455 -2.628 1
1 737 . 4 1 1 A 58 58 SER CA C 58 59.986 61.080 -1.094 1
1 738 . 4 1 1 A 58 58 SER CB C 58 62.464 62.935 -0.471 1
1 739 . 4 1 1 A 58 58 SER N N 58 113.020 114.941 -1.921 1
1 740 . 4 1 1 A 59 59 LEU H H 59 7.917 8.139 -0.222 1
1 741 . 4 1 1 A 59 59 LEU HA H 59 4.269 4.234 0.035 1
1 751 . 4 1 1 A 59 59 LEU C C 59 177.627 177.137 0.490 1
1 752 . 4 1 1 A 59 59 LEU CA C 59 54.402 57.419 -3.017 1
1 753 . 4 1 1 A 59 59 LEU CB C 59 43.731 42.419 1.312 1
1 757 . 4 1 1 A 59 59 LEU N N 59 117.463 119.404 -1.941 1
1 758 . 4 1 1 A 60 60 ASP H H 60 8.025 7.939 0.086 1
1 759 . 4 1 1 A 60 60 ASP HA H 60 4.566 4.645 -0.079 1
1 762 . 4 1 1 A 60 60 ASP C C 60 176.627 175.462 1.165 1
1 763 . 4 1 1 A 60 60 ASP CA C 60 52.335 54.629 -2.294 1
1 764 . 4 1 1 A 60 60 ASP CB C 60 38.139 41.965 -3.826 1
1 765 . 4 1 1 A 60 60 ASP N N 60 117.588 118.451 -0.863 1
1 766 . 4 1 1 A 61 61 LYS H H 61 8.100 9.007 -0.907 1
1 767 . 4 1 1 A 61 61 LYS HA H 61 4.035 4.528 -0.493 1
1 776 . 4 1 1 A 61 61 LYS C C 61 176.727 178.002 -1.275 1
1 777 . 4 1 1 A 61 61 LYS CA C 61 56.887 57.129 -0.242 1
1 778 . 4 1 1 A 61 61 LYS CB C 61 31.653 34.543 -2.890 1
1 782 . 4 1 1 A 61 61 LYS N N 61 126.943 125.658 1.285 1
1 783 . 4 1 1 A 62 62 ASN H H 62 7.864 8.191 -0.327 1
1 784 . 4 1 1 A 62 62 ASN HA H 62 4.759 4.818 -0.059 1
1 789 . 4 1 1 A 62 62 ASN C C 62 173.727 175.111 -1.384 1
1 790 . 4 1 1 A 62 62 ASN CA C 62 50.660 54.851 -4.191 1
1 791 . 4 1 1 A 62 62 ASN CB C 62 35.920 38.499 -2.579 1
1 792 . 4 1 1 A 62 62 ASN N N 62 113.588 114.584 -0.996 1
1 794 . 4 1 1 A 63 63 SER H H 63 7.613 7.710 -0.097 1
1 795 . 4 1 1 A 63 63 SER HA H 63 3.962 4.682 -0.720 1
1 798 . 4 1 1 A 63 63 SER C C 63 172.927 174.000 -1.073 1
1 799 . 4 1 1 A 63 63 SER CA C 63 58.262 59.477 -1.215 1
1 800 . 4 1 1 A 63 63 SER CB C 63 60.708 61.131 -0.423 1
1 801 . 4 1 1 A 63 63 SER N N 63 111.592 110.852 0.740 1
1 802 . 4 1 1 A 64 64 ASP H H 64 8.217 8.127 0.090 1
1 803 . 4 1 1 A 64 64 ASP HA H 64 4.653 4.552 0.101 1
1 806 . 4 1 1 A 64 64 ASP C C 64 175.927 176.546 -0.619 1
1 807 . 4 1 1 A 64 64 ASP CA C 64 51.641 53.451 -1.810 1
1 808 . 4 1 1 A 64 64 ASP CB C 64 39.385 40.937 -1.552 1
1 809 . 4 1 1 A 64 64 ASP N N 64 118.913 119.253 -0.340 1
1 810 . 4 1 1 A 65 65 GLN H H 65 10.239 7.937 2.302 1
1 811 . 4 1 1 A 65 65 GLN HA H 65 3.356 3.940 -0.584 1
1 818 . 4 1 1 A 65 65 GLN C C 65 172.627 174.754 -2.127 1
1 819 . 4 1 1 A 65 65 GLN CA C 65 56.325 57.395 -1.070 1
1 820 . 4 1 1 A 65 65 GLN CB C 65 24.910 26.586 -1.676 1
1 822 . 4 1 1 A 65 65 GLN N N 65 114.908 114.342 0.566 1
1 824 . 4 1 1 A 66 66 GLU H H 66 7.710 7.981 -0.271 1
1 825 . 4 1 1 A 66 66 GLU HA H 66 4.691 4.784 -0.093 1
1 830 . 4 1 1 A 66 66 GLU C C 66 174.127 175.507 -1.380 1
1 831 . 4 1 1 A 66 66 GLU CA C 66 52.987 55.382 -2.395 1
1 832 . 4 1 1 A 66 66 GLU CB C 66 32.433 31.237 1.196 1
1 834 . 4 1 1 A 66 66 GLU N N 66 115.721 118.640 -2.919 1
1 835 . 4 1 1 A 67 67 ILE H H 67 9.938 9.089 0.849 1
1 836 . 4 1 1 A 67 67 ILE HA H 67 5.291 4.974 0.317 1
1 846 . 4 1 1 A 67 67 ILE C C 67 175.627 174.876 0.751 1
1 847 . 4 1 1 A 67 67 ILE CA C 67 56.241 60.339 -4.098 1
1 848 . 4 1 1 A 67 67 ILE CB C 67 35.492 37.981 -2.489 1
1 852 . 4 1 1 A 67 67 ILE N N 67 125.901 125.304 0.597 1
1 853 . 4 1 1 A 68 68 ASP H H 68 8.794 8.796 -0.002 1
1 854 . 4 1 1 A 68 68 ASP HA H 68 5.002 4.829 0.173 1
1 857 . 4 1 1 A 68 68 ASP C C 68 174.427 177.435 -3.008 1
1 858 . 4 1 1 A 68 68 ASP CA C 68 51.563 54.497 -2.934 1
1 859 . 4 1 1 A 68 68 ASP CB C 68 40.493 42.685 -2.192 1
1 860 . 4 1 1 A 68 68 ASP N N 68 127.844 128.509 -0.665 1
1 861 . 4 1 1 A 69 69 PHE H H 69 9.068 9.234 -0.166 1
1 862 . 4 1 1 A 69 69 PHE HA H 69 3.130 4.012 -0.882 1
1 869 . 4 1 1 A 69 69 PHE C C 69 176.827 177.685 -0.858 1
1 870 . 4 1 1 A 69 69 PHE CA C 69 62.478 61.911 0.567 1
1 871 . 4 1 1 A 69 69 PHE CB C 69 38.096 39.215 -1.119 1
1 872 . 4 1 1 A 69 69 PHE N N 69 118.955 127.338 -8.383 1
1 873 . 4 1 1 A 70 70 LYS H H 70 8.123 8.153 -0.030 1
1 874 . 4 1 1 A 70 70 LYS HA H 70 3.871 4.199 -0.328 1
1 883 . 4 1 1 A 70 70 LYS C C 70 179.527 178.850 0.677 1
1 884 . 4 1 1 A 70 70 LYS CA C 70 59.457 58.296 1.161 1
1 885 . 4 1 1 A 70 70 LYS CB C 70 30.772 31.349 -0.577 1
1 889 . 4 1 1 A 70 70 LYS N N 70 120.287 117.823 2.464 1
1 890 . 4 1 1 A 71 71 GLU H H 71 8.746 8.335 0.411 1
1 891 . 4 1 1 A 71 71 GLU HA H 71 4.099 4.183 -0.084 1
1 896 . 4 1 1 A 71 71 GLU C C 71 179.127 178.792 0.335 1
1 897 . 4 1 1 A 71 71 GLU CA C 71 57.934 58.956 -1.022 1
1 898 . 4 1 1 A 71 71 GLU CB C 71 29.266 30.119 -0.853 1
1 900 . 4 1 1 A 71 71 GLU N N 71 122.207 119.463 2.744 1
1 901 . 4 1 1 A 72 72 TYR H H 72 8.879 8.399 0.480 1
1 902 . 4 1 1 A 72 72 TYR HA H 72 4.010 4.166 -0.156 1
1 909 . 4 1 1 A 72 72 TYR C C 72 175.927 178.424 -2.497 1
1 910 . 4 1 1 A 72 72 TYR CA C 72 58.551 61.871 -3.320 1
1 911 . 4 1 1 A 72 72 TYR CB C 72 38.072 38.883 -0.811 1
1 912 . 4 1 1 A 72 72 TYR N N 72 121.813 121.957 -0.144 1
1 913 . 4 1 1 A 73 73 SER H H 73 8.414 8.451 -0.037 1
1 914 . 4 1 1 A 73 73 SER HA H 73 3.462 4.148 -0.686 1
1 917 . 4 1 1 A 73 73 SER C C 73 175.127 176.817 -1.690 1
1 918 . 4 1 1 A 73 73 SER CA C 73 61.876 60.900 0.976 1
1 919 . 4 1 1 A 73 73 SER CB C 73 61.327 63.372 -2.045 1
1 920 . 4 1 1 A 73 73 SER N N 73 117.840 114.237 3.603 1
1 921 . 4 1 1 A 74 74 VAL H H 74 7.363 8.438 -1.075 1
1 922 . 4 1 1 A 74 74 VAL HA H 74 3.584 3.731 -0.147 1
1 930 . 4 1 1 A 74 74 VAL C C 74 178.027 177.906 0.121 1
1 931 . 4 1 1 A 74 74 VAL CA C 74 65.397 65.274 0.123 1
1 932 . 4 1 1 A 74 74 VAL CB C 74 30.300 31.161 -0.861 1
1 935 . 4 1 1 A 74 74 VAL N N 74 123.439 120.210 3.229 1
1 936 . 4 1 1 A 75 75 PHE H H 75 7.282 8.231 -0.949 1
1 937 . 4 1 1 A 75 75 PHE HA H 75 4.562 4.157 0.405 1
1 945 . 4 1 1 A 75 75 PHE C C 75 176.127 176.975 -0.848 1
1 946 . 4 1 1 A 75 75 PHE CA C 75 57.851 61.287 -3.436 1
1 947 . 4 1 1 A 75 75 PHE CB C 75 36.863 39.157 -2.294 1
1 948 . 4 1 1 A 75 75 PHE N N 75 122.766 122.005 0.761 1
1 949 . 4 1 1 A 76 76 LEU H H 76 7.823 8.185 -0.362 1
1 950 . 4 1 1 A 76 76 LEU HA H 76 3.445 3.488 -0.043 1
1 960 . 4 1 1 A 76 76 LEU C C 76 178.927 179.390 -0.463 1
1 961 . 4 1 1 A 76 76 LEU CA C 76 56.891 57.705 -0.814 1
1 962 . 4 1 1 A 76 76 LEU CB C 76 39.917 41.208 -1.291 1
1 966 . 4 1 1 A 76 76 LEU N N 76 115.619 119.014 -3.395 1
1 967 . 4 1 1 A 77 77 THR H H 77 7.858 8.147 -0.289 1
1 968 . 4 1 1 A 77 77 THR HA H 77 3.665 3.784 -0.119 1
1 974 . 4 1 1 A 77 77 THR C C 77 175.427 176.640 -1.213 1
1 975 . 4 1 1 A 77 77 THR CA C 77 66.127 66.421 -0.294 1
1 976 . 4 1 1 A 77 77 THR CB C 77 67.585 68.501 -0.916 1
1 978 . 4 1 1 A 77 77 THR N N 77 113.417 116.124 -2.707 1
1 979 . 4 1 1 A 78 78 MET H H 78 7.970 8.223 -0.253 1
1 980 . 4 1 1 A 78 78 MET HA H 78 3.935 3.987 -0.052 1
1 988 . 4 1 1 A 78 78 MET C C 78 179.127 178.845 0.282 1
1 989 . 4 1 1 A 78 78 MET CA C 78 58.780 58.869 -0.089 1
1 990 . 4 1 1 A 78 78 MET CB C 78 31.501 32.897 -1.396 1
1 993 . 4 1 1 A 78 78 MET N N 78 122.745 118.307 4.438 1
1 994 . 4 1 1 A 79 79 LEU H H 79 7.898 8.283 -0.385 1
1 995 . 4 1 1 A 79 79 LEU HA H 79 3.870 3.886 -0.016 1
1 1005 . 4 1 1 A 79 79 LEU C C 79 178.427 178.478 -0.051 1
1 1006 . 4 1 1 A 79 79 LEU CA C 79 56.843 57.797 -0.954 1
1 1007 . 4 1 1 A 79 79 LEU CB C 79 41.099 41.358 -0.259 1
1 1011 . 4 1 1 A 79 79 LEU N N 79 120.989 119.449 1.540 1
1 1012 . 4 1 1 A 80 80 CYS H H 80 8.400 8.087 0.313 1
1 1013 . 4 1 1 A 80 80 CYS HA H 80 3.830 4.038 -0.208 1
1 1017 . 4 1 1 A 80 80 CYS C C 80 175.927 177.485 -1.558 1
1 1018 . 4 1 1 A 80 80 CYS CA C 80 64.044 62.547 1.497 1
1 1019 . 4 1 1 A 80 80 CYS CB C 80 25.626 26.414 -0.788 1
1 1020 . 4 1 1 A 80 80 CYS N N 80 117.746 116.853 0.893 1
1 1021 . 4 1 1 A 81 81 MET H H 81 8.295 8.606 -0.311 1
1 1022 . 4 1 1 A 81 81 MET HA H 81 4.023 4.158 -0.135 1
1 1030 . 4 1 1 A 81 81 MET C C 81 177.327 178.084 -0.757 1
1 1031 . 4 1 1 A 81 81 MET CA C 81 57.601 58.824 -1.223 1
1 1032 . 4 1 1 A 81 81 MET CB C 81 30.668 32.704 -2.036 1
1 1035 . 4 1 1 A 81 81 MET N N 81 117.598 119.843 -2.245 1
1 1036 . 4 1 1 A 82 82 ALA H H 82 7.624 7.915 -0.291 1
1 1037 . 4 1 1 A 82 82 ALA HA H 82 4.061 4.151 -0.090 1
1 1041 . 4 1 1 A 82 82 ALA C C 82 179.627 179.667 -0.040 1
1 1042 . 4 1 1 A 82 82 ALA CA C 82 53.856 55.358 -1.502 1
1 1043 . 4 1 1 A 82 82 ALA CB C 82 16.794 18.758 -1.964 1
1 1044 . 4 1 1 A 82 82 ALA N N 82 121.886 121.324 0.562 1
1 1045 . 4 1 1 A 83 83 TYR H H 83 8.476 8.164 0.312 1
1 1046 . 4 1 1 A 83 83 TYR HA H 83 4.147 4.354 -0.207 1
1 1053 . 4 1 1 A 83 83 TYR C C 83 178.127 178.327 -0.200 1
1 1054 . 4 1 1 A 83 83 TYR CA C 83 60.066 61.539 -1.473 1
1 1055 . 4 1 1 A 83 83 TYR CB C 83 36.546 37.481 -0.935 1
1 1056 . 4 1 1 A 83 83 TYR N N 83 119.136 116.256 2.880 1
1 1057 . 4 1 1 A 84 84 ASN H H 84 8.386 8.676 -0.290 1
1 1058 . 4 1 1 A 84 84 ASN HA H 84 4.221 4.428 -0.207 1
1 1063 . 4 1 1 A 84 84 ASN C C 84 175.427 177.209 -1.782 1
1 1064 . 4 1 1 A 84 84 ASN CA C 84 56.123 56.894 -0.771 1
1 1065 . 4 1 1 A 84 84 ASN CB C 84 37.387 38.937 -1.550 1
1 1066 . 4 1 1 A 84 84 ASN N N 84 120.692 119.839 0.853 1
1 1068 . 4 1 1 A 85 85 ASP H H 85 7.611 7.957 -0.346 1
1 1069 . 4 1 1 A 85 85 ASP HA H 85 4.234 4.373 -0.139 1
1 1072 . 4 1 1 A 85 85 ASP C C 85 178.227 178.333 -0.106 1
1 1073 . 4 1 1 A 85 85 ASP CA C 85 56.752 57.343 -0.591 1
1 1074 . 4 1 1 A 85 85 ASP CB C 85 38.688 41.475 -2.787 1
1 1075 . 4 1 1 A 85 85 ASP N N 85 118.378 118.978 -0.600 1
1 1076 . 4 1 1 A 86 86 PHE H H 86 7.538 8.270 -0.732 1
1 1077 . 4 1 1 A 86 86 PHE HA H 86 4.291 4.242 0.049 1
1 1084 . 4 1 1 A 86 86 PHE C C 86 176.627 177.465 -0.838 1
1 1085 . 4 1 1 A 86 86 PHE CA C 86 58.743 61.361 -2.618 1
1 1086 . 4 1 1 A 86 86 PHE CB C 86 37.488 38.675 -1.187 1
1 1087 . 4 1 1 A 86 86 PHE N N 86 118.712 120.284 -1.572 1
1 1088 . 4 1 1 A 87 87 PHE H H 87 8.132 8.249 -0.117 1
1 1089 . 4 1 1 A 87 87 PHE HA H 87 3.906 4.122 -0.216 1
1 1096 . 4 1 1 A 87 87 PHE C C 87 176.627 177.191 -0.564 1
1 1097 . 4 1 1 A 87 87 PHE CA C 87 59.554 61.750 -2.196 1
1 1098 . 4 1 1 A 87 87 PHE CB C 87 38.017 39.426 -1.409 1
1 1099 . 4 1 1 A 87 87 PHE N N 87 121.649 119.771 1.878 1
1 1100 . 4 1 1 A 88 88 LEU H H 88 7.953 8.103 -0.150 1
1 1101 . 4 1 1 A 88 88 LEU HA H 88 3.775 4.118 -0.343 1
1 1111 . 4 1 1 A 88 88 LEU C C 88 177.627 177.782 -0.155 1
1 1112 . 4 1 1 A 88 88 LEU CA C 88 55.078 56.891 -1.813 1
1 1113 . 4 1 1 A 88 88 LEU CB C 88 41.226 41.714 -0.488 1
1 1117 . 4 1 1 A 88 88 LEU N N 88 118.897 119.135 -0.238 1
1 1118 . 4 1 1 A 89 89 GLU H H 89 7.475 7.699 -0.224 1
1 1119 . 4 1 1 A 89 89 GLU HA H 89 3.914 4.200 -0.286 1
1 1124 . 4 1 1 A 89 89 GLU C C 89 176.127 176.690 -0.563 1
1 1125 . 4 1 1 A 89 89 GLU CA C 89 56.926 57.297 -0.371 1
1 1126 . 4 1 1 A 89 89 GLU CB C 89 28.567 30.080 -1.513 1
1 1128 . 4 1 1 A 89 89 GLU N N 89 119.332 118.791 0.541 1
1 1129 . 4 1 1 A 90 90 ASP H H 90 7.750 8.251 -0.501 1
1 1130 . 4 1 1 A 90 90 ASP HA H 90 4.370 4.865 -0.495 1
1 1133 . 4 1 1 A 90 90 ASP C C 90 175.227 177.383 -2.156 1
1 1134 . 4 1 1 A 90 90 ASP CA C 90 53.593 55.289 -1.696 1
1 1135 . 4 1 1 A 90 90 ASP CB C 90 40.323 42.303 -1.980 1
1 1136 . 4 1 1 A 90 90 ASP N N 90 118.945 120.483 -1.538 1
1 1137 . 4 1 1 A 91 91 ASN H H 91 7.681 7.612 0.069 1
1 1138 . 4 1 1 A 91 91 ASN HA H 91 4.495 4.773 -0.278 1
1 1143 . 4 1 1 A 91 91 ASN C C 91 173.027 174.569 -1.542 1
1 1144 . 4 1 1 A 91 91 ASN CA C 91 52.041 52.837 -0.796 1
1 1145 . 4 1 1 A 91 91 ASN CB C 91 38.072 38.497 -0.425 1
1 1146 . 4 1 1 A 91 91 ASN N N 91 118.171 115.552 2.619 1
1 10 . 5 1 1 A 2 2 GLU H H 2 8.776 8.621 0.155 1
1 11 . 5 1 1 A 2 2 GLU HA H 2 4.535 4.841 -0.306 1
1 16 . 5 1 1 A 2 2 GLU C C 2 175.627 176.382 -0.755 1
1 17 . 5 1 1 A 2 2 GLU CA C 2 55.573 54.592 0.981 1
1 18 . 5 1 1 A 2 2 GLU CB C 2 30.569 33.695 -3.126 1
1 20 . 5 1 1 A 2 2 GLU N N 2 124.305 120.418 3.887 1
1 21 . 5 1 1 A 3 3 THR H H 3 8.835 9.057 -0.222 1
1 22 . 5 1 1 A 3 3 THR HA H 3 4.608 4.466 0.142 1
1 27 . 5 1 1 A 3 3 THR CA C 3 59.187 60.718 -1.531 1
1 28 . 5 1 1 A 3 3 THR CB C 3 67.385 68.863 -1.478 1
1 30 . 5 1 1 A 3 3 THR N N 3 116.176 115.835 0.341 1
1 31 . 5 1 1 A 4 4 PRO HA H 4 4.158 4.485 -0.327 1
1 38 . 5 1 1 A 4 4 PRO C C 4 179.327 177.961 1.366 1
1 39 . 5 1 1 A 4 4 PRO CA C 4 65.040 64.439 0.601 1
1 40 . 5 1 1 A 4 4 PRO CB C 4 30.616 31.717 -1.101 1
1 43 . 5 1 1 A 5 5 LEU H H 5 8.794 7.635 1.159 1
1 44 . 5 1 1 A 5 5 LEU HA H 5 3.944 4.040 -0.096 1
1 54 . 5 1 1 A 5 5 LEU C C 5 177.327 178.582 -1.255 1
1 55 . 5 1 1 A 5 5 LEU CA C 5 56.920 57.623 -0.703 1
1 56 . 5 1 1 A 5 5 LEU CB C 5 41.139 41.387 -0.248 1
1 60 . 5 1 1 A 5 5 LEU N N 5 118.892 117.229 1.663 1
1 61 . 5 1 1 A 6 6 GLU H H 6 7.664 8.089 -0.425 1
1 62 . 5 1 1 A 6 6 GLU HA H 6 3.744 3.876 -0.132 1
1 67 . 5 1 1 A 6 6 GLU C C 6 178.827 179.111 -0.284 1
1 68 . 5 1 1 A 6 6 GLU CA C 6 59.347 59.864 -0.517 1
1 69 . 5 1 1 A 6 6 GLU CB C 6 28.700 29.263 -0.563 1
1 71 . 5 1 1 A 6 6 GLU N N 6 118.741 117.362 1.379 1
1 72 . 5 1 1 A 7 7 LYS H H 7 8.435 8.171 0.264 1
1 73 . 5 1 1 A 7 7 LYS HA H 7 3.909 4.065 -0.156 1
1 82 . 5 1 1 A 7 7 LYS C C 7 178.527 178.621 -0.094 1
1 83 . 5 1 1 A 7 7 LYS CA C 7 58.539 58.469 0.070 1
1 84 . 5 1 1 A 7 7 LYS CB C 7 31.217 32.123 -0.906 1
1 88 . 5 1 1 A 7 7 LYS N N 7 119.285 119.574 -0.289 1
1 89 . 5 1 1 A 8 8 ALA H H 8 8.008 7.953 0.055 1
1 90 . 5 1 1 A 8 8 ALA HA H 8 4.038 4.082 -0.044 1
1 94 . 5 1 1 A 8 8 ALA C C 8 178.327 180.323 -1.996 1
1 95 . 5 1 1 A 8 8 ALA CA C 8 54.356 54.995 -0.639 1
1 96 . 5 1 1 A 8 8 ALA CB C 8 17.509 18.143 -0.634 1
1 97 . 5 1 1 A 8 8 ALA N N 8 123.866 122.310 1.556 1
1 98 . 5 1 1 A 9 9 LEU H H 9 8.163 8.317 -0.154 1
1 99 . 5 1 1 A 9 9 LEU HA H 9 3.809 3.952 -0.143 1
1 109 . 5 1 1 A 9 9 LEU C C 9 178.527 179.251 -0.724 1
1 110 . 5 1 1 A 9 9 LEU CA C 9 57.256 57.985 -0.729 1
1 111 . 5 1 1 A 9 9 LEU CB C 9 40.483 42.150 -1.667 1
1 115 . 5 1 1 A 9 9 LEU N N 9 119.134 117.888 1.246 1
1 116 . 5 1 1 A 10 10 THR H H 10 8.186 8.026 0.160 1
1 117 . 5 1 1 A 10 10 THR HA H 10 3.741 3.937 -0.196 1
1 122 . 5 1 1 A 10 10 THR C C 10 176.727 176.667 0.060 1
1 123 . 5 1 1 A 10 10 THR CA C 10 66.345 66.564 -0.219 1
1 124 . 5 1 1 A 10 10 THR CB C 10 67.558 68.825 -1.267 1
1 126 . 5 1 1 A 10 10 THR N N 10 114.355 115.625 -1.270 1
1 127 . 5 1 1 A 11 11 THR H H 11 8.387 8.450 -0.063 1
1 128 . 5 1 1 A 11 11 THR HA H 11 3.963 4.076 -0.113 1
1 133 . 5 1 1 A 11 11 THR C C 11 176.827 177.367 -0.540 1
1 134 . 5 1 1 A 11 11 THR CA C 11 65.801 65.466 0.335 1
1 135 . 5 1 1 A 11 11 THR CB C 11 67.140 68.788 -1.648 1
1 137 . 5 1 1 A 11 11 THR N N 11 120.801 113.863 6.938 1
1 138 . 5 1 1 A 12 12 MET H H 12 8.299 8.445 -0.146 1
1 139 . 5 1 1 A 12 12 MET HA H 12 3.872 4.302 -0.430 1
1 147 . 5 1 1 A 12 12 MET C C 12 177.827 178.523 -0.696 1
1 148 . 5 1 1 A 12 12 MET CA C 12 59.263 57.686 1.577 1
1 149 . 5 1 1 A 12 12 MET CB C 12 31.845 32.442 -0.597 1
1 152 . 5 1 1 A 12 12 MET N N 12 124.102 119.630 4.472 1
1 153 . 5 1 1 A 13 13 VAL H H 13 7.820 8.172 -0.352 1
1 154 . 5 1 1 A 13 13 VAL HA H 13 3.937 4.332 -0.395 1
1 162 . 5 1 1 A 13 13 VAL C C 13 177.127 178.318 -1.191 1
1 163 . 5 1 1 A 13 13 VAL CA C 13 65.677 66.178 -0.501 1
1 164 . 5 1 1 A 13 13 VAL CB C 13 31.656 31.572 0.084 1
1 167 . 5 1 1 A 13 13 VAL N N 13 119.838 116.572 3.266 1
1 168 . 5 1 1 A 14 14 THR H H 14 9.107 8.291 0.816 1
1 169 . 5 1 1 A 14 14 THR HA H 14 3.654 4.082 -0.428 1
1 174 . 5 1 1 A 14 14 THR C C 14 177.527 176.543 0.984 1
1 175 . 5 1 1 A 14 14 THR CA C 14 65.273 66.193 -0.920 1
1 176 . 5 1 1 A 14 14 THR CB C 14 67.652 68.569 -0.917 1
1 178 . 5 1 1 A 14 14 THR N N 14 112.247 116.808 -4.561 1
1 179 . 5 1 1 A 15 15 THR H H 15 8.189 8.495 -0.306 1
1 180 . 5 1 1 A 15 15 THR HA H 15 3.864 4.114 -0.250 1
1 186 . 5 1 1 A 15 15 THR C C 15 173.627 176.835 -3.208 1
1 187 . 5 1 1 A 15 15 THR CA C 15 66.930 65.965 0.965 1
1 188 . 5 1 1 A 15 15 THR CB C 15 66.539 68.336 -1.797 1
1 190 . 5 1 1 A 15 15 THR N N 15 117.691 112.629 5.062 1
1 191 . 5 1 1 A 16 16 PHE H H 16 6.850 8.198 -1.348 1
1 192 . 5 1 1 A 16 16 PHE HA H 16 3.417 4.181 -0.764 1
1 199 . 5 1 1 A 16 16 PHE C C 16 175.627 177.402 -1.775 1
1 200 . 5 1 1 A 16 16 PHE CA C 16 61.577 61.592 -0.015 1
1 201 . 5 1 1 A 16 16 PHE CB C 16 38.177 39.257 -1.080 1
1 202 . 5 1 1 A 16 16 PHE N N 16 120.169 124.088 -3.919 1
1 203 . 5 1 1 A 17 17 HIS H H 17 6.924 8.616 -1.692 1
1 204 . 5 1 1 A 17 17 HIS HA H 17 4.755 4.075 0.680 1
1 207 . 5 1 1 A 17 17 HIS C C 17 176.227 177.367 -1.140 1
1 208 . 5 1 1 A 17 17 HIS CA C 17 56.810 59.990 -3.180 1
1 209 . 5 1 1 A 17 17 HIS CB C 17 29.597 29.984 -0.387 1
1 210 . 5 1 1 A 17 17 HIS N N 17 115.499 117.374 -1.875 1
1 211 . 5 1 1 A 18 18 LYS H H 18 7.888 8.011 -0.123 1
1 212 . 5 1 1 A 18 18 LYS HA H 18 3.870 3.879 -0.009 1
1 221 . 5 1 1 A 18 18 LYS C C 18 176.927 178.725 -1.798 1
1 222 . 5 1 1 A 18 18 LYS CA C 18 57.897 59.147 -1.250 1
1 223 . 5 1 1 A 18 18 LYS CB C 18 31.582 31.905 -0.323 1
1 227 . 5 1 1 A 18 18 LYS N N 18 121.217 120.176 1.041 1
1 228 . 5 1 1 A 19 19 TYR H H 19 6.928 8.120 -1.192 1
1 229 . 5 1 1 A 19 19 TYR HA H 19 4.163 4.161 0.002 1
1 234 . 5 1 1 A 19 19 TYR C C 19 175.027 178.088 -3.061 1
1 235 . 5 1 1 A 19 19 TYR CA C 19 59.335 60.667 -1.332 1
1 236 . 5 1 1 A 19 19 TYR CB C 19 39.515 38.167 1.348 1
1 237 . 5 1 1 A 19 19 TYR N N 19 114.488 119.386 -4.898 1
1 238 . 5 1 1 A 20 20 SER H H 20 8.021 8.439 -0.418 1
1 239 . 5 1 1 A 20 20 SER HA H 20 3.105 4.184 -1.079 1
1 242 . 5 1 1 A 20 20 SER C C 20 176.527 176.665 -0.138 1
1 243 . 5 1 1 A 20 20 SER CA C 20 60.457 60.828 -0.371 1
1 244 . 5 1 1 A 20 20 SER CB C 20 60.326 62.653 -2.327 1
1 245 . 5 1 1 A 20 20 SER N N 20 112.624 114.949 -2.325 1
1 246 . 5 1 1 A 21 21 GLY H H 21 7.908 7.675 0.233 1
1 247 . 5 1 1 A 21 21 GLY HA2 H 21 4.197 3.883 0.314 1
1 248 . 5 1 1 A 21 21 GLY HA3 H 21 3.761 3.912 -0.151 1
1 249 . 5 1 1 A 21 21 GLY C C 21 173.027 174.432 -1.405 1
1 250 . 5 1 1 A 21 21 GLY CA C 21 44.357 45.601 -1.244 1
1 251 . 5 1 1 A 21 21 GLY N N 21 112.095 107.251 4.844 1
1 252 . 5 1 1 A 22 22 ARG H H 22 7.470 7.774 -0.304 1
1 253 . 5 1 1 A 22 22 ARG HA H 22 3.956 4.472 -0.516 1
1 260 . 5 1 1 A 22 22 ARG C C 22 176.327 175.576 0.751 1
1 261 . 5 1 1 A 22 22 ARG CA C 22 58.189 54.852 3.337 1
1 262 . 5 1 1 A 22 22 ARG CB C 22 29.483 28.404 1.079 1
1 265 . 5 1 1 A 22 22 ARG N N 22 122.481 119.489 2.992 1
1 266 . 5 1 1 A 23 23 GLU H H 23 9.412 8.299 1.113 1
1 267 . 5 1 1 A 23 23 GLU HA H 23 4.626 4.277 0.349 1
1 272 . 5 1 1 A 23 23 GLU C C 23 175.027 175.667 -0.640 1
1 273 . 5 1 1 A 23 23 GLU CA C 23 53.319 58.569 -5.250 1
1 274 . 5 1 1 A 23 23 GLU CB C 23 32.032 28.465 3.567 1
1 276 . 5 1 1 A 23 23 GLU N N 23 116.123 117.192 -1.069 1
1 277 . 5 1 1 A 24 24 GLY H H 24 9.080 8.491 0.589 1
1 278 . 5 1 1 A 24 24 GLY HA2 H 24 3.694 3.827 -0.133 1
1 279 . 5 1 1 A 24 24 GLY HA3 H 24 3.878 3.872 0.006 1
1 280 . 5 1 1 A 24 24 GLY C C 24 172.827 173.608 -0.781 1
1 281 . 5 1 1 A 24 24 GLY CA C 24 44.707 45.659 -0.952 1
1 282 . 5 1 1 A 24 24 GLY N N 24 114.015 109.750 4.265 1
1 283 . 5 1 1 A 25 25 SER H H 25 8.465 8.962 -0.497 1
1 284 . 5 1 1 A 25 25 SER HA H 25 4.312 4.589 -0.277 1
1 287 . 5 1 1 A 25 25 SER C C 25 178.027 175.286 2.741 1
1 288 . 5 1 1 A 25 25 SER CA C 25 57.478 57.747 -0.269 1
1 289 . 5 1 1 A 25 25 SER CB C 25 61.941 64.019 -2.078 1
1 290 . 5 1 1 A 25 25 SER N N 25 117.299 118.430 -1.131 1
1 291 . 5 1 1 A 26 26 LYS H H 26 9.532 8.771 0.761 1
1 292 . 5 1 1 A 26 26 LYS HA H 26 4.660 4.083 0.577 1
1 301 . 5 1 1 A 26 26 LYS C C 26 176.127 176.981 -0.854 1
1 302 . 5 1 1 A 26 26 LYS CA C 26 56.928 57.897 -0.969 1
1 303 . 5 1 1 A 26 26 LYS CB C 26 30.526 32.192 -1.666 1
1 307 . 5 1 1 A 26 26 LYS N N 26 131.209 122.099 9.110 1
1 308 . 5 1 1 A 27 27 LEU H H 27 8.643 7.756 0.887 1
1 309 . 5 1 1 A 27 27 LEU HA H 27 4.583 4.483 0.100 1
1 319 . 5 1 1 A 27 27 LEU C C 27 174.827 176.500 -1.673 1
1 320 . 5 1 1 A 27 27 LEU CA C 27 53.205 55.459 -2.254 1
1 321 . 5 1 1 A 27 27 LEU CB C 27 41.824 43.078 -1.254 1
1 325 . 5 1 1 A 27 27 LEU N N 27 118.729 120.580 -1.851 1
1 326 . 5 1 1 A 28 28 THR H H 28 7.037 7.025 0.012 1
1 327 . 5 1 1 A 28 28 THR HA H 28 5.168 5.372 -0.204 1
1 332 . 5 1 1 A 28 28 THR C C 28 172.727 172.179 0.548 1
1 333 . 5 1 1 A 28 28 THR CA C 28 57.915 59.989 -2.074 1
1 334 . 5 1 1 A 28 28 THR CB C 28 71.934 71.784 0.150 1
1 336 . 5 1 1 A 28 28 THR N N 28 104.663 110.020 -5.357 1
1 337 . 5 1 1 A 29 29 LEU H H 29 9.517 8.714 0.803 1
1 338 . 5 1 1 A 29 29 LEU HA H 29 5.196 4.637 0.559 1
1 348 . 5 1 1 A 29 29 LEU C C 29 175.527 175.964 -0.437 1
1 349 . 5 1 1 A 29 29 LEU CA C 29 51.653 53.492 -1.839 1
1 350 . 5 1 1 A 29 29 LEU CB C 29 42.301 42.262 0.039 1
1 354 . 5 1 1 A 29 29 LEU N N 29 125.388 125.566 -0.178 1
1 355 . 5 1 1 A 30 30 SER H H 30 10.053 8.993 1.060 1
1 356 . 5 1 1 A 30 30 SER HA H 30 4.475 4.791 -0.316 1
1 359 . 5 1 1 A 30 30 SER C C 30 173.427 175.054 -1.627 1
1 360 . 5 1 1 A 30 30 SER CA C 30 55.011 57.725 -2.714 1
1 361 . 5 1 1 A 30 30 SER CB C 30 64.446 64.082 0.364 1
1 362 . 5 1 1 A 30 30 SER N N 30 121.114 119.969 1.145 1
1 363 . 5 1 1 A 31 31 ARG H H 31 8.992 8.884 0.108 1
1 364 . 5 1 1 A 31 31 ARG HA H 31 3.923 3.920 0.003 1
1 371 . 5 1 1 A 31 31 ARG C C 31 177.027 177.980 -0.953 1
1 372 . 5 1 1 A 31 31 ARG CA C 31 59.408 58.699 0.709 1
1 373 . 5 1 1 A 31 31 ARG CB C 31 29.041 29.976 -0.935 1
1 376 . 5 1 1 A 31 31 ARG N N 31 120.513 126.336 -5.823 1
1 377 . 5 1 1 A 32 32 LYS H H 32 7.845 8.040 -0.195 1
1 378 . 5 1 1 A 32 32 LYS HA H 32 3.826 4.100 -0.274 1
1 387 . 5 1 1 A 32 32 LYS C C 32 178.927 178.850 0.077 1
1 388 . 5 1 1 A 32 32 LYS CA C 32 58.677 58.860 -0.183 1
1 389 . 5 1 1 A 32 32 LYS CB C 32 31.964 32.571 -0.607 1
1 393 . 5 1 1 A 32 32 LYS N N 32 117.011 117.568 -0.557 1
1 394 . 5 1 1 A 33 33 GLU H H 33 7.612 8.082 -0.470 1
1 395 . 5 1 1 A 33 33 GLU HA H 33 3.954 3.950 0.004 1
1 400 . 5 1 1 A 33 33 GLU C C 33 177.227 178.981 -1.754 1
1 401 . 5 1 1 A 33 33 GLU CA C 33 58.289 59.054 -0.765 1
1 402 . 5 1 1 A 33 33 GLU CB C 33 29.757 29.068 0.689 1
1 404 . 5 1 1 A 33 33 GLU N N 33 120.815 119.807 1.008 1
1 405 . 5 1 1 A 34 34 LEU H H 34 8.694 8.216 0.478 1
1 406 . 5 1 1 A 34 34 LEU HA H 34 3.811 3.871 -0.060 1
1 416 . 5 1 1 A 34 34 LEU C C 34 176.927 178.582 -1.655 1
1 417 . 5 1 1 A 34 34 LEU CA C 34 57.025 57.745 -0.720 1
1 418 . 5 1 1 A 34 34 LEU CB C 34 40.638 41.423 -0.785 1
1 422 . 5 1 1 A 34 34 LEU N N 34 119.291 121.272 -1.981 1
1 423 . 5 1 1 A 35 35 LYS H H 35 8.114 8.169 -0.055 1
1 424 . 5 1 1 A 35 35 LYS HA H 35 3.569 3.695 -0.126 1
1 433 . 5 1 1 A 35 35 LYS C C 35 177.027 179.276 -2.249 1
1 434 . 5 1 1 A 35 35 LYS CA C 35 59.419 60.395 -0.976 1
1 435 . 5 1 1 A 35 35 LYS CB C 35 31.271 32.224 -0.953 1
1 439 . 5 1 1 A 35 35 LYS N N 35 117.277 119.006 -1.729 1
1 440 . 5 1 1 A 36 36 GLU H H 36 7.560 8.022 -0.462 1
1 441 . 5 1 1 A 36 36 GLU HA H 36 3.845 4.076 -0.231 1
1 446 . 5 1 1 A 36 36 GLU C C 36 175.827 178.544 -2.717 1
1 447 . 5 1 1 A 36 36 GLU CA C 36 58.190 58.359 -0.169 1
1 448 . 5 1 1 A 36 36 GLU CB C 36 28.253 29.696 -1.443 1
1 450 . 5 1 1 A 36 36 GLU N N 36 119.302 119.497 -0.195 1
1 451 . 5 1 1 A 37 37 LEU H H 37 7.682 7.144 0.538 1
1 452 . 5 1 1 A 37 37 LEU HA H 37 2.280 3.778 -1.498 1
1 462 . 5 1 1 A 37 37 LEU C C 37 178.327 178.148 0.179 1
1 463 . 5 1 1 A 37 37 LEU CA C 37 58.225 56.926 1.299 1
1 464 . 5 1 1 A 37 37 LEU CB C 37 41.090 42.012 -0.922 1
1 468 . 5 1 1 A 37 37 LEU N N 37 121.690 120.153 1.537 1
1 469 . 5 1 1 A 38 38 ILE H H 38 8.157 7.885 0.272 1
1 470 . 5 1 1 A 38 38 ILE HA H 38 3.292 3.659 -0.367 1
1 480 . 5 1 1 A 38 38 ILE C C 38 177.027 178.452 -1.425 1
1 481 . 5 1 1 A 38 38 ILE CA C 38 65.007 65.736 -0.729 1
1 482 . 5 1 1 A 38 38 ILE CB C 38 37.187 37.791 -0.604 1
1 486 . 5 1 1 A 38 38 ILE N N 38 117.626 120.412 -2.786 1
1 487 . 5 1 1 A 39 39 LYS H H 39 8.068 8.020 0.048 1
1 488 . 5 1 1 A 39 39 LYS HA H 39 3.876 4.291 -0.415 1
1 497 . 5 1 1 A 39 39 LYS C C 39 177.927 177.320 0.607 1
1 498 . 5 1 1 A 39 39 LYS CA C 39 58.204 58.363 -0.159 1
1 499 . 5 1 1 A 39 39 LYS CB C 39 31.731 31.939 -0.208 1
1 503 . 5 1 1 A 39 39 LYS N N 39 117.909 119.169 -1.260 1
1 504 . 5 1 1 A 40 40 LYS H H 40 8.094 7.896 0.198 1
1 505 . 5 1 1 A 40 40 LYS HA H 40 4.248 4.426 -0.178 1
1 514 . 5 1 1 A 40 40 LYS C C 40 178.227 177.694 0.533 1
1 515 . 5 1 1 A 40 40 LYS CA C 40 56.291 56.096 0.195 1
1 516 . 5 1 1 A 40 40 LYS CB C 40 32.652 33.211 -0.559 1
1 520 . 5 1 1 A 40 40 LYS N N 40 114.323 118.228 -3.905 1
1 521 . 5 1 1 A 41 41 GLU H H 41 8.381 8.153 0.228 1
1 522 . 5 1 1 A 41 41 GLU HA H 41 4.744 4.338 0.406 1
1 527 . 5 1 1 A 41 41 GLU C C 41 176.227 176.882 -0.655 1
1 528 . 5 1 1 A 41 41 GLU CA C 41 55.054 58.323 -3.269 1
1 529 . 5 1 1 A 41 41 GLU CB C 41 29.598 30.676 -1.078 1
1 531 . 5 1 1 A 41 41 GLU N N 41 113.079 119.986 -6.907 1
1 532 . 5 1 1 A 42 42 LEU H H 42 7.544 7.752 -0.208 1
1 533 . 5 1 1 A 42 42 LEU HA H 42 4.754 4.552 0.202 1
1 542 . 5 1 1 A 42 42 LEU CA C 42 52.564 54.838 -2.274 1
1 543 . 5 1 1 A 42 42 LEU CB C 42 43.848 40.610 3.238 1
1 546 . 5 1 1 A 42 42 LEU N N 42 118.458 119.097 -0.639 1
1 547 . 5 1 1 A 43 43 CYS H H 43 8.342 8.361 -0.019 1
1 548 . 5 1 1 A 43 43 CYS HA H 43 4.486 4.190 0.296 1
1 551 . 5 1 1 A 43 43 CYS C C 43 174.327 176.901 -2.574 1
1 552 . 5 1 1 A 43 43 CYS CA C 43 57.655 61.799 -4.144 1
1 553 . 5 1 1 A 43 43 CYS CB C 43 25.653 27.791 -2.138 1
1 554 . 5 1 1 A 44 44 LEU H H 44 8.123 7.732 0.391 1
1 555 . 5 1 1 A 44 44 LEU HA H 44 4.339 4.195 0.144 1
1 565 . 5 1 1 A 44 44 LEU C C 44 176.927 177.041 -0.114 1
1 566 . 5 1 1 A 44 44 LEU CA C 44 53.750 55.896 -2.146 1
1 567 . 5 1 1 A 44 44 LEU CB C 44 40.784 42.461 -1.677 1
1 571 . 5 1 1 A 44 44 LEU N N 44 121.974 119.814 2.160 1
1 572 . 5 1 1 A 45 45 GLY H H 45 8.072 7.711 0.361 1
1 573 . 5 1 1 A 45 45 GLY HA2 H 45 3.889 3.880 0.009 1
1 574 . 5 1 1 A 45 45 GLY HA3 H 45 3.698 3.989 -0.291 1
1 575 . 5 1 1 A 45 45 GLY C C 45 173.127 175.753 -2.626 1
1 576 . 5 1 1 A 45 45 GLY CA C 45 44.291 45.552 -1.261 1
1 577 . 5 1 1 A 45 45 GLY N N 45 107.819 108.066 -0.247 1
1 578 . 5 1 1 A 46 46 GLU H H 46 8.472 8.537 -0.065 1
1 579 . 5 1 1 A 46 46 GLU HA H 46 4.048 4.331 -0.283 1
1 584 . 5 1 1 A 46 46 GLU C C 46 175.727 176.990 -1.263 1
1 585 . 5 1 1 A 46 46 GLU CA C 46 56.461 57.263 -0.802 1
1 586 . 5 1 1 A 46 46 GLU CB C 46 28.208 29.240 -1.032 1
1 588 . 5 1 1 A 46 46 GLU N N 46 120.563 118.686 1.877 1
1 589 . 5 1 1 A 47 47 MET H H 47 8.189 7.873 0.316 1
1 590 . 5 1 1 A 47 47 MET HA H 47 4.413 4.491 -0.078 1
1 598 . 5 1 1 A 47 47 MET C C 47 175.027 174.996 0.031 1
1 599 . 5 1 1 A 47 47 MET CA C 47 53.905 54.485 -0.580 1
1 600 . 5 1 1 A 47 47 MET CB C 47 32.611 31.376 1.235 1
1 603 . 5 1 1 A 47 47 MET N N 47 123.201 121.344 1.857 1
1 604 . 5 1 1 A 48 48 LYS H H 48 8.355 8.220 0.135 1
1 605 . 5 1 1 A 48 48 LYS HA H 48 4.237 4.635 -0.398 1
1 614 . 5 1 1 A 48 48 LYS C C 48 177.027 177.376 -0.349 1
1 615 . 5 1 1 A 48 48 LYS CA C 48 55.443 55.012 0.431 1
1 616 . 5 1 1 A 48 48 LYS CB C 48 32.173 34.410 -2.237 1
1 620 . 5 1 1 A 48 48 LYS N N 48 123.046 127.459 -4.413 1
1 621 . 5 1 1 A 49 49 GLU H H 49 8.742 8.845 -0.103 1
1 622 . 5 1 1 A 49 49 GLU HA H 49 3.884 3.940 -0.056 1
1 627 . 5 1 1 A 49 49 GLU C C 49 177.727 178.346 -0.619 1
1 628 . 5 1 1 A 49 49 GLU CA C 49 58.534 60.092 -1.558 1
1 629 . 5 1 1 A 49 49 GLU CB C 49 27.870 29.362 -1.492 1
1 631 . 5 1 1 A 49 49 GLU N N 49 122.407 125.250 -2.843 1
1 632 . 5 1 1 A 50 50 SER H H 50 8.324 8.031 0.293 1
1 633 . 5 1 1 A 50 50 SER HA H 50 4.188 4.245 -0.057 1
1 636 . 5 1 1 A 50 50 SER C C 50 175.427 176.333 -0.906 1
1 637 . 5 1 1 A 50 50 SER CA C 50 59.402 61.702 -2.300 1
1 638 . 5 1 1 A 50 50 SER CB C 50 61.442 63.084 -1.642 1
1 639 . 5 1 1 A 50 50 SER N N 50 112.475 116.860 -4.385 1
1 640 . 5 1 1 A 51 51 SER H H 51 7.400 7.995 -0.595 1
1 641 . 5 1 1 A 51 51 SER HA H 51 3.926 4.296 -0.370 1
1 644 . 5 1 1 A 51 51 SER C C 51 176.027 175.522 0.505 1
1 645 . 5 1 1 A 51 51 SER CA C 51 59.762 61.025 -1.263 1
1 646 . 5 1 1 A 51 51 SER CB C 51 60.955 63.196 -2.241 1
1 647 . 5 1 1 A 51 51 SER N N 51 118.432 117.995 0.437 1
1 648 . 5 1 1 A 52 52 ILE H H 52 7.790 7.398 0.392 1
1 649 . 5 1 1 A 52 52 ILE HA H 52 3.642 3.744 -0.102 1
1 659 . 5 1 1 A 52 52 ILE C C 52 176.427 177.349 -0.922 1
1 660 . 5 1 1 A 52 52 ILE CA C 52 61.984 64.125 -2.141 1
1 661 . 5 1 1 A 52 52 ILE CB C 52 34.990 36.703 -1.713 1
1 665 . 5 1 1 A 52 52 ILE N N 52 123.838 121.349 2.489 1
1 666 . 5 1 1 A 53 53 ASP H H 53 8.092 7.819 0.273 1
1 667 . 5 1 1 A 53 53 ASP HA H 53 4.225 4.373 -0.148 1
1 670 . 5 1 1 A 53 53 ASP C C 53 178.227 178.389 -0.162 1
1 671 . 5 1 1 A 53 53 ASP CA C 53 56.606 57.251 -0.645 1
1 672 . 5 1 1 A 53 53 ASP CB C 53 39.034 40.060 -1.026 1
1 673 . 5 1 1 A 53 53 ASP N N 53 121.313 121.643 -0.330 1
1 674 . 5 1 1 A 54 54 ASP H H 54 7.811 7.662 0.149 1
1 675 . 5 1 1 A 54 54 ASP HA H 54 4.253 4.386 -0.133 1
1 678 . 5 1 1 A 54 54 ASP C C 54 177.927 178.117 -0.190 1
1 679 . 5 1 1 A 54 54 ASP CA C 54 56.467 57.283 -0.816 1
1 680 . 5 1 1 A 54 54 ASP CB C 54 39.401 41.084 -1.683 1
1 681 . 5 1 1 A 54 54 ASP N N 54 120.122 118.784 1.338 1
1 682 . 5 1 1 A 55 55 LEU H H 55 7.789 7.814 -0.025 1
1 683 . 5 1 1 A 55 55 LEU HA H 55 3.979 4.028 -0.049 1
1 693 . 5 1 1 A 55 55 LEU C C 55 178.027 178.423 -0.396 1
1 694 . 5 1 1 A 55 55 LEU CA C 55 56.713 58.072 -1.359 1
1 695 . 5 1 1 A 55 55 LEU CB C 55 40.799 41.467 -0.668 1
1 699 . 5 1 1 A 55 55 LEU N N 55 122.944 120.604 2.340 1
1 700 . 5 1 1 A 56 56 MET H H 56 8.601 8.737 -0.136 1
1 701 . 5 1 1 A 56 56 MET HA H 56 3.827 4.000 -0.173 1
1 709 . 5 1 1 A 56 56 MET C C 56 177.027 178.201 -1.174 1
1 710 . 5 1 1 A 56 56 MET CA C 56 57.116 58.364 -1.248 1
1 711 . 5 1 1 A 56 56 MET CB C 56 29.825 31.611 -1.786 1
1 714 . 5 1 1 A 56 56 MET N N 56 117.863 119.526 -1.663 1
1 715 . 5 1 1 A 57 57 LYS H H 57 7.693 8.103 -0.410 1
1 716 . 5 1 1 A 57 57 LYS HA H 57 3.954 4.032 -0.078 1
1 725 . 5 1 1 A 57 57 LYS C C 57 178.127 178.354 -0.227 1
1 726 . 5 1 1 A 57 57 LYS CA C 57 58.352 58.861 -0.509 1
1 727 . 5 1 1 A 57 57 LYS CB C 57 31.315 32.029 -0.714 1
1 731 . 5 1 1 A 57 57 LYS N N 57 116.455 120.125 -3.670 1
1 732 . 5 1 1 A 58 58 SER H H 58 7.661 8.133 -0.472 1
1 733 . 5 1 1 A 58 58 SER HA H 58 4.115 4.303 -0.188 1
1 736 . 5 1 1 A 58 58 SER C C 58 174.827 176.743 -1.916 1
1 737 . 5 1 1 A 58 58 SER CA C 58 59.986 62.248 -2.262 1
1 738 . 5 1 1 A 58 58 SER CB C 58 62.464 63.117 -0.653 1
1 739 . 5 1 1 A 58 58 SER N N 58 113.020 117.497 -4.477 1
1 740 . 5 1 1 A 59 59 LEU H H 59 7.917 8.166 -0.249 1
1 741 . 5 1 1 A 59 59 LEU HA H 59 4.269 3.994 0.275 1
1 751 . 5 1 1 A 59 59 LEU C C 59 177.627 177.987 -0.360 1
1 752 . 5 1 1 A 59 59 LEU CA C 59 54.402 58.023 -3.621 1
1 753 . 5 1 1 A 59 59 LEU CB C 59 43.731 41.438 2.293 1
1 757 . 5 1 1 A 59 59 LEU N N 59 117.463 120.555 -3.092 1
1 758 . 5 1 1 A 60 60 ASP H H 60 8.025 8.521 -0.496 1
1 759 . 5 1 1 A 60 60 ASP HA H 60 4.566 4.725 -0.159 1
1 762 . 5 1 1 A 60 60 ASP C C 60 176.627 176.975 -0.348 1
1 763 . 5 1 1 A 60 60 ASP CA C 60 52.335 52.606 -0.271 1
1 764 . 5 1 1 A 60 60 ASP CB C 60 38.139 39.061 -0.922 1
1 765 . 5 1 1 A 60 60 ASP N N 60 117.588 117.202 0.386 1
1 766 . 5 1 1 A 61 61 LYS H H 61 8.100 7.926 0.174 1
1 767 . 5 1 1 A 61 61 LYS HA H 61 4.035 4.043 -0.008 1
1 776 . 5 1 1 A 61 61 LYS C C 61 176.727 178.307 -1.580 1
1 777 . 5 1 1 A 61 61 LYS CA C 61 56.887 59.415 -2.528 1
1 778 . 5 1 1 A 61 61 LYS CB C 61 31.653 32.268 -0.615 1
1 782 . 5 1 1 A 61 61 LYS N N 61 126.943 124.939 2.004 1
1 783 . 5 1 1 A 62 62 ASN H H 62 7.864 8.024 -0.160 1
1 784 . 5 1 1 A 62 62 ASN HA H 62 4.759 4.686 0.073 1
1 789 . 5 1 1 A 62 62 ASN C C 62 173.727 175.782 -2.055 1
1 790 . 5 1 1 A 62 62 ASN CA C 62 50.660 52.128 -1.468 1
1 791 . 5 1 1 A 62 62 ASN CB C 62 35.920 37.919 -1.999 1
1 792 . 5 1 1 A 62 62 ASN N N 62 113.588 114.038 -0.450 1
1 794 . 5 1 1 A 63 63 SER H H 63 7.613 8.321 -0.708 1
1 795 . 5 1 1 A 63 63 SER HA H 63 3.962 4.317 -0.355 1
1 798 . 5 1 1 A 63 63 SER C C 63 172.927 174.841 -1.914 1
1 799 . 5 1 1 A 63 63 SER CA C 63 58.262 59.165 -0.903 1
1 800 . 5 1 1 A 63 63 SER CB C 63 60.708 62.307 -1.599 1
1 801 . 5 1 1 A 63 63 SER N N 63 111.592 114.697 -3.105 1
1 802 . 5 1 1 A 64 64 ASP H H 64 8.217 7.821 0.396 1
1 803 . 5 1 1 A 64 64 ASP HA H 64 4.653 4.503 0.150 1
1 806 . 5 1 1 A 64 64 ASP C C 64 175.927 176.614 -0.687 1
1 807 . 5 1 1 A 64 64 ASP CA C 64 51.641 54.177 -2.536 1
1 808 . 5 1 1 A 64 64 ASP CB C 64 39.385 41.098 -1.713 1
1 809 . 5 1 1 A 64 64 ASP N N 64 118.913 120.800 -1.887 1
1 810 . 5 1 1 A 65 65 GLN H H 65 10.239 8.262 1.977 1
1 811 . 5 1 1 A 65 65 GLN HA H 65 3.356 3.842 -0.486 1
1 818 . 5 1 1 A 65 65 GLN C C 65 172.627 174.504 -1.877 1
1 819 . 5 1 1 A 65 65 GLN CA C 65 56.325 57.389 -1.064 1
1 820 . 5 1 1 A 65 65 GLN CB C 65 24.910 27.705 -2.795 1
1 822 . 5 1 1 A 65 65 GLN N N 65 114.908 116.673 -1.765 1
1 824 . 5 1 1 A 66 66 GLU H H 66 7.710 8.018 -0.308 1
1 825 . 5 1 1 A 66 66 GLU HA H 66 4.691 4.878 -0.187 1
1 830 . 5 1 1 A 66 66 GLU C C 66 174.127 175.182 -1.055 1
1 831 . 5 1 1 A 66 66 GLU CA C 66 52.987 54.804 -1.817 1
1 832 . 5 1 1 A 66 66 GLU CB C 66 32.433 32.333 0.100 1
1 834 . 5 1 1 A 66 66 GLU N N 66 115.721 117.622 -1.901 1
1 835 . 5 1 1 A 67 67 ILE H H 67 9.938 9.007 0.931 1
1 836 . 5 1 1 A 67 67 ILE HA H 67 5.291 4.635 0.656 1
1 846 . 5 1 1 A 67 67 ILE C C 67 175.627 175.550 0.077 1
1 847 . 5 1 1 A 67 67 ILE CA C 67 56.241 60.471 -4.230 1
1 848 . 5 1 1 A 67 67 ILE CB C 67 35.492 38.085 -2.593 1
1 852 . 5 1 1 A 67 67 ILE N N 67 125.901 125.361 0.540 1
1 853 . 5 1 1 A 68 68 ASP H H 68 8.794 8.806 -0.012 1
1 854 . 5 1 1 A 68 68 ASP HA H 68 5.002 4.741 0.261 1
1 857 . 5 1 1 A 68 68 ASP C C 68 174.427 177.439 -3.012 1
1 858 . 5 1 1 A 68 68 ASP CA C 68 51.563 54.513 -2.950 1
1 859 . 5 1 1 A 68 68 ASP CB C 68 40.493 42.814 -2.321 1
1 860 . 5 1 1 A 68 68 ASP N N 68 127.844 128.375 -0.531 1
1 861 . 5 1 1 A 69 69 PHE H H 69 9.068 9.295 -0.227 1
1 862 . 5 1 1 A 69 69 PHE HA H 69 3.130 4.045 -0.915 1
1 869 . 5 1 1 A 69 69 PHE C C 69 176.827 177.286 -0.459 1
1 870 . 5 1 1 A 69 69 PHE CA C 69 62.478 61.972 0.506 1
1 871 . 5 1 1 A 69 69 PHE CB C 69 38.096 39.750 -1.654 1
1 872 . 5 1 1 A 69 69 PHE N N 69 118.955 127.451 -8.496 1
1 873 . 5 1 1 A 70 70 LYS H H 70 8.123 8.149 -0.026 1
1 874 . 5 1 1 A 70 70 LYS HA H 70 3.871 4.086 -0.215 1
1 883 . 5 1 1 A 70 70 LYS C C 70 179.527 179.312 0.215 1
1 884 . 5 1 1 A 70 70 LYS CA C 70 59.457 59.265 0.192 1
1 885 . 5 1 1 A 70 70 LYS CB C 70 30.772 32.074 -1.302 1
1 889 . 5 1 1 A 70 70 LYS N N 70 120.287 118.241 2.046 1
1 890 . 5 1 1 A 71 71 GLU H H 71 8.746 8.238 0.508 1
1 891 . 5 1 1 A 71 71 GLU HA H 71 4.099 4.142 -0.043 1
1 896 . 5 1 1 A 71 71 GLU C C 71 179.127 178.728 0.399 1
1 897 . 5 1 1 A 71 71 GLU CA C 71 57.934 58.959 -1.025 1
1 898 . 5 1 1 A 71 71 GLU CB C 71 29.266 29.992 -0.726 1
1 900 . 5 1 1 A 71 71 GLU N N 71 122.207 119.195 3.012 1
1 901 . 5 1 1 A 72 72 TYR H H 72 8.879 8.514 0.365 1
1 902 . 5 1 1 A 72 72 TYR HA H 72 4.010 4.188 -0.178 1
1 909 . 5 1 1 A 72 72 TYR C C 72 175.927 178.351 -2.424 1
1 910 . 5 1 1 A 72 72 TYR CA C 72 58.551 61.602 -3.051 1
1 911 . 5 1 1 A 72 72 TYR CB C 72 38.072 38.458 -0.386 1
1 912 . 5 1 1 A 72 72 TYR N N 72 121.813 122.399 -0.586 1
1 913 . 5 1 1 A 73 73 SER H H 73 8.414 8.166 0.248 1
1 914 . 5 1 1 A 73 73 SER HA H 73 3.462 4.096 -0.634 1
1 917 . 5 1 1 A 73 73 SER C C 73 175.127 176.922 -1.795 1
1 918 . 5 1 1 A 73 73 SER CA C 73 61.876 60.735 1.141 1
1 919 . 5 1 1 A 73 73 SER CB C 73 61.327 63.317 -1.990 1
1 920 . 5 1 1 A 73 73 SER N N 73 117.840 114.577 3.263 1
1 921 . 5 1 1 A 74 74 VAL H H 74 7.363 8.261 -0.898 1
1 922 . 5 1 1 A 74 74 VAL HA H 74 3.584 3.676 -0.092 1
1 930 . 5 1 1 A 74 74 VAL C C 74 178.027 178.328 -0.301 1
1 931 . 5 1 1 A 74 74 VAL CA C 74 65.397 66.282 -0.885 1
1 932 . 5 1 1 A 74 74 VAL CB C 74 30.300 31.473 -1.173 1
1 935 . 5 1 1 A 74 74 VAL N N 74 123.439 122.090 1.349 1
1 936 . 5 1 1 A 75 75 PHE H H 75 7.282 8.141 -0.859 1
1 937 . 5 1 1 A 75 75 PHE HA H 75 4.562 4.090 0.472 1
1 945 . 5 1 1 A 75 75 PHE C C 75 176.127 177.188 -1.061 1
1 946 . 5 1 1 A 75 75 PHE CA C 75 57.851 61.209 -3.358 1
1 947 . 5 1 1 A 75 75 PHE CB C 75 36.863 38.962 -2.099 1
1 948 . 5 1 1 A 75 75 PHE N N 75 122.766 120.933 1.833 1
1 949 . 5 1 1 A 76 76 LEU H H 76 7.823 7.971 -0.148 1
1 950 . 5 1 1 A 76 76 LEU HA H 76 3.445 3.528 -0.083 1
1 960 . 5 1 1 A 76 76 LEU C C 76 178.927 178.945 -0.018 1
1 961 . 5 1 1 A 76 76 LEU CA C 76 56.891 57.939 -1.048 1
1 962 . 5 1 1 A 76 76 LEU CB C 76 39.917 41.394 -1.477 1
1 966 . 5 1 1 A 76 76 LEU N N 76 115.619 119.433 -3.814 1
1 967 . 5 1 1 A 77 77 THR H H 77 7.858 7.918 -0.060 1
1 968 . 5 1 1 A 77 77 THR HA H 77 3.665 3.731 -0.066 1
1 974 . 5 1 1 A 77 77 THR C C 77 175.427 176.872 -1.445 1
1 975 . 5 1 1 A 77 77 THR CA C 77 66.127 66.751 -0.624 1
1 976 . 5 1 1 A 77 77 THR CB C 77 67.585 68.348 -0.763 1
1 978 . 5 1 1 A 77 77 THR N N 77 113.417 115.022 -1.605 1
1 979 . 5 1 1 A 78 78 MET H H 78 7.970 8.022 -0.052 1
1 980 . 5 1 1 A 78 78 MET HA H 78 3.935 4.066 -0.131 1
1 988 . 5 1 1 A 78 78 MET C C 78 179.127 178.641 0.486 1
1 989 . 5 1 1 A 78 78 MET CA C 78 58.780 58.894 -0.114 1
1 990 . 5 1 1 A 78 78 MET CB C 78 31.501 32.676 -1.175 1
1 993 . 5 1 1 A 78 78 MET N N 78 122.745 118.322 4.423 1
1 994 . 5 1 1 A 79 79 LEU H H 79 7.898 8.188 -0.290 1
1 995 . 5 1 1 A 79 79 LEU HA H 79 3.870 3.993 -0.123 1
1 1005 . 5 1 1 A 79 79 LEU C C 79 178.427 179.320 -0.893 1
1 1006 . 5 1 1 A 79 79 LEU CA C 79 56.843 57.859 -1.016 1
1 1007 . 5 1 1 A 79 79 LEU CB C 79 41.099 41.290 -0.191 1
1 1011 . 5 1 1 A 79 79 LEU N N 79 120.989 119.467 1.522 1
1 1012 . 5 1 1 A 80 80 CYS H H 80 8.400 8.429 -0.029 1
1 1013 . 5 1 1 A 80 80 CYS HA H 80 3.830 4.197 -0.367 1
1 1017 . 5 1 1 A 80 80 CYS C C 80 175.927 177.477 -1.550 1
1 1018 . 5 1 1 A 80 80 CYS CA C 80 64.044 62.837 1.207 1
1 1019 . 5 1 1 A 80 80 CYS CB C 80 25.626 26.398 -0.772 1
1 1020 . 5 1 1 A 80 80 CYS N N 80 117.746 118.595 -0.849 1
1 1021 . 5 1 1 A 81 81 MET H H 81 8.295 8.440 -0.145 1
1 1022 . 5 1 1 A 81 81 MET HA H 81 4.023 4.167 -0.144 1
1 1030 . 5 1 1 A 81 81 MET C C 81 177.327 178.151 -0.824 1
1 1031 . 5 1 1 A 81 81 MET CA C 81 57.601 59.005 -1.404 1
1 1032 . 5 1 1 A 81 81 MET CB C 81 30.668 32.490 -1.822 1
1 1035 . 5 1 1 A 81 81 MET N N 81 117.598 119.875 -2.277 1
1 1036 . 5 1 1 A 82 82 ALA H H 82 7.624 8.122 -0.498 1
1 1037 . 5 1 1 A 82 82 ALA HA H 82 4.061 4.109 -0.048 1
1 1041 . 5 1 1 A 82 82 ALA C C 82 179.627 179.972 -0.345 1
1 1042 . 5 1 1 A 82 82 ALA CA C 82 53.856 55.081 -1.225 1
1 1043 . 5 1 1 A 82 82 ALA CB C 82 16.794 18.285 -1.491 1
1 1044 . 5 1 1 A 82 82 ALA N N 82 121.886 121.535 0.351 1
1 1045 . 5 1 1 A 83 83 TYR H H 83 8.476 8.214 0.262 1
1 1046 . 5 1 1 A 83 83 TYR HA H 83 4.147 4.361 -0.214 1
1 1053 . 5 1 1 A 83 83 TYR C C 83 178.127 178.284 -0.157 1
1 1054 . 5 1 1 A 83 83 TYR CA C 83 60.066 61.706 -1.640 1
1 1055 . 5 1 1 A 83 83 TYR CB C 83 36.546 37.379 -0.833 1
1 1056 . 5 1 1 A 83 83 TYR N N 83 119.136 116.488 2.648 1
1 1057 . 5 1 1 A 84 84 ASN H H 84 8.386 8.118 0.268 1
1 1058 . 5 1 1 A 84 84 ASN HA H 84 4.221 4.504 -0.283 1
1 1063 . 5 1 1 A 84 84 ASN C C 84 175.427 177.788 -2.361 1
1 1064 . 5 1 1 A 84 84 ASN CA C 84 56.123 56.480 -0.357 1
1 1065 . 5 1 1 A 84 84 ASN CB C 84 37.387 38.111 -0.724 1
1 1066 . 5 1 1 A 84 84 ASN N N 84 120.692 117.991 2.701 1
1 1068 . 5 1 1 A 85 85 ASP H H 85 7.611 7.722 -0.111 1
1 1069 . 5 1 1 A 85 85 ASP HA H 85 4.234 4.454 -0.220 1
1 1072 . 5 1 1 A 85 85 ASP C C 85 178.227 178.477 -0.250 1
1 1073 . 5 1 1 A 85 85 ASP CA C 85 56.752 57.257 -0.505 1
1 1074 . 5 1 1 A 85 85 ASP CB C 85 38.688 40.981 -2.293 1
1 1075 . 5 1 1 A 85 85 ASP N N 85 118.378 120.087 -1.709 1
1 1076 . 5 1 1 A 86 86 PHE H H 86 7.538 8.367 -0.829 1
1 1077 . 5 1 1 A 86 86 PHE HA H 86 4.291 4.164 0.127 1
1 1084 . 5 1 1 A 86 86 PHE C C 86 176.627 177.680 -1.053 1
1 1085 . 5 1 1 A 86 86 PHE CA C 86 58.743 61.473 -2.730 1
1 1086 . 5 1 1 A 86 86 PHE CB C 86 37.488 38.847 -1.359 1
1 1087 . 5 1 1 A 86 86 PHE N N 86 118.712 120.427 -1.715 1
1 1088 . 5 1 1 A 87 87 PHE H H 87 8.132 8.357 -0.225 1
1 1089 . 5 1 1 A 87 87 PHE HA H 87 3.906 4.226 -0.320 1
1 1096 . 5 1 1 A 87 87 PHE C C 87 176.627 177.026 -0.399 1
1 1097 . 5 1 1 A 87 87 PHE CA C 87 59.554 61.592 -2.038 1
1 1098 . 5 1 1 A 87 87 PHE CB C 87 38.017 39.599 -1.582 1
1 1099 . 5 1 1 A 87 87 PHE N N 87 121.649 120.384 1.265 1
1 1100 . 5 1 1 A 88 88 LEU H H 88 7.953 8.126 -0.173 1
1 1101 . 5 1 1 A 88 88 LEU HA H 88 3.775 3.981 -0.206 1
1 1111 . 5 1 1 A 88 88 LEU C C 88 177.627 178.829 -1.202 1
1 1112 . 5 1 1 A 88 88 LEU CA C 88 55.078 57.193 -2.115 1
1 1113 . 5 1 1 A 88 88 LEU CB C 88 41.226 41.648 -0.422 1
1 1117 . 5 1 1 A 88 88 LEU N N 88 118.897 118.964 -0.067 1
1 1118 . 5 1 1 A 89 89 GLU H H 89 7.475 8.075 -0.600 1
1 1119 . 5 1 1 A 89 89 GLU HA H 89 3.914 4.091 -0.177 1
1 1124 . 5 1 1 A 89 89 GLU C C 89 176.127 178.163 -2.036 1
1 1125 . 5 1 1 A 89 89 GLU CA C 89 56.926 58.676 -1.750 1
1 1126 . 5 1 1 A 89 89 GLU CB C 89 28.567 29.607 -1.040 1
1 1128 . 5 1 1 A 89 89 GLU N N 89 119.332 119.832 -0.500 1
1 1129 . 5 1 1 A 90 90 ASP H H 90 7.750 7.917 -0.167 1
1 1130 . 5 1 1 A 90 90 ASP HA H 90 4.370 4.392 -0.022 1
1 1133 . 5 1 1 A 90 90 ASP C C 90 175.227 177.435 -2.208 1
1 1134 . 5 1 1 A 90 90 ASP CA C 90 53.593 56.543 -2.950 1
1 1135 . 5 1 1 A 90 90 ASP CB C 90 40.323 41.026 -0.703 1
1 1136 . 5 1 1 A 90 90 ASP N N 90 118.945 120.848 -1.903 1
1 1137 . 5 1 1 A 91 91 ASN H H 91 7.681 7.176 0.505 1
1 1138 . 5 1 1 A 91 91 ASN HA H 91 4.495 4.756 -0.261 1
1 1143 . 5 1 1 A 91 91 ASN C C 91 173.027 174.891 -1.864 1
1 1144 . 5 1 1 A 91 91 ASN CA C 91 52.041 53.020 -0.979 1
1 1145 . 5 1 1 A 91 91 ASN CB C 91 38.072 38.639 -0.567 1
1 1146 . 5 1 1 A 91 91 ASN N N 91 118.171 114.804 3.367 1
1 10 . 6 1 1 A 2 2 GLU H H 2 8.776 8.800 -0.024 1
1 11 . 6 1 1 A 2 2 GLU HA H 2 4.535 4.869 -0.334 1
1 16 . 6 1 1 A 2 2 GLU C C 2 175.627 176.362 -0.735 1
1 17 . 6 1 1 A 2 2 GLU CA C 2 55.573 54.303 1.270 1
1 18 . 6 1 1 A 2 2 GLU CB C 2 30.569 33.818 -3.249 1
1 20 . 6 1 1 A 2 2 GLU N N 2 124.305 122.257 2.048 1
1 21 . 6 1 1 A 3 3 THR H H 3 8.835 8.626 0.209 1
1 22 . 6 1 1 A 3 3 THR HA H 3 4.608 4.564 0.044 1
1 27 . 6 1 1 A 3 3 THR CA C 3 59.187 60.624 -1.437 1
1 28 . 6 1 1 A 3 3 THR CB C 3 67.385 68.827 -1.442 1
1 30 . 6 1 1 A 3 3 THR N N 3 116.176 115.747 0.429 1
1 31 . 6 1 1 A 4 4 PRO HA H 4 4.158 4.518 -0.360 1
1 38 . 6 1 1 A 4 4 PRO C C 4 179.327 178.010 1.317 1
1 39 . 6 1 1 A 4 4 PRO CA C 4 65.040 64.327 0.713 1
1 40 . 6 1 1 A 4 4 PRO CB C 4 30.616 31.718 -1.102 1
1 43 . 6 1 1 A 5 5 LEU H H 5 8.794 7.322 1.472 1
1 44 . 6 1 1 A 5 5 LEU HA H 5 3.944 4.038 -0.094 1
1 54 . 6 1 1 A 5 5 LEU C C 5 177.327 177.992 -0.665 1
1 55 . 6 1 1 A 5 5 LEU CA C 5 56.920 57.191 -0.271 1
1 56 . 6 1 1 A 5 5 LEU CB C 5 41.139 42.336 -1.197 1
1 60 . 6 1 1 A 5 5 LEU N N 5 118.892 118.244 0.648 1
1 61 . 6 1 1 A 6 6 GLU H H 6 7.664 8.138 -0.474 1
1 62 . 6 1 1 A 6 6 GLU HA H 6 3.744 3.874 -0.130 1
1 67 . 6 1 1 A 6 6 GLU C C 6 178.827 179.143 -0.316 1
1 68 . 6 1 1 A 6 6 GLU CA C 6 59.347 60.108 -0.761 1
1 69 . 6 1 1 A 6 6 GLU CB C 6 28.700 29.468 -0.768 1
1 71 . 6 1 1 A 6 6 GLU N N 6 118.741 119.336 -0.595 1
1 72 . 6 1 1 A 7 7 LYS H H 7 8.435 7.796 0.639 1
1 73 . 6 1 1 A 7 7 LYS HA H 7 3.909 4.095 -0.186 1
1 82 . 6 1 1 A 7 7 LYS C C 7 178.527 178.903 -0.376 1
1 83 . 6 1 1 A 7 7 LYS CA C 7 58.539 58.963 -0.424 1
1 84 . 6 1 1 A 7 7 LYS CB C 7 31.217 32.112 -0.895 1
1 88 . 6 1 1 A 7 7 LYS N N 7 119.285 118.363 0.922 1
1 89 . 6 1 1 A 8 8 ALA H H 8 8.008 7.878 0.130 1
1 90 . 6 1 1 A 8 8 ALA HA H 8 4.038 4.000 0.038 1
1 94 . 6 1 1 A 8 8 ALA C C 8 178.327 180.067 -1.740 1
1 95 . 6 1 1 A 8 8 ALA CA C 8 54.356 54.992 -0.636 1
1 96 . 6 1 1 A 8 8 ALA CB C 8 17.509 18.238 -0.729 1
1 97 . 6 1 1 A 8 8 ALA N N 8 123.866 122.633 1.233 1
1 98 . 6 1 1 A 9 9 LEU H H 9 8.163 8.240 -0.077 1
1 99 . 6 1 1 A 9 9 LEU HA H 9 3.809 3.952 -0.143 1
1 109 . 6 1 1 A 9 9 LEU C C 9 178.527 179.188 -0.661 1
1 110 . 6 1 1 A 9 9 LEU CA C 9 57.256 58.071 -0.815 1
1 111 . 6 1 1 A 9 9 LEU CB C 9 40.483 42.011 -1.528 1
1 115 . 6 1 1 A 9 9 LEU N N 9 119.134 117.919 1.215 1
1 116 . 6 1 1 A 10 10 THR H H 10 8.186 8.387 -0.201 1
1 117 . 6 1 1 A 10 10 THR HA H 10 3.741 3.934 -0.193 1
1 122 . 6 1 1 A 10 10 THR C C 10 176.727 176.688 0.039 1
1 123 . 6 1 1 A 10 10 THR CA C 10 66.345 66.760 -0.415 1
1 124 . 6 1 1 A 10 10 THR CB C 10 67.558 68.560 -1.002 1
1 126 . 6 1 1 A 10 10 THR N N 10 114.355 115.816 -1.461 1
1 127 . 6 1 1 A 11 11 THR H H 11 8.387 8.314 0.073 1
1 128 . 6 1 1 A 11 11 THR HA H 11 3.963 3.909 0.054 1
1 133 . 6 1 1 A 11 11 THR C C 11 176.827 175.753 1.074 1
1 134 . 6 1 1 A 11 11 THR CA C 11 65.801 66.670 -0.869 1
1 135 . 6 1 1 A 11 11 THR CB C 11 67.140 68.040 -0.900 1
1 137 . 6 1 1 A 11 11 THR N N 11 120.801 117.145 3.656 1
1 138 . 6 1 1 A 12 12 MET H H 12 8.299 8.519 -0.220 1
1 139 . 6 1 1 A 12 12 MET HA H 12 3.872 4.175 -0.303 1
1 147 . 6 1 1 A 12 12 MET C C 12 177.827 178.051 -0.224 1
1 148 . 6 1 1 A 12 12 MET CA C 12 59.263 58.651 0.612 1
1 149 . 6 1 1 A 12 12 MET CB C 12 31.845 32.265 -0.420 1
1 152 . 6 1 1 A 12 12 MET N N 12 124.102 120.130 3.972 1
1 153 . 6 1 1 A 13 13 VAL H H 13 7.820 8.166 -0.346 1
1 154 . 6 1 1 A 13 13 VAL HA H 13 3.937 3.738 0.199 1
1 162 . 6 1 1 A 13 13 VAL C C 13 177.127 177.342 -0.215 1
1 163 . 6 1 1 A 13 13 VAL CA C 13 65.677 65.082 0.595 1
1 164 . 6 1 1 A 13 13 VAL CB C 13 31.656 31.564 0.092 1
1 167 . 6 1 1 A 13 13 VAL N N 13 119.838 118.473 1.365 1
1 168 . 6 1 1 A 14 14 THR H H 14 9.107 8.103 1.004 1
1 169 . 6 1 1 A 14 14 THR HA H 14 3.654 4.045 -0.391 1
1 174 . 6 1 1 A 14 14 THR C C 14 177.527 176.402 1.125 1
1 175 . 6 1 1 A 14 14 THR CA C 14 65.273 66.373 -1.100 1
1 176 . 6 1 1 A 14 14 THR CB C 14 67.652 68.711 -1.059 1
1 178 . 6 1 1 A 14 14 THR N N 14 112.247 116.642 -4.395 1
1 179 . 6 1 1 A 15 15 THR H H 15 8.189 8.233 -0.044 1
1 180 . 6 1 1 A 15 15 THR HA H 15 3.864 4.221 -0.357 1
1 186 . 6 1 1 A 15 15 THR C C 15 173.627 176.754 -3.127 1
1 187 . 6 1 1 A 15 15 THR CA C 15 66.930 65.977 0.953 1
1 188 . 6 1 1 A 15 15 THR CB C 15 66.539 68.428 -1.889 1
1 190 . 6 1 1 A 15 15 THR N N 15 117.691 112.125 5.566 1
1 191 . 6 1 1 A 16 16 PHE H H 16 6.850 8.234 -1.384 1
1 192 . 6 1 1 A 16 16 PHE HA H 16 3.417 4.005 -0.588 1
1 199 . 6 1 1 A 16 16 PHE C C 16 175.627 177.206 -1.579 1
1 200 . 6 1 1 A 16 16 PHE CA C 16 61.577 61.539 0.038 1
1 201 . 6 1 1 A 16 16 PHE CB C 16 38.177 38.502 -0.325 1
1 202 . 6 1 1 A 16 16 PHE N N 16 120.169 123.416 -3.247 1
1 203 . 6 1 1 A 17 17 HIS H H 17 6.924 8.069 -1.145 1
1 204 . 6 1 1 A 17 17 HIS HA H 17 4.755 4.088 0.667 1
1 207 . 6 1 1 A 17 17 HIS C C 17 176.227 177.799 -1.572 1
1 208 . 6 1 1 A 17 17 HIS CA C 17 56.810 59.820 -3.010 1
1 209 . 6 1 1 A 17 17 HIS CB C 17 29.597 29.706 -0.109 1
1 210 . 6 1 1 A 17 17 HIS N N 17 115.499 117.409 -1.910 1
1 211 . 6 1 1 A 18 18 LYS H H 18 7.888 8.016 -0.128 1
1 212 . 6 1 1 A 18 18 LYS HA H 18 3.870 3.952 -0.082 1
1 221 . 6 1 1 A 18 18 LYS C C 18 176.927 178.027 -1.100 1
1 222 . 6 1 1 A 18 18 LYS CA C 18 57.897 59.033 -1.136 1
1 223 . 6 1 1 A 18 18 LYS CB C 18 31.582 32.372 -0.790 1
1 227 . 6 1 1 A 18 18 LYS N N 18 121.217 119.145 2.072 1
1 228 . 6 1 1 A 19 19 TYR H H 19 6.928 7.956 -1.028 1
1 229 . 6 1 1 A 19 19 TYR HA H 19 4.163 4.294 -0.131 1
1 234 . 6 1 1 A 19 19 TYR C C 19 175.027 178.304 -3.277 1
1 235 . 6 1 1 A 19 19 TYR CA C 19 59.335 60.750 -1.415 1
1 236 . 6 1 1 A 19 19 TYR CB C 19 39.515 38.413 1.102 1
1 237 . 6 1 1 A 19 19 TYR N N 19 114.488 118.683 -4.195 1
1 238 . 6 1 1 A 20 20 SER H H 20 8.021 8.076 -0.055 1
1 239 . 6 1 1 A 20 20 SER HA H 20 3.105 4.107 -1.002 1
1 242 . 6 1 1 A 20 20 SER C C 20 176.527 174.078 2.449 1
1 243 . 6 1 1 A 20 20 SER CA C 20 60.457 59.592 0.865 1
1 244 . 6 1 1 A 20 20 SER CB C 20 60.326 64.166 -3.840 1
1 245 . 6 1 1 A 20 20 SER N N 20 112.624 114.109 -1.485 1
1 246 . 6 1 1 A 21 21 GLY H H 21 7.908 7.327 0.581 1
1 247 . 6 1 1 A 21 21 GLY HA2 H 21 4.197 4.005 0.192 1
1 248 . 6 1 1 A 21 21 GLY HA3 H 21 3.761 4.085 -0.324 1
1 249 . 6 1 1 A 21 21 GLY C C 21 173.027 174.904 -1.877 1
1 250 . 6 1 1 A 21 21 GLY CA C 21 44.357 44.630 -0.273 1
1 251 . 6 1 1 A 21 21 GLY N N 21 112.095 108.675 3.420 1
1 252 . 6 1 1 A 22 22 ARG H H 22 7.470 8.780 -1.310 1
1 253 . 6 1 1 A 22 22 ARG HA H 22 3.956 4.377 -0.421 1
1 260 . 6 1 1 A 22 22 ARG C C 22 176.327 175.583 0.744 1
1 261 . 6 1 1 A 22 22 ARG CA C 22 58.189 55.656 2.533 1
1 262 . 6 1 1 A 22 22 ARG CB C 22 29.483 32.078 -2.595 1
1 265 . 6 1 1 A 22 22 ARG N N 22 122.481 125.575 -3.094 1
1 266 . 6 1 1 A 23 23 GLU H H 23 9.412 8.445 0.967 1
1 267 . 6 1 1 A 23 23 GLU HA H 23 4.626 4.548 0.078 1
1 272 . 6 1 1 A 23 23 GLU C C 23 175.027 176.657 -1.630 1
1 273 . 6 1 1 A 23 23 GLU CA C 23 53.319 55.144 -1.825 1
1 274 . 6 1 1 A 23 23 GLU CB C 23 32.032 33.046 -1.014 1
1 276 . 6 1 1 A 23 23 GLU N N 23 116.123 117.579 -1.456 1
1 277 . 6 1 1 A 24 24 GLY H H 24 9.080 8.643 0.437 1
1 278 . 6 1 1 A 24 24 GLY HA2 H 24 3.694 3.884 -0.190 1
1 279 . 6 1 1 A 24 24 GLY HA3 H 24 3.878 3.915 -0.037 1
1 280 . 6 1 1 A 24 24 GLY C C 24 172.827 173.861 -1.034 1
1 281 . 6 1 1 A 24 24 GLY CA C 24 44.707 47.190 -2.483 1
1 282 . 6 1 1 A 24 24 GLY N N 24 114.015 111.073 2.942 1
1 283 . 6 1 1 A 25 25 SER H H 25 8.465 8.879 -0.414 1
1 284 . 6 1 1 A 25 25 SER HA H 25 4.312 4.940 -0.628 1
1 287 . 6 1 1 A 25 25 SER C C 25 178.027 174.528 3.499 1
1 288 . 6 1 1 A 25 25 SER CA C 25 57.478 56.694 0.784 1
1 289 . 6 1 1 A 25 25 SER CB C 25 61.941 65.225 -3.284 1
1 290 . 6 1 1 A 25 25 SER N N 25 117.299 120.250 -2.951 1
1 291 . 6 1 1 A 26 26 LYS H H 26 9.532 8.847 0.685 1
1 292 . 6 1 1 A 26 26 LYS HA H 26 4.660 4.512 0.148 1
1 301 . 6 1 1 A 26 26 LYS C C 26 176.127 176.910 -0.783 1
1 302 . 6 1 1 A 26 26 LYS CA C 26 56.928 55.658 1.270 1
1 303 . 6 1 1 A 26 26 LYS CB C 26 30.526 32.127 -1.601 1
1 307 . 6 1 1 A 26 26 LYS N N 26 131.209 123.854 7.355 1
1 308 . 6 1 1 A 27 27 LEU H H 27 8.643 7.572 1.071 1
1 309 . 6 1 1 A 27 27 LEU HA H 27 4.583 4.430 0.153 1
1 319 . 6 1 1 A 27 27 LEU C C 27 174.827 176.489 -1.662 1
1 320 . 6 1 1 A 27 27 LEU CA C 27 53.205 55.589 -2.384 1
1 321 . 6 1 1 A 27 27 LEU CB C 27 41.824 43.045 -1.221 1
1 325 . 6 1 1 A 27 27 LEU N N 27 118.729 120.697 -1.968 1
1 326 . 6 1 1 A 28 28 THR H H 28 7.037 7.523 -0.486 1
1 327 . 6 1 1 A 28 28 THR HA H 28 5.168 5.396 -0.228 1
1 332 . 6 1 1 A 28 28 THR C C 28 172.727 172.206 0.521 1
1 333 . 6 1 1 A 28 28 THR CA C 28 57.915 60.475 -2.560 1
1 334 . 6 1 1 A 28 28 THR CB C 28 71.934 71.712 0.222 1
1 336 . 6 1 1 A 28 28 THR N N 28 104.663 110.411 -5.748 1
1 337 . 6 1 1 A 29 29 LEU H H 29 9.517 9.233 0.284 1
1 338 . 6 1 1 A 29 29 LEU HA H 29 5.196 5.048 0.148 1
1 348 . 6 1 1 A 29 29 LEU C C 29 175.527 176.831 -1.304 1
1 349 . 6 1 1 A 29 29 LEU CA C 29 51.653 53.679 -2.026 1
1 350 . 6 1 1 A 29 29 LEU CB C 29 42.301 42.506 -0.205 1
1 354 . 6 1 1 A 29 29 LEU N N 29 125.388 126.423 -1.035 1
1 355 . 6 1 1 A 30 30 SER H H 30 10.053 9.137 0.916 1
1 356 . 6 1 1 A 30 30 SER HA H 30 4.475 4.858 -0.383 1
1 359 . 6 1 1 A 30 30 SER C C 30 173.427 175.187 -1.760 1
1 360 . 6 1 1 A 30 30 SER CA C 30 55.011 57.485 -2.474 1
1 361 . 6 1 1 A 30 30 SER CB C 30 64.446 65.079 -0.633 1
1 362 . 6 1 1 A 30 30 SER N N 30 121.114 120.855 0.259 1
1 363 . 6 1 1 A 31 31 ARG H H 31 8.992 8.550 0.442 1
1 364 . 6 1 1 A 31 31 ARG HA H 31 3.923 3.924 -0.001 1
1 371 . 6 1 1 A 31 31 ARG C C 31 177.027 178.233 -1.206 1
1 372 . 6 1 1 A 31 31 ARG CA C 31 59.408 59.848 -0.440 1
1 373 . 6 1 1 A 31 31 ARG CB C 31 29.041 30.177 -1.136 1
1 376 . 6 1 1 A 31 31 ARG N N 31 120.513 122.362 -1.849 1
1 377 . 6 1 1 A 32 32 LYS H H 32 7.845 8.064 -0.219 1
1 378 . 6 1 1 A 32 32 LYS HA H 32 3.826 4.055 -0.229 1
1 387 . 6 1 1 A 32 32 LYS C C 32 178.927 178.890 0.037 1
1 388 . 6 1 1 A 32 32 LYS CA C 32 58.677 59.293 -0.616 1
1 389 . 6 1 1 A 32 32 LYS CB C 32 31.964 32.003 -0.039 1
1 393 . 6 1 1 A 32 32 LYS N N 32 117.011 117.938 -0.927 1
1 394 . 6 1 1 A 33 33 GLU H H 33 7.612 7.914 -0.302 1
1 395 . 6 1 1 A 33 33 GLU HA H 33 3.954 4.127 -0.173 1
1 400 . 6 1 1 A 33 33 GLU C C 33 177.227 179.073 -1.846 1
1 401 . 6 1 1 A 33 33 GLU CA C 33 58.289 58.913 -0.624 1
1 402 . 6 1 1 A 33 33 GLU CB C 33 29.757 29.505 0.252 1
1 404 . 6 1 1 A 33 33 GLU N N 33 120.815 119.668 1.147 1
1 405 . 6 1 1 A 34 34 LEU H H 34 8.694 8.303 0.391 1
1 406 . 6 1 1 A 34 34 LEU HA H 34 3.811 4.034 -0.223 1
1 416 . 6 1 1 A 34 34 LEU C C 34 176.927 178.472 -1.545 1
1 417 . 6 1 1 A 34 34 LEU CA C 34 57.025 57.701 -0.676 1
1 418 . 6 1 1 A 34 34 LEU CB C 34 40.638 41.547 -0.909 1
1 422 . 6 1 1 A 34 34 LEU N N 34 119.291 121.628 -2.337 1
1 423 . 6 1 1 A 35 35 LYS H H 35 8.114 8.281 -0.167 1
1 424 . 6 1 1 A 35 35 LYS HA H 35 3.569 3.849 -0.280 1
1 433 . 6 1 1 A 35 35 LYS C C 35 177.027 178.308 -1.281 1
1 434 . 6 1 1 A 35 35 LYS CA C 35 59.419 59.505 -0.086 1
1 435 . 6 1 1 A 35 35 LYS CB C 35 31.271 32.310 -1.039 1
1 439 . 6 1 1 A 35 35 LYS N N 35 117.277 119.035 -1.758 1
1 440 . 6 1 1 A 36 36 GLU H H 36 7.560 7.733 -0.173 1
1 441 . 6 1 1 A 36 36 GLU HA H 36 3.845 4.161 -0.316 1
1 446 . 6 1 1 A 36 36 GLU C C 36 175.827 178.324 -2.497 1
1 447 . 6 1 1 A 36 36 GLU CA C 36 58.190 58.777 -0.587 1
1 448 . 6 1 1 A 36 36 GLU CB C 36 28.253 29.662 -1.409 1
1 450 . 6 1 1 A 36 36 GLU N N 36 119.302 118.722 0.580 1
1 451 . 6 1 1 A 37 37 LEU H H 37 7.682 7.987 -0.305 1
1 452 . 6 1 1 A 37 37 LEU HA H 37 2.280 3.233 -0.953 1
1 462 . 6 1 1 A 37 37 LEU C C 37 178.327 178.074 0.253 1
1 463 . 6 1 1 A 37 37 LEU CA C 37 58.225 58.289 -0.064 1
1 464 . 6 1 1 A 37 37 LEU CB C 37 41.090 41.407 -0.317 1
1 468 . 6 1 1 A 37 37 LEU N N 37 121.690 120.765 0.925 1
1 469 . 6 1 1 A 38 38 ILE H H 38 8.157 7.996 0.161 1
1 470 . 6 1 1 A 38 38 ILE HA H 38 3.292 3.696 -0.404 1
1 480 . 6 1 1 A 38 38 ILE C C 38 177.027 178.358 -1.331 1
1 481 . 6 1 1 A 38 38 ILE CA C 38 65.007 65.332 -0.325 1
1 482 . 6 1 1 A 38 38 ILE CB C 38 37.187 37.728 -0.541 1
1 486 . 6 1 1 A 38 38 ILE N N 38 117.626 119.713 -2.087 1
1 487 . 6 1 1 A 39 39 LYS H H 39 8.068 7.917 0.151 1
1 488 . 6 1 1 A 39 39 LYS HA H 39 3.876 4.219 -0.343 1
1 497 . 6 1 1 A 39 39 LYS C C 39 177.927 177.494 0.433 1
1 498 . 6 1 1 A 39 39 LYS CA C 39 58.204 58.265 -0.061 1
1 499 . 6 1 1 A 39 39 LYS CB C 39 31.731 32.120 -0.389 1
1 503 . 6 1 1 A 39 39 LYS N N 39 117.909 119.237 -1.328 1
1 504 . 6 1 1 A 40 40 LYS H H 40 8.094 7.882 0.212 1
1 505 . 6 1 1 A 40 40 LYS HA H 40 4.248 4.448 -0.200 1
1 514 . 6 1 1 A 40 40 LYS C C 40 178.227 176.584 1.643 1
1 515 . 6 1 1 A 40 40 LYS CA C 40 56.291 56.633 -0.342 1
1 516 . 6 1 1 A 40 40 LYS CB C 40 32.652 34.957 -2.305 1
1 520 . 6 1 1 A 40 40 LYS N N 40 114.323 117.059 -2.736 1
1 521 . 6 1 1 A 41 41 GLU H H 41 8.381 8.486 -0.105 1
1 522 . 6 1 1 A 41 41 GLU HA H 41 4.744 4.180 0.564 1
1 527 . 6 1 1 A 41 41 GLU C C 41 176.227 178.456 -2.229 1
1 528 . 6 1 1 A 41 41 GLU CA C 41 55.054 56.398 -1.344 1
1 529 . 6 1 1 A 41 41 GLU CB C 41 29.598 30.256 -0.658 1
1 531 . 6 1 1 A 41 41 GLU N N 41 113.079 119.450 -6.371 1
1 532 . 6 1 1 A 42 42 LEU H H 42 7.544 8.260 -0.716 1
1 533 . 6 1 1 A 42 42 LEU HA H 42 4.754 4.039 0.715 1
1 542 . 6 1 1 A 42 42 LEU CA C 42 52.564 58.002 -5.438 1
1 543 . 6 1 1 A 42 42 LEU CB C 42 43.848 41.654 2.194 1
1 546 . 6 1 1 A 42 42 LEU N N 42 118.458 122.921 -4.463 1
1 547 . 6 1 1 A 43 43 CYS H H 43 8.342 8.229 0.113 1
1 548 . 6 1 1 A 43 43 CYS HA H 43 4.486 4.149 0.337 1
1 551 . 6 1 1 A 43 43 CYS C C 43 174.327 175.205 -0.878 1
1 552 . 6 1 1 A 43 43 CYS CA C 43 57.655 60.489 -2.834 1
1 553 . 6 1 1 A 43 43 CYS CB C 43 25.653 27.454 -1.801 1
1 554 . 6 1 1 A 44 44 LEU H H 44 8.123 8.048 0.075 1
1 555 . 6 1 1 A 44 44 LEU HA H 44 4.339 4.085 0.254 1
1 565 . 6 1 1 A 44 44 LEU C C 44 176.927 177.084 -0.157 1
1 566 . 6 1 1 A 44 44 LEU CA C 44 53.750 57.605 -3.855 1
1 567 . 6 1 1 A 44 44 LEU CB C 44 40.784 42.453 -1.669 1
1 571 . 6 1 1 A 44 44 LEU N N 44 121.974 120.865 1.109 1
1 572 . 6 1 1 A 45 45 GLY H H 45 8.072 7.629 0.443 1
1 573 . 6 1 1 A 45 45 GLY HA2 H 45 3.889 4.027 -0.138 1
1 574 . 6 1 1 A 45 45 GLY HA3 H 45 3.698 4.054 -0.356 1
1 575 . 6 1 1 A 45 45 GLY C C 45 173.127 175.930 -2.803 1
1 576 . 6 1 1 A 45 45 GLY CA C 45 44.291 45.509 -1.218 1
1 577 . 6 1 1 A 45 45 GLY N N 45 107.819 105.767 2.052 1
1 578 . 6 1 1 A 46 46 GLU H H 46 8.472 8.583 -0.111 1
1 579 . 6 1 1 A 46 46 GLU HA H 46 4.048 4.081 -0.033 1
1 584 . 6 1 1 A 46 46 GLU C C 46 175.727 178.045 -2.318 1
1 585 . 6 1 1 A 46 46 GLU CA C 46 56.461 59.099 -2.638 1
1 586 . 6 1 1 A 46 46 GLU CB C 46 28.208 29.749 -1.541 1
1 588 . 6 1 1 A 46 46 GLU N N 46 120.563 121.178 -0.615 1
1 589 . 6 1 1 A 47 47 MET H H 47 8.189 8.130 0.059 1
1 590 . 6 1 1 A 47 47 MET HA H 47 4.413 4.614 -0.201 1
1 598 . 6 1 1 A 47 47 MET C C 47 175.027 174.673 0.354 1
1 599 . 6 1 1 A 47 47 MET CA C 47 53.905 54.442 -0.537 1
1 600 . 6 1 1 A 47 47 MET CB C 47 32.611 30.497 2.114 1
1 603 . 6 1 1 A 47 47 MET N N 47 123.201 117.500 5.701 1
1 604 . 6 1 1 A 48 48 LYS H H 48 8.355 8.208 0.147 1
1 605 . 6 1 1 A 48 48 LYS HA H 48 4.237 4.573 -0.336 1
1 614 . 6 1 1 A 48 48 LYS C C 48 177.027 178.226 -1.199 1
1 615 . 6 1 1 A 48 48 LYS CA C 48 55.443 55.100 0.343 1
1 616 . 6 1 1 A 48 48 LYS CB C 48 32.173 33.462 -1.289 1
1 620 . 6 1 1 A 48 48 LYS N N 48 123.046 120.999 2.047 1
1 621 . 6 1 1 A 49 49 GLU H H 49 8.742 8.897 -0.155 1
1 622 . 6 1 1 A 49 49 GLU HA H 49 3.884 3.892 -0.008 1
1 627 . 6 1 1 A 49 49 GLU C C 49 177.727 178.009 -0.282 1
1 628 . 6 1 1 A 49 49 GLU CA C 49 58.534 60.187 -1.653 1
1 629 . 6 1 1 A 49 49 GLU CB C 49 27.870 29.445 -1.575 1
1 631 . 6 1 1 A 49 49 GLU N N 49 122.407 122.214 0.193 1
1 632 . 6 1 1 A 50 50 SER H H 50 8.324 8.105 0.219 1
1 633 . 6 1 1 A 50 50 SER HA H 50 4.188 4.200 -0.012 1
1 636 . 6 1 1 A 50 50 SER C C 50 175.427 175.681 -0.254 1
1 637 . 6 1 1 A 50 50 SER CA C 50 59.402 61.580 -2.178 1
1 638 . 6 1 1 A 50 50 SER CB C 50 61.442 63.221 -1.779 1
1 639 . 6 1 1 A 50 50 SER N N 50 112.475 117.789 -5.314 1
1 640 . 6 1 1 A 51 51 SER H H 51 7.400 7.913 -0.513 1
1 641 . 6 1 1 A 51 51 SER HA H 51 3.926 4.225 -0.299 1
1 644 . 6 1 1 A 51 51 SER C C 51 176.027 176.991 -0.964 1
1 645 . 6 1 1 A 51 51 SER CA C 51 59.762 61.260 -1.498 1
1 646 . 6 1 1 A 51 51 SER CB C 51 60.955 63.068 -2.113 1
1 647 . 6 1 1 A 51 51 SER N N 51 118.432 116.190 2.242 1
1 648 . 6 1 1 A 52 52 ILE H H 52 7.790 8.125 -0.335 1
1 649 . 6 1 1 A 52 52 ILE HA H 52 3.642 3.687 -0.045 1
1 659 . 6 1 1 A 52 52 ILE C C 52 176.427 177.859 -1.432 1
1 660 . 6 1 1 A 52 52 ILE CA C 52 61.984 64.156 -2.172 1
1 661 . 6 1 1 A 52 52 ILE CB C 52 34.990 37.056 -2.066 1
1 665 . 6 1 1 A 52 52 ILE N N 52 123.838 121.633 2.205 1
1 666 . 6 1 1 A 53 53 ASP H H 53 8.092 8.124 -0.032 1
1 667 . 6 1 1 A 53 53 ASP HA H 53 4.225 4.239 -0.014 1
1 670 . 6 1 1 A 53 53 ASP C C 53 178.227 178.444 -0.217 1
1 671 . 6 1 1 A 53 53 ASP CA C 53 56.606 57.766 -1.160 1
1 672 . 6 1 1 A 53 53 ASP CB C 53 39.034 41.148 -2.114 1
1 673 . 6 1 1 A 53 53 ASP N N 53 121.313 122.521 -1.208 1
1 674 . 6 1 1 A 54 54 ASP H H 54 7.811 8.018 -0.207 1
1 675 . 6 1 1 A 54 54 ASP HA H 54 4.253 4.379 -0.126 1
1 678 . 6 1 1 A 54 54 ASP C C 54 177.927 178.225 -0.298 1
1 679 . 6 1 1 A 54 54 ASP CA C 54 56.467 57.200 -0.733 1
1 680 . 6 1 1 A 54 54 ASP CB C 54 39.401 40.962 -1.561 1
1 681 . 6 1 1 A 54 54 ASP N N 54 120.122 119.748 0.374 1
1 682 . 6 1 1 A 55 55 LEU H H 55 7.789 8.242 -0.453 1
1 683 . 6 1 1 A 55 55 LEU HA H 55 3.979 3.997 -0.018 1
1 693 . 6 1 1 A 55 55 LEU C C 55 178.027 178.287 -0.260 1
1 694 . 6 1 1 A 55 55 LEU CA C 55 56.713 58.059 -1.346 1
1 695 . 6 1 1 A 55 55 LEU CB C 55 40.799 41.626 -0.827 1
1 699 . 6 1 1 A 55 55 LEU N N 55 122.944 120.444 2.500 1
1 700 . 6 1 1 A 56 56 MET H H 56 8.601 8.526 0.075 1
1 701 . 6 1 1 A 56 56 MET HA H 56 3.827 3.964 -0.137 1
1 709 . 6 1 1 A 56 56 MET C C 56 177.027 178.124 -1.097 1
1 710 . 6 1 1 A 56 56 MET CA C 56 57.116 58.478 -1.362 1
1 711 . 6 1 1 A 56 56 MET CB C 56 29.825 31.908 -2.083 1
1 714 . 6 1 1 A 56 56 MET N N 56 117.863 119.337 -1.474 1
1 715 . 6 1 1 A 57 57 LYS H H 57 7.693 8.190 -0.497 1
1 716 . 6 1 1 A 57 57 LYS HA H 57 3.954 4.041 -0.087 1
1 725 . 6 1 1 A 57 57 LYS C C 57 178.127 178.352 -0.225 1
1 726 . 6 1 1 A 57 57 LYS CA C 57 58.352 58.928 -0.576 1
1 727 . 6 1 1 A 57 57 LYS CB C 57 31.315 32.048 -0.733 1
1 731 . 6 1 1 A 57 57 LYS N N 57 116.455 120.121 -3.666 1
1 732 . 6 1 1 A 58 58 SER H H 58 7.661 7.886 -0.225 1
1 733 . 6 1 1 A 58 58 SER HA H 58 4.115 4.274 -0.159 1
1 736 . 6 1 1 A 58 58 SER C C 58 174.827 176.951 -2.124 1
1 737 . 6 1 1 A 58 58 SER CA C 58 59.986 61.075 -1.089 1
1 738 . 6 1 1 A 58 58 SER CB C 58 62.464 62.977 -0.513 1
1 739 . 6 1 1 A 58 58 SER N N 58 113.020 114.843 -1.823 1
1 740 . 6 1 1 A 59 59 LEU H H 59 7.917 7.730 0.187 1
1 741 . 6 1 1 A 59 59 LEU HA H 59 4.269 4.153 0.116 1
1 751 . 6 1 1 A 59 59 LEU C C 59 177.627 178.213 -0.586 1
1 752 . 6 1 1 A 59 59 LEU CA C 59 54.402 57.266 -2.864 1
1 753 . 6 1 1 A 59 59 LEU CB C 59 43.731 42.285 1.446 1
1 757 . 6 1 1 A 59 59 LEU N N 59 117.463 120.279 -2.816 1
1 758 . 6 1 1 A 60 60 ASP H H 60 8.025 8.337 -0.312 1
1 759 . 6 1 1 A 60 60 ASP HA H 60 4.566 4.727 -0.161 1
1 762 . 6 1 1 A 60 60 ASP C C 60 176.627 176.775 -0.148 1
1 763 . 6 1 1 A 60 60 ASP CA C 60 52.335 53.112 -0.777 1
1 764 . 6 1 1 A 60 60 ASP CB C 60 38.139 39.305 -1.166 1
1 765 . 6 1 1 A 60 60 ASP N N 60 117.588 117.958 -0.370 1
1 766 . 6 1 1 A 61 61 LYS H H 61 8.100 7.973 0.127 1
1 767 . 6 1 1 A 61 61 LYS HA H 61 4.035 4.125 -0.090 1
1 776 . 6 1 1 A 61 61 LYS C C 61 176.727 178.507 -1.780 1
1 777 . 6 1 1 A 61 61 LYS CA C 61 56.887 58.924 -2.037 1
1 778 . 6 1 1 A 61 61 LYS CB C 61 31.653 32.323 -0.670 1
1 782 . 6 1 1 A 61 61 LYS N N 61 126.943 125.880 1.063 1
1 783 . 6 1 1 A 62 62 ASN H H 62 7.864 8.552 -0.688 1
1 784 . 6 1 1 A 62 62 ASN HA H 62 4.759 4.742 0.017 1
1 789 . 6 1 1 A 62 62 ASN C C 62 173.727 174.896 -1.169 1
1 790 . 6 1 1 A 62 62 ASN CA C 62 50.660 54.161 -3.501 1
1 791 . 6 1 1 A 62 62 ASN CB C 62 35.920 38.892 -2.972 1
1 792 . 6 1 1 A 62 62 ASN N N 62 113.588 114.934 -1.346 1
1 794 . 6 1 1 A 63 63 SER H H 63 7.613 7.889 -0.276 1
1 795 . 6 1 1 A 63 63 SER HA H 63 3.962 4.376 -0.414 1
1 798 . 6 1 1 A 63 63 SER C C 63 172.927 173.030 -0.103 1
1 799 . 6 1 1 A 63 63 SER CA C 63 58.262 59.074 -0.812 1
1 800 . 6 1 1 A 63 63 SER CB C 63 60.708 61.243 -0.535 1
1 801 . 6 1 1 A 63 63 SER N N 63 111.592 111.364 0.228 1
1 802 . 6 1 1 A 64 64 ASP H H 64 8.217 8.027 0.190 1
1 803 . 6 1 1 A 64 64 ASP HA H 64 4.653 4.920 -0.267 1
1 806 . 6 1 1 A 64 64 ASP C C 64 175.927 175.557 0.370 1
1 807 . 6 1 1 A 64 64 ASP CA C 64 51.641 53.609 -1.968 1
1 808 . 6 1 1 A 64 64 ASP CB C 64 39.385 40.993 -1.608 1
1 809 . 6 1 1 A 64 64 ASP N N 64 118.913 116.842 2.071 1
1 810 . 6 1 1 A 65 65 GLN H H 65 10.239 8.345 1.894 1
1 811 . 6 1 1 A 65 65 GLN HA H 65 3.356 4.562 -1.206 1
1 818 . 6 1 1 A 65 65 GLN C C 65 172.627 175.376 -2.749 1
1 819 . 6 1 1 A 65 65 GLN CA C 65 56.325 55.662 0.663 1
1 820 . 6 1 1 A 65 65 GLN CB C 65 24.910 31.218 -6.308 1
1 822 . 6 1 1 A 65 65 GLN N N 65 114.908 119.712 -4.804 1
1 824 . 6 1 1 A 66 66 GLU H H 66 7.710 8.202 -0.492 1
1 825 . 6 1 1 A 66 66 GLU HA H 66 4.691 5.045 -0.354 1
1 830 . 6 1 1 A 66 66 GLU C C 66 174.127 175.304 -1.177 1
1 831 . 6 1 1 A 66 66 GLU CA C 66 52.987 54.858 -1.871 1
1 832 . 6 1 1 A 66 66 GLU CB C 66 32.433 34.385 -1.952 1
1 834 . 6 1 1 A 66 66 GLU N N 66 115.721 118.238 -2.517 1
1 835 . 6 1 1 A 67 67 ILE H H 67 9.938 9.462 0.476 1
1 836 . 6 1 1 A 67 67 ILE HA H 67 5.291 5.070 0.221 1
1 846 . 6 1 1 A 67 67 ILE C C 67 175.627 175.527 0.100 1
1 847 . 6 1 1 A 67 67 ILE CA C 67 56.241 60.748 -4.507 1
1 848 . 6 1 1 A 67 67 ILE CB C 67 35.492 39.053 -3.561 1
1 852 . 6 1 1 A 67 67 ILE N N 67 125.901 123.276 2.625 1
1 853 . 6 1 1 A 68 68 ASP H H 68 8.794 9.263 -0.469 1
1 854 . 6 1 1 A 68 68 ASP HA H 68 5.002 4.815 0.187 1
1 857 . 6 1 1 A 68 68 ASP C C 68 174.427 177.810 -3.383 1
1 858 . 6 1 1 A 68 68 ASP CA C 68 51.563 54.554 -2.991 1
1 859 . 6 1 1 A 68 68 ASP CB C 68 40.493 42.009 -1.516 1
1 860 . 6 1 1 A 68 68 ASP N N 68 127.844 128.058 -0.214 1
1 861 . 6 1 1 A 69 69 PHE H H 69 9.068 9.244 -0.176 1
1 862 . 6 1 1 A 69 69 PHE HA H 69 3.130 3.821 -0.691 1
1 869 . 6 1 1 A 69 69 PHE C C 69 176.827 177.705 -0.878 1
1 870 . 6 1 1 A 69 69 PHE CA C 69 62.478 61.517 0.961 1
1 871 . 6 1 1 A 69 69 PHE CB C 69 38.096 38.878 -0.782 1
1 872 . 6 1 1 A 69 69 PHE N N 69 118.955 123.223 -4.268 1
1 873 . 6 1 1 A 70 70 LYS H H 70 8.123 8.386 -0.263 1
1 874 . 6 1 1 A 70 70 LYS HA H 70 3.871 3.940 -0.069 1
1 883 . 6 1 1 A 70 70 LYS C C 70 179.527 179.316 0.211 1
1 884 . 6 1 1 A 70 70 LYS CA C 70 59.457 59.352 0.105 1
1 885 . 6 1 1 A 70 70 LYS CB C 70 30.772 31.668 -0.896 1
1 889 . 6 1 1 A 70 70 LYS N N 70 120.287 119.370 0.917 1
1 890 . 6 1 1 A 71 71 GLU H H 71 8.746 8.011 0.735 1
1 891 . 6 1 1 A 71 71 GLU HA H 71 4.099 4.183 -0.084 1
1 896 . 6 1 1 A 71 71 GLU C C 71 179.127 179.081 0.046 1
1 897 . 6 1 1 A 71 71 GLU CA C 71 57.934 58.971 -1.037 1
1 898 . 6 1 1 A 71 71 GLU CB C 71 29.266 30.200 -0.934 1
1 900 . 6 1 1 A 71 71 GLU N N 71 122.207 119.188 3.019 1
1 901 . 6 1 1 A 72 72 TYR H H 72 8.879 8.624 0.255 1
1 902 . 6 1 1 A 72 72 TYR HA H 72 4.010 4.287 -0.277 1
1 909 . 6 1 1 A 72 72 TYR C C 72 175.927 177.837 -1.910 1
1 910 . 6 1 1 A 72 72 TYR CA C 72 58.551 61.726 -3.175 1
1 911 . 6 1 1 A 72 72 TYR CB C 72 38.072 39.298 -1.226 1
1 912 . 6 1 1 A 72 72 TYR N N 72 121.813 122.250 -0.437 1
1 913 . 6 1 1 A 73 73 SER H H 73 8.414 8.039 0.375 1
1 914 . 6 1 1 A 73 73 SER HA H 73 3.462 4.355 -0.893 1
1 917 . 6 1 1 A 73 73 SER C C 73 175.127 176.117 -0.990 1
1 918 . 6 1 1 A 73 73 SER CA C 73 61.876 62.344 -0.468 1
1 919 . 6 1 1 A 73 73 SER CB C 73 61.327 63.248 -1.921 1
1 920 . 6 1 1 A 73 73 SER N N 73 117.840 116.416 1.424 1
1 921 . 6 1 1 A 74 74 VAL H H 74 7.363 8.539 -1.176 1
1 922 . 6 1 1 A 74 74 VAL HA H 74 3.584 3.865 -0.281 1
1 930 . 6 1 1 A 74 74 VAL C C 74 178.027 177.788 0.239 1
1 931 . 6 1 1 A 74 74 VAL CA C 74 65.397 65.050 0.347 1
1 932 . 6 1 1 A 74 74 VAL CB C 74 30.300 31.772 -1.472 1
1 935 . 6 1 1 A 74 74 VAL N N 74 123.439 120.095 3.344 1
1 936 . 6 1 1 A 75 75 PHE H H 75 7.282 8.357 -1.075 1
1 937 . 6 1 1 A 75 75 PHE HA H 75 4.562 4.001 0.561 1
1 945 . 6 1 1 A 75 75 PHE C C 75 176.127 176.932 -0.805 1
1 946 . 6 1 1 A 75 75 PHE CA C 75 57.851 61.168 -3.317 1
1 947 . 6 1 1 A 75 75 PHE CB C 75 36.863 38.814 -1.951 1
1 948 . 6 1 1 A 75 75 PHE N N 75 122.766 122.561 0.205 1
1 949 . 6 1 1 A 76 76 LEU H H 76 7.823 8.440 -0.617 1
1 950 . 6 1 1 A 76 76 LEU HA H 76 3.445 3.705 -0.260 1
1 960 . 6 1 1 A 76 76 LEU C C 76 178.927 179.585 -0.658 1
1 961 . 6 1 1 A 76 76 LEU CA C 76 56.891 57.810 -0.919 1
1 962 . 6 1 1 A 76 76 LEU CB C 76 39.917 41.242 -1.325 1
1 966 . 6 1 1 A 76 76 LEU N N 76 115.619 118.977 -3.358 1
1 967 . 6 1 1 A 77 77 THR H H 77 7.858 7.805 0.053 1
1 968 . 6 1 1 A 77 77 THR HA H 77 3.665 3.879 -0.214 1
1 974 . 6 1 1 A 77 77 THR C C 77 175.427 176.825 -1.398 1
1 975 . 6 1 1 A 77 77 THR CA C 77 66.127 66.766 -0.639 1
1 976 . 6 1 1 A 77 77 THR CB C 77 67.585 68.358 -0.773 1
1 978 . 6 1 1 A 77 77 THR N N 77 113.417 115.659 -2.242 1
1 979 . 6 1 1 A 78 78 MET H H 78 7.970 8.435 -0.465 1
1 980 . 6 1 1 A 78 78 MET HA H 78 3.935 4.031 -0.096 1
1 988 . 6 1 1 A 78 78 MET C C 78 179.127 178.802 0.325 1
1 989 . 6 1 1 A 78 78 MET CA C 78 58.780 58.937 -0.157 1
1 990 . 6 1 1 A 78 78 MET CB C 78 31.501 32.659 -1.158 1
1 993 . 6 1 1 A 78 78 MET N N 78 122.745 118.197 4.548 1
1 994 . 6 1 1 A 79 79 LEU H H 79 7.898 8.328 -0.430 1
1 995 . 6 1 1 A 79 79 LEU HA H 79 3.870 4.008 -0.138 1
1 1005 . 6 1 1 A 79 79 LEU C C 79 178.427 178.766 -0.339 1
1 1006 . 6 1 1 A 79 79 LEU CA C 79 56.843 58.023 -1.180 1
1 1007 . 6 1 1 A 79 79 LEU CB C 79 41.099 41.553 -0.454 1
1 1011 . 6 1 1 A 79 79 LEU N N 79 120.989 119.531 1.458 1
1 1012 . 6 1 1 A 80 80 CYS H H 80 8.400 8.635 -0.235 1
1 1013 . 6 1 1 A 80 80 CYS HA H 80 3.830 4.225 -0.395 1
1 1017 . 6 1 1 A 80 80 CYS C C 80 175.927 177.605 -1.678 1
1 1018 . 6 1 1 A 80 80 CYS CA C 80 64.044 62.837 1.207 1
1 1019 . 6 1 1 A 80 80 CYS CB C 80 25.626 26.667 -1.041 1
1 1020 . 6 1 1 A 80 80 CYS N N 80 117.746 116.717 1.029 1
1 1021 . 6 1 1 A 81 81 MET H H 81 8.295 8.488 -0.193 1
1 1022 . 6 1 1 A 81 81 MET HA H 81 4.023 4.168 -0.145 1
1 1030 . 6 1 1 A 81 81 MET C C 81 177.327 178.022 -0.695 1
1 1031 . 6 1 1 A 81 81 MET CA C 81 57.601 58.906 -1.305 1
1 1032 . 6 1 1 A 81 81 MET CB C 81 30.668 32.846 -2.178 1
1 1035 . 6 1 1 A 81 81 MET N N 81 117.598 120.082 -2.484 1
1 1036 . 6 1 1 A 82 82 ALA H H 82 7.624 7.920 -0.296 1
1 1037 . 6 1 1 A 82 82 ALA HA H 82 4.061 4.084 -0.023 1
1 1041 . 6 1 1 A 82 82 ALA C C 82 179.627 179.536 0.091 1
1 1042 . 6 1 1 A 82 82 ALA CA C 82 53.856 55.472 -1.616 1
1 1043 . 6 1 1 A 82 82 ALA CB C 82 16.794 18.631 -1.837 1
1 1044 . 6 1 1 A 82 82 ALA N N 82 121.886 121.319 0.567 1
1 1045 . 6 1 1 A 83 83 TYR H H 83 8.476 8.008 0.468 1
1 1046 . 6 1 1 A 83 83 TYR HA H 83 4.147 4.465 -0.318 1
1 1053 . 6 1 1 A 83 83 TYR C C 83 178.127 178.662 -0.535 1
1 1054 . 6 1 1 A 83 83 TYR CA C 83 60.066 61.620 -1.554 1
1 1055 . 6 1 1 A 83 83 TYR CB C 83 36.546 37.573 -1.027 1
1 1056 . 6 1 1 A 83 83 TYR N N 83 119.136 116.466 2.670 1
1 1057 . 6 1 1 A 84 84 ASN H H 84 8.386 8.304 0.082 1
1 1058 . 6 1 1 A 84 84 ASN HA H 84 4.221 4.524 -0.303 1
1 1063 . 6 1 1 A 84 84 ASN C C 84 175.427 177.454 -2.027 1
1 1064 . 6 1 1 A 84 84 ASN CA C 84 56.123 56.786 -0.663 1
1 1065 . 6 1 1 A 84 84 ASN CB C 84 37.387 38.659 -1.272 1
1 1066 . 6 1 1 A 84 84 ASN N N 84 120.692 119.473 1.219 1
1 1068 . 6 1 1 A 85 85 ASP H H 85 7.611 7.928 -0.317 1
1 1069 . 6 1 1 A 85 85 ASP HA H 85 4.234 4.407 -0.173 1
1 1072 . 6 1 1 A 85 85 ASP C C 85 178.227 178.837 -0.610 1
1 1073 . 6 1 1 A 85 85 ASP CA C 85 56.752 57.261 -0.509 1
1 1074 . 6 1 1 A 85 85 ASP CB C 85 38.688 40.047 -1.359 1
1 1075 . 6 1 1 A 85 85 ASP N N 85 118.378 118.617 -0.239 1
1 1076 . 6 1 1 A 86 86 PHE H H 86 7.538 8.168 -0.630 1
1 1077 . 6 1 1 A 86 86 PHE HA H 86 4.291 4.216 0.075 1
1 1084 . 6 1 1 A 86 86 PHE C C 86 176.627 177.627 -1.000 1
1 1085 . 6 1 1 A 86 86 PHE CA C 86 58.743 61.417 -2.674 1
1 1086 . 6 1 1 A 86 86 PHE CB C 86 37.488 38.772 -1.284 1
1 1087 . 6 1 1 A 86 86 PHE N N 86 118.712 122.022 -3.310 1
1 1088 . 6 1 1 A 87 87 PHE H H 87 8.132 8.419 -0.287 1
1 1089 . 6 1 1 A 87 87 PHE HA H 87 3.906 4.158 -0.252 1
1 1096 . 6 1 1 A 87 87 PHE C C 87 176.627 177.221 -0.594 1
1 1097 . 6 1 1 A 87 87 PHE CA C 87 59.554 61.657 -2.103 1
1 1098 . 6 1 1 A 87 87 PHE CB C 87 38.017 39.452 -1.435 1
1 1099 . 6 1 1 A 87 87 PHE N N 87 121.649 120.062 1.587 1
1 1100 . 6 1 1 A 88 88 LEU H H 88 7.953 7.716 0.237 1
1 1101 . 6 1 1 A 88 88 LEU HA H 88 3.775 4.197 -0.422 1
1 1111 . 6 1 1 A 88 88 LEU C C 88 177.627 177.744 -0.117 1
1 1112 . 6 1 1 A 88 88 LEU CA C 88 55.078 56.983 -1.905 1
1 1113 . 6 1 1 A 88 88 LEU CB C 88 41.226 41.798 -0.572 1
1 1117 . 6 1 1 A 88 88 LEU N N 88 118.897 119.214 -0.317 1
1 1118 . 6 1 1 A 89 89 GLU H H 89 7.475 7.811 -0.336 1
1 1119 . 6 1 1 A 89 89 GLU HA H 89 3.914 4.331 -0.417 1
1 1124 . 6 1 1 A 89 89 GLU C C 89 176.127 177.031 -0.904 1
1 1125 . 6 1 1 A 89 89 GLU CA C 89 56.926 57.144 -0.218 1
1 1126 . 6 1 1 A 89 89 GLU CB C 89 28.567 29.773 -1.206 1
1 1128 . 6 1 1 A 89 89 GLU N N 89 119.332 118.724 0.608 1
1 1129 . 6 1 1 A 90 90 ASP H H 90 7.750 7.908 -0.158 1
1 1130 . 6 1 1 A 90 90 ASP HA H 90 4.370 4.567 -0.197 1
1 1133 . 6 1 1 A 90 90 ASP C C 90 175.227 177.917 -2.690 1
1 1134 . 6 1 1 A 90 90 ASP CA C 90 53.593 56.073 -2.480 1
1 1135 . 6 1 1 A 90 90 ASP CB C 90 40.323 41.361 -1.038 1
1 1136 . 6 1 1 A 90 90 ASP N N 90 118.945 120.535 -1.590 1
1 1137 . 6 1 1 A 91 91 ASN H H 91 7.681 7.912 -0.231 1
1 1138 . 6 1 1 A 91 91 ASN HA H 91 4.495 4.721 -0.226 1
1 1143 . 6 1 1 A 91 91 ASN C C 91 173.027 175.600 -2.573 1
1 1144 . 6 1 1 A 91 91 ASN CA C 91 52.041 54.001 -1.960 1
1 1145 . 6 1 1 A 91 91 ASN CB C 91 38.072 38.459 -0.387 1
1 1146 . 6 1 1 A 91 91 ASN N N 91 118.171 116.705 1.466 1
1 10 . 7 1 1 A 2 2 GLU H H 2 8.776 8.806 -0.030 1
1 11 . 7 1 1 A 2 2 GLU HA H 2 4.535 4.523 0.012 1
1 16 . 7 1 1 A 2 2 GLU C C 2 175.627 176.467 -0.840 1
1 17 . 7 1 1 A 2 2 GLU CA C 2 55.573 57.675 -2.102 1
1 18 . 7 1 1 A 2 2 GLU CB C 2 30.569 31.495 -0.926 1
1 20 . 7 1 1 A 2 2 GLU N N 2 124.305 117.121 7.184 1
1 21 . 7 1 1 A 3 3 THR H H 3 8.835 7.738 1.097 1
1 22 . 7 1 1 A 3 3 THR HA H 3 4.608 4.739 -0.131 1
1 27 . 7 1 1 A 3 3 THR CA C 3 59.187 58.834 0.353 1
1 28 . 7 1 1 A 3 3 THR CB C 3 67.385 70.376 -2.991 1
1 30 . 7 1 1 A 3 3 THR N N 3 116.176 111.516 4.660 1
1 31 . 7 1 1 A 4 4 PRO HA H 4 4.158 4.389 -0.231 1
1 38 . 7 1 1 A 4 4 PRO C C 4 179.327 177.797 1.530 1
1 39 . 7 1 1 A 4 4 PRO CA C 4 65.040 65.005 0.035 1
1 40 . 7 1 1 A 4 4 PRO CB C 4 30.616 31.919 -1.303 1
1 43 . 7 1 1 A 5 5 LEU H H 5 8.794 7.622 1.172 1
1 44 . 7 1 1 A 5 5 LEU HA H 5 3.944 4.028 -0.084 1
1 54 . 7 1 1 A 5 5 LEU C C 5 177.327 178.209 -0.882 1
1 55 . 7 1 1 A 5 5 LEU CA C 5 56.920 57.255 -0.335 1
1 56 . 7 1 1 A 5 5 LEU CB C 5 41.139 42.034 -0.895 1
1 60 . 7 1 1 A 5 5 LEU N N 5 118.892 118.108 0.784 1
1 61 . 7 1 1 A 6 6 GLU H H 6 7.664 8.411 -0.747 1
1 62 . 7 1 1 A 6 6 GLU HA H 6 3.744 4.010 -0.266 1
1 67 . 7 1 1 A 6 6 GLU C C 6 178.827 179.327 -0.500 1
1 68 . 7 1 1 A 6 6 GLU CA C 6 59.347 59.438 -0.091 1
1 69 . 7 1 1 A 6 6 GLU CB C 6 28.700 29.211 -0.511 1
1 71 . 7 1 1 A 6 6 GLU N N 6 118.741 118.915 -0.174 1
1 72 . 7 1 1 A 7 7 LYS H H 7 8.435 8.236 0.199 1
1 73 . 7 1 1 A 7 7 LYS HA H 7 3.909 4.354 -0.445 1
1 82 . 7 1 1 A 7 7 LYS C C 7 178.527 178.860 -0.333 1
1 83 . 7 1 1 A 7 7 LYS CA C 7 58.539 58.986 -0.447 1
1 84 . 7 1 1 A 7 7 LYS CB C 7 31.217 31.894 -0.677 1
1 88 . 7 1 1 A 7 7 LYS N N 7 119.285 119.325 -0.040 1
1 89 . 7 1 1 A 8 8 ALA H H 8 8.008 7.925 0.083 1
1 90 . 7 1 1 A 8 8 ALA HA H 8 4.038 4.037 0.001 1
1 94 . 7 1 1 A 8 8 ALA C C 8 178.327 180.267 -1.940 1
1 95 . 7 1 1 A 8 8 ALA CA C 8 54.356 54.814 -0.458 1
1 96 . 7 1 1 A 8 8 ALA CB C 8 17.509 18.299 -0.790 1
1 97 . 7 1 1 A 8 8 ALA N N 8 123.866 122.737 1.129 1
1 98 . 7 1 1 A 9 9 LEU H H 9 8.163 8.176 -0.013 1
1 99 . 7 1 1 A 9 9 LEU HA H 9 3.809 3.971 -0.162 1
1 109 . 7 1 1 A 9 9 LEU C C 9 178.527 179.255 -0.728 1
1 110 . 7 1 1 A 9 9 LEU CA C 9 57.256 58.151 -0.895 1
1 111 . 7 1 1 A 9 9 LEU CB C 9 40.483 41.138 -0.655 1
1 115 . 7 1 1 A 9 9 LEU N N 9 119.134 118.138 0.996 1
1 116 . 7 1 1 A 10 10 THR H H 10 8.186 8.168 0.018 1
1 117 . 7 1 1 A 10 10 THR HA H 10 3.741 4.104 -0.363 1
1 122 . 7 1 1 A 10 10 THR C C 10 176.727 177.006 -0.279 1
1 123 . 7 1 1 A 10 10 THR CA C 10 66.345 66.074 0.271 1
1 124 . 7 1 1 A 10 10 THR CB C 10 67.558 68.127 -0.569 1
1 126 . 7 1 1 A 10 10 THR N N 10 114.355 111.058 3.297 1
1 127 . 7 1 1 A 11 11 THR H H 11 8.387 7.970 0.417 1
1 128 . 7 1 1 A 11 11 THR HA H 11 3.963 4.036 -0.073 1
1 133 . 7 1 1 A 11 11 THR C C 11 176.827 176.237 0.590 1
1 134 . 7 1 1 A 11 11 THR CA C 11 65.801 67.089 -1.288 1
1 135 . 7 1 1 A 11 11 THR CB C 11 67.140 68.461 -1.321 1
1 137 . 7 1 1 A 11 11 THR N N 11 120.801 117.418 3.383 1
1 138 . 7 1 1 A 12 12 MET H H 12 8.299 8.235 0.064 1
1 139 . 7 1 1 A 12 12 MET HA H 12 3.872 4.233 -0.361 1
1 147 . 7 1 1 A 12 12 MET C C 12 177.827 178.540 -0.713 1
1 148 . 7 1 1 A 12 12 MET CA C 12 59.263 58.411 0.852 1
1 149 . 7 1 1 A 12 12 MET CB C 12 31.845 32.657 -0.812 1
1 152 . 7 1 1 A 12 12 MET N N 12 124.102 118.514 5.588 1
1 153 . 7 1 1 A 13 13 VAL H H 13 7.820 7.830 -0.010 1
1 154 . 7 1 1 A 13 13 VAL HA H 13 3.937 3.801 0.136 1
1 162 . 7 1 1 A 13 13 VAL C C 13 177.127 177.885 -0.758 1
1 163 . 7 1 1 A 13 13 VAL CA C 13 65.677 65.828 -0.151 1
1 164 . 7 1 1 A 13 13 VAL CB C 13 31.656 31.405 0.251 1
1 167 . 7 1 1 A 13 13 VAL N N 13 119.838 116.164 3.674 1
1 168 . 7 1 1 A 14 14 THR H H 14 9.107 8.132 0.975 1
1 169 . 7 1 1 A 14 14 THR HA H 14 3.654 3.959 -0.305 1
1 174 . 7 1 1 A 14 14 THR C C 14 177.527 176.759 0.768 1
1 175 . 7 1 1 A 14 14 THR CA C 14 65.273 66.338 -1.065 1
1 176 . 7 1 1 A 14 14 THR CB C 14 67.652 68.843 -1.191 1
1 178 . 7 1 1 A 14 14 THR N N 14 112.247 116.095 -3.848 1
1 179 . 7 1 1 A 15 15 THR H H 15 8.189 8.113 0.076 1
1 180 . 7 1 1 A 15 15 THR HA H 15 3.864 4.068 -0.204 1
1 186 . 7 1 1 A 15 15 THR C C 15 173.627 176.744 -3.117 1
1 187 . 7 1 1 A 15 15 THR CA C 15 66.930 64.981 1.949 1
1 188 . 7 1 1 A 15 15 THR CB C 15 66.539 68.968 -2.429 1
1 190 . 7 1 1 A 15 15 THR N N 15 117.691 113.658 4.033 1
1 191 . 7 1 1 A 16 16 PHE H H 16 6.850 8.164 -1.314 1
1 192 . 7 1 1 A 16 16 PHE HA H 16 3.417 4.174 -0.757 1
1 199 . 7 1 1 A 16 16 PHE C C 16 175.627 177.060 -1.433 1
1 200 . 7 1 1 A 16 16 PHE CA C 16 61.577 61.369 0.208 1
1 201 . 7 1 1 A 16 16 PHE CB C 16 38.177 39.136 -0.959 1
1 202 . 7 1 1 A 16 16 PHE N N 16 120.169 122.638 -2.469 1
1 203 . 7 1 1 A 17 17 HIS H H 17 6.924 8.212 -1.288 1
1 204 . 7 1 1 A 17 17 HIS HA H 17 4.755 3.934 0.821 1
1 207 . 7 1 1 A 17 17 HIS C C 17 176.227 177.241 -1.014 1
1 208 . 7 1 1 A 17 17 HIS CA C 17 56.810 60.060 -3.250 1
1 209 . 7 1 1 A 17 17 HIS CB C 17 29.597 29.898 -0.301 1
1 210 . 7 1 1 A 17 17 HIS N N 17 115.499 116.738 -1.239 1
1 211 . 7 1 1 A 18 18 LYS H H 18 7.888 7.753 0.135 1
1 212 . 7 1 1 A 18 18 LYS HA H 18 3.870 3.792 0.078 1
1 221 . 7 1 1 A 18 18 LYS C C 18 176.927 177.964 -1.037 1
1 222 . 7 1 1 A 18 18 LYS CA C 18 57.897 59.419 -1.522 1
1 223 . 7 1 1 A 18 18 LYS CB C 18 31.582 31.895 -0.313 1
1 227 . 7 1 1 A 18 18 LYS N N 18 121.217 119.222 1.995 1
1 228 . 7 1 1 A 19 19 TYR H H 19 6.928 7.120 -0.192 1
1 229 . 7 1 1 A 19 19 TYR HA H 19 4.163 4.316 -0.153 1
1 234 . 7 1 1 A 19 19 TYR C C 19 175.027 177.728 -2.701 1
1 235 . 7 1 1 A 19 19 TYR CA C 19 59.335 60.087 -0.752 1
1 236 . 7 1 1 A 19 19 TYR CB C 19 39.515 39.632 -0.117 1
1 237 . 7 1 1 A 19 19 TYR N N 19 114.488 117.622 -3.134 1
1 238 . 7 1 1 A 20 20 SER H H 20 8.021 8.237 -0.216 1
1 239 . 7 1 1 A 20 20 SER HA H 20 3.105 4.029 -0.924 1
1 242 . 7 1 1 A 20 20 SER C C 20 176.527 176.700 -0.173 1
1 243 . 7 1 1 A 20 20 SER CA C 20 60.457 60.747 -0.290 1
1 244 . 7 1 1 A 20 20 SER CB C 20 60.326 62.010 -1.684 1
1 245 . 7 1 1 A 20 20 SER N N 20 112.624 116.395 -3.771 1
1 246 . 7 1 1 A 21 21 GLY H H 21 7.908 8.223 -0.315 1
1 247 . 7 1 1 A 21 21 GLY HA2 H 21 4.197 3.858 0.339 1
1 248 . 7 1 1 A 21 21 GLY HA3 H 21 3.761 3.891 -0.130 1
1 249 . 7 1 1 A 21 21 GLY C C 21 173.027 174.725 -1.698 1
1 250 . 7 1 1 A 21 21 GLY CA C 21 44.357 46.435 -2.078 1
1 251 . 7 1 1 A 21 21 GLY N N 21 112.095 107.133 4.962 1
1 252 . 7 1 1 A 22 22 ARG H H 22 7.470 7.717 -0.247 1
1 253 . 7 1 1 A 22 22 ARG HA H 22 3.956 4.339 -0.383 1
1 260 . 7 1 1 A 22 22 ARG C C 22 176.327 175.594 0.733 1
1 261 . 7 1 1 A 22 22 ARG CA C 22 58.189 55.129 3.060 1
1 262 . 7 1 1 A 22 22 ARG CB C 22 29.483 28.850 0.633 1
1 265 . 7 1 1 A 22 22 ARG N N 22 122.481 120.917 1.564 1
1 266 . 7 1 1 A 23 23 GLU H H 23 9.412 8.519 0.893 1
1 267 . 7 1 1 A 23 23 GLU HA H 23 4.626 4.290 0.336 1
1 272 . 7 1 1 A 23 23 GLU C C 23 175.027 175.707 -0.680 1
1 273 . 7 1 1 A 23 23 GLU CA C 23 53.319 56.664 -3.345 1
1 274 . 7 1 1 A 23 23 GLU CB C 23 32.032 30.624 1.408 1
1 276 . 7 1 1 A 23 23 GLU N N 23 116.123 124.185 -8.062 1
1 277 . 7 1 1 A 24 24 GLY H H 24 9.080 8.536 0.544 1
1 278 . 7 1 1 A 24 24 GLY HA2 H 24 3.694 3.804 -0.110 1
1 279 . 7 1 1 A 24 24 GLY HA3 H 24 3.878 3.886 -0.008 1
1 280 . 7 1 1 A 24 24 GLY C C 24 172.827 173.895 -1.068 1
1 281 . 7 1 1 A 24 24 GLY CA C 24 44.707 46.275 -1.568 1
1 282 . 7 1 1 A 24 24 GLY N N 24 114.015 110.658 3.357 1
1 283 . 7 1 1 A 25 25 SER H H 25 8.465 8.441 0.024 1
1 284 . 7 1 1 A 25 25 SER HA H 25 4.312 4.680 -0.368 1
1 287 . 7 1 1 A 25 25 SER C C 25 178.027 175.285 2.742 1
1 288 . 7 1 1 A 25 25 SER CA C 25 57.478 57.403 0.075 1
1 289 . 7 1 1 A 25 25 SER CB C 25 61.941 64.274 -2.333 1
1 290 . 7 1 1 A 25 25 SER N N 25 117.299 119.751 -2.452 1
1 291 . 7 1 1 A 26 26 LYS H H 26 9.532 8.703 0.829 1
1 292 . 7 1 1 A 26 26 LYS HA H 26 4.660 4.462 0.198 1
1 301 . 7 1 1 A 26 26 LYS C C 26 176.127 176.910 -0.783 1
1 302 . 7 1 1 A 26 26 LYS CA C 26 56.928 57.702 -0.774 1
1 303 . 7 1 1 A 26 26 LYS CB C 26 30.526 33.006 -2.480 1
1 307 . 7 1 1 A 26 26 LYS N N 26 131.209 123.059 8.150 1
1 308 . 7 1 1 A 27 27 LEU H H 27 8.643 7.805 0.838 1
1 309 . 7 1 1 A 27 27 LEU HA H 27 4.583 4.557 0.026 1
1 319 . 7 1 1 A 27 27 LEU C C 27 174.827 176.453 -1.626 1
1 320 . 7 1 1 A 27 27 LEU CA C 27 53.205 54.434 -1.229 1
1 321 . 7 1 1 A 27 27 LEU CB C 27 41.824 42.950 -1.126 1
1 325 . 7 1 1 A 27 27 LEU N N 27 118.729 120.388 -1.659 1
1 326 . 7 1 1 A 28 28 THR H H 28 7.037 7.566 -0.529 1
1 327 . 7 1 1 A 28 28 THR HA H 28 5.168 5.313 -0.145 1
1 332 . 7 1 1 A 28 28 THR C C 28 172.727 172.387 0.340 1
1 333 . 7 1 1 A 28 28 THR CA C 28 57.915 60.308 -2.393 1
1 334 . 7 1 1 A 28 28 THR CB C 28 71.934 71.725 0.209 1
1 336 . 7 1 1 A 28 28 THR N N 28 104.663 110.801 -6.138 1
1 337 . 7 1 1 A 29 29 LEU H H 29 9.517 9.282 0.235 1
1 338 . 7 1 1 A 29 29 LEU HA H 29 5.196 4.901 0.295 1
1 348 . 7 1 1 A 29 29 LEU C C 29 175.527 175.601 -0.074 1
1 349 . 7 1 1 A 29 29 LEU CA C 29 51.653 53.483 -1.830 1
1 350 . 7 1 1 A 29 29 LEU CB C 29 42.301 43.364 -1.063 1
1 354 . 7 1 1 A 29 29 LEU N N 29 125.388 125.199 0.189 1
1 355 . 7 1 1 A 30 30 SER H H 30 10.053 9.169 0.884 1
1 356 . 7 1 1 A 30 30 SER HA H 30 4.475 4.464 0.011 1
1 359 . 7 1 1 A 30 30 SER C C 30 173.427 175.645 -2.218 1
1 360 . 7 1 1 A 30 30 SER CA C 30 55.011 58.549 -3.538 1
1 361 . 7 1 1 A 30 30 SER CB C 30 64.446 63.917 0.529 1
1 362 . 7 1 1 A 30 30 SER N N 30 121.114 122.407 -1.293 1
1 363 . 7 1 1 A 31 31 ARG H H 31 8.992 9.069 -0.077 1
1 364 . 7 1 1 A 31 31 ARG HA H 31 3.923 4.010 -0.087 1
1 371 . 7 1 1 A 31 31 ARG C C 31 177.027 177.528 -0.501 1
1 372 . 7 1 1 A 31 31 ARG CA C 31 59.408 59.055 0.353 1
1 373 . 7 1 1 A 31 31 ARG CB C 31 29.041 29.915 -0.874 1
1 376 . 7 1 1 A 31 31 ARG N N 31 120.513 126.514 -6.001 1
1 377 . 7 1 1 A 32 32 LYS H H 32 7.845 7.932 -0.087 1
1 378 . 7 1 1 A 32 32 LYS HA H 32 3.826 4.238 -0.412 1
1 387 . 7 1 1 A 32 32 LYS C C 32 178.927 179.367 -0.440 1
1 388 . 7 1 1 A 32 32 LYS CA C 32 58.677 58.528 0.149 1
1 389 . 7 1 1 A 32 32 LYS CB C 32 31.964 32.668 -0.704 1
1 393 . 7 1 1 A 32 32 LYS N N 32 117.011 119.153 -2.142 1
1 394 . 7 1 1 A 33 33 GLU H H 33 7.612 8.162 -0.550 1
1 395 . 7 1 1 A 33 33 GLU HA H 33 3.954 4.072 -0.118 1
1 400 . 7 1 1 A 33 33 GLU C C 33 177.227 178.706 -1.479 1
1 401 . 7 1 1 A 33 33 GLU CA C 33 58.289 58.843 -0.554 1
1 402 . 7 1 1 A 33 33 GLU CB C 33 29.757 29.405 0.352 1
1 404 . 7 1 1 A 33 33 GLU N N 33 120.815 119.338 1.477 1
1 405 . 7 1 1 A 34 34 LEU H H 34 8.694 8.453 0.241 1
1 406 . 7 1 1 A 34 34 LEU HA H 34 3.811 3.965 -0.154 1
1 416 . 7 1 1 A 34 34 LEU C C 34 176.927 178.509 -1.582 1
1 417 . 7 1 1 A 34 34 LEU CA C 34 57.025 57.694 -0.669 1
1 418 . 7 1 1 A 34 34 LEU CB C 34 40.638 41.628 -0.990 1
1 422 . 7 1 1 A 34 34 LEU N N 34 119.291 121.895 -2.604 1
1 423 . 7 1 1 A 35 35 LYS H H 35 8.114 8.102 0.012 1
1 424 . 7 1 1 A 35 35 LYS HA H 35 3.569 3.880 -0.311 1
1 433 . 7 1 1 A 35 35 LYS C C 35 177.027 177.825 -0.798 1
1 434 . 7 1 1 A 35 35 LYS CA C 35 59.419 59.405 0.014 1
1 435 . 7 1 1 A 35 35 LYS CB C 35 31.271 32.105 -0.834 1
1 439 . 7 1 1 A 35 35 LYS N N 35 117.277 119.052 -1.775 1
1 440 . 7 1 1 A 36 36 GLU H H 36 7.560 7.495 0.065 1
1 441 . 7 1 1 A 36 36 GLU HA H 36 3.845 4.342 -0.497 1
1 446 . 7 1 1 A 36 36 GLU C C 36 175.827 177.367 -1.540 1
1 447 . 7 1 1 A 36 36 GLU CA C 36 58.190 56.161 2.029 1
1 448 . 7 1 1 A 36 36 GLU CB C 36 28.253 29.700 -1.447 1
1 450 . 7 1 1 A 36 36 GLU N N 36 119.302 117.606 1.696 1
1 451 . 7 1 1 A 37 37 LEU H H 37 7.682 7.559 0.123 1
1 452 . 7 1 1 A 37 37 LEU HA H 37 2.280 3.452 -1.172 1
1 462 . 7 1 1 A 37 37 LEU C C 37 178.327 178.035 0.292 1
1 463 . 7 1 1 A 37 37 LEU CA C 37 58.225 56.741 1.484 1
1 464 . 7 1 1 A 37 37 LEU CB C 37 41.090 42.072 -0.982 1
1 468 . 7 1 1 A 37 37 LEU N N 37 121.690 120.523 1.167 1
1 469 . 7 1 1 A 38 38 ILE H H 38 8.157 7.957 0.200 1
1 470 . 7 1 1 A 38 38 ILE HA H 38 3.292 3.628 -0.336 1
1 480 . 7 1 1 A 38 38 ILE C C 38 177.027 178.164 -1.137 1
1 481 . 7 1 1 A 38 38 ILE CA C 38 65.007 65.580 -0.573 1
1 482 . 7 1 1 A 38 38 ILE CB C 38 37.187 38.119 -0.932 1
1 486 . 7 1 1 A 38 38 ILE N N 38 117.626 120.343 -2.717 1
1 487 . 7 1 1 A 39 39 LYS H H 39 8.068 7.549 0.519 1
1 488 . 7 1 1 A 39 39 LYS HA H 39 3.876 4.082 -0.206 1
1 497 . 7 1 1 A 39 39 LYS C C 39 177.927 178.747 -0.820 1
1 498 . 7 1 1 A 39 39 LYS CA C 39 58.204 58.698 -0.494 1
1 499 . 7 1 1 A 39 39 LYS CB C 39 31.731 32.275 -0.544 1
1 503 . 7 1 1 A 39 39 LYS N N 39 117.909 120.766 -2.857 1
1 504 . 7 1 1 A 40 40 LYS H H 40 8.094 7.731 0.363 1
1 505 . 7 1 1 A 40 40 LYS HA H 40 4.248 3.982 0.266 1
1 514 . 7 1 1 A 40 40 LYS C C 40 178.227 178.226 0.001 1
1 515 . 7 1 1 A 40 40 LYS CA C 40 56.291 59.349 -3.058 1
1 516 . 7 1 1 A 40 40 LYS CB C 40 32.652 32.597 0.055 1
1 520 . 7 1 1 A 40 40 LYS N N 40 114.323 118.533 -4.210 1
1 521 . 7 1 1 A 41 41 GLU H H 41 8.381 7.991 0.390 1
1 522 . 7 1 1 A 41 41 GLU HA H 41 4.744 4.522 0.222 1
1 527 . 7 1 1 A 41 41 GLU C C 41 176.227 177.985 -1.758 1
1 528 . 7 1 1 A 41 41 GLU CA C 41 55.054 58.029 -2.975 1
1 529 . 7 1 1 A 41 41 GLU CB C 41 29.598 30.827 -1.229 1
1 531 . 7 1 1 A 41 41 GLU N N 41 113.079 117.419 -4.340 1
1 532 . 7 1 1 A 42 42 LEU H H 42 7.544 8.021 -0.477 1
1 533 . 7 1 1 A 42 42 LEU HA H 42 4.754 4.317 0.437 1
1 542 . 7 1 1 A 42 42 LEU CA C 42 52.564 55.144 -2.580 1
1 543 . 7 1 1 A 42 42 LEU CB C 42 43.848 41.321 2.527 1
1 546 . 7 1 1 A 42 42 LEU N N 42 118.458 119.862 -1.404 1
1 547 . 7 1 1 A 43 43 CYS H H 43 8.342 8.293 0.049 1
1 548 . 7 1 1 A 43 43 CYS HA H 43 4.486 4.195 0.291 1
1 551 . 7 1 1 A 43 43 CYS C C 43 174.327 177.459 -3.132 1
1 552 . 7 1 1 A 43 43 CYS CA C 43 57.655 62.155 -4.500 1
1 553 . 7 1 1 A 43 43 CYS CB C 43 25.653 27.476 -1.823 1
1 554 . 7 1 1 A 44 44 LEU H H 44 8.123 7.911 0.212 1
1 555 . 7 1 1 A 44 44 LEU HA H 44 4.339 4.147 0.192 1
1 565 . 7 1 1 A 44 44 LEU C C 44 176.927 178.065 -1.138 1
1 566 . 7 1 1 A 44 44 LEU CA C 44 53.750 57.679 -3.929 1
1 567 . 7 1 1 A 44 44 LEU CB C 44 40.784 41.343 -0.559 1
1 571 . 7 1 1 A 44 44 LEU N N 44 121.974 119.131 2.843 1
1 572 . 7 1 1 A 45 45 GLY H H 45 8.072 7.569 0.503 1
1 573 . 7 1 1 A 45 45 GLY HA2 H 45 3.889 3.839 0.050 1
1 574 . 7 1 1 A 45 45 GLY HA3 H 45 3.698 3.955 -0.257 1
1 575 . 7 1 1 A 45 45 GLY C C 45 173.127 173.449 -0.322 1
1 576 . 7 1 1 A 45 45 GLY CA C 45 44.291 45.216 -0.925 1
1 577 . 7 1 1 A 45 45 GLY N N 45 107.819 107.520 0.299 1
1 578 . 7 1 1 A 46 46 GLU H H 46 8.472 7.917 0.555 1
1 579 . 7 1 1 A 46 46 GLU HA H 46 4.048 4.017 0.031 1
1 584 . 7 1 1 A 46 46 GLU C C 46 175.727 175.724 0.003 1
1 585 . 7 1 1 A 46 46 GLU CA C 46 56.461 57.560 -1.099 1
1 586 . 7 1 1 A 46 46 GLU CB C 46 28.208 27.041 1.167 1
1 588 . 7 1 1 A 46 46 GLU N N 46 120.563 113.975 6.588 1
1 589 . 7 1 1 A 47 47 MET H H 47 8.189 7.434 0.755 1
1 590 . 7 1 1 A 47 47 MET HA H 47 4.413 4.581 -0.168 1
1 598 . 7 1 1 A 47 47 MET C C 47 175.027 175.251 -0.224 1
1 599 . 7 1 1 A 47 47 MET CA C 47 53.905 54.224 -0.319 1
1 600 . 7 1 1 A 47 47 MET CB C 47 32.611 31.643 0.968 1
1 603 . 7 1 1 A 47 47 MET N N 47 123.201 119.323 3.878 1
1 604 . 7 1 1 A 48 48 LYS H H 48 8.355 7.472 0.883 1
1 605 . 7 1 1 A 48 48 LYS HA H 48 4.237 4.504 -0.267 1
1 614 . 7 1 1 A 48 48 LYS C C 48 177.027 177.292 -0.265 1
1 615 . 7 1 1 A 48 48 LYS CA C 48 55.443 55.997 -0.554 1
1 616 . 7 1 1 A 48 48 LYS CB C 48 32.173 33.494 -1.321 1
1 620 . 7 1 1 A 48 48 LYS N N 48 123.046 118.353 4.693 1
1 621 . 7 1 1 A 49 49 GLU H H 49 8.742 8.826 -0.084 1
1 622 . 7 1 1 A 49 49 GLU HA H 49 3.884 3.948 -0.064 1
1 627 . 7 1 1 A 49 49 GLU C C 49 177.727 178.184 -0.457 1
1 628 . 7 1 1 A 49 49 GLU CA C 49 58.534 60.414 -1.880 1
1 629 . 7 1 1 A 49 49 GLU CB C 49 27.870 29.648 -1.778 1
1 631 . 7 1 1 A 49 49 GLU N N 49 122.407 120.128 2.279 1
1 632 . 7 1 1 A 50 50 SER H H 50 8.324 8.093 0.231 1
1 633 . 7 1 1 A 50 50 SER HA H 50 4.188 4.270 -0.082 1
1 636 . 7 1 1 A 50 50 SER C C 50 175.427 176.313 -0.886 1
1 637 . 7 1 1 A 50 50 SER CA C 50 59.402 60.453 -1.051 1
1 638 . 7 1 1 A 50 50 SER CB C 50 61.442 62.757 -1.315 1
1 639 . 7 1 1 A 50 50 SER N N 50 112.475 114.987 -2.512 1
1 640 . 7 1 1 A 51 51 SER H H 51 7.400 8.093 -0.693 1
1 641 . 7 1 1 A 51 51 SER HA H 51 3.926 4.339 -0.413 1
1 644 . 7 1 1 A 51 51 SER C C 51 176.027 176.227 -0.200 1
1 645 . 7 1 1 A 51 51 SER CA C 51 59.762 60.448 -0.686 1
1 646 . 7 1 1 A 51 51 SER CB C 51 60.955 63.005 -2.050 1
1 647 . 7 1 1 A 51 51 SER N N 51 118.432 114.471 3.961 1
1 648 . 7 1 1 A 52 52 ILE H H 52 7.790 8.082 -0.292 1
1 649 . 7 1 1 A 52 52 ILE HA H 52 3.642 3.761 -0.119 1
1 659 . 7 1 1 A 52 52 ILE C C 52 176.427 177.604 -1.177 1
1 660 . 7 1 1 A 52 52 ILE CA C 52 61.984 64.296 -2.312 1
1 661 . 7 1 1 A 52 52 ILE CB C 52 34.990 36.430 -1.440 1
1 665 . 7 1 1 A 52 52 ILE N N 52 123.838 120.973 2.865 1
1 666 . 7 1 1 A 53 53 ASP H H 53 8.092 8.174 -0.082 1
1 667 . 7 1 1 A 53 53 ASP HA H 53 4.225 4.360 -0.135 1
1 670 . 7 1 1 A 53 53 ASP C C 53 178.227 178.551 -0.324 1
1 671 . 7 1 1 A 53 53 ASP CA C 53 56.606 57.520 -0.914 1
1 672 . 7 1 1 A 53 53 ASP CB C 53 39.034 40.377 -1.343 1
1 673 . 7 1 1 A 53 53 ASP N N 53 121.313 121.660 -0.347 1
1 674 . 7 1 1 A 54 54 ASP H H 54 7.811 8.025 -0.214 1
1 675 . 7 1 1 A 54 54 ASP HA H 54 4.253 4.397 -0.144 1
1 678 . 7 1 1 A 54 54 ASP C C 54 177.927 178.183 -0.256 1
1 679 . 7 1 1 A 54 54 ASP CA C 54 56.467 57.194 -0.727 1
1 680 . 7 1 1 A 54 54 ASP CB C 54 39.401 41.080 -1.679 1
1 681 . 7 1 1 A 54 54 ASP N N 54 120.122 119.555 0.567 1
1 682 . 7 1 1 A 55 55 LEU H H 55 7.789 7.600 0.189 1
1 683 . 7 1 1 A 55 55 LEU HA H 55 3.979 4.078 -0.099 1
1 693 . 7 1 1 A 55 55 LEU C C 55 178.027 178.488 -0.461 1
1 694 . 7 1 1 A 55 55 LEU CA C 55 56.713 58.127 -1.414 1
1 695 . 7 1 1 A 55 55 LEU CB C 55 40.799 41.282 -0.483 1
1 699 . 7 1 1 A 55 55 LEU N N 55 122.944 120.553 2.391 1
1 700 . 7 1 1 A 56 56 MET H H 56 8.601 8.737 -0.136 1
1 701 . 7 1 1 A 56 56 MET HA H 56 3.827 3.987 -0.160 1
1 709 . 7 1 1 A 56 56 MET C C 56 177.027 178.090 -1.063 1
1 710 . 7 1 1 A 56 56 MET CA C 56 57.116 58.658 -1.542 1
1 711 . 7 1 1 A 56 56 MET CB C 56 29.825 31.758 -1.933 1
1 714 . 7 1 1 A 56 56 MET N N 56 117.863 119.464 -1.601 1
1 715 . 7 1 1 A 57 57 LYS H H 57 7.693 8.047 -0.354 1
1 716 . 7 1 1 A 57 57 LYS HA H 57 3.954 4.038 -0.084 1
1 725 . 7 1 1 A 57 57 LYS C C 57 178.127 178.223 -0.096 1
1 726 . 7 1 1 A 57 57 LYS CA C 57 58.352 58.964 -0.612 1
1 727 . 7 1 1 A 57 57 LYS CB C 57 31.315 32.153 -0.838 1
1 731 . 7 1 1 A 57 57 LYS N N 57 116.455 119.937 -3.482 1
1 732 . 7 1 1 A 58 58 SER H H 58 7.661 7.815 -0.154 1
1 733 . 7 1 1 A 58 58 SER HA H 58 4.115 4.304 -0.189 1
1 736 . 7 1 1 A 58 58 SER C C 58 174.827 175.990 -1.163 1
1 737 . 7 1 1 A 58 58 SER CA C 58 59.986 60.955 -0.969 1
1 738 . 7 1 1 A 58 58 SER CB C 58 62.464 63.035 -0.571 1
1 739 . 7 1 1 A 58 58 SER N N 58 113.020 114.797 -1.777 1
1 740 . 7 1 1 A 59 59 LEU H H 59 7.917 7.460 0.457 1
1 741 . 7 1 1 A 59 59 LEU HA H 59 4.269 4.337 -0.068 1
1 751 . 7 1 1 A 59 59 LEU C C 59 177.627 176.569 1.058 1
1 752 . 7 1 1 A 59 59 LEU CA C 59 54.402 55.996 -1.594 1
1 753 . 7 1 1 A 59 59 LEU CB C 59 43.731 43.112 0.619 1
1 757 . 7 1 1 A 59 59 LEU N N 59 117.463 119.330 -1.867 1
1 758 . 7 1 1 A 60 60 ASP H H 60 8.025 7.459 0.566 1
1 759 . 7 1 1 A 60 60 ASP HA H 60 4.566 4.615 -0.049 1
1 762 . 7 1 1 A 60 60 ASP C C 60 176.627 176.161 0.466 1
1 763 . 7 1 1 A 60 60 ASP CA C 60 52.335 54.717 -2.382 1
1 764 . 7 1 1 A 60 60 ASP CB C 60 38.139 42.140 -4.001 1
1 765 . 7 1 1 A 60 60 ASP N N 60 117.588 118.531 -0.943 1
1 766 . 7 1 1 A 61 61 LYS H H 61 8.100 9.200 -1.100 1
1 767 . 7 1 1 A 61 61 LYS HA H 61 4.035 4.621 -0.586 1
1 776 . 7 1 1 A 61 61 LYS C C 61 176.727 176.885 -0.158 1
1 777 . 7 1 1 A 61 61 LYS CA C 61 56.887 55.556 1.331 1
1 778 . 7 1 1 A 61 61 LYS CB C 61 31.653 33.260 -1.607 1
1 782 . 7 1 1 A 61 61 LYS N N 61 126.943 123.316 3.627 1
1 783 . 7 1 1 A 62 62 ASN H H 62 7.864 8.104 -0.240 1
1 784 . 7 1 1 A 62 62 ASN HA H 62 4.759 4.889 -0.130 1
1 789 . 7 1 1 A 62 62 ASN C C 62 173.727 175.962 -2.235 1
1 790 . 7 1 1 A 62 62 ASN CA C 62 50.660 53.203 -2.543 1
1 791 . 7 1 1 A 62 62 ASN CB C 62 35.920 40.615 -4.695 1
1 792 . 7 1 1 A 62 62 ASN N N 62 113.588 115.121 -1.533 1
1 794 . 7 1 1 A 63 63 SER H H 63 7.613 8.729 -1.116 1
1 795 . 7 1 1 A 63 63 SER HA H 63 3.962 4.142 -0.180 1
1 798 . 7 1 1 A 63 63 SER C C 63 172.927 174.852 -1.925 1
1 799 . 7 1 1 A 63 63 SER CA C 63 58.262 59.395 -1.133 1
1 800 . 7 1 1 A 63 63 SER CB C 63 60.708 63.008 -2.300 1
1 801 . 7 1 1 A 63 63 SER N N 63 111.592 113.756 -2.164 1
1 802 . 7 1 1 A 64 64 ASP H H 64 8.217 7.791 0.426 1
1 803 . 7 1 1 A 64 64 ASP HA H 64 4.653 4.526 0.127 1
1 806 . 7 1 1 A 64 64 ASP C C 64 175.927 176.404 -0.477 1
1 807 . 7 1 1 A 64 64 ASP CA C 64 51.641 54.482 -2.841 1
1 808 . 7 1 1 A 64 64 ASP CB C 64 39.385 41.360 -1.975 1
1 809 . 7 1 1 A 64 64 ASP N N 64 118.913 120.668 -1.755 1
1 810 . 7 1 1 A 65 65 GLN H H 65 10.239 7.959 2.280 1
1 811 . 7 1 1 A 65 65 GLN HA H 65 3.356 3.952 -0.596 1
1 818 . 7 1 1 A 65 65 GLN C C 65 172.627 174.006 -1.379 1
1 819 . 7 1 1 A 65 65 GLN CA C 65 56.325 57.252 -0.927 1
1 820 . 7 1 1 A 65 65 GLN CB C 65 24.910 26.531 -1.621 1
1 822 . 7 1 1 A 65 65 GLN N N 65 114.908 115.602 -0.694 1
1 824 . 7 1 1 A 66 66 GLU H H 66 7.710 8.154 -0.444 1
1 825 . 7 1 1 A 66 66 GLU HA H 66 4.691 4.947 -0.256 1
1 830 . 7 1 1 A 66 66 GLU C C 66 174.127 174.845 -0.718 1
1 831 . 7 1 1 A 66 66 GLU CA C 66 52.987 54.697 -1.710 1
1 832 . 7 1 1 A 66 66 GLU CB C 66 32.433 32.587 -0.154 1
1 834 . 7 1 1 A 66 66 GLU N N 66 115.721 114.785 0.936 1
1 835 . 7 1 1 A 67 67 ILE H H 67 9.938 8.603 1.335 1
1 836 . 7 1 1 A 67 67 ILE HA H 67 5.291 4.362 0.929 1
1 846 . 7 1 1 A 67 67 ILE C C 67 175.627 175.830 -0.203 1
1 847 . 7 1 1 A 67 67 ILE CA C 67 56.241 61.419 -5.178 1
1 848 . 7 1 1 A 67 67 ILE CB C 67 35.492 37.451 -1.959 1
1 852 . 7 1 1 A 67 67 ILE N N 67 125.901 125.063 0.838 1
1 853 . 7 1 1 A 68 68 ASP H H 68 8.794 9.096 -0.302 1
1 854 . 7 1 1 A 68 68 ASP HA H 68 5.002 4.757 0.245 1
1 857 . 7 1 1 A 68 68 ASP C C 68 174.427 177.668 -3.241 1
1 858 . 7 1 1 A 68 68 ASP CA C 68 51.563 54.676 -3.113 1
1 859 . 7 1 1 A 68 68 ASP CB C 68 40.493 41.745 -1.252 1
1 860 . 7 1 1 A 68 68 ASP N N 68 127.844 128.634 -0.790 1
1 861 . 7 1 1 A 69 69 PHE H H 69 9.068 8.846 0.222 1
1 862 . 7 1 1 A 69 69 PHE HA H 69 3.130 3.807 -0.677 1
1 869 . 7 1 1 A 69 69 PHE C C 69 176.827 177.138 -0.311 1
1 870 . 7 1 1 A 69 69 PHE CA C 69 62.478 61.521 0.957 1
1 871 . 7 1 1 A 69 69 PHE CB C 69 38.096 39.319 -1.223 1
1 872 . 7 1 1 A 69 69 PHE N N 69 118.955 123.219 -4.264 1
1 873 . 7 1 1 A 70 70 LYS H H 70 8.123 8.246 -0.123 1
1 874 . 7 1 1 A 70 70 LYS HA H 70 3.871 3.900 -0.029 1
1 883 . 7 1 1 A 70 70 LYS C C 70 179.527 179.172 0.355 1
1 884 . 7 1 1 A 70 70 LYS CA C 70 59.457 58.826 0.631 1
1 885 . 7 1 1 A 70 70 LYS CB C 70 30.772 32.083 -1.311 1
1 889 . 7 1 1 A 70 70 LYS N N 70 120.287 117.907 2.380 1
1 890 . 7 1 1 A 71 71 GLU H H 71 8.746 8.017 0.729 1
1 891 . 7 1 1 A 71 71 GLU HA H 71 4.099 4.068 0.031 1
1 896 . 7 1 1 A 71 71 GLU C C 71 179.127 178.861 0.266 1
1 897 . 7 1 1 A 71 71 GLU CA C 71 57.934 58.886 -0.952 1
1 898 . 7 1 1 A 71 71 GLU CB C 71 29.266 29.527 -0.261 1
1 900 . 7 1 1 A 71 71 GLU N N 71 122.207 119.732 2.475 1
1 901 . 7 1 1 A 72 72 TYR H H 72 8.879 8.368 0.511 1
1 902 . 7 1 1 A 72 72 TYR HA H 72 4.010 4.249 -0.239 1
1 909 . 7 1 1 A 72 72 TYR C C 72 175.927 177.906 -1.979 1
1 910 . 7 1 1 A 72 72 TYR CA C 72 58.551 61.615 -3.064 1
1 911 . 7 1 1 A 72 72 TYR CB C 72 38.072 38.537 -0.465 1
1 912 . 7 1 1 A 72 72 TYR N N 72 121.813 122.514 -0.701 1
1 913 . 7 1 1 A 73 73 SER H H 73 8.414 7.489 0.925 1
1 914 . 7 1 1 A 73 73 SER HA H 73 3.462 4.019 -0.557 1
1 917 . 7 1 1 A 73 73 SER C C 73 175.127 176.022 -0.895 1
1 918 . 7 1 1 A 73 73 SER CA C 73 61.876 62.039 -0.163 1
1 919 . 7 1 1 A 73 73 SER CB C 73 61.327 62.771 -1.444 1
1 920 . 7 1 1 A 73 73 SER N N 73 117.840 115.834 2.006 1
1 921 . 7 1 1 A 74 74 VAL H H 74 7.363 8.126 -0.763 1
1 922 . 7 1 1 A 74 74 VAL HA H 74 3.584 3.671 -0.087 1
1 930 . 7 1 1 A 74 74 VAL C C 74 178.027 178.159 -0.132 1
1 931 . 7 1 1 A 74 74 VAL CA C 74 65.397 66.087 -0.690 1
1 932 . 7 1 1 A 74 74 VAL CB C 74 30.300 31.689 -1.389 1
1 935 . 7 1 1 A 74 74 VAL N N 74 123.439 121.635 1.804 1
1 936 . 7 1 1 A 75 75 PHE H H 75 7.282 7.761 -0.479 1
1 937 . 7 1 1 A 75 75 PHE HA H 75 4.562 4.044 0.518 1
1 945 . 7 1 1 A 75 75 PHE C C 75 176.127 177.037 -0.910 1
1 946 . 7 1 1 A 75 75 PHE CA C 75 57.851 61.087 -3.236 1
1 947 . 7 1 1 A 75 75 PHE CB C 75 36.863 38.781 -1.918 1
1 948 . 7 1 1 A 75 75 PHE N N 75 122.766 120.917 1.849 1
1 949 . 7 1 1 A 76 76 LEU H H 76 7.823 7.837 -0.014 1
1 950 . 7 1 1 A 76 76 LEU HA H 76 3.445 3.422 0.023 1
1 960 . 7 1 1 A 76 76 LEU C C 76 178.927 178.908 0.019 1
1 961 . 7 1 1 A 76 76 LEU CA C 76 56.891 57.937 -1.046 1
1 962 . 7 1 1 A 76 76 LEU CB C 76 39.917 41.717 -1.800 1
1 966 . 7 1 1 A 76 76 LEU N N 76 115.619 119.497 -3.878 1
1 967 . 7 1 1 A 77 77 THR H H 77 7.858 7.717 0.141 1
1 968 . 7 1 1 A 77 77 THR HA H 77 3.665 3.690 -0.025 1
1 974 . 7 1 1 A 77 77 THR C C 77 175.427 176.801 -1.374 1
1 975 . 7 1 1 A 77 77 THR CA C 77 66.127 66.749 -0.622 1
1 976 . 7 1 1 A 77 77 THR CB C 77 67.585 68.459 -0.874 1
1 978 . 7 1 1 A 77 77 THR N N 77 113.417 113.699 -0.282 1
1 979 . 7 1 1 A 78 78 MET H H 78 7.970 8.262 -0.292 1
1 980 . 7 1 1 A 78 78 MET HA H 78 3.935 3.960 -0.025 1
1 988 . 7 1 1 A 78 78 MET C C 78 179.127 178.722 0.405 1
1 989 . 7 1 1 A 78 78 MET CA C 78 58.780 58.827 -0.047 1
1 990 . 7 1 1 A 78 78 MET CB C 78 31.501 32.478 -0.977 1
1 993 . 7 1 1 A 78 78 MET N N 78 122.745 118.165 4.580 1
1 994 . 7 1 1 A 79 79 LEU H H 79 7.898 7.907 -0.009 1
1 995 . 7 1 1 A 79 79 LEU HA H 79 3.870 3.917 -0.047 1
1 1005 . 7 1 1 A 79 79 LEU C C 79 178.427 178.873 -0.446 1
1 1006 . 7 1 1 A 79 79 LEU CA C 79 56.843 57.819 -0.976 1
1 1007 . 7 1 1 A 79 79 LEU CB C 79 41.099 41.448 -0.349 1
1 1011 . 7 1 1 A 79 79 LEU N N 79 120.989 119.326 1.663 1
1 1012 . 7 1 1 A 80 80 CYS H H 80 8.400 8.558 -0.158 1
1 1013 . 7 1 1 A 80 80 CYS HA H 80 3.830 4.261 -0.431 1
1 1017 . 7 1 1 A 80 80 CYS C C 80 175.927 177.579 -1.652 1
1 1018 . 7 1 1 A 80 80 CYS CA C 80 64.044 62.816 1.228 1
1 1019 . 7 1 1 A 80 80 CYS CB C 80 25.626 26.512 -0.886 1
1 1020 . 7 1 1 A 80 80 CYS N N 80 117.746 117.526 0.220 1
1 1021 . 7 1 1 A 81 81 MET H H 81 8.295 8.407 -0.112 1
1 1022 . 7 1 1 A 81 81 MET HA H 81 4.023 4.165 -0.142 1
1 1030 . 7 1 1 A 81 81 MET C C 81 177.327 178.147 -0.820 1
1 1031 . 7 1 1 A 81 81 MET CA C 81 57.601 58.892 -1.291 1
1 1032 . 7 1 1 A 81 81 MET CB C 81 30.668 32.477 -1.809 1
1 1035 . 7 1 1 A 81 81 MET N N 81 117.598 119.850 -2.252 1
1 1036 . 7 1 1 A 82 82 ALA H H 82 7.624 7.754 -0.130 1
1 1037 . 7 1 1 A 82 82 ALA HA H 82 4.061 4.038 0.023 1
1 1041 . 7 1 1 A 82 82 ALA C C 82 179.627 179.615 0.012 1
1 1042 . 7 1 1 A 82 82 ALA CA C 82 53.856 55.228 -1.372 1
1 1043 . 7 1 1 A 82 82 ALA CB C 82 16.794 18.551 -1.757 1
1 1044 . 7 1 1 A 82 82 ALA N N 82 121.886 121.588 0.298 1
1 1045 . 7 1 1 A 83 83 TYR H H 83 8.476 8.061 0.415 1
1 1046 . 7 1 1 A 83 83 TYR HA H 83 4.147 4.269 -0.122 1
1 1053 . 7 1 1 A 83 83 TYR C C 83 178.127 178.145 -0.018 1
1 1054 . 7 1 1 A 83 83 TYR CA C 83 60.066 61.429 -1.363 1
1 1055 . 7 1 1 A 83 83 TYR CB C 83 36.546 37.348 -0.802 1
1 1056 . 7 1 1 A 83 83 TYR N N 83 119.136 116.285 2.851 1
1 1057 . 7 1 1 A 84 84 ASN H H 84 8.386 8.244 0.142 1
1 1058 . 7 1 1 A 84 84 ASN HA H 84 4.221 4.457 -0.236 1
1 1063 . 7 1 1 A 84 84 ASN C C 84 175.427 177.592 -2.165 1
1 1064 . 7 1 1 A 84 84 ASN CA C 84 56.123 56.858 -0.735 1
1 1065 . 7 1 1 A 84 84 ASN CB C 84 37.387 38.903 -1.516 1
1 1066 . 7 1 1 A 84 84 ASN N N 84 120.692 119.703 0.989 1
1 1068 . 7 1 1 A 85 85 ASP H H 85 7.611 7.569 0.042 1
1 1069 . 7 1 1 A 85 85 ASP HA H 85 4.234 4.460 -0.226 1
1 1072 . 7 1 1 A 85 85 ASP C C 85 178.227 178.475 -0.248 1
1 1073 . 7 1 1 A 85 85 ASP CA C 85 56.752 57.169 -0.417 1
1 1074 . 7 1 1 A 85 85 ASP CB C 85 38.688 40.984 -2.296 1
1 1075 . 7 1 1 A 85 85 ASP N N 85 118.378 119.401 -1.023 1
1 1076 . 7 1 1 A 86 86 PHE H H 86 7.538 8.241 -0.703 1
1 1077 . 7 1 1 A 86 86 PHE HA H 86 4.291 4.282 0.009 1
1 1084 . 7 1 1 A 86 86 PHE C C 86 176.627 177.647 -1.020 1
1 1085 . 7 1 1 A 86 86 PHE CA C 86 58.743 61.480 -2.737 1
1 1086 . 7 1 1 A 86 86 PHE CB C 86 37.488 38.921 -1.433 1
1 1087 . 7 1 1 A 86 86 PHE N N 86 118.712 120.568 -1.856 1
1 1088 . 7 1 1 A 87 87 PHE H H 87 8.132 8.247 -0.115 1
1 1089 . 7 1 1 A 87 87 PHE HA H 87 3.906 4.185 -0.279 1
1 1096 . 7 1 1 A 87 87 PHE C C 87 176.627 177.144 -0.517 1
1 1097 . 7 1 1 A 87 87 PHE CA C 87 59.554 61.596 -2.042 1
1 1098 . 7 1 1 A 87 87 PHE CB C 87 38.017 39.554 -1.537 1
1 1099 . 7 1 1 A 87 87 PHE N N 87 121.649 120.256 1.393 1
1 1100 . 7 1 1 A 88 88 LEU H H 88 7.953 7.779 0.174 1
1 1101 . 7 1 1 A 88 88 LEU HA H 88 3.775 4.086 -0.311 1
1 1111 . 7 1 1 A 88 88 LEU C C 88 177.627 177.712 -0.085 1
1 1112 . 7 1 1 A 88 88 LEU CA C 88 55.078 56.718 -1.640 1
1 1113 . 7 1 1 A 88 88 LEU CB C 88 41.226 41.848 -0.622 1
1 1117 . 7 1 1 A 88 88 LEU N N 88 118.897 119.035 -0.138 1
1 1118 . 7 1 1 A 89 89 GLU H H 89 7.475 7.819 -0.344 1
1 1119 . 7 1 1 A 89 89 GLU HA H 89 3.914 4.390 -0.476 1
1 1124 . 7 1 1 A 89 89 GLU C C 89 176.127 177.146 -1.019 1
1 1125 . 7 1 1 A 89 89 GLU CA C 89 56.926 56.688 0.238 1
1 1126 . 7 1 1 A 89 89 GLU CB C 89 28.567 30.517 -1.950 1
1 1128 . 7 1 1 A 89 89 GLU N N 89 119.332 118.112 1.220 1
1 1129 . 7 1 1 A 90 90 ASP H H 90 7.750 8.061 -0.311 1
1 1130 . 7 1 1 A 90 90 ASP HA H 90 4.370 4.616 -0.246 1
1 1133 . 7 1 1 A 90 90 ASP C C 90 175.227 177.808 -2.581 1
1 1134 . 7 1 1 A 90 90 ASP CA C 90 53.593 56.033 -2.440 1
1 1135 . 7 1 1 A 90 90 ASP CB C 90 40.323 41.511 -1.188 1
1 1136 . 7 1 1 A 90 90 ASP N N 90 118.945 120.718 -1.773 1
1 1137 . 7 1 1 A 91 91 ASN H H 91 7.681 7.414 0.267 1
1 1138 . 7 1 1 A 91 91 ASN HA H 91 4.495 4.663 -0.168 1
1 1143 . 7 1 1 A 91 91 ASN C C 91 173.027 174.709 -1.682 1
1 1144 . 7 1 1 A 91 91 ASN CA C 91 52.041 53.243 -1.202 1
1 1145 . 7 1 1 A 91 91 ASN CB C 91 38.072 38.483 -0.411 1
1 1146 . 7 1 1 A 91 91 ASN N N 91 118.171 115.576 2.595 1
1 10 . 8 1 1 A 2 2 GLU H H 2 8.776 8.958 -0.182 1
1 11 . 8 1 1 A 2 2 GLU HA H 2 4.535 4.808 -0.273 1
1 16 . 8 1 1 A 2 2 GLU C C 2 175.627 176.313 -0.686 1
1 17 . 8 1 1 A 2 2 GLU CA C 2 55.573 54.959 0.614 1
1 18 . 8 1 1 A 2 2 GLU CB C 2 30.569 32.417 -1.848 1
1 20 . 8 1 1 A 2 2 GLU N N 2 124.305 124.860 -0.555 1
1 21 . 8 1 1 A 3 3 THR H H 3 8.835 8.463 0.372 1
1 22 . 8 1 1 A 3 3 THR HA H 3 4.608 4.397 0.211 1
1 27 . 8 1 1 A 3 3 THR CA C 3 59.187 60.735 -1.548 1
1 28 . 8 1 1 A 3 3 THR CB C 3 67.385 68.921 -1.536 1
1 30 . 8 1 1 A 3 3 THR N N 3 116.176 115.422 0.754 1
1 31 . 8 1 1 A 4 4 PRO HA H 4 4.158 4.449 -0.291 1
1 38 . 8 1 1 A 4 4 PRO C C 4 179.327 178.011 1.316 1
1 39 . 8 1 1 A 4 4 PRO CA C 4 65.040 64.803 0.237 1
1 40 . 8 1 1 A 4 4 PRO CB C 4 30.616 31.979 -1.363 1
1 43 . 8 1 1 A 5 5 LEU H H 5 8.794 7.711 1.083 1
1 44 . 8 1 1 A 5 5 LEU HA H 5 3.944 4.015 -0.071 1
1 54 . 8 1 1 A 5 5 LEU C C 5 177.327 178.162 -0.835 1
1 55 . 8 1 1 A 5 5 LEU CA C 5 56.920 57.319 -0.399 1
1 56 . 8 1 1 A 5 5 LEU CB C 5 41.139 42.081 -0.942 1
1 60 . 8 1 1 A 5 5 LEU N N 5 118.892 118.053 0.839 1
1 61 . 8 1 1 A 6 6 GLU H H 6 7.664 8.045 -0.381 1
1 62 . 8 1 1 A 6 6 GLU HA H 6 3.744 3.901 -0.157 1
1 67 . 8 1 1 A 6 6 GLU C C 6 178.827 179.151 -0.324 1
1 68 . 8 1 1 A 6 6 GLU CA C 6 59.347 60.053 -0.706 1
1 69 . 8 1 1 A 6 6 GLU CB C 6 28.700 29.499 -0.799 1
1 71 . 8 1 1 A 6 6 GLU N N 6 118.741 119.410 -0.669 1
1 72 . 8 1 1 A 7 7 LYS H H 7 8.435 7.917 0.518 1
1 73 . 8 1 1 A 7 7 LYS HA H 7 3.909 4.350 -0.441 1
1 82 . 8 1 1 A 7 7 LYS C C 7 178.527 178.869 -0.342 1
1 83 . 8 1 1 A 7 7 LYS CA C 7 58.539 58.690 -0.151 1
1 84 . 8 1 1 A 7 7 LYS CB C 7 31.217 32.254 -1.037 1
1 88 . 8 1 1 A 7 7 LYS N N 7 119.285 118.388 0.897 1
1 89 . 8 1 1 A 8 8 ALA H H 8 8.008 7.884 0.124 1
1 90 . 8 1 1 A 8 8 ALA HA H 8 4.038 4.049 -0.011 1
1 94 . 8 1 1 A 8 8 ALA C C 8 178.327 180.060 -1.733 1
1 95 . 8 1 1 A 8 8 ALA CA C 8 54.356 54.850 -0.494 1
1 96 . 8 1 1 A 8 8 ALA CB C 8 17.509 18.331 -0.822 1
1 97 . 8 1 1 A 8 8 ALA N N 8 123.866 122.640 1.226 1
1 98 . 8 1 1 A 9 9 LEU H H 9 8.163 8.130 0.033 1
1 99 . 8 1 1 A 9 9 LEU HA H 9 3.809 3.943 -0.134 1
1 109 . 8 1 1 A 9 9 LEU C C 9 178.527 179.336 -0.809 1
1 110 . 8 1 1 A 9 9 LEU CA C 9 57.256 57.974 -0.718 1
1 111 . 8 1 1 A 9 9 LEU CB C 9 40.483 41.962 -1.479 1
1 115 . 8 1 1 A 9 9 LEU N N 9 119.134 118.698 0.436 1
1 116 . 8 1 1 A 10 10 THR H H 10 8.186 7.992 0.194 1
1 117 . 8 1 1 A 10 10 THR HA H 10 3.741 4.143 -0.402 1
1 122 . 8 1 1 A 10 10 THR C C 10 176.727 177.048 -0.321 1
1 123 . 8 1 1 A 10 10 THR CA C 10 66.345 66.058 0.287 1
1 124 . 8 1 1 A 10 10 THR CB C 10 67.558 67.706 -0.148 1
1 126 . 8 1 1 A 10 10 THR N N 10 114.355 110.133 4.222 1
1 127 . 8 1 1 A 11 11 THR H H 11 8.387 8.197 0.190 1
1 128 . 8 1 1 A 11 11 THR HA H 11 3.963 3.972 -0.009 1
1 133 . 8 1 1 A 11 11 THR C C 11 176.827 176.963 -0.136 1
1 134 . 8 1 1 A 11 11 THR CA C 11 65.801 66.798 -0.997 1
1 135 . 8 1 1 A 11 11 THR CB C 11 67.140 68.103 -0.963 1
1 137 . 8 1 1 A 11 11 THR N N 11 120.801 116.782 4.019 1
1 138 . 8 1 1 A 12 12 MET H H 12 8.299 8.324 -0.025 1
1 139 . 8 1 1 A 12 12 MET HA H 12 3.872 4.314 -0.442 1
1 147 . 8 1 1 A 12 12 MET C C 12 177.827 178.660 -0.833 1
1 148 . 8 1 1 A 12 12 MET CA C 12 59.263 57.314 1.949 1
1 149 . 8 1 1 A 12 12 MET CB C 12 31.845 32.405 -0.560 1
1 152 . 8 1 1 A 12 12 MET N N 12 124.102 118.703 5.399 1
1 153 . 8 1 1 A 13 13 VAL H H 13 7.820 8.569 -0.749 1
1 154 . 8 1 1 A 13 13 VAL HA H 13 3.937 3.986 -0.049 1
1 162 . 8 1 1 A 13 13 VAL C C 13 177.127 178.689 -1.562 1
1 163 . 8 1 1 A 13 13 VAL CA C 13 65.677 66.175 -0.498 1
1 164 . 8 1 1 A 13 13 VAL CB C 13 31.656 31.733 -0.077 1
1 167 . 8 1 1 A 13 13 VAL N N 13 119.838 119.683 0.155 1
1 168 . 8 1 1 A 14 14 THR H H 14 9.107 8.573 0.534 1
1 169 . 8 1 1 A 14 14 THR HA H 14 3.654 4.051 -0.397 1
1 174 . 8 1 1 A 14 14 THR C C 14 177.527 176.505 1.022 1
1 175 . 8 1 1 A 14 14 THR CA C 14 65.273 66.391 -1.118 1
1 176 . 8 1 1 A 14 14 THR CB C 14 67.652 68.787 -1.135 1
1 178 . 8 1 1 A 14 14 THR N N 14 112.247 117.165 -4.918 1
1 179 . 8 1 1 A 15 15 THR H H 15 8.189 8.283 -0.094 1
1 180 . 8 1 1 A 15 15 THR HA H 15 3.864 4.145 -0.281 1
1 186 . 8 1 1 A 15 15 THR C C 15 173.627 176.815 -3.188 1
1 187 . 8 1 1 A 15 15 THR CA C 15 66.930 65.800 1.130 1
1 188 . 8 1 1 A 15 15 THR CB C 15 66.539 68.442 -1.903 1
1 190 . 8 1 1 A 15 15 THR N N 15 117.691 111.798 5.893 1
1 191 . 8 1 1 A 16 16 PHE H H 16 6.850 8.166 -1.316 1
1 192 . 8 1 1 A 16 16 PHE HA H 16 3.417 4.146 -0.729 1
1 199 . 8 1 1 A 16 16 PHE C C 16 175.627 177.205 -1.578 1
1 200 . 8 1 1 A 16 16 PHE CA C 16 61.577 61.429 0.148 1
1 201 . 8 1 1 A 16 16 PHE CB C 16 38.177 39.141 -0.964 1
1 202 . 8 1 1 A 16 16 PHE N N 16 120.169 124.031 -3.862 1
1 203 . 8 1 1 A 17 17 HIS H H 17 6.924 8.702 -1.778 1
1 204 . 8 1 1 A 17 17 HIS HA H 17 4.755 4.084 0.671 1
1 207 . 8 1 1 A 17 17 HIS C C 17 176.227 177.201 -0.974 1
1 208 . 8 1 1 A 17 17 HIS CA C 17 56.810 59.927 -3.117 1
1 209 . 8 1 1 A 17 17 HIS CB C 17 29.597 29.879 -0.282 1
1 210 . 8 1 1 A 17 17 HIS N N 17 115.499 118.711 -3.212 1
1 211 . 8 1 1 A 18 18 LYS H H 18 7.888 8.175 -0.287 1
1 212 . 8 1 1 A 18 18 LYS HA H 18 3.870 3.935 -0.065 1
1 221 . 8 1 1 A 18 18 LYS C C 18 176.927 178.801 -1.874 1
1 222 . 8 1 1 A 18 18 LYS CA C 18 57.897 59.102 -1.205 1
1 223 . 8 1 1 A 18 18 LYS CB C 18 31.582 32.358 -0.776 1
1 227 . 8 1 1 A 18 18 LYS N N 18 121.217 118.748 2.469 1
1 228 . 8 1 1 A 19 19 TYR H H 19 6.928 8.031 -1.103 1
1 229 . 8 1 1 A 19 19 TYR HA H 19 4.163 4.092 0.071 1
1 234 . 8 1 1 A 19 19 TYR C C 19 175.027 177.536 -2.509 1
1 235 . 8 1 1 A 19 19 TYR CA C 19 59.335 61.477 -2.142 1
1 236 . 8 1 1 A 19 19 TYR CB C 19 39.515 37.186 2.329 1
1 237 . 8 1 1 A 19 19 TYR N N 19 114.488 118.544 -4.056 1
1 238 . 8 1 1 A 20 20 SER H H 20 8.021 8.250 -0.229 1
1 239 . 8 1 1 A 20 20 SER HA H 20 3.105 4.073 -0.968 1
1 242 . 8 1 1 A 20 20 SER C C 20 176.527 175.697 0.830 1
1 243 . 8 1 1 A 20 20 SER CA C 20 60.457 60.597 -0.140 1
1 244 . 8 1 1 A 20 20 SER CB C 20 60.326 62.287 -1.961 1
1 245 . 8 1 1 A 20 20 SER N N 20 112.624 115.649 -3.025 1
1 246 . 8 1 1 A 21 21 GLY H H 21 7.908 7.604 0.304 1
1 247 . 8 1 1 A 21 21 GLY HA2 H 21 4.197 3.911 0.286 1
1 248 . 8 1 1 A 21 21 GLY HA3 H 21 3.761 3.924 -0.163 1
1 249 . 8 1 1 A 21 21 GLY C C 21 173.027 174.434 -1.407 1
1 250 . 8 1 1 A 21 21 GLY CA C 21 44.357 45.620 -1.263 1
1 251 . 8 1 1 A 21 21 GLY N N 21 112.095 107.097 4.998 1
1 252 . 8 1 1 A 22 22 ARG H H 22 7.470 7.739 -0.269 1
1 253 . 8 1 1 A 22 22 ARG HA H 22 3.956 4.504 -0.548 1
1 260 . 8 1 1 A 22 22 ARG C C 22 176.327 175.187 1.140 1
1 261 . 8 1 1 A 22 22 ARG CA C 22 58.189 54.756 3.433 1
1 262 . 8 1 1 A 22 22 ARG CB C 22 29.483 31.011 -1.528 1
1 265 . 8 1 1 A 22 22 ARG N N 22 122.481 119.237 3.244 1
1 266 . 8 1 1 A 23 23 GLU H H 23 9.412 7.449 1.963 1
1 267 . 8 1 1 A 23 23 GLU HA H 23 4.626 4.386 0.240 1
1 272 . 8 1 1 A 23 23 GLU C C 23 175.027 175.641 -0.614 1
1 273 . 8 1 1 A 23 23 GLU CA C 23 53.319 56.185 -2.866 1
1 274 . 8 1 1 A 23 23 GLU CB C 23 32.032 31.144 0.888 1
1 276 . 8 1 1 A 23 23 GLU N N 23 116.123 118.163 -2.040 1
1 277 . 8 1 1 A 24 24 GLY H H 24 9.080 8.553 0.527 1
1 278 . 8 1 1 A 24 24 GLY HA2 H 24 3.694 3.849 -0.155 1
1 279 . 8 1 1 A 24 24 GLY HA3 H 24 3.878 3.887 -0.009 1
1 280 . 8 1 1 A 24 24 GLY C C 24 172.827 173.834 -1.007 1
1 281 . 8 1 1 A 24 24 GLY CA C 24 44.707 46.766 -2.059 1
1 282 . 8 1 1 A 24 24 GLY N N 24 114.015 110.459 3.556 1
1 283 . 8 1 1 A 25 25 SER H H 25 8.465 8.750 -0.285 1
1 284 . 8 1 1 A 25 25 SER HA H 25 4.312 4.568 -0.256 1
1 287 . 8 1 1 A 25 25 SER C C 25 178.027 173.141 4.886 1
1 288 . 8 1 1 A 25 25 SER CA C 25 57.478 57.044 0.434 1
1 289 . 8 1 1 A 25 25 SER CB C 25 61.941 65.057 -3.116 1
1 290 . 8 1 1 A 25 25 SER N N 25 117.299 118.626 -1.327 1
1 291 . 8 1 1 A 26 26 LYS H H 26 9.532 8.591 0.941 1
1 292 . 8 1 1 A 26 26 LYS HA H 26 4.660 4.809 -0.149 1
1 301 . 8 1 1 A 26 26 LYS C C 26 176.127 176.678 -0.551 1
1 302 . 8 1 1 A 26 26 LYS CA C 26 56.928 55.269 1.659 1
1 303 . 8 1 1 A 26 26 LYS CB C 26 30.526 34.134 -3.608 1
1 307 . 8 1 1 A 26 26 LYS N N 26 131.209 124.221 6.988 1
1 308 . 8 1 1 A 27 27 LEU H H 27 8.643 8.747 -0.104 1
1 309 . 8 1 1 A 27 27 LEU HA H 27 4.583 4.326 0.257 1
1 319 . 8 1 1 A 27 27 LEU C C 27 174.827 175.704 -0.877 1
1 320 . 8 1 1 A 27 27 LEU CA C 27 53.205 56.346 -3.141 1
1 321 . 8 1 1 A 27 27 LEU CB C 27 41.824 41.856 -0.032 1
1 325 . 8 1 1 A 27 27 LEU N N 27 118.729 126.609 -7.880 1
1 326 . 8 1 1 A 28 28 THR H H 28 7.037 7.729 -0.692 1
1 327 . 8 1 1 A 28 28 THR HA H 28 5.168 5.232 -0.064 1
1 332 . 8 1 1 A 28 28 THR C C 28 172.727 173.379 -0.652 1
1 333 . 8 1 1 A 28 28 THR CA C 28 57.915 59.425 -1.510 1
1 334 . 8 1 1 A 28 28 THR CB C 28 71.934 71.778 0.156 1
1 336 . 8 1 1 A 28 28 THR N N 28 104.663 111.778 -7.115 1
1 337 . 8 1 1 A 29 29 LEU H H 29 9.517 9.120 0.397 1
1 338 . 8 1 1 A 29 29 LEU HA H 29 5.196 4.673 0.523 1
1 348 . 8 1 1 A 29 29 LEU C C 29 175.527 176.287 -0.760 1
1 349 . 8 1 1 A 29 29 LEU CA C 29 51.653 53.531 -1.878 1
1 350 . 8 1 1 A 29 29 LEU CB C 29 42.301 42.557 -0.256 1
1 354 . 8 1 1 A 29 29 LEU N N 29 125.388 124.498 0.890 1
1 355 . 8 1 1 A 30 30 SER H H 30 10.053 8.898 1.155 1
1 356 . 8 1 1 A 30 30 SER HA H 30 4.475 4.644 -0.169 1
1 359 . 8 1 1 A 30 30 SER C C 30 173.427 175.500 -2.073 1
1 360 . 8 1 1 A 30 30 SER CA C 30 55.011 58.481 -3.470 1
1 361 . 8 1 1 A 30 30 SER CB C 30 64.446 63.934 0.512 1
1 362 . 8 1 1 A 30 30 SER N N 30 121.114 120.659 0.455 1
1 363 . 8 1 1 A 31 31 ARG H H 31 8.992 8.457 0.535 1
1 364 . 8 1 1 A 31 31 ARG HA H 31 3.923 4.021 -0.098 1
1 371 . 8 1 1 A 31 31 ARG C C 31 177.027 177.487 -0.460 1
1 372 . 8 1 1 A 31 31 ARG CA C 31 59.408 59.358 0.050 1
1 373 . 8 1 1 A 31 31 ARG CB C 31 29.041 29.944 -0.903 1
1 376 . 8 1 1 A 31 31 ARG N N 31 120.513 126.528 -6.015 1
1 377 . 8 1 1 A 32 32 LYS H H 32 7.845 7.803 0.042 1
1 378 . 8 1 1 A 32 32 LYS HA H 32 3.826 4.257 -0.431 1
1 387 . 8 1 1 A 32 32 LYS C C 32 178.927 178.638 0.289 1
1 388 . 8 1 1 A 32 32 LYS CA C 32 58.677 57.719 0.958 1
1 389 . 8 1 1 A 32 32 LYS CB C 32 31.964 33.159 -1.195 1
1 393 . 8 1 1 A 32 32 LYS N N 32 117.011 118.499 -1.488 1
1 394 . 8 1 1 A 33 33 GLU H H 33 7.612 7.836 -0.224 1
1 395 . 8 1 1 A 33 33 GLU HA H 33 3.954 4.033 -0.079 1
1 400 . 8 1 1 A 33 33 GLU C C 33 177.227 179.073 -1.846 1
1 401 . 8 1 1 A 33 33 GLU CA C 33 58.289 58.967 -0.678 1
1 402 . 8 1 1 A 33 33 GLU CB C 33 29.757 29.355 0.402 1
1 404 . 8 1 1 A 33 33 GLU N N 33 120.815 120.544 0.271 1
1 405 . 8 1 1 A 34 34 LEU H H 34 8.694 8.122 0.572 1
1 406 . 8 1 1 A 34 34 LEU HA H 34 3.811 3.896 -0.085 1
1 416 . 8 1 1 A 34 34 LEU C C 34 176.927 178.167 -1.240 1
1 417 . 8 1 1 A 34 34 LEU CA C 34 57.025 57.893 -0.868 1
1 418 . 8 1 1 A 34 34 LEU CB C 34 40.638 41.768 -1.130 1
1 422 . 8 1 1 A 34 34 LEU N N 34 119.291 121.179 -1.888 1
1 423 . 8 1 1 A 35 35 LYS H H 35 8.114 7.685 0.429 1
1 424 . 8 1 1 A 35 35 LYS HA H 35 3.569 3.805 -0.236 1
1 433 . 8 1 1 A 35 35 LYS C C 35 177.027 178.634 -1.607 1
1 434 . 8 1 1 A 35 35 LYS CA C 35 59.419 59.520 -0.101 1
1 435 . 8 1 1 A 35 35 LYS CB C 35 31.271 31.858 -0.587 1
1 439 . 8 1 1 A 35 35 LYS N N 35 117.277 118.768 -1.491 1
1 440 . 8 1 1 A 36 36 GLU H H 36 7.560 7.853 -0.293 1
1 441 . 8 1 1 A 36 36 GLU HA H 36 3.845 3.955 -0.110 1
1 446 . 8 1 1 A 36 36 GLU C C 36 175.827 178.181 -2.354 1
1 447 . 8 1 1 A 36 36 GLU CA C 36 58.190 59.070 -0.880 1
1 448 . 8 1 1 A 36 36 GLU CB C 36 28.253 29.217 -0.964 1
1 450 . 8 1 1 A 36 36 GLU N N 36 119.302 119.190 0.112 1
1 451 . 8 1 1 A 37 37 LEU H H 37 7.682 7.872 -0.190 1
1 452 . 8 1 1 A 37 37 LEU HA H 37 2.280 3.371 -1.091 1
1 462 . 8 1 1 A 37 37 LEU C C 37 178.327 178.097 0.230 1
1 463 . 8 1 1 A 37 37 LEU CA C 37 58.225 58.070 0.155 1
1 464 . 8 1 1 A 37 37 LEU CB C 37 41.090 41.355 -0.265 1
1 468 . 8 1 1 A 37 37 LEU N N 37 121.690 120.357 1.333 1
1 469 . 8 1 1 A 38 38 ILE H H 38 8.157 8.109 0.048 1
1 470 . 8 1 1 A 38 38 ILE HA H 38 3.292 3.950 -0.658 1
1 480 . 8 1 1 A 38 38 ILE C C 38 177.027 178.512 -1.485 1
1 481 . 8 1 1 A 38 38 ILE CA C 38 65.007 65.270 -0.263 1
1 482 . 8 1 1 A 38 38 ILE CB C 38 37.187 37.364 -0.177 1
1 486 . 8 1 1 A 38 38 ILE N N 38 117.626 119.973 -2.347 1
1 487 . 8 1 1 A 39 39 LYS H H 39 8.068 7.930 0.138 1
1 488 . 8 1 1 A 39 39 LYS HA H 39 3.876 4.218 -0.342 1
1 497 . 8 1 1 A 39 39 LYS C C 39 177.927 177.536 0.391 1
1 498 . 8 1 1 A 39 39 LYS CA C 39 58.204 58.498 -0.294 1
1 499 . 8 1 1 A 39 39 LYS CB C 39 31.731 32.369 -0.638 1
1 503 . 8 1 1 A 39 39 LYS N N 39 117.909 119.948 -2.039 1
1 504 . 8 1 1 A 40 40 LYS H H 40 8.094 7.901 0.193 1
1 505 . 8 1 1 A 40 40 LYS HA H 40 4.248 4.261 -0.013 1
1 514 . 8 1 1 A 40 40 LYS C C 40 178.227 177.207 1.020 1
1 515 . 8 1 1 A 40 40 LYS CA C 40 56.291 57.150 -0.859 1
1 516 . 8 1 1 A 40 40 LYS CB C 40 32.652 33.076 -0.424 1
1 520 . 8 1 1 A 40 40 LYS N N 40 114.323 117.720 -3.397 1
1 521 . 8 1 1 A 41 41 GLU H H 41 8.381 7.991 0.390 1
1 522 . 8 1 1 A 41 41 GLU HA H 41 4.744 4.450 0.294 1
1 527 . 8 1 1 A 41 41 GLU C C 41 176.227 177.736 -1.509 1
1 528 . 8 1 1 A 41 41 GLU CA C 41 55.054 58.025 -2.971 1
1 529 . 8 1 1 A 41 41 GLU CB C 41 29.598 30.410 -0.812 1
1 531 . 8 1 1 A 41 41 GLU N N 41 113.079 119.079 -6.000 1
1 532 . 8 1 1 A 42 42 LEU H H 42 7.544 8.035 -0.491 1
1 533 . 8 1 1 A 42 42 LEU HA H 42 4.754 4.366 0.388 1
1 542 . 8 1 1 A 42 42 LEU CA C 42 52.564 54.856 -2.292 1
1 543 . 8 1 1 A 42 42 LEU CB C 42 43.848 41.276 2.572 1
1 546 . 8 1 1 A 42 42 LEU N N 42 118.458 119.790 -1.332 1
1 547 . 8 1 1 A 43 43 CYS H H 43 8.342 8.240 0.102 1
1 548 . 8 1 1 A 43 43 CYS HA H 43 4.486 4.178 0.308 1
1 551 . 8 1 1 A 43 43 CYS C C 43 174.327 177.178 -2.851 1
1 552 . 8 1 1 A 43 43 CYS CA C 43 57.655 62.282 -4.627 1
1 553 . 8 1 1 A 43 43 CYS CB C 43 25.653 27.576 -1.923 1
1 554 . 8 1 1 A 44 44 LEU H H 44 8.123 7.776 0.347 1
1 555 . 8 1 1 A 44 44 LEU HA H 44 4.339 4.108 0.231 1
1 565 . 8 1 1 A 44 44 LEU C C 44 176.927 178.007 -1.080 1
1 566 . 8 1 1 A 44 44 LEU CA C 44 53.750 57.871 -4.121 1
1 567 . 8 1 1 A 44 44 LEU CB C 44 40.784 41.515 -0.731 1
1 571 . 8 1 1 A 44 44 LEU N N 44 121.974 119.233 2.741 1
1 572 . 8 1 1 A 45 45 GLY H H 45 8.072 7.797 0.275 1
1 573 . 8 1 1 A 45 45 GLY HA2 H 45 3.889 3.886 0.003 1
1 574 . 8 1 1 A 45 45 GLY HA3 H 45 3.698 3.986 -0.288 1
1 575 . 8 1 1 A 45 45 GLY C C 45 173.127 174.675 -1.548 1
1 576 . 8 1 1 A 45 45 GLY CA C 45 44.291 45.477 -1.186 1
1 577 . 8 1 1 A 45 45 GLY N N 45 107.819 107.123 0.696 1
1 578 . 8 1 1 A 46 46 GLU H H 46 8.472 8.438 0.034 1
1 579 . 8 1 1 A 46 46 GLU HA H 46 4.048 4.397 -0.349 1
1 584 . 8 1 1 A 46 46 GLU C C 46 175.727 174.909 0.818 1
1 585 . 8 1 1 A 46 46 GLU CA C 46 56.461 58.545 -2.084 1
1 586 . 8 1 1 A 46 46 GLU CB C 46 28.208 29.106 -0.898 1
1 588 . 8 1 1 A 46 46 GLU N N 46 120.563 118.381 2.182 1
1 589 . 8 1 1 A 47 47 MET H H 47 8.189 8.894 -0.705 1
1 590 . 8 1 1 A 47 47 MET HA H 47 4.413 5.252 -0.839 1
1 598 . 8 1 1 A 47 47 MET C C 47 175.027 175.544 -0.517 1
1 599 . 8 1 1 A 47 47 MET CA C 47 53.905 53.730 0.175 1
1 600 . 8 1 1 A 47 47 MET CB C 47 32.611 33.926 -1.315 1
1 603 . 8 1 1 A 47 47 MET N N 47 123.201 124.128 -0.927 1
1 604 . 8 1 1 A 48 48 LYS H H 48 8.355 8.898 -0.543 1
1 605 . 8 1 1 A 48 48 LYS HA H 48 4.237 4.585 -0.348 1
1 614 . 8 1 1 A 48 48 LYS C C 48 177.027 177.910 -0.883 1
1 615 . 8 1 1 A 48 48 LYS CA C 48 55.443 54.491 0.952 1
1 616 . 8 1 1 A 48 48 LYS CB C 48 32.173 33.092 -0.919 1
1 620 . 8 1 1 A 48 48 LYS N N 48 123.046 124.295 -1.249 1
1 621 . 8 1 1 A 49 49 GLU H H 49 8.742 9.034 -0.292 1
1 622 . 8 1 1 A 49 49 GLU HA H 49 3.884 4.098 -0.214 1
1 627 . 8 1 1 A 49 49 GLU C C 49 177.727 177.763 -0.036 1
1 628 . 8 1 1 A 49 49 GLU CA C 49 58.534 59.270 -0.736 1
1 629 . 8 1 1 A 49 49 GLU CB C 49 27.870 29.077 -1.207 1
1 631 . 8 1 1 A 49 49 GLU N N 49 122.407 121.904 0.503 1
1 632 . 8 1 1 A 50 50 SER H H 50 8.324 8.076 0.248 1
1 633 . 8 1 1 A 50 50 SER HA H 50 4.188 4.457 -0.269 1
1 636 . 8 1 1 A 50 50 SER C C 50 175.427 175.091 0.336 1
1 637 . 8 1 1 A 50 50 SER CA C 50 59.402 58.208 1.194 1
1 638 . 8 1 1 A 50 50 SER CB C 50 61.442 61.812 -0.370 1
1 639 . 8 1 1 A 50 50 SER N N 50 112.475 114.874 -2.399 1
1 640 . 8 1 1 A 51 51 SER H H 51 7.400 8.471 -1.071 1
1 641 . 8 1 1 A 51 51 SER HA H 51 3.926 4.652 -0.726 1
1 644 . 8 1 1 A 51 51 SER C C 51 176.027 175.188 0.839 1
1 645 . 8 1 1 A 51 51 SER CA C 51 59.762 59.062 0.700 1
1 646 . 8 1 1 A 51 51 SER CB C 51 60.955 65.964 -5.009 1
1 647 . 8 1 1 A 51 51 SER N N 51 118.432 116.922 1.510 1
1 648 . 8 1 1 A 52 52 ILE H H 52 7.790 8.360 -0.570 1
1 649 . 8 1 1 A 52 52 ILE HA H 52 3.642 3.633 0.009 1
1 659 . 8 1 1 A 52 52 ILE C C 52 176.427 178.045 -1.618 1
1 660 . 8 1 1 A 52 52 ILE CA C 52 61.984 65.103 -3.119 1
1 661 . 8 1 1 A 52 52 ILE CB C 52 34.990 37.277 -2.287 1
1 665 . 8 1 1 A 52 52 ILE N N 52 123.838 121.049 2.789 1
1 666 . 8 1 1 A 53 53 ASP H H 53 8.092 8.155 -0.063 1
1 667 . 8 1 1 A 53 53 ASP HA H 53 4.225 4.411 -0.186 1
1 670 . 8 1 1 A 53 53 ASP C C 53 178.227 178.268 -0.041 1
1 671 . 8 1 1 A 53 53 ASP CA C 53 56.606 56.888 -0.282 1
1 672 . 8 1 1 A 53 53 ASP CB C 53 39.034 40.426 -1.392 1
1 673 . 8 1 1 A 53 53 ASP N N 53 121.313 120.694 0.619 1
1 674 . 8 1 1 A 54 54 ASP H H 54 7.811 7.887 -0.076 1
1 675 . 8 1 1 A 54 54 ASP HA H 54 4.253 4.388 -0.135 1
1 678 . 8 1 1 A 54 54 ASP C C 54 177.927 178.380 -0.453 1
1 679 . 8 1 1 A 54 54 ASP CA C 54 56.467 56.849 -0.382 1
1 680 . 8 1 1 A 54 54 ASP CB C 54 39.401 40.870 -1.469 1
1 681 . 8 1 1 A 54 54 ASP N N 54 120.122 119.405 0.717 1
1 682 . 8 1 1 A 55 55 LEU H H 55 7.789 8.180 -0.391 1
1 683 . 8 1 1 A 55 55 LEU HA H 55 3.979 4.123 -0.144 1
1 693 . 8 1 1 A 55 55 LEU C C 55 178.027 178.541 -0.514 1
1 694 . 8 1 1 A 55 55 LEU CA C 55 56.713 58.185 -1.472 1
1 695 . 8 1 1 A 55 55 LEU CB C 55 40.799 41.135 -0.336 1
1 699 . 8 1 1 A 55 55 LEU N N 55 122.944 120.662 2.282 1
1 700 . 8 1 1 A 56 56 MET H H 56 8.601 8.796 -0.195 1
1 701 . 8 1 1 A 56 56 MET HA H 56 3.827 4.023 -0.196 1
1 709 . 8 1 1 A 56 56 MET C C 56 177.027 178.222 -1.195 1
1 710 . 8 1 1 A 56 56 MET CA C 56 57.116 58.668 -1.552 1
1 711 . 8 1 1 A 56 56 MET CB C 56 29.825 31.718 -1.893 1
1 714 . 8 1 1 A 56 56 MET N N 56 117.863 119.319 -1.456 1
1 715 . 8 1 1 A 57 57 LYS H H 57 7.693 7.689 0.004 1
1 716 . 8 1 1 A 57 57 LYS HA H 57 3.954 4.125 -0.171 1
1 725 . 8 1 1 A 57 57 LYS C C 57 178.127 178.529 -0.402 1
1 726 . 8 1 1 A 57 57 LYS CA C 57 58.352 58.836 -0.484 1
1 727 . 8 1 1 A 57 57 LYS CB C 57 31.315 32.139 -0.824 1
1 731 . 8 1 1 A 57 57 LYS N N 57 116.455 120.266 -3.811 1
1 732 . 8 1 1 A 58 58 SER H H 58 7.661 7.822 -0.161 1
1 733 . 8 1 1 A 58 58 SER HA H 58 4.115 4.301 -0.186 1
1 736 . 8 1 1 A 58 58 SER C C 58 174.827 176.990 -2.163 1
1 737 . 8 1 1 A 58 58 SER CA C 58 59.986 61.156 -1.170 1
1 738 . 8 1 1 A 58 58 SER CB C 58 62.464 62.985 -0.521 1
1 739 . 8 1 1 A 58 58 SER N N 58 113.020 114.875 -1.855 1
1 740 . 8 1 1 A 59 59 LEU H H 59 7.917 7.545 0.372 1
1 741 . 8 1 1 A 59 59 LEU HA H 59 4.269 4.283 -0.014 1
1 751 . 8 1 1 A 59 59 LEU C C 59 177.627 177.213 0.414 1
1 752 . 8 1 1 A 59 59 LEU CA C 59 54.402 57.553 -3.151 1
1 753 . 8 1 1 A 59 59 LEU CB C 59 43.731 42.491 1.240 1
1 757 . 8 1 1 A 59 59 LEU N N 59 117.463 119.135 -1.672 1
1 758 . 8 1 1 A 60 60 ASP H H 60 8.025 8.340 -0.315 1
1 759 . 8 1 1 A 60 60 ASP HA H 60 4.566 4.563 0.003 1
1 762 . 8 1 1 A 60 60 ASP C C 60 176.627 175.536 1.091 1
1 763 . 8 1 1 A 60 60 ASP CA C 60 52.335 54.697 -2.362 1
1 764 . 8 1 1 A 60 60 ASP CB C 60 38.139 41.674 -3.535 1
1 765 . 8 1 1 A 60 60 ASP N N 60 117.588 118.106 -0.518 1
1 766 . 8 1 1 A 61 61 LYS H H 61 8.100 9.150 -1.050 1
1 767 . 8 1 1 A 61 61 LYS HA H 61 4.035 4.576 -0.541 1
1 776 . 8 1 1 A 61 61 LYS C C 61 176.727 177.877 -1.150 1
1 777 . 8 1 1 A 61 61 LYS CA C 61 56.887 56.743 0.144 1
1 778 . 8 1 1 A 61 61 LYS CB C 61 31.653 34.017 -2.364 1
1 782 . 8 1 1 A 61 61 LYS N N 61 126.943 126.353 0.590 1
1 783 . 8 1 1 A 62 62 ASN H H 62 7.864 7.745 0.119 1
1 784 . 8 1 1 A 62 62 ASN HA H 62 4.759 4.697 0.062 1
1 789 . 8 1 1 A 62 62 ASN C C 62 173.727 175.696 -1.969 1
1 790 . 8 1 1 A 62 62 ASN CA C 62 50.660 52.323 -1.663 1
1 791 . 8 1 1 A 62 62 ASN CB C 62 35.920 38.130 -2.210 1
1 792 . 8 1 1 A 62 62 ASN N N 62 113.588 114.252 -0.664 1
1 794 . 8 1 1 A 63 63 SER H H 63 7.613 8.112 -0.499 1
1 795 . 8 1 1 A 63 63 SER HA H 63 3.962 4.230 -0.268 1
1 798 . 8 1 1 A 63 63 SER C C 63 172.927 174.839 -1.912 1
1 799 . 8 1 1 A 63 63 SER CA C 63 58.262 59.408 -1.146 1
1 800 . 8 1 1 A 63 63 SER CB C 63 60.708 62.549 -1.841 1
1 801 . 8 1 1 A 63 63 SER N N 63 111.592 114.440 -2.848 1
1 802 . 8 1 1 A 64 64 ASP H H 64 8.217 7.960 0.257 1
1 803 . 8 1 1 A 64 64 ASP HA H 64 4.653 4.543 0.110 1
1 806 . 8 1 1 A 64 64 ASP C C 64 175.927 176.840 -0.913 1
1 807 . 8 1 1 A 64 64 ASP CA C 64 51.641 53.404 -1.763 1
1 808 . 8 1 1 A 64 64 ASP CB C 64 39.385 40.653 -1.268 1
1 809 . 8 1 1 A 64 64 ASP N N 64 118.913 120.596 -1.683 1
1 810 . 8 1 1 A 65 65 GLN H H 65 10.239 8.026 2.213 1
1 811 . 8 1 1 A 65 65 GLN HA H 65 3.356 3.875 -0.519 1
1 818 . 8 1 1 A 65 65 GLN C C 65 172.627 174.505 -1.878 1
1 819 . 8 1 1 A 65 65 GLN CA C 65 56.325 57.404 -1.079 1
1 820 . 8 1 1 A 65 65 GLN CB C 65 24.910 27.728 -2.818 1
1 822 . 8 1 1 A 65 65 GLN N N 65 114.908 116.915 -2.007 1
1 824 . 8 1 1 A 66 66 GLU H H 66 7.710 7.953 -0.243 1
1 825 . 8 1 1 A 66 66 GLU HA H 66 4.691 4.986 -0.295 1
1 830 . 8 1 1 A 66 66 GLU C C 66 174.127 175.356 -1.229 1
1 831 . 8 1 1 A 66 66 GLU CA C 66 52.987 54.759 -1.772 1
1 832 . 8 1 1 A 66 66 GLU CB C 66 32.433 32.324 0.109 1
1 834 . 8 1 1 A 66 66 GLU N N 66 115.721 117.709 -1.988 1
1 835 . 8 1 1 A 67 67 ILE H H 67 9.938 9.296 0.642 1
1 836 . 8 1 1 A 67 67 ILE HA H 67 5.291 4.871 0.420 1
1 846 . 8 1 1 A 67 67 ILE C C 67 175.627 175.279 0.348 1
1 847 . 8 1 1 A 67 67 ILE CA C 67 56.241 60.418 -4.177 1
1 848 . 8 1 1 A 67 67 ILE CB C 67 35.492 38.558 -3.066 1
1 852 . 8 1 1 A 67 67 ILE N N 67 125.901 125.416 0.485 1
1 853 . 8 1 1 A 68 68 ASP H H 68 8.794 8.671 0.123 1
1 854 . 8 1 1 A 68 68 ASP HA H 68 5.002 4.816 0.186 1
1 857 . 8 1 1 A 68 68 ASP C C 68 174.427 177.956 -3.529 1
1 858 . 8 1 1 A 68 68 ASP CA C 68 51.563 54.491 -2.928 1
1 859 . 8 1 1 A 68 68 ASP CB C 68 40.493 42.137 -1.644 1
1 860 . 8 1 1 A 68 68 ASP N N 68 127.844 128.210 -0.366 1
1 861 . 8 1 1 A 69 69 PHE H H 69 9.068 8.938 0.130 1
1 862 . 8 1 1 A 69 69 PHE HA H 69 3.130 3.810 -0.680 1
1 869 . 8 1 1 A 69 69 PHE C C 69 176.827 177.495 -0.668 1
1 870 . 8 1 1 A 69 69 PHE CA C 69 62.478 62.050 0.428 1
1 871 . 8 1 1 A 69 69 PHE CB C 69 38.096 39.886 -1.790 1
1 872 . 8 1 1 A 69 69 PHE N N 69 118.955 123.175 -4.220 1
1 873 . 8 1 1 A 70 70 LYS H H 70 8.123 8.110 0.013 1
1 874 . 8 1 1 A 70 70 LYS HA H 70 3.871 4.409 -0.538 1
1 883 . 8 1 1 A 70 70 LYS C C 70 179.527 179.579 -0.052 1
1 884 . 8 1 1 A 70 70 LYS CA C 70 59.457 58.815 0.642 1
1 885 . 8 1 1 A 70 70 LYS CB C 70 30.772 32.370 -1.598 1
1 889 . 8 1 1 A 70 70 LYS N N 70 120.287 117.576 2.711 1
1 890 . 8 1 1 A 71 71 GLU H H 71 8.746 8.024 0.722 1
1 891 . 8 1 1 A 71 71 GLU HA H 71 4.099 4.133 -0.034 1
1 896 . 8 1 1 A 71 71 GLU C C 71 179.127 178.975 0.152 1
1 897 . 8 1 1 A 71 71 GLU CA C 71 57.934 58.894 -0.960 1
1 898 . 8 1 1 A 71 71 GLU CB C 71 29.266 30.073 -0.807 1
1 900 . 8 1 1 A 71 71 GLU N N 71 122.207 118.722 3.485 1
1 901 . 8 1 1 A 72 72 TYR H H 72 8.879 8.597 0.282 1
1 902 . 8 1 1 A 72 72 TYR HA H 72 4.010 4.119 -0.109 1
1 909 . 8 1 1 A 72 72 TYR C C 72 175.927 177.820 -1.893 1
1 910 . 8 1 1 A 72 72 TYR CA C 72 58.551 61.591 -3.040 1
1 911 . 8 1 1 A 72 72 TYR CB C 72 38.072 38.813 -0.741 1
1 912 . 8 1 1 A 72 72 TYR N N 72 121.813 122.268 -0.455 1
1 913 . 8 1 1 A 73 73 SER H H 73 8.414 8.220 0.194 1
1 914 . 8 1 1 A 73 73 SER HA H 73 3.462 4.180 -0.718 1
1 917 . 8 1 1 A 73 73 SER C C 73 175.127 175.863 -0.736 1
1 918 . 8 1 1 A 73 73 SER CA C 73 61.876 62.102 -0.226 1
1 919 . 8 1 1 A 73 73 SER CB C 73 61.327 63.104 -1.777 1
1 920 . 8 1 1 A 73 73 SER N N 73 117.840 116.159 1.681 1
1 921 . 8 1 1 A 74 74 VAL H H 74 7.363 8.511 -1.148 1
1 922 . 8 1 1 A 74 74 VAL HA H 74 3.584 3.782 -0.198 1
1 930 . 8 1 1 A 74 74 VAL C C 74 178.027 177.603 0.424 1
1 931 . 8 1 1 A 74 74 VAL CA C 74 65.397 64.768 0.629 1
1 932 . 8 1 1 A 74 74 VAL CB C 74 30.300 31.731 -1.431 1
1 935 . 8 1 1 A 74 74 VAL N N 74 123.439 120.155 3.284 1
1 936 . 8 1 1 A 75 75 PHE H H 75 7.282 8.107 -0.825 1
1 937 . 8 1 1 A 75 75 PHE HA H 75 4.562 4.083 0.479 1
1 945 . 8 1 1 A 75 75 PHE C C 75 176.127 177.095 -0.968 1
1 946 . 8 1 1 A 75 75 PHE CA C 75 57.851 61.194 -3.343 1
1 947 . 8 1 1 A 75 75 PHE CB C 75 36.863 38.968 -2.105 1
1 948 . 8 1 1 A 75 75 PHE N N 75 122.766 123.075 -0.309 1
1 949 . 8 1 1 A 76 76 LEU H H 76 7.823 7.932 -0.109 1
1 950 . 8 1 1 A 76 76 LEU HA H 76 3.445 3.498 -0.053 1
1 960 . 8 1 1 A 76 76 LEU C C 76 178.927 178.969 -0.042 1
1 961 . 8 1 1 A 76 76 LEU CA C 76 56.891 57.974 -1.083 1
1 962 . 8 1 1 A 76 76 LEU CB C 76 39.917 41.474 -1.557 1
1 966 . 8 1 1 A 76 76 LEU N N 76 115.619 119.656 -4.037 1
1 967 . 8 1 1 A 77 77 THR H H 77 7.858 7.567 0.291 1
1 968 . 8 1 1 A 77 77 THR HA H 77 3.665 3.731 -0.066 1
1 974 . 8 1 1 A 77 77 THR C C 77 175.427 175.952 -0.525 1
1 975 . 8 1 1 A 77 77 THR CA C 77 66.127 66.409 -0.282 1
1 976 . 8 1 1 A 77 77 THR CB C 77 67.585 68.503 -0.918 1
1 978 . 8 1 1 A 77 77 THR N N 77 113.417 114.888 -1.471 1
1 979 . 8 1 1 A 78 78 MET H H 78 7.970 8.182 -0.212 1
1 980 . 8 1 1 A 78 78 MET HA H 78 3.935 4.074 -0.139 1
1 988 . 8 1 1 A 78 78 MET C C 78 179.127 178.636 0.491 1
1 989 . 8 1 1 A 78 78 MET CA C 78 58.780 58.297 0.483 1
1 990 . 8 1 1 A 78 78 MET CB C 78 31.501 32.098 -0.597 1
1 993 . 8 1 1 A 78 78 MET N N 78 122.745 119.883 2.862 1
1 994 . 8 1 1 A 79 79 LEU H H 79 7.898 8.352 -0.454 1
1 995 . 8 1 1 A 79 79 LEU HA H 79 3.870 4.022 -0.152 1
1 1005 . 8 1 1 A 79 79 LEU C C 79 178.427 178.483 -0.056 1
1 1006 . 8 1 1 A 79 79 LEU CA C 79 56.843 57.794 -0.951 1
1 1007 . 8 1 1 A 79 79 LEU CB C 79 41.099 41.369 -0.270 1
1 1011 . 8 1 1 A 79 79 LEU N N 79 120.989 120.687 0.302 1
1 1012 . 8 1 1 A 80 80 CYS H H 80 8.400 8.628 -0.228 1
1 1013 . 8 1 1 A 80 80 CYS HA H 80 3.830 4.118 -0.288 1
1 1017 . 8 1 1 A 80 80 CYS C C 80 175.927 177.364 -1.437 1
1 1018 . 8 1 1 A 80 80 CYS CA C 80 64.044 62.921 1.123 1
1 1019 . 8 1 1 A 80 80 CYS CB C 80 25.626 25.875 -0.249 1
1 1020 . 8 1 1 A 80 80 CYS N N 80 117.746 117.483 0.263 1
1 1021 . 8 1 1 A 81 81 MET H H 81 8.295 8.554 -0.259 1
1 1022 . 8 1 1 A 81 81 MET HA H 81 4.023 4.151 -0.128 1
1 1030 . 8 1 1 A 81 81 MET C C 81 177.327 178.239 -0.912 1
1 1031 . 8 1 1 A 81 81 MET CA C 81 57.601 59.012 -1.411 1
1 1032 . 8 1 1 A 81 81 MET CB C 81 30.668 32.993 -2.325 1
1 1035 . 8 1 1 A 81 81 MET N N 81 117.598 119.429 -1.831 1
1 1036 . 8 1 1 A 82 82 ALA H H 82 7.624 8.046 -0.422 1
1 1037 . 8 1 1 A 82 82 ALA HA H 82 4.061 4.078 -0.017 1
1 1041 . 8 1 1 A 82 82 ALA C C 82 179.627 179.419 0.208 1
1 1042 . 8 1 1 A 82 82 ALA CA C 82 53.856 55.395 -1.539 1
1 1043 . 8 1 1 A 82 82 ALA CB C 82 16.794 18.507 -1.713 1
1 1044 . 8 1 1 A 82 82 ALA N N 82 121.886 121.477 0.409 1
1 1045 . 8 1 1 A 83 83 TYR H H 83 8.476 7.980 0.496 1
1 1046 . 8 1 1 A 83 83 TYR HA H 83 4.147 4.351 -0.204 1
1 1053 . 8 1 1 A 83 83 TYR C C 83 178.127 178.358 -0.231 1
1 1054 . 8 1 1 A 83 83 TYR CA C 83 60.066 61.612 -1.546 1
1 1055 . 8 1 1 A 83 83 TYR CB C 83 36.546 37.448 -0.902 1
1 1056 . 8 1 1 A 83 83 TYR N N 83 119.136 116.686 2.450 1
1 1057 . 8 1 1 A 84 84 ASN H H 84 8.386 8.138 0.248 1
1 1058 . 8 1 1 A 84 84 ASN HA H 84 4.221 4.489 -0.268 1
1 1063 . 8 1 1 A 84 84 ASN C C 84 175.427 177.330 -1.903 1
1 1064 . 8 1 1 A 84 84 ASN CA C 84 56.123 56.984 -0.861 1
1 1065 . 8 1 1 A 84 84 ASN CB C 84 37.387 38.642 -1.255 1
1 1066 . 8 1 1 A 84 84 ASN N N 84 120.692 119.433 1.259 1
1 1068 . 8 1 1 A 85 85 ASP H H 85 7.611 7.569 0.042 1
1 1069 . 8 1 1 A 85 85 ASP HA H 85 4.234 4.446 -0.212 1
1 1072 . 8 1 1 A 85 85 ASP C C 85 178.227 178.631 -0.404 1
1 1073 . 8 1 1 A 85 85 ASP CA C 85 56.752 57.283 -0.531 1
1 1074 . 8 1 1 A 85 85 ASP CB C 85 38.688 40.760 -2.072 1
1 1075 . 8 1 1 A 85 85 ASP N N 85 118.378 119.854 -1.476 1
1 1076 . 8 1 1 A 86 86 PHE H H 86 7.538 8.233 -0.695 1
1 1077 . 8 1 1 A 86 86 PHE HA H 86 4.291 4.219 0.072 1
1 1084 . 8 1 1 A 86 86 PHE C C 86 176.627 177.612 -0.985 1
1 1085 . 8 1 1 A 86 86 PHE CA C 86 58.743 61.340 -2.597 1
1 1086 . 8 1 1 A 86 86 PHE CB C 86 37.488 38.633 -1.145 1
1 1087 . 8 1 1 A 86 86 PHE N N 86 118.712 120.976 -2.264 1
1 1088 . 8 1 1 A 87 87 PHE H H 87 8.132 8.335 -0.203 1
1 1089 . 8 1 1 A 87 87 PHE HA H 87 3.906 4.156 -0.250 1
1 1096 . 8 1 1 A 87 87 PHE C C 87 176.627 177.103 -0.476 1
1 1097 . 8 1 1 A 87 87 PHE CA C 87 59.554 61.279 -1.725 1
1 1098 . 8 1 1 A 87 87 PHE CB C 87 38.017 39.558 -1.541 1
1 1099 . 8 1 1 A 87 87 PHE N N 87 121.649 119.838 1.811 1
1 1100 . 8 1 1 A 88 88 LEU H H 88 7.953 7.720 0.233 1
1 1101 . 8 1 1 A 88 88 LEU HA H 88 3.775 4.007 -0.232 1
1 1111 . 8 1 1 A 88 88 LEU C C 88 177.627 178.070 -0.443 1
1 1112 . 8 1 1 A 88 88 LEU CA C 88 55.078 56.866 -1.788 1
1 1113 . 8 1 1 A 88 88 LEU CB C 88 41.226 41.737 -0.511 1
1 1117 . 8 1 1 A 88 88 LEU N N 88 118.897 118.814 0.083 1
1 1118 . 8 1 1 A 89 89 GLU H H 89 7.475 7.860 -0.385 1
1 1119 . 8 1 1 A 89 89 GLU HA H 89 3.914 4.144 -0.230 1
1 1124 . 8 1 1 A 89 89 GLU C C 89 176.127 177.948 -1.821 1
1 1125 . 8 1 1 A 89 89 GLU CA C 89 56.926 57.829 -0.903 1
1 1126 . 8 1 1 A 89 89 GLU CB C 89 28.567 29.811 -1.244 1
1 1128 . 8 1 1 A 89 89 GLU N N 89 119.332 119.555 -0.223 1
1 1129 . 8 1 1 A 90 90 ASP H H 90 7.750 7.749 0.001 1
1 1130 . 8 1 1 A 90 90 ASP HA H 90 4.370 4.460 -0.090 1
1 1133 . 8 1 1 A 90 90 ASP C C 90 175.227 177.223 -1.996 1
1 1134 . 8 1 1 A 90 90 ASP CA C 90 53.593 56.776 -3.183 1
1 1135 . 8 1 1 A 90 90 ASP CB C 90 40.323 41.138 -0.815 1
1 1136 . 8 1 1 A 90 90 ASP N N 90 118.945 120.497 -1.552 1
1 1137 . 8 1 1 A 91 91 ASN H H 91 7.681 7.126 0.555 1
1 1138 . 8 1 1 A 91 91 ASN HA H 91 4.495 4.851 -0.356 1
1 1143 . 8 1 1 A 91 91 ASN C C 91 173.027 174.576 -1.549 1
1 1144 . 8 1 1 A 91 91 ASN CA C 91 52.041 52.354 -0.313 1
1 1145 . 8 1 1 A 91 91 ASN CB C 91 38.072 36.515 1.557 1
1 1146 . 8 1 1 A 91 91 ASN N N 91 118.171 115.161 3.010 1
1 10 . 9 1 1 A 2 2 GLU H H 2 8.776 8.911 -0.135 1
1 11 . 9 1 1 A 2 2 GLU HA H 2 4.535 4.952 -0.417 1
1 16 . 9 1 1 A 2 2 GLU C C 2 175.627 176.542 -0.915 1
1 17 . 9 1 1 A 2 2 GLU CA C 2 55.573 54.260 1.313 1
1 18 . 9 1 1 A 2 2 GLU CB C 2 30.569 33.474 -2.905 1
1 20 . 9 1 1 A 2 2 GLU N N 2 124.305 122.754 1.551 1
1 21 . 9 1 1 A 3 3 THR H H 3 8.835 9.124 -0.289 1
1 22 . 9 1 1 A 3 3 THR HA H 3 4.608 4.551 0.057 1
1 27 . 9 1 1 A 3 3 THR CA C 3 59.187 60.632 -1.445 1
1 28 . 9 1 1 A 3 3 THR CB C 3 67.385 68.644 -1.259 1
1 30 . 9 1 1 A 3 3 THR N N 3 116.176 116.188 -0.012 1
1 31 . 9 1 1 A 4 4 PRO HA H 4 4.158 4.456 -0.298 1
1 38 . 9 1 1 A 4 4 PRO C C 4 179.327 177.928 1.399 1
1 39 . 9 1 1 A 4 4 PRO CA C 4 65.040 64.834 0.206 1
1 40 . 9 1 1 A 4 4 PRO CB C 4 30.616 31.776 -1.160 1
1 43 . 9 1 1 A 5 5 LEU H H 5 8.794 7.613 1.181 1
1 44 . 9 1 1 A 5 5 LEU HA H 5 3.944 4.030 -0.086 1
1 54 . 9 1 1 A 5 5 LEU C C 5 177.327 178.243 -0.916 1
1 55 . 9 1 1 A 5 5 LEU CA C 5 56.920 57.249 -0.329 1
1 56 . 9 1 1 A 5 5 LEU CB C 5 41.139 41.909 -0.770 1
1 60 . 9 1 1 A 5 5 LEU N N 5 118.892 118.382 0.510 1
1 61 . 9 1 1 A 6 6 GLU H H 6 7.664 8.238 -0.574 1
1 62 . 9 1 1 A 6 6 GLU HA H 6 3.744 3.933 -0.189 1
1 67 . 9 1 1 A 6 6 GLU C C 6 178.827 179.594 -0.767 1
1 68 . 9 1 1 A 6 6 GLU CA C 6 59.347 59.613 -0.266 1
1 69 . 9 1 1 A 6 6 GLU CB C 6 28.700 29.344 -0.644 1
1 71 . 9 1 1 A 6 6 GLU N N 6 118.741 118.805 -0.064 1
1 72 . 9 1 1 A 7 7 LYS H H 7 8.435 8.141 0.294 1
1 73 . 9 1 1 A 7 7 LYS HA H 7 3.909 4.042 -0.133 1
1 82 . 9 1 1 A 7 7 LYS C C 7 178.527 179.031 -0.504 1
1 83 . 9 1 1 A 7 7 LYS CA C 7 58.539 59.339 -0.800 1
1 84 . 9 1 1 A 7 7 LYS CB C 7 31.217 32.095 -0.878 1
1 88 . 9 1 1 A 7 7 LYS N N 7 119.285 119.198 0.087 1
1 89 . 9 1 1 A 8 8 ALA H H 8 8.008 7.973 0.035 1
1 90 . 9 1 1 A 8 8 ALA HA H 8 4.038 4.025 0.013 1
1 94 . 9 1 1 A 8 8 ALA C C 8 178.327 179.761 -1.434 1
1 95 . 9 1 1 A 8 8 ALA CA C 8 54.356 55.051 -0.695 1
1 96 . 9 1 1 A 8 8 ALA CB C 8 17.509 18.572 -1.063 1
1 97 . 9 1 1 A 8 8 ALA N N 8 123.866 122.583 1.283 1
1 98 . 9 1 1 A 9 9 LEU H H 9 8.163 8.424 -0.261 1
1 99 . 9 1 1 A 9 9 LEU HA H 9 3.809 3.957 -0.148 1
1 109 . 9 1 1 A 9 9 LEU C C 9 178.527 179.292 -0.765 1
1 110 . 9 1 1 A 9 9 LEU CA C 9 57.256 57.963 -0.707 1
1 111 . 9 1 1 A 9 9 LEU CB C 9 40.483 42.027 -1.544 1
1 115 . 9 1 1 A 9 9 LEU N N 9 119.134 118.521 0.613 1
1 116 . 9 1 1 A 10 10 THR H H 10 8.186 8.134 0.052 1
1 117 . 9 1 1 A 10 10 THR HA H 10 3.741 3.941 -0.200 1
1 122 . 9 1 1 A 10 10 THR C C 10 176.727 176.827 -0.100 1
1 123 . 9 1 1 A 10 10 THR CA C 10 66.345 66.576 -0.231 1
1 124 . 9 1 1 A 10 10 THR CB C 10 67.558 68.787 -1.229 1
1 126 . 9 1 1 A 10 10 THR N N 10 114.355 115.591 -1.236 1
1 127 . 9 1 1 A 11 11 THR H H 11 8.387 8.304 0.083 1
1 128 . 9 1 1 A 11 11 THR HA H 11 3.963 3.970 -0.007 1
1 133 . 9 1 1 A 11 11 THR C C 11 176.827 176.053 0.774 1
1 134 . 9 1 1 A 11 11 THR CA C 11 65.801 66.414 -0.613 1
1 135 . 9 1 1 A 11 11 THR CB C 11 67.140 68.424 -1.284 1
1 137 . 9 1 1 A 11 11 THR N N 11 120.801 116.174 4.627 1
1 138 . 9 1 1 A 12 12 MET H H 12 8.299 8.266 0.033 1
1 139 . 9 1 1 A 12 12 MET HA H 12 3.872 4.358 -0.486 1
1 147 . 9 1 1 A 12 12 MET C C 12 177.827 178.387 -0.560 1
1 148 . 9 1 1 A 12 12 MET CA C 12 59.263 58.313 0.950 1
1 149 . 9 1 1 A 12 12 MET CB C 12 31.845 32.357 -0.512 1
1 152 . 9 1 1 A 12 12 MET N N 12 124.102 120.038 4.064 1
1 153 . 9 1 1 A 13 13 VAL H H 13 7.820 8.609 -0.789 1
1 154 . 9 1 1 A 13 13 VAL HA H 13 3.937 4.096 -0.159 1
1 162 . 9 1 1 A 13 13 VAL C C 13 177.127 177.577 -0.450 1
1 163 . 9 1 1 A 13 13 VAL CA C 13 65.677 65.492 0.185 1
1 164 . 9 1 1 A 13 13 VAL CB C 13 31.656 31.488 0.168 1
1 167 . 9 1 1 A 13 13 VAL N N 13 119.838 119.191 0.647 1
1 168 . 9 1 1 A 14 14 THR H H 14 9.107 8.313 0.794 1
1 169 . 9 1 1 A 14 14 THR HA H 14 3.654 4.021 -0.367 1
1 174 . 9 1 1 A 14 14 THR C C 14 177.527 176.838 0.689 1
1 175 . 9 1 1 A 14 14 THR CA C 14 65.273 66.246 -0.973 1
1 176 . 9 1 1 A 14 14 THR CB C 14 67.652 68.865 -1.213 1
1 178 . 9 1 1 A 14 14 THR N N 14 112.247 116.823 -4.576 1
1 179 . 9 1 1 A 15 15 THR H H 15 8.189 8.154 0.035 1
1 180 . 9 1 1 A 15 15 THR HA H 15 3.864 4.260 -0.396 1
1 186 . 9 1 1 A 15 15 THR C C 15 173.627 176.875 -3.248 1
1 187 . 9 1 1 A 15 15 THR CA C 15 66.930 65.874 1.056 1
1 188 . 9 1 1 A 15 15 THR CB C 15 66.539 68.303 -1.764 1
1 190 . 9 1 1 A 15 15 THR N N 15 117.691 112.323 5.368 1
1 191 . 9 1 1 A 16 16 PHE H H 16 6.850 8.025 -1.175 1
1 192 . 9 1 1 A 16 16 PHE HA H 16 3.417 4.168 -0.751 1
1 199 . 9 1 1 A 16 16 PHE C C 16 175.627 177.227 -1.600 1
1 200 . 9 1 1 A 16 16 PHE CA C 16 61.577 61.461 0.116 1
1 201 . 9 1 1 A 16 16 PHE CB C 16 38.177 39.293 -1.116 1
1 202 . 9 1 1 A 16 16 PHE N N 16 120.169 124.262 -4.093 1
1 203 . 9 1 1 A 17 17 HIS H H 17 6.924 8.762 -1.838 1
1 204 . 9 1 1 A 17 17 HIS HA H 17 4.755 4.126 0.629 1
1 207 . 9 1 1 A 17 17 HIS C C 17 176.227 176.680 -0.453 1
1 208 . 9 1 1 A 17 17 HIS CA C 17 56.810 59.988 -3.178 1
1 209 . 9 1 1 A 17 17 HIS CB C 17 29.597 29.872 -0.275 1
1 210 . 9 1 1 A 17 17 HIS N N 17 115.499 118.779 -3.280 1
1 211 . 9 1 1 A 18 18 LYS H H 18 7.888 8.434 -0.546 1
1 212 . 9 1 1 A 18 18 LYS HA H 18 3.870 3.895 -0.025 1
1 221 . 9 1 1 A 18 18 LYS C C 18 176.927 178.538 -1.611 1
1 222 . 9 1 1 A 18 18 LYS CA C 18 57.897 59.248 -1.351 1
1 223 . 9 1 1 A 18 18 LYS CB C 18 31.582 32.266 -0.684 1
1 227 . 9 1 1 A 18 18 LYS N N 18 121.217 119.124 2.093 1
1 228 . 9 1 1 A 19 19 TYR H H 19 6.928 8.273 -1.345 1
1 229 . 9 1 1 A 19 19 TYR HA H 19 4.163 4.138 0.025 1
1 234 . 9 1 1 A 19 19 TYR C C 19 175.027 177.649 -2.622 1
1 235 . 9 1 1 A 19 19 TYR CA C 19 59.335 61.047 -1.712 1
1 236 . 9 1 1 A 19 19 TYR CB C 19 39.515 37.235 2.280 1
1 237 . 9 1 1 A 19 19 TYR N N 19 114.488 118.649 -4.161 1
1 238 . 9 1 1 A 20 20 SER H H 20 8.021 8.316 -0.295 1
1 239 . 9 1 1 A 20 20 SER HA H 20 3.105 3.902 -0.797 1
1 242 . 9 1 1 A 20 20 SER C C 20 176.527 175.641 0.886 1
1 243 . 9 1 1 A 20 20 SER CA C 20 60.457 60.749 -0.292 1
1 244 . 9 1 1 A 20 20 SER CB C 20 60.326 62.813 -2.487 1
1 245 . 9 1 1 A 20 20 SER N N 20 112.624 115.715 -3.091 1
1 246 . 9 1 1 A 21 21 GLY H H 21 7.908 7.909 -0.001 1
1 247 . 9 1 1 A 21 21 GLY HA2 H 21 4.197 3.896 0.301 1
1 248 . 9 1 1 A 21 21 GLY HA3 H 21 3.761 3.988 -0.227 1
1 249 . 9 1 1 A 21 21 GLY C C 21 173.027 174.882 -1.855 1
1 250 . 9 1 1 A 21 21 GLY CA C 21 44.357 45.395 -1.038 1
1 251 . 9 1 1 A 21 21 GLY N N 21 112.095 107.118 4.977 1
1 252 . 9 1 1 A 22 22 ARG H H 22 7.470 7.427 0.043 1
1 253 . 9 1 1 A 22 22 ARG HA H 22 3.956 4.006 -0.050 1
1 260 . 9 1 1 A 22 22 ARG C C 22 176.327 176.660 -0.333 1
1 261 . 9 1 1 A 22 22 ARG CA C 22 58.189 58.946 -0.757 1
1 262 . 9 1 1 A 22 22 ARG CB C 22 29.483 30.823 -1.340 1
1 265 . 9 1 1 A 22 22 ARG N N 22 122.481 120.236 2.245 1
1 266 . 9 1 1 A 23 23 GLU H H 23 9.412 8.149 1.263 1
1 267 . 9 1 1 A 23 23 GLU HA H 23 4.626 4.496 0.130 1
1 272 . 9 1 1 A 23 23 GLU C C 23 175.027 176.398 -1.371 1
1 273 . 9 1 1 A 23 23 GLU CA C 23 53.319 55.228 -1.909 1
1 274 . 9 1 1 A 23 23 GLU CB C 23 32.032 33.179 -1.147 1
1 276 . 9 1 1 A 23 23 GLU N N 23 116.123 117.026 -0.903 1
1 277 . 9 1 1 A 24 24 GLY H H 24 9.080 8.591 0.489 1
1 278 . 9 1 1 A 24 24 GLY HA2 H 24 3.694 3.869 -0.175 1
1 279 . 9 1 1 A 24 24 GLY HA3 H 24 3.878 3.891 -0.013 1
1 280 . 9 1 1 A 24 24 GLY C C 24 172.827 173.898 -1.071 1
1 281 . 9 1 1 A 24 24 GLY CA C 24 44.707 46.871 -2.164 1
1 282 . 9 1 1 A 24 24 GLY N N 24 114.015 110.549 3.466 1
1 283 . 9 1 1 A 25 25 SER H H 25 8.465 8.835 -0.370 1
1 284 . 9 1 1 A 25 25 SER HA H 25 4.312 4.212 0.100 1
1 287 . 9 1 1 A 25 25 SER C C 25 178.027 174.703 3.324 1
1 288 . 9 1 1 A 25 25 SER CA C 25 57.478 59.617 -2.139 1
1 289 . 9 1 1 A 25 25 SER CB C 25 61.941 63.666 -1.725 1
1 290 . 9 1 1 A 25 25 SER N N 25 117.299 120.320 -3.021 1
1 291 . 9 1 1 A 26 26 LYS H H 26 9.532 8.803 0.729 1
1 292 . 9 1 1 A 26 26 LYS HA H 26 4.660 4.327 0.333 1
1 301 . 9 1 1 A 26 26 LYS C C 26 176.127 178.219 -2.092 1
1 302 . 9 1 1 A 26 26 LYS CA C 26 56.928 58.050 -1.122 1
1 303 . 9 1 1 A 26 26 LYS CB C 26 30.526 32.635 -2.109 1
1 307 . 9 1 1 A 26 26 LYS N N 26 131.209 125.173 6.036 1
1 308 . 9 1 1 A 27 27 LEU H H 27 8.643 7.622 1.021 1
1 309 . 9 1 1 A 27 27 LEU HA H 27 4.583 4.225 0.358 1
1 319 . 9 1 1 A 27 27 LEU C C 27 174.827 176.918 -2.091 1
1 320 . 9 1 1 A 27 27 LEU CA C 27 53.205 55.933 -2.728 1
1 321 . 9 1 1 A 27 27 LEU CB C 27 41.824 43.375 -1.551 1
1 325 . 9 1 1 A 27 27 LEU N N 27 118.729 118.855 -0.126 1
1 326 . 9 1 1 A 28 28 THR H H 28 7.037 7.750 -0.713 1
1 327 . 9 1 1 A 28 28 THR HA H 28 5.168 4.800 0.368 1
1 332 . 9 1 1 A 28 28 THR C C 28 172.727 173.239 -0.512 1
1 333 . 9 1 1 A 28 28 THR CA C 28 57.915 59.611 -1.696 1
1 334 . 9 1 1 A 28 28 THR CB C 28 71.934 71.912 0.022 1
1 336 . 9 1 1 A 28 28 THR N N 28 104.663 108.169 -3.506 1
1 337 . 9 1 1 A 29 29 LEU H H 29 9.517 8.354 1.163 1
1 338 . 9 1 1 A 29 29 LEU HA H 29 5.196 4.695 0.501 1
1 348 . 9 1 1 A 29 29 LEU C C 29 175.527 175.773 -0.246 1
1 349 . 9 1 1 A 29 29 LEU CA C 29 51.653 53.512 -1.859 1
1 350 . 9 1 1 A 29 29 LEU CB C 29 42.301 42.500 -0.199 1
1 354 . 9 1 1 A 29 29 LEU N N 29 125.388 122.789 2.599 1
1 355 . 9 1 1 A 30 30 SER H H 30 10.053 9.020 1.033 1
1 356 . 9 1 1 A 30 30 SER HA H 30 4.475 4.687 -0.212 1
1 359 . 9 1 1 A 30 30 SER C C 30 173.427 175.028 -1.601 1
1 360 . 9 1 1 A 30 30 SER CA C 30 55.011 57.377 -2.366 1
1 361 . 9 1 1 A 30 30 SER CB C 30 64.446 64.568 -0.122 1
1 362 . 9 1 1 A 30 30 SER N N 30 121.114 119.922 1.192 1
1 363 . 9 1 1 A 31 31 ARG H H 31 8.992 8.942 0.050 1
1 364 . 9 1 1 A 31 31 ARG HA H 31 3.923 4.054 -0.131 1
1 371 . 9 1 1 A 31 31 ARG C C 31 177.027 177.120 -0.093 1
1 372 . 9 1 1 A 31 31 ARG CA C 31 59.408 59.156 0.252 1
1 373 . 9 1 1 A 31 31 ARG CB C 31 29.041 30.089 -1.048 1
1 376 . 9 1 1 A 31 31 ARG N N 31 120.513 126.369 -5.856 1
1 377 . 9 1 1 A 32 32 LYS H H 32 7.845 7.824 0.021 1
1 378 . 9 1 1 A 32 32 LYS HA H 32 3.826 4.059 -0.233 1
1 387 . 9 1 1 A 32 32 LYS C C 32 178.927 178.938 -0.011 1
1 388 . 9 1 1 A 32 32 LYS CA C 32 58.677 59.290 -0.613 1
1 389 . 9 1 1 A 32 32 LYS CB C 32 31.964 32.154 -0.190 1
1 393 . 9 1 1 A 32 32 LYS N N 32 117.011 119.423 -2.412 1
1 394 . 9 1 1 A 33 33 GLU H H 33 7.612 7.953 -0.341 1
1 395 . 9 1 1 A 33 33 GLU HA H 33 3.954 4.015 -0.061 1
1 400 . 9 1 1 A 33 33 GLU C C 33 177.227 179.166 -1.939 1
1 401 . 9 1 1 A 33 33 GLU CA C 33 58.289 59.116 -0.827 1
1 402 . 9 1 1 A 33 33 GLU CB C 33 29.757 29.218 0.539 1
1 404 . 9 1 1 A 33 33 GLU N N 33 120.815 119.207 1.608 1
1 405 . 9 1 1 A 34 34 LEU H H 34 8.694 8.216 0.478 1
1 406 . 9 1 1 A 34 34 LEU HA H 34 3.811 3.928 -0.117 1
1 416 . 9 1 1 A 34 34 LEU C C 34 176.927 178.275 -1.348 1
1 417 . 9 1 1 A 34 34 LEU CA C 34 57.025 57.813 -0.788 1
1 418 . 9 1 1 A 34 34 LEU CB C 34 40.638 41.704 -1.066 1
1 422 . 9 1 1 A 34 34 LEU N N 34 119.291 121.208 -1.917 1
1 423 . 9 1 1 A 35 35 LYS H H 35 8.114 7.781 0.333 1
1 424 . 9 1 1 A 35 35 LYS HA H 35 3.569 3.983 -0.414 1
1 433 . 9 1 1 A 35 35 LYS C C 35 177.027 179.075 -2.048 1
1 434 . 9 1 1 A 35 35 LYS CA C 35 59.419 59.086 0.333 1
1 435 . 9 1 1 A 35 35 LYS CB C 35 31.271 31.937 -0.666 1
1 439 . 9 1 1 A 35 35 LYS N N 35 117.277 117.597 -0.320 1
1 440 . 9 1 1 A 36 36 GLU H H 36 7.560 8.138 -0.578 1
1 441 . 9 1 1 A 36 36 GLU HA H 36 3.845 4.078 -0.233 1
1 446 . 9 1 1 A 36 36 GLU C C 36 175.827 178.408 -2.581 1
1 447 . 9 1 1 A 36 36 GLU CA C 36 58.190 59.049 -0.859 1
1 448 . 9 1 1 A 36 36 GLU CB C 36 28.253 29.513 -1.260 1
1 450 . 9 1 1 A 36 36 GLU N N 36 119.302 119.436 -0.134 1
1 451 . 9 1 1 A 37 37 LEU H H 37 7.682 8.204 -0.522 1
1 452 . 9 1 1 A 37 37 LEU HA H 37 2.280 2.954 -0.674 1
1 462 . 9 1 1 A 37 37 LEU C C 37 178.327 178.088 0.239 1
1 463 . 9 1 1 A 37 37 LEU CA C 37 58.225 58.124 0.101 1
1 464 . 9 1 1 A 37 37 LEU CB C 37 41.090 41.453 -0.363 1
1 468 . 9 1 1 A 37 37 LEU N N 37 121.690 120.395 1.295 1
1 469 . 9 1 1 A 38 38 ILE H H 38 8.157 8.032 0.125 1
1 470 . 9 1 1 A 38 38 ILE HA H 38 3.292 3.569 -0.277 1
1 480 . 9 1 1 A 38 38 ILE C C 38 177.027 177.679 -0.652 1
1 481 . 9 1 1 A 38 38 ILE CA C 38 65.007 65.685 -0.678 1
1 482 . 9 1 1 A 38 38 ILE CB C 38 37.187 37.810 -0.623 1
1 486 . 9 1 1 A 38 38 ILE N N 38 117.626 119.323 -1.697 1
1 487 . 9 1 1 A 39 39 LYS H H 39 8.068 8.040 0.028 1
1 488 . 9 1 1 A 39 39 LYS HA H 39 3.876 4.003 -0.127 1
1 497 . 9 1 1 A 39 39 LYS C C 39 177.927 178.215 -0.288 1
1 498 . 9 1 1 A 39 39 LYS CA C 39 58.204 59.527 -1.323 1
1 499 . 9 1 1 A 39 39 LYS CB C 39 31.731 32.207 -0.476 1
1 503 . 9 1 1 A 39 39 LYS N N 39 117.909 118.864 -0.955 1
1 504 . 9 1 1 A 40 40 LYS H H 40 8.094 7.814 0.280 1
1 505 . 9 1 1 A 40 40 LYS HA H 40 4.248 4.355 -0.107 1
1 514 . 9 1 1 A 40 40 LYS C C 40 178.227 178.766 -0.539 1
1 515 . 9 1 1 A 40 40 LYS CA C 40 56.291 57.504 -1.213 1
1 516 . 9 1 1 A 40 40 LYS CB C 40 32.652 33.166 -0.514 1
1 520 . 9 1 1 A 40 40 LYS N N 40 114.323 117.990 -3.667 1
1 521 . 9 1 1 A 41 41 GLU H H 41 8.381 8.012 0.369 1
1 522 . 9 1 1 A 41 41 GLU HA H 41 4.744 4.323 0.421 1
1 527 . 9 1 1 A 41 41 GLU C C 41 176.227 178.017 -1.790 1
1 528 . 9 1 1 A 41 41 GLU CA C 41 55.054 58.686 -3.632 1
1 529 . 9 1 1 A 41 41 GLU CB C 41 29.598 30.377 -0.779 1
1 531 . 9 1 1 A 41 41 GLU N N 41 113.079 118.891 -5.812 1
1 532 . 9 1 1 A 42 42 LEU H H 42 7.544 7.924 -0.380 1
1 533 . 9 1 1 A 42 42 LEU HA H 42 4.754 4.599 0.155 1
1 542 . 9 1 1 A 42 42 LEU CA C 42 52.564 54.085 -1.521 1
1 543 . 9 1 1 A 42 42 LEU CB C 42 43.848 40.150 3.698 1
1 546 . 9 1 1 A 42 42 LEU N N 42 118.458 119.913 -1.455 1
1 547 . 9 1 1 A 43 43 CYS H H 43 8.342 8.076 0.266 1
1 548 . 9 1 1 A 43 43 CYS HA H 43 4.486 4.591 -0.105 1
1 551 . 9 1 1 A 43 43 CYS C C 43 174.327 175.244 -0.917 1
1 552 . 9 1 1 A 43 43 CYS CA C 43 57.655 59.049 -1.394 1
1 553 . 9 1 1 A 43 43 CYS CB C 43 25.653 26.886 -1.233 1
1 554 . 9 1 1 A 44 44 LEU H H 44 8.123 7.796 0.327 1
1 555 . 9 1 1 A 44 44 LEU HA H 44 4.339 4.373 -0.034 1
1 565 . 9 1 1 A 44 44 LEU C C 44 176.927 177.482 -0.555 1
1 566 . 9 1 1 A 44 44 LEU CA C 44 53.750 54.602 -0.852 1
1 567 . 9 1 1 A 44 44 LEU CB C 44 40.784 42.613 -1.829 1
1 571 . 9 1 1 A 44 44 LEU N N 44 121.974 120.689 1.285 1
1 572 . 9 1 1 A 45 45 GLY H H 45 8.072 8.016 0.056 1
1 573 . 9 1 1 A 45 45 GLY HA2 H 45 3.889 3.899 -0.010 1
1 574 . 9 1 1 A 45 45 GLY HA3 H 45 3.698 3.922 -0.224 1
1 575 . 9 1 1 A 45 45 GLY C C 45 173.127 173.740 -0.613 1
1 576 . 9 1 1 A 45 45 GLY CA C 45 44.291 45.411 -1.120 1
1 577 . 9 1 1 A 45 45 GLY N N 45 107.819 109.361 -1.542 1
1 578 . 9 1 1 A 46 46 GLU H H 46 8.472 7.889 0.583 1
1 579 . 9 1 1 A 46 46 GLU HA H 46 4.048 4.615 -0.567 1
1 584 . 9 1 1 A 46 46 GLU C C 46 175.727 176.703 -0.976 1
1 585 . 9 1 1 A 46 46 GLU CA C 46 56.461 54.851 1.610 1
1 586 . 9 1 1 A 46 46 GLU CB C 46 28.208 31.776 -3.568 1
1 588 . 9 1 1 A 46 46 GLU N N 46 120.563 121.083 -0.520 1
1 589 . 9 1 1 A 47 47 MET H H 47 8.189 8.699 -0.510 1
1 590 . 9 1 1 A 47 47 MET HA H 47 4.413 4.072 0.341 1
1 598 . 9 1 1 A 47 47 MET C C 47 175.027 175.451 -0.424 1
1 599 . 9 1 1 A 47 47 MET CA C 47 53.905 56.664 -2.759 1
1 600 . 9 1 1 A 47 47 MET CB C 47 32.611 31.093 1.518 1
1 603 . 9 1 1 A 47 47 MET N N 47 123.201 117.768 5.433 1
1 604 . 9 1 1 A 48 48 LYS H H 48 8.355 8.013 0.342 1
1 605 . 9 1 1 A 48 48 LYS HA H 48 4.237 4.276 -0.039 1
1 614 . 9 1 1 A 48 48 LYS C C 48 177.027 178.099 -1.072 1
1 615 . 9 1 1 A 48 48 LYS CA C 48 55.443 56.026 -0.583 1
1 616 . 9 1 1 A 48 48 LYS CB C 48 32.173 33.077 -0.904 1
1 620 . 9 1 1 A 48 48 LYS N N 48 123.046 119.135 3.911 1
1 621 . 9 1 1 A 49 49 GLU H H 49 8.742 8.726 0.016 1
1 622 . 9 1 1 A 49 49 GLU HA H 49 3.884 3.971 -0.087 1
1 627 . 9 1 1 A 49 49 GLU C C 49 177.727 178.341 -0.614 1
1 628 . 9 1 1 A 49 49 GLU CA C 49 58.534 59.818 -1.284 1
1 629 . 9 1 1 A 49 49 GLU CB C 49 27.870 29.321 -1.451 1
1 631 . 9 1 1 A 49 49 GLU N N 49 122.407 122.979 -0.572 1
1 632 . 9 1 1 A 50 50 SER H H 50 8.324 8.351 -0.027 1
1 633 . 9 1 1 A 50 50 SER HA H 50 4.188 4.249 -0.061 1
1 636 . 9 1 1 A 50 50 SER C C 50 175.427 176.757 -1.330 1
1 637 . 9 1 1 A 50 50 SER CA C 50 59.402 61.169 -1.767 1
1 638 . 9 1 1 A 50 50 SER CB C 50 61.442 62.534 -1.092 1
1 639 . 9 1 1 A 50 50 SER N N 50 112.475 115.512 -3.037 1
1 640 . 9 1 1 A 51 51 SER H H 51 7.400 8.340 -0.940 1
1 641 . 9 1 1 A 51 51 SER HA H 51 3.926 4.169 -0.243 1
1 644 . 9 1 1 A 51 51 SER C C 51 176.027 176.899 -0.872 1
1 645 . 9 1 1 A 51 51 SER CA C 51 59.762 61.221 -1.459 1
1 646 . 9 1 1 A 51 51 SER CB C 51 60.955 63.127 -2.172 1
1 647 . 9 1 1 A 51 51 SER N N 51 118.432 117.134 1.298 1
1 648 . 9 1 1 A 52 52 ILE H H 52 7.790 7.393 0.397 1
1 649 . 9 1 1 A 52 52 ILE HA H 52 3.642 3.761 -0.119 1
1 659 . 9 1 1 A 52 52 ILE C C 52 176.427 177.876 -1.449 1
1 660 . 9 1 1 A 52 52 ILE CA C 52 61.984 64.268 -2.284 1
1 661 . 9 1 1 A 52 52 ILE CB C 52 34.990 36.961 -1.971 1
1 665 . 9 1 1 A 52 52 ILE N N 52 123.838 121.675 2.163 1
1 666 . 9 1 1 A 53 53 ASP H H 53 8.092 8.028 0.064 1
1 667 . 9 1 1 A 53 53 ASP HA H 53 4.225 4.435 -0.210 1
1 670 . 9 1 1 A 53 53 ASP C C 53 178.227 178.260 -0.033 1
1 671 . 9 1 1 A 53 53 ASP CA C 53 56.606 56.433 0.173 1
1 672 . 9 1 1 A 53 53 ASP CB C 53 39.034 40.763 -1.729 1
1 673 . 9 1 1 A 53 53 ASP N N 53 121.313 121.462 -0.149 1
1 674 . 9 1 1 A 54 54 ASP H H 54 7.811 7.681 0.130 1
1 675 . 9 1 1 A 54 54 ASP HA H 54 4.253 4.367 -0.114 1
1 678 . 9 1 1 A 54 54 ASP C C 54 177.927 178.272 -0.345 1
1 679 . 9 1 1 A 54 54 ASP CA C 54 56.467 56.986 -0.519 1
1 680 . 9 1 1 A 54 54 ASP CB C 54 39.401 41.064 -1.663 1
1 681 . 9 1 1 A 54 54 ASP N N 54 120.122 119.415 0.707 1
1 682 . 9 1 1 A 55 55 LEU H H 55 7.789 8.134 -0.345 1
1 683 . 9 1 1 A 55 55 LEU HA H 55 3.979 4.081 -0.102 1
1 693 . 9 1 1 A 55 55 LEU C C 55 178.027 178.512 -0.485 1
1 694 . 9 1 1 A 55 55 LEU CA C 55 56.713 58.241 -1.528 1
1 695 . 9 1 1 A 55 55 LEU CB C 55 40.799 41.645 -0.846 1
1 699 . 9 1 1 A 55 55 LEU N N 55 122.944 120.492 2.452 1
1 700 . 9 1 1 A 56 56 MET H H 56 8.601 8.655 -0.054 1
1 701 . 9 1 1 A 56 56 MET HA H 56 3.827 4.039 -0.212 1
1 709 . 9 1 1 A 56 56 MET C C 56 177.027 177.911 -0.884 1
1 710 . 9 1 1 A 56 56 MET CA C 56 57.116 58.545 -1.429 1
1 711 . 9 1 1 A 56 56 MET CB C 56 29.825 31.953 -2.128 1
1 714 . 9 1 1 A 56 56 MET N N 56 117.863 119.241 -1.378 1
1 715 . 9 1 1 A 57 57 LYS H H 57 7.693 8.152 -0.459 1
1 716 . 9 1 1 A 57 57 LYS HA H 57 3.954 3.998 -0.044 1
1 725 . 9 1 1 A 57 57 LYS C C 57 178.127 178.155 -0.028 1
1 726 . 9 1 1 A 57 57 LYS CA C 57 58.352 58.980 -0.628 1
1 727 . 9 1 1 A 57 57 LYS CB C 57 31.315 32.154 -0.839 1
1 731 . 9 1 1 A 57 57 LYS N N 57 116.455 119.847 -3.392 1
1 732 . 9 1 1 A 58 58 SER H H 58 7.661 7.911 -0.250 1
1 733 . 9 1 1 A 58 58 SER HA H 58 4.115 4.414 -0.299 1
1 736 . 9 1 1 A 58 58 SER C C 58 174.827 176.041 -1.214 1
1 737 . 9 1 1 A 58 58 SER CA C 58 59.986 61.120 -1.134 1
1 738 . 9 1 1 A 58 58 SER CB C 58 62.464 63.425 -0.961 1
1 739 . 9 1 1 A 58 58 SER N N 58 113.020 116.269 -3.249 1
1 740 . 9 1 1 A 59 59 LEU H H 59 7.917 7.869 0.048 1
1 741 . 9 1 1 A 59 59 LEU HA H 59 4.269 4.236 0.033 1
1 751 . 9 1 1 A 59 59 LEU C C 59 177.627 178.096 -0.469 1
1 752 . 9 1 1 A 59 59 LEU CA C 59 54.402 57.005 -2.603 1
1 753 . 9 1 1 A 59 59 LEU CB C 59 43.731 42.439 1.292 1
1 757 . 9 1 1 A 59 59 LEU N N 59 117.463 119.974 -2.511 1
1 758 . 9 1 1 A 60 60 ASP H H 60 8.025 8.176 -0.151 1
1 759 . 9 1 1 A 60 60 ASP HA H 60 4.566 4.676 -0.110 1
1 762 . 9 1 1 A 60 60 ASP C C 60 176.627 176.787 -0.160 1
1 763 . 9 1 1 A 60 60 ASP CA C 60 52.335 52.859 -0.524 1
1 764 . 9 1 1 A 60 60 ASP CB C 60 38.139 39.049 -0.910 1
1 765 . 9 1 1 A 60 60 ASP N N 60 117.588 118.394 -0.806 1
1 766 . 9 1 1 A 61 61 LYS H H 61 8.100 8.052 0.048 1
1 767 . 9 1 1 A 61 61 LYS HA H 61 4.035 3.953 0.082 1
1 776 . 9 1 1 A 61 61 LYS C C 61 176.727 178.169 -1.442 1
1 777 . 9 1 1 A 61 61 LYS CA C 61 56.887 58.994 -2.107 1
1 778 . 9 1 1 A 61 61 LYS CB C 61 31.653 32.464 -0.811 1
1 782 . 9 1 1 A 61 61 LYS N N 61 126.943 126.495 0.448 1
1 783 . 9 1 1 A 62 62 ASN H H 62 7.864 7.621 0.243 1
1 784 . 9 1 1 A 62 62 ASN HA H 62 4.759 4.683 0.076 1
1 789 . 9 1 1 A 62 62 ASN C C 62 173.727 175.481 -1.754 1
1 790 . 9 1 1 A 62 62 ASN CA C 62 50.660 52.716 -2.056 1
1 791 . 9 1 1 A 62 62 ASN CB C 62 35.920 39.162 -3.242 1
1 792 . 9 1 1 A 62 62 ASN N N 62 113.588 114.195 -0.607 1
1 794 . 9 1 1 A 63 63 SER H H 63 7.613 8.148 -0.535 1
1 795 . 9 1 1 A 63 63 SER HA H 63 3.962 4.418 -0.456 1
1 798 . 9 1 1 A 63 63 SER C C 63 172.927 174.213 -1.286 1
1 799 . 9 1 1 A 63 63 SER CA C 63 58.262 58.933 -0.671 1
1 800 . 9 1 1 A 63 63 SER CB C 63 60.708 62.013 -1.305 1
1 801 . 9 1 1 A 63 63 SER N N 63 111.592 114.687 -3.095 1
1 802 . 9 1 1 A 64 64 ASP H H 64 8.217 8.506 -0.289 1
1 803 . 9 1 1 A 64 64 ASP HA H 64 4.653 4.849 -0.196 1
1 806 . 9 1 1 A 64 64 ASP C C 64 175.927 176.486 -0.559 1
1 807 . 9 1 1 A 64 64 ASP CA C 64 51.641 54.699 -3.058 1
1 808 . 9 1 1 A 64 64 ASP CB C 64 39.385 41.674 -2.289 1
1 809 . 9 1 1 A 64 64 ASP N N 64 118.913 125.610 -6.697 1
1 810 . 9 1 1 A 65 65 GLN H H 65 10.239 8.207 2.032 1
1 811 . 9 1 1 A 65 65 GLN HA H 65 3.356 4.504 -1.148 1
1 818 . 9 1 1 A 65 65 GLN C C 65 172.627 175.086 -2.459 1
1 819 . 9 1 1 A 65 65 GLN CA C 65 56.325 56.294 0.031 1
1 820 . 9 1 1 A 65 65 GLN CB C 65 24.910 31.286 -6.376 1
1 822 . 9 1 1 A 65 65 GLN N N 65 114.908 117.012 -2.104 1
1 824 . 9 1 1 A 66 66 GLU H H 66 7.710 7.922 -0.212 1
1 825 . 9 1 1 A 66 66 GLU HA H 66 4.691 4.725 -0.034 1
1 830 . 9 1 1 A 66 66 GLU C C 66 174.127 174.377 -0.250 1
1 831 . 9 1 1 A 66 66 GLU CA C 66 52.987 55.317 -2.330 1
1 832 . 9 1 1 A 66 66 GLU CB C 66 32.433 32.230 0.203 1
1 834 . 9 1 1 A 66 66 GLU N N 66 115.721 115.287 0.434 1
1 835 . 9 1 1 A 67 67 ILE H H 67 9.938 8.914 1.024 1
1 836 . 9 1 1 A 67 67 ILE HA H 67 5.291 4.937 0.354 1
1 846 . 9 1 1 A 67 67 ILE C C 67 175.627 175.272 0.355 1
1 847 . 9 1 1 A 67 67 ILE CA C 67 56.241 60.339 -4.098 1
1 848 . 9 1 1 A 67 67 ILE CB C 67 35.492 38.731 -3.239 1
1 852 . 9 1 1 A 67 67 ILE N N 67 125.901 123.099 2.802 1
1 853 . 9 1 1 A 68 68 ASP H H 68 8.794 9.028 -0.234 1
1 854 . 9 1 1 A 68 68 ASP HA H 68 5.002 4.791 0.211 1
1 857 . 9 1 1 A 68 68 ASP C C 68 174.427 177.394 -2.967 1
1 858 . 9 1 1 A 68 68 ASP CA C 68 51.563 54.279 -2.716 1
1 859 . 9 1 1 A 68 68 ASP CB C 68 40.493 42.473 -1.980 1
1 860 . 9 1 1 A 68 68 ASP N N 68 127.844 128.408 -0.564 1
1 861 . 9 1 1 A 69 69 PHE H H 69 9.068 8.994 0.074 1
1 862 . 9 1 1 A 69 69 PHE HA H 69 3.130 4.010 -0.880 1
1 869 . 9 1 1 A 69 69 PHE C C 69 176.827 177.830 -1.003 1
1 870 . 9 1 1 A 69 69 PHE CA C 69 62.478 61.217 1.261 1
1 871 . 9 1 1 A 69 69 PHE CB C 69 38.096 38.623 -0.527 1
1 872 . 9 1 1 A 69 69 PHE N N 69 118.955 125.272 -6.317 1
1 873 . 9 1 1 A 70 70 LYS H H 70 8.123 8.427 -0.304 1
1 874 . 9 1 1 A 70 70 LYS HA H 70 3.871 4.268 -0.397 1
1 883 . 9 1 1 A 70 70 LYS C C 70 179.527 178.525 1.002 1
1 884 . 9 1 1 A 70 70 LYS CA C 70 59.457 58.221 1.236 1
1 885 . 9 1 1 A 70 70 LYS CB C 70 30.772 31.205 -0.433 1
1 889 . 9 1 1 A 70 70 LYS N N 70 120.287 117.560 2.727 1
1 890 . 9 1 1 A 71 71 GLU H H 71 8.746 8.264 0.482 1
1 891 . 9 1 1 A 71 71 GLU HA H 71 4.099 4.294 -0.195 1
1 896 . 9 1 1 A 71 71 GLU C C 71 179.127 178.801 0.326 1
1 897 . 9 1 1 A 71 71 GLU CA C 71 57.934 58.934 -1.000 1
1 898 . 9 1 1 A 71 71 GLU CB C 71 29.266 30.583 -1.317 1
1 900 . 9 1 1 A 71 71 GLU N N 71 122.207 118.957 3.250 1
1 901 . 9 1 1 A 72 72 TYR H H 72 8.879 8.609 0.270 1
1 902 . 9 1 1 A 72 72 TYR HA H 72 4.010 4.195 -0.185 1
1 909 . 9 1 1 A 72 72 TYR C C 72 175.927 177.871 -1.944 1
1 910 . 9 1 1 A 72 72 TYR CA C 72 58.551 61.646 -3.095 1
1 911 . 9 1 1 A 72 72 TYR CB C 72 38.072 38.795 -0.723 1
1 912 . 9 1 1 A 72 72 TYR N N 72 121.813 122.382 -0.569 1
1 913 . 9 1 1 A 73 73 SER H H 73 8.414 8.439 -0.025 1
1 914 . 9 1 1 A 73 73 SER HA H 73 3.462 4.392 -0.930 1
1 917 . 9 1 1 A 73 73 SER C C 73 175.127 176.717 -1.590 1
1 918 . 9 1 1 A 73 73 SER CA C 73 61.876 61.260 0.616 1
1 919 . 9 1 1 A 73 73 SER CB C 73 61.327 62.651 -1.324 1
1 920 . 9 1 1 A 73 73 SER N N 73 117.840 114.535 3.305 1
1 921 . 9 1 1 A 74 74 VAL H H 74 7.363 8.563 -1.200 1
1 922 . 9 1 1 A 74 74 VAL HA H 74 3.584 3.735 -0.151 1
1 930 . 9 1 1 A 74 74 VAL C C 74 178.027 177.903 0.124 1
1 931 . 9 1 1 A 74 74 VAL CA C 74 65.397 65.064 0.333 1
1 932 . 9 1 1 A 74 74 VAL CB C 74 30.300 31.413 -1.113 1
1 935 . 9 1 1 A 74 74 VAL N N 74 123.439 122.277 1.162 1
1 936 . 9 1 1 A 75 75 PHE H H 75 7.282 8.013 -0.731 1
1 937 . 9 1 1 A 75 75 PHE HA H 75 4.562 4.032 0.530 1
1 945 . 9 1 1 A 75 75 PHE C C 75 176.127 176.765 -0.638 1
1 946 . 9 1 1 A 75 75 PHE CA C 75 57.851 61.038 -3.187 1
1 947 . 9 1 1 A 75 75 PHE CB C 75 36.863 39.106 -2.243 1
1 948 . 9 1 1 A 75 75 PHE N N 75 122.766 122.292 0.474 1
1 949 . 9 1 1 A 76 76 LEU H H 76 7.823 8.007 -0.184 1
1 950 . 9 1 1 A 76 76 LEU HA H 76 3.445 3.704 -0.259 1
1 960 . 9 1 1 A 76 76 LEU C C 76 178.927 179.374 -0.447 1
1 961 . 9 1 1 A 76 76 LEU CA C 76 56.891 57.750 -0.859 1
1 962 . 9 1 1 A 76 76 LEU CB C 76 39.917 41.385 -1.468 1
1 966 . 9 1 1 A 76 76 LEU N N 76 115.619 119.504 -3.885 1
1 967 . 9 1 1 A 77 77 THR H H 77 7.858 8.139 -0.281 1
1 968 . 9 1 1 A 77 77 THR HA H 77 3.665 3.780 -0.115 1
1 974 . 9 1 1 A 77 77 THR C C 77 175.427 176.835 -1.408 1
1 975 . 9 1 1 A 77 77 THR CA C 77 66.127 66.635 -0.508 1
1 976 . 9 1 1 A 77 77 THR CB C 77 67.585 68.069 -0.484 1
1 978 . 9 1 1 A 77 77 THR N N 77 113.417 116.165 -2.748 1
1 979 . 9 1 1 A 78 78 MET H H 78 7.970 8.246 -0.276 1
1 980 . 9 1 1 A 78 78 MET HA H 78 3.935 3.975 -0.040 1
1 988 . 9 1 1 A 78 78 MET C C 78 179.127 178.945 0.182 1
1 989 . 9 1 1 A 78 78 MET CA C 78 58.780 58.861 -0.081 1
1 990 . 9 1 1 A 78 78 MET CB C 78 31.501 32.850 -1.349 1
1 993 . 9 1 1 A 78 78 MET N N 78 122.745 118.684 4.061 1
1 994 . 9 1 1 A 79 79 LEU H H 79 7.898 8.033 -0.135 1
1 995 . 9 1 1 A 79 79 LEU HA H 79 3.870 3.990 -0.120 1
1 1005 . 9 1 1 A 79 79 LEU C C 79 178.427 178.582 -0.155 1
1 1006 . 9 1 1 A 79 79 LEU CA C 79 56.843 57.889 -1.046 1
1 1007 . 9 1 1 A 79 79 LEU CB C 79 41.099 41.583 -0.484 1
1 1011 . 9 1 1 A 79 79 LEU N N 79 120.989 119.645 1.344 1
1 1012 . 9 1 1 A 80 80 CYS H H 80 8.400 8.403 -0.003 1
1 1013 . 9 1 1 A 80 80 CYS HA H 80 3.830 4.193 -0.363 1
1 1017 . 9 1 1 A 80 80 CYS C C 80 175.927 177.799 -1.872 1
1 1018 . 9 1 1 A 80 80 CYS CA C 80 64.044 62.784 1.260 1
1 1019 . 9 1 1 A 80 80 CYS CB C 80 25.626 26.538 -0.912 1
1 1020 . 9 1 1 A 80 80 CYS N N 80 117.746 117.158 0.588 1
1 1021 . 9 1 1 A 81 81 MET H H 81 8.295 8.219 0.076 1
1 1022 . 9 1 1 A 81 81 MET HA H 81 4.023 4.282 -0.259 1
1 1030 . 9 1 1 A 81 81 MET C C 81 177.327 178.093 -0.766 1
1 1031 . 9 1 1 A 81 81 MET CA C 81 57.601 58.744 -1.143 1
1 1032 . 9 1 1 A 81 81 MET CB C 81 30.668 32.213 -1.545 1
1 1035 . 9 1 1 A 81 81 MET N N 81 117.598 119.815 -2.217 1
1 1036 . 9 1 1 A 82 82 ALA H H 82 7.624 7.970 -0.346 1
1 1037 . 9 1 1 A 82 82 ALA HA H 82 4.061 4.038 0.023 1
1 1041 . 9 1 1 A 82 82 ALA C C 82 179.627 179.577 0.050 1
1 1042 . 9 1 1 A 82 82 ALA CA C 82 53.856 55.169 -1.313 1
1 1043 . 9 1 1 A 82 82 ALA CB C 82 16.794 18.237 -1.443 1
1 1044 . 9 1 1 A 82 82 ALA N N 82 121.886 121.629 0.257 1
1 1045 . 9 1 1 A 83 83 TYR H H 83 8.476 8.162 0.314 1
1 1046 . 9 1 1 A 83 83 TYR HA H 83 4.147 4.387 -0.240 1
1 1053 . 9 1 1 A 83 83 TYR C C 83 178.127 178.043 0.084 1
1 1054 . 9 1 1 A 83 83 TYR CA C 83 60.066 61.677 -1.611 1
1 1055 . 9 1 1 A 83 83 TYR CB C 83 36.546 37.483 -0.937 1
1 1056 . 9 1 1 A 83 83 TYR N N 83 119.136 116.294 2.842 1
1 1057 . 9 1 1 A 84 84 ASN H H 84 8.386 8.322 0.064 1
1 1058 . 9 1 1 A 84 84 ASN HA H 84 4.221 4.454 -0.233 1
1 1063 . 9 1 1 A 84 84 ASN C C 84 175.427 177.139 -1.712 1
1 1064 . 9 1 1 A 84 84 ASN CA C 84 56.123 56.675 -0.552 1
1 1065 . 9 1 1 A 84 84 ASN CB C 84 37.387 39.130 -1.743 1
1 1066 . 9 1 1 A 84 84 ASN N N 84 120.692 119.844 0.848 1
1 1068 . 9 1 1 A 85 85 ASP H H 85 7.611 8.045 -0.434 1
1 1069 . 9 1 1 A 85 85 ASP HA H 85 4.234 4.363 -0.129 1
1 1072 . 9 1 1 A 85 85 ASP C C 85 178.227 178.349 -0.122 1
1 1073 . 9 1 1 A 85 85 ASP CA C 85 56.752 57.333 -0.581 1
1 1074 . 9 1 1 A 85 85 ASP CB C 85 38.688 41.596 -2.908 1
1 1075 . 9 1 1 A 85 85 ASP N N 85 118.378 119.200 -0.822 1
1 1076 . 9 1 1 A 86 86 PHE H H 86 7.538 8.253 -0.715 1
1 1077 . 9 1 1 A 86 86 PHE HA H 86 4.291 4.148 0.143 1
1 1084 . 9 1 1 A 86 86 PHE C C 86 176.627 177.737 -1.110 1
1 1085 . 9 1 1 A 86 86 PHE CA C 86 58.743 61.514 -2.771 1
1 1086 . 9 1 1 A 86 86 PHE CB C 86 37.488 39.052 -1.564 1
1 1087 . 9 1 1 A 86 86 PHE N N 86 118.712 120.586 -1.874 1
1 1088 . 9 1 1 A 87 87 PHE H H 87 8.132 8.290 -0.158 1
1 1089 . 9 1 1 A 87 87 PHE HA H 87 3.906 4.131 -0.225 1
1 1096 . 9 1 1 A 87 87 PHE C C 87 176.627 177.297 -0.670 1
1 1097 . 9 1 1 A 87 87 PHE CA C 87 59.554 61.190 -1.636 1
1 1098 . 9 1 1 A 87 87 PHE CB C 87 38.017 39.459 -1.442 1
1 1099 . 9 1 1 A 87 87 PHE N N 87 121.649 120.006 1.643 1
1 1100 . 9 1 1 A 88 88 LEU H H 88 7.953 7.900 0.053 1
1 1101 . 9 1 1 A 88 88 LEU HA H 88 3.775 4.112 -0.337 1
1 1111 . 9 1 1 A 88 88 LEU C C 88 177.627 178.988 -1.361 1
1 1112 . 9 1 1 A 88 88 LEU CA C 88 55.078 57.108 -2.030 1
1 1113 . 9 1 1 A 88 88 LEU CB C 88 41.226 41.644 -0.418 1
1 1117 . 9 1 1 A 88 88 LEU N N 88 118.897 119.091 -0.194 1
1 1118 . 9 1 1 A 89 89 GLU H H 89 7.475 8.043 -0.568 1
1 1119 . 9 1 1 A 89 89 GLU HA H 89 3.914 4.242 -0.328 1
1 1124 . 9 1 1 A 89 89 GLU C C 89 176.127 178.653 -2.526 1
1 1125 . 9 1 1 A 89 89 GLU CA C 89 56.926 58.767 -1.841 1
1 1126 . 9 1 1 A 89 89 GLU CB C 89 28.567 30.214 -1.647 1
1 1128 . 9 1 1 A 89 89 GLU N N 89 119.332 120.291 -0.959 1
1 1129 . 9 1 1 A 90 90 ASP H H 90 7.750 8.435 -0.685 1
1 1130 . 9 1 1 A 90 90 ASP HA H 90 4.370 4.405 -0.035 1
1 1133 . 9 1 1 A 90 90 ASP C C 90 175.227 177.847 -2.620 1
1 1134 . 9 1 1 A 90 90 ASP CA C 90 53.593 56.708 -3.115 1
1 1135 . 9 1 1 A 90 90 ASP CB C 90 40.323 40.313 0.010 1
1 1136 . 9 1 1 A 90 90 ASP N N 90 118.945 119.553 -0.608 1
1 1137 . 9 1 1 A 91 91 ASN H H 91 7.681 7.785 -0.104 1
1 1138 . 9 1 1 A 91 91 ASN HA H 91 4.495 4.758 -0.263 1
1 1143 . 9 1 1 A 91 91 ASN C C 91 173.027 175.572 -2.545 1
1 1144 . 9 1 1 A 91 91 ASN CA C 91 52.041 53.053 -1.012 1
1 1145 . 9 1 1 A 91 91 ASN CB C 91 38.072 38.932 -0.860 1
1 1146 . 9 1 1 A 91 91 ASN N N 91 118.171 115.458 2.713 1
1 10 . 10 1 1 A 2 2 GLU H H 2 8.776 8.877 -0.101 1
1 11 . 10 1 1 A 2 2 GLU HA H 2 4.535 4.516 0.019 1
1 16 . 10 1 1 A 2 2 GLU C C 2 175.627 176.233 -0.606 1
1 17 . 10 1 1 A 2 2 GLU CA C 2 55.573 56.551 -0.978 1
1 18 . 10 1 1 A 2 2 GLU CB C 2 30.569 30.976 -0.407 1
1 20 . 10 1 1 A 2 2 GLU N N 2 124.305 122.596 1.709 1
1 21 . 10 1 1 A 3 3 THR H H 3 8.835 8.000 0.835 1
1 22 . 10 1 1 A 3 3 THR HA H 3 4.608 4.821 -0.213 1
1 27 . 10 1 1 A 3 3 THR CA C 3 59.187 58.575 0.612 1
1 28 . 10 1 1 A 3 3 THR CB C 3 67.385 70.088 -2.703 1
1 30 . 10 1 1 A 3 3 THR N N 3 116.176 111.307 4.869 1
1 31 . 10 1 1 A 4 4 PRO HA H 4 4.158 4.414 -0.256 1
1 38 . 10 1 1 A 4 4 PRO C C 4 179.327 177.484 1.843 1
1 39 . 10 1 1 A 4 4 PRO CA C 4 65.040 64.603 0.437 1
1 40 . 10 1 1 A 4 4 PRO CB C 4 30.616 31.805 -1.189 1
1 43 . 10 1 1 A 5 5 LEU H H 5 8.794 7.706 1.088 1
1 44 . 10 1 1 A 5 5 LEU HA H 5 3.944 4.036 -0.092 1
1 54 . 10 1 1 A 5 5 LEU C C 5 177.327 178.655 -1.328 1
1 55 . 10 1 1 A 5 5 LEU CA C 5 56.920 57.493 -0.573 1
1 56 . 10 1 1 A 5 5 LEU CB C 5 41.139 41.717 -0.578 1
1 60 . 10 1 1 A 5 5 LEU N N 5 118.892 119.759 -0.867 1
1 61 . 10 1 1 A 6 6 GLU H H 6 7.664 7.866 -0.202 1
1 62 . 10 1 1 A 6 6 GLU HA H 6 3.744 3.908 -0.164 1
1 67 . 10 1 1 A 6 6 GLU C C 6 178.827 179.488 -0.661 1
1 68 . 10 1 1 A 6 6 GLU CA C 6 59.347 59.987 -0.640 1
1 69 . 10 1 1 A 6 6 GLU CB C 6 28.700 29.567 -0.867 1
1 71 . 10 1 1 A 6 6 GLU N N 6 118.741 118.321 0.420 1
1 72 . 10 1 1 A 7 7 LYS H H 7 8.435 8.053 0.382 1
1 73 . 10 1 1 A 7 7 LYS HA H 7 3.909 4.075 -0.166 1
1 82 . 10 1 1 A 7 7 LYS C C 7 178.527 178.915 -0.388 1
1 83 . 10 1 1 A 7 7 LYS CA C 7 58.539 58.974 -0.435 1
1 84 . 10 1 1 A 7 7 LYS CB C 7 31.217 31.920 -0.703 1
1 88 . 10 1 1 A 7 7 LYS N N 7 119.285 119.232 0.053 1
1 89 . 10 1 1 A 8 8 ALA H H 8 8.008 7.915 0.093 1
1 90 . 10 1 1 A 8 8 ALA HA H 8 4.038 3.994 0.044 1
1 94 . 10 1 1 A 8 8 ALA C C 8 178.327 179.893 -1.566 1
1 95 . 10 1 1 A 8 8 ALA CA C 8 54.356 55.027 -0.671 1
1 96 . 10 1 1 A 8 8 ALA CB C 8 17.509 18.569 -1.060 1
1 97 . 10 1 1 A 8 8 ALA N N 8 123.866 122.760 1.106 1
1 98 . 10 1 1 A 9 9 LEU H H 9 8.163 8.294 -0.131 1
1 99 . 10 1 1 A 9 9 LEU HA H 9 3.809 3.953 -0.144 1
1 109 . 10 1 1 A 9 9 LEU C C 9 178.527 179.414 -0.887 1
1 110 . 10 1 1 A 9 9 LEU CA C 9 57.256 58.073 -0.817 1
1 111 . 10 1 1 A 9 9 LEU CB C 9 40.483 41.243 -0.760 1
1 115 . 10 1 1 A 9 9 LEU N N 9 119.134 118.324 0.810 1
1 116 . 10 1 1 A 10 10 THR H H 10 8.186 8.422 -0.236 1
1 117 . 10 1 1 A 10 10 THR HA H 10 3.741 3.974 -0.233 1
1 122 . 10 1 1 A 10 10 THR C C 10 176.727 176.980 -0.253 1
1 123 . 10 1 1 A 10 10 THR CA C 10 66.345 65.659 0.686 1
1 124 . 10 1 1 A 10 10 THR CB C 10 67.558 68.821 -1.263 1
1 126 . 10 1 1 A 10 10 THR N N 10 114.355 113.722 0.633 1
1 127 . 10 1 1 A 11 11 THR H H 11 8.387 8.328 0.059 1
1 128 . 10 1 1 A 11 11 THR HA H 11 3.963 4.056 -0.093 1
1 133 . 10 1 1 A 11 11 THR C C 11 176.827 176.840 -0.013 1
1 134 . 10 1 1 A 11 11 THR CA C 11 65.801 65.615 0.186 1
1 135 . 10 1 1 A 11 11 THR CB C 11 67.140 68.820 -1.680 1
1 137 . 10 1 1 A 11 11 THR N N 11 120.801 115.942 4.859 1
1 138 . 10 1 1 A 12 12 MET H H 12 8.299 8.084 0.215 1
1 139 . 10 1 1 A 12 12 MET HA H 12 3.872 4.273 -0.401 1
1 147 . 10 1 1 A 12 12 MET C C 12 177.827 179.288 -1.461 1
1 148 . 10 1 1 A 12 12 MET CA C 12 59.263 58.570 0.693 1
1 149 . 10 1 1 A 12 12 MET CB C 12 31.845 32.355 -0.510 1
1 152 . 10 1 1 A 12 12 MET N N 12 124.102 119.396 4.706 1
1 153 . 10 1 1 A 13 13 VAL H H 13 7.820 8.001 -0.181 1
1 154 . 10 1 1 A 13 13 VAL HA H 13 3.937 4.179 -0.242 1
1 162 . 10 1 1 A 13 13 VAL C C 13 177.127 178.688 -1.561 1
1 163 . 10 1 1 A 13 13 VAL CA C 13 65.677 65.997 -0.320 1
1 164 . 10 1 1 A 13 13 VAL CB C 13 31.656 31.401 0.255 1
1 167 . 10 1 1 A 13 13 VAL N N 13 119.838 120.507 -0.669 1
1 168 . 10 1 1 A 14 14 THR H H 14 9.107 8.380 0.727 1
1 169 . 10 1 1 A 14 14 THR HA H 14 3.654 4.063 -0.409 1
1 174 . 10 1 1 A 14 14 THR C C 14 177.527 177.161 0.366 1
1 175 . 10 1 1 A 14 14 THR CA C 14 65.273 65.980 -0.707 1
1 176 . 10 1 1 A 14 14 THR CB C 14 67.652 68.680 -1.028 1
1 178 . 10 1 1 A 14 14 THR N N 14 112.247 117.392 -5.145 1
1 179 . 10 1 1 A 15 15 THR H H 15 8.189 8.343 -0.154 1
1 180 . 10 1 1 A 15 15 THR HA H 15 3.864 4.359 -0.495 1
1 186 . 10 1 1 A 15 15 THR C C 15 173.627 176.717 -3.090 1
1 187 . 10 1 1 A 15 15 THR CA C 15 66.930 65.869 1.061 1
1 188 . 10 1 1 A 15 15 THR CB C 15 66.539 68.256 -1.717 1
1 190 . 10 1 1 A 15 15 THR N N 15 117.691 112.257 5.434 1
1 191 . 10 1 1 A 16 16 PHE H H 16 6.850 7.997 -1.147 1
1 192 . 10 1 1 A 16 16 PHE HA H 16 3.417 4.029 -0.612 1
1 199 . 10 1 1 A 16 16 PHE C C 16 175.627 177.255 -1.628 1
1 200 . 10 1 1 A 16 16 PHE CA C 16 61.577 61.605 -0.028 1
1 201 . 10 1 1 A 16 16 PHE CB C 16 38.177 39.240 -1.063 1
1 202 . 10 1 1 A 16 16 PHE N N 16 120.169 124.359 -4.190 1
1 203 . 10 1 1 A 17 17 HIS H H 17 6.924 8.891 -1.967 1
1 204 . 10 1 1 A 17 17 HIS HA H 17 4.755 4.266 0.489 1
1 207 . 10 1 1 A 17 17 HIS C C 17 176.227 176.844 -0.617 1
1 208 . 10 1 1 A 17 17 HIS CA C 17 56.810 60.698 -3.888 1
1 209 . 10 1 1 A 17 17 HIS CB C 17 29.597 30.319 -0.722 1
1 210 . 10 1 1 A 17 17 HIS N N 17 115.499 117.211 -1.712 1
1 211 . 10 1 1 A 18 18 LYS H H 18 7.888 8.366 -0.478 1
1 212 . 10 1 1 A 18 18 LYS HA H 18 3.870 3.994 -0.124 1
1 221 . 10 1 1 A 18 18 LYS C C 18 176.927 178.720 -1.793 1
1 222 . 10 1 1 A 18 18 LYS CA C 18 57.897 59.127 -1.230 1
1 223 . 10 1 1 A 18 18 LYS CB C 18 31.582 32.334 -0.752 1
1 227 . 10 1 1 A 18 18 LYS N N 18 121.217 119.482 1.735 1
1 228 . 10 1 1 A 19 19 TYR H H 19 6.928 8.551 -1.623 1
1 229 . 10 1 1 A 19 19 TYR HA H 19 4.163 4.265 -0.102 1
1 234 . 10 1 1 A 19 19 TYR C C 19 175.027 178.686 -3.659 1
1 235 . 10 1 1 A 19 19 TYR CA C 19 59.335 60.849 -1.514 1
1 236 . 10 1 1 A 19 19 TYR CB C 19 39.515 37.980 1.535 1
1 237 . 10 1 1 A 19 19 TYR N N 19 114.488 119.225 -4.737 1
1 238 . 10 1 1 A 20 20 SER H H 20 8.021 9.028 -1.007 1
1 239 . 10 1 1 A 20 20 SER HA H 20 3.105 4.256 -1.151 1
1 242 . 10 1 1 A 20 20 SER C C 20 176.527 176.812 -0.285 1
1 243 . 10 1 1 A 20 20 SER CA C 20 60.457 61.133 -0.676 1
1 244 . 10 1 1 A 20 20 SER CB C 20 60.326 62.225 -1.899 1
1 245 . 10 1 1 A 20 20 SER N N 20 112.624 115.843 -3.219 1
1 246 . 10 1 1 A 21 21 GLY H H 21 7.908 8.013 -0.105 1
1 247 . 10 1 1 A 21 21 GLY HA2 H 21 4.197 3.944 0.253 1
1 248 . 10 1 1 A 21 21 GLY HA3 H 21 3.761 3.974 -0.213 1
1 249 . 10 1 1 A 21 21 GLY C C 21 173.027 175.169 -2.142 1
1 250 . 10 1 1 A 21 21 GLY CA C 21 44.357 45.759 -1.402 1
1 251 . 10 1 1 A 21 21 GLY N N 21 112.095 110.019 2.076 1
1 252 . 10 1 1 A 22 22 ARG H H 22 7.470 7.712 -0.242 1
1 253 . 10 1 1 A 22 22 ARG HA H 22 3.956 4.087 -0.131 1
1 260 . 10 1 1 A 22 22 ARG C C 22 176.327 175.761 0.566 1
1 261 . 10 1 1 A 22 22 ARG CA C 22 58.189 58.513 -0.324 1
1 262 . 10 1 1 A 22 22 ARG CB C 22 29.483 30.861 -1.378 1
1 265 . 10 1 1 A 22 22 ARG N N 22 122.481 120.756 1.725 1
1 266 . 10 1 1 A 23 23 GLU H H 23 9.412 7.959 1.453 1
1 267 . 10 1 1 A 23 23 GLU HA H 23 4.626 4.547 0.079 1
1 272 . 10 1 1 A 23 23 GLU C C 23 175.027 176.065 -1.038 1
1 273 . 10 1 1 A 23 23 GLU CA C 23 53.319 56.214 -2.895 1
1 274 . 10 1 1 A 23 23 GLU CB C 23 32.032 33.316 -1.284 1
1 276 . 10 1 1 A 23 23 GLU N N 23 116.123 118.115 -1.992 1
1 277 . 10 1 1 A 24 24 GLY H H 24 9.080 8.709 0.371 1
1 278 . 10 1 1 A 24 24 GLY HA2 H 24 3.694 3.863 -0.169 1
1 279 . 10 1 1 A 24 24 GLY HA3 H 24 3.878 3.889 -0.011 1
1 280 . 10 1 1 A 24 24 GLY C C 24 172.827 173.926 -1.099 1
1 281 . 10 1 1 A 24 24 GLY CA C 24 44.707 46.949 -2.242 1
1 282 . 10 1 1 A 24 24 GLY N N 24 114.015 114.777 -0.762 1
1 283 . 10 1 1 A 25 25 SER H H 25 8.465 8.869 -0.404 1
1 284 . 10 1 1 A 25 25 SER HA H 25 4.312 4.250 0.062 1
1 287 . 10 1 1 A 25 25 SER C C 25 178.027 175.769 2.258 1
1 288 . 10 1 1 A 25 25 SER CA C 25 57.478 59.764 -2.286 1
1 289 . 10 1 1 A 25 25 SER CB C 25 61.941 63.638 -1.697 1
1 290 . 10 1 1 A 25 25 SER N N 25 117.299 120.762 -3.463 1
1 291 . 10 1 1 A 26 26 LYS H H 26 9.532 8.575 0.957 1
1 292 . 10 1 1 A 26 26 LYS HA H 26 4.660 4.524 0.136 1
1 301 . 10 1 1 A 26 26 LYS C C 26 176.127 176.615 -0.488 1
1 302 . 10 1 1 A 26 26 LYS CA C 26 56.928 56.768 0.160 1
1 303 . 10 1 1 A 26 26 LYS CB C 26 30.526 32.250 -1.724 1
1 307 . 10 1 1 A 26 26 LYS N N 26 131.209 122.613 8.596 1
1 308 . 10 1 1 A 27 27 LEU H H 27 8.643 8.123 0.520 1
1 309 . 10 1 1 A 27 27 LEU HA H 27 4.583 4.471 0.112 1
1 319 . 10 1 1 A 27 27 LEU C C 27 174.827 175.995 -1.168 1
1 320 . 10 1 1 A 27 27 LEU CA C 27 53.205 55.890 -2.685 1
1 321 . 10 1 1 A 27 27 LEU CB C 27 41.824 45.220 -3.396 1
1 325 . 10 1 1 A 27 27 LEU N N 27 118.729 119.612 -0.883 1
1 326 . 10 1 1 A 28 28 THR H H 28 7.037 7.642 -0.605 1
1 327 . 10 1 1 A 28 28 THR HA H 28 5.168 4.530 0.638 1
1 332 . 10 1 1 A 28 28 THR C C 28 172.727 174.589 -1.862 1
1 333 . 10 1 1 A 28 28 THR CA C 28 57.915 61.262 -3.347 1
1 334 . 10 1 1 A 28 28 THR CB C 28 71.934 70.286 1.648 1
1 336 . 10 1 1 A 28 28 THR N N 28 104.663 110.124 -5.461 1
1 337 . 10 1 1 A 29 29 LEU H H 29 9.517 8.598 0.919 1
1 338 . 10 1 1 A 29 29 LEU HA H 29 5.196 4.772 0.424 1
1 348 . 10 1 1 A 29 29 LEU C C 29 175.527 176.264 -0.737 1
1 349 . 10 1 1 A 29 29 LEU CA C 29 51.653 54.068 -2.415 1
1 350 . 10 1 1 A 29 29 LEU CB C 29 42.301 41.027 1.274 1
1 354 . 10 1 1 A 29 29 LEU N N 29 125.388 125.694 -0.306 1
1 355 . 10 1 1 A 30 30 SER H H 30 10.053 8.610 1.443 1
1 356 . 10 1 1 A 30 30 SER HA H 30 4.475 4.397 0.078 1
1 359 . 10 1 1 A 30 30 SER C C 30 173.427 175.470 -2.043 1
1 360 . 10 1 1 A 30 30 SER CA C 30 55.011 58.788 -3.777 1
1 361 . 10 1 1 A 30 30 SER CB C 30 64.446 63.710 0.736 1
1 362 . 10 1 1 A 30 30 SER N N 30 121.114 120.786 0.328 1
1 363 . 10 1 1 A 31 31 ARG H H 31 8.992 9.305 -0.313 1
1 364 . 10 1 1 A 31 31 ARG HA H 31 3.923 3.891 0.032 1
1 371 . 10 1 1 A 31 31 ARG C C 31 177.027 178.077 -1.050 1
1 372 . 10 1 1 A 31 31 ARG CA C 31 59.408 59.983 -0.575 1
1 373 . 10 1 1 A 31 31 ARG CB C 31 29.041 30.167 -1.126 1
1 376 . 10 1 1 A 31 31 ARG N N 31 120.513 126.046 -5.533 1
1 377 . 10 1 1 A 32 32 LYS H H 32 7.845 8.171 -0.326 1
1 378 . 10 1 1 A 32 32 LYS HA H 32 3.826 4.032 -0.206 1
1 387 . 10 1 1 A 32 32 LYS C C 32 178.927 178.445 0.482 1
1 388 . 10 1 1 A 32 32 LYS CA C 32 58.677 59.100 -0.423 1
1 389 . 10 1 1 A 32 32 LYS CB C 32 31.964 31.936 0.028 1
1 393 . 10 1 1 A 32 32 LYS N N 32 117.011 118.028 -1.017 1
1 394 . 10 1 1 A 33 33 GLU H H 33 7.612 8.278 -0.666 1
1 395 . 10 1 1 A 33 33 GLU HA H 33 3.954 4.099 -0.145 1
1 400 . 10 1 1 A 33 33 GLU C C 33 177.227 179.339 -2.112 1
1 401 . 10 1 1 A 33 33 GLU CA C 33 58.289 59.089 -0.800 1
1 402 . 10 1 1 A 33 33 GLU CB C 33 29.757 29.770 -0.013 1
1 404 . 10 1 1 A 33 33 GLU N N 33 120.815 119.426 1.389 1
1 405 . 10 1 1 A 34 34 LEU H H 34 8.694 8.253 0.441 1
1 406 . 10 1 1 A 34 34 LEU HA H 34 3.811 3.957 -0.146 1
1 416 . 10 1 1 A 34 34 LEU C C 34 176.927 178.258 -1.331 1
1 417 . 10 1 1 A 34 34 LEU CA C 34 57.025 57.628 -0.603 1
1 418 . 10 1 1 A 34 34 LEU CB C 34 40.638 41.516 -0.878 1
1 422 . 10 1 1 A 34 34 LEU N N 34 119.291 121.160 -1.869 1
1 423 . 10 1 1 A 35 35 LYS H H 35 8.114 8.197 -0.083 1
1 424 . 10 1 1 A 35 35 LYS HA H 35 3.569 3.799 -0.230 1
1 433 . 10 1 1 A 35 35 LYS C C 35 177.027 178.795 -1.768 1
1 434 . 10 1 1 A 35 35 LYS CA C 35 59.419 59.917 -0.498 1
1 435 . 10 1 1 A 35 35 LYS CB C 35 31.271 32.151 -0.880 1
1 439 . 10 1 1 A 35 35 LYS N N 35 117.277 119.170 -1.893 1
1 440 . 10 1 1 A 36 36 GLU H H 36 7.560 7.482 0.078 1
1 441 . 10 1 1 A 36 36 GLU HA H 36 3.845 4.104 -0.259 1
1 446 . 10 1 1 A 36 36 GLU C C 36 175.827 178.508 -2.681 1
1 447 . 10 1 1 A 36 36 GLU CA C 36 58.190 59.186 -0.996 1
1 448 . 10 1 1 A 36 36 GLU CB C 36 28.253 29.398 -1.145 1
1 450 . 10 1 1 A 36 36 GLU N N 36 119.302 119.169 0.133 1
1 451 . 10 1 1 A 37 37 LEU H H 37 7.682 7.973 -0.291 1
1 452 . 10 1 1 A 37 37 LEU HA H 37 2.280 3.598 -1.318 1
1 462 . 10 1 1 A 37 37 LEU C C 37 178.327 178.459 -0.132 1
1 463 . 10 1 1 A 37 37 LEU CA C 37 58.225 58.158 0.067 1
1 464 . 10 1 1 A 37 37 LEU CB C 37 41.090 41.037 0.053 1
1 468 . 10 1 1 A 37 37 LEU N N 37 121.690 120.616 1.074 1
1 469 . 10 1 1 A 38 38 ILE H H 38 8.157 8.042 0.115 1
1 470 . 10 1 1 A 38 38 ILE HA H 38 3.292 3.641 -0.349 1
1 480 . 10 1 1 A 38 38 ILE C C 38 177.027 178.278 -1.251 1
1 481 . 10 1 1 A 38 38 ILE CA C 38 65.007 65.475 -0.468 1
1 482 . 10 1 1 A 38 38 ILE CB C 38 37.187 38.019 -0.832 1
1 486 . 10 1 1 A 38 38 ILE N N 38 117.626 120.059 -2.433 1
1 487 . 10 1 1 A 39 39 LYS H H 39 8.068 8.249 -0.181 1
1 488 . 10 1 1 A 39 39 LYS HA H 39 3.876 4.165 -0.289 1
1 497 . 10 1 1 A 39 39 LYS C C 39 177.927 177.519 0.408 1
1 498 . 10 1 1 A 39 39 LYS CA C 39 58.204 58.409 -0.205 1
1 499 . 10 1 1 A 39 39 LYS CB C 39 31.731 31.967 -0.236 1
1 503 . 10 1 1 A 39 39 LYS N N 39 117.909 120.340 -2.431 1
1 504 . 10 1 1 A 40 40 LYS H H 40 8.094 7.513 0.581 1
1 505 . 10 1 1 A 40 40 LYS HA H 40 4.248 4.312 -0.064 1
1 514 . 10 1 1 A 40 40 LYS C C 40 178.227 178.548 -0.321 1
1 515 . 10 1 1 A 40 40 LYS CA C 40 56.291 58.188 -1.897 1
1 516 . 10 1 1 A 40 40 LYS CB C 40 32.652 33.256 -0.604 1
1 520 . 10 1 1 A 40 40 LYS N N 40 114.323 118.319 -3.996 1
1 521 . 10 1 1 A 41 41 GLU H H 41 8.381 7.832 0.549 1
1 522 . 10 1 1 A 41 41 GLU HA H 41 4.744 4.366 0.378 1
1 527 . 10 1 1 A 41 41 GLU C C 41 176.227 177.912 -1.685 1
1 528 . 10 1 1 A 41 41 GLU CA C 41 55.054 58.413 -3.359 1
1 529 . 10 1 1 A 41 41 GLU CB C 41 29.598 30.546 -0.948 1
1 531 . 10 1 1 A 41 41 GLU N N 41 113.079 118.510 -5.431 1
1 532 . 10 1 1 A 42 42 LEU H H 42 7.544 7.721 -0.177 1
1 533 . 10 1 1 A 42 42 LEU HA H 42 4.754 4.596 0.158 1
1 542 . 10 1 1 A 42 42 LEU CA C 42 52.564 54.034 -1.470 1
1 543 . 10 1 1 A 42 42 LEU CB C 42 43.848 39.729 4.119 1
1 546 . 10 1 1 A 42 42 LEU N N 42 118.458 119.404 -0.946 1
1 547 . 10 1 1 A 43 43 CYS H H 43 8.342 8.438 -0.096 1
1 548 . 10 1 1 A 43 43 CYS HA H 43 4.486 4.236 0.250 1
1 551 . 10 1 1 A 43 43 CYS C C 43 174.327 175.729 -1.402 1
1 552 . 10 1 1 A 43 43 CYS CA C 43 57.655 61.485 -3.830 1
1 553 . 10 1 1 A 43 43 CYS CB C 43 25.653 26.514 -0.861 1
1 554 . 10 1 1 A 44 44 LEU H H 44 8.123 7.882 0.241 1
1 555 . 10 1 1 A 44 44 LEU HA H 44 4.339 4.606 -0.267 1
1 565 . 10 1 1 A 44 44 LEU C C 44 176.927 176.984 -0.057 1
1 566 . 10 1 1 A 44 44 LEU CA C 44 53.750 54.896 -1.146 1
1 567 . 10 1 1 A 44 44 LEU CB C 44 40.784 42.125 -1.341 1
1 571 . 10 1 1 A 44 44 LEU N N 44 121.974 114.566 7.408 1
1 572 . 10 1 1 A 45 45 GLY H H 45 8.072 8.093 -0.021 1
1 573 . 10 1 1 A 45 45 GLY HA2 H 45 3.889 3.944 -0.055 1
1 574 . 10 1 1 A 45 45 GLY HA3 H 45 3.698 4.003 -0.305 1
1 575 . 10 1 1 A 45 45 GLY C C 45 173.127 173.897 -0.770 1
1 576 . 10 1 1 A 45 45 GLY CA C 45 44.291 45.390 -1.099 1
1 577 . 10 1 1 A 45 45 GLY N N 45 107.819 108.499 -0.680 1
1 578 . 10 1 1 A 46 46 GLU H H 46 8.472 9.122 -0.650 1
1 579 . 10 1 1 A 46 46 GLU HA H 46 4.048 4.424 -0.376 1
1 584 . 10 1 1 A 46 46 GLU C C 46 175.727 175.700 0.027 1
1 585 . 10 1 1 A 46 46 GLU CA C 46 56.461 55.856 0.605 1
1 586 . 10 1 1 A 46 46 GLU CB C 46 28.208 27.936 0.272 1
1 588 . 10 1 1 A 46 46 GLU N N 46 120.563 123.478 -2.915 1
1 589 . 10 1 1 A 47 47 MET H H 47 8.189 8.217 -0.028 1
1 590 . 10 1 1 A 47 47 MET HA H 47 4.413 4.600 -0.187 1
1 598 . 10 1 1 A 47 47 MET C C 47 175.027 175.084 -0.057 1
1 599 . 10 1 1 A 47 47 MET CA C 47 53.905 54.422 -0.517 1
1 600 . 10 1 1 A 47 47 MET CB C 47 32.611 31.029 1.582 1
1 603 . 10 1 1 A 47 47 MET N N 47 123.201 123.145 0.056 1
1 604 . 10 1 1 A 48 48 LYS H H 48 8.355 7.976 0.379 1
1 605 . 10 1 1 A 48 48 LYS HA H 48 4.237 4.233 0.004 1
1 614 . 10 1 1 A 48 48 LYS C C 48 177.027 177.504 -0.477 1
1 615 . 10 1 1 A 48 48 LYS CA C 48 55.443 56.514 -1.071 1
1 616 . 10 1 1 A 48 48 LYS CB C 48 32.173 32.655 -0.482 1
1 620 . 10 1 1 A 48 48 LYS N N 48 123.046 123.118 -0.072 1
1 621 . 10 1 1 A 49 49 GLU H H 49 8.742 9.160 -0.418 1
1 622 . 10 1 1 A 49 49 GLU HA H 49 3.884 3.980 -0.096 1
1 627 . 10 1 1 A 49 49 GLU C C 49 177.727 177.867 -0.140 1
1 628 . 10 1 1 A 49 49 GLU CA C 49 58.534 59.947 -1.413 1
1 629 . 10 1 1 A 49 49 GLU CB C 49 27.870 29.282 -1.412 1
1 631 . 10 1 1 A 49 49 GLU N N 49 122.407 127.579 -5.172 1
1 632 . 10 1 1 A 50 50 SER H H 50 8.324 7.901 0.423 1
1 633 . 10 1 1 A 50 50 SER HA H 50 4.188 4.182 0.006 1
1 636 . 10 1 1 A 50 50 SER C C 50 175.427 177.001 -1.574 1
1 637 . 10 1 1 A 50 50 SER CA C 50 59.402 61.192 -1.790 1
1 638 . 10 1 1 A 50 50 SER CB C 50 61.442 63.264 -1.822 1
1 639 . 10 1 1 A 50 50 SER N N 50 112.475 114.643 -2.168 1
1 640 . 10 1 1 A 51 51 SER H H 51 7.400 8.089 -0.689 1
1 641 . 10 1 1 A 51 51 SER HA H 51 3.926 4.289 -0.363 1
1 644 . 10 1 1 A 51 51 SER C C 51 176.027 176.947 -0.920 1
1 645 . 10 1 1 A 51 51 SER CA C 51 59.762 61.022 -1.260 1
1 646 . 10 1 1 A 51 51 SER CB C 51 60.955 63.170 -2.215 1
1 647 . 10 1 1 A 51 51 SER N N 51 118.432 115.556 2.876 1
1 648 . 10 1 1 A 52 52 ILE H H 52 7.790 8.275 -0.485 1
1 649 . 10 1 1 A 52 52 ILE HA H 52 3.642 3.564 0.078 1
1 659 . 10 1 1 A 52 52 ILE C C 52 176.427 178.175 -1.748 1
1 660 . 10 1 1 A 52 52 ILE CA C 52 61.984 65.186 -3.202 1
1 661 . 10 1 1 A 52 52 ILE CB C 52 34.990 37.692 -2.702 1
1 665 . 10 1 1 A 52 52 ILE N N 52 123.838 122.141 1.697 1
1 666 . 10 1 1 A 53 53 ASP H H 53 8.092 7.951 0.141 1
1 667 . 10 1 1 A 53 53 ASP HA H 53 4.225 4.271 -0.046 1
1 670 . 10 1 1 A 53 53 ASP C C 53 178.227 178.115 0.112 1
1 671 . 10 1 1 A 53 53 ASP CA C 53 56.606 57.278 -0.672 1
1 672 . 10 1 1 A 53 53 ASP CB C 53 39.034 41.104 -2.070 1
1 673 . 10 1 1 A 53 53 ASP N N 53 121.313 121.535 -0.222 1
1 674 . 10 1 1 A 54 54 ASP H H 54 7.811 7.536 0.275 1
1 675 . 10 1 1 A 54 54 ASP HA H 54 4.253 4.499 -0.246 1
1 678 . 10 1 1 A 54 54 ASP C C 54 177.927 178.484 -0.557 1
1 679 . 10 1 1 A 54 54 ASP CA C 54 56.467 56.873 -0.406 1
1 680 . 10 1 1 A 54 54 ASP CB C 54 39.401 40.639 -1.238 1
1 681 . 10 1 1 A 54 54 ASP N N 54 120.122 117.954 2.168 1
1 682 . 10 1 1 A 55 55 LEU H H 55 7.789 7.979 -0.190 1
1 683 . 10 1 1 A 55 55 LEU HA H 55 3.979 4.080 -0.101 1
1 693 . 10 1 1 A 55 55 LEU C C 55 178.027 178.551 -0.524 1
1 694 . 10 1 1 A 55 55 LEU CA C 55 56.713 58.252 -1.539 1
1 695 . 10 1 1 A 55 55 LEU CB C 55 40.799 41.634 -0.835 1
1 699 . 10 1 1 A 55 55 LEU N N 55 122.944 122.010 0.934 1
1 700 . 10 1 1 A 56 56 MET H H 56 8.601 8.524 0.077 1
1 701 . 10 1 1 A 56 56 MET HA H 56 3.827 4.058 -0.231 1
1 709 . 10 1 1 A 56 56 MET C C 56 177.027 178.050 -1.023 1
1 710 . 10 1 1 A 56 56 MET CA C 56 57.116 58.459 -1.343 1
1 711 . 10 1 1 A 56 56 MET CB C 56 29.825 31.799 -1.974 1
1 714 . 10 1 1 A 56 56 MET N N 56 117.863 119.252 -1.389 1
1 715 . 10 1 1 A 57 57 LYS H H 57 7.693 8.200 -0.507 1
1 716 . 10 1 1 A 57 57 LYS HA H 57 3.954 4.111 -0.157 1
1 725 . 10 1 1 A 57 57 LYS C C 57 178.127 178.851 -0.724 1
1 726 . 10 1 1 A 57 57 LYS CA C 57 58.352 59.116 -0.764 1
1 727 . 10 1 1 A 57 57 LYS CB C 57 31.315 32.335 -1.020 1
1 731 . 10 1 1 A 57 57 LYS N N 57 116.455 119.268 -2.813 1
1 732 . 10 1 1 A 58 58 SER H H 58 7.661 7.745 -0.084 1
1 733 . 10 1 1 A 58 58 SER HA H 58 4.115 4.397 -0.282 1
1 736 . 10 1 1 A 58 58 SER C C 58 174.827 176.009 -1.182 1
1 737 . 10 1 1 A 58 58 SER CA C 58 59.986 60.803 -0.817 1
1 738 . 10 1 1 A 58 58 SER CB C 58 62.464 63.249 -0.785 1
1 739 . 10 1 1 A 58 58 SER N N 58 113.020 116.876 -3.856 1
1 740 . 10 1 1 A 59 59 LEU H H 59 7.917 7.584 0.333 1
1 741 . 10 1 1 A 59 59 LEU HA H 59 4.269 4.190 0.079 1
1 751 . 10 1 1 A 59 59 LEU C C 59 177.627 177.811 -0.184 1
1 752 . 10 1 1 A 59 59 LEU CA C 59 54.402 57.769 -3.367 1
1 753 . 10 1 1 A 59 59 LEU CB C 59 43.731 42.349 1.382 1
1 757 . 10 1 1 A 59 59 LEU N N 59 117.463 119.510 -2.047 1
1 758 . 10 1 1 A 60 60 ASP H H 60 8.025 8.393 -0.368 1
1 759 . 10 1 1 A 60 60 ASP HA H 60 4.566 4.899 -0.333 1
1 762 . 10 1 1 A 60 60 ASP C C 60 176.627 176.532 0.095 1
1 763 . 10 1 1 A 60 60 ASP CA C 60 52.335 53.421 -1.086 1
1 764 . 10 1 1 A 60 60 ASP CB C 60 38.139 40.340 -2.201 1
1 765 . 10 1 1 A 60 60 ASP N N 60 117.588 117.791 -0.203 1
1 766 . 10 1 1 A 61 61 LYS H H 61 8.100 8.162 -0.062 1
1 767 . 10 1 1 A 61 61 LYS HA H 61 4.035 4.245 -0.210 1
1 776 . 10 1 1 A 61 61 LYS C C 61 176.727 177.857 -1.130 1
1 777 . 10 1 1 A 61 61 LYS CA C 61 56.887 57.772 -0.885 1
1 778 . 10 1 1 A 61 61 LYS CB C 61 31.653 32.178 -0.525 1
1 782 . 10 1 1 A 61 61 LYS N N 61 126.943 125.798 1.145 1
1 783 . 10 1 1 A 62 62 ASN H H 62 7.864 7.499 0.365 1
1 784 . 10 1 1 A 62 62 ASN HA H 62 4.759 4.738 0.021 1
1 789 . 10 1 1 A 62 62 ASN C C 62 173.727 175.514 -1.787 1
1 790 . 10 1 1 A 62 62 ASN CA C 62 50.660 54.150 -3.490 1
1 791 . 10 1 1 A 62 62 ASN CB C 62 35.920 39.047 -3.127 1
1 792 . 10 1 1 A 62 62 ASN N N 62 113.588 116.503 -2.915 1
1 794 . 10 1 1 A 63 63 SER H H 63 7.613 8.099 -0.486 1
1 795 . 10 1 1 A 63 63 SER HA H 63 3.962 4.125 -0.163 1
1 798 . 10 1 1 A 63 63 SER C C 63 172.927 174.871 -1.944 1
1 799 . 10 1 1 A 63 63 SER CA C 63 58.262 59.391 -1.129 1
1 800 . 10 1 1 A 63 63 SER CB C 63 60.708 62.677 -1.969 1
1 801 . 10 1 1 A 63 63 SER N N 63 111.592 113.412 -1.820 1
1 802 . 10 1 1 A 64 64 ASP H H 64 8.217 8.076 0.141 1
1 803 . 10 1 1 A 64 64 ASP HA H 64 4.653 4.533 0.120 1
1 806 . 10 1 1 A 64 64 ASP C C 64 175.927 176.547 -0.620 1
1 807 . 10 1 1 A 64 64 ASP CA C 64 51.641 53.538 -1.897 1
1 808 . 10 1 1 A 64 64 ASP CB C 64 39.385 40.683 -1.298 1
1 809 . 10 1 1 A 64 64 ASP N N 64 118.913 120.663 -1.750 1
1 810 . 10 1 1 A 65 65 GLN H H 65 10.239 7.793 2.446 1
1 811 . 10 1 1 A 65 65 GLN HA H 65 3.356 3.932 -0.576 1
1 818 . 10 1 1 A 65 65 GLN C C 65 172.627 174.597 -1.970 1
1 819 . 10 1 1 A 65 65 GLN CA C 65 56.325 57.484 -1.159 1
1 820 . 10 1 1 A 65 65 GLN CB C 65 24.910 26.637 -1.727 1
1 822 . 10 1 1 A 65 65 GLN N N 65 114.908 114.297 0.611 1
1 824 . 10 1 1 A 66 66 GLU H H 66 7.710 8.028 -0.318 1
1 825 . 10 1 1 A 66 66 GLU HA H 66 4.691 4.760 -0.069 1
1 830 . 10 1 1 A 66 66 GLU C C 66 174.127 175.642 -1.515 1
1 831 . 10 1 1 A 66 66 GLU CA C 66 52.987 55.209 -2.222 1
1 832 . 10 1 1 A 66 66 GLU CB C 66 32.433 31.775 0.658 1
1 834 . 10 1 1 A 66 66 GLU N N 66 115.721 118.615 -2.894 1
1 835 . 10 1 1 A 67 67 ILE H H 67 9.938 8.800 1.138 1
1 836 . 10 1 1 A 67 67 ILE HA H 67 5.291 4.460 0.831 1
1 846 . 10 1 1 A 67 67 ILE C C 67 175.627 175.224 0.403 1
1 847 . 10 1 1 A 67 67 ILE CA C 67 56.241 60.842 -4.601 1
1 848 . 10 1 1 A 67 67 ILE CB C 67 35.492 38.443 -2.951 1
1 852 . 10 1 1 A 67 67 ILE N N 67 125.901 125.148 0.753 1
1 853 . 10 1 1 A 68 68 ASP H H 68 8.794 8.717 0.077 1
1 854 . 10 1 1 A 68 68 ASP HA H 68 5.002 4.812 0.190 1
1 857 . 10 1 1 A 68 68 ASP C C 68 174.427 177.345 -2.918 1
1 858 . 10 1 1 A 68 68 ASP CA C 68 51.563 54.054 -2.491 1
1 859 . 10 1 1 A 68 68 ASP CB C 68 40.493 42.136 -1.643 1
1 860 . 10 1 1 A 68 68 ASP N N 68 127.844 128.338 -0.494 1
1 861 . 10 1 1 A 69 69 PHE H H 69 9.068 9.175 -0.107 1
1 862 . 10 1 1 A 69 69 PHE HA H 69 3.130 4.457 -1.327 1
1 869 . 10 1 1 A 69 69 PHE C C 69 176.827 177.988 -1.161 1
1 870 . 10 1 1 A 69 69 PHE CA C 69 62.478 62.294 0.184 1
1 871 . 10 1 1 A 69 69 PHE CB C 69 38.096 39.432 -1.336 1
1 872 . 10 1 1 A 69 69 PHE N N 69 118.955 126.540 -7.585 1
1 873 . 10 1 1 A 70 70 LYS H H 70 8.123 7.980 0.143 1
1 874 . 10 1 1 A 70 70 LYS HA H 70 3.871 4.282 -0.411 1
1 883 . 10 1 1 A 70 70 LYS C C 70 179.527 178.652 0.875 1
1 884 . 10 1 1 A 70 70 LYS CA C 70 59.457 58.430 1.027 1
1 885 . 10 1 1 A 70 70 LYS CB C 70 30.772 31.401 -0.629 1
1 889 . 10 1 1 A 70 70 LYS N N 70 120.287 118.017 2.270 1
1 890 . 10 1 1 A 71 71 GLU H H 71 8.746 8.286 0.460 1
1 891 . 10 1 1 A 71 71 GLU HA H 71 4.099 4.193 -0.094 1
1 896 . 10 1 1 A 71 71 GLU C C 71 179.127 178.907 0.220 1
1 897 . 10 1 1 A 71 71 GLU CA C 71 57.934 59.050 -1.116 1
1 898 . 10 1 1 A 71 71 GLU CB C 71 29.266 29.868 -0.602 1
1 900 . 10 1 1 A 71 71 GLU N N 71 122.207 118.923 3.284 1
1 901 . 10 1 1 A 72 72 TYR H H 72 8.879 8.408 0.471 1
1 902 . 10 1 1 A 72 72 TYR HA H 72 4.010 4.203 -0.193 1
1 909 . 10 1 1 A 72 72 TYR C C 72 175.927 177.592 -1.665 1
1 910 . 10 1 1 A 72 72 TYR CA C 72 58.551 61.705 -3.154 1
1 911 . 10 1 1 A 72 72 TYR CB C 72 38.072 38.541 -0.469 1
1 912 . 10 1 1 A 72 72 TYR N N 72 121.813 122.636 -0.823 1
1 913 . 10 1 1 A 73 73 SER H H 73 8.414 8.115 0.299 1
1 914 . 10 1 1 A 73 73 SER HA H 73 3.462 4.251 -0.789 1
1 917 . 10 1 1 A 73 73 SER C C 73 175.127 176.049 -0.922 1
1 918 . 10 1 1 A 73 73 SER CA C 73 61.876 62.178 -0.302 1
1 919 . 10 1 1 A 73 73 SER CB C 73 61.327 63.223 -1.896 1
1 920 . 10 1 1 A 73 73 SER N N 73 117.840 116.390 1.450 1
1 921 . 10 1 1 A 74 74 VAL H H 74 7.363 8.427 -1.064 1
1 922 . 10 1 1 A 74 74 VAL HA H 74 3.584 3.733 -0.149 1
1 930 . 10 1 1 A 74 74 VAL C C 74 178.027 178.251 -0.224 1
1 931 . 10 1 1 A 74 74 VAL CA C 74 65.397 66.269 -0.872 1
1 932 . 10 1 1 A 74 74 VAL CB C 74 30.300 31.822 -1.522 1
1 935 . 10 1 1 A 74 74 VAL N N 74 123.439 121.963 1.476 1
1 936 . 10 1 1 A 75 75 PHE H H 75 7.282 8.358 -1.076 1
1 937 . 10 1 1 A 75 75 PHE HA H 75 4.562 4.095 0.467 1
1 945 . 10 1 1 A 75 75 PHE C C 75 176.127 176.831 -0.704 1
1 946 . 10 1 1 A 75 75 PHE CA C 75 57.851 61.005 -3.154 1
1 947 . 10 1 1 A 75 75 PHE CB C 75 36.863 38.939 -2.076 1
1 948 . 10 1 1 A 75 75 PHE N N 75 122.766 120.565 2.201 1
1 949 . 10 1 1 A 76 76 LEU H H 76 7.823 8.418 -0.595 1
1 950 . 10 1 1 A 76 76 LEU HA H 76 3.445 3.505 -0.060 1
1 960 . 10 1 1 A 76 76 LEU C C 76 178.927 179.403 -0.476 1
1 961 . 10 1 1 A 76 76 LEU CA C 76 56.891 57.608 -0.717 1
1 962 . 10 1 1 A 76 76 LEU CB C 76 39.917 41.016 -1.099 1
1 966 . 10 1 1 A 76 76 LEU N N 76 115.619 119.083 -3.464 1
1 967 . 10 1 1 A 77 77 THR H H 77 7.858 8.168 -0.310 1
1 968 . 10 1 1 A 77 77 THR HA H 77 3.665 3.854 -0.189 1
1 974 . 10 1 1 A 77 77 THR C C 77 175.427 176.784 -1.357 1
1 975 . 10 1 1 A 77 77 THR CA C 77 66.127 66.668 -0.541 1
1 976 . 10 1 1 A 77 77 THR CB C 77 67.585 68.644 -1.059 1
1 978 . 10 1 1 A 77 77 THR N N 77 113.417 115.757 -2.340 1
1 979 . 10 1 1 A 78 78 MET H H 78 7.970 8.010 -0.040 1
1 980 . 10 1 1 A 78 78 MET HA H 78 3.935 4.008 -0.073 1
1 988 . 10 1 1 A 78 78 MET C C 78 179.127 178.845 0.282 1
1 989 . 10 1 1 A 78 78 MET CA C 78 58.780 58.833 -0.053 1
1 990 . 10 1 1 A 78 78 MET CB C 78 31.501 32.644 -1.143 1
1 993 . 10 1 1 A 78 78 MET N N 78 122.745 118.243 4.502 1
1 994 . 10 1 1 A 79 79 LEU H H 79 7.898 8.103 -0.205 1
1 995 . 10 1 1 A 79 79 LEU HA H 79 3.870 3.921 -0.051 1
1 1005 . 10 1 1 A 79 79 LEU C C 79 178.427 178.546 -0.119 1
1 1006 . 10 1 1 A 79 79 LEU CA C 79 56.843 57.985 -1.142 1
1 1007 . 10 1 1 A 79 79 LEU CB C 79 41.099 41.624 -0.525 1
1 1011 . 10 1 1 A 79 79 LEU N N 79 120.989 119.265 1.724 1
1 1012 . 10 1 1 A 80 80 CYS H H 80 8.400 8.388 0.012 1
1 1013 . 10 1 1 A 80 80 CYS HA H 80 3.830 4.081 -0.251 1
1 1017 . 10 1 1 A 80 80 CYS C C 80 175.927 177.447 -1.520 1
1 1018 . 10 1 1 A 80 80 CYS CA C 80 64.044 62.706 1.338 1
1 1019 . 10 1 1 A 80 80 CYS CB C 80 25.626 27.276 -1.650 1
1 1020 . 10 1 1 A 80 80 CYS N N 80 117.746 118.022 -0.276 1
1 1021 . 10 1 1 A 81 81 MET H H 81 8.295 8.514 -0.219 1
1 1022 . 10 1 1 A 81 81 MET HA H 81 4.023 4.216 -0.193 1
1 1030 . 10 1 1 A 81 81 MET C C 81 177.327 178.216 -0.889 1
1 1031 . 10 1 1 A 81 81 MET CA C 81 57.601 58.590 -0.989 1
1 1032 . 10 1 1 A 81 81 MET CB C 81 30.668 32.293 -1.625 1
1 1035 . 10 1 1 A 81 81 MET N N 81 117.598 119.261 -1.663 1
1 1036 . 10 1 1 A 82 82 ALA H H 82 7.624 7.975 -0.351 1
1 1037 . 10 1 1 A 82 82 ALA HA H 82 4.061 4.065 -0.004 1
1 1041 . 10 1 1 A 82 82 ALA C C 82 179.627 179.647 -0.020 1
1 1042 . 10 1 1 A 82 82 ALA CA C 82 53.856 55.420 -1.564 1
1 1043 . 10 1 1 A 82 82 ALA CB C 82 16.794 18.630 -1.836 1
1 1044 . 10 1 1 A 82 82 ALA N N 82 121.886 121.701 0.185 1
1 1045 . 10 1 1 A 83 83 TYR H H 83 8.476 7.966 0.510 1
1 1046 . 10 1 1 A 83 83 TYR HA H 83 4.147 4.431 -0.284 1
1 1053 . 10 1 1 A 83 83 TYR C C 83 178.127 177.960 0.167 1
1 1054 . 10 1 1 A 83 83 TYR CA C 83 60.066 61.641 -1.575 1
1 1055 . 10 1 1 A 83 83 TYR CB C 83 36.546 37.459 -0.913 1
1 1056 . 10 1 1 A 83 83 TYR N N 83 119.136 116.300 2.836 1
1 1057 . 10 1 1 A 84 84 ASN H H 84 8.386 8.123 0.263 1
1 1058 . 10 1 1 A 84 84 ASN HA H 84 4.221 4.452 -0.231 1
1 1063 . 10 1 1 A 84 84 ASN C C 84 175.427 177.366 -1.939 1
1 1064 . 10 1 1 A 84 84 ASN CA C 84 56.123 56.934 -0.811 1
1 1065 . 10 1 1 A 84 84 ASN CB C 84 37.387 39.227 -1.840 1
1 1066 . 10 1 1 A 84 84 ASN N N 84 120.692 119.598 1.094 1
1 1068 . 10 1 1 A 85 85 ASP H H 85 7.611 7.609 0.002 1
1 1069 . 10 1 1 A 85 85 ASP HA H 85 4.234 4.446 -0.212 1
1 1072 . 10 1 1 A 85 85 ASP C C 85 178.227 178.356 -0.129 1
1 1073 . 10 1 1 A 85 85 ASP CA C 85 56.752 57.185 -0.433 1
1 1074 . 10 1 1 A 85 85 ASP CB C 85 38.688 41.144 -2.456 1
1 1075 . 10 1 1 A 85 85 ASP N N 85 118.378 119.100 -0.722 1
1 1076 . 10 1 1 A 86 86 PHE H H 86 7.538 8.113 -0.575 1
1 1077 . 10 1 1 A 86 86 PHE HA H 86 4.291 4.225 0.066 1
1 1084 . 10 1 1 A 86 86 PHE C C 86 176.627 177.417 -0.790 1
1 1085 . 10 1 1 A 86 86 PHE CA C 86 58.743 61.380 -2.637 1
1 1086 . 10 1 1 A 86 86 PHE CB C 86 37.488 38.746 -1.258 1
1 1087 . 10 1 1 A 86 86 PHE N N 86 118.712 120.272 -1.560 1
1 1088 . 10 1 1 A 87 87 PHE H H 87 8.132 8.401 -0.269 1
1 1089 . 10 1 1 A 87 87 PHE HA H 87 3.906 4.125 -0.219 1
1 1096 . 10 1 1 A 87 87 PHE C C 87 176.627 177.099 -0.472 1
1 1097 . 10 1 1 A 87 87 PHE CA C 87 59.554 61.623 -2.069 1
1 1098 . 10 1 1 A 87 87 PHE CB C 87 38.017 39.401 -1.384 1
1 1099 . 10 1 1 A 87 87 PHE N N 87 121.649 119.547 2.102 1
1 1100 . 10 1 1 A 88 88 LEU H H 88 7.953 8.136 -0.183 1
1 1101 . 10 1 1 A 88 88 LEU HA H 88 3.775 4.040 -0.265 1
1 1111 . 10 1 1 A 88 88 LEU C C 88 177.627 179.509 -1.882 1
1 1112 . 10 1 1 A 88 88 LEU CA C 88 55.078 57.761 -2.683 1
1 1113 . 10 1 1 A 88 88 LEU CB C 88 41.226 41.276 -0.050 1
1 1117 . 10 1 1 A 88 88 LEU N N 88 118.897 119.064 -0.167 1
1 1118 . 10 1 1 A 89 89 GLU H H 89 7.475 8.490 -1.015 1
1 1119 . 10 1 1 A 89 89 GLU HA H 89 3.914 4.001 -0.087 1
1 1124 . 10 1 1 A 89 89 GLU C C 89 176.127 179.043 -2.916 1
1 1125 . 10 1 1 A 89 89 GLU CA C 89 56.926 59.709 -2.783 1
1 1126 . 10 1 1 A 89 89 GLU CB C 89 28.567 29.034 -0.467 1
1 1128 . 10 1 1 A 89 89 GLU N N 89 119.332 119.431 -0.099 1
1 1129 . 10 1 1 A 90 90 ASP H H 90 7.750 8.413 -0.663 1
1 1130 . 10 1 1 A 90 90 ASP HA H 90 4.370 4.431 -0.061 1
1 1133 . 10 1 1 A 90 90 ASP C C 90 175.227 177.747 -2.520 1
1 1134 . 10 1 1 A 90 90 ASP CA C 90 53.593 56.642 -3.049 1
1 1135 . 10 1 1 A 90 90 ASP CB C 90 40.323 40.556 -0.233 1
1 1136 . 10 1 1 A 90 90 ASP N N 90 118.945 119.097 -0.152 1
1 1137 . 10 1 1 A 91 91 ASN H H 91 7.681 7.501 0.180 1
1 1138 . 10 1 1 A 91 91 ASN HA H 91 4.495 4.731 -0.236 1
1 1143 . 10 1 1 A 91 91 ASN C C 91 173.027 175.280 -2.253 1
1 1144 . 10 1 1 A 91 91 ASN CA C 91 52.041 53.144 -1.103 1
1 1145 . 10 1 1 A 91 91 ASN CB C 91 38.072 38.903 -0.831 1
1 1146 . 10 1 1 A 91 91 ASN N N 91 118.171 115.687 2.484 1
1 10 . 11 1 1 A 2 2 GLU H H 2 8.776 8.892 -0.116 1
1 11 . 11 1 1 A 2 2 GLU HA H 2 4.535 4.684 -0.149 1
1 16 . 11 1 1 A 2 2 GLU C C 2 175.627 175.846 -0.219 1
1 17 . 11 1 1 A 2 2 GLU CA C 2 55.573 56.063 -0.490 1
1 18 . 11 1 1 A 2 2 GLU CB C 2 30.569 30.685 -0.116 1
1 20 . 11 1 1 A 2 2 GLU N N 2 124.305 122.492 1.813 1
1 21 . 11 1 1 A 3 3 THR H H 3 8.835 8.487 0.348 1
1 22 . 11 1 1 A 3 3 THR HA H 3 4.608 4.786 -0.178 1
1 27 . 11 1 1 A 3 3 THR CA C 3 59.187 58.863 0.324 1
1 28 . 11 1 1 A 3 3 THR CB C 3 67.385 71.051 -3.666 1
1 30 . 11 1 1 A 3 3 THR N N 3 116.176 114.195 1.981 1
1 31 . 11 1 1 A 4 4 PRO HA H 4 4.158 4.211 -0.053 1
1 38 . 11 1 1 A 4 4 PRO C C 4 179.327 177.849 1.478 1
1 39 . 11 1 1 A 4 4 PRO CA C 4 65.040 65.705 -0.665 1
1 40 . 11 1 1 A 4 4 PRO CB C 4 30.616 31.723 -1.107 1
1 43 . 11 1 1 A 5 5 LEU H H 5 8.794 7.622 1.172 1
1 44 . 11 1 1 A 5 5 LEU HA H 5 3.944 4.012 -0.068 1
1 54 . 11 1 1 A 5 5 LEU C C 5 177.327 178.487 -1.160 1
1 55 . 11 1 1 A 5 5 LEU CA C 5 56.920 57.333 -0.413 1
1 56 . 11 1 1 A 5 5 LEU CB C 5 41.139 41.776 -0.637 1
1 60 . 11 1 1 A 5 5 LEU N N 5 118.892 117.173 1.719 1
1 61 . 11 1 1 A 6 6 GLU H H 6 7.664 8.085 -0.421 1
1 62 . 11 1 1 A 6 6 GLU HA H 6 3.744 3.930 -0.186 1
1 67 . 11 1 1 A 6 6 GLU C C 6 178.827 179.290 -0.463 1
1 68 . 11 1 1 A 6 6 GLU CA C 6 59.347 59.504 -0.157 1
1 69 . 11 1 1 A 6 6 GLU CB C 6 28.700 29.547 -0.847 1
1 71 . 11 1 1 A 6 6 GLU N N 6 118.741 118.704 0.037 1
1 72 . 11 1 1 A 7 7 LYS H H 7 8.435 8.109 0.326 1
1 73 . 11 1 1 A 7 7 LYS HA H 7 3.909 3.998 -0.089 1
1 82 . 11 1 1 A 7 7 LYS C C 7 178.527 179.074 -0.547 1
1 83 . 11 1 1 A 7 7 LYS CA C 7 58.539 59.472 -0.933 1
1 84 . 11 1 1 A 7 7 LYS CB C 7 31.217 32.507 -1.290 1
1 88 . 11 1 1 A 7 7 LYS N N 7 119.285 118.093 1.192 1
1 89 . 11 1 1 A 8 8 ALA H H 8 8.008 8.017 -0.009 1
1 90 . 11 1 1 A 8 8 ALA HA H 8 4.038 4.043 -0.005 1
1 94 . 11 1 1 A 8 8 ALA C C 8 178.327 180.213 -1.886 1
1 95 . 11 1 1 A 8 8 ALA CA C 8 54.356 54.951 -0.595 1
1 96 . 11 1 1 A 8 8 ALA CB C 8 17.509 17.969 -0.460 1
1 97 . 11 1 1 A 8 8 ALA N N 8 123.866 122.504 1.362 1
1 98 . 11 1 1 A 9 9 LEU H H 9 8.163 8.645 -0.482 1
1 99 . 11 1 1 A 9 9 LEU HA H 9 3.809 3.947 -0.138 1
1 109 . 11 1 1 A 9 9 LEU C C 9 178.527 179.223 -0.696 1
1 110 . 11 1 1 A 9 9 LEU CA C 9 57.256 58.025 -0.769 1
1 111 . 11 1 1 A 9 9 LEU CB C 9 40.483 41.927 -1.444 1
1 115 . 11 1 1 A 9 9 LEU N N 9 119.134 117.836 1.298 1
1 116 . 11 1 1 A 10 10 THR H H 10 8.186 8.326 -0.140 1
1 117 . 11 1 1 A 10 10 THR HA H 10 3.741 3.932 -0.191 1
1 122 . 11 1 1 A 10 10 THR C C 10 176.727 176.499 0.228 1
1 123 . 11 1 1 A 10 10 THR CA C 10 66.345 66.535 -0.190 1
1 124 . 11 1 1 A 10 10 THR CB C 10 67.558 68.767 -1.209 1
1 126 . 11 1 1 A 10 10 THR N N 10 114.355 115.732 -1.377 1
1 127 . 11 1 1 A 11 11 THR H H 11 8.387 8.237 0.150 1
1 128 . 11 1 1 A 11 11 THR HA H 11 3.963 3.898 0.065 1
1 133 . 11 1 1 A 11 11 THR C C 11 176.827 175.712 1.115 1
1 134 . 11 1 1 A 11 11 THR CA C 11 65.801 67.105 -1.304 1
1 135 . 11 1 1 A 11 11 THR CB C 11 67.140 68.408 -1.268 1
1 137 . 11 1 1 A 11 11 THR N N 11 120.801 116.962 3.839 1
1 138 . 11 1 1 A 12 12 MET H H 12 8.299 8.470 -0.171 1
1 139 . 11 1 1 A 12 12 MET HA H 12 3.872 4.277 -0.405 1
1 147 . 11 1 1 A 12 12 MET C C 12 177.827 178.308 -0.481 1
1 148 . 11 1 1 A 12 12 MET CA C 12 59.263 58.411 0.852 1
1 149 . 11 1 1 A 12 12 MET CB C 12 31.845 32.266 -0.421 1
1 152 . 11 1 1 A 12 12 MET N N 12 124.102 120.119 3.983 1
1 153 . 11 1 1 A 13 13 VAL H H 13 7.820 8.817 -0.997 1
1 154 . 11 1 1 A 13 13 VAL HA H 13 3.937 3.899 0.038 1
1 162 . 11 1 1 A 13 13 VAL C C 13 177.127 178.795 -1.668 1
1 163 . 11 1 1 A 13 13 VAL CA C 13 65.677 66.775 -1.098 1
1 164 . 11 1 1 A 13 13 VAL CB C 13 31.656 31.671 -0.015 1
1 167 . 11 1 1 A 13 13 VAL N N 13 119.838 119.190 0.648 1
1 168 . 11 1 1 A 14 14 THR H H 14 9.107 8.414 0.693 1
1 169 . 11 1 1 A 14 14 THR HA H 14 3.654 3.983 -0.329 1
1 174 . 11 1 1 A 14 14 THR C C 14 177.527 176.985 0.542 1
1 175 . 11 1 1 A 14 14 THR CA C 14 65.273 65.956 -0.683 1
1 176 . 11 1 1 A 14 14 THR CB C 14 67.652 68.735 -1.083 1
1 178 . 11 1 1 A 14 14 THR N N 14 112.247 117.091 -4.844 1
1 179 . 11 1 1 A 15 15 THR H H 15 8.189 8.293 -0.104 1
1 180 . 11 1 1 A 15 15 THR HA H 15 3.864 4.319 -0.455 1
1 186 . 11 1 1 A 15 15 THR C C 15 173.627 176.808 -3.181 1
1 187 . 11 1 1 A 15 15 THR CA C 15 66.930 65.898 1.032 1
1 188 . 11 1 1 A 15 15 THR CB C 15 66.539 68.190 -1.651 1
1 190 . 11 1 1 A 15 15 THR N N 15 117.691 112.178 5.513 1
1 191 . 11 1 1 A 16 16 PHE H H 16 6.850 8.173 -1.323 1
1 192 . 11 1 1 A 16 16 PHE HA H 16 3.417 4.092 -0.675 1
1 199 . 11 1 1 A 16 16 PHE C C 16 175.627 177.286 -1.659 1
1 200 . 11 1 1 A 16 16 PHE CA C 16 61.577 61.420 0.157 1
1 201 . 11 1 1 A 16 16 PHE CB C 16 38.177 39.153 -0.976 1
1 202 . 11 1 1 A 16 16 PHE N N 16 120.169 124.287 -4.118 1
1 203 . 11 1 1 A 17 17 HIS H H 17 6.924 8.974 -2.050 1
1 204 . 11 1 1 A 17 17 HIS HA H 17 4.755 4.160 0.595 1
1 207 . 11 1 1 A 17 17 HIS C C 17 176.227 177.498 -1.271 1
1 208 . 11 1 1 A 17 17 HIS CA C 17 56.810 59.671 -2.861 1
1 209 . 11 1 1 A 17 17 HIS CB C 17 29.597 30.125 -0.528 1
1 210 . 11 1 1 A 17 17 HIS N N 17 115.499 117.380 -1.881 1
1 211 . 11 1 1 A 18 18 LYS H H 18 7.888 8.640 -0.752 1
1 212 . 11 1 1 A 18 18 LYS HA H 18 3.870 3.940 -0.070 1
1 221 . 11 1 1 A 18 18 LYS C C 18 176.927 178.893 -1.966 1
1 222 . 11 1 1 A 18 18 LYS CA C 18 57.897 58.956 -1.059 1
1 223 . 11 1 1 A 18 18 LYS CB C 18 31.582 32.318 -0.736 1
1 227 . 11 1 1 A 18 18 LYS N N 18 121.217 121.026 0.191 1
1 228 . 11 1 1 A 19 19 TYR H H 19 6.928 8.334 -1.406 1
1 229 . 11 1 1 A 19 19 TYR HA H 19 4.163 4.136 0.027 1
1 234 . 11 1 1 A 19 19 TYR C C 19 175.027 177.649 -2.622 1
1 235 . 11 1 1 A 19 19 TYR CA C 19 59.335 61.315 -1.980 1
1 236 . 11 1 1 A 19 19 TYR CB C 19 39.515 37.270 2.245 1
1 237 . 11 1 1 A 19 19 TYR N N 19 114.488 119.592 -5.104 1
1 238 . 11 1 1 A 20 20 SER H H 20 8.021 8.173 -0.152 1
1 239 . 11 1 1 A 20 20 SER HA H 20 3.105 4.096 -0.991 1
1 242 . 11 1 1 A 20 20 SER C C 20 176.527 176.009 0.518 1
1 243 . 11 1 1 A 20 20 SER CA C 20 60.457 60.866 -0.409 1
1 244 . 11 1 1 A 20 20 SER CB C 20 60.326 62.727 -2.401 1
1 245 . 11 1 1 A 20 20 SER N N 20 112.624 116.026 -3.402 1
1 246 . 11 1 1 A 21 21 GLY H H 21 7.908 7.758 0.150 1
1 247 . 11 1 1 A 21 21 GLY HA2 H 21 4.197 3.900 0.297 1
1 248 . 11 1 1 A 21 21 GLY HA3 H 21 3.761 3.908 -0.147 1
1 249 . 11 1 1 A 21 21 GLY C C 21 173.027 175.117 -2.090 1
1 250 . 11 1 1 A 21 21 GLY CA C 21 44.357 45.726 -1.369 1
1 251 . 11 1 1 A 21 21 GLY N N 21 112.095 107.153 4.942 1
1 252 . 11 1 1 A 22 22 ARG H H 22 7.470 7.505 -0.035 1
1 253 . 11 1 1 A 22 22 ARG HA H 22 3.956 4.047 -0.091 1
1 260 . 11 1 1 A 22 22 ARG C C 22 176.327 175.650 0.677 1
1 261 . 11 1 1 A 22 22 ARG CA C 22 58.189 58.318 -0.129 1
1 262 . 11 1 1 A 22 22 ARG CB C 22 29.483 30.911 -1.428 1
1 265 . 11 1 1 A 22 22 ARG N N 22 122.481 120.753 1.728 1
1 266 . 11 1 1 A 23 23 GLU H H 23 9.412 8.280 1.132 1
1 267 . 11 1 1 A 23 23 GLU HA H 23 4.626 4.570 0.056 1
1 272 . 11 1 1 A 23 23 GLU C C 23 175.027 176.126 -1.099 1
1 273 . 11 1 1 A 23 23 GLU CA C 23 53.319 55.960 -2.641 1
1 274 . 11 1 1 A 23 23 GLU CB C 23 32.032 32.660 -0.628 1
1 276 . 11 1 1 A 23 23 GLU N N 23 116.123 118.075 -1.952 1
1 277 . 11 1 1 A 24 24 GLY H H 24 9.080 8.736 0.344 1
1 278 . 11 1 1 A 24 24 GLY HA2 H 24 3.694 3.837 -0.143 1
1 279 . 11 1 1 A 24 24 GLY HA3 H 24 3.878 3.867 0.011 1
1 280 . 11 1 1 A 24 24 GLY C C 24 172.827 173.911 -1.084 1
1 281 . 11 1 1 A 24 24 GLY CA C 24 44.707 46.822 -2.115 1
1 282 . 11 1 1 A 24 24 GLY N N 24 114.015 115.621 -1.606 1
1 283 . 11 1 1 A 25 25 SER H H 25 8.465 8.769 -0.304 1
1 284 . 11 1 1 A 25 25 SER HA H 25 4.312 4.266 0.046 1
1 287 . 11 1 1 A 25 25 SER C C 25 178.027 174.081 3.946 1
1 288 . 11 1 1 A 25 25 SER CA C 25 57.478 59.795 -2.317 1
1 289 . 11 1 1 A 25 25 SER CB C 25 61.941 63.590 -1.649 1
1 290 . 11 1 1 A 25 25 SER N N 25 117.299 119.838 -2.539 1
1 291 . 11 1 1 A 26 26 LYS H H 26 9.532 8.669 0.863 1
1 292 . 11 1 1 A 26 26 LYS HA H 26 4.660 4.589 0.071 1
1 301 . 11 1 1 A 26 26 LYS C C 26 176.127 176.857 -0.730 1
1 302 . 11 1 1 A 26 26 LYS CA C 26 56.928 56.036 0.892 1
1 303 . 11 1 1 A 26 26 LYS CB C 26 30.526 32.179 -1.653 1
1 307 . 11 1 1 A 26 26 LYS N N 26 131.209 127.080 4.129 1
1 308 . 11 1 1 A 27 27 LEU H H 27 8.643 8.460 0.183 1
1 309 . 11 1 1 A 27 27 LEU HA H 27 4.583 4.243 0.340 1
1 319 . 11 1 1 A 27 27 LEU C C 27 174.827 175.821 -0.994 1
1 320 . 11 1 1 A 27 27 LEU CA C 27 53.205 55.846 -2.641 1
1 321 . 11 1 1 A 27 27 LEU CB C 27 41.824 44.401 -2.577 1
1 325 . 11 1 1 A 27 27 LEU N N 27 118.729 122.866 -4.137 1
1 326 . 11 1 1 A 28 28 THR H H 28 7.037 7.928 -0.891 1
1 327 . 11 1 1 A 28 28 THR HA H 28 5.168 4.667 0.501 1
1 332 . 11 1 1 A 28 28 THR C C 28 172.727 173.655 -0.928 1
1 333 . 11 1 1 A 28 28 THR CA C 28 57.915 59.255 -1.340 1
1 334 . 11 1 1 A 28 28 THR CB C 28 71.934 71.523 0.411 1
1 336 . 11 1 1 A 28 28 THR N N 28 104.663 109.611 -4.948 1
1 337 . 11 1 1 A 29 29 LEU H H 29 9.517 8.299 1.218 1
1 338 . 11 1 1 A 29 29 LEU HA H 29 5.196 4.796 0.400 1
1 348 . 11 1 1 A 29 29 LEU C C 29 175.527 176.181 -0.654 1
1 349 . 11 1 1 A 29 29 LEU CA C 29 51.653 53.540 -1.887 1
1 350 . 11 1 1 A 29 29 LEU CB C 29 42.301 42.286 0.015 1
1 354 . 11 1 1 A 29 29 LEU N N 29 125.388 123.351 2.037 1
1 355 . 11 1 1 A 30 30 SER H H 30 10.053 9.038 1.015 1
1 356 . 11 1 1 A 30 30 SER HA H 30 4.475 4.506 -0.031 1
1 359 . 11 1 1 A 30 30 SER C C 30 173.427 175.466 -2.039 1
1 360 . 11 1 1 A 30 30 SER CA C 30 55.011 58.330 -3.319 1
1 361 . 11 1 1 A 30 30 SER CB C 30 64.446 63.709 0.737 1
1 362 . 11 1 1 A 30 30 SER N N 30 121.114 120.575 0.539 1
1 363 . 11 1 1 A 31 31 ARG H H 31 8.992 8.553 0.439 1
1 364 . 11 1 1 A 31 31 ARG HA H 31 3.923 3.974 -0.051 1
1 371 . 11 1 1 A 31 31 ARG C C 31 177.027 177.181 -0.154 1
1 372 . 11 1 1 A 31 31 ARG CA C 31 59.408 59.489 -0.081 1
1 373 . 11 1 1 A 31 31 ARG CB C 31 29.041 29.981 -0.940 1
1 376 . 11 1 1 A 31 31 ARG N N 31 120.513 125.451 -4.938 1
1 377 . 11 1 1 A 32 32 LYS H H 32 7.845 7.861 -0.016 1
1 378 . 11 1 1 A 32 32 LYS HA H 32 3.826 4.340 -0.514 1
1 387 . 11 1 1 A 32 32 LYS C C 32 178.927 178.412 0.515 1
1 388 . 11 1 1 A 32 32 LYS CA C 32 58.677 56.820 1.857 1
1 389 . 11 1 1 A 32 32 LYS CB C 32 31.964 32.967 -1.003 1
1 393 . 11 1 1 A 32 32 LYS N N 32 117.011 118.339 -1.328 1
1 394 . 11 1 1 A 33 33 GLU H H 33 7.612 8.015 -0.403 1
1 395 . 11 1 1 A 33 33 GLU HA H 33 3.954 4.157 -0.203 1
1 400 . 11 1 1 A 33 33 GLU C C 33 177.227 179.176 -1.949 1
1 401 . 11 1 1 A 33 33 GLU CA C 33 58.289 59.078 -0.789 1
1 402 . 11 1 1 A 33 33 GLU CB C 33 29.757 29.309 0.448 1
1 404 . 11 1 1 A 33 33 GLU N N 33 120.815 120.419 0.396 1
1 405 . 11 1 1 A 34 34 LEU H H 34 8.694 8.177 0.517 1
1 406 . 11 1 1 A 34 34 LEU HA H 34 3.811 4.063 -0.252 1
1 416 . 11 1 1 A 34 34 LEU C C 34 176.927 178.501 -1.574 1
1 417 . 11 1 1 A 34 34 LEU CA C 34 57.025 58.109 -1.084 1
1 418 . 11 1 1 A 34 34 LEU CB C 34 40.638 41.999 -1.361 1
1 422 . 11 1 1 A 34 34 LEU N N 34 119.291 121.584 -2.293 1
1 423 . 11 1 1 A 35 35 LYS H H 35 8.114 8.197 -0.083 1
1 424 . 11 1 1 A 35 35 LYS HA H 35 3.569 3.866 -0.297 1
1 433 . 11 1 1 A 35 35 LYS C C 35 177.027 178.329 -1.302 1
1 434 . 11 1 1 A 35 35 LYS CA C 35 59.419 59.840 -0.421 1
1 435 . 11 1 1 A 35 35 LYS CB C 35 31.271 32.272 -1.001 1
1 439 . 11 1 1 A 35 35 LYS N N 35 117.277 119.012 -1.735 1
1 440 . 11 1 1 A 36 36 GLU H H 36 7.560 8.015 -0.455 1
1 441 . 11 1 1 A 36 36 GLU HA H 36 3.845 4.273 -0.428 1
1 446 . 11 1 1 A 36 36 GLU C C 36 175.827 178.714 -2.887 1
1 447 . 11 1 1 A 36 36 GLU CA C 36 58.190 58.733 -0.543 1
1 448 . 11 1 1 A 36 36 GLU CB C 36 28.253 29.506 -1.253 1
1 450 . 11 1 1 A 36 36 GLU N N 36 119.302 118.957 0.345 1
1 451 . 11 1 1 A 37 37 LEU H H 37 7.682 7.911 -0.229 1
1 452 . 11 1 1 A 37 37 LEU HA H 37 2.280 3.646 -1.366 1
1 462 . 11 1 1 A 37 37 LEU C C 37 178.327 178.781 -0.454 1
1 463 . 11 1 1 A 37 37 LEU CA C 37 58.225 58.231 -0.006 1
1 464 . 11 1 1 A 37 37 LEU CB C 37 41.090 41.525 -0.435 1
1 468 . 11 1 1 A 37 37 LEU N N 37 121.690 120.830 0.860 1
1 469 . 11 1 1 A 38 38 ILE H H 38 8.157 8.317 -0.160 1
1 470 . 11 1 1 A 38 38 ILE HA H 38 3.292 3.767 -0.475 1
1 480 . 11 1 1 A 38 38 ILE C C 38 177.027 177.926 -0.899 1
1 481 . 11 1 1 A 38 38 ILE CA C 38 65.007 65.703 -0.696 1
1 482 . 11 1 1 A 38 38 ILE CB C 38 37.187 37.800 -0.613 1
1 486 . 11 1 1 A 38 38 ILE N N 38 117.626 120.431 -2.805 1
1 487 . 11 1 1 A 39 39 LYS H H 39 8.068 7.744 0.324 1
1 488 . 11 1 1 A 39 39 LYS HA H 39 3.876 4.126 -0.250 1
1 497 . 11 1 1 A 39 39 LYS C C 39 177.927 178.102 -0.175 1
1 498 . 11 1 1 A 39 39 LYS CA C 39 58.204 58.510 -0.306 1
1 499 . 11 1 1 A 39 39 LYS CB C 39 31.731 32.385 -0.654 1
1 503 . 11 1 1 A 39 39 LYS N N 39 117.909 120.099 -2.190 1
1 504 . 11 1 1 A 40 40 LYS H H 40 8.094 8.112 -0.018 1
1 505 . 11 1 1 A 40 40 LYS HA H 40 4.248 4.302 -0.054 1
1 514 . 11 1 1 A 40 40 LYS C C 40 178.227 179.102 -0.875 1
1 515 . 11 1 1 A 40 40 LYS CA C 40 56.291 58.605 -2.314 1
1 516 . 11 1 1 A 40 40 LYS CB C 40 32.652 33.313 -0.661 1
1 520 . 11 1 1 A 40 40 LYS N N 40 114.323 118.358 -4.035 1
1 521 . 11 1 1 A 41 41 GLU H H 41 8.381 8.625 -0.244 1
1 522 . 11 1 1 A 41 41 GLU HA H 41 4.744 4.189 0.555 1
1 527 . 11 1 1 A 41 41 GLU C C 41 176.227 176.739 -0.512 1
1 528 . 11 1 1 A 41 41 GLU CA C 41 55.054 59.185 -4.131 1
1 529 . 11 1 1 A 41 41 GLU CB C 41 29.598 29.893 -0.295 1
1 531 . 11 1 1 A 41 41 GLU N N 41 113.079 120.830 -7.751 1
1 532 . 11 1 1 A 42 42 LEU H H 42 7.544 7.985 -0.441 1
1 533 . 11 1 1 A 42 42 LEU HA H 42 4.754 4.455 0.299 1
1 542 . 11 1 1 A 42 42 LEU CA C 42 52.564 55.097 -2.533 1
1 543 . 11 1 1 A 42 42 LEU CB C 42 43.848 41.505 2.343 1
1 546 . 11 1 1 A 42 42 LEU N N 42 118.458 119.515 -1.057 1
1 547 . 11 1 1 A 43 43 CYS H H 43 8.342 8.834 -0.492 1
1 548 . 11 1 1 A 43 43 CYS HA H 43 4.486 4.387 0.099 1
1 551 . 11 1 1 A 43 43 CYS C C 43 174.327 174.186 0.141 1
1 552 . 11 1 1 A 43 43 CYS CA C 43 57.655 60.122 -2.467 1
1 553 . 11 1 1 A 43 43 CYS CB C 43 25.653 27.837 -2.184 1
1 554 . 11 1 1 A 44 44 LEU H H 44 8.123 7.422 0.701 1
1 555 . 11 1 1 A 44 44 LEU HA H 44 4.339 4.695 -0.356 1
1 565 . 11 1 1 A 44 44 LEU C C 44 176.927 176.065 0.862 1
1 566 . 11 1 1 A 44 44 LEU CA C 44 53.750 52.984 0.766 1
1 567 . 11 1 1 A 44 44 LEU CB C 44 40.784 44.483 -3.699 1
1 571 . 11 1 1 A 44 44 LEU N N 44 121.974 117.436 4.538 1
1 572 . 11 1 1 A 45 45 GLY H H 45 8.072 8.728 -0.656 1
1 573 . 11 1 1 A 45 45 GLY HA2 H 45 3.889 3.865 0.024 1
1 574 . 11 1 1 A 45 45 GLY HA3 H 45 3.698 3.930 -0.232 1
1 575 . 11 1 1 A 45 45 GLY C C 45 173.127 174.211 -1.084 1
1 576 . 11 1 1 A 45 45 GLY CA C 45 44.291 45.960 -1.669 1
1 577 . 11 1 1 A 45 45 GLY N N 45 107.819 108.969 -1.150 1
1 578 . 11 1 1 A 46 46 GLU H H 46 8.472 8.477 -0.005 1
1 579 . 11 1 1 A 46 46 GLU HA H 46 4.048 4.033 0.015 1
1 584 . 11 1 1 A 46 46 GLU C C 46 175.727 176.024 -0.297 1
1 585 . 11 1 1 A 46 46 GLU CA C 46 56.461 57.520 -1.059 1
1 586 . 11 1 1 A 46 46 GLU CB C 46 28.208 27.312 0.896 1
1 588 . 11 1 1 A 46 46 GLU N N 46 120.563 112.770 7.793 1
1 589 . 11 1 1 A 47 47 MET H H 47 8.189 7.698 0.491 1
1 590 . 11 1 1 A 47 47 MET HA H 47 4.413 4.555 -0.142 1
1 598 . 11 1 1 A 47 47 MET C C 47 175.027 176.183 -1.156 1
1 599 . 11 1 1 A 47 47 MET CA C 47 53.905 55.679 -1.774 1
1 600 . 11 1 1 A 47 47 MET CB C 47 32.611 32.408 0.203 1
1 603 . 11 1 1 A 47 47 MET N N 47 123.201 118.459 4.742 1
1 604 . 11 1 1 A 48 48 LYS H H 48 8.355 7.562 0.793 1
1 605 . 11 1 1 A 48 48 LYS HA H 48 4.237 4.475 -0.238 1
1 614 . 11 1 1 A 48 48 LYS C C 48 177.027 177.718 -0.691 1
1 615 . 11 1 1 A 48 48 LYS CA C 48 55.443 55.360 0.083 1
1 616 . 11 1 1 A 48 48 LYS CB C 48 32.173 33.642 -1.469 1
1 620 . 11 1 1 A 48 48 LYS N N 48 123.046 120.662 2.384 1
1 621 . 11 1 1 A 49 49 GLU H H 49 8.742 8.704 0.038 1
1 622 . 11 1 1 A 49 49 GLU HA H 49 3.884 3.932 -0.048 1
1 627 . 11 1 1 A 49 49 GLU C C 49 177.727 178.676 -0.949 1
1 628 . 11 1 1 A 49 49 GLU CA C 49 58.534 59.956 -1.422 1
1 629 . 11 1 1 A 49 49 GLU CB C 49 27.870 29.490 -1.620 1
1 631 . 11 1 1 A 49 49 GLU N N 49 122.407 121.390 1.017 1
1 632 . 11 1 1 A 50 50 SER H H 50 8.324 7.977 0.347 1
1 633 . 11 1 1 A 50 50 SER HA H 50 4.188 4.128 0.060 1
1 636 . 11 1 1 A 50 50 SER C C 50 175.427 177.117 -1.690 1
1 637 . 11 1 1 A 50 50 SER CA C 50 59.402 61.120 -1.718 1
1 638 . 11 1 1 A 50 50 SER CB C 50 61.442 63.100 -1.658 1
1 639 . 11 1 1 A 50 50 SER N N 50 112.475 115.516 -3.041 1
1 640 . 11 1 1 A 51 51 SER H H 51 7.400 7.739 -0.339 1
1 641 . 11 1 1 A 51 51 SER HA H 51 3.926 4.269 -0.343 1
1 644 . 11 1 1 A 51 51 SER C C 51 176.027 176.007 0.020 1
1 645 . 11 1 1 A 51 51 SER CA C 51 59.762 61.501 -1.739 1
1 646 . 11 1 1 A 51 51 SER CB C 51 60.955 63.131 -2.176 1
1 647 . 11 1 1 A 51 51 SER N N 51 118.432 117.031 1.401 1
1 648 . 11 1 1 A 52 52 ILE H H 52 7.790 7.607 0.183 1
1 649 . 11 1 1 A 52 52 ILE HA H 52 3.642 3.746 -0.104 1
1 659 . 11 1 1 A 52 52 ILE C C 52 176.427 177.621 -1.194 1
1 660 . 11 1 1 A 52 52 ILE CA C 52 61.984 64.135 -2.151 1
1 661 . 11 1 1 A 52 52 ILE CB C 52 34.990 36.705 -1.715 1
1 665 . 11 1 1 A 52 52 ILE N N 52 123.838 121.792 2.046 1
1 666 . 11 1 1 A 53 53 ASP H H 53 8.092 8.130 -0.038 1
1 667 . 11 1 1 A 53 53 ASP HA H 53 4.225 4.398 -0.173 1
1 670 . 11 1 1 A 53 53 ASP C C 53 178.227 178.486 -0.259 1
1 671 . 11 1 1 A 53 53 ASP CA C 53 56.606 56.919 -0.313 1
1 672 . 11 1 1 A 53 53 ASP CB C 53 39.034 40.322 -1.288 1
1 673 . 11 1 1 A 53 53 ASP N N 53 121.313 121.743 -0.430 1
1 674 . 11 1 1 A 54 54 ASP H H 54 7.811 8.115 -0.304 1
1 675 . 11 1 1 A 54 54 ASP HA H 54 4.253 4.401 -0.148 1
1 678 . 11 1 1 A 54 54 ASP C C 54 177.927 178.204 -0.277 1
1 679 . 11 1 1 A 54 54 ASP CA C 54 56.467 57.090 -0.623 1
1 680 . 11 1 1 A 54 54 ASP CB C 54 39.401 40.975 -1.574 1
1 681 . 11 1 1 A 54 54 ASP N N 54 120.122 119.125 0.997 1
1 682 . 11 1 1 A 55 55 LEU H H 55 7.789 7.662 0.127 1
1 683 . 11 1 1 A 55 55 LEU HA H 55 3.979 4.057 -0.078 1
1 693 . 11 1 1 A 55 55 LEU C C 55 178.027 178.553 -0.526 1
1 694 . 11 1 1 A 55 55 LEU CA C 55 56.713 58.102 -1.389 1
1 695 . 11 1 1 A 55 55 LEU CB C 55 40.799 41.226 -0.427 1
1 699 . 11 1 1 A 55 55 LEU N N 55 122.944 120.645 2.299 1
1 700 . 11 1 1 A 56 56 MET H H 56 8.601 8.806 -0.205 1
1 701 . 11 1 1 A 56 56 MET HA H 56 3.827 3.940 -0.113 1
1 709 . 11 1 1 A 56 56 MET C C 56 177.027 178.592 -1.565 1
1 710 . 11 1 1 A 56 56 MET CA C 56 57.116 58.990 -1.874 1
1 711 . 11 1 1 A 56 56 MET CB C 56 29.825 32.732 -2.907 1
1 714 . 11 1 1 A 56 56 MET N N 56 117.863 117.065 0.798 1
1 715 . 11 1 1 A 57 57 LYS H H 57 7.693 7.676 0.017 1
1 716 . 11 1 1 A 57 57 LYS HA H 57 3.954 4.026 -0.072 1
1 725 . 11 1 1 A 57 57 LYS C C 57 178.127 178.481 -0.354 1
1 726 . 11 1 1 A 57 57 LYS CA C 57 58.352 58.997 -0.645 1
1 727 . 11 1 1 A 57 57 LYS CB C 57 31.315 32.208 -0.893 1
1 731 . 11 1 1 A 57 57 LYS N N 57 116.455 120.356 -3.901 1
1 732 . 11 1 1 A 58 58 SER H H 58 7.661 7.982 -0.321 1
1 733 . 11 1 1 A 58 58 SER HA H 58 4.115 4.305 -0.190 1
1 736 . 11 1 1 A 58 58 SER C C 58 174.827 176.847 -2.020 1
1 737 . 11 1 1 A 58 58 SER CA C 58 59.986 61.929 -1.943 1
1 738 . 11 1 1 A 58 58 SER CB C 58 62.464 63.120 -0.656 1
1 739 . 11 1 1 A 58 58 SER N N 58 113.020 117.245 -4.225 1
1 740 . 11 1 1 A 59 59 LEU H H 59 7.917 7.974 -0.057 1
1 741 . 11 1 1 A 59 59 LEU HA H 59 4.269 4.270 -0.001 1
1 751 . 11 1 1 A 59 59 LEU C C 59 177.627 177.238 0.389 1
1 752 . 11 1 1 A 59 59 LEU CA C 59 54.402 57.492 -3.090 1
1 753 . 11 1 1 A 59 59 LEU CB C 59 43.731 42.417 1.314 1
1 757 . 11 1 1 A 59 59 LEU N N 59 117.463 119.266 -1.803 1
1 758 . 11 1 1 A 60 60 ASP H H 60 8.025 7.932 0.093 1
1 759 . 11 1 1 A 60 60 ASP HA H 60 4.566 4.561 0.005 1
1 762 . 11 1 1 A 60 60 ASP C C 60 176.627 175.743 0.884 1
1 763 . 11 1 1 A 60 60 ASP CA C 60 52.335 54.758 -2.423 1
1 764 . 11 1 1 A 60 60 ASP CB C 60 38.139 42.071 -3.932 1
1 765 . 11 1 1 A 60 60 ASP N N 60 117.588 118.411 -0.823 1
1 766 . 11 1 1 A 61 61 LYS H H 61 8.100 9.077 -0.977 1
1 767 . 11 1 1 A 61 61 LYS HA H 61 4.035 4.514 -0.479 1
1 776 . 11 1 1 A 61 61 LYS C C 61 176.727 178.000 -1.273 1
1 777 . 11 1 1 A 61 61 LYS CA C 61 56.887 56.467 0.420 1
1 778 . 11 1 1 A 61 61 LYS CB C 61 31.653 33.298 -1.645 1
1 782 . 11 1 1 A 61 61 LYS N N 61 126.943 125.806 1.137 1
1 783 . 11 1 1 A 62 62 ASN H H 62 7.864 8.378 -0.514 1
1 784 . 11 1 1 A 62 62 ASN HA H 62 4.759 4.720 0.039 1
1 789 . 11 1 1 A 62 62 ASN C C 62 173.727 175.504 -1.777 1
1 790 . 11 1 1 A 62 62 ASN CA C 62 50.660 53.582 -2.922 1
1 791 . 11 1 1 A 62 62 ASN CB C 62 35.920 38.638 -2.718 1
1 792 . 11 1 1 A 62 62 ASN N N 62 113.588 115.955 -2.367 1
1 794 . 11 1 1 A 63 63 SER H H 63 7.613 8.498 -0.885 1
1 795 . 11 1 1 A 63 63 SER HA H 63 3.962 4.092 -0.130 1
1 798 . 11 1 1 A 63 63 SER C C 63 172.927 173.552 -0.625 1
1 799 . 11 1 1 A 63 63 SER CA C 63 58.262 59.285 -1.023 1
1 800 . 11 1 1 A 63 63 SER CB C 63 60.708 62.124 -1.416 1
1 801 . 11 1 1 A 63 63 SER N N 63 111.592 114.027 -2.435 1
1 802 . 11 1 1 A 64 64 ASP H H 64 8.217 7.626 0.591 1
1 803 . 11 1 1 A 64 64 ASP HA H 64 4.653 4.914 -0.261 1
1 806 . 11 1 1 A 64 64 ASP C C 64 175.927 175.596 0.331 1
1 807 . 11 1 1 A 64 64 ASP CA C 64 51.641 52.978 -1.337 1
1 808 . 11 1 1 A 64 64 ASP CB C 64 39.385 41.496 -2.111 1
1 809 . 11 1 1 A 64 64 ASP N N 64 118.913 117.990 0.923 1
1 810 . 11 1 1 A 65 65 GLN H H 65 10.239 8.360 1.879 1
1 811 . 11 1 1 A 65 65 GLN HA H 65 3.356 4.544 -1.188 1
1 818 . 11 1 1 A 65 65 GLN C C 65 172.627 174.973 -2.346 1
1 819 . 11 1 1 A 65 65 GLN CA C 65 56.325 55.582 0.743 1
1 820 . 11 1 1 A 65 65 GLN CB C 65 24.910 30.782 -5.872 1
1 822 . 11 1 1 A 65 65 GLN N N 65 114.908 117.428 -2.520 1
1 824 . 11 1 1 A 66 66 GLU H H 66 7.710 8.479 -0.769 1
1 825 . 11 1 1 A 66 66 GLU HA H 66 4.691 4.985 -0.294 1
1 830 . 11 1 1 A 66 66 GLU C C 66 174.127 175.308 -1.181 1
1 831 . 11 1 1 A 66 66 GLU CA C 66 52.987 54.545 -1.558 1
1 832 . 11 1 1 A 66 66 GLU CB C 66 32.433 32.442 -0.009 1
1 834 . 11 1 1 A 66 66 GLU N N 66 115.721 119.518 -3.797 1
1 835 . 11 1 1 A 67 67 ILE H H 67 9.938 8.887 1.051 1
1 836 . 11 1 1 A 67 67 ILE HA H 67 5.291 5.015 0.276 1
1 846 . 11 1 1 A 67 67 ILE C C 67 175.627 175.385 0.242 1
1 847 . 11 1 1 A 67 67 ILE CA C 67 56.241 60.727 -4.486 1
1 848 . 11 1 1 A 67 67 ILE CB C 67 35.492 38.685 -3.193 1
1 852 . 11 1 1 A 67 67 ILE N N 67 125.901 123.882 2.019 1
1 853 . 11 1 1 A 68 68 ASP H H 68 8.794 9.300 -0.506 1
1 854 . 11 1 1 A 68 68 ASP HA H 68 5.002 4.761 0.241 1
1 857 . 11 1 1 A 68 68 ASP C C 68 174.427 177.999 -3.572 1
1 858 . 11 1 1 A 68 68 ASP CA C 68 51.563 54.589 -3.026 1
1 859 . 11 1 1 A 68 68 ASP CB C 68 40.493 41.900 -1.407 1
1 860 . 11 1 1 A 68 68 ASP N N 68 127.844 128.058 -0.214 1
1 861 . 11 1 1 A 69 69 PHE H H 69 9.068 9.306 -0.238 1
1 862 . 11 1 1 A 69 69 PHE HA H 69 3.130 3.843 -0.713 1
1 869 . 11 1 1 A 69 69 PHE C C 69 176.827 177.426 -0.599 1
1 870 . 11 1 1 A 69 69 PHE CA C 69 62.478 61.756 0.722 1
1 871 . 11 1 1 A 69 69 PHE CB C 69 38.096 39.262 -1.166 1
1 872 . 11 1 1 A 69 69 PHE N N 69 118.955 123.029 -4.074 1
1 873 . 11 1 1 A 70 70 LYS H H 70 8.123 8.302 -0.179 1
1 874 . 11 1 1 A 70 70 LYS HA H 70 3.871 4.111 -0.240 1
1 883 . 11 1 1 A 70 70 LYS C C 70 179.527 179.521 0.006 1
1 884 . 11 1 1 A 70 70 LYS CA C 70 59.457 59.153 0.304 1
1 885 . 11 1 1 A 70 70 LYS CB C 70 30.772 32.047 -1.275 1
1 889 . 11 1 1 A 70 70 LYS N N 70 120.287 119.283 1.004 1
1 890 . 11 1 1 A 71 71 GLU H H 71 8.746 7.716 1.030 1
1 891 . 11 1 1 A 71 71 GLU HA H 71 4.099 4.133 -0.034 1
1 896 . 11 1 1 A 71 71 GLU C C 71 179.127 179.022 0.105 1
1 897 . 11 1 1 A 71 71 GLU CA C 71 57.934 58.920 -0.986 1
1 898 . 11 1 1 A 71 71 GLU CB C 71 29.266 29.957 -0.691 1
1 900 . 11 1 1 A 71 71 GLU N N 71 122.207 120.162 2.045 1
1 901 . 11 1 1 A 72 72 TYR H H 72 8.879 8.653 0.226 1
1 902 . 11 1 1 A 72 72 TYR HA H 72 4.010 4.263 -0.253 1
1 909 . 11 1 1 A 72 72 TYR C C 72 175.927 178.121 -2.194 1
1 910 . 11 1 1 A 72 72 TYR CA C 72 58.551 61.845 -3.294 1
1 911 . 11 1 1 A 72 72 TYR CB C 72 38.072 38.790 -0.718 1
1 912 . 11 1 1 A 72 72 TYR N N 72 121.813 122.244 -0.431 1
1 913 . 11 1 1 A 73 73 SER H H 73 8.414 8.205 0.209 1
1 914 . 11 1 1 A 73 73 SER HA H 73 3.462 4.256 -0.794 1
1 917 . 11 1 1 A 73 73 SER C C 73 175.127 176.071 -0.944 1
1 918 . 11 1 1 A 73 73 SER CA C 73 61.876 62.082 -0.206 1
1 919 . 11 1 1 A 73 73 SER CB C 73 61.327 62.976 -1.649 1
1 920 . 11 1 1 A 73 73 SER N N 73 117.840 116.277 1.563 1
1 921 . 11 1 1 A 74 74 VAL H H 74 7.363 8.142 -0.779 1
1 922 . 11 1 1 A 74 74 VAL HA H 74 3.584 3.905 -0.321 1
1 930 . 11 1 1 A 74 74 VAL C C 74 178.027 178.299 -0.272 1
1 931 . 11 1 1 A 74 74 VAL CA C 74 65.397 65.827 -0.430 1
1 932 . 11 1 1 A 74 74 VAL CB C 74 30.300 31.429 -1.129 1
1 935 . 11 1 1 A 74 74 VAL N N 74 123.439 118.542 4.897 1
1 936 . 11 1 1 A 75 75 PHE H H 75 7.282 7.778 -0.496 1
1 937 . 11 1 1 A 75 75 PHE HA H 75 4.562 4.105 0.457 1
1 945 . 11 1 1 A 75 75 PHE C C 75 176.127 177.146 -1.019 1
1 946 . 11 1 1 A 75 75 PHE CA C 75 57.851 61.335 -3.484 1
1 947 . 11 1 1 A 75 75 PHE CB C 75 36.863 39.219 -2.356 1
1 948 . 11 1 1 A 75 75 PHE N N 75 122.766 124.092 -1.326 1
1 949 . 11 1 1 A 76 76 LEU H H 76 7.823 8.142 -0.319 1
1 950 . 11 1 1 A 76 76 LEU HA H 76 3.445 3.336 0.109 1
1 960 . 11 1 1 A 76 76 LEU C C 76 178.927 179.182 -0.255 1
1 961 . 11 1 1 A 76 76 LEU CA C 76 56.891 57.804 -0.913 1
1 962 . 11 1 1 A 76 76 LEU CB C 76 39.917 41.344 -1.427 1
1 966 . 11 1 1 A 76 76 LEU N N 76 115.619 119.551 -3.932 1
1 967 . 11 1 1 A 77 77 THR H H 77 7.858 7.660 0.198 1
1 968 . 11 1 1 A 77 77 THR HA H 77 3.665 3.767 -0.102 1
1 974 . 11 1 1 A 77 77 THR C C 77 175.427 176.832 -1.405 1
1 975 . 11 1 1 A 77 77 THR CA C 77 66.127 66.801 -0.674 1
1 976 . 11 1 1 A 77 77 THR CB C 77 67.585 67.628 -0.043 1
1 978 . 11 1 1 A 77 77 THR N N 77 113.417 115.670 -2.253 1
1 979 . 11 1 1 A 78 78 MET H H 78 7.970 7.859 0.111 1
1 980 . 11 1 1 A 78 78 MET HA H 78 3.935 4.113 -0.178 1
1 988 . 11 1 1 A 78 78 MET C C 78 179.127 178.936 0.191 1
1 989 . 11 1 1 A 78 78 MET CA C 78 58.780 58.661 0.119 1
1 990 . 11 1 1 A 78 78 MET CB C 78 31.501 32.515 -1.014 1
1 993 . 11 1 1 A 78 78 MET N N 78 122.745 118.417 4.328 1
1 994 . 11 1 1 A 79 79 LEU H H 79 7.898 7.952 -0.054 1
1 995 . 11 1 1 A 79 79 LEU HA H 79 3.870 4.069 -0.199 1
1 1005 . 11 1 1 A 79 79 LEU C C 79 178.427 178.852 -0.425 1
1 1006 . 11 1 1 A 79 79 LEU CA C 79 56.843 57.944 -1.101 1
1 1007 . 11 1 1 A 79 79 LEU CB C 79 41.099 41.518 -0.419 1
1 1011 . 11 1 1 A 79 79 LEU N N 79 120.989 119.962 1.027 1
1 1012 . 11 1 1 A 80 80 CYS H H 80 8.400 8.366 0.034 1
1 1013 . 11 1 1 A 80 80 CYS HA H 80 3.830 4.148 -0.318 1
1 1017 . 11 1 1 A 80 80 CYS C C 80 175.927 177.337 -1.410 1
1 1018 . 11 1 1 A 80 80 CYS CA C 80 64.044 62.729 1.315 1
1 1019 . 11 1 1 A 80 80 CYS CB C 80 25.626 25.739 -0.113 1
1 1020 . 11 1 1 A 80 80 CYS N N 80 117.746 117.424 0.322 1
1 1021 . 11 1 1 A 81 81 MET H H 81 8.295 8.485 -0.190 1
1 1022 . 11 1 1 A 81 81 MET HA H 81 4.023 4.213 -0.190 1
1 1030 . 11 1 1 A 81 81 MET C C 81 177.327 178.386 -1.059 1
1 1031 . 11 1 1 A 81 81 MET CA C 81 57.601 58.561 -0.960 1
1 1032 . 11 1 1 A 81 81 MET CB C 81 30.668 32.016 -1.348 1
1 1035 . 11 1 1 A 81 81 MET N N 81 117.598 119.267 -1.669 1
1 1036 . 11 1 1 A 82 82 ALA H H 82 7.624 7.783 -0.159 1
1 1037 . 11 1 1 A 82 82 ALA HA H 82 4.061 4.111 -0.050 1
1 1041 . 11 1 1 A 82 82 ALA C C 82 179.627 179.521 0.106 1
1 1042 . 11 1 1 A 82 82 ALA CA C 82 53.856 55.229 -1.373 1
1 1043 . 11 1 1 A 82 82 ALA CB C 82 16.794 18.473 -1.679 1
1 1044 . 11 1 1 A 82 82 ALA N N 82 121.886 121.744 0.142 1
1 1045 . 11 1 1 A 83 83 TYR H H 83 8.476 7.993 0.483 1
1 1046 . 11 1 1 A 83 83 TYR HA H 83 4.147 4.464 -0.317 1
1 1053 . 11 1 1 A 83 83 TYR C C 83 178.127 178.305 -0.178 1
1 1054 . 11 1 1 A 83 83 TYR CA C 83 60.066 61.507 -1.441 1
1 1055 . 11 1 1 A 83 83 TYR CB C 83 36.546 37.605 -1.059 1
1 1056 . 11 1 1 A 83 83 TYR N N 83 119.136 116.513 2.623 1
1 1057 . 11 1 1 A 84 84 ASN H H 84 8.386 8.329 0.057 1
1 1058 . 11 1 1 A 84 84 ASN HA H 84 4.221 4.420 -0.199 1
1 1063 . 11 1 1 A 84 84 ASN C C 84 175.427 177.747 -2.320 1
1 1064 . 11 1 1 A 84 84 ASN CA C 84 56.123 56.901 -0.778 1
1 1065 . 11 1 1 A 84 84 ASN CB C 84 37.387 39.483 -2.096 1
1 1066 . 11 1 1 A 84 84 ASN N N 84 120.692 119.339 1.353 1
1 1068 . 11 1 1 A 85 85 ASP H H 85 7.611 7.694 -0.083 1
1 1069 . 11 1 1 A 85 85 ASP HA H 85 4.234 4.524 -0.290 1
1 1072 . 11 1 1 A 85 85 ASP C C 85 178.227 178.522 -0.295 1
1 1073 . 11 1 1 A 85 85 ASP CA C 85 56.752 57.199 -0.447 1
1 1074 . 11 1 1 A 85 85 ASP CB C 85 38.688 40.853 -2.165 1
1 1075 . 11 1 1 A 85 85 ASP N N 85 118.378 118.813 -0.435 1
1 1076 . 11 1 1 A 86 86 PHE H H 86 7.538 8.033 -0.495 1
1 1077 . 11 1 1 A 86 86 PHE HA H 86 4.291 4.293 -0.002 1
1 1084 . 11 1 1 A 86 86 PHE C C 86 176.627 177.357 -0.730 1
1 1085 . 11 1 1 A 86 86 PHE CA C 86 58.743 61.412 -2.669 1
1 1086 . 11 1 1 A 86 86 PHE CB C 86 37.488 38.807 -1.319 1
1 1087 . 11 1 1 A 86 86 PHE N N 86 118.712 122.530 -3.818 1
1 1088 . 11 1 1 A 87 87 PHE H H 87 8.132 8.435 -0.303 1
1 1089 . 11 1 1 A 87 87 PHE HA H 87 3.906 4.124 -0.218 1
1 1096 . 11 1 1 A 87 87 PHE C C 87 176.627 177.172 -0.545 1
1 1097 . 11 1 1 A 87 87 PHE CA C 87 59.554 61.746 -2.192 1
1 1098 . 11 1 1 A 87 87 PHE CB C 87 38.017 39.420 -1.403 1
1 1099 . 11 1 1 A 87 87 PHE N N 87 121.649 119.793 1.856 1
1 1100 . 11 1 1 A 88 88 LEU H H 88 7.953 8.380 -0.427 1
1 1101 . 11 1 1 A 88 88 LEU HA H 88 3.775 4.139 -0.364 1
1 1111 . 11 1 1 A 88 88 LEU C C 88 177.627 177.550 0.077 1
1 1112 . 11 1 1 A 88 88 LEU CA C 88 55.078 56.645 -1.567 1
1 1113 . 11 1 1 A 88 88 LEU CB C 88 41.226 41.781 -0.555 1
1 1117 . 11 1 1 A 88 88 LEU N N 88 118.897 119.169 -0.272 1
1 1118 . 11 1 1 A 89 89 GLU H H 89 7.475 7.495 -0.020 1
1 1119 . 11 1 1 A 89 89 GLU HA H 89 3.914 4.298 -0.384 1
1 1124 . 11 1 1 A 89 89 GLU C C 89 176.127 176.778 -0.651 1
1 1125 . 11 1 1 A 89 89 GLU CA C 89 56.926 57.502 -0.576 1
1 1126 . 11 1 1 A 89 89 GLU CB C 89 28.567 29.675 -1.108 1
1 1128 . 11 1 1 A 89 89 GLU N N 89 119.332 118.699 0.633 1
1 1129 . 11 1 1 A 90 90 ASP H H 90 7.750 8.140 -0.390 1
1 1130 . 11 1 1 A 90 90 ASP HA H 90 4.370 4.715 -0.345 1
1 1133 . 11 1 1 A 90 90 ASP C C 90 175.227 176.923 -1.696 1
1 1134 . 11 1 1 A 90 90 ASP CA C 90 53.593 55.712 -2.119 1
1 1135 . 11 1 1 A 90 90 ASP CB C 90 40.323 41.879 -1.556 1
1 1136 . 11 1 1 A 90 90 ASP N N 90 118.945 120.402 -1.457 1
1 1137 . 11 1 1 A 91 91 ASN H H 91 7.681 7.742 -0.061 1
1 1138 . 11 1 1 A 91 91 ASN HA H 91 4.495 4.762 -0.267 1
1 1143 . 11 1 1 A 91 91 ASN C C 91 173.027 175.159 -2.132 1
1 1144 . 11 1 1 A 91 91 ASN CA C 91 52.041 52.504 -0.463 1
1 1145 . 11 1 1 A 91 91 ASN CB C 91 38.072 37.349 0.723 1
1 1146 . 11 1 1 A 91 91 ASN N N 91 118.171 116.551 1.620 1
1 10 . 12 1 1 A 2 2 GLU H H 2 8.776 8.693 0.083 1
1 11 . 12 1 1 A 2 2 GLU HA H 2 4.535 4.771 -0.236 1
1 16 . 12 1 1 A 2 2 GLU C C 2 175.627 175.090 0.537 1
1 17 . 12 1 1 A 2 2 GLU CA C 2 55.573 55.231 0.342 1
1 18 . 12 1 1 A 2 2 GLU CB C 2 30.569 31.347 -0.778 1
1 20 . 12 1 1 A 2 2 GLU N N 2 124.305 122.133 2.172 1
1 21 . 12 1 1 A 3 3 THR H H 3 8.835 8.267 0.568 1
1 22 . 12 1 1 A 3 3 THR HA H 3 4.608 4.908 -0.300 1
1 27 . 12 1 1 A 3 3 THR CA C 3 59.187 59.615 -0.428 1
1 28 . 12 1 1 A 3 3 THR CB C 3 67.385 70.604 -3.219 1
1 30 . 12 1 1 A 3 3 THR N N 3 116.176 114.647 1.529 1
1 31 . 12 1 1 A 4 4 PRO HA H 4 4.158 4.513 -0.355 1
1 38 . 12 1 1 A 4 4 PRO C C 4 179.327 178.165 1.162 1
1 39 . 12 1 1 A 4 4 PRO CA C 4 65.040 64.480 0.560 1
1 40 . 12 1 1 A 4 4 PRO CB C 4 30.616 32.051 -1.435 1
1 43 . 12 1 1 A 5 5 LEU H H 5 8.794 7.568 1.226 1
1 44 . 12 1 1 A 5 5 LEU HA H 5 3.944 4.033 -0.089 1
1 54 . 12 1 1 A 5 5 LEU C C 5 177.327 178.227 -0.900 1
1 55 . 12 1 1 A 5 5 LEU CA C 5 56.920 57.078 -0.158 1
1 56 . 12 1 1 A 5 5 LEU CB C 5 41.139 42.564 -1.425 1
1 60 . 12 1 1 A 5 5 LEU N N 5 118.892 117.485 1.407 1
1 61 . 12 1 1 A 6 6 GLU H H 6 7.664 8.345 -0.681 1
1 62 . 12 1 1 A 6 6 GLU HA H 6 3.744 3.926 -0.182 1
1 67 . 12 1 1 A 6 6 GLU C C 6 178.827 179.445 -0.618 1
1 68 . 12 1 1 A 6 6 GLU CA C 6 59.347 59.857 -0.510 1
1 69 . 12 1 1 A 6 6 GLU CB C 6 28.700 29.233 -0.533 1
1 71 . 12 1 1 A 6 6 GLU N N 6 118.741 119.009 -0.268 1
1 72 . 12 1 1 A 7 7 LYS H H 7 8.435 7.451 0.984 1
1 73 . 12 1 1 A 7 7 LYS HA H 7 3.909 4.070 -0.161 1
1 82 . 12 1 1 A 7 7 LYS C C 7 178.527 178.708 -0.181 1
1 83 . 12 1 1 A 7 7 LYS CA C 7 58.539 58.784 -0.245 1
1 84 . 12 1 1 A 7 7 LYS CB C 7 31.217 32.458 -1.241 1
1 88 . 12 1 1 A 7 7 LYS N N 7 119.285 120.417 -1.132 1
1 89 . 12 1 1 A 8 8 ALA H H 8 8.008 7.649 0.359 1
1 90 . 12 1 1 A 8 8 ALA HA H 8 4.038 4.045 -0.007 1
1 94 . 12 1 1 A 8 8 ALA C C 8 178.327 180.334 -2.007 1
1 95 . 12 1 1 A 8 8 ALA CA C 8 54.356 54.843 -0.487 1
1 96 . 12 1 1 A 8 8 ALA CB C 8 17.509 17.995 -0.486 1
1 97 . 12 1 1 A 8 8 ALA N N 8 123.866 121.446 2.420 1
1 98 . 12 1 1 A 9 9 LEU H H 9 8.163 8.687 -0.524 1
1 99 . 12 1 1 A 9 9 LEU HA H 9 3.809 3.937 -0.128 1
1 109 . 12 1 1 A 9 9 LEU C C 9 178.527 179.252 -0.725 1
1 110 . 12 1 1 A 9 9 LEU CA C 9 57.256 58.142 -0.886 1
1 111 . 12 1 1 A 9 9 LEU CB C 9 40.483 41.279 -0.796 1
1 115 . 12 1 1 A 9 9 LEU N N 9 119.134 118.215 0.919 1
1 116 . 12 1 1 A 10 10 THR H H 10 8.186 8.094 0.092 1
1 117 . 12 1 1 A 10 10 THR HA H 10 3.741 3.947 -0.206 1
1 122 . 12 1 1 A 10 10 THR C C 10 176.727 176.455 0.272 1
1 123 . 12 1 1 A 10 10 THR CA C 10 66.345 66.602 -0.257 1
1 124 . 12 1 1 A 10 10 THR CB C 10 67.558 68.574 -1.016 1
1 126 . 12 1 1 A 10 10 THR N N 10 114.355 115.973 -1.618 1
1 127 . 12 1 1 A 11 11 THR H H 11 8.387 8.282 0.105 1
1 128 . 12 1 1 A 11 11 THR HA H 11 3.963 3.917 0.046 1
1 133 . 12 1 1 A 11 11 THR C C 11 176.827 177.080 -0.253 1
1 134 . 12 1 1 A 11 11 THR CA C 11 65.801 67.013 -1.212 1
1 135 . 12 1 1 A 11 11 THR CB C 11 67.140 68.721 -1.581 1
1 137 . 12 1 1 A 11 11 THR N N 11 120.801 117.233 3.568 1
1 138 . 12 1 1 A 12 12 MET H H 12 8.299 8.403 -0.104 1
1 139 . 12 1 1 A 12 12 MET HA H 12 3.872 4.344 -0.472 1
1 147 . 12 1 1 A 12 12 MET C C 12 177.827 178.859 -1.032 1
1 148 . 12 1 1 A 12 12 MET CA C 12 59.263 58.270 0.993 1
1 149 . 12 1 1 A 12 12 MET CB C 12 31.845 32.457 -0.612 1
1 152 . 12 1 1 A 12 12 MET N N 12 124.102 119.154 4.948 1
1 153 . 12 1 1 A 13 13 VAL H H 13 7.820 7.806 0.014 1
1 154 . 12 1 1 A 13 13 VAL HA H 13 3.937 4.092 -0.155 1
1 162 . 12 1 1 A 13 13 VAL C C 13 177.127 178.768 -1.641 1
1 163 . 12 1 1 A 13 13 VAL CA C 13 65.677 65.965 -0.288 1
1 164 . 12 1 1 A 13 13 VAL CB C 13 31.656 31.331 0.325 1
1 167 . 12 1 1 A 13 13 VAL N N 13 119.838 121.358 -1.520 1
1 168 . 12 1 1 A 14 14 THR H H 14 9.107 8.472 0.635 1
1 169 . 12 1 1 A 14 14 THR HA H 14 3.654 4.019 -0.365 1
1 174 . 12 1 1 A 14 14 THR C C 14 177.527 177.065 0.462 1
1 175 . 12 1 1 A 14 14 THR CA C 14 65.273 66.254 -0.981 1
1 176 . 12 1 1 A 14 14 THR CB C 14 67.652 68.844 -1.192 1
1 178 . 12 1 1 A 14 14 THR N N 14 112.247 117.401 -5.154 1
1 179 . 12 1 1 A 15 15 THR H H 15 8.189 8.197 -0.008 1
1 180 . 12 1 1 A 15 15 THR HA H 15 3.864 4.086 -0.222 1
1 186 . 12 1 1 A 15 15 THR C C 15 173.627 176.715 -3.088 1
1 187 . 12 1 1 A 15 15 THR CA C 15 66.930 64.844 2.086 1
1 188 . 12 1 1 A 15 15 THR CB C 15 66.539 69.061 -2.522 1
1 190 . 12 1 1 A 15 15 THR N N 15 117.691 114.188 3.503 1
1 191 . 12 1 1 A 16 16 PHE H H 16 6.850 7.975 -1.125 1
1 192 . 12 1 1 A 16 16 PHE HA H 16 3.417 4.041 -0.624 1
1 199 . 12 1 1 A 16 16 PHE C C 16 175.627 177.415 -1.788 1
1 200 . 12 1 1 A 16 16 PHE CA C 16 61.577 61.710 -0.133 1
1 201 . 12 1 1 A 16 16 PHE CB C 16 38.177 39.035 -0.858 1
1 202 . 12 1 1 A 16 16 PHE N N 16 120.169 122.380 -2.211 1
1 203 . 12 1 1 A 17 17 HIS H H 17 6.924 8.080 -1.156 1
1 204 . 12 1 1 A 17 17 HIS HA H 17 4.755 4.362 0.393 1
1 207 . 12 1 1 A 17 17 HIS C C 17 176.227 177.570 -1.343 1
1 208 . 12 1 1 A 17 17 HIS CA C 17 56.810 59.283 -2.473 1
1 209 . 12 1 1 A 17 17 HIS CB C 17 29.597 29.758 -0.161 1
1 210 . 12 1 1 A 17 17 HIS N N 17 115.499 116.805 -1.306 1
1 211 . 12 1 1 A 18 18 LYS H H 18 7.888 7.861 0.027 1
1 212 . 12 1 1 A 18 18 LYS HA H 18 3.870 3.653 0.217 1
1 221 . 12 1 1 A 18 18 LYS C C 18 176.927 178.378 -1.451 1
1 222 . 12 1 1 A 18 18 LYS CA C 18 57.897 59.260 -1.363 1
1 223 . 12 1 1 A 18 18 LYS CB C 18 31.582 31.845 -0.263 1
1 227 . 12 1 1 A 18 18 LYS N N 18 121.217 120.107 1.110 1
1 228 . 12 1 1 A 19 19 TYR H H 19 6.928 7.696 -0.768 1
1 229 . 12 1 1 A 19 19 TYR HA H 19 4.163 4.309 -0.146 1
1 234 . 12 1 1 A 19 19 TYR C C 19 175.027 178.263 -3.236 1
1 235 . 12 1 1 A 19 19 TYR CA C 19 59.335 60.390 -1.055 1
1 236 . 12 1 1 A 19 19 TYR CB C 19 39.515 38.980 0.535 1
1 237 . 12 1 1 A 19 19 TYR N N 19 114.488 119.032 -4.544 1
1 238 . 12 1 1 A 20 20 SER H H 20 8.021 8.200 -0.179 1
1 239 . 12 1 1 A 20 20 SER HA H 20 3.105 3.967 -0.862 1
1 242 . 12 1 1 A 20 20 SER C C 20 176.527 176.330 0.197 1
1 243 . 12 1 1 A 20 20 SER CA C 20 60.457 62.363 -1.906 1
1 244 . 12 1 1 A 20 20 SER CB C 20 60.326 61.624 -1.298 1
1 245 . 12 1 1 A 20 20 SER N N 20 112.624 115.696 -3.072 1
1 246 . 12 1 1 A 21 21 GLY H H 21 7.908 7.713 0.195 1
1 247 . 12 1 1 A 21 21 GLY HA2 H 21 4.197 3.856 0.341 1
1 248 . 12 1 1 A 21 21 GLY HA3 H 21 3.761 3.870 -0.109 1
1 249 . 12 1 1 A 21 21 GLY C C 21 173.027 175.104 -2.077 1
1 250 . 12 1 1 A 21 21 GLY CA C 21 44.357 45.588 -1.231 1
1 251 . 12 1 1 A 21 21 GLY N N 21 112.095 107.789 4.306 1
1 252 . 12 1 1 A 22 22 ARG H H 22 7.470 7.575 -0.105 1
1 253 . 12 1 1 A 22 22 ARG HA H 22 3.956 4.100 -0.144 1
1 260 . 12 1 1 A 22 22 ARG C C 22 176.327 175.483 0.844 1
1 261 . 12 1 1 A 22 22 ARG CA C 22 58.189 58.197 -0.008 1
1 262 . 12 1 1 A 22 22 ARG CB C 22 29.483 31.448 -1.965 1
1 265 . 12 1 1 A 22 22 ARG N N 22 122.481 120.422 2.059 1
1 266 . 12 1 1 A 23 23 GLU H H 23 9.412 8.047 1.365 1
1 267 . 12 1 1 A 23 23 GLU HA H 23 4.626 4.517 0.109 1
1 272 . 12 1 1 A 23 23 GLU C C 23 175.027 176.733 -1.706 1
1 273 . 12 1 1 A 23 23 GLU CA C 23 53.319 55.197 -1.878 1
1 274 . 12 1 1 A 23 23 GLU CB C 23 32.032 33.058 -1.026 1
1 276 . 12 1 1 A 23 23 GLU N N 23 116.123 116.916 -0.793 1
1 277 . 12 1 1 A 24 24 GLY H H 24 9.080 8.724 0.356 1
1 278 . 12 1 1 A 24 24 GLY HA2 H 24 3.694 3.785 -0.091 1
1 279 . 12 1 1 A 24 24 GLY HA3 H 24 3.878 3.881 -0.003 1
1 280 . 12 1 1 A 24 24 GLY C C 24 172.827 173.950 -1.123 1
1 281 . 12 1 1 A 24 24 GLY CA C 24 44.707 46.882 -2.175 1
1 282 . 12 1 1 A 24 24 GLY N N 24 114.015 111.095 2.920 1
1 283 . 12 1 1 A 25 25 SER H H 25 8.465 8.854 -0.389 1
1 284 . 12 1 1 A 25 25 SER HA H 25 4.312 4.252 0.060 1
1 287 . 12 1 1 A 25 25 SER C C 25 178.027 174.627 3.400 1
1 288 . 12 1 1 A 25 25 SER CA C 25 57.478 59.709 -2.231 1
1 289 . 12 1 1 A 25 25 SER CB C 25 61.941 63.429 -1.488 1
1 290 . 12 1 1 A 25 25 SER N N 25 117.299 121.055 -3.756 1
1 291 . 12 1 1 A 26 26 LYS H H 26 9.532 8.860 0.672 1
1 292 . 12 1 1 A 26 26 LYS HA H 26 4.660 3.936 0.724 1
1 301 . 12 1 1 A 26 26 LYS C C 26 176.127 177.892 -1.765 1
1 302 . 12 1 1 A 26 26 LYS CA C 26 56.928 58.760 -1.832 1
1 303 . 12 1 1 A 26 26 LYS CB C 26 30.526 32.532 -2.006 1
1 307 . 12 1 1 A 26 26 LYS N N 26 131.209 127.126 4.083 1
1 308 . 12 1 1 A 27 27 LEU H H 27 8.643 7.657 0.986 1
1 309 . 12 1 1 A 27 27 LEU HA H 27 4.583 4.366 0.217 1
1 319 . 12 1 1 A 27 27 LEU C C 27 174.827 176.382 -1.555 1
1 320 . 12 1 1 A 27 27 LEU CA C 27 53.205 55.680 -2.475 1
1 321 . 12 1 1 A 27 27 LEU CB C 27 41.824 42.449 -0.625 1
1 325 . 12 1 1 A 27 27 LEU N N 27 118.729 113.789 4.940 1
1 326 . 12 1 1 A 28 28 THR H H 28 7.037 7.292 -0.255 1
1 327 . 12 1 1 A 28 28 THR HA H 28 5.168 5.007 0.161 1
1 332 . 12 1 1 A 28 28 THR C C 28 172.727 173.463 -0.736 1
1 333 . 12 1 1 A 28 28 THR CA C 28 57.915 59.513 -1.598 1
1 334 . 12 1 1 A 28 28 THR CB C 28 71.934 71.079 0.855 1
1 336 . 12 1 1 A 28 28 THR N N 28 104.663 109.406 -4.743 1
1 337 . 12 1 1 A 29 29 LEU H H 29 9.517 8.745 0.772 1
1 338 . 12 1 1 A 29 29 LEU HA H 29 5.196 4.707 0.489 1
1 348 . 12 1 1 A 29 29 LEU C C 29 175.527 176.253 -0.726 1
1 349 . 12 1 1 A 29 29 LEU CA C 29 51.653 53.883 -2.230 1
1 350 . 12 1 1 A 29 29 LEU CB C 29 42.301 41.491 0.810 1
1 354 . 12 1 1 A 29 29 LEU N N 29 125.388 124.189 1.199 1
1 355 . 12 1 1 A 30 30 SER H H 30 10.053 9.154 0.899 1
1 356 . 12 1 1 A 30 30 SER HA H 30 4.475 4.712 -0.237 1
1 359 . 12 1 1 A 30 30 SER C C 30 173.427 175.539 -2.112 1
1 360 . 12 1 1 A 30 30 SER CA C 30 55.011 58.489 -3.478 1
1 361 . 12 1 1 A 30 30 SER CB C 30 64.446 63.727 0.719 1
1 362 . 12 1 1 A 30 30 SER N N 30 121.114 121.122 -0.008 1
1 363 . 12 1 1 A 31 31 ARG H H 31 8.992 9.068 -0.076 1
1 364 . 12 1 1 A 31 31 ARG HA H 31 3.923 3.933 -0.010 1
1 371 . 12 1 1 A 31 31 ARG C C 31 177.027 177.565 -0.538 1
1 372 . 12 1 1 A 31 31 ARG CA C 31 59.408 59.763 -0.355 1
1 373 . 12 1 1 A 31 31 ARG CB C 31 29.041 29.999 -0.958 1
1 376 . 12 1 1 A 31 31 ARG N N 31 120.513 126.517 -6.004 1
1 377 . 12 1 1 A 32 32 LYS H H 32 7.845 7.902 -0.057 1
1 378 . 12 1 1 A 32 32 LYS HA H 32 3.826 4.108 -0.282 1
1 387 . 12 1 1 A 32 32 LYS C C 32 178.927 179.443 -0.516 1
1 388 . 12 1 1 A 32 32 LYS CA C 32 58.677 59.109 -0.432 1
1 389 . 12 1 1 A 32 32 LYS CB C 32 31.964 31.566 0.398 1
1 393 . 12 1 1 A 32 32 LYS N N 32 117.011 118.808 -1.797 1
1 394 . 12 1 1 A 33 33 GLU H H 33 7.612 8.152 -0.540 1
1 395 . 12 1 1 A 33 33 GLU HA H 33 3.954 4.062 -0.108 1
1 400 . 12 1 1 A 33 33 GLU C C 33 177.227 179.074 -1.847 1
1 401 . 12 1 1 A 33 33 GLU CA C 33 58.289 59.229 -0.940 1
1 402 . 12 1 1 A 33 33 GLU CB C 33 29.757 29.390 0.367 1
1 404 . 12 1 1 A 33 33 GLU N N 33 120.815 119.450 1.365 1
1 405 . 12 1 1 A 34 34 LEU H H 34 8.694 8.340 0.354 1
1 406 . 12 1 1 A 34 34 LEU HA H 34 3.811 3.939 -0.128 1
1 416 . 12 1 1 A 34 34 LEU C C 34 176.927 178.601 -1.674 1
1 417 . 12 1 1 A 34 34 LEU CA C 34 57.025 57.983 -0.958 1
1 418 . 12 1 1 A 34 34 LEU CB C 34 40.638 41.947 -1.309 1
1 422 . 12 1 1 A 34 34 LEU N N 34 119.291 122.475 -3.184 1
1 423 . 12 1 1 A 35 35 LYS H H 35 8.114 8.179 -0.065 1
1 424 . 12 1 1 A 35 35 LYS HA H 35 3.569 3.769 -0.200 1
1 433 . 12 1 1 A 35 35 LYS C C 35 177.027 178.926 -1.899 1
1 434 . 12 1 1 A 35 35 LYS CA C 35 59.419 60.331 -0.912 1
1 435 . 12 1 1 A 35 35 LYS CB C 35 31.271 32.279 -1.008 1
1 439 . 12 1 1 A 35 35 LYS N N 35 117.277 118.410 -1.133 1
1 440 . 12 1 1 A 36 36 GLU H H 36 7.560 8.125 -0.565 1
1 441 . 12 1 1 A 36 36 GLU HA H 36 3.845 4.067 -0.222 1
1 446 . 12 1 1 A 36 36 GLU C C 36 175.827 178.262 -2.435 1
1 447 . 12 1 1 A 36 36 GLU CA C 36 58.190 59.104 -0.914 1
1 448 . 12 1 1 A 36 36 GLU CB C 36 28.253 29.678 -1.425 1
1 450 . 12 1 1 A 36 36 GLU N N 36 119.302 119.902 -0.600 1
1 451 . 12 1 1 A 37 37 LEU H H 37 7.682 8.454 -0.772 1
1 452 . 12 1 1 A 37 37 LEU HA H 37 2.280 2.858 -0.578 1
1 462 . 12 1 1 A 37 37 LEU C C 37 178.327 178.311 0.016 1
1 463 . 12 1 1 A 37 37 LEU CA C 37 58.225 57.874 0.351 1
1 464 . 12 1 1 A 37 37 LEU CB C 37 41.090 41.321 -0.231 1
1 468 . 12 1 1 A 37 37 LEU N N 37 121.690 120.137 1.553 1
1 469 . 12 1 1 A 38 38 ILE H H 38 8.157 8.217 -0.060 1
1 470 . 12 1 1 A 38 38 ILE HA H 38 3.292 3.551 -0.259 1
1 480 . 12 1 1 A 38 38 ILE C C 38 177.027 178.228 -1.201 1
1 481 . 12 1 1 A 38 38 ILE CA C 38 65.007 65.679 -0.672 1
1 482 . 12 1 1 A 38 38 ILE CB C 38 37.187 38.101 -0.914 1
1 486 . 12 1 1 A 38 38 ILE N N 38 117.626 119.925 -2.299 1
1 487 . 12 1 1 A 39 39 LYS H H 39 8.068 8.297 -0.229 1
1 488 . 12 1 1 A 39 39 LYS HA H 39 3.876 3.941 -0.065 1
1 497 . 12 1 1 A 39 39 LYS C C 39 177.927 178.653 -0.726 1
1 498 . 12 1 1 A 39 39 LYS CA C 39 58.204 59.078 -0.874 1
1 499 . 12 1 1 A 39 39 LYS CB C 39 31.731 32.035 -0.304 1
1 503 . 12 1 1 A 39 39 LYS N N 39 117.909 120.721 -2.812 1
1 504 . 12 1 1 A 40 40 LYS H H 40 8.094 8.131 -0.037 1
1 505 . 12 1 1 A 40 40 LYS HA H 40 4.248 4.190 0.058 1
1 514 . 12 1 1 A 40 40 LYS C C 40 178.227 177.665 0.562 1
1 515 . 12 1 1 A 40 40 LYS CA C 40 56.291 59.299 -3.008 1
1 516 . 12 1 1 A 40 40 LYS CB C 40 32.652 32.995 -0.343 1
1 520 . 12 1 1 A 40 40 LYS N N 40 114.323 118.922 -4.599 1
1 521 . 12 1 1 A 41 41 GLU H H 41 8.381 8.027 0.354 1
1 522 . 12 1 1 A 41 41 GLU HA H 41 4.744 4.529 0.215 1
1 527 . 12 1 1 A 41 41 GLU C C 41 176.227 176.618 -0.391 1
1 528 . 12 1 1 A 41 41 GLU CA C 41 55.054 56.405 -1.351 1
1 529 . 12 1 1 A 41 41 GLU CB C 41 29.598 30.377 -0.779 1
1 531 . 12 1 1 A 41 41 GLU N N 41 113.079 116.964 -3.885 1
1 532 . 12 1 1 A 42 42 LEU H H 42 7.544 7.774 -0.230 1
1 533 . 12 1 1 A 42 42 LEU HA H 42 4.754 4.713 0.041 1
1 542 . 12 1 1 A 42 42 LEU CA C 42 52.564 53.508 -0.944 1
1 543 . 12 1 1 A 42 42 LEU CB C 42 43.848 42.788 1.060 1
1 546 . 12 1 1 A 42 42 LEU N N 42 118.458 119.851 -1.393 1
1 547 . 12 1 1 A 43 43 CYS H H 43 8.342 8.082 0.260 1
1 548 . 12 1 1 A 43 43 CYS HA H 43 4.486 4.430 0.056 1
1 551 . 12 1 1 A 43 43 CYS C C 43 174.327 173.577 0.750 1
1 552 . 12 1 1 A 43 43 CYS CA C 43 57.655 58.374 -0.719 1
1 553 . 12 1 1 A 43 43 CYS CB C 43 25.653 26.119 -0.466 1
1 554 . 12 1 1 A 44 44 LEU H H 44 8.123 7.465 0.658 1
1 555 . 12 1 1 A 44 44 LEU HA H 44 4.339 4.525 -0.186 1
1 565 . 12 1 1 A 44 44 LEU C C 44 176.927 178.621 -1.694 1
1 566 . 12 1 1 A 44 44 LEU CA C 44 53.750 54.260 -0.510 1
1 567 . 12 1 1 A 44 44 LEU CB C 44 40.784 42.386 -1.602 1
1 571 . 12 1 1 A 44 44 LEU N N 44 121.974 124.704 -2.730 1
1 572 . 12 1 1 A 45 45 GLY H H 45 8.072 8.741 -0.669 1
1 573 . 12 1 1 A 45 45 GLY HA2 H 45 3.889 3.731 0.158 1
1 574 . 12 1 1 A 45 45 GLY HA3 H 45 3.698 3.860 -0.162 1
1 575 . 12 1 1 A 45 45 GLY C C 45 173.127 175.104 -1.977 1
1 576 . 12 1 1 A 45 45 GLY CA C 45 44.291 46.842 -2.551 1
1 577 . 12 1 1 A 45 45 GLY N N 45 107.819 111.813 -3.994 1
1 578 . 12 1 1 A 46 46 GLU H H 46 8.472 7.892 0.580 1
1 579 . 12 1 1 A 46 46 GLU HA H 46 4.048 4.462 -0.414 1
1 584 . 12 1 1 A 46 46 GLU C C 46 175.727 176.770 -1.043 1
1 585 . 12 1 1 A 46 46 GLU CA C 46 56.461 56.445 0.016 1
1 586 . 12 1 1 A 46 46 GLU CB C 46 28.208 30.151 -1.943 1
1 588 . 12 1 1 A 46 46 GLU N N 46 120.563 119.868 0.695 1
1 589 . 12 1 1 A 47 47 MET H H 47 8.189 7.790 0.399 1
1 590 . 12 1 1 A 47 47 MET HA H 47 4.413 4.547 -0.134 1
1 598 . 12 1 1 A 47 47 MET C C 47 175.027 175.115 -0.088 1
1 599 . 12 1 1 A 47 47 MET CA C 47 53.905 54.674 -0.769 1
1 600 . 12 1 1 A 47 47 MET CB C 47 32.611 31.353 1.258 1
1 603 . 12 1 1 A 47 47 MET N N 47 123.201 121.504 1.697 1
1 604 . 12 1 1 A 48 48 LYS H H 48 8.355 7.925 0.430 1
1 605 . 12 1 1 A 48 48 LYS HA H 48 4.237 4.848 -0.611 1
1 614 . 12 1 1 A 48 48 LYS C C 48 177.027 175.804 1.223 1
1 615 . 12 1 1 A 48 48 LYS CA C 48 55.443 54.770 0.673 1
1 616 . 12 1 1 A 48 48 LYS CB C 48 32.173 36.166 -3.993 1
1 620 . 12 1 1 A 48 48 LYS N N 48 123.046 125.054 -2.008 1
1 621 . 12 1 1 A 49 49 GLU H H 49 8.742 9.032 -0.290 1
1 622 . 12 1 1 A 49 49 GLU HA H 49 3.884 3.966 -0.082 1
1 627 . 12 1 1 A 49 49 GLU C C 49 177.727 178.245 -0.518 1
1 628 . 12 1 1 A 49 49 GLU CA C 49 58.534 59.820 -1.286 1
1 629 . 12 1 1 A 49 49 GLU CB C 49 27.870 29.373 -1.503 1
1 631 . 12 1 1 A 49 49 GLU N N 49 122.407 123.866 -1.459 1
1 632 . 12 1 1 A 50 50 SER H H 50 8.324 8.031 0.293 1
1 633 . 12 1 1 A 50 50 SER HA H 50 4.188 4.328 -0.140 1
1 636 . 12 1 1 A 50 50 SER C C 50 175.427 175.425 0.002 1
1 637 . 12 1 1 A 50 50 SER CA C 50 59.402 60.445 -1.043 1
1 638 . 12 1 1 A 50 50 SER CB C 50 61.442 62.965 -1.523 1
1 639 . 12 1 1 A 50 50 SER N N 50 112.475 117.726 -5.251 1
1 640 . 12 1 1 A 51 51 SER H H 51 7.400 7.889 -0.489 1
1 641 . 12 1 1 A 51 51 SER HA H 51 3.926 4.639 -0.713 1
1 644 . 12 1 1 A 51 51 SER C C 51 176.027 176.461 -0.434 1
1 645 . 12 1 1 A 51 51 SER CA C 51 59.762 59.473 0.289 1
1 646 . 12 1 1 A 51 51 SER CB C 51 60.955 64.278 -3.323 1
1 647 . 12 1 1 A 51 51 SER N N 51 118.432 113.659 4.773 1
1 648 . 12 1 1 A 52 52 ILE H H 52 7.790 8.637 -0.847 1
1 649 . 12 1 1 A 52 52 ILE HA H 52 3.642 3.724 -0.082 1
1 659 . 12 1 1 A 52 52 ILE C C 52 176.427 177.793 -1.366 1
1 660 . 12 1 1 A 52 52 ILE CA C 52 61.984 64.915 -2.931 1
1 661 . 12 1 1 A 52 52 ILE CB C 52 34.990 37.273 -2.283 1
1 665 . 12 1 1 A 52 52 ILE N N 52 123.838 123.093 0.745 1
1 666 . 12 1 1 A 53 53 ASP H H 53 8.092 8.188 -0.096 1
1 667 . 12 1 1 A 53 53 ASP HA H 53 4.225 4.313 -0.088 1
1 670 . 12 1 1 A 53 53 ASP C C 53 178.227 177.364 0.863 1
1 671 . 12 1 1 A 53 53 ASP CA C 53 56.606 57.350 -0.744 1
1 672 . 12 1 1 A 53 53 ASP CB C 53 39.034 40.866 -1.832 1
1 673 . 12 1 1 A 53 53 ASP N N 53 121.313 121.768 -0.455 1
1 674 . 12 1 1 A 54 54 ASP H H 54 7.811 7.886 -0.075 1
1 675 . 12 1 1 A 54 54 ASP HA H 54 4.253 4.470 -0.217 1
1 678 . 12 1 1 A 54 54 ASP C C 54 177.927 178.379 -0.452 1
1 679 . 12 1 1 A 54 54 ASP CA C 54 56.467 56.581 -0.114 1
1 680 . 12 1 1 A 54 54 ASP CB C 54 39.401 40.481 -1.080 1
1 681 . 12 1 1 A 54 54 ASP N N 54 120.122 117.861 2.261 1
1 682 . 12 1 1 A 55 55 LEU H H 55 7.789 7.897 -0.108 1
1 683 . 12 1 1 A 55 55 LEU HA H 55 3.979 4.062 -0.083 1
1 693 . 12 1 1 A 55 55 LEU C C 55 178.027 178.391 -0.364 1
1 694 . 12 1 1 A 55 55 LEU CA C 55 56.713 58.040 -1.327 1
1 695 . 12 1 1 A 55 55 LEU CB C 55 40.799 41.283 -0.484 1
1 699 . 12 1 1 A 55 55 LEU N N 55 122.944 121.925 1.019 1
1 700 . 12 1 1 A 56 56 MET H H 56 8.601 8.686 -0.085 1
1 701 . 12 1 1 A 56 56 MET HA H 56 3.827 4.031 -0.204 1
1 709 . 12 1 1 A 56 56 MET C C 56 177.027 178.114 -1.087 1
1 710 . 12 1 1 A 56 56 MET CA C 56 57.116 58.431 -1.315 1
1 711 . 12 1 1 A 56 56 MET CB C 56 29.825 31.809 -1.984 1
1 714 . 12 1 1 A 56 56 MET N N 56 117.863 119.630 -1.767 1
1 715 . 12 1 1 A 57 57 LYS H H 57 7.693 7.699 -0.006 1
1 716 . 12 1 1 A 57 57 LYS HA H 57 3.954 4.162 -0.208 1
1 725 . 12 1 1 A 57 57 LYS C C 57 178.127 178.496 -0.369 1
1 726 . 12 1 1 A 57 57 LYS CA C 57 58.352 58.918 -0.566 1
1 727 . 12 1 1 A 57 57 LYS CB C 57 31.315 32.257 -0.942 1
1 731 . 12 1 1 A 57 57 LYS N N 57 116.455 119.366 -2.911 1
1 732 . 12 1 1 A 58 58 SER H H 58 7.661 7.916 -0.255 1
1 733 . 12 1 1 A 58 58 SER HA H 58 4.115 4.281 -0.166 1
1 736 . 12 1 1 A 58 58 SER C C 58 174.827 176.345 -1.518 1
1 737 . 12 1 1 A 58 58 SER CA C 58 59.986 61.007 -1.021 1
1 738 . 12 1 1 A 58 58 SER CB C 58 62.464 63.030 -0.566 1
1 739 . 12 1 1 A 58 58 SER N N 58 113.020 115.068 -2.048 1
1 740 . 12 1 1 A 59 59 LEU H H 59 7.917 7.893 0.024 1
1 741 . 12 1 1 A 59 59 LEU HA H 59 4.269 4.306 -0.037 1
1 751 . 12 1 1 A 59 59 LEU C C 59 177.627 176.828 0.799 1
1 752 . 12 1 1 A 59 59 LEU CA C 59 54.402 56.053 -1.651 1
1 753 . 12 1 1 A 59 59 LEU CB C 59 43.731 42.853 0.878 1
1 757 . 12 1 1 A 59 59 LEU N N 59 117.463 119.030 -1.567 1
1 758 . 12 1 1 A 60 60 ASP H H 60 8.025 7.943 0.082 1
1 759 . 12 1 1 A 60 60 ASP HA H 60 4.566 4.770 -0.204 1
1 762 . 12 1 1 A 60 60 ASP C C 60 176.627 177.175 -0.548 1
1 763 . 12 1 1 A 60 60 ASP CA C 60 52.335 54.283 -1.948 1
1 764 . 12 1 1 A 60 60 ASP CB C 60 38.139 41.925 -3.786 1
1 765 . 12 1 1 A 60 60 ASP N N 60 117.588 119.398 -1.810 1
1 766 . 12 1 1 A 61 61 LYS H H 61 8.100 9.190 -1.090 1
1 767 . 12 1 1 A 61 61 LYS HA H 61 4.035 4.459 -0.424 1
1 776 . 12 1 1 A 61 61 LYS C C 61 176.727 176.632 0.095 1
1 777 . 12 1 1 A 61 61 LYS CA C 61 56.887 57.438 -0.551 1
1 778 . 12 1 1 A 61 61 LYS CB C 61 31.653 32.181 -0.528 1
1 782 . 12 1 1 A 61 61 LYS N N 61 126.943 126.856 0.087 1
1 783 . 12 1 1 A 62 62 ASN H H 62 7.864 7.859 0.005 1
1 784 . 12 1 1 A 62 62 ASN HA H 62 4.759 4.854 -0.095 1
1 789 . 12 1 1 A 62 62 ASN C C 62 173.727 175.112 -1.385 1
1 790 . 12 1 1 A 62 62 ASN CA C 62 50.660 53.544 -2.884 1
1 791 . 12 1 1 A 62 62 ASN CB C 62 35.920 39.155 -3.235 1
1 792 . 12 1 1 A 62 62 ASN N N 62 113.588 117.270 -3.682 1
1 794 . 12 1 1 A 63 63 SER H H 63 7.613 7.652 -0.039 1
1 795 . 12 1 1 A 63 63 SER HA H 63 3.962 4.950 -0.988 1
1 798 . 12 1 1 A 63 63 SER C C 63 172.927 172.573 0.354 1
1 799 . 12 1 1 A 63 63 SER CA C 63 58.262 58.100 0.162 1
1 800 . 12 1 1 A 63 63 SER CB C 63 60.708 65.103 -4.395 1
1 801 . 12 1 1 A 63 63 SER N N 63 111.592 111.831 -0.239 1
1 802 . 12 1 1 A 64 64 ASP H H 64 8.217 9.024 -0.807 1
1 803 . 12 1 1 A 64 64 ASP HA H 64 4.653 4.858 -0.205 1
1 806 . 12 1 1 A 64 64 ASP C C 64 175.927 176.983 -1.056 1
1 807 . 12 1 1 A 64 64 ASP CA C 64 51.641 53.014 -1.373 1
1 808 . 12 1 1 A 64 64 ASP CB C 64 39.385 42.427 -3.042 1
1 809 . 12 1 1 A 64 64 ASP N N 64 118.913 121.996 -3.083 1
1 810 . 12 1 1 A 65 65 GLN H H 65 10.239 7.708 2.531 1
1 811 . 12 1 1 A 65 65 GLN HA H 65 3.356 3.912 -0.556 1
1 818 . 12 1 1 A 65 65 GLN C C 65 172.627 174.576 -1.949 1
1 819 . 12 1 1 A 65 65 GLN CA C 65 56.325 57.578 -1.253 1
1 820 . 12 1 1 A 65 65 GLN CB C 65 24.910 26.536 -1.626 1
1 822 . 12 1 1 A 65 65 GLN N N 65 114.908 114.132 0.776 1
1 824 . 12 1 1 A 66 66 GLU H H 66 7.710 8.215 -0.505 1
1 825 . 12 1 1 A 66 66 GLU HA H 66 4.691 4.783 -0.092 1
1 830 . 12 1 1 A 66 66 GLU C C 66 174.127 175.704 -1.577 1
1 831 . 12 1 1 A 66 66 GLU CA C 66 52.987 55.092 -2.105 1
1 832 . 12 1 1 A 66 66 GLU CB C 66 32.433 31.637 0.796 1
1 834 . 12 1 1 A 66 66 GLU N N 66 115.721 118.733 -3.012 1
1 835 . 12 1 1 A 67 67 ILE H H 67 9.938 9.220 0.718 1
1 836 . 12 1 1 A 67 67 ILE HA H 67 5.291 4.610 0.681 1
1 846 . 12 1 1 A 67 67 ILE C C 67 175.627 175.431 0.196 1
1 847 . 12 1 1 A 67 67 ILE CA C 67 56.241 60.556 -4.315 1
1 848 . 12 1 1 A 67 67 ILE CB C 67 35.492 37.711 -2.219 1
1 852 . 12 1 1 A 67 67 ILE N N 67 125.901 124.088 1.813 1
1 853 . 12 1 1 A 68 68 ASP H H 68 8.794 8.458 0.336 1
1 854 . 12 1 1 A 68 68 ASP HA H 68 5.002 4.761 0.241 1
1 857 . 12 1 1 A 68 68 ASP C C 68 174.427 177.433 -3.006 1
1 858 . 12 1 1 A 68 68 ASP CA C 68 51.563 54.367 -2.804 1
1 859 . 12 1 1 A 68 68 ASP CB C 68 40.493 42.774 -2.281 1
1 860 . 12 1 1 A 68 68 ASP N N 68 127.844 128.408 -0.564 1
1 861 . 12 1 1 A 69 69 PHE H H 69 9.068 9.317 -0.249 1
1 862 . 12 1 1 A 69 69 PHE HA H 69 3.130 3.860 -0.730 1
1 869 . 12 1 1 A 69 69 PHE C C 69 176.827 177.331 -0.504 1
1 870 . 12 1 1 A 69 69 PHE CA C 69 62.478 61.463 1.015 1
1 871 . 12 1 1 A 69 69 PHE CB C 69 38.096 39.346 -1.250 1
1 872 . 12 1 1 A 69 69 PHE N N 69 118.955 127.083 -8.128 1
1 873 . 12 1 1 A 70 70 LYS H H 70 8.123 8.099 0.024 1
1 874 . 12 1 1 A 70 70 LYS HA H 70 3.871 3.961 -0.090 1
1 883 . 12 1 1 A 70 70 LYS C C 70 179.527 179.092 0.435 1
1 884 . 12 1 1 A 70 70 LYS CA C 70 59.457 58.366 1.091 1
1 885 . 12 1 1 A 70 70 LYS CB C 70 30.772 32.847 -2.075 1
1 889 . 12 1 1 A 70 70 LYS N N 70 120.287 118.354 1.933 1
1 890 . 12 1 1 A 71 71 GLU H H 71 8.746 7.940 0.806 1
1 891 . 12 1 1 A 71 71 GLU HA H 71 4.099 4.036 0.063 1
1 896 . 12 1 1 A 71 71 GLU C C 71 179.127 178.864 0.263 1
1 897 . 12 1 1 A 71 71 GLU CA C 71 57.934 59.652 -1.718 1
1 898 . 12 1 1 A 71 71 GLU CB C 71 29.266 29.504 -0.238 1
1 900 . 12 1 1 A 71 71 GLU N N 71 122.207 120.569 1.638 1
1 901 . 12 1 1 A 72 72 TYR H H 72 8.879 8.730 0.149 1
1 902 . 12 1 1 A 72 72 TYR HA H 72 4.010 4.207 -0.197 1
1 909 . 12 1 1 A 72 72 TYR C C 72 175.927 178.005 -2.078 1
1 910 . 12 1 1 A 72 72 TYR CA C 72 58.551 61.787 -3.236 1
1 911 . 12 1 1 A 72 72 TYR CB C 72 38.072 38.733 -0.661 1
1 912 . 12 1 1 A 72 72 TYR N N 72 121.813 122.230 -0.417 1
1 913 . 12 1 1 A 73 73 SER H H 73 8.414 8.287 0.127 1
1 914 . 12 1 1 A 73 73 SER HA H 73 3.462 4.104 -0.642 1
1 917 . 12 1 1 A 73 73 SER C C 73 175.127 176.633 -1.506 1
1 918 . 12 1 1 A 73 73 SER CA C 73 61.876 61.364 0.512 1
1 919 . 12 1 1 A 73 73 SER CB C 73 61.327 62.582 -1.255 1
1 920 . 12 1 1 A 73 73 SER N N 73 117.840 114.310 3.530 1
1 921 . 12 1 1 A 74 74 VAL H H 74 7.363 8.340 -0.977 1
1 922 . 12 1 1 A 74 74 VAL HA H 74 3.584 3.749 -0.165 1
1 930 . 12 1 1 A 74 74 VAL C C 74 178.027 177.733 0.294 1
1 931 . 12 1 1 A 74 74 VAL CA C 74 65.397 65.054 0.343 1
1 932 . 12 1 1 A 74 74 VAL CB C 74 30.300 31.578 -1.278 1
1 935 . 12 1 1 A 74 74 VAL N N 74 123.439 121.874 1.565 1
1 936 . 12 1 1 A 75 75 PHE H H 75 7.282 7.941 -0.659 1
1 937 . 12 1 1 A 75 75 PHE HA H 75 4.562 4.186 0.376 1
1 945 . 12 1 1 A 75 75 PHE C C 75 176.127 176.766 -0.639 1
1 946 . 12 1 1 A 75 75 PHE CA C 75 57.851 61.196 -3.345 1
1 947 . 12 1 1 A 75 75 PHE CB C 75 36.863 39.330 -2.467 1
1 948 . 12 1 1 A 75 75 PHE N N 75 122.766 122.525 0.241 1
1 949 . 12 1 1 A 76 76 LEU H H 76 7.823 8.012 -0.189 1
1 950 . 12 1 1 A 76 76 LEU HA H 76 3.445 3.609 -0.164 1
1 960 . 12 1 1 A 76 76 LEU C C 76 178.927 179.190 -0.263 1
1 961 . 12 1 1 A 76 76 LEU CA C 76 56.891 57.666 -0.775 1
1 962 . 12 1 1 A 76 76 LEU CB C 76 39.917 41.151 -1.234 1
1 966 . 12 1 1 A 76 76 LEU N N 76 115.619 119.208 -3.589 1
1 967 . 12 1 1 A 77 77 THR H H 77 7.858 8.160 -0.302 1
1 968 . 12 1 1 A 77 77 THR HA H 77 3.665 3.795 -0.130 1
1 974 . 12 1 1 A 77 77 THR C C 77 175.427 176.620 -1.193 1
1 975 . 12 1 1 A 77 77 THR CA C 77 66.127 66.750 -0.623 1
1 976 . 12 1 1 A 77 77 THR CB C 77 67.585 68.559 -0.974 1
1 978 . 12 1 1 A 77 77 THR N N 77 113.417 115.839 -2.422 1
1 979 . 12 1 1 A 78 78 MET H H 78 7.970 7.865 0.105 1
1 980 . 12 1 1 A 78 78 MET HA H 78 3.935 4.131 -0.196 1
1 988 . 12 1 1 A 78 78 MET C C 78 179.127 178.842 0.285 1
1 989 . 12 1 1 A 78 78 MET CA C 78 58.780 58.754 0.026 1
1 990 . 12 1 1 A 78 78 MET CB C 78 31.501 32.598 -1.097 1
1 993 . 12 1 1 A 78 78 MET N N 78 122.745 118.370 4.375 1
1 994 . 12 1 1 A 79 79 LEU H H 79 7.898 8.215 -0.317 1
1 995 . 12 1 1 A 79 79 LEU HA H 79 3.870 3.952 -0.082 1
1 1005 . 12 1 1 A 79 79 LEU C C 79 178.427 179.158 -0.731 1
1 1006 . 12 1 1 A 79 79 LEU CA C 79 56.843 57.965 -1.122 1
1 1007 . 12 1 1 A 79 79 LEU CB C 79 41.099 41.412 -0.313 1
1 1011 . 12 1 1 A 79 79 LEU N N 79 120.989 119.542 1.447 1
1 1012 . 12 1 1 A 80 80 CYS H H 80 8.400 8.446 -0.046 1
1 1013 . 12 1 1 A 80 80 CYS HA H 80 3.830 4.087 -0.257 1
1 1017 . 12 1 1 A 80 80 CYS C C 80 175.927 177.811 -1.884 1
1 1018 . 12 1 1 A 80 80 CYS CA C 80 64.044 62.754 1.290 1
1 1019 . 12 1 1 A 80 80 CYS CB C 80 25.626 26.164 -0.538 1
1 1020 . 12 1 1 A 80 80 CYS N N 80 117.746 116.963 0.783 1
1 1021 . 12 1 1 A 81 81 MET H H 81 8.295 8.114 0.181 1
1 1022 . 12 1 1 A 81 81 MET HA H 81 4.023 4.252 -0.229 1
1 1030 . 12 1 1 A 81 81 MET C C 81 177.327 178.153 -0.826 1
1 1031 . 12 1 1 A 81 81 MET CA C 81 57.601 58.770 -1.169 1
1 1032 . 12 1 1 A 81 81 MET CB C 81 30.668 32.236 -1.568 1
1 1035 . 12 1 1 A 81 81 MET N N 81 117.598 119.454 -1.856 1
1 1036 . 12 1 1 A 82 82 ALA H H 82 7.624 7.858 -0.234 1
1 1037 . 12 1 1 A 82 82 ALA HA H 82 4.061 4.079 -0.018 1
1 1041 . 12 1 1 A 82 82 ALA C C 82 179.627 179.597 0.030 1
1 1042 . 12 1 1 A 82 82 ALA CA C 82 53.856 55.225 -1.369 1
1 1043 . 12 1 1 A 82 82 ALA CB C 82 16.794 18.325 -1.531 1
1 1044 . 12 1 1 A 82 82 ALA N N 82 121.886 121.682 0.204 1
1 1045 . 12 1 1 A 83 83 TYR H H 83 8.476 7.891 0.585 1
1 1046 . 12 1 1 A 83 83 TYR HA H 83 4.147 4.358 -0.211 1
1 1053 . 12 1 1 A 83 83 TYR C C 83 178.127 178.356 -0.229 1
1 1054 . 12 1 1 A 83 83 TYR CA C 83 60.066 61.566 -1.500 1
1 1055 . 12 1 1 A 83 83 TYR CB C 83 36.546 37.412 -0.866 1
1 1056 . 12 1 1 A 83 83 TYR N N 83 119.136 116.257 2.879 1
1 1057 . 12 1 1 A 84 84 ASN H H 84 8.386 8.096 0.290 1
1 1058 . 12 1 1 A 84 84 ASN HA H 84 4.221 4.528 -0.307 1
1 1063 . 12 1 1 A 84 84 ASN C C 84 175.427 177.430 -2.003 1
1 1064 . 12 1 1 A 84 84 ASN CA C 84 56.123 56.657 -0.534 1
1 1065 . 12 1 1 A 84 84 ASN CB C 84 37.387 38.684 -1.297 1
1 1066 . 12 1 1 A 84 84 ASN N N 84 120.692 120.094 0.598 1
1 1068 . 12 1 1 A 85 85 ASP H H 85 7.611 7.630 -0.019 1
1 1069 . 12 1 1 A 85 85 ASP HA H 85 4.234 4.457 -0.223 1
1 1072 . 12 1 1 A 85 85 ASP C C 85 178.227 178.858 -0.631 1
1 1073 . 12 1 1 A 85 85 ASP CA C 85 56.752 57.040 -0.288 1
1 1074 . 12 1 1 A 85 85 ASP CB C 85 38.688 40.592 -1.904 1
1 1075 . 12 1 1 A 85 85 ASP N N 85 118.378 118.968 -0.590 1
1 1076 . 12 1 1 A 86 86 PHE H H 86 7.538 8.060 -0.522 1
1 1077 . 12 1 1 A 86 86 PHE HA H 86 4.291 4.126 0.165 1
1 1084 . 12 1 1 A 86 86 PHE C C 86 176.627 178.290 -1.663 1
1 1085 . 12 1 1 A 86 86 PHE CA C 86 58.743 61.473 -2.730 1
1 1086 . 12 1 1 A 86 86 PHE CB C 86 37.488 39.655 -2.167 1
1 1087 . 12 1 1 A 86 86 PHE N N 86 118.712 120.923 -2.211 1
1 1088 . 12 1 1 A 87 87 PHE H H 87 8.132 8.365 -0.233 1
1 1089 . 12 1 1 A 87 87 PHE HA H 87 3.906 4.165 -0.259 1
1 1096 . 12 1 1 A 87 87 PHE C C 87 176.627 176.725 -0.098 1
1 1097 . 12 1 1 A 87 87 PHE CA C 87 59.554 60.832 -1.278 1
1 1098 . 12 1 1 A 87 87 PHE CB C 87 38.017 39.592 -1.575 1
1 1099 . 12 1 1 A 87 87 PHE N N 87 121.649 119.114 2.535 1
1 1100 . 12 1 1 A 88 88 LEU H H 88 7.953 7.621 0.332 1
1 1101 . 12 1 1 A 88 88 LEU HA H 88 3.775 4.310 -0.535 1
1 1111 . 12 1 1 A 88 88 LEU C C 88 177.627 177.717 -0.090 1
1 1112 . 12 1 1 A 88 88 LEU CA C 88 55.078 55.444 -0.366 1
1 1113 . 12 1 1 A 88 88 LEU CB C 88 41.226 42.296 -1.070 1
1 1117 . 12 1 1 A 88 88 LEU N N 88 118.897 118.243 0.654 1
1 1118 . 12 1 1 A 89 89 GLU H H 89 7.475 8.093 -0.618 1
1 1119 . 12 1 1 A 89 89 GLU HA H 89 3.914 4.360 -0.446 1
1 1124 . 12 1 1 A 89 89 GLU C C 89 176.127 178.336 -2.209 1
1 1125 . 12 1 1 A 89 89 GLU CA C 89 56.926 57.647 -0.721 1
1 1126 . 12 1 1 A 89 89 GLU CB C 89 28.567 30.518 -1.951 1
1 1128 . 12 1 1 A 89 89 GLU N N 89 119.332 118.792 0.540 1
1 1129 . 12 1 1 A 90 90 ASP H H 90 7.750 8.454 -0.704 1
1 1130 . 12 1 1 A 90 90 ASP HA H 90 4.370 4.414 -0.044 1
1 1133 . 12 1 1 A 90 90 ASP C C 90 175.227 177.779 -2.552 1
1 1134 . 12 1 1 A 90 90 ASP CA C 90 53.593 56.646 -3.053 1
1 1135 . 12 1 1 A 90 90 ASP CB C 90 40.323 40.679 -0.356 1
1 1136 . 12 1 1 A 90 90 ASP N N 90 118.945 119.730 -0.785 1
1 1137 . 12 1 1 A 91 91 ASN H H 91 7.681 8.418 -0.737 1
1 1138 . 12 1 1 A 91 91 ASN HA H 91 4.495 4.423 0.072 1
1 1143 . 12 1 1 A 91 91 ASN C C 91 173.027 175.636 -2.609 1
1 1144 . 12 1 1 A 91 91 ASN CA C 91 52.041 53.570 -1.529 1
1 1145 . 12 1 1 A 91 91 ASN CB C 91 38.072 37.330 0.742 1
1 1146 . 12 1 1 A 91 91 ASN N N 91 118.171 114.296 3.875 1
1 10 . 13 1 1 A 2 2 GLU H H 2 8.776 8.713 0.063 1
1 11 . 13 1 1 A 2 2 GLU HA H 2 4.535 4.860 -0.325 1
1 16 . 13 1 1 A 2 2 GLU C C 2 175.627 176.293 -0.666 1
1 17 . 13 1 1 A 2 2 GLU CA C 2 55.573 54.282 1.291 1
1 18 . 13 1 1 A 2 2 GLU CB C 2 30.569 33.966 -3.397 1
1 20 . 13 1 1 A 2 2 GLU N N 2 124.305 122.404 1.901 1
1 21 . 13 1 1 A 3 3 THR H H 3 8.835 8.652 0.183 1
1 22 . 13 1 1 A 3 3 THR HA H 3 4.608 4.454 0.154 1
1 27 . 13 1 1 A 3 3 THR CA C 3 59.187 60.725 -1.538 1
1 28 . 13 1 1 A 3 3 THR CB C 3 67.385 68.985 -1.600 1
1 30 . 13 1 1 A 3 3 THR N N 3 116.176 115.323 0.853 1
1 31 . 13 1 1 A 4 4 PRO HA H 4 4.158 4.494 -0.336 1
1 38 . 13 1 1 A 4 4 PRO C C 4 179.327 177.977 1.350 1
1 39 . 13 1 1 A 4 4 PRO CA C 4 65.040 64.392 0.648 1
1 40 . 13 1 1 A 4 4 PRO CB C 4 30.616 31.893 -1.277 1
1 43 . 13 1 1 A 5 5 LEU H H 5 8.794 7.626 1.168 1
1 44 . 13 1 1 A 5 5 LEU HA H 5 3.944 4.033 -0.089 1
1 54 . 13 1 1 A 5 5 LEU C C 5 177.327 178.485 -1.158 1
1 55 . 13 1 1 A 5 5 LEU CA C 5 56.920 57.388 -0.468 1
1 56 . 13 1 1 A 5 5 LEU CB C 5 41.139 41.312 -0.173 1
1 60 . 13 1 1 A 5 5 LEU N N 5 118.892 117.509 1.383 1
1 61 . 13 1 1 A 6 6 GLU H H 6 7.664 8.292 -0.628 1
1 62 . 13 1 1 A 6 6 GLU HA H 6 3.744 3.820 -0.076 1
1 67 . 13 1 1 A 6 6 GLU C C 6 178.827 179.223 -0.396 1
1 68 . 13 1 1 A 6 6 GLU CA C 6 59.347 60.089 -0.742 1
1 69 . 13 1 1 A 6 6 GLU CB C 6 28.700 29.348 -0.648 1
1 71 . 13 1 1 A 6 6 GLU N N 6 118.741 119.671 -0.930 1
1 72 . 13 1 1 A 7 7 LYS H H 7 8.435 7.416 1.019 1
1 73 . 13 1 1 A 7 7 LYS HA H 7 3.909 4.022 -0.113 1
1 82 . 13 1 1 A 7 7 LYS C C 7 178.527 179.150 -0.623 1
1 83 . 13 1 1 A 7 7 LYS CA C 7 58.539 58.973 -0.434 1
1 84 . 13 1 1 A 7 7 LYS CB C 7 31.217 32.025 -0.808 1
1 88 . 13 1 1 A 7 7 LYS N N 7 119.285 119.219 0.066 1
1 89 . 13 1 1 A 8 8 ALA H H 8 8.008 7.914 0.094 1
1 90 . 13 1 1 A 8 8 ALA HA H 8 4.038 4.081 -0.043 1
1 94 . 13 1 1 A 8 8 ALA C C 8 178.327 180.252 -1.925 1
1 95 . 13 1 1 A 8 8 ALA CA C 8 54.356 55.021 -0.665 1
1 96 . 13 1 1 A 8 8 ALA CB C 8 17.509 18.423 -0.914 1
1 97 . 13 1 1 A 8 8 ALA N N 8 123.866 122.525 1.341 1
1 98 . 13 1 1 A 9 9 LEU H H 9 8.163 7.697 0.466 1
1 99 . 13 1 1 A 9 9 LEU HA H 9 3.809 3.944 -0.135 1
1 109 . 13 1 1 A 9 9 LEU C C 9 178.527 179.299 -0.772 1
1 110 . 13 1 1 A 9 9 LEU CA C 9 57.256 57.921 -0.665 1
1 111 . 13 1 1 A 9 9 LEU CB C 9 40.483 42.394 -1.911 1
1 115 . 13 1 1 A 9 9 LEU N N 9 119.134 118.636 0.498 1
1 116 . 13 1 1 A 10 10 THR H H 10 8.186 7.628 0.558 1
1 117 . 13 1 1 A 10 10 THR HA H 10 3.741 3.929 -0.188 1
1 122 . 13 1 1 A 10 10 THR C C 10 176.727 176.723 0.004 1
1 123 . 13 1 1 A 10 10 THR CA C 10 66.345 66.728 -0.383 1
1 124 . 13 1 1 A 10 10 THR CB C 10 67.558 68.667 -1.109 1
1 126 . 13 1 1 A 10 10 THR N N 10 114.355 113.927 0.428 1
1 127 . 13 1 1 A 11 11 THR H H 11 8.387 8.396 -0.009 1
1 128 . 13 1 1 A 11 11 THR HA H 11 3.963 3.917 0.046 1
1 133 . 13 1 1 A 11 11 THR C C 11 176.827 176.018 0.809 1
1 134 . 13 1 1 A 11 11 THR CA C 11 65.801 66.802 -1.001 1
1 135 . 13 1 1 A 11 11 THR CB C 11 67.140 68.093 -0.953 1
1 137 . 13 1 1 A 11 11 THR N N 11 120.801 117.183 3.618 1
1 138 . 13 1 1 A 12 12 MET H H 12 8.299 8.304 -0.005 1
1 139 . 13 1 1 A 12 12 MET HA H 12 3.872 4.273 -0.401 1
1 147 . 13 1 1 A 12 12 MET C C 12 177.827 178.223 -0.396 1
1 148 . 13 1 1 A 12 12 MET CA C 12 59.263 58.371 0.892 1
1 149 . 13 1 1 A 12 12 MET CB C 12 31.845 32.356 -0.511 1
1 152 . 13 1 1 A 12 12 MET N N 12 124.102 120.037 4.065 1
1 153 . 13 1 1 A 13 13 VAL H H 13 7.820 8.436 -0.616 1
1 154 . 13 1 1 A 13 13 VAL HA H 13 3.937 4.000 -0.063 1
1 162 . 13 1 1 A 13 13 VAL C C 13 177.127 178.655 -1.528 1
1 163 . 13 1 1 A 13 13 VAL CA C 13 65.677 66.174 -0.497 1
1 164 . 13 1 1 A 13 13 VAL CB C 13 31.656 31.900 -0.244 1
1 167 . 13 1 1 A 13 13 VAL N N 13 119.838 119.170 0.668 1
1 168 . 13 1 1 A 14 14 THR H H 14 9.107 8.242 0.865 1
1 169 . 13 1 1 A 14 14 THR HA H 14 3.654 3.938 -0.284 1
1 174 . 13 1 1 A 14 14 THR C C 14 177.527 176.739 0.788 1
1 175 . 13 1 1 A 14 14 THR CA C 14 65.273 65.972 -0.699 1
1 176 . 13 1 1 A 14 14 THR CB C 14 67.652 68.241 -0.589 1
1 178 . 13 1 1 A 14 14 THR N N 14 112.247 117.057 -4.810 1
1 179 . 13 1 1 A 15 15 THR H H 15 8.189 7.662 0.527 1
1 180 . 13 1 1 A 15 15 THR HA H 15 3.864 3.963 -0.099 1
1 186 . 13 1 1 A 15 15 THR C C 15 173.627 176.614 -2.987 1
1 187 . 13 1 1 A 15 15 THR CA C 15 66.930 65.859 1.071 1
1 188 . 13 1 1 A 15 15 THR CB C 15 66.539 68.114 -1.575 1
1 190 . 13 1 1 A 15 15 THR N N 15 117.691 112.637 5.054 1
1 191 . 13 1 1 A 16 16 PHE H H 16 6.850 8.175 -1.325 1
1 192 . 13 1 1 A 16 16 PHE HA H 16 3.417 4.138 -0.721 1
1 199 . 13 1 1 A 16 16 PHE C C 16 175.627 176.899 -1.272 1
1 200 . 13 1 1 A 16 16 PHE CA C 16 61.577 61.639 -0.062 1
1 201 . 13 1 1 A 16 16 PHE CB C 16 38.177 39.410 -1.233 1
1 202 . 13 1 1 A 16 16 PHE N N 16 120.169 123.934 -3.765 1
1 203 . 13 1 1 A 17 17 HIS H H 17 6.924 8.668 -1.744 1
1 204 . 13 1 1 A 17 17 HIS HA H 17 4.755 3.987 0.768 1
1 207 . 13 1 1 A 17 17 HIS C C 17 176.227 177.395 -1.168 1
1 208 . 13 1 1 A 17 17 HIS CA C 17 56.810 60.001 -3.191 1
1 209 . 13 1 1 A 17 17 HIS CB C 17 29.597 29.698 -0.101 1
1 210 . 13 1 1 A 17 17 HIS N N 17 115.499 118.661 -3.162 1
1 211 . 13 1 1 A 18 18 LYS H H 18 7.888 7.812 0.076 1
1 212 . 13 1 1 A 18 18 LYS HA H 18 3.870 3.926 -0.056 1
1 221 . 13 1 1 A 18 18 LYS C C 18 176.927 179.065 -2.138 1
1 222 . 13 1 1 A 18 18 LYS CA C 18 57.897 59.231 -1.334 1
1 223 . 13 1 1 A 18 18 LYS CB C 18 31.582 32.120 -0.538 1
1 227 . 13 1 1 A 18 18 LYS N N 18 121.217 118.620 2.597 1
1 228 . 13 1 1 A 19 19 TYR H H 19 6.928 8.266 -1.338 1
1 229 . 13 1 1 A 19 19 TYR HA H 19 4.163 4.080 0.083 1
1 234 . 13 1 1 A 19 19 TYR C C 19 175.027 178.148 -3.121 1
1 235 . 13 1 1 A 19 19 TYR CA C 19 59.335 60.300 -0.965 1
1 236 . 13 1 1 A 19 19 TYR CB C 19 39.515 37.764 1.751 1
1 237 . 13 1 1 A 19 19 TYR N N 19 114.488 120.345 -5.857 1
1 238 . 13 1 1 A 20 20 SER H H 20 8.021 8.159 -0.138 1
1 239 . 13 1 1 A 20 20 SER HA H 20 3.105 3.994 -0.889 1
1 242 . 13 1 1 A 20 20 SER C C 20 176.527 176.225 0.302 1
1 243 . 13 1 1 A 20 20 SER CA C 20 60.457 62.441 -1.984 1
1 244 . 13 1 1 A 20 20 SER CB C 20 60.326 62.236 -1.910 1
1 245 . 13 1 1 A 20 20 SER N N 20 112.624 115.906 -3.282 1
1 246 . 13 1 1 A 21 21 GLY H H 21 7.908 7.899 0.009 1
1 247 . 13 1 1 A 21 21 GLY HA2 H 21 4.197 3.875 0.322 1
1 248 . 13 1 1 A 21 21 GLY HA3 H 21 3.761 3.921 -0.160 1
1 249 . 13 1 1 A 21 21 GLY C C 21 173.027 175.376 -2.349 1
1 250 . 13 1 1 A 21 21 GLY CA C 21 44.357 45.708 -1.351 1
1 251 . 13 1 1 A 21 21 GLY N N 21 112.095 108.004 4.091 1
1 252 . 13 1 1 A 22 22 ARG H H 22 7.470 7.657 -0.187 1
1 253 . 13 1 1 A 22 22 ARG HA H 22 3.956 4.044 -0.088 1
1 260 . 13 1 1 A 22 22 ARG C C 22 176.327 176.132 0.195 1
1 261 . 13 1 1 A 22 22 ARG CA C 22 58.189 58.792 -0.603 1
1 262 . 13 1 1 A 22 22 ARG CB C 22 29.483 30.617 -1.134 1
1 265 . 13 1 1 A 22 22 ARG N N 22 122.481 120.841 1.640 1
1 266 . 13 1 1 A 23 23 GLU H H 23 9.412 7.319 2.093 1
1 267 . 13 1 1 A 23 23 GLU HA H 23 4.626 4.507 0.119 1
1 272 . 13 1 1 A 23 23 GLU C C 23 175.027 175.644 -0.617 1
1 273 . 13 1 1 A 23 23 GLU CA C 23 53.319 55.406 -2.087 1
1 274 . 13 1 1 A 23 23 GLU CB C 23 32.032 32.505 -0.473 1
1 276 . 13 1 1 A 23 23 GLU N N 23 116.123 115.140 0.983 1
1 277 . 13 1 1 A 24 24 GLY H H 24 9.080 8.516 0.564 1
1 278 . 13 1 1 A 24 24 GLY HA2 H 24 3.694 3.921 -0.227 1
1 279 . 13 1 1 A 24 24 GLY HA3 H 24 3.878 3.929 -0.051 1
1 280 . 13 1 1 A 24 24 GLY C C 24 172.827 174.093 -1.266 1
1 281 . 13 1 1 A 24 24 GLY CA C 24 44.707 45.844 -1.137 1
1 282 . 13 1 1 A 24 24 GLY N N 24 114.015 109.505 4.510 1
1 283 . 13 1 1 A 25 25 SER H H 25 8.465 8.451 0.014 1
1 284 . 13 1 1 A 25 25 SER HA H 25 4.312 4.572 -0.260 1
1 287 . 13 1 1 A 25 25 SER C C 25 178.027 174.120 3.907 1
1 288 . 13 1 1 A 25 25 SER CA C 25 57.478 58.457 -0.979 1
1 289 . 13 1 1 A 25 25 SER CB C 25 61.941 63.770 -1.829 1
1 290 . 13 1 1 A 25 25 SER N N 25 117.299 118.792 -1.493 1
1 291 . 13 1 1 A 26 26 LYS H H 26 9.532 8.445 1.087 1
1 292 . 13 1 1 A 26 26 LYS HA H 26 4.660 4.506 0.154 1
1 301 . 13 1 1 A 26 26 LYS C C 26 176.127 176.866 -0.739 1
1 302 . 13 1 1 A 26 26 LYS CA C 26 56.928 55.523 1.405 1
1 303 . 13 1 1 A 26 26 LYS CB C 26 30.526 33.437 -2.911 1
1 307 . 13 1 1 A 26 26 LYS N N 26 131.209 124.939 6.270 1
1 308 . 13 1 1 A 27 27 LEU H H 27 8.643 8.497 0.146 1
1 309 . 13 1 1 A 27 27 LEU HA H 27 4.583 3.673 0.910 1
1 319 . 13 1 1 A 27 27 LEU C C 27 174.827 175.352 -0.525 1
1 320 . 13 1 1 A 27 27 LEU CA C 27 53.205 56.998 -3.793 1
1 321 . 13 1 1 A 27 27 LEU CB C 27 41.824 39.989 1.835 1
1 325 . 13 1 1 A 27 27 LEU N N 27 118.729 118.910 -0.181 1
1 326 . 13 1 1 A 28 28 THR H H 28 7.037 7.600 -0.563 1
1 327 . 13 1 1 A 28 28 THR HA H 28 5.168 4.759 0.409 1
1 332 . 13 1 1 A 28 28 THR C C 28 172.727 172.984 -0.257 1
1 333 . 13 1 1 A 28 28 THR CA C 28 57.915 59.453 -1.538 1
1 334 . 13 1 1 A 28 28 THR CB C 28 71.934 71.973 -0.039 1
1 336 . 13 1 1 A 28 28 THR N N 28 104.663 111.037 -6.374 1
1 337 . 13 1 1 A 29 29 LEU H H 29 9.517 8.550 0.967 1
1 338 . 13 1 1 A 29 29 LEU HA H 29 5.196 5.229 -0.033 1
1 348 . 13 1 1 A 29 29 LEU C C 29 175.527 176.079 -0.552 1
1 349 . 13 1 1 A 29 29 LEU CA C 29 51.653 53.424 -1.771 1
1 350 . 13 1 1 A 29 29 LEU CB C 29 42.301 43.569 -1.268 1
1 354 . 13 1 1 A 29 29 LEU N N 29 125.388 119.256 6.132 1
1 355 . 13 1 1 A 30 30 SER H H 30 10.053 8.517 1.536 1
1 356 . 13 1 1 A 30 30 SER HA H 30 4.475 4.824 -0.349 1
1 359 . 13 1 1 A 30 30 SER C C 30 173.427 175.250 -1.823 1
1 360 . 13 1 1 A 30 30 SER CA C 30 55.011 57.051 -2.040 1
1 361 . 13 1 1 A 30 30 SER CB C 30 64.446 65.425 -0.979 1
1 362 . 13 1 1 A 30 30 SER N N 30 121.114 115.995 5.119 1
1 363 . 13 1 1 A 31 31 ARG H H 31 8.992 8.507 0.485 1
1 364 . 13 1 1 A 31 31 ARG HA H 31 3.923 3.942 -0.019 1
1 371 . 13 1 1 A 31 31 ARG C C 31 177.027 178.144 -1.117 1
1 372 . 13 1 1 A 31 31 ARG CA C 31 59.408 59.754 -0.346 1
1 373 . 13 1 1 A 31 31 ARG CB C 31 29.041 30.083 -1.042 1
1 376 . 13 1 1 A 31 31 ARG N N 31 120.513 122.614 -2.101 1
1 377 . 13 1 1 A 32 32 LYS H H 32 7.845 7.988 -0.143 1
1 378 . 13 1 1 A 32 32 LYS HA H 32 3.826 4.058 -0.232 1
1 387 . 13 1 1 A 32 32 LYS C C 32 178.927 178.800 0.127 1
1 388 . 13 1 1 A 32 32 LYS CA C 32 58.677 58.970 -0.293 1
1 389 . 13 1 1 A 32 32 LYS CB C 32 31.964 31.916 0.048 1
1 393 . 13 1 1 A 32 32 LYS N N 32 117.011 118.001 -0.990 1
1 394 . 13 1 1 A 33 33 GLU H H 33 7.612 8.359 -0.747 1
1 395 . 13 1 1 A 33 33 GLU HA H 33 3.954 4.068 -0.114 1
1 400 . 13 1 1 A 33 33 GLU C C 33 177.227 179.054 -1.827 1
1 401 . 13 1 1 A 33 33 GLU CA C 33 58.289 58.599 -0.310 1
1 402 . 13 1 1 A 33 33 GLU CB C 33 29.757 29.973 -0.216 1
1 404 . 13 1 1 A 33 33 GLU N N 33 120.815 119.425 1.390 1
1 405 . 13 1 1 A 34 34 LEU H H 34 8.694 7.803 0.891 1
1 406 . 13 1 1 A 34 34 LEU HA H 34 3.811 3.999 -0.188 1
1 416 . 13 1 1 A 34 34 LEU C C 34 176.927 178.767 -1.840 1
1 417 . 13 1 1 A 34 34 LEU CA C 34 57.025 57.539 -0.514 1
1 418 . 13 1 1 A 34 34 LEU CB C 34 40.638 41.530 -0.892 1
1 422 . 13 1 1 A 34 34 LEU N N 34 119.291 121.497 -2.206 1
1 423 . 13 1 1 A 35 35 LYS H H 35 8.114 7.868 0.246 1
1 424 . 13 1 1 A 35 35 LYS HA H 35 3.569 3.955 -0.386 1
1 433 . 13 1 1 A 35 35 LYS C C 35 177.027 179.499 -2.472 1
1 434 . 13 1 1 A 35 35 LYS CA C 35 59.419 60.093 -0.674 1
1 435 . 13 1 1 A 35 35 LYS CB C 35 31.271 31.942 -0.671 1
1 439 . 13 1 1 A 35 35 LYS N N 35 117.277 119.511 -2.234 1
1 440 . 13 1 1 A 36 36 GLU H H 36 7.560 7.661 -0.101 1
1 441 . 13 1 1 A 36 36 GLU HA H 36 3.845 4.051 -0.206 1
1 446 . 13 1 1 A 36 36 GLU C C 36 175.827 178.578 -2.751 1
1 447 . 13 1 1 A 36 36 GLU CA C 36 58.190 58.822 -0.632 1
1 448 . 13 1 1 A 36 36 GLU CB C 36 28.253 29.268 -1.015 1
1 450 . 13 1 1 A 36 36 GLU N N 36 119.302 119.752 -0.450 1
1 451 . 13 1 1 A 37 37 LEU H H 37 7.682 7.459 0.223 1
1 452 . 13 1 1 A 37 37 LEU HA H 37 2.280 2.913 -0.633 1
1 462 . 13 1 1 A 37 37 LEU C C 37 178.327 178.145 0.182 1
1 463 . 13 1 1 A 37 37 LEU CA C 37 58.225 57.629 0.596 1
1 464 . 13 1 1 A 37 37 LEU CB C 37 41.090 41.580 -0.490 1
1 468 . 13 1 1 A 37 37 LEU N N 37 121.690 119.959 1.731 1
1 469 . 13 1 1 A 38 38 ILE H H 38 8.157 7.973 0.184 1
1 470 . 13 1 1 A 38 38 ILE HA H 38 3.292 3.704 -0.412 1
1 480 . 13 1 1 A 38 38 ILE C C 38 177.027 177.672 -0.645 1
1 481 . 13 1 1 A 38 38 ILE CA C 38 65.007 65.465 -0.458 1
1 482 . 13 1 1 A 38 38 ILE CB C 38 37.187 37.659 -0.472 1
1 486 . 13 1 1 A 38 38 ILE N N 38 117.626 119.424 -1.798 1
1 487 . 13 1 1 A 39 39 LYS H H 39 8.068 7.437 0.631 1
1 488 . 13 1 1 A 39 39 LYS HA H 39 3.876 4.154 -0.278 1
1 497 . 13 1 1 A 39 39 LYS C C 39 177.927 177.552 0.375 1
1 498 . 13 1 1 A 39 39 LYS CA C 39 58.204 58.401 -0.197 1
1 499 . 13 1 1 A 39 39 LYS CB C 39 31.731 32.358 -0.627 1
1 503 . 13 1 1 A 39 39 LYS N N 39 117.909 119.930 -2.021 1
1 504 . 13 1 1 A 40 40 LYS H H 40 8.094 7.863 0.231 1
1 505 . 13 1 1 A 40 40 LYS HA H 40 4.248 4.478 -0.230 1
1 514 . 13 1 1 A 40 40 LYS C C 40 178.227 178.305 -0.078 1
1 515 . 13 1 1 A 40 40 LYS CA C 40 56.291 56.278 0.013 1
1 516 . 13 1 1 A 40 40 LYS CB C 40 32.652 33.478 -0.826 1
1 520 . 13 1 1 A 40 40 LYS N N 40 114.323 117.701 -3.378 1
1 521 . 13 1 1 A 41 41 GLU H H 41 8.381 7.893 0.488 1
1 522 . 13 1 1 A 41 41 GLU HA H 41 4.744 4.250 0.494 1
1 527 . 13 1 1 A 41 41 GLU C C 41 176.227 176.714 -0.487 1
1 528 . 13 1 1 A 41 41 GLU CA C 41 55.054 58.864 -3.810 1
1 529 . 13 1 1 A 41 41 GLU CB C 41 29.598 30.427 -0.829 1
1 531 . 13 1 1 A 41 41 GLU N N 41 113.079 119.790 -6.711 1
1 532 . 13 1 1 A 42 42 LEU H H 42 7.544 8.159 -0.615 1
1 533 . 13 1 1 A 42 42 LEU HA H 42 4.754 4.617 0.137 1
1 542 . 13 1 1 A 42 42 LEU CA C 42 52.564 54.175 -1.611 1
1 543 . 13 1 1 A 42 42 LEU CB C 42 43.848 41.129 2.719 1
1 546 . 13 1 1 A 42 42 LEU N N 42 118.458 119.472 -1.014 1
1 547 . 13 1 1 A 43 43 CYS H H 43 8.342 8.752 -0.410 1
1 548 . 13 1 1 A 43 43 CYS HA H 43 4.486 4.710 -0.224 1
1 551 . 13 1 1 A 43 43 CYS C C 43 174.327 174.945 -0.618 1
1 552 . 13 1 1 A 43 43 CYS CA C 43 57.655 58.831 -1.176 1
1 553 . 13 1 1 A 43 43 CYS CB C 43 25.653 26.816 -1.163 1
1 554 . 13 1 1 A 44 44 LEU H H 44 8.123 7.999 0.124 1
1 555 . 13 1 1 A 44 44 LEU HA H 44 4.339 4.609 -0.270 1
1 565 . 13 1 1 A 44 44 LEU C C 44 176.927 176.650 0.277 1
1 566 . 13 1 1 A 44 44 LEU CA C 44 53.750 54.523 -0.773 1
1 567 . 13 1 1 A 44 44 LEU CB C 44 40.784 43.290 -2.506 1
1 571 . 13 1 1 A 44 44 LEU N N 44 121.974 121.553 0.421 1
1 572 . 13 1 1 A 45 45 GLY H H 45 8.072 7.708 0.364 1
1 573 . 13 1 1 A 45 45 GLY HA2 H 45 3.889 4.024 -0.135 1
1 574 . 13 1 1 A 45 45 GLY HA3 H 45 3.698 4.078 -0.380 1
1 575 . 13 1 1 A 45 45 GLY C C 45 173.127 174.835 -1.708 1
1 576 . 13 1 1 A 45 45 GLY CA C 45 44.291 44.986 -0.695 1
1 577 . 13 1 1 A 45 45 GLY N N 45 107.819 105.422 2.397 1
1 578 . 13 1 1 A 46 46 GLU H H 46 8.472 8.364 0.108 1
1 579 . 13 1 1 A 46 46 GLU HA H 46 4.048 3.928 0.120 1
1 584 . 13 1 1 A 46 46 GLU C C 46 175.727 175.748 -0.021 1
1 585 . 13 1 1 A 46 46 GLU CA C 46 56.461 57.385 -0.924 1
1 586 . 13 1 1 A 46 46 GLU CB C 46 28.208 28.031 0.177 1
1 588 . 13 1 1 A 46 46 GLU N N 46 120.563 113.830 6.733 1
1 589 . 13 1 1 A 47 47 MET H H 47 8.189 7.867 0.322 1
1 590 . 13 1 1 A 47 47 MET HA H 47 4.413 4.399 0.014 1
1 598 . 13 1 1 A 47 47 MET C C 47 175.027 176.801 -1.774 1
1 599 . 13 1 1 A 47 47 MET CA C 47 53.905 56.757 -2.852 1
1 600 . 13 1 1 A 47 47 MET CB C 47 32.611 32.861 -0.250 1
1 603 . 13 1 1 A 47 47 MET N N 47 123.201 117.478 5.723 1
1 604 . 13 1 1 A 48 48 LYS H H 48 8.355 8.357 -0.002 1
1 605 . 13 1 1 A 48 48 LYS HA H 48 4.237 4.130 0.107 1
1 614 . 13 1 1 A 48 48 LYS C C 48 177.027 177.928 -0.901 1
1 615 . 13 1 1 A 48 48 LYS CA C 48 55.443 57.135 -1.692 1
1 616 . 13 1 1 A 48 48 LYS CB C 48 32.173 33.569 -1.396 1
1 620 . 13 1 1 A 48 48 LYS N N 48 123.046 125.660 -2.614 1
1 621 . 13 1 1 A 49 49 GLU H H 49 8.742 8.799 -0.057 1
1 622 . 13 1 1 A 49 49 GLU HA H 49 3.884 4.044 -0.160 1
1 627 . 13 1 1 A 49 49 GLU C C 49 177.727 178.304 -0.577 1
1 628 . 13 1 1 A 49 49 GLU CA C 49 58.534 59.222 -0.688 1
1 629 . 13 1 1 A 49 49 GLU CB C 49 27.870 29.017 -1.147 1
1 631 . 13 1 1 A 49 49 GLU N N 49 122.407 127.083 -4.676 1
1 632 . 13 1 1 A 50 50 SER H H 50 8.324 8.028 0.296 1
1 633 . 13 1 1 A 50 50 SER HA H 50 4.188 4.225 -0.037 1
1 636 . 13 1 1 A 50 50 SER C C 50 175.427 176.389 -0.962 1
1 637 . 13 1 1 A 50 50 SER CA C 50 59.402 61.002 -1.600 1
1 638 . 13 1 1 A 50 50 SER CB C 50 61.442 62.866 -1.424 1
1 639 . 13 1 1 A 50 50 SER N N 50 112.475 115.843 -3.368 1
1 640 . 13 1 1 A 51 51 SER H H 51 7.400 8.074 -0.674 1
1 641 . 13 1 1 A 51 51 SER HA H 51 3.926 4.325 -0.399 1
1 644 . 13 1 1 A 51 51 SER C C 51 176.027 175.925 0.102 1
1 645 . 13 1 1 A 51 51 SER CA C 51 59.762 60.989 -1.227 1
1 646 . 13 1 1 A 51 51 SER CB C 51 60.955 63.239 -2.284 1
1 647 . 13 1 1 A 51 51 SER N N 51 118.432 117.066 1.366 1
1 648 . 13 1 1 A 52 52 ILE H H 52 7.790 7.949 -0.159 1
1 649 . 13 1 1 A 52 52 ILE HA H 52 3.642 3.702 -0.060 1
1 659 . 13 1 1 A 52 52 ILE C C 52 176.427 178.205 -1.778 1
1 660 . 13 1 1 A 52 52 ILE CA C 52 61.984 64.602 -2.618 1
1 661 . 13 1 1 A 52 52 ILE CB C 52 34.990 36.830 -1.840 1
1 665 . 13 1 1 A 52 52 ILE N N 52 123.838 122.464 1.374 1
1 666 . 13 1 1 A 53 53 ASP H H 53 8.092 7.906 0.186 1
1 667 . 13 1 1 A 53 53 ASP HA H 53 4.225 4.373 -0.148 1
1 670 . 13 1 1 A 53 53 ASP C C 53 178.227 178.247 -0.020 1
1 671 . 13 1 1 A 53 53 ASP CA C 53 56.606 56.529 0.077 1
1 672 . 13 1 1 A 53 53 ASP CB C 53 39.034 41.004 -1.970 1
1 673 . 13 1 1 A 53 53 ASP N N 53 121.313 121.882 -0.569 1
1 674 . 13 1 1 A 54 54 ASP H H 54 7.811 8.042 -0.231 1
1 675 . 13 1 1 A 54 54 ASP HA H 54 4.253 4.357 -0.104 1
1 678 . 13 1 1 A 54 54 ASP C C 54 177.927 178.240 -0.313 1
1 679 . 13 1 1 A 54 54 ASP CA C 54 56.467 56.964 -0.497 1
1 680 . 13 1 1 A 54 54 ASP CB C 54 39.401 41.269 -1.868 1
1 681 . 13 1 1 A 54 54 ASP N N 54 120.122 119.842 0.280 1
1 682 . 13 1 1 A 55 55 LEU H H 55 7.789 7.959 -0.170 1
1 683 . 13 1 1 A 55 55 LEU HA H 55 3.979 4.028 -0.049 1
1 693 . 13 1 1 A 55 55 LEU C C 55 178.027 178.311 -0.284 1
1 694 . 13 1 1 A 55 55 LEU CA C 55 56.713 57.957 -1.244 1
1 695 . 13 1 1 A 55 55 LEU CB C 55 40.799 41.735 -0.936 1
1 699 . 13 1 1 A 55 55 LEU N N 55 122.944 120.457 2.487 1
1 700 . 13 1 1 A 56 56 MET H H 56 8.601 8.417 0.184 1
1 701 . 13 1 1 A 56 56 MET HA H 56 3.827 4.095 -0.268 1
1 709 . 13 1 1 A 56 56 MET C C 56 177.027 178.302 -1.275 1
1 710 . 13 1 1 A 56 56 MET CA C 56 57.116 58.383 -1.267 1
1 711 . 13 1 1 A 56 56 MET CB C 56 29.825 32.458 -2.633 1
1 714 . 13 1 1 A 56 56 MET N N 56 117.863 116.812 1.051 1
1 715 . 13 1 1 A 57 57 LYS H H 57 7.693 7.781 -0.088 1
1 716 . 13 1 1 A 57 57 LYS HA H 57 3.954 4.057 -0.103 1
1 725 . 13 1 1 A 57 57 LYS C C 57 178.127 178.589 -0.462 1
1 726 . 13 1 1 A 57 57 LYS CA C 57 58.352 58.903 -0.551 1
1 727 . 13 1 1 A 57 57 LYS CB C 57 31.315 31.829 -0.514 1
1 731 . 13 1 1 A 57 57 LYS N N 57 116.455 121.219 -4.764 1
1 732 . 13 1 1 A 58 58 SER H H 58 7.661 8.390 -0.729 1
1 733 . 13 1 1 A 58 58 SER HA H 58 4.115 4.237 -0.122 1
1 736 . 13 1 1 A 58 58 SER C C 58 174.827 177.040 -2.213 1
1 737 . 13 1 1 A 58 58 SER CA C 58 59.986 61.121 -1.135 1
1 738 . 13 1 1 A 58 58 SER CB C 58 62.464 63.063 -0.599 1
1 739 . 13 1 1 A 58 58 SER N N 58 113.020 114.860 -1.840 1
1 740 . 13 1 1 A 59 59 LEU H H 59 7.917 7.510 0.407 1
1 741 . 13 1 1 A 59 59 LEU HA H 59 4.269 4.223 0.046 1
1 751 . 13 1 1 A 59 59 LEU C C 59 177.627 177.839 -0.212 1
1 752 . 13 1 1 A 59 59 LEU CA C 59 54.402 57.068 -2.666 1
1 753 . 13 1 1 A 59 59 LEU CB C 59 43.731 42.735 0.996 1
1 757 . 13 1 1 A 59 59 LEU N N 59 117.463 120.473 -3.010 1
1 758 . 13 1 1 A 60 60 ASP H H 60 8.025 7.721 0.304 1
1 759 . 13 1 1 A 60 60 ASP HA H 60 4.566 4.958 -0.392 1
1 762 . 13 1 1 A 60 60 ASP C C 60 176.627 176.582 0.045 1
1 763 . 13 1 1 A 60 60 ASP CA C 60 52.335 53.365 -1.030 1
1 764 . 13 1 1 A 60 60 ASP CB C 60 38.139 40.443 -2.304 1
1 765 . 13 1 1 A 60 60 ASP N N 60 117.588 118.236 -0.648 1
1 766 . 13 1 1 A 61 61 LYS H H 61 8.100 8.459 -0.359 1
1 767 . 13 1 1 A 61 61 LYS HA H 61 4.035 4.054 -0.019 1
1 776 . 13 1 1 A 61 61 LYS C C 61 176.727 178.616 -1.889 1
1 777 . 13 1 1 A 61 61 LYS CA C 61 56.887 59.373 -2.486 1
1 778 . 13 1 1 A 61 61 LYS CB C 61 31.653 32.257 -0.604 1
1 782 . 13 1 1 A 61 61 LYS N N 61 126.943 126.224 0.719 1
1 783 . 13 1 1 A 62 62 ASN H H 62 7.864 7.732 0.132 1
1 784 . 13 1 1 A 62 62 ASN HA H 62 4.759 4.682 0.077 1
1 789 . 13 1 1 A 62 62 ASN C C 62 173.727 174.992 -1.265 1
1 790 . 13 1 1 A 62 62 ASN CA C 62 50.660 54.914 -4.254 1
1 791 . 13 1 1 A 62 62 ASN CB C 62 35.920 38.893 -2.973 1
1 792 . 13 1 1 A 62 62 ASN N N 62 113.588 116.133 -2.545 1
1 794 . 13 1 1 A 63 63 SER H H 63 7.613 8.437 -0.824 1
1 795 . 13 1 1 A 63 63 SER HA H 63 3.962 4.214 -0.252 1
1 798 . 13 1 1 A 63 63 SER C C 63 172.927 173.773 -0.846 1
1 799 . 13 1 1 A 63 63 SER CA C 63 58.262 58.831 -0.569 1
1 800 . 13 1 1 A 63 63 SER CB C 63 60.708 60.911 -0.203 1
1 801 . 13 1 1 A 63 63 SER N N 63 111.592 112.208 -0.616 1
1 802 . 13 1 1 A 64 64 ASP H H 64 8.217 8.220 -0.003 1
1 803 . 13 1 1 A 64 64 ASP HA H 64 4.653 4.838 -0.185 1
1 806 . 13 1 1 A 64 64 ASP C C 64 175.927 176.220 -0.293 1
1 807 . 13 1 1 A 64 64 ASP CA C 64 51.641 55.422 -3.781 1
1 808 . 13 1 1 A 64 64 ASP CB C 64 39.385 41.428 -2.043 1
1 809 . 13 1 1 A 64 64 ASP N N 64 118.913 118.483 0.430 1
1 810 . 13 1 1 A 65 65 GLN H H 65 10.239 7.071 3.168 1
1 811 . 13 1 1 A 65 65 GLN HA H 65 3.356 4.393 -1.037 1
1 818 . 13 1 1 A 65 65 GLN C C 65 172.627 175.712 -3.085 1
1 819 . 13 1 1 A 65 65 GLN CA C 65 56.325 56.289 0.036 1
1 820 . 13 1 1 A 65 65 GLN CB C 65 24.910 30.567 -5.657 1
1 822 . 13 1 1 A 65 65 GLN N N 65 114.908 114.885 0.023 1
1 824 . 13 1 1 A 66 66 GLU H H 66 7.710 8.431 -0.721 1
1 825 . 13 1 1 A 66 66 GLU HA H 66 4.691 4.530 0.161 1
1 830 . 13 1 1 A 66 66 GLU C C 66 174.127 175.589 -1.462 1
1 831 . 13 1 1 A 66 66 GLU CA C 66 52.987 55.849 -2.862 1
1 832 . 13 1 1 A 66 66 GLU CB C 66 32.433 30.884 1.549 1
1 834 . 13 1 1 A 66 66 GLU N N 66 115.721 121.147 -5.426 1
1 835 . 13 1 1 A 67 67 ILE H H 67 9.938 8.718 1.220 1
1 836 . 13 1 1 A 67 67 ILE HA H 67 5.291 4.672 0.619 1
1 846 . 13 1 1 A 67 67 ILE C C 67 175.627 175.955 -0.328 1
1 847 . 13 1 1 A 67 67 ILE CA C 67 56.241 60.414 -4.173 1
1 848 . 13 1 1 A 67 67 ILE CB C 67 35.492 39.259 -3.767 1
1 852 . 13 1 1 A 67 67 ILE N N 67 125.901 123.110 2.791 1
1 853 . 13 1 1 A 68 68 ASP H H 68 8.794 8.942 -0.148 1
1 854 . 13 1 1 A 68 68 ASP HA H 68 5.002 5.036 -0.034 1
1 857 . 13 1 1 A 68 68 ASP C C 68 174.427 176.623 -2.196 1
1 858 . 13 1 1 A 68 68 ASP CA C 68 51.563 52.997 -1.434 1
1 859 . 13 1 1 A 68 68 ASP CB C 68 40.493 41.309 -0.816 1
1 860 . 13 1 1 A 68 68 ASP N N 68 127.844 129.208 -1.364 1
1 861 . 13 1 1 A 69 69 PHE H H 69 9.068 9.207 -0.139 1
1 862 . 13 1 1 A 69 69 PHE HA H 69 3.130 3.809 -0.679 1
1 869 . 13 1 1 A 69 69 PHE C C 69 176.827 177.510 -0.683 1
1 870 . 13 1 1 A 69 69 PHE CA C 69 62.478 62.212 0.266 1
1 871 . 13 1 1 A 69 69 PHE CB C 69 38.096 39.630 -1.534 1
1 872 . 13 1 1 A 69 69 PHE N N 69 118.955 119.477 -0.522 1
1 873 . 13 1 1 A 70 70 LYS H H 70 8.123 8.395 -0.272 1
1 874 . 13 1 1 A 70 70 LYS HA H 70 3.871 4.230 -0.359 1
1 883 . 13 1 1 A 70 70 LYS C C 70 179.527 179.135 0.392 1
1 884 . 13 1 1 A 70 70 LYS CA C 70 59.457 58.748 0.709 1
1 885 . 13 1 1 A 70 70 LYS CB C 70 30.772 32.437 -1.665 1
1 889 . 13 1 1 A 70 70 LYS N N 70 120.287 118.134 2.153 1
1 890 . 13 1 1 A 71 71 GLU H H 71 8.746 8.415 0.331 1
1 891 . 13 1 1 A 71 71 GLU HA H 71 4.099 4.200 -0.101 1
1 896 . 13 1 1 A 71 71 GLU C C 71 179.127 178.829 0.298 1
1 897 . 13 1 1 A 71 71 GLU CA C 71 57.934 59.355 -1.421 1
1 898 . 13 1 1 A 71 71 GLU CB C 71 29.266 29.393 -0.127 1
1 900 . 13 1 1 A 71 71 GLU N N 71 122.207 120.593 1.614 1
1 901 . 13 1 1 A 72 72 TYR H H 72 8.879 8.599 0.280 1
1 902 . 13 1 1 A 72 72 TYR HA H 72 4.010 4.258 -0.248 1
1 909 . 13 1 1 A 72 72 TYR C C 72 175.927 177.864 -1.937 1
1 910 . 13 1 1 A 72 72 TYR CA C 72 58.551 61.765 -3.214 1
1 911 . 13 1 1 A 72 72 TYR CB C 72 38.072 38.540 -0.468 1
1 912 . 13 1 1 A 72 72 TYR N N 72 121.813 122.121 -0.308 1
1 913 . 13 1 1 A 73 73 SER H H 73 8.414 8.300 0.114 1
1 914 . 13 1 1 A 73 73 SER HA H 73 3.462 4.160 -0.698 1
1 917 . 13 1 1 A 73 73 SER C C 73 175.127 175.628 -0.501 1
1 918 . 13 1 1 A 73 73 SER CA C 73 61.876 61.505 0.371 1
1 919 . 13 1 1 A 73 73 SER CB C 73 61.327 63.172 -1.845 1
1 920 . 13 1 1 A 73 73 SER N N 73 117.840 116.037 1.803 1
1 921 . 13 1 1 A 74 74 VAL H H 74 7.363 7.692 -0.329 1
1 922 . 13 1 1 A 74 74 VAL HA H 74 3.584 3.731 -0.147 1
1 930 . 13 1 1 A 74 74 VAL C C 74 178.027 178.108 -0.081 1
1 931 . 13 1 1 A 74 74 VAL CA C 74 65.397 66.092 -0.695 1
1 932 . 13 1 1 A 74 74 VAL CB C 74 30.300 31.072 -0.772 1
1 935 . 13 1 1 A 74 74 VAL N N 74 123.439 121.527 1.912 1
1 936 . 13 1 1 A 75 75 PHE H H 75 7.282 8.309 -1.027 1
1 937 . 13 1 1 A 75 75 PHE HA H 75 4.562 4.114 0.448 1
1 945 . 13 1 1 A 75 75 PHE C C 75 176.127 177.094 -0.967 1
1 946 . 13 1 1 A 75 75 PHE CA C 75 57.851 61.097 -3.246 1
1 947 . 13 1 1 A 75 75 PHE CB C 75 36.863 39.086 -2.223 1
1 948 . 13 1 1 A 75 75 PHE N N 75 122.766 121.560 1.206 1
1 949 . 13 1 1 A 76 76 LEU H H 76 7.823 8.232 -0.409 1
1 950 . 13 1 1 A 76 76 LEU HA H 76 3.445 3.526 -0.081 1
1 960 . 13 1 1 A 76 76 LEU C C 76 178.927 178.875 0.052 1
1 961 . 13 1 1 A 76 76 LEU CA C 76 56.891 57.919 -1.028 1
1 962 . 13 1 1 A 76 76 LEU CB C 76 39.917 41.461 -1.544 1
1 966 . 13 1 1 A 76 76 LEU N N 76 115.619 119.136 -3.517 1
1 967 . 13 1 1 A 77 77 THR H H 77 7.858 7.888 -0.030 1
1 968 . 13 1 1 A 77 77 THR HA H 77 3.665 3.721 -0.056 1
1 974 . 13 1 1 A 77 77 THR C C 77 175.427 177.042 -1.615 1
1 975 . 13 1 1 A 77 77 THR CA C 77 66.127 66.806 -0.679 1
1 976 . 13 1 1 A 77 77 THR CB C 77 67.585 68.532 -0.947 1
1 978 . 13 1 1 A 77 77 THR N N 77 113.417 114.989 -1.572 1
1 979 . 13 1 1 A 78 78 MET H H 78 7.970 8.400 -0.430 1
1 980 . 13 1 1 A 78 78 MET HA H 78 3.935 4.177 -0.242 1
1 988 . 13 1 1 A 78 78 MET C C 78 179.127 178.944 0.183 1
1 989 . 13 1 1 A 78 78 MET CA C 78 58.780 58.174 0.606 1
1 990 . 13 1 1 A 78 78 MET CB C 78 31.501 32.462 -0.961 1
1 993 . 13 1 1 A 78 78 MET N N 78 122.745 119.264 3.481 1
1 994 . 13 1 1 A 79 79 LEU H H 79 7.898 8.033 -0.135 1
1 995 . 13 1 1 A 79 79 LEU HA H 79 3.870 4.031 -0.161 1
1 1005 . 13 1 1 A 79 79 LEU C C 79 178.427 178.656 -0.229 1
1 1006 . 13 1 1 A 79 79 LEU CA C 79 56.843 57.857 -1.014 1
1 1007 . 13 1 1 A 79 79 LEU CB C 79 41.099 41.596 -0.497 1
1 1011 . 13 1 1 A 79 79 LEU N N 79 120.989 121.416 -0.427 1
1 1012 . 13 1 1 A 80 80 CYS H H 80 8.400 8.700 -0.300 1
1 1013 . 13 1 1 A 80 80 CYS HA H 80 3.830 4.146 -0.316 1
1 1017 . 13 1 1 A 80 80 CYS C C 80 175.927 177.550 -1.623 1
1 1018 . 13 1 1 A 80 80 CYS CA C 80 64.044 62.764 1.280 1
1 1019 . 13 1 1 A 80 80 CYS CB C 80 25.626 26.635 -1.009 1
1 1020 . 13 1 1 A 80 80 CYS N N 80 117.746 116.620 1.126 1
1 1021 . 13 1 1 A 81 81 MET H H 81 8.295 8.516 -0.221 1
1 1022 . 13 1 1 A 81 81 MET HA H 81 4.023 4.173 -0.150 1
1 1030 . 13 1 1 A 81 81 MET C C 81 177.327 178.295 -0.968 1
1 1031 . 13 1 1 A 81 81 MET CA C 81 57.601 58.934 -1.333 1
1 1032 . 13 1 1 A 81 81 MET CB C 81 30.668 32.673 -2.005 1
1 1035 . 13 1 1 A 81 81 MET N N 81 117.598 119.927 -2.329 1
1 1036 . 13 1 1 A 82 82 ALA H H 82 7.624 7.859 -0.235 1
1 1037 . 13 1 1 A 82 82 ALA HA H 82 4.061 4.201 -0.140 1
1 1041 . 13 1 1 A 82 82 ALA C C 82 179.627 179.413 0.214 1
1 1042 . 13 1 1 A 82 82 ALA CA C 82 53.856 54.834 -0.978 1
1 1043 . 13 1 1 A 82 82 ALA CB C 82 16.794 18.503 -1.709 1
1 1044 . 13 1 1 A 82 82 ALA N N 82 121.886 121.650 0.236 1
1 1045 . 13 1 1 A 83 83 TYR H H 83 8.476 8.338 0.138 1
1 1046 . 13 1 1 A 83 83 TYR HA H 83 4.147 4.417 -0.270 1
1 1053 . 13 1 1 A 83 83 TYR C C 83 178.127 177.771 0.356 1
1 1054 . 13 1 1 A 83 83 TYR CA C 83 60.066 61.878 -1.812 1
1 1055 . 13 1 1 A 83 83 TYR CB C 83 36.546 37.666 -1.120 1
1 1056 . 13 1 1 A 83 83 TYR N N 83 119.136 118.738 0.398 1
1 1057 . 13 1 1 A 84 84 ASN H H 84 8.386 8.116 0.270 1
1 1058 . 13 1 1 A 84 84 ASN HA H 84 4.221 4.555 -0.334 1
1 1063 . 13 1 1 A 84 84 ASN C C 84 175.427 177.830 -2.403 1
1 1064 . 13 1 1 A 84 84 ASN CA C 84 56.123 56.819 -0.696 1
1 1065 . 13 1 1 A 84 84 ASN CB C 84 37.387 39.460 -2.073 1
1 1066 . 13 1 1 A 84 84 ASN N N 84 120.692 118.521 2.171 1
1 1068 . 13 1 1 A 85 85 ASP H H 85 7.611 8.251 -0.640 1
1 1069 . 13 1 1 A 85 85 ASP HA H 85 4.234 4.494 -0.260 1
1 1072 . 13 1 1 A 85 85 ASP C C 85 178.227 178.424 -0.197 1
1 1073 . 13 1 1 A 85 85 ASP CA C 85 56.752 57.228 -0.476 1
1 1074 . 13 1 1 A 85 85 ASP CB C 85 38.688 40.805 -2.117 1
1 1075 . 13 1 1 A 85 85 ASP N N 85 118.378 118.501 -0.123 1
1 1076 . 13 1 1 A 86 86 PHE H H 86 7.538 8.189 -0.651 1
1 1077 . 13 1 1 A 86 86 PHE HA H 86 4.291 4.246 0.045 1
1 1084 . 13 1 1 A 86 86 PHE C C 86 176.627 177.295 -0.668 1
1 1085 . 13 1 1 A 86 86 PHE CA C 86 58.743 61.292 -2.549 1
1 1086 . 13 1 1 A 86 86 PHE CB C 86 37.488 38.535 -1.047 1
1 1087 . 13 1 1 A 86 86 PHE N N 86 118.712 122.520 -3.808 1
1 1088 . 13 1 1 A 87 87 PHE H H 87 8.132 8.166 -0.034 1
1 1089 . 13 1 1 A 87 87 PHE HA H 87 3.906 4.133 -0.227 1
1 1096 . 13 1 1 A 87 87 PHE C C 87 176.627 177.229 -0.602 1
1 1097 . 13 1 1 A 87 87 PHE CA C 87 59.554 61.794 -2.240 1
1 1098 . 13 1 1 A 87 87 PHE CB C 87 38.017 39.414 -1.397 1
1 1099 . 13 1 1 A 87 87 PHE N N 87 121.649 119.596 2.053 1
1 1100 . 13 1 1 A 88 88 LEU H H 88 7.953 8.160 -0.207 1
1 1101 . 13 1 1 A 88 88 LEU HA H 88 3.775 3.773 0.002 1
1 1111 . 13 1 1 A 88 88 LEU C C 88 177.627 177.686 -0.059 1
1 1112 . 13 1 1 A 88 88 LEU CA C 88 55.078 56.880 -1.802 1
1 1113 . 13 1 1 A 88 88 LEU CB C 88 41.226 41.460 -0.234 1
1 1117 . 13 1 1 A 88 88 LEU N N 88 118.897 118.764 0.133 1
1 1118 . 13 1 1 A 89 89 GLU H H 89 7.475 7.709 -0.234 1
1 1119 . 13 1 1 A 89 89 GLU HA H 89 3.914 4.238 -0.324 1
1 1124 . 13 1 1 A 89 89 GLU C C 89 176.127 177.050 -0.923 1
1 1125 . 13 1 1 A 89 89 GLU CA C 89 56.926 57.217 -0.291 1
1 1126 . 13 1 1 A 89 89 GLU CB C 89 28.567 29.763 -1.196 1
1 1128 . 13 1 1 A 89 89 GLU N N 89 119.332 118.921 0.411 1
1 1129 . 13 1 1 A 90 90 ASP H H 90 7.750 7.981 -0.231 1
1 1130 . 13 1 1 A 90 90 ASP HA H 90 4.370 4.640 -0.270 1
1 1133 . 13 1 1 A 90 90 ASP C C 90 175.227 177.228 -2.001 1
1 1134 . 13 1 1 A 90 90 ASP CA C 90 53.593 55.956 -2.363 1
1 1135 . 13 1 1 A 90 90 ASP CB C 90 40.323 41.688 -1.365 1
1 1136 . 13 1 1 A 90 90 ASP N N 90 118.945 120.470 -1.525 1
1 1137 . 13 1 1 A 91 91 ASN H H 91 7.681 7.601 0.080 1
1 1138 . 13 1 1 A 91 91 ASN HA H 91 4.495 4.842 -0.347 1
1 1143 . 13 1 1 A 91 91 ASN C C 91 173.027 174.513 -1.486 1
1 1144 . 13 1 1 A 91 91 ASN CA C 91 52.041 52.673 -0.632 1
1 1145 . 13 1 1 A 91 91 ASN CB C 91 38.072 37.231 0.841 1
1 1146 . 13 1 1 A 91 91 ASN N N 91 118.171 116.086 2.085 1
1 10 . 14 1 1 A 2 2 GLU H H 2 8.776 8.562 0.214 1
1 11 . 14 1 1 A 2 2 GLU HA H 2 4.535 4.726 -0.191 1
1 16 . 14 1 1 A 2 2 GLU C C 2 175.627 176.561 -0.934 1
1 17 . 14 1 1 A 2 2 GLU CA C 2 55.573 54.816 0.757 1
1 18 . 14 1 1 A 2 2 GLU CB C 2 30.569 31.507 -0.938 1
1 20 . 14 1 1 A 2 2 GLU N N 2 124.305 121.790 2.515 1
1 21 . 14 1 1 A 3 3 THR H H 3 8.835 8.527 0.308 1
1 22 . 14 1 1 A 3 3 THR HA H 3 4.608 4.504 0.104 1
1 27 . 14 1 1 A 3 3 THR CA C 3 59.187 60.692 -1.505 1
1 28 . 14 1 1 A 3 3 THR CB C 3 67.385 68.727 -1.342 1
1 30 . 14 1 1 A 3 3 THR N N 3 116.176 115.168 1.008 1
1 31 . 14 1 1 A 4 4 PRO HA H 4 4.158 4.424 -0.266 1
1 38 . 14 1 1 A 4 4 PRO C C 4 179.327 177.742 1.585 1
1 39 . 14 1 1 A 4 4 PRO CA C 4 65.040 65.158 -0.118 1
1 40 . 14 1 1 A 4 4 PRO CB C 4 30.616 31.911 -1.295 1
1 43 . 14 1 1 A 5 5 LEU H H 5 8.794 7.727 1.067 1
1 44 . 14 1 1 A 5 5 LEU HA H 5 3.944 4.016 -0.072 1
1 54 . 14 1 1 A 5 5 LEU C C 5 177.327 178.566 -1.239 1
1 55 . 14 1 1 A 5 5 LEU CA C 5 56.920 57.409 -0.489 1
1 56 . 14 1 1 A 5 5 LEU CB C 5 41.139 41.753 -0.614 1
1 60 . 14 1 1 A 5 5 LEU N N 5 118.892 117.946 0.946 1
1 61 . 14 1 1 A 6 6 GLU H H 6 7.664 8.100 -0.436 1
1 62 . 14 1 1 A 6 6 GLU HA H 6 3.744 3.943 -0.199 1
1 67 . 14 1 1 A 6 6 GLU C C 6 178.827 179.599 -0.772 1
1 68 . 14 1 1 A 6 6 GLU CA C 6 59.347 59.697 -0.350 1
1 69 . 14 1 1 A 6 6 GLU CB C 6 28.700 29.090 -0.390 1
1 71 . 14 1 1 A 6 6 GLU N N 6 118.741 119.491 -0.750 1
1 72 . 14 1 1 A 7 7 LYS H H 7 8.435 7.992 0.443 1
1 73 . 14 1 1 A 7 7 LYS HA H 7 3.909 4.211 -0.302 1
1 82 . 14 1 1 A 7 7 LYS C C 7 178.527 178.953 -0.426 1
1 83 . 14 1 1 A 7 7 LYS CA C 7 58.539 58.998 -0.459 1
1 84 . 14 1 1 A 7 7 LYS CB C 7 31.217 32.044 -0.827 1
1 88 . 14 1 1 A 7 7 LYS N N 7 119.285 119.790 -0.505 1
1 89 . 14 1 1 A 8 8 ALA H H 8 8.008 7.952 0.056 1
1 90 . 14 1 1 A 8 8 ALA HA H 8 4.038 4.002 0.036 1
1 94 . 14 1 1 A 8 8 ALA C C 8 178.327 180.529 -2.202 1
1 95 . 14 1 1 A 8 8 ALA CA C 8 54.356 54.885 -0.529 1
1 96 . 14 1 1 A 8 8 ALA CB C 8 17.509 18.201 -0.692 1
1 97 . 14 1 1 A 8 8 ALA N N 8 123.866 122.480 1.386 1
1 98 . 14 1 1 A 9 9 LEU H H 9 8.163 8.448 -0.285 1
1 99 . 14 1 1 A 9 9 LEU HA H 9 3.809 4.064 -0.255 1
1 109 . 14 1 1 A 9 9 LEU C C 9 178.527 179.421 -0.894 1
1 110 . 14 1 1 A 9 9 LEU CA C 9 57.256 57.693 -0.437 1
1 111 . 14 1 1 A 9 9 LEU CB C 9 40.483 41.609 -1.126 1
1 115 . 14 1 1 A 9 9 LEU N N 9 119.134 118.522 0.612 1
1 116 . 14 1 1 A 10 10 THR H H 10 8.186 8.401 -0.215 1
1 117 . 14 1 1 A 10 10 THR HA H 10 3.741 4.068 -0.327 1
1 122 . 14 1 1 A 10 10 THR C C 10 176.727 177.068 -0.341 1
1 123 . 14 1 1 A 10 10 THR CA C 10 66.345 65.683 0.662 1
1 124 . 14 1 1 A 10 10 THR CB C 10 67.558 68.044 -0.486 1
1 126 . 14 1 1 A 10 10 THR N N 10 114.355 111.246 3.109 1
1 127 . 14 1 1 A 11 11 THR H H 11 8.387 7.906 0.481 1
1 128 . 14 1 1 A 11 11 THR HA H 11 3.963 3.990 -0.027 1
1 133 . 14 1 1 A 11 11 THR C C 11 176.827 175.761 1.066 1
1 134 . 14 1 1 A 11 11 THR CA C 11 65.801 66.854 -1.053 1
1 135 . 14 1 1 A 11 11 THR CB C 11 67.140 68.407 -1.267 1
1 137 . 14 1 1 A 11 11 THR N N 11 120.801 116.504 4.297 1
1 138 . 14 1 1 A 12 12 MET H H 12 8.299 7.939 0.360 1
1 139 . 14 1 1 A 12 12 MET HA H 12 3.872 4.244 -0.372 1
1 147 . 14 1 1 A 12 12 MET C C 12 177.827 177.999 -0.172 1
1 148 . 14 1 1 A 12 12 MET CA C 12 59.263 58.230 1.033 1
1 149 . 14 1 1 A 12 12 MET CB C 12 31.845 32.142 -0.297 1
1 152 . 14 1 1 A 12 12 MET N N 12 124.102 119.947 4.155 1
1 153 . 14 1 1 A 13 13 VAL H H 13 7.820 7.621 0.199 1
1 154 . 14 1 1 A 13 13 VAL HA H 13 3.937 4.019 -0.082 1
1 162 . 14 1 1 A 13 13 VAL C C 13 177.127 177.772 -0.645 1
1 163 . 14 1 1 A 13 13 VAL CA C 13 65.677 65.413 0.264 1
1 164 . 14 1 1 A 13 13 VAL CB C 13 31.656 31.127 0.529 1
1 167 . 14 1 1 A 13 13 VAL N N 13 119.838 114.506 5.332 1
1 168 . 14 1 1 A 14 14 THR H H 14 9.107 7.882 1.225 1
1 169 . 14 1 1 A 14 14 THR HA H 14 3.654 4.236 -0.582 1
1 174 . 14 1 1 A 14 14 THR C C 14 177.527 177.085 0.442 1
1 175 . 14 1 1 A 14 14 THR CA C 14 65.273 65.495 -0.222 1
1 176 . 14 1 1 A 14 14 THR CB C 14 67.652 68.687 -1.035 1
1 178 . 14 1 1 A 14 14 THR N N 14 112.247 116.957 -4.710 1
1 179 . 14 1 1 A 15 15 THR H H 15 8.189 8.168 0.021 1
1 180 . 14 1 1 A 15 15 THR HA H 15 3.864 4.238 -0.374 1
1 186 . 14 1 1 A 15 15 THR C C 15 173.627 176.668 -3.041 1
1 187 . 14 1 1 A 15 15 THR CA C 15 66.930 65.977 0.953 1
1 188 . 14 1 1 A 15 15 THR CB C 15 66.539 67.852 -1.313 1
1 190 . 14 1 1 A 15 15 THR N N 15 117.691 114.316 3.375 1
1 191 . 14 1 1 A 16 16 PHE H H 16 6.850 8.127 -1.277 1
1 192 . 14 1 1 A 16 16 PHE HA H 16 3.417 4.137 -0.720 1
1 199 . 14 1 1 A 16 16 PHE C C 16 175.627 177.257 -1.630 1
1 200 . 14 1 1 A 16 16 PHE CA C 16 61.577 61.499 0.078 1
1 201 . 14 1 1 A 16 16 PHE CB C 16 38.177 39.184 -1.007 1
1 202 . 14 1 1 A 16 16 PHE N N 16 120.169 124.080 -3.911 1
1 203 . 14 1 1 A 17 17 HIS H H 17 6.924 8.433 -1.509 1
1 204 . 14 1 1 A 17 17 HIS HA H 17 4.755 4.211 0.544 1
1 207 . 14 1 1 A 17 17 HIS C C 17 176.227 177.372 -1.145 1
1 208 . 14 1 1 A 17 17 HIS CA C 17 56.810 60.185 -3.375 1
1 209 . 14 1 1 A 17 17 HIS CB C 17 29.597 29.717 -0.120 1
1 210 . 14 1 1 A 17 17 HIS N N 17 115.499 117.032 -1.533 1
1 211 . 14 1 1 A 18 18 LYS H H 18 7.888 8.200 -0.312 1
1 212 . 14 1 1 A 18 18 LYS HA H 18 3.870 3.949 -0.079 1
1 221 . 14 1 1 A 18 18 LYS C C 18 176.927 178.779 -1.852 1
1 222 . 14 1 1 A 18 18 LYS CA C 18 57.897 58.964 -1.067 1
1 223 . 14 1 1 A 18 18 LYS CB C 18 31.582 32.145 -0.563 1
1 227 . 14 1 1 A 18 18 LYS N N 18 121.217 120.360 0.857 1
1 228 . 14 1 1 A 19 19 TYR H H 19 6.928 8.412 -1.484 1
1 229 . 14 1 1 A 19 19 TYR HA H 19 4.163 4.250 -0.087 1
1 234 . 14 1 1 A 19 19 TYR C C 19 175.027 177.972 -2.945 1
1 235 . 14 1 1 A 19 19 TYR CA C 19 59.335 60.572 -1.237 1
1 236 . 14 1 1 A 19 19 TYR CB C 19 39.515 37.632 1.883 1
1 237 . 14 1 1 A 19 19 TYR N N 19 114.488 119.214 -4.726 1
1 238 . 14 1 1 A 20 20 SER H H 20 8.021 8.353 -0.332 1
1 239 . 14 1 1 A 20 20 SER HA H 20 3.105 4.048 -0.943 1
1 242 . 14 1 1 A 20 20 SER C C 20 176.527 175.920 0.607 1
1 243 . 14 1 1 A 20 20 SER CA C 20 60.457 60.864 -0.407 1
1 244 . 14 1 1 A 20 20 SER CB C 20 60.326 62.860 -2.534 1
1 245 . 14 1 1 A 20 20 SER N N 20 112.624 116.083 -3.459 1
1 246 . 14 1 1 A 21 21 GLY H H 21 7.908 8.346 -0.438 1
1 247 . 14 1 1 A 21 21 GLY HA2 H 21 4.197 3.921 0.276 1
1 248 . 14 1 1 A 21 21 GLY HA3 H 21 3.761 3.973 -0.212 1
1 249 . 14 1 1 A 21 21 GLY C C 21 173.027 175.015 -1.988 1
1 250 . 14 1 1 A 21 21 GLY CA C 21 44.357 45.827 -1.470 1
1 251 . 14 1 1 A 21 21 GLY N N 21 112.095 107.215 4.880 1
1 252 . 14 1 1 A 22 22 ARG H H 22 7.470 7.724 -0.254 1
1 253 . 14 1 1 A 22 22 ARG HA H 22 3.956 4.195 -0.239 1
1 260 . 14 1 1 A 22 22 ARG C C 22 176.327 176.037 0.290 1
1 261 . 14 1 1 A 22 22 ARG CA C 22 58.189 57.420 0.769 1
1 262 . 14 1 1 A 22 22 ARG CB C 22 29.483 30.954 -1.471 1
1 265 . 14 1 1 A 22 22 ARG N N 22 122.481 119.324 3.157 1
1 266 . 14 1 1 A 23 23 GLU H H 23 9.412 8.307 1.105 1
1 267 . 14 1 1 A 23 23 GLU HA H 23 4.626 4.531 0.095 1
1 272 . 14 1 1 A 23 23 GLU C C 23 175.027 175.729 -0.702 1
1 273 . 14 1 1 A 23 23 GLU CA C 23 53.319 56.023 -2.704 1
1 274 . 14 1 1 A 23 23 GLU CB C 23 32.032 32.940 -0.908 1
1 276 . 14 1 1 A 23 23 GLU N N 23 116.123 117.706 -1.583 1
1 277 . 14 1 1 A 24 24 GLY H H 24 9.080 8.642 0.438 1
1 278 . 14 1 1 A 24 24 GLY HA2 H 24 3.694 3.865 -0.171 1
1 279 . 14 1 1 A 24 24 GLY HA3 H 24 3.878 3.893 -0.015 1
1 280 . 14 1 1 A 24 24 GLY C C 24 172.827 174.008 -1.181 1
1 281 . 14 1 1 A 24 24 GLY CA C 24 44.707 46.802 -2.095 1
1 282 . 14 1 1 A 24 24 GLY N N 24 114.015 113.674 0.341 1
1 283 . 14 1 1 A 25 25 SER H H 25 8.465 8.550 -0.085 1
1 284 . 14 1 1 A 25 25 SER HA H 25 4.312 4.610 -0.298 1
1 287 . 14 1 1 A 25 25 SER C C 25 178.027 174.504 3.523 1
1 288 . 14 1 1 A 25 25 SER CA C 25 57.478 57.947 -0.469 1
1 289 . 14 1 1 A 25 25 SER CB C 25 61.941 64.175 -2.234 1
1 290 . 14 1 1 A 25 25 SER N N 25 117.299 119.560 -2.261 1
1 291 . 14 1 1 A 26 26 LYS H H 26 9.532 8.714 0.818 1
1 292 . 14 1 1 A 26 26 LYS HA H 26 4.660 4.613 0.047 1
1 301 . 14 1 1 A 26 26 LYS C C 26 176.127 175.846 0.281 1
1 302 . 14 1 1 A 26 26 LYS CA C 26 56.928 55.473 1.455 1
1 303 . 14 1 1 A 26 26 LYS CB C 26 30.526 31.756 -1.230 1
1 307 . 14 1 1 A 26 26 LYS N N 26 131.209 124.190 7.019 1
1 308 . 14 1 1 A 27 27 LEU H H 27 8.643 8.048 0.595 1
1 309 . 14 1 1 A 27 27 LEU HA H 27 4.583 4.663 -0.080 1
1 319 . 14 1 1 A 27 27 LEU C C 27 174.827 176.247 -1.420 1
1 320 . 14 1 1 A 27 27 LEU CA C 27 53.205 55.324 -2.119 1
1 321 . 14 1 1 A 27 27 LEU CB C 27 41.824 43.989 -2.165 1
1 325 . 14 1 1 A 27 27 LEU N N 27 118.729 118.748 -0.019 1
1 326 . 14 1 1 A 28 28 THR H H 28 7.037 7.717 -0.680 1
1 327 . 14 1 1 A 28 28 THR HA H 28 5.168 5.183 -0.015 1
1 332 . 14 1 1 A 28 28 THR C C 28 172.727 173.502 -0.775 1
1 333 . 14 1 1 A 28 28 THR CA C 28 57.915 59.396 -1.481 1
1 334 . 14 1 1 A 28 28 THR CB C 28 71.934 71.843 0.091 1
1 336 . 14 1 1 A 28 28 THR N N 28 104.663 110.848 -6.185 1
1 337 . 14 1 1 A 29 29 LEU H H 29 9.517 9.209 0.308 1
1 338 . 14 1 1 A 29 29 LEU HA H 29 5.196 4.931 0.265 1
1 348 . 14 1 1 A 29 29 LEU C C 29 175.527 175.987 -0.460 1
1 349 . 14 1 1 A 29 29 LEU CA C 29 51.653 53.450 -1.797 1
1 350 . 14 1 1 A 29 29 LEU CB C 29 42.301 42.131 0.170 1
1 354 . 14 1 1 A 29 29 LEU N N 29 125.388 123.365 2.023 1
1 355 . 14 1 1 A 30 30 SER H H 30 10.053 9.426 0.627 1
1 356 . 14 1 1 A 30 30 SER HA H 30 4.475 4.777 -0.302 1
1 359 . 14 1 1 A 30 30 SER C C 30 173.427 175.426 -1.999 1
1 360 . 14 1 1 A 30 30 SER CA C 30 55.011 57.873 -2.862 1
1 361 . 14 1 1 A 30 30 SER CB C 30 64.446 64.329 0.117 1
1 362 . 14 1 1 A 30 30 SER N N 30 121.114 121.086 0.028 1
1 363 . 14 1 1 A 31 31 ARG H H 31 8.992 8.954 0.038 1
1 364 . 14 1 1 A 31 31 ARG HA H 31 3.923 3.921 0.002 1
1 371 . 14 1 1 A 31 31 ARG C C 31 177.027 177.827 -0.800 1
1 372 . 14 1 1 A 31 31 ARG CA C 31 59.408 59.825 -0.417 1
1 373 . 14 1 1 A 31 31 ARG CB C 31 29.041 30.316 -1.275 1
1 376 . 14 1 1 A 31 31 ARG N N 31 120.513 124.330 -3.817 1
1 377 . 14 1 1 A 32 32 LYS H H 32 7.845 8.229 -0.384 1
1 378 . 14 1 1 A 32 32 LYS HA H 32 3.826 4.261 -0.435 1
1 387 . 14 1 1 A 32 32 LYS C C 32 178.927 178.910 0.017 1
1 388 . 14 1 1 A 32 32 LYS CA C 32 58.677 57.511 1.166 1
1 389 . 14 1 1 A 32 32 LYS CB C 32 31.964 33.054 -1.090 1
1 393 . 14 1 1 A 32 32 LYS N N 32 117.011 117.686 -0.675 1
1 394 . 14 1 1 A 33 33 GLU H H 33 7.612 7.878 -0.266 1
1 395 . 14 1 1 A 33 33 GLU HA H 33 3.954 4.058 -0.104 1
1 400 . 14 1 1 A 33 33 GLU C C 33 177.227 178.511 -1.284 1
1 401 . 14 1 1 A 33 33 GLU CA C 33 58.289 59.132 -0.843 1
1 402 . 14 1 1 A 33 33 GLU CB C 33 29.757 29.230 0.527 1
1 404 . 14 1 1 A 33 33 GLU N N 33 120.815 119.982 0.833 1
1 405 . 14 1 1 A 34 34 LEU H H 34 8.694 8.403 0.291 1
1 406 . 14 1 1 A 34 34 LEU HA H 34 3.811 3.998 -0.187 1
1 416 . 14 1 1 A 34 34 LEU C C 34 176.927 178.337 -1.410 1
1 417 . 14 1 1 A 34 34 LEU CA C 34 57.025 57.859 -0.834 1
1 418 . 14 1 1 A 34 34 LEU CB C 34 40.638 41.693 -1.055 1
1 422 . 14 1 1 A 34 34 LEU N N 34 119.291 121.048 -1.757 1
1 423 . 14 1 1 A 35 35 LYS H H 35 8.114 7.744 0.370 1
1 424 . 14 1 1 A 35 35 LYS HA H 35 3.569 3.843 -0.274 1
1 433 . 14 1 1 A 35 35 LYS C C 35 177.027 178.451 -1.424 1
1 434 . 14 1 1 A 35 35 LYS CA C 35 59.419 59.818 -0.399 1
1 435 . 14 1 1 A 35 35 LYS CB C 35 31.271 32.204 -0.933 1
1 439 . 14 1 1 A 35 35 LYS N N 35 117.277 118.906 -1.629 1
1 440 . 14 1 1 A 36 36 GLU H H 36 7.560 7.900 -0.340 1
1 441 . 14 1 1 A 36 36 GLU HA H 36 3.845 4.223 -0.378 1
1 446 . 14 1 1 A 36 36 GLU C C 36 175.827 178.683 -2.856 1
1 447 . 14 1 1 A 36 36 GLU CA C 36 58.190 58.828 -0.638 1
1 448 . 14 1 1 A 36 36 GLU CB C 36 28.253 29.483 -1.230 1
1 450 . 14 1 1 A 36 36 GLU N N 36 119.302 119.211 0.091 1
1 451 . 14 1 1 A 37 37 LEU H H 37 7.682 7.793 -0.111 1
1 452 . 14 1 1 A 37 37 LEU HA H 37 2.280 3.675 -1.395 1
1 462 . 14 1 1 A 37 37 LEU C C 37 178.327 178.628 -0.301 1
1 463 . 14 1 1 A 37 37 LEU CA C 37 58.225 58.453 -0.228 1
1 464 . 14 1 1 A 37 37 LEU CB C 37 41.090 41.621 -0.531 1
1 468 . 14 1 1 A 37 37 LEU N N 37 121.690 120.665 1.025 1
1 469 . 14 1 1 A 38 38 ILE H H 38 8.157 7.946 0.211 1
1 470 . 14 1 1 A 38 38 ILE HA H 38 3.292 3.643 -0.351 1
1 480 . 14 1 1 A 38 38 ILE C C 38 177.027 177.960 -0.933 1
1 481 . 14 1 1 A 38 38 ILE CA C 38 65.007 65.725 -0.718 1
1 482 . 14 1 1 A 38 38 ILE CB C 38 37.187 37.750 -0.563 1
1 486 . 14 1 1 A 38 38 ILE N N 38 117.626 120.231 -2.605 1
1 487 . 14 1 1 A 39 39 LYS H H 39 8.068 7.504 0.564 1
1 488 . 14 1 1 A 39 39 LYS HA H 39 3.876 4.107 -0.231 1
1 497 . 14 1 1 A 39 39 LYS C C 39 177.927 178.354 -0.427 1
1 498 . 14 1 1 A 39 39 LYS CA C 39 58.204 58.542 -0.338 1
1 499 . 14 1 1 A 39 39 LYS CB C 39 31.731 32.342 -0.611 1
1 503 . 14 1 1 A 39 39 LYS N N 39 117.909 120.111 -2.202 1
1 504 . 14 1 1 A 40 40 LYS H H 40 8.094 7.810 0.284 1
1 505 . 14 1 1 A 40 40 LYS HA H 40 4.248 4.346 -0.098 1
1 514 . 14 1 1 A 40 40 LYS C C 40 178.227 178.810 -0.583 1
1 515 . 14 1 1 A 40 40 LYS CA C 40 56.291 58.663 -2.372 1
1 516 . 14 1 1 A 40 40 LYS CB C 40 32.652 32.550 0.102 1
1 520 . 14 1 1 A 40 40 LYS N N 40 114.323 118.517 -4.194 1
1 521 . 14 1 1 A 41 41 GLU H H 41 8.381 8.471 -0.090 1
1 522 . 14 1 1 A 41 41 GLU HA H 41 4.744 3.994 0.750 1
1 527 . 14 1 1 A 41 41 GLU C C 41 176.227 177.612 -1.385 1
1 528 . 14 1 1 A 41 41 GLU CA C 41 55.054 59.456 -4.402 1
1 529 . 14 1 1 A 41 41 GLU CB C 41 29.598 29.564 0.034 1
1 531 . 14 1 1 A 41 41 GLU N N 41 113.079 119.013 -5.934 1
1 532 . 14 1 1 A 42 42 LEU H H 42 7.544 7.841 -0.297 1
1 533 . 14 1 1 A 42 42 LEU HA H 42 4.754 4.577 0.177 1
1 542 . 14 1 1 A 42 42 LEU CA C 42 52.564 54.603 -2.039 1
1 543 . 14 1 1 A 42 42 LEU CB C 42 43.848 42.643 1.205 1
1 546 . 14 1 1 A 42 42 LEU N N 42 118.458 117.685 0.773 1
1 547 . 14 1 1 A 43 43 CYS H H 43 8.342 7.398 0.944 1
1 548 . 14 1 1 A 43 43 CYS HA H 43 4.486 4.517 -0.031 1
1 551 . 14 1 1 A 43 43 CYS C C 43 174.327 175.436 -1.109 1
1 552 . 14 1 1 A 43 43 CYS CA C 43 57.655 58.092 -0.437 1
1 553 . 14 1 1 A 43 43 CYS CB C 43 25.653 26.327 -0.674 1
1 554 . 14 1 1 A 44 44 LEU H H 44 8.123 8.834 -0.711 1
1 555 . 14 1 1 A 44 44 LEU HA H 44 4.339 4.275 0.064 1
1 565 . 14 1 1 A 44 44 LEU C C 44 176.927 177.488 -0.561 1
1 566 . 14 1 1 A 44 44 LEU CA C 44 53.750 58.043 -4.293 1
1 567 . 14 1 1 A 44 44 LEU CB C 44 40.784 42.825 -2.041 1
1 571 . 14 1 1 A 44 44 LEU N N 44 121.974 128.087 -6.113 1
1 572 . 14 1 1 A 45 45 GLY H H 45 8.072 7.834 0.238 1
1 573 . 14 1 1 A 45 45 GLY HA2 H 45 3.889 4.159 -0.270 1
1 574 . 14 1 1 A 45 45 GLY HA3 H 45 3.698 4.160 -0.462 1
1 575 . 14 1 1 A 45 45 GLY C C 45 173.127 172.803 0.324 1
1 576 . 14 1 1 A 45 45 GLY CA C 45 44.291 44.159 0.132 1
1 577 . 14 1 1 A 45 45 GLY N N 45 107.819 104.712 3.107 1
1 578 . 14 1 1 A 46 46 GLU H H 46 8.472 8.511 -0.039 1
1 579 . 14 1 1 A 46 46 GLU HA H 46 4.048 4.818 -0.770 1
1 584 . 14 1 1 A 46 46 GLU C C 46 175.727 176.178 -0.451 1
1 585 . 14 1 1 A 46 46 GLU CA C 46 56.461 55.610 0.851 1
1 586 . 14 1 1 A 46 46 GLU CB C 46 28.208 30.770 -2.562 1
1 588 . 14 1 1 A 46 46 GLU N N 46 120.563 117.928 2.635 1
1 589 . 14 1 1 A 47 47 MET H H 47 8.189 8.782 -0.593 1
1 590 . 14 1 1 A 47 47 MET HA H 47 4.413 4.490 -0.077 1
1 598 . 14 1 1 A 47 47 MET C C 47 175.027 176.012 -0.985 1
1 599 . 14 1 1 A 47 47 MET CA C 47 53.905 55.275 -1.370 1
1 600 . 14 1 1 A 47 47 MET CB C 47 32.611 33.317 -0.706 1
1 603 . 14 1 1 A 47 47 MET N N 47 123.201 122.988 0.213 1
1 604 . 14 1 1 A 48 48 LYS H H 48 8.355 8.845 -0.490 1
1 605 . 14 1 1 A 48 48 LYS HA H 48 4.237 4.455 -0.218 1
1 614 . 14 1 1 A 48 48 LYS C C 48 177.027 178.108 -1.081 1
1 615 . 14 1 1 A 48 48 LYS CA C 48 55.443 55.862 -0.419 1
1 616 . 14 1 1 A 48 48 LYS CB C 48 32.173 33.058 -0.885 1
1 620 . 14 1 1 A 48 48 LYS N N 48 123.046 123.089 -0.043 1
1 621 . 14 1 1 A 49 49 GLU H H 49 8.742 9.031 -0.289 1
1 622 . 14 1 1 A 49 49 GLU HA H 49 3.884 4.066 -0.182 1
1 627 . 14 1 1 A 49 49 GLU C C 49 177.727 178.662 -0.935 1
1 628 . 14 1 1 A 49 49 GLU CA C 49 58.534 59.416 -0.882 1
1 629 . 14 1 1 A 49 49 GLU CB C 49 27.870 29.164 -1.294 1
1 631 . 14 1 1 A 49 49 GLU N N 49 122.407 122.422 -0.015 1
1 632 . 14 1 1 A 50 50 SER H H 50 8.324 8.332 -0.008 1
1 633 . 14 1 1 A 50 50 SER HA H 50 4.188 4.192 -0.004 1
1 636 . 14 1 1 A 50 50 SER C C 50 175.427 177.283 -1.856 1
1 637 . 14 1 1 A 50 50 SER CA C 50 59.402 61.464 -2.062 1
1 638 . 14 1 1 A 50 50 SER CB C 50 61.442 62.602 -1.160 1
1 639 . 14 1 1 A 50 50 SER N N 50 112.475 115.708 -3.233 1
1 640 . 14 1 1 A 51 51 SER H H 51 7.400 8.050 -0.650 1
1 641 . 14 1 1 A 51 51 SER HA H 51 3.926 4.248 -0.322 1
1 644 . 14 1 1 A 51 51 SER C C 51 176.027 176.423 -0.396 1
1 645 . 14 1 1 A 51 51 SER CA C 51 59.762 62.133 -2.371 1
1 646 . 14 1 1 A 51 51 SER CB C 51 60.955 62.922 -1.967 1
1 647 . 14 1 1 A 51 51 SER N N 51 118.432 116.099 2.333 1
1 648 . 14 1 1 A 52 52 ILE H H 52 7.790 8.041 -0.251 1
1 649 . 14 1 1 A 52 52 ILE HA H 52 3.642 3.679 -0.037 1
1 659 . 14 1 1 A 52 52 ILE C C 52 176.427 178.234 -1.807 1
1 660 . 14 1 1 A 52 52 ILE CA C 52 61.984 65.177 -3.193 1
1 661 . 14 1 1 A 52 52 ILE CB C 52 34.990 37.059 -2.069 1
1 665 . 14 1 1 A 52 52 ILE N N 52 123.838 121.637 2.201 1
1 666 . 14 1 1 A 53 53 ASP H H 53 8.092 7.955 0.137 1
1 667 . 14 1 1 A 53 53 ASP HA H 53 4.225 4.405 -0.180 1
1 670 . 14 1 1 A 53 53 ASP C C 53 178.227 178.491 -0.264 1
1 671 . 14 1 1 A 53 53 ASP CA C 53 56.606 56.882 -0.276 1
1 672 . 14 1 1 A 53 53 ASP CB C 53 39.034 40.480 -1.446 1
1 673 . 14 1 1 A 53 53 ASP N N 53 121.313 121.599 -0.286 1
1 674 . 14 1 1 A 54 54 ASP H H 54 7.811 7.857 -0.046 1
1 675 . 14 1 1 A 54 54 ASP HA H 54 4.253 4.400 -0.147 1
1 678 . 14 1 1 A 54 54 ASP C C 54 177.927 178.234 -0.307 1
1 679 . 14 1 1 A 54 54 ASP CA C 54 56.467 57.128 -0.661 1
1 680 . 14 1 1 A 54 54 ASP CB C 54 39.401 41.072 -1.671 1
1 681 . 14 1 1 A 54 54 ASP N N 54 120.122 119.608 0.514 1
1 682 . 14 1 1 A 55 55 LEU H H 55 7.789 7.658 0.131 1
1 683 . 14 1 1 A 55 55 LEU HA H 55 3.979 4.089 -0.110 1
1 693 . 14 1 1 A 55 55 LEU C C 55 178.027 178.350 -0.323 1
1 694 . 14 1 1 A 55 55 LEU CA C 55 56.713 58.163 -1.450 1
1 695 . 14 1 1 A 55 55 LEU CB C 55 40.799 41.282 -0.483 1
1 699 . 14 1 1 A 55 55 LEU N N 55 122.944 120.512 2.432 1
1 700 . 14 1 1 A 56 56 MET H H 56 8.601 8.587 0.014 1
1 701 . 14 1 1 A 56 56 MET HA H 56 3.827 4.011 -0.184 1
1 709 . 14 1 1 A 56 56 MET C C 56 177.027 178.356 -1.329 1
1 710 . 14 1 1 A 56 56 MET CA C 56 57.116 58.241 -1.125 1
1 711 . 14 1 1 A 56 56 MET CB C 56 29.825 32.140 -2.315 1
1 714 . 14 1 1 A 56 56 MET N N 56 117.863 119.798 -1.935 1
1 715 . 14 1 1 A 57 57 LYS H H 57 7.693 8.125 -0.432 1
1 716 . 14 1 1 A 57 57 LYS HA H 57 3.954 4.086 -0.132 1
1 725 . 14 1 1 A 57 57 LYS C C 57 178.127 178.455 -0.328 1
1 726 . 14 1 1 A 57 57 LYS CA C 57 58.352 58.832 -0.480 1
1 727 . 14 1 1 A 57 57 LYS CB C 57 31.315 31.993 -0.678 1
1 731 . 14 1 1 A 57 57 LYS N N 57 116.455 121.246 -4.791 1
1 732 . 14 1 1 A 58 58 SER H H 58 7.661 7.783 -0.122 1
1 733 . 14 1 1 A 58 58 SER HA H 58 4.115 4.375 -0.260 1
1 736 . 14 1 1 A 58 58 SER C C 58 174.827 177.467 -2.640 1
1 737 . 14 1 1 A 58 58 SER CA C 58 59.986 61.131 -1.145 1
1 738 . 14 1 1 A 58 58 SER CB C 58 62.464 62.884 -0.420 1
1 739 . 14 1 1 A 58 58 SER N N 58 113.020 115.014 -1.994 1
1 740 . 14 1 1 A 59 59 LEU H H 59 7.917 7.571 0.346 1
1 741 . 14 1 1 A 59 59 LEU HA H 59 4.269 4.008 0.261 1
1 751 . 14 1 1 A 59 59 LEU C C 59 177.627 177.637 -0.010 1
1 752 . 14 1 1 A 59 59 LEU CA C 59 54.402 57.962 -3.560 1
1 753 . 14 1 1 A 59 59 LEU CB C 59 43.731 41.109 2.622 1
1 757 . 14 1 1 A 59 59 LEU N N 59 117.463 120.511 -3.048 1
1 758 . 14 1 1 A 60 60 ASP H H 60 8.025 8.469 -0.444 1
1 759 . 14 1 1 A 60 60 ASP HA H 60 4.566 4.759 -0.193 1
1 762 . 14 1 1 A 60 60 ASP C C 60 176.627 176.643 -0.016 1
1 763 . 14 1 1 A 60 60 ASP CA C 60 52.335 52.485 -0.150 1
1 764 . 14 1 1 A 60 60 ASP CB C 60 38.139 39.784 -1.645 1
1 765 . 14 1 1 A 60 60 ASP N N 60 117.588 118.064 -0.476 1
1 766 . 14 1 1 A 61 61 LYS H H 61 8.100 8.194 -0.094 1
1 767 . 14 1 1 A 61 61 LYS HA H 61 4.035 4.057 -0.022 1
1 776 . 14 1 1 A 61 61 LYS C C 61 176.727 178.204 -1.477 1
1 777 . 14 1 1 A 61 61 LYS CA C 61 56.887 59.376 -2.489 1
1 778 . 14 1 1 A 61 61 LYS CB C 61 31.653 32.228 -0.575 1
1 782 . 14 1 1 A 61 61 LYS N N 61 126.943 125.222 1.721 1
1 783 . 14 1 1 A 62 62 ASN H H 62 7.864 7.995 -0.131 1
1 784 . 14 1 1 A 62 62 ASN HA H 62 4.759 4.709 0.050 1
1 789 . 14 1 1 A 62 62 ASN C C 62 173.727 175.613 -1.886 1
1 790 . 14 1 1 A 62 62 ASN CA C 62 50.660 52.246 -1.586 1
1 791 . 14 1 1 A 62 62 ASN CB C 62 35.920 38.076 -2.156 1
1 792 . 14 1 1 A 62 62 ASN N N 62 113.588 114.148 -0.560 1
1 794 . 14 1 1 A 63 63 SER H H 63 7.613 8.194 -0.581 1
1 795 . 14 1 1 A 63 63 SER HA H 63 3.962 4.348 -0.386 1
1 798 . 14 1 1 A 63 63 SER C C 63 172.927 174.773 -1.846 1
1 799 . 14 1 1 A 63 63 SER CA C 63 58.262 59.043 -0.781 1
1 800 . 14 1 1 A 63 63 SER CB C 63 60.708 61.289 -0.581 1
1 801 . 14 1 1 A 63 63 SER N N 63 111.592 114.500 -2.908 1
1 802 . 14 1 1 A 64 64 ASP H H 64 8.217 7.989 0.228 1
1 803 . 14 1 1 A 64 64 ASP HA H 64 4.653 4.535 0.118 1
1 806 . 14 1 1 A 64 64 ASP C C 64 175.927 176.538 -0.611 1
1 807 . 14 1 1 A 64 64 ASP CA C 64 51.641 53.512 -1.871 1
1 808 . 14 1 1 A 64 64 ASP CB C 64 39.385 40.691 -1.306 1
1 809 . 14 1 1 A 64 64 ASP N N 64 118.913 120.637 -1.724 1
1 810 . 14 1 1 A 65 65 GLN H H 65 10.239 7.814 2.425 1
1 811 . 14 1 1 A 65 65 GLN HA H 65 3.356 3.970 -0.614 1
1 818 . 14 1 1 A 65 65 GLN C C 65 172.627 174.001 -1.374 1
1 819 . 14 1 1 A 65 65 GLN CA C 65 56.325 57.415 -1.090 1
1 820 . 14 1 1 A 65 65 GLN CB C 65 24.910 26.473 -1.563 1
1 822 . 14 1 1 A 65 65 GLN N N 65 114.908 114.298 0.610 1
1 824 . 14 1 1 A 66 66 GLU H H 66 7.710 8.009 -0.299 1
1 825 . 14 1 1 A 66 66 GLU HA H 66 4.691 4.767 -0.076 1
1 830 . 14 1 1 A 66 66 GLU C C 66 174.127 175.251 -1.124 1
1 831 . 14 1 1 A 66 66 GLU CA C 66 52.987 55.095 -2.108 1
1 832 . 14 1 1 A 66 66 GLU CB C 66 32.433 31.994 0.439 1
1 834 . 14 1 1 A 66 66 GLU N N 66 115.721 117.994 -2.273 1
1 835 . 14 1 1 A 67 67 ILE H H 67 9.938 9.176 0.762 1
1 836 . 14 1 1 A 67 67 ILE HA H 67 5.291 5.003 0.288 1
1 846 . 14 1 1 A 67 67 ILE C C 67 175.627 175.559 0.068 1
1 847 . 14 1 1 A 67 67 ILE CA C 67 56.241 60.366 -4.125 1
1 848 . 14 1 1 A 67 67 ILE CB C 67 35.492 38.425 -2.933 1
1 852 . 14 1 1 A 67 67 ILE N N 67 125.901 125.994 -0.093 1
1 853 . 14 1 1 A 68 68 ASP H H 68 8.794 8.722 0.072 1
1 854 . 14 1 1 A 68 68 ASP HA H 68 5.002 4.693 0.309 1
1 857 . 14 1 1 A 68 68 ASP C C 68 174.427 177.504 -3.077 1
1 858 . 14 1 1 A 68 68 ASP CA C 68 51.563 54.533 -2.970 1
1 859 . 14 1 1 A 68 68 ASP CB C 68 40.493 42.886 -2.393 1
1 860 . 14 1 1 A 68 68 ASP N N 68 127.844 128.209 -0.365 1
1 861 . 14 1 1 A 69 69 PHE H H 69 9.068 9.211 -0.143 1
1 862 . 14 1 1 A 69 69 PHE HA H 69 3.130 4.064 -0.934 1
1 869 . 14 1 1 A 69 69 PHE C C 69 176.827 177.609 -0.782 1
1 870 . 14 1 1 A 69 69 PHE CA C 69 62.478 61.841 0.637 1
1 871 . 14 1 1 A 69 69 PHE CB C 69 38.096 38.960 -0.864 1
1 872 . 14 1 1 A 69 69 PHE N N 69 118.955 127.579 -8.624 1
1 873 . 14 1 1 A 70 70 LYS H H 70 8.123 8.151 -0.028 1
1 874 . 14 1 1 A 70 70 LYS HA H 70 3.871 4.308 -0.437 1
1 883 . 14 1 1 A 70 70 LYS C C 70 179.527 179.039 0.488 1
1 884 . 14 1 1 A 70 70 LYS CA C 70 59.457 58.785 0.672 1
1 885 . 14 1 1 A 70 70 LYS CB C 70 30.772 32.473 -1.701 1
1 889 . 14 1 1 A 70 70 LYS N N 70 120.287 118.783 1.504 1
1 890 . 14 1 1 A 71 71 GLU H H 71 8.746 7.932 0.814 1
1 891 . 14 1 1 A 71 71 GLU HA H 71 4.099 4.085 0.014 1
1 896 . 14 1 1 A 71 71 GLU C C 71 179.127 178.859 0.268 1
1 897 . 14 1 1 A 71 71 GLU CA C 71 57.934 59.457 -1.523 1
1 898 . 14 1 1 A 71 71 GLU CB C 71 29.266 29.452 -0.186 1
1 900 . 14 1 1 A 71 71 GLU N N 71 122.207 120.125 2.082 1
1 901 . 14 1 1 A 72 72 TYR H H 72 8.879 8.637 0.242 1
1 902 . 14 1 1 A 72 72 TYR HA H 72 4.010 4.305 -0.295 1
1 909 . 14 1 1 A 72 72 TYR C C 72 175.927 178.314 -2.387 1
1 910 . 14 1 1 A 72 72 TYR CA C 72 58.551 61.758 -3.207 1
1 911 . 14 1 1 A 72 72 TYR CB C 72 38.072 38.581 -0.509 1
1 912 . 14 1 1 A 72 72 TYR N N 72 121.813 122.155 -0.342 1
1 913 . 14 1 1 A 73 73 SER H H 73 8.414 8.381 0.033 1
1 914 . 14 1 1 A 73 73 SER HA H 73 3.462 4.412 -0.950 1
1 917 . 14 1 1 A 73 73 SER C C 73 175.127 176.631 -1.504 1
1 918 . 14 1 1 A 73 73 SER CA C 73 61.876 61.003 0.873 1
1 919 . 14 1 1 A 73 73 SER CB C 73 61.327 63.357 -2.030 1
1 920 . 14 1 1 A 73 73 SER N N 73 117.840 114.614 3.226 1
1 921 . 14 1 1 A 74 74 VAL H H 74 7.363 7.689 -0.326 1
1 922 . 14 1 1 A 74 74 VAL HA H 74 3.584 3.771 -0.187 1
1 930 . 14 1 1 A 74 74 VAL C C 74 178.027 177.813 0.214 1
1 931 . 14 1 1 A 74 74 VAL CA C 74 65.397 65.222 0.175 1
1 932 . 14 1 1 A 74 74 VAL CB C 74 30.300 31.161 -0.861 1
1 935 . 14 1 1 A 74 74 VAL N N 74 123.439 120.122 3.317 1
1 936 . 14 1 1 A 75 75 PHE H H 75 7.282 8.519 -1.237 1
1 937 . 14 1 1 A 75 75 PHE HA H 75 4.562 3.962 0.600 1
1 945 . 14 1 1 A 75 75 PHE C C 75 176.127 177.344 -1.217 1
1 946 . 14 1 1 A 75 75 PHE CA C 75 57.851 61.095 -3.244 1
1 947 . 14 1 1 A 75 75 PHE CB C 75 36.863 38.785 -1.922 1
1 948 . 14 1 1 A 75 75 PHE N N 75 122.766 122.293 0.473 1
1 949 . 14 1 1 A 76 76 LEU H H 76 7.823 8.469 -0.646 1
1 950 . 14 1 1 A 76 76 LEU HA H 76 3.445 3.625 -0.180 1
1 960 . 14 1 1 A 76 76 LEU C C 76 178.927 179.339 -0.412 1
1 961 . 14 1 1 A 76 76 LEU CA C 76 56.891 57.298 -0.407 1
1 962 . 14 1 1 A 76 76 LEU CB C 76 39.917 41.484 -1.567 1
1 966 . 14 1 1 A 76 76 LEU N N 76 115.619 118.477 -2.858 1
1 967 . 14 1 1 A 77 77 THR H H 77 7.858 7.785 0.073 1
1 968 . 14 1 1 A 77 77 THR HA H 77 3.665 3.853 -0.188 1
1 974 . 14 1 1 A 77 77 THR C C 77 175.427 176.538 -1.111 1
1 975 . 14 1 1 A 77 77 THR CA C 77 66.127 66.728 -0.601 1
1 976 . 14 1 1 A 77 77 THR CB C 77 67.585 68.501 -0.916 1
1 978 . 14 1 1 A 77 77 THR N N 77 113.417 114.727 -1.310 1
1 979 . 14 1 1 A 78 78 MET H H 78 7.970 8.284 -0.314 1
1 980 . 14 1 1 A 78 78 MET HA H 78 3.935 4.035 -0.100 1
1 988 . 14 1 1 A 78 78 MET C C 78 179.127 178.972 0.155 1
1 989 . 14 1 1 A 78 78 MET CA C 78 58.780 58.741 0.039 1
1 990 . 14 1 1 A 78 78 MET CB C 78 31.501 32.640 -1.139 1
1 993 . 14 1 1 A 78 78 MET N N 78 122.745 118.179 4.566 1
1 994 . 14 1 1 A 79 79 LEU H H 79 7.898 8.017 -0.119 1
1 995 . 14 1 1 A 79 79 LEU HA H 79 3.870 4.009 -0.139 1
1 1005 . 14 1 1 A 79 79 LEU C C 79 178.427 179.151 -0.724 1
1 1006 . 14 1 1 A 79 79 LEU CA C 79 56.843 57.773 -0.930 1
1 1007 . 14 1 1 A 79 79 LEU CB C 79 41.099 41.692 -0.593 1
1 1011 . 14 1 1 A 79 79 LEU N N 79 120.989 120.036 0.953 1
1 1012 . 14 1 1 A 80 80 CYS H H 80 8.400 8.461 -0.061 1
1 1013 . 14 1 1 A 80 80 CYS HA H 80 3.830 4.331 -0.501 1
1 1017 . 14 1 1 A 80 80 CYS C C 80 175.927 177.484 -1.557 1
1 1018 . 14 1 1 A 80 80 CYS CA C 80 64.044 61.928 2.116 1
1 1019 . 14 1 1 A 80 80 CYS CB C 80 25.626 27.244 -1.618 1
1 1020 . 14 1 1 A 80 80 CYS N N 80 117.746 118.812 -1.066 1
1 1021 . 14 1 1 A 81 81 MET H H 81 8.295 8.421 -0.126 1
1 1022 . 14 1 1 A 81 81 MET HA H 81 4.023 4.187 -0.164 1
1 1030 . 14 1 1 A 81 81 MET C C 81 177.327 178.279 -0.952 1
1 1031 . 14 1 1 A 81 81 MET CA C 81 57.601 58.907 -1.306 1
1 1032 . 14 1 1 A 81 81 MET CB C 81 30.668 32.521 -1.853 1
1 1035 . 14 1 1 A 81 81 MET N N 81 117.598 119.196 -1.598 1
1 1036 . 14 1 1 A 82 82 ALA H H 82 7.624 7.722 -0.098 1
1 1037 . 14 1 1 A 82 82 ALA HA H 82 4.061 4.063 -0.002 1
1 1041 . 14 1 1 A 82 82 ALA C C 82 179.627 179.441 0.186 1
1 1042 . 14 1 1 A 82 82 ALA CA C 82 53.856 55.758 -1.902 1
1 1043 . 14 1 1 A 82 82 ALA CB C 82 16.794 18.426 -1.632 1
1 1044 . 14 1 1 A 82 82 ALA N N 82 121.886 120.948 0.938 1
1 1045 . 14 1 1 A 83 83 TYR H H 83 8.476 7.822 0.654 1
1 1046 . 14 1 1 A 83 83 TYR HA H 83 4.147 4.422 -0.275 1
1 1053 . 14 1 1 A 83 83 TYR C C 83 178.127 178.121 0.006 1
1 1054 . 14 1 1 A 83 83 TYR CA C 83 60.066 61.683 -1.617 1
1 1055 . 14 1 1 A 83 83 TYR CB C 83 36.546 37.433 -0.887 1
1 1056 . 14 1 1 A 83 83 TYR N N 83 119.136 116.374 2.762 1
1 1057 . 14 1 1 A 84 84 ASN H H 84 8.386 8.351 0.035 1
1 1058 . 14 1 1 A 84 84 ASN HA H 84 4.221 4.473 -0.252 1
1 1063 . 14 1 1 A 84 84 ASN C C 84 175.427 177.470 -2.043 1
1 1064 . 14 1 1 A 84 84 ASN CA C 84 56.123 56.987 -0.864 1
1 1065 . 14 1 1 A 84 84 ASN CB C 84 37.387 39.534 -2.147 1
1 1066 . 14 1 1 A 84 84 ASN N N 84 120.692 119.081 1.611 1
1 1068 . 14 1 1 A 85 85 ASP H H 85 7.611 7.725 -0.114 1
1 1069 . 14 1 1 A 85 85 ASP HA H 85 4.234 4.503 -0.269 1
1 1072 . 14 1 1 A 85 85 ASP C C 85 178.227 178.714 -0.487 1
1 1073 . 14 1 1 A 85 85 ASP CA C 85 56.752 57.323 -0.571 1
1 1074 . 14 1 1 A 85 85 ASP CB C 85 38.688 40.930 -2.242 1
1 1075 . 14 1 1 A 85 85 ASP N N 85 118.378 118.532 -0.154 1
1 1076 . 14 1 1 A 86 86 PHE H H 86 7.538 8.281 -0.743 1
1 1077 . 14 1 1 A 86 86 PHE HA H 86 4.291 4.298 -0.007 1
1 1084 . 14 1 1 A 86 86 PHE C C 86 176.627 177.660 -1.033 1
1 1085 . 14 1 1 A 86 86 PHE CA C 86 58.743 61.376 -2.633 1
1 1086 . 14 1 1 A 86 86 PHE CB C 86 37.488 38.626 -1.138 1
1 1087 . 14 1 1 A 86 86 PHE N N 86 118.712 122.315 -3.603 1
1 1088 . 14 1 1 A 87 87 PHE H H 87 8.132 8.342 -0.210 1
1 1089 . 14 1 1 A 87 87 PHE HA H 87 3.906 4.201 -0.295 1
1 1096 . 14 1 1 A 87 87 PHE C C 87 176.627 177.149 -0.522 1
1 1097 . 14 1 1 A 87 87 PHE CA C 87 59.554 61.168 -1.614 1
1 1098 . 14 1 1 A 87 87 PHE CB C 87 38.017 39.481 -1.464 1
1 1099 . 14 1 1 A 87 87 PHE N N 87 121.649 119.751 1.898 1
1 1100 . 14 1 1 A 88 88 LEU H H 88 7.953 8.174 -0.221 1
1 1101 . 14 1 1 A 88 88 LEU HA H 88 3.775 3.936 -0.161 1
1 1111 . 14 1 1 A 88 88 LEU C C 88 177.627 179.532 -1.905 1
1 1112 . 14 1 1 A 88 88 LEU CA C 88 55.078 57.910 -2.832 1
1 1113 . 14 1 1 A 88 88 LEU CB C 88 41.226 41.241 -0.015 1
1 1117 . 14 1 1 A 88 88 LEU N N 88 118.897 119.841 -0.944 1
1 1118 . 14 1 1 A 89 89 GLU H H 89 7.475 8.370 -0.895 1
1 1119 . 14 1 1 A 89 89 GLU HA H 89 3.914 4.311 -0.397 1
1 1124 . 14 1 1 A 89 89 GLU C C 89 176.127 178.595 -2.468 1
1 1125 . 14 1 1 A 89 89 GLU CA C 89 56.926 58.925 -1.999 1
1 1126 . 14 1 1 A 89 89 GLU CB C 89 28.567 29.156 -0.589 1
1 1128 . 14 1 1 A 89 89 GLU N N 89 119.332 118.740 0.592 1
1 1129 . 14 1 1 A 90 90 ASP H H 90 7.750 7.662 0.088 1
1 1130 . 14 1 1 A 90 90 ASP HA H 90 4.370 4.323 0.047 1
1 1133 . 14 1 1 A 90 90 ASP C C 90 175.227 179.027 -3.800 1
1 1134 . 14 1 1 A 90 90 ASP CA C 90 53.593 56.859 -3.266 1
1 1135 . 14 1 1 A 90 90 ASP CB C 90 40.323 40.912 -0.589 1
1 1136 . 14 1 1 A 90 90 ASP N N 90 118.945 120.454 -1.509 1
1 1137 . 14 1 1 A 91 91 ASN H H 91 7.681 7.921 -0.240 1
1 1138 . 14 1 1 A 91 91 ASN HA H 91 4.495 4.463 0.032 1
1 1143 . 14 1 1 A 91 91 ASN C C 91 173.027 177.133 -4.106 1
1 1144 . 14 1 1 A 91 91 ASN CA C 91 52.041 55.430 -3.389 1
1 1145 . 14 1 1 A 91 91 ASN CB C 91 38.072 38.213 -0.141 1
1 1146 . 14 1 1 A 91 91 ASN N N 91 118.171 116.664 1.507 1
1 10 . 15 1 1 A 2 2 GLU H H 2 8.776 9.163 -0.387 1
1 11 . 15 1 1 A 2 2 GLU HA H 2 4.535 4.569 -0.034 1
1 16 . 15 1 1 A 2 2 GLU C C 2 175.627 176.487 -0.860 1
1 17 . 15 1 1 A 2 2 GLU CA C 2 55.573 57.611 -2.038 1
1 18 . 15 1 1 A 2 2 GLU CB C 2 30.569 31.806 -1.237 1
1 20 . 15 1 1 A 2 2 GLU N N 2 124.305 123.526 0.779 1
1 21 . 15 1 1 A 3 3 THR H H 3 8.835 7.943 0.892 1
1 22 . 15 1 1 A 3 3 THR HA H 3 4.608 4.833 -0.225 1
1 27 . 15 1 1 A 3 3 THR CA C 3 59.187 58.912 0.275 1
1 28 . 15 1 1 A 3 3 THR CB C 3 67.385 71.444 -4.059 1
1 30 . 15 1 1 A 3 3 THR N N 3 116.176 110.782 5.394 1
1 31 . 15 1 1 A 4 4 PRO HA H 4 4.158 4.397 -0.239 1
1 38 . 15 1 1 A 4 4 PRO C C 4 179.327 177.609 1.718 1
1 39 . 15 1 1 A 4 4 PRO CA C 4 65.040 64.561 0.479 1
1 40 . 15 1 1 A 4 4 PRO CB C 4 30.616 31.994 -1.378 1
1 43 . 15 1 1 A 5 5 LEU H H 5 8.794 7.745 1.049 1
1 44 . 15 1 1 A 5 5 LEU HA H 5 3.944 4.036 -0.092 1
1 54 . 15 1 1 A 5 5 LEU C C 5 177.327 178.408 -1.081 1
1 55 . 15 1 1 A 5 5 LEU CA C 5 56.920 57.611 -0.691 1
1 56 . 15 1 1 A 5 5 LEU CB C 5 41.139 41.608 -0.469 1
1 60 . 15 1 1 A 5 5 LEU N N 5 118.892 118.964 -0.072 1
1 61 . 15 1 1 A 6 6 GLU H H 6 7.664 8.076 -0.412 1
1 62 . 15 1 1 A 6 6 GLU HA H 6 3.744 3.956 -0.212 1
1 67 . 15 1 1 A 6 6 GLU C C 6 178.827 178.976 -0.149 1
1 68 . 15 1 1 A 6 6 GLU CA C 6 59.347 59.676 -0.329 1
1 69 . 15 1 1 A 6 6 GLU CB C 6 28.700 29.157 -0.457 1
1 71 . 15 1 1 A 6 6 GLU N N 6 118.741 118.848 -0.107 1
1 72 . 15 1 1 A 7 7 LYS H H 7 8.435 8.059 0.376 1
1 73 . 15 1 1 A 7 7 LYS HA H 7 3.909 4.064 -0.155 1
1 82 . 15 1 1 A 7 7 LYS C C 7 178.527 178.925 -0.398 1
1 83 . 15 1 1 A 7 7 LYS CA C 7 58.539 58.910 -0.371 1
1 84 . 15 1 1 A 7 7 LYS CB C 7 31.217 32.092 -0.875 1
1 88 . 15 1 1 A 7 7 LYS N N 7 119.285 119.331 -0.046 1
1 89 . 15 1 1 A 8 8 ALA H H 8 8.008 7.916 0.092 1
1 90 . 15 1 1 A 8 8 ALA HA H 8 4.038 4.064 -0.026 1
1 94 . 15 1 1 A 8 8 ALA C C 8 178.327 180.414 -2.087 1
1 95 . 15 1 1 A 8 8 ALA CA C 8 54.356 54.887 -0.531 1
1 96 . 15 1 1 A 8 8 ALA CB C 8 17.509 18.162 -0.653 1
1 97 . 15 1 1 A 8 8 ALA N N 8 123.866 122.344 1.522 1
1 98 . 15 1 1 A 9 9 LEU H H 9 8.163 7.825 0.338 1
1 99 . 15 1 1 A 9 9 LEU HA H 9 3.809 3.982 -0.173 1
1 109 . 15 1 1 A 9 9 LEU C C 9 178.527 179.175 -0.648 1
1 110 . 15 1 1 A 9 9 LEU CA C 9 57.256 57.998 -0.742 1
1 111 . 15 1 1 A 9 9 LEU CB C 9 40.483 42.163 -1.680 1
1 115 . 15 1 1 A 9 9 LEU N N 9 119.134 118.481 0.653 1
1 116 . 15 1 1 A 10 10 THR H H 10 8.186 8.244 -0.058 1
1 117 . 15 1 1 A 10 10 THR HA H 10 3.741 3.933 -0.192 1
1 122 . 15 1 1 A 10 10 THR C C 10 176.727 176.635 0.092 1
1 123 . 15 1 1 A 10 10 THR CA C 10 66.345 66.587 -0.242 1
1 124 . 15 1 1 A 10 10 THR CB C 10 67.558 68.718 -1.160 1
1 126 . 15 1 1 A 10 10 THR N N 10 114.355 115.452 -1.097 1
1 127 . 15 1 1 A 11 11 THR H H 11 8.387 8.321 0.066 1
1 128 . 15 1 1 A 11 11 THR HA H 11 3.963 4.041 -0.078 1
1 133 . 15 1 1 A 11 11 THR C C 11 176.827 177.147 -0.320 1
1 134 . 15 1 1 A 11 11 THR CA C 11 65.801 65.417 0.384 1
1 135 . 15 1 1 A 11 11 THR CB C 11 67.140 68.870 -1.730 1
1 137 . 15 1 1 A 11 11 THR N N 11 120.801 113.849 6.952 1
1 138 . 15 1 1 A 12 12 MET H H 12 8.299 8.451 -0.152 1
1 139 . 15 1 1 A 12 12 MET HA H 12 3.872 4.279 -0.407 1
1 147 . 15 1 1 A 12 12 MET C C 12 177.827 178.585 -0.758 1
1 148 . 15 1 1 A 12 12 MET CA C 12 59.263 58.361 0.902 1
1 149 . 15 1 1 A 12 12 MET CB C 12 31.845 33.113 -1.268 1
1 152 . 15 1 1 A 12 12 MET N N 12 124.102 119.675 4.427 1
1 153 . 15 1 1 A 13 13 VAL H H 13 7.820 8.608 -0.788 1
1 154 . 15 1 1 A 13 13 VAL HA H 13 3.937 4.093 -0.156 1
1 162 . 15 1 1 A 13 13 VAL C C 13 177.127 177.330 -0.203 1
1 163 . 15 1 1 A 13 13 VAL CA C 13 65.677 65.218 0.459 1
1 164 . 15 1 1 A 13 13 VAL CB C 13 31.656 31.609 0.047 1
1 167 . 15 1 1 A 13 13 VAL N N 13 119.838 118.898 0.940 1
1 168 . 15 1 1 A 14 14 THR H H 14 9.107 8.039 1.068 1
1 169 . 15 1 1 A 14 14 THR HA H 14 3.654 4.086 -0.432 1
1 174 . 15 1 1 A 14 14 THR C C 14 177.527 176.688 0.839 1
1 175 . 15 1 1 A 14 14 THR CA C 14 65.273 66.204 -0.931 1
1 176 . 15 1 1 A 14 14 THR CB C 14 67.652 68.931 -1.279 1
1 178 . 15 1 1 A 14 14 THR N N 14 112.247 116.640 -4.393 1
1 179 . 15 1 1 A 15 15 THR H H 15 8.189 8.266 -0.077 1
1 180 . 15 1 1 A 15 15 THR HA H 15 3.864 4.201 -0.337 1
1 186 . 15 1 1 A 15 15 THR C C 15 173.627 176.758 -3.131 1
1 187 . 15 1 1 A 15 15 THR CA C 15 66.930 65.862 1.068 1
1 188 . 15 1 1 A 15 15 THR CB C 15 66.539 68.316 -1.777 1
1 190 . 15 1 1 A 15 15 THR N N 15 117.691 112.512 5.179 1
1 191 . 15 1 1 A 16 16 PHE H H 16 6.850 8.369 -1.519 1
1 192 . 15 1 1 A 16 16 PHE HA H 16 3.417 4.185 -0.768 1
1 199 . 15 1 1 A 16 16 PHE C C 16 175.627 177.435 -1.808 1
1 200 . 15 1 1 A 16 16 PHE CA C 16 61.577 61.684 -0.107 1
1 201 . 15 1 1 A 16 16 PHE CB C 16 38.177 39.562 -1.385 1
1 202 . 15 1 1 A 16 16 PHE N N 16 120.169 124.276 -4.107 1
1 203 . 15 1 1 A 17 17 HIS H H 17 6.924 8.857 -1.933 1
1 204 . 15 1 1 A 17 17 HIS HA H 17 4.755 4.834 -0.079 1
1 207 . 15 1 1 A 17 17 HIS C C 17 176.227 177.061 -0.834 1
1 208 . 15 1 1 A 17 17 HIS CA C 17 56.810 59.936 -3.126 1
1 209 . 15 1 1 A 17 17 HIS CB C 17 29.597 29.330 0.267 1
1 210 . 15 1 1 A 17 17 HIS N N 17 115.499 117.466 -1.967 1
1 211 . 15 1 1 A 18 18 LYS H H 18 7.888 8.368 -0.480 1
1 212 . 15 1 1 A 18 18 LYS HA H 18 3.870 3.925 -0.055 1
1 221 . 15 1 1 A 18 18 LYS C C 18 176.927 178.230 -1.303 1
1 222 . 15 1 1 A 18 18 LYS CA C 18 57.897 59.456 -1.559 1
1 223 . 15 1 1 A 18 18 LYS CB C 18 31.582 32.354 -0.772 1
1 227 . 15 1 1 A 18 18 LYS N N 18 121.217 120.193 1.024 1
1 228 . 15 1 1 A 19 19 TYR H H 19 6.928 7.890 -0.962 1
1 229 . 15 1 1 A 19 19 TYR HA H 19 4.163 4.344 -0.181 1
1 234 . 15 1 1 A 19 19 TYR C C 19 175.027 178.456 -3.429 1
1 235 . 15 1 1 A 19 19 TYR CA C 19 59.335 60.794 -1.459 1
1 236 . 15 1 1 A 19 19 TYR CB C 19 39.515 38.653 0.862 1
1 237 . 15 1 1 A 19 19 TYR N N 19 114.488 118.586 -4.098 1
1 238 . 15 1 1 A 20 20 SER H H 20 8.021 9.174 -1.153 1
1 239 . 15 1 1 A 20 20 SER HA H 20 3.105 4.075 -0.970 1
1 242 . 15 1 1 A 20 20 SER C C 20 176.527 176.682 -0.155 1
1 243 . 15 1 1 A 20 20 SER CA C 20 60.457 61.223 -0.766 1
1 244 . 15 1 1 A 20 20 SER CB C 20 60.326 62.133 -1.807 1
1 245 . 15 1 1 A 20 20 SER N N 20 112.624 115.530 -2.906 1
1 246 . 15 1 1 A 21 21 GLY H H 21 7.908 8.318 -0.410 1
1 247 . 15 1 1 A 21 21 GLY HA2 H 21 4.197 3.998 0.199 1
1 248 . 15 1 1 A 21 21 GLY HA3 H 21 3.761 4.001 -0.240 1
1 249 . 15 1 1 A 21 21 GLY C C 21 173.027 175.225 -2.198 1
1 250 . 15 1 1 A 21 21 GLY CA C 21 44.357 46.122 -1.765 1
1 251 . 15 1 1 A 21 21 GLY N N 21 112.095 109.568 2.527 1
1 252 . 15 1 1 A 22 22 ARG H H 22 7.470 7.454 0.016 1
1 253 . 15 1 1 A 22 22 ARG HA H 22 3.956 4.120 -0.164 1
1 260 . 15 1 1 A 22 22 ARG C C 22 176.327 175.537 0.790 1
1 261 . 15 1 1 A 22 22 ARG CA C 22 58.189 58.175 0.014 1
1 262 . 15 1 1 A 22 22 ARG CB C 22 29.483 31.491 -2.008 1
1 265 . 15 1 1 A 22 22 ARG N N 22 122.481 120.793 1.688 1
1 266 . 15 1 1 A 23 23 GLU H H 23 9.412 8.344 1.068 1
1 267 . 15 1 1 A 23 23 GLU HA H 23 4.626 4.524 0.102 1
1 272 . 15 1 1 A 23 23 GLU C C 23 175.027 176.290 -1.263 1
1 273 . 15 1 1 A 23 23 GLU CA C 23 53.319 55.320 -2.001 1
1 274 . 15 1 1 A 23 23 GLU CB C 23 32.032 33.137 -1.105 1
1 276 . 15 1 1 A 23 23 GLU N N 23 116.123 116.179 -0.056 1
1 277 . 15 1 1 A 24 24 GLY H H 24 9.080 8.618 0.462 1
1 278 . 15 1 1 A 24 24 GLY HA2 H 24 3.694 3.899 -0.205 1
1 279 . 15 1 1 A 24 24 GLY HA3 H 24 3.878 3.943 -0.065 1
1 280 . 15 1 1 A 24 24 GLY C C 24 172.827 173.922 -1.095 1
1 281 . 15 1 1 A 24 24 GLY CA C 24 44.707 46.809 -2.102 1
1 282 . 15 1 1 A 24 24 GLY N N 24 114.015 110.134 3.881 1
1 283 . 15 1 1 A 25 25 SER H H 25 8.465 8.827 -0.362 1
1 284 . 15 1 1 A 25 25 SER HA H 25 4.312 4.429 -0.117 1
1 287 . 15 1 1 A 25 25 SER C C 25 178.027 176.367 1.660 1
1 288 . 15 1 1 A 25 25 SER CA C 25 57.478 59.361 -1.883 1
1 289 . 15 1 1 A 25 25 SER CB C 25 61.941 63.783 -1.842 1
1 290 . 15 1 1 A 25 25 SER N N 25 117.299 119.510 -2.211 1
1 291 . 15 1 1 A 26 26 LYS H H 26 9.532 8.799 0.733 1
1 292 . 15 1 1 A 26 26 LYS HA H 26 4.660 4.255 0.405 1
1 301 . 15 1 1 A 26 26 LYS C C 26 176.127 178.220 -2.093 1
1 302 . 15 1 1 A 26 26 LYS CA C 26 56.928 58.791 -1.863 1
1 303 . 15 1 1 A 26 26 LYS CB C 26 30.526 32.004 -1.478 1
1 307 . 15 1 1 A 26 26 LYS N N 26 131.209 123.877 7.332 1
1 308 . 15 1 1 A 27 27 LEU H H 27 8.643 7.655 0.988 1
1 309 . 15 1 1 A 27 27 LEU HA H 27 4.583 4.225 0.358 1
1 319 . 15 1 1 A 27 27 LEU C C 27 174.827 177.143 -2.316 1
1 320 . 15 1 1 A 27 27 LEU CA C 27 53.205 55.689 -2.484 1
1 321 . 15 1 1 A 27 27 LEU CB C 27 41.824 43.148 -1.324 1
1 325 . 15 1 1 A 27 27 LEU N N 27 118.729 118.231 0.498 1
1 326 . 15 1 1 A 28 28 THR H H 28 7.037 7.514 -0.477 1
1 327 . 15 1 1 A 28 28 THR HA H 28 5.168 4.889 0.279 1
1 332 . 15 1 1 A 28 28 THR C C 28 172.727 173.390 -0.663 1
1 333 . 15 1 1 A 28 28 THR CA C 28 57.915 59.514 -1.599 1
1 334 . 15 1 1 A 28 28 THR CB C 28 71.934 71.120 0.814 1
1 336 . 15 1 1 A 28 28 THR N N 28 104.663 109.351 -4.688 1
1 337 . 15 1 1 A 29 29 LEU H H 29 9.517 8.041 1.476 1
1 338 . 15 1 1 A 29 29 LEU HA H 29 5.196 4.670 0.526 1
1 348 . 15 1 1 A 29 29 LEU C C 29 175.527 176.200 -0.673 1
1 349 . 15 1 1 A 29 29 LEU CA C 29 51.653 53.651 -1.998 1
1 350 . 15 1 1 A 29 29 LEU CB C 29 42.301 42.099 0.202 1
1 354 . 15 1 1 A 29 29 LEU N N 29 125.388 121.785 3.603 1
1 355 . 15 1 1 A 30 30 SER H H 30 10.053 9.013 1.040 1
1 356 . 15 1 1 A 30 30 SER HA H 30 4.475 4.657 -0.182 1
1 359 . 15 1 1 A 30 30 SER C C 30 173.427 176.202 -2.775 1
1 360 . 15 1 1 A 30 30 SER CA C 30 55.011 59.594 -4.583 1
1 361 . 15 1 1 A 30 30 SER CB C 30 64.446 63.468 0.978 1
1 362 . 15 1 1 A 30 30 SER N N 30 121.114 121.391 -0.277 1
1 363 . 15 1 1 A 31 31 ARG H H 31 8.992 8.260 0.732 1
1 364 . 15 1 1 A 31 31 ARG HA H 31 3.923 3.958 -0.035 1
1 371 . 15 1 1 A 31 31 ARG C C 31 177.027 177.945 -0.918 1
1 372 . 15 1 1 A 31 31 ARG CA C 31 59.408 58.943 0.465 1
1 373 . 15 1 1 A 31 31 ARG CB C 31 29.041 29.763 -0.722 1
1 376 . 15 1 1 A 31 31 ARG N N 31 120.513 124.516 -4.003 1
1 377 . 15 1 1 A 32 32 LYS H H 32 7.845 8.230 -0.385 1
1 378 . 15 1 1 A 32 32 LYS HA H 32 3.826 4.060 -0.234 1
1 387 . 15 1 1 A 32 32 LYS C C 32 178.927 178.711 0.216 1
1 388 . 15 1 1 A 32 32 LYS CA C 32 58.677 59.259 -0.582 1
1 389 . 15 1 1 A 32 32 LYS CB C 32 31.964 32.252 -0.288 1
1 393 . 15 1 1 A 32 32 LYS N N 32 117.011 118.318 -1.307 1
1 394 . 15 1 1 A 33 33 GLU H H 33 7.612 8.382 -0.770 1
1 395 . 15 1 1 A 33 33 GLU HA H 33 3.954 4.122 -0.168 1
1 400 . 15 1 1 A 33 33 GLU C C 33 177.227 179.118 -1.891 1
1 401 . 15 1 1 A 33 33 GLU CA C 33 58.289 58.771 -0.482 1
1 402 . 15 1 1 A 33 33 GLU CB C 33 29.757 29.621 0.136 1
1 404 . 15 1 1 A 33 33 GLU N N 33 120.815 119.575 1.240 1
1 405 . 15 1 1 A 34 34 LEU H H 34 8.694 7.668 1.026 1
1 406 . 15 1 1 A 34 34 LEU HA H 34 3.811 3.988 -0.177 1
1 416 . 15 1 1 A 34 34 LEU C C 34 176.927 178.469 -1.542 1
1 417 . 15 1 1 A 34 34 LEU CA C 34 57.025 57.536 -0.511 1
1 418 . 15 1 1 A 34 34 LEU CB C 34 40.638 41.515 -0.877 1
1 422 . 15 1 1 A 34 34 LEU N N 34 119.291 121.915 -2.624 1
1 423 . 15 1 1 A 35 35 LYS H H 35 8.114 8.845 -0.731 1
1 424 . 15 1 1 A 35 35 LYS HA H 35 3.569 4.038 -0.469 1
1 433 . 15 1 1 A 35 35 LYS C C 35 177.027 178.664 -1.637 1
1 434 . 15 1 1 A 35 35 LYS CA C 35 59.419 58.376 1.043 1
1 435 . 15 1 1 A 35 35 LYS CB C 35 31.271 31.135 0.136 1
1 439 . 15 1 1 A 35 35 LYS N N 35 117.277 117.826 -0.549 1
1 440 . 15 1 1 A 36 36 GLU H H 36 7.560 7.730 -0.170 1
1 441 . 15 1 1 A 36 36 GLU HA H 36 3.845 4.047 -0.202 1
1 446 . 15 1 1 A 36 36 GLU C C 36 175.827 178.037 -2.210 1
1 447 . 15 1 1 A 36 36 GLU CA C 36 58.190 58.877 -0.687 1
1 448 . 15 1 1 A 36 36 GLU CB C 36 28.253 29.537 -1.284 1
1 450 . 15 1 1 A 36 36 GLU N N 36 119.302 119.833 -0.531 1
1 451 . 15 1 1 A 37 37 LEU H H 37 7.682 7.291 0.391 1
1 452 . 15 1 1 A 37 37 LEU HA H 37 2.280 3.428 -1.148 1
1 462 . 15 1 1 A 37 37 LEU C C 37 178.327 178.202 0.125 1
1 463 . 15 1 1 A 37 37 LEU CA C 37 58.225 58.219 0.006 1
1 464 . 15 1 1 A 37 37 LEU CB C 37 41.090 41.421 -0.331 1
1 468 . 15 1 1 A 37 37 LEU N N 37 121.690 119.948 1.742 1
1 469 . 15 1 1 A 38 38 ILE H H 38 8.157 7.676 0.481 1
1 470 . 15 1 1 A 38 38 ILE HA H 38 3.292 3.777 -0.485 1
1 480 . 15 1 1 A 38 38 ILE C C 38 177.027 177.851 -0.824 1
1 481 . 15 1 1 A 38 38 ILE CA C 38 65.007 65.242 -0.235 1
1 482 . 15 1 1 A 38 38 ILE CB C 38 37.187 37.670 -0.483 1
1 486 . 15 1 1 A 38 38 ILE N N 38 117.626 120.028 -2.402 1
1 487 . 15 1 1 A 39 39 LYS H H 39 8.068 7.894 0.174 1
1 488 . 15 1 1 A 39 39 LYS HA H 39 3.876 4.192 -0.316 1
1 497 . 15 1 1 A 39 39 LYS C C 39 177.927 178.425 -0.498 1
1 498 . 15 1 1 A 39 39 LYS CA C 39 58.204 58.849 -0.645 1
1 499 . 15 1 1 A 39 39 LYS CB C 39 31.731 32.074 -0.343 1
1 503 . 15 1 1 A 39 39 LYS N N 39 117.909 120.898 -2.989 1
1 504 . 15 1 1 A 40 40 LYS H H 40 8.094 7.867 0.227 1
1 505 . 15 1 1 A 40 40 LYS HA H 40 4.248 4.071 0.177 1
1 514 . 15 1 1 A 40 40 LYS C C 40 178.227 179.266 -1.039 1
1 515 . 15 1 1 A 40 40 LYS CA C 40 56.291 59.869 -3.578 1
1 516 . 15 1 1 A 40 40 LYS CB C 40 32.652 32.444 0.208 1
1 520 . 15 1 1 A 40 40 LYS N N 40 114.323 118.676 -4.353 1
1 521 . 15 1 1 A 41 41 GLU H H 41 8.381 7.629 0.752 1
1 522 . 15 1 1 A 41 41 GLU HA H 41 4.744 4.053 0.691 1
1 527 . 15 1 1 A 41 41 GLU C C 41 176.227 178.353 -2.126 1
1 528 . 15 1 1 A 41 41 GLU CA C 41 55.054 59.240 -4.186 1
1 529 . 15 1 1 A 41 41 GLU CB C 41 29.598 29.536 0.062 1
1 531 . 15 1 1 A 41 41 GLU N N 41 113.079 119.161 -6.082 1
1 532 . 15 1 1 A 42 42 LEU H H 42 7.544 8.054 -0.510 1
1 533 . 15 1 1 A 42 42 LEU HA H 42 4.754 4.577 0.177 1
1 542 . 15 1 1 A 42 42 LEU CA C 42 52.564 54.036 -1.472 1
1 543 . 15 1 1 A 42 42 LEU CB C 42 43.848 39.713 4.135 1
1 546 . 15 1 1 A 42 42 LEU N N 42 118.458 118.819 -0.361 1
1 547 . 15 1 1 A 43 43 CYS H H 43 8.342 8.603 -0.261 1
1 548 . 15 1 1 A 43 43 CYS HA H 43 4.486 4.362 0.124 1
1 551 . 15 1 1 A 43 43 CYS C C 43 174.327 176.945 -2.618 1
1 552 . 15 1 1 A 43 43 CYS CA C 43 57.655 62.606 -4.951 1
1 553 . 15 1 1 A 43 43 CYS CB C 43 25.653 27.115 -1.462 1
1 554 . 15 1 1 A 44 44 LEU H H 44 8.123 8.144 -0.021 1
1 555 . 15 1 1 A 44 44 LEU HA H 44 4.339 3.967 0.372 1
1 565 . 15 1 1 A 44 44 LEU C C 44 176.927 178.573 -1.646 1
1 566 . 15 1 1 A 44 44 LEU CA C 44 53.750 58.099 -4.349 1
1 567 . 15 1 1 A 44 44 LEU CB C 44 40.784 41.941 -1.157 1
1 571 . 15 1 1 A 44 44 LEU N N 44 121.974 121.494 0.480 1
1 572 . 15 1 1 A 45 45 GLY H H 45 8.072 8.224 -0.152 1
1 573 . 15 1 1 A 45 45 GLY HA2 H 45 3.889 4.090 -0.201 1
1 574 . 15 1 1 A 45 45 GLY HA3 H 45 3.698 4.133 -0.435 1
1 575 . 15 1 1 A 45 45 GLY C C 45 173.127 175.757 -2.630 1
1 576 . 15 1 1 A 45 45 GLY CA C 45 44.291 45.495 -1.204 1
1 577 . 15 1 1 A 45 45 GLY N N 45 107.819 108.684 -0.865 1
1 578 . 15 1 1 A 46 46 GLU H H 46 8.472 8.190 0.282 1
1 579 . 15 1 1 A 46 46 GLU HA H 46 4.048 4.062 -0.014 1
1 584 . 15 1 1 A 46 46 GLU C C 46 175.727 178.120 -2.393 1
1 585 . 15 1 1 A 46 46 GLU CA C 46 56.461 59.119 -2.658 1
1 586 . 15 1 1 A 46 46 GLU CB C 46 28.208 29.405 -1.197 1
1 588 . 15 1 1 A 46 46 GLU N N 46 120.563 121.629 -1.066 1
1 589 . 15 1 1 A 47 47 MET H H 47 8.189 8.065 0.124 1
1 590 . 15 1 1 A 47 47 MET HA H 47 4.413 4.616 -0.203 1
1 598 . 15 1 1 A 47 47 MET C C 47 175.027 175.652 -0.625 1
1 599 . 15 1 1 A 47 47 MET CA C 47 53.905 54.248 -0.343 1
1 600 . 15 1 1 A 47 47 MET CB C 47 32.611 30.787 1.824 1
1 603 . 15 1 1 A 47 47 MET N N 47 123.201 116.445 6.756 1
1 604 . 15 1 1 A 48 48 LYS H H 48 8.355 8.306 0.049 1
1 605 . 15 1 1 A 48 48 LYS HA H 48 4.237 4.290 -0.053 1
1 614 . 15 1 1 A 48 48 LYS C C 48 177.027 177.779 -0.752 1
1 615 . 15 1 1 A 48 48 LYS CA C 48 55.443 55.875 -0.432 1
1 616 . 15 1 1 A 48 48 LYS CB C 48 32.173 33.667 -1.494 1
1 620 . 15 1 1 A 48 48 LYS N N 48 123.046 124.434 -1.388 1
1 621 . 15 1 1 A 49 49 GLU H H 49 8.742 8.910 -0.168 1
1 622 . 15 1 1 A 49 49 GLU HA H 49 3.884 3.909 -0.025 1
1 627 . 15 1 1 A 49 49 GLU C C 49 177.727 178.344 -0.617 1
1 628 . 15 1 1 A 49 49 GLU CA C 49 58.534 60.067 -1.533 1
1 629 . 15 1 1 A 49 49 GLU CB C 49 27.870 29.425 -1.555 1
1 631 . 15 1 1 A 49 49 GLU N N 49 122.407 124.086 -1.679 1
1 632 . 15 1 1 A 50 50 SER H H 50 8.324 8.047 0.277 1
1 633 . 15 1 1 A 50 50 SER HA H 50 4.188 4.228 -0.040 1
1 636 . 15 1 1 A 50 50 SER C C 50 175.427 176.088 -0.661 1
1 637 . 15 1 1 A 50 50 SER CA C 50 59.402 60.917 -1.515 1
1 638 . 15 1 1 A 50 50 SER CB C 50 61.442 62.846 -1.404 1
1 639 . 15 1 1 A 50 50 SER N N 50 112.475 115.815 -3.340 1
1 640 . 15 1 1 A 51 51 SER H H 51 7.400 8.080 -0.680 1
1 641 . 15 1 1 A 51 51 SER HA H 51 3.926 4.263 -0.337 1
1 644 . 15 1 1 A 51 51 SER C C 51 176.027 175.339 0.688 1
1 645 . 15 1 1 A 51 51 SER CA C 51 59.762 61.286 -1.524 1
1 646 . 15 1 1 A 51 51 SER CB C 51 60.955 63.149 -2.194 1
1 647 . 15 1 1 A 51 51 SER N N 51 118.432 116.866 1.566 1
1 648 . 15 1 1 A 52 52 ILE H H 52 7.790 7.602 0.188 1
1 649 . 15 1 1 A 52 52 ILE HA H 52 3.642 3.834 -0.192 1
1 659 . 15 1 1 A 52 52 ILE C C 52 176.427 177.418 -0.991 1
1 660 . 15 1 1 A 52 52 ILE CA C 52 61.984 63.216 -1.232 1
1 661 . 15 1 1 A 52 52 ILE CB C 52 34.990 37.663 -2.673 1
1 665 . 15 1 1 A 52 52 ILE N N 52 123.838 120.916 2.922 1
1 666 . 15 1 1 A 53 53 ASP H H 53 8.092 8.339 -0.247 1
1 667 . 15 1 1 A 53 53 ASP HA H 53 4.225 4.187 0.038 1
1 670 . 15 1 1 A 53 53 ASP C C 53 178.227 178.404 -0.177 1
1 671 . 15 1 1 A 53 53 ASP CA C 53 56.606 57.750 -1.144 1
1 672 . 15 1 1 A 53 53 ASP CB C 53 39.034 41.946 -2.912 1
1 673 . 15 1 1 A 53 53 ASP N N 53 121.313 122.607 -1.294 1
1 674 . 15 1 1 A 54 54 ASP H H 54 7.811 7.974 -0.163 1
1 675 . 15 1 1 A 54 54 ASP HA H 54 4.253 4.353 -0.100 1
1 678 . 15 1 1 A 54 54 ASP C C 54 177.927 178.218 -0.291 1
1 679 . 15 1 1 A 54 54 ASP CA C 54 56.467 57.288 -0.821 1
1 680 . 15 1 1 A 54 54 ASP CB C 54 39.401 40.868 -1.467 1
1 681 . 15 1 1 A 54 54 ASP N N 54 120.122 119.248 0.874 1
1 682 . 15 1 1 A 55 55 LEU H H 55 7.789 7.933 -0.144 1
1 683 . 15 1 1 A 55 55 LEU HA H 55 3.979 4.025 -0.046 1
1 693 . 15 1 1 A 55 55 LEU C C 55 178.027 178.317 -0.290 1
1 694 . 15 1 1 A 55 55 LEU CA C 55 56.713 58.111 -1.398 1
1 695 . 15 1 1 A 55 55 LEU CB C 55 40.799 41.307 -0.508 1
1 699 . 15 1 1 A 55 55 LEU N N 55 122.944 120.803 2.141 1
1 700 . 15 1 1 A 56 56 MET H H 56 8.601 8.249 0.352 1
1 701 . 15 1 1 A 56 56 MET HA H 56 3.827 4.036 -0.209 1
1 709 . 15 1 1 A 56 56 MET C C 56 177.027 178.849 -1.822 1
1 710 . 15 1 1 A 56 56 MET CA C 56 57.116 58.201 -1.085 1
1 711 . 15 1 1 A 56 56 MET CB C 56 29.825 31.600 -1.775 1
1 714 . 15 1 1 A 56 56 MET N N 56 117.863 117.812 0.051 1
1 715 . 15 1 1 A 57 57 LYS H H 57 7.693 8.206 -0.513 1
1 716 . 15 1 1 A 57 57 LYS HA H 57 3.954 4.107 -0.153 1
1 725 . 15 1 1 A 57 57 LYS C C 57 178.127 178.744 -0.617 1
1 726 . 15 1 1 A 57 57 LYS CA C 57 58.352 59.174 -0.822 1
1 727 . 15 1 1 A 57 57 LYS CB C 57 31.315 32.022 -0.707 1
1 731 . 15 1 1 A 57 57 LYS N N 57 116.455 121.051 -4.596 1
1 732 . 15 1 1 A 58 58 SER H H 58 7.661 7.664 -0.003 1
1 733 . 15 1 1 A 58 58 SER HA H 58 4.115 4.251 -0.136 1
1 736 . 15 1 1 A 58 58 SER C C 58 174.827 177.057 -2.230 1
1 737 . 15 1 1 A 58 58 SER CA C 58 59.986 61.003 -1.017 1
1 738 . 15 1 1 A 58 58 SER CB C 58 62.464 62.987 -0.523 1
1 739 . 15 1 1 A 58 58 SER N N 58 113.020 114.862 -1.842 1
1 740 . 15 1 1 A 59 59 LEU H H 59 7.917 8.228 -0.311 1
1 741 . 15 1 1 A 59 59 LEU HA H 59 4.269 4.093 0.176 1
1 751 . 15 1 1 A 59 59 LEU C C 59 177.627 178.045 -0.418 1
1 752 . 15 1 1 A 59 59 LEU CA C 59 54.402 57.864 -3.462 1
1 753 . 15 1 1 A 59 59 LEU CB C 59 43.731 41.427 2.304 1
1 757 . 15 1 1 A 59 59 LEU N N 59 117.463 121.199 -3.736 1
1 758 . 15 1 1 A 60 60 ASP H H 60 8.025 8.078 -0.053 1
1 759 . 15 1 1 A 60 60 ASP HA H 60 4.566 4.655 -0.089 1
1 762 . 15 1 1 A 60 60 ASP C C 60 176.627 176.658 -0.031 1
1 763 . 15 1 1 A 60 60 ASP CA C 60 52.335 53.028 -0.693 1
1 764 . 15 1 1 A 60 60 ASP CB C 60 38.139 39.301 -1.162 1
1 765 . 15 1 1 A 60 60 ASP N N 60 117.588 117.917 -0.329 1
1 766 . 15 1 1 A 61 61 LYS H H 61 8.100 8.296 -0.196 1
1 767 . 15 1 1 A 61 61 LYS HA H 61 4.035 4.258 -0.223 1
1 776 . 15 1 1 A 61 61 LYS C C 61 176.727 177.502 -0.775 1
1 777 . 15 1 1 A 61 61 LYS CA C 61 56.887 58.253 -1.366 1
1 778 . 15 1 1 A 61 61 LYS CB C 61 31.653 32.584 -0.931 1
1 782 . 15 1 1 A 61 61 LYS N N 61 126.943 125.852 1.091 1
1 783 . 15 1 1 A 62 62 ASN H H 62 7.864 7.825 0.039 1
1 784 . 15 1 1 A 62 62 ASN HA H 62 4.759 4.871 -0.112 1
1 789 . 15 1 1 A 62 62 ASN C C 62 173.727 175.275 -1.548 1
1 790 . 15 1 1 A 62 62 ASN CA C 62 50.660 51.959 -1.299 1
1 791 . 15 1 1 A 62 62 ASN CB C 62 35.920 40.061 -4.141 1
1 792 . 15 1 1 A 62 62 ASN N N 62 113.588 113.663 -0.075 1
1 794 . 15 1 1 A 63 63 SER H H 63 7.613 8.615 -1.002 1
1 795 . 15 1 1 A 63 63 SER HA H 63 3.962 4.257 -0.295 1
1 798 . 15 1 1 A 63 63 SER C C 63 172.927 174.010 -1.083 1
1 799 . 15 1 1 A 63 63 SER CA C 63 58.262 59.365 -1.103 1
1 800 . 15 1 1 A 63 63 SER CB C 63 60.708 61.237 -0.529 1
1 801 . 15 1 1 A 63 63 SER N N 63 111.592 111.347 0.245 1
1 802 . 15 1 1 A 64 64 ASP H H 64 8.217 8.374 -0.157 1
1 803 . 15 1 1 A 64 64 ASP HA H 64 4.653 4.526 0.127 1
1 806 . 15 1 1 A 64 64 ASP C C 64 175.927 176.146 -0.219 1
1 807 . 15 1 1 A 64 64 ASP CA C 64 51.641 54.208 -2.567 1
1 808 . 15 1 1 A 64 64 ASP CB C 64 39.385 41.623 -2.238 1
1 809 . 15 1 1 A 64 64 ASP N N 64 118.913 118.360 0.553 1
1 810 . 15 1 1 A 65 65 GLN H H 65 10.239 8.171 2.068 1
1 811 . 15 1 1 A 65 65 GLN HA H 65 3.356 4.256 -0.900 1
1 818 . 15 1 1 A 65 65 GLN C C 65 172.627 174.784 -2.157 1
1 819 . 15 1 1 A 65 65 GLN CA C 65 56.325 57.100 -0.775 1
1 820 . 15 1 1 A 65 65 GLN CB C 65 24.910 26.481 -1.571 1
1 822 . 15 1 1 A 65 65 GLN N N 65 114.908 119.750 -4.842 1
1 824 . 15 1 1 A 66 66 GLU H H 66 7.710 7.970 -0.260 1
1 825 . 15 1 1 A 66 66 GLU HA H 66 4.691 4.864 -0.173 1
1 830 . 15 1 1 A 66 66 GLU C C 66 174.127 175.086 -0.959 1
1 831 . 15 1 1 A 66 66 GLU CA C 66 52.987 54.823 -1.836 1
1 832 . 15 1 1 A 66 66 GLU CB C 66 32.433 32.189 0.244 1
1 834 . 15 1 1 A 66 66 GLU N N 66 115.721 119.725 -4.004 1
1 835 . 15 1 1 A 67 67 ILE H H 67 9.938 8.945 0.993 1
1 836 . 15 1 1 A 67 67 ILE HA H 67 5.291 4.684 0.607 1
1 846 . 15 1 1 A 67 67 ILE C C 67 175.627 174.141 1.486 1
1 847 . 15 1 1 A 67 67 ILE CA C 67 56.241 60.398 -4.157 1
1 848 . 15 1 1 A 67 67 ILE CB C 67 35.492 39.529 -4.037 1
1 852 . 15 1 1 A 67 67 ILE N N 67 125.901 124.119 1.782 1
1 853 . 15 1 1 A 68 68 ASP H H 68 8.794 8.852 -0.058 1
1 854 . 15 1 1 A 68 68 ASP HA H 68 5.002 5.202 -0.200 1
1 857 . 15 1 1 A 68 68 ASP C C 68 174.427 177.097 -2.670 1
1 858 . 15 1 1 A 68 68 ASP CA C 68 51.563 52.769 -1.206 1
1 859 . 15 1 1 A 68 68 ASP CB C 68 40.493 43.306 -2.813 1
1 860 . 15 1 1 A 68 68 ASP N N 68 127.844 129.110 -1.266 1
1 861 . 15 1 1 A 69 69 PHE H H 69 9.068 9.173 -0.105 1
1 862 . 15 1 1 A 69 69 PHE HA H 69 3.130 4.243 -1.113 1
1 869 . 15 1 1 A 69 69 PHE C C 69 176.827 177.943 -1.116 1
1 870 . 15 1 1 A 69 69 PHE CA C 69 62.478 61.219 1.259 1
1 871 . 15 1 1 A 69 69 PHE CB C 69 38.096 38.849 -0.753 1
1 872 . 15 1 1 A 69 69 PHE N N 69 118.955 125.425 -6.470 1
1 873 . 15 1 1 A 70 70 LYS H H 70 8.123 8.302 -0.179 1
1 874 . 15 1 1 A 70 70 LYS HA H 70 3.871 4.190 -0.319 1
1 883 . 15 1 1 A 70 70 LYS C C 70 179.527 178.532 0.995 1
1 884 . 15 1 1 A 70 70 LYS CA C 70 59.457 58.450 1.007 1
1 885 . 15 1 1 A 70 70 LYS CB C 70 30.772 31.330 -0.558 1
1 889 . 15 1 1 A 70 70 LYS N N 70 120.287 117.616 2.671 1
1 890 . 15 1 1 A 71 71 GLU H H 71 8.746 8.466 0.280 1
1 891 . 15 1 1 A 71 71 GLU HA H 71 4.099 4.482 -0.383 1
1 896 . 15 1 1 A 71 71 GLU C C 71 179.127 178.502 0.625 1
1 897 . 15 1 1 A 71 71 GLU CA C 71 57.934 58.140 -0.206 1
1 898 . 15 1 1 A 71 71 GLU CB C 71 29.266 30.918 -1.652 1
1 900 . 15 1 1 A 71 71 GLU N N 71 122.207 119.016 3.191 1
1 901 . 15 1 1 A 72 72 TYR H H 72 8.879 8.743 0.136 1
1 902 . 15 1 1 A 72 72 TYR HA H 72 4.010 4.116 -0.106 1
1 909 . 15 1 1 A 72 72 TYR C C 72 175.927 178.018 -2.091 1
1 910 . 15 1 1 A 72 72 TYR CA C 72 58.551 61.916 -3.365 1
1 911 . 15 1 1 A 72 72 TYR CB C 72 38.072 38.879 -0.807 1
1 912 . 15 1 1 A 72 72 TYR N N 72 121.813 122.361 -0.548 1
1 913 . 15 1 1 A 73 73 SER H H 73 8.414 8.410 0.004 1
1 914 . 15 1 1 A 73 73 SER HA H 73 3.462 4.424 -0.962 1
1 917 . 15 1 1 A 73 73 SER C C 73 175.127 176.069 -0.942 1
1 918 . 15 1 1 A 73 73 SER CA C 73 61.876 61.645 0.231 1
1 919 . 15 1 1 A 73 73 SER CB C 73 61.327 63.363 -2.036 1
1 920 . 15 1 1 A 73 73 SER N N 73 117.840 115.864 1.976 1
1 921 . 15 1 1 A 74 74 VAL H H 74 7.363 8.339 -0.976 1
1 922 . 15 1 1 A 74 74 VAL HA H 74 3.584 3.673 -0.089 1
1 930 . 15 1 1 A 74 74 VAL C C 74 178.027 178.302 -0.275 1
1 931 . 15 1 1 A 74 74 VAL CA C 74 65.397 66.354 -0.957 1
1 932 . 15 1 1 A 74 74 VAL CB C 74 30.300 31.533 -1.233 1
1 935 . 15 1 1 A 74 74 VAL N N 74 123.439 121.895 1.544 1
1 936 . 15 1 1 A 75 75 PHE H H 75 7.282 8.101 -0.819 1
1 937 . 15 1 1 A 75 75 PHE HA H 75 4.562 4.027 0.535 1
1 945 . 15 1 1 A 75 75 PHE C C 75 176.127 176.871 -0.744 1
1 946 . 15 1 1 A 75 75 PHE CA C 75 57.851 61.034 -3.183 1
1 947 . 15 1 1 A 75 75 PHE CB C 75 36.863 38.771 -1.908 1
1 948 . 15 1 1 A 75 75 PHE N N 75 122.766 120.893 1.873 1
1 949 . 15 1 1 A 76 76 LEU H H 76 7.823 7.999 -0.176 1
1 950 . 15 1 1 A 76 76 LEU HA H 76 3.445 3.702 -0.257 1
1 960 . 15 1 1 A 76 76 LEU C C 76 178.927 179.352 -0.425 1
1 961 . 15 1 1 A 76 76 LEU CA C 76 56.891 57.775 -0.884 1
1 962 . 15 1 1 A 76 76 LEU CB C 76 39.917 41.442 -1.525 1
1 966 . 15 1 1 A 76 76 LEU N N 76 115.619 118.886 -3.267 1
1 967 . 15 1 1 A 77 77 THR H H 77 7.858 8.242 -0.384 1
1 968 . 15 1 1 A 77 77 THR HA H 77 3.665 3.829 -0.164 1
1 974 . 15 1 1 A 77 77 THR C C 77 175.427 175.950 -0.523 1
1 975 . 15 1 1 A 77 77 THR CA C 77 66.127 66.701 -0.574 1
1 976 . 15 1 1 A 77 77 THR CB C 77 67.585 67.764 -0.179 1
1 978 . 15 1 1 A 77 77 THR N N 77 113.417 116.157 -2.740 1
1 979 . 15 1 1 A 78 78 MET H H 78 7.970 8.247 -0.277 1
1 980 . 15 1 1 A 78 78 MET HA H 78 3.935 4.169 -0.234 1
1 988 . 15 1 1 A 78 78 MET C C 78 179.127 178.227 0.900 1
1 989 . 15 1 1 A 78 78 MET CA C 78 58.780 58.075 0.705 1
1 990 . 15 1 1 A 78 78 MET CB C 78 31.501 32.032 -0.531 1
1 993 . 15 1 1 A 78 78 MET N N 78 122.745 119.825 2.920 1
1 994 . 15 1 1 A 79 79 LEU H H 79 7.898 8.069 -0.171 1
1 995 . 15 1 1 A 79 79 LEU HA H 79 3.870 3.876 -0.006 1
1 1005 . 15 1 1 A 79 79 LEU C C 79 178.427 178.765 -0.338 1
1 1006 . 15 1 1 A 79 79 LEU CA C 79 56.843 57.969 -1.126 1
1 1007 . 15 1 1 A 79 79 LEU CB C 79 41.099 41.937 -0.838 1
1 1011 . 15 1 1 A 79 79 LEU N N 79 120.989 119.709 1.280 1
1 1012 . 15 1 1 A 80 80 CYS H H 80 8.400 8.627 -0.227 1
1 1013 . 15 1 1 A 80 80 CYS HA H 80 3.830 4.235 -0.405 1
1 1017 . 15 1 1 A 80 80 CYS C C 80 175.927 177.758 -1.831 1
1 1018 . 15 1 1 A 80 80 CYS CA C 80 64.044 62.849 1.195 1
1 1019 . 15 1 1 A 80 80 CYS CB C 80 25.626 26.654 -1.028 1
1 1020 . 15 1 1 A 80 80 CYS N N 80 117.746 116.621 1.125 1
1 1021 . 15 1 1 A 81 81 MET H H 81 8.295 8.228 0.067 1
1 1022 . 15 1 1 A 81 81 MET HA H 81 4.023 4.544 -0.521 1
1 1030 . 15 1 1 A 81 81 MET C C 81 177.327 177.976 -0.649 1
1 1031 . 15 1 1 A 81 81 MET CA C 81 57.601 58.163 -0.562 1
1 1032 . 15 1 1 A 81 81 MET CB C 81 30.668 31.968 -1.300 1
1 1035 . 15 1 1 A 81 81 MET N N 81 117.598 119.564 -1.966 1
1 1036 . 15 1 1 A 82 82 ALA H H 82 7.624 7.696 -0.072 1
1 1037 . 15 1 1 A 82 82 ALA HA H 82 4.061 4.147 -0.086 1
1 1041 . 15 1 1 A 82 82 ALA C C 82 179.627 179.334 0.293 1
1 1042 . 15 1 1 A 82 82 ALA CA C 82 53.856 55.147 -1.291 1
1 1043 . 15 1 1 A 82 82 ALA CB C 82 16.794 18.412 -1.618 1
1 1044 . 15 1 1 A 82 82 ALA N N 82 121.886 121.722 0.164 1
1 1045 . 15 1 1 A 83 83 TYR H H 83 8.476 8.147 0.329 1
1 1046 . 15 1 1 A 83 83 TYR HA H 83 4.147 4.370 -0.223 1
1 1053 . 15 1 1 A 83 83 TYR C C 83 178.127 178.031 0.096 1
1 1054 . 15 1 1 A 83 83 TYR CA C 83 60.066 61.526 -1.460 1
1 1055 . 15 1 1 A 83 83 TYR CB C 83 36.546 37.389 -0.843 1
1 1056 . 15 1 1 A 83 83 TYR N N 83 119.136 116.533 2.603 1
1 1057 . 15 1 1 A 84 84 ASN H H 84 8.386 8.293 0.093 1
1 1058 . 15 1 1 A 84 84 ASN HA H 84 4.221 4.509 -0.288 1
1 1063 . 15 1 1 A 84 84 ASN C C 84 175.427 177.683 -2.256 1
1 1064 . 15 1 1 A 84 84 ASN CA C 84 56.123 56.695 -0.572 1
1 1065 . 15 1 1 A 84 84 ASN CB C 84 37.387 39.214 -1.827 1
1 1066 . 15 1 1 A 84 84 ASN N N 84 120.692 119.308 1.384 1
1 1068 . 15 1 1 A 85 85 ASP H H 85 7.611 7.966 -0.355 1
1 1069 . 15 1 1 A 85 85 ASP HA H 85 4.234 4.373 -0.139 1
1 1072 . 15 1 1 A 85 85 ASP C C 85 178.227 178.897 -0.670 1
1 1073 . 15 1 1 A 85 85 ASP CA C 85 56.752 57.387 -0.635 1
1 1074 . 15 1 1 A 85 85 ASP CB C 85 38.688 40.772 -2.084 1
1 1075 . 15 1 1 A 85 85 ASP N N 85 118.378 118.881 -0.503 1
1 1076 . 15 1 1 A 86 86 PHE H H 86 7.538 8.458 -0.920 1
1 1077 . 15 1 1 A 86 86 PHE HA H 86 4.291 4.386 -0.095 1
1 1084 . 15 1 1 A 86 86 PHE C C 86 176.627 177.484 -0.857 1
1 1085 . 15 1 1 A 86 86 PHE CA C 86 58.743 61.334 -2.591 1
1 1086 . 15 1 1 A 86 86 PHE CB C 86 37.488 38.782 -1.294 1
1 1087 . 15 1 1 A 86 86 PHE N N 86 118.712 121.718 -3.006 1
1 1088 . 15 1 1 A 87 87 PHE H H 87 8.132 8.336 -0.204 1
1 1089 . 15 1 1 A 87 87 PHE HA H 87 3.906 4.208 -0.302 1
1 1096 . 15 1 1 A 87 87 PHE C C 87 176.627 177.068 -0.441 1
1 1097 . 15 1 1 A 87 87 PHE CA C 87 59.554 61.364 -1.810 1
1 1098 . 15 1 1 A 87 87 PHE CB C 87 38.017 39.434 -1.417 1
1 1099 . 15 1 1 A 87 87 PHE N N 87 121.649 120.018 1.631 1
1 1100 . 15 1 1 A 88 88 LEU H H 88 7.953 7.846 0.107 1
1 1101 . 15 1 1 A 88 88 LEU HA H 88 3.775 4.371 -0.596 1
1 1111 . 15 1 1 A 88 88 LEU C C 88 177.627 178.066 -0.439 1
1 1112 . 15 1 1 A 88 88 LEU CA C 88 55.078 55.480 -0.402 1
1 1113 . 15 1 1 A 88 88 LEU CB C 88 41.226 41.748 -0.522 1
1 1117 . 15 1 1 A 88 88 LEU N N 88 118.897 118.800 0.097 1
1 1118 . 15 1 1 A 89 89 GLU H H 89 7.475 7.845 -0.370 1
1 1119 . 15 1 1 A 89 89 GLU HA H 89 3.914 4.103 -0.189 1
1 1124 . 15 1 1 A 89 89 GLU C C 89 176.127 177.208 -1.081 1
1 1125 . 15 1 1 A 89 89 GLU CA C 89 56.926 58.992 -2.066 1
1 1126 . 15 1 1 A 89 89 GLU CB C 89 28.567 29.583 -1.016 1
1 1128 . 15 1 1 A 89 89 GLU N N 89 119.332 119.852 -0.520 1
1 1129 . 15 1 1 A 90 90 ASP H H 90 7.750 8.220 -0.470 1
1 1130 . 15 1 1 A 90 90 ASP HA H 90 4.370 4.730 -0.360 1
1 1133 . 15 1 1 A 90 90 ASP C C 90 175.227 176.926 -1.699 1
1 1134 . 15 1 1 A 90 90 ASP CA C 90 53.593 55.675 -2.082 1
1 1135 . 15 1 1 A 90 90 ASP CB C 90 40.323 41.867 -1.544 1
1 1136 . 15 1 1 A 90 90 ASP N N 90 118.945 120.496 -1.551 1
1 1137 . 15 1 1 A 91 91 ASN H H 91 7.681 7.866 -0.185 1
1 1138 . 15 1 1 A 91 91 ASN HA H 91 4.495 4.919 -0.424 1
1 1143 . 15 1 1 A 91 91 ASN C C 91 173.027 175.059 -2.032 1
1 1144 . 15 1 1 A 91 91 ASN CA C 91 52.041 52.827 -0.786 1
1 1145 . 15 1 1 A 91 91 ASN CB C 91 38.072 38.422 -0.350 1
1 1146 . 15 1 1 A 91 91 ASN N N 91 118.171 116.198 1.973 1
1 10 . 16 1 1 A 2 2 GLU H H 2 8.776 9.006 -0.230 1
1 11 . 16 1 1 A 2 2 GLU HA H 2 4.535 4.451 0.084 1
1 16 . 16 1 1 A 2 2 GLU C C 2 175.627 176.629 -1.002 1
1 17 . 16 1 1 A 2 2 GLU CA C 2 55.573 57.296 -1.723 1
1 18 . 16 1 1 A 2 2 GLU CB C 2 30.569 30.816 -0.247 1
1 20 . 16 1 1 A 2 2 GLU N N 2 124.305 122.109 2.196 1
1 21 . 16 1 1 A 3 3 THR H H 3 8.835 8.245 0.590 1
1 22 . 16 1 1 A 3 3 THR HA H 3 4.608 4.840 -0.232 1
1 27 . 16 1 1 A 3 3 THR CA C 3 59.187 59.100 0.087 1
1 28 . 16 1 1 A 3 3 THR CB C 3 67.385 71.547 -4.162 1
1 30 . 16 1 1 A 3 3 THR N N 3 116.176 109.146 7.030 1
1 31 . 16 1 1 A 4 4 PRO HA H 4 4.158 4.494 -0.336 1
1 38 . 16 1 1 A 4 4 PRO C C 4 179.327 177.834 1.493 1
1 39 . 16 1 1 A 4 4 PRO CA C 4 65.040 64.091 0.949 1
1 40 . 16 1 1 A 4 4 PRO CB C 4 30.616 31.960 -1.344 1
1 43 . 16 1 1 A 5 5 LEU H H 5 8.794 7.708 1.086 1
1 44 . 16 1 1 A 5 5 LEU HA H 5 3.944 4.058 -0.114 1
1 54 . 16 1 1 A 5 5 LEU C C 5 177.327 178.479 -1.152 1
1 55 . 16 1 1 A 5 5 LEU CA C 5 56.920 57.484 -0.564 1
1 56 . 16 1 1 A 5 5 LEU CB C 5 41.139 41.452 -0.313 1
1 60 . 16 1 1 A 5 5 LEU N N 5 118.892 118.025 0.867 1
1 61 . 16 1 1 A 6 6 GLU H H 6 7.664 8.223 -0.559 1
1 62 . 16 1 1 A 6 6 GLU HA H 6 3.744 3.940 -0.196 1
1 67 . 16 1 1 A 6 6 GLU C C 6 178.827 179.330 -0.503 1
1 68 . 16 1 1 A 6 6 GLU CA C 6 59.347 59.712 -0.365 1
1 69 . 16 1 1 A 6 6 GLU CB C 6 28.700 29.233 -0.533 1
1 71 . 16 1 1 A 6 6 GLU N N 6 118.741 118.078 0.663 1
1 72 . 16 1 1 A 7 7 LYS H H 7 8.435 8.139 0.296 1
1 73 . 16 1 1 A 7 7 LYS HA H 7 3.909 4.118 -0.209 1
1 82 . 16 1 1 A 7 7 LYS C C 7 178.527 179.201 -0.674 1
1 83 . 16 1 1 A 7 7 LYS CA C 7 58.539 59.087 -0.548 1
1 84 . 16 1 1 A 7 7 LYS CB C 7 31.217 31.833 -0.616 1
1 88 . 16 1 1 A 7 7 LYS N N 7 119.285 119.409 -0.124 1
1 89 . 16 1 1 A 8 8 ALA H H 8 8.008 7.898 0.110 1
1 90 . 16 1 1 A 8 8 ALA HA H 8 4.038 3.989 0.049 1
1 94 . 16 1 1 A 8 8 ALA C C 8 178.327 179.738 -1.411 1
1 95 . 16 1 1 A 8 8 ALA CA C 8 54.356 55.147 -0.791 1
1 96 . 16 1 1 A 8 8 ALA CB C 8 17.509 18.651 -1.142 1
1 97 . 16 1 1 A 8 8 ALA N N 8 123.866 122.718 1.148 1
1 98 . 16 1 1 A 9 9 LEU H H 9 8.163 8.377 -0.214 1
1 99 . 16 1 1 A 9 9 LEU HA H 9 3.809 4.000 -0.191 1
1 109 . 16 1 1 A 9 9 LEU C C 9 178.527 179.152 -0.625 1
1 110 . 16 1 1 A 9 9 LEU CA C 9 57.256 58.014 -0.758 1
1 111 . 16 1 1 A 9 9 LEU CB C 9 40.483 41.831 -1.348 1
1 115 . 16 1 1 A 9 9 LEU N N 9 119.134 118.278 0.856 1
1 116 . 16 1 1 A 10 10 THR H H 10 8.186 8.139 0.047 1
1 117 . 16 1 1 A 10 10 THR HA H 10 3.741 3.962 -0.221 1
1 122 . 16 1 1 A 10 10 THR C C 10 176.727 176.625 0.102 1
1 123 . 16 1 1 A 10 10 THR CA C 10 66.345 66.703 -0.358 1
1 124 . 16 1 1 A 10 10 THR CB C 10 67.558 68.843 -1.285 1
1 126 . 16 1 1 A 10 10 THR N N 10 114.355 115.576 -1.221 1
1 127 . 16 1 1 A 11 11 THR H H 11 8.387 8.304 0.083 1
1 128 . 16 1 1 A 11 11 THR HA H 11 3.963 4.062 -0.099 1
1 133 . 16 1 1 A 11 11 THR C C 11 176.827 177.508 -0.681 1
1 134 . 16 1 1 A 11 11 THR CA C 11 65.801 65.939 -0.138 1
1 135 . 16 1 1 A 11 11 THR CB C 11 67.140 68.755 -1.615 1
1 137 . 16 1 1 A 11 11 THR N N 11 120.801 113.875 6.926 1
1 138 . 16 1 1 A 12 12 MET H H 12 8.299 8.477 -0.178 1
1 139 . 16 1 1 A 12 12 MET HA H 12 3.872 4.238 -0.366 1
1 147 . 16 1 1 A 12 12 MET C C 12 177.827 178.383 -0.556 1
1 148 . 16 1 1 A 12 12 MET CA C 12 59.263 58.150 1.113 1
1 149 . 16 1 1 A 12 12 MET CB C 12 31.845 32.555 -0.710 1
1 152 . 16 1 1 A 12 12 MET N N 12 124.102 119.728 4.374 1
1 153 . 16 1 1 A 13 13 VAL H H 13 7.820 8.330 -0.510 1
1 154 . 16 1 1 A 13 13 VAL HA H 13 3.937 4.105 -0.168 1
1 162 . 16 1 1 A 13 13 VAL C C 13 177.127 178.133 -1.006 1
1 163 . 16 1 1 A 13 13 VAL CA C 13 65.677 66.225 -0.548 1
1 164 . 16 1 1 A 13 13 VAL CB C 13 31.656 31.535 0.121 1
1 167 . 16 1 1 A 13 13 VAL N N 13 119.838 116.641 3.197 1
1 168 . 16 1 1 A 14 14 THR H H 14 9.107 8.273 0.834 1
1 169 . 16 1 1 A 14 14 THR HA H 14 3.654 3.988 -0.334 1
1 174 . 16 1 1 A 14 14 THR C C 14 177.527 176.686 0.841 1
1 175 . 16 1 1 A 14 14 THR CA C 14 65.273 66.337 -1.064 1
1 176 . 16 1 1 A 14 14 THR CB C 14 67.652 68.934 -1.282 1
1 178 . 16 1 1 A 14 14 THR N N 14 112.247 116.193 -3.946 1
1 179 . 16 1 1 A 15 15 THR H H 15 8.189 8.291 -0.102 1
1 180 . 16 1 1 A 15 15 THR HA H 15 3.864 4.137 -0.273 1
1 186 . 16 1 1 A 15 15 THR C C 15 173.627 176.808 -3.181 1
1 187 . 16 1 1 A 15 15 THR CA C 15 66.930 65.867 1.063 1
1 188 . 16 1 1 A 15 15 THR CB C 15 66.539 68.333 -1.794 1
1 190 . 16 1 1 A 15 15 THR N N 15 117.691 111.789 5.902 1
1 191 . 16 1 1 A 16 16 PHE H H 16 6.850 8.327 -1.477 1
1 192 . 16 1 1 A 16 16 PHE HA H 16 3.417 4.048 -0.631 1
1 199 . 16 1 1 A 16 16 PHE C C 16 175.627 177.283 -1.656 1
1 200 . 16 1 1 A 16 16 PHE CA C 16 61.577 61.541 0.036 1
1 201 . 16 1 1 A 16 16 PHE CB C 16 38.177 38.944 -0.767 1
1 202 . 16 1 1 A 16 16 PHE N N 16 120.169 123.939 -3.770 1
1 203 . 16 1 1 A 17 17 HIS H H 17 6.924 8.508 -1.584 1
1 204 . 16 1 1 A 17 17 HIS HA H 17 4.755 4.026 0.729 1
1 207 . 16 1 1 A 17 17 HIS C C 17 176.227 176.921 -0.694 1
1 208 . 16 1 1 A 17 17 HIS CA C 17 56.810 59.759 -2.949 1
1 209 . 16 1 1 A 17 17 HIS CB C 17 29.597 30.294 -0.697 1
1 210 . 16 1 1 A 17 17 HIS N N 17 115.499 117.871 -2.372 1
1 211 . 16 1 1 A 18 18 LYS H H 18 7.888 8.045 -0.157 1
1 212 . 16 1 1 A 18 18 LYS HA H 18 3.870 3.810 0.060 1
1 221 . 16 1 1 A 18 18 LYS C C 18 176.927 178.369 -1.442 1
1 222 . 16 1 1 A 18 18 LYS CA C 18 57.897 59.310 -1.413 1
1 223 . 16 1 1 A 18 18 LYS CB C 18 31.582 32.231 -0.649 1
1 227 . 16 1 1 A 18 18 LYS N N 18 121.217 119.826 1.391 1
1 228 . 16 1 1 A 19 19 TYR H H 19 6.928 8.244 -1.316 1
1 229 . 16 1 1 A 19 19 TYR HA H 19 4.163 4.071 0.092 1
1 234 . 16 1 1 A 19 19 TYR C C 19 175.027 178.255 -3.228 1
1 235 . 16 1 1 A 19 19 TYR CA C 19 59.335 60.490 -1.155 1
1 236 . 16 1 1 A 19 19 TYR CB C 19 39.515 37.751 1.764 1
1 237 . 16 1 1 A 19 19 TYR N N 19 114.488 119.463 -4.975 1
1 238 . 16 1 1 A 20 20 SER H H 20 8.021 8.114 -0.093 1
1 239 . 16 1 1 A 20 20 SER HA H 20 3.105 4.161 -1.056 1
1 242 . 16 1 1 A 20 20 SER C C 20 176.527 175.702 0.825 1
1 243 . 16 1 1 A 20 20 SER CA C 20 60.457 62.185 -1.728 1
1 244 . 16 1 1 A 20 20 SER CB C 20 60.326 62.334 -2.008 1
1 245 . 16 1 1 A 20 20 SER N N 20 112.624 115.513 -2.889 1
1 246 . 16 1 1 A 21 21 GLY H H 21 7.908 7.906 0.002 1
1 247 . 16 1 1 A 21 21 GLY HA2 H 21 4.197 3.918 0.279 1
1 248 . 16 1 1 A 21 21 GLY HA3 H 21 3.761 3.950 -0.189 1
1 249 . 16 1 1 A 21 21 GLY C C 21 173.027 174.514 -1.487 1
1 250 . 16 1 1 A 21 21 GLY CA C 21 44.357 45.740 -1.383 1
1 251 . 16 1 1 A 21 21 GLY N N 21 112.095 108.094 4.001 1
1 252 . 16 1 1 A 22 22 ARG H H 22 7.470 7.638 -0.168 1
1 253 . 16 1 1 A 22 22 ARG HA H 22 3.956 4.439 -0.483 1
1 260 . 16 1 1 A 22 22 ARG C C 22 176.327 175.799 0.528 1
1 261 . 16 1 1 A 22 22 ARG CA C 22 58.189 56.355 1.834 1
1 262 . 16 1 1 A 22 22 ARG CB C 22 29.483 31.984 -2.501 1
1 265 . 16 1 1 A 22 22 ARG N N 22 122.481 118.276 4.205 1
1 266 . 16 1 1 A 23 23 GLU H H 23 9.412 7.923 1.489 1
1 267 . 16 1 1 A 23 23 GLU HA H 23 4.626 4.676 -0.050 1
1 272 . 16 1 1 A 23 23 GLU C C 23 175.027 175.618 -0.591 1
1 273 . 16 1 1 A 23 23 GLU CA C 23 53.319 56.020 -2.701 1
1 274 . 16 1 1 A 23 23 GLU CB C 23 32.032 32.828 -0.796 1
1 276 . 16 1 1 A 23 23 GLU N N 23 116.123 118.297 -2.174 1
1 277 . 16 1 1 A 24 24 GLY H H 24 9.080 8.566 0.514 1
1 278 . 16 1 1 A 24 24 GLY HA2 H 24 3.694 3.865 -0.171 1
1 279 . 16 1 1 A 24 24 GLY HA3 H 24 3.878 3.872 0.006 1
1 280 . 16 1 1 A 24 24 GLY C C 24 172.827 173.737 -0.910 1
1 281 . 16 1 1 A 24 24 GLY CA C 24 44.707 46.720 -2.013 1
1 282 . 16 1 1 A 24 24 GLY N N 24 114.015 112.116 1.899 1
1 283 . 16 1 1 A 25 25 SER H H 25 8.465 8.442 0.023 1
1 284 . 16 1 1 A 25 25 SER HA H 25 4.312 4.787 -0.475 1
1 287 . 16 1 1 A 25 25 SER C C 25 178.027 174.784 3.243 1
1 288 . 16 1 1 A 25 25 SER CA C 25 57.478 58.250 -0.772 1
1 289 . 16 1 1 A 25 25 SER CB C 25 61.941 64.378 -2.437 1
1 290 . 16 1 1 A 25 25 SER N N 25 117.299 118.237 -0.938 1
1 291 . 16 1 1 A 26 26 LYS H H 26 9.532 8.460 1.072 1
1 292 . 16 1 1 A 26 26 LYS HA H 26 4.660 4.427 0.233 1
1 301 . 16 1 1 A 26 26 LYS C C 26 176.127 176.270 -0.143 1
1 302 . 16 1 1 A 26 26 LYS CA C 26 56.928 55.947 0.981 1
1 303 . 16 1 1 A 26 26 LYS CB C 26 30.526 33.424 -2.898 1
1 307 . 16 1 1 A 26 26 LYS N N 26 131.209 121.890 9.319 1
1 308 . 16 1 1 A 27 27 LEU H H 27 8.643 8.371 0.272 1
1 309 . 16 1 1 A 27 27 LEU HA H 27 4.583 3.857 0.726 1
1 319 . 16 1 1 A 27 27 LEU C C 27 174.827 175.327 -0.500 1
1 320 . 16 1 1 A 27 27 LEU CA C 27 53.205 56.176 -2.971 1
1 321 . 16 1 1 A 27 27 LEU CB C 27 41.824 41.780 0.044 1
1 325 . 16 1 1 A 27 27 LEU N N 27 118.729 121.022 -2.293 1
1 326 . 16 1 1 A 28 28 THR H H 28 7.037 7.291 -0.254 1
1 327 . 16 1 1 A 28 28 THR HA H 28 5.168 5.296 -0.128 1
1 332 . 16 1 1 A 28 28 THR C C 28 172.727 172.818 -0.091 1
1 333 . 16 1 1 A 28 28 THR CA C 28 57.915 59.420 -1.505 1
1 334 . 16 1 1 A 28 28 THR CB C 28 71.934 72.576 -0.642 1
1 336 . 16 1 1 A 28 28 THR N N 28 104.663 109.597 -4.934 1
1 337 . 16 1 1 A 29 29 LEU H H 29 9.517 9.277 0.240 1
1 338 . 16 1 1 A 29 29 LEU HA H 29 5.196 4.767 0.429 1
1 348 . 16 1 1 A 29 29 LEU C C 29 175.527 175.928 -0.401 1
1 349 . 16 1 1 A 29 29 LEU CA C 29 51.653 53.577 -1.924 1
1 350 . 16 1 1 A 29 29 LEU CB C 29 42.301 43.120 -0.819 1
1 354 . 16 1 1 A 29 29 LEU N N 29 125.388 125.493 -0.105 1
1 355 . 16 1 1 A 30 30 SER H H 30 10.053 9.286 0.767 1
1 356 . 16 1 1 A 30 30 SER HA H 30 4.475 4.714 -0.239 1
1 359 . 16 1 1 A 30 30 SER C C 30 173.427 175.159 -1.732 1
1 360 . 16 1 1 A 30 30 SER CA C 30 55.011 57.233 -2.222 1
1 361 . 16 1 1 A 30 30 SER CB C 30 64.446 64.918 -0.472 1
1 362 . 16 1 1 A 30 30 SER N N 30 121.114 119.859 1.255 1
1 363 . 16 1 1 A 31 31 ARG H H 31 8.992 8.922 0.070 1
1 364 . 16 1 1 A 31 31 ARG HA H 31 3.923 3.956 -0.033 1
1 371 . 16 1 1 A 31 31 ARG C C 31 177.027 177.954 -0.927 1
1 372 . 16 1 1 A 31 31 ARG CA C 31 59.408 59.785 -0.377 1
1 373 . 16 1 1 A 31 31 ARG CB C 31 29.041 30.019 -0.978 1
1 376 . 16 1 1 A 31 31 ARG N N 31 120.513 126.174 -5.661 1
1 377 . 16 1 1 A 32 32 LYS H H 32 7.845 7.578 0.267 1
1 378 . 16 1 1 A 32 32 LYS HA H 32 3.826 4.110 -0.284 1
1 387 . 16 1 1 A 32 32 LYS C C 32 178.927 178.783 0.144 1
1 388 . 16 1 1 A 32 32 LYS CA C 32 58.677 58.841 -0.164 1
1 389 . 16 1 1 A 32 32 LYS CB C 32 31.964 32.276 -0.312 1
1 393 . 16 1 1 A 32 32 LYS N N 32 117.011 118.091 -1.080 1
1 394 . 16 1 1 A 33 33 GLU H H 33 7.612 7.788 -0.176 1
1 395 . 16 1 1 A 33 33 GLU HA H 33 3.954 4.108 -0.154 1
1 400 . 16 1 1 A 33 33 GLU C C 33 177.227 179.278 -2.051 1
1 401 . 16 1 1 A 33 33 GLU CA C 33 58.289 59.119 -0.830 1
1 402 . 16 1 1 A 33 33 GLU CB C 33 29.757 29.268 0.489 1
1 404 . 16 1 1 A 33 33 GLU N N 33 120.815 120.285 0.530 1
1 405 . 16 1 1 A 34 34 LEU H H 34 8.694 8.086 0.608 1
1 406 . 16 1 1 A 34 34 LEU HA H 34 3.811 3.951 -0.140 1
1 416 . 16 1 1 A 34 34 LEU C C 34 176.927 178.067 -1.140 1
1 417 . 16 1 1 A 34 34 LEU CA C 34 57.025 57.440 -0.415 1
1 418 . 16 1 1 A 34 34 LEU CB C 34 40.638 41.285 -0.647 1
1 422 . 16 1 1 A 34 34 LEU N N 34 119.291 121.098 -1.807 1
1 423 . 16 1 1 A 35 35 LYS H H 35 8.114 8.211 -0.097 1
1 424 . 16 1 1 A 35 35 LYS HA H 35 3.569 3.853 -0.284 1
1 433 . 16 1 1 A 35 35 LYS C C 35 177.027 178.617 -1.590 1
1 434 . 16 1 1 A 35 35 LYS CA C 35 59.419 59.840 -0.421 1
1 435 . 16 1 1 A 35 35 LYS CB C 35 31.271 32.368 -1.097 1
1 439 . 16 1 1 A 35 35 LYS N N 35 117.277 119.048 -1.771 1
1 440 . 16 1 1 A 36 36 GLU H H 36 7.560 8.061 -0.501 1
1 441 . 16 1 1 A 36 36 GLU HA H 36 3.845 4.199 -0.354 1
1 446 . 16 1 1 A 36 36 GLU C C 36 175.827 178.877 -3.050 1
1 447 . 16 1 1 A 36 36 GLU CA C 36 58.190 59.076 -0.886 1
1 448 . 16 1 1 A 36 36 GLU CB C 36 28.253 29.360 -1.107 1
1 450 . 16 1 1 A 36 36 GLU N N 36 119.302 118.759 0.543 1
1 451 . 16 1 1 A 37 37 LEU H H 37 7.682 7.664 0.018 1
1 452 . 16 1 1 A 37 37 LEU HA H 37 2.280 2.919 -0.639 1
1 462 . 16 1 1 A 37 37 LEU C C 37 178.327 178.372 -0.045 1
1 463 . 16 1 1 A 37 37 LEU CA C 37 58.225 57.716 0.509 1
1 464 . 16 1 1 A 37 37 LEU CB C 37 41.090 41.457 -0.367 1
1 468 . 16 1 1 A 37 37 LEU N N 37 121.690 120.889 0.801 1
1 469 . 16 1 1 A 38 38 ILE H H 38 8.157 7.942 0.215 1
1 470 . 16 1 1 A 38 38 ILE HA H 38 3.292 3.644 -0.352 1
1 480 . 16 1 1 A 38 38 ILE C C 38 177.027 177.966 -0.939 1
1 481 . 16 1 1 A 38 38 ILE CA C 38 65.007 65.556 -0.549 1
1 482 . 16 1 1 A 38 38 ILE CB C 38 37.187 38.138 -0.951 1
1 486 . 16 1 1 A 38 38 ILE N N 38 117.626 119.621 -1.995 1
1 487 . 16 1 1 A 39 39 LYS H H 39 8.068 7.814 0.254 1
1 488 . 16 1 1 A 39 39 LYS HA H 39 3.876 4.294 -0.418 1
1 497 . 16 1 1 A 39 39 LYS C C 39 177.927 177.221 0.706 1
1 498 . 16 1 1 A 39 39 LYS CA C 39 58.204 58.084 0.120 1
1 499 . 16 1 1 A 39 39 LYS CB C 39 31.731 31.922 -0.191 1
1 503 . 16 1 1 A 39 39 LYS N N 39 117.909 118.736 -0.827 1
1 504 . 16 1 1 A 40 40 LYS H H 40 8.094 7.694 0.400 1
1 505 . 16 1 1 A 40 40 LYS HA H 40 4.248 4.449 -0.201 1
1 514 . 16 1 1 A 40 40 LYS C C 40 178.227 178.540 -0.313 1
1 515 . 16 1 1 A 40 40 LYS CA C 40 56.291 56.846 -0.555 1
1 516 . 16 1 1 A 40 40 LYS CB C 40 32.652 33.705 -1.053 1
1 520 . 16 1 1 A 40 40 LYS N N 40 114.323 117.619 -3.296 1
1 521 . 16 1 1 A 41 41 GLU H H 41 8.381 8.596 -0.215 1
1 522 . 16 1 1 A 41 41 GLU HA H 41 4.744 4.251 0.493 1
1 527 . 16 1 1 A 41 41 GLU C C 41 176.227 176.955 -0.728 1
1 528 . 16 1 1 A 41 41 GLU CA C 41 55.054 59.147 -4.093 1
1 529 . 16 1 1 A 41 41 GLU CB C 41 29.598 29.810 -0.212 1
1 531 . 16 1 1 A 41 41 GLU N N 41 113.079 119.323 -6.244 1
1 532 . 16 1 1 A 42 42 LEU H H 42 7.544 8.374 -0.830 1
1 533 . 16 1 1 A 42 42 LEU HA H 42 4.754 4.616 0.138 1
1 542 . 16 1 1 A 42 42 LEU CA C 42 52.564 53.843 -1.279 1
1 543 . 16 1 1 A 42 42 LEU CB C 42 43.848 42.592 1.256 1
1 546 . 16 1 1 A 42 42 LEU N N 42 118.458 121.426 -2.968 1
1 547 . 16 1 1 A 43 43 CYS H H 43 8.342 8.809 -0.467 1
1 548 . 16 1 1 A 43 43 CYS HA H 43 4.486 4.430 0.056 1
1 551 . 16 1 1 A 43 43 CYS C C 43 174.327 174.282 0.045 1
1 552 . 16 1 1 A 43 43 CYS CA C 43 57.655 59.125 -1.470 1
1 553 . 16 1 1 A 43 43 CYS CB C 43 25.653 26.956 -1.303 1
1 554 . 16 1 1 A 44 44 LEU H H 44 8.123 7.376 0.747 1
1 555 . 16 1 1 A 44 44 LEU HA H 44 4.339 4.726 -0.387 1
1 565 . 16 1 1 A 44 44 LEU C C 44 176.927 177.758 -0.831 1
1 566 . 16 1 1 A 44 44 LEU CA C 44 53.750 53.382 0.368 1
1 567 . 16 1 1 A 44 44 LEU CB C 44 40.784 44.157 -3.373 1
1 571 . 16 1 1 A 44 44 LEU N N 44 121.974 122.101 -0.127 1
1 572 . 16 1 1 A 45 45 GLY H H 45 8.072 8.897 -0.825 1
1 573 . 16 1 1 A 45 45 GLY HA2 H 45 3.889 3.848 0.041 1
1 574 . 16 1 1 A 45 45 GLY HA3 H 45 3.698 3.888 -0.190 1
1 575 . 16 1 1 A 45 45 GLY C C 45 173.127 174.371 -1.244 1
1 576 . 16 1 1 A 45 45 GLY CA C 45 44.291 45.968 -1.677 1
1 577 . 16 1 1 A 45 45 GLY N N 45 107.819 112.485 -4.666 1
1 578 . 16 1 1 A 46 46 GLU H H 46 8.472 7.608 0.864 1
1 579 . 16 1 1 A 46 46 GLU HA H 46 4.048 4.511 -0.463 1
1 584 . 16 1 1 A 46 46 GLU C C 46 175.727 176.901 -1.174 1
1 585 . 16 1 1 A 46 46 GLU CA C 46 56.461 55.359 1.102 1
1 586 . 16 1 1 A 46 46 GLU CB C 46 28.208 30.892 -2.684 1
1 588 . 16 1 1 A 46 46 GLU N N 46 120.563 121.006 -0.443 1
1 589 . 16 1 1 A 47 47 MET H H 47 8.189 8.924 -0.735 1
1 590 . 16 1 1 A 47 47 MET HA H 47 4.413 4.118 0.295 1
1 598 . 16 1 1 A 47 47 MET C C 47 175.027 175.688 -0.661 1
1 599 . 16 1 1 A 47 47 MET CA C 47 53.905 56.664 -2.759 1
1 600 . 16 1 1 A 47 47 MET CB C 47 32.611 32.239 0.372 1
1 603 . 16 1 1 A 47 47 MET N N 47 123.201 121.162 2.039 1
1 604 . 16 1 1 A 48 48 LYS H H 48 8.355 7.769 0.586 1
1 605 . 16 1 1 A 48 48 LYS HA H 48 4.237 4.274 -0.037 1
1 614 . 16 1 1 A 48 48 LYS C C 48 177.027 177.832 -0.805 1
1 615 . 16 1 1 A 48 48 LYS CA C 48 55.443 56.076 -0.633 1
1 616 . 16 1 1 A 48 48 LYS CB C 48 32.173 34.054 -1.881 1
1 620 . 16 1 1 A 48 48 LYS N N 48 123.046 120.378 2.668 1
1 621 . 16 1 1 A 49 49 GLU H H 49 8.742 8.913 -0.171 1
1 622 . 16 1 1 A 49 49 GLU HA H 49 3.884 4.102 -0.218 1
1 627 . 16 1 1 A 49 49 GLU C C 49 177.727 178.389 -0.662 1
1 628 . 16 1 1 A 49 49 GLU CA C 49 58.534 59.388 -0.854 1
1 629 . 16 1 1 A 49 49 GLU CB C 49 27.870 29.231 -1.361 1
1 631 . 16 1 1 A 49 49 GLU N N 49 122.407 124.261 -1.854 1
1 632 . 16 1 1 A 50 50 SER H H 50 8.324 7.920 0.404 1
1 633 . 16 1 1 A 50 50 SER HA H 50 4.188 4.260 -0.072 1
1 636 . 16 1 1 A 50 50 SER C C 50 175.427 176.479 -1.052 1
1 637 . 16 1 1 A 50 50 SER CA C 50 59.402 61.021 -1.619 1
1 638 . 16 1 1 A 50 50 SER CB C 50 61.442 62.919 -1.477 1
1 639 . 16 1 1 A 50 50 SER N N 50 112.475 116.485 -4.010 1
1 640 . 16 1 1 A 51 51 SER H H 51 7.400 8.255 -0.855 1
1 641 . 16 1 1 A 51 51 SER HA H 51 3.926 4.340 -0.414 1
1 644 . 16 1 1 A 51 51 SER C C 51 176.027 176.423 -0.396 1
1 645 . 16 1 1 A 51 51 SER CA C 51 59.762 60.428 -0.666 1
1 646 . 16 1 1 A 51 51 SER CB C 51 60.955 63.010 -2.055 1
1 647 . 16 1 1 A 51 51 SER N N 51 118.432 114.232 4.200 1
1 648 . 16 1 1 A 52 52 ILE H H 52 7.790 7.979 -0.189 1
1 649 . 16 1 1 A 52 52 ILE HA H 52 3.642 3.746 -0.104 1
1 659 . 16 1 1 A 52 52 ILE C C 52 176.427 177.707 -1.280 1
1 660 . 16 1 1 A 52 52 ILE CA C 52 61.984 64.719 -2.735 1
1 661 . 16 1 1 A 52 52 ILE CB C 52 34.990 36.262 -1.272 1
1 665 . 16 1 1 A 52 52 ILE N N 52 123.838 121.119 2.719 1
1 666 . 16 1 1 A 53 53 ASP H H 53 8.092 8.251 -0.159 1
1 667 . 16 1 1 A 53 53 ASP HA H 53 4.225 4.405 -0.180 1
1 670 . 16 1 1 A 53 53 ASP C C 53 178.227 178.479 -0.252 1
1 671 . 16 1 1 A 53 53 ASP CA C 53 56.606 57.490 -0.884 1
1 672 . 16 1 1 A 53 53 ASP CB C 53 39.034 40.443 -1.409 1
1 673 . 16 1 1 A 53 53 ASP N N 53 121.313 122.392 -1.079 1
1 674 . 16 1 1 A 54 54 ASP H H 54 7.811 8.027 -0.216 1
1 675 . 16 1 1 A 54 54 ASP HA H 54 4.253 4.388 -0.135 1
1 678 . 16 1 1 A 54 54 ASP C C 54 177.927 178.385 -0.458 1
1 679 . 16 1 1 A 54 54 ASP CA C 54 56.467 57.306 -0.839 1
1 680 . 16 1 1 A 54 54 ASP CB C 54 39.401 41.052 -1.651 1
1 681 . 16 1 1 A 54 54 ASP N N 54 120.122 119.896 0.226 1
1 682 . 16 1 1 A 55 55 LEU H H 55 7.789 8.177 -0.388 1
1 683 . 16 1 1 A 55 55 LEU HA H 55 3.979 4.054 -0.075 1
1 693 . 16 1 1 A 55 55 LEU C C 55 178.027 178.611 -0.584 1
1 694 . 16 1 1 A 55 55 LEU CA C 55 56.713 58.088 -1.375 1
1 695 . 16 1 1 A 55 55 LEU CB C 55 40.799 41.231 -0.432 1
1 699 . 16 1 1 A 55 55 LEU N N 55 122.944 121.220 1.724 1
1 700 . 16 1 1 A 56 56 MET H H 56 8.601 8.418 0.183 1
1 701 . 16 1 1 A 56 56 MET HA H 56 3.827 4.116 -0.289 1
1 709 . 16 1 1 A 56 56 MET C C 56 177.027 177.779 -0.752 1
1 710 . 16 1 1 A 56 56 MET CA C 56 57.116 58.584 -1.468 1
1 711 . 16 1 1 A 56 56 MET CB C 56 29.825 32.444 -2.619 1
1 714 . 16 1 1 A 56 56 MET N N 56 117.863 117.856 0.007 1
1 715 . 16 1 1 A 57 57 LYS H H 57 7.693 8.050 -0.357 1
1 716 . 16 1 1 A 57 57 LYS HA H 57 3.954 4.099 -0.145 1
1 725 . 16 1 1 A 57 57 LYS C C 57 178.127 178.015 0.112 1
1 726 . 16 1 1 A 57 57 LYS CA C 57 58.352 58.830 -0.478 1
1 727 . 16 1 1 A 57 57 LYS CB C 57 31.315 31.940 -0.625 1
1 731 . 16 1 1 A 57 57 LYS N N 57 116.455 120.803 -4.348 1
1 732 . 16 1 1 A 58 58 SER H H 58 7.661 8.075 -0.414 1
1 733 . 16 1 1 A 58 58 SER HA H 58 4.115 4.434 -0.319 1
1 736 . 16 1 1 A 58 58 SER C C 58 174.827 175.929 -1.102 1
1 737 . 16 1 1 A 58 58 SER CA C 58 59.986 60.874 -0.888 1
1 738 . 16 1 1 A 58 58 SER CB C 58 62.464 63.567 -1.103 1
1 739 . 16 1 1 A 58 58 SER N N 58 113.020 115.665 -2.645 1
1 740 . 16 1 1 A 59 59 LEU H H 59 7.917 7.906 0.011 1
1 741 . 16 1 1 A 59 59 LEU HA H 59 4.269 4.207 0.062 1
1 751 . 16 1 1 A 59 59 LEU C C 59 177.627 178.187 -0.560 1
1 752 . 16 1 1 A 59 59 LEU CA C 59 54.402 57.228 -2.826 1
1 753 . 16 1 1 A 59 59 LEU CB C 59 43.731 42.452 1.279 1
1 757 . 16 1 1 A 59 59 LEU N N 59 117.463 120.547 -3.084 1
1 758 . 16 1 1 A 60 60 ASP H H 60 8.025 8.242 -0.217 1
1 759 . 16 1 1 A 60 60 ASP HA H 60 4.566 4.666 -0.100 1
1 762 . 16 1 1 A 60 60 ASP C C 60 176.627 176.732 -0.105 1
1 763 . 16 1 1 A 60 60 ASP CA C 60 52.335 52.832 -0.497 1
1 764 . 16 1 1 A 60 60 ASP CB C 60 38.139 39.044 -0.905 1
1 765 . 16 1 1 A 60 60 ASP N N 60 117.588 118.053 -0.465 1
1 766 . 16 1 1 A 61 61 LYS H H 61 8.100 8.119 -0.019 1
1 767 . 16 1 1 A 61 61 LYS HA H 61 4.035 3.965 0.070 1
1 776 . 16 1 1 A 61 61 LYS C C 61 176.727 177.858 -1.131 1
1 777 . 16 1 1 A 61 61 LYS CA C 61 56.887 58.831 -1.944 1
1 778 . 16 1 1 A 61 61 LYS CB C 61 31.653 32.411 -0.758 1
1 782 . 16 1 1 A 61 61 LYS N N 61 126.943 126.423 0.520 1
1 783 . 16 1 1 A 62 62 ASN H H 62 7.864 7.871 -0.007 1
1 784 . 16 1 1 A 62 62 ASN HA H 62 4.759 4.797 -0.038 1
1 789 . 16 1 1 A 62 62 ASN C C 62 173.727 175.153 -1.426 1
1 790 . 16 1 1 A 62 62 ASN CA C 62 50.660 53.410 -2.750 1
1 791 . 16 1 1 A 62 62 ASN CB C 62 35.920 39.026 -3.106 1
1 792 . 16 1 1 A 62 62 ASN N N 62 113.588 115.317 -1.729 1
1 794 . 16 1 1 A 63 63 SER H H 63 7.613 8.193 -0.580 1
1 795 . 16 1 1 A 63 63 SER HA H 63 3.962 4.213 -0.251 1
1 798 . 16 1 1 A 63 63 SER C C 63 172.927 173.940 -1.013 1
1 799 . 16 1 1 A 63 63 SER CA C 63 58.262 59.093 -0.831 1
1 800 . 16 1 1 A 63 63 SER CB C 63 60.708 61.549 -0.841 1
1 801 . 16 1 1 A 63 63 SER N N 63 111.592 113.880 -2.288 1
1 802 . 16 1 1 A 64 64 ASP H H 64 8.217 8.506 -0.289 1
1 803 . 16 1 1 A 64 64 ASP HA H 64 4.653 4.883 -0.230 1
1 806 . 16 1 1 A 64 64 ASP C C 64 175.927 175.679 0.248 1
1 807 . 16 1 1 A 64 64 ASP CA C 64 51.641 53.402 -1.761 1
1 808 . 16 1 1 A 64 64 ASP CB C 64 39.385 41.242 -1.857 1
1 809 . 16 1 1 A 64 64 ASP N N 64 118.913 118.461 0.452 1
1 810 . 16 1 1 A 65 65 GLN H H 65 10.239 8.138 2.101 1
1 811 . 16 1 1 A 65 65 GLN HA H 65 3.356 4.581 -1.225 1
1 818 . 16 1 1 A 65 65 GLN C C 65 172.627 175.268 -2.641 1
1 819 . 16 1 1 A 65 65 GLN CA C 65 56.325 55.633 0.692 1
1 820 . 16 1 1 A 65 65 GLN CB C 65 24.910 31.156 -6.246 1
1 822 . 16 1 1 A 65 65 GLN N N 65 114.908 117.879 -2.971 1
1 824 . 16 1 1 A 66 66 GLU H H 66 7.710 8.100 -0.390 1
1 825 . 16 1 1 A 66 66 GLU HA H 66 4.691 4.899 -0.208 1
1 830 . 16 1 1 A 66 66 GLU C C 66 174.127 175.330 -1.203 1
1 831 . 16 1 1 A 66 66 GLU CA C 66 52.987 54.623 -1.636 1
1 832 . 16 1 1 A 66 66 GLU CB C 66 32.433 33.850 -1.417 1
1 834 . 16 1 1 A 66 66 GLU N N 66 115.721 118.191 -2.470 1
1 835 . 16 1 1 A 67 67 ILE H H 67 9.938 9.081 0.857 1
1 836 . 16 1 1 A 67 67 ILE HA H 67 5.291 4.778 0.513 1
1 846 . 16 1 1 A 67 67 ILE C C 67 175.627 175.804 -0.177 1
1 847 . 16 1 1 A 67 67 ILE CA C 67 56.241 60.986 -4.745 1
1 848 . 16 1 1 A 67 67 ILE CB C 67 35.492 38.689 -3.197 1
1 852 . 16 1 1 A 67 67 ILE N N 67 125.901 124.015 1.886 1
1 853 . 16 1 1 A 68 68 ASP H H 68 8.794 8.929 -0.135 1
1 854 . 16 1 1 A 68 68 ASP HA H 68 5.002 5.119 -0.117 1
1 857 . 16 1 1 A 68 68 ASP C C 68 174.427 176.333 -1.906 1
1 858 . 16 1 1 A 68 68 ASP CA C 68 51.563 52.697 -1.134 1
1 859 . 16 1 1 A 68 68 ASP CB C 68 40.493 41.275 -0.782 1
1 860 . 16 1 1 A 68 68 ASP N N 68 127.844 129.373 -1.529 1
1 861 . 16 1 1 A 69 69 PHE H H 69 9.068 9.203 -0.135 1
1 862 . 16 1 1 A 69 69 PHE HA H 69 3.130 3.948 -0.818 1
1 869 . 16 1 1 A 69 69 PHE C C 69 176.827 177.903 -1.076 1
1 870 . 16 1 1 A 69 69 PHE CA C 69 62.478 62.035 0.443 1
1 871 . 16 1 1 A 69 69 PHE CB C 69 38.096 39.486 -1.390 1
1 872 . 16 1 1 A 69 69 PHE N N 69 118.955 119.998 -1.043 1
1 873 . 16 1 1 A 70 70 LYS H H 70 8.123 8.454 -0.331 1
1 874 . 16 1 1 A 70 70 LYS HA H 70 3.871 4.202 -0.331 1
1 883 . 16 1 1 A 70 70 LYS C C 70 179.527 179.529 -0.002 1
1 884 . 16 1 1 A 70 70 LYS CA C 70 59.457 59.314 0.143 1
1 885 . 16 1 1 A 70 70 LYS CB C 70 30.772 31.866 -1.094 1
1 889 . 16 1 1 A 70 70 LYS N N 70 120.287 119.227 1.060 1
1 890 . 16 1 1 A 71 71 GLU H H 71 8.746 8.000 0.746 1
1 891 . 16 1 1 A 71 71 GLU HA H 71 4.099 4.135 -0.036 1
1 896 . 16 1 1 A 71 71 GLU C C 71 179.127 178.864 0.263 1
1 897 . 16 1 1 A 71 71 GLU CA C 71 57.934 58.919 -0.985 1
1 898 . 16 1 1 A 71 71 GLU CB C 71 29.266 30.136 -0.870 1
1 900 . 16 1 1 A 71 71 GLU N N 71 122.207 118.824 3.383 1
1 901 . 16 1 1 A 72 72 TYR H H 72 8.879 8.689 0.190 1
1 902 . 16 1 1 A 72 72 TYR HA H 72 4.010 4.181 -0.171 1
1 909 . 16 1 1 A 72 72 TYR C C 72 175.927 178.459 -2.532 1
1 910 . 16 1 1 A 72 72 TYR CA C 72 58.551 61.649 -3.098 1
1 911 . 16 1 1 A 72 72 TYR CB C 72 38.072 38.543 -0.471 1
1 912 . 16 1 1 A 72 72 TYR N N 72 121.813 122.155 -0.342 1
1 913 . 16 1 1 A 73 73 SER H H 73 8.414 8.295 0.119 1
1 914 . 16 1 1 A 73 73 SER HA H 73 3.462 4.015 -0.553 1
1 917 . 16 1 1 A 73 73 SER C C 73 175.127 176.423 -1.296 1
1 918 . 16 1 1 A 73 73 SER CA C 73 61.876 60.639 1.237 1
1 919 . 16 1 1 A 73 73 SER CB C 73 61.327 63.205 -1.878 1
1 920 . 16 1 1 A 73 73 SER N N 73 117.840 114.121 3.719 1
1 921 . 16 1 1 A 74 74 VAL H H 74 7.363 8.174 -0.811 1
1 922 . 16 1 1 A 74 74 VAL HA H 74 3.584 3.638 -0.054 1
1 930 . 16 1 1 A 74 74 VAL C C 74 178.027 178.242 -0.215 1
1 931 . 16 1 1 A 74 74 VAL CA C 74 65.397 66.044 -0.647 1
1 932 . 16 1 1 A 74 74 VAL CB C 74 30.300 31.225 -0.925 1
1 935 . 16 1 1 A 74 74 VAL N N 74 123.439 121.882 1.557 1
1 936 . 16 1 1 A 75 75 PHE H H 75 7.282 8.152 -0.870 1
1 937 . 16 1 1 A 75 75 PHE HA H 75 4.562 4.130 0.432 1
1 945 . 16 1 1 A 75 75 PHE C C 75 176.127 177.171 -1.044 1
1 946 . 16 1 1 A 75 75 PHE CA C 75 57.851 61.057 -3.206 1
1 947 . 16 1 1 A 75 75 PHE CB C 75 36.863 38.944 -2.081 1
1 948 . 16 1 1 A 75 75 PHE N N 75 122.766 121.162 1.604 1
1 949 . 16 1 1 A 76 76 LEU H H 76 7.823 7.861 -0.038 1
1 950 . 16 1 1 A 76 76 LEU HA H 76 3.445 3.594 -0.149 1
1 960 . 16 1 1 A 76 76 LEU C C 76 178.927 178.978 -0.051 1
1 961 . 16 1 1 A 76 76 LEU CA C 76 56.891 57.985 -1.094 1
1 962 . 16 1 1 A 76 76 LEU CB C 76 39.917 41.391 -1.474 1
1 966 . 16 1 1 A 76 76 LEU N N 76 115.619 119.349 -3.730 1
1 967 . 16 1 1 A 77 77 THR H H 77 7.858 7.858 0.000 1
1 968 . 16 1 1 A 77 77 THR HA H 77 3.665 3.700 -0.035 1
1 974 . 16 1 1 A 77 77 THR C C 77 175.427 176.873 -1.446 1
1 975 . 16 1 1 A 77 77 THR CA C 77 66.127 66.846 -0.719 1
1 976 . 16 1 1 A 77 77 THR CB C 77 67.585 68.435 -0.850 1
1 978 . 16 1 1 A 77 77 THR N N 77 113.417 114.956 -1.539 1
1 979 . 16 1 1 A 78 78 MET H H 78 7.970 7.804 0.166 1
1 980 . 16 1 1 A 78 78 MET HA H 78 3.935 3.929 0.006 1
1 988 . 16 1 1 A 78 78 MET C C 78 179.127 178.759 0.368 1
1 989 . 16 1 1 A 78 78 MET CA C 78 58.780 58.568 0.212 1
1 990 . 16 1 1 A 78 78 MET CB C 78 31.501 31.646 -0.145 1
1 993 . 16 1 1 A 78 78 MET N N 78 122.745 118.672 4.073 1
1 994 . 16 1 1 A 79 79 LEU H H 79 7.898 7.901 -0.003 1
1 995 . 16 1 1 A 79 79 LEU HA H 79 3.870 3.953 -0.083 1
1 1005 . 16 1 1 A 79 79 LEU C C 79 178.427 179.428 -1.001 1
1 1006 . 16 1 1 A 79 79 LEU CA C 79 56.843 57.793 -0.950 1
1 1007 . 16 1 1 A 79 79 LEU CB C 79 41.099 40.547 0.552 1
1 1011 . 16 1 1 A 79 79 LEU N N 79 120.989 119.476 1.513 1
1 1012 . 16 1 1 A 80 80 CYS H H 80 8.400 8.356 0.044 1
1 1013 . 16 1 1 A 80 80 CYS HA H 80 3.830 4.178 -0.348 1
1 1017 . 16 1 1 A 80 80 CYS C C 80 175.927 177.251 -1.324 1
1 1018 . 16 1 1 A 80 80 CYS CA C 80 64.044 62.420 1.624 1
1 1019 . 16 1 1 A 80 80 CYS CB C 80 25.626 27.274 -1.648 1
1 1020 . 16 1 1 A 80 80 CYS N N 80 117.746 119.103 -1.357 1
1 1021 . 16 1 1 A 81 81 MET H H 81 8.295 8.069 0.226 1
1 1022 . 16 1 1 A 81 81 MET HA H 81 4.023 4.157 -0.134 1
1 1030 . 16 1 1 A 81 81 MET C C 81 177.327 178.137 -0.810 1
1 1031 . 16 1 1 A 81 81 MET CA C 81 57.601 58.880 -1.279 1
1 1032 . 16 1 1 A 81 81 MET CB C 81 30.668 32.710 -2.042 1
1 1035 . 16 1 1 A 81 81 MET N N 81 117.598 119.108 -1.510 1
1 1036 . 16 1 1 A 82 82 ALA H H 82 7.624 7.557 0.067 1
1 1037 . 16 1 1 A 82 82 ALA HA H 82 4.061 4.017 0.044 1
1 1041 . 16 1 1 A 82 82 ALA C C 82 179.627 179.330 0.297 1
1 1042 . 16 1 1 A 82 82 ALA CA C 82 53.856 55.298 -1.442 1
1 1043 . 16 1 1 A 82 82 ALA CB C 82 16.794 18.549 -1.755 1
1 1044 . 16 1 1 A 82 82 ALA N N 82 121.886 121.120 0.766 1
1 1045 . 16 1 1 A 83 83 TYR H H 83 8.476 7.687 0.789 1
1 1046 . 16 1 1 A 83 83 TYR HA H 83 4.147 4.204 -0.057 1
1 1053 . 16 1 1 A 83 83 TYR C C 83 178.127 178.215 -0.088 1
1 1054 . 16 1 1 A 83 83 TYR CA C 83 60.066 61.679 -1.613 1
1 1055 . 16 1 1 A 83 83 TYR CB C 83 36.546 37.513 -0.967 1
1 1056 . 16 1 1 A 83 83 TYR N N 83 119.136 116.458 2.678 1
1 1057 . 16 1 1 A 84 84 ASN H H 84 8.386 8.175 0.211 1
1 1058 . 16 1 1 A 84 84 ASN HA H 84 4.221 4.443 -0.222 1
1 1063 . 16 1 1 A 84 84 ASN C C 84 175.427 177.693 -2.266 1
1 1064 . 16 1 1 A 84 84 ASN CA C 84 56.123 56.634 -0.511 1
1 1065 . 16 1 1 A 84 84 ASN CB C 84 37.387 39.120 -1.733 1
1 1066 . 16 1 1 A 84 84 ASN N N 84 120.692 119.835 0.857 1
1 1068 . 16 1 1 A 85 85 ASP H H 85 7.611 8.494 -0.883 1
1 1069 . 16 1 1 A 85 85 ASP HA H 85 4.234 4.511 -0.277 1
1 1072 . 16 1 1 A 85 85 ASP C C 85 178.227 177.954 0.273 1
1 1073 . 16 1 1 A 85 85 ASP CA C 85 56.752 56.410 0.342 1
1 1074 . 16 1 1 A 85 85 ASP CB C 85 38.688 40.682 -1.994 1
1 1075 . 16 1 1 A 85 85 ASP N N 85 118.378 118.634 -0.256 1
1 1076 . 16 1 1 A 86 86 PHE H H 86 7.538 7.755 -0.217 1
1 1077 . 16 1 1 A 86 86 PHE HA H 86 4.291 4.114 0.177 1
1 1084 . 16 1 1 A 86 86 PHE C C 86 176.627 177.089 -0.462 1
1 1085 . 16 1 1 A 86 86 PHE CA C 86 58.743 61.553 -2.810 1
1 1086 . 16 1 1 A 86 86 PHE CB C 86 37.488 39.284 -1.796 1
1 1087 . 16 1 1 A 86 86 PHE N N 86 118.712 121.712 -3.000 1
1 1088 . 16 1 1 A 87 87 PHE H H 87 8.132 7.978 0.154 1
1 1089 . 16 1 1 A 87 87 PHE HA H 87 3.906 4.347 -0.441 1
1 1096 . 16 1 1 A 87 87 PHE C C 87 176.627 178.227 -1.600 1
1 1097 . 16 1 1 A 87 87 PHE CA C 87 59.554 61.537 -1.983 1
1 1098 . 16 1 1 A 87 87 PHE CB C 87 38.017 38.524 -0.507 1
1 1099 . 16 1 1 A 87 87 PHE N N 87 121.649 117.323 4.326 1
1 1100 . 16 1 1 A 88 88 LEU H H 88 7.953 7.887 0.066 1
1 1101 . 16 1 1 A 88 88 LEU HA H 88 3.775 4.214 -0.439 1
1 1111 . 16 1 1 A 88 88 LEU C C 88 177.627 178.341 -0.714 1
1 1112 . 16 1 1 A 88 88 LEU CA C 88 55.078 56.576 -1.498 1
1 1113 . 16 1 1 A 88 88 LEU CB C 88 41.226 42.072 -0.846 1
1 1117 . 16 1 1 A 88 88 LEU N N 88 118.897 119.768 -0.871 1
1 1118 . 16 1 1 A 89 89 GLU H H 89 7.475 7.913 -0.438 1
1 1119 . 16 1 1 A 89 89 GLU HA H 89 3.914 4.168 -0.254 1
1 1124 . 16 1 1 A 89 89 GLU C C 89 176.127 178.258 -2.131 1
1 1125 . 16 1 1 A 89 89 GLU CA C 89 56.926 58.165 -1.239 1
1 1126 . 16 1 1 A 89 89 GLU CB C 89 28.567 29.741 -1.174 1
1 1128 . 16 1 1 A 89 89 GLU N N 89 119.332 119.789 -0.457 1
1 1129 . 16 1 1 A 90 90 ASP H H 90 7.750 7.977 -0.227 1
1 1130 . 16 1 1 A 90 90 ASP HA H 90 4.370 4.480 -0.110 1
1 1133 . 16 1 1 A 90 90 ASP C C 90 175.227 177.442 -2.215 1
1 1134 . 16 1 1 A 90 90 ASP CA C 90 53.593 56.501 -2.908 1
1 1135 . 16 1 1 A 90 90 ASP CB C 90 40.323 40.759 -0.436 1
1 1136 . 16 1 1 A 90 90 ASP N N 90 118.945 118.769 0.176 1
1 1137 . 16 1 1 A 91 91 ASN H H 91 7.681 7.567 0.114 1
1 1138 . 16 1 1 A 91 91 ASN HA H 91 4.495 4.961 -0.466 1
1 1143 . 16 1 1 A 91 91 ASN C C 91 173.027 174.601 -1.574 1
1 1144 . 16 1 1 A 91 91 ASN CA C 91 52.041 52.571 -0.530 1
1 1145 . 16 1 1 A 91 91 ASN CB C 91 38.072 36.481 1.591 1
1 1146 . 16 1 1 A 91 91 ASN N N 91 118.171 116.211 1.960 1
1 10 . 17 1 1 A 2 2 GLU H H 2 8.776 8.042 0.734 1
1 11 . 17 1 1 A 2 2 GLU HA H 2 4.535 4.003 0.532 1
1 16 . 17 1 1 A 2 2 GLU C C 2 175.627 175.339 0.288 1
1 17 . 17 1 1 A 2 2 GLU CA C 2 55.573 58.609 -3.036 1
1 18 . 17 1 1 A 2 2 GLU CB C 2 30.569 28.271 2.298 1
1 20 . 17 1 1 A 2 2 GLU N N 2 124.305 119.280 5.025 1
1 21 . 17 1 1 A 3 3 THR H H 3 8.835 8.309 0.526 1
1 22 . 17 1 1 A 3 3 THR HA H 3 4.608 4.788 -0.180 1
1 27 . 17 1 1 A 3 3 THR CA C 3 59.187 59.036 0.151 1
1 28 . 17 1 1 A 3 3 THR CB C 3 67.385 71.269 -3.884 1
1 30 . 17 1 1 A 3 3 THR N N 3 116.176 114.034 2.142 1
1 31 . 17 1 1 A 4 4 PRO HA H 4 4.158 4.450 -0.292 1
1 38 . 17 1 1 A 4 4 PRO C C 4 179.327 177.979 1.348 1
1 39 . 17 1 1 A 4 4 PRO CA C 4 65.040 64.472 0.568 1
1 40 . 17 1 1 A 4 4 PRO CB C 4 30.616 31.800 -1.184 1
1 43 . 17 1 1 A 5 5 LEU H H 5 8.794 7.602 1.192 1
1 44 . 17 1 1 A 5 5 LEU HA H 5 3.944 4.061 -0.117 1
1 54 . 17 1 1 A 5 5 LEU C C 5 177.327 178.314 -0.987 1
1 55 . 17 1 1 A 5 5 LEU CA C 5 56.920 57.073 -0.153 1
1 56 . 17 1 1 A 5 5 LEU CB C 5 41.139 42.457 -1.318 1
1 60 . 17 1 1 A 5 5 LEU N N 5 118.892 117.873 1.019 1
1 61 . 17 1 1 A 6 6 GLU H H 6 7.664 8.514 -0.850 1
1 62 . 17 1 1 A 6 6 GLU HA H 6 3.744 3.852 -0.108 1
1 67 . 17 1 1 A 6 6 GLU C C 6 178.827 178.873 -0.046 1
1 68 . 17 1 1 A 6 6 GLU CA C 6 59.347 60.161 -0.814 1
1 69 . 17 1 1 A 6 6 GLU CB C 6 28.700 29.248 -0.548 1
1 71 . 17 1 1 A 6 6 GLU N N 6 118.741 119.469 -0.728 1
1 72 . 17 1 1 A 7 7 LYS H H 7 8.435 7.992 0.443 1
1 73 . 17 1 1 A 7 7 LYS HA H 7 3.909 4.271 -0.362 1
1 82 . 17 1 1 A 7 7 LYS C C 7 178.527 179.316 -0.789 1
1 83 . 17 1 1 A 7 7 LYS CA C 7 58.539 59.067 -0.528 1
1 84 . 17 1 1 A 7 7 LYS CB C 7 31.217 32.096 -0.879 1
1 88 . 17 1 1 A 7 7 LYS N N 7 119.285 118.567 0.718 1
1 89 . 17 1 1 A 8 8 ALA H H 8 8.008 7.771 0.237 1
1 90 . 17 1 1 A 8 8 ALA HA H 8 4.038 4.028 0.010 1
1 94 . 17 1 1 A 8 8 ALA C C 8 178.327 179.919 -1.592 1
1 95 . 17 1 1 A 8 8 ALA CA C 8 54.356 55.225 -0.869 1
1 96 . 17 1 1 A 8 8 ALA CB C 8 17.509 18.704 -1.195 1
1 97 . 17 1 1 A 8 8 ALA N N 8 123.866 122.318 1.548 1
1 98 . 17 1 1 A 9 9 LEU H H 9 8.163 8.308 -0.145 1
1 99 . 17 1 1 A 9 9 LEU HA H 9 3.809 3.962 -0.153 1
1 109 . 17 1 1 A 9 9 LEU C C 9 178.527 179.614 -1.087 1
1 110 . 17 1 1 A 9 9 LEU CA C 9 57.256 57.975 -0.719 1
1 111 . 17 1 1 A 9 9 LEU CB C 9 40.483 41.780 -1.297 1
1 115 . 17 1 1 A 9 9 LEU N N 9 119.134 118.239 0.895 1
1 116 . 17 1 1 A 10 10 THR H H 10 8.186 8.095 0.091 1
1 117 . 17 1 1 A 10 10 THR HA H 10 3.741 4.114 -0.373 1
1 122 . 17 1 1 A 10 10 THR C C 10 176.727 177.439 -0.712 1
1 123 . 17 1 1 A 10 10 THR CA C 10 66.345 66.028 0.317 1
1 124 . 17 1 1 A 10 10 THR CB C 10 67.558 67.636 -0.078 1
1 126 . 17 1 1 A 10 10 THR N N 10 114.355 110.089 4.266 1
1 127 . 17 1 1 A 11 11 THR H H 11 8.387 8.183 0.204 1
1 128 . 17 1 1 A 11 11 THR HA H 11 3.963 3.943 0.020 1
1 133 . 17 1 1 A 11 11 THR C C 11 176.827 176.850 -0.023 1
1 134 . 17 1 1 A 11 11 THR CA C 11 65.801 66.823 -1.022 1
1 135 . 17 1 1 A 11 11 THR CB C 11 67.140 67.971 -0.831 1
1 137 . 17 1 1 A 11 11 THR N N 11 120.801 117.030 3.771 1
1 138 . 17 1 1 A 12 12 MET H H 12 8.299 8.487 -0.188 1
1 139 . 17 1 1 A 12 12 MET HA H 12 3.872 4.268 -0.396 1
1 147 . 17 1 1 A 12 12 MET C C 12 177.827 178.632 -0.805 1
1 148 . 17 1 1 A 12 12 MET CA C 12 59.263 58.072 1.191 1
1 149 . 17 1 1 A 12 12 MET CB C 12 31.845 32.565 -0.720 1
1 152 . 17 1 1 A 12 12 MET N N 12 124.102 118.602 5.500 1
1 153 . 17 1 1 A 13 13 VAL H H 13 7.820 8.212 -0.392 1
1 154 . 17 1 1 A 13 13 VAL HA H 13 3.937 4.176 -0.239 1
1 162 . 17 1 1 A 13 13 VAL C C 13 177.127 177.884 -0.757 1
1 163 . 17 1 1 A 13 13 VAL CA C 13 65.677 65.785 -0.108 1
1 164 . 17 1 1 A 13 13 VAL CB C 13 31.656 31.383 0.273 1
1 167 . 17 1 1 A 13 13 VAL N N 13 119.838 119.137 0.701 1
1 168 . 17 1 1 A 14 14 THR H H 14 9.107 8.218 0.889 1
1 169 . 17 1 1 A 14 14 THR HA H 14 3.654 4.045 -0.391 1
1 174 . 17 1 1 A 14 14 THR C C 14 177.527 176.592 0.935 1
1 175 . 17 1 1 A 14 14 THR CA C 14 65.273 66.270 -0.997 1
1 176 . 17 1 1 A 14 14 THR CB C 14 67.652 68.904 -1.252 1
1 178 . 17 1 1 A 14 14 THR N N 14 112.247 117.168 -4.921 1
1 179 . 17 1 1 A 15 15 THR H H 15 8.189 8.459 -0.270 1
1 180 . 17 1 1 A 15 15 THR HA H 15 3.864 4.235 -0.371 1
1 186 . 17 1 1 A 15 15 THR C C 15 173.627 176.868 -3.241 1
1 187 . 17 1 1 A 15 15 THR CA C 15 66.930 65.930 1.000 1
1 188 . 17 1 1 A 15 15 THR CB C 15 66.539 68.134 -1.595 1
1 190 . 17 1 1 A 15 15 THR N N 15 117.691 112.365 5.326 1
1 191 . 17 1 1 A 16 16 PHE H H 16 6.850 8.322 -1.472 1
1 192 . 17 1 1 A 16 16 PHE HA H 16 3.417 4.046 -0.629 1
1 199 . 17 1 1 A 16 16 PHE C C 16 175.627 177.278 -1.651 1
1 200 . 17 1 1 A 16 16 PHE CA C 16 61.577 61.472 0.105 1
1 201 . 17 1 1 A 16 16 PHE CB C 16 38.177 39.121 -0.944 1
1 202 . 17 1 1 A 16 16 PHE N N 16 120.169 123.825 -3.656 1
1 203 . 17 1 1 A 17 17 HIS H H 17 6.924 8.928 -2.004 1
1 204 . 17 1 1 A 17 17 HIS HA H 17 4.755 4.267 0.488 1
1 207 . 17 1 1 A 17 17 HIS C C 17 176.227 177.474 -1.247 1
1 208 . 17 1 1 A 17 17 HIS CA C 17 56.810 59.930 -3.120 1
1 209 . 17 1 1 A 17 17 HIS CB C 17 29.597 29.881 -0.284 1
1 210 . 17 1 1 A 17 17 HIS N N 17 115.499 117.317 -1.818 1
1 211 . 17 1 1 A 18 18 LYS H H 18 7.888 8.202 -0.314 1
1 212 . 17 1 1 A 18 18 LYS HA H 18 3.870 4.009 -0.139 1
1 221 . 17 1 1 A 18 18 LYS C C 18 176.927 177.985 -1.058 1
1 222 . 17 1 1 A 18 18 LYS CA C 18 57.897 58.737 -0.840 1
1 223 . 17 1 1 A 18 18 LYS CB C 18 31.582 32.220 -0.638 1
1 227 . 17 1 1 A 18 18 LYS N N 18 121.217 120.890 0.327 1
1 228 . 17 1 1 A 19 19 TYR H H 19 6.928 7.376 -0.448 1
1 229 . 17 1 1 A 19 19 TYR HA H 19 4.163 4.298 -0.135 1
1 234 . 17 1 1 A 19 19 TYR C C 19 175.027 178.410 -3.383 1
1 235 . 17 1 1 A 19 19 TYR CA C 19 59.335 60.101 -0.766 1
1 236 . 17 1 1 A 19 19 TYR CB C 19 39.515 39.256 0.259 1
1 237 . 17 1 1 A 19 19 TYR N N 19 114.488 118.409 -3.921 1
1 238 . 17 1 1 A 20 20 SER H H 20 8.021 8.662 -0.641 1
1 239 . 17 1 1 A 20 20 SER HA H 20 3.105 4.166 -1.061 1
1 242 . 17 1 1 A 20 20 SER C C 20 176.527 176.838 -0.311 1
1 243 . 17 1 1 A 20 20 SER CA C 20 60.457 61.115 -0.658 1
1 244 . 17 1 1 A 20 20 SER CB C 20 60.326 62.272 -1.946 1
1 245 . 17 1 1 A 20 20 SER N N 20 112.624 116.212 -3.588 1
1 246 . 17 1 1 A 21 21 GLY H H 21 7.908 8.299 -0.391 1
1 247 . 17 1 1 A 21 21 GLY HA2 H 21 4.197 3.882 0.315 1
1 248 . 17 1 1 A 21 21 GLY HA3 H 21 3.761 3.903 -0.142 1
1 249 . 17 1 1 A 21 21 GLY C C 21 173.027 174.372 -1.345 1
1 250 . 17 1 1 A 21 21 GLY CA C 21 44.357 45.477 -1.120 1
1 251 . 17 1 1 A 21 21 GLY N N 21 112.095 109.130 2.965 1
1 252 . 17 1 1 A 22 22 ARG H H 22 7.470 7.596 -0.126 1
1 253 . 17 1 1 A 22 22 ARG HA H 22 3.956 4.372 -0.416 1
1 260 . 17 1 1 A 22 22 ARG C C 22 176.327 175.065 1.262 1
1 261 . 17 1 1 A 22 22 ARG CA C 22 58.189 55.349 2.840 1
1 262 . 17 1 1 A 22 22 ARG CB C 22 29.483 28.710 0.773 1
1 265 . 17 1 1 A 22 22 ARG N N 22 122.481 119.332 3.149 1
1 266 . 17 1 1 A 23 23 GLU H H 23 9.412 8.091 1.321 1
1 267 . 17 1 1 A 23 23 GLU HA H 23 4.626 4.426 0.200 1
1 272 . 17 1 1 A 23 23 GLU C C 23 175.027 175.895 -0.868 1
1 273 . 17 1 1 A 23 23 GLU CA C 23 53.319 56.794 -3.475 1
1 274 . 17 1 1 A 23 23 GLU CB C 23 32.032 31.475 0.557 1
1 276 . 17 1 1 A 23 23 GLU N N 23 116.123 117.240 -1.117 1
1 277 . 17 1 1 A 24 24 GLY H H 24 9.080 8.504 0.576 1
1 278 . 17 1 1 A 24 24 GLY HA2 H 24 3.694 3.863 -0.169 1
1 279 . 17 1 1 A 24 24 GLY HA3 H 24 3.878 3.920 -0.042 1
1 280 . 17 1 1 A 24 24 GLY C C 24 172.827 173.700 -0.873 1
1 281 . 17 1 1 A 24 24 GLY CA C 24 44.707 44.887 -0.180 1
1 282 . 17 1 1 A 24 24 GLY N N 24 114.015 113.251 0.764 1
1 283 . 17 1 1 A 25 25 SER H H 25 8.465 8.474 -0.009 1
1 284 . 17 1 1 A 25 25 SER HA H 25 4.312 4.598 -0.286 1
1 287 . 17 1 1 A 25 25 SER C C 25 178.027 175.691 2.336 1
1 288 . 17 1 1 A 25 25 SER CA C 25 57.478 57.511 -0.033 1
1 289 . 17 1 1 A 25 25 SER CB C 25 61.941 63.783 -1.842 1
1 290 . 17 1 1 A 25 25 SER N N 25 117.299 118.255 -0.956 1
1 291 . 17 1 1 A 26 26 LYS H H 26 9.532 8.904 0.628 1
1 292 . 17 1 1 A 26 26 LYS HA H 26 4.660 3.849 0.811 1
1 301 . 17 1 1 A 26 26 LYS C C 26 176.127 177.888 -1.761 1
1 302 . 17 1 1 A 26 26 LYS CA C 26 56.928 58.741 -1.813 1
1 303 . 17 1 1 A 26 26 LYS CB C 26 30.526 32.165 -1.639 1
1 307 . 17 1 1 A 26 26 LYS N N 26 131.209 127.121 4.088 1
1 308 . 17 1 1 A 27 27 LEU H H 27 8.643 7.619 1.024 1
1 309 . 17 1 1 A 27 27 LEU HA H 27 4.583 4.499 0.084 1
1 319 . 17 1 1 A 27 27 LEU C C 27 174.827 176.385 -1.558 1
1 320 . 17 1 1 A 27 27 LEU CA C 27 53.205 56.628 -3.423 1
1 321 . 17 1 1 A 27 27 LEU CB C 27 41.824 42.895 -1.071 1
1 325 . 17 1 1 A 27 27 LEU N N 27 118.729 120.422 -1.693 1
1 326 . 17 1 1 A 28 28 THR H H 28 7.037 7.131 -0.094 1
1 327 . 17 1 1 A 28 28 THR HA H 28 5.168 5.197 -0.029 1
1 332 . 17 1 1 A 28 28 THR C C 28 172.727 172.585 0.142 1
1 333 . 17 1 1 A 28 28 THR CA C 28 57.915 59.699 -1.784 1
1 334 . 17 1 1 A 28 28 THR CB C 28 71.934 71.869 0.065 1
1 336 . 17 1 1 A 28 28 THR N N 28 104.663 109.314 -4.651 1
1 337 . 17 1 1 A 29 29 LEU H H 29 9.517 9.201 0.316 1
1 338 . 17 1 1 A 29 29 LEU HA H 29 5.196 4.790 0.406 1
1 348 . 17 1 1 A 29 29 LEU C C 29 175.527 177.118 -1.591 1
1 349 . 17 1 1 A 29 29 LEU CA C 29 51.653 53.351 -1.698 1
1 350 . 17 1 1 A 29 29 LEU CB C 29 42.301 42.991 -0.690 1
1 354 . 17 1 1 A 29 29 LEU N N 29 125.388 125.718 -0.330 1
1 355 . 17 1 1 A 30 30 SER H H 30 10.053 9.014 1.039 1
1 356 . 17 1 1 A 30 30 SER HA H 30 4.475 4.738 -0.263 1
1 359 . 17 1 1 A 30 30 SER C C 30 173.427 176.005 -2.578 1
1 360 . 17 1 1 A 30 30 SER CA C 30 55.011 57.016 -2.005 1
1 361 . 17 1 1 A 30 30 SER CB C 30 64.446 65.475 -1.029 1
1 362 . 17 1 1 A 30 30 SER N N 30 121.114 119.947 1.167 1
1 363 . 17 1 1 A 31 31 ARG H H 31 8.992 8.758 0.234 1
1 364 . 17 1 1 A 31 31 ARG HA H 31 3.923 3.968 -0.045 1
1 371 . 17 1 1 A 31 31 ARG C C 31 177.027 177.276 -0.249 1
1 372 . 17 1 1 A 31 31 ARG CA C 31 59.408 59.437 -0.029 1
1 373 . 17 1 1 A 31 31 ARG CB C 31 29.041 29.901 -0.860 1
1 376 . 17 1 1 A 31 31 ARG N N 31 120.513 120.683 -0.170 1
1 377 . 17 1 1 A 32 32 LYS H H 32 7.845 8.002 -0.157 1
1 378 . 17 1 1 A 32 32 LYS HA H 32 3.826 4.384 -0.558 1
1 387 . 17 1 1 A 32 32 LYS C C 32 178.927 178.740 0.187 1
1 388 . 17 1 1 A 32 32 LYS CA C 32 58.677 57.288 1.389 1
1 389 . 17 1 1 A 32 32 LYS CB C 32 31.964 33.373 -1.409 1
1 393 . 17 1 1 A 32 32 LYS N N 32 117.011 117.556 -0.545 1
1 394 . 17 1 1 A 33 33 GLU H H 33 7.612 7.866 -0.254 1
1 395 . 17 1 1 A 33 33 GLU HA H 33 3.954 4.196 -0.242 1
1 400 . 17 1 1 A 33 33 GLU C C 33 177.227 178.660 -1.433 1
1 401 . 17 1 1 A 33 33 GLU CA C 33 58.289 58.901 -0.612 1
1 402 . 17 1 1 A 33 33 GLU CB C 33 29.757 29.381 0.376 1
1 404 . 17 1 1 A 33 33 GLU N N 33 120.815 120.131 0.684 1
1 405 . 17 1 1 A 34 34 LEU H H 34 8.694 8.225 0.469 1
1 406 . 17 1 1 A 34 34 LEU HA H 34 3.811 3.944 -0.133 1
1 416 . 17 1 1 A 34 34 LEU C C 34 176.927 178.317 -1.390 1
1 417 . 17 1 1 A 34 34 LEU CA C 34 57.025 57.568 -0.543 1
1 418 . 17 1 1 A 34 34 LEU CB C 34 40.638 41.394 -0.756 1
1 422 . 17 1 1 A 34 34 LEU N N 34 119.291 120.688 -1.397 1
1 423 . 17 1 1 A 35 35 LYS H H 35 8.114 8.454 -0.340 1
1 424 . 17 1 1 A 35 35 LYS HA H 35 3.569 4.042 -0.473 1
1 433 . 17 1 1 A 35 35 LYS C C 35 177.027 178.327 -1.300 1
1 434 . 17 1 1 A 35 35 LYS CA C 35 59.419 58.340 1.079 1
1 435 . 17 1 1 A 35 35 LYS CB C 35 31.271 31.230 0.041 1
1 439 . 17 1 1 A 35 35 LYS N N 35 117.277 117.524 -0.247 1
1 440 . 17 1 1 A 36 36 GLU H H 36 7.560 7.743 -0.183 1
1 441 . 17 1 1 A 36 36 GLU HA H 36 3.845 4.227 -0.382 1
1 446 . 17 1 1 A 36 36 GLU C C 36 175.827 178.662 -2.835 1
1 447 . 17 1 1 A 36 36 GLU CA C 36 58.190 58.471 -0.281 1
1 448 . 17 1 1 A 36 36 GLU CB C 36 28.253 29.954 -1.701 1
1 450 . 17 1 1 A 36 36 GLU N N 36 119.302 119.469 -0.167 1
1 451 . 17 1 1 A 37 37 LEU H H 37 7.682 7.515 0.167 1
1 452 . 17 1 1 A 37 37 LEU HA H 37 2.280 3.711 -1.431 1
1 462 . 17 1 1 A 37 37 LEU C C 37 178.327 178.542 -0.215 1
1 463 . 17 1 1 A 37 37 LEU CA C 37 58.225 58.270 -0.045 1
1 464 . 17 1 1 A 37 37 LEU CB C 37 41.090 41.223 -0.133 1
1 468 . 17 1 1 A 37 37 LEU N N 37 121.690 120.941 0.749 1
1 469 . 17 1 1 A 38 38 ILE H H 38 8.157 7.761 0.396 1
1 470 . 17 1 1 A 38 38 ILE HA H 38 3.292 3.683 -0.391 1
1 480 . 17 1 1 A 38 38 ILE C C 38 177.027 177.877 -0.850 1
1 481 . 17 1 1 A 38 38 ILE CA C 38 65.007 65.506 -0.499 1
1 482 . 17 1 1 A 38 38 ILE CB C 38 37.187 37.929 -0.742 1
1 486 . 17 1 1 A 38 38 ILE N N 38 117.626 120.089 -2.463 1
1 487 . 17 1 1 A 39 39 LYS H H 39 8.068 8.029 0.039 1
1 488 . 17 1 1 A 39 39 LYS HA H 39 3.876 4.138 -0.262 1
1 497 . 17 1 1 A 39 39 LYS C C 39 177.927 178.099 -0.172 1
1 498 . 17 1 1 A 39 39 LYS CA C 39 58.204 58.554 -0.350 1
1 499 . 17 1 1 A 39 39 LYS CB C 39 31.731 32.402 -0.671 1
1 503 . 17 1 1 A 39 39 LYS N N 39 117.909 120.605 -2.696 1
1 504 . 17 1 1 A 40 40 LYS H H 40 8.094 7.648 0.446 1
1 505 . 17 1 1 A 40 40 LYS HA H 40 4.248 4.296 -0.048 1
1 514 . 17 1 1 A 40 40 LYS C C 40 178.227 178.802 -0.575 1
1 515 . 17 1 1 A 40 40 LYS CA C 40 56.291 57.888 -1.597 1
1 516 . 17 1 1 A 40 40 LYS CB C 40 32.652 33.135 -0.483 1
1 520 . 17 1 1 A 40 40 LYS N N 40 114.323 117.677 -3.354 1
1 521 . 17 1 1 A 41 41 GLU H H 41 8.381 8.074 0.307 1
1 522 . 17 1 1 A 41 41 GLU HA H 41 4.744 4.107 0.637 1
1 527 . 17 1 1 A 41 41 GLU C C 41 176.227 178.737 -2.510 1
1 528 . 17 1 1 A 41 41 GLU CA C 41 55.054 59.119 -4.065 1
1 529 . 17 1 1 A 41 41 GLU CB C 41 29.598 29.662 -0.064 1
1 531 . 17 1 1 A 41 41 GLU N N 41 113.079 120.180 -7.101 1
1 532 . 17 1 1 A 42 42 LEU H H 42 7.544 8.409 -0.865 1
1 533 . 17 1 1 A 42 42 LEU HA H 42 4.754 4.338 0.416 1
1 542 . 17 1 1 A 42 42 LEU CA C 42 52.564 55.302 -2.738 1
1 543 . 17 1 1 A 42 42 LEU CB C 42 43.848 41.178 2.670 1
1 546 . 17 1 1 A 42 42 LEU N N 42 118.458 119.679 -1.221 1
1 547 . 17 1 1 A 43 43 CYS H H 43 8.342 8.113 0.229 1
1 548 . 17 1 1 A 43 43 CYS HA H 43 4.486 4.401 0.085 1
1 551 . 17 1 1 A 43 43 CYS C C 43 174.327 175.957 -1.630 1
1 552 . 17 1 1 A 43 43 CYS CA C 43 57.655 60.490 -2.835 1
1 553 . 17 1 1 A 43 43 CYS CB C 43 25.653 27.180 -1.527 1
1 554 . 17 1 1 A 44 44 LEU H H 44 8.123 7.730 0.393 1
1 555 . 17 1 1 A 44 44 LEU HA H 44 4.339 4.302 0.037 1
1 565 . 17 1 1 A 44 44 LEU C C 44 176.927 177.306 -0.379 1
1 566 . 17 1 1 A 44 44 LEU CA C 44 53.750 54.950 -1.200 1
1 567 . 17 1 1 A 44 44 LEU CB C 44 40.784 42.122 -1.338 1
1 571 . 17 1 1 A 44 44 LEU N N 44 121.974 117.858 4.116 1
1 572 . 17 1 1 A 45 45 GLY H H 45 8.072 7.597 0.475 1
1 573 . 17 1 1 A 45 45 GLY HA2 H 45 3.889 3.967 -0.078 1
1 574 . 17 1 1 A 45 45 GLY HA3 H 45 3.698 4.076 -0.378 1
1 575 . 17 1 1 A 45 45 GLY C C 45 173.127 173.933 -0.806 1
1 576 . 17 1 1 A 45 45 GLY CA C 45 44.291 45.078 -0.787 1
1 577 . 17 1 1 A 45 45 GLY N N 45 107.819 108.503 -0.684 1
1 578 . 17 1 1 A 46 46 GLU H H 46 8.472 8.005 0.467 1
1 579 . 17 1 1 A 46 46 GLU HA H 46 4.048 4.841 -0.793 1
1 584 . 17 1 1 A 46 46 GLU C C 46 175.727 175.621 0.106 1
1 585 . 17 1 1 A 46 46 GLU CA C 46 56.461 54.968 1.493 1
1 586 . 17 1 1 A 46 46 GLU CB C 46 28.208 32.146 -3.938 1
1 588 . 17 1 1 A 46 46 GLU N N 46 120.563 119.333 1.230 1
1 589 . 17 1 1 A 47 47 MET H H 47 8.189 8.726 -0.537 1
1 590 . 17 1 1 A 47 47 MET HA H 47 4.413 4.105 0.308 1
1 598 . 17 1 1 A 47 47 MET C C 47 175.027 175.471 -0.444 1
1 599 . 17 1 1 A 47 47 MET CA C 47 53.905 56.694 -2.789 1
1 600 . 17 1 1 A 47 47 MET CB C 47 32.611 31.007 1.604 1
1 603 . 17 1 1 A 47 47 MET N N 47 123.201 116.927 6.274 1
1 604 . 17 1 1 A 48 48 LYS H H 48 8.355 7.932 0.423 1
1 605 . 17 1 1 A 48 48 LYS HA H 48 4.237 4.322 -0.085 1
1 614 . 17 1 1 A 48 48 LYS C C 48 177.027 177.862 -0.835 1
1 615 . 17 1 1 A 48 48 LYS CA C 48 55.443 56.754 -1.311 1
1 616 . 17 1 1 A 48 48 LYS CB C 48 32.173 32.883 -0.710 1
1 620 . 17 1 1 A 48 48 LYS N N 48 123.046 119.111 3.935 1
1 621 . 17 1 1 A 49 49 GLU H H 49 8.742 8.922 -0.180 1
1 622 . 17 1 1 A 49 49 GLU HA H 49 3.884 3.983 -0.099 1
1 627 . 17 1 1 A 49 49 GLU C C 49 177.727 178.793 -1.066 1
1 628 . 17 1 1 A 49 49 GLU CA C 49 58.534 59.939 -1.405 1
1 629 . 17 1 1 A 49 49 GLU CB C 49 27.870 29.335 -1.465 1
1 631 . 17 1 1 A 49 49 GLU N N 49 122.407 122.125 0.282 1
1 632 . 17 1 1 A 50 50 SER H H 50 8.324 8.090 0.234 1
1 633 . 17 1 1 A 50 50 SER HA H 50 4.188 4.245 -0.057 1
1 636 . 17 1 1 A 50 50 SER C C 50 175.427 175.326 0.101 1
1 637 . 17 1 1 A 50 50 SER CA C 50 59.402 60.968 -1.566 1
1 638 . 17 1 1 A 50 50 SER CB C 50 61.442 62.803 -1.361 1
1 639 . 17 1 1 A 50 50 SER N N 50 112.475 115.775 -3.300 1
1 640 . 17 1 1 A 51 51 SER H H 51 7.400 8.272 -0.872 1
1 641 . 17 1 1 A 51 51 SER HA H 51 3.926 4.505 -0.579 1
1 644 . 17 1 1 A 51 51 SER C C 51 176.027 175.251 0.776 1
1 645 . 17 1 1 A 51 51 SER CA C 51 59.762 59.592 0.170 1
1 646 . 17 1 1 A 51 51 SER CB C 51 60.955 63.776 -2.821 1
1 647 . 17 1 1 A 51 51 SER N N 51 118.432 115.105 3.327 1
1 648 . 17 1 1 A 52 52 ILE H H 52 7.790 8.116 -0.326 1
1 649 . 17 1 1 A 52 52 ILE HA H 52 3.642 3.881 -0.239 1
1 659 . 17 1 1 A 52 52 ILE C C 52 176.427 177.984 -1.557 1
1 660 . 17 1 1 A 52 52 ILE CA C 52 61.984 63.828 -1.844 1
1 661 . 17 1 1 A 52 52 ILE CB C 52 34.990 37.454 -2.464 1
1 665 . 17 1 1 A 52 52 ILE N N 52 123.838 120.135 3.703 1
1 666 . 17 1 1 A 53 53 ASP H H 53 8.092 8.137 -0.045 1
1 667 . 17 1 1 A 53 53 ASP HA H 53 4.225 4.406 -0.181 1
1 670 . 17 1 1 A 53 53 ASP C C 53 178.227 178.499 -0.272 1
1 671 . 17 1 1 A 53 53 ASP CA C 53 56.606 57.095 -0.489 1
1 672 . 17 1 1 A 53 53 ASP CB C 53 39.034 40.082 -1.048 1
1 673 . 17 1 1 A 53 53 ASP N N 53 121.313 121.376 -0.063 1
1 674 . 17 1 1 A 54 54 ASP H H 54 7.811 8.165 -0.354 1
1 675 . 17 1 1 A 54 54 ASP HA H 54 4.253 4.392 -0.139 1
1 678 . 17 1 1 A 54 54 ASP C C 54 177.927 178.329 -0.402 1
1 679 . 17 1 1 A 54 54 ASP CA C 54 56.467 57.431 -0.964 1
1 680 . 17 1 1 A 54 54 ASP CB C 54 39.401 41.124 -1.723 1
1 681 . 17 1 1 A 54 54 ASP N N 54 120.122 119.576 0.546 1
1 682 . 17 1 1 A 55 55 LEU H H 55 7.789 7.955 -0.166 1
1 683 . 17 1 1 A 55 55 LEU HA H 55 3.979 4.104 -0.125 1
1 693 . 17 1 1 A 55 55 LEU C C 55 178.027 178.320 -0.293 1
1 694 . 17 1 1 A 55 55 LEU CA C 55 56.713 58.050 -1.337 1
1 695 . 17 1 1 A 55 55 LEU CB C 55 40.799 41.279 -0.480 1
1 699 . 17 1 1 A 55 55 LEU N N 55 122.944 121.161 1.783 1
1 700 . 17 1 1 A 56 56 MET H H 56 8.601 8.888 -0.287 1
1 701 . 17 1 1 A 56 56 MET HA H 56 3.827 4.087 -0.260 1
1 709 . 17 1 1 A 56 56 MET C C 56 177.027 178.049 -1.022 1
1 710 . 17 1 1 A 56 56 MET CA C 56 57.116 58.252 -1.136 1
1 711 . 17 1 1 A 56 56 MET CB C 56 29.825 31.479 -1.654 1
1 714 . 17 1 1 A 56 56 MET N N 56 117.863 119.609 -1.746 1
1 715 . 17 1 1 A 57 57 LYS H H 57 7.693 8.050 -0.357 1
1 716 . 17 1 1 A 57 57 LYS HA H 57 3.954 4.013 -0.059 1
1 725 . 17 1 1 A 57 57 LYS C C 57 178.127 178.436 -0.309 1
1 726 . 17 1 1 A 57 57 LYS CA C 57 58.352 59.182 -0.830 1
1 727 . 17 1 1 A 57 57 LYS CB C 57 31.315 32.226 -0.911 1
1 731 . 17 1 1 A 57 57 LYS N N 57 116.455 120.100 -3.645 1
1 732 . 17 1 1 A 58 58 SER H H 58 7.661 8.134 -0.473 1
1 733 . 17 1 1 A 58 58 SER HA H 58 4.115 4.313 -0.198 1
1 736 . 17 1 1 A 58 58 SER C C 58 174.827 176.994 -2.167 1
1 737 . 17 1 1 A 58 58 SER CA C 58 59.986 61.901 -1.915 1
1 738 . 17 1 1 A 58 58 SER CB C 58 62.464 63.207 -0.743 1
1 739 . 17 1 1 A 58 58 SER N N 58 113.020 117.271 -4.251 1
1 740 . 17 1 1 A 59 59 LEU H H 59 7.917 8.575 -0.658 1
1 741 . 17 1 1 A 59 59 LEU HA H 59 4.269 4.111 0.158 1
1 751 . 17 1 1 A 59 59 LEU C C 59 177.627 178.211 -0.584 1
1 752 . 17 1 1 A 59 59 LEU CA C 59 54.402 57.801 -3.399 1
1 753 . 17 1 1 A 59 59 LEU CB C 59 43.731 41.366 2.365 1
1 757 . 17 1 1 A 59 59 LEU N N 59 117.463 121.391 -3.928 1
1 758 . 17 1 1 A 60 60 ASP H H 60 8.025 8.336 -0.311 1
1 759 . 17 1 1 A 60 60 ASP HA H 60 4.566 5.028 -0.462 1
1 762 . 17 1 1 A 60 60 ASP C C 60 176.627 176.389 0.238 1
1 763 . 17 1 1 A 60 60 ASP CA C 60 52.335 52.742 -0.407 1
1 764 . 17 1 1 A 60 60 ASP CB C 60 38.139 38.974 -0.835 1
1 765 . 17 1 1 A 60 60 ASP N N 60 117.588 117.358 0.230 1
1 766 . 17 1 1 A 61 61 LYS H H 61 8.100 8.425 -0.325 1
1 767 . 17 1 1 A 61 61 LYS HA H 61 4.035 4.309 -0.274 1
1 776 . 17 1 1 A 61 61 LYS C C 61 176.727 177.654 -0.927 1
1 777 . 17 1 1 A 61 61 LYS CA C 61 56.887 58.077 -1.190 1
1 778 . 17 1 1 A 61 61 LYS CB C 61 31.653 32.764 -1.111 1
1 782 . 17 1 1 A 61 61 LYS N N 61 126.943 126.096 0.847 1
1 783 . 17 1 1 A 62 62 ASN H H 62 7.864 7.970 -0.106 1
1 784 . 17 1 1 A 62 62 ASN HA H 62 4.759 4.716 0.043 1
1 789 . 17 1 1 A 62 62 ASN C C 62 173.727 175.596 -1.869 1
1 790 . 17 1 1 A 62 62 ASN CA C 62 50.660 51.906 -1.246 1
1 791 . 17 1 1 A 62 62 ASN CB C 62 35.920 38.161 -2.241 1
1 792 . 17 1 1 A 62 62 ASN N N 62 113.588 114.120 -0.532 1
1 794 . 17 1 1 A 63 63 SER H H 63 7.613 8.339 -0.726 1
1 795 . 17 1 1 A 63 63 SER HA H 63 3.962 4.297 -0.335 1
1 798 . 17 1 1 A 63 63 SER C C 63 172.927 174.501 -1.574 1
1 799 . 17 1 1 A 63 63 SER CA C 63 58.262 59.111 -0.849 1
1 800 . 17 1 1 A 63 63 SER CB C 63 60.708 61.510 -0.802 1
1 801 . 17 1 1 A 63 63 SER N N 63 111.592 114.403 -2.811 1
1 802 . 17 1 1 A 64 64 ASP H H 64 8.217 8.548 -0.331 1
1 803 . 17 1 1 A 64 64 ASP HA H 64 4.653 4.913 -0.260 1
1 806 . 17 1 1 A 64 64 ASP C C 64 175.927 175.980 -0.053 1
1 807 . 17 1 1 A 64 64 ASP CA C 64 51.641 54.870 -3.229 1
1 808 . 17 1 1 A 64 64 ASP CB C 64 39.385 41.192 -1.807 1
1 809 . 17 1 1 A 64 64 ASP N N 64 118.913 118.864 0.049 1
1 810 . 17 1 1 A 65 65 GLN H H 65 10.239 8.021 2.218 1
1 811 . 17 1 1 A 65 65 GLN HA H 65 3.356 4.527 -1.171 1
1 818 . 17 1 1 A 65 65 GLN C C 65 172.627 174.945 -2.318 1
1 819 . 17 1 1 A 65 65 GLN CA C 65 56.325 56.239 0.086 1
1 820 . 17 1 1 A 65 65 GLN CB C 65 24.910 31.023 -6.113 1
1 822 . 17 1 1 A 65 65 GLN N N 65 114.908 115.797 -0.889 1
1 824 . 17 1 1 A 66 66 GLU H H 66 7.710 8.294 -0.584 1
1 825 . 17 1 1 A 66 66 GLU HA H 66 4.691 4.803 -0.112 1
1 830 . 17 1 1 A 66 66 GLU C C 66 174.127 175.203 -1.076 1
1 831 . 17 1 1 A 66 66 GLU CA C 66 52.987 54.840 -1.853 1
1 832 . 17 1 1 A 66 66 GLU CB C 66 32.433 33.667 -1.234 1
1 834 . 17 1 1 A 66 66 GLU N N 66 115.721 118.528 -2.807 1
1 835 . 17 1 1 A 67 67 ILE H H 67 9.938 9.337 0.601 1
1 836 . 17 1 1 A 67 67 ILE HA H 67 5.291 4.649 0.642 1
1 846 . 17 1 1 A 67 67 ILE C C 67 175.627 175.216 0.411 1
1 847 . 17 1 1 A 67 67 ILE CA C 67 56.241 60.438 -4.197 1
1 848 . 17 1 1 A 67 67 ILE CB C 67 35.492 37.989 -2.497 1
1 852 . 17 1 1 A 67 67 ILE N N 67 125.901 122.373 3.528 1
1 853 . 17 1 1 A 68 68 ASP H H 68 8.794 8.958 -0.164 1
1 854 . 17 1 1 A 68 68 ASP HA H 68 5.002 4.926 0.076 1
1 857 . 17 1 1 A 68 68 ASP C C 68 174.427 177.915 -3.488 1
1 858 . 17 1 1 A 68 68 ASP CA C 68 51.563 54.432 -2.869 1
1 859 . 17 1 1 A 68 68 ASP CB C 68 40.493 42.159 -1.666 1
1 860 . 17 1 1 A 68 68 ASP N N 68 127.844 127.938 -0.094 1
1 861 . 17 1 1 A 69 69 PHE H H 69 9.068 8.773 0.295 1
1 862 . 17 1 1 A 69 69 PHE HA H 69 3.130 3.943 -0.813 1
1 869 . 17 1 1 A 69 69 PHE C C 69 176.827 177.355 -0.528 1
1 870 . 17 1 1 A 69 69 PHE CA C 69 62.478 62.165 0.313 1
1 871 . 17 1 1 A 69 69 PHE CB C 69 38.096 39.699 -1.603 1
1 872 . 17 1 1 A 69 69 PHE N N 69 118.955 123.165 -4.210 1
1 873 . 17 1 1 A 70 70 LYS H H 70 8.123 8.156 -0.033 1
1 874 . 17 1 1 A 70 70 LYS HA H 70 3.871 4.053 -0.182 1
1 883 . 17 1 1 A 70 70 LYS C C 70 179.527 179.348 0.179 1
1 884 . 17 1 1 A 70 70 LYS CA C 70 59.457 59.684 -0.227 1
1 885 . 17 1 1 A 70 70 LYS CB C 70 30.772 31.975 -1.203 1
1 889 . 17 1 1 A 70 70 LYS N N 70 120.287 118.552 1.735 1
1 890 . 17 1 1 A 71 71 GLU H H 71 8.746 7.969 0.777 1
1 891 . 17 1 1 A 71 71 GLU HA H 71 4.099 4.082 0.017 1
1 896 . 17 1 1 A 71 71 GLU C C 71 179.127 178.827 0.300 1
1 897 . 17 1 1 A 71 71 GLU CA C 71 57.934 59.055 -1.121 1
1 898 . 17 1 1 A 71 71 GLU CB C 71 29.266 29.593 -0.327 1
1 900 . 17 1 1 A 71 71 GLU N N 71 122.207 119.056 3.151 1
1 901 . 17 1 1 A 72 72 TYR H H 72 8.879 8.434 0.445 1
1 902 . 17 1 1 A 72 72 TYR HA H 72 4.010 4.158 -0.148 1
1 909 . 17 1 1 A 72 72 TYR C C 72 175.927 178.117 -2.190 1
1 910 . 17 1 1 A 72 72 TYR CA C 72 58.551 61.759 -3.208 1
1 911 . 17 1 1 A 72 72 TYR CB C 72 38.072 38.806 -0.734 1
1 912 . 17 1 1 A 72 72 TYR N N 72 121.813 122.043 -0.230 1
1 913 . 17 1 1 A 73 73 SER H H 73 8.414 8.503 -0.089 1
1 914 . 17 1 1 A 73 73 SER HA H 73 3.462 3.966 -0.504 1
1 917 . 17 1 1 A 73 73 SER C C 73 175.127 176.738 -1.611 1
1 918 . 17 1 1 A 73 73 SER CA C 73 61.876 61.169 0.707 1
1 919 . 17 1 1 A 73 73 SER CB C 73 61.327 62.800 -1.473 1
1 920 . 17 1 1 A 73 73 SER N N 73 117.840 114.215 3.625 1
1 921 . 17 1 1 A 74 74 VAL H H 74 7.363 8.241 -0.878 1
1 922 . 17 1 1 A 74 74 VAL HA H 74 3.584 3.684 -0.100 1
1 930 . 17 1 1 A 74 74 VAL C C 74 178.027 178.221 -0.194 1
1 931 . 17 1 1 A 74 74 VAL CA C 74 65.397 66.104 -0.707 1
1 932 . 17 1 1 A 74 74 VAL CB C 74 30.300 31.520 -1.220 1
1 935 . 17 1 1 A 74 74 VAL N N 74 123.439 122.459 0.980 1
1 936 . 17 1 1 A 75 75 PHE H H 75 7.282 7.946 -0.664 1
1 937 . 17 1 1 A 75 75 PHE HA H 75 4.562 4.004 0.558 1
1 945 . 17 1 1 A 75 75 PHE C C 75 176.127 176.937 -0.810 1
1 946 . 17 1 1 A 75 75 PHE CA C 75 57.851 61.147 -3.296 1
1 947 . 17 1 1 A 75 75 PHE CB C 75 36.863 38.908 -2.045 1
1 948 . 17 1 1 A 75 75 PHE N N 75 122.766 121.014 1.752 1
1 949 . 17 1 1 A 76 76 LEU H H 76 7.823 7.917 -0.094 1
1 950 . 17 1 1 A 76 76 LEU HA H 76 3.445 3.590 -0.145 1
1 960 . 17 1 1 A 76 76 LEU C C 76 178.927 179.535 -0.608 1
1 961 . 17 1 1 A 76 76 LEU CA C 76 56.891 57.389 -0.498 1
1 962 . 17 1 1 A 76 76 LEU CB C 76 39.917 40.514 -0.597 1
1 966 . 17 1 1 A 76 76 LEU N N 76 115.619 118.516 -2.897 1
1 967 . 17 1 1 A 77 77 THR H H 77 7.858 7.870 -0.012 1
1 968 . 17 1 1 A 77 77 THR HA H 77 3.665 3.805 -0.140 1
1 974 . 17 1 1 A 77 77 THR C C 77 175.427 176.702 -1.275 1
1 975 . 17 1 1 A 77 77 THR CA C 77 66.127 66.433 -0.306 1
1 976 . 17 1 1 A 77 77 THR CB C 77 67.585 68.429 -0.844 1
1 978 . 17 1 1 A 77 77 THR N N 77 113.417 115.310 -1.893 1
1 979 . 17 1 1 A 78 78 MET H H 78 7.970 8.369 -0.399 1
1 980 . 17 1 1 A 78 78 MET HA H 78 3.935 4.006 -0.071 1
1 988 . 17 1 1 A 78 78 MET C C 78 179.127 178.731 0.396 1
1 989 . 17 1 1 A 78 78 MET CA C 78 58.780 58.953 -0.173 1
1 990 . 17 1 1 A 78 78 MET CB C 78 31.501 32.578 -1.077 1
1 993 . 17 1 1 A 78 78 MET N N 78 122.745 118.281 4.464 1
1 994 . 17 1 1 A 79 79 LEU H H 79 7.898 8.154 -0.256 1
1 995 . 17 1 1 A 79 79 LEU HA H 79 3.870 3.994 -0.124 1
1 1005 . 17 1 1 A 79 79 LEU C C 79 178.427 178.380 0.047 1
1 1006 . 17 1 1 A 79 79 LEU CA C 79 56.843 57.847 -1.004 1
1 1007 . 17 1 1 A 79 79 LEU CB C 79 41.099 41.515 -0.416 1
1 1011 . 17 1 1 A 79 79 LEU N N 79 120.989 119.480 1.509 1
1 1012 . 17 1 1 A 80 80 CYS H H 80 8.400 8.277 0.123 1
1 1013 . 17 1 1 A 80 80 CYS HA H 80 3.830 3.989 -0.159 1
1 1017 . 17 1 1 A 80 80 CYS C C 80 175.927 177.182 -1.255 1
1 1018 . 17 1 1 A 80 80 CYS CA C 80 64.044 62.624 1.420 1
1 1019 . 17 1 1 A 80 80 CYS CB C 80 25.626 27.397 -1.771 1
1 1020 . 17 1 1 A 80 80 CYS N N 80 117.746 118.303 -0.557 1
1 1021 . 17 1 1 A 81 81 MET H H 81 8.295 8.638 -0.343 1
1 1022 . 17 1 1 A 81 81 MET HA H 81 4.023 4.135 -0.112 1
1 1030 . 17 1 1 A 81 81 MET C C 81 177.327 178.054 -0.727 1
1 1031 . 17 1 1 A 81 81 MET CA C 81 57.601 58.983 -1.382 1
1 1032 . 17 1 1 A 81 81 MET CB C 81 30.668 32.748 -2.080 1
1 1035 . 17 1 1 A 81 81 MET N N 81 117.598 119.086 -1.488 1
1 1036 . 17 1 1 A 82 82 ALA H H 82 7.624 7.954 -0.330 1
1 1037 . 17 1 1 A 82 82 ALA HA H 82 4.061 4.141 -0.080 1
1 1041 . 17 1 1 A 82 82 ALA C C 82 179.627 179.751 -0.124 1
1 1042 . 17 1 1 A 82 82 ALA CA C 82 53.856 55.520 -1.664 1
1 1043 . 17 1 1 A 82 82 ALA CB C 82 16.794 18.709 -1.915 1
1 1044 . 17 1 1 A 82 82 ALA N N 82 121.886 121.161 0.725 1
1 1045 . 17 1 1 A 83 83 TYR H H 83 8.476 8.406 0.070 1
1 1046 . 17 1 1 A 83 83 TYR HA H 83 4.147 4.308 -0.161 1
1 1053 . 17 1 1 A 83 83 TYR C C 83 178.127 178.468 -0.341 1
1 1054 . 17 1 1 A 83 83 TYR CA C 83 60.066 61.488 -1.422 1
1 1055 . 17 1 1 A 83 83 TYR CB C 83 36.546 37.443 -0.897 1
1 1056 . 17 1 1 A 83 83 TYR N N 83 119.136 116.270 2.866 1
1 1057 . 17 1 1 A 84 84 ASN H H 84 8.386 8.154 0.232 1
1 1058 . 17 1 1 A 84 84 ASN HA H 84 4.221 4.539 -0.318 1
1 1063 . 17 1 1 A 84 84 ASN C C 84 175.427 177.390 -1.963 1
1 1064 . 17 1 1 A 84 84 ASN CA C 84 56.123 56.677 -0.554 1
1 1065 . 17 1 1 A 84 84 ASN CB C 84 37.387 38.342 -0.955 1
1 1066 . 17 1 1 A 84 84 ASN N N 84 120.692 119.592 1.100 1
1 1068 . 17 1 1 A 85 85 ASP H H 85 7.611 7.691 -0.080 1
1 1069 . 17 1 1 A 85 85 ASP HA H 85 4.234 4.440 -0.206 1
1 1072 . 17 1 1 A 85 85 ASP C C 85 178.227 178.345 -0.118 1
1 1073 . 17 1 1 A 85 85 ASP CA C 85 56.752 57.078 -0.326 1
1 1074 . 17 1 1 A 85 85 ASP CB C 85 38.688 41.046 -2.358 1
1 1075 . 17 1 1 A 85 85 ASP N N 85 118.378 119.939 -1.561 1
1 1076 . 17 1 1 A 86 86 PHE H H 86 7.538 8.373 -0.835 1
1 1077 . 17 1 1 A 86 86 PHE HA H 86 4.291 4.216 0.075 1
1 1084 . 17 1 1 A 86 86 PHE C C 86 176.627 177.526 -0.899 1
1 1085 . 17 1 1 A 86 86 PHE CA C 86 58.743 61.308 -2.565 1
1 1086 . 17 1 1 A 86 86 PHE CB C 86 37.488 38.642 -1.154 1
1 1087 . 17 1 1 A 86 86 PHE N N 86 118.712 120.611 -1.899 1
1 1088 . 17 1 1 A 87 87 PHE H H 87 8.132 8.363 -0.231 1
1 1089 . 17 1 1 A 87 87 PHE HA H 87 3.906 4.190 -0.284 1
1 1096 . 17 1 1 A 87 87 PHE C C 87 176.627 176.856 -0.229 1
1 1097 . 17 1 1 A 87 87 PHE CA C 87 59.554 61.837 -2.283 1
1 1098 . 17 1 1 A 87 87 PHE CB C 87 38.017 39.611 -1.594 1
1 1099 . 17 1 1 A 87 87 PHE N N 87 121.649 120.415 1.234 1
1 1100 . 17 1 1 A 88 88 LEU H H 88 7.953 7.882 0.071 1
1 1101 . 17 1 1 A 88 88 LEU HA H 88 3.775 3.802 -0.027 1
1 1111 . 17 1 1 A 88 88 LEU C C 88 177.627 177.676 -0.049 1
1 1112 . 17 1 1 A 88 88 LEU CA C 88 55.078 56.691 -1.613 1
1 1113 . 17 1 1 A 88 88 LEU CB C 88 41.226 41.647 -0.421 1
1 1117 . 17 1 1 A 88 88 LEU N N 88 118.897 118.732 0.165 1
1 1118 . 17 1 1 A 89 89 GLU H H 89 7.475 7.717 -0.242 1
1 1119 . 17 1 1 A 89 89 GLU HA H 89 3.914 4.226 -0.312 1
1 1124 . 17 1 1 A 89 89 GLU C C 89 176.127 176.704 -0.577 1
1 1125 . 17 1 1 A 89 89 GLU CA C 89 56.926 57.323 -0.397 1
1 1126 . 17 1 1 A 89 89 GLU CB C 89 28.567 29.930 -1.363 1
1 1128 . 17 1 1 A 89 89 GLU N N 89 119.332 118.794 0.538 1
1 1129 . 17 1 1 A 90 90 ASP H H 90 7.750 8.055 -0.305 1
1 1130 . 17 1 1 A 90 90 ASP HA H 90 4.370 4.827 -0.457 1
1 1133 . 17 1 1 A 90 90 ASP C C 90 175.227 176.700 -1.473 1
1 1134 . 17 1 1 A 90 90 ASP CA C 90 53.593 55.520 -1.927 1
1 1135 . 17 1 1 A 90 90 ASP CB C 90 40.323 42.470 -2.147 1
1 1136 . 17 1 1 A 90 90 ASP N N 90 118.945 120.272 -1.327 1
1 1137 . 17 1 1 A 91 91 ASN H H 91 7.681 7.454 0.227 1
1 1138 . 17 1 1 A 91 91 ASN HA H 91 4.495 4.918 -0.423 1
1 1143 . 17 1 1 A 91 91 ASN C C 91 173.027 174.447 -1.420 1
1 1144 . 17 1 1 A 91 91 ASN CA C 91 52.041 52.276 -0.235 1
1 1145 . 17 1 1 A 91 91 ASN CB C 91 38.072 36.599 1.473 1
1 1146 . 17 1 1 A 91 91 ASN N N 91 118.171 116.033 2.138 1
1 10 . 18 1 1 A 2 2 GLU H H 2 8.776 8.783 -0.007 1
1 11 . 18 1 1 A 2 2 GLU HA H 2 4.535 4.390 0.145 1
1 16 . 18 1 1 A 2 2 GLU C C 2 175.627 176.620 -0.993 1
1 17 . 18 1 1 A 2 2 GLU CA C 2 55.573 58.219 -2.646 1
1 18 . 18 1 1 A 2 2 GLU CB C 2 30.569 29.923 0.646 1
1 20 . 18 1 1 A 2 2 GLU N N 2 124.305 124.599 -0.294 1
1 21 . 18 1 1 A 3 3 THR H H 3 8.835 7.775 1.060 1
1 22 . 18 1 1 A 3 3 THR HA H 3 4.608 4.742 -0.134 1
1 27 . 18 1 1 A 3 3 THR CA C 3 59.187 58.978 0.209 1
1 28 . 18 1 1 A 3 3 THR CB C 3 67.385 70.701 -3.316 1
1 30 . 18 1 1 A 3 3 THR N N 3 116.176 110.949 5.227 1
1 31 . 18 1 1 A 4 4 PRO HA H 4 4.158 4.418 -0.260 1
1 38 . 18 1 1 A 4 4 PRO C C 4 179.327 177.790 1.537 1
1 39 . 18 1 1 A 4 4 PRO CA C 4 65.040 64.522 0.518 1
1 40 . 18 1 1 A 4 4 PRO CB C 4 30.616 31.894 -1.278 1
1 43 . 18 1 1 A 5 5 LEU H H 5 8.794 7.629 1.165 1
1 44 . 18 1 1 A 5 5 LEU HA H 5 3.944 4.023 -0.079 1
1 54 . 18 1 1 A 5 5 LEU C C 5 177.327 178.589 -1.262 1
1 55 . 18 1 1 A 5 5 LEU CA C 5 56.920 57.263 -0.343 1
1 56 . 18 1 1 A 5 5 LEU CB C 5 41.139 41.393 -0.254 1
1 60 . 18 1 1 A 5 5 LEU N N 5 118.892 118.221 0.671 1
1 61 . 18 1 1 A 6 6 GLU H H 6 7.664 7.895 -0.231 1
1 62 . 18 1 1 A 6 6 GLU HA H 6 3.744 3.975 -0.231 1
1 67 . 18 1 1 A 6 6 GLU C C 6 178.827 179.626 -0.799 1
1 68 . 18 1 1 A 6 6 GLU CA C 6 59.347 59.549 -0.202 1
1 69 . 18 1 1 A 6 6 GLU CB C 6 28.700 29.182 -0.482 1
1 71 . 18 1 1 A 6 6 GLU N N 6 118.741 118.866 -0.125 1
1 72 . 18 1 1 A 7 7 LYS H H 7 8.435 8.060 0.375 1
1 73 . 18 1 1 A 7 7 LYS HA H 7 3.909 4.039 -0.130 1
1 82 . 18 1 1 A 7 7 LYS C C 7 178.527 179.057 -0.530 1
1 83 . 18 1 1 A 7 7 LYS CA C 7 58.539 59.232 -0.693 1
1 84 . 18 1 1 A 7 7 LYS CB C 7 31.217 31.917 -0.700 1
1 88 . 18 1 1 A 7 7 LYS N N 7 119.285 119.263 0.022 1
1 89 . 18 1 1 A 8 8 ALA H H 8 8.008 7.714 0.294 1
1 90 . 18 1 1 A 8 8 ALA HA H 8 4.038 3.974 0.064 1
1 94 . 18 1 1 A 8 8 ALA C C 8 178.327 179.714 -1.387 1
1 95 . 18 1 1 A 8 8 ALA CA C 8 54.356 55.120 -0.764 1
1 96 . 18 1 1 A 8 8 ALA CB C 8 17.509 18.647 -1.138 1
1 97 . 18 1 1 A 8 8 ALA N N 8 123.866 122.759 1.107 1
1 98 . 18 1 1 A 9 9 LEU H H 9 8.163 8.457 -0.294 1
1 99 . 18 1 1 A 9 9 LEU HA H 9 3.809 3.932 -0.123 1
1 109 . 18 1 1 A 9 9 LEU C C 9 178.527 179.092 -0.565 1
1 110 . 18 1 1 A 9 9 LEU CA C 9 57.256 57.991 -0.735 1
1 111 . 18 1 1 A 9 9 LEU CB C 9 40.483 41.603 -1.120 1
1 115 . 18 1 1 A 9 9 LEU N N 9 119.134 118.221 0.913 1
1 116 . 18 1 1 A 10 10 THR H H 10 8.186 7.947 0.239 1
1 117 . 18 1 1 A 10 10 THR HA H 10 3.741 3.918 -0.177 1
1 122 . 18 1 1 A 10 10 THR C C 10 176.727 176.674 0.053 1
1 123 . 18 1 1 A 10 10 THR CA C 10 66.345 66.713 -0.368 1
1 124 . 18 1 1 A 10 10 THR CB C 10 67.558 68.759 -1.201 1
1 126 . 18 1 1 A 10 10 THR N N 10 114.355 115.589 -1.234 1
1 127 . 18 1 1 A 11 11 THR H H 11 8.387 8.137 0.250 1
1 128 . 18 1 1 A 11 11 THR HA H 11 3.963 3.945 0.018 1
1 133 . 18 1 1 A 11 11 THR C C 11 176.827 176.895 -0.068 1
1 134 . 18 1 1 A 11 11 THR CA C 11 65.801 66.992 -1.191 1
1 135 . 18 1 1 A 11 11 THR CB C 11 67.140 68.122 -0.982 1
1 137 . 18 1 1 A 11 11 THR N N 11 120.801 116.154 4.647 1
1 138 . 18 1 1 A 12 12 MET H H 12 8.299 8.414 -0.115 1
1 139 . 18 1 1 A 12 12 MET HA H 12 3.872 4.309 -0.437 1
1 147 . 18 1 1 A 12 12 MET C C 12 177.827 178.471 -0.644 1
1 148 . 18 1 1 A 12 12 MET CA C 12 59.263 58.151 1.112 1
1 149 . 18 1 1 A 12 12 MET CB C 12 31.845 32.676 -0.831 1
1 152 . 18 1 1 A 12 12 MET N N 12 124.102 118.516 5.586 1
1 153 . 18 1 1 A 13 13 VAL H H 13 7.820 8.129 -0.309 1
1 154 . 18 1 1 A 13 13 VAL HA H 13 3.937 4.120 -0.183 1
1 162 . 18 1 1 A 13 13 VAL C C 13 177.127 178.131 -1.004 1
1 163 . 18 1 1 A 13 13 VAL CA C 13 65.677 66.214 -0.537 1
1 164 . 18 1 1 A 13 13 VAL CB C 13 31.656 31.463 0.193 1
1 167 . 18 1 1 A 13 13 VAL N N 13 119.838 116.633 3.205 1
1 168 . 18 1 1 A 14 14 THR H H 14 9.107 8.299 0.808 1
1 169 . 18 1 1 A 14 14 THR HA H 14 3.654 3.981 -0.327 1
1 174 . 18 1 1 A 14 14 THR C C 14 177.527 176.975 0.552 1
1 175 . 18 1 1 A 14 14 THR CA C 14 65.273 66.309 -1.036 1
1 176 . 18 1 1 A 14 14 THR CB C 14 67.652 68.949 -1.297 1
1 178 . 18 1 1 A 14 14 THR N N 14 112.247 116.107 -3.860 1
1 179 . 18 1 1 A 15 15 THR H H 15 8.189 8.014 0.175 1
1 180 . 18 1 1 A 15 15 THR HA H 15 3.864 4.147 -0.283 1
1 186 . 18 1 1 A 15 15 THR C C 15 173.627 176.683 -3.056 1
1 187 . 18 1 1 A 15 15 THR CA C 15 66.930 65.753 1.177 1
1 188 . 18 1 1 A 15 15 THR CB C 15 66.539 68.613 -2.074 1
1 190 . 18 1 1 A 15 15 THR N N 15 117.691 114.046 3.645 1
1 191 . 18 1 1 A 16 16 PHE H H 16 6.850 8.387 -1.537 1
1 192 . 18 1 1 A 16 16 PHE HA H 16 3.417 4.138 -0.721 1
1 199 . 18 1 1 A 16 16 PHE C C 16 175.627 177.320 -1.693 1
1 200 . 18 1 1 A 16 16 PHE CA C 16 61.577 61.495 0.082 1
1 201 . 18 1 1 A 16 16 PHE CB C 16 38.177 39.019 -0.842 1
1 202 . 18 1 1 A 16 16 PHE N N 16 120.169 122.583 -2.414 1
1 203 . 18 1 1 A 17 17 HIS H H 17 6.924 8.824 -1.900 1
1 204 . 18 1 1 A 17 17 HIS HA H 17 4.755 4.215 0.540 1
1 207 . 18 1 1 A 17 17 HIS C C 17 176.227 176.818 -0.591 1
1 208 . 18 1 1 A 17 17 HIS CA C 17 56.810 60.112 -3.302 1
1 209 . 18 1 1 A 17 17 HIS CB C 17 29.597 29.787 -0.190 1
1 210 . 18 1 1 A 17 17 HIS N N 17 115.499 118.240 -2.741 1
1 211 . 18 1 1 A 18 18 LYS H H 18 7.888 8.226 -0.338 1
1 212 . 18 1 1 A 18 18 LYS HA H 18 3.870 3.856 0.014 1
1 221 . 18 1 1 A 18 18 LYS C C 18 176.927 178.336 -1.409 1
1 222 . 18 1 1 A 18 18 LYS CA C 18 57.897 59.565 -1.668 1
1 223 . 18 1 1 A 18 18 LYS CB C 18 31.582 32.298 -0.716 1
1 227 . 18 1 1 A 18 18 LYS N N 18 121.217 119.591 1.626 1
1 228 . 18 1 1 A 19 19 TYR H H 19 6.928 7.958 -1.030 1
1 229 . 18 1 1 A 19 19 TYR HA H 19 4.163 4.089 0.074 1
1 234 . 18 1 1 A 19 19 TYR C C 19 175.027 178.137 -3.110 1
1 235 . 18 1 1 A 19 19 TYR CA C 19 59.335 61.135 -1.800 1
1 236 . 18 1 1 A 19 19 TYR CB C 19 39.515 37.732 1.783 1
1 237 . 18 1 1 A 19 19 TYR N N 19 114.488 119.094 -4.606 1
1 238 . 18 1 1 A 20 20 SER H H 20 8.021 8.346 -0.325 1
1 239 . 18 1 1 A 20 20 SER HA H 20 3.105 3.844 -0.739 1
1 242 . 18 1 1 A 20 20 SER C C 20 176.527 176.888 -0.361 1
1 243 . 18 1 1 A 20 20 SER CA C 20 60.457 60.988 -0.531 1
1 244 . 18 1 1 A 20 20 SER CB C 20 60.326 62.433 -2.107 1
1 245 . 18 1 1 A 20 20 SER N N 20 112.624 116.044 -3.420 1
1 246 . 18 1 1 A 21 21 GLY H H 21 7.908 8.076 -0.168 1
1 247 . 18 1 1 A 21 21 GLY HA2 H 21 4.197 3.871 0.326 1
1 248 . 18 1 1 A 21 21 GLY HA3 H 21 3.761 3.885 -0.124 1
1 249 . 18 1 1 A 21 21 GLY C C 21 173.027 175.199 -2.172 1
1 250 . 18 1 1 A 21 21 GLY CA C 21 44.357 45.788 -1.431 1
1 251 . 18 1 1 A 21 21 GLY N N 21 112.095 107.276 4.819 1
1 252 . 18 1 1 A 22 22 ARG H H 22 7.470 7.293 0.177 1
1 253 . 18 1 1 A 22 22 ARG HA H 22 3.956 4.092 -0.136 1
1 260 . 18 1 1 A 22 22 ARG C C 22 176.327 175.731 0.596 1
1 261 . 18 1 1 A 22 22 ARG CA C 22 58.189 58.286 -0.097 1
1 262 . 18 1 1 A 22 22 ARG CB C 22 29.483 31.204 -1.721 1
1 265 . 18 1 1 A 22 22 ARG N N 22 122.481 120.720 1.761 1
1 266 . 18 1 1 A 23 23 GLU H H 23 9.412 8.176 1.236 1
1 267 . 18 1 1 A 23 23 GLU HA H 23 4.626 4.556 0.070 1
1 272 . 18 1 1 A 23 23 GLU C C 23 175.027 176.036 -1.009 1
1 273 . 18 1 1 A 23 23 GLU CA C 23 53.319 56.088 -2.769 1
1 274 . 18 1 1 A 23 23 GLU CB C 23 32.032 32.967 -0.935 1
1 276 . 18 1 1 A 23 23 GLU N N 23 116.123 118.028 -1.905 1
1 277 . 18 1 1 A 24 24 GLY H H 24 9.080 8.697 0.383 1
1 278 . 18 1 1 A 24 24 GLY HA2 H 24 3.694 3.802 -0.108 1
1 279 . 18 1 1 A 24 24 GLY HA3 H 24 3.878 3.835 0.043 1
1 280 . 18 1 1 A 24 24 GLY C C 24 172.827 173.760 -0.933 1
1 281 . 18 1 1 A 24 24 GLY CA C 24 44.707 46.837 -2.130 1
1 282 . 18 1 1 A 24 24 GLY N N 24 114.015 115.143 -1.128 1
1 283 . 18 1 1 A 25 25 SER H H 25 8.465 8.729 -0.264 1
1 284 . 18 1 1 A 25 25 SER HA H 25 4.312 4.381 -0.069 1
1 287 . 18 1 1 A 25 25 SER C C 25 178.027 175.056 2.971 1
1 288 . 18 1 1 A 25 25 SER CA C 25 57.478 58.949 -1.471 1
1 289 . 18 1 1 A 25 25 SER CB C 25 61.941 64.331 -2.390 1
1 290 . 18 1 1 A 25 25 SER N N 25 117.299 119.074 -1.775 1
1 291 . 18 1 1 A 26 26 LYS H H 26 9.532 8.356 1.176 1
1 292 . 18 1 1 A 26 26 LYS HA H 26 4.660 4.673 -0.013 1
1 301 . 18 1 1 A 26 26 LYS C C 26 176.127 176.902 -0.775 1
1 302 . 18 1 1 A 26 26 LYS CA C 26 56.928 56.037 0.891 1
1 303 . 18 1 1 A 26 26 LYS CB C 26 30.526 32.560 -2.034 1
1 307 . 18 1 1 A 26 26 LYS N N 26 131.209 120.448 10.761 1
1 308 . 18 1 1 A 27 27 LEU H H 27 8.643 7.832 0.811 1
1 309 . 18 1 1 A 27 27 LEU HA H 27 4.583 4.453 0.130 1
1 319 . 18 1 1 A 27 27 LEU C C 27 174.827 175.329 -0.502 1
1 320 . 18 1 1 A 27 27 LEU CA C 27 53.205 54.687 -1.482 1
1 321 . 18 1 1 A 27 27 LEU CB C 27 41.824 42.522 -0.698 1
1 325 . 18 1 1 A 27 27 LEU N N 27 118.729 118.884 -0.155 1
1 326 . 18 1 1 A 28 28 THR H H 28 7.037 7.462 -0.425 1
1 327 . 18 1 1 A 28 28 THR HA H 28 5.168 4.718 0.450 1
1 332 . 18 1 1 A 28 28 THR C C 28 172.727 172.080 0.647 1
1 333 . 18 1 1 A 28 28 THR CA C 28 57.915 60.748 -2.833 1
1 334 . 18 1 1 A 28 28 THR CB C 28 71.934 71.123 0.811 1
1 336 . 18 1 1 A 28 28 THR N N 28 104.663 110.011 -5.348 1
1 337 . 18 1 1 A 29 29 LEU H H 29 9.517 8.810 0.707 1
1 338 . 18 1 1 A 29 29 LEU HA H 29 5.196 4.983 0.213 1
1 348 . 18 1 1 A 29 29 LEU C C 29 175.527 176.706 -1.179 1
1 349 . 18 1 1 A 29 29 LEU CA C 29 51.653 53.528 -1.875 1
1 350 . 18 1 1 A 29 29 LEU CB C 29 42.301 42.067 0.234 1
1 354 . 18 1 1 A 29 29 LEU N N 29 125.388 125.770 -0.382 1
1 355 . 18 1 1 A 30 30 SER H H 30 10.053 8.970 1.083 1
1 356 . 18 1 1 A 30 30 SER HA H 30 4.475 4.769 -0.294 1
1 359 . 18 1 1 A 30 30 SER C C 30 173.427 175.094 -1.667 1
1 360 . 18 1 1 A 30 30 SER CA C 30 55.011 57.395 -2.384 1
1 361 . 18 1 1 A 30 30 SER CB C 30 64.446 65.085 -0.639 1
1 362 . 18 1 1 A 30 30 SER N N 30 121.114 120.472 0.642 1
1 363 . 18 1 1 A 31 31 ARG H H 31 8.992 8.861 0.131 1
1 364 . 18 1 1 A 31 31 ARG HA H 31 3.923 3.832 0.091 1
1 371 . 18 1 1 A 31 31 ARG C C 31 177.027 177.835 -0.808 1
1 372 . 18 1 1 A 31 31 ARG CA C 31 59.408 59.879 -0.471 1
1 373 . 18 1 1 A 31 31 ARG CB C 31 29.041 30.146 -1.105 1
1 376 . 18 1 1 A 31 31 ARG N N 31 120.513 122.359 -1.846 1
1 377 . 18 1 1 A 32 32 LYS H H 32 7.845 7.578 0.267 1
1 378 . 18 1 1 A 32 32 LYS HA H 32 3.826 4.129 -0.303 1
1 387 . 18 1 1 A 32 32 LYS C C 32 178.927 178.911 0.016 1
1 388 . 18 1 1 A 32 32 LYS CA C 32 58.677 59.330 -0.653 1
1 389 . 18 1 1 A 32 32 LYS CB C 32 31.964 32.141 -0.177 1
1 393 . 18 1 1 A 32 32 LYS N N 32 117.011 118.233 -1.222 1
1 394 . 18 1 1 A 33 33 GLU H H 33 7.612 7.764 -0.152 1
1 395 . 18 1 1 A 33 33 GLU HA H 33 3.954 4.083 -0.129 1
1 400 . 18 1 1 A 33 33 GLU C C 33 177.227 179.126 -1.899 1
1 401 . 18 1 1 A 33 33 GLU CA C 33 58.289 59.004 -0.715 1
1 402 . 18 1 1 A 33 33 GLU CB C 33 29.757 29.362 0.395 1
1 404 . 18 1 1 A 33 33 GLU N N 33 120.815 120.332 0.483 1
1 405 . 18 1 1 A 34 34 LEU H H 34 8.694 7.778 0.916 1
1 406 . 18 1 1 A 34 34 LEU HA H 34 3.811 3.856 -0.045 1
1 416 . 18 1 1 A 34 34 LEU C C 34 176.927 178.121 -1.194 1
1 417 . 18 1 1 A 34 34 LEU CA C 34 57.025 57.705 -0.680 1
1 418 . 18 1 1 A 34 34 LEU CB C 34 40.638 41.324 -0.686 1
1 422 . 18 1 1 A 34 34 LEU N N 34 119.291 121.108 -1.817 1
1 423 . 18 1 1 A 35 35 LYS H H 35 8.114 8.080 0.034 1
1 424 . 18 1 1 A 35 35 LYS HA H 35 3.569 3.866 -0.297 1
1 433 . 18 1 1 A 35 35 LYS C C 35 177.027 178.658 -1.631 1
1 434 . 18 1 1 A 35 35 LYS CA C 35 59.419 59.711 -0.292 1
1 435 . 18 1 1 A 35 35 LYS CB C 35 31.271 32.411 -1.140 1
1 439 . 18 1 1 A 35 35 LYS N N 35 117.277 118.757 -1.480 1
1 440 . 18 1 1 A 36 36 GLU H H 36 7.560 7.945 -0.385 1
1 441 . 18 1 1 A 36 36 GLU HA H 36 3.845 3.999 -0.154 1
1 446 . 18 1 1 A 36 36 GLU C C 36 175.827 178.874 -3.047 1
1 447 . 18 1 1 A 36 36 GLU CA C 36 58.190 59.004 -0.814 1
1 448 . 18 1 1 A 36 36 GLU CB C 36 28.253 29.433 -1.180 1
1 450 . 18 1 1 A 36 36 GLU N N 36 119.302 119.068 0.234 1
1 451 . 18 1 1 A 37 37 LEU H H 37 7.682 7.840 -0.158 1
1 452 . 18 1 1 A 37 37 LEU HA H 37 2.280 3.066 -0.786 1
1 462 . 18 1 1 A 37 37 LEU C C 37 178.327 178.667 -0.340 1
1 463 . 18 1 1 A 37 37 LEU CA C 37 58.225 57.736 0.489 1
1 464 . 18 1 1 A 37 37 LEU CB C 37 41.090 41.341 -0.251 1
1 468 . 18 1 1 A 37 37 LEU N N 37 121.690 122.210 -0.520 1
1 469 . 18 1 1 A 38 38 ILE H H 38 8.157 8.192 -0.035 1
1 470 . 18 1 1 A 38 38 ILE HA H 38 3.292 3.597 -0.305 1
1 480 . 18 1 1 A 38 38 ILE C C 38 177.027 178.338 -1.311 1
1 481 . 18 1 1 A 38 38 ILE CA C 38 65.007 65.635 -0.628 1
1 482 . 18 1 1 A 38 38 ILE CB C 38 37.187 37.639 -0.452 1
1 486 . 18 1 1 A 38 38 ILE N N 38 117.626 120.259 -2.633 1
1 487 . 18 1 1 A 39 39 LYS H H 39 8.068 7.895 0.173 1
1 488 . 18 1 1 A 39 39 LYS HA H 39 3.876 4.197 -0.321 1
1 497 . 18 1 1 A 39 39 LYS C C 39 177.927 178.011 -0.084 1
1 498 . 18 1 1 A 39 39 LYS CA C 39 58.204 58.894 -0.690 1
1 499 . 18 1 1 A 39 39 LYS CB C 39 31.731 32.454 -0.723 1
1 503 . 18 1 1 A 39 39 LYS N N 39 117.909 119.022 -1.113 1
1 504 . 18 1 1 A 40 40 LYS H H 40 8.094 7.619 0.475 1
1 505 . 18 1 1 A 40 40 LYS HA H 40 4.248 4.287 -0.039 1
1 514 . 18 1 1 A 40 40 LYS C C 40 178.227 178.835 -0.608 1
1 515 . 18 1 1 A 40 40 LYS CA C 40 56.291 58.420 -2.129 1
1 516 . 18 1 1 A 40 40 LYS CB C 40 32.652 33.301 -0.649 1
1 520 . 18 1 1 A 40 40 LYS N N 40 114.323 118.539 -4.216 1
1 521 . 18 1 1 A 41 41 GLU H H 41 8.381 7.882 0.499 1
1 522 . 18 1 1 A 41 41 GLU HA H 41 4.744 4.337 0.407 1
1 527 . 18 1 1 A 41 41 GLU C C 41 176.227 176.448 -0.221 1
1 528 . 18 1 1 A 41 41 GLU CA C 41 55.054 58.056 -3.002 1
1 529 . 18 1 1 A 41 41 GLU CB C 41 29.598 30.532 -0.934 1
1 531 . 18 1 1 A 41 41 GLU N N 41 113.079 117.572 -4.493 1
1 532 . 18 1 1 A 42 42 LEU H H 42 7.544 7.986 -0.442 1
1 533 . 18 1 1 A 42 42 LEU HA H 42 4.754 4.917 -0.163 1
1 542 . 18 1 1 A 42 42 LEU CA C 42 52.564 53.602 -1.038 1
1 543 . 18 1 1 A 42 42 LEU CB C 42 43.848 45.996 -2.148 1
1 546 . 18 1 1 A 42 42 LEU N N 42 118.458 119.684 -1.226 1
1 547 . 18 1 1 A 43 43 CYS H H 43 8.342 8.609 -0.267 1
1 548 . 18 1 1 A 43 43 CYS HA H 43 4.486 4.752 -0.266 1
1 551 . 18 1 1 A 43 43 CYS C C 43 174.327 173.818 0.509 1
1 552 . 18 1 1 A 43 43 CYS CA C 43 57.655 58.365 -0.710 1
1 553 . 18 1 1 A 43 43 CYS CB C 43 25.653 29.717 -4.064 1
1 554 . 18 1 1 A 44 44 LEU H H 44 8.123 7.458 0.665 1
1 555 . 18 1 1 A 44 44 LEU HA H 44 4.339 4.504 -0.165 1
1 565 . 18 1 1 A 44 44 LEU C C 44 176.927 177.084 -0.157 1
1 566 . 18 1 1 A 44 44 LEU CA C 44 53.750 53.633 0.117 1
1 567 . 18 1 1 A 44 44 LEU CB C 44 40.784 43.655 -2.871 1
1 571 . 18 1 1 A 44 44 LEU N N 44 121.974 119.610 2.364 1
1 572 . 18 1 1 A 45 45 GLY H H 45 8.072 8.755 -0.683 1
1 573 . 18 1 1 A 45 45 GLY HA2 H 45 3.889 3.840 0.049 1
1 574 . 18 1 1 A 45 45 GLY HA3 H 45 3.698 3.908 -0.210 1
1 575 . 18 1 1 A 45 45 GLY C C 45 173.127 174.104 -0.977 1
1 576 . 18 1 1 A 45 45 GLY CA C 45 44.291 47.075 -2.784 1
1 577 . 18 1 1 A 45 45 GLY N N 45 107.819 109.016 -1.197 1
1 578 . 18 1 1 A 46 46 GLU H H 46 8.472 8.542 -0.070 1
1 579 . 18 1 1 A 46 46 GLU HA H 46 4.048 4.948 -0.900 1
1 584 . 18 1 1 A 46 46 GLU C C 46 175.727 174.818 0.909 1
1 585 . 18 1 1 A 46 46 GLU CA C 46 56.461 55.530 0.931 1
1 586 . 18 1 1 A 46 46 GLU CB C 46 28.208 30.244 -2.036 1
1 588 . 18 1 1 A 46 46 GLU N N 46 120.563 123.810 -3.247 1
1 589 . 18 1 1 A 47 47 MET H H 47 8.189 8.997 -0.808 1
1 590 . 18 1 1 A 47 47 MET HA H 47 4.413 4.571 -0.158 1
1 598 . 18 1 1 A 47 47 MET C C 47 175.027 175.242 -0.215 1
1 599 . 18 1 1 A 47 47 MET CA C 47 53.905 54.691 -0.786 1
1 600 . 18 1 1 A 47 47 MET CB C 47 32.611 31.701 0.910 1
1 603 . 18 1 1 A 47 47 MET N N 47 123.201 126.419 -3.218 1
1 604 . 18 1 1 A 48 48 LYS H H 48 8.355 8.176 0.179 1
1 605 . 18 1 1 A 48 48 LYS HA H 48 4.237 4.516 -0.279 1
1 614 . 18 1 1 A 48 48 LYS C C 48 177.027 177.627 -0.600 1
1 615 . 18 1 1 A 48 48 LYS CA C 48 55.443 55.649 -0.206 1
1 616 . 18 1 1 A 48 48 LYS CB C 48 32.173 33.872 -1.699 1
1 620 . 18 1 1 A 48 48 LYS N N 48 123.046 127.386 -4.340 1
1 621 . 18 1 1 A 49 49 GLU H H 49 8.742 8.948 -0.206 1
1 622 . 18 1 1 A 49 49 GLU HA H 49 3.884 4.062 -0.178 1
1 627 . 18 1 1 A 49 49 GLU C C 49 177.727 178.717 -0.990 1
1 628 . 18 1 1 A 49 49 GLU CA C 49 58.534 59.235 -0.701 1
1 629 . 18 1 1 A 49 49 GLU CB C 49 27.870 29.025 -1.155 1
1 631 . 18 1 1 A 49 49 GLU N N 49 122.407 124.425 -2.018 1
1 632 . 18 1 1 A 50 50 SER H H 50 8.324 7.912 0.412 1
1 633 . 18 1 1 A 50 50 SER HA H 50 4.188 4.338 -0.150 1
1 636 . 18 1 1 A 50 50 SER C C 50 175.427 176.951 -1.524 1
1 637 . 18 1 1 A 50 50 SER CA C 50 59.402 61.248 -1.846 1
1 638 . 18 1 1 A 50 50 SER CB C 50 61.442 62.691 -1.249 1
1 639 . 18 1 1 A 50 50 SER N N 50 112.475 115.973 -3.498 1
1 640 . 18 1 1 A 51 51 SER H H 51 7.400 8.056 -0.656 1
1 641 . 18 1 1 A 51 51 SER HA H 51 3.926 4.264 -0.338 1
1 644 . 18 1 1 A 51 51 SER C C 51 176.027 176.300 -0.273 1
1 645 . 18 1 1 A 51 51 SER CA C 51 59.762 61.954 -2.192 1
1 646 . 18 1 1 A 51 51 SER CB C 51 60.955 62.943 -1.988 1
1 647 . 18 1 1 A 51 51 SER N N 51 118.432 116.871 1.561 1
1 648 . 18 1 1 A 52 52 ILE H H 52 7.790 8.085 -0.295 1
1 649 . 18 1 1 A 52 52 ILE HA H 52 3.642 3.671 -0.029 1
1 659 . 18 1 1 A 52 52 ILE C C 52 176.427 177.959 -1.532 1
1 660 . 18 1 1 A 52 52 ILE CA C 52 61.984 64.564 -2.580 1
1 661 . 18 1 1 A 52 52 ILE CB C 52 34.990 36.806 -1.816 1
1 665 . 18 1 1 A 52 52 ILE N N 52 123.838 122.119 1.719 1
1 666 . 18 1 1 A 53 53 ASP H H 53 8.092 8.497 -0.405 1
1 667 . 18 1 1 A 53 53 ASP HA H 53 4.225 4.370 -0.145 1
1 670 . 18 1 1 A 53 53 ASP C C 53 178.227 178.095 0.132 1
1 671 . 18 1 1 A 53 53 ASP CA C 53 56.606 57.269 -0.663 1
1 672 . 18 1 1 A 53 53 ASP CB C 53 39.034 40.621 -1.587 1
1 673 . 18 1 1 A 53 53 ASP N N 53 121.313 122.199 -0.886 1
1 674 . 18 1 1 A 54 54 ASP H H 54 7.811 7.928 -0.117 1
1 675 . 18 1 1 A 54 54 ASP HA H 54 4.253 4.390 -0.137 1
1 678 . 18 1 1 A 54 54 ASP C C 54 177.927 178.354 -0.427 1
1 679 . 18 1 1 A 54 54 ASP CA C 54 56.467 57.111 -0.644 1
1 680 . 18 1 1 A 54 54 ASP CB C 54 39.401 40.731 -1.330 1
1 681 . 18 1 1 A 54 54 ASP N N 54 120.122 119.959 0.163 1
1 682 . 18 1 1 A 55 55 LEU H H 55 7.789 7.752 0.037 1
1 683 . 18 1 1 A 55 55 LEU HA H 55 3.979 4.022 -0.043 1
1 693 . 18 1 1 A 55 55 LEU C C 55 178.027 178.538 -0.511 1
1 694 . 18 1 1 A 55 55 LEU CA C 55 56.713 57.802 -1.089 1
1 695 . 18 1 1 A 55 55 LEU CB C 55 40.799 41.626 -0.827 1
1 699 . 18 1 1 A 55 55 LEU N N 55 122.944 120.701 2.243 1
1 700 . 18 1 1 A 56 56 MET H H 56 8.601 8.589 0.012 1
1 701 . 18 1 1 A 56 56 MET HA H 56 3.827 4.034 -0.207 1
1 709 . 18 1 1 A 56 56 MET C C 56 177.027 178.374 -1.347 1
1 710 . 18 1 1 A 56 56 MET CA C 56 57.116 58.586 -1.470 1
1 711 . 18 1 1 A 56 56 MET CB C 56 29.825 31.919 -2.094 1
1 714 . 18 1 1 A 56 56 MET N N 56 117.863 119.610 -1.747 1
1 715 . 18 1 1 A 57 57 LYS H H 57 7.693 8.053 -0.360 1
1 716 . 18 1 1 A 57 57 LYS HA H 57 3.954 4.192 -0.238 1
1 725 . 18 1 1 A 57 57 LYS C C 57 178.127 178.841 -0.714 1
1 726 . 18 1 1 A 57 57 LYS CA C 57 58.352 58.892 -0.540 1
1 727 . 18 1 1 A 57 57 LYS CB C 57 31.315 31.979 -0.664 1
1 731 . 18 1 1 A 57 57 LYS N N 57 116.455 119.150 -2.695 1
1 732 . 18 1 1 A 58 58 SER H H 58 7.661 7.617 0.044 1
1 733 . 18 1 1 A 58 58 SER HA H 58 4.115 4.286 -0.171 1
1 736 . 18 1 1 A 58 58 SER C C 58 174.827 177.383 -2.556 1
1 737 . 18 1 1 A 58 58 SER CA C 58 59.986 61.081 -1.095 1
1 738 . 18 1 1 A 58 58 SER CB C 58 62.464 63.013 -0.549 1
1 739 . 18 1 1 A 58 58 SER N N 58 113.020 115.094 -2.074 1
1 740 . 18 1 1 A 59 59 LEU H H 59 7.917 7.993 -0.076 1
1 741 . 18 1 1 A 59 59 LEU HA H 59 4.269 4.137 0.132 1
1 751 . 18 1 1 A 59 59 LEU C C 59 177.627 177.465 0.162 1
1 752 . 18 1 1 A 59 59 LEU CA C 59 54.402 58.183 -3.781 1
1 753 . 18 1 1 A 59 59 LEU CB C 59 43.731 41.928 1.803 1
1 757 . 18 1 1 A 59 59 LEU N N 59 117.463 119.835 -2.372 1
1 758 . 18 1 1 A 60 60 ASP H H 60 8.025 8.020 0.005 1
1 759 . 18 1 1 A 60 60 ASP HA H 60 4.566 4.551 0.015 1
1 762 . 18 1 1 A 60 60 ASP C C 60 176.627 176.291 0.336 1
1 763 . 18 1 1 A 60 60 ASP CA C 60 52.335 54.556 -2.221 1
1 764 . 18 1 1 A 60 60 ASP CB C 60 38.139 41.577 -3.438 1
1 765 . 18 1 1 A 60 60 ASP N N 60 117.588 118.242 -0.654 1
1 766 . 18 1 1 A 61 61 LYS H H 61 8.100 9.254 -1.154 1
1 767 . 18 1 1 A 61 61 LYS HA H 61 4.035 4.634 -0.599 1
1 776 . 18 1 1 A 61 61 LYS C C 61 176.727 177.065 -0.338 1
1 777 . 18 1 1 A 61 61 LYS CA C 61 56.887 55.816 1.071 1
1 778 . 18 1 1 A 61 61 LYS CB C 61 31.653 33.322 -1.669 1
1 782 . 18 1 1 A 61 61 LYS N N 61 126.943 124.118 2.825 1
1 783 . 18 1 1 A 62 62 ASN H H 62 7.864 7.793 0.071 1
1 784 . 18 1 1 A 62 62 ASN HA H 62 4.759 4.906 -0.147 1
1 789 . 18 1 1 A 62 62 ASN C C 62 173.727 175.687 -1.960 1
1 790 . 18 1 1 A 62 62 ASN CA C 62 50.660 52.831 -2.171 1
1 791 . 18 1 1 A 62 62 ASN CB C 62 35.920 40.645 -4.725 1
1 792 . 18 1 1 A 62 62 ASN N N 62 113.588 115.377 -1.789 1
1 794 . 18 1 1 A 63 63 SER H H 63 7.613 8.606 -0.993 1
1 795 . 18 1 1 A 63 63 SER HA H 63 3.962 4.144 -0.182 1
1 798 . 18 1 1 A 63 63 SER C C 63 172.927 174.810 -1.883 1
1 799 . 18 1 1 A 63 63 SER CA C 63 58.262 59.395 -1.133 1
1 800 . 18 1 1 A 63 63 SER CB C 63 60.708 63.017 -2.309 1
1 801 . 18 1 1 A 63 63 SER N N 63 111.592 113.628 -2.036 1
1 802 . 18 1 1 A 64 64 ASP H H 64 8.217 7.972 0.245 1
1 803 . 18 1 1 A 64 64 ASP HA H 64 4.653 4.519 0.134 1
1 806 . 18 1 1 A 64 64 ASP C C 64 175.927 176.475 -0.548 1
1 807 . 18 1 1 A 64 64 ASP CA C 64 51.641 53.909 -2.268 1
1 808 . 18 1 1 A 64 64 ASP CB C 64 39.385 41.418 -2.033 1
1 809 . 18 1 1 A 64 64 ASP N N 64 118.913 120.649 -1.736 1
1 810 . 18 1 1 A 65 65 GLN H H 65 10.239 7.813 2.426 1
1 811 . 18 1 1 A 65 65 GLN HA H 65 3.356 3.996 -0.640 1
1 818 . 18 1 1 A 65 65 GLN C C 65 172.627 174.088 -1.461 1
1 819 . 18 1 1 A 65 65 GLN CA C 65 56.325 57.234 -0.909 1
1 820 . 18 1 1 A 65 65 GLN CB C 65 24.910 26.116 -1.206 1
1 822 . 18 1 1 A 65 65 GLN N N 65 114.908 114.357 0.551 1
1 824 . 18 1 1 A 66 66 GLU H H 66 7.710 7.932 -0.222 1
1 825 . 18 1 1 A 66 66 GLU HA H 66 4.691 4.842 -0.151 1
1 830 . 18 1 1 A 66 66 GLU C C 66 174.127 175.206 -1.079 1
1 831 . 18 1 1 A 66 66 GLU CA C 66 52.987 54.919 -1.932 1
1 832 . 18 1 1 A 66 66 GLU CB C 66 32.433 32.247 0.186 1
1 834 . 18 1 1 A 66 66 GLU N N 66 115.721 117.829 -2.108 1
1 835 . 18 1 1 A 67 67 ILE H H 67 9.938 9.468 0.470 1
1 836 . 18 1 1 A 67 67 ILE HA H 67 5.291 4.725 0.566 1
1 846 . 18 1 1 A 67 67 ILE C C 67 175.627 175.113 0.514 1
1 847 . 18 1 1 A 67 67 ILE CA C 67 56.241 60.555 -4.314 1
1 848 . 18 1 1 A 67 67 ILE CB C 67 35.492 38.242 -2.750 1
1 852 . 18 1 1 A 67 67 ILE N N 67 125.901 125.975 -0.074 1
1 853 . 18 1 1 A 68 68 ASP H H 68 8.794 9.067 -0.273 1
1 854 . 18 1 1 A 68 68 ASP HA H 68 5.002 4.780 0.222 1
1 857 . 18 1 1 A 68 68 ASP C C 68 174.427 177.314 -2.887 1
1 858 . 18 1 1 A 68 68 ASP CA C 68 51.563 54.587 -3.024 1
1 859 . 18 1 1 A 68 68 ASP CB C 68 40.493 43.121 -2.628 1
1 860 . 18 1 1 A 68 68 ASP N N 68 127.844 128.432 -0.588 1
1 861 . 18 1 1 A 69 69 PHE H H 69 9.068 8.976 0.092 1
1 862 . 18 1 1 A 69 69 PHE HA H 69 3.130 4.161 -1.031 1
1 869 . 18 1 1 A 69 69 PHE C C 69 176.827 178.012 -1.185 1
1 870 . 18 1 1 A 69 69 PHE CA C 69 62.478 61.252 1.226 1
1 871 . 18 1 1 A 69 69 PHE CB C 69 38.096 38.799 -0.703 1
1 872 . 18 1 1 A 69 69 PHE N N 69 118.955 125.679 -6.724 1
1 873 . 18 1 1 A 70 70 LYS H H 70 8.123 8.440 -0.317 1
1 874 . 18 1 1 A 70 70 LYS HA H 70 3.871 4.181 -0.310 1
1 883 . 18 1 1 A 70 70 LYS C C 70 179.527 178.978 0.549 1
1 884 . 18 1 1 A 70 70 LYS CA C 70 59.457 58.581 0.876 1
1 885 . 18 1 1 A 70 70 LYS CB C 70 30.772 31.547 -0.775 1
1 889 . 18 1 1 A 70 70 LYS N N 70 120.287 117.769 2.518 1
1 890 . 18 1 1 A 71 71 GLU H H 71 8.746 8.144 0.602 1
1 891 . 18 1 1 A 71 71 GLU HA H 71 4.099 4.116 -0.017 1
1 896 . 18 1 1 A 71 71 GLU C C 71 179.127 179.063 0.064 1
1 897 . 18 1 1 A 71 71 GLU CA C 71 57.934 58.916 -0.982 1
1 898 . 18 1 1 A 71 71 GLU CB C 71 29.266 30.045 -0.779 1
1 900 . 18 1 1 A 71 71 GLU N N 71 122.207 119.793 2.414 1
1 901 . 18 1 1 A 72 72 TYR H H 72 8.879 8.351 0.528 1
1 902 . 18 1 1 A 72 72 TYR HA H 72 4.010 4.293 -0.283 1
1 909 . 18 1 1 A 72 72 TYR C C 72 175.927 177.712 -1.785 1
1 910 . 18 1 1 A 72 72 TYR CA C 72 58.551 61.746 -3.195 1
1 911 . 18 1 1 A 72 72 TYR CB C 72 38.072 38.879 -0.807 1
1 912 . 18 1 1 A 72 72 TYR N N 72 121.813 122.268 -0.455 1
1 913 . 18 1 1 A 73 73 SER H H 73 8.414 8.584 -0.170 1
1 914 . 18 1 1 A 73 73 SER HA H 73 3.462 3.982 -0.520 1
1 917 . 18 1 1 A 73 73 SER C C 73 175.127 176.432 -1.305 1
1 918 . 18 1 1 A 73 73 SER CA C 73 61.876 61.839 0.037 1
1 919 . 18 1 1 A 73 73 SER CB C 73 61.327 63.074 -1.747 1
1 920 . 18 1 1 A 73 73 SER N N 73 117.840 113.936 3.904 1
1 921 . 18 1 1 A 74 74 VAL H H 74 7.363 8.261 -0.898 1
1 922 . 18 1 1 A 74 74 VAL HA H 74 3.584 3.840 -0.256 1
1 930 . 18 1 1 A 74 74 VAL C C 74 178.027 178.454 -0.427 1
1 931 . 18 1 1 A 74 74 VAL CA C 74 65.397 66.015 -0.618 1
1 932 . 18 1 1 A 74 74 VAL CB C 74 30.300 31.518 -1.218 1
1 935 . 18 1 1 A 74 74 VAL N N 74 123.439 118.390 5.049 1
1 936 . 18 1 1 A 75 75 PHE H H 75 7.282 7.964 -0.682 1
1 937 . 18 1 1 A 75 75 PHE HA H 75 4.562 4.044 0.518 1
1 945 . 18 1 1 A 75 75 PHE C C 75 176.127 177.072 -0.945 1
1 946 . 18 1 1 A 75 75 PHE CA C 75 57.851 61.224 -3.373 1
1 947 . 18 1 1 A 75 75 PHE CB C 75 36.863 39.271 -2.408 1
1 948 . 18 1 1 A 75 75 PHE N N 75 122.766 124.128 -1.362 1
1 949 . 18 1 1 A 76 76 LEU H H 76 7.823 8.094 -0.271 1
1 950 . 18 1 1 A 76 76 LEU HA H 76 3.445 3.685 -0.240 1
1 960 . 18 1 1 A 76 76 LEU C C 76 178.927 179.410 -0.483 1
1 961 . 18 1 1 A 76 76 LEU CA C 76 56.891 57.439 -0.548 1
1 962 . 18 1 1 A 76 76 LEU CB C 76 39.917 40.609 -0.692 1
1 966 . 18 1 1 A 76 76 LEU N N 76 115.619 118.519 -2.900 1
1 967 . 18 1 1 A 77 77 THR H H 77 7.858 8.173 -0.315 1
1 968 . 18 1 1 A 77 77 THR HA H 77 3.665 3.774 -0.109 1
1 974 . 18 1 1 A 77 77 THR C C 77 175.427 176.883 -1.456 1
1 975 . 18 1 1 A 77 77 THR CA C 77 66.127 66.546 -0.419 1
1 976 . 18 1 1 A 77 77 THR CB C 77 67.585 68.027 -0.442 1
1 978 . 18 1 1 A 77 77 THR N N 77 113.417 115.504 -2.087 1
1 979 . 18 1 1 A 78 78 MET H H 78 7.970 8.012 -0.042 1
1 980 . 18 1 1 A 78 78 MET HA H 78 3.935 3.965 -0.030 1
1 988 . 18 1 1 A 78 78 MET C C 78 179.127 178.718 0.409 1
1 989 . 18 1 1 A 78 78 MET CA C 78 58.780 58.680 0.100 1
1 990 . 18 1 1 A 78 78 MET CB C 78 31.501 32.019 -0.518 1
1 993 . 18 1 1 A 78 78 MET N N 78 122.745 118.876 3.869 1
1 994 . 18 1 1 A 79 79 LEU H H 79 7.898 8.070 -0.172 1
1 995 . 18 1 1 A 79 79 LEU HA H 79 3.870 3.901 -0.031 1
1 1005 . 18 1 1 A 79 79 LEU C C 79 178.427 178.764 -0.337 1
1 1006 . 18 1 1 A 79 79 LEU CA C 79 56.843 57.864 -1.021 1
1 1007 . 18 1 1 A 79 79 LEU CB C 79 41.099 41.368 -0.269 1
1 1011 . 18 1 1 A 79 79 LEU N N 79 120.989 119.276 1.713 1
1 1012 . 18 1 1 A 80 80 CYS H H 80 8.400 8.298 0.102 1
1 1013 . 18 1 1 A 80 80 CYS HA H 80 3.830 4.195 -0.365 1
1 1017 . 18 1 1 A 80 80 CYS C C 80 175.927 177.182 -1.255 1
1 1018 . 18 1 1 A 80 80 CYS CA C 80 64.044 62.730 1.314 1
1 1019 . 18 1 1 A 80 80 CYS CB C 80 25.626 27.278 -1.652 1
1 1020 . 18 1 1 A 80 80 CYS N N 80 117.746 118.455 -0.709 1
1 1021 . 18 1 1 A 81 81 MET H H 81 8.295 8.450 -0.155 1
1 1022 . 18 1 1 A 81 81 MET HA H 81 4.023 4.175 -0.152 1
1 1030 . 18 1 1 A 81 81 MET C C 81 177.327 178.146 -0.819 1
1 1031 . 18 1 1 A 81 81 MET CA C 81 57.601 58.862 -1.261 1
1 1032 . 18 1 1 A 81 81 MET CB C 81 30.668 32.943 -2.275 1
1 1035 . 18 1 1 A 81 81 MET N N 81 117.598 119.416 -1.818 1
1 1036 . 18 1 1 A 82 82 ALA H H 82 7.624 7.780 -0.156 1
1 1037 . 18 1 1 A 82 82 ALA HA H 82 4.061 4.062 -0.001 1
1 1041 . 18 1 1 A 82 82 ALA C C 82 179.627 179.417 0.210 1
1 1042 . 18 1 1 A 82 82 ALA CA C 82 53.856 55.309 -1.453 1
1 1043 . 18 1 1 A 82 82 ALA CB C 82 16.794 18.590 -1.796 1
1 1044 . 18 1 1 A 82 82 ALA N N 82 121.886 121.353 0.533 1
1 1045 . 18 1 1 A 83 83 TYR H H 83 8.476 7.637 0.839 1
1 1046 . 18 1 1 A 83 83 TYR HA H 83 4.147 4.346 -0.199 1
1 1053 . 18 1 1 A 83 83 TYR C C 83 178.127 178.080 0.047 1
1 1054 . 18 1 1 A 83 83 TYR CA C 83 60.066 61.593 -1.527 1
1 1055 . 18 1 1 A 83 83 TYR CB C 83 36.546 37.405 -0.859 1
1 1056 . 18 1 1 A 83 83 TYR N N 83 119.136 116.437 2.699 1
1 1057 . 18 1 1 A 84 84 ASN H H 84 8.386 8.160 0.226 1
1 1058 . 18 1 1 A 84 84 ASN HA H 84 4.221 4.491 -0.270 1
1 1063 . 18 1 1 A 84 84 ASN C C 84 175.427 177.858 -2.431 1
1 1064 . 18 1 1 A 84 84 ASN CA C 84 56.123 56.767 -0.644 1
1 1065 . 18 1 1 A 84 84 ASN CB C 84 37.387 39.327 -1.940 1
1 1066 . 18 1 1 A 84 84 ASN N N 84 120.692 119.698 0.994 1
1 1068 . 18 1 1 A 85 85 ASP H H 85 7.611 7.837 -0.226 1
1 1069 . 18 1 1 A 85 85 ASP HA H 85 4.234 4.561 -0.327 1
1 1072 . 18 1 1 A 85 85 ASP C C 85 178.227 178.453 -0.226 1
1 1073 . 18 1 1 A 85 85 ASP CA C 85 56.752 57.097 -0.345 1
1 1074 . 18 1 1 A 85 85 ASP CB C 85 38.688 40.928 -2.240 1
1 1075 . 18 1 1 A 85 85 ASP N N 85 118.378 118.470 -0.092 1
1 1076 . 18 1 1 A 86 86 PHE H H 86 7.538 8.251 -0.713 1
1 1077 . 18 1 1 A 86 86 PHE HA H 86 4.291 4.287 0.004 1
1 1084 . 18 1 1 A 86 86 PHE C C 86 176.627 177.443 -0.816 1
1 1085 . 18 1 1 A 86 86 PHE CA C 86 58.743 61.506 -2.763 1
1 1086 . 18 1 1 A 86 86 PHE CB C 86 37.488 39.281 -1.793 1
1 1087 . 18 1 1 A 86 86 PHE N N 86 118.712 123.069 -4.357 1
1 1088 . 18 1 1 A 87 87 PHE H H 87 8.132 8.430 -0.298 1
1 1089 . 18 1 1 A 87 87 PHE HA H 87 3.906 4.303 -0.397 1
1 1096 . 18 1 1 A 87 87 PHE C C 87 176.627 177.218 -0.591 1
1 1097 . 18 1 1 A 87 87 PHE CA C 87 59.554 61.821 -2.267 1
1 1098 . 18 1 1 A 87 87 PHE CB C 87 38.017 39.467 -1.450 1
1 1099 . 18 1 1 A 87 87 PHE N N 87 121.649 120.387 1.262 1
1 1100 . 18 1 1 A 88 88 LEU H H 88 7.953 7.917 0.036 1
1 1101 . 18 1 1 A 88 88 LEU HA H 88 3.775 3.928 -0.153 1
1 1111 . 18 1 1 A 88 88 LEU C C 88 177.627 177.358 0.269 1
1 1112 . 18 1 1 A 88 88 LEU CA C 88 55.078 56.694 -1.616 1
1 1113 . 18 1 1 A 88 88 LEU CB C 88 41.226 41.789 -0.563 1
1 1117 . 18 1 1 A 88 88 LEU N N 88 118.897 119.042 -0.145 1
1 1118 . 18 1 1 A 89 89 GLU H H 89 7.475 8.010 -0.535 1
1 1119 . 18 1 1 A 89 89 GLU HA H 89 3.914 4.492 -0.578 1
1 1124 . 18 1 1 A 89 89 GLU C C 89 176.127 176.258 -0.131 1
1 1125 . 18 1 1 A 89 89 GLU CA C 89 56.926 56.150 0.776 1
1 1126 . 18 1 1 A 89 89 GLU CB C 89 28.567 30.186 -1.619 1
1 1128 . 18 1 1 A 89 89 GLU N N 89 119.332 116.852 2.480 1
1 1129 . 18 1 1 A 90 90 ASP H H 90 7.750 8.079 -0.329 1
1 1130 . 18 1 1 A 90 90 ASP HA H 90 4.370 4.974 -0.604 1
1 1133 . 18 1 1 A 90 90 ASP C C 90 175.227 176.933 -1.706 1
1 1134 . 18 1 1 A 90 90 ASP CA C 90 53.593 55.641 -2.048 1
1 1135 . 18 1 1 A 90 90 ASP CB C 90 40.323 43.019 -2.696 1
1 1136 . 18 1 1 A 90 90 ASP N N 90 118.945 120.307 -1.362 1
1 1137 . 18 1 1 A 91 91 ASN H H 91 7.681 7.818 -0.137 1
1 1138 . 18 1 1 A 91 91 ASN HA H 91 4.495 4.850 -0.355 1
1 1143 . 18 1 1 A 91 91 ASN C C 91 173.027 174.963 -1.936 1
1 1144 . 18 1 1 A 91 91 ASN CA C 91 52.041 52.862 -0.821 1
1 1145 . 18 1 1 A 91 91 ASN CB C 91 38.072 38.354 -0.282 1
1 1146 . 18 1 1 A 91 91 ASN N N 91 118.171 116.789 1.382 1
1 10 . 19 1 1 A 2 2 GLU H H 2 8.776 7.996 0.780 1
1 11 . 19 1 1 A 2 2 GLU HA H 2 4.535 4.102 0.433 1
1 16 . 19 1 1 A 2 2 GLU C C 2 175.627 175.594 0.033 1
1 17 . 19 1 1 A 2 2 GLU CA C 2 55.573 58.468 -2.895 1
1 18 . 19 1 1 A 2 2 GLU CB C 2 30.569 28.131 2.438 1
1 20 . 19 1 1 A 2 2 GLU N N 2 124.305 118.095 6.210 1
1 21 . 19 1 1 A 3 3 THR H H 3 8.835 8.118 0.717 1
1 22 . 19 1 1 A 3 3 THR HA H 3 4.608 4.873 -0.265 1
1 27 . 19 1 1 A 3 3 THR CA C 3 59.187 58.668 0.519 1
1 28 . 19 1 1 A 3 3 THR CB C 3 67.385 69.734 -2.349 1
1 30 . 19 1 1 A 3 3 THR N N 3 116.176 114.413 1.763 1
1 31 . 19 1 1 A 4 4 PRO HA H 4 4.158 4.434 -0.276 1
1 38 . 19 1 1 A 4 4 PRO C C 4 179.327 177.753 1.574 1
1 39 . 19 1 1 A 4 4 PRO CA C 4 65.040 64.467 0.573 1
1 40 . 19 1 1 A 4 4 PRO CB C 4 30.616 31.706 -1.090 1
1 43 . 19 1 1 A 5 5 LEU H H 5 8.794 7.406 1.388 1
1 44 . 19 1 1 A 5 5 LEU HA H 5 3.944 4.011 -0.067 1
1 54 . 19 1 1 A 5 5 LEU C C 5 177.327 178.098 -0.771 1
1 55 . 19 1 1 A 5 5 LEU CA C 5 56.920 57.177 -0.257 1
1 56 . 19 1 1 A 5 5 LEU CB C 5 41.139 42.287 -1.148 1
1 60 . 19 1 1 A 5 5 LEU N N 5 118.892 118.199 0.693 1
1 61 . 19 1 1 A 6 6 GLU H H 6 7.664 7.988 -0.324 1
1 62 . 19 1 1 A 6 6 GLU HA H 6 3.744 3.936 -0.192 1
1 67 . 19 1 1 A 6 6 GLU C C 6 178.827 179.193 -0.366 1
1 68 . 19 1 1 A 6 6 GLU CA C 6 59.347 59.749 -0.402 1
1 69 . 19 1 1 A 6 6 GLU CB C 6 28.700 29.052 -0.352 1
1 71 . 19 1 1 A 6 6 GLU N N 6 118.741 119.080 -0.339 1
1 72 . 19 1 1 A 7 7 LYS H H 7 8.435 7.921 0.514 1
1 73 . 19 1 1 A 7 7 LYS HA H 7 3.909 4.274 -0.365 1
1 82 . 19 1 1 A 7 7 LYS C C 7 178.527 179.130 -0.603 1
1 83 . 19 1 1 A 7 7 LYS CA C 7 58.539 58.911 -0.372 1
1 84 . 19 1 1 A 7 7 LYS CB C 7 31.217 32.008 -0.791 1
1 88 . 19 1 1 A 7 7 LYS N N 7 119.285 118.491 0.794 1
1 89 . 19 1 1 A 8 8 ALA H H 8 8.008 7.823 0.185 1
1 90 . 19 1 1 A 8 8 ALA HA H 8 4.038 4.001 0.037 1
1 94 . 19 1 1 A 8 8 ALA C C 8 178.327 179.878 -1.551 1
1 95 . 19 1 1 A 8 8 ALA CA C 8 54.356 55.167 -0.811 1
1 96 . 19 1 1 A 8 8 ALA CB C 8 17.509 18.675 -1.166 1
1 97 . 19 1 1 A 8 8 ALA N N 8 123.866 122.190 1.676 1
1 98 . 19 1 1 A 9 9 LEU H H 9 8.163 7.893 0.270 1
1 99 . 19 1 1 A 9 9 LEU HA H 9 3.809 3.944 -0.135 1
1 109 . 19 1 1 A 9 9 LEU C C 9 178.527 179.658 -1.131 1
1 110 . 19 1 1 A 9 9 LEU CA C 9 57.256 57.963 -0.707 1
1 111 . 19 1 1 A 9 9 LEU CB C 9 40.483 42.042 -1.559 1
1 115 . 19 1 1 A 9 9 LEU N N 9 119.134 118.251 0.883 1
1 116 . 19 1 1 A 10 10 THR H H 10 8.186 7.973 0.213 1
1 117 . 19 1 1 A 10 10 THR HA H 10 3.741 4.107 -0.366 1
1 122 . 19 1 1 A 10 10 THR C C 10 176.727 176.745 -0.018 1
1 123 . 19 1 1 A 10 10 THR CA C 10 66.345 65.919 0.426 1
1 124 . 19 1 1 A 10 10 THR CB C 10 67.558 67.990 -0.432 1
1 126 . 19 1 1 A 10 10 THR N N 10 114.355 109.768 4.587 1
1 127 . 19 1 1 A 11 11 THR H H 11 8.387 8.082 0.305 1
1 128 . 19 1 1 A 11 11 THR HA H 11 3.963 4.081 -0.118 1
1 133 . 19 1 1 A 11 11 THR C C 11 176.827 176.729 0.098 1
1 134 . 19 1 1 A 11 11 THR CA C 11 65.801 65.370 0.431 1
1 135 . 19 1 1 A 11 11 THR CB C 11 67.140 68.795 -1.655 1
1 137 . 19 1 1 A 11 11 THR N N 11 120.801 117.917 2.884 1
1 138 . 19 1 1 A 12 12 MET H H 12 8.299 8.190 0.109 1
1 139 . 19 1 1 A 12 12 MET HA H 12 3.872 4.226 -0.354 1
1 147 . 19 1 1 A 12 12 MET C C 12 177.827 178.172 -0.345 1
1 148 . 19 1 1 A 12 12 MET CA C 12 59.263 58.159 1.104 1
1 149 . 19 1 1 A 12 12 MET CB C 12 31.845 32.271 -0.426 1
1 152 . 19 1 1 A 12 12 MET N N 12 124.102 121.535 2.567 1
1 153 . 19 1 1 A 13 13 VAL H H 13 7.820 8.070 -0.250 1
1 154 . 19 1 1 A 13 13 VAL HA H 13 3.937 3.965 -0.028 1
1 162 . 19 1 1 A 13 13 VAL C C 13 177.127 178.231 -1.104 1
1 163 . 19 1 1 A 13 13 VAL CA C 13 65.677 65.992 -0.315 1
1 164 . 19 1 1 A 13 13 VAL CB C 13 31.656 31.373 0.283 1
1 167 . 19 1 1 A 13 13 VAL N N 13 119.838 115.930 3.908 1
1 168 . 19 1 1 A 14 14 THR H H 14 9.107 7.951 1.156 1
1 169 . 19 1 1 A 14 14 THR HA H 14 3.654 4.078 -0.424 1
1 174 . 19 1 1 A 14 14 THR C C 14 177.527 176.343 1.184 1
1 175 . 19 1 1 A 14 14 THR CA C 14 65.273 66.199 -0.926 1
1 176 . 19 1 1 A 14 14 THR CB C 14 67.652 68.507 -0.855 1
1 178 . 19 1 1 A 14 14 THR N N 14 112.247 116.664 -4.417 1
1 179 . 19 1 1 A 15 15 THR H H 15 8.189 8.302 -0.113 1
1 180 . 19 1 1 A 15 15 THR HA H 15 3.864 4.243 -0.379 1
1 186 . 19 1 1 A 15 15 THR C C 15 173.627 176.846 -3.219 1
1 187 . 19 1 1 A 15 15 THR CA C 15 66.930 65.983 0.947 1
1 188 . 19 1 1 A 15 15 THR CB C 15 66.539 68.230 -1.691 1
1 190 . 19 1 1 A 15 15 THR N N 15 117.691 112.761 4.930 1
1 191 . 19 1 1 A 16 16 PHE H H 16 6.850 8.647 -1.797 1
1 192 . 19 1 1 A 16 16 PHE HA H 16 3.417 4.254 -0.837 1
1 199 . 19 1 1 A 16 16 PHE C C 16 175.627 177.410 -1.783 1
1 200 . 19 1 1 A 16 16 PHE CA C 16 61.577 61.591 -0.014 1
1 201 . 19 1 1 A 16 16 PHE CB C 16 38.177 39.176 -0.999 1
1 202 . 19 1 1 A 16 16 PHE N N 16 120.169 123.139 -2.970 1
1 203 . 19 1 1 A 17 17 HIS H H 17 6.924 8.600 -1.676 1
1 204 . 19 1 1 A 17 17 HIS HA H 17 4.755 4.361 0.394 1
1 207 . 19 1 1 A 17 17 HIS C C 17 176.227 177.808 -1.581 1
1 208 . 19 1 1 A 17 17 HIS CA C 17 56.810 59.773 -2.963 1
1 209 . 19 1 1 A 17 17 HIS CB C 17 29.597 29.747 -0.150 1
1 210 . 19 1 1 A 17 17 HIS N N 17 115.499 117.705 -2.206 1
1 211 . 19 1 1 A 18 18 LYS H H 18 7.888 7.916 -0.028 1
1 212 . 19 1 1 A 18 18 LYS HA H 18 3.870 4.004 -0.134 1
1 221 . 19 1 1 A 18 18 LYS C C 18 176.927 179.211 -2.284 1
1 222 . 19 1 1 A 18 18 LYS CA C 18 57.897 59.239 -1.342 1
1 223 . 19 1 1 A 18 18 LYS CB C 18 31.582 32.483 -0.901 1
1 227 . 19 1 1 A 18 18 LYS N N 18 121.217 120.282 0.935 1
1 228 . 19 1 1 A 19 19 TYR H H 19 6.928 8.622 -1.694 1
1 229 . 19 1 1 A 19 19 TYR HA H 19 4.163 4.170 -0.007 1
1 234 . 19 1 1 A 19 19 TYR C C 19 175.027 178.415 -3.388 1
1 235 . 19 1 1 A 19 19 TYR CA C 19 59.335 61.309 -1.974 1
1 236 . 19 1 1 A 19 19 TYR CB C 19 39.515 37.237 2.278 1
1 237 . 19 1 1 A 19 19 TYR N N 19 114.488 119.945 -5.457 1
1 238 . 19 1 1 A 20 20 SER H H 20 8.021 8.654 -0.633 1
1 239 . 19 1 1 A 20 20 SER HA H 20 3.105 4.278 -1.173 1
1 242 . 19 1 1 A 20 20 SER C C 20 176.527 176.912 -0.385 1
1 243 . 19 1 1 A 20 20 SER CA C 20 60.457 61.255 -0.798 1
1 244 . 19 1 1 A 20 20 SER CB C 20 60.326 62.065 -1.739 1
1 245 . 19 1 1 A 20 20 SER N N 20 112.624 115.321 -2.697 1
1 246 . 19 1 1 A 21 21 GLY H H 21 7.908 8.116 -0.208 1
1 247 . 19 1 1 A 21 21 GLY HA2 H 21 4.197 3.845 0.352 1
1 248 . 19 1 1 A 21 21 GLY HA3 H 21 3.761 3.954 -0.193 1
1 249 . 19 1 1 A 21 21 GLY C C 21 173.027 174.534 -1.507 1
1 250 . 19 1 1 A 21 21 GLY CA C 21 44.357 46.205 -1.848 1
1 251 . 19 1 1 A 21 21 GLY N N 21 112.095 109.183 2.912 1
1 252 . 19 1 1 A 22 22 ARG H H 22 7.470 7.419 0.051 1
1 253 . 19 1 1 A 22 22 ARG HA H 22 3.956 4.293 -0.337 1
1 260 . 19 1 1 A 22 22 ARG C C 22 176.327 176.552 -0.225 1
1 261 . 19 1 1 A 22 22 ARG CA C 22 58.189 55.172 3.017 1
1 262 . 19 1 1 A 22 22 ARG CB C 22 29.483 29.565 -0.082 1
1 265 . 19 1 1 A 22 22 ARG N N 22 122.481 119.888 2.593 1
1 266 . 19 1 1 A 23 23 GLU H H 23 9.412 9.211 0.201 1
1 267 . 19 1 1 A 23 23 GLU HA H 23 4.626 4.209 0.417 1
1 272 . 19 1 1 A 23 23 GLU C C 23 175.027 176.170 -1.143 1
1 273 . 19 1 1 A 23 23 GLU CA C 23 53.319 58.559 -5.240 1
1 274 . 19 1 1 A 23 23 GLU CB C 23 32.032 28.507 3.525 1
1 276 . 19 1 1 A 23 23 GLU N N 23 116.123 123.066 -6.943 1
1 277 . 19 1 1 A 24 24 GLY H H 24 9.080 8.565 0.515 1
1 278 . 19 1 1 A 24 24 GLY HA2 H 24 3.694 3.737 -0.043 1
1 279 . 19 1 1 A 24 24 GLY HA3 H 24 3.878 3.859 0.019 1
1 280 . 19 1 1 A 24 24 GLY C C 24 172.827 174.274 -1.447 1
1 281 . 19 1 1 A 24 24 GLY CA C 24 44.707 46.430 -1.723 1
1 282 . 19 1 1 A 24 24 GLY N N 24 114.015 110.280 3.735 1
1 283 . 19 1 1 A 25 25 SER H H 25 8.465 8.334 0.131 1
1 284 . 19 1 1 A 25 25 SER HA H 25 4.312 4.415 -0.103 1
1 287 . 19 1 1 A 25 25 SER C C 25 178.027 176.599 1.428 1
1 288 . 19 1 1 A 25 25 SER CA C 25 57.478 58.557 -1.079 1
1 289 . 19 1 1 A 25 25 SER CB C 25 61.941 63.696 -1.755 1
1 290 . 19 1 1 A 25 25 SER N N 25 117.299 120.012 -2.713 1
1 291 . 19 1 1 A 26 26 LYS H H 26 9.532 8.708 0.824 1
1 292 . 19 1 1 A 26 26 LYS HA H 26 4.660 4.347 0.313 1
1 301 . 19 1 1 A 26 26 LYS C C 26 176.127 175.651 0.476 1
1 302 . 19 1 1 A 26 26 LYS CA C 26 56.928 57.782 -0.854 1
1 303 . 19 1 1 A 26 26 LYS CB C 26 30.526 31.849 -1.323 1
1 307 . 19 1 1 A 26 26 LYS N N 26 131.209 124.123 7.086 1
1 308 . 19 1 1 A 27 27 LEU H H 27 8.643 7.411 1.232 1
1 309 . 19 1 1 A 27 27 LEU HA H 27 4.583 4.523 0.060 1
1 319 . 19 1 1 A 27 27 LEU C C 27 174.827 176.606 -1.779 1
1 320 . 19 1 1 A 27 27 LEU CA C 27 53.205 55.894 -2.689 1
1 321 . 19 1 1 A 27 27 LEU CB C 27 41.824 44.661 -2.837 1
1 325 . 19 1 1 A 27 27 LEU N N 27 118.729 118.289 0.440 1
1 326 . 19 1 1 A 28 28 THR H H 28 7.037 7.571 -0.534 1
1 327 . 19 1 1 A 28 28 THR HA H 28 5.168 4.807 0.361 1
1 332 . 19 1 1 A 28 28 THR C C 28 172.727 174.015 -1.288 1
1 333 . 19 1 1 A 28 28 THR CA C 28 57.915 59.569 -1.654 1
1 334 . 19 1 1 A 28 28 THR CB C 28 71.934 71.234 0.700 1
1 336 . 19 1 1 A 28 28 THR N N 28 104.663 110.791 -6.128 1
1 337 . 19 1 1 A 29 29 LEU H H 29 9.517 8.814 0.703 1
1 338 . 19 1 1 A 29 29 LEU HA H 29 5.196 4.795 0.401 1
1 348 . 19 1 1 A 29 29 LEU C C 29 175.527 176.337 -0.810 1
1 349 . 19 1 1 A 29 29 LEU CA C 29 51.653 54.036 -2.383 1
1 350 . 19 1 1 A 29 29 LEU CB C 29 42.301 41.752 0.549 1
1 354 . 19 1 1 A 29 29 LEU N N 29 125.388 123.259 2.129 1
1 355 . 19 1 1 A 30 30 SER H H 30 10.053 8.780 1.273 1
1 356 . 19 1 1 A 30 30 SER HA H 30 4.475 4.626 -0.151 1
1 359 . 19 1 1 A 30 30 SER C C 30 173.427 175.553 -2.126 1
1 360 . 19 1 1 A 30 30 SER CA C 30 55.011 58.398 -3.387 1
1 361 . 19 1 1 A 30 30 SER CB C 30 64.446 63.955 0.491 1
1 362 . 19 1 1 A 30 30 SER N N 30 121.114 120.740 0.374 1
1 363 . 19 1 1 A 31 31 ARG H H 31 8.992 8.668 0.324 1
1 364 . 19 1 1 A 31 31 ARG HA H 31 3.923 3.891 0.032 1
1 371 . 19 1 1 A 31 31 ARG C C 31 177.027 177.584 -0.557 1
1 372 . 19 1 1 A 31 31 ARG CA C 31 59.408 59.755 -0.347 1
1 373 . 19 1 1 A 31 31 ARG CB C 31 29.041 29.964 -0.923 1
1 376 . 19 1 1 A 31 31 ARG N N 31 120.513 126.273 -5.760 1
1 377 . 19 1 1 A 32 32 LYS H H 32 7.845 7.872 -0.027 1
1 378 . 19 1 1 A 32 32 LYS HA H 32 3.826 4.046 -0.220 1
1 387 . 19 1 1 A 32 32 LYS C C 32 178.927 179.202 -0.275 1
1 388 . 19 1 1 A 32 32 LYS CA C 32 58.677 59.322 -0.645 1
1 389 . 19 1 1 A 32 32 LYS CB C 32 31.964 31.917 0.047 1
1 393 . 19 1 1 A 32 32 LYS N N 32 117.011 118.787 -1.776 1
1 394 . 19 1 1 A 33 33 GLU H H 33 7.612 8.173 -0.561 1
1 395 . 19 1 1 A 33 33 GLU HA H 33 3.954 4.118 -0.164 1
1 400 . 19 1 1 A 33 33 GLU C C 33 177.227 178.865 -1.638 1
1 401 . 19 1 1 A 33 33 GLU CA C 33 58.289 58.941 -0.652 1
1 402 . 19 1 1 A 33 33 GLU CB C 33 29.757 29.613 0.144 1
1 404 . 19 1 1 A 33 33 GLU N N 33 120.815 119.994 0.821 1
1 405 . 19 1 1 A 34 34 LEU H H 34 8.694 8.120 0.574 1
1 406 . 19 1 1 A 34 34 LEU HA H 34 3.811 3.923 -0.112 1
1 416 . 19 1 1 A 34 34 LEU C C 34 176.927 178.461 -1.534 1
1 417 . 19 1 1 A 34 34 LEU CA C 34 57.025 58.093 -1.068 1
1 418 . 19 1 1 A 34 34 LEU CB C 34 40.638 41.486 -0.848 1
1 422 . 19 1 1 A 34 34 LEU N N 34 119.291 121.694 -2.403 1
1 423 . 19 1 1 A 35 35 LYS H H 35 8.114 8.169 -0.055 1
1 424 . 19 1 1 A 35 35 LYS HA H 35 3.569 3.880 -0.311 1
1 433 . 19 1 1 A 35 35 LYS C C 35 177.027 178.886 -1.859 1
1 434 . 19 1 1 A 35 35 LYS CA C 35 59.419 59.940 -0.521 1
1 435 . 19 1 1 A 35 35 LYS CB C 35 31.271 32.253 -0.982 1
1 439 . 19 1 1 A 35 35 LYS N N 35 117.277 118.916 -1.639 1
1 440 . 19 1 1 A 36 36 GLU H H 36 7.560 8.040 -0.480 1
1 441 . 19 1 1 A 36 36 GLU HA H 36 3.845 4.096 -0.251 1
1 446 . 19 1 1 A 36 36 GLU C C 36 175.827 178.836 -3.009 1
1 447 . 19 1 1 A 36 36 GLU CA C 36 58.190 59.077 -0.887 1
1 448 . 19 1 1 A 36 36 GLU CB C 36 28.253 29.453 -1.200 1
1 450 . 19 1 1 A 36 36 GLU N N 36 119.302 119.193 0.109 1
1 451 . 19 1 1 A 37 37 LEU H H 37 7.682 7.782 -0.100 1
1 452 . 19 1 1 A 37 37 LEU HA H 37 2.280 3.885 -1.605 1
1 462 . 19 1 1 A 37 37 LEU C C 37 178.327 178.449 -0.122 1
1 463 . 19 1 1 A 37 37 LEU CA C 37 58.225 58.044 0.181 1
1 464 . 19 1 1 A 37 37 LEU CB C 37 41.090 41.707 -0.617 1
1 468 . 19 1 1 A 37 37 LEU N N 37 121.690 120.506 1.184 1
1 469 . 19 1 1 A 38 38 ILE H H 38 8.157 8.356 -0.199 1
1 470 . 19 1 1 A 38 38 ILE HA H 38 3.292 3.624 -0.332 1
1 480 . 19 1 1 A 38 38 ILE C C 38 177.027 178.152 -1.125 1
1 481 . 19 1 1 A 38 38 ILE CA C 38 65.007 65.722 -0.715 1
1 482 . 19 1 1 A 38 38 ILE CB C 38 37.187 37.824 -0.637 1
1 486 . 19 1 1 A 38 38 ILE N N 38 117.626 120.062 -2.436 1
1 487 . 19 1 1 A 39 39 LYS H H 39 8.068 8.070 -0.002 1
1 488 . 19 1 1 A 39 39 LYS HA H 39 3.876 4.222 -0.346 1
1 497 . 19 1 1 A 39 39 LYS C C 39 177.927 178.169 -0.242 1
1 498 . 19 1 1 A 39 39 LYS CA C 39 58.204 58.504 -0.300 1
1 499 . 19 1 1 A 39 39 LYS CB C 39 31.731 32.305 -0.574 1
1 503 . 19 1 1 A 39 39 LYS N N 39 117.909 120.035 -2.126 1
1 504 . 19 1 1 A 40 40 LYS H H 40 8.094 7.633 0.461 1
1 505 . 19 1 1 A 40 40 LYS HA H 40 4.248 4.323 -0.075 1
1 514 . 19 1 1 A 40 40 LYS C C 40 178.227 178.869 -0.642 1
1 515 . 19 1 1 A 40 40 LYS CA C 40 56.291 57.951 -1.660 1
1 516 . 19 1 1 A 40 40 LYS CB C 40 32.652 33.312 -0.660 1
1 520 . 19 1 1 A 40 40 LYS N N 40 114.323 118.019 -3.696 1
1 521 . 19 1 1 A 41 41 GLU H H 41 8.381 8.312 0.069 1
1 522 . 19 1 1 A 41 41 GLU HA H 41 4.744 4.160 0.584 1
1 527 . 19 1 1 A 41 41 GLU C C 41 176.227 177.360 -1.133 1
1 528 . 19 1 1 A 41 41 GLU CA C 41 55.054 58.926 -3.872 1
1 529 . 19 1 1 A 41 41 GLU CB C 41 29.598 30.118 -0.520 1
1 531 . 19 1 1 A 41 41 GLU N N 41 113.079 119.715 -6.636 1
1 532 . 19 1 1 A 42 42 LEU H H 42 7.544 8.032 -0.488 1
1 533 . 19 1 1 A 42 42 LEU HA H 42 4.754 4.546 0.208 1
1 542 . 19 1 1 A 42 42 LEU CA C 42 52.564 53.987 -1.423 1
1 543 . 19 1 1 A 42 42 LEU CB C 42 43.848 39.988 3.860 1
1 546 . 19 1 1 A 42 42 LEU N N 42 118.458 119.157 -0.699 1
1 547 . 19 1 1 A 43 43 CYS H H 43 8.342 8.464 -0.122 1
1 548 . 19 1 1 A 43 43 CYS HA H 43 4.486 4.714 -0.228 1
1 551 . 19 1 1 A 43 43 CYS C C 43 174.327 175.129 -0.802 1
1 552 . 19 1 1 A 43 43 CYS CA C 43 57.655 59.572 -1.917 1
1 553 . 19 1 1 A 43 43 CYS CB C 43 25.653 27.605 -1.952 1
1 554 . 19 1 1 A 44 44 LEU H H 44 8.123 7.339 0.784 1
1 555 . 19 1 1 A 44 44 LEU HA H 44 4.339 4.306 0.033 1
1 565 . 19 1 1 A 44 44 LEU C C 44 176.927 178.633 -1.706 1
1 566 . 19 1 1 A 44 44 LEU CA C 44 53.750 55.601 -1.851 1
1 567 . 19 1 1 A 44 44 LEU CB C 44 40.784 42.362 -1.578 1
1 571 . 19 1 1 A 44 44 LEU N N 44 121.974 123.025 -1.051 1
1 572 . 19 1 1 A 45 45 GLY H H 45 8.072 8.789 -0.717 1
1 573 . 19 1 1 A 45 45 GLY HA2 H 45 3.889 3.718 0.171 1
1 574 . 19 1 1 A 45 45 GLY HA3 H 45 3.698 3.875 -0.177 1
1 575 . 19 1 1 A 45 45 GLY C C 45 173.127 175.951 -2.824 1
1 576 . 19 1 1 A 45 45 GLY CA C 45 44.291 46.430 -2.139 1
1 577 . 19 1 1 A 45 45 GLY N N 45 107.819 112.454 -4.635 1
1 578 . 19 1 1 A 46 46 GLU H H 46 8.472 7.911 0.561 1
1 579 . 19 1 1 A 46 46 GLU HA H 46 4.048 4.133 -0.085 1
1 584 . 19 1 1 A 46 46 GLU C C 46 175.727 177.677 -1.950 1
1 585 . 19 1 1 A 46 46 GLU CA C 46 56.461 59.285 -2.824 1
1 586 . 19 1 1 A 46 46 GLU CB C 46 28.208 29.527 -1.319 1
1 588 . 19 1 1 A 46 46 GLU N N 46 120.563 119.569 0.994 1
1 589 . 19 1 1 A 47 47 MET H H 47 8.189 7.924 0.265 1
1 590 . 19 1 1 A 47 47 MET HA H 47 4.413 4.612 -0.199 1
1 598 . 19 1 1 A 47 47 MET C C 47 175.027 175.174 -0.147 1
1 599 . 19 1 1 A 47 47 MET CA C 47 53.905 54.112 -0.207 1
1 600 . 19 1 1 A 47 47 MET CB C 47 32.611 30.980 1.631 1
1 603 . 19 1 1 A 47 47 MET N N 47 123.201 119.363 3.838 1
1 604 . 19 1 1 A 48 48 LYS H H 48 8.355 8.012 0.343 1
1 605 . 19 1 1 A 48 48 LYS HA H 48 4.237 4.674 -0.437 1
1 614 . 19 1 1 A 48 48 LYS C C 48 177.027 177.749 -0.722 1
1 615 . 19 1 1 A 48 48 LYS CA C 48 55.443 54.593 0.850 1
1 616 . 19 1 1 A 48 48 LYS CB C 48 32.173 34.712 -2.539 1
1 620 . 19 1 1 A 48 48 LYS N N 48 123.046 124.484 -1.438 1
1 621 . 19 1 1 A 49 49 GLU H H 49 8.742 8.927 -0.185 1
1 622 . 19 1 1 A 49 49 GLU HA H 49 3.884 3.974 -0.090 1
1 627 . 19 1 1 A 49 49 GLU C C 49 177.727 178.434 -0.707 1
1 628 . 19 1 1 A 49 49 GLU CA C 49 58.534 59.944 -1.410 1
1 629 . 19 1 1 A 49 49 GLU CB C 49 27.870 29.212 -1.342 1
1 631 . 19 1 1 A 49 49 GLU N N 49 122.407 122.054 0.353 1
1 632 . 19 1 1 A 50 50 SER H H 50 8.324 8.049 0.275 1
1 633 . 19 1 1 A 50 50 SER HA H 50 4.188 4.332 -0.144 1
1 636 . 19 1 1 A 50 50 SER C C 50 175.427 175.406 0.021 1
1 637 . 19 1 1 A 50 50 SER CA C 50 59.402 60.040 -0.638 1
1 638 . 19 1 1 A 50 50 SER CB C 50 61.442 62.573 -1.131 1
1 639 . 19 1 1 A 50 50 SER N N 50 112.475 115.734 -3.259 1
1 640 . 19 1 1 A 51 51 SER H H 51 7.400 8.028 -0.628 1
1 641 . 19 1 1 A 51 51 SER HA H 51 3.926 4.533 -0.607 1
1 644 . 19 1 1 A 51 51 SER C C 51 176.027 175.654 0.373 1
1 645 . 19 1 1 A 51 51 SER CA C 51 59.762 61.169 -1.407 1
1 646 . 19 1 1 A 51 51 SER CB C 51 60.955 63.727 -2.772 1
1 647 . 19 1 1 A 51 51 SER N N 51 118.432 115.250 3.182 1
1 648 . 19 1 1 A 52 52 ILE H H 52 7.790 8.087 -0.297 1
1 649 . 19 1 1 A 52 52 ILE HA H 52 3.642 3.662 -0.020 1
1 659 . 19 1 1 A 52 52 ILE C C 52 176.427 177.642 -1.215 1
1 660 . 19 1 1 A 52 52 ILE CA C 52 61.984 65.024 -3.040 1
1 661 . 19 1 1 A 52 52 ILE CB C 52 34.990 36.993 -2.003 1
1 665 . 19 1 1 A 52 52 ILE N N 52 123.838 121.514 2.324 1
1 666 . 19 1 1 A 53 53 ASP H H 53 8.092 8.244 -0.152 1
1 667 . 19 1 1 A 53 53 ASP HA H 53 4.225 4.353 -0.128 1
1 670 . 19 1 1 A 53 53 ASP C C 53 178.227 177.593 0.634 1
1 671 . 19 1 1 A 53 53 ASP CA C 53 56.606 57.533 -0.927 1
1 672 . 19 1 1 A 53 53 ASP CB C 53 39.034 41.051 -2.017 1
1 673 . 19 1 1 A 53 53 ASP N N 53 121.313 122.099 -0.786 1
1 674 . 19 1 1 A 54 54 ASP H H 54 7.811 7.748 0.063 1
1 675 . 19 1 1 A 54 54 ASP HA H 54 4.253 4.456 -0.203 1
1 678 . 19 1 1 A 54 54 ASP C C 54 177.927 178.113 -0.186 1
1 679 . 19 1 1 A 54 54 ASP CA C 54 56.467 56.629 -0.162 1
1 680 . 19 1 1 A 54 54 ASP CB C 54 39.401 40.659 -1.258 1
1 681 . 19 1 1 A 54 54 ASP N N 54 120.122 119.617 0.505 1
1 682 . 19 1 1 A 55 55 LEU H H 55 7.789 7.733 0.056 1
1 683 . 19 1 1 A 55 55 LEU HA H 55 3.979 4.086 -0.107 1
1 693 . 19 1 1 A 55 55 LEU C C 55 178.027 178.509 -0.482 1
1 694 . 19 1 1 A 55 55 LEU CA C 55 56.713 58.230 -1.517 1
1 695 . 19 1 1 A 55 55 LEU CB C 55 40.799 41.396 -0.597 1
1 699 . 19 1 1 A 55 55 LEU N N 55 122.944 120.673 2.271 1
1 700 . 19 1 1 A 56 56 MET H H 56 8.601 8.503 0.098 1
1 701 . 19 1 1 A 56 56 MET HA H 56 3.827 4.021 -0.194 1
1 709 . 19 1 1 A 56 56 MET C C 56 177.027 177.973 -0.946 1
1 710 . 19 1 1 A 56 56 MET CA C 56 57.116 58.670 -1.554 1
1 711 . 19 1 1 A 56 56 MET CB C 56 29.825 31.765 -1.940 1
1 714 . 19 1 1 A 56 56 MET N N 56 117.863 118.997 -1.134 1
1 715 . 19 1 1 A 57 57 LYS H H 57 7.693 7.808 -0.115 1
1 716 . 19 1 1 A 57 57 LYS HA H 57 3.954 4.099 -0.145 1
1 725 . 19 1 1 A 57 57 LYS C C 57 178.127 178.543 -0.416 1
1 726 . 19 1 1 A 57 57 LYS CA C 57 58.352 58.958 -0.606 1
1 727 . 19 1 1 A 57 57 LYS CB C 57 31.315 32.104 -0.789 1
1 731 . 19 1 1 A 57 57 LYS N N 57 116.455 119.885 -3.430 1
1 732 . 19 1 1 A 58 58 SER H H 58 7.661 8.242 -0.581 1
1 733 . 19 1 1 A 58 58 SER HA H 58 4.115 4.376 -0.261 1
1 736 . 19 1 1 A 58 58 SER C C 58 174.827 176.695 -1.868 1
1 737 . 19 1 1 A 58 58 SER CA C 58 59.986 61.413 -1.427 1
1 738 . 19 1 1 A 58 58 SER CB C 58 62.464 63.291 -0.827 1
1 739 . 19 1 1 A 58 58 SER N N 58 113.020 117.087 -4.067 1
1 740 . 19 1 1 A 59 59 LEU H H 59 7.917 7.406 0.511 1
1 741 . 19 1 1 A 59 59 LEU HA H 59 4.269 4.203 0.066 1
1 751 . 19 1 1 A 59 59 LEU C C 59 177.627 177.238 0.389 1
1 752 . 19 1 1 A 59 59 LEU CA C 59 54.402 57.953 -3.551 1
1 753 . 19 1 1 A 59 59 LEU CB C 59 43.731 41.772 1.959 1
1 757 . 19 1 1 A 59 59 LEU N N 59 117.463 119.309 -1.846 1
1 758 . 19 1 1 A 60 60 ASP H H 60 8.025 7.699 0.326 1
1 759 . 19 1 1 A 60 60 ASP HA H 60 4.566 4.745 -0.179 1
1 762 . 19 1 1 A 60 60 ASP C C 60 176.627 176.430 0.197 1
1 763 . 19 1 1 A 60 60 ASP CA C 60 52.335 54.529 -2.194 1
1 764 . 19 1 1 A 60 60 ASP CB C 60 38.139 42.222 -4.083 1
1 765 . 19 1 1 A 60 60 ASP N N 60 117.588 118.105 -0.517 1
1 766 . 19 1 1 A 61 61 LYS H H 61 8.100 8.719 -0.619 1
1 767 . 19 1 1 A 61 61 LYS HA H 61 4.035 4.574 -0.539 1
1 776 . 19 1 1 A 61 61 LYS C C 61 176.727 176.877 -0.150 1
1 777 . 19 1 1 A 61 61 LYS CA C 61 56.887 56.083 0.804 1
1 778 . 19 1 1 A 61 61 LYS CB C 61 31.653 32.538 -0.885 1
1 782 . 19 1 1 A 61 61 LYS N N 61 126.943 125.704 1.239 1
1 783 . 19 1 1 A 62 62 ASN H H 62 7.864 8.001 -0.137 1
1 784 . 19 1 1 A 62 62 ASN HA H 62 4.759 4.872 -0.113 1
1 789 . 19 1 1 A 62 62 ASN C C 62 173.727 174.807 -1.080 1
1 790 . 19 1 1 A 62 62 ASN CA C 62 50.660 52.963 -2.303 1
1 791 . 19 1 1 A 62 62 ASN CB C 62 35.920 40.567 -4.647 1
1 792 . 19 1 1 A 62 62 ASN N N 62 113.588 115.403 -1.815 1
1 794 . 19 1 1 A 63 63 SER H H 63 7.613 8.699 -1.086 1
1 795 . 19 1 1 A 63 63 SER HA H 63 3.962 4.242 -0.280 1
1 798 . 19 1 1 A 63 63 SER C C 63 172.927 173.987 -1.060 1
1 799 . 19 1 1 A 63 63 SER CA C 63 58.262 59.275 -1.013 1
1 800 . 19 1 1 A 63 63 SER CB C 63 60.708 61.219 -0.511 1
1 801 . 19 1 1 A 63 63 SER N N 63 111.592 112.699 -1.107 1
1 802 . 19 1 1 A 64 64 ASP H H 64 8.217 7.959 0.258 1
1 803 . 19 1 1 A 64 64 ASP HA H 64 4.653 4.516 0.137 1
1 806 . 19 1 1 A 64 64 ASP C C 64 175.927 176.886 -0.959 1
1 807 . 19 1 1 A 64 64 ASP CA C 64 51.641 54.084 -2.443 1
1 808 . 19 1 1 A 64 64 ASP CB C 64 39.385 41.599 -2.214 1
1 809 . 19 1 1 A 64 64 ASP N N 64 118.913 119.204 -0.291 1
1 810 . 19 1 1 A 65 65 GLN H H 65 10.239 7.931 2.308 1
1 811 . 19 1 1 A 65 65 GLN HA H 65 3.356 3.923 -0.567 1
1 818 . 19 1 1 A 65 65 GLN C C 65 172.627 174.236 -1.609 1
1 819 . 19 1 1 A 65 65 GLN CA C 65 56.325 57.618 -1.293 1
1 820 . 19 1 1 A 65 65 GLN CB C 65 24.910 26.706 -1.796 1
1 822 . 19 1 1 A 65 65 GLN N N 65 114.908 115.422 -0.514 1
1 824 . 19 1 1 A 66 66 GLU H H 66 7.710 8.028 -0.318 1
1 825 . 19 1 1 A 66 66 GLU HA H 66 4.691 4.791 -0.100 1
1 830 . 19 1 1 A 66 66 GLU C C 66 174.127 175.516 -1.389 1
1 831 . 19 1 1 A 66 66 GLU CA C 66 52.987 54.974 -1.987 1
1 832 . 19 1 1 A 66 66 GLU CB C 66 32.433 32.100 0.333 1
1 834 . 19 1 1 A 66 66 GLU N N 66 115.721 118.841 -3.120 1
1 835 . 19 1 1 A 67 67 ILE H H 67 9.938 8.658 1.280 1
1 836 . 19 1 1 A 67 67 ILE HA H 67 5.291 4.474 0.817 1
1 846 . 19 1 1 A 67 67 ILE C C 67 175.627 175.585 0.042 1
1 847 . 19 1 1 A 67 67 ILE CA C 67 56.241 61.098 -4.857 1
1 848 . 19 1 1 A 67 67 ILE CB C 67 35.492 37.624 -2.132 1
1 852 . 19 1 1 A 67 67 ILE N N 67 125.901 125.805 0.096 1
1 853 . 19 1 1 A 68 68 ASP H H 68 8.794 9.047 -0.253 1
1 854 . 19 1 1 A 68 68 ASP HA H 68 5.002 4.709 0.293 1
1 857 . 19 1 1 A 68 68 ASP C C 68 174.427 177.704 -3.277 1
1 858 . 19 1 1 A 68 68 ASP CA C 68 51.563 54.865 -3.302 1
1 859 . 19 1 1 A 68 68 ASP CB C 68 40.493 41.475 -0.982 1
1 860 . 19 1 1 A 68 68 ASP N N 68 127.844 128.735 -0.891 1
1 861 . 19 1 1 A 69 69 PHE H H 69 9.068 9.441 -0.373 1
1 862 . 19 1 1 A 69 69 PHE HA H 69 3.130 3.963 -0.833 1
1 869 . 19 1 1 A 69 69 PHE C C 69 176.827 177.015 -0.188 1
1 870 . 19 1 1 A 69 69 PHE CA C 69 62.478 61.906 0.572 1
1 871 . 19 1 1 A 69 69 PHE CB C 69 38.096 39.668 -1.572 1
1 872 . 19 1 1 A 69 69 PHE N N 69 118.955 123.386 -4.431 1
1 873 . 19 1 1 A 70 70 LYS H H 70 8.123 8.109 0.014 1
1 874 . 19 1 1 A 70 70 LYS HA H 70 3.871 3.979 -0.108 1
1 883 . 19 1 1 A 70 70 LYS C C 70 179.527 179.426 0.101 1
1 884 . 19 1 1 A 70 70 LYS CA C 70 59.457 59.928 -0.471 1
1 885 . 19 1 1 A 70 70 LYS CB C 70 30.772 32.423 -1.651 1
1 889 . 19 1 1 A 70 70 LYS N N 70 120.287 117.728 2.559 1
1 890 . 19 1 1 A 71 71 GLU H H 71 8.746 8.050 0.696 1
1 891 . 19 1 1 A 71 71 GLU HA H 71 4.099 4.088 0.011 1
1 896 . 19 1 1 A 71 71 GLU C C 71 179.127 178.956 0.171 1
1 897 . 19 1 1 A 71 71 GLU CA C 71 57.934 58.924 -0.990 1
1 898 . 19 1 1 A 71 71 GLU CB C 71 29.266 29.659 -0.393 1
1 900 . 19 1 1 A 71 71 GLU N N 71 122.207 119.175 3.032 1
1 901 . 19 1 1 A 72 72 TYR H H 72 8.879 8.403 0.476 1
1 902 . 19 1 1 A 72 72 TYR HA H 72 4.010 4.197 -0.187 1
1 909 . 19 1 1 A 72 72 TYR C C 72 175.927 177.754 -1.827 1
1 910 . 19 1 1 A 72 72 TYR CA C 72 58.551 61.603 -3.052 1
1 911 . 19 1 1 A 72 72 TYR CB C 72 38.072 38.376 -0.304 1
1 912 . 19 1 1 A 72 72 TYR N N 72 121.813 122.503 -0.690 1
1 913 . 19 1 1 A 73 73 SER H H 73 8.414 7.970 0.444 1
1 914 . 19 1 1 A 73 73 SER HA H 73 3.462 4.159 -0.697 1
1 917 . 19 1 1 A 73 73 SER C C 73 175.127 177.350 -2.223 1
1 918 . 19 1 1 A 73 73 SER CA C 73 61.876 61.250 0.626 1
1 919 . 19 1 1 A 73 73 SER CB C 73 61.327 62.379 -1.052 1
1 920 . 19 1 1 A 73 73 SER N N 73 117.840 114.439 3.401 1
1 921 . 19 1 1 A 74 74 VAL H H 74 7.363 8.160 -0.797 1
1 922 . 19 1 1 A 74 74 VAL HA H 74 3.584 3.620 -0.036 1
1 930 . 19 1 1 A 74 74 VAL C C 74 178.027 178.364 -0.337 1
1 931 . 19 1 1 A 74 74 VAL CA C 74 65.397 66.333 -0.936 1
1 932 . 19 1 1 A 74 74 VAL CB C 74 30.300 31.673 -1.373 1
1 935 . 19 1 1 A 74 74 VAL N N 74 123.439 122.951 0.488 1
1 936 . 19 1 1 A 75 75 PHE H H 75 7.282 8.315 -1.033 1
1 937 . 19 1 1 A 75 75 PHE HA H 75 4.562 4.007 0.555 1
1 945 . 19 1 1 A 75 75 PHE C C 75 176.127 176.810 -0.683 1
1 946 . 19 1 1 A 75 75 PHE CA C 75 57.851 61.283 -3.432 1
1 947 . 19 1 1 A 75 75 PHE CB C 75 36.863 39.134 -2.271 1
1 948 . 19 1 1 A 75 75 PHE N N 75 122.766 120.624 2.142 1
1 949 . 19 1 1 A 76 76 LEU H H 76 7.823 8.146 -0.323 1
1 950 . 19 1 1 A 76 76 LEU HA H 76 3.445 3.449 -0.004 1
1 960 . 19 1 1 A 76 76 LEU C C 76 178.927 179.397 -0.470 1
1 961 . 19 1 1 A 76 76 LEU CA C 76 56.891 57.498 -0.607 1
1 962 . 19 1 1 A 76 76 LEU CB C 76 39.917 41.003 -1.086 1
1 966 . 19 1 1 A 76 76 LEU N N 76 115.619 118.544 -2.925 1
1 967 . 19 1 1 A 77 77 THR H H 77 7.858 8.171 -0.313 1
1 968 . 19 1 1 A 77 77 THR HA H 77 3.665 3.834 -0.169 1
1 974 . 19 1 1 A 77 77 THR C C 77 175.427 176.555 -1.128 1
1 975 . 19 1 1 A 77 77 THR CA C 77 66.127 66.330 -0.203 1
1 976 . 19 1 1 A 77 77 THR CB C 77 67.585 68.096 -0.511 1
1 978 . 19 1 1 A 77 77 THR N N 77 113.417 115.759 -2.342 1
1 979 . 19 1 1 A 78 78 MET H H 78 7.970 8.036 -0.066 1
1 980 . 19 1 1 A 78 78 MET HA H 78 3.935 4.010 -0.075 1
1 988 . 19 1 1 A 78 78 MET C C 78 179.127 178.906 0.221 1
1 989 . 19 1 1 A 78 78 MET CA C 78 58.780 58.795 -0.015 1
1 990 . 19 1 1 A 78 78 MET CB C 78 31.501 32.959 -1.458 1
1 993 . 19 1 1 A 78 78 MET N N 78 122.745 118.552 4.193 1
1 994 . 19 1 1 A 79 79 LEU H H 79 7.898 7.820 0.078 1
1 995 . 19 1 1 A 79 79 LEU HA H 79 3.870 4.074 -0.204 1
1 1005 . 19 1 1 A 79 79 LEU C C 79 178.427 179.288 -0.861 1
1 1006 . 19 1 1 A 79 79 LEU CA C 79 56.843 57.691 -0.848 1
1 1007 . 19 1 1 A 79 79 LEU CB C 79 41.099 40.900 0.199 1
1 1011 . 19 1 1 A 79 79 LEU N N 79 120.989 119.791 1.198 1
1 1012 . 19 1 1 A 80 80 CYS H H 80 8.400 8.362 0.038 1
1 1013 . 19 1 1 A 80 80 CYS HA H 80 3.830 4.085 -0.255 1
1 1017 . 19 1 1 A 80 80 CYS C C 80 175.927 177.557 -1.630 1
1 1018 . 19 1 1 A 80 80 CYS CA C 80 64.044 61.796 2.248 1
1 1019 . 19 1 1 A 80 80 CYS CB C 80 25.626 27.278 -1.652 1
1 1020 . 19 1 1 A 80 80 CYS N N 80 117.746 118.415 -0.669 1
1 1021 . 19 1 1 A 81 81 MET H H 81 8.295 8.326 -0.031 1
1 1022 . 19 1 1 A 81 81 MET HA H 81 4.023 4.214 -0.191 1
1 1030 . 19 1 1 A 81 81 MET C C 81 177.327 178.167 -0.840 1
1 1031 . 19 1 1 A 81 81 MET CA C 81 57.601 59.014 -1.413 1
1 1032 . 19 1 1 A 81 81 MET CB C 81 30.668 32.690 -2.022 1
1 1035 . 19 1 1 A 81 81 MET N N 81 117.598 119.116 -1.518 1
1 1036 . 19 1 1 A 82 82 ALA H H 82 7.624 8.047 -0.423 1
1 1037 . 19 1 1 A 82 82 ALA HA H 82 4.061 4.107 -0.046 1
1 1041 . 19 1 1 A 82 82 ALA C C 82 179.627 179.448 0.179 1
1 1042 . 19 1 1 A 82 82 ALA CA C 82 53.856 55.347 -1.491 1
1 1043 . 19 1 1 A 82 82 ALA CB C 82 16.794 18.588 -1.794 1
1 1044 . 19 1 1 A 82 82 ALA N N 82 121.886 121.572 0.314 1
1 1045 . 19 1 1 A 83 83 TYR H H 83 8.476 8.153 0.323 1
1 1046 . 19 1 1 A 83 83 TYR HA H 83 4.147 4.356 -0.209 1
1 1053 . 19 1 1 A 83 83 TYR C C 83 178.127 178.154 -0.027 1
1 1054 . 19 1 1 A 83 83 TYR CA C 83 60.066 61.272 -1.206 1
1 1055 . 19 1 1 A 83 83 TYR CB C 83 36.546 37.302 -0.756 1
1 1056 . 19 1 1 A 83 83 TYR N N 83 119.136 116.494 2.642 1
1 1057 . 19 1 1 A 84 84 ASN H H 84 8.386 8.377 0.009 1
1 1058 . 19 1 1 A 84 84 ASN HA H 84 4.221 4.532 -0.311 1
1 1063 . 19 1 1 A 84 84 ASN C C 84 175.427 177.310 -1.883 1
1 1064 . 19 1 1 A 84 84 ASN CA C 84 56.123 56.732 -0.609 1
1 1065 . 19 1 1 A 84 84 ASN CB C 84 37.387 38.739 -1.352 1
1 1066 . 19 1 1 A 84 84 ASN N N 84 120.692 120.059 0.633 1
1 1068 . 19 1 1 A 85 85 ASP H H 85 7.611 7.745 -0.134 1
1 1069 . 19 1 1 A 85 85 ASP HA H 85 4.234 4.313 -0.079 1
1 1072 . 19 1 1 A 85 85 ASP C C 85 178.227 178.300 -0.073 1
1 1073 . 19 1 1 A 85 85 ASP CA C 85 56.752 57.398 -0.646 1
1 1074 . 19 1 1 A 85 85 ASP CB C 85 38.688 41.704 -3.016 1
1 1075 . 19 1 1 A 85 85 ASP N N 85 118.378 119.254 -0.876 1
1 1076 . 19 1 1 A 86 86 PHE H H 86 7.538 7.898 -0.360 1
1 1077 . 19 1 1 A 86 86 PHE HA H 86 4.291 4.111 0.180 1
1 1084 . 19 1 1 A 86 86 PHE C C 86 176.627 178.182 -1.555 1
1 1085 . 19 1 1 A 86 86 PHE CA C 86 58.743 61.445 -2.702 1
1 1086 . 19 1 1 A 86 86 PHE CB C 86 37.488 39.110 -1.622 1
1 1087 . 19 1 1 A 86 86 PHE N N 86 118.712 120.403 -1.691 1
1 1088 . 19 1 1 A 87 87 PHE H H 87 8.132 8.249 -0.117 1
1 1089 . 19 1 1 A 87 87 PHE HA H 87 3.906 4.150 -0.244 1
1 1096 . 19 1 1 A 87 87 PHE C C 87 176.627 177.107 -0.480 1
1 1097 . 19 1 1 A 87 87 PHE CA C 87 59.554 60.814 -1.260 1
1 1098 . 19 1 1 A 87 87 PHE CB C 87 38.017 39.541 -1.524 1
1 1099 . 19 1 1 A 87 87 PHE N N 87 121.649 119.403 2.246 1
1 1100 . 19 1 1 A 88 88 LEU H H 88 7.953 7.898 0.055 1
1 1101 . 19 1 1 A 88 88 LEU HA H 88 3.775 4.043 -0.268 1
1 1111 . 19 1 1 A 88 88 LEU C C 88 177.627 178.631 -1.004 1
1 1112 . 19 1 1 A 88 88 LEU CA C 88 55.078 56.740 -1.662 1
1 1113 . 19 1 1 A 88 88 LEU CB C 88 41.226 41.926 -0.700 1
1 1117 . 19 1 1 A 88 88 LEU N N 88 118.897 118.672 0.225 1
1 1118 . 19 1 1 A 89 89 GLU H H 89 7.475 8.027 -0.552 1
1 1119 . 19 1 1 A 89 89 GLU HA H 89 3.914 4.075 -0.161 1
1 1124 . 19 1 1 A 89 89 GLU C C 89 176.127 178.347 -2.220 1
1 1125 . 19 1 1 A 89 89 GLU CA C 89 56.926 58.726 -1.800 1
1 1126 . 19 1 1 A 89 89 GLU CB C 89 28.567 29.792 -1.225 1
1 1128 . 19 1 1 A 89 89 GLU N N 89 119.332 120.074 -0.742 1
1 1129 . 19 1 1 A 90 90 ASP H H 90 7.750 8.003 -0.253 1
1 1130 . 19 1 1 A 90 90 ASP HA H 90 4.370 4.426 -0.056 1
1 1133 . 19 1 1 A 90 90 ASP C C 90 175.227 177.280 -2.053 1
1 1134 . 19 1 1 A 90 90 ASP CA C 90 53.593 56.527 -2.934 1
1 1135 . 19 1 1 A 90 90 ASP CB C 90 40.323 41.059 -0.736 1
1 1136 . 19 1 1 A 90 90 ASP N N 90 118.945 118.811 0.134 1
1 1137 . 19 1 1 A 91 91 ASN H H 91 7.681 7.617 0.064 1
1 1138 . 19 1 1 A 91 91 ASN HA H 91 4.495 4.829 -0.334 1
1 1143 . 19 1 1 A 91 91 ASN C C 91 173.027 174.769 -1.742 1
1 1144 . 19 1 1 A 91 91 ASN CA C 91 52.041 52.200 -0.159 1
1 1145 . 19 1 1 A 91 91 ASN CB C 91 38.072 36.416 1.656 1
1 1146 . 19 1 1 A 91 91 ASN N N 91 118.171 116.395 1.776 1
1 10 . 20 1 1 A 2 2 GLU H H 2 8.776 8.918 -0.142 1
1 11 . 20 1 1 A 2 2 GLU HA H 2 4.535 4.656 -0.121 1
1 16 . 20 1 1 A 2 2 GLU C C 2 175.627 175.855 -0.228 1
1 17 . 20 1 1 A 2 2 GLU CA C 2 55.573 56.625 -1.052 1
1 18 . 20 1 1 A 2 2 GLU CB C 2 30.569 31.179 -0.610 1
1 20 . 20 1 1 A 2 2 GLU N N 2 124.305 120.909 3.396 1
1 21 . 20 1 1 A 3 3 THR H H 3 8.835 8.004 0.831 1
1 22 . 20 1 1 A 3 3 THR HA H 3 4.608 4.879 -0.271 1
1 27 . 20 1 1 A 3 3 THR CA C 3 59.187 59.158 0.029 1
1 28 . 20 1 1 A 3 3 THR CB C 3 67.385 71.160 -3.775 1
1 30 . 20 1 1 A 3 3 THR N N 3 116.176 111.506 4.670 1
1 31 . 20 1 1 A 4 4 PRO HA H 4 4.158 4.475 -0.317 1
1 38 . 20 1 1 A 4 4 PRO C C 4 179.327 178.103 1.224 1
1 39 . 20 1 1 A 4 4 PRO CA C 4 65.040 64.589 0.451 1
1 40 . 20 1 1 A 4 4 PRO CB C 4 30.616 31.994 -1.378 1
1 43 . 20 1 1 A 5 5 LEU H H 5 8.794 7.581 1.213 1
1 44 . 20 1 1 A 5 5 LEU HA H 5 3.944 4.016 -0.072 1
1 54 . 20 1 1 A 5 5 LEU C C 5 177.327 178.109 -0.782 1
1 55 . 20 1 1 A 5 5 LEU CA C 5 56.920 57.248 -0.328 1
1 56 . 20 1 1 A 5 5 LEU CB C 5 41.139 42.055 -0.916 1
1 60 . 20 1 1 A 5 5 LEU N N 5 118.892 118.079 0.813 1
1 61 . 20 1 1 A 6 6 GLU H H 6 7.664 8.379 -0.715 1
1 62 . 20 1 1 A 6 6 GLU HA H 6 3.744 3.874 -0.130 1
1 67 . 20 1 1 A 6 6 GLU C C 6 178.827 179.707 -0.880 1
1 68 . 20 1 1 A 6 6 GLU CA C 6 59.347 60.009 -0.662 1
1 69 . 20 1 1 A 6 6 GLU CB C 6 28.700 29.329 -0.629 1
1 71 . 20 1 1 A 6 6 GLU N N 6 118.741 119.288 -0.547 1
1 72 . 20 1 1 A 7 7 LYS H H 7 8.435 7.915 0.520 1
1 73 . 20 1 1 A 7 7 LYS HA H 7 3.909 4.031 -0.122 1
1 82 . 20 1 1 A 7 7 LYS C C 7 178.527 178.961 -0.434 1
1 83 . 20 1 1 A 7 7 LYS CA C 7 58.539 59.317 -0.778 1
1 84 . 20 1 1 A 7 7 LYS CB C 7 31.217 32.198 -0.981 1
1 88 . 20 1 1 A 7 7 LYS N N 7 119.285 119.417 -0.132 1
1 89 . 20 1 1 A 8 8 ALA H H 8 8.008 7.985 0.023 1
1 90 . 20 1 1 A 8 8 ALA HA H 8 4.038 4.083 -0.045 1
1 94 . 20 1 1 A 8 8 ALA C C 8 178.327 180.086 -1.759 1
1 95 . 20 1 1 A 8 8 ALA CA C 8 54.356 55.176 -0.820 1
1 96 . 20 1 1 A 8 8 ALA CB C 8 17.509 18.661 -1.152 1
1 97 . 20 1 1 A 8 8 ALA N N 8 123.866 122.289 1.577 1
1 98 . 20 1 1 A 9 9 LEU H H 9 8.163 8.211 -0.048 1
1 99 . 20 1 1 A 9 9 LEU HA H 9 3.809 4.054 -0.245 1
1 109 . 20 1 1 A 9 9 LEU C C 9 178.527 179.199 -0.672 1
1 110 . 20 1 1 A 9 9 LEU CA C 9 57.256 57.874 -0.618 1
1 111 . 20 1 1 A 9 9 LEU CB C 9 40.483 41.542 -1.059 1
1 115 . 20 1 1 A 9 9 LEU N N 9 119.134 117.807 1.327 1
1 116 . 20 1 1 A 10 10 THR H H 10 8.186 8.035 0.151 1
1 117 . 20 1 1 A 10 10 THR HA H 10 3.741 3.927 -0.186 1
1 122 . 20 1 1 A 10 10 THR C C 10 176.727 176.430 0.297 1
1 123 . 20 1 1 A 10 10 THR CA C 10 66.345 66.738 -0.393 1
1 124 . 20 1 1 A 10 10 THR CB C 10 67.558 68.671 -1.113 1
1 126 . 20 1 1 A 10 10 THR N N 10 114.355 115.645 -1.290 1
1 127 . 20 1 1 A 11 11 THR H H 11 8.387 8.456 -0.069 1
1 128 . 20 1 1 A 11 11 THR HA H 11 3.963 3.938 0.025 1
1 133 . 20 1 1 A 11 11 THR C C 11 176.827 177.024 -0.197 1
1 134 . 20 1 1 A 11 11 THR CA C 11 65.801 67.027 -1.226 1
1 135 . 20 1 1 A 11 11 THR CB C 11 67.140 67.981 -0.841 1
1 137 . 20 1 1 A 11 11 THR N N 11 120.801 117.091 3.710 1
1 138 . 20 1 1 A 12 12 MET H H 12 8.299 8.013 0.286 1
1 139 . 20 1 1 A 12 12 MET HA H 12 3.872 4.237 -0.365 1
1 147 . 20 1 1 A 12 12 MET C C 12 177.827 178.494 -0.667 1
1 148 . 20 1 1 A 12 12 MET CA C 12 59.263 58.063 1.200 1
1 149 . 20 1 1 A 12 12 MET CB C 12 31.845 32.627 -0.782 1
1 152 . 20 1 1 A 12 12 MET N N 12 124.102 118.582 5.520 1
1 153 . 20 1 1 A 13 13 VAL H H 13 7.820 8.349 -0.529 1
1 154 . 20 1 1 A 13 13 VAL HA H 13 3.937 3.873 0.064 1
1 162 . 20 1 1 A 13 13 VAL C C 13 177.127 178.844 -1.717 1
1 163 . 20 1 1 A 13 13 VAL CA C 13 65.677 66.572 -0.895 1
1 164 . 20 1 1 A 13 13 VAL CB C 13 31.656 31.676 -0.020 1
1 167 . 20 1 1 A 13 13 VAL N N 13 119.838 119.924 -0.086 1
1 168 . 20 1 1 A 14 14 THR H H 14 9.107 8.528 0.579 1
1 169 . 20 1 1 A 14 14 THR HA H 14 3.654 4.040 -0.386 1
1 174 . 20 1 1 A 14 14 THR C C 14 177.527 176.580 0.947 1
1 175 . 20 1 1 A 14 14 THR CA C 14 65.273 66.402 -1.129 1
1 176 . 20 1 1 A 14 14 THR CB C 14 67.652 68.798 -1.146 1
1 178 . 20 1 1 A 14 14 THR N N 14 112.247 116.888 -4.641 1
1 179 . 20 1 1 A 15 15 THR H H 15 8.189 8.454 -0.265 1
1 180 . 20 1 1 A 15 15 THR HA H 15 3.864 4.259 -0.395 1
1 186 . 20 1 1 A 15 15 THR C C 15 173.627 176.765 -3.138 1
1 187 . 20 1 1 A 15 15 THR CA C 15 66.930 65.895 1.035 1
1 188 . 20 1 1 A 15 15 THR CB C 15 66.539 68.180 -1.641 1
1 190 . 20 1 1 A 15 15 THR N N 15 117.691 111.810 5.881 1
1 191 . 20 1 1 A 16 16 PHE H H 16 6.850 8.487 -1.637 1
1 192 . 20 1 1 A 16 16 PHE HA H 16 3.417 4.087 -0.670 1
1 199 . 20 1 1 A 16 16 PHE C C 16 175.627 177.097 -1.470 1
1 200 . 20 1 1 A 16 16 PHE CA C 16 61.577 61.553 0.024 1
1 201 . 20 1 1 A 16 16 PHE CB C 16 38.177 39.154 -0.977 1
1 202 . 20 1 1 A 16 16 PHE N N 16 120.169 123.957 -3.788 1
1 203 . 20 1 1 A 17 17 HIS H H 17 6.924 8.552 -1.628 1
1 204 . 20 1 1 A 17 17 HIS HA H 17 4.755 4.116 0.639 1
1 207 . 20 1 1 A 17 17 HIS C C 17 176.227 176.629 -0.402 1
1 208 . 20 1 1 A 17 17 HIS CA C 17 56.810 60.242 -3.432 1
1 209 . 20 1 1 A 17 17 HIS CB C 17 29.597 29.472 0.125 1
1 210 . 20 1 1 A 17 17 HIS N N 17 115.499 118.770 -3.271 1
1 211 . 20 1 1 A 18 18 LYS H H 18 7.888 8.533 -0.645 1
1 212 . 20 1 1 A 18 18 LYS HA H 18 3.870 4.038 -0.168 1
1 221 . 20 1 1 A 18 18 LYS C C 18 176.927 178.682 -1.755 1
1 222 . 20 1 1 A 18 18 LYS CA C 18 57.897 59.476 -1.579 1
1 223 . 20 1 1 A 18 18 LYS CB C 18 31.582 32.625 -1.043 1
1 227 . 20 1 1 A 18 18 LYS N N 18 121.217 118.909 2.308 1
1 228 . 20 1 1 A 19 19 TYR H H 19 6.928 8.545 -1.617 1
1 229 . 20 1 1 A 19 19 TYR HA H 19 4.163 4.177 -0.014 1
1 234 . 20 1 1 A 19 19 TYR C C 19 175.027 178.322 -3.295 1
1 235 . 20 1 1 A 19 19 TYR CA C 19 59.335 61.044 -1.709 1
1 236 . 20 1 1 A 19 19 TYR CB C 19 39.515 37.653 1.862 1
1 237 . 20 1 1 A 19 19 TYR N N 19 114.488 119.080 -4.592 1
1 238 . 20 1 1 A 20 20 SER H H 20 8.021 8.978 -0.957 1
1 239 . 20 1 1 A 20 20 SER HA H 20 3.105 4.615 -1.510 1
1 242 . 20 1 1 A 20 20 SER C C 20 176.527 177.206 -0.679 1
1 243 . 20 1 1 A 20 20 SER CA C 20 60.457 61.273 -0.816 1
1 244 . 20 1 1 A 20 20 SER CB C 20 60.326 62.945 -2.619 1
1 245 . 20 1 1 A 20 20 SER N N 20 112.624 116.379 -3.755 1
1 246 . 20 1 1 A 21 21 GLY H H 21 7.908 8.152 -0.244 1
1 247 . 20 1 1 A 21 21 GLY HA2 H 21 4.197 3.933 0.264 1
1 248 . 20 1 1 A 21 21 GLY HA3 H 21 3.761 3.943 -0.182 1
1 249 . 20 1 1 A 21 21 GLY C C 21 173.027 174.103 -1.076 1
1 250 . 20 1 1 A 21 21 GLY CA C 21 44.357 45.661 -1.304 1
1 251 . 20 1 1 A 21 21 GLY N N 21 112.095 107.069 5.026 1
1 252 . 20 1 1 A 22 22 ARG H H 22 7.470 7.463 0.007 1
1 253 . 20 1 1 A 22 22 ARG HA H 22 3.956 4.389 -0.433 1
1 260 . 20 1 1 A 22 22 ARG C C 22 176.327 176.620 -0.293 1
1 261 . 20 1 1 A 22 22 ARG CA C 22 58.189 55.222 2.967 1
1 262 . 20 1 1 A 22 22 ARG CB C 22 29.483 30.791 -1.308 1
1 265 . 20 1 1 A 22 22 ARG N N 22 122.481 120.347 2.134 1
1 266 . 20 1 1 A 23 23 GLU H H 23 9.412 9.610 -0.198 1
1 267 . 20 1 1 A 23 23 GLU HA H 23 4.626 4.295 0.331 1
1 272 . 20 1 1 A 23 23 GLU C C 23 175.027 176.242 -1.215 1
1 273 . 20 1 1 A 23 23 GLU CA C 23 53.319 58.422 -5.103 1
1 274 . 20 1 1 A 23 23 GLU CB C 23 32.032 28.446 3.586 1
1 276 . 20 1 1 A 23 23 GLU N N 23 116.123 123.215 -7.092 1
1 277 . 20 1 1 A 24 24 GLY H H 24 9.080 8.662 0.418 1
1 278 . 20 1 1 A 24 24 GLY HA2 H 24 3.694 3.791 -0.097 1
1 279 . 20 1 1 A 24 24 GLY HA3 H 24 3.878 3.816 0.062 1
1 280 . 20 1 1 A 24 24 GLY C C 24 172.827 173.499 -0.672 1
1 281 . 20 1 1 A 24 24 GLY CA C 24 44.707 47.325 -2.618 1
1 282 . 20 1 1 A 24 24 GLY N N 24 114.015 111.487 2.528 1
1 283 . 20 1 1 A 25 25 SER H H 25 8.465 8.264 0.201 1
1 284 . 20 1 1 A 25 25 SER HA H 25 4.312 5.115 -0.803 1
1 287 . 20 1 1 A 25 25 SER C C 25 178.027 174.760 3.267 1
1 288 . 20 1 1 A 25 25 SER CA C 25 57.478 57.285 0.193 1
1 289 . 20 1 1 A 25 25 SER CB C 25 61.941 66.601 -4.660 1
1 290 . 20 1 1 A 25 25 SER N N 25 117.299 118.699 -1.400 1
1 291 . 20 1 1 A 26 26 LYS H H 26 9.532 8.694 0.838 1
1 292 . 20 1 1 A 26 26 LYS HA H 26 4.660 3.910 0.750 1
1 301 . 20 1 1 A 26 26 LYS C C 26 176.127 177.926 -1.799 1
1 302 . 20 1 1 A 26 26 LYS CA C 26 56.928 58.242 -1.314 1
1 303 . 20 1 1 A 26 26 LYS CB C 26 30.526 32.452 -1.926 1
1 307 . 20 1 1 A 26 26 LYS N N 26 131.209 124.792 6.417 1
1 308 . 20 1 1 A 27 27 LEU H H 27 8.643 7.643 1.000 1
1 309 . 20 1 1 A 27 27 LEU HA H 27 4.583 4.113 0.470 1
1 319 . 20 1 1 A 27 27 LEU C C 27 174.827 176.976 -2.149 1
1 320 . 20 1 1 A 27 27 LEU CA C 27 53.205 56.228 -3.023 1
1 321 . 20 1 1 A 27 27 LEU CB C 27 41.824 43.596 -1.772 1
1 325 . 20 1 1 A 27 27 LEU N N 27 118.729 118.726 0.003 1
1 326 . 20 1 1 A 28 28 THR H H 28 7.037 7.715 -0.678 1
1 327 . 20 1 1 A 28 28 THR HA H 28 5.168 4.916 0.252 1
1 332 . 20 1 1 A 28 28 THR C C 28 172.727 174.000 -1.273 1
1 333 . 20 1 1 A 28 28 THR CA C 28 57.915 60.385 -2.470 1
1 334 . 20 1 1 A 28 28 THR CB C 28 71.934 70.169 1.765 1
1 336 . 20 1 1 A 28 28 THR N N 28 104.663 110.491 -5.828 1
1 337 . 20 1 1 A 29 29 LEU H H 29 9.517 9.185 0.332 1
1 338 . 20 1 1 A 29 29 LEU HA H 29 5.196 5.155 0.041 1
1 348 . 20 1 1 A 29 29 LEU C C 29 175.527 176.116 -0.589 1
1 349 . 20 1 1 A 29 29 LEU CA C 29 51.653 54.350 -2.697 1
1 350 . 20 1 1 A 29 29 LEU CB C 29 42.301 41.502 0.799 1
1 354 . 20 1 1 A 29 29 LEU N N 29 125.388 126.645 -1.257 1
1 355 . 20 1 1 A 30 30 SER H H 30 10.053 9.091 0.962 1
1 356 . 20 1 1 A 30 30 SER HA H 30 4.475 4.750 -0.275 1
1 359 . 20 1 1 A 30 30 SER C C 30 173.427 175.260 -1.833 1
1 360 . 20 1 1 A 30 30 SER CA C 30 55.011 58.355 -3.344 1
1 361 . 20 1 1 A 30 30 SER CB C 30 64.446 64.155 0.291 1
1 362 . 20 1 1 A 30 30 SER N N 30 121.114 120.712 0.402 1
1 363 . 20 1 1 A 31 31 ARG H H 31 8.992 9.149 -0.157 1
1 364 . 20 1 1 A 31 31 ARG HA H 31 3.923 4.061 -0.138 1
1 371 . 20 1 1 A 31 31 ARG C C 31 177.027 177.499 -0.472 1
1 372 . 20 1 1 A 31 31 ARG CA C 31 59.408 58.754 0.654 1
1 373 . 20 1 1 A 31 31 ARG CB C 31 29.041 30.148 -1.107 1
1 376 . 20 1 1 A 31 31 ARG N N 31 120.513 124.616 -4.103 1
1 377 . 20 1 1 A 32 32 LYS H H 32 7.845 7.911 -0.066 1
1 378 . 20 1 1 A 32 32 LYS HA H 32 3.826 4.309 -0.483 1
1 387 . 20 1 1 A 32 32 LYS C C 32 178.927 178.741 0.186 1
1 388 . 20 1 1 A 32 32 LYS CA C 32 58.677 57.789 0.888 1
1 389 . 20 1 1 A 32 32 LYS CB C 32 31.964 33.373 -1.409 1
1 393 . 20 1 1 A 32 32 LYS N N 32 117.011 118.458 -1.447 1
1 394 . 20 1 1 A 33 33 GLU H H 33 7.612 8.014 -0.402 1
1 395 . 20 1 1 A 33 33 GLU HA H 33 3.954 4.100 -0.146 1
1 400 . 20 1 1 A 33 33 GLU C C 33 177.227 179.375 -2.148 1
1 401 . 20 1 1 A 33 33 GLU CA C 33 58.289 59.209 -0.920 1
1 402 . 20 1 1 A 33 33 GLU CB C 33 29.757 29.295 0.462 1
1 404 . 20 1 1 A 33 33 GLU N N 33 120.815 120.574 0.241 1
1 405 . 20 1 1 A 34 34 LEU H H 34 8.694 8.275 0.419 1
1 406 . 20 1 1 A 34 34 LEU HA H 34 3.811 4.065 -0.254 1
1 416 . 20 1 1 A 34 34 LEU C C 34 176.927 178.186 -1.259 1
1 417 . 20 1 1 A 34 34 LEU CA C 34 57.025 57.699 -0.674 1
1 418 . 20 1 1 A 34 34 LEU CB C 34 40.638 41.626 -0.988 1
1 422 . 20 1 1 A 34 34 LEU N N 34 119.291 121.237 -1.946 1
1 423 . 20 1 1 A 35 35 LYS H H 35 8.114 8.129 -0.015 1
1 424 . 20 1 1 A 35 35 LYS HA H 35 3.569 3.914 -0.345 1
1 433 . 20 1 1 A 35 35 LYS C C 35 177.027 178.800 -1.773 1
1 434 . 20 1 1 A 35 35 LYS CA C 35 59.419 59.926 -0.507 1
1 435 . 20 1 1 A 35 35 LYS CB C 35 31.271 32.485 -1.214 1
1 439 . 20 1 1 A 35 35 LYS N N 35 117.277 119.196 -1.919 1
1 440 . 20 1 1 A 36 36 GLU H H 36 7.560 7.728 -0.168 1
1 441 . 20 1 1 A 36 36 GLU HA H 36 3.845 4.117 -0.272 1
1 446 . 20 1 1 A 36 36 GLU C C 36 175.827 178.722 -2.895 1
1 447 . 20 1 1 A 36 36 GLU CA C 36 58.190 59.145 -0.955 1
1 448 . 20 1 1 A 36 36 GLU CB C 36 28.253 29.610 -1.357 1
1 450 . 20 1 1 A 36 36 GLU N N 36 119.302 119.266 0.036 1
1 451 . 20 1 1 A 37 37 LEU H H 37 7.682 8.063 -0.381 1
1 452 . 20 1 1 A 37 37 LEU HA H 37 2.280 3.833 -1.553 1
1 462 . 20 1 1 A 37 37 LEU C C 37 178.327 178.799 -0.472 1
1 463 . 20 1 1 A 37 37 LEU CA C 37 58.225 58.095 0.130 1
1 464 . 20 1 1 A 37 37 LEU CB C 37 41.090 41.319 -0.229 1
1 468 . 20 1 1 A 37 37 LEU N N 37 121.690 120.790 0.900 1
1 469 . 20 1 1 A 38 38 ILE H H 38 8.157 8.393 -0.236 1
1 470 . 20 1 1 A 38 38 ILE HA H 38 3.292 3.761 -0.469 1
1 480 . 20 1 1 A 38 38 ILE C C 38 177.027 177.944 -0.917 1
1 481 . 20 1 1 A 38 38 ILE CA C 38 65.007 65.734 -0.727 1
1 482 . 20 1 1 A 38 38 ILE CB C 38 37.187 37.711 -0.524 1
1 486 . 20 1 1 A 38 38 ILE N N 38 117.626 120.361 -2.735 1
1 487 . 20 1 1 A 39 39 LYS H H 39 8.068 7.537 0.531 1
1 488 . 20 1 1 A 39 39 LYS HA H 39 3.876 4.091 -0.215 1
1 497 . 20 1 1 A 39 39 LYS C C 39 177.927 179.341 -1.414 1
1 498 . 20 1 1 A 39 39 LYS CA C 39 58.204 58.824 -0.620 1
1 499 . 20 1 1 A 39 39 LYS CB C 39 31.731 31.962 -0.231 1
1 503 . 20 1 1 A 39 39 LYS N N 39 117.909 120.152 -2.243 1
1 504 . 20 1 1 A 40 40 LYS H H 40 8.094 7.838 0.256 1
1 505 . 20 1 1 A 40 40 LYS HA H 40 4.248 4.093 0.155 1
1 514 . 20 1 1 A 40 40 LYS C C 40 178.227 178.876 -0.649 1
1 515 . 20 1 1 A 40 40 LYS CA C 40 56.291 59.513 -3.222 1
1 516 . 20 1 1 A 40 40 LYS CB C 40 32.652 32.494 0.158 1
1 520 . 20 1 1 A 40 40 LYS N N 40 114.323 118.510 -4.187 1
1 521 . 20 1 1 A 41 41 GLU H H 41 8.381 7.937 0.444 1
1 522 . 20 1 1 A 41 41 GLU HA H 41 4.744 4.121 0.623 1
1 527 . 20 1 1 A 41 41 GLU C C 41 176.227 177.487 -1.260 1
1 528 . 20 1 1 A 41 41 GLU CA C 41 55.054 58.853 -3.799 1
1 529 . 20 1 1 A 41 41 GLU CB C 41 29.598 29.792 -0.194 1
1 531 . 20 1 1 A 41 41 GLU N N 41 113.079 120.076 -6.997 1
1 532 . 20 1 1 A 42 42 LEU H H 42 7.544 8.078 -0.534 1
1 533 . 20 1 1 A 42 42 LEU HA H 42 4.754 4.601 0.153 1
1 542 . 20 1 1 A 42 42 LEU CA C 42 52.564 54.101 -1.537 1
1 543 . 20 1 1 A 42 42 LEU CB C 42 43.848 39.754 4.094 1
1 546 . 20 1 1 A 42 42 LEU N N 42 118.458 119.007 -0.549 1
1 547 . 20 1 1 A 43 43 CYS H H 43 8.342 8.634 -0.292 1
1 548 . 20 1 1 A 43 43 CYS HA H 43 4.486 4.338 0.148 1
1 551 . 20 1 1 A 43 43 CYS C C 43 174.327 177.134 -2.807 1
1 552 . 20 1 1 A 43 43 CYS CA C 43 57.655 61.337 -3.682 1
1 553 . 20 1 1 A 43 43 CYS CB C 43 25.653 27.629 -1.976 1
1 554 . 20 1 1 A 44 44 LEU H H 44 8.123 7.758 0.365 1
1 555 . 20 1 1 A 44 44 LEU HA H 44 4.339 4.260 0.079 1
1 565 . 20 1 1 A 44 44 LEU C C 44 176.927 177.787 -0.860 1
1 566 . 20 1 1 A 44 44 LEU CA C 44 53.750 54.595 -0.845 1
1 567 . 20 1 1 A 44 44 LEU CB C 44 40.784 41.504 -0.720 1
1 571 . 20 1 1 A 44 44 LEU N N 44 121.974 115.912 6.062 1
1 572 . 20 1 1 A 45 45 GLY H H 45 8.072 8.180 -0.108 1
1 573 . 20 1 1 A 45 45 GLY HA2 H 45 3.889 3.964 -0.075 1
1 574 . 20 1 1 A 45 45 GLY HA3 H 45 3.698 4.004 -0.306 1
1 575 . 20 1 1 A 45 45 GLY C C 45 173.127 174.673 -1.546 1
1 576 . 20 1 1 A 45 45 GLY CA C 45 44.291 45.082 -0.791 1
1 577 . 20 1 1 A 45 45 GLY N N 45 107.819 108.941 -1.122 1
1 578 . 20 1 1 A 46 46 GLU H H 46 8.472 7.970 0.502 1
1 579 . 20 1 1 A 46 46 GLU HA H 46 4.048 4.505 -0.457 1
1 584 . 20 1 1 A 46 46 GLU C C 46 175.727 176.690 -0.963 1
1 585 . 20 1 1 A 46 46 GLU CA C 46 56.461 55.850 0.611 1
1 586 . 20 1 1 A 46 46 GLU CB C 46 28.208 30.889 -2.681 1
1 588 . 20 1 1 A 46 46 GLU N N 46 120.563 121.128 -0.565 1
1 589 . 20 1 1 A 47 47 MET H H 47 8.189 8.860 -0.671 1
1 590 . 20 1 1 A 47 47 MET HA H 47 4.413 4.160 0.253 1
1 598 . 20 1 1 A 47 47 MET C C 47 175.027 174.913 0.114 1
1 599 . 20 1 1 A 47 47 MET CA C 47 53.905 56.176 -2.271 1
1 600 . 20 1 1 A 47 47 MET CB C 47 32.611 31.263 1.348 1
1 603 . 20 1 1 A 47 47 MET N N 47 123.201 121.079 2.122 1
1 604 . 20 1 1 A 48 48 LYS H H 48 8.355 8.597 -0.242 1
1 605 . 20 1 1 A 48 48 LYS HA H 48 4.237 4.673 -0.436 1
1 614 . 20 1 1 A 48 48 LYS C C 48 177.027 176.941 0.086 1
1 615 . 20 1 1 A 48 48 LYS CA C 48 55.443 54.416 1.027 1
1 616 . 20 1 1 A 48 48 LYS CB C 48 32.173 35.553 -3.380 1
1 620 . 20 1 1 A 48 48 LYS N N 48 123.046 123.432 -0.386 1
1 621 . 20 1 1 A 49 49 GLU H H 49 8.742 8.991 -0.249 1
1 622 . 20 1 1 A 49 49 GLU HA H 49 3.884 3.936 -0.052 1
1 627 . 20 1 1 A 49 49 GLU C C 49 177.727 178.394 -0.667 1
1 628 . 20 1 1 A 49 49 GLU CA C 49 58.534 60.611 -2.077 1
1 629 . 20 1 1 A 49 49 GLU CB C 49 27.870 29.608 -1.738 1
1 631 . 20 1 1 A 49 49 GLU N N 49 122.407 124.488 -2.081 1
1 632 . 20 1 1 A 50 50 SER H H 50 8.324 8.316 0.008 1
1 633 . 20 1 1 A 50 50 SER HA H 50 4.188 4.264 -0.076 1
1 636 . 20 1 1 A 50 50 SER C C 50 175.427 175.398 0.029 1
1 637 . 20 1 1 A 50 50 SER CA C 50 59.402 61.282 -1.880 1
1 638 . 20 1 1 A 50 50 SER CB C 50 61.442 63.167 -1.725 1
1 639 . 20 1 1 A 50 50 SER N N 50 112.475 115.873 -3.398 1
1 640 . 20 1 1 A 51 51 SER H H 51 7.400 8.033 -0.633 1
1 641 . 20 1 1 A 51 51 SER HA H 51 3.926 4.257 -0.331 1
1 644 . 20 1 1 A 51 51 SER C C 51 176.027 176.489 -0.462 1
1 645 . 20 1 1 A 51 51 SER CA C 51 59.762 60.955 -1.193 1
1 646 . 20 1 1 A 51 51 SER CB C 51 60.955 62.928 -1.973 1
1 647 . 20 1 1 A 51 51 SER N N 51 118.432 115.676 2.756 1
1 648 . 20 1 1 A 52 52 ILE H H 52 7.790 8.159 -0.369 1
1 649 . 20 1 1 A 52 52 ILE HA H 52 3.642 3.699 -0.057 1
1 659 . 20 1 1 A 52 52 ILE C C 52 176.427 177.724 -1.297 1
1 660 . 20 1 1 A 52 52 ILE CA C 52 61.984 64.229 -2.245 1
1 661 . 20 1 1 A 52 52 ILE CB C 52 34.990 36.651 -1.661 1
1 665 . 20 1 1 A 52 52 ILE N N 52 123.838 121.385 2.453 1
1 666 . 20 1 1 A 53 53 ASP H H 53 8.092 8.250 -0.158 1
1 667 . 20 1 1 A 53 53 ASP HA H 53 4.225 4.401 -0.176 1
1 670 . 20 1 1 A 53 53 ASP C C 53 178.227 178.411 -0.184 1
1 671 . 20 1 1 A 53 53 ASP CA C 53 56.606 56.741 -0.135 1
1 672 . 20 1 1 A 53 53 ASP CB C 53 39.034 40.603 -1.569 1
1 673 . 20 1 1 A 53 53 ASP N N 53 121.313 121.847 -0.534 1
1 674 . 20 1 1 A 54 54 ASP H H 54 7.811 8.204 -0.393 1
1 675 . 20 1 1 A 54 54 ASP HA H 54 4.253 4.375 -0.122 1
1 678 . 20 1 1 A 54 54 ASP C C 54 177.927 178.232 -0.305 1
1 679 . 20 1 1 A 54 54 ASP CA C 54 56.467 57.531 -1.064 1
1 680 . 20 1 1 A 54 54 ASP CB C 54 39.401 41.087 -1.686 1
1 681 . 20 1 1 A 54 54 ASP N N 54 120.122 120.059 0.063 1
1 682 . 20 1 1 A 55 55 LEU H H 55 7.789 7.684 0.105 1
1 683 . 20 1 1 A 55 55 LEU HA H 55 3.979 4.038 -0.059 1
1 693 . 20 1 1 A 55 55 LEU C C 55 178.027 178.472 -0.445 1
1 694 . 20 1 1 A 55 55 LEU CA C 55 56.713 57.885 -1.172 1
1 695 . 20 1 1 A 55 55 LEU CB C 55 40.799 41.444 -0.645 1
1 699 . 20 1 1 A 55 55 LEU N N 55 122.944 120.535 2.409 1
1 700 . 20 1 1 A 56 56 MET H H 56 8.601 8.493 0.108 1
1 701 . 20 1 1 A 56 56 MET HA H 56 3.827 3.944 -0.117 1
1 709 . 20 1 1 A 56 56 MET C C 56 177.027 178.630 -1.603 1
1 710 . 20 1 1 A 56 56 MET CA C 56 57.116 58.976 -1.860 1
1 711 . 20 1 1 A 56 56 MET CB C 56 29.825 32.401 -2.576 1
1 714 . 20 1 1 A 56 56 MET N N 56 117.863 117.192 0.671 1
1 715 . 20 1 1 A 57 57 LYS H H 57 7.693 7.699 -0.006 1
1 716 . 20 1 1 A 57 57 LYS HA H 57 3.954 4.030 -0.076 1
1 725 . 20 1 1 A 57 57 LYS C C 57 178.127 178.425 -0.298 1
1 726 . 20 1 1 A 57 57 LYS CA C 57 58.352 58.883 -0.531 1
1 727 . 20 1 1 A 57 57 LYS CB C 57 31.315 32.072 -0.757 1
1 731 . 20 1 1 A 57 57 LYS N N 57 116.455 120.660 -4.205 1
1 732 . 20 1 1 A 58 58 SER H H 58 7.661 8.250 -0.589 1
1 733 . 20 1 1 A 58 58 SER HA H 58 4.115 4.368 -0.253 1
1 736 . 20 1 1 A 58 58 SER C C 58 174.827 176.633 -1.806 1
1 737 . 20 1 1 A 58 58 SER CA C 58 59.986 61.204 -1.218 1
1 738 . 20 1 1 A 58 58 SER CB C 58 62.464 63.377 -0.913 1
1 739 . 20 1 1 A 58 58 SER N N 58 113.020 117.250 -4.230 1
1 740 . 20 1 1 A 59 59 LEU H H 59 7.917 8.017 -0.100 1
1 741 . 20 1 1 A 59 59 LEU HA H 59 4.269 4.093 0.176 1
1 751 . 20 1 1 A 59 59 LEU C C 59 177.627 177.527 0.100 1
1 752 . 20 1 1 A 59 59 LEU CA C 59 54.402 57.847 -3.445 1
1 753 . 20 1 1 A 59 59 LEU CB C 59 43.731 41.349 2.382 1
1 757 . 20 1 1 A 59 59 LEU N N 59 117.463 119.479 -2.016 1
1 758 . 20 1 1 A 60 60 ASP H H 60 8.025 7.999 0.026 1
1 759 . 20 1 1 A 60 60 ASP HA H 60 4.566 4.585 -0.019 1
1 762 . 20 1 1 A 60 60 ASP C C 60 176.627 176.350 0.277 1
1 763 . 20 1 1 A 60 60 ASP CA C 60 52.335 55.068 -2.733 1
1 764 . 20 1 1 A 60 60 ASP CB C 60 38.139 40.729 -2.590 1
1 765 . 20 1 1 A 60 60 ASP N N 60 117.588 118.692 -1.104 1
1 766 . 20 1 1 A 61 61 LYS H H 61 8.100 8.902 -0.802 1
1 767 . 20 1 1 A 61 61 LYS HA H 61 4.035 4.564 -0.529 1
1 776 . 20 1 1 A 61 61 LYS C C 61 176.727 177.039 -0.312 1
1 777 . 20 1 1 A 61 61 LYS CA C 61 56.887 55.548 1.339 1
1 778 . 20 1 1 A 61 61 LYS CB C 61 31.653 32.785 -1.132 1
1 782 . 20 1 1 A 61 61 LYS N N 61 126.943 120.751 6.192 1
1 783 . 20 1 1 A 62 62 ASN H H 62 7.864 8.050 -0.186 1
1 784 . 20 1 1 A 62 62 ASN HA H 62 4.759 4.872 -0.113 1
1 789 . 20 1 1 A 62 62 ASN C C 62 173.727 175.640 -1.913 1
1 790 . 20 1 1 A 62 62 ASN CA C 62 50.660 53.607 -2.947 1
1 791 . 20 1 1 A 62 62 ASN CB C 62 35.920 40.351 -4.431 1
1 792 . 20 1 1 A 62 62 ASN N N 62 113.588 115.749 -2.161 1
1 794 . 20 1 1 A 63 63 SER H H 63 7.613 8.192 -0.579 1
1 795 . 20 1 1 A 63 63 SER HA H 63 3.962 4.468 -0.506 1
1 798 . 20 1 1 A 63 63 SER C C 63 172.927 172.346 0.581 1
1 799 . 20 1 1 A 63 63 SER CA C 63 58.262 58.935 -0.673 1
1 800 . 20 1 1 A 63 63 SER CB C 63 60.708 61.979 -1.271 1
1 801 . 20 1 1 A 63 63 SER N N 63 111.592 114.184 -2.592 1
1 802 . 20 1 1 A 64 64 ASP H H 64 8.217 8.415 -0.198 1
1 803 . 20 1 1 A 64 64 ASP HA H 64 4.653 5.057 -0.404 1
1 806 . 20 1 1 A 64 64 ASP C C 64 175.927 175.269 0.658 1
1 807 . 20 1 1 A 64 64 ASP CA C 64 51.641 52.983 -1.342 1
1 808 . 20 1 1 A 64 64 ASP CB C 64 39.385 41.543 -2.158 1
1 809 . 20 1 1 A 64 64 ASP N N 64 118.913 124.557 -5.644 1
1 810 . 20 1 1 A 65 65 GLN H H 65 10.239 8.314 1.925 1
1 811 . 20 1 1 A 65 65 GLN HA H 65 3.356 4.412 -1.056 1
1 818 . 20 1 1 A 65 65 GLN C C 65 172.627 174.228 -1.601 1
1 819 . 20 1 1 A 65 65 GLN CA C 65 56.325 55.481 0.844 1
1 820 . 20 1 1 A 65 65 GLN CB C 65 24.910 30.153 -5.243 1
1 822 . 20 1 1 A 65 65 GLN N N 65 114.908 117.422 -2.514 1
1 824 . 20 1 1 A 66 66 GLU H H 66 7.710 8.100 -0.390 1
1 825 . 20 1 1 A 66 66 GLU HA H 66 4.691 4.763 -0.072 1
1 830 . 20 1 1 A 66 66 GLU C C 66 174.127 174.711 -0.584 1
1 831 . 20 1 1 A 66 66 GLU CA C 66 52.987 54.955 -1.968 1
1 832 . 20 1 1 A 66 66 GLU CB C 66 32.433 33.566 -1.133 1
1 834 . 20 1 1 A 66 66 GLU N N 66 115.721 117.261 -1.540 1
1 835 . 20 1 1 A 67 67 ILE H H 67 9.938 9.054 0.884 1
1 836 . 20 1 1 A 67 67 ILE HA H 67 5.291 5.051 0.240 1
1 846 . 20 1 1 A 67 67 ILE C C 67 175.627 175.574 0.053 1
1 847 . 20 1 1 A 67 67 ILE CA C 67 56.241 60.161 -3.920 1
1 848 . 20 1 1 A 67 67 ILE CB C 67 35.492 40.669 -5.177 1
1 852 . 20 1 1 A 67 67 ILE N N 67 125.901 123.391 2.510 1
1 853 . 20 1 1 A 68 68 ASP H H 68 8.794 8.794 0.000 1
1 854 . 20 1 1 A 68 68 ASP HA H 68 5.002 5.178 -0.176 1
1 857 . 20 1 1 A 68 68 ASP C C 68 174.427 177.776 -3.349 1
1 858 . 20 1 1 A 68 68 ASP CA C 68 51.563 52.611 -1.048 1
1 859 . 20 1 1 A 68 68 ASP CB C 68 40.493 41.886 -1.393 1
1 860 . 20 1 1 A 68 68 ASP N N 68 127.844 128.286 -0.442 1
1 861 . 20 1 1 A 69 69 PHE H H 69 9.068 9.035 0.033 1
1 862 . 20 1 1 A 69 69 PHE HA H 69 3.130 4.699 -1.569 1
1 869 . 20 1 1 A 69 69 PHE C C 69 176.827 178.366 -1.539 1
1 870 . 20 1 1 A 69 69 PHE CA C 69 62.478 60.858 1.620 1
1 871 . 20 1 1 A 69 69 PHE CB C 69 38.096 38.410 -0.314 1
1 872 . 20 1 1 A 69 69 PHE N N 69 118.955 119.957 -1.002 1
1 873 . 20 1 1 A 70 70 LYS H H 70 8.123 8.408 -0.285 1
1 874 . 20 1 1 A 70 70 LYS HA H 70 3.871 4.266 -0.395 1
1 883 . 20 1 1 A 70 70 LYS C C 70 179.527 179.336 0.191 1
1 884 . 20 1 1 A 70 70 LYS CA C 70 59.457 57.691 1.766 1
1 885 . 20 1 1 A 70 70 LYS CB C 70 30.772 32.600 -1.828 1
1 889 . 20 1 1 A 70 70 LYS N N 70 120.287 119.345 0.942 1
1 890 . 20 1 1 A 71 71 GLU H H 71 8.746 7.986 0.760 1
1 891 . 20 1 1 A 71 71 GLU HA H 71 4.099 4.109 -0.010 1
1 896 . 20 1 1 A 71 71 GLU C C 71 179.127 178.761 0.366 1
1 897 . 20 1 1 A 71 71 GLU CA C 71 57.934 59.108 -1.174 1
1 898 . 20 1 1 A 71 71 GLU CB C 71 29.266 29.596 -0.330 1
1 900 . 20 1 1 A 71 71 GLU N N 71 122.207 119.665 2.542 1
1 901 . 20 1 1 A 72 72 TYR H H 72 8.879 8.741 0.138 1
1 902 . 20 1 1 A 72 72 TYR HA H 72 4.010 3.981 0.029 1
1 909 . 20 1 1 A 72 72 TYR C C 72 175.927 177.843 -1.916 1
1 910 . 20 1 1 A 72 72 TYR CA C 72 58.551 61.762 -3.211 1
1 911 . 20 1 1 A 72 72 TYR CB C 72 38.072 38.520 -0.448 1
1 912 . 20 1 1 A 72 72 TYR N N 72 121.813 121.864 -0.051 1
1 913 . 20 1 1 A 73 73 SER H H 73 8.414 8.306 0.108 1
1 914 . 20 1 1 A 73 73 SER HA H 73 3.462 4.238 -0.776 1
1 917 . 20 1 1 A 73 73 SER C C 73 175.127 175.697 -0.570 1
1 918 . 20 1 1 A 73 73 SER CA C 73 61.876 61.586 0.290 1
1 919 . 20 1 1 A 73 73 SER CB C 73 61.327 63.285 -1.958 1
1 920 . 20 1 1 A 73 73 SER N N 73 117.840 115.706 2.134 1
1 921 . 20 1 1 A 74 74 VAL H H 74 7.363 8.124 -0.761 1
1 922 . 20 1 1 A 74 74 VAL HA H 74 3.584 3.762 -0.178 1
1 930 . 20 1 1 A 74 74 VAL C C 74 178.027 177.547 0.480 1
1 931 . 20 1 1 A 74 74 VAL CA C 74 65.397 64.752 0.645 1
1 932 . 20 1 1 A 74 74 VAL CB C 74 30.300 31.682 -1.382 1
1 935 . 20 1 1 A 74 74 VAL N N 74 123.439 121.377 2.062 1
1 936 . 20 1 1 A 75 75 PHE H H 75 7.282 7.911 -0.629 1
1 937 . 20 1 1 A 75 75 PHE HA H 75 4.562 4.021 0.541 1
1 945 . 20 1 1 A 75 75 PHE C C 75 176.127 177.088 -0.961 1
1 946 . 20 1 1 A 75 75 PHE CA C 75 57.851 61.506 -3.655 1
1 947 . 20 1 1 A 75 75 PHE CB C 75 36.863 38.964 -2.101 1
1 948 . 20 1 1 A 75 75 PHE N N 75 122.766 123.680 -0.914 1
1 949 . 20 1 1 A 76 76 LEU H H 76 7.823 7.613 0.210 1
1 950 . 20 1 1 A 76 76 LEU HA H 76 3.445 3.523 -0.078 1
1 960 . 20 1 1 A 76 76 LEU C C 76 178.927 178.821 0.106 1
1 961 . 20 1 1 A 76 76 LEU CA C 76 56.891 57.559 -0.668 1
1 962 . 20 1 1 A 76 76 LEU CB C 76 39.917 41.193 -1.276 1
1 966 . 20 1 1 A 76 76 LEU N N 76 115.619 117.172 -1.553 1
1 967 . 20 1 1 A 77 77 THR H H 77 7.858 7.557 0.301 1
1 968 . 20 1 1 A 77 77 THR HA H 77 3.665 3.829 -0.164 1
1 974 . 20 1 1 A 77 77 THR C C 77 175.427 176.849 -1.422 1
1 975 . 20 1 1 A 77 77 THR CA C 77 66.127 66.875 -0.748 1
1 976 . 20 1 1 A 77 77 THR CB C 77 67.585 67.685 -0.100 1
1 978 . 20 1 1 A 77 77 THR N N 77 113.417 115.305 -1.888 1
1 979 . 20 1 1 A 78 78 MET H H 78 7.970 7.904 0.066 1
1 980 . 20 1 1 A 78 78 MET HA H 78 3.935 4.019 -0.084 1
1 988 . 20 1 1 A 78 78 MET C C 78 179.127 179.005 0.122 1
1 989 . 20 1 1 A 78 78 MET CA C 78 58.780 58.872 -0.092 1
1 990 . 20 1 1 A 78 78 MET CB C 78 31.501 32.702 -1.201 1
1 993 . 20 1 1 A 78 78 MET N N 78 122.745 118.898 3.847 1
1 994 . 20 1 1 A 79 79 LEU H H 79 7.898 7.929 -0.031 1
1 995 . 20 1 1 A 79 79 LEU HA H 79 3.870 4.070 -0.200 1
1 1005 . 20 1 1 A 79 79 LEU C C 79 178.427 178.636 -0.209 1
1 1006 . 20 1 1 A 79 79 LEU CA C 79 56.843 57.966 -1.123 1
1 1007 . 20 1 1 A 79 79 LEU CB C 79 41.099 41.713 -0.614 1
1 1011 . 20 1 1 A 79 79 LEU N N 79 120.989 119.591 1.398 1
1 1012 . 20 1 1 A 80 80 CYS H H 80 8.400 8.578 -0.178 1
1 1013 . 20 1 1 A 80 80 CYS HA H 80 3.830 4.216 -0.386 1
1 1017 . 20 1 1 A 80 80 CYS C C 80 175.927 177.374 -1.447 1
1 1018 . 20 1 1 A 80 80 CYS CA C 80 64.044 62.410 1.634 1
1 1019 . 20 1 1 A 80 80 CYS CB C 80 25.626 27.213 -1.587 1
1 1020 . 20 1 1 A 80 80 CYS N N 80 117.746 118.223 -0.477 1
1 1021 . 20 1 1 A 81 81 MET H H 81 8.295 8.185 0.110 1
1 1022 . 20 1 1 A 81 81 MET HA H 81 4.023 4.272 -0.249 1
1 1030 . 20 1 1 A 81 81 MET C C 81 177.327 178.146 -0.819 1
1 1031 . 20 1 1 A 81 81 MET CA C 81 57.601 59.041 -1.440 1
1 1032 . 20 1 1 A 81 81 MET CB C 81 30.668 32.974 -2.306 1
1 1035 . 20 1 1 A 81 81 MET N N 81 117.598 119.050 -1.452 1
1 1036 . 20 1 1 A 82 82 ALA H H 82 7.624 7.831 -0.207 1
1 1037 . 20 1 1 A 82 82 ALA HA H 82 4.061 4.104 -0.043 1
1 1041 . 20 1 1 A 82 82 ALA C C 82 179.627 179.824 -0.197 1
1 1042 . 20 1 1 A 82 82 ALA CA C 82 53.856 55.306 -1.450 1
1 1043 . 20 1 1 A 82 82 ALA CB C 82 16.794 18.621 -1.827 1
1 1044 . 20 1 1 A 82 82 ALA N N 82 121.886 121.474 0.412 1
1 1045 . 20 1 1 A 83 83 TYR H H 83 8.476 8.318 0.158 1
1 1046 . 20 1 1 A 83 83 TYR HA H 83 4.147 4.413 -0.266 1
1 1053 . 20 1 1 A 83 83 TYR C C 83 178.127 178.040 0.087 1
1 1054 . 20 1 1 A 83 83 TYR CA C 83 60.066 61.365 -1.299 1
1 1055 . 20 1 1 A 83 83 TYR CB C 83 36.546 37.511 -0.965 1
1 1056 . 20 1 1 A 83 83 TYR N N 83 119.136 116.401 2.735 1
1 1057 . 20 1 1 A 84 84 ASN H H 84 8.386 8.630 -0.244 1
1 1058 . 20 1 1 A 84 84 ASN HA H 84 4.221 4.469 -0.248 1
1 1063 . 20 1 1 A 84 84 ASN C C 84 175.427 177.090 -1.663 1
1 1064 . 20 1 1 A 84 84 ASN CA C 84 56.123 56.613 -0.490 1
1 1065 . 20 1 1 A 84 84 ASN CB C 84 37.387 39.203 -1.816 1
1 1066 . 20 1 1 A 84 84 ASN N N 84 120.692 119.722 0.970 1
1 1068 . 20 1 1 A 85 85 ASP H H 85 7.611 7.881 -0.270 1
1 1069 . 20 1 1 A 85 85 ASP HA H 85 4.234 4.357 -0.123 1
1 1072 . 20 1 1 A 85 85 ASP C C 85 178.227 178.324 -0.097 1
1 1073 . 20 1 1 A 85 85 ASP CA C 85 56.752 57.458 -0.706 1
1 1074 . 20 1 1 A 85 85 ASP CB C 85 38.688 41.791 -3.103 1
1 1075 . 20 1 1 A 85 85 ASP N N 85 118.378 119.420 -1.042 1
1 1076 . 20 1 1 A 86 86 PHE H H 86 7.538 8.209 -0.671 1
1 1077 . 20 1 1 A 86 86 PHE HA H 86 4.291 4.198 0.093 1
1 1084 . 20 1 1 A 86 86 PHE C C 86 176.627 177.384 -0.757 1
1 1085 . 20 1 1 A 86 86 PHE CA C 86 58.743 61.391 -2.648 1
1 1086 . 20 1 1 A 86 86 PHE CB C 86 37.488 38.760 -1.272 1
1 1087 . 20 1 1 A 86 86 PHE N N 86 118.712 120.494 -1.782 1
1 1088 . 20 1 1 A 87 87 PHE H H 87 8.132 8.266 -0.134 1
1 1089 . 20 1 1 A 87 87 PHE HA H 87 3.906 4.157 -0.251 1
1 1096 . 20 1 1 A 87 87 PHE C C 87 176.627 177.227 -0.600 1
1 1097 . 20 1 1 A 87 87 PHE CA C 87 59.554 61.724 -2.170 1
1 1098 . 20 1 1 A 87 87 PHE CB C 87 38.017 39.456 -1.439 1
1 1099 . 20 1 1 A 87 87 PHE N N 87 121.649 120.242 1.407 1
1 1100 . 20 1 1 A 88 88 LEU H H 88 7.953 7.880 0.073 1
1 1101 . 20 1 1 A 88 88 LEU HA H 88 3.775 3.980 -0.205 1
1 1111 . 20 1 1 A 88 88 LEU C C 88 177.627 177.725 -0.098 1
1 1112 . 20 1 1 A 88 88 LEU CA C 88 55.078 56.988 -1.910 1
1 1113 . 20 1 1 A 88 88 LEU CB C 88 41.226 41.764 -0.538 1
1 1117 . 20 1 1 A 88 88 LEU N N 88 118.897 119.046 -0.149 1
1 1118 . 20 1 1 A 89 89 GLU H H 89 7.475 7.583 -0.108 1
1 1119 . 20 1 1 A 89 89 GLU HA H 89 3.914 4.261 -0.347 1
1 1124 . 20 1 1 A 89 89 GLU C C 89 176.127 177.284 -1.157 1
1 1125 . 20 1 1 A 89 89 GLU CA C 89 56.926 57.189 -0.263 1
1 1126 . 20 1 1 A 89 89 GLU CB C 89 28.567 30.389 -1.822 1
1 1128 . 20 1 1 A 89 89 GLU N N 89 119.332 119.307 0.025 1
1 1129 . 20 1 1 A 90 90 ASP H H 90 7.750 7.900 -0.150 1
1 1130 . 20 1 1 A 90 90 ASP HA H 90 4.370 4.596 -0.226 1
1 1133 . 20 1 1 A 90 90 ASP C C 90 175.227 177.157 -1.930 1
1 1134 . 20 1 1 A 90 90 ASP CA C 90 53.593 55.991 -2.398 1
1 1135 . 20 1 1 A 90 90 ASP CB C 90 40.323 41.519 -1.196 1
1 1136 . 20 1 1 A 90 90 ASP N N 90 118.945 120.763 -1.818 1
1 1137 . 20 1 1 A 91 91 ASN H H 91 7.681 7.462 0.219 1
1 1138 . 20 1 1 A 91 91 ASN HA H 91 4.495 4.831 -0.336 1
1 1143 . 20 1 1 A 91 91 ASN C C 91 173.027 174.740 -1.713 1
1 1144 . 20 1 1 A 91 91 ASN CA C 91 52.041 52.600 -0.559 1
1 1145 . 20 1 1 A 91 91 ASN CB C 91 38.072 37.523 0.549 1
1 1146 . 20 1 1 A 91 91 ASN N N 91 118.171 116.091 2.080 1
1 10 . 21 1 1 A 2 2 GLU H H 2 8.776 9.026 -0.250 1
1 11 . 21 1 1 A 2 2 GLU HA H 2 4.535 4.575 -0.040 1
1 16 . 21 1 1 A 2 2 GLU C C 2 175.627 176.382 -0.755 1
1 17 . 21 1 1 A 2 2 GLU CA C 2 55.573 57.888 -2.315 1
1 18 . 21 1 1 A 2 2 GLU CB C 2 30.569 31.275 -0.706 1
1 20 . 21 1 1 A 2 2 GLU N N 2 124.305 123.890 0.415 1
1 21 . 21 1 1 A 3 3 THR H H 3 8.835 7.523 1.312 1
1 22 . 21 1 1 A 3 3 THR HA H 3 4.608 4.470 0.138 1
1 27 . 21 1 1 A 3 3 THR CA C 3 59.187 59.514 -0.327 1
1 28 . 21 1 1 A 3 3 THR CB C 3 67.385 70.593 -3.208 1
1 30 . 21 1 1 A 3 3 THR N N 3 116.176 109.704 6.472 1
1 31 . 21 1 1 A 4 4 PRO HA H 4 4.158 4.478 -0.320 1
1 38 . 21 1 1 A 4 4 PRO C C 4 179.327 178.261 1.066 1
1 39 . 21 1 1 A 4 4 PRO CA C 4 65.040 64.460 0.580 1
1 40 . 21 1 1 A 4 4 PRO CB C 4 30.616 31.983 -1.367 1
1 43 . 21 1 1 A 5 5 LEU H H 5 8.794 7.101 1.693 1
1 44 . 21 1 1 A 5 5 LEU HA H 5 3.944 4.000 -0.056 1
1 54 . 21 1 1 A 5 5 LEU C C 5 177.327 178.645 -1.318 1
1 55 . 21 1 1 A 5 5 LEU CA C 5 56.920 57.451 -0.531 1
1 56 . 21 1 1 A 5 5 LEU CB C 5 41.139 41.564 -0.425 1
1 60 . 21 1 1 A 5 5 LEU N N 5 118.892 118.112 0.780 1
1 61 . 21 1 1 A 6 6 GLU H H 6 7.664 8.194 -0.530 1
1 62 . 21 1 1 A 6 6 GLU HA H 6 3.744 3.914 -0.170 1
1 67 . 21 1 1 A 6 6 GLU C C 6 178.827 179.096 -0.269 1
1 68 . 21 1 1 A 6 6 GLU CA C 6 59.347 59.774 -0.427 1
1 69 . 21 1 1 A 6 6 GLU CB C 6 28.700 29.299 -0.599 1
1 71 . 21 1 1 A 6 6 GLU N N 6 118.741 118.174 0.567 1
1 72 . 21 1 1 A 7 7 LYS H H 7 8.435 8.227 0.208 1
1 73 . 21 1 1 A 7 7 LYS HA H 7 3.909 4.116 -0.207 1
1 82 . 21 1 1 A 7 7 LYS C C 7 178.527 179.250 -0.723 1
1 83 . 21 1 1 A 7 7 LYS CA C 7 58.539 58.932 -0.393 1
1 84 . 21 1 1 A 7 7 LYS CB C 7 31.217 31.644 -0.427 1
1 88 . 21 1 1 A 7 7 LYS N N 7 119.285 119.583 -0.298 1
1 89 . 21 1 1 A 8 8 ALA H H 8 8.008 7.819 0.189 1
1 90 . 21 1 1 A 8 8 ALA HA H 8 4.038 4.066 -0.028 1
1 94 . 21 1 1 A 8 8 ALA C C 8 178.327 180.375 -2.048 1
1 95 . 21 1 1 A 8 8 ALA CA C 8 54.356 54.820 -0.464 1
1 96 . 21 1 1 A 8 8 ALA CB C 8 17.509 18.195 -0.686 1
1 97 . 21 1 1 A 8 8 ALA N N 8 123.866 122.746 1.120 1
1 98 . 21 1 1 A 9 9 LEU H H 9 8.163 8.429 -0.266 1
1 99 . 21 1 1 A 9 9 LEU HA H 9 3.809 3.964 -0.155 1
1 109 . 21 1 1 A 9 9 LEU C C 9 178.527 179.284 -0.757 1
1 110 . 21 1 1 A 9 9 LEU CA C 9 57.256 58.085 -0.829 1
1 111 . 21 1 1 A 9 9 LEU CB C 9 40.483 41.667 -1.184 1
1 115 . 21 1 1 A 9 9 LEU N N 9 119.134 118.131 1.003 1
1 116 . 21 1 1 A 10 10 THR H H 10 8.186 8.352 -0.166 1
1 117 . 21 1 1 A 10 10 THR HA H 10 3.741 3.908 -0.167 1
1 122 . 21 1 1 A 10 10 THR C C 10 176.727 176.817 -0.090 1
1 123 . 21 1 1 A 10 10 THR CA C 10 66.345 66.494 -0.149 1
1 124 . 21 1 1 A 10 10 THR CB C 10 67.558 68.573 -1.015 1
1 126 . 21 1 1 A 10 10 THR N N 10 114.355 116.007 -1.652 1
1 127 . 21 1 1 A 11 11 THR H H 11 8.387 8.212 0.175 1
1 128 . 21 1 1 A 11 11 THR HA H 11 3.963 3.943 0.020 1
1 133 . 21 1 1 A 11 11 THR C C 11 176.827 175.815 1.012 1
1 134 . 21 1 1 A 11 11 THR CA C 11 65.801 66.839 -1.038 1
1 135 . 21 1 1 A 11 11 THR CB C 11 67.140 68.098 -0.958 1
1 137 . 21 1 1 A 11 11 THR N N 11 120.801 117.163 3.638 1
1 138 . 21 1 1 A 12 12 MET H H 12 8.299 8.362 -0.063 1
1 139 . 21 1 1 A 12 12 MET HA H 12 3.872 4.192 -0.320 1
1 147 . 21 1 1 A 12 12 MET C C 12 177.827 178.501 -0.674 1
1 148 . 21 1 1 A 12 12 MET CA C 12 59.263 58.794 0.469 1
1 149 . 21 1 1 A 12 12 MET CB C 12 31.845 32.209 -0.364 1
1 152 . 21 1 1 A 12 12 MET N N 12 124.102 120.285 3.817 1
1 153 . 21 1 1 A 13 13 VAL H H 13 7.820 8.107 -0.287 1
1 154 . 21 1 1 A 13 13 VAL HA H 13 3.937 3.778 0.159 1
1 162 . 21 1 1 A 13 13 VAL C C 13 177.127 178.530 -1.403 1
1 163 . 21 1 1 A 13 13 VAL CA C 13 65.677 66.485 -0.808 1
1 164 . 21 1 1 A 13 13 VAL CB C 13 31.656 31.532 0.124 1
1 167 . 21 1 1 A 13 13 VAL N N 13 119.838 119.077 0.761 1
1 168 . 21 1 1 A 14 14 THR H H 14 9.107 8.433 0.674 1
1 169 . 21 1 1 A 14 14 THR HA H 14 3.654 4.000 -0.346 1
1 174 . 21 1 1 A 14 14 THR C C 14 177.527 176.691 0.836 1
1 175 . 21 1 1 A 14 14 THR CA C 14 65.273 66.436 -1.163 1
1 176 . 21 1 1 A 14 14 THR CB C 14 67.652 68.781 -1.129 1
1 178 . 21 1 1 A 14 14 THR N N 14 112.247 117.121 -4.874 1
1 179 . 21 1 1 A 15 15 THR H H 15 8.189 8.279 -0.090 1
1 180 . 21 1 1 A 15 15 THR HA H 15 3.864 4.118 -0.254 1
1 186 . 21 1 1 A 15 15 THR C C 15 173.627 176.795 -3.168 1
1 187 . 21 1 1 A 15 15 THR CA C 15 66.930 65.735 1.195 1
1 188 . 21 1 1 A 15 15 THR CB C 15 66.539 68.509 -1.970 1
1 190 . 21 1 1 A 15 15 THR N N 15 117.691 113.636 4.055 1
1 191 . 21 1 1 A 16 16 PHE H H 16 6.850 8.205 -1.355 1
1 192 . 21 1 1 A 16 16 PHE HA H 16 3.417 4.025 -0.608 1
1 199 . 21 1 1 A 16 16 PHE C C 16 175.627 177.359 -1.732 1
1 200 . 21 1 1 A 16 16 PHE CA C 16 61.577 61.885 -0.308 1
1 201 . 21 1 1 A 16 16 PHE CB C 16 38.177 38.959 -0.782 1
1 202 . 21 1 1 A 16 16 PHE N N 16 120.169 122.665 -2.496 1
1 203 . 21 1 1 A 17 17 HIS H H 17 6.924 7.847 -0.923 1
1 204 . 21 1 1 A 17 17 HIS HA H 17 4.755 4.485 0.270 1
1 207 . 21 1 1 A 17 17 HIS C C 17 176.227 177.753 -1.526 1
1 208 . 21 1 1 A 17 17 HIS CA C 17 56.810 59.441 -2.631 1
1 209 . 21 1 1 A 17 17 HIS CB C 17 29.597 30.008 -0.411 1
1 210 . 21 1 1 A 17 17 HIS N N 17 115.499 116.745 -1.246 1
1 211 . 21 1 1 A 18 18 LYS H H 18 7.888 8.030 -0.142 1
1 212 . 21 1 1 A 18 18 LYS HA H 18 3.870 3.779 0.091 1
1 221 . 21 1 1 A 18 18 LYS C C 18 176.927 179.071 -2.144 1
1 222 . 21 1 1 A 18 18 LYS CA C 18 57.897 59.311 -1.414 1
1 223 . 21 1 1 A 18 18 LYS CB C 18 31.582 32.000 -0.418 1
1 227 . 21 1 1 A 18 18 LYS N N 18 121.217 120.452 0.765 1
1 228 . 21 1 1 A 19 19 TYR H H 19 6.928 8.092 -1.164 1
1 229 . 21 1 1 A 19 19 TYR HA H 19 4.163 4.137 0.026 1
1 234 . 21 1 1 A 19 19 TYR C C 19 175.027 177.584 -2.557 1
1 235 . 21 1 1 A 19 19 TYR CA C 19 59.335 60.922 -1.587 1
1 236 . 21 1 1 A 19 19 TYR CB C 19 39.515 37.818 1.697 1
1 237 . 21 1 1 A 19 19 TYR N N 19 114.488 119.084 -4.596 1
1 238 . 21 1 1 A 20 20 SER H H 20 8.021 8.106 -0.085 1
1 239 . 21 1 1 A 20 20 SER HA H 20 3.105 4.257 -1.152 1
1 242 . 21 1 1 A 20 20 SER C C 20 176.527 176.371 0.156 1
1 243 . 21 1 1 A 20 20 SER CA C 20 60.457 60.121 0.336 1
1 244 . 21 1 1 A 20 20 SER CB C 20 60.326 62.529 -2.203 1
1 245 . 21 1 1 A 20 20 SER N N 20 112.624 115.589 -2.965 1
1 246 . 21 1 1 A 21 21 GLY H H 21 7.908 8.444 -0.536 1
1 247 . 21 1 1 A 21 21 GLY HA2 H 21 4.197 3.862 0.335 1
1 248 . 21 1 1 A 21 21 GLY HA3 H 21 3.761 3.886 -0.125 1
1 249 . 21 1 1 A 21 21 GLY C C 21 173.027 175.493 -2.466 1
1 250 . 21 1 1 A 21 21 GLY CA C 21 44.357 46.514 -2.157 1
1 251 . 21 1 1 A 21 21 GLY N N 21 112.095 108.191 3.904 1
1 252 . 21 1 1 A 22 22 ARG H H 22 7.470 7.589 -0.119 1
1 253 . 21 1 1 A 22 22 ARG HA H 22 3.956 4.025 -0.069 1
1 260 . 21 1 1 A 22 22 ARG C C 22 176.327 175.721 0.606 1
1 261 . 21 1 1 A 22 22 ARG CA C 22 58.189 58.628 -0.439 1
1 262 . 21 1 1 A 22 22 ARG CB C 22 29.483 30.815 -1.332 1
1 265 . 21 1 1 A 22 22 ARG N N 22 122.481 121.333 1.148 1
1 266 . 21 1 1 A 23 23 GLU H H 23 9.412 7.815 1.597 1
1 267 . 21 1 1 A 23 23 GLU HA H 23 4.626 4.527 0.099 1
1 272 . 21 1 1 A 23 23 GLU C C 23 175.027 176.048 -1.021 1
1 273 . 21 1 1 A 23 23 GLU CA C 23 53.319 55.383 -2.064 1
1 274 . 21 1 1 A 23 23 GLU CB C 23 32.032 29.942 2.090 1
1 276 . 21 1 1 A 23 23 GLU N N 23 116.123 113.793 2.330 1
1 277 . 21 1 1 A 24 24 GLY H H 24 9.080 8.594 0.486 1
1 278 . 21 1 1 A 24 24 GLY HA2 H 24 3.694 3.860 -0.166 1
1 279 . 21 1 1 A 24 24 GLY HA3 H 24 3.878 3.898 -0.020 1
1 280 . 21 1 1 A 24 24 GLY C C 24 172.827 173.625 -0.798 1
1 281 . 21 1 1 A 24 24 GLY CA C 24 44.707 45.954 -1.247 1
1 282 . 21 1 1 A 24 24 GLY N N 24 114.015 109.054 4.961 1
1 283 . 21 1 1 A 25 25 SER H H 25 8.465 8.618 -0.153 1
1 284 . 21 1 1 A 25 25 SER HA H 25 4.312 4.657 -0.345 1
1 287 . 21 1 1 A 25 25 SER C C 25 178.027 175.460 2.567 1
1 288 . 21 1 1 A 25 25 SER CA C 25 57.478 57.664 -0.186 1
1 289 . 21 1 1 A 25 25 SER CB C 25 61.941 64.498 -2.557 1
1 290 . 21 1 1 A 25 25 SER N N 25 117.299 118.365 -1.066 1
1 291 . 21 1 1 A 26 26 LYS H H 26 9.532 8.900 0.632 1
1 292 . 21 1 1 A 26 26 LYS HA H 26 4.660 4.095 0.565 1
1 301 . 21 1 1 A 26 26 LYS C C 26 176.127 178.274 -2.147 1
1 302 . 21 1 1 A 26 26 LYS CA C 26 56.928 58.733 -1.805 1
1 303 . 21 1 1 A 26 26 LYS CB C 26 30.526 32.199 -1.673 1
1 307 . 21 1 1 A 26 26 LYS N N 26 131.209 124.387 6.822 1
1 308 . 21 1 1 A 27 27 LEU H H 27 8.643 7.856 0.787 1
1 309 . 21 1 1 A 27 27 LEU HA H 27 4.583 4.827 -0.244 1
1 319 . 21 1 1 A 27 27 LEU C C 27 174.827 175.719 -0.892 1
1 320 . 21 1 1 A 27 27 LEU CA C 27 53.205 55.563 -2.358 1
1 321 . 21 1 1 A 27 27 LEU CB C 27 41.824 41.747 0.077 1
1 325 . 21 1 1 A 27 27 LEU N N 27 118.729 114.825 3.904 1
1 326 . 21 1 1 A 28 28 THR H H 28 7.037 7.513 -0.476 1
1 327 . 21 1 1 A 28 28 THR HA H 28 5.168 5.444 -0.276 1
1 332 . 21 1 1 A 28 28 THR C C 28 172.727 172.022 0.705 1
1 333 . 21 1 1 A 28 28 THR CA C 28 57.915 60.195 -2.280 1
1 334 . 21 1 1 A 28 28 THR CB C 28 71.934 71.972 -0.038 1
1 336 . 21 1 1 A 28 28 THR N N 28 104.663 109.657 -4.994 1
1 337 . 21 1 1 A 29 29 LEU H H 29 9.517 9.314 0.203 1
1 338 . 21 1 1 A 29 29 LEU HA H 29 5.196 4.907 0.289 1
1 348 . 21 1 1 A 29 29 LEU C C 29 175.527 175.873 -0.346 1
1 349 . 21 1 1 A 29 29 LEU CA C 29 51.653 53.657 -2.004 1
1 350 . 21 1 1 A 29 29 LEU CB C 29 42.301 43.255 -0.954 1
1 354 . 21 1 1 A 29 29 LEU N N 29 125.388 125.050 0.338 1
1 355 . 21 1 1 A 30 30 SER H H 30 10.053 8.459 1.594 1
1 356 . 21 1 1 A 30 30 SER HA H 30 4.475 4.719 -0.244 1
1 359 . 21 1 1 A 30 30 SER C C 30 173.427 175.385 -1.958 1
1 360 . 21 1 1 A 30 30 SER CA C 30 55.011 58.111 -3.100 1
1 361 . 21 1 1 A 30 30 SER CB C 30 64.446 63.782 0.664 1
1 362 . 21 1 1 A 30 30 SER N N 30 121.114 120.152 0.962 1
1 363 . 21 1 1 A 31 31 ARG H H 31 8.992 8.945 0.047 1
1 364 . 21 1 1 A 31 31 ARG HA H 31 3.923 3.902 0.021 1
1 371 . 21 1 1 A 31 31 ARG C C 31 177.027 178.099 -1.072 1
1 372 . 21 1 1 A 31 31 ARG CA C 31 59.408 59.805 -0.397 1
1 373 . 21 1 1 A 31 31 ARG CB C 31 29.041 30.184 -1.143 1
1 376 . 21 1 1 A 31 31 ARG N N 31 120.513 125.830 -5.317 1
1 377 . 21 1 1 A 32 32 LYS H H 32 7.845 8.307 -0.462 1
1 378 . 21 1 1 A 32 32 LYS HA H 32 3.826 4.088 -0.262 1
1 387 . 21 1 1 A 32 32 LYS C C 32 178.927 178.475 0.452 1
1 388 . 21 1 1 A 32 32 LYS CA C 32 58.677 58.593 0.084 1
1 389 . 21 1 1 A 32 32 LYS CB C 32 31.964 31.364 0.600 1
1 393 . 21 1 1 A 32 32 LYS N N 32 117.011 118.049 -1.038 1
1 394 . 21 1 1 A 33 33 GLU H H 33 7.612 8.180 -0.568 1
1 395 . 21 1 1 A 33 33 GLU HA H 33 3.954 4.145 -0.191 1
1 400 . 21 1 1 A 33 33 GLU C C 33 177.227 178.610 -1.383 1
1 401 . 21 1 1 A 33 33 GLU CA C 33 58.289 58.315 -0.026 1
1 402 . 21 1 1 A 33 33 GLU CB C 33 29.757 30.136 -0.379 1
1 404 . 21 1 1 A 33 33 GLU N N 33 120.815 119.536 1.279 1
1 405 . 21 1 1 A 34 34 LEU H H 34 8.694 8.369 0.325 1
1 406 . 21 1 1 A 34 34 LEU HA H 34 3.811 3.968 -0.157 1
1 416 . 21 1 1 A 34 34 LEU C C 34 176.927 178.448 -1.521 1
1 417 . 21 1 1 A 34 34 LEU CA C 34 57.025 57.567 -0.542 1
1 418 . 21 1 1 A 34 34 LEU CB C 34 40.638 40.918 -0.280 1
1 422 . 21 1 1 A 34 34 LEU N N 34 119.291 120.834 -1.543 1
1 423 . 21 1 1 A 35 35 LYS H H 35 8.114 8.553 -0.439 1
1 424 . 21 1 1 A 35 35 LYS HA H 35 3.569 4.023 -0.454 1
1 433 . 21 1 1 A 35 35 LYS C C 35 177.027 178.754 -1.727 1
1 434 . 21 1 1 A 35 35 LYS CA C 35 59.419 58.393 1.026 1
1 435 . 21 1 1 A 35 35 LYS CB C 35 31.271 31.154 0.117 1
1 439 . 21 1 1 A 35 35 LYS N N 35 117.277 117.760 -0.483 1
1 440 . 21 1 1 A 36 36 GLU H H 36 7.560 7.770 -0.210 1
1 441 . 21 1 1 A 36 36 GLU HA H 36 3.845 4.112 -0.267 1
1 446 . 21 1 1 A 36 36 GLU C C 36 175.827 178.568 -2.741 1
1 447 . 21 1 1 A 36 36 GLU CA C 36 58.190 58.760 -0.570 1
1 448 . 21 1 1 A 36 36 GLU CB C 36 28.253 29.572 -1.319 1
1 450 . 21 1 1 A 36 36 GLU N N 36 119.302 120.400 -1.098 1
1 451 . 21 1 1 A 37 37 LEU H H 37 7.682 7.578 0.104 1
1 452 . 21 1 1 A 37 37 LEU HA H 37 2.280 3.044 -0.764 1
1 462 . 21 1 1 A 37 37 LEU C C 37 178.327 178.248 0.079 1
1 463 . 21 1 1 A 37 37 LEU CA C 37 58.225 58.088 0.137 1
1 464 . 21 1 1 A 37 37 LEU CB C 37 41.090 41.383 -0.293 1
1 468 . 21 1 1 A 37 37 LEU N N 37 121.690 121.116 0.574 1
1 469 . 21 1 1 A 38 38 ILE H H 38 8.157 7.940 0.217 1
1 470 . 21 1 1 A 38 38 ILE HA H 38 3.292 3.682 -0.390 1
1 480 . 21 1 1 A 38 38 ILE C C 38 177.027 177.910 -0.883 1
1 481 . 21 1 1 A 38 38 ILE CA C 38 65.007 65.540 -0.533 1
1 482 . 21 1 1 A 38 38 ILE CB C 38 37.187 38.078 -0.891 1
1 486 . 21 1 1 A 38 38 ILE N N 38 117.626 120.023 -2.397 1
1 487 . 21 1 1 A 39 39 LYS H H 39 8.068 7.987 0.081 1
1 488 . 21 1 1 A 39 39 LYS HA H 39 3.876 4.088 -0.212 1
1 497 . 21 1 1 A 39 39 LYS C C 39 177.927 178.487 -0.560 1
1 498 . 21 1 1 A 39 39 LYS CA C 39 58.204 58.670 -0.466 1
1 499 . 21 1 1 A 39 39 LYS CB C 39 31.731 32.261 -0.530 1
1 503 . 21 1 1 A 39 39 LYS N N 39 117.909 120.576 -2.667 1
1 504 . 21 1 1 A 40 40 LYS H H 40 8.094 7.492 0.602 1
1 505 . 21 1 1 A 40 40 LYS HA H 40 4.248 4.266 -0.018 1
1 514 . 21 1 1 A 40 40 LYS C C 40 178.227 177.879 0.348 1
1 515 . 21 1 1 A 40 40 LYS CA C 40 56.291 58.025 -1.734 1
1 516 . 21 1 1 A 40 40 LYS CB C 40 32.652 33.328 -0.676 1
1 520 . 21 1 1 A 40 40 LYS N N 40 114.323 117.842 -3.519 1
1 521 . 21 1 1 A 41 41 GLU H H 41 8.381 8.326 0.055 1
1 522 . 21 1 1 A 41 41 GLU HA H 41 4.744 4.510 0.234 1
1 527 . 21 1 1 A 41 41 GLU C C 41 176.227 177.383 -1.156 1
1 528 . 21 1 1 A 41 41 GLU CA C 41 55.054 57.559 -2.505 1
1 529 . 21 1 1 A 41 41 GLU CB C 41 29.598 30.939 -1.341 1
1 531 . 21 1 1 A 41 41 GLU N N 41 113.079 116.488 -3.409 1
1 532 . 21 1 1 A 42 42 LEU H H 42 7.544 8.054 -0.510 1
1 533 . 21 1 1 A 42 42 LEU HA H 42 4.754 4.677 0.077 1
1 542 . 21 1 1 A 42 42 LEU CA C 42 52.564 53.901 -1.337 1
1 543 . 21 1 1 A 42 42 LEU CB C 42 43.848 40.617 3.231 1
1 546 . 21 1 1 A 42 42 LEU N N 42 118.458 118.437 0.021 1
1 547 . 21 1 1 A 43 43 CYS H H 43 8.342 8.296 0.046 1
1 548 . 21 1 1 A 43 43 CYS HA H 43 4.486 4.020 0.466 1
1 551 . 21 1 1 A 43 43 CYS C C 43 174.327 175.307 -0.980 1
1 552 . 21 1 1 A 43 43 CYS CA C 43 57.655 63.234 -5.579 1
1 553 . 21 1 1 A 43 43 CYS CB C 43 25.653 27.470 -1.817 1
1 554 . 21 1 1 A 44 44 LEU H H 44 8.123 7.851 0.272 1
1 555 . 21 1 1 A 44 44 LEU HA H 44 4.339 4.386 -0.047 1
1 565 . 21 1 1 A 44 44 LEU C C 44 176.927 177.387 -0.460 1
1 566 . 21 1 1 A 44 44 LEU CA C 44 53.750 56.502 -2.752 1
1 567 . 21 1 1 A 44 44 LEU CB C 44 40.784 40.962 -0.178 1
1 571 . 21 1 1 A 44 44 LEU N N 44 121.974 118.194 3.780 1
1 572 . 21 1 1 A 45 45 GLY H H 45 8.072 8.840 -0.768 1
1 573 . 21 1 1 A 45 45 GLY HA2 H 45 3.889 3.785 0.104 1
1 574 . 21 1 1 A 45 45 GLY HA3 H 45 3.698 3.844 -0.146 1
1 575 . 21 1 1 A 45 45 GLY C C 45 173.127 174.418 -1.291 1
1 576 . 21 1 1 A 45 45 GLY CA C 45 44.291 46.528 -2.237 1
1 577 . 21 1 1 A 45 45 GLY N N 45 107.819 111.790 -3.971 1
1 578 . 21 1 1 A 46 46 GLU H H 46 8.472 7.550 0.922 1
1 579 . 21 1 1 A 46 46 GLU HA H 46 4.048 4.489 -0.441 1
1 584 . 21 1 1 A 46 46 GLU C C 46 175.727 176.456 -0.729 1
1 585 . 21 1 1 A 46 46 GLU CA C 46 56.461 55.625 0.836 1
1 586 . 21 1 1 A 46 46 GLU CB C 46 28.208 30.632 -2.424 1
1 588 . 21 1 1 A 46 46 GLU N N 46 120.563 120.890 -0.327 1
1 589 . 21 1 1 A 47 47 MET H H 47 8.189 8.714 -0.525 1
1 590 . 21 1 1 A 47 47 MET HA H 47 4.413 3.998 0.415 1
1 598 . 21 1 1 A 47 47 MET C C 47 175.027 175.395 -0.368 1
1 599 . 21 1 1 A 47 47 MET CA C 47 53.905 55.868 -1.963 1
1 600 . 21 1 1 A 47 47 MET CB C 47 32.611 31.451 1.160 1
1 603 . 21 1 1 A 47 47 MET N N 47 123.201 116.967 6.234 1
1 604 . 21 1 1 A 48 48 LYS H H 48 8.355 8.270 0.085 1
1 605 . 21 1 1 A 48 48 LYS HA H 48 4.237 4.598 -0.361 1
1 614 . 21 1 1 A 48 48 LYS C C 48 177.027 177.115 -0.088 1
1 615 . 21 1 1 A 48 48 LYS CA C 48 55.443 55.159 0.284 1
1 616 . 21 1 1 A 48 48 LYS CB C 48 32.173 34.034 -1.861 1
1 620 . 21 1 1 A 48 48 LYS N N 48 123.046 122.092 0.954 1
1 621 . 21 1 1 A 49 49 GLU H H 49 8.742 9.146 -0.404 1
1 622 . 21 1 1 A 49 49 GLU HA H 49 3.884 3.907 -0.023 1
1 627 . 21 1 1 A 49 49 GLU C C 49 177.727 178.442 -0.715 1
1 628 . 21 1 1 A 49 49 GLU CA C 49 58.534 60.523 -1.989 1
1 629 . 21 1 1 A 49 49 GLU CB C 49 27.870 29.581 -1.711 1
1 631 . 21 1 1 A 49 49 GLU N N 49 122.407 126.755 -4.348 1
1 632 . 21 1 1 A 50 50 SER H H 50 8.324 8.073 0.251 1
1 633 . 21 1 1 A 50 50 SER HA H 50 4.188 4.244 -0.056 1
1 636 . 21 1 1 A 50 50 SER C C 50 175.427 176.420 -0.993 1
1 637 . 21 1 1 A 50 50 SER CA C 50 59.402 60.842 -1.440 1
1 638 . 21 1 1 A 50 50 SER CB C 50 61.442 63.102 -1.660 1
1 639 . 21 1 1 A 50 50 SER N N 50 112.475 114.482 -2.007 1
1 640 . 21 1 1 A 51 51 SER H H 51 7.400 8.413 -1.013 1
1 641 . 21 1 1 A 51 51 SER HA H 51 3.926 4.329 -0.403 1
1 644 . 21 1 1 A 51 51 SER C C 51 176.027 176.182 -0.155 1
1 645 . 21 1 1 A 51 51 SER CA C 51 59.762 60.896 -1.134 1
1 646 . 21 1 1 A 51 51 SER CB C 51 60.955 63.022 -2.067 1
1 647 . 21 1 1 A 51 51 SER N N 51 118.432 115.132 3.300 1
1 648 . 21 1 1 A 52 52 ILE H H 52 7.790 8.086 -0.296 1
1 649 . 21 1 1 A 52 52 ILE HA H 52 3.642 3.735 -0.093 1
1 659 . 21 1 1 A 52 52 ILE C C 52 176.427 177.841 -1.414 1
1 660 . 21 1 1 A 52 52 ILE CA C 52 61.984 63.718 -1.734 1
1 661 . 21 1 1 A 52 52 ILE CB C 52 34.990 37.368 -2.378 1
1 665 . 21 1 1 A 52 52 ILE N N 52 123.838 120.422 3.416 1
1 666 . 21 1 1 A 53 53 ASP H H 53 8.092 8.284 -0.192 1
1 667 . 21 1 1 A 53 53 ASP HA H 53 4.225 4.293 -0.068 1
1 670 . 21 1 1 A 53 53 ASP C C 53 178.227 178.405 -0.178 1
1 671 . 21 1 1 A 53 53 ASP CA C 53 56.606 57.492 -0.886 1
1 672 . 21 1 1 A 53 53 ASP CB C 53 39.034 40.967 -1.933 1
1 673 . 21 1 1 A 53 53 ASP N N 53 121.313 122.350 -1.037 1
1 674 . 21 1 1 A 54 54 ASP H H 54 7.811 8.093 -0.282 1
1 675 . 21 1 1 A 54 54 ASP HA H 54 4.253 4.353 -0.100 1
1 678 . 21 1 1 A 54 54 ASP C C 54 177.927 178.317 -0.390 1
1 679 . 21 1 1 A 54 54 ASP CA C 54 56.467 57.250 -0.783 1
1 680 . 21 1 1 A 54 54 ASP CB C 54 39.401 41.068 -1.667 1
1 681 . 21 1 1 A 54 54 ASP N N 54 120.122 119.599 0.523 1
1 682 . 21 1 1 A 55 55 LEU H H 55 7.789 7.999 -0.210 1
1 683 . 21 1 1 A 55 55 LEU HA H 55 3.979 3.984 -0.005 1
1 693 . 21 1 1 A 55 55 LEU C C 55 178.027 178.344 -0.317 1
1 694 . 21 1 1 A 55 55 LEU CA C 55 56.713 58.455 -1.742 1
1 695 . 21 1 1 A 55 55 LEU CB C 55 40.799 41.734 -0.935 1
1 699 . 21 1 1 A 55 55 LEU N N 55 122.944 120.582 2.362 1
1 700 . 21 1 1 A 56 56 MET H H 56 8.601 8.724 -0.123 1
1 701 . 21 1 1 A 56 56 MET HA H 56 3.827 4.021 -0.194 1
1 709 . 21 1 1 A 56 56 MET C C 56 177.027 178.146 -1.119 1
1 710 . 21 1 1 A 56 56 MET CA C 56 57.116 58.535 -1.419 1
1 711 . 21 1 1 A 56 56 MET CB C 56 29.825 32.725 -2.900 1
1 714 . 21 1 1 A 56 56 MET N N 56 117.863 117.603 0.260 1
1 715 . 21 1 1 A 57 57 LYS H H 57 7.693 8.196 -0.503 1
1 716 . 21 1 1 A 57 57 LYS HA H 57 3.954 4.103 -0.149 1
1 725 . 21 1 1 A 57 57 LYS C C 57 178.127 178.330 -0.203 1
1 726 . 21 1 1 A 57 57 LYS CA C 57 58.352 58.890 -0.538 1
1 727 . 21 1 1 A 57 57 LYS CB C 57 31.315 31.942 -0.627 1
1 731 . 21 1 1 A 57 57 LYS N N 57 116.455 121.226 -4.771 1
1 732 . 21 1 1 A 58 58 SER H H 58 7.661 7.950 -0.289 1
1 733 . 21 1 1 A 58 58 SER HA H 58 4.115 4.368 -0.253 1
1 736 . 21 1 1 A 58 58 SER C C 58 174.827 176.884 -2.057 1
1 737 . 21 1 1 A 58 58 SER CA C 58 59.986 61.075 -1.089 1
1 738 . 21 1 1 A 58 58 SER CB C 58 62.464 63.090 -0.626 1
1 739 . 21 1 1 A 58 58 SER N N 58 113.020 114.885 -1.865 1
1 740 . 21 1 1 A 59 59 LEU H H 59 7.917 7.981 -0.064 1
1 741 . 21 1 1 A 59 59 LEU HA H 59 4.269 4.144 0.125 1
1 751 . 21 1 1 A 59 59 LEU C C 59 177.627 177.648 -0.021 1
1 752 . 21 1 1 A 59 59 LEU CA C 59 54.402 57.601 -3.199 1
1 753 . 21 1 1 A 59 59 LEU CB C 59 43.731 41.755 1.976 1
1 757 . 21 1 1 A 59 59 LEU N N 59 117.463 119.786 -2.323 1
1 758 . 21 1 1 A 60 60 ASP H H 60 8.025 8.007 0.018 1
1 759 . 21 1 1 A 60 60 ASP HA H 60 4.566 4.915 -0.349 1
1 762 . 21 1 1 A 60 60 ASP C C 60 176.627 176.368 0.259 1
1 763 . 21 1 1 A 60 60 ASP CA C 60 52.335 53.574 -1.239 1
1 764 . 21 1 1 A 60 60 ASP CB C 60 38.139 40.914 -2.775 1
1 765 . 21 1 1 A 60 60 ASP N N 60 117.588 118.187 -0.599 1
1 766 . 21 1 1 A 61 61 LYS H H 61 8.100 8.269 -0.169 1
1 767 . 21 1 1 A 61 61 LYS HA H 61 4.035 3.961 0.074 1
1 776 . 21 1 1 A 61 61 LYS C C 61 176.727 177.878 -1.151 1
1 777 . 21 1 1 A 61 61 LYS CA C 61 56.887 58.618 -1.731 1
1 778 . 21 1 1 A 61 61 LYS CB C 61 31.653 32.510 -0.857 1
1 782 . 21 1 1 A 61 61 LYS N N 61 126.943 126.941 0.002 1
1 783 . 21 1 1 A 62 62 ASN H H 62 7.864 7.747 0.117 1
1 784 . 21 1 1 A 62 62 ASN HA H 62 4.759 4.751 0.008 1
1 789 . 21 1 1 A 62 62 ASN C C 62 173.727 175.414 -1.687 1
1 790 . 21 1 1 A 62 62 ASN CA C 62 50.660 53.897 -3.237 1
1 791 . 21 1 1 A 62 62 ASN CB C 62 35.920 39.174 -3.254 1
1 792 . 21 1 1 A 62 62 ASN N N 62 113.588 115.272 -1.684 1
1 794 . 21 1 1 A 63 63 SER H H 63 7.613 8.222 -0.609 1
1 795 . 21 1 1 A 63 63 SER HA H 63 3.962 4.093 -0.131 1
1 798 . 21 1 1 A 63 63 SER C C 63 172.927 173.932 -1.005 1
1 799 . 21 1 1 A 63 63 SER CA C 63 58.262 59.208 -0.946 1
1 800 . 21 1 1 A 63 63 SER CB C 63 60.708 62.059 -1.351 1
1 801 . 21 1 1 A 63 63 SER N N 63 111.592 113.670 -2.078 1
1 802 . 21 1 1 A 64 64 ASP H H 64 8.217 8.110 0.107 1
1 803 . 21 1 1 A 64 64 ASP HA H 64 4.653 4.964 -0.311 1
1 806 . 21 1 1 A 64 64 ASP C C 64 175.927 175.963 -0.036 1
1 807 . 21 1 1 A 64 64 ASP CA C 64 51.641 52.786 -1.145 1
1 808 . 21 1 1 A 64 64 ASP CB C 64 39.385 41.133 -1.748 1
1 809 . 21 1 1 A 64 64 ASP N N 64 118.913 118.649 0.264 1
1 810 . 21 1 1 A 65 65 GLN H H 65 10.239 8.216 2.023 1
1 811 . 21 1 1 A 65 65 GLN HA H 65 3.356 4.547 -1.191 1
1 818 . 21 1 1 A 65 65 GLN C C 65 172.627 175.191 -2.564 1
1 819 . 21 1 1 A 65 65 GLN CA C 65 56.325 55.637 0.688 1
1 820 . 21 1 1 A 65 65 GLN CB C 65 24.910 30.959 -6.049 1
1 822 . 21 1 1 A 65 65 GLN N N 65 114.908 118.161 -3.253 1
1 824 . 21 1 1 A 66 66 GLU H H 66 7.710 8.377 -0.667 1
1 825 . 21 1 1 A 66 66 GLU HA H 66 4.691 4.806 -0.115 1
1 830 . 21 1 1 A 66 66 GLU C C 66 174.127 175.482 -1.355 1
1 831 . 21 1 1 A 66 66 GLU CA C 66 52.987 55.422 -2.435 1
1 832 . 21 1 1 A 66 66 GLU CB C 66 32.433 31.559 0.874 1
1 834 . 21 1 1 A 66 66 GLU N N 66 115.721 119.411 -3.690 1
1 835 . 21 1 1 A 67 67 ILE H H 67 9.938 8.681 1.257 1
1 836 . 21 1 1 A 67 67 ILE HA H 67 5.291 4.596 0.695 1
1 846 . 21 1 1 A 67 67 ILE C C 67 175.627 175.389 0.238 1
1 847 . 21 1 1 A 67 67 ILE CA C 67 56.241 60.686 -4.445 1
1 848 . 21 1 1 A 67 67 ILE CB C 67 35.492 37.195 -1.703 1
1 852 . 21 1 1 A 67 67 ILE N N 67 125.901 125.857 0.044 1
1 853 . 21 1 1 A 68 68 ASP H H 68 8.794 8.507 0.287 1
1 854 . 21 1 1 A 68 68 ASP HA H 68 5.002 4.757 0.245 1
1 857 . 21 1 1 A 68 68 ASP C C 68 174.427 177.611 -3.184 1
1 858 . 21 1 1 A 68 68 ASP CA C 68 51.563 54.854 -3.291 1
1 859 . 21 1 1 A 68 68 ASP CB C 68 40.493 43.092 -2.599 1
1 860 . 21 1 1 A 68 68 ASP N N 68 127.844 128.170 -0.326 1
1 861 . 21 1 1 A 69 69 PHE H H 69 9.068 8.800 0.268 1
1 862 . 21 1 1 A 69 69 PHE HA H 69 3.130 3.997 -0.867 1
1 869 . 21 1 1 A 69 69 PHE C C 69 176.827 177.516 -0.689 1
1 870 . 21 1 1 A 69 69 PHE CA C 69 62.478 62.089 0.389 1
1 871 . 21 1 1 A 69 69 PHE CB C 69 38.096 39.604 -1.508 1
1 872 . 21 1 1 A 69 69 PHE N N 69 118.955 127.793 -8.838 1
1 873 . 21 1 1 A 70 70 LYS H H 70 8.123 8.597 -0.474 1
1 874 . 21 1 1 A 70 70 LYS HA H 70 3.871 4.318 -0.447 1
1 883 . 21 1 1 A 70 70 LYS C C 70 179.527 178.692 0.835 1
1 884 . 21 1 1 A 70 70 LYS CA C 70 59.457 58.462 0.995 1
1 885 . 21 1 1 A 70 70 LYS CB C 70 30.772 32.054 -1.282 1
1 889 . 21 1 1 A 70 70 LYS N N 70 120.287 117.889 2.398 1
1 890 . 21 1 1 A 71 71 GLU H H 71 8.746 8.391 0.355 1
1 891 . 21 1 1 A 71 71 GLU HA H 71 4.099 4.102 -0.003 1
1 896 . 21 1 1 A 71 71 GLU C C 71 179.127 178.742 0.385 1
1 897 . 21 1 1 A 71 71 GLU CA C 71 57.934 59.011 -1.077 1
1 898 . 21 1 1 A 71 71 GLU CB C 71 29.266 29.937 -0.671 1
1 900 . 21 1 1 A 71 71 GLU N N 71 122.207 119.353 2.854 1
1 901 . 21 1 1 A 72 72 TYR H H 72 8.879 8.341 0.538 1
1 902 . 21 1 1 A 72 72 TYR HA H 72 4.010 4.113 -0.103 1
1 909 . 21 1 1 A 72 72 TYR C C 72 175.927 177.771 -1.844 1
1 910 . 21 1 1 A 72 72 TYR CA C 72 58.551 61.737 -3.186 1
1 911 . 21 1 1 A 72 72 TYR CB C 72 38.072 38.817 -0.745 1
1 912 . 21 1 1 A 72 72 TYR N N 72 121.813 121.875 -0.062 1
1 913 . 21 1 1 A 73 73 SER H H 73 8.414 8.171 0.243 1
1 914 . 21 1 1 A 73 73 SER HA H 73 3.462 4.013 -0.551 1
1 917 . 21 1 1 A 73 73 SER C C 73 175.127 176.363 -1.236 1
1 918 . 21 1 1 A 73 73 SER CA C 73 61.876 61.907 -0.031 1
1 919 . 21 1 1 A 73 73 SER CB C 73 61.327 63.020 -1.693 1
1 920 . 21 1 1 A 73 73 SER N N 73 117.840 116.145 1.695 1
1 921 . 21 1 1 A 74 74 VAL H H 74 7.363 8.006 -0.643 1
1 922 . 21 1 1 A 74 74 VAL HA H 74 3.584 3.885 -0.301 1
1 930 . 21 1 1 A 74 74 VAL C C 74 178.027 178.198 -0.171 1
1 931 . 21 1 1 A 74 74 VAL CA C 74 65.397 65.816 -0.419 1
1 932 . 21 1 1 A 74 74 VAL CB C 74 30.300 31.314 -1.014 1
1 935 . 21 1 1 A 74 74 VAL N N 74 123.439 118.934 4.505 1
1 936 . 21 1 1 A 75 75 PHE H H 75 7.282 8.063 -0.781 1
1 937 . 21 1 1 A 75 75 PHE HA H 75 4.562 4.052 0.510 1
1 945 . 21 1 1 A 75 75 PHE C C 75 176.127 176.938 -0.811 1
1 946 . 21 1 1 A 75 75 PHE CA C 75 57.851 61.068 -3.217 1
1 947 . 21 1 1 A 75 75 PHE CB C 75 36.863 39.050 -2.187 1
1 948 . 21 1 1 A 75 75 PHE N N 75 122.766 124.201 -1.435 1
1 949 . 21 1 1 A 76 76 LEU H H 76 7.823 7.810 0.013 1
1 950 . 21 1 1 A 76 76 LEU HA H 76 3.445 3.614 -0.169 1
1 960 . 21 1 1 A 76 76 LEU C C 76 178.927 179.241 -0.314 1
1 961 . 21 1 1 A 76 76 LEU CA C 76 56.891 57.231 -0.340 1
1 962 . 21 1 1 A 76 76 LEU CB C 76 39.917 41.317 -1.400 1
1 966 . 21 1 1 A 76 76 LEU N N 76 115.619 118.483 -2.864 1
1 967 . 21 1 1 A 77 77 THR H H 77 7.858 8.124 -0.266 1
1 968 . 21 1 1 A 77 77 THR HA H 77 3.665 3.822 -0.157 1
1 974 . 21 1 1 A 77 77 THR C C 77 175.427 176.799 -1.372 1
1 975 . 21 1 1 A 77 77 THR CA C 77 66.127 66.672 -0.545 1
1 976 . 21 1 1 A 77 77 THR CB C 77 67.585 68.177 -0.592 1
1 978 . 21 1 1 A 77 77 THR N N 77 113.417 114.470 -1.053 1
1 979 . 21 1 1 A 78 78 MET H H 78 7.970 8.313 -0.343 1
1 980 . 21 1 1 A 78 78 MET HA H 78 3.935 3.987 -0.052 1
1 988 . 21 1 1 A 78 78 MET C C 78 179.127 178.867 0.260 1
1 989 . 21 1 1 A 78 78 MET CA C 78 58.780 58.822 -0.042 1
1 990 . 21 1 1 A 78 78 MET CB C 78 31.501 32.578 -1.077 1
1 993 . 21 1 1 A 78 78 MET N N 78 122.745 118.491 4.254 1
1 994 . 21 1 1 A 79 79 LEU H H 79 7.898 8.017 -0.119 1
1 995 . 21 1 1 A 79 79 LEU HA H 79 3.870 4.004 -0.134 1
1 1005 . 21 1 1 A 79 79 LEU C C 79 178.427 179.259 -0.832 1
1 1006 . 21 1 1 A 79 79 LEU CA C 79 56.843 57.798 -0.955 1
1 1007 . 21 1 1 A 79 79 LEU CB C 79 41.099 40.653 0.446 1
1 1011 . 21 1 1 A 79 79 LEU N N 79 120.989 119.642 1.347 1
1 1012 . 21 1 1 A 80 80 CYS H H 80 8.400 8.265 0.135 1
1 1013 . 21 1 1 A 80 80 CYS HA H 80 3.830 4.161 -0.331 1
1 1017 . 21 1 1 A 80 80 CYS C C 80 175.927 177.274 -1.347 1
1 1018 . 21 1 1 A 80 80 CYS CA C 80 64.044 62.736 1.308 1
1 1019 . 21 1 1 A 80 80 CYS CB C 80 25.626 27.270 -1.644 1
1 1020 . 21 1 1 A 80 80 CYS N N 80 117.746 118.990 -1.244 1
1 1021 . 21 1 1 A 81 81 MET H H 81 8.295 8.347 -0.052 1
1 1022 . 21 1 1 A 81 81 MET HA H 81 4.023 4.160 -0.137 1
1 1030 . 21 1 1 A 81 81 MET C C 81 177.327 178.075 -0.748 1
1 1031 . 21 1 1 A 81 81 MET CA C 81 57.601 59.118 -1.517 1
1 1032 . 21 1 1 A 81 81 MET CB C 81 30.668 33.236 -2.568 1
1 1035 . 21 1 1 A 81 81 MET N N 81 117.598 119.030 -1.432 1
1 1036 . 21 1 1 A 82 82 ALA H H 82 7.624 8.128 -0.504 1
1 1037 . 21 1 1 A 82 82 ALA HA H 82 4.061 4.065 -0.004 1
1 1041 . 21 1 1 A 82 82 ALA C C 82 179.627 179.733 -0.106 1
1 1042 . 21 1 1 A 82 82 ALA CA C 82 53.856 55.508 -1.652 1
1 1043 . 21 1 1 A 82 82 ALA CB C 82 16.794 18.609 -1.815 1
1 1044 . 21 1 1 A 82 82 ALA N N 82 121.886 121.357 0.529 1
1 1045 . 21 1 1 A 83 83 TYR H H 83 8.476 8.172 0.304 1
1 1046 . 21 1 1 A 83 83 TYR HA H 83 4.147 4.449 -0.302 1
1 1053 . 21 1 1 A 83 83 TYR C C 83 178.127 178.529 -0.402 1
1 1054 . 21 1 1 A 83 83 TYR CA C 83 60.066 61.353 -1.287 1
1 1055 . 21 1 1 A 83 83 TYR CB C 83 36.546 37.500 -0.954 1
1 1056 . 21 1 1 A 83 83 TYR N N 83 119.136 116.429 2.707 1
1 1057 . 21 1 1 A 84 84 ASN H H 84 8.386 8.229 0.157 1
1 1058 . 21 1 1 A 84 84 ASN HA H 84 4.221 4.481 -0.260 1
1 1063 . 21 1 1 A 84 84 ASN C C 84 175.427 177.231 -1.804 1
1 1064 . 21 1 1 A 84 84 ASN CA C 84 56.123 56.872 -0.749 1
1 1065 . 21 1 1 A 84 84 ASN CB C 84 37.387 38.625 -1.238 1
1 1066 . 21 1 1 A 84 84 ASN N N 84 120.692 119.410 1.282 1
1 1068 . 21 1 1 A 85 85 ASP H H 85 7.611 7.676 -0.065 1
1 1069 . 21 1 1 A 85 85 ASP HA H 85 4.234 4.455 -0.221 1
1 1072 . 21 1 1 A 85 85 ASP C C 85 178.227 178.544 -0.317 1
1 1073 . 21 1 1 A 85 85 ASP CA C 85 56.752 57.282 -0.530 1
1 1074 . 21 1 1 A 85 85 ASP CB C 85 38.688 40.658 -1.970 1
1 1075 . 21 1 1 A 85 85 ASP N N 85 118.378 119.522 -1.144 1
1 1076 . 21 1 1 A 86 86 PHE H H 86 7.538 8.087 -0.549 1
1 1077 . 21 1 1 A 86 86 PHE HA H 86 4.291 4.285 0.006 1
1 1084 . 21 1 1 A 86 86 PHE C C 86 176.627 177.786 -1.159 1
1 1085 . 21 1 1 A 86 86 PHE CA C 86 58.743 61.520 -2.777 1
1 1086 . 21 1 1 A 86 86 PHE CB C 86 37.488 39.048 -1.560 1
1 1087 . 21 1 1 A 86 86 PHE N N 86 118.712 120.720 -2.008 1
1 1088 . 21 1 1 A 87 87 PHE H H 87 8.132 8.340 -0.208 1
1 1089 . 21 1 1 A 87 87 PHE HA H 87 3.906 4.277 -0.371 1
1 1096 . 21 1 1 A 87 87 PHE C C 87 176.627 176.915 -0.288 1
1 1097 . 21 1 1 A 87 87 PHE CA C 87 59.554 61.569 -2.015 1
1 1098 . 21 1 1 A 87 87 PHE CB C 87 38.017 39.608 -1.591 1
1 1099 . 21 1 1 A 87 87 PHE N N 87 121.649 119.814 1.835 1
1 1100 . 21 1 1 A 88 88 LEU H H 88 7.953 7.741 0.212 1
1 1101 . 21 1 1 A 88 88 LEU HA H 88 3.775 4.244 -0.469 1
1 1111 . 21 1 1 A 88 88 LEU C C 88 177.627 178.675 -1.048 1
1 1112 . 21 1 1 A 88 88 LEU CA C 88 55.078 56.132 -1.054 1
1 1113 . 21 1 1 A 88 88 LEU CB C 88 41.226 42.091 -0.865 1
1 1117 . 21 1 1 A 88 88 LEU N N 88 118.897 118.756 0.141 1
1 1118 . 21 1 1 A 89 89 GLU H H 89 7.475 8.198 -0.723 1
1 1119 . 21 1 1 A 89 89 GLU HA H 89 3.914 4.167 -0.253 1
1 1124 . 21 1 1 A 89 89 GLU C C 89 176.127 178.553 -2.426 1
1 1125 . 21 1 1 A 89 89 GLU CA C 89 56.926 58.899 -1.973 1
1 1126 . 21 1 1 A 89 89 GLU CB C 89 28.567 30.294 -1.727 1
1 1128 . 21 1 1 A 89 89 GLU N N 89 119.332 120.215 -0.883 1
1 1129 . 21 1 1 A 90 90 ASP H H 90 7.750 8.267 -0.517 1
1 1130 . 21 1 1 A 90 90 ASP HA H 90 4.370 4.421 -0.051 1
1 1133 . 21 1 1 A 90 90 ASP C C 90 175.227 177.684 -2.457 1
1 1134 . 21 1 1 A 90 90 ASP CA C 90 53.593 56.573 -2.980 1
1 1135 . 21 1 1 A 90 90 ASP CB C 90 40.323 40.611 -0.288 1
1 1136 . 21 1 1 A 90 90 ASP N N 90 118.945 119.426 -0.481 1
1 1137 . 21 1 1 A 91 91 ASN H H 91 7.681 7.196 0.485 1
1 1138 . 21 1 1 A 91 91 ASN HA H 91 4.495 4.829 -0.334 1
1 1143 . 21 1 1 A 91 91 ASN C C 91 173.027 175.048 -2.021 1
1 1144 . 21 1 1 A 91 91 ASN CA C 91 52.041 52.874 -0.833 1
1 1145 . 21 1 1 A 91 91 ASN CB C 91 38.072 38.614 -0.542 1
1 1146 . 21 1 1 A 91 91 ASN N N 91 118.171 114.024 4.147 1
1 10 . 22 1 1 A 2 2 GLU H H 2 8.776 8.991 -0.215 1
1 11 . 22 1 1 A 2 2 GLU HA H 2 4.535 4.603 -0.068 1
1 16 . 22 1 1 A 2 2 GLU C C 2 175.627 176.619 -0.992 1
1 17 . 22 1 1 A 2 2 GLU CA C 2 55.573 57.627 -2.054 1
1 18 . 22 1 1 A 2 2 GLU CB C 2 30.569 31.791 -1.222 1
1 20 . 22 1 1 A 2 2 GLU N N 2 124.305 123.569 0.736 1
1 21 . 22 1 1 A 3 3 THR H H 3 8.835 7.697 1.138 1
1 22 . 22 1 1 A 3 3 THR HA H 3 4.608 4.878 -0.270 1
1 27 . 22 1 1 A 3 3 THR CA C 3 59.187 58.850 0.337 1
1 28 . 22 1 1 A 3 3 THR CB C 3 67.385 71.316 -3.931 1
1 30 . 22 1 1 A 3 3 THR N N 3 116.176 111.351 4.825 1
1 31 . 22 1 1 A 4 4 PRO HA H 4 4.158 4.434 -0.276 1
1 38 . 22 1 1 A 4 4 PRO C C 4 179.327 178.218 1.109 1
1 39 . 22 1 1 A 4 4 PRO CA C 4 65.040 64.803 0.237 1
1 40 . 22 1 1 A 4 4 PRO CB C 4 30.616 32.006 -1.390 1
1 43 . 22 1 1 A 5 5 LEU H H 5 8.794 7.604 1.190 1
1 44 . 22 1 1 A 5 5 LEU HA H 5 3.944 4.014 -0.070 1
1 54 . 22 1 1 A 5 5 LEU C C 5 177.327 178.666 -1.339 1
1 55 . 22 1 1 A 5 5 LEU CA C 5 56.920 57.574 -0.654 1
1 56 . 22 1 1 A 5 5 LEU CB C 5 41.139 41.798 -0.659 1
1 60 . 22 1 1 A 5 5 LEU N N 5 118.892 118.349 0.543 1
1 61 . 22 1 1 A 6 6 GLU H H 6 7.664 8.402 -0.738 1
1 62 . 22 1 1 A 6 6 GLU HA H 6 3.744 3.900 -0.156 1
1 67 . 22 1 1 A 6 6 GLU C C 6 178.827 179.410 -0.583 1
1 68 . 22 1 1 A 6 6 GLU CA C 6 59.347 59.945 -0.598 1
1 69 . 22 1 1 A 6 6 GLU CB C 6 28.700 29.316 -0.616 1
1 71 . 22 1 1 A 6 6 GLU N N 6 118.741 117.700 1.041 1
1 72 . 22 1 1 A 7 7 LYS H H 7 8.435 7.828 0.607 1
1 73 . 22 1 1 A 7 7 LYS HA H 7 3.909 4.048 -0.139 1
1 82 . 22 1 1 A 7 7 LYS C C 7 178.527 179.276 -0.749 1
1 83 . 22 1 1 A 7 7 LYS CA C 7 58.539 59.216 -0.677 1
1 84 . 22 1 1 A 7 7 LYS CB C 7 31.217 32.210 -0.993 1
1 88 . 22 1 1 A 7 7 LYS N N 7 119.285 118.801 0.484 1
1 89 . 22 1 1 A 8 8 ALA H H 8 8.008 8.302 -0.294 1
1 90 . 22 1 1 A 8 8 ALA HA H 8 4.038 4.048 -0.010 1
1 94 . 22 1 1 A 8 8 ALA C C 8 178.327 180.390 -2.063 1
1 95 . 22 1 1 A 8 8 ALA CA C 8 54.356 55.045 -0.689 1
1 96 . 22 1 1 A 8 8 ALA CB C 8 17.509 18.189 -0.680 1
1 97 . 22 1 1 A 8 8 ALA N N 8 123.866 122.067 1.799 1
1 98 . 22 1 1 A 9 9 LEU H H 9 8.163 8.327 -0.164 1
1 99 . 22 1 1 A 9 9 LEU HA H 9 3.809 4.042 -0.233 1
1 109 . 22 1 1 A 9 9 LEU C C 9 178.527 179.215 -0.688 1
1 110 . 22 1 1 A 9 9 LEU CA C 9 57.256 57.854 -0.598 1
1 111 . 22 1 1 A 9 9 LEU CB C 9 40.483 41.490 -1.007 1
1 115 . 22 1 1 A 9 9 LEU N N 9 119.134 118.302 0.832 1
1 116 . 22 1 1 A 10 10 THR H H 10 8.186 8.179 0.007 1
1 117 . 22 1 1 A 10 10 THR HA H 10 3.741 3.890 -0.149 1
1 122 . 22 1 1 A 10 10 THR C C 10 176.727 176.408 0.319 1
1 123 . 22 1 1 A 10 10 THR CA C 10 66.345 66.729 -0.384 1
1 124 . 22 1 1 A 10 10 THR CB C 10 67.558 68.612 -1.054 1
1 126 . 22 1 1 A 10 10 THR N N 10 114.355 115.952 -1.597 1
1 127 . 22 1 1 A 11 11 THR H H 11 8.387 8.501 -0.114 1
1 128 . 22 1 1 A 11 11 THR HA H 11 3.963 3.908 0.055 1
1 133 . 22 1 1 A 11 11 THR C C 11 176.827 175.879 0.948 1
1 134 . 22 1 1 A 11 11 THR CA C 11 65.801 66.929 -1.128 1
1 135 . 22 1 1 A 11 11 THR CB C 11 67.140 67.906 -0.766 1
1 137 . 22 1 1 A 11 11 THR N N 11 120.801 116.840 3.961 1
1 138 . 22 1 1 A 12 12 MET H H 12 8.299 8.358 -0.059 1
1 139 . 22 1 1 A 12 12 MET HA H 12 3.872 4.137 -0.265 1
1 147 . 22 1 1 A 12 12 MET C C 12 177.827 178.386 -0.559 1
1 148 . 22 1 1 A 12 12 MET CA C 12 59.263 58.916 0.347 1
1 149 . 22 1 1 A 12 12 MET CB C 12 31.845 31.922 -0.077 1
1 152 . 22 1 1 A 12 12 MET N N 12 124.102 120.122 3.980 1
1 153 . 22 1 1 A 13 13 VAL H H 13 7.820 8.089 -0.269 1
1 154 . 22 1 1 A 13 13 VAL HA H 13 3.937 4.030 -0.093 1
1 162 . 22 1 1 A 13 13 VAL C C 13 177.127 177.718 -0.591 1
1 163 . 22 1 1 A 13 13 VAL CA C 13 65.677 65.719 -0.042 1
1 164 . 22 1 1 A 13 13 VAL CB C 13 31.656 31.027 0.629 1
1 167 . 22 1 1 A 13 13 VAL N N 13 119.838 119.157 0.681 1
1 168 . 22 1 1 A 14 14 THR H H 14 9.107 8.119 0.988 1
1 169 . 22 1 1 A 14 14 THR HA H 14 3.654 4.005 -0.351 1
1 174 . 22 1 1 A 14 14 THR C C 14 177.527 176.926 0.601 1
1 175 . 22 1 1 A 14 14 THR CA C 14 65.273 66.417 -1.144 1
1 176 . 22 1 1 A 14 14 THR CB C 14 67.652 68.955 -1.303 1
1 178 . 22 1 1 A 14 14 THR N N 14 112.247 116.207 -3.960 1
1 179 . 22 1 1 A 15 15 THR H H 15 8.189 8.223 -0.034 1
1 180 . 22 1 1 A 15 15 THR HA H 15 3.864 4.116 -0.252 1
1 186 . 22 1 1 A 15 15 THR C C 15 173.627 176.692 -3.065 1
1 187 . 22 1 1 A 15 15 THR CA C 15 66.930 65.018 1.912 1
1 188 . 22 1 1 A 15 15 THR CB C 15 66.539 68.714 -2.175 1
1 190 . 22 1 1 A 15 15 THR N N 15 117.691 113.885 3.806 1
1 191 . 22 1 1 A 16 16 PHE H H 16 6.850 8.650 -1.800 1
1 192 . 22 1 1 A 16 16 PHE HA H 16 3.417 4.212 -0.795 1
1 199 . 22 1 1 A 16 16 PHE C C 16 175.627 177.387 -1.760 1
1 200 . 22 1 1 A 16 16 PHE CA C 16 61.577 61.844 -0.267 1
1 201 . 22 1 1 A 16 16 PHE CB C 16 38.177 39.029 -0.852 1
1 202 . 22 1 1 A 16 16 PHE N N 16 120.169 122.684 -2.515 1
1 203 . 22 1 1 A 17 17 HIS H H 17 6.924 8.262 -1.338 1
1 204 . 22 1 1 A 17 17 HIS HA H 17 4.755 4.518 0.237 1
1 207 . 22 1 1 A 17 17 HIS C C 17 176.227 177.463 -1.236 1
1 208 . 22 1 1 A 17 17 HIS CA C 17 56.810 59.529 -2.719 1
1 209 . 22 1 1 A 17 17 HIS CB C 17 29.597 29.579 0.018 1
1 210 . 22 1 1 A 17 17 HIS N N 17 115.499 117.136 -1.637 1
1 211 . 22 1 1 A 18 18 LYS H H 18 7.888 7.748 0.140 1
1 212 . 22 1 1 A 18 18 LYS HA H 18 3.870 3.865 0.005 1
1 221 . 22 1 1 A 18 18 LYS C C 18 176.927 177.813 -0.886 1
1 222 . 22 1 1 A 18 18 LYS CA C 18 57.897 58.796 -0.899 1
1 223 . 22 1 1 A 18 18 LYS CB C 18 31.582 31.799 -0.217 1
1 227 . 22 1 1 A 18 18 LYS N N 18 121.217 120.620 0.597 1
1 228 . 22 1 1 A 19 19 TYR H H 19 6.928 7.020 -0.092 1
1 229 . 22 1 1 A 19 19 TYR HA H 19 4.163 4.328 -0.165 1
1 234 . 22 1 1 A 19 19 TYR C C 19 175.027 178.334 -3.307 1
1 235 . 22 1 1 A 19 19 TYR CA C 19 59.335 60.184 -0.849 1
1 236 . 22 1 1 A 19 19 TYR CB C 19 39.515 39.451 0.064 1
1 237 . 22 1 1 A 19 19 TYR N N 19 114.488 117.356 -2.868 1
1 238 . 22 1 1 A 20 20 SER H H 20 8.021 8.780 -0.759 1
1 239 . 22 1 1 A 20 20 SER HA H 20 3.105 4.230 -1.125 1
1 242 . 22 1 1 A 20 20 SER C C 20 176.527 176.116 0.411 1
1 243 . 22 1 1 A 20 20 SER CA C 20 60.457 60.847 -0.390 1
1 244 . 22 1 1 A 20 20 SER CB C 20 60.326 61.867 -1.541 1
1 245 . 22 1 1 A 20 20 SER N N 20 112.624 115.828 -3.204 1
1 246 . 22 1 1 A 21 21 GLY H H 21 7.908 8.193 -0.285 1
1 247 . 22 1 1 A 21 21 GLY HA2 H 21 4.197 3.920 0.277 1
1 248 . 22 1 1 A 21 21 GLY HA3 H 21 3.761 3.953 -0.192 1
1 249 . 22 1 1 A 21 21 GLY C C 21 173.027 174.598 -1.571 1
1 250 . 22 1 1 A 21 21 GLY CA C 21 44.357 46.067 -1.710 1
1 251 . 22 1 1 A 21 21 GLY N N 21 112.095 109.435 2.660 1
1 252 . 22 1 1 A 22 22 ARG H H 22 7.470 7.618 -0.148 1
1 253 . 22 1 1 A 22 22 ARG HA H 22 3.956 4.272 -0.316 1
1 260 . 22 1 1 A 22 22 ARG C C 22 176.327 175.941 0.386 1
1 261 . 22 1 1 A 22 22 ARG CA C 22 58.189 56.795 1.394 1
1 262 . 22 1 1 A 22 22 ARG CB C 22 29.483 31.274 -1.791 1
1 265 . 22 1 1 A 22 22 ARG N N 22 122.481 118.360 4.121 1
1 266 . 22 1 1 A 23 23 GLU H H 23 9.412 8.252 1.160 1
1 267 . 22 1 1 A 23 23 GLU HA H 23 4.626 4.627 -0.001 1
1 272 . 22 1 1 A 23 23 GLU C C 23 175.027 176.094 -1.067 1
1 273 . 22 1 1 A 23 23 GLU CA C 23 53.319 55.068 -1.749 1
1 274 . 22 1 1 A 23 23 GLU CB C 23 32.032 32.619 -0.587 1
1 276 . 22 1 1 A 23 23 GLU N N 23 116.123 115.912 0.211 1
1 277 . 22 1 1 A 24 24 GLY H H 24 9.080 8.778 0.302 1
1 278 . 22 1 1 A 24 24 GLY HA2 H 24 3.694 3.871 -0.177 1
1 279 . 22 1 1 A 24 24 GLY HA3 H 24 3.878 3.875 0.003 1
1 280 . 22 1 1 A 24 24 GLY C C 24 172.827 174.363 -1.536 1
1 281 . 22 1 1 A 24 24 GLY CA C 24 44.707 47.059 -2.352 1
1 282 . 22 1 1 A 24 24 GLY N N 24 114.015 112.390 1.625 1
1 283 . 22 1 1 A 25 25 SER H H 25 8.465 8.920 -0.455 1
1 284 . 22 1 1 A 25 25 SER HA H 25 4.312 4.336 -0.024 1
1 287 . 22 1 1 A 25 25 SER C C 25 178.027 175.625 2.402 1
1 288 . 22 1 1 A 25 25 SER CA C 25 57.478 59.393 -1.915 1
1 289 . 22 1 1 A 25 25 SER CB C 25 61.941 62.917 -0.976 1
1 290 . 22 1 1 A 25 25 SER N N 25 117.299 121.693 -4.394 1
1 291 . 22 1 1 A 26 26 LYS H H 26 9.532 8.093 1.439 1
1 292 . 22 1 1 A 26 26 LYS HA H 26 4.660 4.249 0.411 1
1 301 . 22 1 1 A 26 26 LYS C C 26 176.127 178.507 -2.380 1
1 302 . 22 1 1 A 26 26 LYS CA C 26 56.928 58.496 -1.568 1
1 303 . 22 1 1 A 26 26 LYS CB C 26 30.526 31.991 -1.465 1
1 307 . 22 1 1 A 26 26 LYS N N 26 131.209 124.919 6.290 1
1 308 . 22 1 1 A 27 27 LEU H H 27 8.643 7.595 1.048 1
1 309 . 22 1 1 A 27 27 LEU HA H 27 4.583 3.998 0.585 1
1 319 . 22 1 1 A 27 27 LEU C C 27 174.827 176.846 -2.019 1
1 320 . 22 1 1 A 27 27 LEU CA C 27 53.205 56.408 -3.203 1
1 321 . 22 1 1 A 27 27 LEU CB C 27 41.824 43.491 -1.667 1
1 325 . 22 1 1 A 27 27 LEU N N 27 118.729 118.594 0.135 1
1 326 . 22 1 1 A 28 28 THR H H 28 7.037 7.757 -0.720 1
1 327 . 22 1 1 A 28 28 THR HA H 28 5.168 4.721 0.447 1
1 332 . 22 1 1 A 28 28 THR C C 28 172.727 173.430 -0.703 1
1 333 . 22 1 1 A 28 28 THR CA C 28 57.915 59.328 -1.413 1
1 334 . 22 1 1 A 28 28 THR CB C 28 71.934 71.330 0.604 1
1 336 . 22 1 1 A 28 28 THR N N 28 104.663 109.397 -4.734 1
1 337 . 22 1 1 A 29 29 LEU H H 29 9.517 8.850 0.667 1
1 338 . 22 1 1 A 29 29 LEU HA H 29 5.196 4.731 0.465 1
1 348 . 22 1 1 A 29 29 LEU C C 29 175.527 176.131 -0.604 1
1 349 . 22 1 1 A 29 29 LEU CA C 29 51.653 53.669 -2.016 1
1 350 . 22 1 1 A 29 29 LEU CB C 29 42.301 43.008 -0.707 1
1 354 . 22 1 1 A 29 29 LEU N N 29 125.388 122.074 3.314 1
1 355 . 22 1 1 A 30 30 SER H H 30 10.053 8.884 1.169 1
1 356 . 22 1 1 A 30 30 SER HA H 30 4.475 4.493 -0.018 1
1 359 . 22 1 1 A 30 30 SER C C 30 173.427 175.456 -2.029 1
1 360 . 22 1 1 A 30 30 SER CA C 30 55.011 58.272 -3.261 1
1 361 . 22 1 1 A 30 30 SER CB C 30 64.446 64.356 0.090 1
1 362 . 22 1 1 A 30 30 SER N N 30 121.114 120.787 0.327 1
1 363 . 22 1 1 A 31 31 ARG H H 31 8.992 9.347 -0.355 1
1 364 . 22 1 1 A 31 31 ARG HA H 31 3.923 3.889 0.034 1
1 371 . 22 1 1 A 31 31 ARG C C 31 177.027 177.817 -0.790 1
1 372 . 22 1 1 A 31 31 ARG CA C 31 59.408 59.840 -0.432 1
1 373 . 22 1 1 A 31 31 ARG CB C 31 29.041 30.141 -1.100 1
1 376 . 22 1 1 A 31 31 ARG N N 31 120.513 124.017 -3.504 1
1 377 . 22 1 1 A 32 32 LYS H H 32 7.845 7.975 -0.130 1
1 378 . 22 1 1 A 32 32 LYS HA H 32 3.826 4.039 -0.213 1
1 387 . 22 1 1 A 32 32 LYS C C 32 178.927 179.140 -0.213 1
1 388 . 22 1 1 A 32 32 LYS CA C 32 58.677 59.617 -0.940 1
1 389 . 22 1 1 A 32 32 LYS CB C 32 31.964 32.033 -0.069 1
1 393 . 22 1 1 A 32 32 LYS N N 32 117.011 118.813 -1.802 1
1 394 . 22 1 1 A 33 33 GLU H H 33 7.612 7.892 -0.280 1
1 395 . 22 1 1 A 33 33 GLU HA H 33 3.954 4.084 -0.130 1
1 400 . 22 1 1 A 33 33 GLU C C 33 177.227 178.910 -1.683 1
1 401 . 22 1 1 A 33 33 GLU CA C 33 58.289 58.877 -0.588 1
1 402 . 22 1 1 A 33 33 GLU CB C 33 29.757 29.726 0.031 1
1 404 . 22 1 1 A 33 33 GLU N N 33 120.815 120.156 0.659 1
1 405 . 22 1 1 A 34 34 LEU H H 34 8.694 8.232 0.462 1
1 406 . 22 1 1 A 34 34 LEU HA H 34 3.811 3.907 -0.096 1
1 416 . 22 1 1 A 34 34 LEU C C 34 176.927 178.156 -1.229 1
1 417 . 22 1 1 A 34 34 LEU CA C 34 57.025 58.118 -1.093 1
1 418 . 22 1 1 A 34 34 LEU CB C 34 40.638 41.666 -1.028 1
1 422 . 22 1 1 A 34 34 LEU N N 34 119.291 121.303 -2.012 1
1 423 . 22 1 1 A 35 35 LYS H H 35 8.114 8.215 -0.101 1
1 424 . 22 1 1 A 35 35 LYS HA H 35 3.569 3.967 -0.398 1
1 433 . 22 1 1 A 35 35 LYS C C 35 177.027 178.598 -1.571 1
1 434 . 22 1 1 A 35 35 LYS CA C 35 59.419 58.762 0.657 1
1 435 . 22 1 1 A 35 35 LYS CB C 35 31.271 31.999 -0.728 1
1 439 . 22 1 1 A 35 35 LYS N N 35 117.277 117.407 -0.130 1
1 440 . 22 1 1 A 36 36 GLU H H 36 7.560 7.399 0.161 1
1 441 . 22 1 1 A 36 36 GLU HA H 36 3.845 4.068 -0.223 1
1 446 . 22 1 1 A 36 36 GLU C C 36 175.827 178.239 -2.412 1
1 447 . 22 1 1 A 36 36 GLU CA C 36 58.190 58.655 -0.465 1
1 448 . 22 1 1 A 36 36 GLU CB C 36 28.253 29.638 -1.385 1
1 450 . 22 1 1 A 36 36 GLU N N 36 119.302 119.614 -0.312 1
1 451 . 22 1 1 A 37 37 LEU H H 37 7.682 8.088 -0.406 1
1 452 . 22 1 1 A 37 37 LEU HA H 37 2.280 2.916 -0.636 1
1 462 . 22 1 1 A 37 37 LEU C C 37 178.327 178.194 0.133 1
1 463 . 22 1 1 A 37 37 LEU CA C 37 58.225 58.103 0.122 1
1 464 . 22 1 1 A 37 37 LEU CB C 37 41.090 41.471 -0.381 1
1 468 . 22 1 1 A 37 37 LEU N N 37 121.690 120.555 1.135 1
1 469 . 22 1 1 A 38 38 ILE H H 38 8.157 7.680 0.477 1
1 470 . 22 1 1 A 38 38 ILE HA H 38 3.292 3.732 -0.440 1
1 480 . 22 1 1 A 38 38 ILE C C 38 177.027 177.800 -0.773 1
1 481 . 22 1 1 A 38 38 ILE CA C 38 65.007 65.604 -0.597 1
1 482 . 22 1 1 A 38 38 ILE CB C 38 37.187 37.910 -0.723 1
1 486 . 22 1 1 A 38 38 ILE N N 38 117.626 120.016 -2.390 1
1 487 . 22 1 1 A 39 39 LYS H H 39 8.068 8.065 0.003 1
1 488 . 22 1 1 A 39 39 LYS HA H 39 3.876 4.175 -0.299 1
1 497 . 22 1 1 A 39 39 LYS C C 39 177.927 177.993 -0.066 1
1 498 . 22 1 1 A 39 39 LYS CA C 39 58.204 59.232 -1.028 1
1 499 . 22 1 1 A 39 39 LYS CB C 39 31.731 32.162 -0.431 1
1 503 . 22 1 1 A 39 39 LYS N N 39 117.909 118.728 -0.819 1
1 504 . 22 1 1 A 40 40 LYS H H 40 8.094 7.604 0.490 1
1 505 . 22 1 1 A 40 40 LYS HA H 40 4.248 4.275 -0.027 1
1 514 . 22 1 1 A 40 40 LYS C C 40 178.227 178.441 -0.214 1
1 515 . 22 1 1 A 40 40 LYS CA C 40 56.291 56.992 -0.701 1
1 516 . 22 1 1 A 40 40 LYS CB C 40 32.652 32.731 -0.079 1
1 520 . 22 1 1 A 40 40 LYS N N 40 114.323 119.059 -4.736 1
1 521 . 22 1 1 A 41 41 GLU H H 41 8.381 8.108 0.273 1
1 522 . 22 1 1 A 41 41 GLU HA H 41 4.744 4.210 0.534 1
1 527 . 22 1 1 A 41 41 GLU C C 41 176.227 176.400 -0.173 1
1 528 . 22 1 1 A 41 41 GLU CA C 41 55.054 58.690 -3.636 1
1 529 . 22 1 1 A 41 41 GLU CB C 41 29.598 30.809 -1.211 1
1 531 . 22 1 1 A 41 41 GLU N N 41 113.079 119.386 -6.307 1
1 532 . 22 1 1 A 42 42 LEU H H 42 7.544 8.571 -1.027 1
1 533 . 22 1 1 A 42 42 LEU HA H 42 4.754 4.464 0.290 1
1 542 . 22 1 1 A 42 42 LEU CA C 42 52.564 54.166 -1.602 1
1 543 . 22 1 1 A 42 42 LEU CB C 42 43.848 42.748 1.100 1
1 546 . 22 1 1 A 42 42 LEU N N 42 118.458 118.901 -0.443 1
1 547 . 22 1 1 A 43 43 CYS H H 43 8.342 9.070 -0.728 1
1 548 . 22 1 1 A 43 43 CYS HA H 43 4.486 4.628 -0.142 1
1 551 . 22 1 1 A 43 43 CYS C C 43 174.327 173.296 1.031 1
1 552 . 22 1 1 A 43 43 CYS CA C 43 57.655 58.499 -0.844 1
1 553 . 22 1 1 A 43 43 CYS CB C 43 25.653 26.188 -0.535 1
1 554 . 22 1 1 A 44 44 LEU H H 44 8.123 7.854 0.269 1
1 555 . 22 1 1 A 44 44 LEU HA H 44 4.339 4.669 -0.330 1
1 565 . 22 1 1 A 44 44 LEU C C 44 176.927 175.765 1.162 1
1 566 . 22 1 1 A 44 44 LEU CA C 44 53.750 53.576 0.174 1
1 567 . 22 1 1 A 44 44 LEU CB C 44 40.784 44.269 -3.485 1
1 571 . 22 1 1 A 44 44 LEU N N 44 121.974 122.948 -0.974 1
1 572 . 22 1 1 A 45 45 GLY H H 45 8.072 8.791 -0.719 1
1 573 . 22 1 1 A 45 45 GLY HA2 H 45 3.889 3.896 -0.007 1
1 574 . 22 1 1 A 45 45 GLY HA3 H 45 3.698 3.958 -0.260 1
1 575 . 22 1 1 A 45 45 GLY C C 45 173.127 174.128 -1.001 1
1 576 . 22 1 1 A 45 45 GLY CA C 45 44.291 46.029 -1.738 1
1 577 . 22 1 1 A 45 45 GLY N N 45 107.819 109.164 -1.345 1
1 578 . 22 1 1 A 46 46 GLU H H 46 8.472 8.521 -0.049 1
1 579 . 22 1 1 A 46 46 GLU HA H 46 4.048 3.979 0.069 1
1 584 . 22 1 1 A 46 46 GLU C C 46 175.727 175.239 0.488 1
1 585 . 22 1 1 A 46 46 GLU CA C 46 56.461 57.279 -0.818 1
1 586 . 22 1 1 A 46 46 GLU CB C 46 28.208 27.755 0.453 1
1 588 . 22 1 1 A 46 46 GLU N N 46 120.563 113.014 7.549 1
1 589 . 22 1 1 A 47 47 MET H H 47 8.189 7.826 0.363 1
1 590 . 22 1 1 A 47 47 MET HA H 47 4.413 4.443 -0.030 1
1 598 . 22 1 1 A 47 47 MET C C 47 175.027 175.146 -0.119 1
1 599 . 22 1 1 A 47 47 MET CA C 47 53.905 54.669 -0.764 1
1 600 . 22 1 1 A 47 47 MET CB C 47 32.611 31.502 1.109 1
1 603 . 22 1 1 A 47 47 MET N N 47 123.201 117.959 5.242 1
1 604 . 22 1 1 A 48 48 LYS H H 48 8.355 8.018 0.337 1
1 605 . 22 1 1 A 48 48 LYS HA H 48 4.237 4.297 -0.060 1
1 614 . 22 1 1 A 48 48 LYS C C 48 177.027 177.582 -0.555 1
1 615 . 22 1 1 A 48 48 LYS CA C 48 55.443 56.283 -0.840 1
1 616 . 22 1 1 A 48 48 LYS CB C 48 32.173 32.676 -0.503 1
1 620 . 22 1 1 A 48 48 LYS N N 48 123.046 126.506 -3.460 1
1 621 . 22 1 1 A 49 49 GLU H H 49 8.742 8.802 -0.060 1
1 622 . 22 1 1 A 49 49 GLU HA H 49 3.884 4.170 -0.286 1
1 627 . 22 1 1 A 49 49 GLU C C 49 177.727 178.767 -1.040 1
1 628 . 22 1 1 A 49 49 GLU CA C 49 58.534 58.827 -0.293 1
1 629 . 22 1 1 A 49 49 GLU CB C 49 27.870 29.319 -1.449 1
1 631 . 22 1 1 A 49 49 GLU N N 49 122.407 123.850 -1.443 1
1 632 . 22 1 1 A 50 50 SER H H 50 8.324 8.077 0.247 1
1 633 . 22 1 1 A 50 50 SER HA H 50 4.188 4.194 -0.006 1
1 636 . 22 1 1 A 50 50 SER C C 50 175.427 175.930 -0.503 1
1 637 . 22 1 1 A 50 50 SER CA C 50 59.402 61.315 -1.913 1
1 638 . 22 1 1 A 50 50 SER CB C 50 61.442 63.288 -1.846 1
1 639 . 22 1 1 A 50 50 SER N N 50 112.475 115.736 -3.261 1
1 640 . 22 1 1 A 51 51 SER H H 51 7.400 8.249 -0.849 1
1 641 . 22 1 1 A 51 51 SER HA H 51 3.926 4.434 -0.508 1
1 644 . 22 1 1 A 51 51 SER C C 51 176.027 175.405 0.622 1
1 645 . 22 1 1 A 51 51 SER CA C 51 59.762 59.767 -0.005 1
1 646 . 22 1 1 A 51 51 SER CB C 51 60.955 63.655 -2.700 1
1 647 . 22 1 1 A 51 51 SER N N 51 118.432 114.328 4.104 1
1 648 . 22 1 1 A 52 52 ILE H H 52 7.790 7.819 -0.029 1
1 649 . 22 1 1 A 52 52 ILE HA H 52 3.642 3.860 -0.218 1
1 659 . 22 1 1 A 52 52 ILE C C 52 176.427 177.571 -1.144 1
1 660 . 22 1 1 A 52 52 ILE CA C 52 61.984 64.257 -2.273 1
1 661 . 22 1 1 A 52 52 ILE CB C 52 34.990 37.708 -2.718 1
1 665 . 22 1 1 A 52 52 ILE N N 52 123.838 121.703 2.135 1
1 666 . 22 1 1 A 53 53 ASP H H 53 8.092 7.878 0.214 1
1 667 . 22 1 1 A 53 53 ASP HA H 53 4.225 4.288 -0.063 1
1 670 . 22 1 1 A 53 53 ASP C C 53 178.227 178.177 0.050 1
1 671 . 22 1 1 A 53 53 ASP CA C 53 56.606 57.567 -0.961 1
1 672 . 22 1 1 A 53 53 ASP CB C 53 39.034 41.231 -2.197 1
1 673 . 22 1 1 A 53 53 ASP N N 53 121.313 121.816 -0.503 1
1 674 . 22 1 1 A 54 54 ASP H H 54 7.811 8.143 -0.332 1
1 675 . 22 1 1 A 54 54 ASP HA H 54 4.253 4.383 -0.130 1
1 678 . 22 1 1 A 54 54 ASP C C 54 177.927 178.341 -0.414 1
1 679 . 22 1 1 A 54 54 ASP CA C 54 56.467 56.769 -0.302 1
1 680 . 22 1 1 A 54 54 ASP CB C 54 39.401 40.885 -1.484 1
1 681 . 22 1 1 A 54 54 ASP N N 54 120.122 119.711 0.411 1
1 682 . 22 1 1 A 55 55 LEU H H 55 7.789 8.097 -0.308 1
1 683 . 22 1 1 A 55 55 LEU HA H 55 3.979 4.089 -0.110 1
1 693 . 22 1 1 A 55 55 LEU C C 55 178.027 178.515 -0.488 1
1 694 . 22 1 1 A 55 55 LEU CA C 55 56.713 58.156 -1.443 1
1 695 . 22 1 1 A 55 55 LEU CB C 55 40.799 41.541 -0.742 1
1 699 . 22 1 1 A 55 55 LEU N N 55 122.944 121.244 1.700 1
1 700 . 22 1 1 A 56 56 MET H H 56 8.601 8.602 -0.001 1
1 701 . 22 1 1 A 56 56 MET HA H 56 3.827 4.011 -0.184 1
1 709 . 22 1 1 A 56 56 MET C C 56 177.027 178.394 -1.367 1
1 710 . 22 1 1 A 56 56 MET CA C 56 57.116 58.695 -1.579 1
1 711 . 22 1 1 A 56 56 MET CB C 56 29.825 32.045 -2.220 1
1 714 . 22 1 1 A 56 56 MET N N 56 117.863 119.234 -1.371 1
1 715 . 22 1 1 A 57 57 LYS H H 57 7.693 8.006 -0.313 1
1 716 . 22 1 1 A 57 57 LYS HA H 57 3.954 4.192 -0.238 1
1 725 . 22 1 1 A 57 57 LYS C C 57 178.127 179.312 -1.185 1
1 726 . 22 1 1 A 57 57 LYS CA C 57 58.352 58.882 -0.530 1
1 727 . 22 1 1 A 57 57 LYS CB C 57 31.315 31.927 -0.612 1
1 731 . 22 1 1 A 57 57 LYS N N 57 116.455 119.344 -2.889 1
1 732 . 22 1 1 A 58 58 SER H H 58 7.661 7.838 -0.177 1
1 733 . 22 1 1 A 58 58 SER HA H 58 4.115 4.264 -0.149 1
1 736 . 22 1 1 A 58 58 SER C C 58 174.827 177.216 -2.389 1
1 737 . 22 1 1 A 58 58 SER CA C 58 59.986 61.017 -1.031 1
1 738 . 22 1 1 A 58 58 SER CB C 58 62.464 63.106 -0.642 1
1 739 . 22 1 1 A 58 58 SER N N 58 113.020 115.331 -2.311 1
1 740 . 22 1 1 A 59 59 LEU H H 59 7.917 7.886 0.031 1
1 741 . 22 1 1 A 59 59 LEU HA H 59 4.269 3.939 0.330 1
1 751 . 22 1 1 A 59 59 LEU C C 59 177.627 177.982 -0.355 1
1 752 . 22 1 1 A 59 59 LEU CA C 59 54.402 58.152 -3.750 1
1 753 . 22 1 1 A 59 59 LEU CB C 59 43.731 41.734 1.997 1
1 757 . 22 1 1 A 59 59 LEU N N 59 117.463 120.959 -3.496 1
1 758 . 22 1 1 A 60 60 ASP H H 60 8.025 8.402 -0.377 1
1 759 . 22 1 1 A 60 60 ASP HA H 60 4.566 4.917 -0.351 1
1 762 . 22 1 1 A 60 60 ASP C C 60 176.627 176.893 -0.266 1
1 763 . 22 1 1 A 60 60 ASP CA C 60 52.335 52.711 -0.376 1
1 764 . 22 1 1 A 60 60 ASP CB C 60 38.139 39.060 -0.921 1
1 765 . 22 1 1 A 60 60 ASP N N 60 117.588 117.348 0.240 1
1 766 . 22 1 1 A 61 61 LYS H H 61 8.100 8.016 0.084 1
1 767 . 22 1 1 A 61 61 LYS HA H 61 4.035 4.084 -0.049 1
1 776 . 22 1 1 A 61 61 LYS C C 61 176.727 177.630 -0.903 1
1 777 . 22 1 1 A 61 61 LYS CA C 61 56.887 58.970 -2.083 1
1 778 . 22 1 1 A 61 61 LYS CB C 61 31.653 32.128 -0.475 1
1 782 . 22 1 1 A 61 61 LYS N N 61 126.943 125.174 1.769 1
1 783 . 22 1 1 A 62 62 ASN H H 62 7.864 7.932 -0.068 1
1 784 . 22 1 1 A 62 62 ASN HA H 62 4.759 4.704 0.055 1
1 789 . 22 1 1 A 62 62 ASN C C 62 173.727 175.790 -2.063 1
1 790 . 22 1 1 A 62 62 ASN CA C 62 50.660 51.879 -1.219 1
1 791 . 22 1 1 A 62 62 ASN CB C 62 35.920 37.985 -2.065 1
1 792 . 22 1 1 A 62 62 ASN N N 62 113.588 113.860 -0.272 1
1 794 . 22 1 1 A 63 63 SER H H 63 7.613 8.358 -0.745 1
1 795 . 22 1 1 A 63 63 SER HA H 63 3.962 4.240 -0.278 1
1 798 . 22 1 1 A 63 63 SER C C 63 172.927 174.828 -1.901 1
1 799 . 22 1 1 A 63 63 SER CA C 63 58.262 59.252 -0.990 1
1 800 . 22 1 1 A 63 63 SER CB C 63 60.708 62.565 -1.857 1
1 801 . 22 1 1 A 63 63 SER N N 63 111.592 114.611 -3.019 1
1 802 . 22 1 1 A 64 64 ASP H H 64 8.217 8.286 -0.069 1
1 803 . 22 1 1 A 64 64 ASP HA H 64 4.653 4.520 0.133 1
1 806 . 22 1 1 A 64 64 ASP C C 64 175.927 176.980 -1.053 1
1 807 . 22 1 1 A 64 64 ASP CA C 64 51.641 53.199 -1.558 1
1 808 . 22 1 1 A 64 64 ASP CB C 64 39.385 40.481 -1.096 1
1 809 . 22 1 1 A 64 64 ASP N N 64 118.913 120.594 -1.681 1
1 810 . 22 1 1 A 65 65 GLN H H 65 10.239 8.368 1.871 1
1 811 . 22 1 1 A 65 65 GLN HA H 65 3.356 3.944 -0.588 1
1 818 . 22 1 1 A 65 65 GLN C C 65 172.627 174.300 -1.673 1
1 819 . 22 1 1 A 65 65 GLN CA C 65 56.325 57.420 -1.095 1
1 820 . 22 1 1 A 65 65 GLN CB C 65 24.910 28.198 -3.288 1
1 822 . 22 1 1 A 65 65 GLN N N 65 114.908 117.508 -2.600 1
1 824 . 22 1 1 A 66 66 GLU H H 66 7.710 8.124 -0.414 1
1 825 . 22 1 1 A 66 66 GLU HA H 66 4.691 4.762 -0.071 1
1 830 . 22 1 1 A 66 66 GLU C C 66 174.127 175.215 -1.088 1
1 831 . 22 1 1 A 66 66 GLU CA C 66 52.987 54.958 -1.971 1
1 832 . 22 1 1 A 66 66 GLU CB C 66 32.433 31.863 0.570 1
1 834 . 22 1 1 A 66 66 GLU N N 66 115.721 119.949 -4.228 1
1 835 . 22 1 1 A 67 67 ILE H H 67 9.938 8.871 1.067 1
1 836 . 22 1 1 A 67 67 ILE HA H 67 5.291 4.728 0.563 1
1 846 . 22 1 1 A 67 67 ILE C C 67 175.627 174.906 0.721 1
1 847 . 22 1 1 A 67 67 ILE CA C 67 56.241 60.393 -4.152 1
1 848 . 22 1 1 A 67 67 ILE CB C 67 35.492 39.461 -3.969 1
1 852 . 22 1 1 A 67 67 ILE N N 67 125.901 123.370 2.531 1
1 853 . 22 1 1 A 68 68 ASP H H 68 8.794 8.724 0.070 1
1 854 . 22 1 1 A 68 68 ASP HA H 68 5.002 4.813 0.189 1
1 857 . 22 1 1 A 68 68 ASP C C 68 174.427 177.066 -2.639 1
1 858 . 22 1 1 A 68 68 ASP CA C 68 51.563 54.252 -2.689 1
1 859 . 22 1 1 A 68 68 ASP CB C 68 40.493 42.562 -2.069 1
1 860 . 22 1 1 A 68 68 ASP N N 68 127.844 128.285 -0.441 1
1 861 . 22 1 1 A 69 69 PHE H H 69 9.068 9.252 -0.184 1
1 862 . 22 1 1 A 69 69 PHE HA H 69 3.130 4.219 -1.089 1
1 869 . 22 1 1 A 69 69 PHE C C 69 176.827 177.946 -1.119 1
1 870 . 22 1 1 A 69 69 PHE CA C 69 62.478 61.691 0.787 1
1 871 . 22 1 1 A 69 69 PHE CB C 69 38.096 38.934 -0.838 1
1 872 . 22 1 1 A 69 69 PHE N N 69 118.955 126.684 -7.729 1
1 873 . 22 1 1 A 70 70 LYS H H 70 8.123 8.267 -0.144 1
1 874 . 22 1 1 A 70 70 LYS HA H 70 3.871 4.261 -0.390 1
1 883 . 22 1 1 A 70 70 LYS C C 70 179.527 179.230 0.297 1
1 884 . 22 1 1 A 70 70 LYS CA C 70 59.457 58.787 0.670 1
1 885 . 22 1 1 A 70 70 LYS CB C 70 30.772 32.505 -1.733 1
1 889 . 22 1 1 A 70 70 LYS N N 70 120.287 119.731 0.556 1
1 890 . 22 1 1 A 71 71 GLU H H 71 8.746 8.027 0.719 1
1 891 . 22 1 1 A 71 71 GLU HA H 71 4.099 4.060 0.039 1
1 896 . 22 1 1 A 71 71 GLU C C 71 179.127 178.946 0.181 1
1 897 . 22 1 1 A 71 71 GLU CA C 71 57.934 59.640 -1.706 1
1 898 . 22 1 1 A 71 71 GLU CB C 71 29.266 29.398 -0.132 1
1 900 . 22 1 1 A 71 71 GLU N N 71 122.207 120.670 1.537 1
1 901 . 22 1 1 A 72 72 TYR H H 72 8.879 8.565 0.314 1
1 902 . 22 1 1 A 72 72 TYR HA H 72 4.010 4.177 -0.167 1
1 909 . 22 1 1 A 72 72 TYR C C 72 175.927 177.901 -1.974 1
1 910 . 22 1 1 A 72 72 TYR CA C 72 58.551 61.537 -2.986 1
1 911 . 22 1 1 A 72 72 TYR CB C 72 38.072 38.451 -0.379 1
1 912 . 22 1 1 A 72 72 TYR N N 72 121.813 122.225 -0.412 1
1 913 . 22 1 1 A 73 73 SER H H 73 8.414 8.301 0.113 1
1 914 . 22 1 1 A 73 73 SER HA H 73 3.462 4.269 -0.807 1
1 917 . 22 1 1 A 73 73 SER C C 73 175.127 176.112 -0.985 1
1 918 . 22 1 1 A 73 73 SER CA C 73 61.876 61.830 0.046 1
1 919 . 22 1 1 A 73 73 SER CB C 73 61.327 63.161 -1.834 1
1 920 . 22 1 1 A 73 73 SER N N 73 117.840 115.940 1.900 1
1 921 . 22 1 1 A 74 74 VAL H H 74 7.363 7.522 -0.159 1
1 922 . 22 1 1 A 74 74 VAL HA H 74 3.584 3.790 -0.206 1
1 930 . 22 1 1 A 74 74 VAL C C 74 178.027 177.602 0.425 1
1 931 . 22 1 1 A 74 74 VAL CA C 74 65.397 64.831 0.566 1
1 932 . 22 1 1 A 74 74 VAL CB C 74 30.300 31.425 -1.125 1
1 935 . 22 1 1 A 74 74 VAL N N 74 123.439 120.284 3.155 1
1 936 . 22 1 1 A 75 75 PHE H H 75 7.282 8.411 -1.129 1
1 937 . 22 1 1 A 75 75 PHE HA H 75 4.562 4.122 0.440 1
1 945 . 22 1 1 A 75 75 PHE C C 75 176.127 177.196 -1.069 1
1 946 . 22 1 1 A 75 75 PHE CA C 75 57.851 61.061 -3.210 1
1 947 . 22 1 1 A 75 75 PHE CB C 75 36.863 38.932 -2.069 1
1 948 . 22 1 1 A 75 75 PHE N N 75 122.766 122.825 -0.059 1
1 949 . 22 1 1 A 76 76 LEU H H 76 7.823 8.282 -0.459 1
1 950 . 22 1 1 A 76 76 LEU HA H 76 3.445 3.574 -0.129 1
1 960 . 22 1 1 A 76 76 LEU C C 76 178.927 179.051 -0.124 1
1 961 . 22 1 1 A 76 76 LEU CA C 76 56.891 58.033 -1.142 1
1 962 . 22 1 1 A 76 76 LEU CB C 76 39.917 41.661 -1.744 1
1 966 . 22 1 1 A 76 76 LEU N N 76 115.619 119.224 -3.605 1
1 967 . 22 1 1 A 77 77 THR H H 77 7.858 7.841 0.017 1
1 968 . 22 1 1 A 77 77 THR HA H 77 3.665 3.818 -0.153 1
1 974 . 22 1 1 A 77 77 THR C C 77 175.427 176.724 -1.297 1
1 975 . 22 1 1 A 77 77 THR CA C 77 66.127 66.727 -0.600 1
1 976 . 22 1 1 A 77 77 THR CB C 77 67.585 68.618 -1.033 1
1 978 . 22 1 1 A 77 77 THR N N 77 113.417 115.337 -1.920 1
1 979 . 22 1 1 A 78 78 MET H H 78 7.970 8.650 -0.680 1
1 980 . 22 1 1 A 78 78 MET HA H 78 3.935 4.190 -0.255 1
1 988 . 22 1 1 A 78 78 MET C C 78 179.127 179.051 0.076 1
1 989 . 22 1 1 A 78 78 MET CA C 78 58.780 58.455 0.325 1
1 990 . 22 1 1 A 78 78 MET CB C 78 31.501 32.550 -1.049 1
1 993 . 22 1 1 A 78 78 MET N N 78 122.745 118.863 3.882 1
1 994 . 22 1 1 A 79 79 LEU H H 79 7.898 8.142 -0.244 1
1 995 . 22 1 1 A 79 79 LEU HA H 79 3.870 4.061 -0.191 1
1 1005 . 22 1 1 A 79 79 LEU C C 79 178.427 179.011 -0.584 1
1 1006 . 22 1 1 A 79 79 LEU CA C 79 56.843 57.861 -1.018 1
1 1007 . 22 1 1 A 79 79 LEU CB C 79 41.099 41.310 -0.211 1
1 1011 . 22 1 1 A 79 79 LEU N N 79 120.989 121.300 -0.311 1
1 1012 . 22 1 1 A 80 80 CYS H H 80 8.400 8.378 0.022 1
1 1013 . 22 1 1 A 80 80 CYS HA H 80 3.830 4.108 -0.278 1
1 1017 . 22 1 1 A 80 80 CYS C C 80 175.927 177.436 -1.509 1
1 1018 . 22 1 1 A 80 80 CYS CA C 80 64.044 62.785 1.259 1
1 1019 . 22 1 1 A 80 80 CYS CB C 80 25.626 26.511 -0.885 1
1 1020 . 22 1 1 A 80 80 CYS N N 80 117.746 118.152 -0.406 1
1 1021 . 22 1 1 A 81 81 MET H H 81 8.295 8.337 -0.042 1
1 1022 . 22 1 1 A 81 81 MET HA H 81 4.023 4.153 -0.130 1
1 1030 . 22 1 1 A 81 81 MET C C 81 177.327 178.168 -0.841 1
1 1031 . 22 1 1 A 81 81 MET CA C 81 57.601 58.828 -1.227 1
1 1032 . 22 1 1 A 81 81 MET CB C 81 30.668 32.786 -2.118 1
1 1035 . 22 1 1 A 81 81 MET N N 81 117.598 119.850 -2.252 1
1 1036 . 22 1 1 A 82 82 ALA H H 82 7.624 7.902 -0.278 1
1 1037 . 22 1 1 A 82 82 ALA HA H 82 4.061 4.131 -0.070 1
1 1041 . 22 1 1 A 82 82 ALA C C 82 179.627 179.527 0.100 1
1 1042 . 22 1 1 A 82 82 ALA CA C 82 53.856 55.279 -1.423 1
1 1043 . 22 1 1 A 82 82 ALA CB C 82 16.794 18.651 -1.857 1
1 1044 . 22 1 1 A 82 82 ALA N N 82 121.886 121.326 0.560 1
1 1045 . 22 1 1 A 83 83 TYR H H 83 8.476 8.122 0.354 1
1 1046 . 22 1 1 A 83 83 TYR HA H 83 4.147 4.388 -0.241 1
1 1053 . 22 1 1 A 83 83 TYR C C 83 178.127 178.529 -0.402 1
1 1054 . 22 1 1 A 83 83 TYR CA C 83 60.066 61.804 -1.738 1
1 1055 . 22 1 1 A 83 83 TYR CB C 83 36.546 37.543 -0.997 1
1 1056 . 22 1 1 A 83 83 TYR N N 83 119.136 116.516 2.620 1
1 1057 . 22 1 1 A 84 84 ASN H H 84 8.386 8.244 0.142 1
1 1058 . 22 1 1 A 84 84 ASN HA H 84 4.221 4.447 -0.226 1
1 1063 . 22 1 1 A 84 84 ASN C C 84 175.427 177.307 -1.880 1
1 1064 . 22 1 1 A 84 84 ASN CA C 84 56.123 56.873 -0.750 1
1 1065 . 22 1 1 A 84 84 ASN CB C 84 37.387 38.867 -1.480 1
1 1066 . 22 1 1 A 84 84 ASN N N 84 120.692 119.551 1.141 1
1 1068 . 22 1 1 A 85 85 ASP H H 85 7.611 7.650 -0.039 1
1 1069 . 22 1 1 A 85 85 ASP HA H 85 4.234 4.441 -0.207 1
1 1072 . 22 1 1 A 85 85 ASP C C 85 178.227 178.440 -0.213 1
1 1073 . 22 1 1 A 85 85 ASP CA C 85 56.752 57.197 -0.445 1
1 1074 . 22 1 1 A 85 85 ASP CB C 85 38.688 41.090 -2.402 1
1 1075 . 22 1 1 A 85 85 ASP N N 85 118.378 119.418 -1.040 1
1 1076 . 22 1 1 A 86 86 PHE H H 86 7.538 8.112 -0.574 1
1 1077 . 22 1 1 A 86 86 PHE HA H 86 4.291 4.103 0.188 1
1 1084 . 22 1 1 A 86 86 PHE C C 86 176.627 177.708 -1.081 1
1 1085 . 22 1 1 A 86 86 PHE CA C 86 58.743 61.498 -2.755 1
1 1086 . 22 1 1 A 86 86 PHE CB C 86 37.488 39.098 -1.610 1
1 1087 . 22 1 1 A 86 86 PHE N N 86 118.712 120.283 -1.571 1
1 1088 . 22 1 1 A 87 87 PHE H H 87 8.132 8.234 -0.102 1
1 1089 . 22 1 1 A 87 87 PHE HA H 87 3.906 4.113 -0.207 1
1 1096 . 22 1 1 A 87 87 PHE C C 87 176.627 177.052 -0.425 1
1 1097 . 22 1 1 A 87 87 PHE CA C 87 59.554 61.291 -1.737 1
1 1098 . 22 1 1 A 87 87 PHE CB C 87 38.017 39.559 -1.542 1
1 1099 . 22 1 1 A 87 87 PHE N N 87 121.649 120.141 1.508 1
1 1100 . 22 1 1 A 88 88 LEU H H 88 7.953 7.743 0.210 1
1 1101 . 22 1 1 A 88 88 LEU HA H 88 3.775 4.235 -0.460 1
1 1111 . 22 1 1 A 88 88 LEU C C 88 177.627 178.283 -0.656 1
1 1112 . 22 1 1 A 88 88 LEU CA C 88 55.078 56.656 -1.578 1
1 1113 . 22 1 1 A 88 88 LEU CB C 88 41.226 42.024 -0.798 1
1 1117 . 22 1 1 A 88 88 LEU N N 88 118.897 118.841 0.056 1
1 1118 . 22 1 1 A 89 89 GLU H H 89 7.475 7.848 -0.373 1
1 1119 . 22 1 1 A 89 89 GLU HA H 89 3.914 4.170 -0.256 1
1 1124 . 22 1 1 A 89 89 GLU C C 89 176.127 177.955 -1.828 1
1 1125 . 22 1 1 A 89 89 GLU CA C 89 56.926 57.866 -0.940 1
1 1126 . 22 1 1 A 89 89 GLU CB C 89 28.567 29.797 -1.230 1
1 1128 . 22 1 1 A 89 89 GLU N N 89 119.332 119.742 -0.410 1
1 1129 . 22 1 1 A 90 90 ASP H H 90 7.750 7.666 0.084 1
1 1130 . 22 1 1 A 90 90 ASP HA H 90 4.370 4.447 -0.077 1
1 1133 . 22 1 1 A 90 90 ASP C C 90 175.227 177.254 -2.027 1
1 1134 . 22 1 1 A 90 90 ASP CA C 90 53.593 56.766 -3.173 1
1 1135 . 22 1 1 A 90 90 ASP CB C 90 40.323 41.088 -0.765 1
1 1136 . 22 1 1 A 90 90 ASP N N 90 118.945 120.518 -1.573 1
1 1137 . 22 1 1 A 91 91 ASN H H 91 7.681 7.373 0.308 1
1 1138 . 22 1 1 A 91 91 ASN HA H 91 4.495 4.884 -0.389 1
1 1143 . 22 1 1 A 91 91 ASN C C 91 173.027 174.465 -1.438 1
1 1144 . 22 1 1 A 91 91 ASN CA C 91 52.041 52.539 -0.498 1
1 1145 . 22 1 1 A 91 91 ASN CB C 91 38.072 36.880 1.192 1
1 1146 . 22 1 1 A 91 91 ASN N N 91 118.171 116.165 2.006 1
1 10 . 23 1 1 A 2 2 GLU H H 2 8.776 8.888 -0.112 1
1 11 . 23 1 1 A 2 2 GLU HA H 2 4.535 4.870 -0.335 1
1 16 . 23 1 1 A 2 2 GLU C C 2 175.627 176.331 -0.704 1
1 17 . 23 1 1 A 2 2 GLU CA C 2 55.573 54.458 1.115 1
1 18 . 23 1 1 A 2 2 GLU CB C 2 30.569 32.932 -2.363 1
1 20 . 23 1 1 A 2 2 GLU N N 2 124.305 122.624 1.681 1
1 21 . 23 1 1 A 3 3 THR H H 3 8.835 8.706 0.129 1
1 22 . 23 1 1 A 3 3 THR HA H 3 4.608 4.459 0.149 1
1 27 . 23 1 1 A 3 3 THR CA C 3 59.187 60.699 -1.512 1
1 28 . 23 1 1 A 3 3 THR CB C 3 67.385 68.849 -1.464 1
1 30 . 23 1 1 A 3 3 THR N N 3 116.176 115.639 0.537 1
1 31 . 23 1 1 A 4 4 PRO HA H 4 4.158 4.411 -0.253 1
1 38 . 23 1 1 A 4 4 PRO C C 4 179.327 177.888 1.439 1
1 39 . 23 1 1 A 4 4 PRO CA C 4 65.040 65.292 -0.252 1
1 40 . 23 1 1 A 4 4 PRO CB C 4 30.616 31.899 -1.283 1
1 43 . 23 1 1 A 5 5 LEU H H 5 8.794 7.718 1.076 1
1 44 . 23 1 1 A 5 5 LEU HA H 5 3.944 4.031 -0.087 1
1 54 . 23 1 1 A 5 5 LEU C C 5 177.327 178.511 -1.184 1
1 55 . 23 1 1 A 5 5 LEU CA C 5 56.920 57.445 -0.525 1
1 56 . 23 1 1 A 5 5 LEU CB C 5 41.139 41.654 -0.515 1
1 60 . 23 1 1 A 5 5 LEU N N 5 118.892 117.908 0.984 1
1 61 . 23 1 1 A 6 6 GLU H H 6 7.664 8.142 -0.478 1
1 62 . 23 1 1 A 6 6 GLU HA H 6 3.744 4.003 -0.259 1
1 67 . 23 1 1 A 6 6 GLU C C 6 178.827 179.618 -0.791 1
1 68 . 23 1 1 A 6 6 GLU CA C 6 59.347 59.632 -0.285 1
1 69 . 23 1 1 A 6 6 GLU CB C 6 28.700 29.127 -0.427 1
1 71 . 23 1 1 A 6 6 GLU N N 6 118.741 118.660 0.081 1
1 72 . 23 1 1 A 7 7 LYS H H 7 8.435 8.084 0.351 1
1 73 . 23 1 1 A 7 7 LYS HA H 7 3.909 4.030 -0.121 1
1 82 . 23 1 1 A 7 7 LYS C C 7 178.527 179.061 -0.534 1
1 83 . 23 1 1 A 7 7 LYS CA C 7 58.539 59.303 -0.764 1
1 84 . 23 1 1 A 7 7 LYS CB C 7 31.217 32.214 -0.997 1
1 88 . 23 1 1 A 7 7 LYS N N 7 119.285 119.461 -0.176 1
1 89 . 23 1 1 A 8 8 ALA H H 8 8.008 8.308 -0.300 1
1 90 . 23 1 1 A 8 8 ALA HA H 8 4.038 4.073 -0.035 1
1 94 . 23 1 1 A 8 8 ALA C C 8 178.327 180.206 -1.879 1
1 95 . 23 1 1 A 8 8 ALA CA C 8 54.356 54.982 -0.626 1
1 96 . 23 1 1 A 8 8 ALA CB C 8 17.509 18.308 -0.799 1
1 97 . 23 1 1 A 8 8 ALA N N 8 123.866 122.484 1.382 1
1 98 . 23 1 1 A 9 9 LEU H H 9 8.163 8.539 -0.376 1
1 99 . 23 1 1 A 9 9 LEU HA H 9 3.809 4.008 -0.199 1
1 109 . 23 1 1 A 9 9 LEU C C 9 178.527 179.228 -0.701 1
1 110 . 23 1 1 A 9 9 LEU CA C 9 57.256 57.927 -0.671 1
1 111 . 23 1 1 A 9 9 LEU CB C 9 40.483 41.531 -1.048 1
1 115 . 23 1 1 A 9 9 LEU N N 9 119.134 117.785 1.349 1
1 116 . 23 1 1 A 10 10 THR H H 10 8.186 8.346 -0.160 1
1 117 . 23 1 1 A 10 10 THR HA H 10 3.741 3.939 -0.198 1
1 122 . 23 1 1 A 10 10 THR C C 10 176.727 176.426 0.301 1
1 123 . 23 1 1 A 10 10 THR CA C 10 66.345 66.628 -0.283 1
1 124 . 23 1 1 A 10 10 THR CB C 10 67.558 68.651 -1.093 1
1 126 . 23 1 1 A 10 10 THR N N 10 114.355 115.746 -1.391 1
1 127 . 23 1 1 A 11 11 THR H H 11 8.387 8.156 0.231 1
1 128 . 23 1 1 A 11 11 THR HA H 11 3.963 3.910 0.053 1
1 133 . 23 1 1 A 11 11 THR C C 11 176.827 176.365 0.462 1
1 134 . 23 1 1 A 11 11 THR CA C 11 65.801 67.074 -1.273 1
1 135 . 23 1 1 A 11 11 THR CB C 11 67.140 68.592 -1.452 1
1 137 . 23 1 1 A 11 11 THR N N 11 120.801 116.955 3.846 1
1 138 . 23 1 1 A 12 12 MET H H 12 8.299 8.150 0.149 1
1 139 . 23 1 1 A 12 12 MET HA H 12 3.872 4.176 -0.304 1
1 147 . 23 1 1 A 12 12 MET C C 12 177.827 178.712 -0.885 1
1 148 . 23 1 1 A 12 12 MET CA C 12 59.263 58.680 0.583 1
1 149 . 23 1 1 A 12 12 MET CB C 12 31.845 32.165 -0.320 1
1 152 . 23 1 1 A 12 12 MET N N 12 124.102 118.795 5.307 1
1 153 . 23 1 1 A 13 13 VAL H H 13 7.820 8.081 -0.261 1
1 154 . 23 1 1 A 13 13 VAL HA H 13 3.937 3.989 -0.052 1
1 162 . 23 1 1 A 13 13 VAL C C 13 177.127 177.418 -0.291 1
1 163 . 23 1 1 A 13 13 VAL CA C 13 65.677 65.428 0.249 1
1 164 . 23 1 1 A 13 13 VAL CB C 13 31.656 31.445 0.211 1
1 167 . 23 1 1 A 13 13 VAL N N 13 119.838 118.739 1.099 1
1 168 . 23 1 1 A 14 14 THR H H 14 9.107 8.068 1.039 1
1 169 . 23 1 1 A 14 14 THR HA H 14 3.654 4.003 -0.349 1
1 174 . 23 1 1 A 14 14 THR C C 14 177.527 176.584 0.943 1
1 175 . 23 1 1 A 14 14 THR CA C 14 65.273 66.038 -0.765 1
1 176 . 23 1 1 A 14 14 THR CB C 14 67.652 68.408 -0.756 1
1 178 . 23 1 1 A 14 14 THR N N 14 112.247 116.742 -4.495 1
1 179 . 23 1 1 A 15 15 THR H H 15 8.189 8.323 -0.134 1
1 180 . 23 1 1 A 15 15 THR HA H 15 3.864 4.106 -0.242 1
1 186 . 23 1 1 A 15 15 THR C C 15 173.627 176.844 -3.217 1
1 187 . 23 1 1 A 15 15 THR CA C 15 66.930 65.811 1.119 1
1 188 . 23 1 1 A 15 15 THR CB C 15 66.539 68.210 -1.671 1
1 190 . 23 1 1 A 15 15 THR N N 15 117.691 112.818 4.873 1
1 191 . 23 1 1 A 16 16 PHE H H 16 6.850 8.089 -1.239 1
1 192 . 23 1 1 A 16 16 PHE HA H 16 3.417 4.230 -0.813 1
1 199 . 23 1 1 A 16 16 PHE C C 16 175.627 177.670 -2.043 1
1 200 . 23 1 1 A 16 16 PHE CA C 16 61.577 61.450 0.127 1
1 201 . 23 1 1 A 16 16 PHE CB C 16 38.177 39.394 -1.217 1
1 202 . 23 1 1 A 16 16 PHE N N 16 120.169 124.209 -4.040 1
1 203 . 23 1 1 A 17 17 HIS H H 17 6.924 8.570 -1.646 1
1 204 . 23 1 1 A 17 17 HIS HA H 17 4.755 4.505 0.250 1
1 207 . 23 1 1 A 17 17 HIS C C 17 176.227 177.251 -1.024 1
1 208 . 23 1 1 A 17 17 HIS CA C 17 56.810 58.995 -2.185 1
1 209 . 23 1 1 A 17 17 HIS CB C 17 29.597 28.843 0.754 1
1 210 . 23 1 1 A 17 17 HIS N N 17 115.499 115.809 -0.310 1
1 211 . 23 1 1 A 18 18 LYS H H 18 7.888 8.238 -0.350 1
1 212 . 23 1 1 A 18 18 LYS HA H 18 3.870 3.989 -0.119 1
1 221 . 23 1 1 A 18 18 LYS C C 18 176.927 178.500 -1.573 1
1 222 . 23 1 1 A 18 18 LYS CA C 18 57.897 58.622 -0.725 1
1 223 . 23 1 1 A 18 18 LYS CB C 18 31.582 32.917 -1.335 1
1 227 . 23 1 1 A 18 18 LYS N N 18 121.217 121.242 -0.025 1
1 228 . 23 1 1 A 19 19 TYR H H 19 6.928 8.361 -1.433 1
1 229 . 23 1 1 A 19 19 TYR HA H 19 4.163 4.120 0.043 1
1 234 . 23 1 1 A 19 19 TYR C C 19 175.027 177.986 -2.959 1
1 235 . 23 1 1 A 19 19 TYR CA C 19 59.335 60.507 -1.172 1
1 236 . 23 1 1 A 19 19 TYR CB C 19 39.515 37.810 1.705 1
1 237 . 23 1 1 A 19 19 TYR N N 19 114.488 118.817 -4.329 1
1 238 . 23 1 1 A 20 20 SER H H 20 8.021 8.183 -0.162 1
1 239 . 23 1 1 A 20 20 SER HA H 20 3.105 4.009 -0.904 1
1 242 . 23 1 1 A 20 20 SER C C 20 176.527 174.443 2.084 1
1 243 . 23 1 1 A 20 20 SER CA C 20 60.457 60.179 0.278 1
1 244 . 23 1 1 A 20 20 SER CB C 20 60.326 62.478 -2.152 1
1 245 . 23 1 1 A 20 20 SER N N 20 112.624 114.546 -1.922 1
1 246 . 23 1 1 A 21 21 GLY H H 21 7.908 7.527 0.381 1
1 247 . 23 1 1 A 21 21 GLY HA2 H 21 4.197 4.067 0.130 1
1 248 . 23 1 1 A 21 21 GLY HA3 H 21 3.761 4.110 -0.349 1
1 249 . 23 1 1 A 21 21 GLY C C 21 173.027 174.265 -1.238 1
1 250 . 23 1 1 A 21 21 GLY CA C 21 44.357 45.089 -0.732 1
1 251 . 23 1 1 A 21 21 GLY N N 21 112.095 107.985 4.110 1
1 252 . 23 1 1 A 22 22 ARG H H 22 7.470 8.813 -1.343 1
1 253 . 23 1 1 A 22 22 ARG HA H 22 3.956 4.283 -0.327 1
1 260 . 23 1 1 A 22 22 ARG C C 22 176.327 176.086 0.241 1
1 261 . 23 1 1 A 22 22 ARG CA C 22 58.189 57.003 1.186 1
1 262 . 23 1 1 A 22 22 ARG CB C 22 29.483 30.844 -1.361 1
1 265 . 23 1 1 A 22 22 ARG N N 22 122.481 123.487 -1.006 1
1 266 . 23 1 1 A 23 23 GLU H H 23 9.412 7.763 1.649 1
1 267 . 23 1 1 A 23 23 GLU HA H 23 4.626 4.521 0.105 1
1 272 . 23 1 1 A 23 23 GLU C C 23 175.027 175.346 -0.319 1
1 273 . 23 1 1 A 23 23 GLU CA C 23 53.319 55.189 -1.870 1
1 274 . 23 1 1 A 23 23 GLU CB C 23 32.032 31.086 0.946 1
1 276 . 23 1 1 A 23 23 GLU N N 23 116.123 114.666 1.457 1
1 277 . 23 1 1 A 24 24 GLY H H 24 9.080 8.806 0.274 1
1 278 . 23 1 1 A 24 24 GLY HA2 H 24 3.694 3.679 0.015 1
1 279 . 23 1 1 A 24 24 GLY HA3 H 24 3.878 3.754 0.124 1
1 280 . 23 1 1 A 24 24 GLY C C 24 172.827 174.243 -1.416 1
1 281 . 23 1 1 A 24 24 GLY CA C 24 44.707 47.099 -2.392 1
1 282 . 23 1 1 A 24 24 GLY N N 24 114.015 109.475 4.540 1
1 283 . 23 1 1 A 25 25 SER H H 25 8.465 8.381 0.084 1
1 284 . 23 1 1 A 25 25 SER HA H 25 4.312 4.427 -0.115 1
1 287 . 23 1 1 A 25 25 SER C C 25 178.027 174.676 3.351 1
1 288 . 23 1 1 A 25 25 SER CA C 25 57.478 58.896 -1.418 1
1 289 . 23 1 1 A 25 25 SER CB C 25 61.941 62.154 -0.213 1
1 290 . 23 1 1 A 25 25 SER N N 25 117.299 115.052 2.247 1
1 291 . 23 1 1 A 26 26 LYS H H 26 9.532 8.818 0.714 1
1 292 . 23 1 1 A 26 26 LYS HA H 26 4.660 4.197 0.463 1
1 301 . 23 1 1 A 26 26 LYS C C 26 176.127 177.297 -1.170 1
1 302 . 23 1 1 A 26 26 LYS CA C 26 56.928 58.297 -1.369 1
1 303 . 23 1 1 A 26 26 LYS CB C 26 30.526 32.088 -1.562 1
1 307 . 23 1 1 A 26 26 LYS N N 26 131.209 126.948 4.261 1
1 308 . 23 1 1 A 27 27 LEU H H 27 8.643 7.703 0.940 1
1 309 . 23 1 1 A 27 27 LEU HA H 27 4.583 4.771 -0.188 1
1 319 . 23 1 1 A 27 27 LEU C C 27 174.827 176.407 -1.580 1
1 320 . 23 1 1 A 27 27 LEU CA C 27 53.205 54.757 -1.552 1
1 321 . 23 1 1 A 27 27 LEU CB C 27 41.824 42.797 -0.973 1
1 325 . 23 1 1 A 27 27 LEU N N 27 118.729 117.799 0.930 1
1 326 . 23 1 1 A 28 28 THR H H 28 7.037 7.622 -0.585 1
1 327 . 23 1 1 A 28 28 THR HA H 28 5.168 5.315 -0.147 1
1 332 . 23 1 1 A 28 28 THR C C 28 172.727 172.496 0.231 1
1 333 . 23 1 1 A 28 28 THR CA C 28 57.915 60.207 -2.292 1
1 334 . 23 1 1 A 28 28 THR CB C 28 71.934 71.930 0.004 1
1 336 . 23 1 1 A 28 28 THR N N 28 104.663 109.855 -5.192 1
1 337 . 23 1 1 A 29 29 LEU H H 29 9.517 9.120 0.397 1
1 338 . 23 1 1 A 29 29 LEU HA H 29 5.196 5.130 0.066 1
1 348 . 23 1 1 A 29 29 LEU C C 29 175.527 176.016 -0.489 1
1 349 . 23 1 1 A 29 29 LEU CA C 29 51.653 53.701 -2.048 1
1 350 . 23 1 1 A 29 29 LEU CB C 29 42.301 42.212 0.089 1
1 354 . 23 1 1 A 29 29 LEU N N 29 125.388 126.277 -0.889 1
1 355 . 23 1 1 A 30 30 SER H H 30 10.053 9.270 0.783 1
1 356 . 23 1 1 A 30 30 SER HA H 30 4.475 4.618 -0.143 1
1 359 . 23 1 1 A 30 30 SER C C 30 173.427 175.406 -1.979 1
1 360 . 23 1 1 A 30 30 SER CA C 30 55.011 58.106 -3.095 1
1 361 . 23 1 1 A 30 30 SER CB C 30 64.446 63.819 0.627 1
1 362 . 23 1 1 A 30 30 SER N N 30 121.114 120.385 0.729 1
1 363 . 23 1 1 A 31 31 ARG H H 31 8.992 8.399 0.593 1
1 364 . 23 1 1 A 31 31 ARG HA H 31 3.923 3.923 0.000 1
1 371 . 23 1 1 A 31 31 ARG C C 31 177.027 178.064 -1.037 1
1 372 . 23 1 1 A 31 31 ARG CA C 31 59.408 59.896 -0.488 1
1 373 . 23 1 1 A 31 31 ARG CB C 31 29.041 30.090 -1.049 1
1 376 . 23 1 1 A 31 31 ARG N N 31 120.513 126.681 -6.168 1
1 377 . 23 1 1 A 32 32 LYS H H 32 7.845 8.066 -0.221 1
1 378 . 23 1 1 A 32 32 LYS HA H 32 3.826 4.014 -0.188 1
1 387 . 23 1 1 A 32 32 LYS C C 32 178.927 179.023 -0.096 1
1 388 . 23 1 1 A 32 32 LYS CA C 32 58.677 59.161 -0.484 1
1 389 . 23 1 1 A 32 32 LYS CB C 32 31.964 32.056 -0.092 1
1 393 . 23 1 1 A 32 32 LYS N N 32 117.011 117.827 -0.816 1
1 394 . 23 1 1 A 33 33 GLU H H 33 7.612 8.011 -0.399 1
1 395 . 23 1 1 A 33 33 GLU HA H 33 3.954 4.053 -0.099 1
1 400 . 23 1 1 A 33 33 GLU C C 33 177.227 179.115 -1.888 1
1 401 . 23 1 1 A 33 33 GLU CA C 33 58.289 59.049 -0.760 1
1 402 . 23 1 1 A 33 33 GLU CB C 33 29.757 29.367 0.390 1
1 404 . 23 1 1 A 33 33 GLU N N 33 120.815 119.535 1.280 1
1 405 . 23 1 1 A 34 34 LEU H H 34 8.694 8.076 0.618 1
1 406 . 23 1 1 A 34 34 LEU HA H 34 3.811 4.008 -0.197 1
1 416 . 23 1 1 A 34 34 LEU C C 34 176.927 178.152 -1.225 1
1 417 . 23 1 1 A 34 34 LEU CA C 34 57.025 57.768 -0.743 1
1 418 . 23 1 1 A 34 34 LEU CB C 34 40.638 41.895 -1.257 1
1 422 . 23 1 1 A 34 34 LEU N N 34 119.291 121.438 -2.147 1
1 423 . 23 1 1 A 35 35 LYS H H 35 8.114 7.996 0.118 1
1 424 . 23 1 1 A 35 35 LYS HA H 35 3.569 3.793 -0.224 1
1 433 . 23 1 1 A 35 35 LYS C C 35 177.027 178.638 -1.611 1
1 434 . 23 1 1 A 35 35 LYS CA C 35 59.419 59.480 -0.061 1
1 435 . 23 1 1 A 35 35 LYS CB C 35 31.271 32.052 -0.781 1
1 439 . 23 1 1 A 35 35 LYS N N 35 117.277 118.459 -1.182 1
1 440 . 23 1 1 A 36 36 GLU H H 36 7.560 7.612 -0.052 1
1 441 . 23 1 1 A 36 36 GLU HA H 36 3.845 4.005 -0.160 1
1 446 . 23 1 1 A 36 36 GLU C C 36 175.827 178.289 -2.462 1
1 447 . 23 1 1 A 36 36 GLU CA C 36 58.190 59.139 -0.949 1
1 448 . 23 1 1 A 36 36 GLU CB C 36 28.253 29.440 -1.187 1
1 450 . 23 1 1 A 36 36 GLU N N 36 119.302 119.265 0.037 1
1 451 . 23 1 1 A 37 37 LEU H H 37 7.682 7.723 -0.041 1
1 452 . 23 1 1 A 37 37 LEU HA H 37 2.280 3.249 -0.969 1
1 462 . 23 1 1 A 37 37 LEU C C 37 178.327 178.254 0.073 1
1 463 . 23 1 1 A 37 37 LEU CA C 37 58.225 58.178 0.047 1
1 464 . 23 1 1 A 37 37 LEU CB C 37 41.090 41.573 -0.483 1
1 468 . 23 1 1 A 37 37 LEU N N 37 121.690 120.342 1.348 1
1 469 . 23 1 1 A 38 38 ILE H H 38 8.157 8.344 -0.187 1
1 470 . 23 1 1 A 38 38 ILE HA H 38 3.292 3.590 -0.298 1
1 480 . 23 1 1 A 38 38 ILE C C 38 177.027 178.254 -1.227 1
1 481 . 23 1 1 A 38 38 ILE CA C 38 65.007 65.809 -0.802 1
1 482 . 23 1 1 A 38 38 ILE CB C 38 37.187 37.989 -0.802 1
1 486 . 23 1 1 A 38 38 ILE N N 38 117.626 119.643 -2.017 1
1 487 . 23 1 1 A 39 39 LYS H H 39 8.068 7.997 0.071 1
1 488 . 23 1 1 A 39 39 LYS HA H 39 3.876 3.946 -0.070 1
1 497 . 23 1 1 A 39 39 LYS C C 39 177.927 178.964 -1.037 1
1 498 . 23 1 1 A 39 39 LYS CA C 39 58.204 59.151 -0.947 1
1 499 . 23 1 1 A 39 39 LYS CB C 39 31.731 31.942 -0.211 1
1 503 . 23 1 1 A 39 39 LYS N N 39 117.909 120.563 -2.654 1
1 504 . 23 1 1 A 40 40 LYS H H 40 8.094 7.804 0.290 1
1 505 . 23 1 1 A 40 40 LYS HA H 40 4.248 4.171 0.077 1
1 514 . 23 1 1 A 40 40 LYS C C 40 178.227 178.971 -0.744 1
1 515 . 23 1 1 A 40 40 LYS CA C 40 56.291 59.630 -3.339 1
1 516 . 23 1 1 A 40 40 LYS CB C 40 32.652 32.064 0.588 1
1 520 . 23 1 1 A 40 40 LYS N N 40 114.323 118.747 -4.424 1
1 521 . 23 1 1 A 41 41 GLU H H 41 8.381 7.951 0.430 1
1 522 . 23 1 1 A 41 41 GLU HA H 41 4.744 4.156 0.588 1
1 527 . 23 1 1 A 41 41 GLU C C 41 176.227 178.406 -2.179 1
1 528 . 23 1 1 A 41 41 GLU CA C 41 55.054 59.084 -4.030 1
1 529 . 23 1 1 A 41 41 GLU CB C 41 29.598 29.573 0.025 1
1 531 . 23 1 1 A 41 41 GLU N N 41 113.079 119.346 -6.267 1
1 532 . 23 1 1 A 42 42 LEU H H 42 7.544 8.424 -0.880 1
1 533 . 23 1 1 A 42 42 LEU HA H 42 4.754 4.487 0.267 1
1 542 . 23 1 1 A 42 42 LEU CA C 42 52.564 54.567 -2.003 1
1 543 . 23 1 1 A 42 42 LEU CB C 42 43.848 41.451 2.397 1
1 546 . 23 1 1 A 42 42 LEU N N 42 118.458 118.741 -0.283 1
1 547 . 23 1 1 A 43 43 CYS H H 43 8.342 7.967 0.375 1
1 548 . 23 1 1 A 43 43 CYS HA H 43 4.486 4.422 0.064 1
1 551 . 23 1 1 A 43 43 CYS C C 43 174.327 175.726 -1.399 1
1 552 . 23 1 1 A 43 43 CYS CA C 43 57.655 60.627 -2.972 1
1 553 . 23 1 1 A 43 43 CYS CB C 43 25.653 26.979 -1.326 1
1 554 . 23 1 1 A 44 44 LEU H H 44 8.123 7.674 0.449 1
1 555 . 23 1 1 A 44 44 LEU HA H 44 4.339 4.191 0.148 1
1 565 . 23 1 1 A 44 44 LEU C C 44 176.927 176.972 -0.045 1
1 566 . 23 1 1 A 44 44 LEU CA C 44 53.750 55.723 -1.973 1
1 567 . 23 1 1 A 44 44 LEU CB C 44 40.784 42.720 -1.936 1
1 571 . 23 1 1 A 44 44 LEU N N 44 121.974 120.287 1.687 1
1 572 . 23 1 1 A 45 45 GLY H H 45 8.072 7.797 0.275 1
1 573 . 23 1 1 A 45 45 GLY HA2 H 45 3.889 3.992 -0.103 1
1 574 . 23 1 1 A 45 45 GLY HA3 H 45 3.698 4.088 -0.390 1
1 575 . 23 1 1 A 45 45 GLY C C 45 173.127 174.474 -1.347 1
1 576 . 23 1 1 A 45 45 GLY CA C 45 44.291 44.933 -0.642 1
1 577 . 23 1 1 A 45 45 GLY N N 45 107.819 105.585 2.234 1
1 578 . 23 1 1 A 46 46 GLU H H 46 8.472 7.471 1.001 1
1 579 . 23 1 1 A 46 46 GLU HA H 46 4.048 4.621 -0.573 1
1 584 . 23 1 1 A 46 46 GLU C C 46 175.727 176.618 -0.891 1
1 585 . 23 1 1 A 46 46 GLU CA C 46 56.461 55.728 0.733 1
1 586 . 23 1 1 A 46 46 GLU CB C 46 28.208 31.270 -3.062 1
1 588 . 23 1 1 A 46 46 GLU N N 46 120.563 120.440 0.123 1
1 589 . 23 1 1 A 47 47 MET H H 47 8.189 8.851 -0.662 1
1 590 . 23 1 1 A 47 47 MET HA H 47 4.413 4.188 0.225 1
1 598 . 23 1 1 A 47 47 MET C C 47 175.027 175.539 -0.512 1
1 599 . 23 1 1 A 47 47 MET CA C 47 53.905 57.393 -3.488 1
1 600 . 23 1 1 A 47 47 MET CB C 47 32.611 30.999 1.612 1
1 603 . 23 1 1 A 47 47 MET N N 47 123.201 117.051 6.150 1
1 604 . 23 1 1 A 48 48 LYS H H 48 8.355 7.810 0.545 1
1 605 . 23 1 1 A 48 48 LYS HA H 48 4.237 4.248 -0.011 1
1 614 . 23 1 1 A 48 48 LYS C C 48 177.027 177.763 -0.736 1
1 615 . 23 1 1 A 48 48 LYS CA C 48 55.443 57.268 -1.825 1
1 616 . 23 1 1 A 48 48 LYS CB C 48 32.173 32.844 -0.671 1
1 620 . 23 1 1 A 48 48 LYS N N 48 123.046 120.236 2.810 1
1 621 . 23 1 1 A 49 49 GLU H H 49 8.742 8.649 0.093 1
1 622 . 23 1 1 A 49 49 GLU HA H 49 3.884 3.972 -0.088 1
1 627 . 23 1 1 A 49 49 GLU C C 49 177.727 177.998 -0.271 1
1 628 . 23 1 1 A 49 49 GLU CA C 49 58.534 60.037 -1.503 1
1 629 . 23 1 1 A 49 49 GLU CB C 49 27.870 29.634 -1.764 1
1 631 . 23 1 1 A 49 49 GLU N N 49 122.407 124.199 -1.792 1
1 632 . 23 1 1 A 50 50 SER H H 50 8.324 8.109 0.215 1
1 633 . 23 1 1 A 50 50 SER HA H 50 4.188 4.266 -0.078 1
1 636 . 23 1 1 A 50 50 SER C C 50 175.427 177.049 -1.622 1
1 637 . 23 1 1 A 50 50 SER CA C 50 59.402 60.861 -1.459 1
1 638 . 23 1 1 A 50 50 SER CB C 50 61.442 62.877 -1.435 1
1 639 . 23 1 1 A 50 50 SER N N 50 112.475 115.315 -2.840 1
1 640 . 23 1 1 A 51 51 SER H H 51 7.400 8.162 -0.762 1
1 641 . 23 1 1 A 51 51 SER HA H 51 3.926 4.340 -0.414 1
1 644 . 23 1 1 A 51 51 SER C C 51 176.027 176.170 -0.143 1
1 645 . 23 1 1 A 51 51 SER CA C 51 59.762 60.727 -0.965 1
1 646 . 23 1 1 A 51 51 SER CB C 51 60.955 62.828 -1.873 1
1 647 . 23 1 1 A 51 51 SER N N 51 118.432 114.598 3.834 1
1 648 . 23 1 1 A 52 52 ILE H H 52 7.790 7.748 0.042 1
1 649 . 23 1 1 A 52 52 ILE HA H 52 3.642 3.741 -0.099 1
1 659 . 23 1 1 A 52 52 ILE C C 52 176.427 177.636 -1.209 1
1 660 . 23 1 1 A 52 52 ILE CA C 52 61.984 64.172 -2.188 1
1 661 . 23 1 1 A 52 52 ILE CB C 52 34.990 36.938 -1.948 1
1 665 . 23 1 1 A 52 52 ILE N N 52 123.838 120.944 2.894 1
1 666 . 23 1 1 A 53 53 ASP H H 53 8.092 8.074 0.018 1
1 667 . 23 1 1 A 53 53 ASP HA H 53 4.225 4.454 -0.229 1
1 670 . 23 1 1 A 53 53 ASP C C 53 178.227 178.110 0.117 1
1 671 . 23 1 1 A 53 53 ASP CA C 53 56.606 56.203 0.403 1
1 672 . 23 1 1 A 53 53 ASP CB C 53 39.034 41.184 -2.150 1
1 673 . 23 1 1 A 53 53 ASP N N 53 121.313 120.812 0.501 1
1 674 . 23 1 1 A 54 54 ASP H H 54 7.811 8.091 -0.280 1
1 675 . 23 1 1 A 54 54 ASP HA H 54 4.253 4.387 -0.134 1
1 678 . 23 1 1 A 54 54 ASP C C 54 177.927 178.171 -0.244 1
1 679 . 23 1 1 A 54 54 ASP CA C 54 56.467 57.247 -0.780 1
1 680 . 23 1 1 A 54 54 ASP CB C 54 39.401 40.948 -1.547 1
1 681 . 23 1 1 A 54 54 ASP N N 54 120.122 119.430 0.692 1
1 682 . 23 1 1 A 55 55 LEU H H 55 7.789 7.694 0.095 1
1 683 . 23 1 1 A 55 55 LEU HA H 55 3.979 4.078 -0.099 1
1 693 . 23 1 1 A 55 55 LEU C C 55 178.027 178.564 -0.537 1
1 694 . 23 1 1 A 55 55 LEU CA C 55 56.713 58.123 -1.410 1
1 695 . 23 1 1 A 55 55 LEU CB C 55 40.799 41.147 -0.348 1
1 699 . 23 1 1 A 55 55 LEU N N 55 122.944 120.469 2.475 1
1 700 . 23 1 1 A 56 56 MET H H 56 8.601 8.357 0.244 1
1 701 . 23 1 1 A 56 56 MET HA H 56 3.827 3.934 -0.107 1
1 709 . 23 1 1 A 56 56 MET C C 56 177.027 178.237 -1.210 1
1 710 . 23 1 1 A 56 56 MET CA C 56 57.116 59.059 -1.943 1
1 711 . 23 1 1 A 56 56 MET CB C 56 29.825 32.700 -2.875 1
1 714 . 23 1 1 A 56 56 MET N N 56 117.863 117.045 0.818 1
1 715 . 23 1 1 A 57 57 LYS H H 57 7.693 7.807 -0.114 1
1 716 . 23 1 1 A 57 57 LYS HA H 57 3.954 4.100 -0.146 1
1 725 . 23 1 1 A 57 57 LYS C C 57 178.127 178.584 -0.457 1
1 726 . 23 1 1 A 57 57 LYS CA C 57 58.352 58.733 -0.381 1
1 727 . 23 1 1 A 57 57 LYS CB C 57 31.315 31.968 -0.653 1
1 731 . 23 1 1 A 57 57 LYS N N 57 116.455 120.462 -4.007 1
1 732 . 23 1 1 A 58 58 SER H H 58 7.661 7.971 -0.310 1
1 733 . 23 1 1 A 58 58 SER HA H 58 4.115 4.371 -0.256 1
1 736 . 23 1 1 A 58 58 SER C C 58 174.827 176.771 -1.944 1
1 737 . 23 1 1 A 58 58 SER CA C 58 59.986 61.085 -1.099 1
1 738 . 23 1 1 A 58 58 SER CB C 58 62.464 62.929 -0.465 1
1 739 . 23 1 1 A 58 58 SER N N 58 113.020 115.115 -2.095 1
1 740 . 23 1 1 A 59 59 LEU H H 59 7.917 7.691 0.226 1
1 741 . 23 1 1 A 59 59 LEU HA H 59 4.269 4.301 -0.032 1
1 751 . 23 1 1 A 59 59 LEU C C 59 177.627 176.998 0.629 1
1 752 . 23 1 1 A 59 59 LEU CA C 59 54.402 56.285 -1.883 1
1 753 . 23 1 1 A 59 59 LEU CB C 59 43.731 43.104 0.627 1
1 757 . 23 1 1 A 59 59 LEU N N 59 117.463 119.096 -1.633 1
1 758 . 23 1 1 A 60 60 ASP H H 60 8.025 8.333 -0.308 1
1 759 . 23 1 1 A 60 60 ASP HA H 60 4.566 4.677 -0.111 1
1 762 . 23 1 1 A 60 60 ASP C C 60 176.627 176.107 0.520 1
1 763 . 23 1 1 A 60 60 ASP CA C 60 52.335 54.344 -2.009 1
1 764 . 23 1 1 A 60 60 ASP CB C 60 38.139 41.822 -3.683 1
1 765 . 23 1 1 A 60 60 ASP N N 60 117.588 118.360 -0.772 1
1 766 . 23 1 1 A 61 61 LYS H H 61 8.100 8.989 -0.889 1
1 767 . 23 1 1 A 61 61 LYS HA H 61 4.035 4.405 -0.370 1
1 776 . 23 1 1 A 61 61 LYS C C 61 176.727 177.243 -0.516 1
1 777 . 23 1 1 A 61 61 LYS CA C 61 56.887 56.651 0.236 1
1 778 . 23 1 1 A 61 61 LYS CB C 61 31.653 33.023 -1.370 1
1 782 . 23 1 1 A 61 61 LYS N N 61 126.943 126.364 0.579 1
1 783 . 23 1 1 A 62 62 ASN H H 62 7.864 7.744 0.120 1
1 784 . 23 1 1 A 62 62 ASN HA H 62 4.759 4.792 -0.033 1
1 789 . 23 1 1 A 62 62 ASN C C 62 173.727 174.963 -1.236 1
1 790 . 23 1 1 A 62 62 ASN CA C 62 50.660 53.213 -2.553 1
1 791 . 23 1 1 A 62 62 ASN CB C 62 35.920 39.576 -3.656 1
1 792 . 23 1 1 A 62 62 ASN N N 62 113.588 115.699 -2.111 1
1 794 . 23 1 1 A 63 63 SER H H 63 7.613 8.300 -0.687 1
1 795 . 23 1 1 A 63 63 SER HA H 63 3.962 4.285 -0.323 1
1 798 . 23 1 1 A 63 63 SER C C 63 172.927 173.893 -0.966 1
1 799 . 23 1 1 A 63 63 SER CA C 63 58.262 59.382 -1.120 1
1 800 . 23 1 1 A 63 63 SER CB C 63 60.708 61.032 -0.324 1
1 801 . 23 1 1 A 63 63 SER N N 63 111.592 112.955 -1.363 1
1 802 . 23 1 1 A 64 64 ASP H H 64 8.217 7.823 0.394 1
1 803 . 23 1 1 A 64 64 ASP HA H 64 4.653 4.561 0.092 1
1 806 . 23 1 1 A 64 64 ASP C C 64 175.927 176.313 -0.386 1
1 807 . 23 1 1 A 64 64 ASP CA C 64 51.641 53.347 -1.706 1
1 808 . 23 1 1 A 64 64 ASP CB C 64 39.385 40.684 -1.299 1
1 809 . 23 1 1 A 64 64 ASP N N 64 118.913 118.990 -0.077 1
1 810 . 23 1 1 A 65 65 GLN H H 65 10.239 7.882 2.357 1
1 811 . 23 1 1 A 65 65 GLN HA H 65 3.356 3.961 -0.605 1
1 818 . 23 1 1 A 65 65 GLN C C 65 172.627 174.092 -1.465 1
1 819 . 23 1 1 A 65 65 GLN CA C 65 56.325 57.222 -0.897 1
1 820 . 23 1 1 A 65 65 GLN CB C 65 24.910 26.420 -1.510 1
1 822 . 23 1 1 A 65 65 GLN N N 65 114.908 114.460 0.448 1
1 824 . 23 1 1 A 66 66 GLU H H 66 7.710 7.578 0.132 1
1 825 . 23 1 1 A 66 66 GLU HA H 66 4.691 4.928 -0.237 1
1 830 . 23 1 1 A 66 66 GLU C C 66 174.127 174.776 -0.649 1
1 831 . 23 1 1 A 66 66 GLU CA C 66 52.987 54.883 -1.896 1
1 832 . 23 1 1 A 66 66 GLU CB C 66 32.433 32.688 -0.255 1
1 834 . 23 1 1 A 66 66 GLU N N 66 115.721 114.752 0.969 1
1 835 . 23 1 1 A 67 67 ILE H H 67 9.938 9.405 0.533 1
1 836 . 23 1 1 A 67 67 ILE HA H 67 5.291 4.887 0.404 1
1 846 . 23 1 1 A 67 67 ILE C C 67 175.627 175.596 0.031 1
1 847 . 23 1 1 A 67 67 ILE CA C 67 56.241 60.478 -4.237 1
1 848 . 23 1 1 A 67 67 ILE CB C 67 35.492 37.669 -2.177 1
1 852 . 23 1 1 A 67 67 ILE N N 67 125.901 124.955 0.946 1
1 853 . 23 1 1 A 68 68 ASP H H 68 8.794 8.895 -0.101 1
1 854 . 23 1 1 A 68 68 ASP HA H 68 5.002 4.609 0.393 1
1 857 . 23 1 1 A 68 68 ASP C C 68 174.427 177.729 -3.302 1
1 858 . 23 1 1 A 68 68 ASP CA C 68 51.563 55.064 -3.501 1
1 859 . 23 1 1 A 68 68 ASP CB C 68 40.493 42.544 -2.051 1
1 860 . 23 1 1 A 68 68 ASP N N 68 127.844 128.612 -0.768 1
1 861 . 23 1 1 A 69 69 PHE H H 69 9.068 9.354 -0.286 1
1 862 . 23 1 1 A 69 69 PHE HA H 69 3.130 4.048 -0.918 1
1 869 . 23 1 1 A 69 69 PHE C C 69 176.827 177.641 -0.814 1
1 870 . 23 1 1 A 69 69 PHE CA C 69 62.478 62.099 0.379 1
1 871 . 23 1 1 A 69 69 PHE CB C 69 38.096 39.697 -1.601 1
1 872 . 23 1 1 A 69 69 PHE N N 69 118.955 128.268 -9.313 1
1 873 . 23 1 1 A 70 70 LYS H H 70 8.123 8.576 -0.453 1
1 874 . 23 1 1 A 70 70 LYS HA H 70 3.871 4.024 -0.153 1
1 883 . 23 1 1 A 70 70 LYS C C 70 179.527 179.266 0.261 1
1 884 . 23 1 1 A 70 70 LYS CA C 70 59.457 59.815 -0.358 1
1 885 . 23 1 1 A 70 70 LYS CB C 70 30.772 31.877 -1.105 1
1 889 . 23 1 1 A 70 70 LYS N N 70 120.287 119.114 1.173 1
1 890 . 23 1 1 A 71 71 GLU H H 71 8.746 8.068 0.678 1
1 891 . 23 1 1 A 71 71 GLU HA H 71 4.099 4.108 -0.009 1
1 896 . 23 1 1 A 71 71 GLU C C 71 179.127 178.918 0.209 1
1 897 . 23 1 1 A 71 71 GLU CA C 71 57.934 58.809 -0.875 1
1 898 . 23 1 1 A 71 71 GLU CB C 71 29.266 30.073 -0.807 1
1 900 . 23 1 1 A 71 71 GLU N N 71 122.207 119.328 2.879 1
1 901 . 23 1 1 A 72 72 TYR H H 72 8.879 8.673 0.206 1
1 902 . 23 1 1 A 72 72 TYR HA H 72 4.010 4.191 -0.181 1
1 909 . 23 1 1 A 72 72 TYR C C 72 175.927 178.139 -2.212 1
1 910 . 23 1 1 A 72 72 TYR CA C 72 58.551 61.763 -3.212 1
1 911 . 23 1 1 A 72 72 TYR CB C 72 38.072 38.869 -0.797 1
1 912 . 23 1 1 A 72 72 TYR N N 72 121.813 122.263 -0.450 1
1 913 . 23 1 1 A 73 73 SER H H 73 8.414 7.913 0.501 1
1 914 . 23 1 1 A 73 73 SER HA H 73 3.462 3.851 -0.389 1
1 917 . 23 1 1 A 73 73 SER C C 73 175.127 176.868 -1.741 1
1 918 . 23 1 1 A 73 73 SER CA C 73 61.876 61.065 0.811 1
1 919 . 23 1 1 A 73 73 SER CB C 73 61.327 63.021 -1.694 1
1 920 . 23 1 1 A 73 73 SER N N 73 117.840 114.436 3.404 1
1 921 . 23 1 1 A 74 74 VAL H H 74 7.363 8.525 -1.162 1
1 922 . 23 1 1 A 74 74 VAL HA H 74 3.584 3.764 -0.180 1
1 930 . 23 1 1 A 74 74 VAL C C 74 178.027 177.615 0.412 1
1 931 . 23 1 1 A 74 74 VAL CA C 74 65.397 64.637 0.760 1
1 932 . 23 1 1 A 74 74 VAL CB C 74 30.300 31.676 -1.376 1
1 935 . 23 1 1 A 74 74 VAL N N 74 123.439 119.812 3.627 1
1 936 . 23 1 1 A 75 75 PHE H H 75 7.282 8.225 -0.943 1
1 937 . 23 1 1 A 75 75 PHE HA H 75 4.562 4.101 0.461 1
1 945 . 23 1 1 A 75 75 PHE C C 75 176.127 176.829 -0.702 1
1 946 . 23 1 1 A 75 75 PHE CA C 75 57.851 61.109 -3.258 1
1 947 . 23 1 1 A 75 75 PHE CB C 75 36.863 38.959 -2.096 1
1 948 . 23 1 1 A 75 75 PHE N N 75 122.766 123.369 -0.603 1
1 949 . 23 1 1 A 76 76 LEU H H 76 7.823 7.813 0.010 1
1 950 . 23 1 1 A 76 76 LEU HA H 76 3.445 3.478 -0.033 1
1 960 . 23 1 1 A 76 76 LEU C C 76 178.927 178.997 -0.070 1
1 961 . 23 1 1 A 76 76 LEU CA C 76 56.891 57.790 -0.899 1
1 962 . 23 1 1 A 76 76 LEU CB C 76 39.917 41.313 -1.396 1
1 966 . 23 1 1 A 76 76 LEU N N 76 115.619 119.162 -3.543 1
1 967 . 23 1 1 A 77 77 THR H H 77 7.858 7.934 -0.076 1
1 968 . 23 1 1 A 77 77 THR HA H 77 3.665 3.733 -0.068 1
1 974 . 23 1 1 A 77 77 THR C C 77 175.427 176.860 -1.433 1
1 975 . 23 1 1 A 77 77 THR CA C 77 66.127 66.943 -0.816 1
1 976 . 23 1 1 A 77 77 THR CB C 77 67.585 68.515 -0.930 1
1 978 . 23 1 1 A 77 77 THR N N 77 113.417 115.918 -2.501 1
1 979 . 23 1 1 A 78 78 MET H H 78 7.970 8.241 -0.271 1
1 980 . 23 1 1 A 78 78 MET HA H 78 3.935 3.975 -0.040 1
1 988 . 23 1 1 A 78 78 MET C C 78 179.127 178.771 0.356 1
1 989 . 23 1 1 A 78 78 MET CA C 78 58.780 58.868 -0.088 1
1 990 . 23 1 1 A 78 78 MET CB C 78 31.501 32.627 -1.126 1
1 993 . 23 1 1 A 78 78 MET N N 78 122.745 118.260 4.485 1
1 994 . 23 1 1 A 79 79 LEU H H 79 7.898 8.311 -0.413 1
1 995 . 23 1 1 A 79 79 LEU HA H 79 3.870 3.816 0.054 1
1 1005 . 23 1 1 A 79 79 LEU C C 79 178.427 178.720 -0.293 1
1 1006 . 23 1 1 A 79 79 LEU CA C 79 56.843 57.799 -0.956 1
1 1007 . 23 1 1 A 79 79 LEU CB C 79 41.099 41.464 -0.365 1
1 1011 . 23 1 1 A 79 79 LEU N N 79 120.989 119.297 1.692 1
1 1012 . 23 1 1 A 80 80 CYS H H 80 8.400 8.334 0.066 1
1 1013 . 23 1 1 A 80 80 CYS HA H 80 3.830 4.227 -0.397 1
1 1017 . 23 1 1 A 80 80 CYS C C 80 175.927 177.487 -1.560 1
1 1018 . 23 1 1 A 80 80 CYS CA C 80 64.044 62.784 1.260 1
1 1019 . 23 1 1 A 80 80 CYS CB C 80 25.626 26.699 -1.073 1
1 1020 . 23 1 1 A 80 80 CYS N N 80 117.746 116.997 0.749 1
1 1021 . 23 1 1 A 81 81 MET H H 81 8.295 8.474 -0.179 1
1 1022 . 23 1 1 A 81 81 MET HA H 81 4.023 4.126 -0.103 1
1 1030 . 23 1 1 A 81 81 MET C C 81 177.327 178.054 -0.727 1
1 1031 . 23 1 1 A 81 81 MET CA C 81 57.601 59.002 -1.401 1
1 1032 . 23 1 1 A 81 81 MET CB C 81 30.668 33.094 -2.426 1
1 1035 . 23 1 1 A 81 81 MET N N 81 117.598 119.991 -2.393 1
1 1036 . 23 1 1 A 82 82 ALA H H 82 7.624 7.799 -0.175 1
1 1037 . 23 1 1 A 82 82 ALA HA H 82 4.061 4.071 -0.010 1
1 1041 . 23 1 1 A 82 82 ALA C C 82 179.627 179.431 0.196 1
1 1042 . 23 1 1 A 82 82 ALA CA C 82 53.856 55.146 -1.290 1
1 1043 . 23 1 1 A 82 82 ALA CB C 82 16.794 18.423 -1.629 1
1 1044 . 23 1 1 A 82 82 ALA N N 82 121.886 121.267 0.619 1
1 1045 . 23 1 1 A 83 83 TYR H H 83 8.476 7.693 0.783 1
1 1046 . 23 1 1 A 83 83 TYR HA H 83 4.147 4.336 -0.189 1
1 1053 . 23 1 1 A 83 83 TYR C C 83 178.127 178.235 -0.108 1
1 1054 . 23 1 1 A 83 83 TYR CA C 83 60.066 61.427 -1.361 1
1 1055 . 23 1 1 A 83 83 TYR CB C 83 36.546 37.617 -1.071 1
1 1056 . 23 1 1 A 83 83 TYR N N 83 119.136 116.427 2.709 1
1 1057 . 23 1 1 A 84 84 ASN H H 84 8.386 8.301 0.085 1
1 1058 . 23 1 1 A 84 84 ASN HA H 84 4.221 4.438 -0.217 1
1 1063 . 23 1 1 A 84 84 ASN C C 84 175.427 177.645 -2.218 1
1 1064 . 23 1 1 A 84 84 ASN CA C 84 56.123 56.855 -0.732 1
1 1065 . 23 1 1 A 84 84 ASN CB C 84 37.387 39.538 -2.151 1
1 1066 . 23 1 1 A 84 84 ASN N N 84 120.692 119.798 0.894 1
1 1068 . 23 1 1 A 85 85 ASP H H 85 7.611 8.172 -0.561 1
1 1069 . 23 1 1 A 85 85 ASP HA H 85 4.234 4.473 -0.239 1
1 1072 . 23 1 1 A 85 85 ASP C C 85 178.227 178.791 -0.564 1
1 1073 . 23 1 1 A 85 85 ASP CA C 85 56.752 57.356 -0.604 1
1 1074 . 23 1 1 A 85 85 ASP CB C 85 38.688 40.210 -1.522 1
1 1075 . 23 1 1 A 85 85 ASP N N 85 118.378 118.903 -0.525 1
1 1076 . 23 1 1 A 86 86 PHE H H 86 7.538 8.141 -0.603 1
1 1077 . 23 1 1 A 86 86 PHE HA H 86 4.291 4.295 -0.004 1
1 1084 . 23 1 1 A 86 86 PHE C C 86 176.627 177.488 -0.861 1
1 1085 . 23 1 1 A 86 86 PHE CA C 86 58.743 61.424 -2.681 1
1 1086 . 23 1 1 A 86 86 PHE CB C 86 37.488 38.884 -1.396 1
1 1087 . 23 1 1 A 86 86 PHE N N 86 118.712 122.851 -4.139 1
1 1088 . 23 1 1 A 87 87 PHE H H 87 8.132 8.329 -0.197 1
1 1089 . 23 1 1 A 87 87 PHE HA H 87 3.906 4.177 -0.271 1
1 1096 . 23 1 1 A 87 87 PHE C C 87 176.627 177.150 -0.523 1
1 1097 . 23 1 1 A 87 87 PHE CA C 87 59.554 61.740 -2.186 1
1 1098 . 23 1 1 A 87 87 PHE CB C 87 38.017 39.438 -1.421 1
1 1099 . 23 1 1 A 87 87 PHE N N 87 121.649 120.417 1.232 1
1 1100 . 23 1 1 A 88 88 LEU H H 88 7.953 7.581 0.372 1
1 1101 . 23 1 1 A 88 88 LEU HA H 88 3.775 4.255 -0.480 1
1 1111 . 23 1 1 A 88 88 LEU C C 88 177.627 177.309 0.318 1
1 1112 . 23 1 1 A 88 88 LEU CA C 88 55.078 56.361 -1.283 1
1 1113 . 23 1 1 A 88 88 LEU CB C 88 41.226 41.790 -0.564 1
1 1117 . 23 1 1 A 88 88 LEU N N 88 118.897 119.131 -0.234 1
1 1118 . 23 1 1 A 89 89 GLU H H 89 7.475 7.692 -0.217 1
1 1119 . 23 1 1 A 89 89 GLU HA H 89 3.914 4.359 -0.445 1
1 1124 . 23 1 1 A 89 89 GLU C C 89 176.127 176.396 -0.269 1
1 1125 . 23 1 1 A 89 89 GLU CA C 89 56.926 56.801 0.125 1
1 1126 . 23 1 1 A 89 89 GLU CB C 89 28.567 29.696 -1.129 1
1 1128 . 23 1 1 A 89 89 GLU N N 89 119.332 117.882 1.450 1
1 1129 . 23 1 1 A 90 90 ASP H H 90 7.750 8.247 -0.497 1
1 1130 . 23 1 1 A 90 90 ASP HA H 90 4.370 4.921 -0.551 1
1 1133 . 23 1 1 A 90 90 ASP C C 90 175.227 176.477 -1.250 1
1 1134 . 23 1 1 A 90 90 ASP CA C 90 53.593 55.597 -2.004 1
1 1135 . 23 1 1 A 90 90 ASP CB C 90 40.323 42.863 -2.540 1
1 1136 . 23 1 1 A 90 90 ASP N N 90 118.945 120.593 -1.648 1
1 1137 . 23 1 1 A 91 91 ASN H H 91 7.681 7.842 -0.161 1
1 1138 . 23 1 1 A 91 91 ASN HA H 91 4.495 4.707 -0.212 1
1 1143 . 23 1 1 A 91 91 ASN C C 91 173.027 174.381 -1.354 1
1 1144 . 23 1 1 A 91 91 ASN CA C 91 52.041 52.398 -0.357 1
1 1145 . 23 1 1 A 91 91 ASN CB C 91 38.072 36.361 1.711 1
1 1146 . 23 1 1 A 91 91 ASN N N 91 118.171 116.944 1.227 1
1 10 . 24 1 1 A 2 2 GLU H H 2 8.776 8.915 -0.139 1
1 11 . 24 1 1 A 2 2 GLU HA H 2 4.535 4.455 0.080 1
1 16 . 24 1 1 A 2 2 GLU C C 2 175.627 176.626 -0.999 1
1 17 . 24 1 1 A 2 2 GLU CA C 2 55.573 56.958 -1.385 1
1 18 . 24 1 1 A 2 2 GLU CB C 2 30.569 30.808 -0.239 1
1 20 . 24 1 1 A 2 2 GLU N N 2 124.305 123.666 0.639 1
1 21 . 24 1 1 A 3 3 THR H H 3 8.835 7.971 0.864 1
1 22 . 24 1 1 A 3 3 THR HA H 3 4.608 4.870 -0.262 1
1 27 . 24 1 1 A 3 3 THR CA C 3 59.187 58.634 0.553 1
1 28 . 24 1 1 A 3 3 THR CB C 3 67.385 70.987 -3.602 1
1 30 . 24 1 1 A 3 3 THR N N 3 116.176 110.148 6.028 1
1 31 . 24 1 1 A 4 4 PRO HA H 4 4.158 4.460 -0.302 1
1 38 . 24 1 1 A 4 4 PRO C C 4 179.327 177.871 1.456 1
1 39 . 24 1 1 A 4 4 PRO CA C 4 65.040 64.443 0.597 1
1 40 . 24 1 1 A 4 4 PRO CB C 4 30.616 31.906 -1.290 1
1 43 . 24 1 1 A 5 5 LEU H H 5 8.794 7.566 1.228 1
1 44 . 24 1 1 A 5 5 LEU HA H 5 3.944 4.018 -0.074 1
1 54 . 24 1 1 A 5 5 LEU C C 5 177.327 178.304 -0.977 1
1 55 . 24 1 1 A 5 5 LEU CA C 5 56.920 57.270 -0.350 1
1 56 . 24 1 1 A 5 5 LEU CB C 5 41.139 41.833 -0.694 1
1 60 . 24 1 1 A 5 5 LEU N N 5 118.892 118.301 0.591 1
1 61 . 24 1 1 A 6 6 GLU H H 6 7.664 7.836 -0.172 1
1 62 . 24 1 1 A 6 6 GLU HA H 6 3.744 3.960 -0.216 1
1 67 . 24 1 1 A 6 6 GLU C C 6 178.827 179.777 -0.950 1
1 68 . 24 1 1 A 6 6 GLU CA C 6 59.347 59.567 -0.220 1
1 69 . 24 1 1 A 6 6 GLU CB C 6 28.700 29.208 -0.508 1
1 71 . 24 1 1 A 6 6 GLU N N 6 118.741 118.840 -0.099 1
1 72 . 24 1 1 A 7 7 LYS H H 7 8.435 7.973 0.462 1
1 73 . 24 1 1 A 7 7 LYS HA H 7 3.909 4.194 -0.285 1
1 82 . 24 1 1 A 7 7 LYS C C 7 178.527 178.732 -0.205 1
1 83 . 24 1 1 A 7 7 LYS CA C 7 58.539 58.216 0.323 1
1 84 . 24 1 1 A 7 7 LYS CB C 7 31.217 31.983 -0.766 1
1 88 . 24 1 1 A 7 7 LYS N N 7 119.285 120.663 -1.378 1
1 89 . 24 1 1 A 8 8 ALA H H 8 8.008 7.902 0.106 1
1 90 . 24 1 1 A 8 8 ALA HA H 8 4.038 4.032 0.006 1
1 94 . 24 1 1 A 8 8 ALA C C 8 178.327 180.004 -1.677 1
1 95 . 24 1 1 A 8 8 ALA CA C 8 54.356 55.189 -0.833 1
1 96 . 24 1 1 A 8 8 ALA CB C 8 17.509 18.644 -1.135 1
1 97 . 24 1 1 A 8 8 ALA N N 8 123.866 122.079 1.787 1
1 98 . 24 1 1 A 9 9 LEU H H 9 8.163 8.264 -0.101 1
1 99 . 24 1 1 A 9 9 LEU HA H 9 3.809 3.933 -0.124 1
1 109 . 24 1 1 A 9 9 LEU C C 9 178.527 179.368 -0.841 1
1 110 . 24 1 1 A 9 9 LEU CA C 9 57.256 58.015 -0.759 1
1 111 . 24 1 1 A 9 9 LEU CB C 9 40.483 41.457 -0.974 1
1 115 . 24 1 1 A 9 9 LEU N N 9 119.134 117.999 1.135 1
1 116 . 24 1 1 A 10 10 THR H H 10 8.186 7.958 0.228 1
1 117 . 24 1 1 A 10 10 THR HA H 10 3.741 4.076 -0.335 1
1 122 . 24 1 1 A 10 10 THR C C 10 176.727 177.670 -0.943 1
1 123 . 24 1 1 A 10 10 THR CA C 10 66.345 66.020 0.325 1
1 124 . 24 1 1 A 10 10 THR CB C 10 67.558 67.899 -0.341 1
1 126 . 24 1 1 A 10 10 THR N N 10 114.355 110.432 3.923 1
1 127 . 24 1 1 A 11 11 THR H H 11 8.387 7.920 0.467 1
1 128 . 24 1 1 A 11 11 THR HA H 11 3.963 4.001 -0.038 1
1 133 . 24 1 1 A 11 11 THR C C 11 176.827 176.709 0.118 1
1 134 . 24 1 1 A 11 11 THR CA C 11 65.801 66.371 -0.570 1
1 135 . 24 1 1 A 11 11 THR CB C 11 67.140 68.287 -1.147 1
1 137 . 24 1 1 A 11 11 THR N N 11 120.801 117.234 3.567 1
1 138 . 24 1 1 A 12 12 MET H H 12 8.299 8.103 0.196 1
1 139 . 24 1 1 A 12 12 MET HA H 12 3.872 4.270 -0.398 1
1 147 . 24 1 1 A 12 12 MET C C 12 177.827 178.493 -0.666 1
1 148 . 24 1 1 A 12 12 MET CA C 12 59.263 58.552 0.711 1
1 149 . 24 1 1 A 12 12 MET CB C 12 31.845 32.626 -0.781 1
1 152 . 24 1 1 A 12 12 MET N N 12 124.102 118.512 5.590 1
1 153 . 24 1 1 A 13 13 VAL H H 13 7.820 7.889 -0.069 1
1 154 . 24 1 1 A 13 13 VAL HA H 13 3.937 3.714 0.223 1
1 162 . 24 1 1 A 13 13 VAL C C 13 177.127 178.563 -1.436 1
1 163 . 24 1 1 A 13 13 VAL CA C 13 65.677 66.586 -0.909 1
1 164 . 24 1 1 A 13 13 VAL CB C 13 31.656 31.562 0.094 1
1 167 . 24 1 1 A 13 13 VAL N N 13 119.838 120.049 -0.211 1
1 168 . 24 1 1 A 14 14 THR H H 14 9.107 8.240 0.867 1
1 169 . 24 1 1 A 14 14 THR HA H 14 3.654 3.993 -0.339 1
1 174 . 24 1 1 A 14 14 THR C C 14 177.527 176.854 0.673 1
1 175 . 24 1 1 A 14 14 THR CA C 14 65.273 66.376 -1.103 1
1 176 . 24 1 1 A 14 14 THR CB C 14 67.652 68.909 -1.257 1
1 178 . 24 1 1 A 14 14 THR N N 14 112.247 117.066 -4.819 1
1 179 . 24 1 1 A 15 15 THR H H 15 8.189 7.986 0.203 1
1 180 . 24 1 1 A 15 15 THR HA H 15 3.864 4.121 -0.257 1
1 186 . 24 1 1 A 15 15 THR C C 15 173.627 176.731 -3.104 1
1 187 . 24 1 1 A 15 15 THR CA C 15 66.930 65.121 1.809 1
1 188 . 24 1 1 A 15 15 THR CB C 15 66.539 68.817 -2.278 1
1 190 . 24 1 1 A 15 15 THR N N 15 117.691 113.877 3.814 1
1 191 . 24 1 1 A 16 16 PHE H H 16 6.850 8.413 -1.563 1
1 192 . 24 1 1 A 16 16 PHE HA H 16 3.417 4.084 -0.667 1
1 199 . 24 1 1 A 16 16 PHE C C 16 175.627 177.872 -2.245 1
1 200 . 24 1 1 A 16 16 PHE CA C 16 61.577 61.629 -0.052 1
1 201 . 24 1 1 A 16 16 PHE CB C 16 38.177 38.715 -0.538 1
1 202 . 24 1 1 A 16 16 PHE N N 16 120.169 121.868 -1.699 1
1 203 . 24 1 1 A 17 17 HIS H H 17 6.924 8.106 -1.182 1
1 204 . 24 1 1 A 17 17 HIS HA H 17 4.755 4.353 0.402 1
1 207 . 24 1 1 A 17 17 HIS C C 17 176.227 177.237 -1.010 1
1 208 . 24 1 1 A 17 17 HIS CA C 17 56.810 59.417 -2.607 1
1 209 . 24 1 1 A 17 17 HIS CB C 17 29.597 29.521 0.076 1
1 210 . 24 1 1 A 17 17 HIS N N 17 115.499 117.371 -1.872 1
1 211 . 24 1 1 A 18 18 LYS H H 18 7.888 7.828 0.060 1
1 212 . 24 1 1 A 18 18 LYS HA H 18 3.870 3.781 0.089 1
1 221 . 24 1 1 A 18 18 LYS C C 18 176.927 177.634 -0.707 1
1 222 . 24 1 1 A 18 18 LYS CA C 18 57.897 58.651 -0.754 1
1 223 . 24 1 1 A 18 18 LYS CB C 18 31.582 31.864 -0.282 1
1 227 . 24 1 1 A 18 18 LYS N N 18 121.217 121.022 0.195 1
1 228 . 24 1 1 A 19 19 TYR H H 19 6.928 6.896 0.032 1
1 229 . 24 1 1 A 19 19 TYR HA H 19 4.163 4.373 -0.210 1
1 234 . 24 1 1 A 19 19 TYR C C 19 175.027 177.706 -2.679 1
1 235 . 24 1 1 A 19 19 TYR CA C 19 59.335 59.626 -0.291 1
1 236 . 24 1 1 A 19 19 TYR CB C 19 39.515 39.687 -0.172 1
1 237 . 24 1 1 A 19 19 TYR N N 19 114.488 117.196 -2.708 1
1 238 . 24 1 1 A 20 20 SER H H 20 8.021 8.336 -0.315 1
1 239 . 24 1 1 A 20 20 SER HA H 20 3.105 3.876 -0.771 1
1 242 . 24 1 1 A 20 20 SER C C 20 176.527 176.217 0.310 1
1 243 . 24 1 1 A 20 20 SER CA C 20 60.457 60.846 -0.389 1
1 244 . 24 1 1 A 20 20 SER CB C 20 60.326 62.669 -2.343 1
1 245 . 24 1 1 A 20 20 SER N N 20 112.624 115.996 -3.372 1
1 246 . 24 1 1 A 21 21 GLY H H 21 7.908 7.992 -0.084 1
1 247 . 24 1 1 A 21 21 GLY HA2 H 21 4.197 3.919 0.278 1
1 248 . 24 1 1 A 21 21 GLY HA3 H 21 3.761 3.929 -0.168 1
1 249 . 24 1 1 A 21 21 GLY C C 21 173.027 174.184 -1.157 1
1 250 . 24 1 1 A 21 21 GLY CA C 21 44.357 45.495 -1.138 1
1 251 . 24 1 1 A 21 21 GLY N N 21 112.095 107.128 4.967 1
1 252 . 24 1 1 A 22 22 ARG H H 22 7.470 7.404 0.066 1
1 253 . 24 1 1 A 22 22 ARG HA H 22 3.956 4.517 -0.561 1
1 260 . 24 1 1 A 22 22 ARG C C 22 176.327 176.285 0.042 1
1 261 . 24 1 1 A 22 22 ARG CA C 22 58.189 55.133 3.056 1
1 262 . 24 1 1 A 22 22 ARG CB C 22 29.483 28.519 0.964 1
1 265 . 24 1 1 A 22 22 ARG N N 22 122.481 120.061 2.420 1
1 266 . 24 1 1 A 23 23 GLU H H 23 9.412 8.174 1.238 1
1 267 . 24 1 1 A 23 23 GLU HA H 23 4.626 3.918 0.708 1
1 272 . 24 1 1 A 23 23 GLU C C 23 175.027 176.883 -1.856 1
1 273 . 24 1 1 A 23 23 GLU CA C 23 53.319 60.216 -6.897 1
1 274 . 24 1 1 A 23 23 GLU CB C 23 32.032 29.760 2.272 1
1 276 . 24 1 1 A 23 23 GLU N N 23 116.123 122.051 -5.928 1
1 277 . 24 1 1 A 24 24 GLY H H 24 9.080 8.272 0.808 1
1 278 . 24 1 1 A 24 24 GLY HA2 H 24 3.694 3.827 -0.133 1
1 279 . 24 1 1 A 24 24 GLY HA3 H 24 3.878 3.835 0.043 1
1 280 . 24 1 1 A 24 24 GLY C C 24 172.827 174.254 -1.427 1
1 281 . 24 1 1 A 24 24 GLY CA C 24 44.707 46.988 -2.281 1
1 282 . 24 1 1 A 24 24 GLY N N 24 114.015 107.589 6.426 1
1 283 . 24 1 1 A 25 25 SER H H 25 8.465 8.466 -0.001 1
1 284 . 24 1 1 A 25 25 SER HA H 25 4.312 4.529 -0.217 1
1 287 . 24 1 1 A 25 25 SER C C 25 178.027 172.037 5.990 1
1 288 . 24 1 1 A 25 25 SER CA C 25 57.478 58.937 -1.459 1
1 289 . 24 1 1 A 25 25 SER CB C 25 61.941 62.217 -0.276 1
1 290 . 24 1 1 A 25 25 SER N N 25 117.299 114.605 2.694 1
1 291 . 24 1 1 A 26 26 LYS H H 26 9.532 8.578 0.954 1
1 292 . 24 1 1 A 26 26 LYS HA H 26 4.660 4.674 -0.014 1
1 301 . 24 1 1 A 26 26 LYS C C 26 176.127 176.167 -0.040 1
1 302 . 24 1 1 A 26 26 LYS CA C 26 56.928 55.497 1.431 1
1 303 . 24 1 1 A 26 26 LYS CB C 26 30.526 34.653 -4.127 1
1 307 . 24 1 1 A 26 26 LYS N N 26 131.209 127.244 3.965 1
1 308 . 24 1 1 A 27 27 LEU H H 27 8.643 8.661 -0.018 1
1 309 . 24 1 1 A 27 27 LEU HA H 27 4.583 4.547 0.036 1
1 319 . 24 1 1 A 27 27 LEU C C 27 174.827 176.077 -1.250 1
1 320 . 24 1 1 A 27 27 LEU CA C 27 53.205 56.515 -3.310 1
1 321 . 24 1 1 A 27 27 LEU CB C 27 41.824 40.349 1.475 1
1 325 . 24 1 1 A 27 27 LEU N N 27 118.729 125.755 -7.026 1
1 326 . 24 1 1 A 28 28 THR H H 28 7.037 7.809 -0.772 1
1 327 . 24 1 1 A 28 28 THR HA H 28 5.168 5.154 0.014 1
1 332 . 24 1 1 A 28 28 THR C C 28 172.727 173.443 -0.716 1
1 333 . 24 1 1 A 28 28 THR CA C 28 57.915 59.585 -1.670 1
1 334 . 24 1 1 A 28 28 THR CB C 28 71.934 71.815 0.119 1
1 336 . 24 1 1 A 28 28 THR N N 28 104.663 112.371 -7.708 1
1 337 . 24 1 1 A 29 29 LEU H H 29 9.517 9.104 0.413 1
1 338 . 24 1 1 A 29 29 LEU HA H 29 5.196 4.837 0.359 1
1 348 . 24 1 1 A 29 29 LEU C C 29 175.527 176.254 -0.727 1
1 349 . 24 1 1 A 29 29 LEU CA C 29 51.653 53.555 -1.902 1
1 350 . 24 1 1 A 29 29 LEU CB C 29 42.301 42.368 -0.067 1
1 354 . 24 1 1 A 29 29 LEU N N 29 125.388 123.843 1.545 1
1 355 . 24 1 1 A 30 30 SER H H 30 10.053 9.172 0.881 1
1 356 . 24 1 1 A 30 30 SER HA H 30 4.475 4.586 -0.111 1
1 359 . 24 1 1 A 30 30 SER C C 30 173.427 175.427 -2.000 1
1 360 . 24 1 1 A 30 30 SER CA C 30 55.011 58.491 -3.480 1
1 361 . 24 1 1 A 30 30 SER CB C 30 64.446 63.702 0.744 1
1 362 . 24 1 1 A 30 30 SER N N 30 121.114 120.933 0.181 1
1 363 . 24 1 1 A 31 31 ARG H H 31 8.992 8.673 0.319 1
1 364 . 24 1 1 A 31 31 ARG HA H 31 3.923 3.918 0.005 1
1 371 . 24 1 1 A 31 31 ARG C C 31 177.027 177.816 -0.789 1
1 372 . 24 1 1 A 31 31 ARG CA C 31 59.408 59.767 -0.359 1
1 373 . 24 1 1 A 31 31 ARG CB C 31 29.041 29.977 -0.936 1
1 376 . 24 1 1 A 31 31 ARG N N 31 120.513 126.304 -5.791 1
1 377 . 24 1 1 A 32 32 LYS H H 32 7.845 7.977 -0.132 1
1 378 . 24 1 1 A 32 32 LYS HA H 32 3.826 3.902 -0.076 1
1 387 . 24 1 1 A 32 32 LYS C C 32 178.927 178.952 -0.025 1
1 388 . 24 1 1 A 32 32 LYS CA C 32 58.677 59.629 -0.952 1
1 389 . 24 1 1 A 32 32 LYS CB C 32 31.964 32.496 -0.532 1
1 393 . 24 1 1 A 32 32 LYS N N 32 117.011 119.040 -2.029 1
1 394 . 24 1 1 A 33 33 GLU H H 33 7.612 8.190 -0.578 1
1 395 . 24 1 1 A 33 33 GLU HA H 33 3.954 3.975 -0.021 1
1 400 . 24 1 1 A 33 33 GLU C C 33 177.227 179.169 -1.942 1
1 401 . 24 1 1 A 33 33 GLU CA C 33 58.289 58.882 -0.593 1
1 402 . 24 1 1 A 33 33 GLU CB C 33 29.757 29.406 0.351 1
1 404 . 24 1 1 A 33 33 GLU N N 33 120.815 118.285 2.530 1
1 405 . 24 1 1 A 34 34 LEU H H 34 8.694 7.920 0.774 1
1 406 . 24 1 1 A 34 34 LEU HA H 34 3.811 3.911 -0.100 1
1 416 . 24 1 1 A 34 34 LEU C C 34 176.927 178.543 -1.616 1
1 417 . 24 1 1 A 34 34 LEU CA C 34 57.025 57.636 -0.611 1
1 418 . 24 1 1 A 34 34 LEU CB C 34 40.638 41.444 -0.806 1
1 422 . 24 1 1 A 34 34 LEU N N 34 119.291 121.078 -1.787 1
1 423 . 24 1 1 A 35 35 LYS H H 35 8.114 7.733 0.381 1
1 424 . 24 1 1 A 35 35 LYS HA H 35 3.569 3.811 -0.242 1
1 433 . 24 1 1 A 35 35 LYS C C 35 177.027 178.799 -1.772 1
1 434 . 24 1 1 A 35 35 LYS CA C 35 59.419 60.577 -1.158 1
1 435 . 24 1 1 A 35 35 LYS CB C 35 31.271 32.192 -0.921 1
1 439 . 24 1 1 A 35 35 LYS N N 35 117.277 118.672 -1.395 1
1 440 . 24 1 1 A 36 36 GLU H H 36 7.560 7.907 -0.347 1
1 441 . 24 1 1 A 36 36 GLU HA H 36 3.845 3.961 -0.116 1
1 446 . 24 1 1 A 36 36 GLU C C 36 175.827 178.313 -2.486 1
1 447 . 24 1 1 A 36 36 GLU CA C 36 58.190 59.022 -0.832 1
1 448 . 24 1 1 A 36 36 GLU CB C 36 28.253 29.542 -1.289 1
1 450 . 24 1 1 A 36 36 GLU N N 36 119.302 120.365 -1.063 1
1 451 . 24 1 1 A 37 37 LEU H H 37 7.682 7.775 -0.093 1
1 452 . 24 1 1 A 37 37 LEU HA H 37 2.280 2.741 -0.461 1
1 462 . 24 1 1 A 37 37 LEU C C 37 178.327 178.210 0.117 1
1 463 . 24 1 1 A 37 37 LEU CA C 37 58.225 57.728 0.497 1
1 464 . 24 1 1 A 37 37 LEU CB C 37 41.090 41.150 -0.060 1
1 468 . 24 1 1 A 37 37 LEU N N 37 121.690 120.097 1.593 1
1 469 . 24 1 1 A 38 38 ILE H H 38 8.157 7.832 0.325 1
1 470 . 24 1 1 A 38 38 ILE HA H 38 3.292 3.591 -0.299 1
1 480 . 24 1 1 A 38 38 ILE C C 38 177.027 178.731 -1.704 1
1 481 . 24 1 1 A 38 38 ILE CA C 38 65.007 65.563 -0.556 1
1 482 . 24 1 1 A 38 38 ILE CB C 38 37.187 37.674 -0.487 1
1 486 . 24 1 1 A 38 38 ILE N N 38 117.626 120.230 -2.604 1
1 487 . 24 1 1 A 39 39 LYS H H 39 8.068 7.678 0.390 1
1 488 . 24 1 1 A 39 39 LYS HA H 39 3.876 4.242 -0.366 1
1 497 . 24 1 1 A 39 39 LYS C C 39 177.927 177.374 0.553 1
1 498 . 24 1 1 A 39 39 LYS CA C 39 58.204 58.420 -0.216 1
1 499 . 24 1 1 A 39 39 LYS CB C 39 31.731 31.985 -0.254 1
1 503 . 24 1 1 A 39 39 LYS N N 39 117.909 119.317 -1.408 1
1 504 . 24 1 1 A 40 40 LYS H H 40 8.094 7.648 0.446 1
1 505 . 24 1 1 A 40 40 LYS HA H 40 4.248 4.331 -0.083 1
1 514 . 24 1 1 A 40 40 LYS C C 40 178.227 178.613 -0.386 1
1 515 . 24 1 1 A 40 40 LYS CA C 40 56.291 57.776 -1.485 1
1 516 . 24 1 1 A 40 40 LYS CB C 40 32.652 33.768 -1.116 1
1 520 . 24 1 1 A 40 40 LYS N N 40 114.323 118.011 -3.688 1
1 521 . 24 1 1 A 41 41 GLU H H 41 8.381 8.300 0.081 1
1 522 . 24 1 1 A 41 41 GLU HA H 41 4.744 4.219 0.525 1
1 527 . 24 1 1 A 41 41 GLU C C 41 176.227 178.680 -2.453 1
1 528 . 24 1 1 A 41 41 GLU CA C 41 55.054 58.788 -3.734 1
1 529 . 24 1 1 A 41 41 GLU CB C 41 29.598 30.267 -0.669 1
1 531 . 24 1 1 A 41 41 GLU N N 41 113.079 119.340 -6.261 1
1 532 . 24 1 1 A 42 42 LEU H H 42 7.544 8.056 -0.512 1
1 533 . 24 1 1 A 42 42 LEU HA H 42 4.754 4.226 0.528 1
1 542 . 24 1 1 A 42 42 LEU CA C 42 52.564 57.320 -4.756 1
1 543 . 24 1 1 A 42 42 LEU CB C 42 43.848 42.712 1.136 1
1 546 . 24 1 1 A 42 42 LEU N N 42 118.458 117.748 0.710 1
1 547 . 24 1 1 A 43 43 CYS H H 43 8.342 8.129 0.213 1
1 548 . 24 1 1 A 43 43 CYS HA H 43 4.486 4.613 -0.127 1
1 551 . 24 1 1 A 43 43 CYS C C 43 174.327 174.372 -0.045 1
1 552 . 24 1 1 A 43 43 CYS CA C 43 57.655 60.895 -3.240 1
1 553 . 24 1 1 A 43 43 CYS CB C 43 25.653 27.443 -1.790 1
1 554 . 24 1 1 A 44 44 LEU H H 44 8.123 7.796 0.327 1
1 555 . 24 1 1 A 44 44 LEU HA H 44 4.339 4.202 0.137 1
1 565 . 24 1 1 A 44 44 LEU C C 44 176.927 178.259 -1.332 1
1 566 . 24 1 1 A 44 44 LEU CA C 44 53.750 55.839 -2.089 1
1 567 . 24 1 1 A 44 44 LEU CB C 44 40.784 42.160 -1.376 1
1 571 . 24 1 1 A 44 44 LEU N N 44 121.974 124.815 -2.841 1
1 572 . 24 1 1 A 45 45 GLY H H 45 8.072 8.791 -0.719 1
1 573 . 24 1 1 A 45 45 GLY HA2 H 45 3.889 3.813 0.076 1
1 574 . 24 1 1 A 45 45 GLY HA3 H 45 3.698 3.845 -0.147 1
1 575 . 24 1 1 A 45 45 GLY C C 45 173.127 175.483 -2.356 1
1 576 . 24 1 1 A 45 45 GLY CA C 45 44.291 46.608 -2.317 1
1 577 . 24 1 1 A 45 45 GLY N N 45 107.819 113.060 -5.241 1
1 578 . 24 1 1 A 46 46 GLU H H 46 8.472 7.910 0.562 1
1 579 . 24 1 1 A 46 46 GLU HA H 46 4.048 4.069 -0.021 1
1 584 . 24 1 1 A 46 46 GLU C C 46 175.727 179.288 -3.561 1
1 585 . 24 1 1 A 46 46 GLU CA C 46 56.461 59.172 -2.711 1
1 586 . 24 1 1 A 46 46 GLU CB C 46 28.208 29.285 -1.077 1
1 588 . 24 1 1 A 46 46 GLU N N 46 120.563 121.082 -0.519 1
1 589 . 24 1 1 A 47 47 MET H H 47 8.189 7.794 0.395 1
1 590 . 24 1 1 A 47 47 MET HA H 47 4.413 4.298 0.115 1
1 598 . 24 1 1 A 47 47 MET C C 47 175.027 175.939 -0.912 1
1 599 . 24 1 1 A 47 47 MET CA C 47 53.905 58.225 -4.320 1
1 600 . 24 1 1 A 47 47 MET CB C 47 32.611 33.206 -0.595 1
1 603 . 24 1 1 A 47 47 MET N N 47 123.201 119.640 3.561 1
1 604 . 24 1 1 A 48 48 LYS H H 48 8.355 8.033 0.322 1
1 605 . 24 1 1 A 48 48 LYS HA H 48 4.237 4.103 0.134 1
1 614 . 24 1 1 A 48 48 LYS C C 48 177.027 176.601 0.426 1
1 615 . 24 1 1 A 48 48 LYS CA C 48 55.443 56.969 -1.526 1
1 616 . 24 1 1 A 48 48 LYS CB C 48 32.173 31.214 0.959 1
1 620 . 24 1 1 A 48 48 LYS N N 48 123.046 117.492 5.554 1
1 621 . 24 1 1 A 49 49 GLU H H 49 8.742 8.494 0.248 1
1 622 . 24 1 1 A 49 49 GLU HA H 49 3.884 4.014 -0.130 1
1 627 . 24 1 1 A 49 49 GLU C C 49 177.727 178.354 -0.627 1
1 628 . 24 1 1 A 49 49 GLU CA C 49 58.534 59.847 -1.313 1
1 629 . 24 1 1 A 49 49 GLU CB C 49 27.870 29.407 -1.537 1
1 631 . 24 1 1 A 49 49 GLU N N 49 122.407 124.112 -1.705 1
1 632 . 24 1 1 A 50 50 SER H H 50 8.324 8.057 0.267 1
1 633 . 24 1 1 A 50 50 SER HA H 50 4.188 4.235 -0.047 1
1 636 . 24 1 1 A 50 50 SER C C 50 175.427 176.572 -1.145 1
1 637 . 24 1 1 A 50 50 SER CA C 50 59.402 60.874 -1.472 1
1 638 . 24 1 1 A 50 50 SER CB C 50 61.442 62.906 -1.464 1
1 639 . 24 1 1 A 50 50 SER N N 50 112.475 115.489 -3.014 1
1 640 . 24 1 1 A 51 51 SER H H 51 7.400 8.128 -0.728 1
1 641 . 24 1 1 A 51 51 SER HA H 51 3.926 4.343 -0.417 1
1 644 . 24 1 1 A 51 51 SER C C 51 176.027 176.211 -0.184 1
1 645 . 24 1 1 A 51 51 SER CA C 51 59.762 60.731 -0.969 1
1 646 . 24 1 1 A 51 51 SER CB C 51 60.955 62.921 -1.966 1
1 647 . 24 1 1 A 51 51 SER N N 51 118.432 114.450 3.982 1
1 648 . 24 1 1 A 52 52 ILE H H 52 7.790 7.792 -0.002 1
1 649 . 24 1 1 A 52 52 ILE HA H 52 3.642 3.691 -0.049 1
1 659 . 24 1 1 A 52 52 ILE C C 52 176.427 177.871 -1.444 1
1 660 . 24 1 1 A 52 52 ILE CA C 52 61.984 64.489 -2.505 1
1 661 . 24 1 1 A 52 52 ILE CB C 52 34.990 36.556 -1.566 1
1 665 . 24 1 1 A 52 52 ILE N N 52 123.838 121.113 2.725 1
1 666 . 24 1 1 A 53 53 ASP H H 53 8.092 8.354 -0.262 1
1 667 . 24 1 1 A 53 53 ASP HA H 53 4.225 4.349 -0.124 1
1 670 . 24 1 1 A 53 53 ASP C C 53 178.227 178.300 -0.073 1
1 671 . 24 1 1 A 53 53 ASP CA C 53 56.606 57.259 -0.653 1
1 672 . 24 1 1 A 53 53 ASP CB C 53 39.034 41.666 -2.632 1
1 673 . 24 1 1 A 53 53 ASP N N 53 121.313 122.451 -1.138 1
1 674 . 24 1 1 A 54 54 ASP H H 54 7.811 7.851 -0.040 1
1 675 . 24 1 1 A 54 54 ASP HA H 54 4.253 4.395 -0.142 1
1 678 . 24 1 1 A 54 54 ASP C C 54 177.927 178.354 -0.427 1
1 679 . 24 1 1 A 54 54 ASP CA C 54 56.467 56.714 -0.247 1
1 680 . 24 1 1 A 54 54 ASP CB C 54 39.401 41.016 -1.615 1
1 681 . 24 1 1 A 54 54 ASP N N 54 120.122 119.904 0.218 1
1 682 . 24 1 1 A 55 55 LEU H H 55 7.789 7.825 -0.036 1
1 683 . 24 1 1 A 55 55 LEU HA H 55 3.979 4.090 -0.111 1
1 693 . 24 1 1 A 55 55 LEU C C 55 178.027 178.309 -0.282 1
1 694 . 24 1 1 A 55 55 LEU CA C 55 56.713 58.018 -1.305 1
1 695 . 24 1 1 A 55 55 LEU CB C 55 40.799 41.614 -0.815 1
1 699 . 24 1 1 A 55 55 LEU N N 55 122.944 120.527 2.417 1
1 700 . 24 1 1 A 56 56 MET H H 56 8.601 8.753 -0.152 1
1 701 . 24 1 1 A 56 56 MET HA H 56 3.827 4.059 -0.232 1
1 709 . 24 1 1 A 56 56 MET C C 56 177.027 177.758 -0.731 1
1 710 . 24 1 1 A 56 56 MET CA C 56 57.116 58.513 -1.397 1
1 711 . 24 1 1 A 56 56 MET CB C 56 29.825 32.739 -2.914 1
1 714 . 24 1 1 A 56 56 MET N N 56 117.863 117.693 0.170 1
1 715 . 24 1 1 A 57 57 LYS H H 57 7.693 7.713 -0.020 1
1 716 . 24 1 1 A 57 57 LYS HA H 57 3.954 4.038 -0.084 1
1 725 . 24 1 1 A 57 57 LYS C C 57 178.127 179.047 -0.920 1
1 726 . 24 1 1 A 57 57 LYS CA C 57 58.352 59.312 -0.960 1
1 727 . 24 1 1 A 57 57 LYS CB C 57 31.315 32.146 -0.831 1
1 731 . 24 1 1 A 57 57 LYS N N 57 116.455 121.127 -4.672 1
1 732 . 24 1 1 A 58 58 SER H H 58 7.661 7.950 -0.289 1
1 733 . 24 1 1 A 58 58 SER HA H 58 4.115 4.290 -0.175 1
1 736 . 24 1 1 A 58 58 SER C C 58 174.827 176.761 -1.934 1
1 737 . 24 1 1 A 58 58 SER CA C 58 59.986 60.538 -0.552 1
1 738 . 24 1 1 A 58 58 SER CB C 58 62.464 63.332 -0.868 1
1 739 . 24 1 1 A 58 58 SER N N 58 113.020 114.619 -1.599 1
1 740 . 24 1 1 A 59 59 LEU H H 59 7.917 7.371 0.546 1
1 741 . 24 1 1 A 59 59 LEU HA H 59 4.269 4.322 -0.053 1
1 751 . 24 1 1 A 59 59 LEU C C 59 177.627 177.016 0.611 1
1 752 . 24 1 1 A 59 59 LEU CA C 59 54.402 56.605 -2.203 1
1 753 . 24 1 1 A 59 59 LEU CB C 59 43.731 42.756 0.975 1
1 757 . 24 1 1 A 59 59 LEU N N 59 117.463 118.952 -1.489 1
1 758 . 24 1 1 A 60 60 ASP H H 60 8.025 7.910 0.115 1
1 759 . 24 1 1 A 60 60 ASP HA H 60 4.566 4.817 -0.251 1
1 762 . 24 1 1 A 60 60 ASP C C 60 176.627 176.679 -0.052 1
1 763 . 24 1 1 A 60 60 ASP CA C 60 52.335 53.198 -0.863 1
1 764 . 24 1 1 A 60 60 ASP CB C 60 38.139 41.763 -3.624 1
1 765 . 24 1 1 A 60 60 ASP N N 60 117.588 119.640 -2.052 1
1 766 . 24 1 1 A 61 61 LYS H H 61 8.100 8.709 -0.609 1
1 767 . 24 1 1 A 61 61 LYS HA H 61 4.035 4.242 -0.207 1
1 776 . 24 1 1 A 61 61 LYS C C 61 176.727 177.651 -0.924 1
1 777 . 24 1 1 A 61 61 LYS CA C 61 56.887 58.071 -1.184 1
1 778 . 24 1 1 A 61 61 LYS CB C 61 31.653 32.599 -0.946 1
1 782 . 24 1 1 A 61 61 LYS N N 61 126.943 126.287 0.656 1
1 783 . 24 1 1 A 62 62 ASN H H 62 7.864 7.805 0.059 1
1 784 . 24 1 1 A 62 62 ASN HA H 62 4.759 4.811 -0.052 1
1 789 . 24 1 1 A 62 62 ASN C C 62 173.727 175.187 -1.460 1
1 790 . 24 1 1 A 62 62 ASN CA C 62 50.660 51.858 -1.198 1
1 791 . 24 1 1 A 62 62 ASN CB C 62 35.920 39.910 -3.990 1
1 792 . 24 1 1 A 62 62 ASN N N 62 113.588 113.513 0.075 1
1 794 . 24 1 1 A 63 63 SER H H 63 7.613 8.317 -0.704 1
1 795 . 24 1 1 A 63 63 SER HA H 63 3.962 4.253 -0.291 1
1 798 . 24 1 1 A 63 63 SER C C 63 172.927 174.302 -1.375 1
1 799 . 24 1 1 A 63 63 SER CA C 63 58.262 59.184 -0.922 1
1 800 . 24 1 1 A 63 63 SER CB C 63 60.708 61.235 -0.527 1
1 801 . 24 1 1 A 63 63 SER N N 63 111.592 111.374 0.218 1
1 802 . 24 1 1 A 64 64 ASP H H 64 8.217 8.387 -0.170 1
1 803 . 24 1 1 A 64 64 ASP HA H 64 4.653 4.540 0.113 1
1 806 . 24 1 1 A 64 64 ASP C C 64 175.927 176.290 -0.363 1
1 807 . 24 1 1 A 64 64 ASP CA C 64 51.641 55.053 -3.412 1
1 808 . 24 1 1 A 64 64 ASP CB C 64 39.385 41.513 -2.128 1
1 809 . 24 1 1 A 64 64 ASP N N 64 118.913 119.200 -0.287 1
1 810 . 24 1 1 A 65 65 GLN H H 65 10.239 8.144 2.095 1
1 811 . 24 1 1 A 65 65 GLN HA H 65 3.356 4.391 -1.035 1
1 818 . 24 1 1 A 65 65 GLN C C 65 172.627 174.684 -2.057 1
1 819 . 24 1 1 A 65 65 GLN CA C 65 56.325 56.948 -0.623 1
1 820 . 24 1 1 A 65 65 GLN CB C 65 24.910 26.915 -2.005 1
1 822 . 24 1 1 A 65 65 GLN N N 65 114.908 119.645 -4.737 1
1 824 . 24 1 1 A 66 66 GLU H H 66 7.710 7.900 -0.190 1
1 825 . 24 1 1 A 66 66 GLU HA H 66 4.691 5.112 -0.421 1
1 830 . 24 1 1 A 66 66 GLU C C 66 174.127 174.768 -0.641 1
1 831 . 24 1 1 A 66 66 GLU CA C 66 52.987 54.715 -1.728 1
1 832 . 24 1 1 A 66 66 GLU CB C 66 32.433 32.548 -0.115 1
1 834 . 24 1 1 A 66 66 GLU N N 66 115.721 116.761 -1.040 1
1 835 . 24 1 1 A 67 67 ILE H H 67 9.938 9.296 0.642 1
1 836 . 24 1 1 A 67 67 ILE HA H 67 5.291 4.703 0.588 1
1 846 . 24 1 1 A 67 67 ILE C C 67 175.627 175.377 0.250 1
1 847 . 24 1 1 A 67 67 ILE CA C 67 56.241 60.730 -4.489 1
1 848 . 24 1 1 A 67 67 ILE CB C 67 35.492 37.719 -2.227 1
1 852 . 24 1 1 A 67 67 ILE N N 67 125.901 125.234 0.667 1
1 853 . 24 1 1 A 68 68 ASP H H 68 8.794 9.053 -0.259 1
1 854 . 24 1 1 A 68 68 ASP HA H 68 5.002 4.751 0.251 1
1 857 . 24 1 1 A 68 68 ASP C C 68 174.427 177.536 -3.109 1
1 858 . 24 1 1 A 68 68 ASP CA C 68 51.563 54.201 -2.638 1
1 859 . 24 1 1 A 68 68 ASP CB C 68 40.493 42.676 -2.183 1
1 860 . 24 1 1 A 68 68 ASP N N 68 127.844 128.352 -0.508 1
1 861 . 24 1 1 A 69 69 PHE H H 69 9.068 9.255 -0.187 1
1 862 . 24 1 1 A 69 69 PHE HA H 69 3.130 4.208 -1.078 1
1 869 . 24 1 1 A 69 69 PHE C C 69 176.827 177.563 -0.736 1
1 870 . 24 1 1 A 69 69 PHE CA C 69 62.478 62.379 0.099 1
1 871 . 24 1 1 A 69 69 PHE CB C 69 38.096 39.654 -1.558 1
1 872 . 24 1 1 A 69 69 PHE N N 69 118.955 126.333 -7.378 1
1 873 . 24 1 1 A 70 70 LYS H H 70 8.123 8.150 -0.027 1
1 874 . 24 1 1 A 70 70 LYS HA H 70 3.871 4.295 -0.424 1
1 883 . 24 1 1 A 70 70 LYS C C 70 179.527 179.836 -0.309 1
1 884 . 24 1 1 A 70 70 LYS CA C 70 59.457 58.890 0.567 1
1 885 . 24 1 1 A 70 70 LYS CB C 70 30.772 32.547 -1.775 1
1 889 . 24 1 1 A 70 70 LYS N N 70 120.287 117.610 2.677 1
1 890 . 24 1 1 A 71 71 GLU H H 71 8.746 7.931 0.815 1
1 891 . 24 1 1 A 71 71 GLU HA H 71 4.099 4.179 -0.080 1
1 896 . 24 1 1 A 71 71 GLU C C 71 179.127 178.826 0.301 1
1 897 . 24 1 1 A 71 71 GLU CA C 71 57.934 59.060 -1.126 1
1 898 . 24 1 1 A 71 71 GLU CB C 71 29.266 29.734 -0.468 1
1 900 . 24 1 1 A 71 71 GLU N N 71 122.207 119.920 2.287 1
1 901 . 24 1 1 A 72 72 TYR H H 72 8.879 8.667 0.212 1
1 902 . 24 1 1 A 72 72 TYR HA H 72 4.010 4.264 -0.254 1
1 909 . 24 1 1 A 72 72 TYR C C 72 175.927 177.582 -1.655 1
1 910 . 24 1 1 A 72 72 TYR CA C 72 58.551 61.743 -3.192 1
1 911 . 24 1 1 A 72 72 TYR CB C 72 38.072 38.619 -0.547 1
1 912 . 24 1 1 A 72 72 TYR N N 72 121.813 122.342 -0.529 1
1 913 . 24 1 1 A 73 73 SER H H 73 8.414 8.354 0.060 1
1 914 . 24 1 1 A 73 73 SER HA H 73 3.462 4.142 -0.680 1
1 917 . 24 1 1 A 73 73 SER C C 73 175.127 176.071 -0.944 1
1 918 . 24 1 1 A 73 73 SER CA C 73 61.876 61.997 -0.121 1
1 919 . 24 1 1 A 73 73 SER CB C 73 61.327 63.070 -1.743 1
1 920 . 24 1 1 A 73 73 SER N N 73 117.840 116.232 1.608 1
1 921 . 24 1 1 A 74 74 VAL H H 74 7.363 8.318 -0.955 1
1 922 . 24 1 1 A 74 74 VAL HA H 74 3.584 3.632 -0.048 1
1 930 . 24 1 1 A 74 74 VAL C C 74 178.027 178.268 -0.241 1
1 931 . 24 1 1 A 74 74 VAL CA C 74 65.397 66.287 -0.890 1
1 932 . 24 1 1 A 74 74 VAL CB C 74 30.300 31.574 -1.274 1
1 935 . 24 1 1 A 74 74 VAL N N 74 123.439 121.830 1.609 1
1 936 . 24 1 1 A 75 75 PHE H H 75 7.282 8.087 -0.805 1
1 937 . 24 1 1 A 75 75 PHE HA H 75 4.562 4.179 0.383 1
1 945 . 24 1 1 A 75 75 PHE C C 75 176.127 176.876 -0.749 1
1 946 . 24 1 1 A 75 75 PHE CA C 75 57.851 61.177 -3.326 1
1 947 . 24 1 1 A 75 75 PHE CB C 75 36.863 39.182 -2.319 1
1 948 . 24 1 1 A 75 75 PHE N N 75 122.766 120.664 2.102 1
1 949 . 24 1 1 A 76 76 LEU H H 76 7.823 8.017 -0.194 1
1 950 . 24 1 1 A 76 76 LEU HA H 76 3.445 3.638 -0.193 1
1 960 . 24 1 1 A 76 76 LEU C C 76 178.927 179.351 -0.424 1
1 961 . 24 1 1 A 76 76 LEU CA C 76 56.891 57.730 -0.839 1
1 962 . 24 1 1 A 76 76 LEU CB C 76 39.917 41.204 -1.287 1
1 966 . 24 1 1 A 76 76 LEU N N 76 115.619 119.140 -3.521 1
1 967 . 24 1 1 A 77 77 THR H H 77 7.858 8.351 -0.493 1
1 968 . 24 1 1 A 77 77 THR HA H 77 3.665 3.781 -0.116 1
1 974 . 24 1 1 A 77 77 THR C C 77 175.427 175.840 -0.413 1
1 975 . 24 1 1 A 77 77 THR CA C 77 66.127 66.603 -0.476 1
1 976 . 24 1 1 A 77 77 THR CB C 77 67.585 68.401 -0.816 1
1 978 . 24 1 1 A 77 77 THR N N 77 113.417 116.247 -2.830 1
1 979 . 24 1 1 A 78 78 MET H H 78 7.970 8.369 -0.399 1
1 980 . 24 1 1 A 78 78 MET HA H 78 3.935 4.127 -0.192 1
1 988 . 24 1 1 A 78 78 MET C C 78 179.127 178.252 0.875 1
1 989 . 24 1 1 A 78 78 MET CA C 78 58.780 58.221 0.559 1
1 990 . 24 1 1 A 78 78 MET CB C 78 31.501 32.185 -0.684 1
1 993 . 24 1 1 A 78 78 MET N N 78 122.745 119.931 2.814 1
1 994 . 24 1 1 A 79 79 LEU H H 79 7.898 8.148 -0.250 1
1 995 . 24 1 1 A 79 79 LEU HA H 79 3.870 3.891 -0.021 1
1 1005 . 24 1 1 A 79 79 LEU C C 79 178.427 178.711 -0.284 1
1 1006 . 24 1 1 A 79 79 LEU CA C 79 56.843 57.816 -0.973 1
1 1007 . 24 1 1 A 79 79 LEU CB C 79 41.099 41.331 -0.232 1
1 1011 . 24 1 1 A 79 79 LEU N N 79 120.989 119.522 1.467 1
1 1012 . 24 1 1 A 80 80 CYS H H 80 8.400 8.199 0.201 1
1 1013 . 24 1 1 A 80 80 CYS HA H 80 3.830 4.317 -0.487 1
1 1017 . 24 1 1 A 80 80 CYS C C 80 175.927 177.319 -1.392 1
1 1018 . 24 1 1 A 80 80 CYS CA C 80 64.044 62.774 1.270 1
1 1019 . 24 1 1 A 80 80 CYS CB C 80 25.626 27.355 -1.729 1
1 1020 . 24 1 1 A 80 80 CYS N N 80 117.746 118.275 -0.529 1
1 1021 . 24 1 1 A 81 81 MET H H 81 8.295 8.342 -0.047 1
1 1022 . 24 1 1 A 81 81 MET HA H 81 4.023 4.200 -0.177 1
1 1030 . 24 1 1 A 81 81 MET C C 81 177.327 178.200 -0.873 1
1 1031 . 24 1 1 A 81 81 MET CA C 81 57.601 58.892 -1.291 1
1 1032 . 24 1 1 A 81 81 MET CB C 81 30.668 32.458 -1.790 1
1 1035 . 24 1 1 A 81 81 MET N N 81 117.598 119.036 -1.438 1
1 1036 . 24 1 1 A 82 82 ALA H H 82 7.624 7.871 -0.247 1
1 1037 . 24 1 1 A 82 82 ALA HA H 82 4.061 4.039 0.022 1
1 1041 . 24 1 1 A 82 82 ALA C C 82 179.627 179.545 0.082 1
1 1042 . 24 1 1 A 82 82 ALA CA C 82 53.856 55.274 -1.418 1
1 1043 . 24 1 1 A 82 82 ALA CB C 82 16.794 18.475 -1.681 1
1 1044 . 24 1 1 A 82 82 ALA N N 82 121.886 121.653 0.233 1
1 1045 . 24 1 1 A 83 83 TYR H H 83 8.476 7.984 0.492 1
1 1046 . 24 1 1 A 83 83 TYR HA H 83 4.147 4.424 -0.277 1
1 1053 . 24 1 1 A 83 83 TYR C C 83 178.127 178.299 -0.172 1
1 1054 . 24 1 1 A 83 83 TYR CA C 83 60.066 61.355 -1.289 1
1 1055 . 24 1 1 A 83 83 TYR CB C 83 36.546 37.527 -0.981 1
1 1056 . 24 1 1 A 83 83 TYR N N 83 119.136 116.463 2.673 1
1 1057 . 24 1 1 A 84 84 ASN H H 84 8.386 8.109 0.277 1
1 1058 . 24 1 1 A 84 84 ASN HA H 84 4.221 4.490 -0.269 1
1 1063 . 24 1 1 A 84 84 ASN C C 84 175.427 177.420 -1.993 1
1 1064 . 24 1 1 A 84 84 ASN CA C 84 56.123 56.723 -0.600 1
1 1065 . 24 1 1 A 84 84 ASN CB C 84 37.387 38.854 -1.467 1
1 1066 . 24 1 1 A 84 84 ASN N N 84 120.692 119.902 0.790 1
1 1068 . 24 1 1 A 85 85 ASP H H 85 7.611 7.711 -0.100 1
1 1069 . 24 1 1 A 85 85 ASP HA H 85 4.234 4.459 -0.225 1
1 1072 . 24 1 1 A 85 85 ASP C C 85 178.227 178.502 -0.275 1
1 1073 . 24 1 1 A 85 85 ASP CA C 85 56.752 57.404 -0.652 1
1 1074 . 24 1 1 A 85 85 ASP CB C 85 38.688 40.846 -2.158 1
1 1075 . 24 1 1 A 85 85 ASP N N 85 118.378 119.566 -1.188 1
1 1076 . 24 1 1 A 86 86 PHE H H 86 7.538 8.258 -0.720 1
1 1077 . 24 1 1 A 86 86 PHE HA H 86 4.291 4.227 0.064 1
1 1084 . 24 1 1 A 86 86 PHE C C 86 176.627 177.882 -1.255 1
1 1085 . 24 1 1 A 86 86 PHE CA C 86 58.743 61.777 -3.034 1
1 1086 . 24 1 1 A 86 86 PHE CB C 86 37.488 39.772 -2.284 1
1 1087 . 24 1 1 A 86 86 PHE N N 86 118.712 120.910 -2.198 1
1 1088 . 24 1 1 A 87 87 PHE H H 87 8.132 8.279 -0.147 1
1 1089 . 24 1 1 A 87 87 PHE HA H 87 3.906 4.265 -0.359 1
1 1096 . 24 1 1 A 87 87 PHE C C 87 176.627 177.062 -0.435 1
1 1097 . 24 1 1 A 87 87 PHE CA C 87 59.554 61.593 -2.039 1
1 1098 . 24 1 1 A 87 87 PHE CB C 87 38.017 39.632 -1.615 1
1 1099 . 24 1 1 A 87 87 PHE N N 87 121.649 119.305 2.344 1
1 1100 . 24 1 1 A 88 88 LEU H H 88 7.953 7.851 0.102 1
1 1101 . 24 1 1 A 88 88 LEU HA H 88 3.775 4.007 -0.232 1
1 1111 . 24 1 1 A 88 88 LEU C C 88 177.627 179.023 -1.396 1
1 1112 . 24 1 1 A 88 88 LEU CA C 88 55.078 57.334 -2.256 1
1 1113 . 24 1 1 A 88 88 LEU CB C 88 41.226 41.599 -0.373 1
1 1117 . 24 1 1 A 88 88 LEU N N 88 118.897 119.080 -0.183 1
1 1118 . 24 1 1 A 89 89 GLU H H 89 7.475 8.200 -0.725 1
1 1119 . 24 1 1 A 89 89 GLU HA H 89 3.914 4.185 -0.271 1
1 1124 . 24 1 1 A 89 89 GLU C C 89 176.127 178.660 -2.533 1
1 1125 . 24 1 1 A 89 89 GLU CA C 89 56.926 58.909 -1.983 1
1 1126 . 24 1 1 A 89 89 GLU CB C 89 28.567 30.273 -1.706 1
1 1128 . 24 1 1 A 89 89 GLU N N 89 119.332 120.310 -0.978 1
1 1129 . 24 1 1 A 90 90 ASP H H 90 7.750 8.290 -0.540 1
1 1130 . 24 1 1 A 90 90 ASP HA H 90 4.370 4.411 -0.041 1
1 1133 . 24 1 1 A 90 90 ASP C C 90 175.227 177.919 -2.692 1
1 1134 . 24 1 1 A 90 90 ASP CA C 90 53.593 56.600 -3.007 1
1 1135 . 24 1 1 A 90 90 ASP CB C 90 40.323 40.325 -0.002 1
1 1136 . 24 1 1 A 90 90 ASP N N 90 118.945 119.682 -0.737 1
1 1137 . 24 1 1 A 91 91 ASN H H 91 7.681 7.888 -0.207 1
1 1138 . 24 1 1 A 91 91 ASN HA H 91 4.495 4.550 -0.055 1
1 1143 . 24 1 1 A 91 91 ASN C C 91 173.027 174.957 -1.930 1
1 1144 . 24 1 1 A 91 91 ASN CA C 91 52.041 54.288 -2.247 1
1 1145 . 24 1 1 A 91 91 ASN CB C 91 38.072 38.543 -0.471 1
1 1146 . 24 1 1 A 91 91 ASN N N 91 118.171 115.225 2.946 1
1 10 . 25 1 1 A 2 2 GLU H H 2 8.776 8.457 0.319 1
1 11 . 25 1 1 A 2 2 GLU HA H 2 4.535 4.435 0.100 1
1 16 . 25 1 1 A 2 2 GLU C C 2 175.627 176.350 -0.723 1
1 17 . 25 1 1 A 2 2 GLU CA C 2 55.573 55.840 -0.267 1
1 18 . 25 1 1 A 2 2 GLU CB C 2 30.569 30.817 -0.248 1
1 20 . 25 1 1 A 2 2 GLU N N 2 124.305 119.693 4.612 1
1 21 . 25 1 1 A 3 3 THR H H 3 8.835 8.359 0.476 1
1 22 . 25 1 1 A 3 3 THR HA H 3 4.608 4.391 0.217 1
1 27 . 25 1 1 A 3 3 THR CA C 3 59.187 59.946 -0.759 1
1 28 . 25 1 1 A 3 3 THR CB C 3 67.385 69.241 -1.856 1
1 30 . 25 1 1 A 3 3 THR N N 3 116.176 115.954 0.222 1
1 31 . 25 1 1 A 4 4 PRO HA H 4 4.158 4.470 -0.312 1
1 38 . 25 1 1 A 4 4 PRO C C 4 179.327 177.981 1.346 1
1 39 . 25 1 1 A 4 4 PRO CA C 4 65.040 64.581 0.459 1
1 40 . 25 1 1 A 4 4 PRO CB C 4 30.616 31.784 -1.168 1
1 43 . 25 1 1 A 5 5 LEU H H 5 8.794 7.544 1.250 1
1 44 . 25 1 1 A 5 5 LEU HA H 5 3.944 4.032 -0.088 1
1 54 . 25 1 1 A 5 5 LEU C C 5 177.327 178.217 -0.890 1
1 55 . 25 1 1 A 5 5 LEU CA C 5 56.920 57.254 -0.334 1
1 56 . 25 1 1 A 5 5 LEU CB C 5 41.139 42.177 -1.038 1
1 60 . 25 1 1 A 5 5 LEU N N 5 118.892 118.288 0.604 1
1 61 . 25 1 1 A 6 6 GLU H H 6 7.664 8.039 -0.375 1
1 62 . 25 1 1 A 6 6 GLU HA H 6 3.744 3.852 -0.108 1
1 67 . 25 1 1 A 6 6 GLU C C 6 178.827 179.210 -0.383 1
1 68 . 25 1 1 A 6 6 GLU CA C 6 59.347 60.056 -0.709 1
1 69 . 25 1 1 A 6 6 GLU CB C 6 28.700 29.249 -0.549 1
1 71 . 25 1 1 A 6 6 GLU N N 6 118.741 119.555 -0.814 1
1 72 . 25 1 1 A 7 7 LYS H H 7 8.435 7.698 0.737 1
1 73 . 25 1 1 A 7 7 LYS HA H 7 3.909 4.053 -0.144 1
1 82 . 25 1 1 A 7 7 LYS C C 7 178.527 178.900 -0.373 1
1 83 . 25 1 1 A 7 7 LYS CA C 7 58.539 58.922 -0.383 1
1 84 . 25 1 1 A 7 7 LYS CB C 7 31.217 32.060 -0.843 1
1 88 . 25 1 1 A 7 7 LYS N N 7 119.285 119.209 0.076 1
1 89 . 25 1 1 A 8 8 ALA H H 8 8.008 7.708 0.300 1
1 90 . 25 1 1 A 8 8 ALA HA H 8 4.038 4.026 0.012 1
1 94 . 25 1 1 A 8 8 ALA C C 8 178.327 179.951 -1.624 1
1 95 . 25 1 1 A 8 8 ALA CA C 8 54.356 54.966 -0.610 1
1 96 . 25 1 1 A 8 8 ALA CB C 8 17.509 18.430 -0.921 1
1 97 . 25 1 1 A 8 8 ALA N N 8 123.866 122.657 1.209 1
1 98 . 25 1 1 A 9 9 LEU H H 9 8.163 8.450 -0.287 1
1 99 . 25 1 1 A 9 9 LEU HA H 9 3.809 3.965 -0.156 1
1 109 . 25 1 1 A 9 9 LEU C C 9 178.527 179.198 -0.671 1
1 110 . 25 1 1 A 9 9 LEU CA C 9 57.256 58.050 -0.794 1
1 111 . 25 1 1 A 9 9 LEU CB C 9 40.483 41.693 -1.210 1
1 115 . 25 1 1 A 9 9 LEU N N 9 119.134 118.535 0.599 1
1 116 . 25 1 1 A 10 10 THR H H 10 8.186 8.487 -0.301 1
1 117 . 25 1 1 A 10 10 THR HA H 10 3.741 3.941 -0.200 1
1 122 . 25 1 1 A 10 10 THR C C 10 176.727 176.429 0.298 1
1 123 . 25 1 1 A 10 10 THR CA C 10 66.345 66.700 -0.355 1
1 124 . 25 1 1 A 10 10 THR CB C 10 67.558 68.817 -1.259 1
1 126 . 25 1 1 A 10 10 THR N N 10 114.355 116.046 -1.691 1
1 127 . 25 1 1 A 11 11 THR H H 11 8.387 8.233 0.154 1
1 128 . 25 1 1 A 11 11 THR HA H 11 3.963 3.890 0.073 1
1 133 . 25 1 1 A 11 11 THR C C 11 176.827 175.829 0.998 1
1 134 . 25 1 1 A 11 11 THR CA C 11 65.801 66.844 -1.043 1
1 135 . 25 1 1 A 11 11 THR CB C 11 67.140 67.925 -0.785 1
1 137 . 25 1 1 A 11 11 THR N N 11 120.801 116.627 4.174 1
1 138 . 25 1 1 A 12 12 MET H H 12 8.299 8.650 -0.351 1
1 139 . 25 1 1 A 12 12 MET HA H 12 3.872 4.158 -0.286 1
1 147 . 25 1 1 A 12 12 MET C C 12 177.827 178.309 -0.482 1
1 148 . 25 1 1 A 12 12 MET CA C 12 59.263 58.815 0.448 1
1 149 . 25 1 1 A 12 12 MET CB C 12 31.845 31.990 -0.145 1
1 152 . 25 1 1 A 12 12 MET N N 12 124.102 120.185 3.917 1
1 153 . 25 1 1 A 13 13 VAL H H 13 7.820 8.599 -0.779 1
1 154 . 25 1 1 A 13 13 VAL HA H 13 3.937 4.152 -0.215 1
1 162 . 25 1 1 A 13 13 VAL C C 13 177.127 177.597 -0.470 1
1 163 . 25 1 1 A 13 13 VAL CA C 13 65.677 65.067 0.610 1
1 164 . 25 1 1 A 13 13 VAL CB C 13 31.656 31.650 0.006 1
1 167 . 25 1 1 A 13 13 VAL N N 13 119.838 119.047 0.791 1
1 168 . 25 1 1 A 14 14 THR H H 14 9.107 8.394 0.713 1
1 169 . 25 1 1 A 14 14 THR HA H 14 3.654 3.923 -0.269 1
1 174 . 25 1 1 A 14 14 THR C C 14 177.527 176.847 0.680 1
1 175 . 25 1 1 A 14 14 THR CA C 14 65.273 66.403 -1.130 1
1 176 . 25 1 1 A 14 14 THR CB C 14 67.652 68.626 -0.974 1
1 178 . 25 1 1 A 14 14 THR N N 14 112.247 116.460 -4.213 1
1 179 . 25 1 1 A 15 15 THR H H 15 8.189 8.069 0.120 1
1 180 . 25 1 1 A 15 15 THR HA H 15 3.864 3.910 -0.046 1
1 186 . 25 1 1 A 15 15 THR C C 15 173.627 176.600 -2.973 1
1 187 . 25 1 1 A 15 15 THR CA C 15 66.930 65.401 1.529 1
1 188 . 25 1 1 A 15 15 THR CB C 15 66.539 68.573 -2.034 1
1 190 . 25 1 1 A 15 15 THR N N 15 117.691 113.758 3.933 1
1 191 . 25 1 1 A 16 16 PHE H H 16 6.850 8.440 -1.590 1
1 192 . 25 1 1 A 16 16 PHE HA H 16 3.417 4.202 -0.785 1
1 199 . 25 1 1 A 16 16 PHE C C 16 175.627 177.535 -1.908 1
1 200 . 25 1 1 A 16 16 PHE CA C 16 61.577 61.564 0.013 1
1 201 . 25 1 1 A 16 16 PHE CB C 16 38.177 39.158 -0.981 1
1 202 . 25 1 1 A 16 16 PHE N N 16 120.169 122.513 -2.344 1
1 203 . 25 1 1 A 17 17 HIS H H 17 6.924 8.436 -1.512 1
1 204 . 25 1 1 A 17 17 HIS HA H 17 4.755 4.072 0.683 1
1 207 . 25 1 1 A 17 17 HIS C C 17 176.227 176.926 -0.699 1
1 208 . 25 1 1 A 17 17 HIS CA C 17 56.810 58.843 -2.033 1
1 209 . 25 1 1 A 17 17 HIS CB C 17 29.597 30.082 -0.485 1
1 210 . 25 1 1 A 17 17 HIS N N 17 115.499 118.447 -2.948 1
1 211 . 25 1 1 A 18 18 LYS H H 18 7.888 7.662 0.226 1
1 212 . 25 1 1 A 18 18 LYS HA H 18 3.870 3.828 0.042 1
1 221 . 25 1 1 A 18 18 LYS C C 18 176.927 179.012 -2.085 1
1 222 . 25 1 1 A 18 18 LYS CA C 18 57.897 59.053 -1.156 1
1 223 . 25 1 1 A 18 18 LYS CB C 18 31.582 32.197 -0.615 1
1 227 . 25 1 1 A 18 18 LYS N N 18 121.217 118.458 2.759 1
1 228 . 25 1 1 A 19 19 TYR H H 19 6.928 7.615 -0.687 1
1 229 . 25 1 1 A 19 19 TYR HA H 19 4.163 4.015 0.148 1
1 234 . 25 1 1 A 19 19 TYR C C 19 175.027 178.628 -3.601 1
1 235 . 25 1 1 A 19 19 TYR CA C 19 59.335 61.129 -1.794 1
1 236 . 25 1 1 A 19 19 TYR CB C 19 39.515 37.794 1.721 1
1 237 . 25 1 1 A 19 19 TYR N N 19 114.488 118.921 -4.433 1
1 238 . 25 1 1 A 20 20 SER H H 20 8.021 8.359 -0.338 1
1 239 . 25 1 1 A 20 20 SER HA H 20 3.105 3.914 -0.809 1
1 242 . 25 1 1 A 20 20 SER C C 20 176.527 176.246 0.281 1
1 243 . 25 1 1 A 20 20 SER CA C 20 60.457 60.594 -0.137 1
1 244 . 25 1 1 A 20 20 SER CB C 20 60.326 61.979 -1.653 1
1 245 . 25 1 1 A 20 20 SER N N 20 112.624 115.187 -2.563 1
1 246 . 25 1 1 A 21 21 GLY H H 21 7.908 7.808 0.100 1
1 247 . 25 1 1 A 21 21 GLY HA2 H 21 4.197 3.844 0.353 1
1 248 . 25 1 1 A 21 21 GLY HA3 H 21 3.761 3.986 -0.225 1
1 249 . 25 1 1 A 21 21 GLY C C 21 173.027 175.106 -2.079 1
1 250 . 25 1 1 A 21 21 GLY CA C 21 44.357 45.660 -1.303 1
1 251 . 25 1 1 A 21 21 GLY N N 21 112.095 109.682 2.413 1
1 252 . 25 1 1 A 22 22 ARG H H 22 7.470 7.541 -0.071 1
1 253 . 25 1 1 A 22 22 ARG HA H 22 3.956 4.058 -0.102 1
1 260 . 25 1 1 A 22 22 ARG C C 22 176.327 175.332 0.995 1
1 261 . 25 1 1 A 22 22 ARG CA C 22 58.189 58.222 -0.033 1
1 262 . 25 1 1 A 22 22 ARG CB C 22 29.483 30.592 -1.109 1
1 265 . 25 1 1 A 22 22 ARG N N 22 122.481 120.940 1.541 1
1 266 . 25 1 1 A 23 23 GLU H H 23 9.412 7.667 1.745 1
1 267 . 25 1 1 A 23 23 GLU HA H 23 4.626 4.620 0.006 1
1 272 . 25 1 1 A 23 23 GLU C C 23 175.027 175.887 -0.860 1
1 273 . 25 1 1 A 23 23 GLU CA C 23 53.319 54.842 -1.523 1
1 274 . 25 1 1 A 23 23 GLU CB C 23 32.032 32.895 -0.863 1
1 276 . 25 1 1 A 23 23 GLU N N 23 116.123 116.969 -0.846 1
1 277 . 25 1 1 A 24 24 GLY H H 24 9.080 8.941 0.139 1
1 278 . 25 1 1 A 24 24 GLY HA2 H 24 3.694 3.682 0.012 1
1 279 . 25 1 1 A 24 24 GLY HA3 H 24 3.878 3.728 0.150 1
1 280 . 25 1 1 A 24 24 GLY C C 24 172.827 174.315 -1.488 1
1 281 . 25 1 1 A 24 24 GLY CA C 24 44.707 47.070 -2.363 1
1 282 . 25 1 1 A 24 24 GLY N N 24 114.015 111.289 2.726 1
1 283 . 25 1 1 A 25 25 SER H H 25 8.465 8.719 -0.254 1
1 284 . 25 1 1 A 25 25 SER HA H 25 4.312 4.403 -0.091 1
1 287 . 25 1 1 A 25 25 SER C C 25 178.027 174.606 3.421 1
1 288 . 25 1 1 A 25 25 SER CA C 25 57.478 58.837 -1.359 1
1 289 . 25 1 1 A 25 25 SER CB C 25 61.941 62.203 -0.262 1
1 290 . 25 1 1 A 25 25 SER N N 25 117.299 120.219 -2.920 1
1 291 . 25 1 1 A 26 26 LYS H H 26 9.532 8.715 0.817 1
1 292 . 25 1 1 A 26 26 LYS HA H 26 4.660 4.191 0.469 1
1 301 . 25 1 1 A 26 26 LYS C C 26 176.127 177.695 -1.568 1
1 302 . 25 1 1 A 26 26 LYS CA C 26 56.928 57.693 -0.765 1
1 303 . 25 1 1 A 26 26 LYS CB C 26 30.526 32.190 -1.664 1
1 307 . 25 1 1 A 26 26 LYS N N 26 131.209 127.573 3.636 1
1 308 . 25 1 1 A 27 27 LEU H H 27 8.643 7.390 1.253 1
1 309 . 25 1 1 A 27 27 LEU HA H 27 4.583 4.262 0.321 1
1 319 . 25 1 1 A 27 27 LEU C C 27 174.827 176.990 -2.163 1
1 320 . 25 1 1 A 27 27 LEU CA C 27 53.205 56.249 -3.044 1
1 321 . 25 1 1 A 27 27 LEU CB C 27 41.824 43.623 -1.799 1
1 325 . 25 1 1 A 27 27 LEU N N 27 118.729 118.064 0.665 1
1 326 . 25 1 1 A 28 28 THR H H 28 7.037 7.427 -0.390 1
1 327 . 25 1 1 A 28 28 THR HA H 28 5.168 5.214 -0.046 1
1 332 . 25 1 1 A 28 28 THR C C 28 172.727 173.675 -0.948 1
1 333 . 25 1 1 A 28 28 THR CA C 28 57.915 59.502 -1.587 1
1 334 . 25 1 1 A 28 28 THR CB C 28 71.934 71.806 0.128 1
1 336 . 25 1 1 A 28 28 THR N N 28 104.663 108.334 -3.671 1
1 337 . 25 1 1 A 29 29 LEU H H 29 9.517 8.716 0.801 1
1 338 . 25 1 1 A 29 29 LEU HA H 29 5.196 4.953 0.243 1
1 348 . 25 1 1 A 29 29 LEU C C 29 175.527 176.228 -0.701 1
1 349 . 25 1 1 A 29 29 LEU CA C 29 51.653 53.269 -1.616 1
1 350 . 25 1 1 A 29 29 LEU CB C 29 42.301 44.035 -1.734 1
1 354 . 25 1 1 A 29 29 LEU N N 29 125.388 121.459 3.929 1
1 355 . 25 1 1 A 30 30 SER H H 30 10.053 8.725 1.328 1
1 356 . 25 1 1 A 30 30 SER HA H 30 4.475 4.799 -0.324 1
1 359 . 25 1 1 A 30 30 SER C C 30 173.427 175.317 -1.890 1
1 360 . 25 1 1 A 30 30 SER CA C 30 55.011 57.422 -2.411 1
1 361 . 25 1 1 A 30 30 SER CB C 30 64.446 65.326 -0.880 1
1 362 . 25 1 1 A 30 30 SER N N 30 121.114 115.704 5.410 1
1 363 . 25 1 1 A 31 31 ARG H H 31 8.992 8.903 0.089 1
1 364 . 25 1 1 A 31 31 ARG HA H 31 3.923 4.027 -0.104 1
1 371 . 25 1 1 A 31 31 ARG C C 31 177.027 177.930 -0.903 1
1 372 . 25 1 1 A 31 31 ARG CA C 31 59.408 59.240 0.168 1
1 373 . 25 1 1 A 31 31 ARG CB C 31 29.041 29.941 -0.900 1
1 376 . 25 1 1 A 31 31 ARG N N 31 120.513 122.749 -2.236 1
1 377 . 25 1 1 A 32 32 LYS H H 32 7.845 7.574 0.271 1
1 378 . 25 1 1 A 32 32 LYS HA H 32 3.826 4.157 -0.331 1
1 387 . 25 1 1 A 32 32 LYS C C 32 178.927 178.863 0.064 1
1 388 . 25 1 1 A 32 32 LYS CA C 32 58.677 58.591 0.086 1
1 389 . 25 1 1 A 32 32 LYS CB C 32 31.964 33.094 -1.130 1
1 393 . 25 1 1 A 32 32 LYS N N 32 117.011 117.965 -0.954 1
1 394 . 25 1 1 A 33 33 GLU H H 33 7.612 7.698 -0.086 1
1 395 . 25 1 1 A 33 33 GLU HA H 33 3.954 4.063 -0.109 1
1 400 . 25 1 1 A 33 33 GLU C C 33 177.227 178.895 -1.668 1
1 401 . 25 1 1 A 33 33 GLU CA C 33 58.289 58.998 -0.709 1
1 402 . 25 1 1 A 33 33 GLU CB C 33 29.757 29.293 0.464 1
1 404 . 25 1 1 A 33 33 GLU N N 33 120.815 119.616 1.199 1
1 405 . 25 1 1 A 34 34 LEU H H 34 8.694 8.502 0.192 1
1 406 . 25 1 1 A 34 34 LEU HA H 34 3.811 3.940 -0.129 1
1 416 . 25 1 1 A 34 34 LEU C C 34 176.927 178.196 -1.269 1
1 417 . 25 1 1 A 34 34 LEU CA C 34 57.025 57.992 -0.967 1
1 418 . 25 1 1 A 34 34 LEU CB C 34 40.638 41.631 -0.993 1
1 422 . 25 1 1 A 34 34 LEU N N 34 119.291 121.629 -2.338 1
1 423 . 25 1 1 A 35 35 LYS H H 35 8.114 7.606 0.508 1
1 424 . 25 1 1 A 35 35 LYS HA H 35 3.569 3.856 -0.287 1
1 433 . 25 1 1 A 35 35 LYS C C 35 177.027 178.339 -1.312 1
1 434 . 25 1 1 A 35 35 LYS CA C 35 59.419 59.360 0.059 1
1 435 . 25 1 1 A 35 35 LYS CB C 35 31.271 32.079 -0.808 1
1 439 . 25 1 1 A 35 35 LYS N N 35 117.277 118.469 -1.192 1
1 440 . 25 1 1 A 36 36 GLU H H 36 7.560 7.970 -0.410 1
1 441 . 25 1 1 A 36 36 GLU HA H 36 3.845 3.970 -0.125 1
1 446 . 25 1 1 A 36 36 GLU C C 36 175.827 178.083 -2.256 1
1 447 . 25 1 1 A 36 36 GLU CA C 36 58.190 58.981 -0.791 1
1 448 . 25 1 1 A 36 36 GLU CB C 36 28.253 29.547 -1.294 1
1 450 . 25 1 1 A 36 36 GLU N N 36 119.302 119.104 0.198 1
1 451 . 25 1 1 A 37 37 LEU H H 37 7.682 8.144 -0.462 1
1 452 . 25 1 1 A 37 37 LEU HA H 37 2.280 2.792 -0.512 1
1 462 . 25 1 1 A 37 37 LEU C C 37 178.327 178.275 0.052 1
1 463 . 25 1 1 A 37 37 LEU CA C 37 58.225 57.817 0.408 1
1 464 . 25 1 1 A 37 37 LEU CB C 37 41.090 41.538 -0.448 1
1 468 . 25 1 1 A 37 37 LEU N N 37 121.690 120.262 1.428 1
1 469 . 25 1 1 A 38 38 ILE H H 38 8.157 8.234 -0.077 1
1 470 . 25 1 1 A 38 38 ILE HA H 38 3.292 3.566 -0.274 1
1 480 . 25 1 1 A 38 38 ILE C C 38 177.027 178.198 -1.171 1
1 481 . 25 1 1 A 38 38 ILE CA C 38 65.007 65.606 -0.599 1
1 482 . 25 1 1 A 38 38 ILE CB C 38 37.187 38.150 -0.963 1
1 486 . 25 1 1 A 38 38 ILE N N 38 117.626 119.594 -1.968 1
1 487 . 25 1 1 A 39 39 LYS H H 39 8.068 8.253 -0.185 1
1 488 . 25 1 1 A 39 39 LYS HA H 39 3.876 4.210 -0.334 1
1 497 . 25 1 1 A 39 39 LYS C C 39 177.927 178.647 -0.720 1
1 498 . 25 1 1 A 39 39 LYS CA C 39 58.204 58.476 -0.272 1
1 499 . 25 1 1 A 39 39 LYS CB C 39 31.731 32.143 -0.412 1
1 503 . 25 1 1 A 39 39 LYS N N 39 117.909 120.421 -2.512 1
1 504 . 25 1 1 A 40 40 LYS H H 40 8.094 7.663 0.431 1
1 505 . 25 1 1 A 40 40 LYS HA H 40 4.248 4.182 0.066 1
1 514 . 25 1 1 A 40 40 LYS C C 40 178.227 178.579 -0.352 1
1 515 . 25 1 1 A 40 40 LYS CA C 40 56.291 58.706 -2.415 1
1 516 . 25 1 1 A 40 40 LYS CB C 40 32.652 33.131 -0.479 1
1 520 . 25 1 1 A 40 40 LYS N N 40 114.323 118.951 -4.628 1
1 521 . 25 1 1 A 41 41 GLU H H 41 8.381 8.613 -0.232 1
1 522 . 25 1 1 A 41 41 GLU HA H 41 4.744 4.221 0.523 1
1 527 . 25 1 1 A 41 41 GLU C C 41 176.227 177.092 -0.865 1
1 528 . 25 1 1 A 41 41 GLU CA C 41 55.054 59.070 -4.016 1
1 529 . 25 1 1 A 41 41 GLU CB C 41 29.598 29.776 -0.178 1
1 531 . 25 1 1 A 41 41 GLU N N 41 113.079 118.093 -5.014 1
1 532 . 25 1 1 A 42 42 LEU H H 42 7.544 8.445 -0.901 1
1 533 . 25 1 1 A 42 42 LEU HA H 42 4.754 4.620 0.134 1
1 542 . 25 1 1 A 42 42 LEU CA C 42 52.564 53.969 -1.405 1
1 543 . 25 1 1 A 42 42 LEU CB C 42 43.848 41.412 2.436 1
1 546 . 25 1 1 A 42 42 LEU N N 42 118.458 121.106 -2.648 1
1 547 . 25 1 1 A 43 43 CYS H H 43 8.342 8.618 -0.276 1
1 548 . 25 1 1 A 43 43 CYS HA H 43 4.486 4.675 -0.189 1
1 551 . 25 1 1 A 43 43 CYS C C 43 174.327 174.544 -0.217 1
1 552 . 25 1 1 A 43 43 CYS CA C 43 57.655 59.105 -1.450 1
1 553 . 25 1 1 A 43 43 CYS CB C 43 25.653 26.948 -1.295 1
1 554 . 25 1 1 A 44 44 LEU H H 44 8.123 7.499 0.624 1
1 555 . 25 1 1 A 44 44 LEU HA H 44 4.339 4.667 -0.328 1
1 565 . 25 1 1 A 44 44 LEU C C 44 176.927 178.752 -1.825 1
1 566 . 25 1 1 A 44 44 LEU CA C 44 53.750 53.807 -0.057 1
1 567 . 25 1 1 A 44 44 LEU CB C 44 40.784 42.967 -2.183 1
1 571 . 25 1 1 A 44 44 LEU N N 44 121.974 122.702 -0.728 1
1 572 . 25 1 1 A 45 45 GLY H H 45 8.072 8.889 -0.817 1
1 573 . 25 1 1 A 45 45 GLY HA2 H 45 3.889 3.852 0.037 1
1 574 . 25 1 1 A 45 45 GLY HA3 H 45 3.698 3.867 -0.169 1
1 575 . 25 1 1 A 45 45 GLY C C 45 173.127 175.871 -2.744 1
1 576 . 25 1 1 A 45 45 GLY CA C 45 44.291 46.997 -2.706 1
1 577 . 25 1 1 A 45 45 GLY N N 45 107.819 111.598 -3.779 1
1 578 . 25 1 1 A 46 46 GLU H H 46 8.472 7.896 0.576 1
1 579 . 25 1 1 A 46 46 GLU HA H 46 4.048 4.063 -0.015 1
1 584 . 25 1 1 A 46 46 GLU C C 46 175.727 177.775 -2.048 1
1 585 . 25 1 1 A 46 46 GLU CA C 46 56.461 59.064 -2.603 1
1 586 . 25 1 1 A 46 46 GLU CB C 46 28.208 29.492 -1.284 1
1 588 . 25 1 1 A 46 46 GLU N N 46 120.563 120.306 0.257 1
1 589 . 25 1 1 A 47 47 MET H H 47 8.189 7.750 0.439 1
1 590 . 25 1 1 A 47 47 MET HA H 47 4.413 4.627 -0.214 1
1 598 . 25 1 1 A 47 47 MET C C 47 175.027 175.170 -0.143 1
1 599 . 25 1 1 A 47 47 MET CA C 47 53.905 54.385 -0.480 1
1 600 . 25 1 1 A 47 47 MET CB C 47 32.611 31.243 1.368 1
1 603 . 25 1 1 A 47 47 MET N N 47 123.201 116.837 6.364 1
1 604 . 25 1 1 A 48 48 LYS H H 48 8.355 7.862 0.493 1
1 605 . 25 1 1 A 48 48 LYS HA H 48 4.237 4.518 -0.281 1
1 614 . 25 1 1 A 48 48 LYS C C 48 177.027 176.479 0.548 1
1 615 . 25 1 1 A 48 48 LYS CA C 48 55.443 56.024 -0.581 1
1 616 . 25 1 1 A 48 48 LYS CB C 48 32.173 33.420 -1.247 1
1 620 . 25 1 1 A 48 48 LYS N N 48 123.046 121.896 1.150 1
1 621 . 25 1 1 A 49 49 GLU H H 49 8.742 9.149 -0.407 1
1 622 . 25 1 1 A 49 49 GLU HA H 49 3.884 3.911 -0.027 1
1 627 . 25 1 1 A 49 49 GLU C C 49 177.727 178.234 -0.507 1
1 628 . 25 1 1 A 49 49 GLU CA C 49 58.534 60.302 -1.768 1
1 629 . 25 1 1 A 49 49 GLU CB C 49 27.870 29.448 -1.578 1
1 631 . 25 1 1 A 49 49 GLU N N 49 122.407 120.651 1.756 1
1 632 . 25 1 1 A 50 50 SER H H 50 8.324 8.140 0.184 1
1 633 . 25 1 1 A 50 50 SER HA H 50 4.188 4.277 -0.089 1
1 636 . 25 1 1 A 50 50 SER C C 50 175.427 175.452 -0.025 1
1 637 . 25 1 1 A 50 50 SER CA C 50 59.402 61.322 -1.920 1
1 638 . 25 1 1 A 50 50 SER CB C 50 61.442 63.116 -1.674 1
1 639 . 25 1 1 A 50 50 SER N N 50 112.475 117.080 -4.605 1
1 640 . 25 1 1 A 51 51 SER H H 51 7.400 8.370 -0.970 1
1 641 . 25 1 1 A 51 51 SER HA H 51 3.926 4.386 -0.460 1
1 644 . 25 1 1 A 51 51 SER C C 51 176.027 176.434 -0.407 1
1 645 . 25 1 1 A 51 51 SER CA C 51 59.762 61.482 -1.720 1
1 646 . 25 1 1 A 51 51 SER CB C 51 60.955 63.350 -2.395 1
1 647 . 25 1 1 A 51 51 SER N N 51 118.432 118.749 -0.317 1
1 648 . 25 1 1 A 52 52 ILE H H 52 7.790 7.913 -0.123 1
1 649 . 25 1 1 A 52 52 ILE HA H 52 3.642 3.822 -0.180 1
1 659 . 25 1 1 A 52 52 ILE C C 52 176.427 177.499 -1.072 1
1 660 . 25 1 1 A 52 52 ILE CA C 52 61.984 64.276 -2.292 1
1 661 . 25 1 1 A 52 52 ILE CB C 52 34.990 36.742 -1.752 1
1 665 . 25 1 1 A 52 52 ILE N N 52 123.838 122.405 1.433 1
1 666 . 25 1 1 A 53 53 ASP H H 53 8.092 8.473 -0.381 1
1 667 . 25 1 1 A 53 53 ASP HA H 53 4.225 4.274 -0.049 1
1 670 . 25 1 1 A 53 53 ASP C C 53 178.227 178.318 -0.091 1
1 671 . 25 1 1 A 53 53 ASP CA C 53 56.606 57.682 -1.076 1
1 672 . 25 1 1 A 53 53 ASP CB C 53 39.034 41.702 -2.668 1
1 673 . 25 1 1 A 53 53 ASP N N 53 121.313 122.322 -1.009 1
1 674 . 25 1 1 A 54 54 ASP H H 54 7.811 8.259 -0.448 1
1 675 . 25 1 1 A 54 54 ASP HA H 54 4.253 4.437 -0.184 1
1 678 . 25 1 1 A 54 54 ASP C C 54 177.927 179.061 -1.134 1
1 679 . 25 1 1 A 54 54 ASP CA C 54 56.467 57.093 -0.626 1
1 680 . 25 1 1 A 54 54 ASP CB C 54 39.401 40.329 -0.928 1
1 681 . 25 1 1 A 54 54 ASP N N 54 120.122 118.813 1.309 1
1 682 . 25 1 1 A 55 55 LEU H H 55 7.789 7.905 -0.116 1
1 683 . 25 1 1 A 55 55 LEU HA H 55 3.979 4.145 -0.166 1
1 693 . 25 1 1 A 55 55 LEU C C 55 178.027 178.463 -0.436 1
1 694 . 25 1 1 A 55 55 LEU CA C 55 56.713 57.760 -1.047 1
1 695 . 25 1 1 A 55 55 LEU CB C 55 40.799 41.682 -0.883 1
1 699 . 25 1 1 A 55 55 LEU N N 55 122.944 121.262 1.682 1
1 700 . 25 1 1 A 56 56 MET H H 56 8.601 8.489 0.112 1
1 701 . 25 1 1 A 56 56 MET HA H 56 3.827 4.138 -0.311 1
1 709 . 25 1 1 A 56 56 MET C C 56 177.027 178.458 -1.431 1
1 710 . 25 1 1 A 56 56 MET CA C 56 57.116 58.414 -1.298 1
1 711 . 25 1 1 A 56 56 MET CB C 56 29.825 31.862 -2.037 1
1 714 . 25 1 1 A 56 56 MET N N 56 117.863 119.821 -1.958 1
1 715 . 25 1 1 A 57 57 LYS H H 57 7.693 8.122 -0.429 1
1 716 . 25 1 1 A 57 57 LYS HA H 57 3.954 4.166 -0.212 1
1 725 . 25 1 1 A 57 57 LYS C C 57 178.127 178.693 -0.566 1
1 726 . 25 1 1 A 57 57 LYS CA C 57 58.352 58.784 -0.432 1
1 727 . 25 1 1 A 57 57 LYS CB C 57 31.315 32.169 -0.854 1
1 731 . 25 1 1 A 57 57 LYS N N 57 116.455 119.167 -2.712 1
1 732 . 25 1 1 A 58 58 SER H H 58 7.661 8.023 -0.362 1
1 733 . 25 1 1 A 58 58 SER HA H 58 4.115 4.386 -0.271 1
1 736 . 25 1 1 A 58 58 SER C C 58 174.827 176.963 -2.136 1
1 737 . 25 1 1 A 58 58 SER CA C 58 59.986 61.067 -1.081 1
1 738 . 25 1 1 A 58 58 SER CB C 58 62.464 62.915 -0.451 1
1 739 . 25 1 1 A 58 58 SER N N 58 113.020 115.286 -2.266 1
1 740 . 25 1 1 A 59 59 LEU H H 59 7.917 7.934 -0.017 1
1 741 . 25 1 1 A 59 59 LEU HA H 59 4.269 4.217 0.052 1
1 751 . 25 1 1 A 59 59 LEU C C 59 177.627 178.133 -0.506 1
1 752 . 25 1 1 A 59 59 LEU CA C 59 54.402 57.265 -2.863 1
1 753 . 25 1 1 A 59 59 LEU CB C 59 43.731 42.438 1.293 1
1 757 . 25 1 1 A 59 59 LEU N N 59 117.463 120.514 -3.051 1
1 758 . 25 1 1 A 60 60 ASP H H 60 8.025 8.498 -0.473 1
1 759 . 25 1 1 A 60 60 ASP HA H 60 4.566 5.000 -0.434 1
1 762 . 25 1 1 A 60 60 ASP C C 60 176.627 176.864 -0.237 1
1 763 . 25 1 1 A 60 60 ASP CA C 60 52.335 52.830 -0.495 1
1 764 . 25 1 1 A 60 60 ASP CB C 60 38.139 39.035 -0.896 1
1 765 . 25 1 1 A 60 60 ASP N N 60 117.588 117.596 -0.008 1
1 766 . 25 1 1 A 61 61 LYS H H 61 8.100 8.222 -0.122 1
1 767 . 25 1 1 A 61 61 LYS HA H 61 4.035 4.110 -0.075 1
1 776 . 25 1 1 A 61 61 LYS C C 61 176.727 177.900 -1.173 1
1 777 . 25 1 1 A 61 61 LYS CA C 61 56.887 58.787 -1.900 1
1 778 . 25 1 1 A 61 61 LYS CB C 61 31.653 32.238 -0.585 1
1 782 . 25 1 1 A 61 61 LYS N N 61 126.943 125.237 1.706 1
1 783 . 25 1 1 A 62 62 ASN H H 62 7.864 7.503 0.361 1
1 784 . 25 1 1 A 62 62 ASN HA H 62 4.759 4.695 0.064 1
1 789 . 25 1 1 A 62 62 ASN C C 62 173.727 175.688 -1.961 1
1 790 . 25 1 1 A 62 62 ASN CA C 62 50.660 51.887 -1.227 1
1 791 . 25 1 1 A 62 62 ASN CB C 62 35.920 37.741 -1.821 1
1 792 . 25 1 1 A 62 62 ASN N N 62 113.588 113.972 -0.384 1
1 794 . 25 1 1 A 63 63 SER H H 63 7.613 8.269 -0.656 1
1 795 . 25 1 1 A 63 63 SER HA H 63 3.962 4.132 -0.170 1
1 798 . 25 1 1 A 63 63 SER C C 63 172.927 174.828 -1.901 1
1 799 . 25 1 1 A 63 63 SER CA C 63 58.262 59.369 -1.107 1
1 800 . 25 1 1 A 63 63 SER CB C 63 60.708 62.567 -1.859 1
1 801 . 25 1 1 A 63 63 SER N N 63 111.592 114.615 -3.023 1
1 802 . 25 1 1 A 64 64 ASP H H 64 8.217 7.901 0.316 1
1 803 . 25 1 1 A 64 64 ASP HA H 64 4.653 4.564 0.089 1
1 806 . 25 1 1 A 64 64 ASP C C 64 175.927 176.682 -0.755 1
1 807 . 25 1 1 A 64 64 ASP CA C 64 51.641 53.256 -1.615 1
1 808 . 25 1 1 A 64 64 ASP CB C 64 39.385 40.174 -0.789 1
1 809 . 25 1 1 A 64 64 ASP N N 64 118.913 120.774 -1.861 1
1 810 . 25 1 1 A 65 65 GLN H H 65 10.239 8.070 2.169 1
1 811 . 25 1 1 A 65 65 GLN HA H 65 3.356 3.907 -0.551 1
1 818 . 25 1 1 A 65 65 GLN C C 65 172.627 174.639 -2.012 1
1 819 . 25 1 1 A 65 65 GLN CA C 65 56.325 57.463 -1.138 1
1 820 . 25 1 1 A 65 65 GLN CB C 65 24.910 27.645 -2.735 1
1 822 . 25 1 1 A 65 65 GLN N N 65 114.908 116.091 -1.183 1
1 824 . 25 1 1 A 66 66 GLU H H 66 7.710 7.526 0.184 1
1 825 . 25 1 1 A 66 66 GLU HA H 66 4.691 4.875 -0.184 1
1 830 . 25 1 1 A 66 66 GLU C C 66 174.127 175.133 -1.006 1
1 831 . 25 1 1 A 66 66 GLU CA C 66 52.987 55.042 -2.055 1
1 832 . 25 1 1 A 66 66 GLU CB C 66 32.433 32.116 0.317 1
1 834 . 25 1 1 A 66 66 GLU N N 66 115.721 118.572 -2.851 1
1 835 . 25 1 1 A 67 67 ILE H H 67 9.938 8.714 1.224 1
1 836 . 25 1 1 A 67 67 ILE HA H 67 5.291 4.710 0.581 1
1 846 . 25 1 1 A 67 67 ILE C C 67 175.627 174.989 0.638 1
1 847 . 25 1 1 A 67 67 ILE CA C 67 56.241 60.309 -4.068 1
1 848 . 25 1 1 A 67 67 ILE CB C 67 35.492 39.079 -3.587 1
1 852 . 25 1 1 A 67 67 ILE N N 67 125.901 125.043 0.858 1
1 853 . 25 1 1 A 68 68 ASP H H 68 8.794 8.877 -0.083 1
1 854 . 25 1 1 A 68 68 ASP HA H 68 5.002 4.879 0.123 1
1 857 . 25 1 1 A 68 68 ASP C C 68 174.427 177.386 -2.959 1
1 858 . 25 1 1 A 68 68 ASP CA C 68 51.563 53.619 -2.056 1
1 859 . 25 1 1 A 68 68 ASP CB C 68 40.493 42.030 -1.537 1
1 860 . 25 1 1 A 68 68 ASP N N 68 127.844 128.149 -0.305 1
1 861 . 25 1 1 A 69 69 PHE H H 69 9.068 9.293 -0.225 1
1 862 . 25 1 1 A 69 69 PHE HA H 69 3.130 4.090 -0.960 1
1 869 . 25 1 1 A 69 69 PHE C C 69 176.827 177.378 -0.551 1
1 870 . 25 1 1 A 69 69 PHE CA C 69 62.478 61.952 0.526 1
1 871 . 25 1 1 A 69 69 PHE CB C 69 38.096 39.718 -1.622 1
1 872 . 25 1 1 A 69 69 PHE N N 69 118.955 126.511 -7.556 1
1 873 . 25 1 1 A 70 70 LYS H H 70 8.123 8.607 -0.484 1
1 874 . 25 1 1 A 70 70 LYS HA H 70 3.871 4.092 -0.221 1
1 883 . 25 1 1 A 70 70 LYS C C 70 179.527 178.792 0.735 1
1 884 . 25 1 1 A 70 70 LYS CA C 70 59.457 59.323 0.134 1
1 885 . 25 1 1 A 70 70 LYS CB C 70 30.772 32.035 -1.263 1
1 889 . 25 1 1 A 70 70 LYS N N 70 120.287 117.711 2.576 1
1 890 . 25 1 1 A 71 71 GLU H H 71 8.746 8.234 0.512 1
1 891 . 25 1 1 A 71 71 GLU HA H 71 4.099 4.232 -0.133 1
1 896 . 25 1 1 A 71 71 GLU C C 71 179.127 178.882 0.245 1
1 897 . 25 1 1 A 71 71 GLU CA C 71 57.934 58.689 -0.755 1
1 898 . 25 1 1 A 71 71 GLU CB C 71 29.266 30.379 -1.113 1
1 900 . 25 1 1 A 71 71 GLU N N 71 122.207 118.873 3.334 1
1 901 . 25 1 1 A 72 72 TYR H H 72 8.879 8.802 0.077 1
1 902 . 25 1 1 A 72 72 TYR HA H 72 4.010 4.220 -0.210 1
1 909 . 25 1 1 A 72 72 TYR C C 72 175.927 178.478 -2.551 1
1 910 . 25 1 1 A 72 72 TYR CA C 72 58.551 61.685 -3.134 1
1 911 . 25 1 1 A 72 72 TYR CB C 72 38.072 38.324 -0.252 1
1 912 . 25 1 1 A 72 72 TYR N N 72 121.813 122.737 -0.924 1
1 913 . 25 1 1 A 73 73 SER H H 73 8.414 8.212 0.202 1
1 914 . 25 1 1 A 73 73 SER HA H 73 3.462 4.207 -0.745 1
1 917 . 25 1 1 A 73 73 SER C C 73 175.127 176.368 -1.241 1
1 918 . 25 1 1 A 73 73 SER CA C 73 61.876 60.736 1.140 1
1 919 . 25 1 1 A 73 73 SER CB C 73 61.327 63.336 -2.009 1
1 920 . 25 1 1 A 73 73 SER N N 73 117.840 114.292 3.548 1
1 921 . 25 1 1 A 74 74 VAL H H 74 7.363 7.853 -0.490 1
1 922 . 25 1 1 A 74 74 VAL HA H 74 3.584 3.603 -0.019 1
1 930 . 25 1 1 A 74 74 VAL C C 74 178.027 178.366 -0.339 1
1 931 . 25 1 1 A 74 74 VAL CA C 74 65.397 66.181 -0.784 1
1 932 . 25 1 1 A 74 74 VAL CB C 74 30.300 31.491 -1.191 1
1 935 . 25 1 1 A 74 74 VAL N N 74 123.439 122.045 1.394 1
1 936 . 25 1 1 A 75 75 PHE H H 75 7.282 8.291 -1.009 1
1 937 . 25 1 1 A 75 75 PHE HA H 75 4.562 4.013 0.549 1
1 945 . 25 1 1 A 75 75 PHE C C 75 176.127 176.944 -0.817 1
1 946 . 25 1 1 A 75 75 PHE CA C 75 57.851 60.933 -3.082 1
1 947 . 25 1 1 A 75 75 PHE CB C 75 36.863 38.630 -1.767 1
1 948 . 25 1 1 A 75 75 PHE N N 75 122.766 121.254 1.512 1
1 949 . 25 1 1 A 76 76 LEU H H 76 7.823 8.398 -0.575 1
1 950 . 25 1 1 A 76 76 LEU HA H 76 3.445 3.705 -0.260 1
1 960 . 25 1 1 A 76 76 LEU C C 76 178.927 179.109 -0.182 1
1 961 . 25 1 1 A 76 76 LEU CA C 76 56.891 57.925 -1.034 1
1 962 . 25 1 1 A 76 76 LEU CB C 76 39.917 41.398 -1.481 1
1 966 . 25 1 1 A 76 76 LEU N N 76 115.619 119.282 -3.663 1
1 967 . 25 1 1 A 77 77 THR H H 77 7.858 7.953 -0.095 1
1 968 . 25 1 1 A 77 77 THR HA H 77 3.665 3.815 -0.150 1
1 974 . 25 1 1 A 77 77 THR C C 77 175.427 176.744 -1.317 1
1 975 . 25 1 1 A 77 77 THR CA C 77 66.127 66.676 -0.549 1
1 976 . 25 1 1 A 77 77 THR CB C 77 67.585 68.402 -0.817 1
1 978 . 25 1 1 A 77 77 THR N N 77 113.417 115.992 -2.575 1
1 979 . 25 1 1 A 78 78 MET H H 78 7.970 8.335 -0.365 1
1 980 . 25 1 1 A 78 78 MET HA H 78 3.935 3.964 -0.029 1
1 988 . 25 1 1 A 78 78 MET C C 78 179.127 178.790 0.337 1
1 989 . 25 1 1 A 78 78 MET CA C 78 58.780 58.831 -0.051 1
1 990 . 25 1 1 A 78 78 MET CB C 78 31.501 32.674 -1.173 1
1 993 . 25 1 1 A 78 78 MET N N 78 122.745 118.260 4.485 1
1 994 . 25 1 1 A 79 79 LEU H H 79 7.898 7.956 -0.058 1
1 995 . 25 1 1 A 79 79 LEU HA H 79 3.870 3.997 -0.127 1
1 1005 . 25 1 1 A 79 79 LEU C C 79 178.427 178.771 -0.344 1
1 1006 . 25 1 1 A 79 79 LEU CA C 79 56.843 57.716 -0.873 1
1 1007 . 25 1 1 A 79 79 LEU CB C 79 41.099 40.990 0.109 1
1 1011 . 25 1 1 A 79 79 LEU N N 79 120.989 119.725 1.264 1
1 1012 . 25 1 1 A 80 80 CYS H H 80 8.400 8.476 -0.076 1
1 1013 . 25 1 1 A 80 80 CYS HA H 80 3.830 4.198 -0.368 1
1 1017 . 25 1 1 A 80 80 CYS C C 80 175.927 177.184 -1.257 1
1 1018 . 25 1 1 A 80 80 CYS CA C 80 64.044 62.800 1.244 1
1 1019 . 25 1 1 A 80 80 CYS CB C 80 25.626 27.150 -1.524 1
1 1020 . 25 1 1 A 80 80 CYS N N 80 117.746 118.683 -0.937 1
1 1021 . 25 1 1 A 81 81 MET H H 81 8.295 8.620 -0.325 1
1 1022 . 25 1 1 A 81 81 MET HA H 81 4.023 4.144 -0.121 1
1 1030 . 25 1 1 A 81 81 MET C C 81 177.327 178.102 -0.775 1
1 1031 . 25 1 1 A 81 81 MET CA C 81 57.601 59.017 -1.416 1
1 1032 . 25 1 1 A 81 81 MET CB C 81 30.668 32.920 -2.252 1
1 1035 . 25 1 1 A 81 81 MET N N 81 117.598 119.371 -1.773 1
1 1036 . 25 1 1 A 82 82 ALA H H 82 7.624 7.921 -0.297 1
1 1037 . 25 1 1 A 82 82 ALA HA H 82 4.061 4.055 0.006 1
1 1041 . 25 1 1 A 82 82 ALA C C 82 179.627 179.716 -0.089 1
1 1042 . 25 1 1 A 82 82 ALA CA C 82 53.856 55.220 -1.364 1
1 1043 . 25 1 1 A 82 82 ALA CB C 82 16.794 18.252 -1.458 1
1 1044 . 25 1 1 A 82 82 ALA N N 82 121.886 121.321 0.565 1
1 1045 . 25 1 1 A 83 83 TYR H H 83 8.476 8.065 0.411 1
1 1046 . 25 1 1 A 83 83 TYR HA H 83 4.147 4.408 -0.261 1
1 1053 . 25 1 1 A 83 83 TYR C C 83 178.127 178.243 -0.116 1
1 1054 . 25 1 1 A 83 83 TYR CA C 83 60.066 61.916 -1.850 1
1 1055 . 25 1 1 A 83 83 TYR CB C 83 36.546 37.891 -1.345 1
1 1056 . 25 1 1 A 83 83 TYR N N 83 119.136 116.179 2.957 1
1 1057 . 25 1 1 A 84 84 ASN H H 84 8.386 8.440 -0.054 1
1 1058 . 25 1 1 A 84 84 ASN HA H 84 4.221 4.482 -0.261 1
1 1063 . 25 1 1 A 84 84 ASN C C 84 175.427 177.376 -1.949 1
1 1064 . 25 1 1 A 84 84 ASN CA C 84 56.123 56.971 -0.848 1
1 1065 . 25 1 1 A 84 84 ASN CB C 84 37.387 39.142 -1.755 1
1 1066 . 25 1 1 A 84 84 ASN N N 84 120.692 119.065 1.627 1
1 1068 . 25 1 1 A 85 85 ASP H H 85 7.611 7.987 -0.376 1
1 1069 . 25 1 1 A 85 85 ASP HA H 85 4.234 4.442 -0.208 1
1 1072 . 25 1 1 A 85 85 ASP C C 85 178.227 178.460 -0.233 1
1 1073 . 25 1 1 A 85 85 ASP CA C 85 56.752 57.266 -0.514 1
1 1074 . 25 1 1 A 85 85 ASP CB C 85 38.688 40.739 -2.051 1
1 1075 . 25 1 1 A 85 85 ASP N N 85 118.378 119.087 -0.709 1
1 1076 . 25 1 1 A 86 86 PHE H H 86 7.538 8.250 -0.712 1
1 1077 . 25 1 1 A 86 86 PHE HA H 86 4.291 4.235 0.056 1
1 1084 . 25 1 1 A 86 86 PHE C C 86 176.627 177.676 -1.049 1
1 1085 . 25 1 1 A 86 86 PHE CA C 86 58.743 61.604 -2.861 1
1 1086 . 25 1 1 A 86 86 PHE CB C 86 37.488 39.507 -2.019 1
1 1087 . 25 1 1 A 86 86 PHE N N 86 118.712 120.418 -1.706 1
1 1088 . 25 1 1 A 87 87 PHE H H 87 8.132 8.433 -0.301 1
1 1089 . 25 1 1 A 87 87 PHE HA H 87 3.906 4.241 -0.335 1
1 1096 . 25 1 1 A 87 87 PHE C C 87 176.627 177.185 -0.558 1
1 1097 . 25 1 1 A 87 87 PHE CA C 87 59.554 61.677 -2.123 1
1 1098 . 25 1 1 A 87 87 PHE CB C 87 38.017 39.469 -1.452 1
1 1099 . 25 1 1 A 87 87 PHE N N 87 121.649 119.297 2.352 1
1 1100 . 25 1 1 A 88 88 LEU H H 88 7.953 7.774 0.179 1
1 1101 . 25 1 1 A 88 88 LEU HA H 88 3.775 4.151 -0.376 1
1 1111 . 25 1 1 A 88 88 LEU C C 88 177.627 178.028 -0.401 1
1 1112 . 25 1 1 A 88 88 LEU CA C 88 55.078 56.773 -1.695 1
1 1113 . 25 1 1 A 88 88 LEU CB C 88 41.226 41.739 -0.513 1
1 1117 . 25 1 1 A 88 88 LEU N N 88 118.897 119.066 -0.169 1
1 1118 . 25 1 1 A 89 89 GLU H H 89 7.475 8.061 -0.586 1
1 1119 . 25 1 1 A 89 89 GLU HA H 89 3.914 4.310 -0.396 1
1 1124 . 25 1 1 A 89 89 GLU C C 89 176.127 178.307 -2.180 1
1 1125 . 25 1 1 A 89 89 GLU CA C 89 56.926 57.670 -0.744 1
1 1126 . 25 1 1 A 89 89 GLU CB C 89 28.567 30.087 -1.520 1
1 1128 . 25 1 1 A 89 89 GLU N N 89 119.332 119.124 0.208 1
1 1129 . 25 1 1 A 90 90 ASP H H 90 7.750 8.213 -0.463 1
1 1130 . 25 1 1 A 90 90 ASP HA H 90 4.370 4.421 -0.051 1
1 1133 . 25 1 1 A 90 90 ASP C C 90 175.227 177.398 -2.171 1
1 1134 . 25 1 1 A 90 90 ASP CA C 90 53.593 56.598 -3.005 1
1 1135 . 25 1 1 A 90 90 ASP CB C 90 40.323 40.787 -0.464 1
1 1136 . 25 1 1 A 90 90 ASP N N 90 118.945 119.392 -0.447 1
1 1137 . 25 1 1 A 91 91 ASN H H 91 7.681 7.202 0.479 1
1 1138 . 25 1 1 A 91 91 ASN HA H 91 4.495 4.836 -0.341 1
1 1143 . 25 1 1 A 91 91 ASN C C 91 173.027 174.465 -1.438 1
1 1144 . 25 1 1 A 91 91 ASN CA C 91 52.041 52.736 -0.695 1
1 1145 . 25 1 1 A 91 91 ASN CB C 91 38.072 39.038 -0.966 1
1 1146 . 25 1 1 A 91 91 ASN N N 91 118.171 114.234 3.937 1
1 10 . 26 1 1 A 2 2 GLU H H 2 8.776 8.572 0.204 1
1 11 . 26 1 1 A 2 2 GLU HA H 2 4.535 4.839 -0.304 1
1 16 . 26 1 1 A 2 2 GLU C C 2 175.627 176.191 -0.564 1
1 17 . 26 1 1 A 2 2 GLU CA C 2 55.573 54.466 1.107 1
1 18 . 26 1 1 A 2 2 GLU CB C 2 30.569 33.889 -3.320 1
1 20 . 26 1 1 A 2 2 GLU N N 2 124.305 120.729 3.576 1
1 21 . 26 1 1 A 3 3 THR H H 3 8.835 8.624 0.211 1
1 22 . 26 1 1 A 3 3 THR HA H 3 4.608 4.552 0.056 1
1 27 . 26 1 1 A 3 3 THR CA C 3 59.187 60.633 -1.446 1
1 28 . 26 1 1 A 3 3 THR CB C 3 67.385 68.865 -1.480 1
1 30 . 26 1 1 A 3 3 THR N N 3 116.176 115.252 0.924 1
1 31 . 26 1 1 A 4 4 PRO HA H 4 4.158 4.458 -0.300 1
1 38 . 26 1 1 A 4 4 PRO C C 4 179.327 177.976 1.351 1
1 39 . 26 1 1 A 4 4 PRO CA C 4 65.040 64.419 0.621 1
1 40 . 26 1 1 A 4 4 PRO CB C 4 30.616 31.887 -1.271 1
1 43 . 26 1 1 A 5 5 LEU H H 5 8.794 7.254 1.540 1
1 44 . 26 1 1 A 5 5 LEU HA H 5 3.944 4.036 -0.092 1
1 54 . 26 1 1 A 5 5 LEU C C 5 177.327 178.519 -1.192 1
1 55 . 26 1 1 A 5 5 LEU CA C 5 56.920 57.445 -0.525 1
1 56 . 26 1 1 A 5 5 LEU CB C 5 41.139 41.612 -0.473 1
1 60 . 26 1 1 A 5 5 LEU N N 5 118.892 118.133 0.759 1
1 61 . 26 1 1 A 6 6 GLU H H 6 7.664 8.526 -0.862 1
1 62 . 26 1 1 A 6 6 GLU HA H 6 3.744 3.913 -0.169 1
1 67 . 26 1 1 A 6 6 GLU C C 6 178.827 179.547 -0.720 1
1 68 . 26 1 1 A 6 6 GLU CA C 6 59.347 59.918 -0.571 1
1 69 . 26 1 1 A 6 6 GLU CB C 6 28.700 29.205 -0.505 1
1 71 . 26 1 1 A 6 6 GLU N N 6 118.741 118.035 0.706 1
1 72 . 26 1 1 A 7 7 LYS H H 7 8.435 7.648 0.787 1
1 73 . 26 1 1 A 7 7 LYS HA H 7 3.909 4.022 -0.113 1
1 82 . 26 1 1 A 7 7 LYS C C 7 178.527 178.886 -0.359 1
1 83 . 26 1 1 A 7 7 LYS CA C 7 58.539 59.295 -0.756 1
1 84 . 26 1 1 A 7 7 LYS CB C 7 31.217 32.234 -1.017 1
1 88 . 26 1 1 A 7 7 LYS N N 7 119.285 119.832 -0.547 1
1 89 . 26 1 1 A 8 8 ALA H H 8 8.008 8.013 -0.005 1
1 90 . 26 1 1 A 8 8 ALA HA H 8 4.038 4.067 -0.029 1
1 94 . 26 1 1 A 8 8 ALA C C 8 178.327 179.985 -1.658 1
1 95 . 26 1 1 A 8 8 ALA CA C 8 54.356 55.172 -0.816 1
1 96 . 26 1 1 A 8 8 ALA CB C 8 17.509 18.744 -1.235 1
1 97 . 26 1 1 A 8 8 ALA N N 8 123.866 121.847 2.019 1
1 98 . 26 1 1 A 9 9 LEU H H 9 8.163 8.357 -0.194 1
1 99 . 26 1 1 A 9 9 LEU HA H 9 3.809 4.015 -0.206 1
1 109 . 26 1 1 A 9 9 LEU C C 9 178.527 179.310 -0.783 1
1 110 . 26 1 1 A 9 9 LEU CA C 9 57.256 57.839 -0.583 1
1 111 . 26 1 1 A 9 9 LEU CB C 9 40.483 41.280 -0.797 1
1 115 . 26 1 1 A 9 9 LEU N N 9 119.134 117.844 1.290 1
1 116 . 26 1 1 A 10 10 THR H H 10 8.186 8.065 0.121 1
1 117 . 26 1 1 A 10 10 THR HA H 10 3.741 3.947 -0.206 1
1 122 . 26 1 1 A 10 10 THR C C 10 176.727 176.162 0.565 1
1 123 . 26 1 1 A 10 10 THR CA C 10 66.345 66.685 -0.340 1
1 124 . 26 1 1 A 10 10 THR CB C 10 67.558 68.803 -1.245 1
1 126 . 26 1 1 A 10 10 THR N N 10 114.355 115.393 -1.038 1
1 127 . 26 1 1 A 11 11 THR H H 11 8.387 8.541 -0.154 1
1 128 . 26 1 1 A 11 11 THR HA H 11 3.963 3.898 0.065 1
1 133 . 26 1 1 A 11 11 THR C C 11 176.827 176.886 -0.059 1
1 134 . 26 1 1 A 11 11 THR CA C 11 65.801 66.793 -0.992 1
1 135 . 26 1 1 A 11 11 THR CB C 11 67.140 68.048 -0.908 1
1 137 . 26 1 1 A 11 11 THR N N 11 120.801 116.240 4.561 1
1 138 . 26 1 1 A 12 12 MET H H 12 8.299 8.136 0.163 1
1 139 . 26 1 1 A 12 12 MET HA H 12 3.872 4.250 -0.378 1
1 147 . 26 1 1 A 12 12 MET C C 12 177.827 178.685 -0.858 1
1 148 . 26 1 1 A 12 12 MET CA C 12 59.263 58.269 0.994 1
1 149 . 26 1 1 A 12 12 MET CB C 12 31.845 32.693 -0.848 1
1 152 . 26 1 1 A 12 12 MET N N 12 124.102 118.638 5.464 1
1 153 . 26 1 1 A 13 13 VAL H H 13 7.820 8.059 -0.239 1
1 154 . 26 1 1 A 13 13 VAL HA H 13 3.937 4.014 -0.077 1
1 162 . 26 1 1 A 13 13 VAL C C 13 177.127 178.590 -1.463 1
1 163 . 26 1 1 A 13 13 VAL CA C 13 65.677 66.264 -0.587 1
1 164 . 26 1 1 A 13 13 VAL CB C 13 31.656 31.616 0.040 1
1 167 . 26 1 1 A 13 13 VAL N N 13 119.838 119.920 -0.082 1
1 168 . 26 1 1 A 14 14 THR H H 14 9.107 8.406 0.701 1
1 169 . 26 1 1 A 14 14 THR HA H 14 3.654 3.950 -0.296 1
1 174 . 26 1 1 A 14 14 THR C C 14 177.527 176.986 0.541 1
1 175 . 26 1 1 A 14 14 THR CA C 14 65.273 66.253 -0.980 1
1 176 . 26 1 1 A 14 14 THR CB C 14 67.652 68.843 -1.191 1
1 178 . 26 1 1 A 14 14 THR N N 14 112.247 117.230 -4.983 1
1 179 . 26 1 1 A 15 15 THR H H 15 8.189 8.310 -0.121 1
1 180 . 26 1 1 A 15 15 THR HA H 15 3.864 4.160 -0.296 1
1 186 . 26 1 1 A 15 15 THR C C 15 173.627 176.687 -3.060 1
1 187 . 26 1 1 A 15 15 THR CA C 15 66.930 65.728 1.202 1
1 188 . 26 1 1 A 15 15 THR CB C 15 66.539 68.563 -2.024 1
1 190 . 26 1 1 A 15 15 THR N N 15 117.691 113.890 3.801 1
1 191 . 26 1 1 A 16 16 PHE H H 16 6.850 8.378 -1.528 1
1 192 . 26 1 1 A 16 16 PHE HA H 16 3.417 4.132 -0.715 1
1 199 . 26 1 1 A 16 16 PHE C C 16 175.627 177.455 -1.828 1
1 200 . 26 1 1 A 16 16 PHE CA C 16 61.577 61.826 -0.249 1
1 201 . 26 1 1 A 16 16 PHE CB C 16 38.177 38.954 -0.777 1
1 202 . 26 1 1 A 16 16 PHE N N 16 120.169 122.783 -2.614 1
1 203 . 26 1 1 A 17 17 HIS H H 17 6.924 8.636 -1.712 1
1 204 . 26 1 1 A 17 17 HIS HA H 17 4.755 4.080 0.675 1
1 207 . 26 1 1 A 17 17 HIS C C 17 176.227 177.418 -1.191 1
1 208 . 26 1 1 A 17 17 HIS CA C 17 56.810 59.991 -3.181 1
1 209 . 26 1 1 A 17 17 HIS CB C 17 29.597 29.692 -0.095 1
1 210 . 26 1 1 A 17 17 HIS N N 17 115.499 117.557 -2.058 1
1 211 . 26 1 1 A 18 18 LYS H H 18 7.888 8.065 -0.177 1
1 212 . 26 1 1 A 18 18 LYS HA H 18 3.870 3.962 -0.092 1
1 221 . 26 1 1 A 18 18 LYS C C 18 176.927 177.819 -0.892 1
1 222 . 26 1 1 A 18 18 LYS CA C 18 57.897 58.851 -0.954 1
1 223 . 26 1 1 A 18 18 LYS CB C 18 31.582 32.045 -0.463 1
1 227 . 26 1 1 A 18 18 LYS N N 18 121.217 119.879 1.338 1
1 228 . 26 1 1 A 19 19 TYR H H 19 6.928 7.330 -0.402 1
1 229 . 26 1 1 A 19 19 TYR HA H 19 4.163 4.413 -0.250 1
1 234 . 26 1 1 A 19 19 TYR C C 19 175.027 178.213 -3.186 1
1 235 . 26 1 1 A 19 19 TYR CA C 19 59.335 60.051 -0.716 1
1 236 . 26 1 1 A 19 19 TYR CB C 19 39.515 39.228 0.287 1
1 237 . 26 1 1 A 19 19 TYR N N 19 114.488 117.990 -3.502 1
1 238 . 26 1 1 A 20 20 SER H H 20 8.021 8.582 -0.561 1
1 239 . 26 1 1 A 20 20 SER HA H 20 3.105 4.120 -1.015 1
1 242 . 26 1 1 A 20 20 SER C C 20 176.527 176.906 -0.379 1
1 243 . 26 1 1 A 20 20 SER CA C 20 60.457 60.879 -0.422 1
1 244 . 26 1 1 A 20 20 SER CB C 20 60.326 62.218 -1.892 1
1 245 . 26 1 1 A 20 20 SER N N 20 112.624 115.399 -2.775 1
1 246 . 26 1 1 A 21 21 GLY H H 21 7.908 8.258 -0.350 1
1 247 . 26 1 1 A 21 21 GLY HA2 H 21 4.197 3.861 0.336 1
1 248 . 26 1 1 A 21 21 GLY HA3 H 21 3.761 3.925 -0.164 1
1 249 . 26 1 1 A 21 21 GLY C C 21 173.027 173.940 -0.913 1
1 250 . 26 1 1 A 21 21 GLY CA C 21 44.357 45.492 -1.135 1
1 251 . 26 1 1 A 21 21 GLY N N 21 112.095 107.160 4.935 1
1 252 . 26 1 1 A 22 22 ARG H H 22 7.470 7.646 -0.176 1
1 253 . 26 1 1 A 22 22 ARG HA H 22 3.956 4.686 -0.730 1
1 260 . 26 1 1 A 22 22 ARG C C 22 176.327 175.484 0.843 1
1 261 . 26 1 1 A 22 22 ARG CA C 22 58.189 54.875 3.314 1
1 262 . 26 1 1 A 22 22 ARG CB C 22 29.483 30.992 -1.509 1
1 265 . 26 1 1 A 22 22 ARG N N 22 122.481 119.472 3.009 1
1 266 . 26 1 1 A 23 23 GLU H H 23 9.412 9.427 -0.015 1
1 267 . 26 1 1 A 23 23 GLU HA H 23 4.626 4.478 0.148 1
1 272 . 26 1 1 A 23 23 GLU C C 23 175.027 175.750 -0.723 1
1 273 . 26 1 1 A 23 23 GLU CA C 23 53.319 57.476 -4.157 1
1 274 . 26 1 1 A 23 23 GLU CB C 23 32.032 28.514 3.518 1
1 276 . 26 1 1 A 23 23 GLU N N 23 116.123 123.378 -7.255 1
1 277 . 26 1 1 A 24 24 GLY H H 24 9.080 8.638 0.442 1
1 278 . 26 1 1 A 24 24 GLY HA2 H 24 3.694 3.864 -0.170 1
1 279 . 26 1 1 A 24 24 GLY HA3 H 24 3.878 3.866 0.012 1
1 280 . 26 1 1 A 24 24 GLY C C 24 172.827 173.601 -0.774 1
1 281 . 26 1 1 A 24 24 GLY CA C 24 44.707 46.095 -1.388 1
1 282 . 26 1 1 A 24 24 GLY N N 24 114.015 110.395 3.620 1
1 283 . 26 1 1 A 25 25 SER H H 25 8.465 8.580 -0.115 1
1 284 . 26 1 1 A 25 25 SER HA H 25 4.312 4.697 -0.385 1
1 287 . 26 1 1 A 25 25 SER C C 25 178.027 175.788 2.239 1
1 288 . 26 1 1 A 25 25 SER CA C 25 57.478 57.664 -0.186 1
1 289 . 26 1 1 A 25 25 SER CB C 25 61.941 64.639 -2.698 1
1 290 . 26 1 1 A 25 25 SER N N 25 117.299 118.627 -1.328 1
1 291 . 26 1 1 A 26 26 LYS H H 26 9.532 8.872 0.660 1
1 292 . 26 1 1 A 26 26 LYS HA H 26 4.660 3.929 0.731 1
1 301 . 26 1 1 A 26 26 LYS C C 26 176.127 176.559 -0.432 1
1 302 . 26 1 1 A 26 26 LYS CA C 26 56.928 58.559 -1.631 1
1 303 . 26 1 1 A 26 26 LYS CB C 26 30.526 31.960 -1.434 1
1 307 . 26 1 1 A 26 26 LYS N N 26 131.209 123.196 8.013 1
1 308 . 26 1 1 A 27 27 LEU H H 27 8.643 7.564 1.079 1
1 309 . 26 1 1 A 27 27 LEU HA H 27 4.583 4.671 -0.088 1
1 319 . 26 1 1 A 27 27 LEU C C 27 174.827 175.802 -0.975 1
1 320 . 26 1 1 A 27 27 LEU CA C 27 53.205 53.967 -0.762 1
1 321 . 26 1 1 A 27 27 LEU CB C 27 41.824 42.666 -0.842 1
1 325 . 26 1 1 A 27 27 LEU N N 27 118.729 113.434 5.295 1
1 326 . 26 1 1 A 28 28 THR H H 28 7.037 7.196 -0.159 1
1 327 . 26 1 1 A 28 28 THR HA H 28 5.168 5.269 -0.101 1
1 332 . 26 1 1 A 28 28 THR C C 28 172.727 172.756 -0.029 1
1 333 . 26 1 1 A 28 28 THR CA C 28 57.915 59.975 -2.060 1
1 334 . 26 1 1 A 28 28 THR CB C 28 71.934 71.463 0.471 1
1 336 . 26 1 1 A 28 28 THR N N 28 104.663 109.614 -4.951 1
1 337 . 26 1 1 A 29 29 LEU H H 29 9.517 8.862 0.655 1
1 338 . 26 1 1 A 29 29 LEU HA H 29 5.196 4.832 0.364 1
1 348 . 26 1 1 A 29 29 LEU C C 29 175.527 176.323 -0.796 1
1 349 . 26 1 1 A 29 29 LEU CA C 29 51.653 53.636 -1.983 1
1 350 . 26 1 1 A 29 29 LEU CB C 29 42.301 42.106 0.195 1
1 354 . 26 1 1 A 29 29 LEU N N 29 125.388 126.291 -0.903 1
1 355 . 26 1 1 A 30 30 SER H H 30 10.053 9.157 0.896 1
1 356 . 26 1 1 A 30 30 SER HA H 30 4.475 4.698 -0.223 1
1 359 . 26 1 1 A 30 30 SER C C 30 173.427 175.542 -2.115 1
1 360 . 26 1 1 A 30 30 SER CA C 30 55.011 58.728 -3.717 1
1 361 . 26 1 1 A 30 30 SER CB C 30 64.446 63.482 0.964 1
1 362 . 26 1 1 A 30 30 SER N N 30 121.114 120.940 0.174 1
1 363 . 26 1 1 A 31 31 ARG H H 31 8.992 8.777 0.215 1
1 364 . 26 1 1 A 31 31 ARG HA H 31 3.923 3.961 -0.038 1
1 371 . 26 1 1 A 31 31 ARG C C 31 177.027 178.003 -0.976 1
1 372 . 26 1 1 A 31 31 ARG CA C 31 59.408 59.572 -0.164 1
1 373 . 26 1 1 A 31 31 ARG CB C 31 29.041 29.959 -0.918 1
1 376 . 26 1 1 A 31 31 ARG N N 31 120.513 125.036 -4.523 1
1 377 . 26 1 1 A 32 32 LYS H H 32 7.845 8.016 -0.171 1
1 378 . 26 1 1 A 32 32 LYS HA H 32 3.826 4.132 -0.306 1
1 387 . 26 1 1 A 32 32 LYS C C 32 178.927 178.778 0.149 1
1 388 . 26 1 1 A 32 32 LYS CA C 32 58.677 59.334 -0.657 1
1 389 . 26 1 1 A 32 32 LYS CB C 32 31.964 32.536 -0.572 1
1 393 . 26 1 1 A 32 32 LYS N N 32 117.011 119.294 -2.283 1
1 394 . 26 1 1 A 33 33 GLU H H 33 7.612 8.118 -0.506 1
1 395 . 26 1 1 A 33 33 GLU HA H 33 3.954 4.121 -0.167 1
1 400 . 26 1 1 A 33 33 GLU C C 33 177.227 178.995 -1.768 1
1 401 . 26 1 1 A 33 33 GLU CA C 33 58.289 59.034 -0.745 1
1 402 . 26 1 1 A 33 33 GLU CB C 33 29.757 29.272 0.485 1
1 404 . 26 1 1 A 33 33 GLU N N 33 120.815 120.476 0.339 1
1 405 . 26 1 1 A 34 34 LEU H H 34 8.694 8.030 0.664 1
1 406 . 26 1 1 A 34 34 LEU HA H 34 3.811 3.994 -0.183 1
1 416 . 26 1 1 A 34 34 LEU C C 34 176.927 178.469 -1.542 1
1 417 . 26 1 1 A 34 34 LEU CA C 34 57.025 57.866 -0.841 1
1 418 . 26 1 1 A 34 34 LEU CB C 34 40.638 41.668 -1.030 1
1 422 . 26 1 1 A 34 34 LEU N N 34 119.291 121.652 -2.361 1
1 423 . 26 1 1 A 35 35 LYS H H 35 8.114 8.009 0.105 1
1 424 . 26 1 1 A 35 35 LYS HA H 35 3.569 3.849 -0.280 1
1 433 . 26 1 1 A 35 35 LYS C C 35 177.027 178.911 -1.884 1
1 434 . 26 1 1 A 35 35 LYS CA C 35 59.419 59.721 -0.302 1
1 435 . 26 1 1 A 35 35 LYS CB C 35 31.271 32.229 -0.958 1
1 439 . 26 1 1 A 35 35 LYS N N 35 117.277 118.987 -1.710 1
1 440 . 26 1 1 A 36 36 GLU H H 36 7.560 7.583 -0.023 1
1 441 . 26 1 1 A 36 36 GLU HA H 36 3.845 4.200 -0.355 1
1 446 . 26 1 1 A 36 36 GLU C C 36 175.827 178.483 -2.656 1
1 447 . 26 1 1 A 36 36 GLU CA C 36 58.190 58.079 0.111 1
1 448 . 26 1 1 A 36 36 GLU CB C 36 28.253 29.582 -1.329 1
1 450 . 26 1 1 A 36 36 GLU N N 36 119.302 118.757 0.545 1
1 451 . 26 1 1 A 37 37 LEU H H 37 7.682 7.498 0.184 1
1 452 . 26 1 1 A 37 37 LEU HA H 37 2.280 2.937 -0.657 1
1 462 . 26 1 1 A 37 37 LEU C C 37 178.327 178.308 0.019 1
1 463 . 26 1 1 A 37 37 LEU CA C 37 58.225 57.675 0.550 1
1 464 . 26 1 1 A 37 37 LEU CB C 37 41.090 41.500 -0.410 1
1 468 . 26 1 1 A 37 37 LEU N N 37 121.690 121.140 0.550 1
1 469 . 26 1 1 A 38 38 ILE H H 38 8.157 8.189 -0.032 1
1 470 . 26 1 1 A 38 38 ILE HA H 38 3.292 3.639 -0.347 1
1 480 . 26 1 1 A 38 38 ILE C C 38 177.027 178.373 -1.346 1
1 481 . 26 1 1 A 38 38 ILE CA C 38 65.007 65.499 -0.492 1
1 482 . 26 1 1 A 38 38 ILE CB C 38 37.187 37.548 -0.361 1
1 486 . 26 1 1 A 38 38 ILE N N 38 117.626 119.526 -1.900 1
1 487 . 26 1 1 A 39 39 LYS H H 39 8.068 7.609 0.459 1
1 488 . 26 1 1 A 39 39 LYS HA H 39 3.876 4.194 -0.318 1
1 497 . 26 1 1 A 39 39 LYS C C 39 177.927 177.351 0.576 1
1 498 . 26 1 1 A 39 39 LYS CA C 39 58.204 58.617 -0.413 1
1 499 . 26 1 1 A 39 39 LYS CB C 39 31.731 32.274 -0.543 1
1 503 . 26 1 1 A 39 39 LYS N N 39 117.909 119.818 -1.909 1
1 504 . 26 1 1 A 40 40 LYS H H 40 8.094 7.944 0.150 1
1 505 . 26 1 1 A 40 40 LYS HA H 40 4.248 4.496 -0.248 1
1 514 . 26 1 1 A 40 40 LYS C C 40 178.227 178.181 0.046 1
1 515 . 26 1 1 A 40 40 LYS CA C 40 56.291 56.364 -0.073 1
1 516 . 26 1 1 A 40 40 LYS CB C 40 32.652 33.376 -0.724 1
1 520 . 26 1 1 A 40 40 LYS N N 40 114.323 117.467 -3.144 1
1 521 . 26 1 1 A 41 41 GLU H H 41 8.381 7.923 0.458 1
1 522 . 26 1 1 A 41 41 GLU HA H 41 4.744 4.306 0.438 1
1 527 . 26 1 1 A 41 41 GLU C C 41 176.227 176.758 -0.531 1
1 528 . 26 1 1 A 41 41 GLU CA C 41 55.054 58.864 -3.810 1
1 529 . 26 1 1 A 41 41 GLU CB C 41 29.598 30.196 -0.598 1
1 531 . 26 1 1 A 41 41 GLU N N 41 113.079 117.355 -4.276 1
1 532 . 26 1 1 A 42 42 LEU H H 42 7.544 7.646 -0.102 1
1 533 . 26 1 1 A 42 42 LEU HA H 42 4.754 4.966 -0.212 1
1 542 . 26 1 1 A 42 42 LEU CA C 42 52.564 53.156 -0.592 1
1 543 . 26 1 1 A 42 42 LEU CB C 42 43.848 46.065 -2.217 1
1 546 . 26 1 1 A 42 42 LEU N N 42 118.458 119.113 -0.655 1
1 547 . 26 1 1 A 43 43 CYS H H 43 8.342 8.678 -0.336 1
1 548 . 26 1 1 A 43 43 CYS HA H 43 4.486 4.757 -0.271 1
1 551 . 26 1 1 A 43 43 CYS C C 43 174.327 174.777 -0.450 1
1 552 . 26 1 1 A 43 43 CYS CA C 43 57.655 58.409 -0.754 1
1 553 . 26 1 1 A 43 43 CYS CB C 43 25.653 29.467 -3.814 1
1 554 . 26 1 1 A 44 44 LEU H H 44 8.123 7.689 0.434 1
1 555 . 26 1 1 A 44 44 LEU HA H 44 4.339 4.287 0.052 1
1 565 . 26 1 1 A 44 44 LEU C C 44 176.927 178.026 -1.099 1
1 566 . 26 1 1 A 44 44 LEU CA C 44 53.750 54.473 -0.723 1
1 567 . 26 1 1 A 44 44 LEU CB C 44 40.784 41.118 -0.334 1
1 571 . 26 1 1 A 44 44 LEU N N 44 121.974 119.736 2.238 1
1 572 . 26 1 1 A 45 45 GLY H H 45 8.072 8.089 -0.017 1
1 573 . 26 1 1 A 45 45 GLY HA2 H 45 3.889 3.958 -0.069 1
1 574 . 26 1 1 A 45 45 GLY HA3 H 45 3.698 4.005 -0.307 1
1 575 . 26 1 1 A 45 45 GLY C C 45 173.127 174.987 -1.860 1
1 576 . 26 1 1 A 45 45 GLY CA C 45 44.291 45.573 -1.282 1
1 577 . 26 1 1 A 45 45 GLY N N 45 107.819 109.458 -1.639 1
1 578 . 26 1 1 A 46 46 GLU H H 46 8.472 8.306 0.166 1
1 579 . 26 1 1 A 46 46 GLU HA H 46 4.048 4.087 -0.039 1
1 584 . 26 1 1 A 46 46 GLU C C 46 175.727 177.800 -2.073 1
1 585 . 26 1 1 A 46 46 GLU CA C 46 56.461 58.962 -2.501 1
1 586 . 26 1 1 A 46 46 GLU CB C 46 28.208 29.688 -1.480 1
1 588 . 26 1 1 A 46 46 GLU N N 46 120.563 121.360 -0.797 1
1 589 . 26 1 1 A 47 47 MET H H 47 8.189 7.879 0.310 1
1 590 . 26 1 1 A 47 47 MET HA H 47 4.413 4.508 -0.095 1
1 598 . 26 1 1 A 47 47 MET C C 47 175.027 175.045 -0.018 1
1 599 . 26 1 1 A 47 47 MET CA C 47 53.905 54.235 -0.330 1
1 600 . 26 1 1 A 47 47 MET CB C 47 32.611 30.961 1.650 1
1 603 . 26 1 1 A 47 47 MET N N 47 123.201 118.906 4.295 1
1 604 . 26 1 1 A 48 48 LYS H H 48 8.355 7.934 0.421 1
1 605 . 26 1 1 A 48 48 LYS HA H 48 4.237 4.373 -0.136 1
1 614 . 26 1 1 A 48 48 LYS C C 48 177.027 177.946 -0.919 1
1 615 . 26 1 1 A 48 48 LYS CA C 48 55.443 55.986 -0.543 1
1 616 . 26 1 1 A 48 48 LYS CB C 48 32.173 33.376 -1.203 1
1 620 . 26 1 1 A 48 48 LYS N N 48 123.046 125.602 -2.556 1
1 621 . 26 1 1 A 49 49 GLU H H 49 8.742 8.940 -0.198 1
1 622 . 26 1 1 A 49 49 GLU HA H 49 3.884 3.991 -0.107 1
1 627 . 26 1 1 A 49 49 GLU C C 49 177.727 178.345 -0.618 1
1 628 . 26 1 1 A 49 49 GLU CA C 49 58.534 59.206 -0.672 1
1 629 . 26 1 1 A 49 49 GLU CB C 49 27.870 29.200 -1.330 1
1 631 . 26 1 1 A 49 49 GLU N N 49 122.407 121.834 0.573 1
1 632 . 26 1 1 A 50 50 SER H H 50 8.324 7.896 0.428 1
1 633 . 26 1 1 A 50 50 SER HA H 50 4.188 4.173 0.015 1
1 636 . 26 1 1 A 50 50 SER C C 50 175.427 177.464 -2.037 1
1 637 . 26 1 1 A 50 50 SER CA C 50 59.402 61.380 -1.978 1
1 638 . 26 1 1 A 50 50 SER CB C 50 61.442 62.760 -1.318 1
1 639 . 26 1 1 A 50 50 SER N N 50 112.475 115.705 -3.230 1
1 640 . 26 1 1 A 51 51 SER H H 51 7.400 7.967 -0.567 1
1 641 . 26 1 1 A 51 51 SER HA H 51 3.926 4.169 -0.243 1
1 644 . 26 1 1 A 51 51 SER C C 51 176.027 176.213 -0.186 1
1 645 . 26 1 1 A 51 51 SER CA C 51 59.762 62.185 -2.423 1
1 646 . 26 1 1 A 51 51 SER CB C 51 60.955 62.802 -1.847 1
1 647 . 26 1 1 A 51 51 SER N N 51 118.432 116.640 1.792 1
1 648 . 26 1 1 A 52 52 ILE H H 52 7.790 7.927 -0.137 1
1 649 . 26 1 1 A 52 52 ILE HA H 52 3.642 3.660 -0.018 1
1 659 . 26 1 1 A 52 52 ILE C C 52 176.427 177.947 -1.520 1
1 660 . 26 1 1 A 52 52 ILE CA C 52 61.984 64.783 -2.799 1
1 661 . 26 1 1 A 52 52 ILE CB C 52 34.990 37.306 -2.316 1
1 665 . 26 1 1 A 52 52 ILE N N 52 123.838 121.496 2.342 1
1 666 . 26 1 1 A 53 53 ASP H H 53 8.092 7.729 0.363 1
1 667 . 26 1 1 A 53 53 ASP HA H 53 4.225 4.359 -0.134 1
1 670 . 26 1 1 A 53 53 ASP C C 53 178.227 178.366 -0.139 1
1 671 . 26 1 1 A 53 53 ASP CA C 53 56.606 56.839 -0.233 1
1 672 . 26 1 1 A 53 53 ASP CB C 53 39.034 40.258 -1.224 1
1 673 . 26 1 1 A 53 53 ASP N N 53 121.313 121.756 -0.443 1
1 674 . 26 1 1 A 54 54 ASP H H 54 7.811 8.035 -0.224 1
1 675 . 26 1 1 A 54 54 ASP HA H 54 4.253 4.376 -0.123 1
1 678 . 26 1 1 A 54 54 ASP C C 54 177.927 178.194 -0.267 1
1 679 . 26 1 1 A 54 54 ASP CA C 54 56.467 57.090 -0.623 1
1 680 . 26 1 1 A 54 54 ASP CB C 54 39.401 40.891 -1.490 1
1 681 . 26 1 1 A 54 54 ASP N N 54 120.122 119.470 0.652 1
1 682 . 26 1 1 A 55 55 LEU H H 55 7.789 7.910 -0.121 1
1 683 . 26 1 1 A 55 55 LEU HA H 55 3.979 4.057 -0.078 1
1 693 . 26 1 1 A 55 55 LEU C C 55 178.027 178.465 -0.438 1
1 694 . 26 1 1 A 55 55 LEU CA C 55 56.713 58.111 -1.398 1
1 695 . 26 1 1 A 55 55 LEU CB C 55 40.799 40.978 -0.179 1
1 699 . 26 1 1 A 55 55 LEU N N 55 122.944 120.646 2.298 1
1 700 . 26 1 1 A 56 56 MET H H 56 8.601 8.686 -0.085 1
1 701 . 26 1 1 A 56 56 MET HA H 56 3.827 4.032 -0.205 1
1 709 . 26 1 1 A 56 56 MET C C 56 177.027 178.114 -1.087 1
1 710 . 26 1 1 A 56 56 MET CA C 56 57.116 58.537 -1.421 1
1 711 . 26 1 1 A 56 56 MET CB C 56 29.825 31.790 -1.965 1
1 714 . 26 1 1 A 56 56 MET N N 56 117.863 119.481 -1.618 1
1 715 . 26 1 1 A 57 57 LYS H H 57 7.693 7.973 -0.280 1
1 716 . 26 1 1 A 57 57 LYS HA H 57 3.954 4.065 -0.111 1
1 725 . 26 1 1 A 57 57 LYS C C 57 178.127 178.225 -0.098 1
1 726 . 26 1 1 A 57 57 LYS CA C 57 58.352 58.832 -0.480 1
1 727 . 26 1 1 A 57 57 LYS CB C 57 31.315 32.022 -0.707 1
1 731 . 26 1 1 A 57 57 LYS N N 57 116.455 120.389 -3.934 1
1 732 . 26 1 1 A 58 58 SER H H 58 7.661 7.647 0.014 1
1 733 . 26 1 1 A 58 58 SER HA H 58 4.115 4.391 -0.276 1
1 736 . 26 1 1 A 58 58 SER C C 58 174.827 177.081 -2.254 1
1 737 . 26 1 1 A 58 58 SER CA C 58 59.986 61.087 -1.101 1
1 738 . 26 1 1 A 58 58 SER CB C 58 62.464 63.225 -0.761 1
1 739 . 26 1 1 A 58 58 SER N N 58 113.020 114.569 -1.549 1
1 740 . 26 1 1 A 59 59 LEU H H 59 7.917 8.053 -0.136 1
1 741 . 26 1 1 A 59 59 LEU HA H 59 4.269 3.988 0.281 1
1 751 . 26 1 1 A 59 59 LEU C C 59 177.627 177.567 0.060 1
1 752 . 26 1 1 A 59 59 LEU CA C 59 54.402 57.954 -3.552 1
1 753 . 26 1 1 A 59 59 LEU CB C 59 43.731 41.130 2.601 1
1 757 . 26 1 1 A 59 59 LEU N N 59 117.463 120.739 -3.276 1
1 758 . 26 1 1 A 60 60 ASP H H 60 8.025 8.325 -0.300 1
1 759 . 26 1 1 A 60 60 ASP HA H 60 4.566 4.739 -0.173 1
1 762 . 26 1 1 A 60 60 ASP C C 60 176.627 176.712 -0.085 1
1 763 . 26 1 1 A 60 60 ASP CA C 60 52.335 52.547 -0.212 1
1 764 . 26 1 1 A 60 60 ASP CB C 60 38.139 39.976 -1.837 1
1 765 . 26 1 1 A 60 60 ASP N N 60 117.588 118.011 -0.423 1
1 766 . 26 1 1 A 61 61 LYS H H 61 8.100 8.201 -0.101 1
1 767 . 26 1 1 A 61 61 LYS HA H 61 4.035 4.112 -0.077 1
1 776 . 26 1 1 A 61 61 LYS C C 61 176.727 177.600 -0.873 1
1 777 . 26 1 1 A 61 61 LYS CA C 61 56.887 58.824 -1.937 1
1 778 . 26 1 1 A 61 61 LYS CB C 61 31.653 32.209 -0.556 1
1 782 . 26 1 1 A 61 61 LYS N N 61 126.943 125.411 1.532 1
1 783 . 26 1 1 A 62 62 ASN H H 62 7.864 7.989 -0.125 1
1 784 . 26 1 1 A 62 62 ASN HA H 62 4.759 4.693 0.066 1
1 789 . 26 1 1 A 62 62 ASN C C 62 173.727 175.050 -1.323 1
1 790 . 26 1 1 A 62 62 ASN CA C 62 50.660 52.174 -1.514 1
1 791 . 26 1 1 A 62 62 ASN CB C 62 35.920 38.010 -2.090 1
1 792 . 26 1 1 A 62 62 ASN N N 62 113.588 114.487 -0.899 1
1 794 . 26 1 1 A 63 63 SER H H 63 7.613 8.309 -0.696 1
1 795 . 26 1 1 A 63 63 SER HA H 63 3.962 4.429 -0.467 1
1 798 . 26 1 1 A 63 63 SER C C 63 172.927 174.302 -1.375 1
1 799 . 26 1 1 A 63 63 SER CA C 63 58.262 59.331 -1.069 1
1 800 . 26 1 1 A 63 63 SER CB C 63 60.708 61.485 -0.777 1
1 801 . 26 1 1 A 63 63 SER N N 63 111.592 111.594 -0.002 1
1 802 . 26 1 1 A 64 64 ASP H H 64 8.217 7.984 0.233 1
1 803 . 26 1 1 A 64 64 ASP HA H 64 4.653 4.506 0.147 1
1 806 . 26 1 1 A 64 64 ASP C C 64 175.927 176.451 -0.524 1
1 807 . 26 1 1 A 64 64 ASP CA C 64 51.641 54.175 -2.534 1
1 808 . 26 1 1 A 64 64 ASP CB C 64 39.385 40.884 -1.499 1
1 809 . 26 1 1 A 64 64 ASP N N 64 118.913 119.578 -0.665 1
1 810 . 26 1 1 A 65 65 GLN H H 65 10.239 7.887 2.352 1
1 811 . 26 1 1 A 65 65 GLN HA H 65 3.356 3.945 -0.589 1
1 818 . 26 1 1 A 65 65 GLN C C 65 172.627 174.645 -2.018 1
1 819 . 26 1 1 A 65 65 GLN CA C 65 56.325 57.508 -1.183 1
1 820 . 26 1 1 A 65 65 GLN CB C 65 24.910 26.591 -1.681 1
1 822 . 26 1 1 A 65 65 GLN N N 65 114.908 114.270 0.638 1
1 824 . 26 1 1 A 66 66 GLU H H 66 7.710 7.881 -0.171 1
1 825 . 26 1 1 A 66 66 GLU HA H 66 4.691 4.639 0.052 1
1 830 . 26 1 1 A 66 66 GLU C C 66 174.127 175.214 -1.087 1
1 831 . 26 1 1 A 66 66 GLU CA C 66 52.987 55.308 -2.321 1
1 832 . 26 1 1 A 66 66 GLU CB C 66 32.433 31.270 1.163 1
1 834 . 26 1 1 A 66 66 GLU N N 66 115.721 118.676 -2.955 1
1 835 . 26 1 1 A 67 67 ILE H H 67 9.938 9.230 0.708 1
1 836 . 26 1 1 A 67 67 ILE HA H 67 5.291 4.883 0.408 1
1 846 . 26 1 1 A 67 67 ILE C C 67 175.627 175.133 0.494 1
1 847 . 26 1 1 A 67 67 ILE CA C 67 56.241 60.458 -4.217 1
1 848 . 26 1 1 A 67 67 ILE CB C 67 35.492 37.992 -2.500 1
1 852 . 26 1 1 A 67 67 ILE N N 67 125.901 125.692 0.209 1
1 853 . 26 1 1 A 68 68 ASP H H 68 8.794 8.792 0.002 1
1 854 . 26 1 1 A 68 68 ASP HA H 68 5.002 4.723 0.279 1
1 857 . 26 1 1 A 68 68 ASP C C 68 174.427 177.335 -2.908 1
1 858 . 26 1 1 A 68 68 ASP CA C 68 51.563 54.432 -2.869 1
1 859 . 26 1 1 A 68 68 ASP CB C 68 40.493 42.673 -2.180 1
1 860 . 26 1 1 A 68 68 ASP N N 68 127.844 128.385 -0.541 1
1 861 . 26 1 1 A 69 69 PHE H H 69 9.068 8.839 0.229 1
1 862 . 26 1 1 A 69 69 PHE HA H 69 3.130 4.103 -0.973 1
1 869 . 26 1 1 A 69 69 PHE C C 69 176.827 177.628 -0.801 1
1 870 . 26 1 1 A 69 69 PHE CA C 69 62.478 61.178 1.300 1
1 871 . 26 1 1 A 69 69 PHE CB C 69 38.096 38.718 -0.622 1
1 872 . 26 1 1 A 69 69 PHE N N 69 118.955 125.287 -6.332 1
1 873 . 26 1 1 A 70 70 LYS H H 70 8.123 8.282 -0.159 1
1 874 . 26 1 1 A 70 70 LYS HA H 70 3.871 4.241 -0.370 1
1 883 . 26 1 1 A 70 70 LYS C C 70 179.527 178.524 1.003 1
1 884 . 26 1 1 A 70 70 LYS CA C 70 59.457 58.397 1.060 1
1 885 . 26 1 1 A 70 70 LYS CB C 70 30.772 31.729 -0.957 1
1 889 . 26 1 1 A 70 70 LYS N N 70 120.287 117.290 2.997 1
1 890 . 26 1 1 A 71 71 GLU H H 71 8.746 8.273 0.473 1
1 891 . 26 1 1 A 71 71 GLU HA H 71 4.099 4.154 -0.055 1
1 896 . 26 1 1 A 71 71 GLU C C 71 179.127 178.855 0.272 1
1 897 . 26 1 1 A 71 71 GLU CA C 71 57.934 58.949 -1.015 1
1 898 . 26 1 1 A 71 71 GLU CB C 71 29.266 30.192 -0.926 1
1 900 . 26 1 1 A 71 71 GLU N N 71 122.207 118.834 3.373 1
1 901 . 26 1 1 A 72 72 TYR H H 72 8.879 8.641 0.238 1
1 902 . 26 1 1 A 72 72 TYR HA H 72 4.010 4.276 -0.266 1
1 909 . 26 1 1 A 72 72 TYR C C 72 175.927 178.242 -2.315 1
1 910 . 26 1 1 A 72 72 TYR CA C 72 58.551 61.730 -3.179 1
1 911 . 26 1 1 A 72 72 TYR CB C 72 38.072 38.798 -0.726 1
1 912 . 26 1 1 A 72 72 TYR N N 72 121.813 122.212 -0.399 1
1 913 . 26 1 1 A 73 73 SER H H 73 8.414 8.383 0.031 1
1 914 . 26 1 1 A 73 73 SER HA H 73 3.462 4.238 -0.776 1
1 917 . 26 1 1 A 73 73 SER C C 73 175.127 176.740 -1.613 1
1 918 . 26 1 1 A 73 73 SER CA C 73 61.876 61.509 0.367 1
1 919 . 26 1 1 A 73 73 SER CB C 73 61.327 62.999 -1.672 1
1 920 . 26 1 1 A 73 73 SER N N 73 117.840 114.865 2.975 1
1 921 . 26 1 1 A 74 74 VAL H H 74 7.363 7.661 -0.298 1
1 922 . 26 1 1 A 74 74 VAL HA H 74 3.584 3.770 -0.186 1
1 930 . 26 1 1 A 74 74 VAL C C 74 178.027 177.694 0.333 1
1 931 . 26 1 1 A 74 74 VAL CA C 74 65.397 64.872 0.525 1
1 932 . 26 1 1 A 74 74 VAL CB C 74 30.300 31.416 -1.116 1
1 935 . 26 1 1 A 74 74 VAL N N 74 123.439 121.988 1.451 1
1 936 . 26 1 1 A 75 75 PHE H H 75 7.282 7.804 -0.522 1
1 937 . 26 1 1 A 75 75 PHE HA H 75 4.562 4.088 0.474 1
1 945 . 26 1 1 A 75 75 PHE C C 75 176.127 177.286 -1.159 1
1 946 . 26 1 1 A 75 75 PHE CA C 75 57.851 61.247 -3.396 1
1 947 . 26 1 1 A 75 75 PHE CB C 75 36.863 39.130 -2.267 1
1 948 . 26 1 1 A 75 75 PHE N N 75 122.766 122.804 -0.038 1
1 949 . 26 1 1 A 76 76 LEU H H 76 7.823 7.654 0.169 1
1 950 . 26 1 1 A 76 76 LEU HA H 76 3.445 3.496 -0.051 1
1 960 . 26 1 1 A 76 76 LEU C C 76 178.927 178.721 0.206 1
1 961 . 26 1 1 A 76 76 LEU CA C 76 56.891 57.374 -0.483 1
1 962 . 26 1 1 A 76 76 LEU CB C 76 39.917 40.854 -0.937 1
1 966 . 26 1 1 A 76 76 LEU N N 76 115.619 118.401 -2.782 1
1 967 . 26 1 1 A 77 77 THR H H 77 7.858 7.882 -0.024 1
1 968 . 26 1 1 A 77 77 THR HA H 77 3.665 3.778 -0.113 1
1 974 . 26 1 1 A 77 77 THR C C 77 175.427 176.701 -1.274 1
1 975 . 26 1 1 A 77 77 THR CA C 77 66.127 66.653 -0.526 1
1 976 . 26 1 1 A 77 77 THR CB C 77 67.585 68.508 -0.923 1
1 978 . 26 1 1 A 77 77 THR N N 77 113.417 115.027 -1.610 1
1 979 . 26 1 1 A 78 78 MET H H 78 7.970 7.961 0.009 1
1 980 . 26 1 1 A 78 78 MET HA H 78 3.935 3.986 -0.051 1
1 988 . 26 1 1 A 78 78 MET C C 78 179.127 178.707 0.420 1
1 989 . 26 1 1 A 78 78 MET CA C 78 58.780 58.865 -0.085 1
1 990 . 26 1 1 A 78 78 MET CB C 78 31.501 32.731 -1.230 1
1 993 . 26 1 1 A 78 78 MET N N 78 122.745 118.279 4.466 1
1 994 . 26 1 1 A 79 79 LEU H H 79 7.898 8.152 -0.254 1
1 995 . 26 1 1 A 79 79 LEU HA H 79 3.870 3.538 0.332 1
1 1005 . 26 1 1 A 79 79 LEU C C 79 178.427 178.326 0.101 1
1 1006 . 26 1 1 A 79 79 LEU CA C 79 56.843 57.673 -0.830 1
1 1007 . 26 1 1 A 79 79 LEU CB C 79 41.099 41.310 -0.211 1
1 1011 . 26 1 1 A 79 79 LEU N N 79 120.989 119.406 1.583 1
1 1012 . 26 1 1 A 80 80 CYS H H 80 8.400 8.325 0.075 1
1 1013 . 26 1 1 A 80 80 CYS HA H 80 3.830 4.176 -0.346 1
1 1017 . 26 1 1 A 80 80 CYS C C 80 175.927 177.415 -1.488 1
1 1018 . 26 1 1 A 80 80 CYS CA C 80 64.044 62.690 1.354 1
1 1019 . 26 1 1 A 80 80 CYS CB C 80 25.626 26.596 -0.970 1
1 1020 . 26 1 1 A 80 80 CYS N N 80 117.746 116.420 1.326 1
1 1021 . 26 1 1 A 81 81 MET H H 81 8.295 8.592 -0.297 1
1 1022 . 26 1 1 A 81 81 MET HA H 81 4.023 4.107 -0.084 1
1 1030 . 26 1 1 A 81 81 MET C C 81 177.327 178.038 -0.711 1
1 1031 . 26 1 1 A 81 81 MET CA C 81 57.601 58.776 -1.175 1
1 1032 . 26 1 1 A 81 81 MET CB C 81 30.668 32.635 -1.967 1
1 1035 . 26 1 1 A 81 81 MET N N 81 117.598 119.889 -2.291 1
1 1036 . 26 1 1 A 82 82 ALA H H 82 7.624 7.964 -0.340 1
1 1037 . 26 1 1 A 82 82 ALA HA H 82 4.061 4.068 -0.007 1
1 1041 . 26 1 1 A 82 82 ALA C C 82 179.627 179.853 -0.226 1
1 1042 . 26 1 1 A 82 82 ALA CA C 82 53.856 55.120 -1.264 1
1 1043 . 26 1 1 A 82 82 ALA CB C 82 16.794 18.112 -1.318 1
1 1044 . 26 1 1 A 82 82 ALA N N 82 121.886 120.951 0.935 1
1 1045 . 26 1 1 A 83 83 TYR H H 83 8.476 7.859 0.617 1
1 1046 . 26 1 1 A 83 83 TYR HA H 83 4.147 4.323 -0.176 1
1 1053 . 26 1 1 A 83 83 TYR C C 83 178.127 178.309 -0.182 1
1 1054 . 26 1 1 A 83 83 TYR CA C 83 60.066 61.658 -1.592 1
1 1055 . 26 1 1 A 83 83 TYR CB C 83 36.546 37.411 -0.865 1
1 1056 . 26 1 1 A 83 83 TYR N N 83 119.136 116.332 2.804 1
1 1057 . 26 1 1 A 84 84 ASN H H 84 8.386 8.403 -0.017 1
1 1058 . 26 1 1 A 84 84 ASN HA H 84 4.221 4.478 -0.257 1
1 1063 . 26 1 1 A 84 84 ASN C C 84 175.427 177.333 -1.906 1
1 1064 . 26 1 1 A 84 84 ASN CA C 84 56.123 56.916 -0.793 1
1 1065 . 26 1 1 A 84 84 ASN CB C 84 37.387 38.654 -1.267 1
1 1066 . 26 1 1 A 84 84 ASN N N 84 120.692 119.240 1.452 1
1 1068 . 26 1 1 A 85 85 ASP H H 85 7.611 7.775 -0.164 1
1 1069 . 26 1 1 A 85 85 ASP HA H 85 4.234 4.460 -0.226 1
1 1072 . 26 1 1 A 85 85 ASP C C 85 178.227 178.605 -0.378 1
1 1073 . 26 1 1 A 85 85 ASP CA C 85 56.752 57.198 -0.446 1
1 1074 . 26 1 1 A 85 85 ASP CB C 85 38.688 40.610 -1.922 1
1 1075 . 26 1 1 A 85 85 ASP N N 85 118.378 119.953 -1.575 1
1 1076 . 26 1 1 A 86 86 PHE H H 86 7.538 8.329 -0.791 1
1 1077 . 26 1 1 A 86 86 PHE HA H 86 4.291 4.274 0.017 1
1 1084 . 26 1 1 A 86 86 PHE C C 86 176.627 177.672 -1.045 1
1 1085 . 26 1 1 A 86 86 PHE CA C 86 58.743 61.431 -2.688 1
1 1086 . 26 1 1 A 86 86 PHE CB C 86 37.488 38.945 -1.457 1
1 1087 . 26 1 1 A 86 86 PHE N N 86 118.712 120.766 -2.054 1
1 1088 . 26 1 1 A 87 87 PHE H H 87 8.132 8.425 -0.293 1
1 1089 . 26 1 1 A 87 87 PHE HA H 87 3.906 4.205 -0.299 1
1 1096 . 26 1 1 A 87 87 PHE C C 87 176.627 177.071 -0.444 1
1 1097 . 26 1 1 A 87 87 PHE CA C 87 59.554 61.773 -2.219 1
1 1098 . 26 1 1 A 87 87 PHE CB C 87 38.017 39.497 -1.480 1
1 1099 . 26 1 1 A 87 87 PHE N N 87 121.649 120.572 1.077 1
1 1100 . 26 1 1 A 88 88 LEU H H 88 7.953 7.968 -0.015 1
1 1101 . 26 1 1 A 88 88 LEU HA H 88 3.775 3.933 -0.158 1
1 1111 . 26 1 1 A 88 88 LEU C C 88 177.627 178.409 -0.782 1
1 1112 . 26 1 1 A 88 88 LEU CA C 88 55.078 57.287 -2.209 1
1 1113 . 26 1 1 A 88 88 LEU CB C 88 41.226 41.558 -0.332 1
1 1117 . 26 1 1 A 88 88 LEU N N 88 118.897 119.056 -0.159 1
1 1118 . 26 1 1 A 89 89 GLU H H 89 7.475 7.978 -0.503 1
1 1119 . 26 1 1 A 89 89 GLU HA H 89 3.914 4.102 -0.188 1
1 1124 . 26 1 1 A 89 89 GLU C C 89 176.127 176.937 -0.810 1
1 1125 . 26 1 1 A 89 89 GLU CA C 89 56.926 57.776 -0.850 1
1 1126 . 26 1 1 A 89 89 GLU CB C 89 28.567 29.848 -1.281 1
1 1128 . 26 1 1 A 89 89 GLU N N 89 119.332 119.402 -0.070 1
1 1129 . 26 1 1 A 90 90 ASP H H 90 7.750 8.033 -0.283 1
1 1130 . 26 1 1 A 90 90 ASP HA H 90 4.370 4.679 -0.309 1
1 1133 . 26 1 1 A 90 90 ASP C C 90 175.227 177.242 -2.015 1
1 1134 . 26 1 1 A 90 90 ASP CA C 90 53.593 55.896 -2.303 1
1 1135 . 26 1 1 A 90 90 ASP CB C 90 40.323 41.173 -0.850 1
1 1136 . 26 1 1 A 90 90 ASP N N 90 118.945 120.313 -1.368 1
1 1137 . 26 1 1 A 91 91 ASN H H 91 7.681 7.310 0.371 1
1 1138 . 26 1 1 A 91 91 ASN HA H 91 4.495 4.794 -0.299 1
1 1143 . 26 1 1 A 91 91 ASN C C 91 173.027 174.547 -1.520 1
1 1144 . 26 1 1 A 91 91 ASN CA C 91 52.041 52.857 -0.816 1
1 1145 . 26 1 1 A 91 91 ASN CB C 91 38.072 38.472 -0.400 1
1 1146 . 26 1 1 A 91 91 ASN N N 91 118.171 114.908 3.263 1
1 10 . 27 1 1 A 2 2 GLU H H 2 8.776 7.999 0.777 1
1 11 . 27 1 1 A 2 2 GLU HA H 2 4.535 3.878 0.657 1
1 16 . 27 1 1 A 2 2 GLU C C 2 175.627 175.250 0.377 1
1 17 . 27 1 1 A 2 2 GLU CA C 2 55.573 59.099 -3.526 1
1 18 . 27 1 1 A 2 2 GLU CB C 2 30.569 28.174 2.395 1
1 20 . 27 1 1 A 2 2 GLU N N 2 124.305 118.018 6.287 1
1 21 . 27 1 1 A 3 3 THR H H 3 8.835 7.671 1.164 1
1 22 . 27 1 1 A 3 3 THR HA H 3 4.608 4.838 -0.230 1
1 27 . 27 1 1 A 3 3 THR CA C 3 59.187 59.054 0.133 1
1 28 . 27 1 1 A 3 3 THR CB C 3 67.385 71.498 -4.113 1
1 30 . 27 1 1 A 3 3 THR N N 3 116.176 109.830 6.346 1
1 31 . 27 1 1 A 4 4 PRO HA H 4 4.158 4.414 -0.256 1
1 38 . 27 1 1 A 4 4 PRO C C 4 179.327 177.681 1.646 1
1 39 . 27 1 1 A 4 4 PRO CA C 4 65.040 65.020 0.020 1
1 40 . 27 1 1 A 4 4 PRO CB C 4 30.616 31.912 -1.296 1
1 43 . 27 1 1 A 5 5 LEU H H 5 8.794 7.700 1.094 1
1 44 . 27 1 1 A 5 5 LEU HA H 5 3.944 4.038 -0.094 1
1 54 . 27 1 1 A 5 5 LEU C C 5 177.327 178.221 -0.894 1
1 55 . 27 1 1 A 5 5 LEU CA C 5 56.920 57.382 -0.462 1
1 56 . 27 1 1 A 5 5 LEU CB C 5 41.139 41.696 -0.557 1
1 60 . 27 1 1 A 5 5 LEU N N 5 118.892 118.157 0.735 1
1 61 . 27 1 1 A 6 6 GLU H H 6 7.664 8.390 -0.726 1
1 62 . 27 1 1 A 6 6 GLU HA H 6 3.744 3.920 -0.176 1
1 67 . 27 1 1 A 6 6 GLU C C 6 178.827 180.091 -1.264 1
1 68 . 27 1 1 A 6 6 GLU CA C 6 59.347 59.912 -0.565 1
1 69 . 27 1 1 A 6 6 GLU CB C 6 28.700 28.920 -0.220 1
1 71 . 27 1 1 A 6 6 GLU N N 6 118.741 118.902 -0.161 1
1 72 . 27 1 1 A 7 7 LYS H H 7 8.435 7.845 0.590 1
1 73 . 27 1 1 A 7 7 LYS HA H 7 3.909 4.118 -0.209 1
1 82 . 27 1 1 A 7 7 LYS C C 7 178.527 178.688 -0.161 1
1 83 . 27 1 1 A 7 7 LYS CA C 7 58.539 58.689 -0.150 1
1 84 . 27 1 1 A 7 7 LYS CB C 7 31.217 32.206 -0.989 1
1 88 . 27 1 1 A 7 7 LYS N N 7 119.285 119.363 -0.078 1
1 89 . 27 1 1 A 8 8 ALA H H 8 8.008 7.803 0.205 1
1 90 . 27 1 1 A 8 8 ALA HA H 8 4.038 4.183 -0.145 1
1 94 . 27 1 1 A 8 8 ALA C C 8 178.327 179.693 -1.366 1
1 95 . 27 1 1 A 8 8 ALA CA C 8 54.356 54.675 -0.319 1
1 96 . 27 1 1 A 8 8 ALA CB C 8 17.509 18.515 -1.006 1
1 97 . 27 1 1 A 8 8 ALA N N 8 123.866 122.898 0.968 1
1 98 . 27 1 1 A 9 9 LEU H H 9 8.163 8.185 -0.022 1
1 99 . 27 1 1 A 9 9 LEU HA H 9 3.809 3.955 -0.146 1
1 109 . 27 1 1 A 9 9 LEU C C 9 178.527 178.603 -0.076 1
1 110 . 27 1 1 A 9 9 LEU CA C 9 57.256 57.922 -0.666 1
1 111 . 27 1 1 A 9 9 LEU CB C 9 40.483 41.132 -0.649 1
1 115 . 27 1 1 A 9 9 LEU N N 9 119.134 117.393 1.741 1
1 116 . 27 1 1 A 10 10 THR H H 10 8.186 8.186 0.000 1
1 117 . 27 1 1 A 10 10 THR HA H 10 3.741 3.982 -0.241 1
1 122 . 27 1 1 A 10 10 THR C C 10 176.727 176.596 0.131 1
1 123 . 27 1 1 A 10 10 THR CA C 10 66.345 66.681 -0.336 1
1 124 . 27 1 1 A 10 10 THR CB C 10 67.558 68.725 -1.167 1
1 126 . 27 1 1 A 10 10 THR N N 10 114.355 115.045 -0.690 1
1 127 . 27 1 1 A 11 11 THR H H 11 8.387 7.886 0.501 1
1 128 . 27 1 1 A 11 11 THR HA H 11 3.963 4.122 -0.159 1
1 133 . 27 1 1 A 11 11 THR C C 11 176.827 176.198 0.629 1
1 134 . 27 1 1 A 11 11 THR CA C 11 65.801 67.141 -1.340 1
1 135 . 27 1 1 A 11 11 THR CB C 11 67.140 68.008 -0.868 1
1 137 . 27 1 1 A 11 11 THR N N 11 120.801 115.775 5.026 1
1 138 . 27 1 1 A 12 12 MET H H 12 8.299 8.572 -0.273 1
1 139 . 27 1 1 A 12 12 MET HA H 12 3.872 4.162 -0.290 1
1 147 . 27 1 1 A 12 12 MET C C 12 177.827 178.489 -0.662 1
1 148 . 27 1 1 A 12 12 MET CA C 12 59.263 58.743 0.520 1
1 149 . 27 1 1 A 12 12 MET CB C 12 31.845 32.344 -0.499 1
1 152 . 27 1 1 A 12 12 MET N N 12 124.102 120.001 4.101 1
1 153 . 27 1 1 A 13 13 VAL H H 13 7.820 8.054 -0.234 1
1 154 . 27 1 1 A 13 13 VAL HA H 13 3.937 3.904 0.033 1
1 162 . 27 1 1 A 13 13 VAL C C 13 177.127 178.700 -1.573 1
1 163 . 27 1 1 A 13 13 VAL CA C 13 65.677 66.168 -0.491 1
1 164 . 27 1 1 A 13 13 VAL CB C 13 31.656 31.397 0.259 1
1 167 . 27 1 1 A 13 13 VAL N N 13 119.838 119.504 0.334 1
1 168 . 27 1 1 A 14 14 THR H H 14 9.107 8.205 0.902 1
1 169 . 27 1 1 A 14 14 THR HA H 14 3.654 4.008 -0.354 1
1 174 . 27 1 1 A 14 14 THR C C 14 177.527 176.882 0.645 1
1 175 . 27 1 1 A 14 14 THR CA C 14 65.273 66.404 -1.131 1
1 176 . 27 1 1 A 14 14 THR CB C 14 67.652 68.968 -1.316 1
1 178 . 27 1 1 A 14 14 THR N N 14 112.247 117.251 -5.004 1
1 179 . 27 1 1 A 15 15 THR H H 15 8.189 8.203 -0.014 1
1 180 . 27 1 1 A 15 15 THR HA H 15 3.864 4.282 -0.418 1
1 186 . 27 1 1 A 15 15 THR C C 15 173.627 176.838 -3.211 1
1 187 . 27 1 1 A 15 15 THR CA C 15 66.930 65.837 1.093 1
1 188 . 27 1 1 A 15 15 THR CB C 15 66.539 68.225 -1.686 1
1 190 . 27 1 1 A 15 15 THR N N 15 117.691 111.826 5.865 1
1 191 . 27 1 1 A 16 16 PHE H H 16 6.850 8.129 -1.279 1
1 192 . 27 1 1 A 16 16 PHE HA H 16 3.417 4.035 -0.618 1
1 199 . 27 1 1 A 16 16 PHE C C 16 175.627 177.368 -1.741 1
1 200 . 27 1 1 A 16 16 PHE CA C 16 61.577 61.557 0.020 1
1 201 . 27 1 1 A 16 16 PHE CB C 16 38.177 38.802 -0.625 1
1 202 . 27 1 1 A 16 16 PHE N N 16 120.169 123.826 -3.657 1
1 203 . 27 1 1 A 17 17 HIS H H 17 6.924 8.610 -1.686 1
1 204 . 27 1 1 A 17 17 HIS HA H 17 4.755 4.061 0.694 1
1 207 . 27 1 1 A 17 17 HIS C C 17 176.227 177.789 -1.562 1
1 208 . 27 1 1 A 17 17 HIS CA C 17 56.810 59.916 -3.106 1
1 209 . 27 1 1 A 17 17 HIS CB C 17 29.597 30.037 -0.440 1
1 210 . 27 1 1 A 17 17 HIS N N 17 115.499 117.631 -2.132 1
1 211 . 27 1 1 A 18 18 LYS H H 18 7.888 8.050 -0.162 1
1 212 . 27 1 1 A 18 18 LYS HA H 18 3.870 3.950 -0.080 1
1 221 . 27 1 1 A 18 18 LYS C C 18 176.927 179.184 -2.257 1
1 222 . 27 1 1 A 18 18 LYS CA C 18 57.897 59.167 -1.270 1
1 223 . 27 1 1 A 18 18 LYS CB C 18 31.582 32.615 -1.033 1
1 227 . 27 1 1 A 18 18 LYS N N 18 121.217 118.779 2.438 1
1 228 . 27 1 1 A 19 19 TYR H H 19 6.928 8.459 -1.531 1
1 229 . 27 1 1 A 19 19 TYR HA H 19 4.163 4.095 0.068 1
1 234 . 27 1 1 A 19 19 TYR C C 19 175.027 178.450 -3.423 1
1 235 . 27 1 1 A 19 19 TYR CA C 19 59.335 60.260 -0.925 1
1 236 . 27 1 1 A 19 19 TYR CB C 19 39.515 37.476 2.039 1
1 237 . 27 1 1 A 19 19 TYR N N 19 114.488 120.236 -5.748 1
1 238 . 27 1 1 A 20 20 SER H H 20 8.021 8.260 -0.239 1
1 239 . 27 1 1 A 20 20 SER HA H 20 3.105 4.064 -0.959 1
1 242 . 27 1 1 A 20 20 SER C C 20 176.527 177.230 -0.703 1
1 243 . 27 1 1 A 20 20 SER CA C 20 60.457 62.158 -1.701 1
1 244 . 27 1 1 A 20 20 SER CB C 20 60.326 62.227 -1.901 1
1 245 . 27 1 1 A 20 20 SER N N 20 112.624 115.575 -2.951 1
1 246 . 27 1 1 A 21 21 GLY H H 21 7.908 8.258 -0.350 1
1 247 . 27 1 1 A 21 21 GLY HA2 H 21 4.197 3.725 0.472 1
1 248 . 27 1 1 A 21 21 GLY HA3 H 21 3.761 3.751 0.010 1
1 249 . 27 1 1 A 21 21 GLY C C 21 173.027 175.338 -2.311 1
1 250 . 27 1 1 A 21 21 GLY CA C 21 44.357 47.301 -2.944 1
1 251 . 27 1 1 A 21 21 GLY N N 21 112.095 109.466 2.629 1
1 252 . 27 1 1 A 22 22 ARG H H 22 7.470 8.024 -0.554 1
1 253 . 27 1 1 A 22 22 ARG HA H 22 3.956 3.968 -0.012 1
1 260 . 27 1 1 A 22 22 ARG C C 22 176.327 175.230 1.097 1
1 261 . 27 1 1 A 22 22 ARG CA C 22 58.189 59.047 -0.858 1
1 262 . 27 1 1 A 22 22 ARG CB C 22 29.483 29.924 -0.441 1
1 265 . 27 1 1 A 22 22 ARG N N 22 122.481 121.910 0.571 1
1 266 . 27 1 1 A 23 23 GLU H H 23 9.412 8.400 1.012 1
1 267 . 27 1 1 A 23 23 GLU HA H 23 4.626 4.515 0.111 1
1 272 . 27 1 1 A 23 23 GLU C C 23 175.027 176.654 -1.627 1
1 273 . 27 1 1 A 23 23 GLU CA C 23 53.319 55.217 -1.898 1
1 274 . 27 1 1 A 23 23 GLU CB C 23 32.032 32.937 -0.905 1
1 276 . 27 1 1 A 23 23 GLU N N 23 116.123 116.330 -0.207 1
1 277 . 27 1 1 A 24 24 GLY H H 24 9.080 8.562 0.518 1
1 278 . 27 1 1 A 24 24 GLY HA2 H 24 3.694 3.774 -0.080 1
1 279 . 27 1 1 A 24 24 GLY HA3 H 24 3.878 3.836 0.042 1
1 280 . 27 1 1 A 24 24 GLY C C 24 172.827 173.740 -0.913 1
1 281 . 27 1 1 A 24 24 GLY CA C 24 44.707 47.279 -2.572 1
1 282 . 27 1 1 A 24 24 GLY N N 24 114.015 110.340 3.675 1
1 283 . 27 1 1 A 25 25 SER H H 25 8.465 7.733 0.732 1
1 284 . 27 1 1 A 25 25 SER HA H 25 4.312 5.007 -0.695 1
1 287 . 27 1 1 A 25 25 SER C C 25 178.027 173.560 4.467 1
1 288 . 27 1 1 A 25 25 SER CA C 25 57.478 57.265 0.213 1
1 289 . 27 1 1 A 25 25 SER CB C 25 61.941 67.018 -5.077 1
1 290 . 27 1 1 A 25 25 SER N N 25 117.299 117.148 0.151 1
1 291 . 27 1 1 A 26 26 LYS H H 26 9.532 8.276 1.256 1
1 292 . 27 1 1 A 26 26 LYS HA H 26 4.660 4.027 0.633 1
1 301 . 27 1 1 A 26 26 LYS C C 26 176.127 176.398 -0.271 1
1 302 . 27 1 1 A 26 26 LYS CA C 26 56.928 56.810 0.118 1
1 303 . 27 1 1 A 26 26 LYS CB C 26 30.526 32.855 -2.329 1
1 307 . 27 1 1 A 26 26 LYS N N 26 131.209 120.661 10.548 1
1 308 . 27 1 1 A 27 27 LEU H H 27 8.643 8.610 0.033 1
1 309 . 27 1 1 A 27 27 LEU HA H 27 4.583 4.018 0.565 1
1 319 . 27 1 1 A 27 27 LEU C C 27 174.827 175.883 -1.056 1
1 320 . 27 1 1 A 27 27 LEU CA C 27 53.205 57.570 -4.365 1
1 321 . 27 1 1 A 27 27 LEU CB C 27 41.824 39.996 1.828 1
1 325 . 27 1 1 A 27 27 LEU N N 27 118.729 118.202 0.527 1
1 326 . 27 1 1 A 28 28 THR H H 28 7.037 7.557 -0.520 1
1 327 . 27 1 1 A 28 28 THR HA H 28 5.168 4.617 0.551 1
1 332 . 27 1 1 A 28 28 THR C C 28 172.727 174.004 -1.277 1
1 333 . 27 1 1 A 28 28 THR CA C 28 57.915 61.045 -3.130 1
1 334 . 27 1 1 A 28 28 THR CB C 28 71.934 70.174 1.760 1
1 336 . 27 1 1 A 28 28 THR N N 28 104.663 112.578 -7.915 1
1 337 . 27 1 1 A 29 29 LEU H H 29 9.517 8.808 0.709 1
1 338 . 27 1 1 A 29 29 LEU HA H 29 5.196 4.826 0.370 1
1 348 . 27 1 1 A 29 29 LEU C C 29 175.527 176.104 -0.577 1
1 349 . 27 1 1 A 29 29 LEU CA C 29 51.653 53.556 -1.903 1
1 350 . 27 1 1 A 29 29 LEU CB C 29 42.301 41.841 0.460 1
1 354 . 27 1 1 A 29 29 LEU N N 29 125.388 126.096 -0.708 1
1 355 . 27 1 1 A 30 30 SER H H 30 10.053 9.424 0.629 1
1 356 . 27 1 1 A 30 30 SER HA H 30 4.475 4.535 -0.060 1
1 359 . 27 1 1 A 30 30 SER C C 30 173.427 175.400 -1.973 1
1 360 . 27 1 1 A 30 30 SER CA C 30 55.011 58.283 -3.272 1
1 361 . 27 1 1 A 30 30 SER CB C 30 64.446 63.715 0.731 1
1 362 . 27 1 1 A 30 30 SER N N 30 121.114 120.703 0.411 1
1 363 . 27 1 1 A 31 31 ARG H H 31 8.992 8.897 0.095 1
1 364 . 27 1 1 A 31 31 ARG HA H 31 3.923 3.994 -0.071 1
1 371 . 27 1 1 A 31 31 ARG C C 31 177.027 177.962 -0.935 1
1 372 . 27 1 1 A 31 31 ARG CA C 31 59.408 59.621 -0.213 1
1 373 . 27 1 1 A 31 31 ARG CB C 31 29.041 30.006 -0.965 1
1 376 . 27 1 1 A 31 31 ARG N N 31 120.513 126.570 -6.057 1
1 377 . 27 1 1 A 32 32 LYS H H 32 7.845 7.771 0.074 1
1 378 . 27 1 1 A 32 32 LYS HA H 32 3.826 4.090 -0.264 1
1 387 . 27 1 1 A 32 32 LYS C C 32 178.927 179.533 -0.606 1
1 388 . 27 1 1 A 32 32 LYS CA C 32 58.677 59.620 -0.943 1
1 389 . 27 1 1 A 32 32 LYS CB C 32 31.964 32.423 -0.459 1
1 393 . 27 1 1 A 32 32 LYS N N 32 117.011 118.838 -1.827 1
1 394 . 27 1 1 A 33 33 GLU H H 33 7.612 8.099 -0.487 1
1 395 . 27 1 1 A 33 33 GLU HA H 33 3.954 4.111 -0.157 1
1 400 . 27 1 1 A 33 33 GLU C C 33 177.227 178.773 -1.546 1
1 401 . 27 1 1 A 33 33 GLU CA C 33 58.289 59.239 -0.950 1
1 402 . 27 1 1 A 33 33 GLU CB C 33 29.757 29.492 0.265 1
1 404 . 27 1 1 A 33 33 GLU N N 33 120.815 120.076 0.739 1
1 405 . 27 1 1 A 34 34 LEU H H 34 8.694 7.893 0.801 1
1 406 . 27 1 1 A 34 34 LEU HA H 34 3.811 4.051 -0.240 1
1 416 . 27 1 1 A 34 34 LEU C C 34 176.927 178.124 -1.197 1
1 417 . 27 1 1 A 34 34 LEU CA C 34 57.025 57.243 -0.218 1
1 418 . 27 1 1 A 34 34 LEU CB C 34 40.638 41.991 -1.353 1
1 422 . 27 1 1 A 34 34 LEU N N 34 119.291 121.375 -2.084 1
1 423 . 27 1 1 A 35 35 LYS H H 35 8.114 8.331 -0.217 1
1 424 . 27 1 1 A 35 35 LYS HA H 35 3.569 3.871 -0.302 1
1 433 . 27 1 1 A 35 35 LYS C C 35 177.027 178.414 -1.387 1
1 434 . 27 1 1 A 35 35 LYS CA C 35 59.419 59.724 -0.305 1
1 435 . 27 1 1 A 35 35 LYS CB C 35 31.271 32.269 -0.998 1
1 439 . 27 1 1 A 35 35 LYS N N 35 117.277 118.976 -1.699 1
1 440 . 27 1 1 A 36 36 GLU H H 36 7.560 7.847 -0.287 1
1 441 . 27 1 1 A 36 36 GLU HA H 36 3.845 4.179 -0.334 1
1 446 . 27 1 1 A 36 36 GLU C C 36 175.827 178.635 -2.808 1
1 447 . 27 1 1 A 36 36 GLU CA C 36 58.190 58.420 -0.230 1
1 448 . 27 1 1 A 36 36 GLU CB C 36 28.253 29.668 -1.415 1
1 450 . 27 1 1 A 36 36 GLU N N 36 119.302 118.758 0.544 1
1 451 . 27 1 1 A 37 37 LEU H H 37 7.682 7.464 0.218 1
1 452 . 27 1 1 A 37 37 LEU HA H 37 2.280 3.945 -1.665 1
1 462 . 27 1 1 A 37 37 LEU C C 37 178.327 178.127 0.200 1
1 463 . 27 1 1 A 37 37 LEU CA C 37 58.225 57.071 1.154 1
1 464 . 27 1 1 A 37 37 LEU CB C 37 41.090 41.914 -0.824 1
1 468 . 27 1 1 A 37 37 LEU N N 37 121.690 120.469 1.221 1
1 469 . 27 1 1 A 38 38 ILE H H 38 8.157 7.771 0.386 1
1 470 . 27 1 1 A 38 38 ILE HA H 38 3.292 3.511 -0.219 1
1 480 . 27 1 1 A 38 38 ILE C C 38 177.027 178.613 -1.586 1
1 481 . 27 1 1 A 38 38 ILE CA C 38 65.007 65.678 -0.671 1
1 482 . 27 1 1 A 38 38 ILE CB C 38 37.187 37.756 -0.569 1
1 486 . 27 1 1 A 38 38 ILE N N 38 117.626 120.425 -2.799 1
1 487 . 27 1 1 A 39 39 LYS H H 39 8.068 7.682 0.386 1
1 488 . 27 1 1 A 39 39 LYS HA H 39 3.876 4.251 -0.375 1
1 497 . 27 1 1 A 39 39 LYS C C 39 177.927 177.701 0.226 1
1 498 . 27 1 1 A 39 39 LYS CA C 39 58.204 58.497 -0.293 1
1 499 . 27 1 1 A 39 39 LYS CB C 39 31.731 32.161 -0.430 1
1 503 . 27 1 1 A 39 39 LYS N N 39 117.909 119.256 -1.347 1
1 504 . 27 1 1 A 40 40 LYS H H 40 8.094 7.878 0.216 1
1 505 . 27 1 1 A 40 40 LYS HA H 40 4.248 4.299 -0.051 1
1 514 . 27 1 1 A 40 40 LYS C C 40 178.227 179.071 -0.844 1
1 515 . 27 1 1 A 40 40 LYS CA C 40 56.291 58.223 -1.932 1
1 516 . 27 1 1 A 40 40 LYS CB C 40 32.652 33.464 -0.812 1
1 520 . 27 1 1 A 40 40 LYS N N 40 114.323 118.373 -4.050 1
1 521 . 27 1 1 A 41 41 GLU H H 41 8.381 8.181 0.200 1
1 522 . 27 1 1 A 41 41 GLU HA H 41 4.744 4.127 0.617 1
1 527 . 27 1 1 A 41 41 GLU C C 41 176.227 178.075 -1.848 1
1 528 . 27 1 1 A 41 41 GLU CA C 41 55.054 59.228 -4.174 1
1 529 . 27 1 1 A 41 41 GLU CB C 41 29.598 29.634 -0.036 1
1 531 . 27 1 1 A 41 41 GLU N N 41 113.079 120.856 -7.777 1
1 532 . 27 1 1 A 42 42 LEU H H 42 7.544 8.206 -0.662 1
1 533 . 27 1 1 A 42 42 LEU HA H 42 4.754 4.625 0.129 1
1 542 . 27 1 1 A 42 42 LEU CA C 42 52.564 54.529 -1.965 1
1 543 . 27 1 1 A 42 42 LEU CB C 42 43.848 41.205 2.643 1
1 546 . 27 1 1 A 42 42 LEU N N 42 118.458 119.371 -0.913 1
1 547 . 27 1 1 A 43 43 CYS H H 43 8.342 7.914 0.428 1
1 548 . 27 1 1 A 43 43 CYS HA H 43 4.486 4.194 0.292 1
1 551 . 27 1 1 A 43 43 CYS C C 43 174.327 176.810 -2.483 1
1 552 . 27 1 1 A 43 43 CYS CA C 43 57.655 62.378 -4.723 1
1 553 . 27 1 1 A 43 43 CYS CB C 43 25.653 27.695 -2.042 1
1 554 . 27 1 1 A 44 44 LEU H H 44 8.123 7.930 0.193 1
1 555 . 27 1 1 A 44 44 LEU HA H 44 4.339 4.212 0.127 1
1 565 . 27 1 1 A 44 44 LEU C C 44 176.927 177.502 -0.575 1
1 566 . 27 1 1 A 44 44 LEU CA C 44 53.750 56.826 -3.076 1
1 567 . 27 1 1 A 44 44 LEU CB C 44 40.784 41.469 -0.685 1
1 571 . 27 1 1 A 44 44 LEU N N 44 121.974 118.526 3.448 1
1 572 . 27 1 1 A 45 45 GLY H H 45 8.072 7.948 0.124 1
1 573 . 27 1 1 A 45 45 GLY HA2 H 45 3.889 3.953 -0.064 1
1 574 . 27 1 1 A 45 45 GLY HA3 H 45 3.698 4.085 -0.387 1
1 575 . 27 1 1 A 45 45 GLY C C 45 173.127 174.149 -1.022 1
1 576 . 27 1 1 A 45 45 GLY CA C 45 44.291 45.352 -1.061 1
1 577 . 27 1 1 A 45 45 GLY N N 45 107.819 107.968 -0.149 1
1 578 . 27 1 1 A 46 46 GLU H H 46 8.472 7.896 0.576 1
1 579 . 27 1 1 A 46 46 GLU HA H 46 4.048 3.907 0.141 1
1 584 . 27 1 1 A 46 46 GLU C C 46 175.727 175.412 0.315 1
1 585 . 27 1 1 A 46 46 GLU CA C 46 56.461 57.320 -0.859 1
1 586 . 27 1 1 A 46 46 GLU CB C 46 28.208 27.186 1.022 1
1 588 . 27 1 1 A 46 46 GLU N N 46 120.563 116.467 4.096 1
1 589 . 27 1 1 A 47 47 MET H H 47 8.189 7.921 0.268 1
1 590 . 27 1 1 A 47 47 MET HA H 47 4.413 4.320 0.093 1
1 598 . 27 1 1 A 47 47 MET C C 47 175.027 175.604 -0.577 1
1 599 . 27 1 1 A 47 47 MET CA C 47 53.905 56.259 -2.354 1
1 600 . 27 1 1 A 47 47 MET CB C 47 32.611 33.223 -0.612 1
1 603 . 27 1 1 A 47 47 MET N N 47 123.201 118.518 4.683 1
1 604 . 27 1 1 A 48 48 LYS H H 48 8.355 8.602 -0.247 1
1 605 . 27 1 1 A 48 48 LYS HA H 48 4.237 4.335 -0.098 1
1 614 . 27 1 1 A 48 48 LYS C C 48 177.027 177.832 -0.805 1
1 615 . 27 1 1 A 48 48 LYS CA C 48 55.443 56.350 -0.907 1
1 616 . 27 1 1 A 48 48 LYS CB C 48 32.173 33.308 -1.135 1
1 620 . 27 1 1 A 48 48 LYS N N 48 123.046 126.525 -3.479 1
1 621 . 27 1 1 A 49 49 GLU H H 49 8.742 8.972 -0.230 1
1 622 . 27 1 1 A 49 49 GLU HA H 49 3.884 4.069 -0.185 1
1 627 . 27 1 1 A 49 49 GLU C C 49 177.727 178.401 -0.674 1
1 628 . 27 1 1 A 49 49 GLU CA C 49 58.534 59.362 -0.828 1
1 629 . 27 1 1 A 49 49 GLU CB C 49 27.870 29.174 -1.304 1
1 631 . 27 1 1 A 49 49 GLU N N 49 122.407 124.372 -1.965 1
1 632 . 27 1 1 A 50 50 SER H H 50 8.324 8.192 0.132 1
1 633 . 27 1 1 A 50 50 SER HA H 50 4.188 4.325 -0.137 1
1 636 . 27 1 1 A 50 50 SER C C 50 175.427 175.545 -0.118 1
1 637 . 27 1 1 A 50 50 SER CA C 50 59.402 60.252 -0.850 1
1 638 . 27 1 1 A 50 50 SER CB C 50 61.442 62.645 -1.203 1
1 639 . 27 1 1 A 50 50 SER N N 50 112.475 115.411 -2.936 1
1 640 . 27 1 1 A 51 51 SER H H 51 7.400 8.133 -0.733 1
1 641 . 27 1 1 A 51 51 SER HA H 51 3.926 4.731 -0.805 1
1 644 . 27 1 1 A 51 51 SER C C 51 176.027 176.012 0.015 1
1 645 . 27 1 1 A 51 51 SER CA C 51 59.762 58.641 1.121 1
1 646 . 27 1 1 A 51 51 SER CB C 51 60.955 64.934 -3.979 1
1 647 . 27 1 1 A 51 51 SER N N 51 118.432 114.877 3.555 1
1 648 . 27 1 1 A 52 52 ILE H H 52 7.790 8.030 -0.240 1
1 649 . 27 1 1 A 52 52 ILE HA H 52 3.642 3.730 -0.088 1
1 659 . 27 1 1 A 52 52 ILE C C 52 176.427 177.620 -1.193 1
1 660 . 27 1 1 A 52 52 ILE CA C 52 61.984 64.463 -2.479 1
1 661 . 27 1 1 A 52 52 ILE CB C 52 34.990 36.487 -1.497 1
1 665 . 27 1 1 A 52 52 ILE N N 52 123.838 121.301 2.537 1
1 666 . 27 1 1 A 53 53 ASP H H 53 8.092 8.021 0.071 1
1 667 . 27 1 1 A 53 53 ASP HA H 53 4.225 4.379 -0.154 1
1 670 . 27 1 1 A 53 53 ASP C C 53 178.227 178.646 -0.419 1
1 671 . 27 1 1 A 53 53 ASP CA C 53 56.606 57.094 -0.488 1
1 672 . 27 1 1 A 53 53 ASP CB C 53 39.034 40.426 -1.392 1
1 673 . 27 1 1 A 53 53 ASP N N 53 121.313 121.992 -0.679 1
1 674 . 27 1 1 A 54 54 ASP H H 54 7.811 8.022 -0.211 1
1 675 . 27 1 1 A 54 54 ASP HA H 54 4.253 4.381 -0.128 1
1 678 . 27 1 1 A 54 54 ASP C C 54 177.927 178.230 -0.303 1
1 679 . 27 1 1 A 54 54 ASP CA C 54 56.467 57.429 -0.962 1
1 680 . 27 1 1 A 54 54 ASP CB C 54 39.401 41.234 -1.833 1
1 681 . 27 1 1 A 54 54 ASP N N 54 120.122 119.264 0.858 1
1 682 . 27 1 1 A 55 55 LEU H H 55 7.789 7.761 0.028 1
1 683 . 27 1 1 A 55 55 LEU HA H 55 3.979 4.089 -0.110 1
1 693 . 27 1 1 A 55 55 LEU C C 55 178.027 178.618 -0.591 1
1 694 . 27 1 1 A 55 55 LEU CA C 55 56.713 58.148 -1.435 1
1 695 . 27 1 1 A 55 55 LEU CB C 55 40.799 41.269 -0.470 1
1 699 . 27 1 1 A 55 55 LEU N N 55 122.944 120.610 2.334 1
1 700 . 27 1 1 A 56 56 MET H H 56 8.601 8.761 -0.160 1
1 701 . 27 1 1 A 56 56 MET HA H 56 3.827 4.093 -0.266 1
1 709 . 27 1 1 A 56 56 MET C C 56 177.027 178.142 -1.115 1
1 710 . 27 1 1 A 56 56 MET CA C 56 57.116 58.360 -1.244 1
1 711 . 27 1 1 A 56 56 MET CB C 56 29.825 31.710 -1.885 1
1 714 . 27 1 1 A 56 56 MET N N 56 117.863 119.283 -1.420 1
1 715 . 27 1 1 A 57 57 LYS H H 57 7.693 8.047 -0.354 1
1 716 . 27 1 1 A 57 57 LYS HA H 57 3.954 4.104 -0.150 1
1 725 . 27 1 1 A 57 57 LYS C C 57 178.127 177.669 0.458 1
1 726 . 27 1 1 A 57 57 LYS CA C 57 58.352 58.810 -0.458 1
1 727 . 27 1 1 A 57 57 LYS CB C 57 31.315 31.960 -0.645 1
1 731 . 27 1 1 A 57 57 LYS N N 57 116.455 120.183 -3.728 1
1 732 . 27 1 1 A 58 58 SER H H 58 7.661 8.057 -0.396 1
1 733 . 27 1 1 A 58 58 SER HA H 58 4.115 4.494 -0.379 1
1 736 . 27 1 1 A 58 58 SER C C 58 174.827 175.524 -0.697 1
1 737 . 27 1 1 A 58 58 SER CA C 58 59.986 59.946 0.040 1
1 738 . 27 1 1 A 58 58 SER CB C 58 62.464 63.857 -1.393 1
1 739 . 27 1 1 A 58 58 SER N N 58 113.020 115.319 -2.299 1
1 740 . 27 1 1 A 59 59 LEU H H 59 7.917 8.248 -0.331 1
1 741 . 27 1 1 A 59 59 LEU HA H 59 4.269 4.186 0.083 1
1 751 . 27 1 1 A 59 59 LEU C C 59 177.627 178.138 -0.511 1
1 752 . 27 1 1 A 59 59 LEU CA C 59 54.402 57.798 -3.396 1
1 753 . 27 1 1 A 59 59 LEU CB C 59 43.731 41.788 1.943 1
1 757 . 27 1 1 A 59 59 LEU N N 59 117.463 121.078 -3.615 1
1 758 . 27 1 1 A 60 60 ASP H H 60 8.025 8.296 -0.271 1
1 759 . 27 1 1 A 60 60 ASP HA H 60 4.566 4.817 -0.251 1
1 762 . 27 1 1 A 60 60 ASP C C 60 176.627 177.055 -0.428 1
1 763 . 27 1 1 A 60 60 ASP CA C 60 52.335 52.820 -0.485 1
1 764 . 27 1 1 A 60 60 ASP CB C 60 38.139 39.018 -0.879 1
1 765 . 27 1 1 A 60 60 ASP N N 60 117.588 117.397 0.191 1
1 766 . 27 1 1 A 61 61 LYS H H 61 8.100 8.155 -0.055 1
1 767 . 27 1 1 A 61 61 LYS HA H 61 4.035 4.033 0.002 1
1 776 . 27 1 1 A 61 61 LYS C C 61 176.727 178.639 -1.912 1
1 777 . 27 1 1 A 61 61 LYS CA C 61 56.887 59.467 -2.580 1
1 778 . 27 1 1 A 61 61 LYS CB C 61 31.653 32.355 -0.702 1
1 782 . 27 1 1 A 61 61 LYS N N 61 126.943 125.054 1.889 1
1 783 . 27 1 1 A 62 62 ASN H H 62 7.864 7.997 -0.133 1
1 784 . 27 1 1 A 62 62 ASN HA H 62 4.759 4.680 0.079 1
1 789 . 27 1 1 A 62 62 ASN C C 62 173.727 175.860 -2.133 1
1 790 . 27 1 1 A 62 62 ASN CA C 62 50.660 52.586 -1.926 1
1 791 . 27 1 1 A 62 62 ASN CB C 62 35.920 37.926 -2.006 1
1 792 . 27 1 1 A 62 62 ASN N N 62 113.588 114.191 -0.603 1
1 794 . 27 1 1 A 63 63 SER H H 63 7.613 8.234 -0.621 1
1 795 . 27 1 1 A 63 63 SER HA H 63 3.962 4.286 -0.324 1
1 798 . 27 1 1 A 63 63 SER C C 63 172.927 174.872 -1.945 1
1 799 . 27 1 1 A 63 63 SER CA C 63 58.262 59.255 -0.993 1
1 800 . 27 1 1 A 63 63 SER CB C 63 60.708 61.941 -1.233 1
1 801 . 27 1 1 A 63 63 SER N N 63 111.592 114.431 -2.839 1
1 802 . 27 1 1 A 64 64 ASP H H 64 8.217 7.945 0.272 1
1 803 . 27 1 1 A 64 64 ASP HA H 64 4.653 4.566 0.087 1
1 806 . 27 1 1 A 64 64 ASP C C 64 175.927 176.973 -1.046 1
1 807 . 27 1 1 A 64 64 ASP CA C 64 51.641 52.889 -1.248 1
1 808 . 27 1 1 A 64 64 ASP CB C 64 39.385 40.485 -1.100 1
1 809 . 27 1 1 A 64 64 ASP N N 64 118.913 120.373 -1.460 1
1 810 . 27 1 1 A 65 65 GLN H H 65 10.239 8.053 2.186 1
1 811 . 27 1 1 A 65 65 GLN HA H 65 3.356 3.902 -0.546 1
1 818 . 27 1 1 A 65 65 GLN C C 65 172.627 174.396 -1.769 1
1 819 . 27 1 1 A 65 65 GLN CA C 65 56.325 57.467 -1.142 1
1 820 . 27 1 1 A 65 65 GLN CB C 65 24.910 28.161 -3.251 1
1 822 . 27 1 1 A 65 65 GLN N N 65 114.908 116.665 -1.757 1
1 824 . 27 1 1 A 66 66 GLU H H 66 7.710 7.793 -0.083 1
1 825 . 27 1 1 A 66 66 GLU HA H 66 4.691 4.899 -0.208 1
1 830 . 27 1 1 A 66 66 GLU C C 66 174.127 175.416 -1.289 1
1 831 . 27 1 1 A 66 66 GLU CA C 66 52.987 55.003 -2.016 1
1 832 . 27 1 1 A 66 66 GLU CB C 66 32.433 32.321 0.112 1
1 834 . 27 1 1 A 66 66 GLU N N 66 115.721 119.575 -3.854 1
1 835 . 27 1 1 A 67 67 ILE H H 67 9.938 9.138 0.800 1
1 836 . 27 1 1 A 67 67 ILE HA H 67 5.291 4.733 0.558 1
1 846 . 27 1 1 A 67 67 ILE C C 67 175.627 175.383 0.244 1
1 847 . 27 1 1 A 67 67 ILE CA C 67 56.241 60.344 -4.103 1
1 848 . 27 1 1 A 67 67 ILE CB C 67 35.492 37.964 -2.472 1
1 852 . 27 1 1 A 67 67 ILE N N 67 125.901 123.889 2.012 1
1 853 . 27 1 1 A 68 68 ASP H H 68 8.794 8.719 0.075 1
1 854 . 27 1 1 A 68 68 ASP HA H 68 5.002 4.796 0.206 1
1 857 . 27 1 1 A 68 68 ASP C C 68 174.427 177.356 -2.929 1
1 858 . 27 1 1 A 68 68 ASP CA C 68 51.563 54.256 -2.693 1
1 859 . 27 1 1 A 68 68 ASP CB C 68 40.493 42.187 -1.694 1
1 860 . 27 1 1 A 68 68 ASP N N 68 127.844 128.216 -0.372 1
1 861 . 27 1 1 A 69 69 PHE H H 69 9.068 9.258 -0.190 1
1 862 . 27 1 1 A 69 69 PHE HA H 69 3.130 4.105 -0.975 1
1 869 . 27 1 1 A 69 69 PHE C C 69 176.827 177.684 -0.857 1
1 870 . 27 1 1 A 69 69 PHE CA C 69 62.478 62.255 0.223 1
1 871 . 27 1 1 A 69 69 PHE CB C 69 38.096 39.644 -1.548 1
1 872 . 27 1 1 A 69 69 PHE N N 69 118.955 126.799 -7.844 1
1 873 . 27 1 1 A 70 70 LYS H H 70 8.123 8.221 -0.098 1
1 874 . 27 1 1 A 70 70 LYS HA H 70 3.871 4.271 -0.400 1
1 883 . 27 1 1 A 70 70 LYS C C 70 179.527 178.725 0.802 1
1 884 . 27 1 1 A 70 70 LYS CA C 70 59.457 58.767 0.690 1
1 885 . 27 1 1 A 70 70 LYS CB C 70 30.772 32.410 -1.638 1
1 889 . 27 1 1 A 70 70 LYS N N 70 120.287 117.405 2.882 1
1 890 . 27 1 1 A 71 71 GLU H H 71 8.746 8.282 0.464 1
1 891 . 27 1 1 A 71 71 GLU HA H 71 4.099 4.162 -0.063 1
1 896 . 27 1 1 A 71 71 GLU C C 71 179.127 178.747 0.380 1
1 897 . 27 1 1 A 71 71 GLU CA C 71 57.934 58.961 -1.027 1
1 898 . 27 1 1 A 71 71 GLU CB C 71 29.266 30.079 -0.813 1
1 900 . 27 1 1 A 71 71 GLU N N 71 122.207 118.935 3.272 1
1 901 . 27 1 1 A 72 72 TYR H H 72 8.879 8.474 0.405 1
1 902 . 27 1 1 A 72 72 TYR HA H 72 4.010 4.208 -0.198 1
1 909 . 27 1 1 A 72 72 TYR C C 72 175.927 178.067 -2.140 1
1 910 . 27 1 1 A 72 72 TYR CA C 72 58.551 61.522 -2.971 1
1 911 . 27 1 1 A 72 72 TYR CB C 72 38.072 38.580 -0.508 1
1 912 . 27 1 1 A 72 72 TYR N N 72 121.813 122.255 -0.442 1
1 913 . 27 1 1 A 73 73 SER H H 73 8.414 8.042 0.372 1
1 914 . 27 1 1 A 73 73 SER HA H 73 3.462 3.929 -0.467 1
1 917 . 27 1 1 A 73 73 SER C C 73 175.127 176.956 -1.829 1
1 918 . 27 1 1 A 73 73 SER CA C 73 61.876 61.131 0.745 1
1 919 . 27 1 1 A 73 73 SER CB C 73 61.327 63.135 -1.808 1
1 920 . 27 1 1 A 73 73 SER N N 73 117.840 114.696 3.144 1
1 921 . 27 1 1 A 74 74 VAL H H 74 7.363 7.362 0.001 1
1 922 . 27 1 1 A 74 74 VAL HA H 74 3.584 3.846 -0.262 1
1 930 . 27 1 1 A 74 74 VAL C C 74 178.027 178.082 -0.055 1
1 931 . 27 1 1 A 74 74 VAL CA C 74 65.397 65.528 -0.131 1
1 932 . 27 1 1 A 74 74 VAL CB C 74 30.300 31.164 -0.864 1
1 935 . 27 1 1 A 74 74 VAL N N 74 123.439 119.279 4.160 1
1 936 . 27 1 1 A 75 75 PHE H H 75 7.282 8.174 -0.892 1
1 937 . 27 1 1 A 75 75 PHE HA H 75 4.562 4.003 0.559 1
1 945 . 27 1 1 A 75 75 PHE C C 75 176.127 177.051 -0.924 1
1 946 . 27 1 1 A 75 75 PHE CA C 75 57.851 61.337 -3.486 1
1 947 . 27 1 1 A 75 75 PHE CB C 75 36.863 39.109 -2.246 1
1 948 . 27 1 1 A 75 75 PHE N N 75 122.766 124.172 -1.406 1
1 949 . 27 1 1 A 76 76 LEU H H 76 7.823 8.324 -0.501 1
1 950 . 27 1 1 A 76 76 LEU HA H 76 3.445 3.402 0.043 1
1 960 . 27 1 1 A 76 76 LEU C C 76 178.927 179.409 -0.482 1
1 961 . 27 1 1 A 76 76 LEU CA C 76 56.891 57.385 -0.494 1
1 962 . 27 1 1 A 76 76 LEU CB C 76 39.917 40.537 -0.620 1
1 966 . 27 1 1 A 76 76 LEU N N 76 115.619 118.714 -3.095 1
1 967 . 27 1 1 A 77 77 THR H H 77 7.858 7.868 -0.010 1
1 968 . 27 1 1 A 77 77 THR HA H 77 3.665 3.745 -0.080 1
1 974 . 27 1 1 A 77 77 THR C C 77 175.427 176.839 -1.412 1
1 975 . 27 1 1 A 77 77 THR CA C 77 66.127 66.450 -0.323 1
1 976 . 27 1 1 A 77 77 THR CB C 77 67.585 68.283 -0.698 1
1 978 . 27 1 1 A 77 77 THR N N 77 113.417 114.802 -1.385 1
1 979 . 27 1 1 A 78 78 MET H H 78 7.970 8.408 -0.438 1
1 980 . 27 1 1 A 78 78 MET HA H 78 3.935 4.131 -0.196 1
1 988 . 27 1 1 A 78 78 MET C C 78 179.127 179.045 0.082 1
1 989 . 27 1 1 A 78 78 MET CA C 78 58.780 58.378 0.402 1
1 990 . 27 1 1 A 78 78 MET CB C 78 31.501 32.562 -1.061 1
1 993 . 27 1 1 A 78 78 MET N N 78 122.745 119.228 3.517 1
1 994 . 27 1 1 A 79 79 LEU H H 79 7.898 8.244 -0.346 1
1 995 . 27 1 1 A 79 79 LEU HA H 79 3.870 3.945 -0.075 1
1 1005 . 27 1 1 A 79 79 LEU C C 79 178.427 178.232 0.195 1
1 1006 . 27 1 1 A 79 79 LEU CA C 79 56.843 58.128 -1.285 1
1 1007 . 27 1 1 A 79 79 LEU CB C 79 41.099 41.588 -0.489 1
1 1011 . 27 1 1 A 79 79 LEU N N 79 120.989 122.824 -1.835 1
1 1012 . 27 1 1 A 80 80 CYS H H 80 8.400 8.413 -0.013 1
1 1013 . 27 1 1 A 80 80 CYS HA H 80 3.830 3.991 -0.161 1
1 1017 . 27 1 1 A 80 80 CYS C C 80 175.927 177.117 -1.190 1
1 1018 . 27 1 1 A 80 80 CYS CA C 80 64.044 62.631 1.413 1
1 1019 . 27 1 1 A 80 80 CYS CB C 80 25.626 27.352 -1.726 1
1 1020 . 27 1 1 A 80 80 CYS N N 80 117.746 118.170 -0.424 1
1 1021 . 27 1 1 A 81 81 MET H H 81 8.295 8.498 -0.203 1
1 1022 . 27 1 1 A 81 81 MET HA H 81 4.023 4.139 -0.116 1
1 1030 . 27 1 1 A 81 81 MET C C 81 177.327 178.056 -0.729 1
1 1031 . 27 1 1 A 81 81 MET CA C 81 57.601 58.752 -1.151 1
1 1032 . 27 1 1 A 81 81 MET CB C 81 30.668 32.731 -2.063 1
1 1035 . 27 1 1 A 81 81 MET N N 81 117.598 119.088 -1.490 1
1 1036 . 27 1 1 A 82 82 ALA H H 82 7.624 8.026 -0.402 1
1 1037 . 27 1 1 A 82 82 ALA HA H 82 4.061 4.126 -0.065 1
1 1041 . 27 1 1 A 82 82 ALA C C 82 179.627 179.637 -0.010 1
1 1042 . 27 1 1 A 82 82 ALA CA C 82 53.856 55.414 -1.558 1
1 1043 . 27 1 1 A 82 82 ALA CB C 82 16.794 18.696 -1.902 1
1 1044 . 27 1 1 A 82 82 ALA N N 82 121.886 121.324 0.562 1
1 1045 . 27 1 1 A 83 83 TYR H H 83 8.476 8.355 0.121 1
1 1046 . 27 1 1 A 83 83 TYR HA H 83 4.147 4.367 -0.220 1
1 1053 . 27 1 1 A 83 83 TYR C C 83 178.127 178.146 -0.019 1
1 1054 . 27 1 1 A 83 83 TYR CA C 83 60.066 61.377 -1.311 1
1 1055 . 27 1 1 A 83 83 TYR CB C 83 36.546 37.472 -0.926 1
1 1056 . 27 1 1 A 83 83 TYR N N 83 119.136 116.427 2.709 1
1 1057 . 27 1 1 A 84 84 ASN H H 84 8.386 8.144 0.242 1
1 1058 . 27 1 1 A 84 84 ASN HA H 84 4.221 4.424 -0.203 1
1 1063 . 27 1 1 A 84 84 ASN C C 84 175.427 177.348 -1.921 1
1 1064 . 27 1 1 A 84 84 ASN CA C 84 56.123 56.874 -0.751 1
1 1065 . 27 1 1 A 84 84 ASN CB C 84 37.387 38.705 -1.318 1
1 1066 . 27 1 1 A 84 84 ASN N N 84 120.692 119.917 0.775 1
1 1068 . 27 1 1 A 85 85 ASP H H 85 7.611 7.545 0.066 1
1 1069 . 27 1 1 A 85 85 ASP HA H 85 4.234 4.431 -0.197 1
1 1072 . 27 1 1 A 85 85 ASP C C 85 178.227 178.486 -0.259 1
1 1073 . 27 1 1 A 85 85 ASP CA C 85 56.752 57.252 -0.500 1
1 1074 . 27 1 1 A 85 85 ASP CB C 85 38.688 40.773 -2.085 1
1 1075 . 27 1 1 A 85 85 ASP N N 85 118.378 119.344 -0.966 1
1 1076 . 27 1 1 A 86 86 PHE H H 86 7.538 8.060 -0.522 1
1 1077 . 27 1 1 A 86 86 PHE HA H 86 4.291 4.159 0.132 1
1 1084 . 27 1 1 A 86 86 PHE C C 86 176.627 177.881 -1.254 1
1 1085 . 27 1 1 A 86 86 PHE CA C 86 58.743 61.458 -2.715 1
1 1086 . 27 1 1 A 86 86 PHE CB C 86 37.488 39.035 -1.547 1
1 1087 . 27 1 1 A 86 86 PHE N N 86 118.712 120.617 -1.905 1
1 1088 . 27 1 1 A 87 87 PHE H H 87 8.132 8.455 -0.323 1
1 1089 . 27 1 1 A 87 87 PHE HA H 87 3.906 4.128 -0.222 1
1 1096 . 27 1 1 A 87 87 PHE C C 87 176.627 177.209 -0.582 1
1 1097 . 27 1 1 A 87 87 PHE CA C 87 59.554 61.260 -1.706 1
1 1098 . 27 1 1 A 87 87 PHE CB C 87 38.017 39.608 -1.591 1
1 1099 . 27 1 1 A 87 87 PHE N N 87 121.649 120.022 1.627 1
1 1100 . 27 1 1 A 88 88 LEU H H 88 7.953 7.636 0.317 1
1 1101 . 27 1 1 A 88 88 LEU HA H 88 3.775 4.211 -0.436 1
1 1111 . 27 1 1 A 88 88 LEU C C 88 177.627 177.450 0.177 1
1 1112 . 27 1 1 A 88 88 LEU CA C 88 55.078 56.877 -1.799 1
1 1113 . 27 1 1 A 88 88 LEU CB C 88 41.226 41.895 -0.669 1
1 1117 . 27 1 1 A 88 88 LEU N N 88 118.897 119.131 -0.234 1
1 1118 . 27 1 1 A 89 89 GLU H H 89 7.475 8.063 -0.588 1
1 1119 . 27 1 1 A 89 89 GLU HA H 89 3.914 4.600 -0.686 1
1 1124 . 27 1 1 A 89 89 GLU C C 89 176.127 176.344 -0.217 1
1 1125 . 27 1 1 A 89 89 GLU CA C 89 56.926 55.834 1.092 1
1 1126 . 27 1 1 A 89 89 GLU CB C 89 28.567 30.372 -1.805 1
1 1128 . 27 1 1 A 89 89 GLU N N 89 119.332 116.818 2.514 1
1 1129 . 27 1 1 A 90 90 ASP H H 90 7.750 7.566 0.184 1
1 1130 . 27 1 1 A 90 90 ASP HA H 90 4.370 4.527 -0.157 1
1 1133 . 27 1 1 A 90 90 ASP C C 90 175.227 178.230 -3.003 1
1 1134 . 27 1 1 A 90 90 ASP CA C 90 53.593 56.046 -2.453 1
1 1135 . 27 1 1 A 90 90 ASP CB C 90 40.323 41.471 -1.148 1
1 1136 . 27 1 1 A 90 90 ASP N N 90 118.945 118.854 0.091 1
1 1137 . 27 1 1 A 91 91 ASN H H 91 7.681 8.050 -0.369 1
1 1138 . 27 1 1 A 91 91 ASN HA H 91 4.495 4.342 0.153 1
1 1143 . 27 1 1 A 91 91 ASN C C 91 173.027 176.002 -2.975 1
1 1144 . 27 1 1 A 91 91 ASN CA C 91 52.041 53.121 -1.080 1
1 1145 . 27 1 1 A 91 91 ASN CB C 91 38.072 36.625 1.447 1
1 1146 . 27 1 1 A 91 91 ASN N N 91 118.171 114.552 3.619 1
1 10 . 28 1 1 A 2 2 GLU H H 2 8.776 8.979 -0.203 1
1 11 . 28 1 1 A 2 2 GLU HA H 2 4.535 4.642 -0.107 1
1 16 . 28 1 1 A 2 2 GLU C C 2 175.627 176.479 -0.852 1
1 17 . 28 1 1 A 2 2 GLU CA C 2 55.573 56.650 -1.077 1
1 18 . 28 1 1 A 2 2 GLU CB C 2 30.569 31.113 -0.544 1
1 20 . 28 1 1 A 2 2 GLU N N 2 124.305 121.261 3.044 1
1 21 . 28 1 1 A 3 3 THR H H 3 8.835 8.214 0.621 1
1 22 . 28 1 1 A 3 3 THR HA H 3 4.608 4.835 -0.227 1
1 27 . 28 1 1 A 3 3 THR CA C 3 59.187 59.131 0.056 1
1 28 . 28 1 1 A 3 3 THR CB C 3 67.385 71.448 -4.063 1
1 30 . 28 1 1 A 3 3 THR N N 3 116.176 109.189 6.987 1
1 31 . 28 1 1 A 4 4 PRO HA H 4 4.158 4.418 -0.260 1
1 38 . 28 1 1 A 4 4 PRO C C 4 179.327 178.590 0.737 1
1 39 . 28 1 1 A 4 4 PRO CA C 4 65.040 65.268 -0.228 1
1 40 . 28 1 1 A 4 4 PRO CB C 4 30.616 32.046 -1.430 1
1 43 . 28 1 1 A 5 5 LEU H H 5 8.794 7.572 1.222 1
1 44 . 28 1 1 A 5 5 LEU HA H 5 3.944 4.002 -0.058 1
1 54 . 28 1 1 A 5 5 LEU C C 5 177.327 179.076 -1.749 1
1 55 . 28 1 1 A 5 5 LEU CA C 5 56.920 57.648 -0.728 1
1 56 . 28 1 1 A 5 5 LEU CB C 5 41.139 41.399 -0.260 1
1 60 . 28 1 1 A 5 5 LEU N N 5 118.892 116.654 2.238 1
1 61 . 28 1 1 A 6 6 GLU H H 6 7.664 8.075 -0.411 1
1 62 . 28 1 1 A 6 6 GLU HA H 6 3.744 3.897 -0.153 1
1 67 . 28 1 1 A 6 6 GLU C C 6 178.827 179.836 -1.009 1
1 68 . 28 1 1 A 6 6 GLU CA C 6 59.347 59.873 -0.526 1
1 69 . 28 1 1 A 6 6 GLU CB C 6 28.700 29.327 -0.627 1
1 71 . 28 1 1 A 6 6 GLU N N 6 118.741 117.607 1.134 1
1 72 . 28 1 1 A 7 7 LYS H H 7 8.435 8.120 0.315 1
1 73 . 28 1 1 A 7 7 LYS HA H 7 3.909 4.019 -0.110 1
1 82 . 28 1 1 A 7 7 LYS C C 7 178.527 178.989 -0.462 1
1 83 . 28 1 1 A 7 7 LYS CA C 7 58.539 59.333 -0.794 1
1 84 . 28 1 1 A 7 7 LYS CB C 7 31.217 32.375 -1.158 1
1 88 . 28 1 1 A 7 7 LYS N N 7 119.285 119.301 -0.016 1
1 89 . 28 1 1 A 8 8 ALA H H 8 8.008 8.075 -0.067 1
1 90 . 28 1 1 A 8 8 ALA HA H 8 4.038 4.121 -0.083 1
1 94 . 28 1 1 A 8 8 ALA C C 8 178.327 180.319 -1.992 1
1 95 . 28 1 1 A 8 8 ALA CA C 8 54.356 54.660 -0.304 1
1 96 . 28 1 1 A 8 8 ALA CB C 8 17.509 18.293 -0.784 1
1 97 . 28 1 1 A 8 8 ALA N N 8 123.866 122.321 1.545 1
1 98 . 28 1 1 A 9 9 LEU H H 9 8.163 8.781 -0.618 1
1 99 . 28 1 1 A 9 9 LEU HA H 9 3.809 4.051 -0.242 1
1 109 . 28 1 1 A 9 9 LEU C C 9 178.527 179.486 -0.959 1
1 110 . 28 1 1 A 9 9 LEU CA C 9 57.256 57.881 -0.625 1
1 111 . 28 1 1 A 9 9 LEU CB C 9 40.483 41.610 -1.127 1
1 115 . 28 1 1 A 9 9 LEU N N 9 119.134 119.714 -0.580 1
1 116 . 28 1 1 A 10 10 THR H H 10 8.186 7.851 0.335 1
1 117 . 28 1 1 A 10 10 THR HA H 10 3.741 3.990 -0.249 1
1 122 . 28 1 1 A 10 10 THR C C 10 176.727 176.485 0.242 1
1 123 . 28 1 1 A 10 10 THR CA C 10 66.345 66.454 -0.109 1
1 124 . 28 1 1 A 10 10 THR CB C 10 67.558 68.349 -0.791 1
1 126 . 28 1 1 A 10 10 THR N N 10 114.355 116.017 -1.662 1
1 127 . 28 1 1 A 11 11 THR H H 11 8.387 8.454 -0.067 1
1 128 . 28 1 1 A 11 11 THR HA H 11 3.963 3.960 0.003 1
1 133 . 28 1 1 A 11 11 THR C C 11 176.827 175.717 1.110 1
1 134 . 28 1 1 A 11 11 THR CA C 11 65.801 66.722 -0.921 1
1 135 . 28 1 1 A 11 11 THR CB C 11 67.140 67.940 -0.800 1
1 137 . 28 1 1 A 11 11 THR N N 11 120.801 117.424 3.377 1
1 138 . 28 1 1 A 12 12 MET H H 12 8.299 8.235 0.064 1
1 139 . 28 1 1 A 12 12 MET HA H 12 3.872 4.308 -0.436 1
1 147 . 28 1 1 A 12 12 MET C C 12 177.827 178.307 -0.480 1
1 148 . 28 1 1 A 12 12 MET CA C 12 59.263 58.239 1.024 1
1 149 . 28 1 1 A 12 12 MET CB C 12 31.845 32.158 -0.313 1
1 152 . 28 1 1 A 12 12 MET N N 12 124.102 119.980 4.122 1
1 153 . 28 1 1 A 13 13 VAL H H 13 7.820 8.456 -0.636 1
1 154 . 28 1 1 A 13 13 VAL HA H 13 3.937 4.037 -0.100 1
1 162 . 28 1 1 A 13 13 VAL C C 13 177.127 178.587 -1.460 1
1 163 . 28 1 1 A 13 13 VAL CA C 13 65.677 66.396 -0.719 1
1 164 . 28 1 1 A 13 13 VAL CB C 13 31.656 31.671 -0.015 1
1 167 . 28 1 1 A 13 13 VAL N N 13 119.838 119.498 0.340 1
1 168 . 28 1 1 A 14 14 THR H H 14 9.107 8.411 0.696 1
1 169 . 28 1 1 A 14 14 THR HA H 14 3.654 3.986 -0.332 1
1 174 . 28 1 1 A 14 14 THR C C 14 177.527 176.938 0.589 1
1 175 . 28 1 1 A 14 14 THR CA C 14 65.273 65.830 -0.557 1
1 176 . 28 1 1 A 14 14 THR CB C 14 67.652 68.298 -0.646 1
1 178 . 28 1 1 A 14 14 THR N N 14 112.247 116.618 -4.371 1
1 179 . 28 1 1 A 15 15 THR H H 15 8.189 8.000 0.189 1
1 180 . 28 1 1 A 15 15 THR HA H 15 3.864 4.154 -0.290 1
1 186 . 28 1 1 A 15 15 THR C C 15 173.627 176.555 -2.928 1
1 187 . 28 1 1 A 15 15 THR CA C 15 66.930 65.940 0.990 1
1 188 . 28 1 1 A 15 15 THR CB C 15 66.539 67.417 -0.878 1
1 190 . 28 1 1 A 15 15 THR N N 15 117.691 113.429 4.262 1
1 191 . 28 1 1 A 16 16 PHE H H 16 6.850 8.300 -1.450 1
1 192 . 28 1 1 A 16 16 PHE HA H 16 3.417 4.006 -0.589 1
1 199 . 28 1 1 A 16 16 PHE C C 16 175.627 177.218 -1.591 1
1 200 . 28 1 1 A 16 16 PHE CA C 16 61.577 61.600 -0.023 1
1 201 . 28 1 1 A 16 16 PHE CB C 16 38.177 39.231 -1.054 1
1 202 . 28 1 1 A 16 16 PHE N N 16 120.169 124.082 -3.913 1
1 203 . 28 1 1 A 17 17 HIS H H 17 6.924 8.531 -1.607 1
1 204 . 28 1 1 A 17 17 HIS HA H 17 4.755 4.353 0.402 1
1 207 . 28 1 1 A 17 17 HIS C C 17 176.227 176.871 -0.644 1
1 208 . 28 1 1 A 17 17 HIS CA C 17 56.810 60.577 -3.767 1
1 209 . 28 1 1 A 17 17 HIS CB C 17 29.597 30.222 -0.625 1
1 210 . 28 1 1 A 17 17 HIS N N 17 115.499 117.271 -1.772 1
1 211 . 28 1 1 A 18 18 LYS H H 18 7.888 7.677 0.211 1
1 212 . 28 1 1 A 18 18 LYS HA H 18 3.870 4.086 -0.216 1
1 221 . 28 1 1 A 18 18 LYS C C 18 176.927 178.036 -1.109 1
1 222 . 28 1 1 A 18 18 LYS CA C 18 57.897 59.174 -1.277 1
1 223 . 28 1 1 A 18 18 LYS CB C 18 31.582 32.202 -0.620 1
1 227 . 28 1 1 A 18 18 LYS N N 18 121.217 119.560 1.657 1
1 228 . 28 1 1 A 19 19 TYR H H 19 6.928 7.779 -0.851 1
1 229 . 28 1 1 A 19 19 TYR HA H 19 4.163 4.335 -0.172 1
1 234 . 28 1 1 A 19 19 TYR C C 19 175.027 177.386 -2.359 1
1 235 . 28 1 1 A 19 19 TYR CA C 19 59.335 59.444 -0.109 1
1 236 . 28 1 1 A 19 19 TYR CB C 19 39.515 39.604 -0.089 1
1 237 . 28 1 1 A 19 19 TYR N N 19 114.488 117.200 -2.712 1
1 238 . 28 1 1 A 20 20 SER H H 20 8.021 8.788 -0.767 1
1 239 . 28 1 1 A 20 20 SER HA H 20 3.105 3.963 -0.858 1
1 242 . 28 1 1 A 20 20 SER C C 20 176.527 176.494 0.033 1
1 243 . 28 1 1 A 20 20 SER CA C 20 60.457 61.090 -0.633 1
1 244 . 28 1 1 A 20 20 SER CB C 20 60.326 61.660 -1.334 1
1 245 . 28 1 1 A 20 20 SER N N 20 112.624 115.494 -2.870 1
1 246 . 28 1 1 A 21 21 GLY H H 21 7.908 7.995 -0.087 1
1 247 . 28 1 1 A 21 21 GLY HA2 H 21 4.197 3.888 0.309 1
1 248 . 28 1 1 A 21 21 GLY HA3 H 21 3.761 3.928 -0.167 1
1 249 . 28 1 1 A 21 21 GLY C C 21 173.027 175.203 -2.176 1
1 250 . 28 1 1 A 21 21 GLY CA C 21 44.357 45.759 -1.402 1
1 251 . 28 1 1 A 21 21 GLY N N 21 112.095 109.356 2.739 1
1 252 . 28 1 1 A 22 22 ARG H H 22 7.470 7.704 -0.234 1
1 253 . 28 1 1 A 22 22 ARG HA H 22 3.956 4.027 -0.071 1
1 260 . 28 1 1 A 22 22 ARG C C 22 176.327 175.728 0.599 1
1 261 . 28 1 1 A 22 22 ARG CA C 22 58.189 58.359 -0.170 1
1 262 . 28 1 1 A 22 22 ARG CB C 22 29.483 30.729 -1.246 1
1 265 . 28 1 1 A 22 22 ARG N N 22 122.481 120.777 1.704 1
1 266 . 28 1 1 A 23 23 GLU H H 23 9.412 7.878 1.534 1
1 267 . 28 1 1 A 23 23 GLU HA H 23 4.626 4.646 -0.020 1
1 272 . 28 1 1 A 23 23 GLU C C 23 175.027 175.835 -0.808 1
1 273 . 28 1 1 A 23 23 GLU CA C 23 53.319 55.589 -2.270 1
1 274 . 28 1 1 A 23 23 GLU CB C 23 32.032 32.792 -0.760 1
1 276 . 28 1 1 A 23 23 GLU N N 23 116.123 117.559 -1.436 1
1 277 . 28 1 1 A 24 24 GLY H H 24 9.080 8.595 0.485 1
1 278 . 28 1 1 A 24 24 GLY HA2 H 24 3.694 3.870 -0.176 1
1 279 . 28 1 1 A 24 24 GLY HA3 H 24 3.878 3.878 0.000 1
1 280 . 28 1 1 A 24 24 GLY C C 24 172.827 173.879 -1.052 1
1 281 . 28 1 1 A 24 24 GLY CA C 24 44.707 46.733 -2.026 1
1 282 . 28 1 1 A 24 24 GLY N N 24 114.015 113.452 0.563 1
1 283 . 28 1 1 A 25 25 SER H H 25 8.465 8.900 -0.435 1
1 284 . 28 1 1 A 25 25 SER HA H 25 4.312 4.336 -0.024 1
1 287 . 28 1 1 A 25 25 SER C C 25 178.027 175.849 2.178 1
1 288 . 28 1 1 A 25 25 SER CA C 25 57.478 59.382 -1.904 1
1 289 . 28 1 1 A 25 25 SER CB C 25 61.941 63.844 -1.903 1
1 290 . 28 1 1 A 25 25 SER N N 25 117.299 119.489 -2.190 1
1 291 . 28 1 1 A 26 26 LYS H H 26 9.532 8.622 0.910 1
1 292 . 28 1 1 A 26 26 LYS HA H 26 4.660 4.357 0.303 1
1 301 . 28 1 1 A 26 26 LYS C C 26 176.127 177.356 -1.229 1
1 302 . 28 1 1 A 26 26 LYS CA C 26 56.928 58.182 -1.254 1
1 303 . 28 1 1 A 26 26 LYS CB C 26 30.526 33.165 -2.639 1
1 307 . 28 1 1 A 26 26 LYS N N 26 131.209 122.960 8.249 1
1 308 . 28 1 1 A 27 27 LEU H H 27 8.643 7.706 0.937 1
1 309 . 28 1 1 A 27 27 LEU HA H 27 4.583 4.241 0.342 1
1 319 . 28 1 1 A 27 27 LEU C C 27 174.827 176.102 -1.275 1
1 320 . 28 1 1 A 27 27 LEU CA C 27 53.205 56.156 -2.951 1
1 321 . 28 1 1 A 27 27 LEU CB C 27 41.824 42.361 -0.537 1
1 325 . 28 1 1 A 27 27 LEU N N 27 118.729 115.996 2.733 1
1 326 . 28 1 1 A 28 28 THR H H 28 7.037 7.445 -0.408 1
1 327 . 28 1 1 A 28 28 THR HA H 28 5.168 4.955 0.213 1
1 332 . 28 1 1 A 28 28 THR C C 28 172.727 172.614 0.113 1
1 333 . 28 1 1 A 28 28 THR CA C 28 57.915 59.428 -1.513 1
1 334 . 28 1 1 A 28 28 THR CB C 28 71.934 71.837 0.097 1
1 336 . 28 1 1 A 28 28 THR N N 28 104.663 108.766 -4.103 1
1 337 . 28 1 1 A 29 29 LEU H H 29 9.517 8.554 0.963 1
1 338 . 28 1 1 A 29 29 LEU HA H 29 5.196 4.848 0.348 1
1 348 . 28 1 1 A 29 29 LEU C C 29 175.527 176.036 -0.509 1
1 349 . 28 1 1 A 29 29 LEU CA C 29 51.653 53.486 -1.833 1
1 350 . 28 1 1 A 29 29 LEU CB C 29 42.301 42.924 -0.623 1
1 354 . 28 1 1 A 29 29 LEU N N 29 125.388 124.052 1.336 1
1 355 . 28 1 1 A 30 30 SER H H 30 10.053 9.258 0.795 1
1 356 . 28 1 1 A 30 30 SER HA H 30 4.475 4.882 -0.407 1
1 359 . 28 1 1 A 30 30 SER C C 30 173.427 175.237 -1.810 1
1 360 . 28 1 1 A 30 30 SER CA C 30 55.011 57.370 -2.359 1
1 361 . 28 1 1 A 30 30 SER CB C 30 64.446 65.404 -0.958 1
1 362 . 28 1 1 A 30 30 SER N N 30 121.114 120.433 0.681 1
1 363 . 28 1 1 A 31 31 ARG H H 31 8.992 8.922 0.070 1
1 364 . 28 1 1 A 31 31 ARG HA H 31 3.923 4.073 -0.150 1
1 371 . 28 1 1 A 31 31 ARG C C 31 177.027 177.485 -0.458 1
1 372 . 28 1 1 A 31 31 ARG CA C 31 59.408 59.074 0.334 1
1 373 . 28 1 1 A 31 31 ARG CB C 31 29.041 29.869 -0.828 1
1 376 . 28 1 1 A 31 31 ARG N N 31 120.513 124.175 -3.662 1
1 377 . 28 1 1 A 32 32 LYS H H 32 7.845 7.519 0.326 1
1 378 . 28 1 1 A 32 32 LYS HA H 32 3.826 4.301 -0.475 1
1 387 . 28 1 1 A 32 32 LYS C C 32 178.927 178.750 0.177 1
1 388 . 28 1 1 A 32 32 LYS CA C 32 58.677 57.634 1.043 1
1 389 . 28 1 1 A 32 32 LYS CB C 32 31.964 33.211 -1.247 1
1 393 . 28 1 1 A 32 32 LYS N N 32 117.011 119.000 -1.989 1
1 394 . 28 1 1 A 33 33 GLU H H 33 7.612 8.245 -0.633 1
1 395 . 28 1 1 A 33 33 GLU HA H 33 3.954 4.000 -0.046 1
1 400 . 28 1 1 A 33 33 GLU C C 33 177.227 179.124 -1.897 1
1 401 . 28 1 1 A 33 33 GLU CA C 33 58.289 59.235 -0.946 1
1 402 . 28 1 1 A 33 33 GLU CB C 33 29.757 29.362 0.395 1
1 404 . 28 1 1 A 33 33 GLU N N 33 120.815 120.221 0.594 1
1 405 . 28 1 1 A 34 34 LEU H H 34 8.694 8.164 0.530 1
1 406 . 28 1 1 A 34 34 LEU HA H 34 3.811 3.981 -0.170 1
1 416 . 28 1 1 A 34 34 LEU C C 34 176.927 178.399 -1.472 1
1 417 . 28 1 1 A 34 34 LEU CA C 34 57.025 57.854 -0.829 1
1 418 . 28 1 1 A 34 34 LEU CB C 34 40.638 41.635 -0.997 1
1 422 . 28 1 1 A 34 34 LEU N N 34 119.291 121.306 -2.015 1
1 423 . 28 1 1 A 35 35 LYS H H 35 8.114 8.112 0.002 1
1 424 . 28 1 1 A 35 35 LYS HA H 35 3.569 3.864 -0.295 1
1 433 . 28 1 1 A 35 35 LYS C C 35 177.027 178.810 -1.783 1
1 434 . 28 1 1 A 35 35 LYS CA C 35 59.419 59.870 -0.451 1
1 435 . 28 1 1 A 35 35 LYS CB C 35 31.271 32.172 -0.901 1
1 439 . 28 1 1 A 35 35 LYS N N 35 117.277 118.908 -1.631 1
1 440 . 28 1 1 A 36 36 GLU H H 36 7.560 8.180 -0.620 1
1 441 . 28 1 1 A 36 36 GLU HA H 36 3.845 4.247 -0.402 1
1 446 . 28 1 1 A 36 36 GLU C C 36 175.827 179.232 -3.405 1
1 447 . 28 1 1 A 36 36 GLU CA C 36 58.190 58.702 -0.512 1
1 448 . 28 1 1 A 36 36 GLU CB C 36 28.253 29.365 -1.112 1
1 450 . 28 1 1 A 36 36 GLU N N 36 119.302 118.970 0.332 1
1 451 . 28 1 1 A 37 37 LEU H H 37 7.682 8.258 -0.576 1
1 452 . 28 1 1 A 37 37 LEU HA H 37 2.280 3.823 -1.543 1
1 462 . 28 1 1 A 37 37 LEU C C 37 178.327 179.117 -0.790 1
1 463 . 28 1 1 A 37 37 LEU CA C 37 58.225 57.970 0.255 1
1 464 . 28 1 1 A 37 37 LEU CB C 37 41.090 41.947 -0.857 1
1 468 . 28 1 1 A 37 37 LEU N N 37 121.690 119.777 1.913 1
1 469 . 28 1 1 A 38 38 ILE H H 38 8.157 7.981 0.176 1
1 470 . 28 1 1 A 38 38 ILE HA H 38 3.292 3.689 -0.397 1
1 480 . 28 1 1 A 38 38 ILE C C 38 177.027 177.798 -0.771 1
1 481 . 28 1 1 A 38 38 ILE CA C 38 65.007 65.856 -0.849 1
1 482 . 28 1 1 A 38 38 ILE CB C 38 37.187 37.815 -0.628 1
1 486 . 28 1 1 A 38 38 ILE N N 38 117.626 119.106 -1.480 1
1 487 . 28 1 1 A 39 39 LYS H H 39 8.068 7.576 0.492 1
1 488 . 28 1 1 A 39 39 LYS HA H 39 3.876 4.118 -0.242 1
1 497 . 28 1 1 A 39 39 LYS C C 39 177.927 178.826 -0.899 1
1 498 . 28 1 1 A 39 39 LYS CA C 39 58.204 59.215 -1.011 1
1 499 . 28 1 1 A 39 39 LYS CB C 39 31.731 31.896 -0.165 1
1 503 . 28 1 1 A 39 39 LYS N N 39 117.909 118.820 -0.911 1
1 504 . 28 1 1 A 40 40 LYS H H 40 8.094 7.859 0.235 1
1 505 . 28 1 1 A 40 40 LYS HA H 40 4.248 4.182 0.066 1
1 514 . 28 1 1 A 40 40 LYS C C 40 178.227 178.935 -0.708 1
1 515 . 28 1 1 A 40 40 LYS CA C 40 56.291 59.108 -2.817 1
1 516 . 28 1 1 A 40 40 LYS CB C 40 32.652 32.951 -0.299 1
1 520 . 28 1 1 A 40 40 LYS N N 40 114.323 118.922 -4.599 1
1 521 . 28 1 1 A 41 41 GLU H H 41 8.381 8.783 -0.402 1
1 522 . 28 1 1 A 41 41 GLU HA H 41 4.744 4.189 0.555 1
1 527 . 28 1 1 A 41 41 GLU C C 41 176.227 178.033 -1.806 1
1 528 . 28 1 1 A 41 41 GLU CA C 41 55.054 58.722 -3.668 1
1 529 . 28 1 1 A 41 41 GLU CB C 41 29.598 30.147 -0.549 1
1 531 . 28 1 1 A 41 41 GLU N N 41 113.079 118.885 -5.806 1
1 532 . 28 1 1 A 42 42 LEU H H 42 7.544 7.965 -0.421 1
1 533 . 28 1 1 A 42 42 LEU HA H 42 4.754 4.565 0.189 1
1 542 . 28 1 1 A 42 42 LEU CA C 42 52.564 53.896 -1.332 1
1 543 . 28 1 1 A 42 42 LEU CB C 42 43.848 39.989 3.859 1
1 546 . 28 1 1 A 42 42 LEU N N 42 118.458 119.600 -1.142 1
1 547 . 28 1 1 A 43 43 CYS H H 43 8.342 7.897 0.445 1
1 548 . 28 1 1 A 43 43 CYS HA H 43 4.486 4.412 0.074 1
1 551 . 28 1 1 A 43 43 CYS C C 43 174.327 175.900 -1.573 1
1 552 . 28 1 1 A 43 43 CYS CA C 43 57.655 60.474 -2.819 1
1 553 . 28 1 1 A 43 43 CYS CB C 43 25.653 27.171 -1.518 1
1 554 . 28 1 1 A 44 44 LEU H H 44 8.123 7.747 0.376 1
1 555 . 28 1 1 A 44 44 LEU HA H 44 4.339 4.155 0.184 1
1 565 . 28 1 1 A 44 44 LEU C C 44 176.927 177.548 -0.621 1
1 566 . 28 1 1 A 44 44 LEU CA C 44 53.750 55.941 -2.191 1
1 567 . 28 1 1 A 44 44 LEU CB C 44 40.784 42.759 -1.975 1
1 571 . 28 1 1 A 44 44 LEU N N 44 121.974 119.664 2.310 1
1 572 . 28 1 1 A 45 45 GLY H H 45 8.072 8.056 0.016 1
1 573 . 28 1 1 A 45 45 GLY HA2 H 45 3.889 3.956 -0.067 1
1 574 . 28 1 1 A 45 45 GLY HA3 H 45 3.698 4.007 -0.309 1
1 575 . 28 1 1 A 45 45 GLY C C 45 173.127 174.110 -0.983 1
1 576 . 28 1 1 A 45 45 GLY CA C 45 44.291 46.560 -2.269 1
1 577 . 28 1 1 A 45 45 GLY N N 45 107.819 107.803 0.016 1
1 578 . 28 1 1 A 46 46 GLU H H 46 8.472 8.805 -0.333 1
1 579 . 28 1 1 A 46 46 GLU HA H 46 4.048 4.169 -0.121 1
1 584 . 28 1 1 A 46 46 GLU C C 46 175.727 175.798 -0.071 1
1 585 . 28 1 1 A 46 46 GLU CA C 46 56.461 59.027 -2.566 1
1 586 . 28 1 1 A 46 46 GLU CB C 46 28.208 29.310 -1.102 1
1 588 . 28 1 1 A 46 46 GLU N N 46 120.563 122.656 -2.093 1
1 589 . 28 1 1 A 47 47 MET H H 47 8.189 8.212 -0.023 1
1 590 . 28 1 1 A 47 47 MET HA H 47 4.413 4.417 -0.004 1
1 598 . 28 1 1 A 47 47 MET C C 47 175.027 175.883 -0.856 1
1 599 . 28 1 1 A 47 47 MET CA C 47 53.905 55.130 -1.225 1
1 600 . 28 1 1 A 47 47 MET CB C 47 32.611 32.768 -0.157 1
1 603 . 28 1 1 A 47 47 MET N N 47 123.201 119.091 4.110 1
1 604 . 28 1 1 A 48 48 LYS H H 48 8.355 8.629 -0.274 1
1 605 . 28 1 1 A 48 48 LYS HA H 48 4.237 4.332 -0.095 1
1 614 . 28 1 1 A 48 48 LYS C C 48 177.027 177.792 -0.765 1
1 615 . 28 1 1 A 48 48 LYS CA C 48 55.443 56.419 -0.976 1
1 616 . 28 1 1 A 48 48 LYS CB C 48 32.173 33.005 -0.832 1
1 620 . 28 1 1 A 48 48 LYS N N 48 123.046 124.418 -1.372 1
1 621 . 28 1 1 A 49 49 GLU H H 49 8.742 9.048 -0.306 1
1 622 . 28 1 1 A 49 49 GLU HA H 49 3.884 4.033 -0.149 1
1 627 . 28 1 1 A 49 49 GLU C C 49 177.727 177.505 0.222 1
1 628 . 28 1 1 A 49 49 GLU CA C 49 58.534 59.683 -1.149 1
1 629 . 28 1 1 A 49 49 GLU CB C 49 27.870 29.411 -1.541 1
1 631 . 28 1 1 A 49 49 GLU N N 49 122.407 123.941 -1.534 1
1 632 . 28 1 1 A 50 50 SER H H 50 8.324 8.050 0.274 1
1 633 . 28 1 1 A 50 50 SER HA H 50 4.188 4.278 -0.090 1
1 636 . 28 1 1 A 50 50 SER C C 50 175.427 177.117 -1.690 1
1 637 . 28 1 1 A 50 50 SER CA C 50 59.402 60.653 -1.251 1
1 638 . 28 1 1 A 50 50 SER CB C 50 61.442 63.072 -1.630 1
1 639 . 28 1 1 A 50 50 SER N N 50 112.475 114.939 -2.464 1
1 640 . 28 1 1 A 51 51 SER H H 51 7.400 8.104 -0.704 1
1 641 . 28 1 1 A 51 51 SER HA H 51 3.926 4.263 -0.337 1
1 644 . 28 1 1 A 51 51 SER C C 51 176.027 176.983 -0.956 1
1 645 . 28 1 1 A 51 51 SER CA C 51 59.762 61.086 -1.324 1
1 646 . 28 1 1 A 51 51 SER CB C 51 60.955 63.029 -2.074 1
1 647 . 28 1 1 A 51 51 SER N N 51 118.432 114.627 3.805 1
1 648 . 28 1 1 A 52 52 ILE H H 52 7.790 7.705 0.085 1
1 649 . 28 1 1 A 52 52 ILE HA H 52 3.642 3.666 -0.024 1
1 659 . 28 1 1 A 52 52 ILE C C 52 176.427 178.223 -1.796 1
1 660 . 28 1 1 A 52 52 ILE CA C 52 61.984 65.051 -3.067 1
1 661 . 28 1 1 A 52 52 ILE CB C 52 34.990 37.468 -2.478 1
1 665 . 28 1 1 A 52 52 ILE N N 52 123.838 121.594 2.244 1
1 666 . 28 1 1 A 53 53 ASP H H 53 8.092 8.269 -0.177 1
1 667 . 28 1 1 A 53 53 ASP HA H 53 4.225 4.279 -0.054 1
1 670 . 28 1 1 A 53 53 ASP C C 53 178.227 178.350 -0.123 1
1 671 . 28 1 1 A 53 53 ASP CA C 53 56.606 57.782 -1.176 1
1 672 . 28 1 1 A 53 53 ASP CB C 53 39.034 40.945 -1.911 1
1 673 . 28 1 1 A 53 53 ASP N N 53 121.313 121.639 -0.326 1
1 674 . 28 1 1 A 54 54 ASP H H 54 7.811 7.533 0.278 1
1 675 . 28 1 1 A 54 54 ASP HA H 54 4.253 4.490 -0.237 1
1 678 . 28 1 1 A 54 54 ASP C C 54 177.927 178.472 -0.545 1
1 679 . 28 1 1 A 54 54 ASP CA C 54 56.467 57.277 -0.810 1
1 680 . 28 1 1 A 54 54 ASP CB C 54 39.401 41.075 -1.674 1
1 681 . 28 1 1 A 54 54 ASP N N 54 120.122 118.063 2.059 1
1 682 . 28 1 1 A 55 55 LEU H H 55 7.789 7.882 -0.093 1
1 683 . 28 1 1 A 55 55 LEU HA H 55 3.979 4.012 -0.033 1
1 693 . 28 1 1 A 55 55 LEU C C 55 178.027 178.250 -0.223 1
1 694 . 28 1 1 A 55 55 LEU CA C 55 56.713 58.424 -1.711 1
1 695 . 28 1 1 A 55 55 LEU CB C 55 40.799 41.692 -0.893 1
1 699 . 28 1 1 A 55 55 LEU N N 55 122.944 122.134 0.810 1
1 700 . 28 1 1 A 56 56 MET H H 56 8.601 8.483 0.118 1
1 701 . 28 1 1 A 56 56 MET HA H 56 3.827 4.106 -0.279 1
1 709 . 28 1 1 A 56 56 MET C C 56 177.027 178.305 -1.278 1
1 710 . 28 1 1 A 56 56 MET CA C 56 57.116 58.128 -1.012 1
1 711 . 28 1 1 A 56 56 MET CB C 56 29.825 32.307 -2.482 1
1 714 . 28 1 1 A 56 56 MET N N 56 117.863 117.678 0.185 1
1 715 . 28 1 1 A 57 57 LYS H H 57 7.693 7.946 -0.253 1
1 716 . 28 1 1 A 57 57 LYS HA H 57 3.954 4.120 -0.166 1
1 725 . 28 1 1 A 57 57 LYS C C 57 178.127 178.101 0.026 1
1 726 . 28 1 1 A 57 57 LYS CA C 57 58.352 58.797 -0.445 1
1 727 . 28 1 1 A 57 57 LYS CB C 57 31.315 32.036 -0.721 1
1 731 . 28 1 1 A 57 57 LYS N N 57 116.455 121.341 -4.886 1
1 732 . 28 1 1 A 58 58 SER H H 58 7.661 7.673 -0.012 1
1 733 . 28 1 1 A 58 58 SER HA H 58 4.115 4.279 -0.164 1
1 736 . 28 1 1 A 58 58 SER C C 58 174.827 177.182 -2.355 1
1 737 . 28 1 1 A 58 58 SER CA C 58 59.986 61.007 -1.021 1
1 738 . 28 1 1 A 58 58 SER CB C 58 62.464 63.010 -0.546 1
1 739 . 28 1 1 A 58 58 SER N N 58 113.020 114.841 -1.821 1
1 740 . 28 1 1 A 59 59 LEU H H 59 7.917 7.462 0.455 1
1 741 . 28 1 1 A 59 59 LEU HA H 59 4.269 4.085 0.184 1
1 751 . 28 1 1 A 59 59 LEU C C 59 177.627 178.229 -0.602 1
1 752 . 28 1 1 A 59 59 LEU CA C 59 54.402 58.138 -3.736 1
1 753 . 28 1 1 A 59 59 LEU CB C 59 43.731 41.696 2.035 1
1 757 . 28 1 1 A 59 59 LEU N N 59 117.463 120.259 -2.796 1
1 758 . 28 1 1 A 60 60 ASP H H 60 8.025 7.771 0.254 1
1 759 . 28 1 1 A 60 60 ASP HA H 60 4.566 4.684 -0.118 1
1 762 . 28 1 1 A 60 60 ASP C C 60 176.627 176.611 0.016 1
1 763 . 28 1 1 A 60 60 ASP CA C 60 52.335 53.234 -0.899 1
1 764 . 28 1 1 A 60 60 ASP CB C 60 38.139 39.612 -1.473 1
1 765 . 28 1 1 A 60 60 ASP N N 60 117.588 117.527 0.061 1
1 766 . 28 1 1 A 61 61 LYS H H 61 8.100 8.141 -0.041 1
1 767 . 28 1 1 A 61 61 LYS HA H 61 4.035 4.065 -0.030 1
1 776 . 28 1 1 A 61 61 LYS C C 61 176.727 177.251 -0.524 1
1 777 . 28 1 1 A 61 61 LYS CA C 61 56.887 58.367 -1.480 1
1 778 . 28 1 1 A 61 61 LYS CB C 61 31.653 32.561 -0.908 1
1 782 . 28 1 1 A 61 61 LYS N N 61 126.943 125.923 1.020 1
1 783 . 28 1 1 A 62 62 ASN H H 62 7.864 7.997 -0.133 1
1 784 . 28 1 1 A 62 62 ASN HA H 62 4.759 4.797 -0.038 1
1 789 . 28 1 1 A 62 62 ASN C C 62 173.727 175.262 -1.535 1
1 790 . 28 1 1 A 62 62 ASN CA C 62 50.660 53.197 -2.537 1
1 791 . 28 1 1 A 62 62 ASN CB C 62 35.920 39.529 -3.609 1
1 792 . 28 1 1 A 62 62 ASN N N 62 113.588 115.666 -2.078 1
1 794 . 28 1 1 A 63 63 SER H H 63 7.613 8.230 -0.617 1
1 795 . 28 1 1 A 63 63 SER HA H 63 3.962 4.459 -0.497 1
1 798 . 28 1 1 A 63 63 SER C C 63 172.927 174.170 -1.243 1
1 799 . 28 1 1 A 63 63 SER CA C 63 58.262 59.461 -1.199 1
1 800 . 28 1 1 A 63 63 SER CB C 63 60.708 61.277 -0.569 1
1 801 . 28 1 1 A 63 63 SER N N 63 111.592 110.245 1.347 1
1 802 . 28 1 1 A 64 64 ASP H H 64 8.217 8.217 0.000 1
1 803 . 28 1 1 A 64 64 ASP HA H 64 4.653 4.498 0.155 1
1 806 . 28 1 1 A 64 64 ASP C C 64 175.927 176.729 -0.802 1
1 807 . 28 1 1 A 64 64 ASP CA C 64 51.641 53.502 -1.861 1
1 808 . 28 1 1 A 64 64 ASP CB C 64 39.385 40.350 -0.965 1
1 809 . 28 1 1 A 64 64 ASP N N 64 118.913 119.356 -0.443 1
1 810 . 28 1 1 A 65 65 GLN H H 65 10.239 8.280 1.959 1
1 811 . 28 1 1 A 65 65 GLN HA H 65 3.356 3.933 -0.577 1
1 818 . 28 1 1 A 65 65 GLN C C 65 172.627 174.642 -2.015 1
1 819 . 28 1 1 A 65 65 GLN CA C 65 56.325 57.224 -0.899 1
1 820 . 28 1 1 A 65 65 GLN CB C 65 24.910 27.694 -2.784 1
1 822 . 28 1 1 A 65 65 GLN N N 65 114.908 115.958 -1.050 1
1 824 . 28 1 1 A 66 66 GLU H H 66 7.710 7.832 -0.122 1
1 825 . 28 1 1 A 66 66 GLU HA H 66 4.691 4.696 -0.005 1
1 830 . 28 1 1 A 66 66 GLU C C 66 174.127 175.804 -1.677 1
1 831 . 28 1 1 A 66 66 GLU CA C 66 52.987 55.373 -2.386 1
1 832 . 28 1 1 A 66 66 GLU CB C 66 32.433 31.608 0.825 1
1 834 . 28 1 1 A 66 66 GLU N N 66 115.721 119.375 -3.654 1
1 835 . 28 1 1 A 67 67 ILE H H 67 9.938 8.809 1.129 1
1 836 . 28 1 1 A 67 67 ILE HA H 67 5.291 4.397 0.894 1
1 846 . 28 1 1 A 67 67 ILE C C 67 175.627 175.629 -0.002 1
1 847 . 28 1 1 A 67 67 ILE CA C 67 56.241 61.276 -5.035 1
1 848 . 28 1 1 A 67 67 ILE CB C 67 35.492 37.359 -1.867 1
1 852 . 28 1 1 A 67 67 ILE N N 67 125.901 126.037 -0.136 1
1 853 . 28 1 1 A 68 68 ASP H H 68 8.794 8.880 -0.086 1
1 854 . 28 1 1 A 68 68 ASP HA H 68 5.002 4.840 0.162 1
1 857 . 28 1 1 A 68 68 ASP C C 68 174.427 177.760 -3.333 1
1 858 . 28 1 1 A 68 68 ASP CA C 68 51.563 54.124 -2.561 1
1 859 . 28 1 1 A 68 68 ASP CB C 68 40.493 41.583 -1.090 1
1 860 . 28 1 1 A 68 68 ASP N N 68 127.844 128.436 -0.592 1
1 861 . 28 1 1 A 69 69 PHE H H 69 9.068 9.212 -0.144 1
1 862 . 28 1 1 A 69 69 PHE HA H 69 3.130 3.921 -0.791 1
1 869 . 28 1 1 A 69 69 PHE C C 69 176.827 177.347 -0.520 1
1 870 . 28 1 1 A 69 69 PHE CA C 69 62.478 61.993 0.485 1
1 871 . 28 1 1 A 69 69 PHE CB C 69 38.096 39.439 -1.343 1
1 872 . 28 1 1 A 69 69 PHE N N 69 118.955 123.216 -4.261 1
1 873 . 28 1 1 A 70 70 LYS H H 70 8.123 8.413 -0.290 1
1 874 . 28 1 1 A 70 70 LYS HA H 70 3.871 4.115 -0.244 1
1 883 . 28 1 1 A 70 70 LYS C C 70 179.527 178.665 0.862 1
1 884 . 28 1 1 A 70 70 LYS CA C 70 59.457 58.602 0.855 1
1 885 . 28 1 1 A 70 70 LYS CB C 70 30.772 31.749 -0.977 1
1 889 . 28 1 1 A 70 70 LYS N N 70 120.287 117.133 3.154 1
1 890 . 28 1 1 A 71 71 GLU H H 71 8.746 8.250 0.496 1
1 891 . 28 1 1 A 71 71 GLU HA H 71 4.099 4.411 -0.312 1
1 896 . 28 1 1 A 71 71 GLU C C 71 179.127 178.949 0.178 1
1 897 . 28 1 1 A 71 71 GLU CA C 71 57.934 58.612 -0.678 1
1 898 . 28 1 1 A 71 71 GLU CB C 71 29.266 30.710 -1.444 1
1 900 . 28 1 1 A 71 71 GLU N N 71 122.207 118.948 3.259 1
1 901 . 28 1 1 A 72 72 TYR H H 72 8.879 8.489 0.390 1
1 902 . 28 1 1 A 72 72 TYR HA H 72 4.010 4.203 -0.193 1
1 909 . 28 1 1 A 72 72 TYR C C 72 175.927 178.236 -2.309 1
1 910 . 28 1 1 A 72 72 TYR CA C 72 58.551 61.853 -3.302 1
1 911 . 28 1 1 A 72 72 TYR CB C 72 38.072 39.115 -1.043 1
1 912 . 28 1 1 A 72 72 TYR N N 72 121.813 122.689 -0.876 1
1 913 . 28 1 1 A 73 73 SER H H 73 8.414 8.626 -0.212 1
1 914 . 28 1 1 A 73 73 SER HA H 73 3.462 4.361 -0.899 1
1 917 . 28 1 1 A 73 73 SER C C 73 175.127 176.369 -1.242 1
1 918 . 28 1 1 A 73 73 SER CA C 73 61.876 61.469 0.407 1
1 919 . 28 1 1 A 73 73 SER CB C 73 61.327 62.963 -1.636 1
1 920 . 28 1 1 A 73 73 SER N N 73 117.840 114.793 3.047 1
1 921 . 28 1 1 A 74 74 VAL H H 74 7.363 8.046 -0.683 1
1 922 . 28 1 1 A 74 74 VAL HA H 74 3.584 3.872 -0.288 1
1 930 . 28 1 1 A 74 74 VAL C C 74 178.027 178.054 -0.027 1
1 931 . 28 1 1 A 74 74 VAL CA C 74 65.397 65.600 -0.203 1
1 932 . 28 1 1 A 74 74 VAL CB C 74 30.300 31.145 -0.845 1
1 935 . 28 1 1 A 74 74 VAL N N 74 123.439 119.419 4.020 1
1 936 . 28 1 1 A 75 75 PHE H H 75 7.282 8.164 -0.882 1
1 937 . 28 1 1 A 75 75 PHE HA H 75 4.562 3.986 0.576 1
1 945 . 28 1 1 A 75 75 PHE C C 75 176.127 176.897 -0.770 1
1 946 . 28 1 1 A 75 75 PHE CA C 75 57.851 61.062 -3.211 1
1 947 . 28 1 1 A 75 75 PHE CB C 75 36.863 38.698 -1.835 1
1 948 . 28 1 1 A 75 75 PHE N N 75 122.766 124.036 -1.270 1
1 949 . 28 1 1 A 76 76 LEU H H 76 7.823 8.398 -0.575 1
1 950 . 28 1 1 A 76 76 LEU HA H 76 3.445 3.467 -0.022 1
1 960 . 28 1 1 A 76 76 LEU C C 76 178.927 178.997 -0.070 1
1 961 . 28 1 1 A 76 76 LEU CA C 76 56.891 57.786 -0.895 1
1 962 . 28 1 1 A 76 76 LEU CB C 76 39.917 41.165 -1.248 1
1 966 . 28 1 1 A 76 76 LEU N N 76 115.619 119.122 -3.503 1
1 967 . 28 1 1 A 77 77 THR H H 77 7.858 7.979 -0.121 1
1 968 . 28 1 1 A 77 77 THR HA H 77 3.665 3.766 -0.101 1
1 974 . 28 1 1 A 77 77 THR C C 77 175.427 176.809 -1.382 1
1 975 . 28 1 1 A 77 77 THR CA C 77 66.127 66.952 -0.825 1
1 976 . 28 1 1 A 77 77 THR CB C 77 67.585 68.671 -1.086 1
1 978 . 28 1 1 A 77 77 THR N N 77 113.417 116.023 -2.606 1
1 979 . 28 1 1 A 78 78 MET H H 78 7.970 8.407 -0.437 1
1 980 . 28 1 1 A 78 78 MET HA H 78 3.935 3.981 -0.046 1
1 988 . 28 1 1 A 78 78 MET C C 78 179.127 178.773 0.354 1
1 989 . 28 1 1 A 78 78 MET CA C 78 58.780 58.808 -0.028 1
1 990 . 28 1 1 A 78 78 MET CB C 78 31.501 32.863 -1.362 1
1 993 . 28 1 1 A 78 78 MET N N 78 122.745 118.257 4.488 1
1 994 . 28 1 1 A 79 79 LEU H H 79 7.898 7.841 0.057 1
1 995 . 28 1 1 A 79 79 LEU HA H 79 3.870 3.884 -0.014 1
1 1005 . 28 1 1 A 79 79 LEU C C 79 178.427 178.589 -0.162 1
1 1006 . 28 1 1 A 79 79 LEU CA C 79 56.843 57.638 -0.795 1
1 1007 . 28 1 1 A 79 79 LEU CB C 79 41.099 41.365 -0.266 1
1 1011 . 28 1 1 A 79 79 LEU N N 79 120.989 119.509 1.480 1
1 1012 . 28 1 1 A 80 80 CYS H H 80 8.400 8.462 -0.062 1
1 1013 . 28 1 1 A 80 80 CYS HA H 80 3.830 4.024 -0.194 1
1 1017 . 28 1 1 A 80 80 CYS C C 80 175.927 177.595 -1.668 1
1 1018 . 28 1 1 A 80 80 CYS CA C 80 64.044 62.454 1.590 1
1 1019 . 28 1 1 A 80 80 CYS CB C 80 25.626 26.745 -1.119 1
1 1020 . 28 1 1 A 80 80 CYS N N 80 117.746 116.240 1.506 1
1 1021 . 28 1 1 A 81 81 MET H H 81 8.295 8.344 -0.049 1
1 1022 . 28 1 1 A 81 81 MET HA H 81 4.023 4.196 -0.173 1
1 1030 . 28 1 1 A 81 81 MET C C 81 177.327 178.202 -0.875 1
1 1031 . 28 1 1 A 81 81 MET CA C 81 57.601 59.011 -1.410 1
1 1032 . 28 1 1 A 81 81 MET CB C 81 30.668 32.647 -1.979 1
1 1035 . 28 1 1 A 81 81 MET N N 81 117.598 119.700 -2.102 1
1 1036 . 28 1 1 A 82 82 ALA H H 82 7.624 7.847 -0.223 1
1 1037 . 28 1 1 A 82 82 ALA HA H 82 4.061 4.153 -0.092 1
1 1041 . 28 1 1 A 82 82 ALA C C 82 179.627 179.659 -0.032 1
1 1042 . 28 1 1 A 82 82 ALA CA C 82 53.856 55.355 -1.499 1
1 1043 . 28 1 1 A 82 82 ALA CB C 82 16.794 18.712 -1.918 1
1 1044 . 28 1 1 A 82 82 ALA N N 82 121.886 121.672 0.214 1
1 1045 . 28 1 1 A 83 83 TYR H H 83 8.476 8.146 0.330 1
1 1046 . 28 1 1 A 83 83 TYR HA H 83 4.147 4.351 -0.204 1
1 1053 . 28 1 1 A 83 83 TYR C C 83 178.127 178.244 -0.117 1
1 1054 . 28 1 1 A 83 83 TYR CA C 83 60.066 61.490 -1.424 1
1 1055 . 28 1 1 A 83 83 TYR CB C 83 36.546 37.418 -0.872 1
1 1056 . 28 1 1 A 83 83 TYR N N 83 119.136 116.428 2.708 1
1 1057 . 28 1 1 A 84 84 ASN H H 84 8.386 8.265 0.121 1
1 1058 . 28 1 1 A 84 84 ASN HA H 84 4.221 4.461 -0.240 1
1 1063 . 28 1 1 A 84 84 ASN C C 84 175.427 177.363 -1.936 1
1 1064 . 28 1 1 A 84 84 ASN CA C 84 56.123 56.698 -0.575 1
1 1065 . 28 1 1 A 84 84 ASN CB C 84 37.387 39.172 -1.785 1
1 1066 . 28 1 1 A 84 84 ASN N N 84 120.692 119.983 0.709 1
1 1068 . 28 1 1 A 85 85 ASP H H 85 7.611 7.822 -0.211 1
1 1069 . 28 1 1 A 85 85 ASP HA H 85 4.234 4.440 -0.206 1
1 1072 . 28 1 1 A 85 85 ASP C C 85 178.227 178.382 -0.155 1
1 1073 . 28 1 1 A 85 85 ASP CA C 85 56.752 57.306 -0.554 1
1 1074 . 28 1 1 A 85 85 ASP CB C 85 38.688 41.208 -2.520 1
1 1075 . 28 1 1 A 85 85 ASP N N 85 118.378 119.317 -0.939 1
1 1076 . 28 1 1 A 86 86 PHE H H 86 7.538 8.120 -0.582 1
1 1077 . 28 1 1 A 86 86 PHE HA H 86 4.291 4.154 0.137 1
1 1084 . 28 1 1 A 86 86 PHE C C 86 176.627 177.682 -1.055 1
1 1085 . 28 1 1 A 86 86 PHE CA C 86 58.743 61.552 -2.809 1
1 1086 . 28 1 1 A 86 86 PHE CB C 86 37.488 39.146 -1.658 1
1 1087 . 28 1 1 A 86 86 PHE N N 86 118.712 120.426 -1.714 1
1 1088 . 28 1 1 A 87 87 PHE H H 87 8.132 8.080 0.052 1
1 1089 . 28 1 1 A 87 87 PHE HA H 87 3.906 4.105 -0.199 1
1 1096 . 28 1 1 A 87 87 PHE C C 87 176.627 177.278 -0.651 1
1 1097 . 28 1 1 A 87 87 PHE CA C 87 59.554 61.170 -1.616 1
1 1098 . 28 1 1 A 87 87 PHE CB C 87 38.017 39.365 -1.348 1
1 1099 . 28 1 1 A 87 87 PHE N N 87 121.649 119.839 1.810 1
1 1100 . 28 1 1 A 88 88 LEU H H 88 7.953 7.724 0.229 1
1 1101 . 28 1 1 A 88 88 LEU HA H 88 3.775 4.149 -0.374 1
1 1111 . 28 1 1 A 88 88 LEU C C 88 177.627 177.303 0.324 1
1 1112 . 28 1 1 A 88 88 LEU CA C 88 55.078 56.914 -1.836 1
1 1113 . 28 1 1 A 88 88 LEU CB C 88 41.226 41.795 -0.569 1
1 1117 . 28 1 1 A 88 88 LEU N N 88 118.897 119.082 -0.185 1
1 1118 . 28 1 1 A 89 89 GLU H H 89 7.475 7.685 -0.210 1
1 1119 . 28 1 1 A 89 89 GLU HA H 89 3.914 4.339 -0.425 1
1 1124 . 28 1 1 A 89 89 GLU C C 89 176.127 177.124 -0.997 1
1 1125 . 28 1 1 A 89 89 GLU CA C 89 56.926 56.668 0.258 1
1 1126 . 28 1 1 A 89 89 GLU CB C 89 28.567 29.632 -1.065 1
1 1128 . 28 1 1 A 89 89 GLU N N 89 119.332 118.231 1.101 1
1 1129 . 28 1 1 A 90 90 ASP H H 90 7.750 8.223 -0.473 1
1 1130 . 28 1 1 A 90 90 ASP HA H 90 4.370 4.667 -0.297 1
1 1133 . 28 1 1 A 90 90 ASP C C 90 175.227 177.694 -2.467 1
1 1134 . 28 1 1 A 90 90 ASP CA C 90 53.593 55.906 -2.313 1
1 1135 . 28 1 1 A 90 90 ASP CB C 90 40.323 41.567 -1.244 1
1 1136 . 28 1 1 A 90 90 ASP N N 90 118.945 120.452 -1.507 1
1 1137 . 28 1 1 A 91 91 ASN H H 91 7.681 7.561 0.120 1
1 1138 . 28 1 1 A 91 91 ASN HA H 91 4.495 4.683 -0.188 1
1 1143 . 28 1 1 A 91 91 ASN C C 91 173.027 175.553 -2.526 1
1 1144 . 28 1 1 A 91 91 ASN CA C 91 52.041 53.377 -1.336 1
1 1145 . 28 1 1 A 91 91 ASN CB C 91 38.072 38.204 -0.132 1
1 1146 . 28 1 1 A 91 91 ASN N N 91 118.171 116.947 1.224 1
1 10 . 29 1 1 A 2 2 GLU H H 2 8.776 8.919 -0.143 1
1 11 . 29 1 1 A 2 2 GLU HA H 2 4.535 4.473 0.062 1
1 16 . 29 1 1 A 2 2 GLU C C 2 175.627 176.627 -1.000 1
1 17 . 29 1 1 A 2 2 GLU CA C 2 55.573 57.207 -1.634 1
1 18 . 29 1 1 A 2 2 GLU CB C 2 30.569 30.832 -0.263 1
1 20 . 29 1 1 A 2 2 GLU N N 2 124.305 123.464 0.841 1
1 21 . 29 1 1 A 3 3 THR H H 3 8.835 7.980 0.855 1
1 22 . 29 1 1 A 3 3 THR HA H 3 4.608 4.848 -0.240 1
1 27 . 29 1 1 A 3 3 THR CA C 3 59.187 58.544 0.643 1
1 28 . 29 1 1 A 3 3 THR CB C 3 67.385 70.830 -3.445 1
1 30 . 29 1 1 A 3 3 THR N N 3 116.176 110.115 6.061 1
1 31 . 29 1 1 A 4 4 PRO HA H 4 4.158 4.440 -0.282 1
1 38 . 29 1 1 A 4 4 PRO C C 4 179.327 177.811 1.516 1
1 39 . 29 1 1 A 4 4 PRO CA C 4 65.040 64.592 0.448 1
1 40 . 29 1 1 A 4 4 PRO CB C 4 30.616 31.816 -1.200 1
1 43 . 29 1 1 A 5 5 LEU H H 5 8.794 7.617 1.177 1
1 44 . 29 1 1 A 5 5 LEU HA H 5 3.944 4.026 -0.082 1
1 54 . 29 1 1 A 5 5 LEU C C 5 177.327 178.169 -0.842 1
1 55 . 29 1 1 A 5 5 LEU CA C 5 56.920 57.106 -0.186 1
1 56 . 29 1 1 A 5 5 LEU CB C 5 41.139 42.505 -1.366 1
1 60 . 29 1 1 A 5 5 LEU N N 5 118.892 118.067 0.825 1
1 61 . 29 1 1 A 6 6 GLU H H 6 7.664 8.120 -0.456 1
1 62 . 29 1 1 A 6 6 GLU HA H 6 3.744 3.826 -0.082 1
1 67 . 29 1 1 A 6 6 GLU C C 6 178.827 179.038 -0.211 1
1 68 . 29 1 1 A 6 6 GLU CA C 6 59.347 60.069 -0.722 1
1 69 . 29 1 1 A 6 6 GLU CB C 6 28.700 29.359 -0.659 1
1 71 . 29 1 1 A 6 6 GLU N N 6 118.741 119.298 -0.557 1
1 72 . 29 1 1 A 7 7 LYS H H 7 8.435 7.942 0.493 1
1 73 . 29 1 1 A 7 7 LYS HA H 7 3.909 4.044 -0.135 1
1 82 . 29 1 1 A 7 7 LYS C C 7 178.527 179.200 -0.673 1
1 83 . 29 1 1 A 7 7 LYS CA C 7 58.539 59.033 -0.494 1
1 84 . 29 1 1 A 7 7 LYS CB C 7 31.217 32.059 -0.842 1
1 88 . 29 1 1 A 7 7 LYS N N 7 119.285 118.610 0.675 1
1 89 . 29 1 1 A 8 8 ALA H H 8 8.008 7.774 0.234 1
1 90 . 29 1 1 A 8 8 ALA HA H 8 4.038 4.012 0.026 1
1 94 . 29 1 1 A 8 8 ALA C C 8 178.327 179.773 -1.446 1
1 95 . 29 1 1 A 8 8 ALA CA C 8 54.356 55.158 -0.802 1
1 96 . 29 1 1 A 8 8 ALA CB C 8 17.509 18.638 -1.129 1
1 97 . 29 1 1 A 8 8 ALA N N 8 123.866 122.426 1.440 1
1 98 . 29 1 1 A 9 9 LEU H H 9 8.163 8.125 0.038 1
1 99 . 29 1 1 A 9 9 LEU HA H 9 3.809 3.956 -0.147 1
1 109 . 29 1 1 A 9 9 LEU C C 9 178.527 179.213 -0.686 1
1 110 . 29 1 1 A 9 9 LEU CA C 9 57.256 57.935 -0.679 1
1 111 . 29 1 1 A 9 9 LEU CB C 9 40.483 42.129 -1.646 1
1 115 . 29 1 1 A 9 9 LEU N N 9 119.134 118.259 0.875 1
1 116 . 29 1 1 A 10 10 THR H H 10 8.186 8.240 -0.054 1
1 117 . 29 1 1 A 10 10 THR HA H 10 3.741 3.942 -0.201 1
1 122 . 29 1 1 A 10 10 THR C C 10 176.727 176.639 0.088 1
1 123 . 29 1 1 A 10 10 THR CA C 10 66.345 66.530 -0.185 1
1 124 . 29 1 1 A 10 10 THR CB C 10 67.558 68.860 -1.302 1
1 126 . 29 1 1 A 10 10 THR N N 10 114.355 115.090 -0.735 1
1 127 . 29 1 1 A 11 11 THR H H 11 8.387 8.342 0.045 1
1 128 . 29 1 1 A 11 11 THR HA H 11 3.963 3.909 0.054 1
1 133 . 29 1 1 A 11 11 THR C C 11 176.827 176.918 -0.091 1
1 134 . 29 1 1 A 11 11 THR CA C 11 65.801 66.758 -0.957 1
1 135 . 29 1 1 A 11 11 THR CB C 11 67.140 68.175 -1.035 1
1 137 . 29 1 1 A 11 11 THR N N 11 120.801 116.657 4.144 1
1 138 . 29 1 1 A 12 12 MET H H 12 8.299 8.558 -0.259 1
1 139 . 29 1 1 A 12 12 MET HA H 12 3.872 4.161 -0.289 1
1 147 . 29 1 1 A 12 12 MET C C 12 177.827 178.907 -1.080 1
1 148 . 29 1 1 A 12 12 MET CA C 12 59.263 58.469 0.794 1
1 149 . 29 1 1 A 12 12 MET CB C 12 31.845 32.462 -0.617 1
1 152 . 29 1 1 A 12 12 MET N N 12 124.102 118.656 5.446 1
1 153 . 29 1 1 A 13 13 VAL H H 13 7.820 8.098 -0.278 1
1 154 . 29 1 1 A 13 13 VAL HA H 13 3.937 3.886 0.051 1
1 162 . 29 1 1 A 13 13 VAL C C 13 177.127 178.242 -1.115 1
1 163 . 29 1 1 A 13 13 VAL CA C 13 65.677 65.616 0.061 1
1 164 . 29 1 1 A 13 13 VAL CB C 13 31.656 31.273 0.383 1
1 167 . 29 1 1 A 13 13 VAL N N 13 119.838 119.942 -0.104 1
1 168 . 29 1 1 A 14 14 THR H H 14 9.107 8.270 0.837 1
1 169 . 29 1 1 A 14 14 THR HA H 14 3.654 3.958 -0.304 1
1 174 . 29 1 1 A 14 14 THR C C 14 177.527 176.507 1.020 1
1 175 . 29 1 1 A 14 14 THR CA C 14 65.273 66.214 -0.941 1
1 176 . 29 1 1 A 14 14 THR CB C 14 67.652 68.852 -1.200 1
1 178 . 29 1 1 A 14 14 THR N N 14 112.247 117.145 -4.898 1
1 179 . 29 1 1 A 15 15 THR H H 15 8.189 8.383 -0.194 1
1 180 . 29 1 1 A 15 15 THR HA H 15 3.864 3.972 -0.108 1
1 186 . 29 1 1 A 15 15 THR C C 15 173.627 176.546 -2.919 1
1 187 . 29 1 1 A 15 15 THR CA C 15 66.930 65.422 1.508 1
1 188 . 29 1 1 A 15 15 THR CB C 15 66.539 68.511 -1.972 1
1 190 . 29 1 1 A 15 15 THR N N 15 117.691 114.211 3.480 1
1 191 . 29 1 1 A 16 16 PHE H H 16 6.850 7.939 -1.089 1
1 192 . 29 1 1 A 16 16 PHE HA H 16 3.417 4.192 -0.775 1
1 199 . 29 1 1 A 16 16 PHE C C 16 175.627 177.315 -1.688 1
1 200 . 29 1 1 A 16 16 PHE CA C 16 61.577 61.747 -0.170 1
1 201 . 29 1 1 A 16 16 PHE CB C 16 38.177 38.720 -0.543 1
1 202 . 29 1 1 A 16 16 PHE N N 16 120.169 122.641 -2.472 1
1 203 . 29 1 1 A 17 17 HIS H H 17 6.924 7.873 -0.949 1
1 204 . 29 1 1 A 17 17 HIS HA H 17 4.755 4.141 0.614 1
1 207 . 29 1 1 A 17 17 HIS C C 17 176.227 177.397 -1.170 1
1 208 . 29 1 1 A 17 17 HIS CA C 17 56.810 59.821 -3.011 1
1 209 . 29 1 1 A 17 17 HIS CB C 17 29.597 29.401 0.196 1
1 210 . 29 1 1 A 17 17 HIS N N 17 115.499 117.635 -2.136 1
1 211 . 29 1 1 A 18 18 LYS H H 18 7.888 7.969 -0.081 1
1 212 . 29 1 1 A 18 18 LYS HA H 18 3.870 3.904 -0.034 1
1 221 . 29 1 1 A 18 18 LYS C C 18 176.927 177.806 -0.879 1
1 222 . 29 1 1 A 18 18 LYS CA C 18 57.897 58.745 -0.848 1
1 223 . 29 1 1 A 18 18 LYS CB C 18 31.582 31.735 -0.153 1
1 227 . 29 1 1 A 18 18 LYS N N 18 121.217 120.564 0.653 1
1 228 . 29 1 1 A 19 19 TYR H H 19 6.928 7.022 -0.094 1
1 229 . 29 1 1 A 19 19 TYR HA H 19 4.163 4.320 -0.157 1
1 234 . 29 1 1 A 19 19 TYR C C 19 175.027 178.487 -3.460 1
1 235 . 29 1 1 A 19 19 TYR CA C 19 59.335 60.378 -1.043 1
1 236 . 29 1 1 A 19 19 TYR CB C 19 39.515 38.942 0.573 1
1 237 . 29 1 1 A 19 19 TYR N N 19 114.488 117.875 -3.387 1
1 238 . 29 1 1 A 20 20 SER H H 20 8.021 8.375 -0.354 1
1 239 . 29 1 1 A 20 20 SER HA H 20 3.105 4.279 -1.174 1
1 242 . 29 1 1 A 20 20 SER C C 20 176.527 175.949 0.578 1
1 243 . 29 1 1 A 20 20 SER CA C 20 60.457 60.889 -0.432 1
1 244 . 29 1 1 A 20 20 SER CB C 20 60.326 62.701 -2.375 1
1 245 . 29 1 1 A 20 20 SER N N 20 112.624 115.833 -3.209 1
1 246 . 29 1 1 A 21 21 GLY H H 21 7.908 7.924 -0.016 1
1 247 . 29 1 1 A 21 21 GLY HA2 H 21 4.197 3.935 0.262 1
1 248 . 29 1 1 A 21 21 GLY HA3 H 21 3.761 3.970 -0.209 1
1 249 . 29 1 1 A 21 21 GLY C C 21 173.027 174.535 -1.508 1
1 250 . 29 1 1 A 21 21 GLY CA C 21 44.357 45.403 -1.046 1
1 251 . 29 1 1 A 21 21 GLY N N 21 112.095 109.392 2.703 1
1 252 . 29 1 1 A 22 22 ARG H H 22 7.470 7.201 0.269 1
1 253 . 29 1 1 A 22 22 ARG HA H 22 3.956 4.362 -0.406 1
1 260 . 29 1 1 A 22 22 ARG C C 22 176.327 175.158 1.169 1
1 261 . 29 1 1 A 22 22 ARG CA C 22 58.189 55.545 2.644 1
1 262 . 29 1 1 A 22 22 ARG CB C 22 29.483 28.336 1.147 1
1 265 . 29 1 1 A 22 22 ARG N N 22 122.481 119.499 2.982 1
1 266 . 29 1 1 A 23 23 GLU H H 23 9.412 7.826 1.586 1
1 267 . 29 1 1 A 23 23 GLU HA H 23 4.626 4.379 0.247 1
1 272 . 29 1 1 A 23 23 GLU C C 23 175.027 175.913 -0.886 1
1 273 . 29 1 1 A 23 23 GLU CA C 23 53.319 56.554 -3.235 1
1 274 . 29 1 1 A 23 23 GLU CB C 23 32.032 31.558 0.474 1
1 276 . 29 1 1 A 23 23 GLU N N 23 116.123 118.863 -2.740 1
1 277 . 29 1 1 A 24 24 GLY H H 24 9.080 8.722 0.358 1
1 278 . 29 1 1 A 24 24 GLY HA2 H 24 3.694 3.658 0.036 1
1 279 . 29 1 1 A 24 24 GLY HA3 H 24 3.878 3.665 0.213 1
1 280 . 29 1 1 A 24 24 GLY C C 24 172.827 174.958 -2.131 1
1 281 . 29 1 1 A 24 24 GLY CA C 24 44.707 47.047 -2.340 1
1 282 . 29 1 1 A 24 24 GLY N N 24 114.015 110.443 3.572 1
1 283 . 29 1 1 A 25 25 SER H H 25 8.465 8.714 -0.249 1
1 284 . 29 1 1 A 25 25 SER HA H 25 4.312 4.461 -0.149 1
1 287 . 29 1 1 A 25 25 SER C C 25 178.027 172.984 5.043 1
1 288 . 29 1 1 A 25 25 SER CA C 25 57.478 60.307 -2.829 1
1 289 . 29 1 1 A 25 25 SER CB C 25 61.941 62.143 -0.202 1
1 290 . 29 1 1 A 25 25 SER N N 25 117.299 115.988 1.311 1
1 291 . 29 1 1 A 26 26 LYS H H 26 9.532 8.690 0.842 1
1 292 . 29 1 1 A 26 26 LYS HA H 26 4.660 4.449 0.211 1
1 301 . 29 1 1 A 26 26 LYS C C 26 176.127 176.287 -0.160 1
1 302 . 29 1 1 A 26 26 LYS CA C 26 56.928 55.415 1.513 1
1 303 . 29 1 1 A 26 26 LYS CB C 26 30.526 31.429 -0.903 1
1 307 . 29 1 1 A 26 26 LYS N N 26 131.209 124.080 7.129 1
1 308 . 29 1 1 A 27 27 LEU H H 27 8.643 8.023 0.620 1
1 309 . 29 1 1 A 27 27 LEU HA H 27 4.583 4.594 -0.011 1
1 319 . 29 1 1 A 27 27 LEU C C 27 174.827 175.948 -1.121 1
1 320 . 29 1 1 A 27 27 LEU CA C 27 53.205 56.399 -3.194 1
1 321 . 29 1 1 A 27 27 LEU CB C 27 41.824 44.483 -2.659 1
1 325 . 29 1 1 A 27 27 LEU N N 27 118.729 124.723 -5.994 1
1 326 . 29 1 1 A 28 28 THR H H 28 7.037 7.634 -0.597 1
1 327 . 29 1 1 A 28 28 THR HA H 28 5.168 4.405 0.763 1
1 332 . 29 1 1 A 28 28 THR C C 28 172.727 174.188 -1.461 1
1 333 . 29 1 1 A 28 28 THR CA C 28 57.915 60.602 -2.687 1
1 334 . 29 1 1 A 28 28 THR CB C 28 71.934 70.472 1.462 1
1 336 . 29 1 1 A 28 28 THR N N 28 104.663 110.010 -5.347 1
1 337 . 29 1 1 A 29 29 LEU H H 29 9.517 8.252 1.265 1
1 338 . 29 1 1 A 29 29 LEU HA H 29 5.196 4.659 0.537 1
1 348 . 29 1 1 A 29 29 LEU C C 29 175.527 176.065 -0.538 1
1 349 . 29 1 1 A 29 29 LEU CA C 29 51.653 54.103 -2.450 1
1 350 . 29 1 1 A 29 29 LEU CB C 29 42.301 41.341 0.960 1
1 354 . 29 1 1 A 29 29 LEU N N 29 125.388 123.847 1.541 1
1 355 . 29 1 1 A 30 30 SER H H 30 10.053 9.282 0.771 1
1 356 . 29 1 1 A 30 30 SER HA H 30 4.475 4.519 -0.044 1
1 359 . 29 1 1 A 30 30 SER C C 30 173.427 175.471 -2.044 1
1 360 . 29 1 1 A 30 30 SER CA C 30 55.011 58.995 -3.984 1
1 361 . 29 1 1 A 30 30 SER CB C 30 64.446 63.452 0.994 1
1 362 . 29 1 1 A 30 30 SER N N 30 121.114 121.206 -0.092 1
1 363 . 29 1 1 A 31 31 ARG H H 31 8.992 8.910 0.082 1
1 364 . 29 1 1 A 31 31 ARG HA H 31 3.923 3.890 0.033 1
1 371 . 29 1 1 A 31 31 ARG C C 31 177.027 177.678 -0.651 1
1 372 . 29 1 1 A 31 31 ARG CA C 31 59.408 59.995 -0.587 1
1 373 . 29 1 1 A 31 31 ARG CB C 31 29.041 30.101 -1.060 1
1 376 . 29 1 1 A 31 31 ARG N N 31 120.513 126.634 -6.121 1
1 377 . 29 1 1 A 32 32 LYS H H 32 7.845 8.368 -0.523 1
1 378 . 29 1 1 A 32 32 LYS HA H 32 3.826 4.028 -0.202 1
1 387 . 29 1 1 A 32 32 LYS C C 32 178.927 179.811 -0.884 1
1 388 . 29 1 1 A 32 32 LYS CA C 32 58.677 59.498 -0.821 1
1 389 . 29 1 1 A 32 32 LYS CB C 32 31.964 31.964 0.000 1
1 393 . 29 1 1 A 32 32 LYS N N 32 117.011 117.591 -0.580 1
1 394 . 29 1 1 A 33 33 GLU H H 33 7.612 8.282 -0.670 1
1 395 . 29 1 1 A 33 33 GLU HA H 33 3.954 4.058 -0.104 1
1 400 . 29 1 1 A 33 33 GLU C C 33 177.227 179.256 -2.029 1
1 401 . 29 1 1 A 33 33 GLU CA C 33 58.289 58.983 -0.694 1
1 402 . 29 1 1 A 33 33 GLU CB C 33 29.757 29.245 0.512 1
1 404 . 29 1 1 A 33 33 GLU N N 33 120.815 120.482 0.333 1
1 405 . 29 1 1 A 34 34 LEU H H 34 8.694 8.017 0.677 1
1 406 . 29 1 1 A 34 34 LEU HA H 34 3.811 4.011 -0.200 1
1 416 . 29 1 1 A 34 34 LEU C C 34 176.927 178.666 -1.739 1
1 417 . 29 1 1 A 34 34 LEU CA C 34 57.025 57.689 -0.664 1
1 418 . 29 1 1 A 34 34 LEU CB C 34 40.638 41.803 -1.165 1
1 422 . 29 1 1 A 34 34 LEU N N 34 119.291 121.145 -1.854 1
1 423 . 29 1 1 A 35 35 LYS H H 35 8.114 7.788 0.326 1
1 424 . 29 1 1 A 35 35 LYS HA H 35 3.569 3.862 -0.293 1
1 433 . 29 1 1 A 35 35 LYS C C 35 177.027 178.946 -1.919 1
1 434 . 29 1 1 A 35 35 LYS CA C 35 59.419 60.348 -0.929 1
1 435 . 29 1 1 A 35 35 LYS CB C 35 31.271 32.044 -0.773 1
1 439 . 29 1 1 A 35 35 LYS N N 35 117.277 119.007 -1.730 1
1 440 . 29 1 1 A 36 36 GLU H H 36 7.560 7.883 -0.323 1
1 441 . 29 1 1 A 36 36 GLU HA H 36 3.845 4.016 -0.171 1
1 446 . 29 1 1 A 36 36 GLU C C 36 175.827 178.262 -2.435 1
1 447 . 29 1 1 A 36 36 GLU CA C 36 58.190 59.149 -0.959 1
1 448 . 29 1 1 A 36 36 GLU CB C 36 28.253 29.567 -1.314 1
1 450 . 29 1 1 A 36 36 GLU N N 36 119.302 120.075 -0.773 1
1 451 . 29 1 1 A 37 37 LEU H H 37 7.682 8.082 -0.400 1
1 452 . 29 1 1 A 37 37 LEU HA H 37 2.280 2.879 -0.599 1
1 462 . 29 1 1 A 37 37 LEU C C 37 178.327 178.256 0.071 1
1 463 . 29 1 1 A 37 37 LEU CA C 37 58.225 57.914 0.311 1
1 464 . 29 1 1 A 37 37 LEU CB C 37 41.090 41.338 -0.248 1
1 468 . 29 1 1 A 37 37 LEU N N 37 121.690 120.252 1.438 1
1 469 . 29 1 1 A 38 38 ILE H H 38 8.157 7.834 0.323 1
1 470 . 29 1 1 A 38 38 ILE HA H 38 3.292 3.484 -0.192 1
1 480 . 29 1 1 A 38 38 ILE C C 38 177.027 178.643 -1.616 1
1 481 . 29 1 1 A 38 38 ILE CA C 38 65.007 65.529 -0.522 1
1 482 . 29 1 1 A 38 38 ILE CB C 38 37.187 37.576 -0.389 1
1 486 . 29 1 1 A 38 38 ILE N N 38 117.626 119.901 -2.275 1
1 487 . 29 1 1 A 39 39 LYS H H 39 8.068 7.545 0.523 1
1 488 . 29 1 1 A 39 39 LYS HA H 39 3.876 4.206 -0.330 1
1 497 . 29 1 1 A 39 39 LYS C C 39 177.927 177.522 0.405 1
1 498 . 29 1 1 A 39 39 LYS CA C 39 58.204 58.498 -0.294 1
1 499 . 29 1 1 A 39 39 LYS CB C 39 31.731 32.115 -0.384 1
1 503 . 29 1 1 A 39 39 LYS N N 39 117.909 119.288 -1.379 1
1 504 . 29 1 1 A 40 40 LYS H H 40 8.094 7.806 0.288 1
1 505 . 29 1 1 A 40 40 LYS HA H 40 4.248 4.485 -0.237 1
1 514 . 29 1 1 A 40 40 LYS C C 40 178.227 177.777 0.450 1
1 515 . 29 1 1 A 40 40 LYS CA C 40 56.291 55.682 0.609 1
1 516 . 29 1 1 A 40 40 LYS CB C 40 32.652 33.467 -0.815 1
1 520 . 29 1 1 A 40 40 LYS N N 40 114.323 117.587 -3.264 1
1 521 . 29 1 1 A 41 41 GLU H H 41 8.381 8.341 0.040 1
1 522 . 29 1 1 A 41 41 GLU HA H 41 4.744 4.264 0.480 1
1 527 . 29 1 1 A 41 41 GLU C C 41 176.227 175.879 0.348 1
1 528 . 29 1 1 A 41 41 GLU CA C 41 55.054 58.813 -3.759 1
1 529 . 29 1 1 A 41 41 GLU CB C 41 29.598 30.734 -1.136 1
1 531 . 29 1 1 A 41 41 GLU N N 41 113.079 119.958 -6.879 1
1 532 . 29 1 1 A 42 42 LEU H H 42 7.544 8.449 -0.905 1
1 533 . 29 1 1 A 42 42 LEU HA H 42 4.754 4.761 -0.007 1
1 542 . 29 1 1 A 42 42 LEU CA C 42 52.564 53.423 -0.859 1
1 543 . 29 1 1 A 42 42 LEU CB C 42 43.848 43.887 -0.039 1
1 546 . 29 1 1 A 42 42 LEU N N 42 118.458 117.852 0.606 1
1 547 . 29 1 1 A 43 43 CYS H H 43 8.342 8.603 -0.261 1
1 548 . 29 1 1 A 43 43 CYS HA H 43 4.486 4.686 -0.200 1
1 551 . 29 1 1 A 43 43 CYS C C 43 174.327 174.731 -0.404 1
1 552 . 29 1 1 A 43 43 CYS CA C 43 57.655 58.167 -0.512 1
1 553 . 29 1 1 A 43 43 CYS CB C 43 25.653 28.273 -2.620 1
1 554 . 29 1 1 A 44 44 LEU H H 44 8.123 7.423 0.700 1
1 555 . 29 1 1 A 44 44 LEU HA H 44 4.339 4.364 -0.025 1
1 565 . 29 1 1 A 44 44 LEU C C 44 176.927 177.898 -0.971 1
1 566 . 29 1 1 A 44 44 LEU CA C 44 53.750 54.242 -0.492 1
1 567 . 29 1 1 A 44 44 LEU CB C 44 40.784 43.206 -2.422 1
1 571 . 29 1 1 A 44 44 LEU N N 44 121.974 119.482 2.492 1
1 572 . 29 1 1 A 45 45 GLY H H 45 8.072 8.713 -0.641 1
1 573 . 29 1 1 A 45 45 GLY HA2 H 45 3.889 3.867 0.022 1
1 574 . 29 1 1 A 45 45 GLY HA3 H 45 3.698 3.891 -0.193 1
1 575 . 29 1 1 A 45 45 GLY C C 45 173.127 174.941 -1.814 1
1 576 . 29 1 1 A 45 45 GLY CA C 45 44.291 46.051 -1.760 1
1 577 . 29 1 1 A 45 45 GLY N N 45 107.819 107.892 -0.073 1
1 578 . 29 1 1 A 46 46 GLU H H 46 8.472 7.808 0.664 1
1 579 . 29 1 1 A 46 46 GLU HA H 46 4.048 4.198 -0.150 1
1 584 . 29 1 1 A 46 46 GLU C C 46 175.727 176.785 -1.058 1
1 585 . 29 1 1 A 46 46 GLU CA C 46 56.461 58.382 -1.921 1
1 586 . 29 1 1 A 46 46 GLU CB C 46 28.208 29.849 -1.641 1
1 588 . 29 1 1 A 46 46 GLU N N 46 120.563 119.876 0.687 1
1 589 . 29 1 1 A 47 47 MET H H 47 8.189 7.279 0.910 1
1 590 . 29 1 1 A 47 47 MET HA H 47 4.413 4.565 -0.152 1
1 598 . 29 1 1 A 47 47 MET C C 47 175.027 175.235 -0.208 1
1 599 . 29 1 1 A 47 47 MET CA C 47 53.905 53.851 0.054 1
1 600 . 29 1 1 A 47 47 MET CB C 47 32.611 30.993 1.618 1
1 603 . 29 1 1 A 47 47 MET N N 47 123.201 117.889 5.312 1
1 604 . 29 1 1 A 48 48 LYS H H 48 8.355 8.006 0.349 1
1 605 . 29 1 1 A 48 48 LYS HA H 48 4.237 4.724 -0.487 1
1 614 . 29 1 1 A 48 48 LYS C C 48 177.027 176.962 0.065 1
1 615 . 29 1 1 A 48 48 LYS CA C 48 55.443 54.535 0.908 1
1 616 . 29 1 1 A 48 48 LYS CB C 48 32.173 35.293 -3.120 1
1 620 . 29 1 1 A 48 48 LYS N N 48 123.046 123.008 0.038 1
1 621 . 29 1 1 A 49 49 GLU H H 49 8.742 9.083 -0.341 1
1 622 . 29 1 1 A 49 49 GLU HA H 49 3.884 3.932 -0.048 1
1 627 . 29 1 1 A 49 49 GLU C C 49 177.727 178.321 -0.594 1
1 628 . 29 1 1 A 49 49 GLU CA C 49 58.534 59.986 -1.452 1
1 629 . 29 1 1 A 49 49 GLU CB C 49 27.870 29.241 -1.371 1
1 631 . 29 1 1 A 49 49 GLU N N 49 122.407 122.581 -0.174 1
1 632 . 29 1 1 A 50 50 SER H H 50 8.324 8.163 0.161 1
1 633 . 29 1 1 A 50 50 SER HA H 50 4.188 4.266 -0.078 1
1 636 . 29 1 1 A 50 50 SER C C 50 175.427 175.292 0.135 1
1 637 . 29 1 1 A 50 50 SER CA C 50 59.402 61.374 -1.972 1
1 638 . 29 1 1 A 50 50 SER CB C 50 61.442 63.139 -1.697 1
1 639 . 29 1 1 A 50 50 SER N N 50 112.475 116.643 -4.168 1
1 640 . 29 1 1 A 51 51 SER H H 51 7.400 7.957 -0.557 1
1 641 . 29 1 1 A 51 51 SER HA H 51 3.926 4.446 -0.520 1
1 644 . 29 1 1 A 51 51 SER C C 51 176.027 174.426 1.601 1
1 645 . 29 1 1 A 51 51 SER CA C 51 59.762 59.551 0.211 1
1 646 . 29 1 1 A 51 51 SER CB C 51 60.955 63.631 -2.676 1
1 647 . 29 1 1 A 51 51 SER N N 51 118.432 112.993 5.439 1
1 648 . 29 1 1 A 52 52 ILE H H 52 7.790 7.724 0.066 1
1 649 . 29 1 1 A 52 52 ILE HA H 52 3.642 4.210 -0.568 1
1 659 . 29 1 1 A 52 52 ILE C C 52 176.427 177.001 -0.574 1
1 660 . 29 1 1 A 52 52 ILE CA C 52 61.984 62.736 -0.752 1
1 661 . 29 1 1 A 52 52 ILE CB C 52 34.990 39.794 -4.804 1
1 665 . 29 1 1 A 52 52 ILE N N 52 123.838 119.375 4.463 1
1 666 . 29 1 1 A 53 53 ASP H H 53 8.092 8.470 -0.378 1
1 667 . 29 1 1 A 53 53 ASP HA H 53 4.225 4.357 -0.132 1
1 670 . 29 1 1 A 53 53 ASP C C 53 178.227 178.491 -0.264 1
1 671 . 29 1 1 A 53 53 ASP CA C 53 56.606 56.765 -0.159 1
1 672 . 29 1 1 A 53 53 ASP CB C 53 39.034 40.310 -1.276 1
1 673 . 29 1 1 A 53 53 ASP N N 53 121.313 120.766 0.547 1
1 674 . 29 1 1 A 54 54 ASP H H 54 7.811 8.138 -0.327 1
1 675 . 29 1 1 A 54 54 ASP HA H 54 4.253 4.374 -0.121 1
1 678 . 29 1 1 A 54 54 ASP C C 54 177.927 178.243 -0.316 1
1 679 . 29 1 1 A 54 54 ASP CA C 54 56.467 57.534 -1.067 1
1 680 . 29 1 1 A 54 54 ASP CB C 54 39.401 41.206 -1.805 1
1 681 . 29 1 1 A 54 54 ASP N N 54 120.122 119.467 0.655 1
1 682 . 29 1 1 A 55 55 LEU H H 55 7.789 7.944 -0.155 1
1 683 . 29 1 1 A 55 55 LEU HA H 55 3.979 4.047 -0.068 1
1 693 . 29 1 1 A 55 55 LEU C C 55 178.027 178.216 -0.189 1
1 694 . 29 1 1 A 55 55 LEU CA C 55 56.713 57.967 -1.254 1
1 695 . 29 1 1 A 55 55 LEU CB C 55 40.799 41.269 -0.470 1
1 699 . 29 1 1 A 55 55 LEU N N 55 122.944 120.595 2.349 1
1 700 . 29 1 1 A 56 56 MET H H 56 8.601 8.660 -0.059 1
1 701 . 29 1 1 A 56 56 MET HA H 56 3.827 4.018 -0.191 1
1 709 . 29 1 1 A 56 56 MET C C 56 177.027 178.299 -1.272 1
1 710 . 29 1 1 A 56 56 MET CA C 56 57.116 58.519 -1.403 1
1 711 . 29 1 1 A 56 56 MET CB C 56 29.825 31.743 -1.918 1
1 714 . 29 1 1 A 56 56 MET N N 56 117.863 119.222 -1.359 1
1 715 . 29 1 1 A 57 57 LYS H H 57 7.693 7.883 -0.190 1
1 716 . 29 1 1 A 57 57 LYS HA H 57 3.954 4.093 -0.139 1
1 725 . 29 1 1 A 57 57 LYS C C 57 178.127 177.802 0.325 1
1 726 . 29 1 1 A 57 57 LYS CA C 57 58.352 58.800 -0.448 1
1 727 . 29 1 1 A 57 57 LYS CB C 57 31.315 31.975 -0.660 1
1 731 . 29 1 1 A 57 57 LYS N N 57 116.455 119.991 -3.536 1
1 732 . 29 1 1 A 58 58 SER H H 58 7.661 8.056 -0.395 1
1 733 . 29 1 1 A 58 58 SER HA H 58 4.115 4.446 -0.331 1
1 736 . 29 1 1 A 58 58 SER C C 58 174.827 175.288 -0.461 1
1 737 . 29 1 1 A 58 58 SER CA C 58 59.986 60.828 -0.842 1
1 738 . 29 1 1 A 58 58 SER CB C 58 62.464 63.559 -1.095 1
1 739 . 29 1 1 A 58 58 SER N N 58 113.020 115.541 -2.521 1
1 740 . 29 1 1 A 59 59 LEU H H 59 7.917 8.123 -0.206 1
1 741 . 29 1 1 A 59 59 LEU HA H 59 4.269 4.222 0.047 1
1 751 . 29 1 1 A 59 59 LEU C C 59 177.627 178.161 -0.534 1
1 752 . 29 1 1 A 59 59 LEU CA C 59 54.402 57.172 -2.770 1
1 753 . 29 1 1 A 59 59 LEU CB C 59 43.731 42.360 1.371 1
1 757 . 29 1 1 A 59 59 LEU N N 59 117.463 119.506 -2.043 1
1 758 . 29 1 1 A 60 60 ASP H H 60 8.025 8.292 -0.267 1
1 759 . 29 1 1 A 60 60 ASP HA H 60 4.566 4.688 -0.122 1
1 762 . 29 1 1 A 60 60 ASP C C 60 176.627 176.848 -0.221 1
1 763 . 29 1 1 A 60 60 ASP CA C 60 52.335 53.122 -0.787 1
1 764 . 29 1 1 A 60 60 ASP CB C 60 38.139 39.495 -1.356 1
1 765 . 29 1 1 A 60 60 ASP N N 60 117.588 117.903 -0.315 1
1 766 . 29 1 1 A 61 61 LYS H H 61 8.100 7.923 0.177 1
1 767 . 29 1 1 A 61 61 LYS HA H 61 4.035 4.054 -0.019 1
1 776 . 29 1 1 A 61 61 LYS C C 61 176.727 178.424 -1.697 1
1 777 . 29 1 1 A 61 61 LYS CA C 61 56.887 59.439 -2.552 1
1 778 . 29 1 1 A 61 61 LYS CB C 61 31.653 32.287 -0.634 1
1 782 . 29 1 1 A 61 61 LYS N N 61 126.943 125.081 1.862 1
1 783 . 29 1 1 A 62 62 ASN H H 62 7.864 7.875 -0.011 1
1 784 . 29 1 1 A 62 62 ASN HA H 62 4.759 4.805 -0.046 1
1 789 . 29 1 1 A 62 62 ASN C C 62 173.727 174.900 -1.173 1
1 790 . 29 1 1 A 62 62 ASN CA C 62 50.660 53.080 -2.420 1
1 791 . 29 1 1 A 62 62 ASN CB C 62 35.920 38.760 -2.840 1
1 792 . 29 1 1 A 62 62 ASN N N 62 113.588 115.756 -2.168 1
1 794 . 29 1 1 A 63 63 SER H H 63 7.613 8.177 -0.564 1
1 795 . 29 1 1 A 63 63 SER HA H 63 3.962 4.089 -0.127 1
1 798 . 29 1 1 A 63 63 SER C C 63 172.927 173.471 -0.544 1
1 799 . 29 1 1 A 63 63 SER CA C 63 58.262 59.112 -0.850 1
1 800 . 29 1 1 A 63 63 SER CB C 63 60.708 61.585 -0.877 1
1 801 . 29 1 1 A 63 63 SER N N 63 111.592 114.215 -2.623 1
1 802 . 29 1 1 A 64 64 ASP H H 64 8.217 8.301 -0.084 1
1 803 . 29 1 1 A 64 64 ASP HA H 64 4.653 4.952 -0.299 1
1 806 . 29 1 1 A 64 64 ASP C C 64 175.927 175.651 0.276 1
1 807 . 29 1 1 A 64 64 ASP CA C 64 51.641 52.121 -0.480 1
1 808 . 29 1 1 A 64 64 ASP CB C 64 39.385 41.035 -1.650 1
1 809 . 29 1 1 A 64 64 ASP N N 64 118.913 118.135 0.778 1
1 810 . 29 1 1 A 65 65 GLN H H 65 10.239 8.321 1.918 1
1 811 . 29 1 1 A 65 65 GLN HA H 65 3.356 4.575 -1.219 1
1 818 . 29 1 1 A 65 65 GLN C C 65 172.627 174.787 -2.160 1
1 819 . 29 1 1 A 65 65 GLN CA C 65 56.325 55.523 0.802 1
1 820 . 29 1 1 A 65 65 GLN CB C 65 24.910 30.555 -5.645 1
1 822 . 29 1 1 A 65 65 GLN N N 65 114.908 117.155 -2.247 1
1 824 . 29 1 1 A 66 66 GLU H H 66 7.710 8.464 -0.754 1
1 825 . 29 1 1 A 66 66 GLU HA H 66 4.691 4.925 -0.234 1
1 830 . 29 1 1 A 66 66 GLU C C 66 174.127 175.206 -1.079 1
1 831 . 29 1 1 A 66 66 GLU CA C 66 52.987 54.782 -1.795 1
1 832 . 29 1 1 A 66 66 GLU CB C 66 32.433 31.712 0.721 1
1 834 . 29 1 1 A 66 66 GLU N N 66 115.721 119.517 -3.796 1
1 835 . 29 1 1 A 67 67 ILE H H 67 9.938 8.484 1.454 1
1 836 . 29 1 1 A 67 67 ILE HA H 67 5.291 4.812 0.479 1
1 846 . 29 1 1 A 67 67 ILE C C 67 175.627 174.814 0.813 1
1 847 . 29 1 1 A 67 67 ILE CA C 67 56.241 60.468 -4.227 1
1 848 . 29 1 1 A 67 67 ILE CB C 67 35.492 38.731 -3.239 1
1 852 . 29 1 1 A 67 67 ILE N N 67 125.901 124.751 1.150 1
1 853 . 29 1 1 A 68 68 ASP H H 68 8.794 8.740 0.054 1
1 854 . 29 1 1 A 68 68 ASP HA H 68 5.002 4.991 0.011 1
1 857 . 29 1 1 A 68 68 ASP C C 68 174.427 177.230 -2.803 1
1 858 . 29 1 1 A 68 68 ASP CA C 68 51.563 53.898 -2.335 1
1 859 . 29 1 1 A 68 68 ASP CB C 68 40.493 42.383 -1.890 1
1 860 . 29 1 1 A 68 68 ASP N N 68 127.844 128.614 -0.770 1
1 861 . 29 1 1 A 69 69 PHE H H 69 9.068 9.078 -0.010 1
1 862 . 29 1 1 A 69 69 PHE HA H 69 3.130 4.034 -0.904 1
1 869 . 29 1 1 A 69 69 PHE C C 69 176.827 177.904 -1.077 1
1 870 . 29 1 1 A 69 69 PHE CA C 69 62.478 61.414 1.064 1
1 871 . 29 1 1 A 69 69 PHE CB C 69 38.096 38.979 -0.883 1
1 872 . 29 1 1 A 69 69 PHE N N 69 118.955 125.779 -6.824 1
1 873 . 29 1 1 A 70 70 LYS H H 70 8.123 8.505 -0.382 1
1 874 . 29 1 1 A 70 70 LYS HA H 70 3.871 4.221 -0.350 1
1 883 . 29 1 1 A 70 70 LYS C C 70 179.527 178.868 0.659 1
1 884 . 29 1 1 A 70 70 LYS CA C 70 59.457 58.234 1.223 1
1 885 . 29 1 1 A 70 70 LYS CB C 70 30.772 31.276 -0.504 1
1 889 . 29 1 1 A 70 70 LYS N N 70 120.287 117.636 2.651 1
1 890 . 29 1 1 A 71 71 GLU H H 71 8.746 8.395 0.351 1
1 891 . 29 1 1 A 71 71 GLU HA H 71 4.099 4.155 -0.056 1
1 896 . 29 1 1 A 71 71 GLU C C 71 179.127 178.781 0.346 1
1 897 . 29 1 1 A 71 71 GLU CA C 71 57.934 58.917 -0.983 1
1 898 . 29 1 1 A 71 71 GLU CB C 71 29.266 30.170 -0.904 1
1 900 . 29 1 1 A 71 71 GLU N N 71 122.207 118.905 3.302 1
1 901 . 29 1 1 A 72 72 TYR H H 72 8.879 8.423 0.456 1
1 902 . 29 1 1 A 72 72 TYR HA H 72 4.010 4.158 -0.148 1
1 909 . 29 1 1 A 72 72 TYR C C 72 175.927 177.982 -2.055 1
1 910 . 29 1 1 A 72 72 TYR CA C 72 58.551 61.714 -3.163 1
1 911 . 29 1 1 A 72 72 TYR CB C 72 38.072 38.386 -0.314 1
1 912 . 29 1 1 A 72 72 TYR N N 72 121.813 122.222 -0.409 1
1 913 . 29 1 1 A 73 73 SER H H 73 8.414 8.535 -0.121 1
1 914 . 29 1 1 A 73 73 SER HA H 73 3.462 4.154 -0.692 1
1 917 . 29 1 1 A 73 73 SER C C 73 175.127 175.987 -0.860 1
1 918 . 29 1 1 A 73 73 SER CA C 73 61.876 61.261 0.615 1
1 919 . 29 1 1 A 73 73 SER CB C 73 61.327 63.121 -1.794 1
1 920 . 29 1 1 A 73 73 SER N N 73 117.840 115.494 2.346 1
1 921 . 29 1 1 A 74 74 VAL H H 74 7.363 7.915 -0.552 1
1 922 . 29 1 1 A 74 74 VAL HA H 74 3.584 3.630 -0.046 1
1 930 . 29 1 1 A 74 74 VAL C C 74 178.027 178.255 -0.228 1
1 931 . 29 1 1 A 74 74 VAL CA C 74 65.397 66.435 -1.038 1
1 932 . 29 1 1 A 74 74 VAL CB C 74 30.300 31.473 -1.173 1
1 935 . 29 1 1 A 74 74 VAL N N 74 123.439 121.759 1.680 1
1 936 . 29 1 1 A 75 75 PHE H H 75 7.282 8.337 -1.055 1
1 937 . 29 1 1 A 75 75 PHE HA H 75 4.562 4.104 0.458 1
1 945 . 29 1 1 A 75 75 PHE C C 75 176.127 177.161 -1.034 1
1 946 . 29 1 1 A 75 75 PHE CA C 75 57.851 61.042 -3.191 1
1 947 . 29 1 1 A 75 75 PHE CB C 75 36.863 38.908 -2.045 1
1 948 . 29 1 1 A 75 75 PHE N N 75 122.766 120.540 2.226 1
1 949 . 29 1 1 A 76 76 LEU H H 76 7.823 8.361 -0.538 1
1 950 . 29 1 1 A 76 76 LEU HA H 76 3.445 3.594 -0.149 1
1 960 . 29 1 1 A 76 76 LEU C C 76 178.927 179.025 -0.098 1
1 961 . 29 1 1 A 76 76 LEU CA C 76 56.891 57.982 -1.091 1
1 962 . 29 1 1 A 76 76 LEU CB C 76 39.917 41.401 -1.484 1
1 966 . 29 1 1 A 76 76 LEU N N 76 115.619 119.098 -3.479 1
1 967 . 29 1 1 A 77 77 THR H H 77 7.858 8.107 -0.249 1
1 968 . 29 1 1 A 77 77 THR HA H 77 3.665 3.764 -0.099 1
1 974 . 29 1 1 A 77 77 THR C C 77 175.427 176.656 -1.229 1
1 975 . 29 1 1 A 77 77 THR CA C 77 66.127 66.967 -0.840 1
1 976 . 29 1 1 A 77 77 THR CB C 77 67.585 68.488 -0.903 1
1 978 . 29 1 1 A 77 77 THR N N 77 113.417 115.749 -2.332 1
1 979 . 29 1 1 A 78 78 MET H H 78 7.970 8.196 -0.226 1
1 980 . 29 1 1 A 78 78 MET HA H 78 3.935 4.077 -0.142 1
1 988 . 29 1 1 A 78 78 MET C C 78 179.127 178.902 0.225 1
1 989 . 29 1 1 A 78 78 MET CA C 78 58.780 58.536 0.244 1
1 990 . 29 1 1 A 78 78 MET CB C 78 31.501 32.516 -1.015 1
1 993 . 29 1 1 A 78 78 MET N N 78 122.745 118.372 4.373 1
1 994 . 29 1 1 A 79 79 LEU H H 79 7.898 8.197 -0.299 1
1 995 . 29 1 1 A 79 79 LEU HA H 79 3.870 3.899 -0.029 1
1 1005 . 29 1 1 A 79 79 LEU C C 79 178.427 178.729 -0.302 1
1 1006 . 29 1 1 A 79 79 LEU CA C 79 56.843 57.733 -0.890 1
1 1007 . 29 1 1 A 79 79 LEU CB C 79 41.099 41.623 -0.524 1
1 1011 . 29 1 1 A 79 79 LEU N N 79 120.989 120.031 0.958 1
1 1012 . 29 1 1 A 80 80 CYS H H 80 8.400 8.656 -0.256 1
1 1013 . 29 1 1 A 80 80 CYS HA H 80 3.830 4.209 -0.379 1
1 1017 . 29 1 1 A 80 80 CYS C C 80 175.927 177.653 -1.726 1
1 1018 . 29 1 1 A 80 80 CYS CA C 80 64.044 62.804 1.240 1
1 1019 . 29 1 1 A 80 80 CYS CB C 80 25.626 26.663 -1.037 1
1 1020 . 29 1 1 A 80 80 CYS N N 80 117.746 116.634 1.112 1
1 1021 . 29 1 1 A 81 81 MET H H 81 8.295 8.582 -0.287 1
1 1022 . 29 1 1 A 81 81 MET HA H 81 4.023 4.199 -0.176 1
1 1030 . 29 1 1 A 81 81 MET C C 81 177.327 178.143 -0.816 1
1 1031 . 29 1 1 A 81 81 MET CA C 81 57.601 59.012 -1.411 1
1 1032 . 29 1 1 A 81 81 MET CB C 81 30.668 32.667 -1.999 1
1 1035 . 29 1 1 A 81 81 MET N N 81 117.598 119.878 -2.280 1
1 1036 . 29 1 1 A 82 82 ALA H H 82 7.624 8.025 -0.401 1
1 1037 . 29 1 1 A 82 82 ALA HA H 82 4.061 4.026 0.035 1
1 1041 . 29 1 1 A 82 82 ALA C C 82 179.627 179.354 0.273 1
1 1042 . 29 1 1 A 82 82 ALA CA C 82 53.856 55.268 -1.412 1
1 1043 . 29 1 1 A 82 82 ALA CB C 82 16.794 18.397 -1.603 1
1 1044 . 29 1 1 A 82 82 ALA N N 82 121.886 121.553 0.333 1
1 1045 . 29 1 1 A 83 83 TYR H H 83 8.476 8.008 0.468 1
1 1046 . 29 1 1 A 83 83 TYR HA H 83 4.147 4.262 -0.115 1
1 1053 . 29 1 1 A 83 83 TYR C C 83 178.127 178.051 0.076 1
1 1054 . 29 1 1 A 83 83 TYR CA C 83 60.066 61.576 -1.510 1
1 1055 . 29 1 1 A 83 83 TYR CB C 83 36.546 37.866 -1.320 1
1 1056 . 29 1 1 A 83 83 TYR N N 83 119.136 116.222 2.914 1
1 1057 . 29 1 1 A 84 84 ASN H H 84 8.386 8.570 -0.184 1
1 1058 . 29 1 1 A 84 84 ASN HA H 84 4.221 4.471 -0.250 1
1 1063 . 29 1 1 A 84 84 ASN C C 84 175.427 177.877 -2.450 1
1 1064 . 29 1 1 A 84 84 ASN CA C 84 56.123 56.751 -0.628 1
1 1065 . 29 1 1 A 84 84 ASN CB C 84 37.387 39.447 -2.060 1
1 1066 . 29 1 1 A 84 84 ASN N N 84 120.692 119.419 1.273 1
1 1068 . 29 1 1 A 85 85 ASP H H 85 7.611 8.552 -0.941 1
1 1069 . 29 1 1 A 85 85 ASP HA H 85 4.234 4.404 -0.170 1
1 1072 . 29 1 1 A 85 85 ASP C C 85 178.227 178.682 -0.455 1
1 1073 . 29 1 1 A 85 85 ASP CA C 85 56.752 57.420 -0.668 1
1 1074 . 29 1 1 A 85 85 ASP CB C 85 38.688 40.705 -2.017 1
1 1075 . 29 1 1 A 85 85 ASP N N 85 118.378 118.940 -0.562 1
1 1076 . 29 1 1 A 86 86 PHE H H 86 7.538 8.372 -0.834 1
1 1077 . 29 1 1 A 86 86 PHE HA H 86 4.291 4.305 -0.014 1
1 1084 . 29 1 1 A 86 86 PHE C C 86 176.627 177.369 -0.742 1
1 1085 . 29 1 1 A 86 86 PHE CA C 86 58.743 61.397 -2.654 1
1 1086 . 29 1 1 A 86 86 PHE CB C 86 37.488 38.958 -1.470 1
1 1087 . 29 1 1 A 86 86 PHE N N 86 118.712 122.024 -3.312 1
1 1088 . 29 1 1 A 87 87 PHE H H 87 8.132 8.444 -0.312 1
1 1089 . 29 1 1 A 87 87 PHE HA H 87 3.906 4.241 -0.335 1
1 1096 . 29 1 1 A 87 87 PHE C C 87 176.627 177.196 -0.569 1
1 1097 . 29 1 1 A 87 87 PHE CA C 87 59.554 61.828 -2.274 1
1 1098 . 29 1 1 A 87 87 PHE CB C 87 38.017 39.416 -1.399 1
1 1099 . 29 1 1 A 87 87 PHE N N 87 121.649 120.431 1.218 1
1 1100 . 29 1 1 A 88 88 LEU H H 88 7.953 7.831 0.122 1
1 1101 . 29 1 1 A 88 88 LEU HA H 88 3.775 4.004 -0.229 1
1 1111 . 29 1 1 A 88 88 LEU C C 88 177.627 177.589 0.038 1
1 1112 . 29 1 1 A 88 88 LEU CA C 88 55.078 56.734 -1.656 1
1 1113 . 29 1 1 A 88 88 LEU CB C 88 41.226 41.768 -0.542 1
1 1117 . 29 1 1 A 88 88 LEU N N 88 118.897 118.855 0.042 1
1 1118 . 29 1 1 A 89 89 GLU H H 89 7.475 7.963 -0.488 1
1 1119 . 29 1 1 A 89 89 GLU HA H 89 3.914 4.405 -0.491 1
1 1124 . 29 1 1 A 89 89 GLU C C 89 176.127 176.610 -0.483 1
1 1125 . 29 1 1 A 89 89 GLU CA C 89 56.926 56.359 0.567 1
1 1126 . 29 1 1 A 89 89 GLU CB C 89 28.567 30.386 -1.819 1
1 1128 . 29 1 1 A 89 89 GLU N N 89 119.332 117.160 2.172 1
1 1129 . 29 1 1 A 90 90 ASP H H 90 7.750 8.089 -0.339 1
1 1130 . 29 1 1 A 90 90 ASP HA H 90 4.370 4.905 -0.535 1
1 1133 . 29 1 1 A 90 90 ASP C C 90 175.227 177.534 -2.307 1
1 1134 . 29 1 1 A 90 90 ASP CA C 90 53.593 55.591 -1.998 1
1 1135 . 29 1 1 A 90 90 ASP CB C 90 40.323 42.459 -2.136 1
1 1136 . 29 1 1 A 90 90 ASP N N 90 118.945 120.452 -1.507 1
1 1137 . 29 1 1 A 91 91 ASN H H 91 7.681 7.617 0.064 1
1 1138 . 29 1 1 A 91 91 ASN HA H 91 4.495 4.808 -0.313 1
1 1143 . 29 1 1 A 91 91 ASN C C 91 173.027 174.828 -1.801 1
1 1144 . 29 1 1 A 91 91 ASN CA C 91 52.041 52.892 -0.851 1
1 1145 . 29 1 1 A 91 91 ASN CB C 91 38.072 38.453 -0.381 1
1 1146 . 29 1 1 A 91 91 ASN N N 91 118.171 116.855 1.316 1
1 10 . 30 1 1 A 2 2 GLU H H 2 8.776 8.954 -0.178 1
1 11 . 30 1 1 A 2 2 GLU HA H 2 4.535 4.478 0.057 1
1 16 . 30 1 1 A 2 2 GLU C C 2 175.627 176.572 -0.945 1
1 17 . 30 1 1 A 2 2 GLU CA C 2 55.573 57.111 -1.538 1
1 18 . 30 1 1 A 2 2 GLU CB C 2 30.569 30.916 -0.347 1
1 20 . 30 1 1 A 2 2 GLU N N 2 124.305 123.229 1.076 1
1 21 . 30 1 1 A 3 3 THR H H 3 8.835 8.115 0.720 1
1 22 . 30 1 1 A 3 3 THR HA H 3 4.608 4.835 -0.227 1
1 27 . 30 1 1 A 3 3 THR CA C 3 59.187 58.799 0.388 1
1 28 . 30 1 1 A 3 3 THR CB C 3 67.385 71.213 -3.828 1
1 30 . 30 1 1 A 3 3 THR N N 3 116.176 109.156 7.020 1
1 31 . 30 1 1 A 4 4 PRO HA H 4 4.158 4.428 -0.270 1
1 38 . 30 1 1 A 4 4 PRO C C 4 179.327 177.480 1.847 1
1 39 . 30 1 1 A 4 4 PRO CA C 4 65.040 64.371 0.669 1
1 40 . 30 1 1 A 4 4 PRO CB C 4 30.616 31.868 -1.252 1
1 43 . 30 1 1 A 5 5 LEU H H 5 8.794 7.302 1.492 1
1 44 . 30 1 1 A 5 5 LEU HA H 5 3.944 4.027 -0.083 1
1 54 . 30 1 1 A 5 5 LEU C C 5 177.327 178.196 -0.869 1
1 55 . 30 1 1 A 5 5 LEU CA C 5 56.920 57.145 -0.225 1
1 56 . 30 1 1 A 5 5 LEU CB C 5 41.139 42.474 -1.335 1
1 60 . 30 1 1 A 5 5 LEU N N 5 118.892 119.577 -0.685 1
1 61 . 30 1 1 A 6 6 GLU H H 6 7.664 8.191 -0.527 1
1 62 . 30 1 1 A 6 6 GLU HA H 6 3.744 3.996 -0.252 1
1 67 . 30 1 1 A 6 6 GLU C C 6 178.827 179.177 -0.350 1
1 68 . 30 1 1 A 6 6 GLU CA C 6 59.347 59.492 -0.145 1
1 69 . 30 1 1 A 6 6 GLU CB C 6 28.700 29.145 -0.445 1
1 71 . 30 1 1 A 6 6 GLU N N 6 118.741 118.961 -0.220 1
1 72 . 30 1 1 A 7 7 LYS H H 7 8.435 8.410 0.025 1
1 73 . 30 1 1 A 7 7 LYS HA H 7 3.909 4.053 -0.144 1
1 82 . 30 1 1 A 7 7 LYS C C 7 178.527 178.735 -0.208 1
1 83 . 30 1 1 A 7 7 LYS CA C 7 58.539 59.182 -0.643 1
1 84 . 30 1 1 A 7 7 LYS CB C 7 31.217 32.422 -1.205 1
1 88 . 30 1 1 A 7 7 LYS N N 7 119.285 119.192 0.093 1
1 89 . 30 1 1 A 8 8 ALA H H 8 8.008 7.885 0.123 1
1 90 . 30 1 1 A 8 8 ALA HA H 8 4.038 4.072 -0.034 1
1 94 . 30 1 1 A 8 8 ALA C C 8 178.327 180.194 -1.867 1
1 95 . 30 1 1 A 8 8 ALA CA C 8 54.356 55.225 -0.869 1
1 96 . 30 1 1 A 8 8 ALA CB C 8 17.509 18.011 -0.502 1
1 97 . 30 1 1 A 8 8 ALA N N 8 123.866 122.339 1.527 1
1 98 . 30 1 1 A 9 9 LEU H H 9 8.163 8.126 0.037 1
1 99 . 30 1 1 A 9 9 LEU HA H 9 3.809 3.980 -0.171 1
1 109 . 30 1 1 A 9 9 LEU C C 9 178.527 179.276 -0.749 1
1 110 . 30 1 1 A 9 9 LEU CA C 9 57.256 57.942 -0.686 1
1 111 . 30 1 1 A 9 9 LEU CB C 9 40.483 41.516 -1.033 1
1 115 . 30 1 1 A 9 9 LEU N N 9 119.134 117.690 1.444 1
1 116 . 30 1 1 A 10 10 THR H H 10 8.186 8.269 -0.083 1
1 117 . 30 1 1 A 10 10 THR HA H 10 3.741 3.931 -0.190 1
1 122 . 30 1 1 A 10 10 THR C C 10 176.727 176.732 -0.005 1
1 123 . 30 1 1 A 10 10 THR CA C 10 66.345 66.556 -0.211 1
1 124 . 30 1 1 A 10 10 THR CB C 10 67.558 68.306 -0.748 1
1 126 . 30 1 1 A 10 10 THR N N 10 114.355 116.010 -1.655 1
1 127 . 30 1 1 A 11 11 THR H H 11 8.387 8.394 -0.007 1
1 128 . 30 1 1 A 11 11 THR HA H 11 3.963 3.965 -0.002 1
1 133 . 30 1 1 A 11 11 THR C C 11 176.827 176.713 0.114 1
1 134 . 30 1 1 A 11 11 THR CA C 11 65.801 67.051 -1.250 1
1 135 . 30 1 1 A 11 11 THR CB C 11 67.140 68.163 -1.023 1
1 137 . 30 1 1 A 11 11 THR N N 11 120.801 117.269 3.532 1
1 138 . 30 1 1 A 12 12 MET H H 12 8.299 7.805 0.494 1
1 139 . 30 1 1 A 12 12 MET HA H 12 3.872 4.292 -0.420 1
1 147 . 30 1 1 A 12 12 MET C C 12 177.827 178.662 -0.835 1
1 148 . 30 1 1 A 12 12 MET CA C 12 59.263 58.631 0.632 1
1 149 . 30 1 1 A 12 12 MET CB C 12 31.845 32.654 -0.809 1
1 152 . 30 1 1 A 12 12 MET N N 12 124.102 118.506 5.596 1
1 153 . 30 1 1 A 13 13 VAL H H 13 7.820 8.307 -0.487 1
1 154 . 30 1 1 A 13 13 VAL HA H 13 3.937 4.006 -0.069 1
1 162 . 30 1 1 A 13 13 VAL C C 13 177.127 178.357 -1.230 1
1 163 . 30 1 1 A 13 13 VAL CA C 13 65.677 65.999 -0.322 1
1 164 . 30 1 1 A 13 13 VAL CB C 13 31.656 31.340 0.316 1
1 167 . 30 1 1 A 13 13 VAL N N 13 119.838 116.096 3.742 1
1 168 . 30 1 1 A 14 14 THR H H 14 9.107 8.172 0.935 1
1 169 . 30 1 1 A 14 14 THR HA H 14 3.654 4.019 -0.365 1
1 174 . 30 1 1 A 14 14 THR C C 14 177.527 176.856 0.671 1
1 175 . 30 1 1 A 14 14 THR CA C 14 65.273 66.112 -0.839 1
1 176 . 30 1 1 A 14 14 THR CB C 14 67.652 68.520 -0.868 1
1 178 . 30 1 1 A 14 14 THR N N 14 112.247 116.408 -4.161 1
1 179 . 30 1 1 A 15 15 THR H H 15 8.189 8.017 0.172 1
1 180 . 30 1 1 A 15 15 THR HA H 15 3.864 4.206 -0.342 1
1 186 . 30 1 1 A 15 15 THR C C 15 173.627 176.849 -3.222 1
1 187 . 30 1 1 A 15 15 THR CA C 15 66.930 65.692 1.238 1
1 188 . 30 1 1 A 15 15 THR CB C 15 66.539 68.591 -2.052 1
1 190 . 30 1 1 A 15 15 THR N N 15 117.691 114.680 3.011 1
1 191 . 30 1 1 A 16 16 PHE H H 16 6.850 8.576 -1.726 1
1 192 . 30 1 1 A 16 16 PHE HA H 16 3.417 4.204 -0.787 1
1 199 . 30 1 1 A 16 16 PHE C C 16 175.627 177.889 -2.262 1
1 200 . 30 1 1 A 16 16 PHE CA C 16 61.577 61.941 -0.364 1
1 201 . 30 1 1 A 16 16 PHE CB C 16 38.177 38.876 -0.699 1
1 202 . 30 1 1 A 16 16 PHE N N 16 120.169 122.823 -2.654 1
1 203 . 30 1 1 A 17 17 HIS H H 17 6.924 8.010 -1.086 1
1 204 . 30 1 1 A 17 17 HIS HA H 17 4.755 4.543 0.212 1
1 207 . 30 1 1 A 17 17 HIS C C 17 176.227 177.717 -1.490 1
1 208 . 30 1 1 A 17 17 HIS CA C 17 56.810 59.616 -2.806 1
1 209 . 30 1 1 A 17 17 HIS CB C 17 29.597 28.906 0.691 1
1 210 . 30 1 1 A 17 17 HIS N N 17 115.499 116.447 -0.948 1
1 211 . 30 1 1 A 18 18 LYS H H 18 7.888 8.036 -0.148 1
1 212 . 30 1 1 A 18 18 LYS HA H 18 3.870 3.888 -0.018 1
1 221 . 30 1 1 A 18 18 LYS C C 18 176.927 177.315 -0.388 1
1 222 . 30 1 1 A 18 18 LYS CA C 18 57.897 58.784 -0.887 1
1 223 . 30 1 1 A 18 18 LYS CB C 18 31.582 31.767 -0.185 1
1 227 . 30 1 1 A 18 18 LYS N N 18 121.217 120.508 0.709 1
1 228 . 30 1 1 A 19 19 TYR H H 19 6.928 7.300 -0.372 1
1 229 . 30 1 1 A 19 19 TYR HA H 19 4.163 4.418 -0.255 1
1 234 . 30 1 1 A 19 19 TYR C C 19 175.027 178.352 -3.325 1
1 235 . 30 1 1 A 19 19 TYR CA C 19 59.335 59.646 -0.311 1
1 236 . 30 1 1 A 19 19 TYR CB C 19 39.515 39.540 -0.025 1
1 237 . 30 1 1 A 19 19 TYR N N 19 114.488 117.559 -3.071 1
1 238 . 30 1 1 A 20 20 SER H H 20 8.021 8.653 -0.632 1
1 239 . 30 1 1 A 20 20 SER HA H 20 3.105 3.997 -0.892 1
1 242 . 30 1 1 A 20 20 SER C C 20 176.527 176.297 0.230 1
1 243 . 30 1 1 A 20 20 SER CA C 20 60.457 60.709 -0.252 1
1 244 . 30 1 1 A 20 20 SER CB C 20 60.326 61.822 -1.496 1
1 245 . 30 1 1 A 20 20 SER N N 20 112.624 116.370 -3.746 1
1 246 . 30 1 1 A 21 21 GLY H H 21 7.908 8.306 -0.398 1
1 247 . 30 1 1 A 21 21 GLY HA2 H 21 4.197 3.847 0.350 1
1 248 . 30 1 1 A 21 21 GLY HA3 H 21 3.761 3.943 -0.182 1
1 249 . 30 1 1 A 21 21 GLY C C 21 173.027 175.656 -2.629 1
1 250 . 30 1 1 A 21 21 GLY CA C 21 44.357 45.635 -1.278 1
1 251 . 30 1 1 A 21 21 GLY N N 21 112.095 109.848 2.247 1
1 252 . 30 1 1 A 22 22 ARG H H 22 7.470 7.296 0.174 1
1 253 . 30 1 1 A 22 22 ARG HA H 22 3.956 4.357 -0.401 1
1 260 . 30 1 1 A 22 22 ARG C C 22 176.327 176.600 -0.273 1
1 261 . 30 1 1 A 22 22 ARG CA C 22 58.189 57.215 0.974 1
1 262 . 30 1 1 A 22 22 ARG CB C 22 29.483 30.760 -1.277 1
1 265 . 30 1 1 A 22 22 ARG N N 22 122.481 119.457 3.024 1
1 266 . 30 1 1 A 23 23 GLU H H 23 9.412 8.328 1.084 1
1 267 . 30 1 1 A 23 23 GLU HA H 23 4.626 4.178 0.448 1
1 272 . 30 1 1 A 23 23 GLU C C 23 175.027 177.348 -2.321 1
1 273 . 30 1 1 A 23 23 GLU CA C 23 53.319 57.831 -4.512 1
1 274 . 30 1 1 A 23 23 GLU CB C 23 32.032 30.393 1.639 1
1 276 . 30 1 1 A 23 23 GLU N N 23 116.123 119.217 -3.094 1
1 277 . 30 1 1 A 24 24 GLY H H 24 9.080 8.700 0.380 1
1 278 . 30 1 1 A 24 24 GLY HA2 H 24 3.694 3.793 -0.099 1
1 279 . 30 1 1 A 24 24 GLY HA3 H 24 3.878 3.895 -0.017 1
1 280 . 30 1 1 A 24 24 GLY C C 24 172.827 174.052 -1.225 1
1 281 . 30 1 1 A 24 24 GLY CA C 24 44.707 46.667 -1.960 1
1 282 . 30 1 1 A 24 24 GLY N N 24 114.015 110.703 3.312 1
1 283 . 30 1 1 A 25 25 SER H H 25 8.465 8.673 -0.208 1
1 284 . 30 1 1 A 25 25 SER HA H 25 4.312 4.539 -0.227 1
1 287 . 30 1 1 A 25 25 SER C C 25 178.027 175.785 2.242 1
1 288 . 30 1 1 A 25 25 SER CA C 25 57.478 58.247 -0.769 1
1 289 . 30 1 1 A 25 25 SER CB C 25 61.941 64.056 -2.115 1
1 290 . 30 1 1 A 25 25 SER N N 25 117.299 120.447 -3.148 1
1 291 . 30 1 1 A 26 26 LYS H H 26 9.532 9.103 0.429 1
1 292 . 30 1 1 A 26 26 LYS HA H 26 4.660 4.377 0.283 1
1 301 . 30 1 1 A 26 26 LYS C C 26 176.127 178.304 -2.177 1
1 302 . 30 1 1 A 26 26 LYS CA C 26 56.928 58.398 -1.470 1
1 303 . 30 1 1 A 26 26 LYS CB C 26 30.526 32.275 -1.749 1
1 307 . 30 1 1 A 26 26 LYS N N 26 131.209 128.256 2.953 1
1 308 . 30 1 1 A 27 27 LEU H H 27 8.643 7.616 1.027 1
1 309 . 30 1 1 A 27 27 LEU HA H 27 4.583 4.433 0.150 1
1 319 . 30 1 1 A 27 27 LEU C C 27 174.827 176.402 -1.575 1
1 320 . 30 1 1 A 27 27 LEU CA C 27 53.205 56.961 -3.756 1
1 321 . 30 1 1 A 27 27 LEU CB C 27 41.824 42.285 -0.461 1
1 325 . 30 1 1 A 27 27 LEU N N 27 118.729 120.855 -2.126 1
1 326 . 30 1 1 A 28 28 THR H H 28 7.037 7.465 -0.428 1
1 327 . 30 1 1 A 28 28 THR HA H 28 5.168 5.390 -0.222 1
1 332 . 30 1 1 A 28 28 THR C C 28 172.727 173.322 -0.595 1
1 333 . 30 1 1 A 28 28 THR CA C 28 57.915 59.394 -1.479 1
1 334 . 30 1 1 A 28 28 THR CB C 28 71.934 71.830 0.104 1
1 336 . 30 1 1 A 28 28 THR N N 28 104.663 109.123 -4.460 1
1 337 . 30 1 1 A 29 29 LEU H H 29 9.517 9.030 0.487 1
1 338 . 30 1 1 A 29 29 LEU HA H 29 5.196 5.443 -0.247 1
1 348 . 30 1 1 A 29 29 LEU C C 29 175.527 175.483 0.044 1
1 349 . 30 1 1 A 29 29 LEU CA C 29 51.653 53.503 -1.850 1
1 350 . 30 1 1 A 29 29 LEU CB C 29 42.301 43.732 -1.431 1
1 354 . 30 1 1 A 29 29 LEU N N 29 125.388 120.807 4.581 1
1 355 . 30 1 1 A 30 30 SER H H 30 10.053 8.907 1.146 1
1 356 . 30 1 1 A 30 30 SER HA H 30 4.475 4.684 -0.209 1
1 359 . 30 1 1 A 30 30 SER C C 30 173.427 175.079 -1.652 1
1 360 . 30 1 1 A 30 30 SER CA C 30 55.011 57.987 -2.976 1
1 361 . 30 1 1 A 30 30 SER CB C 30 64.446 63.980 0.466 1
1 362 . 30 1 1 A 30 30 SER N N 30 121.114 120.312 0.802 1
1 363 . 30 1 1 A 31 31 ARG H H 31 8.992 8.583 0.409 1
1 364 . 30 1 1 A 31 31 ARG HA H 31 3.923 4.097 -0.174 1
1 371 . 30 1 1 A 31 31 ARG C C 31 177.027 177.245 -0.218 1
1 372 . 30 1 1 A 31 31 ARG CA C 31 59.408 57.847 1.561 1
1 373 . 30 1 1 A 31 31 ARG CB C 31 29.041 30.112 -1.071 1
1 376 . 30 1 1 A 31 31 ARG N N 31 120.513 125.637 -5.124 1
1 377 . 30 1 1 A 32 32 LYS H H 32 7.845 7.905 -0.060 1
1 378 . 30 1 1 A 32 32 LYS HA H 32 3.826 4.384 -0.558 1
1 387 . 30 1 1 A 32 32 LYS C C 32 178.927 178.166 0.761 1
1 388 . 30 1 1 A 32 32 LYS CA C 32 58.677 56.941 1.736 1
1 389 . 30 1 1 A 32 32 LYS CB C 32 31.964 34.034 -2.070 1
1 393 . 30 1 1 A 32 32 LYS N N 32 117.011 119.147 -2.136 1
1 394 . 30 1 1 A 33 33 GLU H H 33 7.612 8.102 -0.490 1
1 395 . 30 1 1 A 33 33 GLU HA H 33 3.954 4.036 -0.082 1
1 400 . 30 1 1 A 33 33 GLU C C 33 177.227 179.140 -1.913 1
1 401 . 30 1 1 A 33 33 GLU CA C 33 58.289 59.175 -0.886 1
1 402 . 30 1 1 A 33 33 GLU CB C 33 29.757 29.096 0.661 1
1 404 . 30 1 1 A 33 33 GLU N N 33 120.815 120.041 0.774 1
1 405 . 30 1 1 A 34 34 LEU H H 34 8.694 8.197 0.497 1
1 406 . 30 1 1 A 34 34 LEU HA H 34 3.811 4.042 -0.231 1
1 416 . 30 1 1 A 34 34 LEU C C 34 176.927 177.879 -0.952 1
1 417 . 30 1 1 A 34 34 LEU CA C 34 57.025 57.129 -0.104 1
1 418 . 30 1 1 A 34 34 LEU CB C 34 40.638 41.810 -1.172 1
1 422 . 30 1 1 A 34 34 LEU N N 34 119.291 121.135 -1.844 1
1 423 . 30 1 1 A 35 35 LYS H H 35 8.114 8.172 -0.058 1
1 424 . 30 1 1 A 35 35 LYS HA H 35 3.569 3.845 -0.276 1
1 433 . 30 1 1 A 35 35 LYS C C 35 177.027 178.320 -1.293 1
1 434 . 30 1 1 A 35 35 LYS CA C 35 59.419 59.797 -0.378 1
1 435 . 30 1 1 A 35 35 LYS CB C 35 31.271 32.386 -1.115 1
1 439 . 30 1 1 A 35 35 LYS N N 35 117.277 119.507 -2.230 1
1 440 . 30 1 1 A 36 36 GLU H H 36 7.560 7.619 -0.059 1
1 441 . 30 1 1 A 36 36 GLU HA H 36 3.845 4.267 -0.422 1
1 446 . 30 1 1 A 36 36 GLU C C 36 175.827 178.471 -2.644 1
1 447 . 30 1 1 A 36 36 GLU CA C 36 58.190 57.016 1.174 1
1 448 . 30 1 1 A 36 36 GLU CB C 36 28.253 29.665 -1.412 1
1 450 . 30 1 1 A 36 36 GLU N N 36 119.302 118.477 0.825 1
1 451 . 30 1 1 A 37 37 LEU H H 37 7.682 7.497 0.185 1
1 452 . 30 1 1 A 37 37 LEU HA H 37 2.280 3.154 -0.874 1
1 462 . 30 1 1 A 37 37 LEU C C 37 178.327 178.281 0.046 1
1 463 . 30 1 1 A 37 37 LEU CA C 37 58.225 57.547 0.678 1
1 464 . 30 1 1 A 37 37 LEU CB C 37 41.090 41.449 -0.359 1
1 468 . 30 1 1 A 37 37 LEU N N 37 121.690 120.702 0.988 1
1 469 . 30 1 1 A 38 38 ILE H H 38 8.157 8.123 0.034 1
1 470 . 30 1 1 A 38 38 ILE HA H 38 3.292 3.807 -0.515 1
1 480 . 30 1 1 A 38 38 ILE C C 38 177.027 178.240 -1.213 1
1 481 . 30 1 1 A 38 38 ILE CA C 38 65.007 65.642 -0.635 1
1 482 . 30 1 1 A 38 38 ILE CB C 38 37.187 37.817 -0.630 1
1 486 . 30 1 1 A 38 38 ILE N N 38 117.626 119.769 -2.143 1
1 487 . 30 1 1 A 39 39 LYS H H 39 8.068 7.814 0.254 1
1 488 . 30 1 1 A 39 39 LYS HA H 39 3.876 4.127 -0.251 1
1 497 . 30 1 1 A 39 39 LYS C C 39 177.927 177.677 0.250 1
1 498 . 30 1 1 A 39 39 LYS CA C 39 58.204 58.868 -0.664 1
1 499 . 30 1 1 A 39 39 LYS CB C 39 31.731 32.069 -0.338 1
1 503 . 30 1 1 A 39 39 LYS N N 39 117.909 119.202 -1.293 1
1 504 . 30 1 1 A 40 40 LYS H H 40 8.094 7.978 0.116 1
1 505 . 30 1 1 A 40 40 LYS HA H 40 4.248 4.374 -0.126 1
1 514 . 30 1 1 A 40 40 LYS C C 40 178.227 178.960 -0.733 1
1 515 . 30 1 1 A 40 40 LYS CA C 40 56.291 57.517 -1.226 1
1 516 . 30 1 1 A 40 40 LYS CB C 40 32.652 33.413 -0.761 1
1 520 . 30 1 1 A 40 40 LYS N N 40 114.323 118.105 -3.782 1
1 521 . 30 1 1 A 41 41 GLU H H 41 8.381 8.253 0.128 1
1 522 . 30 1 1 A 41 41 GLU HA H 41 4.744 4.179 0.565 1
1 527 . 30 1 1 A 41 41 GLU C C 41 176.227 178.053 -1.826 1
1 528 . 30 1 1 A 41 41 GLU CA C 41 55.054 59.284 -4.230 1
1 529 . 30 1 1 A 41 41 GLU CB C 41 29.598 29.851 -0.253 1
1 531 . 30 1 1 A 41 41 GLU N N 41 113.079 120.348 -7.269 1
1 532 . 30 1 1 A 42 42 LEU H H 42 7.544 7.870 -0.326 1
1 533 . 30 1 1 A 42 42 LEU HA H 42 4.754 4.557 0.197 1
1 542 . 30 1 1 A 42 42 LEU CA C 42 52.564 54.325 -1.761 1
1 543 . 30 1 1 A 42 42 LEU CB C 42 43.848 40.465 3.383 1
1 546 . 30 1 1 A 42 42 LEU N N 42 118.458 119.567 -1.109 1
1 547 . 30 1 1 A 43 43 CYS H H 43 8.342 8.305 0.037 1
1 548 . 30 1 1 A 43 43 CYS HA H 43 4.486 4.507 -0.021 1
1 551 . 30 1 1 A 43 43 CYS C C 43 174.327 175.180 -0.853 1
1 552 . 30 1 1 A 43 43 CYS CA C 43 57.655 59.789 -2.134 1
1 553 . 30 1 1 A 43 43 CYS CB C 43 25.653 26.844 -1.191 1
1 554 . 30 1 1 A 44 44 LEU H H 44 8.123 7.695 0.428 1
1 555 . 30 1 1 A 44 44 LEU HA H 44 4.339 4.691 -0.352 1
1 565 . 30 1 1 A 44 44 LEU C C 44 176.927 176.301 0.626 1
1 566 . 30 1 1 A 44 44 LEU CA C 44 53.750 54.409 -0.659 1
1 567 . 30 1 1 A 44 44 LEU CB C 44 40.784 43.446 -2.662 1
1 571 . 30 1 1 A 44 44 LEU N N 44 121.974 115.677 6.297 1
1 572 . 30 1 1 A 45 45 GLY H H 45 8.072 7.802 0.270 1
1 573 . 30 1 1 A 45 45 GLY HA2 H 45 3.889 4.000 -0.111 1
1 574 . 30 1 1 A 45 45 GLY HA3 H 45 3.698 4.128 -0.430 1
1 575 . 30 1 1 A 45 45 GLY C C 45 173.127 174.969 -1.842 1
1 576 . 30 1 1 A 45 45 GLY CA C 45 44.291 44.159 0.132 1
1 577 . 30 1 1 A 45 45 GLY N N 45 107.819 109.601 -1.782 1
1 578 . 30 1 1 A 46 46 GLU H H 46 8.472 8.513 -0.041 1
1 579 . 30 1 1 A 46 46 GLU HA H 46 4.048 4.451 -0.403 1
1 584 . 30 1 1 A 46 46 GLU C C 46 175.727 176.726 -0.999 1
1 585 . 30 1 1 A 46 46 GLU CA C 46 56.461 56.457 0.004 1
1 586 . 30 1 1 A 46 46 GLU CB C 46 28.208 29.648 -1.440 1
1 588 . 30 1 1 A 46 46 GLU N N 46 120.563 118.438 2.125 1
1 589 . 30 1 1 A 47 47 MET H H 47 8.189 8.333 -0.144 1
1 590 . 30 1 1 A 47 47 MET HA H 47 4.413 4.555 -0.142 1
1 598 . 30 1 1 A 47 47 MET C C 47 175.027 175.248 -0.221 1
1 599 . 30 1 1 A 47 47 MET CA C 47 53.905 54.448 -0.543 1
1 600 . 30 1 1 A 47 47 MET CB C 47 32.611 30.377 2.234 1
1 603 . 30 1 1 A 47 47 MET N N 47 123.201 120.345 2.856 1
1 604 . 30 1 1 A 48 48 LYS H H 48 8.355 8.176 0.179 1
1 605 . 30 1 1 A 48 48 LYS HA H 48 4.237 4.390 -0.153 1
1 614 . 30 1 1 A 48 48 LYS C C 48 177.027 177.454 -0.427 1
1 615 . 30 1 1 A 48 48 LYS CA C 48 55.443 55.512 -0.069 1
1 616 . 30 1 1 A 48 48 LYS CB C 48 32.173 33.732 -1.559 1
1 620 . 30 1 1 A 48 48 LYS N N 48 123.046 125.327 -2.281 1
1 621 . 30 1 1 A 49 49 GLU H H 49 8.742 9.158 -0.416 1
1 622 . 30 1 1 A 49 49 GLU HA H 49 3.884 3.866 0.018 1
1 627 . 30 1 1 A 49 49 GLU C C 49 177.727 178.315 -0.588 1
1 628 . 30 1 1 A 49 49 GLU CA C 49 58.534 60.414 -1.880 1
1 629 . 30 1 1 A 49 49 GLU CB C 49 27.870 29.725 -1.855 1
1 631 . 30 1 1 A 49 49 GLU N N 49 122.407 126.689 -4.282 1
1 632 . 30 1 1 A 50 50 SER H H 50 8.324 8.204 0.120 1
1 633 . 30 1 1 A 50 50 SER HA H 50 4.188 4.236 -0.048 1
1 636 . 30 1 1 A 50 50 SER C C 50 175.427 176.704 -1.277 1
1 637 . 30 1 1 A 50 50 SER CA C 50 59.402 61.612 -2.210 1
1 638 . 30 1 1 A 50 50 SER CB C 50 61.442 62.874 -1.432 1
1 639 . 30 1 1 A 50 50 SER N N 50 112.475 117.600 -5.125 1
1 640 . 30 1 1 A 51 51 SER H H 51 7.400 7.842 -0.442 1
1 641 . 30 1 1 A 51 51 SER HA H 51 3.926 4.294 -0.368 1
1 644 . 30 1 1 A 51 51 SER C C 51 176.027 175.300 0.727 1
1 645 . 30 1 1 A 51 51 SER CA C 51 59.762 61.380 -1.618 1
1 646 . 30 1 1 A 51 51 SER CB C 51 60.955 63.146 -2.191 1
1 647 . 30 1 1 A 51 51 SER N N 51 118.432 118.289 0.143 1
1 648 . 30 1 1 A 52 52 ILE H H 52 7.790 7.482 0.308 1
1 649 . 30 1 1 A 52 52 ILE HA H 52 3.642 3.966 -0.324 1
1 659 . 30 1 1 A 52 52 ILE C C 52 176.427 177.284 -0.857 1
1 660 . 30 1 1 A 52 52 ILE CA C 52 61.984 63.548 -1.564 1
1 661 . 30 1 1 A 52 52 ILE CB C 52 34.990 37.965 -2.975 1
1 665 . 30 1 1 A 52 52 ILE N N 52 123.838 120.171 3.667 1
1 666 . 30 1 1 A 53 53 ASP H H 53 8.092 8.176 -0.084 1
1 667 . 30 1 1 A 53 53 ASP HA H 53 4.225 4.257 -0.032 1
1 670 . 30 1 1 A 53 53 ASP C C 53 178.227 178.153 0.074 1
1 671 . 30 1 1 A 53 53 ASP CA C 53 56.606 57.614 -1.008 1
1 672 . 30 1 1 A 53 53 ASP CB C 53 39.034 40.793 -1.759 1
1 673 . 30 1 1 A 53 53 ASP N N 53 121.313 122.358 -1.045 1
1 674 . 30 1 1 A 54 54 ASP H H 54 7.811 7.862 -0.051 1
1 675 . 30 1 1 A 54 54 ASP HA H 54 4.253 4.361 -0.108 1
1 678 . 30 1 1 A 54 54 ASP C C 54 177.927 178.706 -0.779 1
1 679 . 30 1 1 A 54 54 ASP CA C 54 56.467 56.974 -0.507 1
1 680 . 30 1 1 A 54 54 ASP CB C 54 39.401 41.290 -1.889 1
1 681 . 30 1 1 A 54 54 ASP N N 54 120.122 119.935 0.187 1
1 682 . 30 1 1 A 55 55 LEU H H 55 7.789 8.085 -0.296 1
1 683 . 30 1 1 A 55 55 LEU HA H 55 3.979 4.023 -0.044 1
1 693 . 30 1 1 A 55 55 LEU C C 55 178.027 179.076 -1.049 1
1 694 . 30 1 1 A 55 55 LEU CA C 55 56.713 58.224 -1.511 1
1 695 . 30 1 1 A 55 55 LEU CB C 55 40.799 42.019 -1.220 1
1 699 . 30 1 1 A 55 55 LEU N N 55 122.944 120.335 2.609 1
1 700 . 30 1 1 A 56 56 MET H H 56 8.601 8.737 -0.136 1
1 701 . 30 1 1 A 56 56 MET HA H 56 3.827 3.907 -0.080 1
1 709 . 30 1 1 A 56 56 MET C C 56 177.027 178.299 -1.272 1
1 710 . 30 1 1 A 56 56 MET CA C 56 57.116 59.258 -2.142 1
1 711 . 30 1 1 A 56 56 MET CB C 56 29.825 32.605 -2.780 1
1 714 . 30 1 1 A 56 56 MET N N 56 117.863 116.883 0.980 1
1 715 . 30 1 1 A 57 57 LYS H H 57 7.693 7.948 -0.255 1
1 716 . 30 1 1 A 57 57 LYS HA H 57 3.954 4.121 -0.167 1
1 725 . 30 1 1 A 57 57 LYS C C 57 178.127 178.039 0.088 1
1 726 . 30 1 1 A 57 57 LYS CA C 57 58.352 58.826 -0.474 1
1 727 . 30 1 1 A 57 57 LYS CB C 57 31.315 32.063 -0.748 1
1 731 . 30 1 1 A 57 57 LYS N N 57 116.455 120.292 -3.837 1
1 732 . 30 1 1 A 58 58 SER H H 58 7.661 7.802 -0.141 1
1 733 . 30 1 1 A 58 58 SER HA H 58 4.115 4.368 -0.253 1
1 736 . 30 1 1 A 58 58 SER C C 58 174.827 176.745 -1.918 1
1 737 . 30 1 1 A 58 58 SER CA C 58 59.986 60.359 -0.373 1
1 738 . 30 1 1 A 58 58 SER CB C 58 62.464 63.421 -0.957 1
1 739 . 30 1 1 A 58 58 SER N N 58 113.020 114.465 -1.445 1
1 740 . 30 1 1 A 59 59 LEU H H 59 7.917 7.830 0.087 1
1 741 . 30 1 1 A 59 59 LEU HA H 59 4.269 4.166 0.103 1
1 751 . 30 1 1 A 59 59 LEU C C 59 177.627 177.301 0.326 1
1 752 . 30 1 1 A 59 59 LEU CA C 59 54.402 57.851 -3.449 1
1 753 . 30 1 1 A 59 59 LEU CB C 59 43.731 41.873 1.858 1
1 757 . 30 1 1 A 59 59 LEU N N 59 117.463 119.983 -2.520 1
1 758 . 30 1 1 A 60 60 ASP H H 60 8.025 7.887 0.138 1
1 759 . 30 1 1 A 60 60 ASP HA H 60 4.566 4.760 -0.194 1
1 762 . 30 1 1 A 60 60 ASP C C 60 176.627 176.283 0.344 1
1 763 . 30 1 1 A 60 60 ASP CA C 60 52.335 54.206 -1.871 1
1 764 . 30 1 1 A 60 60 ASP CB C 60 38.139 42.213 -4.074 1
1 765 . 30 1 1 A 60 60 ASP N N 60 117.588 118.531 -0.943 1
1 766 . 30 1 1 A 61 61 LYS H H 61 8.100 9.181 -1.081 1
1 767 . 30 1 1 A 61 61 LYS HA H 61 4.035 4.593 -0.558 1
1 776 . 30 1 1 A 61 61 LYS C C 61 176.727 176.934 -0.207 1
1 777 . 30 1 1 A 61 61 LYS CA C 61 56.887 55.738 1.149 1
1 778 . 30 1 1 A 61 61 LYS CB C 61 31.653 33.361 -1.708 1
1 782 . 30 1 1 A 61 61 LYS N N 61 126.943 123.385 3.558 1
1 783 . 30 1 1 A 62 62 ASN H H 62 7.864 8.017 -0.153 1
1 784 . 30 1 1 A 62 62 ASN HA H 62 4.759 4.881 -0.122 1
1 789 . 30 1 1 A 62 62 ASN C C 62 173.727 175.844 -2.117 1
1 790 . 30 1 1 A 62 62 ASN CA C 62 50.660 53.217 -2.557 1
1 791 . 30 1 1 A 62 62 ASN CB C 62 35.920 40.779 -4.859 1
1 792 . 30 1 1 A 62 62 ASN N N 62 113.588 115.353 -1.765 1
1 794 . 30 1 1 A 63 63 SER H H 63 7.613 8.618 -1.005 1
1 795 . 30 1 1 A 63 63 SER HA H 63 3.962 4.158 -0.196 1
1 798 . 30 1 1 A 63 63 SER C C 63 172.927 174.794 -1.867 1
1 799 . 30 1 1 A 63 63 SER CA C 63 58.262 59.471 -1.209 1
1 800 . 30 1 1 A 63 63 SER CB C 63 60.708 62.549 -1.841 1
1 801 . 30 1 1 A 63 63 SER N N 63 111.592 113.518 -1.926 1
1 802 . 30 1 1 A 64 64 ASP H H 64 8.217 8.241 -0.024 1
1 803 . 30 1 1 A 64 64 ASP HA H 64 4.653 4.546 0.107 1
1 806 . 30 1 1 A 64 64 ASP C C 64 175.927 177.016 -1.089 1
1 807 . 30 1 1 A 64 64 ASP CA C 64 51.641 53.368 -1.727 1
1 808 . 30 1 1 A 64 64 ASP CB C 64 39.385 40.902 -1.517 1
1 809 . 30 1 1 A 64 64 ASP N N 64 118.913 120.535 -1.622 1
1 810 . 30 1 1 A 65 65 GLN H H 65 10.239 8.043 2.196 1
1 811 . 30 1 1 A 65 65 GLN HA H 65 3.356 3.871 -0.515 1
1 818 . 30 1 1 A 65 65 GLN C C 65 172.627 174.551 -1.924 1
1 819 . 30 1 1 A 65 65 GLN CA C 65 56.325 57.438 -1.113 1
1 820 . 30 1 1 A 65 65 GLN CB C 65 24.910 28.407 -3.497 1
1 822 . 30 1 1 A 65 65 GLN N N 65 114.908 117.926 -3.018 1
1 824 . 30 1 1 A 66 66 GLU H H 66 7.710 7.819 -0.109 1
1 825 . 30 1 1 A 66 66 GLU HA H 66 4.691 4.729 -0.038 1
1 830 . 30 1 1 A 66 66 GLU C C 66 174.127 175.886 -1.759 1
1 831 . 30 1 1 A 66 66 GLU CA C 66 52.987 55.191 -2.204 1
1 832 . 30 1 1 A 66 66 GLU CB C 66 32.433 31.230 1.203 1
1 834 . 30 1 1 A 66 66 GLU N N 66 115.721 119.689 -3.968 1
1 835 . 30 1 1 A 67 67 ILE H H 67 9.938 8.783 1.155 1
1 836 . 30 1 1 A 67 67 ILE HA H 67 5.291 4.944 0.347 1
1 846 . 30 1 1 A 67 67 ILE C C 67 175.627 175.099 0.528 1
1 847 . 30 1 1 A 67 67 ILE CA C 67 56.241 60.441 -4.200 1
1 848 . 30 1 1 A 67 67 ILE CB C 67 35.492 38.851 -3.359 1
1 852 . 30 1 1 A 67 67 ILE N N 67 125.901 123.568 2.333 1
1 853 . 30 1 1 A 68 68 ASP H H 68 8.794 8.621 0.173 1
1 854 . 30 1 1 A 68 68 ASP HA H 68 5.002 4.936 0.066 1
1 857 . 30 1 1 A 68 68 ASP C C 68 174.427 177.061 -2.634 1
1 858 . 30 1 1 A 68 68 ASP CA C 68 51.563 54.261 -2.698 1
1 859 . 30 1 1 A 68 68 ASP CB C 68 40.493 42.399 -1.906 1
1 860 . 30 1 1 A 68 68 ASP N N 68 127.844 128.302 -0.458 1
1 861 . 30 1 1 A 69 69 PHE H H 69 9.068 9.310 -0.242 1
1 862 . 30 1 1 A 69 69 PHE HA H 69 3.130 4.085 -0.955 1
1 869 . 30 1 1 A 69 69 PHE C C 69 176.827 177.332 -0.505 1
1 870 . 30 1 1 A 69 69 PHE CA C 69 62.478 61.576 0.902 1
1 871 . 30 1 1 A 69 69 PHE CB C 69 38.096 39.300 -1.204 1
1 872 . 30 1 1 A 69 69 PHE N N 69 118.955 126.551 -7.596 1
1 873 . 30 1 1 A 70 70 LYS H H 70 8.123 8.197 -0.074 1
1 874 . 30 1 1 A 70 70 LYS HA H 70 3.871 4.134 -0.263 1
1 883 . 30 1 1 A 70 70 LYS C C 70 179.527 178.989 0.538 1
1 884 . 30 1 1 A 70 70 LYS CA C 70 59.457 58.438 1.019 1
1 885 . 30 1 1 A 70 70 LYS CB C 70 30.772 32.486 -1.714 1
1 889 . 30 1 1 A 70 70 LYS N N 70 120.287 118.499 1.788 1
1 890 . 30 1 1 A 71 71 GLU H H 71 8.746 7.791 0.955 1
1 891 . 30 1 1 A 71 71 GLU HA H 71 4.099 4.042 0.057 1
1 896 . 30 1 1 A 71 71 GLU C C 71 179.127 178.841 0.286 1
1 897 . 30 1 1 A 71 71 GLU CA C 71 57.934 59.387 -1.453 1
1 898 . 30 1 1 A 71 71 GLU CB C 71 29.266 29.679 -0.413 1
1 900 . 30 1 1 A 71 71 GLU N N 71 122.207 120.334 1.873 1
1 901 . 30 1 1 A 72 72 TYR H H 72 8.879 8.524 0.355 1
1 902 . 30 1 1 A 72 72 TYR HA H 72 4.010 4.310 -0.300 1
1 909 . 30 1 1 A 72 72 TYR C C 72 175.927 177.726 -1.799 1
1 910 . 30 1 1 A 72 72 TYR CA C 72 58.551 61.528 -2.977 1
1 911 . 30 1 1 A 72 72 TYR CB C 72 38.072 38.504 -0.432 1
1 912 . 30 1 1 A 72 72 TYR N N 72 121.813 122.497 -0.684 1
1 913 . 30 1 1 A 73 73 SER H H 73 8.414 7.723 0.691 1
1 914 . 30 1 1 A 73 73 SER HA H 73 3.462 3.923 -0.461 1
1 917 . 30 1 1 A 73 73 SER C C 73 175.127 175.984 -0.857 1
1 918 . 30 1 1 A 73 73 SER CA C 73 61.876 61.796 0.080 1
1 919 . 30 1 1 A 73 73 SER CB C 73 61.327 62.804 -1.477 1
1 920 . 30 1 1 A 73 73 SER N N 73 117.840 115.947 1.893 1
1 921 . 30 1 1 A 74 74 VAL H H 74 7.363 7.958 -0.595 1
1 922 . 30 1 1 A 74 74 VAL HA H 74 3.584 3.681 -0.097 1
1 930 . 30 1 1 A 74 74 VAL C C 74 178.027 178.018 0.009 1
1 931 . 30 1 1 A 74 74 VAL CA C 74 65.397 65.997 -0.600 1
1 932 . 30 1 1 A 74 74 VAL CB C 74 30.300 31.691 -1.391 1
1 935 . 30 1 1 A 74 74 VAL N N 74 123.439 121.821 1.618 1
1 936 . 30 1 1 A 75 75 PHE H H 75 7.282 7.952 -0.670 1
1 937 . 30 1 1 A 75 75 PHE HA H 75 4.562 4.075 0.487 1
1 945 . 30 1 1 A 75 75 PHE C C 75 176.127 176.825 -0.698 1
1 946 . 30 1 1 A 75 75 PHE CA C 75 57.851 61.042 -3.191 1
1 947 . 30 1 1 A 75 75 PHE CB C 75 36.863 38.970 -2.107 1
1 948 . 30 1 1 A 75 75 PHE N N 75 122.766 120.930 1.836 1
1 949 . 30 1 1 A 76 76 LEU H H 76 7.823 8.234 -0.411 1
1 950 . 30 1 1 A 76 76 LEU HA H 76 3.445 3.447 -0.002 1
1 960 . 30 1 1 A 76 76 LEU C C 76 178.927 179.256 -0.329 1
1 961 . 30 1 1 A 76 76 LEU CA C 76 56.891 57.455 -0.564 1
1 962 . 30 1 1 A 76 76 LEU CB C 76 39.917 40.703 -0.786 1
1 966 . 30 1 1 A 76 76 LEU N N 76 115.619 118.961 -3.342 1
1 967 . 30 1 1 A 77 77 THR H H 77 7.858 7.871 -0.013 1
1 968 . 30 1 1 A 77 77 THR HA H 77 3.665 3.803 -0.138 1
1 974 . 30 1 1 A 77 77 THR C C 77 175.427 176.824 -1.397 1
1 975 . 30 1 1 A 77 77 THR CA C 77 66.127 66.908 -0.781 1
1 976 . 30 1 1 A 77 77 THR CB C 77 67.585 68.099 -0.514 1
1 978 . 30 1 1 A 77 77 THR N N 77 113.417 115.299 -1.882 1
1 979 . 30 1 1 A 78 78 MET H H 78 7.970 7.986 -0.016 1
1 980 . 30 1 1 A 78 78 MET HA H 78 3.935 3.967 -0.032 1
1 988 . 30 1 1 A 78 78 MET C C 78 179.127 178.843 0.284 1
1 989 . 30 1 1 A 78 78 MET CA C 78 58.780 58.819 -0.039 1
1 990 . 30 1 1 A 78 78 MET CB C 78 31.501 32.651 -1.150 1
1 993 . 30 1 1 A 78 78 MET N N 78 122.745 118.752 3.993 1
1 994 . 30 1 1 A 79 79 LEU H H 79 7.898 7.989 -0.091 1
1 995 . 30 1 1 A 79 79 LEU HA H 79 3.870 3.994 -0.124 1
1 1005 . 30 1 1 A 79 79 LEU C C 79 178.427 179.079 -0.652 1
1 1006 . 30 1 1 A 79 79 LEU CA C 79 56.843 57.827 -0.984 1
1 1007 . 30 1 1 A 79 79 LEU CB C 79 41.099 41.322 -0.223 1
1 1011 . 30 1 1 A 79 79 LEU N N 79 120.989 119.700 1.289 1
1 1012 . 30 1 1 A 80 80 CYS H H 80 8.400 8.410 -0.010 1
1 1013 . 30 1 1 A 80 80 CYS HA H 80 3.830 4.224 -0.394 1
1 1017 . 30 1 1 A 80 80 CYS C C 80 175.927 177.405 -1.478 1
1 1018 . 30 1 1 A 80 80 CYS CA C 80 64.044 62.236 1.808 1
1 1019 . 30 1 1 A 80 80 CYS CB C 80 25.626 27.282 -1.656 1
1 1020 . 30 1 1 A 80 80 CYS N N 80 117.746 118.703 -0.957 1
1 1021 . 30 1 1 A 81 81 MET H H 81 8.295 8.190 0.105 1
1 1022 . 30 1 1 A 81 81 MET HA H 81 4.023 4.230 -0.207 1
1 1030 . 30 1 1 A 81 81 MET C C 81 177.327 178.072 -0.745 1
1 1031 . 30 1 1 A 81 81 MET CA C 81 57.601 59.042 -1.441 1
1 1032 . 30 1 1 A 81 81 MET CB C 81 30.668 32.995 -2.327 1
1 1035 . 30 1 1 A 81 81 MET N N 81 117.598 119.009 -1.411 1
1 1036 . 30 1 1 A 82 82 ALA H H 82 7.624 8.148 -0.524 1
1 1037 . 30 1 1 A 82 82 ALA HA H 82 4.061 4.038 0.023 1
1 1041 . 30 1 1 A 82 82 ALA C C 82 179.627 179.270 0.357 1
1 1042 . 30 1 1 A 82 82 ALA CA C 82 53.856 55.682 -1.826 1
1 1043 . 30 1 1 A 82 82 ALA CB C 82 16.794 18.493 -1.699 1
1 1044 . 30 1 1 A 82 82 ALA N N 82 121.886 121.353 0.533 1
1 1045 . 30 1 1 A 83 83 TYR H H 83 8.476 7.903 0.573 1
1 1046 . 30 1 1 A 83 83 TYR HA H 83 4.147 4.334 -0.187 1
1 1053 . 30 1 1 A 83 83 TYR C C 83 178.127 178.288 -0.161 1
1 1054 . 30 1 1 A 83 83 TYR CA C 83 60.066 61.394 -1.328 1
1 1055 . 30 1 1 A 83 83 TYR CB C 83 36.546 37.443 -0.897 1
1 1056 . 30 1 1 A 83 83 TYR N N 83 119.136 116.565 2.571 1
1 1057 . 30 1 1 A 84 84 ASN H H 84 8.386 8.462 -0.076 1
1 1058 . 30 1 1 A 84 84 ASN HA H 84 4.221 4.484 -0.263 1
1 1063 . 30 1 1 A 84 84 ASN C C 84 175.427 177.457 -2.030 1
1 1064 . 30 1 1 A 84 84 ASN CA C 84 56.123 56.761 -0.638 1
1 1065 . 30 1 1 A 84 84 ASN CB C 84 37.387 38.983 -1.596 1
1 1066 . 30 1 1 A 84 84 ASN N N 84 120.692 119.880 0.812 1
1 1068 . 30 1 1 A 85 85 ASP H H 85 7.611 7.756 -0.145 1
1 1069 . 30 1 1 A 85 85 ASP HA H 85 4.234 4.356 -0.122 1
1 1072 . 30 1 1 A 85 85 ASP C C 85 178.227 178.463 -0.236 1
1 1073 . 30 1 1 A 85 85 ASP CA C 85 56.752 57.370 -0.618 1
1 1074 . 30 1 1 A 85 85 ASP CB C 85 38.688 41.635 -2.947 1
1 1075 . 30 1 1 A 85 85 ASP N N 85 118.378 119.326 -0.948 1
1 1076 . 30 1 1 A 86 86 PHE H H 86 7.538 8.057 -0.519 1
1 1077 . 30 1 1 A 86 86 PHE HA H 86 4.291 4.158 0.133 1
1 1084 . 30 1 1 A 86 86 PHE C C 86 176.627 177.605 -0.978 1
1 1085 . 30 1 1 A 86 86 PHE CA C 86 58.743 61.484 -2.741 1
1 1086 . 30 1 1 A 86 86 PHE CB C 86 37.488 39.136 -1.648 1
1 1087 . 30 1 1 A 86 86 PHE N N 86 118.712 120.484 -1.772 1
1 1088 . 30 1 1 A 87 87 PHE H H 87 8.132 8.177 -0.045 1
1 1089 . 30 1 1 A 87 87 PHE HA H 87 3.906 4.235 -0.329 1
1 1096 . 30 1 1 A 87 87 PHE C C 87 176.627 177.325 -0.698 1
1 1097 . 30 1 1 A 87 87 PHE CA C 87 59.554 61.215 -1.661 1
1 1098 . 30 1 1 A 87 87 PHE CB C 87 38.017 39.434 -1.417 1
1 1099 . 30 1 1 A 87 87 PHE N N 87 121.649 119.896 1.753 1
1 1100 . 30 1 1 A 88 88 LEU H H 88 7.953 8.058 -0.105 1
1 1101 . 30 1 1 A 88 88 LEU HA H 88 3.775 4.065 -0.290 1
1 1111 . 30 1 1 A 88 88 LEU C C 88 177.627 178.094 -0.467 1
1 1112 . 30 1 1 A 88 88 LEU CA C 88 55.078 57.083 -2.005 1
1 1113 . 30 1 1 A 88 88 LEU CB C 88 41.226 41.583 -0.357 1
1 1117 . 30 1 1 A 88 88 LEU N N 88 118.897 118.905 -0.008 1
1 1118 . 30 1 1 A 89 89 GLU H H 89 7.475 7.901 -0.426 1
1 1119 . 30 1 1 A 89 89 GLU HA H 89 3.914 4.143 -0.229 1
1 1124 . 30 1 1 A 89 89 GLU C C 89 176.127 176.962 -0.835 1
1 1125 . 30 1 1 A 89 89 GLU CA C 89 56.926 57.731 -0.805 1
1 1126 . 30 1 1 A 89 89 GLU CB C 89 28.567 29.480 -0.913 1
1 1128 . 30 1 1 A 89 89 GLU N N 89 119.332 119.310 0.022 1
1 1129 . 30 1 1 A 90 90 ASP H H 90 7.750 8.331 -0.581 1
1 1130 . 30 1 1 A 90 90 ASP HA H 90 4.370 4.685 -0.315 1
1 1133 . 30 1 1 A 90 90 ASP C C 90 175.227 177.208 -1.981 1
1 1134 . 30 1 1 A 90 90 ASP CA C 90 53.593 55.809 -2.216 1
1 1135 . 30 1 1 A 90 90 ASP CB C 90 40.323 41.684 -1.361 1
1 1136 . 30 1 1 A 90 90 ASP N N 90 118.945 120.470 -1.525 1
1 1137 . 30 1 1 A 91 91 ASN H H 91 7.681 7.345 0.336 1
1 1138 . 30 1 1 A 91 91 ASN HA H 91 4.495 4.825 -0.330 1
1 1143 . 30 1 1 A 91 91 ASN C C 91 173.027 174.739 -1.712 1
1 1144 . 30 1 1 A 91 91 ASN CA C 91 52.041 52.490 -0.449 1
1 1145 . 30 1 1 A 91 91 ASN CB C 91 38.072 37.140 0.932 1
1 1146 . 30 1 1 A 91 91 ASN N N 91 118.171 116.719 1.452 1
1 10 . 31 1 1 A 2 2 GLU H H 2 8.776 8.908 -0.132 1
1 11 . 31 1 1 A 2 2 GLU HA H 2 4.535 4.531 0.004 1
1 16 . 31 1 1 A 2 2 GLU C C 2 175.627 176.571 -0.944 1
1 17 . 31 1 1 A 2 2 GLU CA C 2 55.573 56.524 -0.951 1
1 18 . 31 1 1 A 2 2 GLU CB C 2 30.569 30.960 -0.391 1
1 20 . 31 1 1 A 2 2 GLU N N 2 124.305 123.380 0.925 1
1 21 . 31 1 1 A 3 3 THR H H 3 8.835 8.008 0.827 1
1 22 . 31 1 1 A 3 3 THR HA H 3 4.608 4.802 -0.194 1
1 27 . 31 1 1 A 3 3 THR CA C 3 59.187 58.843 0.344 1
1 28 . 31 1 1 A 3 3 THR CB C 3 67.385 70.915 -3.530 1
1 30 . 31 1 1 A 3 3 THR N N 3 116.176 111.149 5.027 1
1 31 . 31 1 1 A 4 4 PRO HA H 4 4.158 4.452 -0.294 1
1 38 . 31 1 1 A 4 4 PRO C C 4 179.327 177.649 1.678 1
1 39 . 31 1 1 A 4 4 PRO CA C 4 65.040 64.596 0.444 1
1 40 . 31 1 1 A 4 4 PRO CB C 4 30.616 31.954 -1.338 1
1 43 . 31 1 1 A 5 5 LEU H H 5 8.794 7.608 1.186 1
1 44 . 31 1 1 A 5 5 LEU HA H 5 3.944 4.058 -0.114 1
1 54 . 31 1 1 A 5 5 LEU C C 5 177.327 178.257 -0.930 1
1 55 . 31 1 1 A 5 5 LEU CA C 5 56.920 57.375 -0.455 1
1 56 . 31 1 1 A 5 5 LEU CB C 5 41.139 42.170 -1.031 1
1 60 . 31 1 1 A 5 5 LEU N N 5 118.892 119.474 -0.582 1
1 61 . 31 1 1 A 6 6 GLU H H 6 7.664 8.081 -0.417 1
1 62 . 31 1 1 A 6 6 GLU HA H 6 3.744 4.064 -0.320 1
1 67 . 31 1 1 A 6 6 GLU C C 6 178.827 179.538 -0.711 1
1 68 . 31 1 1 A 6 6 GLU CA C 6 59.347 59.365 -0.018 1
1 69 . 31 1 1 A 6 6 GLU CB C 6 28.700 28.986 -0.286 1
1 71 . 31 1 1 A 6 6 GLU N N 6 118.741 118.374 0.367 1
1 72 . 31 1 1 A 7 7 LYS H H 7 8.435 8.216 0.219 1
1 73 . 31 1 1 A 7 7 LYS HA H 7 3.909 4.079 -0.170 1
1 82 . 31 1 1 A 7 7 LYS C C 7 178.527 178.438 0.089 1
1 83 . 31 1 1 A 7 7 LYS CA C 7 58.539 58.940 -0.401 1
1 84 . 31 1 1 A 7 7 LYS CB C 7 31.217 32.296 -1.079 1
1 88 . 31 1 1 A 7 7 LYS N N 7 119.285 121.152 -1.867 1
1 89 . 31 1 1 A 8 8 ALA H H 8 8.008 7.830 0.178 1
1 90 . 31 1 1 A 8 8 ALA HA H 8 4.038 4.113 -0.075 1
1 94 . 31 1 1 A 8 8 ALA C C 8 178.327 180.190 -1.863 1
1 95 . 31 1 1 A 8 8 ALA CA C 8 54.356 54.702 -0.346 1
1 96 . 31 1 1 A 8 8 ALA CB C 8 17.509 18.407 -0.898 1
1 97 . 31 1 1 A 8 8 ALA N N 8 123.866 121.102 2.764 1
1 98 . 31 1 1 A 9 9 LEU H H 9 8.163 8.397 -0.234 1
1 99 . 31 1 1 A 9 9 LEU HA H 9 3.809 4.012 -0.203 1
1 109 . 31 1 1 A 9 9 LEU C C 9 178.527 179.329 -0.802 1
1 110 . 31 1 1 A 9 9 LEU CA C 9 57.256 58.038 -0.782 1
1 111 . 31 1 1 A 9 9 LEU CB C 9 40.483 41.874 -1.391 1
1 115 . 31 1 1 A 9 9 LEU N N 9 119.134 119.860 -0.726 1
1 116 . 31 1 1 A 10 10 THR H H 10 8.186 8.401 -0.215 1
1 117 . 31 1 1 A 10 10 THR HA H 10 3.741 3.933 -0.192 1
1 122 . 31 1 1 A 10 10 THR C C 10 176.727 176.724 0.003 1
1 123 . 31 1 1 A 10 10 THR CA C 10 66.345 66.743 -0.398 1
1 124 . 31 1 1 A 10 10 THR CB C 10 67.558 68.417 -0.859 1
1 126 . 31 1 1 A 10 10 THR N N 10 114.355 116.063 -1.708 1
1 127 . 31 1 1 A 11 11 THR H H 11 8.387 8.296 0.091 1
1 128 . 31 1 1 A 11 11 THR HA H 11 3.963 3.948 0.015 1
1 133 . 31 1 1 A 11 11 THR C C 11 176.827 175.929 0.898 1
1 134 . 31 1 1 A 11 11 THR CA C 11 65.801 66.824 -1.023 1
1 135 . 31 1 1 A 11 11 THR CB C 11 67.140 68.096 -0.956 1
1 137 . 31 1 1 A 11 11 THR N N 11 120.801 117.365 3.436 1
1 138 . 31 1 1 A 12 12 MET H H 12 8.299 8.531 -0.232 1
1 139 . 31 1 1 A 12 12 MET HA H 12 3.872 4.373 -0.501 1
1 147 . 31 1 1 A 12 12 MET C C 12 177.827 178.083 -0.256 1
1 148 . 31 1 1 A 12 12 MET CA C 12 59.263 58.423 0.840 1
1 149 . 31 1 1 A 12 12 MET CB C 12 31.845 32.502 -0.657 1
1 152 . 31 1 1 A 12 12 MET N N 12 124.102 119.938 4.164 1
1 153 . 31 1 1 A 13 13 VAL H H 13 7.820 8.355 -0.535 1
1 154 . 31 1 1 A 13 13 VAL HA H 13 3.937 4.210 -0.273 1
1 162 . 31 1 1 A 13 13 VAL C C 13 177.127 178.246 -1.119 1
1 163 . 31 1 1 A 13 13 VAL CA C 13 65.677 66.012 -0.335 1
1 164 . 31 1 1 A 13 13 VAL CB C 13 31.656 31.317 0.339 1
1 167 . 31 1 1 A 13 13 VAL N N 13 119.838 115.658 4.180 1
1 168 . 31 1 1 A 14 14 THR H H 14 9.107 8.203 0.904 1
1 169 . 31 1 1 A 14 14 THR HA H 14 3.654 4.089 -0.435 1
1 174 . 31 1 1 A 14 14 THR C C 14 177.527 176.454 1.073 1
1 175 . 31 1 1 A 14 14 THR CA C 14 65.273 66.341 -1.068 1
1 176 . 31 1 1 A 14 14 THR CB C 14 67.652 68.798 -1.146 1
1 178 . 31 1 1 A 14 14 THR N N 14 112.247 116.432 -4.185 1
1 179 . 31 1 1 A 15 15 THR H H 15 8.189 8.337 -0.148 1
1 180 . 31 1 1 A 15 15 THR HA H 15 3.864 4.267 -0.403 1
1 186 . 31 1 1 A 15 15 THR C C 15 173.627 176.833 -3.206 1
1 187 . 31 1 1 A 15 15 THR CA C 15 66.930 65.893 1.037 1
1 188 . 31 1 1 A 15 15 THR CB C 15 66.539 68.266 -1.727 1
1 190 . 31 1 1 A 15 15 THR N N 15 117.691 112.358 5.333 1
1 191 . 31 1 1 A 16 16 PHE H H 16 6.850 8.198 -1.348 1
1 192 . 31 1 1 A 16 16 PHE HA H 16 3.417 4.049 -0.632 1
1 199 . 31 1 1 A 16 16 PHE C C 16 175.627 177.442 -1.815 1
1 200 . 31 1 1 A 16 16 PHE CA C 16 61.577 61.664 -0.087 1
1 201 . 31 1 1 A 16 16 PHE CB C 16 38.177 39.157 -0.980 1
1 202 . 31 1 1 A 16 16 PHE N N 16 120.169 124.039 -3.870 1
1 203 . 31 1 1 A 17 17 HIS H H 17 6.924 8.301 -1.377 1
1 204 . 31 1 1 A 17 17 HIS HA H 17 4.755 4.343 0.412 1
1 207 . 31 1 1 A 17 17 HIS C C 17 176.227 177.600 -1.373 1
1 208 . 31 1 1 A 17 17 HIS CA C 17 56.810 59.501 -2.691 1
1 209 . 31 1 1 A 17 17 HIS CB C 17 29.597 30.546 -0.949 1
1 210 . 31 1 1 A 17 17 HIS N N 17 115.499 117.420 -1.921 1
1 211 . 31 1 1 A 18 18 LYS H H 18 7.888 8.196 -0.308 1
1 212 . 31 1 1 A 18 18 LYS HA H 18 3.870 3.869 0.001 1
1 221 . 31 1 1 A 18 18 LYS C C 18 176.927 177.029 -0.102 1
1 222 . 31 1 1 A 18 18 LYS CA C 18 57.897 58.548 -0.651 1
1 223 . 31 1 1 A 18 18 LYS CB C 18 31.582 32.045 -0.463 1
1 227 . 31 1 1 A 18 18 LYS N N 18 121.217 119.956 1.261 1
1 228 . 31 1 1 A 19 19 TYR H H 19 6.928 7.554 -0.626 1
1 229 . 31 1 1 A 19 19 TYR HA H 19 4.163 4.641 -0.478 1
1 234 . 31 1 1 A 19 19 TYR C C 19 175.027 176.363 -1.336 1
1 235 . 31 1 1 A 19 19 TYR CA C 19 59.335 58.426 0.909 1
1 236 . 31 1 1 A 19 19 TYR CB C 19 39.515 40.156 -0.641 1
1 237 . 31 1 1 A 19 19 TYR N N 19 114.488 116.284 -1.796 1
1 238 . 31 1 1 A 20 20 SER H H 20 8.021 8.162 -0.141 1
1 239 . 31 1 1 A 20 20 SER HA H 20 3.105 4.006 -0.901 1
1 242 . 31 1 1 A 20 20 SER C C 20 176.527 176.514 0.013 1
1 243 . 31 1 1 A 20 20 SER CA C 20 60.457 60.804 -0.347 1
1 244 . 31 1 1 A 20 20 SER CB C 20 60.326 62.689 -2.363 1
1 245 . 31 1 1 A 20 20 SER N N 20 112.624 115.983 -3.359 1
1 246 . 31 1 1 A 21 21 GLY H H 21 7.908 8.148 -0.240 1
1 247 . 31 1 1 A 21 21 GLY HA2 H 21 4.197 3.914 0.283 1
1 248 . 31 1 1 A 21 21 GLY HA3 H 21 3.761 3.939 -0.178 1
1 249 . 31 1 1 A 21 21 GLY C C 21 173.027 175.057 -2.030 1
1 250 . 31 1 1 A 21 21 GLY CA C 21 44.357 45.750 -1.393 1
1 251 . 31 1 1 A 21 21 GLY N N 21 112.095 106.911 5.184 1
1 252 . 31 1 1 A 22 22 ARG H H 22 7.470 7.633 -0.163 1
1 253 . 31 1 1 A 22 22 ARG HA H 22 3.956 4.043 -0.087 1
1 260 . 31 1 1 A 22 22 ARG C C 22 176.327 175.894 0.433 1
1 261 . 31 1 1 A 22 22 ARG CA C 22 58.189 58.518 -0.329 1
1 262 . 31 1 1 A 22 22 ARG CB C 22 29.483 30.715 -1.232 1
1 265 . 31 1 1 A 22 22 ARG N N 22 122.481 120.764 1.717 1
1 266 . 31 1 1 A 23 23 GLU H H 23 9.412 7.852 1.560 1
1 267 . 31 1 1 A 23 23 GLU HA H 23 4.626 4.494 0.132 1
1 272 . 31 1 1 A 23 23 GLU C C 23 175.027 176.001 -0.974 1
1 273 . 31 1 1 A 23 23 GLU CA C 23 53.319 56.181 -2.862 1
1 274 . 31 1 1 A 23 23 GLU CB C 23 32.032 33.060 -1.028 1
1 276 . 31 1 1 A 23 23 GLU N N 23 116.123 118.263 -2.140 1
1 277 . 31 1 1 A 24 24 GLY H H 24 9.080 8.758 0.322 1
1 278 . 31 1 1 A 24 24 GLY HA2 H 24 3.694 3.822 -0.128 1
1 279 . 31 1 1 A 24 24 GLY HA3 H 24 3.878 3.869 0.009 1
1 280 . 31 1 1 A 24 24 GLY C C 24 172.827 173.917 -1.090 1
1 281 . 31 1 1 A 24 24 GLY CA C 24 44.707 46.885 -2.178 1
1 282 . 31 1 1 A 24 24 GLY N N 24 114.015 115.010 -0.995 1
1 283 . 31 1 1 A 25 25 SER H H 25 8.465 8.872 -0.407 1
1 284 . 31 1 1 A 25 25 SER HA H 25 4.312 4.269 0.043 1
1 287 . 31 1 1 A 25 25 SER C C 25 178.027 174.336 3.691 1
1 288 . 31 1 1 A 25 25 SER CA C 25 57.478 59.680 -2.202 1
1 289 . 31 1 1 A 25 25 SER CB C 25 61.941 64.052 -2.111 1
1 290 . 31 1 1 A 25 25 SER N N 25 117.299 120.127 -2.828 1
1 291 . 31 1 1 A 26 26 LYS H H 26 9.532 8.815 0.717 1
1 292 . 31 1 1 A 26 26 LYS HA H 26 4.660 4.526 0.134 1
1 301 . 31 1 1 A 26 26 LYS C C 26 176.127 176.832 -0.705 1
1 302 . 31 1 1 A 26 26 LYS CA C 26 56.928 56.233 0.695 1
1 303 . 31 1 1 A 26 26 LYS CB C 26 30.526 33.329 -2.803 1
1 307 . 31 1 1 A 26 26 LYS N N 26 131.209 124.650 6.559 1
1 308 . 31 1 1 A 27 27 LEU H H 27 8.643 7.886 0.757 1
1 309 . 31 1 1 A 27 27 LEU HA H 27 4.583 4.577 0.006 1
1 319 . 31 1 1 A 27 27 LEU C C 27 174.827 176.535 -1.708 1
1 320 . 31 1 1 A 27 27 LEU CA C 27 53.205 54.777 -1.572 1
1 321 . 31 1 1 A 27 27 LEU CB C 27 41.824 42.952 -1.128 1
1 325 . 31 1 1 A 27 27 LEU N N 27 118.729 119.955 -1.226 1
1 326 . 31 1 1 A 28 28 THR H H 28 7.037 7.229 -0.192 1
1 327 . 31 1 1 A 28 28 THR HA H 28 5.168 5.466 -0.298 1
1 332 . 31 1 1 A 28 28 THR C C 28 172.727 172.396 0.331 1
1 333 . 31 1 1 A 28 28 THR CA C 28 57.915 60.031 -2.116 1
1 334 . 31 1 1 A 28 28 THR CB C 28 71.934 71.902 0.032 1
1 336 . 31 1 1 A 28 28 THR N N 28 104.663 110.546 -5.883 1
1 337 . 31 1 1 A 29 29 LEU H H 29 9.517 9.168 0.349 1
1 338 . 31 1 1 A 29 29 LEU HA H 29 5.196 4.639 0.557 1
1 348 . 31 1 1 A 29 29 LEU C C 29 175.527 175.938 -0.411 1
1 349 . 31 1 1 A 29 29 LEU CA C 29 51.653 53.664 -2.011 1
1 350 . 31 1 1 A 29 29 LEU CB C 29 42.301 42.498 -0.197 1
1 354 . 31 1 1 A 29 29 LEU N N 29 125.388 124.050 1.338 1
1 355 . 31 1 1 A 30 30 SER H H 30 10.053 8.809 1.244 1
1 356 . 31 1 1 A 30 30 SER HA H 30 4.475 4.558 -0.083 1
1 359 . 31 1 1 A 30 30 SER C C 30 173.427 175.539 -2.112 1
1 360 . 31 1 1 A 30 30 SER CA C 30 55.011 58.719 -3.708 1
1 361 . 31 1 1 A 30 30 SER CB C 30 64.446 63.688 0.758 1
1 362 . 31 1 1 A 30 30 SER N N 30 121.114 120.908 0.206 1
1 363 . 31 1 1 A 31 31 ARG H H 31 8.992 8.768 0.224 1
1 364 . 31 1 1 A 31 31 ARG HA H 31 3.923 3.977 -0.054 1
1 371 . 31 1 1 A 31 31 ARG C C 31 177.027 177.775 -0.748 1
1 372 . 31 1 1 A 31 31 ARG CA C 31 59.408 59.441 -0.033 1
1 373 . 31 1 1 A 31 31 ARG CB C 31 29.041 29.991 -0.950 1
1 376 . 31 1 1 A 31 31 ARG N N 31 120.513 125.689 -5.176 1
1 377 . 31 1 1 A 32 32 LYS H H 32 7.845 8.135 -0.290 1
1 378 . 31 1 1 A 32 32 LYS HA H 32 3.826 4.091 -0.265 1
1 387 . 31 1 1 A 32 32 LYS C C 32 178.927 178.907 0.020 1
1 388 . 31 1 1 A 32 32 LYS CA C 32 58.677 59.042 -0.365 1
1 389 . 31 1 1 A 32 32 LYS CB C 32 31.964 32.360 -0.396 1
1 393 . 31 1 1 A 32 32 LYS N N 32 117.011 118.860 -1.849 1
1 394 . 31 1 1 A 33 33 GLU H H 33 7.612 8.220 -0.608 1
1 395 . 31 1 1 A 33 33 GLU HA H 33 3.954 4.079 -0.125 1
1 400 . 31 1 1 A 33 33 GLU C C 33 177.227 179.191 -1.964 1
1 401 . 31 1 1 A 33 33 GLU CA C 33 58.289 58.955 -0.666 1
1 402 . 31 1 1 A 33 33 GLU CB C 33 29.757 29.480 0.277 1
1 404 . 31 1 1 A 33 33 GLU N N 33 120.815 120.593 0.222 1
1 405 . 31 1 1 A 34 34 LEU H H 34 8.694 8.203 0.491 1
1 406 . 31 1 1 A 34 34 LEU HA H 34 3.811 3.964 -0.153 1
1 416 . 31 1 1 A 34 34 LEU C C 34 176.927 178.252 -1.325 1
1 417 . 31 1 1 A 34 34 LEU CA C 34 57.025 57.766 -0.741 1
1 418 . 31 1 1 A 34 34 LEU CB C 34 40.638 41.294 -0.656 1
1 422 . 31 1 1 A 34 34 LEU N N 34 119.291 121.316 -2.025 1
1 423 . 31 1 1 A 35 35 LYS H H 35 8.114 7.772 0.342 1
1 424 . 31 1 1 A 35 35 LYS HA H 35 3.569 3.810 -0.241 1
1 433 . 31 1 1 A 35 35 LYS C C 35 177.027 178.764 -1.737 1
1 434 . 31 1 1 A 35 35 LYS CA C 35 59.419 59.729 -0.310 1
1 435 . 31 1 1 A 35 35 LYS CB C 35 31.271 32.340 -1.069 1
1 439 . 31 1 1 A 35 35 LYS N N 35 117.277 119.046 -1.769 1
1 440 . 31 1 1 A 36 36 GLU H H 36 7.560 8.009 -0.449 1
1 441 . 31 1 1 A 36 36 GLU HA H 36 3.845 4.150 -0.305 1
1 446 . 31 1 1 A 36 36 GLU C C 36 175.827 178.459 -2.632 1
1 447 . 31 1 1 A 36 36 GLU CA C 36 58.190 58.830 -0.640 1
1 448 . 31 1 1 A 36 36 GLU CB C 36 28.253 29.473 -1.220 1
1 450 . 31 1 1 A 36 36 GLU N N 36 119.302 118.800 0.502 1
1 451 . 31 1 1 A 37 37 LEU H H 37 7.682 7.917 -0.235 1
1 452 . 31 1 1 A 37 37 LEU HA H 37 2.280 2.884 -0.604 1
1 462 . 31 1 1 A 37 37 LEU C C 37 178.327 178.360 -0.033 1
1 463 . 31 1 1 A 37 37 LEU CA C 37 58.225 57.953 0.272 1
1 464 . 31 1 1 A 37 37 LEU CB C 37 41.090 41.200 -0.110 1
1 468 . 31 1 1 A 37 37 LEU N N 37 121.690 120.622 1.068 1
1 469 . 31 1 1 A 38 38 ILE H H 38 8.157 7.854 0.303 1
1 470 . 31 1 1 A 38 38 ILE HA H 38 3.292 3.644 -0.352 1
1 480 . 31 1 1 A 38 38 ILE C C 38 177.027 178.565 -1.538 1
1 481 . 31 1 1 A 38 38 ILE CA C 38 65.007 65.577 -0.570 1
1 482 . 31 1 1 A 38 38 ILE CB C 38 37.187 37.981 -0.794 1
1 486 . 31 1 1 A 38 38 ILE N N 38 117.626 120.063 -2.437 1
1 487 . 31 1 1 A 39 39 LYS H H 39 8.068 7.730 0.338 1
1 488 . 31 1 1 A 39 39 LYS HA H 39 3.876 4.176 -0.300 1
1 497 . 31 1 1 A 39 39 LYS C C 39 177.927 178.659 -0.732 1
1 498 . 31 1 1 A 39 39 LYS CA C 39 58.204 58.517 -0.313 1
1 499 . 31 1 1 A 39 39 LYS CB C 39 31.731 31.315 0.416 1
1 503 . 31 1 1 A 39 39 LYS N N 39 117.909 120.470 -2.561 1
1 504 . 31 1 1 A 40 40 LYS H H 40 8.094 7.621 0.473 1
1 505 . 31 1 1 A 40 40 LYS HA H 40 4.248 4.149 0.099 1
1 514 . 31 1 1 A 40 40 LYS C C 40 178.227 178.143 0.084 1
1 515 . 31 1 1 A 40 40 LYS CA C 40 56.291 59.128 -2.837 1
1 516 . 31 1 1 A 40 40 LYS CB C 40 32.652 32.930 -0.278 1
1 520 . 31 1 1 A 40 40 LYS N N 40 114.323 118.659 -4.336 1
1 521 . 31 1 1 A 41 41 GLU H H 41 8.381 7.986 0.395 1
1 522 . 31 1 1 A 41 41 GLU HA H 41 4.744 4.488 0.256 1
1 527 . 31 1 1 A 41 41 GLU C C 41 176.227 175.685 0.542 1
1 528 . 31 1 1 A 41 41 GLU CA C 41 55.054 56.099 -1.045 1
1 529 . 31 1 1 A 41 41 GLU CB C 41 29.598 30.442 -0.844 1
1 531 . 31 1 1 A 41 41 GLU N N 41 113.079 115.369 -2.290 1
1 532 . 31 1 1 A 42 42 LEU H H 42 7.544 7.507 0.037 1
1 533 . 31 1 1 A 42 42 LEU HA H 42 4.754 4.660 0.094 1
1 542 . 31 1 1 A 42 42 LEU CA C 42 52.564 54.466 -1.902 1
1 543 . 31 1 1 A 42 42 LEU CB C 42 43.848 44.976 -1.128 1
1 546 . 31 1 1 A 42 42 LEU N N 42 118.458 119.689 -1.231 1
1 547 . 31 1 1 A 43 43 CYS H H 43 8.342 9.021 -0.679 1
1 548 . 31 1 1 A 43 43 CYS HA H 43 4.486 4.205 0.281 1
1 551 . 31 1 1 A 43 43 CYS C C 43 174.327 174.923 -0.596 1
1 552 . 31 1 1 A 43 43 CYS CA C 43 57.655 62.100 -4.445 1
1 553 . 31 1 1 A 43 43 CYS CB C 43 25.653 27.430 -1.777 1
1 554 . 31 1 1 A 44 44 LEU H H 44 8.123 8.047 0.076 1
1 555 . 31 1 1 A 44 44 LEU HA H 44 4.339 3.940 0.399 1
1 565 . 31 1 1 A 44 44 LEU C C 44 176.927 176.968 -0.041 1
1 566 . 31 1 1 A 44 44 LEU CA C 44 53.750 57.703 -3.953 1
1 567 . 31 1 1 A 44 44 LEU CB C 44 40.784 40.052 0.732 1
1 571 . 31 1 1 A 44 44 LEU N N 44 121.974 120.006 1.968 1
1 572 . 31 1 1 A 45 45 GLY H H 45 8.072 8.443 -0.371 1
1 573 . 31 1 1 A 45 45 GLY HA2 H 45 3.889 4.006 -0.117 1
1 574 . 31 1 1 A 45 45 GLY HA3 H 45 3.698 4.078 -0.380 1
1 575 . 31 1 1 A 45 45 GLY C C 45 173.127 174.330 -1.203 1
1 576 . 31 1 1 A 45 45 GLY CA C 45 44.291 45.162 -0.871 1
1 577 . 31 1 1 A 45 45 GLY N N 45 107.819 105.809 2.010 1
1 578 . 31 1 1 A 46 46 GLU H H 46 8.472 8.454 0.018 1
1 579 . 31 1 1 A 46 46 GLU HA H 46 4.048 4.349 -0.301 1
1 584 . 31 1 1 A 46 46 GLU C C 46 175.727 174.938 0.789 1
1 585 . 31 1 1 A 46 46 GLU CA C 46 56.461 57.270 -0.809 1
1 586 . 31 1 1 A 46 46 GLU CB C 46 28.208 28.675 -0.467 1
1 588 . 31 1 1 A 46 46 GLU N N 46 120.563 118.634 1.929 1
1 589 . 31 1 1 A 47 47 MET H H 47 8.189 8.826 -0.637 1
1 590 . 31 1 1 A 47 47 MET HA H 47 4.413 5.009 -0.596 1
1 598 . 31 1 1 A 47 47 MET C C 47 175.027 175.806 -0.779 1
1 599 . 31 1 1 A 47 47 MET CA C 47 53.905 54.217 -0.312 1
1 600 . 31 1 1 A 47 47 MET CB C 47 32.611 32.739 -0.128 1
1 603 . 31 1 1 A 47 47 MET N N 47 123.201 124.409 -1.208 1
1 604 . 31 1 1 A 48 48 LYS H H 48 8.355 8.808 -0.453 1
1 605 . 31 1 1 A 48 48 LYS HA H 48 4.237 4.616 -0.379 1
1 614 . 31 1 1 A 48 48 LYS C C 48 177.027 177.868 -0.841 1
1 615 . 31 1 1 A 48 48 LYS CA C 48 55.443 54.584 0.859 1
1 616 . 31 1 1 A 48 48 LYS CB C 48 32.173 34.724 -2.551 1
1 620 . 31 1 1 A 48 48 LYS N N 48 123.046 123.163 -0.117 1
1 621 . 31 1 1 A 49 49 GLU H H 49 8.742 8.947 -0.205 1
1 622 . 31 1 1 A 49 49 GLU HA H 49 3.884 3.943 -0.059 1
1 627 . 31 1 1 A 49 49 GLU C C 49 177.727 178.471 -0.744 1
1 628 . 31 1 1 A 49 49 GLU CA C 49 58.534 60.142 -1.608 1
1 629 . 31 1 1 A 49 49 GLU CB C 49 27.870 29.357 -1.487 1
1 631 . 31 1 1 A 49 49 GLU N N 49 122.407 122.436 -0.029 1
1 632 . 31 1 1 A 50 50 SER H H 50 8.324 8.221 0.103 1
1 633 . 31 1 1 A 50 50 SER HA H 50 4.188 4.309 -0.121 1
1 636 . 31 1 1 A 50 50 SER C C 50 175.427 175.163 0.264 1
1 637 . 31 1 1 A 50 50 SER CA C 50 59.402 60.504 -1.102 1
1 638 . 31 1 1 A 50 50 SER CB C 50 61.442 62.723 -1.281 1
1 639 . 31 1 1 A 50 50 SER N N 50 112.475 115.586 -3.111 1
1 640 . 31 1 1 A 51 51 SER H H 51 7.400 8.080 -0.680 1
1 641 . 31 1 1 A 51 51 SER HA H 51 3.926 4.606 -0.680 1
1 644 . 31 1 1 A 51 51 SER C C 51 176.027 175.159 0.868 1
1 645 . 31 1 1 A 51 51 SER CA C 51 59.762 58.828 0.934 1
1 646 . 31 1 1 A 51 51 SER CB C 51 60.955 64.528 -3.573 1
1 647 . 31 1 1 A 51 51 SER N N 51 118.432 114.407 4.025 1
1 648 . 31 1 1 A 52 52 ILE H H 52 7.790 7.973 -0.183 1
1 649 . 31 1 1 A 52 52 ILE HA H 52 3.642 3.882 -0.240 1
1 659 . 31 1 1 A 52 52 ILE C C 52 176.427 177.309 -0.882 1
1 660 . 31 1 1 A 52 52 ILE CA C 52 61.984 64.429 -2.445 1
1 661 . 31 1 1 A 52 52 ILE CB C 52 34.990 38.002 -3.012 1
1 665 . 31 1 1 A 52 52 ILE N N 52 123.838 121.109 2.729 1
1 666 . 31 1 1 A 53 53 ASP H H 53 8.092 7.535 0.557 1
1 667 . 31 1 1 A 53 53 ASP HA H 53 4.225 4.423 -0.198 1
1 670 . 31 1 1 A 53 53 ASP C C 53 178.227 177.700 0.527 1
1 671 . 31 1 1 A 53 53 ASP CA C 53 56.606 56.050 0.556 1
1 672 . 31 1 1 A 53 53 ASP CB C 53 39.034 40.830 -1.796 1
1 673 . 31 1 1 A 53 53 ASP N N 53 121.313 120.855 0.458 1
1 674 . 31 1 1 A 54 54 ASP H H 54 7.811 7.772 0.039 1
1 675 . 31 1 1 A 54 54 ASP HA H 54 4.253 4.522 -0.269 1
1 678 . 31 1 1 A 54 54 ASP C C 54 177.927 178.469 -0.542 1
1 679 . 31 1 1 A 54 54 ASP CA C 54 56.467 56.194 0.273 1
1 680 . 31 1 1 A 54 54 ASP CB C 54 39.401 40.772 -1.371 1
1 681 . 31 1 1 A 54 54 ASP N N 54 120.122 119.428 0.694 1
1 682 . 31 1 1 A 55 55 LEU H H 55 7.789 7.857 -0.068 1
1 683 . 31 1 1 A 55 55 LEU HA H 55 3.979 3.898 0.081 1
1 693 . 31 1 1 A 55 55 LEU C C 55 178.027 178.680 -0.653 1
1 694 . 31 1 1 A 55 55 LEU CA C 55 56.713 58.052 -1.339 1
1 695 . 31 1 1 A 55 55 LEU CB C 55 40.799 41.650 -0.851 1
1 699 . 31 1 1 A 55 55 LEU N N 55 122.944 119.981 2.963 1
1 700 . 31 1 1 A 56 56 MET H H 56 8.601 8.574 0.027 1
1 701 . 31 1 1 A 56 56 MET HA H 56 3.827 4.088 -0.261 1
1 709 . 31 1 1 A 56 56 MET C C 56 177.027 178.092 -1.065 1
1 710 . 31 1 1 A 56 56 MET CA C 56 57.116 58.404 -1.288 1
1 711 . 31 1 1 A 56 56 MET CB C 56 29.825 31.834 -2.009 1
1 714 . 31 1 1 A 56 56 MET N N 56 117.863 118.154 -0.291 1
1 715 . 31 1 1 A 57 57 LYS H H 57 7.693 7.918 -0.225 1
1 716 . 31 1 1 A 57 57 LYS HA H 57 3.954 4.139 -0.185 1
1 725 . 31 1 1 A 57 57 LYS C C 57 178.127 179.531 -1.404 1
1 726 . 31 1 1 A 57 57 LYS CA C 57 58.352 59.080 -0.728 1
1 727 . 31 1 1 A 57 57 LYS CB C 57 31.315 32.021 -0.706 1
1 731 . 31 1 1 A 57 57 LYS N N 57 116.455 119.256 -2.801 1
1 732 . 31 1 1 A 58 58 SER H H 58 7.661 8.219 -0.558 1
1 733 . 31 1 1 A 58 58 SER HA H 58 4.115 4.293 -0.178 1
1 736 . 31 1 1 A 58 58 SER C C 58 174.827 176.077 -1.250 1
1 737 . 31 1 1 A 58 58 SER CA C 58 59.986 62.087 -2.101 1
1 738 . 31 1 1 A 58 58 SER CB C 58 62.464 63.070 -0.606 1
1 739 . 31 1 1 A 58 58 SER N N 58 113.020 116.500 -3.480 1
1 740 . 31 1 1 A 59 59 LEU H H 59 7.917 7.770 0.147 1
1 741 . 31 1 1 A 59 59 LEU HA H 59 4.269 4.161 0.108 1
1 751 . 31 1 1 A 59 59 LEU C C 59 177.627 177.995 -0.368 1
1 752 . 31 1 1 A 59 59 LEU CA C 59 54.402 56.889 -2.487 1
1 753 . 31 1 1 A 59 59 LEU CB C 59 43.731 42.696 1.035 1
1 757 . 31 1 1 A 59 59 LEU N N 59 117.463 119.617 -2.154 1
1 758 . 31 1 1 A 60 60 ASP H H 60 8.025 8.275 -0.250 1
1 759 . 31 1 1 A 60 60 ASP HA H 60 4.566 4.658 -0.092 1
1 762 . 31 1 1 A 60 60 ASP C C 60 176.627 176.988 -0.361 1
1 763 . 31 1 1 A 60 60 ASP CA C 60 52.335 52.643 -0.308 1
1 764 . 31 1 1 A 60 60 ASP CB C 60 38.139 39.108 -0.969 1
1 765 . 31 1 1 A 60 60 ASP N N 60 117.588 118.328 -0.740 1
1 766 . 31 1 1 A 61 61 LYS H H 61 8.100 8.007 0.093 1
1 767 . 31 1 1 A 61 61 LYS HA H 61 4.035 4.025 0.010 1
1 776 . 31 1 1 A 61 61 LYS C C 61 176.727 178.542 -1.815 1
1 777 . 31 1 1 A 61 61 LYS CA C 61 56.887 59.600 -2.713 1
1 778 . 31 1 1 A 61 61 LYS CB C 61 31.653 32.325 -0.672 1
1 782 . 31 1 1 A 61 61 LYS N N 61 126.943 125.079 1.864 1
1 783 . 31 1 1 A 62 62 ASN H H 62 7.864 8.105 -0.241 1
1 784 . 31 1 1 A 62 62 ASN HA H 62 4.759 4.678 0.081 1
1 789 . 31 1 1 A 62 62 ASN C C 62 173.727 174.854 -1.127 1
1 790 . 31 1 1 A 62 62 ASN CA C 62 50.660 52.228 -1.568 1
1 791 . 31 1 1 A 62 62 ASN CB C 62 35.920 37.596 -1.676 1
1 792 . 31 1 1 A 62 62 ASN N N 62 113.588 113.912 -0.324 1
1 794 . 31 1 1 A 63 63 SER H H 63 7.613 8.171 -0.558 1
1 795 . 31 1 1 A 63 63 SER HA H 63 3.962 4.173 -0.211 1
1 798 . 31 1 1 A 63 63 SER C C 63 172.927 173.114 -0.187 1
1 799 . 31 1 1 A 63 63 SER CA C 63 58.262 59.053 -0.791 1
1 800 . 31 1 1 A 63 63 SER CB C 63 60.708 61.395 -0.687 1
1 801 . 31 1 1 A 63 63 SER N N 63 111.592 111.711 -0.119 1
1 802 . 31 1 1 A 64 64 ASP H H 64 8.217 8.089 0.128 1
1 803 . 31 1 1 A 64 64 ASP HA H 64 4.653 4.982 -0.329 1
1 806 . 31 1 1 A 64 64 ASP C C 64 175.927 175.189 0.738 1
1 807 . 31 1 1 A 64 64 ASP CA C 64 51.641 53.349 -1.708 1
1 808 . 31 1 1 A 64 64 ASP CB C 64 39.385 41.095 -1.710 1
1 809 . 31 1 1 A 64 64 ASP N N 64 118.913 116.676 2.237 1
1 810 . 31 1 1 A 65 65 GLN H H 65 10.239 8.500 1.739 1
1 811 . 31 1 1 A 65 65 GLN HA H 65 3.356 4.558 -1.202 1
1 818 . 31 1 1 A 65 65 GLN C C 65 172.627 175.308 -2.681 1
1 819 . 31 1 1 A 65 65 GLN CA C 65 56.325 55.681 0.644 1
1 820 . 31 1 1 A 65 65 GLN CB C 65 24.910 31.026 -6.116 1
1 822 . 31 1 1 A 65 65 GLN N N 65 114.908 119.711 -4.803 1
1 824 . 31 1 1 A 66 66 GLU H H 66 7.710 8.053 -0.343 1
1 825 . 31 1 1 A 66 66 GLU HA H 66 4.691 4.984 -0.293 1
1 830 . 31 1 1 A 66 66 GLU C C 66 174.127 175.080 -0.953 1
1 831 . 31 1 1 A 66 66 GLU CA C 66 52.987 54.826 -1.839 1
1 832 . 31 1 1 A 66 66 GLU CB C 66 32.433 33.511 -1.078 1
1 834 . 31 1 1 A 66 66 GLU N N 66 115.721 118.737 -3.016 1
1 835 . 31 1 1 A 67 67 ILE H H 67 9.938 9.412 0.526 1
1 836 . 31 1 1 A 67 67 ILE HA H 67 5.291 4.831 0.460 1
1 846 . 31 1 1 A 67 67 ILE C C 67 175.627 175.616 0.011 1
1 847 . 31 1 1 A 67 67 ILE CA C 67 56.241 60.547 -4.306 1
1 848 . 31 1 1 A 67 67 ILE CB C 67 35.492 37.954 -2.462 1
1 852 . 31 1 1 A 67 67 ILE N N 67 125.901 123.924 1.977 1
1 853 . 31 1 1 A 68 68 ASP H H 68 8.794 8.557 0.237 1
1 854 . 31 1 1 A 68 68 ASP HA H 68 5.002 4.783 0.219 1
1 857 . 31 1 1 A 68 68 ASP C C 68 174.427 177.302 -2.875 1
1 858 . 31 1 1 A 68 68 ASP CA C 68 51.563 54.393 -2.830 1
1 859 . 31 1 1 A 68 68 ASP CB C 68 40.493 42.681 -2.188 1
1 860 . 31 1 1 A 68 68 ASP N N 68 127.844 128.378 -0.534 1
1 861 . 31 1 1 A 69 69 PHE H H 69 9.068 8.676 0.392 1
1 862 . 31 1 1 A 69 69 PHE HA H 69 3.130 3.981 -0.851 1
1 869 . 31 1 1 A 69 69 PHE C C 69 176.827 177.288 -0.461 1
1 870 . 31 1 1 A 69 69 PHE CA C 69 62.478 61.711 0.767 1
1 871 . 31 1 1 A 69 69 PHE CB C 69 38.096 39.322 -1.226 1
1 872 . 31 1 1 A 69 69 PHE N N 69 118.955 127.260 -8.305 1
1 873 . 31 1 1 A 70 70 LYS H H 70 8.123 8.132 -0.009 1
1 874 . 31 1 1 A 70 70 LYS HA H 70 3.871 4.202 -0.331 1
1 883 . 31 1 1 A 70 70 LYS C C 70 179.527 179.235 0.292 1
1 884 . 31 1 1 A 70 70 LYS CA C 70 59.457 58.346 1.111 1
1 885 . 31 1 1 A 70 70 LYS CB C 70 30.772 32.527 -1.755 1
1 889 . 31 1 1 A 70 70 LYS N N 70 120.287 117.950 2.337 1
1 890 . 31 1 1 A 71 71 GLU H H 71 8.746 7.909 0.837 1
1 891 . 31 1 1 A 71 71 GLU HA H 71 4.099 4.053 0.046 1
1 896 . 31 1 1 A 71 71 GLU C C 71 179.127 178.890 0.237 1
1 897 . 31 1 1 A 71 71 GLU CA C 71 57.934 59.340 -1.406 1
1 898 . 31 1 1 A 71 71 GLU CB C 71 29.266 29.668 -0.402 1
1 900 . 31 1 1 A 71 71 GLU N N 71 122.207 120.519 1.688 1
1 901 . 31 1 1 A 72 72 TYR H H 72 8.879 8.676 0.203 1
1 902 . 31 1 1 A 72 72 TYR HA H 72 4.010 4.282 -0.272 1
1 909 . 31 1 1 A 72 72 TYR C C 72 175.927 177.666 -1.739 1
1 910 . 31 1 1 A 72 72 TYR CA C 72 58.551 61.444 -2.893 1
1 911 . 31 1 1 A 72 72 TYR CB C 72 38.072 38.555 -0.483 1
1 912 . 31 1 1 A 72 72 TYR N N 72 121.813 122.493 -0.680 1
1 913 . 31 1 1 A 73 73 SER H H 73 8.414 7.845 0.569 1
1 914 . 31 1 1 A 73 73 SER HA H 73 3.462 4.027 -0.565 1
1 917 . 31 1 1 A 73 73 SER C C 73 175.127 176.352 -1.225 1
1 918 . 31 1 1 A 73 73 SER CA C 73 61.876 61.925 -0.049 1
1 919 . 31 1 1 A 73 73 SER CB C 73 61.327 62.970 -1.643 1
1 920 . 31 1 1 A 73 73 SER N N 73 117.840 115.615 2.225 1
1 921 . 31 1 1 A 74 74 VAL H H 74 7.363 7.164 0.199 1
1 922 . 31 1 1 A 74 74 VAL HA H 74 3.584 3.810 -0.226 1
1 930 . 31 1 1 A 74 74 VAL C C 74 178.027 178.117 -0.090 1
1 931 . 31 1 1 A 74 74 VAL CA C 74 65.397 65.627 -0.230 1
1 932 . 31 1 1 A 74 74 VAL CB C 74 30.300 31.231 -0.931 1
1 935 . 31 1 1 A 74 74 VAL N N 74 123.439 118.055 5.384 1
1 936 . 31 1 1 A 75 75 PHE H H 75 7.282 8.138 -0.856 1
1 937 . 31 1 1 A 75 75 PHE HA H 75 4.562 3.969 0.593 1
1 945 . 31 1 1 A 75 75 PHE C C 75 176.127 176.985 -0.858 1
1 946 . 31 1 1 A 75 75 PHE CA C 75 57.851 60.958 -3.107 1
1 947 . 31 1 1 A 75 75 PHE CB C 75 36.863 38.851 -1.988 1
1 948 . 31 1 1 A 75 75 PHE N N 75 122.766 123.940 -1.174 1
1 949 . 31 1 1 A 76 76 LEU H H 76 7.823 8.216 -0.393 1
1 950 . 31 1 1 A 76 76 LEU HA H 76 3.445 3.551 -0.106 1
1 960 . 31 1 1 A 76 76 LEU C C 76 178.927 179.340 -0.413 1
1 961 . 31 1 1 A 76 76 LEU CA C 76 56.891 57.294 -0.403 1
1 962 . 31 1 1 A 76 76 LEU CB C 76 39.917 40.661 -0.744 1
1 966 . 31 1 1 A 76 76 LEU N N 76 115.619 118.242 -2.623 1
1 967 . 31 1 1 A 77 77 THR H H 77 7.858 7.614 0.244 1
1 968 . 31 1 1 A 77 77 THR HA H 77 3.665 3.770 -0.105 1
1 974 . 31 1 1 A 77 77 THR C C 77 175.427 176.670 -1.243 1
1 975 . 31 1 1 A 77 77 THR CA C 77 66.127 66.712 -0.585 1
1 976 . 31 1 1 A 77 77 THR CB C 77 67.585 68.348 -0.763 1
1 978 . 31 1 1 A 77 77 THR N N 77 113.417 114.790 -1.373 1
1 979 . 31 1 1 A 78 78 MET H H 78 7.970 8.289 -0.319 1
1 980 . 31 1 1 A 78 78 MET HA H 78 3.935 3.998 -0.063 1
1 988 . 31 1 1 A 78 78 MET C C 78 179.127 178.888 0.239 1
1 989 . 31 1 1 A 78 78 MET CA C 78 58.780 58.888 -0.108 1
1 990 . 31 1 1 A 78 78 MET CB C 78 31.501 32.803 -1.302 1
1 993 . 31 1 1 A 78 78 MET N N 78 122.745 118.365 4.380 1
1 994 . 31 1 1 A 79 79 LEU H H 79 7.898 8.091 -0.193 1
1 995 . 31 1 1 A 79 79 LEU HA H 79 3.870 3.997 -0.127 1
1 1005 . 31 1 1 A 79 79 LEU C C 79 178.427 179.187 -0.760 1
1 1006 . 31 1 1 A 79 79 LEU CA C 79 56.843 57.772 -0.929 1
1 1007 . 31 1 1 A 79 79 LEU CB C 79 41.099 41.307 -0.208 1
1 1011 . 31 1 1 A 79 79 LEU N N 79 120.989 119.801 1.188 1
1 1012 . 31 1 1 A 80 80 CYS H H 80 8.400 8.275 0.125 1
1 1013 . 31 1 1 A 80 80 CYS HA H 80 3.830 3.963 -0.133 1
1 1017 . 31 1 1 A 80 80 CYS C C 80 175.927 177.217 -1.290 1
1 1018 . 31 1 1 A 80 80 CYS CA C 80 64.044 61.892 2.152 1
1 1019 . 31 1 1 A 80 80 CYS CB C 80 25.626 27.132 -1.506 1
1 1020 . 31 1 1 A 80 80 CYS N N 80 117.746 118.681 -0.935 1
1 1021 . 31 1 1 A 81 81 MET H H 81 8.295 8.259 0.036 1
1 1022 . 31 1 1 A 81 81 MET HA H 81 4.023 4.145 -0.122 1
1 1030 . 31 1 1 A 81 81 MET C C 81 177.327 178.175 -0.848 1
1 1031 . 31 1 1 A 81 81 MET CA C 81 57.601 59.043 -1.442 1
1 1032 . 31 1 1 A 81 81 MET CB C 81 30.668 32.964 -2.296 1
1 1035 . 31 1 1 A 81 81 MET N N 81 117.598 119.163 -1.565 1
1 1036 . 31 1 1 A 82 82 ALA H H 82 7.624 8.122 -0.498 1
1 1037 . 31 1 1 A 82 82 ALA HA H 82 4.061 4.156 -0.095 1
1 1041 . 31 1 1 A 82 82 ALA C C 82 179.627 179.492 0.135 1
1 1042 . 31 1 1 A 82 82 ALA CA C 82 53.856 55.462 -1.606 1
1 1043 . 31 1 1 A 82 82 ALA CB C 82 16.794 18.486 -1.692 1
1 1044 . 31 1 1 A 82 82 ALA N N 82 121.886 121.352 0.534 1
1 1045 . 31 1 1 A 83 83 TYR H H 83 8.476 8.185 0.291 1
1 1046 . 31 1 1 A 83 83 TYR HA H 83 4.147 4.342 -0.195 1
1 1053 . 31 1 1 A 83 83 TYR C C 83 178.127 178.366 -0.239 1
1 1054 . 31 1 1 A 83 83 TYR CA C 83 60.066 61.325 -1.259 1
1 1055 . 31 1 1 A 83 83 TYR CB C 83 36.546 37.530 -0.984 1
1 1056 . 31 1 1 A 83 83 TYR N N 83 119.136 116.334 2.802 1
1 1057 . 31 1 1 A 84 84 ASN H H 84 8.386 8.444 -0.058 1
1 1058 . 31 1 1 A 84 84 ASN HA H 84 4.221 4.574 -0.353 1
1 1063 . 31 1 1 A 84 84 ASN C C 84 175.427 177.339 -1.912 1
1 1064 . 31 1 1 A 84 84 ASN CA C 84 56.123 56.594 -0.471 1
1 1065 . 31 1 1 A 84 84 ASN CB C 84 37.387 38.567 -1.180 1
1 1066 . 31 1 1 A 84 84 ASN N N 84 120.692 119.892 0.800 1
1 1068 . 31 1 1 A 85 85 ASP H H 85 7.611 7.772 -0.161 1
1 1069 . 31 1 1 A 85 85 ASP HA H 85 4.234 4.411 -0.177 1
1 1072 . 31 1 1 A 85 85 ASP C C 85 178.227 178.429 -0.202 1
1 1073 . 31 1 1 A 85 85 ASP CA C 85 56.752 57.323 -0.571 1
1 1074 . 31 1 1 A 85 85 ASP CB C 85 38.688 41.277 -2.589 1
1 1075 . 31 1 1 A 85 85 ASP N N 85 118.378 119.284 -0.906 1
1 1076 . 31 1 1 A 86 86 PHE H H 86 7.538 8.026 -0.488 1
1 1077 . 31 1 1 A 86 86 PHE HA H 86 4.291 4.117 0.174 1
1 1084 . 31 1 1 A 86 86 PHE C C 86 176.627 177.952 -1.325 1
1 1085 . 31 1 1 A 86 86 PHE CA C 86 58.743 61.527 -2.784 1
1 1086 . 31 1 1 A 86 86 PHE CB C 86 37.488 39.268 -1.780 1
1 1087 . 31 1 1 A 86 86 PHE N N 86 118.712 120.592 -1.880 1
1 1088 . 31 1 1 A 87 87 PHE H H 87 8.132 8.290 -0.158 1
1 1089 . 31 1 1 A 87 87 PHE HA H 87 3.906 4.106 -0.200 1
1 1096 . 31 1 1 A 87 87 PHE C C 87 176.627 177.201 -0.574 1
1 1097 . 31 1 1 A 87 87 PHE CA C 87 59.554 61.753 -2.199 1
1 1098 . 31 1 1 A 87 87 PHE CB C 87 38.017 39.421 -1.404 1
1 1099 . 31 1 1 A 87 87 PHE N N 87 121.649 119.215 2.434 1
1 1100 . 31 1 1 A 88 88 LEU H H 88 7.953 8.300 -0.347 1
1 1101 . 31 1 1 A 88 88 LEU HA H 88 3.775 4.148 -0.373 1
1 1111 . 31 1 1 A 88 88 LEU C C 88 177.627 178.115 -0.488 1
1 1112 . 31 1 1 A 88 88 LEU CA C 88 55.078 56.995 -1.917 1
1 1113 . 31 1 1 A 88 88 LEU CB C 88 41.226 41.594 -0.368 1
1 1117 . 31 1 1 A 88 88 LEU N N 88 118.897 119.108 -0.211 1
1 1118 . 31 1 1 A 89 89 GLU H H 89 7.475 7.833 -0.358 1
1 1119 . 31 1 1 A 89 89 GLU HA H 89 3.914 4.132 -0.218 1
1 1124 . 31 1 1 A 89 89 GLU C C 89 176.127 177.282 -1.155 1
1 1125 . 31 1 1 A 89 89 GLU CA C 89 56.926 58.235 -1.309 1
1 1126 . 31 1 1 A 89 89 GLU CB C 89 28.567 30.073 -1.506 1
1 1128 . 31 1 1 A 89 89 GLU N N 89 119.332 119.436 -0.104 1
1 1129 . 31 1 1 A 90 90 ASP H H 90 7.750 7.417 0.333 1
1 1130 . 31 1 1 A 90 90 ASP HA H 90 4.370 4.518 -0.148 1
1 1133 . 31 1 1 A 90 90 ASP C C 90 175.227 178.156 -2.929 1
1 1134 . 31 1 1 A 90 90 ASP CA C 90 53.593 56.124 -2.531 1
1 1135 . 31 1 1 A 90 90 ASP CB C 90 40.323 41.293 -0.970 1
1 1136 . 31 1 1 A 90 90 ASP N N 90 118.945 120.563 -1.618 1
1 1137 . 31 1 1 A 91 91 ASN H H 91 7.681 8.197 -0.516 1
1 1138 . 31 1 1 A 91 91 ASN HA H 91 4.495 4.319 0.176 1
1 1143 . 31 1 1 A 91 91 ASN C C 91 173.027 175.140 -2.113 1
1 1144 . 31 1 1 A 91 91 ASN CA C 91 52.041 53.413 -1.372 1
1 1145 . 31 1 1 A 91 91 ASN CB C 91 38.072 36.843 1.229 1
1 1146 . 31 1 1 A 91 91 ASN N N 91 118.171 113.778 4.393 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 88 1.344 1
2 1 1 1 "RMS(OBS, PRED)" CA 90 1.610 1
3 1 1 1 "RMS(OBS, PRED)" CB 87 1.569 1
4 1 1 1 "RMS(OBS, PRED)" H 89 0.609 1
5 1 1 1 "RMS(OBS, PRED)" HA 93 0.346 1
6 1 1 1 "RMS(OBS, PRED)" N 88 2.653 1
7 1 2 1 "RMS(OBS, PRED)" C 88 1.462 1
8 1 2 1 "RMS(OBS, PRED)" CA 90 1.778 1
9 1 2 1 "RMS(OBS, PRED)" CB 87 1.523 1
10 1 2 1 "RMS(OBS, PRED)" H 89 0.569 1
11 1 2 1 "RMS(OBS, PRED)" HA 93 0.299 1
12 1 2 1 "RMS(OBS, PRED)" N 88 2.932 1
13 1 3 1 "RMS(OBS, PRED)" C 88 1.318 1
14 1 3 1 "RMS(OBS, PRED)" CA 90 1.698 1
15 1 3 1 "RMS(OBS, PRED)" CB 87 1.766 1
16 1 3 1 "RMS(OBS, PRED)" H 89 0.586 1
17 1 3 1 "RMS(OBS, PRED)" HA 93 0.376 1
18 1 3 1 "RMS(OBS, PRED)" N 88 2.944 1
19 1 4 1 "RMS(OBS, PRED)" C 88 1.344 1
20 1 4 1 "RMS(OBS, PRED)" CA 90 1.700 1
21 1 4 1 "RMS(OBS, PRED)" CB 87 1.511 1
22 1 4 1 "RMS(OBS, PRED)" H 89 0.660 1
23 1 4 1 "RMS(OBS, PRED)" HA 93 0.364 1
24 1 4 1 "RMS(OBS, PRED)" N 88 2.703 1
25 1 5 1 "RMS(OBS, PRED)" C 88 1.376 1
26 1 5 1 "RMS(OBS, PRED)" CA 90 1.768 1
27 1 5 1 "RMS(OBS, PRED)" CB 87 1.473 1
28 1 5 1 "RMS(OBS, PRED)" H 89 0.550 1
29 1 5 1 "RMS(OBS, PRED)" HA 93 0.351 1
30 1 5 1 "RMS(OBS, PRED)" N 88 3.058 1
31 1 6 1 "RMS(OBS, PRED)" C 88 1.430 1
32 1 6 1 "RMS(OBS, PRED)" CA 90 1.753 1
33 1 6 1 "RMS(OBS, PRED)" CB 87 1.657 1
34 1 6 1 "RMS(OBS, PRED)" H 89 0.558 1
35 1 6 1 "RMS(OBS, PRED)" HA 93 0.351 1
36 1 6 1 "RMS(OBS, PRED)" N 88 2.686 1
37 1 7 1 "RMS(OBS, PRED)" C 88 1.240 1
38 1 7 1 "RMS(OBS, PRED)" CA 90 1.795 1
39 1 7 1 "RMS(OBS, PRED)" CB 87 1.481 1
40 1 7 1 "RMS(OBS, PRED)" H 89 0.582 1
41 1 7 1 "RMS(OBS, PRED)" HA 93 0.333 1
42 1 7 1 "RMS(OBS, PRED)" N 88 3.088 1
43 1 8 1 "RMS(OBS, PRED)" C 88 1.379 1
44 1 8 1 "RMS(OBS, PRED)" CA 90 1.763 1
45 1 8 1 "RMS(OBS, PRED)" CB 87 1.567 1
46 1 8 1 "RMS(OBS, PRED)" H 89 0.604 1
47 1 8 1 "RMS(OBS, PRED)" HA 93 0.350 1
48 1 8 1 "RMS(OBS, PRED)" N 88 2.830 1
49 1 9 1 "RMS(OBS, PRED)" C 88 1.345 1
50 1 9 1 "RMS(OBS, PRED)" CA 90 1.614 1
51 1 9 1 "RMS(OBS, PRED)" CB 87 1.645 1
52 1 9 1 "RMS(OBS, PRED)" H 89 0.589 1
53 1 9 1 "RMS(OBS, PRED)" HA 93 0.328 1
54 1 9 1 "RMS(OBS, PRED)" N 88 2.785 1
55 1 10 1 "RMS(OBS, PRED)" C 88 1.373 1
56 1 10 1 "RMS(OBS, PRED)" CA 90 1.778 1
57 1 10 1 "RMS(OBS, PRED)" CB 87 1.488 1
58 1 10 1 "RMS(OBS, PRED)" H 89 0.643 1
59 1 10 1 "RMS(OBS, PRED)" HA 93 0.351 1
60 1 10 1 "RMS(OBS, PRED)" N 88 2.903 1
61 1 11 1 "RMS(OBS, PRED)" C 88 1.337 1
62 1 11 1 "RMS(OBS, PRED)" CA 90 1.674 1
63 1 11 1 "RMS(OBS, PRED)" CB 87 1.660 1
64 1 11 1 "RMS(OBS, PRED)" H 89 0.609 1
65 1 11 1 "RMS(OBS, PRED)" HA 93 0.350 1
66 1 11 1 "RMS(OBS, PRED)" N 88 2.886 1
67 1 12 1 "RMS(OBS, PRED)" C 88 1.377 1
68 1 12 1 "RMS(OBS, PRED)" CA 90 1.560 1
69 1 12 1 "RMS(OBS, PRED)" CB 87 1.602 1
70 1 12 1 "RMS(OBS, PRED)" H 89 0.591 1
71 1 12 1 "RMS(OBS, PRED)" HA 93 0.320 1
72 1 12 1 "RMS(OBS, PRED)" N 88 2.776 1
73 1 13 1 "RMS(OBS, PRED)" C 88 1.337 1
74 1 13 1 "RMS(OBS, PRED)" CA 90 1.651 1
75 1 13 1 "RMS(OBS, PRED)" CB 87 1.591 1
76 1 13 1 "RMS(OBS, PRED)" H 89 0.688 1
77 1 13 1 "RMS(OBS, PRED)" HA 93 0.325 1
78 1 13 1 "RMS(OBS, PRED)" N 88 2.905 1
79 1 14 1 "RMS(OBS, PRED)" C 88 1.468 1
80 1 14 1 "RMS(OBS, PRED)" CA 90 1.768 1
81 1 14 1 "RMS(OBS, PRED)" CB 87 1.346 1
82 1 14 1 "RMS(OBS, PRED)" H 89 0.582 1
83 1 14 1 "RMS(OBS, PRED)" HA 93 0.358 1
84 1 14 1 "RMS(OBS, PRED)" N 88 2.847 1
85 1 15 1 "RMS(OBS, PRED)" C 88 1.402 1
86 1 15 1 "RMS(OBS, PRED)" CA 90 1.773 1
87 1 15 1 "RMS(OBS, PRED)" CB 87 1.574 1
88 1 15 1 "RMS(OBS, PRED)" H 89 0.631 1
89 1 15 1 "RMS(OBS, PRED)" HA 93 0.363 1
90 1 15 1 "RMS(OBS, PRED)" N 88 2.858 1
91 1 16 1 "RMS(OBS, PRED)" C 88 1.261 1
92 1 16 1 "RMS(OBS, PRED)" CA 90 1.593 1
93 1 16 1 "RMS(OBS, PRED)" CB 87 1.635 1
94 1 16 1 "RMS(OBS, PRED)" H 89 0.585 1
95 1 16 1 "RMS(OBS, PRED)" HA 93 0.342 1
96 1 16 1 "RMS(OBS, PRED)" N 88 2.969 1
97 1 17 1 "RMS(OBS, PRED)" C 88 1.298 1
98 1 17 1 "RMS(OBS, PRED)" CA 90 1.679 1
99 1 17 1 "RMS(OBS, PRED)" CB 87 1.607 1
100 1 17 1 "RMS(OBS, PRED)" H 89 0.594 1
101 1 17 1 "RMS(OBS, PRED)" HA 93 0.388 1
102 1 17 1 "RMS(OBS, PRED)" N 88 2.716 1
103 1 18 1 "RMS(OBS, PRED)" C 88 1.264 1
104 1 18 1 "RMS(OBS, PRED)" CA 90 1.632 1
105 1 18 1 "RMS(OBS, PRED)" CB 87 1.633 1
106 1 18 1 "RMS(OBS, PRED)" H 89 0.622 1
107 1 18 1 "RMS(OBS, PRED)" HA 93 0.324 1
108 1 18 1 "RMS(OBS, PRED)" N 88 2.840 1
109 1 19 1 "RMS(OBS, PRED)" C 88 1.347 1
110 1 19 1 "RMS(OBS, PRED)" CA 90 1.827 1
111 1 19 1 "RMS(OBS, PRED)" CB 87 1.640 1
112 1 19 1 "RMS(OBS, PRED)" H 89 0.643 1
113 1 19 1 "RMS(OBS, PRED)" HA 93 0.364 1
114 1 19 1 "RMS(OBS, PRED)" N 88 2.871 1
115 1 20 1 "RMS(OBS, PRED)" C 88 1.319 1
116 1 20 1 "RMS(OBS, PRED)" CA 90 1.834 1
117 1 20 1 "RMS(OBS, PRED)" CB 87 1.904 1
118 1 20 1 "RMS(OBS, PRED)" H 89 0.568 1
119 1 20 1 "RMS(OBS, PRED)" HA 93 0.426 1
120 1 20 1 "RMS(OBS, PRED)" N 88 2.956 1
121 1 21 1 "RMS(OBS, PRED)" C 88 1.328 1
122 1 21 1 "RMS(OBS, PRED)" CA 90 1.730 1
123 1 21 1 "RMS(OBS, PRED)" CB 87 1.642 1
124 1 21 1 "RMS(OBS, PRED)" H 89 0.606 1
125 1 21 1 "RMS(OBS, PRED)" HA 93 0.334 1
126 1 21 1 "RMS(OBS, PRED)" N 88 2.906 1
127 1 22 1 "RMS(OBS, PRED)" C 88 1.285 1
128 1 22 1 "RMS(OBS, PRED)" CA 90 1.585 1
129 1 22 1 "RMS(OBS, PRED)" CB 87 1.486 1
130 1 22 1 "RMS(OBS, PRED)" H 89 0.599 1
131 1 22 1 "RMS(OBS, PRED)" HA 93 0.328 1
132 1 22 1 "RMS(OBS, PRED)" N 88 2.788 1
133 1 23 1 "RMS(OBS, PRED)" C 88 1.289 1
134 1 23 1 "RMS(OBS, PRED)" CA 90 1.640 1
135 1 23 1 "RMS(OBS, PRED)" CB 87 1.483 1
136 1 23 1 "RMS(OBS, PRED)" H 89 0.628 1
137 1 23 1 "RMS(OBS, PRED)" HA 93 0.308 1
138 1 23 1 "RMS(OBS, PRED)" N 88 2.796 1
139 1 24 1 "RMS(OBS, PRED)" C 88 1.497 1
140 1 24 1 "RMS(OBS, PRED)" CA 90 1.968 1
141 1 24 1 "RMS(OBS, PRED)" CB 87 1.531 1
142 1 24 1 "RMS(OBS, PRED)" H 89 0.555 1
143 1 24 1 "RMS(OBS, PRED)" HA 93 0.320 1
144 1 24 1 "RMS(OBS, PRED)" N 88 3.105 1
145 1 25 1 "RMS(OBS, PRED)" C 88 1.381 1
146 1 25 1 "RMS(OBS, PRED)" CA 90 1.560 1
147 1 25 1 "RMS(OBS, PRED)" CB 87 1.398 1
148 1 25 1 "RMS(OBS, PRED)" H 89 0.626 1
149 1 25 1 "RMS(OBS, PRED)" HA 93 0.302 1
150 1 25 1 "RMS(OBS, PRED)" N 88 2.698 1
151 1 26 1 "RMS(OBS, PRED)" C 88 1.270 1
152 1 26 1 "RMS(OBS, PRED)" CA 90 1.669 1
153 1 26 1 "RMS(OBS, PRED)" CB 87 1.441 1
154 1 26 1 "RMS(OBS, PRED)" H 89 0.539 1
155 1 26 1 "RMS(OBS, PRED)" HA 93 0.325 1
156 1 26 1 "RMS(OBS, PRED)" N 88 2.795 1
157 1 27 1 "RMS(OBS, PRED)" C 88 1.441 1
158 1 27 1 "RMS(OBS, PRED)" CA 90 1.801 1
159 1 27 1 "RMS(OBS, PRED)" CB 87 1.586 1
160 1 27 1 "RMS(OBS, PRED)" H 89 0.585 1
161 1 27 1 "RMS(OBS, PRED)" HA 93 0.382 1
162 1 27 1 "RMS(OBS, PRED)" N 88 3.271 1
163 1 28 1 "RMS(OBS, PRED)" C 88 1.328 1
164 1 28 1 "RMS(OBS, PRED)" CA 90 1.703 1
165 1 28 1 "RMS(OBS, PRED)" CB 87 1.452 1
166 1 28 1 "RMS(OBS, PRED)" H 89 0.570 1
167 1 28 1 "RMS(OBS, PRED)" HA 93 0.344 1
168 1 28 1 "RMS(OBS, PRED)" N 88 2.681 1
169 1 29 1 "RMS(OBS, PRED)" C 88 1.352 1
170 1 29 1 "RMS(OBS, PRED)" CA 90 1.641 1
171 1 29 1 "RMS(OBS, PRED)" CB 87 1.659 1
172 1 29 1 "RMS(OBS, PRED)" H 89 0.585 1
173 1 29 1 "RMS(OBS, PRED)" HA 93 0.345 1
174 1 29 1 "RMS(OBS, PRED)" N 88 2.936 1
175 1 30 1 "RMS(OBS, PRED)" C 88 1.325 1
176 1 30 1 "RMS(OBS, PRED)" CA 90 1.677 1
177 1 30 1 "RMS(OBS, PRED)" CB 87 1.710 1
178 1 30 1 "RMS(OBS, PRED)" H 89 0.565 1
179 1 30 1 "RMS(OBS, PRED)" HA 93 0.315 1
180 1 30 1 "RMS(OBS, PRED)" N 88 2.882 1
181 1 31 1 "RMS(OBS, PRED)" C 88 1.275 1
182 1 31 1 "RMS(OBS, PRED)" CA 90 1.653 1
183 1 31 1 "RMS(OBS, PRED)" CB 87 1.554 1
184 1 31 1 "RMS(OBS, PRED)" H 89 0.535 1
185 1 31 1 "RMS(OBS, PRED)" HA 93 0.331 1
186 1 31 1 "RMS(OBS, PRED)" N 88 2.801 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 10 . 1 1 A 2 2 GLU H H 2 8.776 8.772 0.004 2
1 11 . 1 1 A 2 2 GLU HA H 2 4.535 4.609 -0.074 2
1 16 . 1 1 A 2 2 GLU C C 2 175.627 176.225 -0.598 2
1 17 . 1 1 A 2 2 GLU CA C 2 55.573 56.375 -0.802 2
1 18 . 1 1 A 2 2 GLU CB C 2 30.569 31.505 -0.936 2
1 20 . 1 1 A 2 2 GLU N N 2 124.305 122.023 2.282 2
1 21 . 1 1 A 3 3 THR H H 3 8.835 8.250 0.585 2
1 22 . 1 1 A 3 3 THR HA H 3 4.608 4.712 -0.104 2
1 27 . 1 1 A 3 3 THR CA C 3 59.187 59.574 -0.387 2
1 28 . 1 1 A 3 3 THR CB C 3 67.385 70.165 -2.780 2
1 30 . 1 1 A 3 3 THR N N 3 116.176 112.925 3.251 2
1 31 . 1 1 A 4 4 PRO HA H 4 4.158 4.434 -0.276 2
1 38 . 1 1 A 4 4 PRO C C 4 179.327 177.884 1.443 2
1 39 . 1 1 A 4 4 PRO CA C 4 65.040 64.716 0.324 2
1 40 . 1 1 A 4 4 PRO CB C 4 30.616 31.878 -1.262 2
1 43 . 1 1 A 5 5 LEU H H 5 8.794 7.567 1.227 2
1 44 . 1 1 A 5 5 LEU HA H 5 3.944 4.028 -0.084 2
1 54 . 1 1 A 5 5 LEU C C 5 177.327 178.371 -1.044 2
1 55 . 1 1 A 5 5 LEU CA C 5 56.920 57.329 -0.409 2
1 56 . 1 1 A 5 5 LEU CB C 5 41.139 41.908 -0.769 2
1 60 . 1 1 A 5 5 LEU N N 5 118.892 118.169 0.723 2
1 61 . 1 1 A 6 6 GLU H H 6 7.664 8.176 -0.512 2
1 62 . 1 1 A 6 6 GLU HA H 6 3.744 3.921 -0.177 2
1 67 . 1 1 A 6 6 GLU C C 6 178.827 179.391 -0.564 2
1 68 . 1 1 A 6 6 GLU CA C 6 59.347 59.803 -0.456 2
1 69 . 1 1 A 6 6 GLU CB C 6 28.700 29.260 -0.560 2
1 71 . 1 1 A 6 6 GLU N N 6 118.741 118.801 -0.060 2
1 72 . 1 1 A 7 7 LYS H H 7 8.435 8.004 0.431 2
1 73 . 1 1 A 7 7 LYS HA H 7 3.909 4.107 -0.198 2
1 82 . 1 1 A 7 7 LYS C C 7 178.527 178.941 -0.414 2
1 83 . 1 1 A 7 7 LYS CA C 7 58.539 59.028 -0.489 2
1 84 . 1 1 A 7 7 LYS CB C 7 31.217 32.125 -0.908 2
1 88 . 1 1 A 7 7 LYS N N 7 119.285 119.328 -0.043 2
1 89 . 1 1 A 8 8 ALA H H 8 8.008 7.918 0.090 2
1 90 . 1 1 A 8 8 ALA HA H 8 4.038 4.046 -0.008 2
1 94 . 1 1 A 8 8 ALA C C 8 178.327 180.076 -1.749 2
1 95 . 1 1 A 8 8 ALA CA C 8 54.356 55.000 -0.644 2
1 96 . 1 1 A 8 8 ALA CB C 8 17.509 18.409 -0.900 2
1 97 . 1 1 A 8 8 ALA N N 8 123.866 122.371 1.495 2
1 98 . 1 1 A 9 9 LEU H H 9 8.163 8.299 -0.136 2
1 99 . 1 1 A 9 9 LEU HA H 9 3.809 3.974 -0.165 2
1 109 . 1 1 A 9 9 LEU C C 9 178.527 179.267 -0.740 2
1 110 . 1 1 A 9 9 LEU CA C 9 57.256 57.966 -0.710 2
1 111 . 1 1 A 9 9 LEU CB C 9 40.483 41.692 -1.209 2
1 115 . 1 1 A 9 9 LEU N N 9 119.134 118.239 0.895 2
1 116 . 1 1 A 10 10 THR H H 10 8.186 8.180 0.006 2
1 117 . 1 1 A 10 10 THR HA H 10 3.741 3.980 -0.239 2
1 122 . 1 1 A 10 10 THR C C 10 176.727 176.727 0.000 2
1 123 . 1 1 A 10 10 THR CA C 10 66.345 66.461 -0.116 2
1 124 . 1 1 A 10 10 THR CB C 10 67.558 68.484 -0.926 2
1 126 . 1 1 A 10 10 THR N N 10 114.355 114.360 -0.005 2
1 127 . 1 1 A 11 11 THR H H 11 8.387 8.243 0.144 2
1 128 . 1 1 A 11 11 THR HA H 11 3.963 3.967 -0.004 2
1 133 . 1 1 A 11 11 THR C C 11 176.827 176.458 0.369 2
1 134 . 1 1 A 11 11 THR CA C 11 65.801 66.647 -0.846 2
1 135 . 1 1 A 11 11 THR CB C 11 67.140 68.298 -1.158 2
1 137 . 1 1 A 11 11 THR N N 11 120.801 116.609 4.192 2
1 138 . 1 1 A 12 12 MET H H 12 8.299 8.325 -0.026 2
1 139 . 1 1 A 12 12 MET HA H 12 3.872 4.259 -0.387 2
1 147 . 1 1 A 12 12 MET C C 12 177.827 178.481 -0.654 2
1 148 . 1 1 A 12 12 MET CA C 12 59.263 58.359 0.904 2
1 149 . 1 1 A 12 12 MET CB C 12 31.845 32.429 -0.584 2
1 152 . 1 1 A 12 12 MET N N 12 124.102 119.460 4.642 2
1 153 . 1 1 A 13 13 VAL H H 13 7.820 8.249 -0.429 2
1 154 . 1 1 A 13 13 VAL HA H 13 3.937 4.007 -0.070 2
1 162 . 1 1 A 13 13 VAL C C 13 177.127 178.216 -1.089 2
1 163 . 1 1 A 13 13 VAL CA C 13 65.677 65.968 -0.291 2
1 164 . 1 1 A 13 13 VAL CB C 13 31.656 31.502 0.154 2
1 167 . 1 1 A 13 13 VAL N N 13 119.838 118.487 1.351 2
1 168 . 1 1 A 14 14 THR H H 14 9.107 8.261 0.846 2
1 169 . 1 1 A 14 14 THR HA H 14 3.654 4.025 -0.371 2
1 174 . 1 1 A 14 14 THR C C 14 177.527 176.763 0.764 2
1 175 . 1 1 A 14 14 THR CA C 14 65.273 66.218 -0.945 2
1 176 . 1 1 A 14 14 THR CB C 14 67.652 68.752 -1.100 2
1 178 . 1 1 A 14 14 THR N N 14 112.247 116.804 -4.557 2
1 179 . 1 1 A 15 15 THR H H 15 8.189 8.228 -0.039 2
1 180 . 1 1 A 15 15 THR HA H 15 3.864 4.169 -0.305 2
1 186 . 1 1 A 15 15 THR C C 15 173.627 176.752 -3.125 2
1 187 . 1 1 A 15 15 THR CA C 15 66.930 65.715 1.215 2
1 188 . 1 1 A 15 15 THR CB C 15 66.539 68.369 -1.830 2
1 190 . 1 1 A 15 15 THR N N 15 117.691 112.966 4.725 2
1 191 . 1 1 A 16 16 PHE H H 16 6.850 8.268 -1.418 2
1 192 . 1 1 A 16 16 PHE HA H 16 3.417 4.104 -0.687 2
1 199 . 1 1 A 16 16 PHE C C 16 175.627 177.363 -1.736 2
1 200 . 1 1 A 16 16 PHE CA C 16 61.577 61.597 -0.020 2
1 201 . 1 1 A 16 16 PHE CB C 16 38.177 39.060 -0.883 2
1 202 . 1 1 A 16 16 PHE N N 16 120.169 123.479 -3.310 2
1 203 . 1 1 A 17 17 HIS H H 17 6.924 8.453 -1.529 2
1 204 . 1 1 A 17 17 HIS HA H 17 4.755 4.233 0.522 2
1 207 . 1 1 A 17 17 HIS C C 17 176.227 177.313 -1.086 2
1 208 . 1 1 A 17 17 HIS CA C 17 56.810 59.816 -3.006 2
1 209 . 1 1 A 17 17 HIS CB C 17 29.597 29.812 -0.215 2
1 210 . 1 1 A 17 17 HIS N N 17 115.499 117.547 -2.048 2
1 211 . 1 1 A 18 18 LYS H H 18 7.888 8.087 -0.199 2
1 212 . 1 1 A 18 18 LYS HA H 18 3.870 3.918 -0.048 2
1 221 . 1 1 A 18 18 LYS C C 18 176.927 178.294 -1.367 2
1 222 . 1 1 A 18 18 LYS CA C 18 57.897 59.072 -1.175 2
1 223 . 1 1 A 18 18 LYS CB C 18 31.582 32.184 -0.602 2
1 227 . 1 1 A 18 18 LYS N N 18 121.217 119.822 1.395 2
1 228 . 1 1 A 19 19 TYR H H 19 6.928 7.872 -0.944 2
1 229 . 1 1 A 19 19 TYR HA H 19 4.163 4.245 -0.082 2
1 234 . 1 1 A 19 19 TYR C C 19 175.027 178.030 -3.003 2
1 235 . 1 1 A 19 19 TYR CA C 19 59.335 60.431 -1.096 2
1 236 . 1 1 A 19 19 TYR CB C 19 39.515 38.419 1.096 2
1 237 . 1 1 A 19 19 TYR N N 19 114.488 118.606 -4.118 2
1 238 . 1 1 A 20 20 SER H H 20 8.021 8.424 -0.403 2
1 239 . 1 1 A 20 20 SER HA H 20 3.105 4.091 -0.986 2
1 242 . 1 1 A 20 20 SER C C 20 176.527 176.251 0.276 2
1 243 . 1 1 A 20 20 SER CA C 20 60.457 61.005 -0.548 2
1 244 . 1 1 A 20 20 SER CB C 20 60.326 62.404 -2.078 2
1 245 . 1 1 A 20 20 SER N N 20 112.624 115.664 -3.040 2
1 246 . 1 1 A 21 21 GLY H H 21 7.908 8.007 -0.099 2
1 247 . 1 1 A 21 21 GLY HA2 H 21 4.197 3.897 0.300 2
1 248 . 1 1 A 21 21 GLY HA3 H 21 3.761 3.939 -0.178 2
1 249 . 1 1 A 21 21 GLY C C 21 173.027 174.838 -1.811 2
1 250 . 1 1 A 21 21 GLY CA C 21 44.357 45.739 -1.382 2
1 251 . 1 1 A 21 21 GLY N N 21 112.095 108.142 3.953 2
1 252 . 1 1 A 22 22 ARG H H 22 7.470 7.649 -0.179 2
1 253 . 1 1 A 22 22 ARG HA H 22 3.956 4.237 -0.281 2
1 260 . 1 1 A 22 22 ARG C C 22 176.327 175.799 0.528 2
1 261 . 1 1 A 22 22 ARG CA C 22 58.189 56.961 1.228 2
1 262 . 1 1 A 22 22 ARG CB C 22 29.483 30.442 -0.959 2
1 265 . 1 1 A 22 22 ARG N N 22 122.481 120.377 2.104 2
1 266 . 1 1 A 23 23 GLU H H 23 9.412 8.154 1.258 2
1 267 . 1 1 A 23 23 GLU HA H 23 4.626 4.448 0.178 2
1 272 . 1 1 A 23 23 GLU C C 23 175.027 176.000 -0.973 2
1 273 . 1 1 A 23 23 GLU CA C 23 53.319 56.354 -3.035 2
1 274 . 1 1 A 23 23 GLU CB C 23 32.032 31.510 0.522 2
1 276 . 1 1 A 23 23 GLU N N 23 116.123 118.011 -1.888 2
1 277 . 1 1 A 24 24 GLY H H 24 9.080 8.626 0.454 2
1 278 . 1 1 A 24 24 GLY HA2 H 24 3.694 3.814 -0.120 2
1 279 . 1 1 A 24 24 GLY HA3 H 24 3.878 3.856 0.022 2
1 280 . 1 1 A 24 24 GLY C C 24 172.827 173.971 -1.144 2
1 281 . 1 1 A 24 24 GLY CA C 24 44.707 46.611 -1.904 2
1 282 . 1 1 A 24 24 GLY N N 24 114.015 111.269 2.746 2
1 283 . 1 1 A 25 25 SER H H 25 8.465 8.610 -0.145 2
1 284 . 1 1 A 25 25 SER HA H 25 4.312 4.530 -0.218 2
1 287 . 1 1 A 25 25 SER C C 25 178.027 174.744 3.283 2
1 288 . 1 1 A 25 25 SER CA C 25 57.478 58.514 -1.036 2
1 289 . 1 1 A 25 25 SER CB C 25 61.941 63.916 -1.975 2
1 290 . 1 1 A 25 25 SER N N 25 117.299 119.068 -1.769 2
1 291 . 1 1 A 26 26 LYS H H 26 9.532 8.693 0.839 2
1 292 . 1 1 A 26 26 LYS HA H 26 4.660 4.346 0.314 2
1 301 . 1 1 A 26 26 LYS C C 26 176.127 177.169 -1.042 2
1 302 . 1 1 A 26 26 LYS CA C 26 56.928 57.158 -0.230 2
1 303 . 1 1 A 26 26 LYS CB C 26 30.526 32.686 -2.160 2
1 307 . 1 1 A 26 26 LYS N N 26 131.209 124.421 6.788 2
1 308 . 1 1 A 27 27 LEU H H 27 8.643 7.931 0.712 2
1 309 . 1 1 A 27 27 LEU HA H 27 4.583 4.355 0.228 2
1 319 . 1 1 A 27 27 LEU C C 27 174.827 176.220 -1.393 2
1 320 . 1 1 A 27 27 LEU CA C 27 53.205 55.965 -2.760 2
1 321 . 1 1 A 27 27 LEU CB C 27 41.824 42.609 -0.785 2
1 325 . 1 1 A 27 27 LEU N N 27 118.729 119.470 -0.741 2
1 326 . 1 1 A 28 28 THR H H 28 7.037 7.520 -0.483 2
1 327 . 1 1 A 28 28 THR HA H 28 5.168 5.051 0.117 2
1 332 . 1 1 A 28 28 THR C C 28 172.727 173.183 -0.456 2
1 333 . 1 1 A 28 28 THR CA C 28 57.915 59.868 -1.953 2
1 334 . 1 1 A 28 28 THR CB C 28 71.934 71.514 0.420 2
1 336 . 1 1 A 28 28 THR N N 28 104.663 110.116 -5.453 2
1 337 . 1 1 A 29 29 LEU H H 29 9.517 8.863 0.654 2
1 338 . 1 1 A 29 29 LEU HA H 29 5.196 4.859 0.337 2
1 348 . 1 1 A 29 29 LEU C C 29 175.527 176.186 -0.659 2
1 349 . 1 1 A 29 29 LEU CA C 29 51.653 53.631 -1.978 2
1 350 . 1 1 A 29 29 LEU CB C 29 42.301 42.462 -0.161 2
1 354 . 1 1 A 29 29 LEU N N 29 125.388 124.215 1.173 2
1 355 . 1 1 A 30 30 SER H H 30 10.053 9.024 1.029 2
1 356 . 1 1 A 30 30 SER HA H 30 4.475 4.671 -0.196 2
1 359 . 1 1 A 30 30 SER C C 30 173.427 175.401 -1.974 2
1 360 . 1 1 A 30 30 SER CA C 30 55.011 58.041 -3.030 2
1 361 . 1 1 A 30 30 SER CB C 30 64.446 64.263 0.183 2
1 362 . 1 1 A 30 30 SER N N 30 121.114 120.343 0.771 2
1 363 . 1 1 A 31 31 ARG H H 31 8.992 8.837 0.155 2
1 364 . 1 1 A 31 31 ARG HA H 31 3.923 3.957 -0.034 2
1 371 . 1 1 A 31 31 ARG C C 31 177.027 177.764 -0.737 2
1 372 . 1 1 A 31 31 ARG CA C 31 59.408 59.499 -0.091 2
1 373 . 1 1 A 31 31 ARG CB C 31 29.041 30.040 -0.999 2
1 376 . 1 1 A 31 31 ARG N N 31 120.513 124.992 -4.479 2
1 377 . 1 1 A 32 32 LYS H H 32 7.845 7.942 -0.097 2
1 378 . 1 1 A 32 32 LYS HA H 32 3.826 4.126 -0.300 2
1 387 . 1 1 A 32 32 LYS C C 32 178.927 178.917 0.010 2
1 388 . 1 1 A 32 32 LYS CA C 32 58.677 58.771 -0.094 2
1 389 . 1 1 A 32 32 LYS CB C 32 31.964 32.417 -0.453 2
1 393 . 1 1 A 32 32 LYS N N 32 117.011 118.470 -1.459 2
1 394 . 1 1 A 33 33 GLU H H 33 7.612 8.056 -0.444 2
1 395 . 1 1 A 33 33 GLU HA H 33 3.954 4.074 -0.120 2
1 400 . 1 1 A 33 33 GLU C C 33 177.227 179.035 -1.808 2
1 401 . 1 1 A 33 33 GLU CA C 33 58.289 58.987 -0.698 2
1 402 . 1 1 A 33 33 GLU CB C 33 29.757 29.419 0.338 2
1 404 . 1 1 A 33 33 GLU N N 33 120.815 119.875 0.940 2
1 405 . 1 1 A 34 34 LEU H H 34 8.694 8.143 0.551 2
1 406 . 1 1 A 34 34 LEU HA H 34 3.811 3.968 -0.157 2
1 416 . 1 1 A 34 34 LEU C C 34 176.927 178.338 -1.411 2
1 417 . 1 1 A 34 34 LEU CA C 34 57.025 57.732 -0.707 2
1 418 . 1 1 A 34 34 LEU CB C 34 40.638 41.607 -0.969 2
1 422 . 1 1 A 34 34 LEU N N 34 119.291 121.368 -2.077 2
1 423 . 1 1 A 35 35 LYS H H 35 8.114 8.056 0.058 2
1 424 . 1 1 A 35 35 LYS HA H 35 3.569 3.875 -0.306 2
1 433 . 1 1 A 35 35 LYS C C 35 177.027 178.652 -1.625 2
1 434 . 1 1 A 35 35 LYS CA C 35 59.419 59.606 -0.187 2
1 435 . 1 1 A 35 35 LYS CB C 35 31.271 32.084 -0.813 2
1 439 . 1 1 A 35 35 LYS N N 35 117.277 118.719 -1.442 2
1 440 . 1 1 A 36 36 GLU H H 36 7.560 7.854 -0.294 2
1 441 . 1 1 A 36 36 GLU HA H 36 3.845 4.118 -0.273 2
1 446 . 1 1 A 36 36 GLU C C 36 175.827 178.504 -2.677 2
1 447 . 1 1 A 36 36 GLU CA C 36 58.190 58.746 -0.556 2
1 448 . 1 1 A 36 36 GLU CB C 36 28.253 29.524 -1.271 2
1 450 . 1 1 A 36 36 GLU N N 36 119.302 119.230 0.072 2
1 451 . 1 1 A 37 37 LEU H H 37 7.682 7.825 -0.143 2
1 452 . 1 1 A 37 37 LEU HA H 37 2.280 3.320 -1.040 2
1 462 . 1 1 A 37 37 LEU C C 37 178.327 178.359 -0.032 2
1 463 . 1 1 A 37 37 LEU CA C 37 58.225 57.895 0.330 2
1 464 . 1 1 A 37 37 LEU CB C 37 41.090 41.506 -0.416 2
1 468 . 1 1 A 37 37 LEU N N 37 121.690 120.557 1.133 2
1 469 . 1 1 A 38 38 ILE H H 38 8.157 8.058 0.099 2
1 470 . 1 1 A 38 38 ILE HA H 38 3.292 3.662 -0.370 2
1 480 . 1 1 A 38 38 ILE C C 38 177.027 178.181 -1.154 2
1 481 . 1 1 A 38 38 ILE CA C 38 65.007 65.601 -0.594 2
1 482 . 1 1 A 38 38 ILE CB C 38 37.187 37.830 -0.643 2
1 486 . 1 1 A 38 38 ILE N N 38 117.626 119.934 -2.308 2
1 487 . 1 1 A 39 39 LYS H H 39 8.068 7.873 0.195 2
1 488 . 1 1 A 39 39 LYS HA H 39 3.876 4.166 -0.290 2
1 497 . 1 1 A 39 39 LYS C C 39 177.927 178.026 -0.099 2
1 498 . 1 1 A 39 39 LYS CA C 39 58.204 58.648 -0.444 2
1 499 . 1 1 A 39 39 LYS CB C 39 31.731 32.098 -0.367 2
1 503 . 1 1 A 39 39 LYS N N 39 117.909 119.881 -1.972 2
1 504 . 1 1 A 40 40 LYS H H 40 8.094 7.789 0.305 2
1 505 . 1 1 A 40 40 LYS HA H 40 4.248 4.304 -0.056 2
1 514 . 1 1 A 40 40 LYS C C 40 178.227 178.464 -0.237 2
1 515 . 1 1 A 40 40 LYS CA C 40 56.291 57.911 -1.620 2
1 516 . 1 1 A 40 40 LYS CB C 40 32.652 33.188 -0.536 2
1 520 . 1 1 A 40 40 LYS N N 40 114.323 118.242 -3.919 2
1 521 . 1 1 A 41 41 GLU H H 41 8.381 8.196 0.185 2
1 522 . 1 1 A 41 41 GLU HA H 41 4.744 4.250 0.494 2
1 527 . 1 1 A 41 41 GLU C C 41 176.227 177.308 -1.081 2
1 528 . 1 1 A 41 41 GLU CA C 41 55.054 58.540 -3.486 2
1 529 . 1 1 A 41 41 GLU CB C 41 29.598 30.224 -0.626 2
1 531 . 1 1 A 41 41 GLU N N 41 113.079 118.967 -5.888 2
1 532 . 1 1 A 42 42 LEU H H 42 7.544 8.102 -0.558 2
1 533 . 1 1 A 42 42 LEU HA H 42 4.754 4.567 0.187 2
1 542 . 1 1 A 42 42 LEU CA C 42 52.564 54.416 -1.852 2
1 543 . 1 1 A 42 42 LEU CB C 42 43.848 41.900 1.948 2
1 546 . 1 1 A 42 42 LEU N N 42 118.458 119.385 -0.927 2
1 547 . 1 1 A 43 43 CYS H H 43 8.342 8.435 -0.093 2
1 548 . 1 1 A 43 43 CYS HA H 43 4.486 4.456 0.030 2
1 551 . 1 1 A 43 43 CYS C C 43 174.327 175.260 -0.933 2
1 552 . 1 1 A 43 43 CYS CA C 43 57.655 60.246 -2.591 2
1 553 . 1 1 A 43 43 CYS CB C 43 25.653 27.448 -1.795 2
1 554 . 1 1 A 44 44 LEU H H 44 8.123 7.765 0.358 2
1 555 . 1 1 A 44 44 LEU HA H 44 4.339 4.362 -0.023 2
1 565 . 1 1 A 44 44 LEU C C 44 176.927 177.500 -0.573 2
1 566 . 1 1 A 44 44 LEU CA C 44 53.750 55.327 -1.577 2
1 567 . 1 1 A 44 44 LEU CB C 44 40.784 42.511 -1.727 2
1 571 . 1 1 A 44 44 LEU N N 44 121.974 120.147 1.827 2
1 572 . 1 1 A 45 45 GLY H H 45 8.072 8.280 -0.208 2
1 573 . 1 1 A 45 45 GLY HA2 H 45 3.889 3.913 -0.024 2
1 574 . 1 1 A 45 45 GLY HA3 H 45 3.698 3.985 -0.287 2
1 575 . 1 1 A 45 45 GLY C C 45 173.127 174.657 -1.530 2
1 576 . 1 1 A 45 45 GLY CA C 45 44.291 45.664 -1.373 2
1 577 . 1 1 A 45 45 GLY N N 45 107.819 108.809 -0.990 2
1 578 . 1 1 A 46 46 GLU H H 46 8.472 8.196 0.276 2
1 579 . 1 1 A 46 46 GLU HA H 46 4.048 4.325 -0.277 2
1 584 . 1 1 A 46 46 GLU C C 46 175.727 176.506 -0.779 2
1 585 . 1 1 A 46 46 GLU CA C 46 56.461 57.182 -0.721 2
1 586 . 1 1 A 46 46 GLU CB C 46 28.208 29.552 -1.344 2
1 588 . 1 1 A 46 46 GLU N N 46 120.563 119.389 1.174 2
1 589 . 1 1 A 47 47 MET H H 47 8.189 8.207 -0.018 2
1 590 . 1 1 A 47 47 MET HA H 47 4.413 4.488 -0.075 2
1 598 . 1 1 A 47 47 MET C C 47 175.027 175.406 -0.379 2
1 599 . 1 1 A 47 47 MET CA C 47 53.905 55.172 -1.267 2
1 600 . 1 1 A 47 47 MET CB C 47 32.611 31.752 0.859 2
1 603 . 1 1 A 47 47 MET N N 47 123.201 119.812 3.389 2
1 604 . 1 1 A 48 48 LYS H H 48 8.355 8.151 0.204 2
1 605 . 1 1 A 48 48 LYS HA H 48 4.237 4.476 -0.239 2
1 614 . 1 1 A 48 48 LYS C C 48 177.027 177.545 -0.518 2
1 615 . 1 1 A 48 48 LYS CA C 48 55.443 55.623 -0.180 2
1 616 . 1 1 A 48 48 LYS CB C 48 32.173 33.703 -1.530 2
1 620 . 1 1 A 48 48 LYS N N 48 123.046 122.984 0.062 2
1 621 . 1 1 A 49 49 GLU H H 49 8.742 8.916 -0.174 2
1 622 . 1 1 A 49 49 GLU HA H 49 3.884 3.980 -0.096 2
1 627 . 1 1 A 49 49 GLU C C 49 177.727 178.301 -0.574 2
1 628 . 1 1 A 49 49 GLU CA C 49 58.534 59.841 -1.307 2
1 629 . 1 1 A 49 49 GLU CB C 49 27.870 29.353 -1.483 2
1 631 . 1 1 A 49 49 GLU N N 49 122.407 123.369 -0.962 2
1 632 . 1 1 A 50 50 SER H H 50 8.324 8.083 0.241 2
1 633 . 1 1 A 50 50 SER HA H 50 4.188 4.266 -0.078 2
1 636 . 1 1 A 50 50 SER C C 50 175.427 176.186 -0.759 2
1 637 . 1 1 A 50 50 SER CA C 50 59.402 60.799 -1.397 2
1 638 . 1 1 A 50 50 SER CB C 50 61.442 62.824 -1.382 2
1 639 . 1 1 A 50 50 SER N N 50 112.475 115.914 -3.439 2
1 640 . 1 1 A 51 51 SER H H 51 7.400 8.105 -0.705 2
1 641 . 1 1 A 51 51 SER HA H 51 3.926 4.378 -0.452 2
1 644 . 1 1 A 51 51 SER C C 51 176.027 176.032 -0.005 2
1 645 . 1 1 A 51 51 SER CA C 51 59.762 60.715 -0.953 2
1 646 . 1 1 A 51 51 SER CB C 51 60.955 63.497 -2.542 2
1 647 . 1 1 A 51 51 SER N N 51 118.432 115.950 2.482 2
1 648 . 1 1 A 52 52 ILE H H 52 7.790 7.964 -0.174 2
1 649 . 1 1 A 52 52 ILE HA H 52 3.642 3.749 -0.107 2
1 659 . 1 1 A 52 52 ILE C C 52 176.427 177.753 -1.326 2
1 660 . 1 1 A 52 52 ILE CA C 52 61.984 64.440 -2.456 2
1 661 . 1 1 A 52 52 ILE CB C 52 34.990 37.246 -2.256 2
1 665 . 1 1 A 52 52 ILE N N 52 123.838 121.387 2.451 2
1 666 . 1 1 A 53 53 ASP H H 53 8.092 8.142 -0.050 2
1 667 . 1 1 A 53 53 ASP HA H 53 4.225 4.350 -0.125 2
1 670 . 1 1 A 53 53 ASP C C 53 178.227 178.255 -0.028 2
1 671 . 1 1 A 53 53 ASP CA C 53 56.606 57.152 -0.546 2
1 672 . 1 1 A 53 53 ASP CB C 53 39.034 40.799 -1.765 2
1 673 . 1 1 A 53 53 ASP N N 53 121.313 121.629 -0.316 2
1 674 . 1 1 A 54 54 ASP H H 54 7.811 7.952 -0.141 2
1 675 . 1 1 A 54 54 ASP HA H 54 4.253 4.403 -0.150 2
1 678 . 1 1 A 54 54 ASP C C 54 177.927 178.334 -0.407 2
1 679 . 1 1 A 54 54 ASP CA C 54 56.467 57.054 -0.587 2
1 680 . 1 1 A 54 54 ASP CB C 54 39.401 40.930 -1.529 2
1 681 . 1 1 A 54 54 ASP N N 54 120.122 119.391 0.731 2
1 682 . 1 1 A 55 55 LEU H H 55 7.789 7.928 -0.139 2
1 683 . 1 1 A 55 55 LEU HA H 55 3.979 4.051 -0.072 2
1 693 . 1 1 A 55 55 LEU C C 55 178.027 178.484 -0.457 2
1 694 . 1 1 A 55 55 LEU CA C 55 56.713 58.108 -1.395 2
1 695 . 1 1 A 55 55 LEU CB C 55 40.799 41.444 -0.645 2
1 699 . 1 1 A 55 55 LEU N N 55 122.944 120.781 2.163 2
1 700 . 1 1 A 56 56 MET H H 56 8.601 8.604 -0.003 2
1 701 . 1 1 A 56 56 MET HA H 56 3.827 4.032 -0.205 2
1 709 . 1 1 A 56 56 MET C C 56 177.027 178.210 -1.183 2
1 710 . 1 1 A 56 56 MET CA C 56 57.116 58.537 -1.421 2
1 711 . 1 1 A 56 56 MET CB C 56 29.825 32.029 -2.204 2
1 714 . 1 1 A 56 56 MET N N 56 117.863 118.675 -0.812 2
1 715 . 1 1 A 57 57 LYS H H 57 7.693 7.950 -0.257 2
1 716 . 1 1 A 57 57 LYS HA H 57 3.954 4.094 -0.140 2
1 725 . 1 1 A 57 57 LYS C C 57 178.127 178.467 -0.340 2
1 726 . 1 1 A 57 57 LYS CA C 57 58.352 58.914 -0.562 2
1 727 . 1 1 A 57 57 LYS CB C 57 31.315 32.070 -0.755 2
1 731 . 1 1 A 57 57 LYS N N 57 116.455 120.176 -3.721 2
1 732 . 1 1 A 58 58 SER H H 58 7.661 7.942 -0.281 2
1 733 . 1 1 A 58 58 SER HA H 58 4.115 4.344 -0.229 2
1 736 . 1 1 A 58 58 SER C C 58 174.827 176.694 -1.867 2
1 737 . 1 1 A 58 58 SER CA C 58 59.986 61.094 -1.108 2
1 738 . 1 1 A 58 58 SER CB C 58 62.464 63.188 -0.724 2
1 739 . 1 1 A 58 58 SER N N 58 113.020 115.543 -2.523 2
1 740 . 1 1 A 59 59 LEU H H 59 7.917 7.864 0.053 2
1 741 . 1 1 A 59 59 LEU HA H 59 4.269 4.173 0.096 2
1 751 . 1 1 A 59 59 LEU C C 59 177.627 177.636 -0.009 2
1 752 . 1 1 A 59 59 LEU CA C 59 54.402 57.460 -3.058 2
1 753 . 1 1 A 59 59 LEU CB C 59 43.731 42.084 1.647 2
1 757 . 1 1 A 59 59 LEU N N 59 117.463 119.962 -2.499 2
1 758 . 1 1 A 60 60 ASP H H 60 8.025 8.105 -0.080 2
1 759 . 1 1 A 60 60 ASP HA H 60 4.566 4.735 -0.169 2
1 762 . 1 1 A 60 60 ASP C C 60 176.627 176.540 0.087 2
1 763 . 1 1 A 60 60 ASP CA C 60 52.335 53.583 -1.248 2
1 764 . 1 1 A 60 60 ASP CB C 60 38.139 40.500 -2.361 2
1 765 . 1 1 A 60 60 ASP N N 60 117.588 118.158 -0.570 2
1 766 . 1 1 A 61 61 LYS H H 61 8.100 8.547 -0.447 2
1 767 . 1 1 A 61 61 LYS HA H 61 4.035 4.267 -0.232 2
1 776 . 1 1 A 61 61 LYS C C 61 176.727 177.709 -0.982 2
1 777 . 1 1 A 61 61 LYS CA C 61 56.887 57.890 -1.003 2
1 778 . 1 1 A 61 61 LYS CB C 61 31.653 32.677 -1.024 2
1 782 . 1 1 A 61 61 LYS N N 61 126.943 125.418 1.525 2
1 783 . 1 1 A 62 62 ASN H H 62 7.864 7.916 -0.052 2
1 784 . 1 1 A 62 62 ASN HA H 62 4.759 4.773 -0.014 2
1 789 . 1 1 A 62 62 ASN C C 62 173.727 175.410 -1.683 2
1 790 . 1 1 A 62 62 ASN CA C 62 50.660 52.934 -2.274 2
1 791 . 1 1 A 62 62 ASN CB C 62 35.920 39.098 -3.178 2
1 792 . 1 1 A 62 62 ASN N N 62 113.588 114.890 -1.302 2
1 794 . 1 1 A 63 63 SER H H 63 7.613 8.288 -0.675 2
1 795 . 1 1 A 63 63 SER HA H 63 3.962 4.283 -0.321 2
1 798 . 1 1 A 63 63 SER C C 63 172.927 174.169 -1.242 2
1 799 . 1 1 A 63 63 SER CA C 63 58.262 59.203 -0.941 2
1 800 . 1 1 A 63 63 SER CB C 63 60.708 61.983 -1.275 2
1 801 . 1 1 A 63 63 SER N N 63 111.592 113.183 -1.591 2
1 802 . 1 1 A 64 64 ASP H H 64 8.217 8.129 0.088 2
1 803 . 1 1 A 64 64 ASP HA H 64 4.653 4.667 -0.014 2
1 806 . 1 1 A 64 64 ASP C C 64 175.927 176.368 -0.441 2
1 807 . 1 1 A 64 64 ASP CA C 64 51.641 53.744 -2.103 2
1 808 . 1 1 A 64 64 ASP CB C 64 39.385 41.069 -1.684 2
1 809 . 1 1 A 64 64 ASP N N 64 118.913 119.918 -1.005 2
1 810 . 1 1 A 65 65 GLN H H 65 10.239 8.053 2.186 2
1 811 . 1 1 A 65 65 GLN HA H 65 3.356 4.142 -0.786 2
1 818 . 1 1 A 65 65 GLN C C 65 172.627 174.648 -2.021 2
1 819 . 1 1 A 65 65 GLN CA C 65 56.325 56.858 -0.533 2
1 820 . 1 1 A 65 65 GLN CB C 65 24.910 28.344 -3.434 2
1 822 . 1 1 A 65 65 GLN N N 65 114.908 116.540 -1.632 2
1 824 . 1 1 A 66 66 GLU H H 66 7.710 8.025 -0.315 2
1 825 . 1 1 A 66 66 GLU HA H 66 4.691 4.834 -0.143 2
1 830 . 1 1 A 66 66 GLU C C 66 174.127 175.267 -1.140 2
1 831 . 1 1 A 66 66 GLU CA C 66 52.987 55.040 -2.053 2
1 832 . 1 1 A 66 66 GLU CB C 66 32.433 32.214 0.219 2
1 834 . 1 1 A 66 66 GLU N N 66 115.721 118.404 -2.683 2
1 835 . 1 1 A 67 67 ILE H H 67 9.938 9.017 0.921 2
1 836 . 1 1 A 67 67 ILE HA H 67 5.291 4.750 0.541 2
1 846 . 1 1 A 67 67 ILE C C 67 175.627 175.337 0.290 2
1 847 . 1 1 A 67 67 ILE CA C 67 56.241 60.606 -4.365 2
1 848 . 1 1 A 67 67 ILE CB C 67 35.492 38.323 -2.831 2
1 852 . 1 1 A 67 67 ILE N N 67 125.901 124.744 1.157 2
1 853 . 1 1 A 68 68 ASP H H 68 8.794 8.847 -0.053 2
1 854 . 1 1 A 68 68 ASP HA H 68 5.002 4.829 0.173 2
1 857 . 1 1 A 68 68 ASP C C 68 174.427 177.452 -3.025 2
1 858 . 1 1 A 68 68 ASP CA C 68 51.563 54.229 -2.666 2
1 859 . 1 1 A 68 68 ASP CB C 68 40.493 42.325 -1.832 2
1 860 . 1 1 A 68 68 ASP N N 68 127.844 128.441 -0.597 2
1 861 . 1 1 A 69 69 PHE H H 69 9.068 9.150 -0.082 2
1 862 . 1 1 A 69 69 PHE HA H 69 3.130 4.040 -0.910 2
1 869 . 1 1 A 69 69 PHE C C 69 176.827 177.592 -0.765 2
1 870 . 1 1 A 69 69 PHE CA C 69 62.478 61.799 0.679 2
1 871 . 1 1 A 69 69 PHE CB C 69 38.096 39.329 -1.233 2
1 872 . 1 1 A 69 69 PHE N N 69 118.955 125.166 -6.211 2
1 873 . 1 1 A 70 70 LYS H H 70 8.123 8.309 -0.186 2
1 874 . 1 1 A 70 70 LYS HA H 70 3.871 4.168 -0.297 2
1 883 . 1 1 A 70 70 LYS C C 70 179.527 179.095 0.432 2
1 884 . 1 1 A 70 70 LYS CA C 70 59.457 58.808 0.649 2
1 885 . 1 1 A 70 70 LYS CB C 70 30.772 32.028 -1.256 2
1 889 . 1 1 A 70 70 LYS N N 70 120.287 118.222 2.065 2
1 890 . 1 1 A 71 71 GLU H H 71 8.746 8.112 0.634 2
1 891 . 1 1 A 71 71 GLU HA H 71 4.099 4.150 -0.051 2
1 896 . 1 1 A 71 71 GLU C C 71 179.127 178.865 0.262 2
1 897 . 1 1 A 71 71 GLU CA C 71 57.934 59.015 -1.081 2
1 898 . 1 1 A 71 71 GLU CB C 71 29.266 29.939 -0.673 2
1 900 . 1 1 A 71 71 GLU N N 71 122.207 119.500 2.707 2
1 901 . 1 1 A 72 72 TYR H H 72 8.879 8.573 0.306 2
1 902 . 1 1 A 72 72 TYR HA H 72 4.010 4.211 -0.201 2
1 909 . 1 1 A 72 72 TYR C C 72 175.927 178.013 -2.086 2
1 910 . 1 1 A 72 72 TYR CA C 72 58.551 61.704 -3.153 2
1 911 . 1 1 A 72 72 TYR CB C 72 38.072 38.671 -0.599 2
1 912 . 1 1 A 72 72 TYR N N 72 121.813 122.307 -0.494 2
1 913 . 1 1 A 73 73 SER H H 73 8.414 8.235 0.179 2
1 914 . 1 1 A 73 73 SER HA H 73 3.462 4.144 -0.682 2
1 917 . 1 1 A 73 73 SER C C 73 175.127 176.377 -1.250 2
1 918 . 1 1 A 73 73 SER CA C 73 61.876 61.520 0.356 2
1 919 . 1 1 A 73 73 SER CB C 73 61.327 63.052 -1.725 2
1 920 . 1 1 A 73 73 SER N N 73 117.840 115.244 2.596 2
1 921 . 1 1 A 74 74 VAL H H 74 7.363 8.102 -0.739 2
1 922 . 1 1 A 74 74 VAL HA H 74 3.584 3.743 -0.159 2
1 930 . 1 1 A 74 74 VAL C C 74 178.027 178.068 -0.041 2
1 931 . 1 1 A 74 74 VAL CA C 74 65.397 65.705 -0.308 2
1 932 . 1 1 A 74 74 VAL CB C 74 30.300 31.481 -1.181 2
1 935 . 1 1 A 74 74 VAL N N 74 123.439 120.869 2.570 2
1 936 . 1 1 A 75 75 PHE H H 75 7.282 8.139 -0.857 2
1 937 . 1 1 A 75 75 PHE HA H 75 4.562 4.067 0.495 2
1 945 . 1 1 A 75 75 PHE C C 75 176.127 176.990 -0.863 2
1 946 . 1 1 A 75 75 PHE CA C 75 57.851 61.140 -3.289 2
1 947 . 1 1 A 75 75 PHE CB C 75 36.863 38.980 -2.117 2
1 948 . 1 1 A 75 75 PHE N N 75 122.766 122.200 0.566 2
1 949 . 1 1 A 76 76 LEU H H 76 7.823 8.111 -0.288 2
1 950 . 1 1 A 76 76 LEU HA H 76 3.445 3.549 -0.104 2
1 960 . 1 1 A 76 76 LEU C C 76 178.927 179.185 -0.258 2
1 961 . 1 1 A 76 76 LEU CA C 76 56.891 57.681 -0.790 2
1 962 . 1 1 A 76 76 LEU CB C 76 39.917 41.171 -1.254 2
1 966 . 1 1 A 76 76 LEU N N 76 115.619 118.959 -3.340 2
1 967 . 1 1 A 77 77 THR H H 77 7.858 7.950 -0.092 2
1 968 . 1 1 A 77 77 THR HA H 77 3.665 3.786 -0.121 2
1 974 . 1 1 A 77 77 THR C C 77 175.427 176.679 -1.252 2
1 975 . 1 1 A 77 77 THR CA C 77 66.127 66.691 -0.564 2
1 976 . 1 1 A 77 77 THR CB C 77 67.585 68.333 -0.748 2
1 978 . 1 1 A 77 77 THR N N 77 113.417 115.424 -2.007 2
1 979 . 1 1 A 78 78 MET H H 78 7.970 8.184 -0.214 2
1 980 . 1 1 A 78 78 MET HA H 78 3.935 4.039 -0.104 2
1 988 . 1 1 A 78 78 MET C C 78 179.127 178.808 0.319 2
1 989 . 1 1 A 78 78 MET CA C 78 58.780 58.695 0.085 2
1 990 . 1 1 A 78 78 MET CB C 78 31.501 32.540 -1.039 2
1 993 . 1 1 A 78 78 MET N N 78 122.745 118.624 4.121 2
1 994 . 1 1 A 79 79 LEU H H 79 7.898 8.088 -0.190 2
1 995 . 1 1 A 79 79 LEU HA H 79 3.870 3.955 -0.085 2
1 1005 . 1 1 A 79 79 LEU C C 79 178.427 178.837 -0.410 2
1 1006 . 1 1 A 79 79 LEU CA C 79 56.843 57.840 -0.997 2
1 1007 . 1 1 A 79 79 LEU CB C 79 41.099 41.364 -0.265 2
1 1011 . 1 1 A 79 79 LEU N N 79 120.989 119.902 1.087 2
1 1012 . 1 1 A 80 80 CYS H H 80 8.400 8.404 -0.004 2
1 1013 . 1 1 A 80 80 CYS HA H 80 3.830 4.164 -0.334 2
1 1017 . 1 1 A 80 80 CYS C C 80 175.927 177.426 -1.499 2
1 1018 . 1 1 A 80 80 CYS CA C 80 64.044 62.567 1.477 2
1 1019 . 1 1 A 80 80 CYS CB C 80 25.626 26.873 -1.247 2
1 1020 . 1 1 A 80 80 CYS N N 80 117.746 117.854 -0.108 2
1 1021 . 1 1 A 81 81 MET H H 81 8.295 8.410 -0.115 2
1 1022 . 1 1 A 81 81 MET HA H 81 4.023 4.190 -0.167 2
1 1030 . 1 1 A 81 81 MET C C 81 177.327 178.144 -0.817 2
1 1031 . 1 1 A 81 81 MET CA C 81 57.601 58.895 -1.294 2
1 1032 . 1 1 A 81 81 MET CB C 81 30.668 32.708 -2.040 2
1 1035 . 1 1 A 81 81 MET N N 81 117.598 119.440 -1.842 2
1 1036 . 1 1 A 82 82 ALA H H 82 7.624 7.929 -0.305 2
1 1037 . 1 1 A 82 82 ALA HA H 82 4.061 4.087 -0.026 2
1 1041 . 1 1 A 82 82 ALA C C 82 179.627 179.552 0.075 2
1 1042 . 1 1 A 82 82 ALA CA C 82 53.856 55.324 -1.468 2
1 1043 . 1 1 A 82 82 ALA CB C 82 16.794 18.496 -1.702 2
1 1044 . 1 1 A 82 82 ALA N N 82 121.886 121.426 0.460 2
1 1045 . 1 1 A 83 83 TYR H H 83 8.476 8.036 0.440 2
1 1046 . 1 1 A 83 83 TYR HA H 83 4.147 4.368 -0.221 2
1 1053 . 1 1 A 83 83 TYR C C 83 178.127 178.239 -0.112 2
1 1054 . 1 1 A 83 83 TYR CA C 83 60.066 61.535 -1.469 2
1 1055 . 1 1 A 83 83 TYR CB C 83 36.546 37.505 -0.959 2
1 1056 . 1 1 A 83 83 TYR N N 83 119.136 116.489 2.647 2
1 1057 . 1 1 A 84 84 ASN H H 84 8.386 8.289 0.097 2
1 1058 . 1 1 A 84 84 ASN HA H 84 4.221 4.487 -0.266 2
1 1063 . 1 1 A 84 84 ASN C C 84 175.427 177.467 -2.040 2
1 1064 . 1 1 A 84 84 ASN CA C 84 56.123 56.793 -0.670 2
1 1065 . 1 1 A 84 84 ASN CB C 84 37.387 38.954 -1.567 2
1 1066 . 1 1 A 84 84 ASN N N 84 120.692 119.571 1.121 2
1 1068 . 1 1 A 85 85 ASP H H 85 7.611 7.848 -0.237 2
1 1069 . 1 1 A 85 85 ASP HA H 85 4.234 4.440 -0.206 2
1 1072 . 1 1 A 85 85 ASP C C 85 178.227 178.499 -0.272 2
1 1073 . 1 1 A 85 85 ASP CA C 85 56.752 57.236 -0.484 2
1 1074 . 1 1 A 85 85 ASP CB C 85 38.688 40.946 -2.258 2
1 1075 . 1 1 A 85 85 ASP N N 85 118.378 119.173 -0.795 2
1 1076 . 1 1 A 86 86 PHE H H 86 7.538 8.176 -0.638 2
1 1077 . 1 1 A 86 86 PHE HA H 86 4.291 4.218 0.073 2
1 1084 . 1 1 A 86 86 PHE C C 86 176.627 177.648 -1.021 2
1 1085 . 1 1 A 86 86 PHE CA C 86 58.743 61.451 -2.708 2
1 1086 . 1 1 A 86 86 PHE CB C 86 37.488 39.006 -1.518 2
1 1087 . 1 1 A 86 86 PHE N N 86 118.712 121.111 -2.399 2
1 1088 . 1 1 A 87 87 PHE H H 87 8.132 8.306 -0.174 2
1 1089 . 1 1 A 87 87 PHE HA H 87 3.906 4.182 -0.276 2
1 1096 . 1 1 A 87 87 PHE C C 87 176.627 177.177 -0.550 2
1 1097 . 1 1 A 87 87 PHE CA C 87 59.554 61.493 -1.939 2
1 1098 . 1 1 A 87 87 PHE CB C 87 38.017 39.454 -1.437 2
1 1099 . 1 1 A 87 87 PHE N N 87 121.649 119.839 1.810 2
1 1100 . 1 1 A 88 88 LEU H H 88 7.953 7.901 0.052 2
1 1101 . 1 1 A 88 88 LEU HA H 88 3.775 4.080 -0.305 2
1 1111 . 1 1 A 88 88 LEU C C 88 177.627 178.058 -0.431 2
1 1112 . 1 1 A 88 88 LEU CA C 88 55.078 56.797 -1.719 2
1 1113 . 1 1 A 88 88 LEU CB C 88 41.226 41.736 -0.510 2
1 1117 . 1 1 A 88 88 LEU N N 88 118.897 119.013 -0.116 2
1 1118 . 1 1 A 89 89 GLU H H 89 7.475 7.913 -0.438 2
1 1119 . 1 1 A 89 89 GLU HA H 89 3.914 4.250 -0.336 2
1 1124 . 1 1 A 89 89 GLU C C 89 176.127 177.475 -1.348 2
1 1125 . 1 1 A 89 89 GLU CA C 89 56.926 57.663 -0.737 2
1 1126 . 1 1 A 89 89 GLU CB C 89 28.567 29.912 -1.345 2
1 1128 . 1 1 A 89 89 GLU N N 89 119.332 118.924 0.408 2
1 1129 . 1 1 A 90 90 ASP H H 90 7.750 8.053 -0.303 2
1 1130 . 1 1 A 90 90 ASP HA H 90 4.370 4.602 -0.232 2
1 1133 . 1 1 A 90 90 ASP C C 90 175.227 177.535 -2.308 2
1 1134 . 1 1 A 90 90 ASP CA C 90 53.593 56.132 -2.539 2
1 1135 . 1 1 A 90 90 ASP CB C 90 40.323 41.454 -1.131 2
1 1136 . 1 1 A 90 90 ASP N N 90 118.945 120.151 -1.206 2
1 1137 . 1 1 A 91 91 ASN H H 91 7.681 7.637 0.044 2
1 1138 . 1 1 A 91 91 ASN HA H 91 4.495 4.722 -0.227 2
1 1143 . 1 1 A 91 91 ASN C C 91 173.027 175.091 -2.064 2
1 1144 . 1 1 A 91 91 ASN CA C 91 52.041 53.060 -1.019 2
1 1145 . 1 1 A 91 91 ASN CB C 91 38.072 37.769 0.303 2
1 1146 . 1 1 A 91 91 ASN N N 91 118.171 115.776 2.395 2
stop_
save_