data_10149_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10149
_Entry.PDB_ID 2E9K
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 6 6 SER CA C 6 58.867 57.009 1.858 1
1 2 . 1 1 1 A 6 6 SER HA H 6 4.432 5.085 -0.653 1
1 3 . 1 1 1 A 6 6 SER CB C 6 63.603 66.297 -2.694 1
1 6 . 1 1 1 A 6 6 SER C C 6 175.018 173.151 1.867 1
1 7 . 1 1 1 A 7 7 GLY N N 7 110.530 109.267 1.263 1
1 8 . 1 1 1 A 7 7 GLY H H 7 8.382 8.257 0.125 1
1 9 . 1 1 1 A 7 7 GLY CA C 7 45.311 45.468 -0.157 1
1 10 . 1 1 1 A 7 7 GLY HA2 H 7 3.922 3.991 -0.069 1
1 11 . 1 1 1 A 7 7 GLY HA3 H 7 3.922 3.992 -0.070 1
1 12 . 1 1 1 A 7 7 GLY C C 7 173.740 173.167 0.573 1
1 13 . 1 1 1 A 8 8 ASP N N 8 120.471 121.933 -1.462 1
1 14 . 1 1 1 A 8 8 ASP H H 8 8.121 8.072 0.049 1
1 15 . 1 1 1 A 8 8 ASP CA C 8 54.214 52.733 1.481 1
1 16 . 1 1 1 A 8 8 ASP HA H 8 4.560 5.077 -0.517 1
1 17 . 1 1 1 A 8 8 ASP CB C 8 41.172 44.180 -3.008 1
1 20 . 1 1 1 A 8 8 ASP C C 8 176.082 174.432 1.650 1
1 21 . 1 1 1 A 9 9 ILE N N 9 121.785 125.929 -4.144 1
1 22 . 1 1 1 A 9 9 ILE H H 9 8.115 8.900 -0.785 1
1 23 . 1 1 1 A 9 9 ILE CA C 9 60.327 60.324 0.003 1
1 24 . 1 1 1 A 9 9 ILE HA H 9 4.083 4.585 -0.502 1
1 25 . 1 1 1 A 9 9 ILE CB C 9 38.394 39.413 -1.019 1
1 38 . 1 1 1 A 9 9 ILE C C 9 175.579 176.210 -0.631 1
1 39 . 1 1 1 A 10 10 ARG N N 10 125.977 125.259 0.718 1
1 40 . 1 1 1 A 10 10 ARG H H 10 8.319 8.924 -0.605 1
1 41 . 1 1 1 A 10 10 ARG CA C 10 54.661 61.160 -6.499 1
1 42 . 1 1 1 A 10 10 ARG HA H 10 4.493 4.017 0.476 1
1 43 . 1 1 1 A 10 10 ARG CB C 10 29.730 29.537 0.193 1
1 52 . 1 1 1 A 10 10 ARG C C 10 175.511 176.569 -1.058 1
1 53 . 1 1 1 A 11 11 PRO CA C 11 65.595 64.258 1.337 1
1 54 . 1 1 1 A 11 11 PRO HA H 11 4.064 4.366 -0.302 1
1 55 . 1 1 1 A 11 11 PRO CB C 11 31.690 31.965 -0.275 1
1 64 . 1 1 1 A 12 12 SER CA C 12 60.656 61.837 -1.181 1
1 65 . 1 1 1 A 12 12 SER HA H 12 4.194 4.096 0.098 1
1 66 . 1 1 1 A 12 12 SER CB C 12 62.321 63.075 -0.754 1
1 69 . 1 1 1 A 13 13 LYS H H 13 7.510 7.887 -0.377 1
1 70 . 1 1 1 A 13 13 LYS CA C 13 58.585 59.418 -0.833 1
1 71 . 1 1 1 A 13 13 LYS HA H 13 4.186 4.146 0.040 1
1 72 . 1 1 1 A 13 13 LYS CB C 13 32.274 32.201 0.073 1
1 84 . 1 1 1 A 13 13 LYS C C 13 179.028 178.497 0.531 1
1 85 . 1 1 1 A 14 14 LEU N N 14 121.315 120.811 0.504 1
1 86 . 1 1 1 A 14 14 LEU H H 14 7.968 8.153 -0.185 1
1 87 . 1 1 1 A 14 14 LEU CA C 14 57.648 58.441 -0.793 1
1 88 . 1 1 1 A 14 14 LEU HA H 14 3.889 3.903 -0.014 1
1 89 . 1 1 1 A 14 14 LEU CB C 14 42.171 41.664 0.507 1
1 102 . 1 1 1 A 14 14 LEU C C 14 178.689 178.564 0.125 1
1 103 . 1 1 1 A 15 15 LEU N N 15 120.526 119.774 0.752 1
1 104 . 1 1 1 A 15 15 LEU H H 15 8.546 8.577 -0.031 1
1 105 . 1 1 1 A 15 15 LEU CA C 15 59.227 58.834 0.393 1
1 106 . 1 1 1 A 15 15 LEU HA H 15 4.038 4.064 -0.026 1
1 107 . 1 1 1 A 15 15 LEU CB C 15 40.993 41.885 -0.892 1
1 120 . 1 1 1 A 15 15 LEU C C 15 178.020 178.649 -0.629 1
1 121 . 1 1 1 A 16 16 THR N N 16 114.667 113.399 1.268 1
1 122 . 1 1 1 A 16 16 THR H H 16 7.945 7.646 0.299 1
1 123 . 1 1 1 A 16 16 THR CA C 16 66.778 66.383 0.395 1
1 124 . 1 1 1 A 16 16 THR HA H 16 4.162 3.975 0.187 1
1 125 . 1 1 1 A 16 16 THR CB C 16 68.914 68.775 0.139 1
1 131 . 1 1 1 A 16 16 THR C C 16 176.419 176.929 -0.510 1
1 132 . 1 1 1 A 17 17 TRP N N 17 122.548 120.659 1.889 1
1 133 . 1 1 1 A 17 17 TRP H H 17 8.242 7.922 0.320 1
1 134 . 1 1 1 A 17 17 TRP CA C 17 63.006 61.470 1.536 1
1 135 . 1 1 1 A 17 17 TRP HA H 17 4.442 4.260 0.182 1
1 136 . 1 1 1 A 17 17 TRP CB C 17 28.530 29.927 -1.397 1
1 151 . 1 1 1 A 17 17 TRP C C 17 178.678 177.940 0.738 1
1 152 . 1 1 1 A 18 18 CYS N N 18 117.202 117.300 -0.098 1
1 153 . 1 1 1 A 18 18 CYS H H 18 8.993 8.183 0.810 1
1 154 . 1 1 1 A 18 18 CYS CA C 18 64.830 63.343 1.487 1
1 155 . 1 1 1 A 18 18 CYS HA H 18 3.855 4.036 -0.181 1
1 156 . 1 1 1 A 18 18 CYS CB C 18 27.945 27.478 0.467 1
1 159 . 1 1 1 A 18 18 CYS C C 18 178.411 177.218 1.193 1
1 160 . 1 1 1 A 19 19 GLN N N 19 120.296 120.076 0.220 1
1 161 . 1 1 1 A 19 19 GLN H H 19 8.696 8.670 0.026 1
1 162 . 1 1 1 A 19 19 GLN CA C 19 59.705 58.935 0.770 1
1 163 . 1 1 1 A 19 19 GLN HA H 19 3.654 4.091 -0.437 1
1 164 . 1 1 1 A 19 19 GLN CB C 19 27.820 28.147 -0.327 1
1 173 . 1 1 1 A 19 19 GLN C C 19 177.957 178.858 -0.901 1
1 174 . 1 1 1 A 20 20 GLN N N 20 119.247 120.092 -0.845 1
1 175 . 1 1 1 A 20 20 GLN H H 20 8.306 8.264 0.042 1
1 176 . 1 1 1 A 20 20 GLN CA C 20 58.838 58.927 -0.089 1
1 177 . 1 1 1 A 20 20 GLN HA H 20 4.016 4.062 -0.046 1
1 178 . 1 1 1 A 20 20 GLN CB C 20 28.000 28.519 -0.519 1
1 187 . 1 1 1 A 20 20 GLN C C 20 179.476 178.966 0.510 1
1 188 . 1 1 1 A 21 21 GLN N N 21 113.337 118.546 -5.209 1
1 189 . 1 1 1 A 21 21 GLN H H 21 7.999 8.062 -0.063 1
1 190 . 1 1 1 A 21 21 GLN CA C 21 55.909 59.023 -3.114 1
1 191 . 1 1 1 A 21 21 GLN HA H 21 4.043 3.844 0.199 1
1 192 . 1 1 1 A 21 21 GLN CB C 21 27.676 27.919 -0.243 1
1 201 . 1 1 1 A 21 21 GLN C C 21 177.394 178.818 -1.424 1
1 202 . 1 1 1 A 22 22 THR N N 22 103.485 111.565 -8.080 1
1 203 . 1 1 1 A 22 22 THR H H 22 7.119 7.866 -0.747 1
1 204 . 1 1 1 A 22 22 THR CA C 22 61.272 64.840 -3.568 1
1 205 . 1 1 1 A 22 22 THR HA H 22 4.092 4.161 -0.069 1
1 206 . 1 1 1 A 22 22 THR CB C 22 69.448 68.645 0.803 1
1 212 . 1 1 1 A 22 22 THR C C 22 174.644 174.829 -0.185 1
1 213 . 1 1 1 A 23 23 GLU N N 23 125.366 122.271 3.095 1
1 214 . 1 1 1 A 23 23 GLU H H 23 6.949 7.727 -0.778 1
1 215 . 1 1 1 A 23 23 GLU CA C 23 58.389 58.578 -0.189 1
1 216 . 1 1 1 A 23 23 GLU HA H 23 3.999 3.945 0.054 1
1 217 . 1 1 1 A 23 23 GLU CB C 23 29.683 29.492 0.191 1
1 223 . 1 1 1 A 23 23 GLU C C 23 177.061 177.316 -0.255 1
1 224 . 1 1 1 A 24 24 GLY N N 24 112.717 115.245 -2.528 1
1 225 . 1 1 1 A 24 24 GLY H H 24 8.732 8.910 -0.178 1
1 226 . 1 1 1 A 24 24 GLY CA C 24 45.326 45.123 0.203 1
1 227 . 1 1 1 A 24 24 GLY HA2 H 24 3.988 3.922 0.066 1
1 228 . 1 1 1 A 24 24 GLY HA3 H 24 3.538 3.939 -0.401 1
1 229 . 1 1 1 A 24 24 GLY C C 24 174.531 174.021 0.510 1
1 230 . 1 1 1 A 25 25 TYR N N 25 120.189 119.792 0.397 1
1 231 . 1 1 1 A 25 25 TYR H H 25 7.488 7.574 -0.086 1
1 232 . 1 1 1 A 25 25 TYR CA C 25 59.028 57.947 1.081 1
1 233 . 1 1 1 A 25 25 TYR HA H 25 3.947 4.322 -0.375 1
1 234 . 1 1 1 A 25 25 TYR CB C 25 37.202 38.805 -1.603 1
1 245 . 1 1 1 A 25 25 TYR C C 25 176.354 175.250 1.104 1
1 246 . 1 1 1 A 26 26 GLN N N 26 125.301 120.156 5.145 1
1 247 . 1 1 1 A 26 26 GLN H H 26 8.877 8.348 0.529 1
1 248 . 1 1 1 A 26 26 GLN CA C 26 56.923 54.423 2.500 1
1 249 . 1 1 1 A 26 26 GLN HA H 26 3.866 4.664 -0.798 1
1 250 . 1 1 1 A 26 26 GLN CB C 26 28.808 31.262 -2.454 1
1 259 . 1 1 1 A 26 26 GLN C C 26 175.582 175.662 -0.080 1
1 260 . 1 1 1 A 27 27 HIS N N 27 111.738 116.021 -4.283 1
1 261 . 1 1 1 A 27 27 HIS H H 27 8.581 8.528 0.053 1
1 262 . 1 1 1 A 27 27 HIS CA C 27 56.937 57.016 -0.079 1
1 263 . 1 1 1 A 27 27 HIS HA H 27 4.174 4.006 0.168 1
1 264 . 1 1 1 A 27 27 HIS CB C 27 26.839 26.933 -0.094 1
1 271 . 1 1 1 A 27 27 HIS C C 27 172.979 174.218 -1.239 1
1 272 . 1 1 1 A 28 28 VAL N N 28 118.229 119.085 -0.856 1
1 273 . 1 1 1 A 28 28 VAL H H 28 7.377 7.611 -0.234 1
1 274 . 1 1 1 A 28 28 VAL CA C 28 61.927 61.508 0.419 1
1 275 . 1 1 1 A 28 28 VAL HA H 28 3.922 4.212 -0.290 1
1 276 . 1 1 1 A 28 28 VAL CB C 28 33.373 32.944 0.429 1
1 286 . 1 1 1 A 28 28 VAL C C 28 174.687 173.403 1.284 1
1 287 . 1 1 1 A 29 29 ASN N N 29 125.832 127.959 -2.127 1
1 288 . 1 1 1 A 29 29 ASN H H 29 8.604 9.045 -0.441 1
1 289 . 1 1 1 A 29 29 ASN CA C 29 52.651 51.819 0.832 1
1 290 . 1 1 1 A 29 29 ASN HA H 29 4.682 5.311 -0.629 1
1 291 . 1 1 1 A 29 29 ASN CB C 29 39.124 39.643 -0.519 1
1 297 . 1 1 1 A 29 29 ASN C C 29 173.380 173.794 -0.414 1
1 298 . 1 1 1 A 30 30 VAL N N 30 125.146 126.693 -1.547 1
1 299 . 1 1 1 A 30 30 VAL H H 30 9.203 8.874 0.329 1
1 300 . 1 1 1 A 30 30 VAL CA C 30 63.838 62.537 1.301 1
1 301 . 1 1 1 A 30 30 VAL HA H 30 3.699 4.131 -0.432 1
1 302 . 1 1 1 A 30 30 VAL CB C 30 31.136 31.453 -0.317 1
1 312 . 1 1 1 A 30 30 VAL C C 30 176.046 176.470 -0.424 1
1 313 . 1 1 1 A 31 31 THR N N 31 118.952 118.070 0.882 1
1 314 . 1 1 1 A 31 31 THR H H 31 8.396 8.413 -0.017 1
1 315 . 1 1 1 A 31 31 THR CA C 31 60.985 61.675 -0.690 1
1 316 . 1 1 1 A 31 31 THR HA H 31 4.316 4.651 -0.335 1
1 317 . 1 1 1 A 31 31 THR CB C 31 70.087 70.293 -0.206 1
1 323 . 1 1 1 A 31 31 THR C C 31 173.296 174.795 -1.499 1
1 324 . 1 1 1 A 32 32 ASP N N 32 120.757 120.330 0.427 1
1 325 . 1 1 1 A 32 32 ASP H H 32 8.078 7.631 0.447 1
1 326 . 1 1 1 A 32 32 ASP CA C 32 53.069 52.642 0.427 1
1 327 . 1 1 1 A 32 32 ASP HA H 32 4.536 5.172 -0.636 1
1 328 . 1 1 1 A 32 32 ASP CB C 32 41.527 45.544 -4.017 1
1 331 . 1 1 1 A 32 32 ASP C C 32 174.931 175.144 -0.213 1
1 332 . 1 1 1 A 33 33 LEU N N 33 117.024 120.817 -3.793 1
1 333 . 1 1 1 A 33 33 LEU H H 33 8.733 8.497 0.236 1
1 334 . 1 1 1 A 33 33 LEU CA C 33 54.453 54.262 0.191 1
1 335 . 1 1 1 A 33 33 LEU HA H 33 4.834 5.063 -0.229 1
1 336 . 1 1 1 A 33 33 LEU CB C 33 41.867 42.283 -0.416 1
1 349 . 1 1 1 A 33 33 LEU C C 33 174.039 176.893 -2.854 1
1 350 . 1 1 1 A 34 34 THR N N 34 103.873 112.240 -8.367 1
1 351 . 1 1 1 A 34 34 THR H H 34 7.900 7.922 -0.022 1
1 352 . 1 1 1 A 34 34 THR CA C 34 60.434 62.372 -1.938 1
1 353 . 1 1 1 A 34 34 THR HA H 34 4.519 4.668 -0.149 1
1 354 . 1 1 1 A 34 34 THR CB C 34 70.237 69.762 0.475 1
1 360 . 1 1 1 A 34 34 THR C C 34 175.954 175.655 0.299 1
1 361 . 1 1 1 A 35 35 THR N N 35 118.103 117.410 0.693 1
1 362 . 1 1 1 A 35 35 THR H H 35 9.363 8.387 0.976 1
1 363 . 1 1 1 A 35 35 THR CA C 35 66.422 65.199 1.223 1
1 364 . 1 1 1 A 35 35 THR HA H 35 3.981 4.102 -0.121 1
1 365 . 1 1 1 A 35 35 THR CB C 35 68.720 68.773 -0.053 1
1 371 . 1 1 1 A 35 35 THR C C 35 177.778 176.931 0.847 1
1 372 . 1 1 1 A 36 36 SER N N 36 120.417 117.090 3.327 1
1 373 . 1 1 1 A 36 36 SER H H 36 10.544 8.273 2.271 1
1 374 . 1 1 1 A 36 36 SER CA C 36 61.076 61.678 -0.602 1
1 375 . 1 1 1 A 36 36 SER HA H 36 4.395 4.269 0.126 1
1 376 . 1 1 1 A 36 36 SER CB C 36 63.485 62.987 0.498 1
1 379 . 1 1 1 A 36 36 SER C C 36 173.956 175.210 -1.254 1
1 380 . 1 1 1 A 37 37 TRP N N 37 121.387 120.098 1.289 1
1 381 . 1 1 1 A 37 37 TRP H H 37 8.126 8.096 0.030 1
1 382 . 1 1 1 A 37 37 TRP CA C 37 57.689 56.421 1.268 1
1 383 . 1 1 1 A 37 37 TRP HA H 37 4.340 5.099 -0.759 1
1 384 . 1 1 1 A 37 37 TRP CB C 37 28.915 29.562 -0.647 1
1 399 . 1 1 1 A 37 37 TRP C C 37 176.751 176.685 0.066 1
1 400 . 1 1 1 A 38 38 ARG N N 38 121.787 119.877 1.910 1
1 401 . 1 1 1 A 38 38 ARG H H 38 7.473 8.366 -0.893 1
1 402 . 1 1 1 A 38 38 ARG CA C 38 60.250 58.204 2.046 1
1 403 . 1 1 1 A 38 38 ARG HA H 38 4.065 4.278 -0.213 1
1 404 . 1 1 1 A 38 38 ARG CB C 38 30.807 30.005 0.802 1
1 415 . 1 1 1 A 38 38 ARG C C 38 177.636 177.818 -0.182 1
1 416 . 1 1 1 A 39 39 SER N N 39 110.340 114.552 -4.212 1
1 417 . 1 1 1 A 39 39 SER H H 39 8.665 7.758 0.907 1
1 418 . 1 1 1 A 39 39 SER CA C 39 59.336 58.582 0.754 1
1 419 . 1 1 1 A 39 39 SER HA H 39 4.349 4.544 -0.195 1
1 420 . 1 1 1 A 39 39 SER CB C 39 64.907 64.094 0.813 1
1 423 . 1 1 1 A 39 39 SER C C 39 174.768 174.755 0.013 1
1 424 . 1 1 1 A 40 40 GLY N N 40 109.467 108.533 0.934 1
1 425 . 1 1 1 A 40 40 GLY H H 40 7.549 7.884 -0.335 1
1 426 . 1 1 1 A 40 40 GLY CA C 40 46.347 45.179 1.168 1
1 427 . 1 1 1 A 40 40 GLY HA2 H 40 3.875 3.877 -0.002 1
1 428 . 1 1 1 A 40 40 GLY HA3 H 40 3.915 4.000 -0.085 1
1 429 . 1 1 1 A 40 40 GLY C C 40 173.725 175.925 -2.200 1
1 430 . 1 1 1 A 41 41 LEU N N 41 117.562 121.796 -4.234 1
1 431 . 1 1 1 A 41 41 LEU H H 41 7.287 8.117 -0.830 1
1 432 . 1 1 1 A 41 41 LEU CA C 41 57.482 57.690 -0.208 1
1 433 . 1 1 1 A 41 41 LEU HA H 41 3.882 3.660 0.222 1
1 434 . 1 1 1 A 41 41 LEU CB C 41 42.615 41.446 1.169 1
1 447 . 1 1 1 A 41 41 LEU C C 41 178.159 178.640 -0.481 1
1 448 . 1 1 1 A 42 42 ALA N N 42 121.758 120.935 0.823 1
1 449 . 1 1 1 A 42 42 ALA H H 42 8.506 8.182 0.324 1
1 450 . 1 1 1 A 42 42 ALA CA C 42 55.694 55.038 0.656 1
1 451 . 1 1 1 A 42 42 ALA HA H 42 3.582 3.734 -0.152 1
1 452 . 1 1 1 A 42 42 ALA CB C 42 17.039 17.824 -0.785 1
1 456 . 1 1 1 A 42 42 ALA C C 42 178.076 179.455 -1.379 1
1 457 . 1 1 1 A 43 43 LEU N N 43 118.332 119.171 -0.839 1
1 458 . 1 1 1 A 43 43 LEU H H 43 8.933 7.689 1.244 1
1 459 . 1 1 1 A 43 43 LEU CA C 43 57.425 58.061 -0.636 1
1 460 . 1 1 1 A 43 43 LEU HA H 43 4.308 4.248 0.060 1
1 461 . 1 1 1 A 43 43 LEU CB C 43 42.068 42.060 0.008 1
1 474 . 1 1 1 A 43 43 LEU C C 43 179.198 178.490 0.708 1
1 475 . 1 1 1 A 44 44 CYS N N 44 115.098 116.918 -1.820 1
1 476 . 1 1 1 A 44 44 CYS H H 44 7.607 8.322 -0.715 1
1 477 . 1 1 1 A 44 44 CYS CA C 44 65.664 62.559 3.105 1
1 478 . 1 1 1 A 44 44 CYS HA H 44 4.035 4.117 -0.082 1
1 479 . 1 1 1 A 44 44 CYS CB C 44 27.516 26.758 0.758 1
1 482 . 1 1 1 A 44 44 CYS C C 44 176.222 177.318 -1.096 1
1 483 . 1 1 1 A 45 45 ALA N N 45 121.778 121.677 0.101 1
1 484 . 1 1 1 A 45 45 ALA H H 45 8.435 8.032 0.403 1
1 485 . 1 1 1 A 45 45 ALA CA C 45 55.306 54.790 0.516 1
1 486 . 1 1 1 A 45 45 ALA HA H 45 3.184 3.731 -0.547 1
1 487 . 1 1 1 A 45 45 ALA CB C 45 17.395 17.551 -0.156 1
1 491 . 1 1 1 A 45 45 ALA C C 45 177.510 179.962 -2.452 1
1 492 . 1 1 1 A 46 46 ILE N N 46 116.463 118.165 -1.702 1
1 493 . 1 1 1 A 46 46 ILE H H 46 7.527 7.854 -0.327 1
1 494 . 1 1 1 A 46 46 ILE CA C 46 65.137 64.957 0.180 1
1 495 . 1 1 1 A 46 46 ILE HA H 46 3.267 3.715 -0.448 1
1 496 . 1 1 1 A 46 46 ILE CB C 46 37.084 37.901 -0.817 1
1 509 . 1 1 1 A 46 46 ILE C C 46 176.744 178.654 -1.910 1
1 510 . 1 1 1 A 47 47 ILE N N 47 115.676 120.866 -5.190 1
1 511 . 1 1 1 A 47 47 ILE H H 47 7.786 7.972 -0.186 1
1 512 . 1 1 1 A 47 47 ILE CA C 47 66.948 65.027 1.921 1
1 513 . 1 1 1 A 47 47 ILE HA H 47 3.754 4.012 -0.258 1
1 514 . 1 1 1 A 47 47 ILE CB C 47 38.335 37.925 0.410 1
1 527 . 1 1 1 A 47 47 ILE C C 47 176.853 178.257 -1.404 1
1 528 . 1 1 1 A 48 48 HIS N N 48 120.066 120.432 -0.366 1
1 529 . 1 1 1 A 48 48 HIS H H 48 8.569 8.671 -0.102 1
1 530 . 1 1 1 A 48 48 HIS CA C 48 60.767 60.177 0.590 1
1 531 . 1 1 1 A 48 48 HIS HA H 48 3.918 4.513 -0.595 1
1 532 . 1 1 1 A 48 48 HIS CB C 48 31.245 30.291 0.954 1
1 539 . 1 1 1 A 48 48 HIS C C 48 175.841 177.097 -1.256 1
1 540 . 1 1 1 A 49 49 ARG N N 49 118.781 118.151 0.630 1
1 541 . 1 1 1 A 49 49 ARG H H 49 8.572 8.445 0.127 1
1 542 . 1 1 1 A 49 49 ARG CA C 49 58.152 59.357 -1.205 1
1 543 . 1 1 1 A 49 49 ARG HA H 49 3.680 4.235 -0.555 1
1 544 . 1 1 1 A 49 49 ARG CB C 49 28.454 30.158 -1.704 1
1 555 . 1 1 1 A 49 49 ARG C C 49 177.830 178.830 -1.000 1
1 556 . 1 1 1 A 50 50 PHE N N 50 113.909 117.586 -3.677 1
1 557 . 1 1 1 A 50 50 PHE H H 50 6.900 8.275 -1.375 1
1 558 . 1 1 1 A 50 50 PHE CA C 50 59.885 59.849 0.036 1
1 559 . 1 1 1 A 50 50 PHE HA H 50 4.281 4.412 -0.131 1
1 560 . 1 1 1 A 50 50 PHE CB C 50 41.527 40.147 1.380 1
1 573 . 1 1 1 A 50 50 PHE C C 50 176.867 176.057 0.810 1
1 574 . 1 1 1 A 51 51 ARG N N 51 120.652 118.654 1.998 1
1 575 . 1 1 1 A 51 51 ARG H H 51 9.059 8.130 0.929 1
1 576 . 1 1 1 A 51 51 ARG CA C 51 51.499 53.791 -2.292 1
1 577 . 1 1 1 A 51 51 ARG HA H 51 4.942 5.183 -0.241 1
1 578 . 1 1 1 A 51 51 ARG CB C 51 30.307 30.569 -0.262 1
1 589 . 1 1 1 A 51 51 ARG C C 51 172.670 174.686 -2.016 1
1 590 . 1 1 1 A 52 52 PRO CA C 52 64.948 64.340 0.608 1
1 591 . 1 1 1 A 52 52 PRO HA H 52 4.343 4.009 0.334 1
1 592 . 1 1 1 A 52 52 PRO CB C 52 31.091 31.684 -0.593 1
1 601 . 1 1 1 A 52 52 PRO C C 52 177.406 178.039 -0.633 1
1 602 . 1 1 1 A 53 53 GLU N N 53 118.219 116.164 2.055 1
1 603 . 1 1 1 A 53 53 GLU H H 53 9.784 9.069 0.715 1
1 604 . 1 1 1 A 53 53 GLU CA C 53 57.285 58.449 -1.164 1
1 605 . 1 1 1 A 53 53 GLU HA H 53 4.322 4.178 0.144 1
1 606 . 1 1 1 A 53 53 GLU CB C 53 27.771 27.967 -0.196 1
1 612 . 1 1 1 A 53 53 GLU C C 53 177.957 178.817 -0.860 1
1 613 . 1 1 1 A 54 54 LEU N N 54 119.316 118.347 0.969 1
1 614 . 1 1 1 A 54 54 LEU H H 54 8.212 7.368 0.844 1
1 615 . 1 1 1 A 54 54 LEU CA C 54 55.943 56.400 -0.457 1
1 616 . 1 1 1 A 54 54 LEU HA H 54 4.337 4.282 0.055 1
1 617 . 1 1 1 A 54 54 LEU CB C 54 43.122 43.444 -0.322 1
1 630 . 1 1 1 A 54 54 LEU C C 54 177.159 176.682 0.477 1
1 631 . 1 1 1 A 55 55 ILE N N 55 115.493 117.787 -2.294 1
1 632 . 1 1 1 A 55 55 ILE H H 55 6.990 7.929 -0.939 1
1 633 . 1 1 1 A 55 55 ILE CA C 55 59.645 59.920 -0.275 1
1 634 . 1 1 1 A 55 55 ILE HA H 55 4.230 4.730 -0.500 1
1 635 . 1 1 1 A 55 55 ILE CB C 55 43.159 41.357 1.802 1
1 648 . 1 1 1 A 55 55 ILE C C 55 173.302 174.524 -1.222 1
1 649 . 1 1 1 A 56 56 ASN N N 56 124.568 124.536 0.032 1
1 650 . 1 1 1 A 56 56 ASN H H 56 8.984 8.720 0.264 1
1 651 . 1 1 1 A 56 56 ASN CA C 56 51.198 51.921 -0.723 1
1 652 . 1 1 1 A 56 56 ASN HA H 56 5.100 5.597 -0.497 1
1 653 . 1 1 1 A 56 56 ASN CB C 56 36.452 39.095 -2.643 1
1 659 . 1 1 1 A 56 56 ASN C C 56 175.902 175.603 0.299 1
1 660 . 1 1 1 A 57 57 PHE N N 57 126.548 123.108 3.440 1
1 661 . 1 1 1 A 57 57 PHE H H 57 7.219 8.946 -1.727 1
1 662 . 1 1 1 A 57 57 PHE CA C 57 62.399 62.284 0.115 1
1 663 . 1 1 1 A 57 57 PHE HA H 57 3.514 4.038 -0.524 1
1 664 . 1 1 1 A 57 57 PHE CB C 57 39.553 39.719 -0.166 1
1 677 . 1 1 1 A 57 57 PHE C C 57 176.597 176.576 0.021 1
1 678 . 1 1 1 A 58 58 ASP N N 58 116.755 119.062 -2.307 1
1 679 . 1 1 1 A 58 58 ASP H H 58 8.691 8.412 0.279 1
1 680 . 1 1 1 A 58 58 ASP CA C 58 56.635 57.432 -0.797 1
1 681 . 1 1 1 A 58 58 ASP HA H 58 4.324 4.394 -0.070 1
1 682 . 1 1 1 A 58 58 ASP CB C 58 40.262 40.517 -0.255 1
1 685 . 1 1 1 A 58 58 ASP C C 58 176.562 178.400 -1.838 1
1 686 . 1 1 1 A 59 59 SER N N 59 112.320 113.986 -1.666 1
1 687 . 1 1 1 A 59 59 SER H H 59 7.412 8.236 -0.824 1
1 688 . 1 1 1 A 59 59 SER CA C 59 58.740 61.010 -2.270 1
1 689 . 1 1 1 A 59 59 SER HA H 59 4.365 4.328 0.037 1
1 690 . 1 1 1 A 59 59 SER CB C 59 64.598 63.355 1.243 1
1 693 . 1 1 1 A 59 59 SER C C 59 174.309 174.543 -0.234 1
1 694 . 1 1 1 A 60 60 LEU N N 60 121.693 122.919 -1.226 1
1 695 . 1 1 1 A 60 60 LEU H H 60 7.176 7.126 0.050 1
1 696 . 1 1 1 A 60 60 LEU CA C 60 54.593 55.054 -0.461 1
1 697 . 1 1 1 A 60 60 LEU HA H 60 4.196 4.035 0.161 1
1 698 . 1 1 1 A 60 60 LEU CB C 60 40.943 41.235 -0.292 1
1 711 . 1 1 1 A 60 60 LEU C C 60 176.774 175.551 1.223 1
1 712 . 1 1 1 A 61 61 ASN N N 61 121.648 124.467 -2.819 1
1 713 . 1 1 1 A 61 61 ASN H H 61 9.391 8.521 0.870 1
1 714 . 1 1 1 A 61 61 ASN CA C 61 51.763 52.513 -0.750 1
1 715 . 1 1 1 A 61 61 ASN HA H 61 4.721 4.962 -0.241 1
1 716 . 1 1 1 A 61 61 ASN CB C 61 40.025 40.295 -0.270 1
1 722 . 1 1 1 A 61 61 ASN C C 61 176.599 176.100 0.499 1
1 723 . 1 1 1 A 62 62 GLU N N 62 126.707 125.332 1.375 1
1 724 . 1 1 1 A 62 62 GLU H H 62 9.255 8.789 0.466 1
1 725 . 1 1 1 A 62 62 GLU CA C 62 58.926 59.310 -0.384 1
1 726 . 1 1 1 A 62 62 GLU HA H 62 3.688 3.981 -0.293 1
1 727 . 1 1 1 A 62 62 GLU CB C 62 29.479 29.086 0.393 1
1 733 . 1 1 1 A 62 62 GLU C C 62 176.196 177.868 -1.672 1
1 734 . 1 1 1 A 63 63 ASP N N 63 116.763 120.360 -3.597 1
1 735 . 1 1 1 A 63 63 ASP H H 63 8.317 8.231 0.086 1
1 736 . 1 1 1 A 63 63 ASP CA C 63 55.499 57.984 -2.485 1
1 737 . 1 1 1 A 63 63 ASP HA H 63 4.509 4.343 0.166 1
1 738 . 1 1 1 A 63 63 ASP CB C 63 40.697 41.844 -1.147 1
1 741 . 1 1 1 A 63 63 ASP C C 63 177.195 177.625 -0.430 1
1 742 . 1 1 1 A 64 64 ASP N N 64 123.036 116.912 6.124 1
1 743 . 1 1 1 A 64 64 ASP H H 64 7.422 8.391 -0.969 1
1 744 . 1 1 1 A 64 64 ASP CA C 64 52.760 53.496 -0.736 1
1 745 . 1 1 1 A 64 64 ASP HA H 64 4.949 4.848 0.101 1
1 746 . 1 1 1 A 64 64 ASP CB C 64 38.920 39.241 -0.321 1
1 749 . 1 1 1 A 64 64 ASP C C 64 174.979 176.234 -1.255 1
1 750 . 1 1 1 A 65 65 ALA N N 65 123.411 123.308 0.103 1
1 751 . 1 1 1 A 65 65 ALA H H 65 7.527 8.203 -0.676 1
1 752 . 1 1 1 A 65 65 ALA CA C 65 55.750 55.099 0.651 1
1 753 . 1 1 1 A 65 65 ALA HA H 65 4.295 3.852 0.443 1
1 754 . 1 1 1 A 65 65 ALA CB C 65 19.889 18.503 1.386 1
1 758 . 1 1 1 A 65 65 ALA C C 65 181.114 179.718 1.396 1
1 759 . 1 1 1 A 66 66 VAL N N 66 119.151 118.262 0.889 1
1 760 . 1 1 1 A 66 66 VAL H H 66 8.305 8.177 0.128 1
1 761 . 1 1 1 A 66 66 VAL CA C 66 67.423 67.086 0.337 1
1 762 . 1 1 1 A 66 66 VAL HA H 66 3.292 3.550 -0.258 1
1 763 . 1 1 1 A 66 66 VAL CB C 66 31.418 31.572 -0.154 1
1 773 . 1 1 1 A 66 66 VAL C C 66 177.471 177.754 -0.283 1
1 774 . 1 1 1 A 67 67 GLU N N 67 117.895 118.776 -0.881 1
1 775 . 1 1 1 A 67 67 GLU H H 67 8.256 8.270 -0.014 1
1 776 . 1 1 1 A 67 67 GLU CA C 67 59.831 59.827 0.004 1
1 777 . 1 1 1 A 67 67 GLU HA H 67 3.901 3.886 0.015 1
1 778 . 1 1 1 A 67 67 GLU CB C 67 28.963 29.386 -0.423 1
1 784 . 1 1 1 A 67 67 GLU C C 67 179.796 179.363 0.433 1
1 785 . 1 1 1 A 68 68 ASN N N 68 119.611 118.083 1.528 1
1 786 . 1 1 1 A 68 68 ASN H H 68 9.019 8.255 0.764 1
1 787 . 1 1 1 A 68 68 ASN CA C 68 55.797 55.478 0.319 1
1 788 . 1 1 1 A 68 68 ASN HA H 68 4.325 4.354 -0.029 1
1 789 . 1 1 1 A 68 68 ASN CB C 68 37.140 38.335 -1.195 1
1 795 . 1 1 1 A 68 68 ASN C C 68 177.193 178.011 -0.818 1
1 796 . 1 1 1 A 69 69 ASN N N 69 115.555 117.849 -2.294 1
1 797 . 1 1 1 A 69 69 ASN H H 69 7.589 7.716 -0.127 1
1 798 . 1 1 1 A 69 69 ASN CA C 69 57.155 55.137 2.018 1
1 799 . 1 1 1 A 69 69 ASN HA H 69 3.880 4.178 -0.298 1
1 800 . 1 1 1 A 69 69 ASN CB C 69 40.785 38.440 2.345 1
1 806 . 1 1 1 A 69 69 ASN C C 69 175.062 177.266 -2.204 1
1 807 . 1 1 1 A 70 70 GLN N N 70 115.794 119.591 -3.797 1
1 808 . 1 1 1 A 70 70 GLN H H 70 8.058 7.923 0.135 1
1 809 . 1 1 1 A 70 70 GLN CA C 70 58.400 58.648 -0.248 1
1 810 . 1 1 1 A 70 70 GLN HA H 70 3.591 3.911 -0.320 1
1 811 . 1 1 1 A 70 70 GLN CB C 70 29.420 28.356 1.064 1
1 820 . 1 1 1 A 70 70 GLN C C 70 176.954 177.795 -0.841 1
1 821 . 1 1 1 A 71 71 LEU N N 71 118.631 120.813 -2.182 1
1 822 . 1 1 1 A 71 71 LEU H H 71 8.090 8.013 0.077 1
1 823 . 1 1 1 A 71 71 LEU CA C 71 58.121 58.434 -0.313 1
1 824 . 1 1 1 A 71 71 LEU HA H 71 4.291 3.974 0.317 1
1 825 . 1 1 1 A 71 71 LEU CB C 71 42.100 41.756 0.344 1
1 838 . 1 1 1 A 71 71 LEU C C 71 177.664 178.092 -0.428 1
1 839 . 1 1 1 A 72 72 ALA N N 72 119.977 120.472 -0.495 1
1 840 . 1 1 1 A 72 72 ALA H H 72 7.274 8.155 -0.881 1
1 841 . 1 1 1 A 72 72 ALA CA C 72 55.807 55.112 0.695 1
1 842 . 1 1 1 A 72 72 ALA HA H 72 3.873 4.123 -0.250 1
1 843 . 1 1 1 A 72 72 ALA CB C 72 18.412 18.785 -0.373 1
1 847 . 1 1 1 A 72 72 ALA C C 72 179.676 180.381 -0.705 1
1 848 . 1 1 1 A 73 73 PHE N N 73 115.018 116.316 -1.298 1
1 849 . 1 1 1 A 73 73 PHE H H 73 8.722 8.234 0.488 1
1 850 . 1 1 1 A 73 73 PHE CA C 73 56.889 61.410 -4.521 1
1 851 . 1 1 1 A 73 73 PHE HA H 73 4.848 4.520 0.328 1
1 852 . 1 1 1 A 73 73 PHE CB C 73 37.404 39.054 -1.650 1
1 865 . 1 1 1 A 73 73 PHE C C 73 180.123 177.778 2.345 1
1 866 . 1 1 1 A 74 74 ASP N N 74 122.136 119.205 2.931 1
1 867 . 1 1 1 A 74 74 ASP H H 74 9.262 8.774 0.488 1
1 868 . 1 1 1 A 74 74 ASP CA C 74 57.648 57.511 0.137 1
1 869 . 1 1 1 A 74 74 ASP HA H 74 4.550 4.399 0.151 1
1 870 . 1 1 1 A 74 74 ASP CB C 74 40.073 41.920 -1.847 1
1 873 . 1 1 1 A 74 74 ASP C C 74 179.818 178.591 1.227 1
1 874 . 1 1 1 A 75 75 VAL N N 75 122.521 119.206 3.315 1
1 875 . 1 1 1 A 75 75 VAL H H 75 9.080 8.338 0.742 1
1 876 . 1 1 1 A 75 75 VAL CA C 75 66.894 66.446 0.448 1
1 877 . 1 1 1 A 75 75 VAL HA H 75 3.611 3.579 0.032 1
1 878 . 1 1 1 A 75 75 VAL CB C 75 31.943 31.560 0.383 1
1 888 . 1 1 1 A 75 75 VAL C C 75 177.813 178.267 -0.454 1
1 889 . 1 1 1 A 76 76 ALA N N 76 121.109 121.756 -0.647 1
1 890 . 1 1 1 A 76 76 ALA H H 76 8.813 8.632 0.181 1
1 891 . 1 1 1 A 76 76 ALA CA C 76 55.181 55.028 0.153 1
1 892 . 1 1 1 A 76 76 ALA HA H 76 4.092 3.764 0.328 1
1 893 . 1 1 1 A 76 76 ALA CB C 76 19.324 18.601 0.723 1
1 897 . 1 1 1 A 76 76 ALA C C 76 180.373 180.031 0.342 1
1 898 . 1 1 1 A 77 77 GLU N N 77 120.309 118.650 1.659 1
1 899 . 1 1 1 A 77 77 GLU H H 77 8.257 8.052 0.205 1
1 900 . 1 1 1 A 77 77 GLU CA C 77 59.818 58.668 1.150 1
1 901 . 1 1 1 A 77 77 GLU HA H 77 3.982 4.186 -0.204 1
1 902 . 1 1 1 A 77 77 GLU CB C 77 30.530 29.846 0.684 1
1 908 . 1 1 1 A 77 77 GLU C C 77 178.591 177.935 0.656 1
1 909 . 1 1 1 A 78 78 ARG N N 78 119.060 118.639 0.421 1
1 910 . 1 1 1 A 78 78 ARG H H 78 8.325 7.837 0.488 1
1 911 . 1 1 1 A 78 78 ARG CA C 78 59.232 57.145 2.087 1
1 912 . 1 1 1 A 78 78 ARG HA H 78 4.048 4.331 -0.283 1
1 913 . 1 1 1 A 78 78 ARG CB C 78 31.462 31.019 0.443 1
1 924 . 1 1 1 A 78 78 ARG C C 78 178.327 177.595 0.732 1
1 925 . 1 1 1 A 79 79 GLU N N 79 114.012 117.470 -3.458 1
1 926 . 1 1 1 A 79 79 GLU H H 79 8.878 8.268 0.610 1
1 927 . 1 1 1 A 79 79 GLU CA C 79 56.599 58.104 -1.505 1
1 928 . 1 1 1 A 79 79 GLU HA H 79 4.329 4.360 -0.031 1
1 929 . 1 1 1 A 79 79 GLU CB C 79 28.771 30.513 -1.742 1
1 935 . 1 1 1 A 79 79 GLU C C 79 178.301 178.146 0.155 1
1 936 . 1 1 1 A 80 80 PHE N N 80 113.394 117.072 -3.678 1
1 937 . 1 1 1 A 80 80 PHE H H 80 6.906 7.308 -0.402 1
1 938 . 1 1 1 A 80 80 PHE CA C 80 53.518 58.020 -4.502 1
1 939 . 1 1 1 A 80 80 PHE HA H 80 5.246 4.582 0.664 1
1 940 . 1 1 1 A 80 80 PHE CB C 80 39.910 39.284 0.626 1
1 953 . 1 1 1 A 80 80 PHE C C 80 176.487 175.976 0.511 1
1 954 . 1 1 1 A 81 81 GLY N N 81 108.698 109.150 -0.452 1
1 955 . 1 1 1 A 81 81 GLY H H 81 7.352 8.232 -0.880 1
1 956 . 1 1 1 A 81 81 GLY CA C 81 46.520 46.275 0.245 1
1 957 . 1 1 1 A 81 81 GLY HA2 H 81 3.975 3.976 -0.001 1
1 958 . 1 1 1 A 81 81 GLY HA3 H 81 3.975 3.982 -0.007 1
1 959 . 1 1 1 A 81 81 GLY C C 81 174.711 174.539 0.172 1
1 960 . 1 1 1 A 82 82 ILE N N 82 122.486 122.574 -0.088 1
1 961 . 1 1 1 A 82 82 ILE H H 82 7.507 8.032 -0.525 1
1 962 . 1 1 1 A 82 82 ILE CA C 82 58.810 58.466 0.344 1
1 963 . 1 1 1 A 82 82 ILE HA H 82 4.285 4.234 0.051 1
1 964 . 1 1 1 A 82 82 ILE CB C 82 39.376 38.547 0.829 1
1 977 . 1 1 1 A 82 82 ILE C C 82 172.836 174.842 -2.006 1
1 978 . 1 1 1 A 83 83 PRO CA C 83 60.989 61.898 -0.909 1
1 979 . 1 1 1 A 83 83 PRO HA H 83 4.589 4.674 -0.085 1
1 980 . 1 1 1 A 83 83 PRO CB C 83 31.107 32.351 -1.244 1
1 989 . 1 1 1 A 84 84 PRO CA C 84 62.860 62.313 0.547 1
1 990 . 1 1 1 A 84 84 PRO HA H 84 4.405 4.322 0.083 1
1 991 . 1 1 1 A 84 84 PRO CB C 84 32.638 31.755 0.883 1
1 1000 . 1 1 1 A 84 84 PRO C C 84 177.894 177.424 0.470 1
1 1001 . 1 1 1 A 85 85 VAL N N 85 114.062 118.606 -4.544 1
1 1002 . 1 1 1 A 85 85 VAL H H 85 6.621 7.792 -1.171 1
1 1003 . 1 1 1 A 85 85 VAL CA C 85 61.000 64.207 -3.207 1
1 1004 . 1 1 1 A 85 85 VAL HA H 85 4.080 3.788 0.292 1
1 1005 . 1 1 1 A 85 85 VAL CB C 85 32.725 31.803 0.922 1
1 1015 . 1 1 1 A 85 85 VAL C C 85 174.315 175.502 -1.187 1
1 1016 . 1 1 1 A 86 86 THR N N 86 114.774 114.935 -0.161 1
1 1017 . 1 1 1 A 86 86 THR H H 86 6.827 7.448 -0.621 1
1 1018 . 1 1 1 A 86 86 THR CA C 86 59.336 59.553 -0.217 1
1 1019 . 1 1 1 A 86 86 THR HA H 86 4.442 4.700 -0.258 1
1 1020 . 1 1 1 A 86 86 THR CB C 86 68.016 72.026 -4.010 1
1 1026 . 1 1 1 A 86 86 THR C C 86 172.724 172.823 -0.099 1
1 1027 . 1 1 1 A 87 87 THR N N 87 109.655 115.592 -5.937 1
1 1028 . 1 1 1 A 87 87 THR H H 87 8.313 8.628 -0.315 1
1 1029 . 1 1 1 A 87 87 THR CA C 87 59.870 60.325 -0.455 1
1 1030 . 1 1 1 A 87 87 THR HA H 87 5.000 4.866 0.134 1
1 1031 . 1 1 1 A 87 87 THR CB C 87 72.527 70.506 2.021 1
1 1037 . 1 1 1 A 87 87 THR C C 87 176.440 175.853 0.587 1
1 1038 . 1 1 1 A 88 88 GLY N N 88 110.531 110.846 -0.315 1
1 1039 . 1 1 1 A 88 88 GLY H H 88 9.655 9.084 0.571 1
1 1040 . 1 1 1 A 88 88 GLY CA C 88 49.124 47.582 1.542 1
1 1041 . 1 1 1 A 88 88 GLY HA2 H 88 4.115 3.862 0.253 1
1 1042 . 1 1 1 A 88 88 GLY HA3 H 88 3.755 3.952 -0.197 1
1 1043 . 1 1 1 A 88 88 GLY C C 88 175.154 175.642 -0.488 1
1 1044 . 1 1 1 A 89 89 LYS N N 89 119.606 121.673 -2.067 1
1 1045 . 1 1 1 A 89 89 LYS H H 89 8.542 8.084 0.458 1
1 1046 . 1 1 1 A 89 89 LYS CA C 89 59.687 59.565 0.122 1
1 1047 . 1 1 1 A 89 89 LYS HA H 89 4.030 3.998 0.032 1
1 1048 . 1 1 1 A 89 89 LYS CB C 89 32.733 32.363 0.370 1
1 1060 . 1 1 1 A 89 89 LYS C C 89 178.921 179.155 -0.234 1
1 1061 . 1 1 1 A 90 90 GLU N N 90 118.992 119.645 -0.653 1
1 1062 . 1 1 1 A 90 90 GLU H H 90 7.610 7.989 -0.379 1
1 1063 . 1 1 1 A 90 90 GLU CA C 90 59.238 59.669 -0.431 1
1 1064 . 1 1 1 A 90 90 GLU HA H 90 4.008 4.035 -0.027 1
1 1065 . 1 1 1 A 90 90 GLU CB C 90 29.946 28.839 1.107 1
1 1071 . 1 1 1 A 90 90 GLU C C 90 179.366 178.607 0.759 1
1 1072 . 1 1 1 A 91 91 MET N N 91 120.109 119.115 0.994 1
1 1073 . 1 1 1 A 91 91 MET H H 91 8.468 8.441 0.027 1
1 1074 . 1 1 1 A 91 91 MET CA C 91 57.606 58.550 -0.944 1
1 1075 . 1 1 1 A 91 91 MET HA H 91 4.355 4.098 0.257 1
1 1076 . 1 1 1 A 91 91 MET CB C 91 32.364 32.470 -0.106 1
1 1086 . 1 1 1 A 91 91 MET C C 91 177.168 178.166 -0.998 1
1 1087 . 1 1 1 A 92 92 ALA N N 92 115.912 121.961 -6.049 1
1 1088 . 1 1 1 A 92 92 ALA H H 92 7.876 7.731 0.145 1
1 1089 . 1 1 1 A 92 92 ALA CA C 92 53.278 55.131 -1.853 1
1 1090 . 1 1 1 A 92 92 ALA HA H 92 4.316 4.224 0.092 1
1 1091 . 1 1 1 A 92 92 ALA CB C 92 20.275 18.524 1.751 1
1 1095 . 1 1 1 A 92 92 ALA C C 92 178.672 179.393 -0.721 1
1 1096 . 1 1 1 A 93 93 SER N N 93 111.760 113.414 -1.654 1
1 1097 . 1 1 1 A 93 93 SER H H 93 7.431 8.465 -1.034 1
1 1098 . 1 1 1 A 93 93 SER CA C 93 58.584 62.325 -3.741 1
1 1099 . 1 1 1 A 93 93 SER HA H 93 4.471 4.150 0.321 1
1 1100 . 1 1 1 A 93 93 SER CB C 93 64.582 62.851 1.731 1
1 1103 . 1 1 1 A 93 93 SER C C 93 173.576 175.895 -2.319 1
1 1104 . 1 1 1 A 94 94 ALA N N 94 123.381 121.527 1.854 1
1 1105 . 1 1 1 A 94 94 ALA H H 94 7.903 7.999 -0.096 1
1 1106 . 1 1 1 A 94 94 ALA CA C 94 52.760 53.426 -0.666 1
1 1107 . 1 1 1 A 94 94 ALA HA H 94 4.267 4.095 0.172 1
1 1108 . 1 1 1 A 94 94 ALA CB C 94 18.364 19.303 -0.939 1
1 1112 . 1 1 1 A 94 94 ALA C C 94 177.611 177.490 0.121 1
1 1113 . 1 1 1 A 95 95 GLN N N 95 120.874 123.624 -2.750 1
1 1114 . 1 1 1 A 95 95 GLN H H 95 8.305 8.703 -0.398 1
1 1115 . 1 1 1 A 95 95 GLN CA C 95 56.821 57.965 -1.144 1
1 1116 . 1 1 1 A 95 95 GLN HA H 95 4.185 4.213 -0.028 1
1 1117 . 1 1 1 A 95 95 GLN CB C 95 29.052 29.517 -0.465 1
1 1126 . 1 1 1 A 95 95 GLN C C 95 175.975 175.717 0.258 1
1 1127 . 1 1 1 A 96 96 GLU N N 96 120.251 118.116 2.135 1
1 1128 . 1 1 1 A 96 96 GLU H H 96 8.402 7.950 0.452 1
1 1129 . 1 1 1 A 96 96 GLU CA C 96 54.378 53.200 1.178 1
1 1130 . 1 1 1 A 96 96 GLU HA H 96 4.537 4.739 -0.202 1
1 1131 . 1 1 1 A 96 96 GLU CB C 96 30.216 30.931 -0.715 1
1 1137 . 1 1 1 A 96 96 GLU C C 96 173.618 174.126 -0.508 1
1 1138 . 1 1 1 A 97 97 PRO CA C 97 62.763 62.270 0.493 1
1 1139 . 1 1 1 A 97 97 PRO HA H 97 4.362 4.639 -0.277 1
1 1140 . 1 1 1 A 97 97 PRO CB C 97 32.356 33.034 -0.678 1
1 1149 . 1 1 1 A 97 97 PRO C C 97 174.841 175.260 -0.419 1
1 1150 . 1 1 1 A 98 98 ASP N N 98 120.272 120.461 -0.189 1
1 1151 . 1 1 1 A 98 98 ASP H H 98 8.396 8.694 -0.298 1
1 1152 . 1 1 1 A 98 98 ASP CA C 98 54.555 53.966 0.589 1
1 1153 . 1 1 1 A 98 98 ASP HA H 98 4.409 4.696 -0.287 1
1 1154 . 1 1 1 A 98 98 ASP CB C 98 42.248 40.686 1.562 1
1 1157 . 1 1 1 A 98 98 ASP C C 98 176.253 176.681 -0.428 1
1 1158 . 1 1 1 A 99 99 LYS N N 99 126.808 126.890 -0.082 1
1 1159 . 1 1 1 A 99 99 LYS H H 99 8.454 8.684 -0.230 1
1 1160 . 1 1 1 A 99 99 LYS CA C 99 60.158 59.536 0.622 1
1 1161 . 1 1 1 A 99 99 LYS HA H 99 3.705 3.884 -0.179 1
1 1162 . 1 1 1 A 99 99 LYS CB C 99 32.832 32.185 0.647 1
1 1174 . 1 1 1 A 99 99 LYS C C 99 177.621 177.841 -0.220 1
1 1175 . 1 1 1 A 100 100 LEU N N 100 118.450 120.706 -2.256 1
1 1176 . 1 1 1 A 100 100 LEU H H 100 8.160 8.113 0.047 1
1 1177 . 1 1 1 A 100 100 LEU CA C 100 58.094 57.790 0.304 1
1 1178 . 1 1 1 A 100 100 LEU HA H 100 4.020 3.855 0.165 1
1 1179 . 1 1 1 A 100 100 LEU CB C 100 40.800 41.747 -0.947 1
1 1192 . 1 1 1 A 100 100 LEU C C 100 179.776 178.471 1.305 1
1 1193 . 1 1 1 A 101 101 SER N N 101 115.644 114.115 1.529 1
1 1194 . 1 1 1 A 101 101 SER H H 101 8.047 8.285 -0.238 1
1 1195 . 1 1 1 A 101 101 SER CA C 101 61.765 61.727 0.038 1
1 1196 . 1 1 1 A 101 101 SER HA H 101 4.174 4.152 0.022 1
1 1197 . 1 1 1 A 101 101 SER CB C 101 62.609 63.195 -0.586 1
1 1200 . 1 1 1 A 101 101 SER C C 101 176.476 176.536 -0.060 1
1 1201 . 1 1 1 A 102 102 MET N N 102 120.653 120.706 -0.053 1
1 1202 . 1 1 1 A 102 102 MET H H 102 8.027 7.886 0.141 1
1 1203 . 1 1 1 A 102 102 MET CA C 102 56.380 58.330 -1.950 1
1 1204 . 1 1 1 A 102 102 MET HA H 102 4.508 4.115 0.393 1
1 1205 . 1 1 1 A 102 102 MET CB C 102 30.731 33.176 -2.445 1
1 1215 . 1 1 1 A 102 102 MET C C 102 178.903 178.430 0.473 1
1 1216 . 1 1 1 A 103 103 VAL N N 103 119.836 119.704 0.132 1
1 1217 . 1 1 1 A 103 103 VAL H H 103 8.556 8.096 0.460 1
1 1218 . 1 1 1 A 103 103 VAL CA C 103 67.049 66.619 0.430 1
1 1219 . 1 1 1 A 103 103 VAL HA H 103 3.370 3.540 -0.170 1
1 1220 . 1 1 1 A 103 103 VAL CB C 103 31.583 31.458 0.125 1
1 1230 . 1 1 1 A 103 103 VAL C C 103 179.225 177.936 1.289 1
1 1231 . 1 1 1 A 104 104 MET N N 104 120.390 118.593 1.797 1
1 1232 . 1 1 1 A 104 104 MET H H 104 8.112 8.447 -0.335 1
1 1233 . 1 1 1 A 104 104 MET CA C 104 58.991 58.385 0.606 1
1 1234 . 1 1 1 A 104 104 MET HA H 104 4.047 4.224 -0.177 1
1 1235 . 1 1 1 A 104 104 MET CB C 104 31.979 32.226 -0.247 1
1 1245 . 1 1 1 A 104 104 MET C C 104 178.210 178.169 0.041 1
1 1246 . 1 1 1 A 105 105 TYR N N 105 120.956 122.149 -1.193 1
1 1247 . 1 1 1 A 105 105 TYR H H 105 8.185 8.064 0.121 1
1 1248 . 1 1 1 A 105 105 TYR CA C 105 61.449 61.592 -0.143 1
1 1249 . 1 1 1 A 105 105 TYR HA H 105 4.317 4.151 0.166 1
1 1250 . 1 1 1 A 105 105 TYR CB C 105 40.259 38.691 1.568 1
1 1261 . 1 1 1 A 105 105 TYR C C 105 177.805 177.281 0.524 1
1 1262 . 1 1 1 A 106 106 LEU N N 106 116.468 120.645 -4.177 1
1 1263 . 1 1 1 A 106 106 LEU H H 106 9.088 8.910 0.178 1
1 1264 . 1 1 1 A 106 106 LEU CA C 106 57.744 57.893 -0.149 1
1 1265 . 1 1 1 A 106 106 LEU HA H 106 4.139 3.954 0.185 1
1 1266 . 1 1 1 A 106 106 LEU CB C 106 42.285 41.153 1.132 1
1 1279 . 1 1 1 A 106 106 LEU C C 106 180.758 179.048 1.710 1
1 1280 . 1 1 1 A 107 107 SER N N 107 114.570 114.226 0.344 1
1 1281 . 1 1 1 A 107 107 SER H H 107 8.338 8.347 -0.009 1
1 1282 . 1 1 1 A 107 107 SER CA C 107 63.030 62.037 0.993 1
1 1283 . 1 1 1 A 107 107 SER HA H 107 4.016 3.985 0.031 1
1 1284 . 1 1 1 A 107 107 SER CB C 107 62.866 62.613 0.253 1
1 1287 . 1 1 1 A 107 107 SER C C 107 175.377 176.528 -1.151 1
1 1288 . 1 1 1 A 108 108 LYS N N 108 120.221 121.380 -1.159 1
1 1289 . 1 1 1 A 108 108 LYS H H 108 7.522 7.664 -0.142 1
1 1290 . 1 1 1 A 108 108 LYS CA C 108 58.870 58.702 0.168 1
1 1291 . 1 1 1 A 108 108 LYS HA H 108 3.910 3.903 0.007 1
1 1292 . 1 1 1 A 108 108 LYS CB C 108 31.719 32.004 -0.285 1
1 1304 . 1 1 1 A 108 108 LYS C C 108 179.587 179.486 0.101 1
1 1305 . 1 1 1 A 109 109 PHE N N 109 118.900 119.305 -0.405 1
1 1306 . 1 1 1 A 109 109 PHE H H 109 7.282 7.876 -0.594 1
1 1307 . 1 1 1 A 109 109 PHE CA C 109 61.501 59.846 1.655 1
1 1308 . 1 1 1 A 109 109 PHE HA H 109 3.550 4.044 -0.494 1
1 1309 . 1 1 1 A 109 109 PHE CB C 109 38.201 38.330 -0.129 1
1 1322 . 1 1 1 A 109 109 PHE C C 109 176.181 177.989 -1.808 1
1 1323 . 1 1 1 A 110 110 TYR N N 110 120.089 120.192 -0.103 1
1 1324 . 1 1 1 A 110 110 TYR H H 110 7.417 8.163 -0.746 1
1 1325 . 1 1 1 A 110 110 TYR CA C 110 60.263 60.891 -0.628 1
1 1326 . 1 1 1 A 110 110 TYR HA H 110 2.584 3.029 -0.445 1
1 1327 . 1 1 1 A 110 110 TYR CB C 110 38.138 38.205 -0.067 1
1 1338 . 1 1 1 A 110 110 TYR C C 110 176.298 177.570 -1.272 1
1 1339 . 1 1 1 A 111 111 GLU N N 111 115.750 118.323 -2.573 1
1 1340 . 1 1 1 A 111 111 GLU H H 111 7.899 8.455 -0.556 1
1 1341 . 1 1 1 A 111 111 GLU CA C 111 58.712 59.187 -0.475 1
1 1342 . 1 1 1 A 111 111 GLU HA H 111 3.528 3.862 -0.334 1
1 1343 . 1 1 1 A 111 111 GLU CB C 111 29.429 29.115 0.314 1
1 1349 . 1 1 1 A 111 111 GLU C C 111 178.367 178.858 -0.491 1
1 1350 . 1 1 1 A 112 112 LEU N N 112 118.646 122.086 -3.440 1
1 1351 . 1 1 1 A 112 112 LEU H H 112 6.922 7.725 -0.803 1
1 1352 . 1 1 1 A 112 112 LEU CA C 112 57.107 57.737 -0.630 1
1 1353 . 1 1 1 A 112 112 LEU HA H 112 3.775 3.901 -0.126 1
1 1354 . 1 1 1 A 112 112 LEU CB C 112 42.499 41.587 0.912 1
1 1367 . 1 1 1 A 112 112 LEU C C 112 178.820 178.303 0.517 1
1 1368 . 1 1 1 A 113 113 PHE N N 113 114.884 114.886 -0.002 1
1 1369 . 1 1 1 A 113 113 PHE H H 113 7.723 7.408 0.315 1
1 1370 . 1 1 1 A 113 113 PHE CA C 113 57.108 59.825 -2.717 1
1 1371 . 1 1 1 A 113 113 PHE HA H 113 4.495 4.189 0.306 1
1 1372 . 1 1 1 A 113 113 PHE CB C 113 38.324 40.249 -1.925 1
1 1385 . 1 1 1 A 113 113 PHE C C 113 177.445 176.730 0.715 1
1 1386 . 1 1 1 A 114 114 ARG N N 114 119.913 117.586 2.327 1
1 1387 . 1 1 1 A 114 114 ARG H H 114 7.840 7.967 -0.127 1
1 1388 . 1 1 1 A 114 114 ARG CA C 114 57.747 55.656 2.091 1
1 1389 . 1 1 1 A 114 114 ARG HA H 114 4.164 4.195 -0.031 1
1 1390 . 1 1 1 A 114 114 ARG CB C 114 28.994 29.710 -0.716 1
1 1399 . 1 1 1 A 114 114 ARG C C 114 177.051 175.513 1.538 1
1 1400 . 1 1 1 A 115 115 GLY N N 115 108.376 113.330 -4.954 1
1 1401 . 1 1 1 A 115 115 GLY H H 115 8.070 8.318 -0.248 1
1 1402 . 1 1 1 A 115 115 GLY CA C 115 45.201 44.536 0.665 1
1 1403 . 1 1 1 A 115 115 GLY HA2 H 115 3.873 4.007 -0.134 1
1 1404 . 1 1 1 A 115 115 GLY HA3 H 115 3.988 4.028 -0.040 1
1 1405 . 1 1 1 A 115 115 GLY C C 115 173.987 173.324 0.663 1
1 1406 . 1 1 1 A 116 116 THR N N 116 116.618 114.787 1.831 1
1 1407 . 1 1 1 A 116 116 THR H H 116 7.858 8.365 -0.507 1
1 1408 . 1 1 1 A 116 116 THR CA C 116 60.032 60.450 -0.418 1
1 1409 . 1 1 1 A 116 116 THR HA H 116 4.620 4.488 0.132 1
1 1410 . 1 1 1 A 116 116 THR CB C 116 70.082 68.833 1.249 1
1 1416 . 1 1 1 A 116 116 THR C C 116 172.615 173.925 -1.310 1
1 1417 . 1 1 1 A 117 117 PRO CA C 117 63.086 62.968 0.118 1
1 1418 . 1 1 1 A 117 117 PRO HA H 117 4.451 4.718 -0.267 1
1 1419 . 1 1 1 A 117 117 PRO CB C 117 32.220 32.401 -0.181 1
1 1428 . 1 1 1 A 117 117 PRO C C 117 176.812 176.424 0.388 1
1 1429 . 1 1 1 A 118 118 LEU N N 118 122.695 117.970 4.725 1
1 1430 . 1 1 1 A 118 118 LEU H H 118 8.424 8.337 0.087 1
1 1431 . 1 1 1 A 118 118 LEU CA C 118 55.266 52.711 2.555 1
1 1432 . 1 1 1 A 118 118 LEU HA H 118 4.276 5.062 -0.786 1
1 1433 . 1 1 1 A 118 118 LEU CB C 118 42.339 45.356 -3.017 1
1 1446 . 1 1 1 A 118 118 LEU C C 118 177.027 175.728 1.299 1
1 1447 . 1 1 1 A 119 119 ARG N N 119 122.979 121.055 1.924 1
1 1448 . 1 1 1 A 119 119 ARG H H 119 8.250 8.437 -0.187 1
1 1449 . 1 1 1 A 119 119 ARG CA C 119 53.688 55.501 -1.813 1
1 1450 . 1 1 1 A 119 119 ARG HA H 119 4.644 4.292 0.352 1
1 1451 . 1 1 1 A 119 119 ARG CB C 119 30.469 30.353 0.116 1
1 1460 . 1 1 1 A 119 119 ARG C C 119 174.019 175.713 -1.694 1
1 1461 . 1 1 1 A 120 120 PRO CA C 120 63.366 62.856 0.510 1
1 1462 . 1 1 1 A 120 120 PRO HA H 120 4.440 4.567 -0.127 1
1 1463 . 1 1 1 A 120 120 PRO CB C 120 31.958 31.763 0.195 1
1 1472 . 1 1 1 A 120 120 PRO C C 120 176.104 177.723 -1.619 1
1 1 . 2 1 1 A 6 6 SER CA C 6 58.867 60.029 -1.162 1
1 2 . 2 1 1 A 6 6 SER HA H 6 4.432 4.597 -0.165 1
1 3 . 2 1 1 A 6 6 SER CB C 6 63.603 64.741 -1.138 1
1 6 . 2 1 1 A 6 6 SER C C 6 175.018 174.577 0.441 1
1 7 . 2 1 1 A 7 7 GLY N N 7 110.530 108.171 2.359 1
1 8 . 2 1 1 A 7 7 GLY H H 7 8.382 7.813 0.569 1
1 9 . 2 1 1 A 7 7 GLY CA C 7 45.311 44.464 0.847 1
1 10 . 2 1 1 A 7 7 GLY HA2 H 7 3.922 4.025 -0.103 1
1 11 . 2 1 1 A 7 7 GLY HA3 H 7 3.922 4.027 -0.105 1
1 12 . 2 1 1 A 7 7 GLY C C 7 173.740 172.694 1.046 1
1 13 . 2 1 1 A 8 8 ASP N N 8 120.471 119.564 0.907 1
1 14 . 2 1 1 A 8 8 ASP H H 8 8.121 8.491 -0.370 1
1 15 . 2 1 1 A 8 8 ASP CA C 8 54.214 54.794 -0.580 1
1 16 . 2 1 1 A 8 8 ASP HA H 8 4.560 4.645 -0.085 1
1 17 . 2 1 1 A 8 8 ASP CB C 8 41.172 41.519 -0.347 1
1 20 . 2 1 1 A 8 8 ASP C C 8 176.082 176.215 -0.133 1
1 21 . 2 1 1 A 9 9 ILE N N 9 121.785 124.051 -2.266 1
1 22 . 2 1 1 A 9 9 ILE H H 9 8.115 8.640 -0.525 1
1 23 . 2 1 1 A 9 9 ILE CA C 9 60.327 60.822 -0.495 1
1 24 . 2 1 1 A 9 9 ILE HA H 9 4.083 4.345 -0.262 1
1 25 . 2 1 1 A 9 9 ILE CB C 9 38.394 37.848 0.546 1
1 38 . 2 1 1 A 9 9 ILE C C 9 175.579 177.637 -2.058 1
1 39 . 2 1 1 A 10 10 ARG N N 10 125.977 125.271 0.706 1
1 40 . 2 1 1 A 10 10 ARG H H 10 8.319 8.783 -0.464 1
1 41 . 2 1 1 A 10 10 ARG CA C 10 54.661 60.911 -6.250 1
1 42 . 2 1 1 A 10 10 ARG HA H 10 4.493 3.985 0.508 1
1 43 . 2 1 1 A 10 10 ARG CB C 10 29.730 29.616 0.114 1
1 52 . 2 1 1 A 10 10 ARG C C 10 175.511 175.775 -0.264 1
1 53 . 2 1 1 A 11 11 PRO CA C 11 65.595 66.256 -0.661 1
1 54 . 2 1 1 A 11 11 PRO HA H 11 4.064 4.253 -0.189 1
1 55 . 2 1 1 A 11 11 PRO CB C 11 31.690 30.550 1.140 1
1 64 . 2 1 1 A 12 12 SER CA C 12 60.656 61.528 -0.872 1
1 65 . 2 1 1 A 12 12 SER HA H 12 4.194 4.142 0.052 1
1 66 . 2 1 1 A 12 12 SER CB C 12 62.321 62.803 -0.482 1
1 69 . 2 1 1 A 13 13 LYS H H 13 7.510 7.746 -0.236 1
1 70 . 2 1 1 A 13 13 LYS CA C 13 58.585 59.447 -0.862 1
1 71 . 2 1 1 A 13 13 LYS HA H 13 4.186 4.158 0.028 1
1 72 . 2 1 1 A 13 13 LYS CB C 13 32.274 32.212 0.062 1
1 84 . 2 1 1 A 13 13 LYS C C 13 179.028 178.375 0.653 1
1 85 . 2 1 1 A 14 14 LEU N N 14 121.315 120.612 0.703 1
1 86 . 2 1 1 A 14 14 LEU H H 14 7.968 8.084 -0.116 1
1 87 . 2 1 1 A 14 14 LEU CA C 14 57.648 58.183 -0.535 1
1 88 . 2 1 1 A 14 14 LEU HA H 14 3.889 3.782 0.107 1
1 89 . 2 1 1 A 14 14 LEU CB C 14 42.171 41.430 0.741 1
1 102 . 2 1 1 A 14 14 LEU C C 14 178.689 178.393 0.296 1
1 103 . 2 1 1 A 15 15 LEU N N 15 120.526 119.822 0.704 1
1 104 . 2 1 1 A 15 15 LEU H H 15 8.546 7.996 0.550 1
1 105 . 2 1 1 A 15 15 LEU CA C 15 59.227 58.517 0.710 1
1 106 . 2 1 1 A 15 15 LEU HA H 15 4.038 4.093 -0.055 1
1 107 . 2 1 1 A 15 15 LEU CB C 15 40.993 41.690 -0.697 1
1 120 . 2 1 1 A 15 15 LEU C C 15 178.020 178.687 -0.667 1
1 121 . 2 1 1 A 16 16 THR N N 16 114.667 113.788 0.879 1
1 122 . 2 1 1 A 16 16 THR H H 16 7.945 7.569 0.376 1
1 123 . 2 1 1 A 16 16 THR CA C 16 66.778 66.704 0.074 1
1 124 . 2 1 1 A 16 16 THR HA H 16 4.162 3.916 0.246 1
1 125 . 2 1 1 A 16 16 THR CB C 16 68.914 68.612 0.302 1
1 131 . 2 1 1 A 16 16 THR C C 16 176.419 176.676 -0.257 1
1 132 . 2 1 1 A 17 17 TRP N N 17 122.548 120.994 1.554 1
1 133 . 2 1 1 A 17 17 TRP H H 17 8.242 8.156 0.086 1
1 134 . 2 1 1 A 17 17 TRP CA C 17 63.006 61.396 1.610 1
1 135 . 2 1 1 A 17 17 TRP HA H 17 4.442 4.254 0.188 1
1 136 . 2 1 1 A 17 17 TRP CB C 17 28.530 29.837 -1.307 1
1 151 . 2 1 1 A 17 17 TRP C C 17 178.678 178.634 0.044 1
1 152 . 2 1 1 A 18 18 CYS N N 18 117.202 117.087 0.115 1
1 153 . 2 1 1 A 18 18 CYS H H 18 8.993 8.464 0.529 1
1 154 . 2 1 1 A 18 18 CYS CA C 18 64.830 63.538 1.292 1
1 155 . 2 1 1 A 18 18 CYS HA H 18 3.855 4.025 -0.170 1
1 156 . 2 1 1 A 18 18 CYS CB C 18 27.945 27.790 0.155 1
1 159 . 2 1 1 A 18 18 CYS C C 18 178.411 177.281 1.130 1
1 160 . 2 1 1 A 19 19 GLN N N 19 120.296 119.292 1.004 1
1 161 . 2 1 1 A 19 19 GLN H H 19 8.696 8.444 0.252 1
1 162 . 2 1 1 A 19 19 GLN CA C 19 59.705 58.806 0.899 1
1 163 . 2 1 1 A 19 19 GLN HA H 19 3.654 4.010 -0.356 1
1 164 . 2 1 1 A 19 19 GLN CB C 19 27.820 28.692 -0.872 1
1 173 . 2 1 1 A 19 19 GLN C C 19 177.957 178.576 -0.619 1
1 174 . 2 1 1 A 20 20 GLN N N 20 119.247 119.255 -0.008 1
1 175 . 2 1 1 A 20 20 GLN H H 20 8.306 8.112 0.194 1
1 176 . 2 1 1 A 20 20 GLN CA C 20 58.838 58.908 -0.070 1
1 177 . 2 1 1 A 20 20 GLN HA H 20 4.016 3.967 0.049 1
1 178 . 2 1 1 A 20 20 GLN CB C 20 28.000 28.406 -0.406 1
1 187 . 2 1 1 A 20 20 GLN C C 20 179.476 178.629 0.847 1
1 188 . 2 1 1 A 21 21 GLN N N 21 113.337 118.951 -5.614 1
1 189 . 2 1 1 A 21 21 GLN H H 21 7.999 7.829 0.170 1
1 190 . 2 1 1 A 21 21 GLN CA C 21 55.909 59.071 -3.162 1
1 191 . 2 1 1 A 21 21 GLN HA H 21 4.043 3.714 0.329 1
1 192 . 2 1 1 A 21 21 GLN CB C 21 27.676 27.861 -0.185 1
1 201 . 2 1 1 A 21 21 GLN C C 21 177.394 178.518 -1.124 1
1 202 . 2 1 1 A 22 22 THR N N 22 103.485 111.736 -8.251 1
1 203 . 2 1 1 A 22 22 THR H H 22 7.119 7.693 -0.574 1
1 204 . 2 1 1 A 22 22 THR CA C 22 61.272 65.465 -4.193 1
1 205 . 2 1 1 A 22 22 THR HA H 22 4.092 3.736 0.356 1
1 206 . 2 1 1 A 22 22 THR CB C 22 69.448 68.072 1.376 1
1 212 . 2 1 1 A 22 22 THR C C 22 174.644 174.786 -0.142 1
1 213 . 2 1 1 A 23 23 GLU N N 23 125.366 122.234 3.132 1
1 214 . 2 1 1 A 23 23 GLU H H 23 6.949 8.084 -1.135 1
1 215 . 2 1 1 A 23 23 GLU CA C 23 58.389 58.528 -0.139 1
1 216 . 2 1 1 A 23 23 GLU HA H 23 3.999 3.945 0.054 1
1 217 . 2 1 1 A 23 23 GLU CB C 23 29.683 29.517 0.166 1
1 223 . 2 1 1 A 23 23 GLU C C 23 177.061 177.362 -0.301 1
1 224 . 2 1 1 A 24 24 GLY N N 24 112.717 115.250 -2.533 1
1 225 . 2 1 1 A 24 24 GLY H H 24 8.732 8.912 -0.180 1
1 226 . 2 1 1 A 24 24 GLY CA C 24 45.326 45.094 0.232 1
1 227 . 2 1 1 A 24 24 GLY HA2 H 24 3.988 3.956 0.032 1
1 228 . 2 1 1 A 24 24 GLY HA3 H 24 3.538 3.960 -0.422 1
1 229 . 2 1 1 A 24 24 GLY C C 24 174.531 174.476 0.055 1
1 230 . 2 1 1 A 25 25 TYR N N 25 120.189 119.745 0.444 1
1 231 . 2 1 1 A 25 25 TYR H H 25 7.488 7.841 -0.353 1
1 232 . 2 1 1 A 25 25 TYR CA C 25 59.028 58.012 1.016 1
1 233 . 2 1 1 A 25 25 TYR HA H 25 3.947 4.441 -0.494 1
1 234 . 2 1 1 A 25 25 TYR CB C 25 37.202 38.871 -1.669 1
1 245 . 2 1 1 A 25 25 TYR C C 25 176.354 175.405 0.949 1
1 246 . 2 1 1 A 26 26 GLN N N 26 125.301 120.878 4.423 1
1 247 . 2 1 1 A 26 26 GLN H H 26 8.877 8.482 0.395 1
1 248 . 2 1 1 A 26 26 GLN CA C 26 56.923 54.650 2.273 1
1 249 . 2 1 1 A 26 26 GLN HA H 26 3.866 4.535 -0.669 1
1 250 . 2 1 1 A 26 26 GLN CB C 26 28.808 30.652 -1.844 1
1 259 . 2 1 1 A 26 26 GLN C C 26 175.582 175.780 -0.198 1
1 260 . 2 1 1 A 27 27 HIS N N 27 111.738 115.659 -3.921 1
1 261 . 2 1 1 A 27 27 HIS H H 27 8.581 8.336 0.245 1
1 262 . 2 1 1 A 27 27 HIS CA C 27 56.937 56.829 0.108 1
1 263 . 2 1 1 A 27 27 HIS HA H 27 4.174 4.051 0.123 1
1 264 . 2 1 1 A 27 27 HIS CB C 27 26.839 26.958 -0.119 1
1 271 . 2 1 1 A 27 27 HIS C C 27 172.979 174.129 -1.150 1
1 272 . 2 1 1 A 28 28 VAL N N 28 118.229 118.852 -0.623 1
1 273 . 2 1 1 A 28 28 VAL H H 28 7.377 7.585 -0.208 1
1 274 . 2 1 1 A 28 28 VAL CA C 28 61.927 61.510 0.417 1
1 275 . 2 1 1 A 28 28 VAL HA H 28 3.922 4.238 -0.316 1
1 276 . 2 1 1 A 28 28 VAL CB C 28 33.373 32.692 0.681 1
1 286 . 2 1 1 A 28 28 VAL C C 28 174.687 173.484 1.203 1
1 287 . 2 1 1 A 29 29 ASN N N 29 125.832 127.880 -2.048 1
1 288 . 2 1 1 A 29 29 ASN H H 29 8.604 9.101 -0.497 1
1 289 . 2 1 1 A 29 29 ASN CA C 29 52.651 51.821 0.830 1
1 290 . 2 1 1 A 29 29 ASN HA H 29 4.682 5.322 -0.640 1
1 291 . 2 1 1 A 29 29 ASN CB C 29 39.124 39.645 -0.521 1
1 297 . 2 1 1 A 29 29 ASN C C 29 173.380 173.687 -0.307 1
1 298 . 2 1 1 A 30 30 VAL N N 30 125.146 126.851 -1.705 1
1 299 . 2 1 1 A 30 30 VAL H H 30 9.203 8.868 0.335 1
1 300 . 2 1 1 A 30 30 VAL CA C 30 63.838 62.629 1.209 1
1 301 . 2 1 1 A 30 30 VAL HA H 30 3.699 4.128 -0.429 1
1 302 . 2 1 1 A 30 30 VAL CB C 30 31.136 31.419 -0.283 1
1 312 . 2 1 1 A 30 30 VAL C C 30 176.046 176.361 -0.315 1
1 313 . 2 1 1 A 31 31 THR N N 31 118.952 118.227 0.725 1
1 314 . 2 1 1 A 31 31 THR H H 31 8.396 8.706 -0.310 1
1 315 . 2 1 1 A 31 31 THR CA C 31 60.985 62.105 -1.120 1
1 316 . 2 1 1 A 31 31 THR HA H 31 4.316 4.622 -0.306 1
1 317 . 2 1 1 A 31 31 THR CB C 31 70.087 70.281 -0.194 1
1 323 . 2 1 1 A 31 31 THR C C 31 173.296 174.676 -1.380 1
1 324 . 2 1 1 A 32 32 ASP N N 32 120.757 120.639 0.118 1
1 325 . 2 1 1 A 32 32 ASP H H 32 8.078 7.495 0.583 1
1 326 . 2 1 1 A 32 32 ASP CA C 32 53.069 53.026 0.043 1
1 327 . 2 1 1 A 32 32 ASP HA H 32 4.536 5.123 -0.587 1
1 328 . 2 1 1 A 32 32 ASP CB C 32 41.527 43.880 -2.353 1
1 331 . 2 1 1 A 32 32 ASP C C 32 174.931 175.341 -0.410 1
1 332 . 2 1 1 A 33 33 LEU N N 33 117.024 120.419 -3.395 1
1 333 . 2 1 1 A 33 33 LEU H H 33 8.733 8.553 0.180 1
1 334 . 2 1 1 A 33 33 LEU CA C 33 54.453 54.321 0.132 1
1 335 . 2 1 1 A 33 33 LEU HA H 33 4.834 4.906 -0.072 1
1 336 . 2 1 1 A 33 33 LEU CB C 33 41.867 42.023 -0.156 1
1 349 . 2 1 1 A 33 33 LEU C C 33 174.039 177.049 -3.010 1
1 350 . 2 1 1 A 34 34 THR N N 34 103.873 112.330 -8.457 1
1 351 . 2 1 1 A 34 34 THR H H 34 7.900 7.965 -0.065 1
1 352 . 2 1 1 A 34 34 THR CA C 34 60.434 62.371 -1.937 1
1 353 . 2 1 1 A 34 34 THR HA H 34 4.519 4.685 -0.166 1
1 354 . 2 1 1 A 34 34 THR CB C 34 70.237 70.395 -0.158 1
1 360 . 2 1 1 A 34 34 THR C C 34 175.954 175.937 0.017 1
1 361 . 2 1 1 A 35 35 THR N N 35 118.103 113.270 4.833 1
1 362 . 2 1 1 A 35 35 THR H H 35 9.363 8.181 1.182 1
1 363 . 2 1 1 A 35 35 THR CA C 35 66.422 63.907 2.515 1
1 364 . 2 1 1 A 35 35 THR HA H 35 3.981 4.383 -0.402 1
1 365 . 2 1 1 A 35 35 THR CB C 35 68.720 69.397 -0.677 1
1 371 . 2 1 1 A 35 35 THR C C 35 177.778 176.737 1.041 1
1 372 . 2 1 1 A 36 36 SER N N 36 120.417 116.307 4.110 1
1 373 . 2 1 1 A 36 36 SER H H 36 10.544 8.341 2.203 1
1 374 . 2 1 1 A 36 36 SER CA C 36 61.076 62.220 -1.144 1
1 375 . 2 1 1 A 36 36 SER HA H 36 4.395 4.179 0.216 1
1 376 . 2 1 1 A 36 36 SER CB C 36 63.485 63.102 0.383 1
1 379 . 2 1 1 A 36 36 SER C C 36 173.956 175.464 -1.508 1
1 380 . 2 1 1 A 37 37 TRP N N 37 121.387 118.776 2.611 1
1 381 . 2 1 1 A 37 37 TRP H H 37 8.126 8.162 -0.036 1
1 382 . 2 1 1 A 37 37 TRP CA C 37 57.689 56.380 1.309 1
1 383 . 2 1 1 A 37 37 TRP HA H 37 4.340 5.110 -0.770 1
1 384 . 2 1 1 A 37 37 TRP CB C 37 28.915 29.111 -0.196 1
1 399 . 2 1 1 A 37 37 TRP C C 37 176.751 176.706 0.045 1
1 400 . 2 1 1 A 38 38 ARG N N 38 121.787 119.322 2.465 1
1 401 . 2 1 1 A 38 38 ARG H H 38 7.473 8.169 -0.696 1
1 402 . 2 1 1 A 38 38 ARG CA C 38 60.250 58.824 1.426 1
1 403 . 2 1 1 A 38 38 ARG HA H 38 4.065 4.209 -0.144 1
1 404 . 2 1 1 A 38 38 ARG CB C 38 30.807 30.196 0.611 1
1 415 . 2 1 1 A 38 38 ARG C C 38 177.636 178.402 -0.766 1
1 416 . 2 1 1 A 39 39 SER N N 39 110.340 114.409 -4.069 1
1 417 . 2 1 1 A 39 39 SER H H 39 8.665 7.720 0.945 1
1 418 . 2 1 1 A 39 39 SER CA C 39 59.336 59.034 0.302 1
1 419 . 2 1 1 A 39 39 SER HA H 39 4.349 4.521 -0.172 1
1 420 . 2 1 1 A 39 39 SER CB C 39 64.907 64.040 0.867 1
1 423 . 2 1 1 A 39 39 SER C C 39 174.768 174.667 0.101 1
1 424 . 2 1 1 A 40 40 GLY N N 40 109.467 108.812 0.655 1
1 425 . 2 1 1 A 40 40 GLY H H 40 7.549 7.880 -0.331 1
1 426 . 2 1 1 A 40 40 GLY CA C 40 46.347 45.342 1.005 1
1 427 . 2 1 1 A 40 40 GLY HA2 H 40 3.875 3.920 -0.045 1
1 428 . 2 1 1 A 40 40 GLY HA3 H 40 3.915 3.982 -0.067 1
1 429 . 2 1 1 A 40 40 GLY C C 40 173.725 176.018 -2.293 1
1 430 . 2 1 1 A 41 41 LEU N N 41 117.562 121.850 -4.288 1
1 431 . 2 1 1 A 41 41 LEU H H 41 7.287 8.223 -0.936 1
1 432 . 2 1 1 A 41 41 LEU CA C 41 57.482 58.235 -0.753 1
1 433 . 2 1 1 A 41 41 LEU HA H 41 3.882 4.049 -0.167 1
1 434 . 2 1 1 A 41 41 LEU CB C 41 42.615 41.779 0.836 1
1 447 . 2 1 1 A 41 41 LEU C C 41 178.159 178.811 -0.652 1
1 448 . 2 1 1 A 42 42 ALA N N 42 121.758 120.711 1.047 1
1 449 . 2 1 1 A 42 42 ALA H H 42 8.506 8.223 0.283 1
1 450 . 2 1 1 A 42 42 ALA CA C 42 55.694 54.984 0.710 1
1 451 . 2 1 1 A 42 42 ALA HA H 42 3.582 3.730 -0.148 1
1 452 . 2 1 1 A 42 42 ALA CB C 42 17.039 17.787 -0.748 1
1 456 . 2 1 1 A 42 42 ALA C C 42 178.076 179.255 -1.179 1
1 457 . 2 1 1 A 43 43 LEU N N 43 118.332 118.875 -0.543 1
1 458 . 2 1 1 A 43 43 LEU H H 43 8.933 7.789 1.144 1
1 459 . 2 1 1 A 43 43 LEU CA C 43 57.425 58.111 -0.686 1
1 460 . 2 1 1 A 43 43 LEU HA H 43 4.308 4.303 0.005 1
1 461 . 2 1 1 A 43 43 LEU CB C 43 42.068 42.124 -0.056 1
1 474 . 2 1 1 A 43 43 LEU C C 43 179.198 178.492 0.706 1
1 475 . 2 1 1 A 44 44 CYS N N 44 115.098 116.948 -1.850 1
1 476 . 2 1 1 A 44 44 CYS H H 44 7.607 8.353 -0.746 1
1 477 . 2 1 1 A 44 44 CYS CA C 44 65.664 62.637 3.027 1
1 478 . 2 1 1 A 44 44 CYS HA H 44 4.035 4.136 -0.101 1
1 479 . 2 1 1 A 44 44 CYS CB C 44 27.516 26.935 0.581 1
1 482 . 2 1 1 A 44 44 CYS C C 44 176.222 177.411 -1.189 1
1 483 . 2 1 1 A 45 45 ALA N N 45 121.778 121.623 0.155 1
1 484 . 2 1 1 A 45 45 ALA H H 45 8.435 8.195 0.240 1
1 485 . 2 1 1 A 45 45 ALA CA C 45 55.306 54.760 0.546 1
1 486 . 2 1 1 A 45 45 ALA HA H 45 3.184 3.737 -0.553 1
1 487 . 2 1 1 A 45 45 ALA CB C 45 17.395 17.731 -0.336 1
1 491 . 2 1 1 A 45 45 ALA C C 45 177.510 179.648 -2.138 1
1 492 . 2 1 1 A 46 46 ILE N N 46 116.463 118.036 -1.573 1
1 493 . 2 1 1 A 46 46 ILE H H 46 7.527 7.911 -0.384 1
1 494 . 2 1 1 A 46 46 ILE CA C 46 65.137 65.112 0.025 1
1 495 . 2 1 1 A 46 46 ILE HA H 46 3.267 3.567 -0.300 1
1 496 . 2 1 1 A 46 46 ILE CB C 46 37.084 38.247 -1.163 1
1 509 . 2 1 1 A 46 46 ILE C C 46 176.744 178.661 -1.917 1
1 510 . 2 1 1 A 47 47 ILE N N 47 115.676 120.043 -4.367 1
1 511 . 2 1 1 A 47 47 ILE H H 47 7.786 7.786 0.000 1
1 512 . 2 1 1 A 47 47 ILE CA C 47 66.948 65.174 1.774 1
1 513 . 2 1 1 A 47 47 ILE HA H 47 3.754 3.801 -0.047 1
1 514 . 2 1 1 A 47 47 ILE CB C 47 38.335 38.035 0.300 1
1 527 . 2 1 1 A 47 47 ILE C C 47 176.853 178.114 -1.261 1
1 528 . 2 1 1 A 48 48 HIS N N 48 120.066 120.191 -0.125 1
1 529 . 2 1 1 A 48 48 HIS H H 48 8.569 8.776 -0.207 1
1 530 . 2 1 1 A 48 48 HIS CA C 48 60.767 60.114 0.653 1
1 531 . 2 1 1 A 48 48 HIS HA H 48 3.918 4.223 -0.305 1
1 532 . 2 1 1 A 48 48 HIS CB C 48 31.245 30.174 1.071 1
1 539 . 2 1 1 A 48 48 HIS C C 48 175.841 176.955 -1.114 1
1 540 . 2 1 1 A 49 49 ARG N N 49 118.781 117.827 0.954 1
1 541 . 2 1 1 A 49 49 ARG H H 49 8.572 8.400 0.172 1
1 542 . 2 1 1 A 49 49 ARG CA C 49 58.152 59.265 -1.113 1
1 543 . 2 1 1 A 49 49 ARG HA H 49 3.680 4.007 -0.327 1
1 544 . 2 1 1 A 49 49 ARG CB C 49 28.454 30.102 -1.648 1
1 555 . 2 1 1 A 49 49 ARG C C 49 177.830 179.144 -1.314 1
1 556 . 2 1 1 A 50 50 PHE N N 50 113.909 117.852 -3.943 1
1 557 . 2 1 1 A 50 50 PHE H H 50 6.900 7.845 -0.945 1
1 558 . 2 1 1 A 50 50 PHE CA C 50 59.885 60.375 -0.490 1
1 559 . 2 1 1 A 50 50 PHE HA H 50 4.281 4.279 0.002 1
1 560 . 2 1 1 A 50 50 PHE CB C 50 41.527 38.702 2.825 1
1 573 . 2 1 1 A 50 50 PHE C C 50 176.867 176.074 0.793 1
1 574 . 2 1 1 A 51 51 ARG N N 51 120.652 119.073 1.579 1
1 575 . 2 1 1 A 51 51 ARG H H 51 9.059 8.335 0.724 1
1 576 . 2 1 1 A 51 51 ARG CA C 51 51.499 53.693 -2.194 1
1 577 . 2 1 1 A 51 51 ARG HA H 51 4.942 4.820 0.122 1
1 578 . 2 1 1 A 51 51 ARG CB C 51 30.307 30.872 -0.565 1
1 589 . 2 1 1 A 51 51 ARG C C 51 172.670 174.589 -1.919 1
1 590 . 2 1 1 A 52 52 PRO CA C 52 64.948 64.543 0.405 1
1 591 . 2 1 1 A 52 52 PRO HA H 52 4.343 4.451 -0.108 1
1 592 . 2 1 1 A 52 52 PRO CB C 52 31.091 31.862 -0.771 1
1 601 . 2 1 1 A 52 52 PRO C C 52 177.406 177.999 -0.593 1
1 602 . 2 1 1 A 53 53 GLU N N 53 118.219 116.114 2.105 1
1 603 . 2 1 1 A 53 53 GLU H H 53 9.784 9.012 0.772 1
1 604 . 2 1 1 A 53 53 GLU CA C 53 57.285 58.850 -1.565 1
1 605 . 2 1 1 A 53 53 GLU HA H 53 4.322 4.154 0.168 1
1 606 . 2 1 1 A 53 53 GLU CB C 53 27.771 28.532 -0.761 1
1 612 . 2 1 1 A 53 53 GLU C C 53 177.957 179.154 -1.197 1
1 613 . 2 1 1 A 54 54 LEU N N 54 119.316 118.816 0.500 1
1 614 . 2 1 1 A 54 54 LEU H H 54 8.212 7.268 0.944 1
1 615 . 2 1 1 A 54 54 LEU CA C 54 55.943 57.617 -1.674 1
1 616 . 2 1 1 A 54 54 LEU HA H 54 4.337 4.224 0.113 1
1 617 . 2 1 1 A 54 54 LEU CB C 54 43.122 42.072 1.050 1
1 630 . 2 1 1 A 54 54 LEU C C 54 177.159 176.793 0.366 1
1 631 . 2 1 1 A 55 55 ILE N N 55 115.493 117.906 -2.413 1
1 632 . 2 1 1 A 55 55 ILE H H 55 6.990 7.596 -0.606 1
1 633 . 2 1 1 A 55 55 ILE CA C 55 59.645 59.864 -0.219 1
1 634 . 2 1 1 A 55 55 ILE HA H 55 4.230 4.695 -0.465 1
1 635 . 2 1 1 A 55 55 ILE CB C 55 43.159 40.253 2.906 1
1 648 . 2 1 1 A 55 55 ILE C C 55 173.302 174.788 -1.486 1
1 649 . 2 1 1 A 56 56 ASN N N 56 124.568 124.808 -0.240 1
1 650 . 2 1 1 A 56 56 ASN H H 56 8.984 8.789 0.195 1
1 651 . 2 1 1 A 56 56 ASN CA C 56 51.198 51.371 -0.173 1
1 652 . 2 1 1 A 56 56 ASN HA H 56 5.100 5.115 -0.015 1
1 653 . 2 1 1 A 56 56 ASN CB C 56 36.452 38.943 -2.491 1
1 659 . 2 1 1 A 56 56 ASN C C 56 175.902 175.354 0.548 1
1 660 . 2 1 1 A 57 57 PHE N N 57 126.548 126.023 0.525 1
1 661 . 2 1 1 A 57 57 PHE H H 57 7.219 8.558 -1.339 1
1 662 . 2 1 1 A 57 57 PHE CA C 57 62.399 62.029 0.370 1
1 663 . 2 1 1 A 57 57 PHE HA H 57 3.514 3.894 -0.380 1
1 664 . 2 1 1 A 57 57 PHE CB C 57 39.553 39.466 0.087 1
1 677 . 2 1 1 A 57 57 PHE C C 57 176.597 176.552 0.045 1
1 678 . 2 1 1 A 58 58 ASP N N 58 116.755 118.567 -1.812 1
1 679 . 2 1 1 A 58 58 ASP H H 58 8.691 8.317 0.374 1
1 680 . 2 1 1 A 58 58 ASP CA C 58 56.635 57.359 -0.724 1
1 681 . 2 1 1 A 58 58 ASP HA H 58 4.324 4.331 -0.007 1
1 682 . 2 1 1 A 58 58 ASP CB C 58 40.262 40.227 0.035 1
1 685 . 2 1 1 A 58 58 ASP C C 58 176.562 178.486 -1.924 1
1 686 . 2 1 1 A 59 59 SER N N 59 112.320 114.129 -1.809 1
1 687 . 2 1 1 A 59 59 SER H H 59 7.412 7.902 -0.490 1
1 688 . 2 1 1 A 59 59 SER CA C 59 58.740 61.211 -2.471 1
1 689 . 2 1 1 A 59 59 SER HA H 59 4.365 4.284 0.081 1
1 690 . 2 1 1 A 59 59 SER CB C 59 64.598 62.773 1.825 1
1 693 . 2 1 1 A 59 59 SER C C 59 174.309 174.821 -0.512 1
1 694 . 2 1 1 A 60 60 LEU N N 60 121.693 121.554 0.139 1
1 695 . 2 1 1 A 60 60 LEU H H 60 7.176 7.165 0.011 1
1 696 . 2 1 1 A 60 60 LEU CA C 60 54.593 55.645 -1.052 1
1 697 . 2 1 1 A 60 60 LEU HA H 60 4.196 3.954 0.242 1
1 698 . 2 1 1 A 60 60 LEU CB C 60 40.943 41.696 -0.753 1
1 711 . 2 1 1 A 60 60 LEU C C 60 176.774 175.903 0.871 1
1 712 . 2 1 1 A 61 61 ASN N N 61 121.648 124.436 -2.788 1
1 713 . 2 1 1 A 61 61 ASN H H 61 9.391 8.343 1.048 1
1 714 . 2 1 1 A 61 61 ASN CA C 61 51.763 51.619 0.144 1
1 715 . 2 1 1 A 61 61 ASN HA H 61 4.721 4.975 -0.254 1
1 716 . 2 1 1 A 61 61 ASN CB C 61 40.025 40.576 -0.551 1
1 722 . 2 1 1 A 61 61 ASN C C 61 176.599 175.719 0.880 1
1 723 . 2 1 1 A 62 62 GLU N N 62 126.707 124.664 2.043 1
1 724 . 2 1 1 A 62 62 GLU H H 62 9.255 8.888 0.367 1
1 725 . 2 1 1 A 62 62 GLU CA C 62 58.926 60.092 -1.166 1
1 726 . 2 1 1 A 62 62 GLU HA H 62 3.688 3.911 -0.223 1
1 727 . 2 1 1 A 62 62 GLU CB C 62 29.479 29.393 0.086 1
1 733 . 2 1 1 A 62 62 GLU C C 62 176.196 178.054 -1.858 1
1 734 . 2 1 1 A 63 63 ASP N N 63 116.763 119.565 -2.802 1
1 735 . 2 1 1 A 63 63 ASP H H 63 8.317 7.906 0.411 1
1 736 . 2 1 1 A 63 63 ASP CA C 63 55.499 57.358 -1.859 1
1 737 . 2 1 1 A 63 63 ASP HA H 63 4.509 4.333 0.176 1
1 738 . 2 1 1 A 63 63 ASP CB C 63 40.697 41.286 -0.589 1
1 741 . 2 1 1 A 63 63 ASP C C 63 177.195 176.766 0.429 1
1 742 . 2 1 1 A 64 64 ASP N N 64 123.036 117.669 5.367 1
1 743 . 2 1 1 A 64 64 ASP H H 64 7.422 8.204 -0.782 1
1 744 . 2 1 1 A 64 64 ASP CA C 64 52.760 52.966 -0.206 1
1 745 . 2 1 1 A 64 64 ASP HA H 64 4.949 4.912 0.037 1
1 746 . 2 1 1 A 64 64 ASP CB C 64 38.920 38.965 -0.045 1
1 749 . 2 1 1 A 64 64 ASP C C 64 174.979 176.066 -1.087 1
1 750 . 2 1 1 A 65 65 ALA N N 65 123.411 125.888 -2.477 1
1 751 . 2 1 1 A 65 65 ALA H H 65 7.527 8.003 -0.476 1
1 752 . 2 1 1 A 65 65 ALA CA C 65 55.750 55.071 0.679 1
1 753 . 2 1 1 A 65 65 ALA HA H 65 4.295 4.155 0.140 1
1 754 . 2 1 1 A 65 65 ALA CB C 65 19.889 18.894 0.995 1
1 758 . 2 1 1 A 65 65 ALA C C 65 181.114 179.482 1.632 1
1 759 . 2 1 1 A 66 66 VAL N N 66 119.151 118.188 0.963 1
1 760 . 2 1 1 A 66 66 VAL H H 66 8.305 8.145 0.160 1
1 761 . 2 1 1 A 66 66 VAL CA C 66 67.423 67.002 0.421 1
1 762 . 2 1 1 A 66 66 VAL HA H 66 3.292 3.533 -0.241 1
1 763 . 2 1 1 A 66 66 VAL CB C 66 31.418 31.627 -0.209 1
1 773 . 2 1 1 A 66 66 VAL C C 66 177.471 177.763 -0.292 1
1 774 . 2 1 1 A 67 67 GLU N N 67 117.895 118.649 -0.754 1
1 775 . 2 1 1 A 67 67 GLU H H 67 8.256 8.312 -0.056 1
1 776 . 2 1 1 A 67 67 GLU CA C 67 59.831 59.789 0.042 1
1 777 . 2 1 1 A 67 67 GLU HA H 67 3.901 3.937 -0.036 1
1 778 . 2 1 1 A 67 67 GLU CB C 67 28.963 29.314 -0.351 1
1 784 . 2 1 1 A 67 67 GLU C C 67 179.796 179.202 0.594 1
1 785 . 2 1 1 A 68 68 ASN N N 68 119.611 118.399 1.212 1
1 786 . 2 1 1 A 68 68 ASN H H 68 9.019 7.958 1.061 1
1 787 . 2 1 1 A 68 68 ASN CA C 68 55.797 56.365 -0.568 1
1 788 . 2 1 1 A 68 68 ASN HA H 68 4.325 4.371 -0.046 1
1 789 . 2 1 1 A 68 68 ASN CB C 68 37.140 38.195 -1.055 1
1 795 . 2 1 1 A 68 68 ASN C C 68 177.193 178.158 -0.965 1
1 796 . 2 1 1 A 69 69 ASN N N 69 115.555 117.890 -2.335 1
1 797 . 2 1 1 A 69 69 ASN H H 69 7.589 8.260 -0.671 1
1 798 . 2 1 1 A 69 69 ASN CA C 69 57.155 56.206 0.949 1
1 799 . 2 1 1 A 69 69 ASN HA H 69 3.880 4.160 -0.280 1
1 800 . 2 1 1 A 69 69 ASN CB C 69 40.785 38.277 2.508 1
1 806 . 2 1 1 A 69 69 ASN C C 69 175.062 177.425 -2.363 1
1 807 . 2 1 1 A 70 70 GLN N N 70 115.794 119.508 -3.714 1
1 808 . 2 1 1 A 70 70 GLN H H 70 8.058 8.125 -0.067 1
1 809 . 2 1 1 A 70 70 GLN CA C 70 58.400 59.003 -0.603 1
1 810 . 2 1 1 A 70 70 GLN HA H 70 3.591 4.284 -0.693 1
1 811 . 2 1 1 A 70 70 GLN CB C 70 29.420 28.548 0.872 1
1 820 . 2 1 1 A 70 70 GLN C C 70 176.954 177.950 -0.996 1
1 821 . 2 1 1 A 71 71 LEU N N 71 118.631 121.106 -2.475 1
1 822 . 2 1 1 A 71 71 LEU H H 71 8.090 8.241 -0.151 1
1 823 . 2 1 1 A 71 71 LEU CA C 71 58.121 58.491 -0.370 1
1 824 . 2 1 1 A 71 71 LEU HA H 71 4.291 4.003 0.288 1
1 825 . 2 1 1 A 71 71 LEU CB C 71 42.100 41.989 0.111 1
1 838 . 2 1 1 A 71 71 LEU C C 71 177.664 178.319 -0.655 1
1 839 . 2 1 1 A 72 72 ALA N N 72 119.977 120.249 -0.272 1
1 840 . 2 1 1 A 72 72 ALA H H 72 7.274 8.024 -0.750 1
1 841 . 2 1 1 A 72 72 ALA CA C 72 55.807 55.277 0.530 1
1 842 . 2 1 1 A 72 72 ALA HA H 72 3.873 4.112 -0.239 1
1 843 . 2 1 1 A 72 72 ALA CB C 72 18.412 18.520 -0.108 1
1 847 . 2 1 1 A 72 72 ALA C C 72 179.676 179.945 -0.269 1
1 848 . 2 1 1 A 73 73 PHE N N 73 115.018 116.150 -1.132 1
1 849 . 2 1 1 A 73 73 PHE H H 73 8.722 7.821 0.901 1
1 850 . 2 1 1 A 73 73 PHE CA C 73 56.889 62.451 -5.562 1
1 851 . 2 1 1 A 73 73 PHE HA H 73 4.848 4.572 0.276 1
1 852 . 2 1 1 A 73 73 PHE CB C 73 37.404 39.084 -1.680 1
1 865 . 2 1 1 A 73 73 PHE C C 73 180.123 178.455 1.668 1
1 866 . 2 1 1 A 74 74 ASP N N 74 122.136 118.700 3.436 1
1 867 . 2 1 1 A 74 74 ASP H H 74 9.262 8.375 0.887 1
1 868 . 2 1 1 A 74 74 ASP CA C 74 57.648 57.474 0.174 1
1 869 . 2 1 1 A 74 74 ASP HA H 74 4.550 4.397 0.153 1
1 870 . 2 1 1 A 74 74 ASP CB C 74 40.073 39.817 0.256 1
1 873 . 2 1 1 A 74 74 ASP C C 74 179.818 178.817 1.001 1
1 874 . 2 1 1 A 75 75 VAL N N 75 122.521 120.494 2.027 1
1 875 . 2 1 1 A 75 75 VAL H H 75 9.080 8.566 0.514 1
1 876 . 2 1 1 A 75 75 VAL CA C 75 66.894 66.494 0.400 1
1 877 . 2 1 1 A 75 75 VAL HA H 75 3.611 3.539 0.072 1
1 878 . 2 1 1 A 75 75 VAL CB C 75 31.943 31.527 0.416 1
1 888 . 2 1 1 A 75 75 VAL C C 75 177.813 178.215 -0.402 1
1 889 . 2 1 1 A 76 76 ALA N N 76 121.109 122.586 -1.477 1
1 890 . 2 1 1 A 76 76 ALA H H 76 8.813 8.654 0.159 1
1 891 . 2 1 1 A 76 76 ALA CA C 76 55.181 55.379 -0.198 1
1 892 . 2 1 1 A 76 76 ALA HA H 76 4.092 4.308 -0.216 1
1 893 . 2 1 1 A 76 76 ALA CB C 76 19.324 18.735 0.589 1
1 897 . 2 1 1 A 76 76 ALA C C 76 180.373 180.291 0.082 1
1 898 . 2 1 1 A 77 77 GLU N N 77 120.309 118.538 1.771 1
1 899 . 2 1 1 A 77 77 GLU H H 77 8.257 8.139 0.118 1
1 900 . 2 1 1 A 77 77 GLU CA C 77 59.818 58.665 1.153 1
1 901 . 2 1 1 A 77 77 GLU HA H 77 3.982 4.244 -0.262 1
1 902 . 2 1 1 A 77 77 GLU CB C 77 30.530 29.804 0.726 1
1 908 . 2 1 1 A 77 77 GLU C C 77 178.591 178.422 0.169 1
1 909 . 2 1 1 A 78 78 ARG N N 78 119.060 119.688 -0.628 1
1 910 . 2 1 1 A 78 78 ARG H H 78 8.325 7.968 0.357 1
1 911 . 2 1 1 A 78 78 ARG CA C 78 59.232 58.210 1.022 1
1 912 . 2 1 1 A 78 78 ARG HA H 78 4.048 4.263 -0.215 1
1 913 . 2 1 1 A 78 78 ARG CB C 78 31.462 30.604 0.858 1
1 924 . 2 1 1 A 78 78 ARG C C 78 178.327 177.815 0.512 1
1 925 . 2 1 1 A 79 79 GLU N N 79 114.012 117.878 -3.866 1
1 926 . 2 1 1 A 79 79 GLU H H 79 8.878 8.393 0.485 1
1 927 . 2 1 1 A 79 79 GLU CA C 79 56.599 58.106 -1.507 1
1 928 . 2 1 1 A 79 79 GLU HA H 79 4.329 4.342 -0.013 1
1 929 . 2 1 1 A 79 79 GLU CB C 79 28.771 30.447 -1.676 1
1 935 . 2 1 1 A 79 79 GLU C C 79 178.301 178.120 0.181 1
1 936 . 2 1 1 A 80 80 PHE N N 80 113.394 116.861 -3.467 1
1 937 . 2 1 1 A 80 80 PHE H H 80 6.906 7.206 -0.300 1
1 938 . 2 1 1 A 80 80 PHE CA C 80 53.518 57.960 -4.442 1
1 939 . 2 1 1 A 80 80 PHE HA H 80 5.246 4.600 0.646 1
1 940 . 2 1 1 A 80 80 PHE CB C 80 39.910 39.419 0.491 1
1 953 . 2 1 1 A 80 80 PHE C C 80 176.487 176.030 0.457 1
1 954 . 2 1 1 A 81 81 GLY N N 81 108.698 109.052 -0.354 1
1 955 . 2 1 1 A 81 81 GLY H H 81 7.352 8.104 -0.752 1
1 956 . 2 1 1 A 81 81 GLY CA C 81 46.520 46.764 -0.244 1
1 957 . 2 1 1 A 81 81 GLY HA2 H 81 3.975 4.020 -0.045 1
1 958 . 2 1 1 A 81 81 GLY HA3 H 81 3.975 4.028 -0.053 1
1 959 . 2 1 1 A 81 81 GLY C C 81 174.711 174.670 0.041 1
1 960 . 2 1 1 A 82 82 ILE N N 82 122.486 122.174 0.312 1
1 961 . 2 1 1 A 82 82 ILE H H 82 7.507 8.150 -0.643 1
1 962 . 2 1 1 A 82 82 ILE CA C 82 58.810 57.930 0.880 1
1 963 . 2 1 1 A 82 82 ILE HA H 82 4.285 4.399 -0.114 1
1 964 . 2 1 1 A 82 82 ILE CB C 82 39.376 38.965 0.411 1
1 977 . 2 1 1 A 82 82 ILE C C 82 172.836 174.862 -2.026 1
1 978 . 2 1 1 A 83 83 PRO CA C 83 60.989 62.089 -1.100 1
1 979 . 2 1 1 A 83 83 PRO HA H 83 4.589 4.702 -0.113 1
1 980 . 2 1 1 A 83 83 PRO CB C 83 31.107 32.319 -1.212 1
1 989 . 2 1 1 A 84 84 PRO CA C 84 62.860 62.511 0.349 1
1 990 . 2 1 1 A 84 84 PRO HA H 84 4.405 4.516 -0.111 1
1 991 . 2 1 1 A 84 84 PRO CB C 84 32.638 31.955 0.683 1
1 1000 . 2 1 1 A 84 84 PRO C C 84 177.894 177.369 0.525 1
1 1001 . 2 1 1 A 85 85 VAL N N 85 114.062 117.070 -3.008 1
1 1002 . 2 1 1 A 85 85 VAL H H 85 6.621 7.968 -1.347 1
1 1003 . 2 1 1 A 85 85 VAL CA C 85 61.000 64.138 -3.138 1
1 1004 . 2 1 1 A 85 85 VAL HA H 85 4.080 3.861 0.219 1
1 1005 . 2 1 1 A 85 85 VAL CB C 85 32.725 32.144 0.581 1
1 1015 . 2 1 1 A 85 85 VAL C C 85 174.315 175.529 -1.214 1
1 1016 . 2 1 1 A 86 86 THR N N 86 114.774 114.541 0.233 1
1 1017 . 2 1 1 A 86 86 THR H H 86 6.827 7.444 -0.617 1
1 1018 . 2 1 1 A 86 86 THR CA C 86 59.336 59.426 -0.090 1
1 1019 . 2 1 1 A 86 86 THR HA H 86 4.442 4.647 -0.205 1
1 1020 . 2 1 1 A 86 86 THR CB C 86 68.016 71.623 -3.607 1
1 1026 . 2 1 1 A 86 86 THR C C 86 172.724 172.684 0.040 1
1 1027 . 2 1 1 A 87 87 THR N N 87 109.655 115.941 -6.286 1
1 1028 . 2 1 1 A 87 87 THR H H 87 8.313 8.516 -0.203 1
1 1029 . 2 1 1 A 87 87 THR CA C 87 59.870 60.351 -0.481 1
1 1030 . 2 1 1 A 87 87 THR HA H 87 5.000 4.645 0.355 1
1 1031 . 2 1 1 A 87 87 THR CB C 87 72.527 70.680 1.847 1
1 1037 . 2 1 1 A 87 87 THR C C 87 176.440 175.844 0.596 1
1 1038 . 2 1 1 A 88 88 GLY N N 88 110.531 110.276 0.255 1
1 1039 . 2 1 1 A 88 88 GLY H H 88 9.655 9.038 0.617 1
1 1040 . 2 1 1 A 88 88 GLY CA C 88 49.124 47.690 1.434 1
1 1041 . 2 1 1 A 88 88 GLY HA2 H 88 4.115 3.967 0.148 1
1 1042 . 2 1 1 A 88 88 GLY HA3 H 88 3.755 4.053 -0.298 1
1 1043 . 2 1 1 A 88 88 GLY C C 88 175.154 175.739 -0.585 1
1 1044 . 2 1 1 A 89 89 LYS N N 89 119.606 121.746 -2.140 1
1 1045 . 2 1 1 A 89 89 LYS H H 89 8.542 8.080 0.462 1
1 1046 . 2 1 1 A 89 89 LYS CA C 89 59.687 59.540 0.147 1
1 1047 . 2 1 1 A 89 89 LYS HA H 89 4.030 4.022 0.008 1
1 1048 . 2 1 1 A 89 89 LYS CB C 89 32.733 32.296 0.437 1
1 1060 . 2 1 1 A 89 89 LYS C C 89 178.921 179.324 -0.403 1
1 1061 . 2 1 1 A 90 90 GLU N N 90 118.992 119.521 -0.529 1
1 1062 . 2 1 1 A 90 90 GLU H H 90 7.610 8.061 -0.451 1
1 1063 . 2 1 1 A 90 90 GLU CA C 90 59.238 59.165 0.073 1
1 1064 . 2 1 1 A 90 90 GLU HA H 90 4.008 4.091 -0.083 1
1 1065 . 2 1 1 A 90 90 GLU CB C 90 29.946 29.938 0.008 1
1 1071 . 2 1 1 A 90 90 GLU C C 90 179.366 178.834 0.532 1
1 1072 . 2 1 1 A 91 91 MET N N 91 120.109 119.655 0.454 1
1 1073 . 2 1 1 A 91 91 MET H H 91 8.468 8.616 -0.148 1
1 1074 . 2 1 1 A 91 91 MET CA C 91 57.606 58.618 -1.012 1
1 1075 . 2 1 1 A 91 91 MET HA H 91 4.355 4.069 0.286 1
1 1076 . 2 1 1 A 91 91 MET CB C 91 32.364 32.172 0.192 1
1 1086 . 2 1 1 A 91 91 MET C C 91 177.168 178.244 -1.076 1
1 1087 . 2 1 1 A 92 92 ALA N N 92 115.912 122.042 -6.130 1
1 1088 . 2 1 1 A 92 92 ALA H H 92 7.876 7.859 0.017 1
1 1089 . 2 1 1 A 92 92 ALA CA C 92 53.278 55.159 -1.881 1
1 1090 . 2 1 1 A 92 92 ALA HA H 92 4.316 4.254 0.062 1
1 1091 . 2 1 1 A 92 92 ALA CB C 92 20.275 18.578 1.697 1
1 1095 . 2 1 1 A 92 92 ALA C C 92 178.672 179.693 -1.021 1
1 1096 . 2 1 1 A 93 93 SER N N 93 111.760 113.158 -1.398 1
1 1097 . 2 1 1 A 93 93 SER H H 93 7.431 8.169 -0.738 1
1 1098 . 2 1 1 A 93 93 SER CA C 93 58.584 61.458 -2.874 1
1 1099 . 2 1 1 A 93 93 SER HA H 93 4.471 4.130 0.341 1
1 1100 . 2 1 1 A 93 93 SER CB C 93 64.582 63.297 1.285 1
1 1103 . 2 1 1 A 93 93 SER C C 93 173.576 175.975 -2.399 1
1 1104 . 2 1 1 A 94 94 ALA N N 94 123.381 122.815 0.566 1
1 1105 . 2 1 1 A 94 94 ALA H H 94 7.903 8.048 -0.145 1
1 1106 . 2 1 1 A 94 94 ALA CA C 94 52.760 52.772 -0.012 1
1 1107 . 2 1 1 A 94 94 ALA HA H 94 4.267 4.158 0.109 1
1 1108 . 2 1 1 A 94 94 ALA CB C 94 18.364 18.926 -0.562 1
1 1112 . 2 1 1 A 94 94 ALA C C 94 177.611 177.876 -0.265 1
1 1113 . 2 1 1 A 95 95 GLN N N 95 120.874 125.159 -4.285 1
1 1114 . 2 1 1 A 95 95 GLN H H 95 8.305 8.663 -0.358 1
1 1115 . 2 1 1 A 95 95 GLN CA C 95 56.821 58.814 -1.993 1
1 1116 . 2 1 1 A 95 95 GLN HA H 95 4.185 4.148 0.037 1
1 1117 . 2 1 1 A 95 95 GLN CB C 95 29.052 29.038 0.014 1
1 1126 . 2 1 1 A 95 95 GLN C C 95 175.975 176.463 -0.488 1
1 1127 . 2 1 1 A 96 96 GLU N N 96 120.251 118.152 2.099 1
1 1128 . 2 1 1 A 96 96 GLU H H 96 8.402 7.954 0.448 1
1 1129 . 2 1 1 A 96 96 GLU CA C 96 54.378 52.965 1.413 1
1 1130 . 2 1 1 A 96 96 GLU HA H 96 4.537 4.651 -0.114 1
1 1131 . 2 1 1 A 96 96 GLU CB C 96 30.216 30.529 -0.313 1
1 1137 . 2 1 1 A 96 96 GLU C C 96 173.618 174.744 -1.126 1
1 1138 . 2 1 1 A 97 97 PRO CA C 97 62.763 62.337 0.426 1
1 1139 . 2 1 1 A 97 97 PRO HA H 97 4.362 4.643 -0.281 1
1 1140 . 2 1 1 A 97 97 PRO CB C 97 32.356 32.990 -0.634 1
1 1149 . 2 1 1 A 97 97 PRO C C 97 174.841 175.372 -0.531 1
1 1150 . 2 1 1 A 98 98 ASP N N 98 120.272 121.070 -0.798 1
1 1151 . 2 1 1 A 98 98 ASP H H 98 8.396 8.696 -0.300 1
1 1152 . 2 1 1 A 98 98 ASP CA C 98 54.555 53.786 0.769 1
1 1153 . 2 1 1 A 98 98 ASP HA H 98 4.409 4.643 -0.234 1
1 1154 . 2 1 1 A 98 98 ASP CB C 98 42.248 40.284 1.964 1
1 1157 . 2 1 1 A 98 98 ASP C C 98 176.253 176.777 -0.524 1
1 1158 . 2 1 1 A 99 99 LYS N N 99 126.808 126.920 -0.112 1
1 1159 . 2 1 1 A 99 99 LYS H H 99 8.454 8.568 -0.114 1
1 1160 . 2 1 1 A 99 99 LYS CA C 99 60.158 60.455 -0.297 1
1 1161 . 2 1 1 A 99 99 LYS HA H 99 3.705 3.811 -0.106 1
1 1162 . 2 1 1 A 99 99 LYS CB C 99 32.832 32.325 0.507 1
1 1174 . 2 1 1 A 99 99 LYS C C 99 177.621 178.149 -0.528 1
1 1175 . 2 1 1 A 100 100 LEU N N 100 118.450 120.018 -1.568 1
1 1176 . 2 1 1 A 100 100 LEU H H 100 8.160 7.995 0.165 1
1 1177 . 2 1 1 A 100 100 LEU CA C 100 58.094 57.803 0.291 1
1 1178 . 2 1 1 A 100 100 LEU HA H 100 4.020 3.964 0.056 1
1 1179 . 2 1 1 A 100 100 LEU CB C 100 40.800 41.718 -0.918 1
1 1192 . 2 1 1 A 100 100 LEU C C 100 179.776 178.747 1.029 1
1 1193 . 2 1 1 A 101 101 SER N N 101 115.644 113.678 1.966 1
1 1194 . 2 1 1 A 101 101 SER H H 101 8.047 8.084 -0.037 1
1 1195 . 2 1 1 A 101 101 SER CA C 101 61.765 62.117 -0.352 1
1 1196 . 2 1 1 A 101 101 SER HA H 101 4.174 4.096 0.078 1
1 1197 . 2 1 1 A 101 101 SER CB C 101 62.609 62.789 -0.180 1
1 1200 . 2 1 1 A 101 101 SER C C 101 176.476 176.550 -0.074 1
1 1201 . 2 1 1 A 102 102 MET N N 102 120.653 119.718 0.935 1
1 1202 . 2 1 1 A 102 102 MET H H 102 8.027 8.036 -0.009 1
1 1203 . 2 1 1 A 102 102 MET CA C 102 56.380 58.349 -1.969 1
1 1204 . 2 1 1 A 102 102 MET HA H 102 4.508 4.158 0.350 1
1 1205 . 2 1 1 A 102 102 MET CB C 102 30.731 33.051 -2.320 1
1 1215 . 2 1 1 A 102 102 MET C C 102 178.903 178.427 0.476 1
1 1216 . 2 1 1 A 103 103 VAL N N 103 119.836 119.640 0.196 1
1 1217 . 2 1 1 A 103 103 VAL H H 103 8.556 8.336 0.220 1
1 1218 . 2 1 1 A 103 103 VAL CA C 103 67.049 66.602 0.447 1
1 1219 . 2 1 1 A 103 103 VAL HA H 103 3.370 3.510 -0.140 1
1 1220 . 2 1 1 A 103 103 VAL CB C 103 31.583 31.478 0.105 1
1 1230 . 2 1 1 A 103 103 VAL C C 103 179.225 177.798 1.427 1
1 1231 . 2 1 1 A 104 104 MET N N 104 120.390 118.900 1.490 1
1 1232 . 2 1 1 A 104 104 MET H H 104 8.112 8.828 -0.716 1
1 1233 . 2 1 1 A 104 104 MET CA C 104 58.991 58.432 0.559 1
1 1234 . 2 1 1 A 104 104 MET HA H 104 4.047 4.214 -0.167 1
1 1235 . 2 1 1 A 104 104 MET CB C 104 31.979 32.415 -0.436 1
1 1245 . 2 1 1 A 104 104 MET C C 104 178.210 178.033 0.177 1
1 1246 . 2 1 1 A 105 105 TYR N N 105 120.956 121.976 -1.020 1
1 1247 . 2 1 1 A 105 105 TYR H H 105 8.185 7.819 0.366 1
1 1248 . 2 1 1 A 105 105 TYR CA C 105 61.449 61.532 -0.083 1
1 1249 . 2 1 1 A 105 105 TYR HA H 105 4.317 4.117 0.200 1
1 1250 . 2 1 1 A 105 105 TYR CB C 105 40.259 38.554 1.705 1
1 1261 . 2 1 1 A 105 105 TYR C C 105 177.805 177.229 0.576 1
1 1262 . 2 1 1 A 106 106 LEU N N 106 116.468 120.916 -4.448 1
1 1263 . 2 1 1 A 106 106 LEU H H 106 9.088 8.731 0.357 1
1 1264 . 2 1 1 A 106 106 LEU CA C 106 57.744 58.246 -0.502 1
1 1265 . 2 1 1 A 106 106 LEU HA H 106 4.139 4.007 0.132 1
1 1266 . 2 1 1 A 106 106 LEU CB C 106 42.285 41.490 0.795 1
1 1279 . 2 1 1 A 106 106 LEU C C 106 180.758 178.911 1.847 1
1 1280 . 2 1 1 A 107 107 SER N N 107 114.570 114.022 0.548 1
1 1281 . 2 1 1 A 107 107 SER H H 107 8.338 7.977 0.361 1
1 1282 . 2 1 1 A 107 107 SER CA C 107 63.030 62.187 0.843 1
1 1283 . 2 1 1 A 107 107 SER HA H 107 4.016 4.030 -0.014 1
1 1284 . 2 1 1 A 107 107 SER CB C 107 62.866 62.812 0.054 1
1 1287 . 2 1 1 A 107 107 SER C C 107 175.377 176.245 -0.868 1
1 1288 . 2 1 1 A 108 108 LYS N N 108 120.221 121.396 -1.175 1
1 1289 . 2 1 1 A 108 108 LYS H H 108 7.522 8.267 -0.745 1
1 1290 . 2 1 1 A 108 108 LYS CA C 108 58.870 58.632 0.238 1
1 1291 . 2 1 1 A 108 108 LYS HA H 108 3.910 3.774 0.136 1
1 1292 . 2 1 1 A 108 108 LYS CB C 108 31.719 31.841 -0.122 1
1 1304 . 2 1 1 A 108 108 LYS C C 108 179.587 178.764 0.823 1
1 1305 . 2 1 1 A 109 109 PHE N N 109 118.900 118.383 0.517 1
1 1306 . 2 1 1 A 109 109 PHE H H 109 7.282 7.799 -0.517 1
1 1307 . 2 1 1 A 109 109 PHE CA C 109 61.501 60.288 1.213 1
1 1308 . 2 1 1 A 109 109 PHE HA H 109 3.550 3.866 -0.316 1
1 1309 . 2 1 1 A 109 109 PHE CB C 109 38.201 38.993 -0.792 1
1 1322 . 2 1 1 A 109 109 PHE C C 109 176.181 177.689 -1.508 1
1 1323 . 2 1 1 A 110 110 TYR N N 110 120.089 119.529 0.560 1
1 1324 . 2 1 1 A 110 110 TYR H H 110 7.417 8.044 -0.627 1
1 1325 . 2 1 1 A 110 110 TYR CA C 110 60.263 61.722 -1.459 1
1 1326 . 2 1 1 A 110 110 TYR HA H 110 2.584 3.285 -0.701 1
1 1327 . 2 1 1 A 110 110 TYR CB C 110 38.138 38.290 -0.152 1
1 1338 . 2 1 1 A 110 110 TYR C C 110 176.298 176.891 -0.593 1
1 1339 . 2 1 1 A 111 111 GLU N N 111 115.750 118.519 -2.769 1
1 1340 . 2 1 1 A 111 111 GLU H H 111 7.899 8.377 -0.478 1
1 1341 . 2 1 1 A 111 111 GLU CA C 111 58.712 59.079 -0.367 1
1 1342 . 2 1 1 A 111 111 GLU HA H 111 3.528 3.672 -0.144 1
1 1343 . 2 1 1 A 111 111 GLU CB C 111 29.429 29.364 0.065 1
1 1349 . 2 1 1 A 111 111 GLU C C 111 178.367 178.839 -0.472 1
1 1350 . 2 1 1 A 112 112 LEU N N 112 118.646 121.763 -3.117 1
1 1351 . 2 1 1 A 112 112 LEU H H 112 6.922 7.396 -0.474 1
1 1352 . 2 1 1 A 112 112 LEU CA C 112 57.107 58.062 -0.955 1
1 1353 . 2 1 1 A 112 112 LEU HA H 112 3.775 3.758 0.017 1
1 1354 . 2 1 1 A 112 112 LEU CB C 112 42.499 41.305 1.194 1
1 1367 . 2 1 1 A 112 112 LEU C C 112 178.820 178.025 0.795 1
1 1368 . 2 1 1 A 113 113 PHE N N 113 114.884 117.392 -2.508 1
1 1369 . 2 1 1 A 113 113 PHE H H 113 7.723 8.243 -0.520 1
1 1370 . 2 1 1 A 113 113 PHE CA C 113 57.108 60.752 -3.644 1
1 1371 . 2 1 1 A 113 113 PHE HA H 113 4.495 4.151 0.344 1
1 1372 . 2 1 1 A 113 113 PHE CB C 113 38.324 38.505 -0.181 1
1 1385 . 2 1 1 A 113 113 PHE C C 113 177.445 177.980 -0.535 1
1 1386 . 2 1 1 A 114 114 ARG N N 114 119.913 119.523 0.390 1
1 1387 . 2 1 1 A 114 114 ARG H H 114 7.840 8.076 -0.236 1
1 1388 . 2 1 1 A 114 114 ARG CA C 114 57.747 58.623 -0.876 1
1 1389 . 2 1 1 A 114 114 ARG HA H 114 4.164 3.979 0.185 1
1 1390 . 2 1 1 A 114 114 ARG CB C 114 28.994 29.782 -0.788 1
1 1399 . 2 1 1 A 114 114 ARG C C 114 177.051 176.589 0.462 1
1 1400 . 2 1 1 A 115 115 GLY N N 115 108.376 105.973 2.403 1
1 1401 . 2 1 1 A 115 115 GLY H H 115 8.070 7.342 0.728 1
1 1402 . 2 1 1 A 115 115 GLY CA C 115 45.201 45.676 -0.475 1
1 1403 . 2 1 1 A 115 115 GLY HA2 H 115 3.873 4.013 -0.140 1
1 1404 . 2 1 1 A 115 115 GLY HA3 H 115 3.988 4.019 -0.031 1
1 1405 . 2 1 1 A 115 115 GLY C C 115 173.987 171.988 1.999 1
1 1406 . 2 1 1 A 116 116 THR N N 116 116.618 118.696 -2.078 1
1 1407 . 2 1 1 A 116 116 THR H H 116 7.858 8.733 -0.875 1
1 1408 . 2 1 1 A 116 116 THR CA C 116 60.032 58.183 1.849 1
1 1409 . 2 1 1 A 116 116 THR HA H 116 4.620 4.922 -0.302 1
1 1410 . 2 1 1 A 116 116 THR CB C 116 70.082 71.076 -0.994 1
1 1416 . 2 1 1 A 116 116 THR C C 116 172.615 172.497 0.118 1
1 1417 . 2 1 1 A 117 117 PRO CA C 117 63.086 62.514 0.572 1
1 1418 . 2 1 1 A 117 117 PRO HA H 117 4.451 4.567 -0.116 1
1 1419 . 2 1 1 A 117 117 PRO CB C 117 32.220 32.138 0.082 1
1 1428 . 2 1 1 A 117 117 PRO C C 117 176.812 176.330 0.482 1
1 1429 . 2 1 1 A 118 118 LEU N N 118 122.695 123.800 -1.105 1
1 1430 . 2 1 1 A 118 118 LEU H H 118 8.424 8.400 0.024 1
1 1431 . 2 1 1 A 118 118 LEU CA C 118 55.266 54.169 1.097 1
1 1432 . 2 1 1 A 118 118 LEU HA H 118 4.276 4.247 0.029 1
1 1433 . 2 1 1 A 118 118 LEU CB C 118 42.339 40.504 1.835 1
1 1446 . 2 1 1 A 118 118 LEU C C 118 177.027 176.676 0.351 1
1 1447 . 2 1 1 A 119 119 ARG N N 119 122.979 124.385 -1.406 1
1 1448 . 2 1 1 A 119 119 ARG H H 119 8.250 8.642 -0.392 1
1 1449 . 2 1 1 A 119 119 ARG CA C 119 53.688 55.347 -1.659 1
1 1450 . 2 1 1 A 119 119 ARG HA H 119 4.644 4.402 0.242 1
1 1451 . 2 1 1 A 119 119 ARG CB C 119 30.469 30.529 -0.060 1
1 1460 . 2 1 1 A 119 119 ARG C C 119 174.019 175.671 -1.652 1
1 1461 . 2 1 1 A 120 120 PRO CA C 120 63.366 62.699 0.667 1
1 1462 . 2 1 1 A 120 120 PRO HA H 120 4.440 4.597 -0.157 1
1 1463 . 2 1 1 A 120 120 PRO CB C 120 31.958 31.645 0.313 1
1 1472 . 2 1 1 A 120 120 PRO C C 120 176.104 177.590 -1.486 1
1 1 . 3 1 1 A 6 6 SER CA C 6 58.867 56.455 2.412 1
1 2 . 3 1 1 A 6 6 SER HA H 6 4.432 4.908 -0.476 1
1 3 . 3 1 1 A 6 6 SER CB C 6 63.603 65.533 -1.930 1
1 6 . 3 1 1 A 6 6 SER C C 6 175.018 174.526 0.492 1
1 7 . 3 1 1 A 7 7 GLY N N 7 110.530 116.409 -5.879 1
1 8 . 3 1 1 A 7 7 GLY H H 7 8.382 8.683 -0.301 1
1 9 . 3 1 1 A 7 7 GLY CA C 7 45.311 44.905 0.406 1
1 10 . 3 1 1 A 7 7 GLY HA2 H 7 3.922 3.921 0.001 1
1 11 . 3 1 1 A 7 7 GLY HA3 H 7 3.922 3.921 0.001 1
1 12 . 3 1 1 A 7 7 GLY C C 7 173.740 172.011 1.729 1
1 13 . 3 1 1 A 8 8 ASP N N 8 120.471 118.883 1.588 1
1 14 . 3 1 1 A 8 8 ASP H H 8 8.121 8.361 -0.240 1
1 15 . 3 1 1 A 8 8 ASP CA C 8 54.214 53.421 0.793 1
1 16 . 3 1 1 A 8 8 ASP HA H 8 4.560 5.201 -0.641 1
1 17 . 3 1 1 A 8 8 ASP CB C 8 41.172 44.196 -3.024 1
1 20 . 3 1 1 A 8 8 ASP C C 8 176.082 174.504 1.578 1
1 21 . 3 1 1 A 9 9 ILE N N 9 121.785 124.178 -2.393 1
1 22 . 3 1 1 A 9 9 ILE H H 9 8.115 8.749 -0.634 1
1 23 . 3 1 1 A 9 9 ILE CA C 9 60.327 61.336 -1.009 1
1 24 . 3 1 1 A 9 9 ILE HA H 9 4.083 4.202 -0.119 1
1 25 . 3 1 1 A 9 9 ILE CB C 9 38.394 37.987 0.407 1
1 38 . 3 1 1 A 9 9 ILE C C 9 175.579 175.568 0.011 1
1 39 . 3 1 1 A 10 10 ARG N N 10 125.977 125.692 0.285 1
1 40 . 3 1 1 A 10 10 ARG H H 10 8.319 8.940 -0.621 1
1 41 . 3 1 1 A 10 10 ARG CA C 10 54.661 61.156 -6.495 1
1 42 . 3 1 1 A 10 10 ARG HA H 10 4.493 3.978 0.515 1
1 43 . 3 1 1 A 10 10 ARG CB C 10 29.730 29.601 0.129 1
1 52 . 3 1 1 A 10 10 ARG C C 10 175.511 176.620 -1.109 1
1 53 . 3 1 1 A 11 11 PRO CA C 11 65.595 64.341 1.254 1
1 54 . 3 1 1 A 11 11 PRO HA H 11 4.064 4.380 -0.316 1
1 55 . 3 1 1 A 11 11 PRO CB C 11 31.690 31.795 -0.105 1
1 64 . 3 1 1 A 12 12 SER CA C 12 60.656 61.344 -0.688 1
1 65 . 3 1 1 A 12 12 SER HA H 12 4.194 4.273 -0.079 1
1 66 . 3 1 1 A 12 12 SER CB C 12 62.321 63.208 -0.887 1
1 69 . 3 1 1 A 13 13 LYS H H 13 7.510 7.953 -0.443 1
1 70 . 3 1 1 A 13 13 LYS CA C 13 58.585 58.402 0.183 1
1 71 . 3 1 1 A 13 13 LYS HA H 13 4.186 4.054 0.132 1
1 72 . 3 1 1 A 13 13 LYS CB C 13 32.274 32.007 0.267 1
1 84 . 3 1 1 A 13 13 LYS C C 13 179.028 178.591 0.437 1
1 85 . 3 1 1 A 14 14 LEU N N 14 121.315 121.983 -0.668 1
1 86 . 3 1 1 A 14 14 LEU H H 14 7.968 7.695 0.273 1
1 87 . 3 1 1 A 14 14 LEU CA C 14 57.648 57.925 -0.277 1
1 88 . 3 1 1 A 14 14 LEU HA H 14 3.889 3.744 0.145 1
1 89 . 3 1 1 A 14 14 LEU CB C 14 42.171 41.843 0.328 1
1 102 . 3 1 1 A 14 14 LEU C C 14 178.689 178.262 0.427 1
1 103 . 3 1 1 A 15 15 LEU N N 15 120.526 119.725 0.801 1
1 104 . 3 1 1 A 15 15 LEU H H 15 8.546 8.086 0.460 1
1 105 . 3 1 1 A 15 15 LEU CA C 15 59.227 58.325 0.902 1
1 106 . 3 1 1 A 15 15 LEU HA H 15 4.038 4.128 -0.090 1
1 107 . 3 1 1 A 15 15 LEU CB C 15 40.993 41.611 -0.618 1
1 120 . 3 1 1 A 15 15 LEU C C 15 178.020 178.711 -0.691 1
1 121 . 3 1 1 A 16 16 THR N N 16 114.667 114.561 0.106 1
1 122 . 3 1 1 A 16 16 THR H H 16 7.945 7.944 0.001 1
1 123 . 3 1 1 A 16 16 THR CA C 16 66.778 66.734 0.044 1
1 124 . 3 1 1 A 16 16 THR HA H 16 4.162 3.947 0.215 1
1 125 . 3 1 1 A 16 16 THR CB C 16 68.914 68.494 0.420 1
1 131 . 3 1 1 A 16 16 THR C C 16 176.419 176.509 -0.090 1
1 132 . 3 1 1 A 17 17 TRP N N 17 122.548 120.847 1.701 1
1 133 . 3 1 1 A 17 17 TRP H H 17 8.242 8.153 0.089 1
1 134 . 3 1 1 A 17 17 TRP CA C 17 63.006 61.330 1.676 1
1 135 . 3 1 1 A 17 17 TRP HA H 17 4.442 4.239 0.203 1
1 136 . 3 1 1 A 17 17 TRP CB C 17 28.530 29.736 -1.206 1
1 151 . 3 1 1 A 17 17 TRP C C 17 178.678 178.526 0.152 1
1 152 . 3 1 1 A 18 18 CYS N N 18 117.202 116.972 0.230 1
1 153 . 3 1 1 A 18 18 CYS H H 18 8.993 8.324 0.669 1
1 154 . 3 1 1 A 18 18 CYS CA C 18 64.830 63.686 1.144 1
1 155 . 3 1 1 A 18 18 CYS HA H 18 3.855 3.906 -0.051 1
1 156 . 3 1 1 A 18 18 CYS CB C 18 27.945 27.156 0.789 1
1 159 . 3 1 1 A 18 18 CYS C C 18 178.411 177.191 1.220 1
1 160 . 3 1 1 A 19 19 GLN N N 19 120.296 119.326 0.970 1
1 161 . 3 1 1 A 19 19 GLN H H 19 8.696 8.350 0.346 1
1 162 . 3 1 1 A 19 19 GLN CA C 19 59.705 58.932 0.773 1
1 163 . 3 1 1 A 19 19 GLN HA H 19 3.654 4.090 -0.436 1
1 164 . 3 1 1 A 19 19 GLN CB C 19 27.820 28.574 -0.754 1
1 173 . 3 1 1 A 19 19 GLN C C 19 177.957 178.708 -0.751 1
1 174 . 3 1 1 A 20 20 GLN N N 20 119.247 119.062 0.185 1
1 175 . 3 1 1 A 20 20 GLN H H 20 8.306 8.206 0.100 1
1 176 . 3 1 1 A 20 20 GLN CA C 20 58.838 59.005 -0.167 1
1 177 . 3 1 1 A 20 20 GLN HA H 20 4.016 3.926 0.090 1
1 178 . 3 1 1 A 20 20 GLN CB C 20 28.000 28.270 -0.270 1
1 187 . 3 1 1 A 20 20 GLN C C 20 179.476 178.914 0.562 1
1 188 . 3 1 1 A 21 21 GLN N N 21 113.337 118.585 -5.248 1
1 189 . 3 1 1 A 21 21 GLN H H 21 7.999 7.729 0.270 1
1 190 . 3 1 1 A 21 21 GLN CA C 21 55.909 58.977 -3.068 1
1 191 . 3 1 1 A 21 21 GLN HA H 21 4.043 3.725 0.318 1
1 192 . 3 1 1 A 21 21 GLN CB C 21 27.676 27.823 -0.147 1
1 201 . 3 1 1 A 21 21 GLN C C 21 177.394 178.701 -1.307 1
1 202 . 3 1 1 A 22 22 THR N N 22 103.485 111.705 -8.220 1
1 203 . 3 1 1 A 22 22 THR H H 22 7.119 7.534 -0.415 1
1 204 . 3 1 1 A 22 22 THR CA C 22 61.272 65.458 -4.186 1
1 205 . 3 1 1 A 22 22 THR HA H 22 4.092 3.805 0.287 1
1 206 . 3 1 1 A 22 22 THR CB C 22 69.448 68.411 1.037 1
1 212 . 3 1 1 A 22 22 THR C C 22 174.644 174.756 -0.112 1
1 213 . 3 1 1 A 23 23 GLU N N 23 125.366 122.299 3.067 1
1 214 . 3 1 1 A 23 23 GLU H H 23 6.949 7.981 -1.032 1
1 215 . 3 1 1 A 23 23 GLU CA C 23 58.389 58.542 -0.153 1
1 216 . 3 1 1 A 23 23 GLU HA H 23 3.999 3.917 0.082 1
1 217 . 3 1 1 A 23 23 GLU CB C 23 29.683 29.534 0.149 1
1 223 . 3 1 1 A 23 23 GLU C C 23 177.061 177.380 -0.319 1
1 224 . 3 1 1 A 24 24 GLY N N 24 112.717 115.233 -2.516 1
1 225 . 3 1 1 A 24 24 GLY H H 24 8.732 8.965 -0.233 1
1 226 . 3 1 1 A 24 24 GLY CA C 24 45.326 45.057 0.269 1
1 227 . 3 1 1 A 24 24 GLY HA2 H 24 3.988 3.933 0.055 1
1 228 . 3 1 1 A 24 24 GLY HA3 H 24 3.538 3.936 -0.398 1
1 229 . 3 1 1 A 24 24 GLY C C 24 174.531 174.083 0.448 1
1 230 . 3 1 1 A 25 25 TYR N N 25 120.189 119.693 0.496 1
1 231 . 3 1 1 A 25 25 TYR H H 25 7.488 7.723 -0.235 1
1 232 . 3 1 1 A 25 25 TYR CA C 25 59.028 57.916 1.112 1
1 233 . 3 1 1 A 25 25 TYR HA H 25 3.947 4.334 -0.387 1
1 234 . 3 1 1 A 25 25 TYR CB C 25 37.202 38.783 -1.581 1
1 245 . 3 1 1 A 25 25 TYR C C 25 176.354 175.174 1.180 1
1 246 . 3 1 1 A 26 26 GLN N N 26 125.301 119.725 5.576 1
1 247 . 3 1 1 A 26 26 GLN H H 26 8.877 8.367 0.510 1
1 248 . 3 1 1 A 26 26 GLN CA C 26 56.923 54.317 2.606 1
1 249 . 3 1 1 A 26 26 GLN HA H 26 3.866 4.583 -0.717 1
1 250 . 3 1 1 A 26 26 GLN CB C 26 28.808 31.374 -2.566 1
1 259 . 3 1 1 A 26 26 GLN C C 26 175.582 175.626 -0.044 1
1 260 . 3 1 1 A 27 27 HIS N N 27 111.738 115.659 -3.921 1
1 261 . 3 1 1 A 27 27 HIS H H 27 8.581 8.350 0.231 1
1 262 . 3 1 1 A 27 27 HIS CA C 27 56.937 56.900 0.037 1
1 263 . 3 1 1 A 27 27 HIS HA H 27 4.174 4.006 0.168 1
1 264 . 3 1 1 A 27 27 HIS CB C 27 26.839 26.886 -0.047 1
1 271 . 3 1 1 A 27 27 HIS C C 27 172.979 174.040 -1.061 1
1 272 . 3 1 1 A 28 28 VAL N N 28 118.229 118.529 -0.300 1
1 273 . 3 1 1 A 28 28 VAL H H 28 7.377 7.515 -0.138 1
1 274 . 3 1 1 A 28 28 VAL CA C 28 61.927 61.472 0.455 1
1 275 . 3 1 1 A 28 28 VAL HA H 28 3.922 4.270 -0.348 1
1 276 . 3 1 1 A 28 28 VAL CB C 28 33.373 33.195 0.178 1
1 286 . 3 1 1 A 28 28 VAL C C 28 174.687 173.355 1.332 1
1 287 . 3 1 1 A 29 29 ASN N N 29 125.832 127.550 -1.718 1
1 288 . 3 1 1 A 29 29 ASN H H 29 8.604 9.044 -0.440 1
1 289 . 3 1 1 A 29 29 ASN CA C 29 52.651 51.833 0.818 1
1 290 . 3 1 1 A 29 29 ASN HA H 29 4.682 5.310 -0.628 1
1 291 . 3 1 1 A 29 29 ASN CB C 29 39.124 39.904 -0.780 1
1 297 . 3 1 1 A 29 29 ASN C C 29 173.380 173.896 -0.516 1
1 298 . 3 1 1 A 30 30 VAL N N 30 125.146 126.666 -1.520 1
1 299 . 3 1 1 A 30 30 VAL H H 30 9.203 8.806 0.397 1
1 300 . 3 1 1 A 30 30 VAL CA C 30 63.838 62.279 1.559 1
1 301 . 3 1 1 A 30 30 VAL HA H 30 3.699 4.332 -0.633 1
1 302 . 3 1 1 A 30 30 VAL CB C 30 31.136 31.907 -0.771 1
1 312 . 3 1 1 A 30 30 VAL C C 30 176.046 176.312 -0.266 1
1 313 . 3 1 1 A 31 31 THR N N 31 118.952 117.685 1.267 1
1 314 . 3 1 1 A 31 31 THR H H 31 8.396 8.384 0.012 1
1 315 . 3 1 1 A 31 31 THR CA C 31 60.985 61.868 -0.883 1
1 316 . 3 1 1 A 31 31 THR HA H 31 4.316 4.639 -0.323 1
1 317 . 3 1 1 A 31 31 THR CB C 31 70.087 70.541 -0.454 1
1 323 . 3 1 1 A 31 31 THR C C 31 173.296 174.591 -1.295 1
1 324 . 3 1 1 A 32 32 ASP N N 32 120.757 120.574 0.183 1
1 325 . 3 1 1 A 32 32 ASP H H 32 8.078 7.385 0.693 1
1 326 . 3 1 1 A 32 32 ASP CA C 32 53.069 52.854 0.215 1
1 327 . 3 1 1 A 32 32 ASP HA H 32 4.536 5.110 -0.574 1
1 328 . 3 1 1 A 32 32 ASP CB C 32 41.527 43.992 -2.465 1
1 331 . 3 1 1 A 32 32 ASP C C 32 174.931 175.408 -0.477 1
1 332 . 3 1 1 A 33 33 LEU N N 33 117.024 120.393 -3.369 1
1 333 . 3 1 1 A 33 33 LEU H H 33 8.733 8.546 0.187 1
1 334 . 3 1 1 A 33 33 LEU CA C 33 54.453 54.469 -0.016 1
1 335 . 3 1 1 A 33 33 LEU HA H 33 4.834 5.151 -0.317 1
1 336 . 3 1 1 A 33 33 LEU CB C 33 41.867 42.326 -0.459 1
1 349 . 3 1 1 A 33 33 LEU C C 33 174.039 177.057 -3.018 1
1 350 . 3 1 1 A 34 34 THR N N 34 103.873 112.677 -8.804 1
1 351 . 3 1 1 A 34 34 THR H H 34 7.900 7.887 0.013 1
1 352 . 3 1 1 A 34 34 THR CA C 34 60.434 62.629 -2.195 1
1 353 . 3 1 1 A 34 34 THR HA H 34 4.519 4.661 -0.142 1
1 354 . 3 1 1 A 34 34 THR CB C 34 70.237 69.889 0.348 1
1 360 . 3 1 1 A 34 34 THR C C 34 175.954 175.858 0.096 1
1 361 . 3 1 1 A 35 35 THR N N 35 118.103 117.708 0.395 1
1 362 . 3 1 1 A 35 35 THR H H 35 9.363 8.181 1.182 1
1 363 . 3 1 1 A 35 35 THR CA C 35 66.422 65.114 1.308 1
1 364 . 3 1 1 A 35 35 THR HA H 35 3.981 4.160 -0.179 1
1 365 . 3 1 1 A 35 35 THR CB C 35 68.720 69.098 -0.378 1
1 371 . 3 1 1 A 35 35 THR C C 35 177.778 176.533 1.245 1
1 372 . 3 1 1 A 36 36 SER N N 36 120.417 117.074 3.343 1
1 373 . 3 1 1 A 36 36 SER H H 36 10.544 8.264 2.280 1
1 374 . 3 1 1 A 36 36 SER CA C 36 61.076 61.782 -0.706 1
1 375 . 3 1 1 A 36 36 SER HA H 36 4.395 4.277 0.118 1
1 376 . 3 1 1 A 36 36 SER CB C 36 63.485 62.920 0.565 1
1 379 . 3 1 1 A 36 36 SER C C 36 173.956 175.168 -1.212 1
1 380 . 3 1 1 A 37 37 TRP N N 37 121.387 120.105 1.282 1
1 381 . 3 1 1 A 37 37 TRP H H 37 8.126 8.077 0.049 1
1 382 . 3 1 1 A 37 37 TRP CA C 37 57.689 56.352 1.337 1
1 383 . 3 1 1 A 37 37 TRP HA H 37 4.340 5.155 -0.815 1
1 384 . 3 1 1 A 37 37 TRP CB C 37 28.915 29.605 -0.690 1
1 399 . 3 1 1 A 37 37 TRP C C 37 176.751 176.766 -0.015 1
1 400 . 3 1 1 A 38 38 ARG N N 38 121.787 120.072 1.715 1
1 401 . 3 1 1 A 38 38 ARG H H 38 7.473 8.536 -1.063 1
1 402 . 3 1 1 A 38 38 ARG CA C 38 60.250 58.824 1.426 1
1 403 . 3 1 1 A 38 38 ARG HA H 38 4.065 4.218 -0.153 1
1 404 . 3 1 1 A 38 38 ARG CB C 38 30.807 30.038 0.769 1
1 415 . 3 1 1 A 38 38 ARG C C 38 177.636 178.246 -0.610 1
1 416 . 3 1 1 A 39 39 SER N N 39 110.340 114.591 -4.251 1
1 417 . 3 1 1 A 39 39 SER H H 39 8.665 7.754 0.911 1
1 418 . 3 1 1 A 39 39 SER CA C 39 59.336 58.509 0.827 1
1 419 . 3 1 1 A 39 39 SER HA H 39 4.349 4.562 -0.213 1
1 420 . 3 1 1 A 39 39 SER CB C 39 64.907 64.035 0.872 1
1 423 . 3 1 1 A 39 39 SER C C 39 174.768 174.830 -0.062 1
1 424 . 3 1 1 A 40 40 GLY N N 40 109.467 108.473 0.994 1
1 425 . 3 1 1 A 40 40 GLY H H 40 7.549 7.864 -0.315 1
1 426 . 3 1 1 A 40 40 GLY CA C 40 46.347 45.221 1.126 1
1 427 . 3 1 1 A 40 40 GLY HA2 H 40 3.875 3.959 -0.084 1
1 428 . 3 1 1 A 40 40 GLY HA3 H 40 3.915 4.115 -0.200 1
1 429 . 3 1 1 A 40 40 GLY C C 40 173.725 175.933 -2.208 1
1 430 . 3 1 1 A 41 41 LEU N N 41 117.562 121.807 -4.245 1
1 431 . 3 1 1 A 41 41 LEU H H 41 7.287 8.181 -0.894 1
1 432 . 3 1 1 A 41 41 LEU CA C 41 57.482 57.809 -0.327 1
1 433 . 3 1 1 A 41 41 LEU HA H 41 3.882 3.823 0.059 1
1 434 . 3 1 1 A 41 41 LEU CB C 41 42.615 41.642 0.973 1
1 447 . 3 1 1 A 41 41 LEU C C 41 178.159 178.864 -0.705 1
1 448 . 3 1 1 A 42 42 ALA N N 42 121.758 120.848 0.910 1
1 449 . 3 1 1 A 42 42 ALA H H 42 8.506 8.247 0.259 1
1 450 . 3 1 1 A 42 42 ALA CA C 42 55.694 55.143 0.551 1
1 451 . 3 1 1 A 42 42 ALA HA H 42 3.582 3.760 -0.178 1
1 452 . 3 1 1 A 42 42 ALA CB C 42 17.039 17.956 -0.917 1
1 456 . 3 1 1 A 42 42 ALA C C 42 178.076 179.539 -1.463 1
1 457 . 3 1 1 A 43 43 LEU N N 43 118.332 119.685 -1.353 1
1 458 . 3 1 1 A 43 43 LEU H H 43 8.933 8.080 0.853 1
1 459 . 3 1 1 A 43 43 LEU CA C 43 57.425 57.979 -0.554 1
1 460 . 3 1 1 A 43 43 LEU HA H 43 4.308 4.393 -0.085 1
1 461 . 3 1 1 A 43 43 LEU CB C 43 42.068 41.775 0.293 1
1 474 . 3 1 1 A 43 43 LEU C C 43 179.198 178.515 0.683 1
1 475 . 3 1 1 A 44 44 CYS N N 44 115.098 116.984 -1.886 1
1 476 . 3 1 1 A 44 44 CYS H H 44 7.607 8.501 -0.894 1
1 477 . 3 1 1 A 44 44 CYS CA C 44 65.664 62.578 3.086 1
1 478 . 3 1 1 A 44 44 CYS HA H 44 4.035 4.193 -0.158 1
1 479 . 3 1 1 A 44 44 CYS CB C 44 27.516 26.775 0.741 1
1 482 . 3 1 1 A 44 44 CYS C C 44 176.222 177.532 -1.310 1
1 483 . 3 1 1 A 45 45 ALA N N 45 121.778 122.339 -0.561 1
1 484 . 3 1 1 A 45 45 ALA H H 45 8.435 7.820 0.615 1
1 485 . 3 1 1 A 45 45 ALA CA C 45 55.306 54.641 0.665 1
1 486 . 3 1 1 A 45 45 ALA HA H 45 3.184 3.803 -0.619 1
1 487 . 3 1 1 A 45 45 ALA CB C 45 17.395 17.818 -0.423 1
1 491 . 3 1 1 A 45 45 ALA C C 45 177.510 179.679 -2.169 1
1 492 . 3 1 1 A 46 46 ILE N N 46 116.463 119.198 -2.735 1
1 493 . 3 1 1 A 46 46 ILE H H 46 7.527 7.552 -0.025 1
1 494 . 3 1 1 A 46 46 ILE CA C 46 65.137 64.790 0.347 1
1 495 . 3 1 1 A 46 46 ILE HA H 46 3.267 3.528 -0.261 1
1 496 . 3 1 1 A 46 46 ILE CB C 46 37.084 37.901 -0.817 1
1 509 . 3 1 1 A 46 46 ILE C C 46 176.744 178.371 -1.627 1
1 510 . 3 1 1 A 47 47 ILE N N 47 115.676 120.260 -4.584 1
1 511 . 3 1 1 A 47 47 ILE H H 47 7.786 8.166 -0.380 1
1 512 . 3 1 1 A 47 47 ILE CA C 47 66.948 65.459 1.489 1
1 513 . 3 1 1 A 47 47 ILE HA H 47 3.754 3.806 -0.052 1
1 514 . 3 1 1 A 47 47 ILE CB C 47 38.335 38.138 0.197 1
1 527 . 3 1 1 A 47 47 ILE C C 47 176.853 178.146 -1.293 1
1 528 . 3 1 1 A 48 48 HIS N N 48 120.066 119.219 0.847 1
1 529 . 3 1 1 A 48 48 HIS H H 48 8.569 8.385 0.184 1
1 530 . 3 1 1 A 48 48 HIS CA C 48 60.767 60.158 0.609 1
1 531 . 3 1 1 A 48 48 HIS HA H 48 3.918 4.366 -0.448 1
1 532 . 3 1 1 A 48 48 HIS CB C 48 31.245 30.176 1.069 1
1 539 . 3 1 1 A 48 48 HIS C C 48 175.841 176.962 -1.121 1
1 540 . 3 1 1 A 49 49 ARG N N 49 118.781 118.707 0.074 1
1 541 . 3 1 1 A 49 49 ARG H H 49 8.572 8.244 0.328 1
1 542 . 3 1 1 A 49 49 ARG CA C 49 58.152 59.447 -1.295 1
1 543 . 3 1 1 A 49 49 ARG HA H 49 3.680 4.154 -0.474 1
1 544 . 3 1 1 A 49 49 ARG CB C 49 28.454 30.088 -1.634 1
1 555 . 3 1 1 A 49 49 ARG C C 49 177.830 179.227 -1.397 1
1 556 . 3 1 1 A 50 50 PHE N N 50 113.909 118.003 -4.094 1
1 557 . 3 1 1 A 50 50 PHE H H 50 6.900 7.740 -0.840 1
1 558 . 3 1 1 A 50 50 PHE CA C 50 59.885 60.363 -0.478 1
1 559 . 3 1 1 A 50 50 PHE HA H 50 4.281 4.357 -0.076 1
1 560 . 3 1 1 A 50 50 PHE CB C 50 41.527 39.189 2.338 1
1 573 . 3 1 1 A 50 50 PHE C C 50 176.867 176.109 0.758 1
1 574 . 3 1 1 A 51 51 ARG N N 51 120.652 119.210 1.442 1
1 575 . 3 1 1 A 51 51 ARG H H 51 9.059 8.067 0.992 1
1 576 . 3 1 1 A 51 51 ARG CA C 51 51.499 53.794 -2.295 1
1 577 . 3 1 1 A 51 51 ARG HA H 51 4.942 4.808 0.134 1
1 578 . 3 1 1 A 51 51 ARG CB C 51 30.307 30.814 -0.507 1
1 589 . 3 1 1 A 51 51 ARG C C 51 172.670 174.561 -1.891 1
1 590 . 3 1 1 A 52 52 PRO CA C 52 64.948 63.842 1.106 1
1 591 . 3 1 1 A 52 52 PRO HA H 52 4.343 3.919 0.424 1
1 592 . 3 1 1 A 52 52 PRO CB C 52 31.091 31.123 -0.032 1
1 601 . 3 1 1 A 52 52 PRO C C 52 177.406 177.621 -0.215 1
1 602 . 3 1 1 A 53 53 GLU N N 53 118.219 118.254 -0.035 1
1 603 . 3 1 1 A 53 53 GLU H H 53 9.784 8.312 1.472 1
1 604 . 3 1 1 A 53 53 GLU CA C 53 57.285 59.179 -1.894 1
1 605 . 3 1 1 A 53 53 GLU HA H 53 4.322 4.150 0.172 1
1 606 . 3 1 1 A 53 53 GLU CB C 53 27.771 29.473 -1.702 1
1 612 . 3 1 1 A 53 53 GLU C C 53 177.957 179.172 -1.215 1
1 613 . 3 1 1 A 54 54 LEU N N 54 119.316 118.125 1.191 1
1 614 . 3 1 1 A 54 54 LEU H H 54 8.212 7.191 1.021 1
1 615 . 3 1 1 A 54 54 LEU CA C 54 55.943 56.583 -0.640 1
1 616 . 3 1 1 A 54 54 LEU HA H 54 4.337 4.245 0.092 1
1 617 . 3 1 1 A 54 54 LEU CB C 54 43.122 43.322 -0.200 1
1 630 . 3 1 1 A 54 54 LEU C C 54 177.159 176.953 0.206 1
1 631 . 3 1 1 A 55 55 ILE N N 55 115.493 118.331 -2.838 1
1 632 . 3 1 1 A 55 55 ILE H H 55 6.990 7.923 -0.933 1
1 633 . 3 1 1 A 55 55 ILE CA C 55 59.645 60.150 -0.505 1
1 634 . 3 1 1 A 55 55 ILE HA H 55 4.230 4.747 -0.517 1
1 635 . 3 1 1 A 55 55 ILE CB C 55 43.159 41.808 1.351 1
1 648 . 3 1 1 A 55 55 ILE C C 55 173.302 174.371 -1.069 1
1 649 . 3 1 1 A 56 56 ASN N N 56 124.568 124.982 -0.414 1
1 650 . 3 1 1 A 56 56 ASN H H 56 8.984 8.802 0.182 1
1 651 . 3 1 1 A 56 56 ASN CA C 56 51.198 51.499 -0.301 1
1 652 . 3 1 1 A 56 56 ASN HA H 56 5.100 5.143 -0.043 1
1 653 . 3 1 1 A 56 56 ASN CB C 56 36.452 38.423 -1.971 1
1 659 . 3 1 1 A 56 56 ASN C C 56 175.902 175.293 0.609 1
1 660 . 3 1 1 A 57 57 PHE N N 57 126.548 126.216 0.332 1
1 661 . 3 1 1 A 57 57 PHE H H 57 7.219 9.011 -1.792 1
1 662 . 3 1 1 A 57 57 PHE CA C 57 62.399 61.793 0.606 1
1 663 . 3 1 1 A 57 57 PHE HA H 57 3.514 4.027 -0.513 1
1 664 . 3 1 1 A 57 57 PHE CB C 57 39.553 39.306 0.247 1
1 677 . 3 1 1 A 57 57 PHE C C 57 176.597 177.613 -1.016 1
1 678 . 3 1 1 A 58 58 ASP N N 58 116.755 119.171 -2.416 1
1 679 . 3 1 1 A 58 58 ASP H H 58 8.691 8.335 0.356 1
1 680 . 3 1 1 A 58 58 ASP CA C 58 56.635 56.696 -0.061 1
1 681 . 3 1 1 A 58 58 ASP HA H 58 4.324 4.597 -0.273 1
1 682 . 3 1 1 A 58 58 ASP CB C 58 40.262 41.208 -0.946 1
1 685 . 3 1 1 A 58 58 ASP C C 58 176.562 177.150 -0.588 1
1 686 . 3 1 1 A 59 59 SER N N 59 112.320 113.718 -1.398 1
1 687 . 3 1 1 A 59 59 SER H H 59 7.412 7.753 -0.341 1
1 688 . 3 1 1 A 59 59 SER CA C 59 58.740 59.825 -1.085 1
1 689 . 3 1 1 A 59 59 SER HA H 59 4.365 4.536 -0.171 1
1 690 . 3 1 1 A 59 59 SER CB C 59 64.598 64.455 0.143 1
1 693 . 3 1 1 A 59 59 SER C C 59 174.309 174.859 -0.550 1
1 694 . 3 1 1 A 60 60 LEU N N 60 121.693 122.579 -0.886 1
1 695 . 3 1 1 A 60 60 LEU H H 60 7.176 7.134 0.042 1
1 696 . 3 1 1 A 60 60 LEU CA C 60 54.593 55.680 -1.087 1
1 697 . 3 1 1 A 60 60 LEU HA H 60 4.196 3.990 0.206 1
1 698 . 3 1 1 A 60 60 LEU CB C 60 40.943 41.917 -0.974 1
1 711 . 3 1 1 A 60 60 LEU C C 60 176.774 175.963 0.811 1
1 712 . 3 1 1 A 61 61 ASN N N 61 121.648 124.293 -2.645 1
1 713 . 3 1 1 A 61 61 ASN H H 61 9.391 8.416 0.975 1
1 714 . 3 1 1 A 61 61 ASN CA C 61 51.763 51.640 0.123 1
1 715 . 3 1 1 A 61 61 ASN HA H 61 4.721 4.927 -0.206 1
1 716 . 3 1 1 A 61 61 ASN CB C 61 40.025 39.900 0.125 1
1 722 . 3 1 1 A 61 61 ASN C C 61 176.599 175.404 1.195 1
1 723 . 3 1 1 A 62 62 GLU N N 62 126.707 127.099 -0.392 1
1 724 . 3 1 1 A 62 62 GLU H H 62 9.255 8.976 0.279 1
1 725 . 3 1 1 A 62 62 GLU CA C 62 58.926 60.540 -1.614 1
1 726 . 3 1 1 A 62 62 GLU HA H 62 3.688 3.847 -0.159 1
1 727 . 3 1 1 A 62 62 GLU CB C 62 29.479 29.730 -0.251 1
1 733 . 3 1 1 A 62 62 GLU C C 62 176.196 177.982 -1.786 1
1 734 . 3 1 1 A 63 63 ASP N N 63 116.763 119.667 -2.904 1
1 735 . 3 1 1 A 63 63 ASP H H 63 8.317 8.227 0.090 1
1 736 . 3 1 1 A 63 63 ASP CA C 63 55.499 57.891 -2.392 1
1 737 . 3 1 1 A 63 63 ASP HA H 63 4.509 4.355 0.154 1
1 738 . 3 1 1 A 63 63 ASP CB C 63 40.697 42.237 -1.540 1
1 741 . 3 1 1 A 63 63 ASP C C 63 177.195 177.509 -0.314 1
1 742 . 3 1 1 A 64 64 ASP N N 64 123.036 117.269 5.767 1
1 743 . 3 1 1 A 64 64 ASP H H 64 7.422 8.332 -0.910 1
1 744 . 3 1 1 A 64 64 ASP CA C 64 52.760 53.520 -0.760 1
1 745 . 3 1 1 A 64 64 ASP HA H 64 4.949 4.840 0.109 1
1 746 . 3 1 1 A 64 64 ASP CB C 64 38.920 39.286 -0.366 1
1 749 . 3 1 1 A 64 64 ASP C C 64 174.979 176.118 -1.139 1
1 750 . 3 1 1 A 65 65 ALA N N 65 123.411 123.191 0.220 1
1 751 . 3 1 1 A 65 65 ALA H H 65 7.527 8.146 -0.619 1
1 752 . 3 1 1 A 65 65 ALA CA C 65 55.750 55.188 0.562 1
1 753 . 3 1 1 A 65 65 ALA HA H 65 4.295 3.880 0.415 1
1 754 . 3 1 1 A 65 65 ALA CB C 65 19.889 18.636 1.253 1
1 758 . 3 1 1 A 65 65 ALA C C 65 181.114 179.863 1.251 1
1 759 . 3 1 1 A 66 66 VAL N N 66 119.151 118.242 0.909 1
1 760 . 3 1 1 A 66 66 VAL H H 66 8.305 8.103 0.202 1
1 761 . 3 1 1 A 66 66 VAL CA C 66 67.423 66.978 0.445 1
1 762 . 3 1 1 A 66 66 VAL HA H 66 3.292 3.557 -0.265 1
1 763 . 3 1 1 A 66 66 VAL CB C 66 31.418 31.620 -0.202 1
1 773 . 3 1 1 A 66 66 VAL C C 66 177.471 177.864 -0.393 1
1 774 . 3 1 1 A 67 67 GLU N N 67 117.895 118.922 -1.027 1
1 775 . 3 1 1 A 67 67 GLU H H 67 8.256 8.171 0.085 1
1 776 . 3 1 1 A 67 67 GLU CA C 67 59.831 59.730 0.101 1
1 777 . 3 1 1 A 67 67 GLU HA H 67 3.901 3.906 -0.005 1
1 778 . 3 1 1 A 67 67 GLU CB C 67 28.963 29.485 -0.522 1
1 784 . 3 1 1 A 67 67 GLU C C 67 179.796 179.165 0.631 1
1 785 . 3 1 1 A 68 68 ASN N N 68 119.611 117.806 1.805 1
1 786 . 3 1 1 A 68 68 ASN H H 68 9.019 8.513 0.506 1
1 787 . 3 1 1 A 68 68 ASN CA C 68 55.797 56.511 -0.714 1
1 788 . 3 1 1 A 68 68 ASN HA H 68 4.325 4.292 0.033 1
1 789 . 3 1 1 A 68 68 ASN CB C 68 37.140 37.514 -0.374 1
1 795 . 3 1 1 A 68 68 ASN C C 68 177.193 178.201 -1.008 1
1 796 . 3 1 1 A 69 69 ASN N N 69 115.555 117.402 -1.847 1
1 797 . 3 1 1 A 69 69 ASN H H 69 7.589 8.219 -0.630 1
1 798 . 3 1 1 A 69 69 ASN CA C 69 57.155 55.758 1.397 1
1 799 . 3 1 1 A 69 69 ASN HA H 69 3.880 4.017 -0.137 1
1 800 . 3 1 1 A 69 69 ASN CB C 69 40.785 37.798 2.987 1
1 806 . 3 1 1 A 69 69 ASN C C 69 175.062 176.766 -1.704 1
1 807 . 3 1 1 A 70 70 GLN N N 70 115.794 119.457 -3.663 1
1 808 . 3 1 1 A 70 70 GLN H H 70 8.058 7.807 0.251 1
1 809 . 3 1 1 A 70 70 GLN CA C 70 58.400 58.502 -0.102 1
1 810 . 3 1 1 A 70 70 GLN HA H 70 3.591 3.875 -0.284 1
1 811 . 3 1 1 A 70 70 GLN CB C 70 29.420 28.239 1.181 1
1 820 . 3 1 1 A 70 70 GLN C C 70 176.954 177.968 -1.014 1
1 821 . 3 1 1 A 71 71 LEU N N 71 118.631 121.064 -2.433 1
1 822 . 3 1 1 A 71 71 LEU H H 71 8.090 8.095 -0.005 1
1 823 . 3 1 1 A 71 71 LEU CA C 71 58.121 58.411 -0.290 1
1 824 . 3 1 1 A 71 71 LEU HA H 71 4.291 3.983 0.308 1
1 825 . 3 1 1 A 71 71 LEU CB C 71 42.100 41.948 0.152 1
1 838 . 3 1 1 A 71 71 LEU C C 71 177.664 178.136 -0.472 1
1 839 . 3 1 1 A 72 72 ALA N N 72 119.977 120.689 -0.712 1
1 840 . 3 1 1 A 72 72 ALA H H 72 7.274 7.826 -0.552 1
1 841 . 3 1 1 A 72 72 ALA CA C 72 55.807 55.033 0.774 1
1 842 . 3 1 1 A 72 72 ALA HA H 72 3.873 4.159 -0.286 1
1 843 . 3 1 1 A 72 72 ALA CB C 72 18.412 18.175 0.237 1
1 847 . 3 1 1 A 72 72 ALA C C 72 179.676 180.129 -0.453 1
1 848 . 3 1 1 A 73 73 PHE N N 73 115.018 116.162 -1.144 1
1 849 . 3 1 1 A 73 73 PHE H H 73 8.722 8.008 0.714 1
1 850 . 3 1 1 A 73 73 PHE CA C 73 56.889 61.399 -4.510 1
1 851 . 3 1 1 A 73 73 PHE HA H 73 4.848 4.553 0.295 1
1 852 . 3 1 1 A 73 73 PHE CB C 73 37.404 39.138 -1.734 1
1 865 . 3 1 1 A 73 73 PHE C C 73 180.123 178.242 1.881 1
1 866 . 3 1 1 A 74 74 ASP N N 74 122.136 119.162 2.974 1
1 867 . 3 1 1 A 74 74 ASP H H 74 9.262 8.710 0.552 1
1 868 . 3 1 1 A 74 74 ASP CA C 74 57.648 57.764 -0.116 1
1 869 . 3 1 1 A 74 74 ASP HA H 74 4.550 4.425 0.125 1
1 870 . 3 1 1 A 74 74 ASP CB C 74 40.073 42.113 -2.040 1
1 873 . 3 1 1 A 74 74 ASP C C 74 179.818 178.896 0.922 1
1 874 . 3 1 1 A 75 75 VAL N N 75 122.521 119.512 3.009 1
1 875 . 3 1 1 A 75 75 VAL H H 75 9.080 8.546 0.534 1
1 876 . 3 1 1 A 75 75 VAL CA C 75 66.894 66.762 0.132 1
1 877 . 3 1 1 A 75 75 VAL HA H 75 3.611 3.589 0.022 1
1 878 . 3 1 1 A 75 75 VAL CB C 75 31.943 31.620 0.323 1
1 888 . 3 1 1 A 75 75 VAL C C 75 177.813 178.374 -0.561 1
1 889 . 3 1 1 A 76 76 ALA N N 76 121.109 121.286 -0.177 1
1 890 . 3 1 1 A 76 76 ALA H H 76 8.813 8.447 0.366 1
1 891 . 3 1 1 A 76 76 ALA CA C 76 55.181 54.758 0.423 1
1 892 . 3 1 1 A 76 76 ALA HA H 76 4.092 4.034 0.058 1
1 893 . 3 1 1 A 76 76 ALA CB C 76 19.324 18.739 0.585 1
1 897 . 3 1 1 A 76 76 ALA C C 76 180.373 179.534 0.839 1
1 898 . 3 1 1 A 77 77 GLU N N 77 120.309 118.520 1.789 1
1 899 . 3 1 1 A 77 77 GLU H H 77 8.257 7.935 0.322 1
1 900 . 3 1 1 A 77 77 GLU CA C 77 59.818 58.595 1.223 1
1 901 . 3 1 1 A 77 77 GLU HA H 77 3.982 4.227 -0.245 1
1 902 . 3 1 1 A 77 77 GLU CB C 77 30.530 29.885 0.645 1
1 908 . 3 1 1 A 77 77 GLU C C 77 178.591 178.259 0.332 1
1 909 . 3 1 1 A 78 78 ARG N N 78 119.060 119.617 -0.557 1
1 910 . 3 1 1 A 78 78 ARG H H 78 8.325 8.075 0.250 1
1 911 . 3 1 1 A 78 78 ARG CA C 78 59.232 58.169 1.063 1
1 912 . 3 1 1 A 78 78 ARG HA H 78 4.048 4.223 -0.175 1
1 913 . 3 1 1 A 78 78 ARG CB C 78 31.462 30.467 0.995 1
1 924 . 3 1 1 A 78 78 ARG C C 78 178.327 177.760 0.567 1
1 925 . 3 1 1 A 79 79 GLU N N 79 114.012 117.543 -3.531 1
1 926 . 3 1 1 A 79 79 GLU H H 79 8.878 7.991 0.887 1
1 927 . 3 1 1 A 79 79 GLU CA C 79 56.599 57.944 -1.345 1
1 928 . 3 1 1 A 79 79 GLU HA H 79 4.329 4.347 -0.018 1
1 929 . 3 1 1 A 79 79 GLU CB C 79 28.771 30.556 -1.785 1
1 935 . 3 1 1 A 79 79 GLU C C 79 178.301 178.091 0.210 1
1 936 . 3 1 1 A 80 80 PHE N N 80 113.394 117.134 -3.740 1
1 937 . 3 1 1 A 80 80 PHE H H 80 6.906 7.372 -0.466 1
1 938 . 3 1 1 A 80 80 PHE CA C 80 53.518 58.005 -4.487 1
1 939 . 3 1 1 A 80 80 PHE HA H 80 5.246 4.546 0.700 1
1 940 . 3 1 1 A 80 80 PHE CB C 80 39.910 39.230 0.680 1
1 953 . 3 1 1 A 80 80 PHE C C 80 176.487 176.034 0.453 1
1 954 . 3 1 1 A 81 81 GLY N N 81 108.698 109.163 -0.465 1
1 955 . 3 1 1 A 81 81 GLY H H 81 7.352 7.954 -0.602 1
1 956 . 3 1 1 A 81 81 GLY CA C 81 46.520 46.341 0.179 1
1 957 . 3 1 1 A 81 81 GLY HA2 H 81 3.975 3.967 0.008 1
1 958 . 3 1 1 A 81 81 GLY HA3 H 81 3.975 3.969 0.006 1
1 959 . 3 1 1 A 81 81 GLY C C 81 174.711 174.592 0.119 1
1 960 . 3 1 1 A 82 82 ILE N N 82 122.486 122.801 -0.315 1
1 961 . 3 1 1 A 82 82 ILE H H 82 7.507 7.945 -0.438 1
1 962 . 3 1 1 A 82 82 ILE CA C 82 58.810 58.440 0.370 1
1 963 . 3 1 1 A 82 82 ILE HA H 82 4.285 4.239 0.046 1
1 964 . 3 1 1 A 82 82 ILE CB C 82 39.376 38.587 0.789 1
1 977 . 3 1 1 A 82 82 ILE C C 82 172.836 174.706 -1.870 1
1 978 . 3 1 1 A 83 83 PRO CA C 83 60.989 61.725 -0.736 1
1 979 . 3 1 1 A 83 83 PRO HA H 83 4.589 4.668 -0.079 1
1 980 . 3 1 1 A 83 83 PRO CB C 83 31.107 31.878 -0.771 1
1 989 . 3 1 1 A 84 84 PRO CA C 84 62.860 62.457 0.403 1
1 990 . 3 1 1 A 84 84 PRO HA H 84 4.405 4.234 0.171 1
1 991 . 3 1 1 A 84 84 PRO CB C 84 32.638 32.232 0.406 1
1 1000 . 3 1 1 A 84 84 PRO C C 84 177.894 177.000 0.894 1
1 1001 . 3 1 1 A 85 85 VAL N N 85 114.062 116.191 -2.129 1
1 1002 . 3 1 1 A 85 85 VAL H H 85 6.621 7.514 -0.893 1
1 1003 . 3 1 1 A 85 85 VAL CA C 85 61.000 63.701 -2.701 1
1 1004 . 3 1 1 A 85 85 VAL HA H 85 4.080 3.882 0.198 1
1 1005 . 3 1 1 A 85 85 VAL CB C 85 32.725 31.952 0.773 1
1 1015 . 3 1 1 A 85 85 VAL C C 85 174.315 175.505 -1.190 1
1 1016 . 3 1 1 A 86 86 THR N N 86 114.774 114.727 0.047 1
1 1017 . 3 1 1 A 86 86 THR H H 86 6.827 7.527 -0.700 1
1 1018 . 3 1 1 A 86 86 THR CA C 86 59.336 59.308 0.028 1
1 1019 . 3 1 1 A 86 86 THR HA H 86 4.442 4.760 -0.318 1
1 1020 . 3 1 1 A 86 86 THR CB C 86 68.016 72.021 -4.005 1
1 1026 . 3 1 1 A 86 86 THR C C 86 172.724 172.871 -0.147 1
1 1027 . 3 1 1 A 87 87 THR N N 87 109.655 116.235 -6.580 1
1 1028 . 3 1 1 A 87 87 THR H H 87 8.313 8.698 -0.385 1
1 1029 . 3 1 1 A 87 87 THR CA C 87 59.870 60.348 -0.478 1
1 1030 . 3 1 1 A 87 87 THR HA H 87 5.000 4.859 0.141 1
1 1031 . 3 1 1 A 87 87 THR CB C 87 72.527 70.239 2.288 1
1 1037 . 3 1 1 A 87 87 THR C C 87 176.440 175.843 0.597 1
1 1038 . 3 1 1 A 88 88 GLY N N 88 110.531 111.000 -0.469 1
1 1039 . 3 1 1 A 88 88 GLY H H 88 9.655 9.106 0.549 1
1 1040 . 3 1 1 A 88 88 GLY CA C 88 49.124 47.548 1.576 1
1 1041 . 3 1 1 A 88 88 GLY HA2 H 88 4.115 3.864 0.251 1
1 1042 . 3 1 1 A 88 88 GLY HA3 H 88 3.755 3.959 -0.204 1
1 1043 . 3 1 1 A 88 88 GLY C C 88 175.154 175.907 -0.753 1
1 1044 . 3 1 1 A 89 89 LYS N N 89 119.606 121.666 -2.060 1
1 1045 . 3 1 1 A 89 89 LYS H H 89 8.542 8.125 0.417 1
1 1046 . 3 1 1 A 89 89 LYS CA C 89 59.687 59.622 0.065 1
1 1047 . 3 1 1 A 89 89 LYS HA H 89 4.030 3.978 0.052 1
1 1048 . 3 1 1 A 89 89 LYS CB C 89 32.733 32.300 0.433 1
1 1060 . 3 1 1 A 89 89 LYS C C 89 178.921 179.209 -0.288 1
1 1061 . 3 1 1 A 90 90 GLU N N 90 118.992 119.738 -0.746 1
1 1062 . 3 1 1 A 90 90 GLU H H 90 7.610 7.994 -0.384 1
1 1063 . 3 1 1 A 90 90 GLU CA C 90 59.238 59.486 -0.248 1
1 1064 . 3 1 1 A 90 90 GLU HA H 90 4.008 4.070 -0.062 1
1 1065 . 3 1 1 A 90 90 GLU CB C 90 29.946 29.443 0.503 1
1 1071 . 3 1 1 A 90 90 GLU C C 90 179.366 178.740 0.626 1
1 1072 . 3 1 1 A 91 91 MET N N 91 120.109 119.589 0.520 1
1 1073 . 3 1 1 A 91 91 MET H H 91 8.468 8.558 -0.090 1
1 1074 . 3 1 1 A 91 91 MET CA C 91 57.606 58.605 -0.999 1
1 1075 . 3 1 1 A 91 91 MET HA H 91 4.355 4.032 0.323 1
1 1076 . 3 1 1 A 91 91 MET CB C 91 32.364 32.497 -0.133 1
1 1086 . 3 1 1 A 91 91 MET C C 91 177.168 178.285 -1.117 1
1 1087 . 3 1 1 A 92 92 ALA N N 92 115.912 121.942 -6.030 1
1 1088 . 3 1 1 A 92 92 ALA H H 92 7.876 7.637 0.239 1
1 1089 . 3 1 1 A 92 92 ALA CA C 92 53.278 55.096 -1.818 1
1 1090 . 3 1 1 A 92 92 ALA HA H 92 4.316 4.237 0.079 1
1 1091 . 3 1 1 A 92 92 ALA CB C 92 20.275 18.415 1.860 1
1 1095 . 3 1 1 A 92 92 ALA C C 92 178.672 179.492 -0.820 1
1 1096 . 3 1 1 A 93 93 SER N N 93 111.760 113.485 -1.725 1
1 1097 . 3 1 1 A 93 93 SER H H 93 7.431 8.041 -0.610 1
1 1098 . 3 1 1 A 93 93 SER CA C 93 58.584 62.301 -3.717 1
1 1099 . 3 1 1 A 93 93 SER HA H 93 4.471 4.170 0.301 1
1 1100 . 3 1 1 A 93 93 SER CB C 93 64.582 62.869 1.713 1
1 1103 . 3 1 1 A 93 93 SER C C 93 173.576 175.867 -2.291 1
1 1104 . 3 1 1 A 94 94 ALA N N 94 123.381 121.551 1.830 1
1 1105 . 3 1 1 A 94 94 ALA H H 94 7.903 7.655 0.248 1
1 1106 . 3 1 1 A 94 94 ALA CA C 94 52.760 52.883 -0.123 1
1 1107 . 3 1 1 A 94 94 ALA HA H 94 4.267 4.181 0.086 1
1 1108 . 3 1 1 A 94 94 ALA CB C 94 18.364 18.953 -0.589 1
1 1112 . 3 1 1 A 94 94 ALA C C 94 177.611 178.367 -0.756 1
1 1113 . 3 1 1 A 95 95 GLN N N 95 120.874 123.715 -2.841 1
1 1114 . 3 1 1 A 95 95 GLN H H 95 8.305 8.734 -0.429 1
1 1115 . 3 1 1 A 95 95 GLN CA C 95 56.821 58.742 -1.921 1
1 1116 . 3 1 1 A 95 95 GLN HA H 95 4.185 4.161 0.024 1
1 1117 . 3 1 1 A 95 95 GLN CB C 95 29.052 27.999 1.053 1
1 1126 . 3 1 1 A 95 95 GLN C C 95 175.975 175.414 0.561 1
1 1127 . 3 1 1 A 96 96 GLU N N 96 120.251 119.680 0.571 1
1 1128 . 3 1 1 A 96 96 GLU H H 96 8.402 7.926 0.476 1
1 1129 . 3 1 1 A 96 96 GLU CA C 96 54.378 53.125 1.253 1
1 1130 . 3 1 1 A 96 96 GLU HA H 96 4.537 4.728 -0.191 1
1 1131 . 3 1 1 A 96 96 GLU CB C 96 30.216 30.972 -0.756 1
1 1137 . 3 1 1 A 96 96 GLU C C 96 173.618 174.054 -0.436 1
1 1138 . 3 1 1 A 97 97 PRO CA C 97 62.763 62.395 0.368 1
1 1139 . 3 1 1 A 97 97 PRO HA H 97 4.362 4.592 -0.230 1
1 1140 . 3 1 1 A 97 97 PRO CB C 97 32.356 32.662 -0.306 1
1 1149 . 3 1 1 A 97 97 PRO C C 97 174.841 175.870 -1.029 1
1 1150 . 3 1 1 A 98 98 ASP N N 98 120.272 121.391 -1.119 1
1 1151 . 3 1 1 A 98 98 ASP H H 98 8.396 8.618 -0.222 1
1 1152 . 3 1 1 A 98 98 ASP CA C 98 54.555 54.374 0.181 1
1 1153 . 3 1 1 A 98 98 ASP HA H 98 4.409 4.580 -0.171 1
1 1154 . 3 1 1 A 98 98 ASP CB C 98 42.248 40.274 1.974 1
1 1157 . 3 1 1 A 98 98 ASP C C 98 176.253 177.094 -0.841 1
1 1158 . 3 1 1 A 99 99 LYS N N 99 126.808 127.054 -0.246 1
1 1159 . 3 1 1 A 99 99 LYS H H 99 8.454 8.843 -0.389 1
1 1160 . 3 1 1 A 99 99 LYS CA C 99 60.158 59.123 1.035 1
1 1161 . 3 1 1 A 99 99 LYS HA H 99 3.705 3.875 -0.170 1
1 1162 . 3 1 1 A 99 99 LYS CB C 99 32.832 32.241 0.591 1
1 1174 . 3 1 1 A 99 99 LYS C C 99 177.621 178.022 -0.401 1
1 1175 . 3 1 1 A 100 100 LEU N N 100 118.450 121.351 -2.901 1
1 1176 . 3 1 1 A 100 100 LEU H H 100 8.160 7.782 0.378 1
1 1177 . 3 1 1 A 100 100 LEU CA C 100 58.094 58.154 -0.060 1
1 1178 . 3 1 1 A 100 100 LEU HA H 100 4.020 4.031 -0.011 1
1 1179 . 3 1 1 A 100 100 LEU CB C 100 40.800 41.968 -1.168 1
1 1192 . 3 1 1 A 100 100 LEU C C 100 179.776 178.196 1.580 1
1 1193 . 3 1 1 A 101 101 SER N N 101 115.644 113.984 1.660 1
1 1194 . 3 1 1 A 101 101 SER H H 101 8.047 8.108 -0.061 1
1 1195 . 3 1 1 A 101 101 SER CA C 101 61.765 60.839 0.926 1
1 1196 . 3 1 1 A 101 101 SER HA H 101 4.174 4.249 -0.075 1
1 1197 . 3 1 1 A 101 101 SER CB C 101 62.609 62.974 -0.365 1
1 1200 . 3 1 1 A 101 101 SER C C 101 176.476 176.200 0.276 1
1 1201 . 3 1 1 A 102 102 MET N N 102 120.653 119.025 1.628 1
1 1202 . 3 1 1 A 102 102 MET H H 102 8.027 7.547 0.480 1
1 1203 . 3 1 1 A 102 102 MET CA C 102 56.380 58.356 -1.976 1
1 1204 . 3 1 1 A 102 102 MET HA H 102 4.508 4.323 0.185 1
1 1205 . 3 1 1 A 102 102 MET CB C 102 30.731 33.373 -2.642 1
1 1215 . 3 1 1 A 102 102 MET C C 102 178.903 178.283 0.620 1
1 1216 . 3 1 1 A 103 103 VAL N N 103 119.836 119.920 -0.084 1
1 1217 . 3 1 1 A 103 103 VAL H H 103 8.556 8.011 0.545 1
1 1218 . 3 1 1 A 103 103 VAL CA C 103 67.049 66.663 0.386 1
1 1219 . 3 1 1 A 103 103 VAL HA H 103 3.370 3.504 -0.134 1
1 1220 . 3 1 1 A 103 103 VAL CB C 103 31.583 31.424 0.159 1
1 1230 . 3 1 1 A 103 103 VAL C C 103 179.225 178.266 0.959 1
1 1231 . 3 1 1 A 104 104 MET N N 104 120.390 118.944 1.446 1
1 1232 . 3 1 1 A 104 104 MET H H 104 8.112 8.460 -0.348 1
1 1233 . 3 1 1 A 104 104 MET CA C 104 58.991 58.347 0.644 1
1 1234 . 3 1 1 A 104 104 MET HA H 104 4.047 4.191 -0.144 1
1 1235 . 3 1 1 A 104 104 MET CB C 104 31.979 32.228 -0.249 1
1 1245 . 3 1 1 A 104 104 MET C C 104 178.210 178.062 0.148 1
1 1246 . 3 1 1 A 105 105 TYR N N 105 120.956 121.888 -0.932 1
1 1247 . 3 1 1 A 105 105 TYR H H 105 8.185 7.982 0.203 1
1 1248 . 3 1 1 A 105 105 TYR CA C 105 61.449 61.572 -0.123 1
1 1249 . 3 1 1 A 105 105 TYR HA H 105 4.317 4.082 0.235 1
1 1250 . 3 1 1 A 105 105 TYR CB C 105 40.259 38.974 1.285 1
1 1261 . 3 1 1 A 105 105 TYR C C 105 177.805 177.368 0.437 1
1 1262 . 3 1 1 A 106 106 LEU N N 106 116.468 120.778 -4.310 1
1 1263 . 3 1 1 A 106 106 LEU H H 106 9.088 8.466 0.622 1
1 1264 . 3 1 1 A 106 106 LEU CA C 106 57.744 58.111 -0.367 1
1 1265 . 3 1 1 A 106 106 LEU HA H 106 4.139 4.005 0.134 1
1 1266 . 3 1 1 A 106 106 LEU CB C 106 42.285 41.254 1.031 1
1 1279 . 3 1 1 A 106 106 LEU C C 106 180.758 179.048 1.710 1
1 1280 . 3 1 1 A 107 107 SER N N 107 114.570 114.023 0.547 1
1 1281 . 3 1 1 A 107 107 SER H H 107 8.338 7.959 0.379 1
1 1282 . 3 1 1 A 107 107 SER CA C 107 63.030 62.251 0.779 1
1 1283 . 3 1 1 A 107 107 SER HA H 107 4.016 4.087 -0.071 1
1 1284 . 3 1 1 A 107 107 SER CB C 107 62.866 62.920 -0.054 1
1 1287 . 3 1 1 A 107 107 SER C C 107 175.377 176.328 -0.951 1
1 1288 . 3 1 1 A 108 108 LYS N N 108 120.221 121.527 -1.306 1
1 1289 . 3 1 1 A 108 108 LYS H H 108 7.522 8.045 -0.523 1
1 1290 . 3 1 1 A 108 108 LYS CA C 108 58.870 58.963 -0.093 1
1 1291 . 3 1 1 A 108 108 LYS HA H 108 3.910 3.823 0.087 1
1 1292 . 3 1 1 A 108 108 LYS CB C 108 31.719 31.732 -0.013 1
1 1304 . 3 1 1 A 108 108 LYS C C 108 179.587 179.272 0.315 1
1 1305 . 3 1 1 A 109 109 PHE N N 109 118.900 119.410 -0.510 1
1 1306 . 3 1 1 A 109 109 PHE H H 109 7.282 7.750 -0.468 1
1 1307 . 3 1 1 A 109 109 PHE CA C 109 61.501 60.142 1.359 1
1 1308 . 3 1 1 A 109 109 PHE HA H 109 3.550 4.016 -0.466 1
1 1309 . 3 1 1 A 109 109 PHE CB C 109 38.201 38.567 -0.366 1
1 1322 . 3 1 1 A 109 109 PHE C C 109 176.181 178.295 -2.114 1
1 1323 . 3 1 1 A 110 110 TYR N N 110 120.089 119.121 0.968 1
1 1324 . 3 1 1 A 110 110 TYR H H 110 7.417 8.258 -0.841 1
1 1325 . 3 1 1 A 110 110 TYR CA C 110 60.263 61.382 -1.119 1
1 1326 . 3 1 1 A 110 110 TYR HA H 110 2.584 3.050 -0.466 1
1 1327 . 3 1 1 A 110 110 TYR CB C 110 38.138 38.783 -0.645 1
1 1338 . 3 1 1 A 110 110 TYR C C 110 176.298 176.803 -0.505 1
1 1339 . 3 1 1 A 111 111 GLU N N 111 115.750 118.275 -2.525 1
1 1340 . 3 1 1 A 111 111 GLU H H 111 7.899 8.531 -0.632 1
1 1341 . 3 1 1 A 111 111 GLU CA C 111 58.712 59.011 -0.299 1
1 1342 . 3 1 1 A 111 111 GLU HA H 111 3.528 3.398 0.130 1
1 1343 . 3 1 1 A 111 111 GLU CB C 111 29.429 28.989 0.440 1
1 1349 . 3 1 1 A 111 111 GLU C C 111 178.367 178.774 -0.407 1
1 1350 . 3 1 1 A 112 112 LEU N N 112 118.646 121.515 -2.869 1
1 1351 . 3 1 1 A 112 112 LEU H H 112 6.922 8.005 -1.083 1
1 1352 . 3 1 1 A 112 112 LEU CA C 112 57.107 58.077 -0.970 1
1 1353 . 3 1 1 A 112 112 LEU HA H 112 3.775 3.758 0.017 1
1 1354 . 3 1 1 A 112 112 LEU CB C 112 42.499 41.491 1.008 1
1 1367 . 3 1 1 A 112 112 LEU C C 112 178.820 178.132 0.688 1
1 1368 . 3 1 1 A 113 113 PHE N N 113 114.884 117.669 -2.785 1
1 1369 . 3 1 1 A 113 113 PHE H H 113 7.723 8.416 -0.693 1
1 1370 . 3 1 1 A 113 113 PHE CA C 113 57.108 61.192 -4.084 1
1 1371 . 3 1 1 A 113 113 PHE HA H 113 4.495 4.119 0.376 1
1 1372 . 3 1 1 A 113 113 PHE CB C 113 38.324 38.743 -0.419 1
1 1385 . 3 1 1 A 113 113 PHE C C 113 177.445 177.941 -0.496 1
1 1386 . 3 1 1 A 114 114 ARG N N 114 119.913 119.013 0.900 1
1 1387 . 3 1 1 A 114 114 ARG H H 114 7.840 8.159 -0.319 1
1 1388 . 3 1 1 A 114 114 ARG CA C 114 57.747 58.918 -1.171 1
1 1389 . 3 1 1 A 114 114 ARG HA H 114 4.164 3.976 0.188 1
1 1390 . 3 1 1 A 114 114 ARG CB C 114 28.994 29.924 -0.930 1
1 1399 . 3 1 1 A 114 114 ARG C C 114 177.051 176.115 0.936 1
1 1400 . 3 1 1 A 115 115 GLY N N 115 108.376 106.354 2.022 1
1 1401 . 3 1 1 A 115 115 GLY H H 115 8.070 7.437 0.633 1
1 1402 . 3 1 1 A 115 115 GLY CA C 115 45.201 45.072 0.129 1
1 1403 . 3 1 1 A 115 115 GLY HA2 H 115 3.873 4.052 -0.179 1
1 1404 . 3 1 1 A 115 115 GLY HA3 H 115 3.988 4.073 -0.085 1
1 1405 . 3 1 1 A 115 115 GLY C C 115 173.987 172.445 1.542 1
1 1406 . 3 1 1 A 116 116 THR N N 116 116.618 116.624 -0.006 1
1 1407 . 3 1 1 A 116 116 THR H H 116 7.858 8.263 -0.405 1
1 1408 . 3 1 1 A 116 116 THR CA C 116 60.032 59.111 0.921 1
1 1409 . 3 1 1 A 116 116 THR HA H 116 4.620 4.890 -0.270 1
1 1410 . 3 1 1 A 116 116 THR CB C 116 70.082 71.721 -1.639 1
1 1416 . 3 1 1 A 116 116 THR C C 116 172.615 172.315 0.300 1
1 1417 . 3 1 1 A 117 117 PRO CA C 117 63.086 62.115 0.971 1
1 1418 . 3 1 1 A 117 117 PRO HA H 117 4.451 4.545 -0.094 1
1 1419 . 3 1 1 A 117 117 PRO CB C 117 32.220 32.849 -0.629 1
1 1428 . 3 1 1 A 117 117 PRO C C 117 176.812 176.615 0.197 1
1 1429 . 3 1 1 A 118 118 LEU N N 118 122.695 118.039 4.656 1
1 1430 . 3 1 1 A 118 118 LEU H H 118 8.424 8.417 0.007 1
1 1431 . 3 1 1 A 118 118 LEU CA C 118 55.266 53.136 2.130 1
1 1432 . 3 1 1 A 118 118 LEU HA H 118 4.276 4.610 -0.334 1
1 1433 . 3 1 1 A 118 118 LEU CB C 118 42.339 43.681 -1.342 1
1 1446 . 3 1 1 A 118 118 LEU C C 118 177.027 175.806 1.221 1
1 1447 . 3 1 1 A 119 119 ARG N N 119 122.979 119.252 3.727 1
1 1448 . 3 1 1 A 119 119 ARG H H 119 8.250 8.905 -0.655 1
1 1449 . 3 1 1 A 119 119 ARG CA C 119 53.688 52.623 1.065 1
1 1450 . 3 1 1 A 119 119 ARG HA H 119 4.644 4.846 -0.202 1
1 1451 . 3 1 1 A 119 119 ARG CB C 119 30.469 33.010 -2.541 1
1 1460 . 3 1 1 A 119 119 ARG C C 119 174.019 173.570 0.449 1
1 1461 . 3 1 1 A 120 120 PRO CA C 120 63.366 62.334 1.032 1
1 1462 . 3 1 1 A 120 120 PRO HA H 120 4.440 4.533 -0.093 1
1 1463 . 3 1 1 A 120 120 PRO CB C 120 31.958 32.831 -0.873 1
1 1472 . 3 1 1 A 120 120 PRO C C 120 176.104 176.574 -0.470 1
1 1 . 4 1 1 A 6 6 SER CA C 6 58.867 56.878 1.989 1
1 2 . 4 1 1 A 6 6 SER HA H 6 4.432 5.242 -0.810 1
1 3 . 4 1 1 A 6 6 SER CB C 6 63.603 66.634 -3.031 1
1 6 . 4 1 1 A 6 6 SER C C 6 175.018 173.592 1.426 1
1 7 . 4 1 1 A 7 7 GLY N N 7 110.530 109.900 0.630 1
1 8 . 4 1 1 A 7 7 GLY H H 7 8.382 8.410 -0.028 1
1 9 . 4 1 1 A 7 7 GLY CA C 7 45.311 43.875 1.436 1
1 10 . 4 1 1 A 7 7 GLY HA2 H 7 3.922 4.138 -0.216 1
1 11 . 4 1 1 A 7 7 GLY HA3 H 7 3.922 4.138 -0.216 1
1 12 . 4 1 1 A 7 7 GLY C C 7 173.740 173.403 0.337 1
1 13 . 4 1 1 A 8 8 ASP N N 8 120.471 119.323 1.148 1
1 14 . 4 1 1 A 8 8 ASP H H 8 8.121 8.367 -0.246 1
1 15 . 4 1 1 A 8 8 ASP CA C 8 54.214 53.970 0.244 1
1 16 . 4 1 1 A 8 8 ASP HA H 8 4.560 4.906 -0.346 1
1 17 . 4 1 1 A 8 8 ASP CB C 8 41.172 41.451 -0.279 1
1 20 . 4 1 1 A 8 8 ASP C C 8 176.082 176.062 0.020 1
1 21 . 4 1 1 A 9 9 ILE N N 9 121.785 122.978 -1.193 1
1 22 . 4 1 1 A 9 9 ILE H H 9 8.115 8.852 -0.737 1
1 23 . 4 1 1 A 9 9 ILE CA C 9 60.327 61.478 -1.151 1
1 24 . 4 1 1 A 9 9 ILE HA H 9 4.083 4.237 -0.154 1
1 25 . 4 1 1 A 9 9 ILE CB C 9 38.394 37.630 0.764 1
1 38 . 4 1 1 A 9 9 ILE C C 9 175.579 175.507 0.072 1
1 39 . 4 1 1 A 10 10 ARG N N 10 125.977 126.801 -0.824 1
1 40 . 4 1 1 A 10 10 ARG H H 10 8.319 8.900 -0.581 1
1 41 . 4 1 1 A 10 10 ARG CA C 10 54.661 61.248 -6.587 1
1 42 . 4 1 1 A 10 10 ARG HA H 10 4.493 4.015 0.478 1
1 43 . 4 1 1 A 10 10 ARG CB C 10 29.730 29.365 0.365 1
1 52 . 4 1 1 A 10 10 ARG C C 10 175.511 176.696 -1.185 1
1 53 . 4 1 1 A 11 11 PRO CA C 11 65.595 64.363 1.232 1
1 54 . 4 1 1 A 11 11 PRO HA H 11 4.064 4.382 -0.318 1
1 55 . 4 1 1 A 11 11 PRO CB C 11 31.690 31.904 -0.214 1
1 64 . 4 1 1 A 12 12 SER CA C 12 60.656 61.779 -1.123 1
1 65 . 4 1 1 A 12 12 SER HA H 12 4.194 4.092 0.102 1
1 66 . 4 1 1 A 12 12 SER CB C 12 62.321 63.040 -0.719 1
1 69 . 4 1 1 A 13 13 LYS H H 13 7.510 8.074 -0.564 1
1 70 . 4 1 1 A 13 13 LYS CA C 13 58.585 60.102 -1.517 1
1 71 . 4 1 1 A 13 13 LYS HA H 13 4.186 3.941 0.245 1
1 72 . 4 1 1 A 13 13 LYS CB C 13 32.274 32.520 -0.246 1
1 84 . 4 1 1 A 13 13 LYS C C 13 179.028 178.246 0.782 1
1 85 . 4 1 1 A 14 14 LEU N N 14 121.315 120.524 0.791 1
1 86 . 4 1 1 A 14 14 LEU H H 14 7.968 8.177 -0.209 1
1 87 . 4 1 1 A 14 14 LEU CA C 14 57.648 58.565 -0.917 1
1 88 . 4 1 1 A 14 14 LEU HA H 14 3.889 3.654 0.235 1
1 89 . 4 1 1 A 14 14 LEU CB C 14 42.171 41.724 0.447 1
1 102 . 4 1 1 A 14 14 LEU C C 14 178.689 178.523 0.166 1
1 103 . 4 1 1 A 15 15 LEU N N 15 120.526 119.578 0.948 1
1 104 . 4 1 1 A 15 15 LEU H H 15 8.546 8.458 0.088 1
1 105 . 4 1 1 A 15 15 LEU CA C 15 59.227 58.781 0.446 1
1 106 . 4 1 1 A 15 15 LEU HA H 15 4.038 4.092 -0.054 1
1 107 . 4 1 1 A 15 15 LEU CB C 15 40.993 41.906 -0.913 1
1 120 . 4 1 1 A 15 15 LEU C C 15 178.020 178.518 -0.498 1
1 121 . 4 1 1 A 16 16 THR N N 16 114.667 113.280 1.387 1
1 122 . 4 1 1 A 16 16 THR H H 16 7.945 7.884 0.061 1
1 123 . 4 1 1 A 16 16 THR CA C 16 66.778 66.269 0.509 1
1 124 . 4 1 1 A 16 16 THR HA H 16 4.162 3.941 0.221 1
1 125 . 4 1 1 A 16 16 THR CB C 16 68.914 68.400 0.514 1
1 131 . 4 1 1 A 16 16 THR C C 16 176.419 176.656 -0.237 1
1 132 . 4 1 1 A 17 17 TRP N N 17 122.548 121.164 1.384 1
1 133 . 4 1 1 A 17 17 TRP H H 17 8.242 8.254 -0.012 1
1 134 . 4 1 1 A 17 17 TRP CA C 17 63.006 61.466 1.540 1
1 135 . 4 1 1 A 17 17 TRP HA H 17 4.442 4.240 0.202 1
1 136 . 4 1 1 A 17 17 TRP CB C 17 28.530 30.030 -1.500 1
1 151 . 4 1 1 A 17 17 TRP C C 17 178.678 177.514 1.164 1
1 152 . 4 1 1 A 18 18 CYS N N 18 117.202 117.223 -0.021 1
1 153 . 4 1 1 A 18 18 CYS H H 18 8.993 8.051 0.942 1
1 154 . 4 1 1 A 18 18 CYS CA C 18 64.830 63.291 1.539 1
1 155 . 4 1 1 A 18 18 CYS HA H 18 3.855 3.856 -0.001 1
1 156 . 4 1 1 A 18 18 CYS CB C 18 27.945 27.250 0.695 1
1 159 . 4 1 1 A 18 18 CYS C C 18 178.411 177.226 1.185 1
1 160 . 4 1 1 A 19 19 GLN N N 19 120.296 119.749 0.547 1
1 161 . 4 1 1 A 19 19 GLN H H 19 8.696 8.569 0.127 1
1 162 . 4 1 1 A 19 19 GLN CA C 19 59.705 59.227 0.478 1
1 163 . 4 1 1 A 19 19 GLN HA H 19 3.654 3.924 -0.270 1
1 164 . 4 1 1 A 19 19 GLN CB C 19 27.820 27.986 -0.166 1
1 173 . 4 1 1 A 19 19 GLN C C 19 177.957 178.723 -0.766 1
1 174 . 4 1 1 A 20 20 GLN N N 20 119.247 118.832 0.415 1
1 175 . 4 1 1 A 20 20 GLN H H 20 8.306 7.757 0.549 1
1 176 . 4 1 1 A 20 20 GLN CA C 20 58.838 59.023 -0.185 1
1 177 . 4 1 1 A 20 20 GLN HA H 20 4.016 4.012 0.004 1
1 178 . 4 1 1 A 20 20 GLN CB C 20 28.000 28.317 -0.317 1
1 187 . 4 1 1 A 20 20 GLN C C 20 179.476 178.890 0.586 1
1 188 . 4 1 1 A 21 21 GLN N N 21 113.337 119.019 -5.682 1
1 189 . 4 1 1 A 21 21 GLN H H 21 7.999 7.850 0.149 1
1 190 . 4 1 1 A 21 21 GLN CA C 21 55.909 58.855 -2.946 1
1 191 . 4 1 1 A 21 21 GLN HA H 21 4.043 3.782 0.261 1
1 192 . 4 1 1 A 21 21 GLN CB C 21 27.676 27.784 -0.108 1
1 201 . 4 1 1 A 21 21 GLN C C 21 177.394 177.115 0.279 1
1 202 . 4 1 1 A 22 22 THR N N 22 103.485 107.507 -4.022 1
1 203 . 4 1 1 A 22 22 THR H H 22 7.119 7.537 -0.418 1
1 204 . 4 1 1 A 22 22 THR CA C 22 61.272 61.402 -0.130 1
1 205 . 4 1 1 A 22 22 THR HA H 22 4.092 4.025 0.067 1
1 206 . 4 1 1 A 22 22 THR CB C 22 69.448 68.764 0.684 1
1 212 . 4 1 1 A 22 22 THR C C 22 174.644 173.680 0.964 1
1 213 . 4 1 1 A 23 23 GLU N N 23 125.366 123.572 1.794 1
1 214 . 4 1 1 A 23 23 GLU H H 23 6.949 7.654 -0.705 1
1 215 . 4 1 1 A 23 23 GLU CA C 23 58.389 57.234 1.155 1
1 216 . 4 1 1 A 23 23 GLU HA H 23 3.999 4.269 -0.270 1
1 217 . 4 1 1 A 23 23 GLU CB C 23 29.683 30.271 -0.588 1
1 223 . 4 1 1 A 23 23 GLU C C 23 177.061 177.300 -0.239 1
1 224 . 4 1 1 A 24 24 GLY N N 24 112.717 114.928 -2.211 1
1 225 . 4 1 1 A 24 24 GLY H H 24 8.732 8.938 -0.206 1
1 226 . 4 1 1 A 24 24 GLY CA C 24 45.326 45.042 0.284 1
1 227 . 4 1 1 A 24 24 GLY HA2 H 24 3.988 3.956 0.032 1
1 228 . 4 1 1 A 24 24 GLY HA3 H 24 3.538 3.959 -0.421 1
1 229 . 4 1 1 A 24 24 GLY C C 24 174.531 173.862 0.669 1
1 230 . 4 1 1 A 25 25 TYR N N 25 120.189 119.879 0.310 1
1 231 . 4 1 1 A 25 25 TYR H H 25 7.488 7.977 -0.489 1
1 232 . 4 1 1 A 25 25 TYR CA C 25 59.028 58.154 0.874 1
1 233 . 4 1 1 A 25 25 TYR HA H 25 3.947 4.221 -0.274 1
1 234 . 4 1 1 A 25 25 TYR CB C 25 37.202 38.755 -1.553 1
1 245 . 4 1 1 A 25 25 TYR C C 25 176.354 175.389 0.965 1
1 246 . 4 1 1 A 26 26 GLN N N 26 125.301 122.348 2.953 1
1 247 . 4 1 1 A 26 26 GLN H H 26 8.877 8.464 0.413 1
1 248 . 4 1 1 A 26 26 GLN CA C 26 56.923 55.441 1.482 1
1 249 . 4 1 1 A 26 26 GLN HA H 26 3.866 4.544 -0.678 1
1 250 . 4 1 1 A 26 26 GLN CB C 26 28.808 30.154 -1.346 1
1 259 . 4 1 1 A 26 26 GLN C C 26 175.582 175.989 -0.407 1
1 260 . 4 1 1 A 27 27 HIS N N 27 111.738 116.047 -4.309 1
1 261 . 4 1 1 A 27 27 HIS H H 27 8.581 8.573 0.008 1
1 262 . 4 1 1 A 27 27 HIS CA C 27 56.937 57.102 -0.165 1
1 263 . 4 1 1 A 27 27 HIS HA H 27 4.174 4.032 0.142 1
1 264 . 4 1 1 A 27 27 HIS CB C 27 26.839 26.827 0.012 1
1 271 . 4 1 1 A 27 27 HIS C C 27 172.979 174.193 -1.214 1
1 272 . 4 1 1 A 28 28 VAL N N 28 118.229 119.105 -0.876 1
1 273 . 4 1 1 A 28 28 VAL H H 28 7.377 7.617 -0.240 1
1 274 . 4 1 1 A 28 28 VAL CA C 28 61.927 61.519 0.408 1
1 275 . 4 1 1 A 28 28 VAL HA H 28 3.922 4.279 -0.357 1
1 276 . 4 1 1 A 28 28 VAL CB C 28 33.373 33.084 0.289 1
1 286 . 4 1 1 A 28 28 VAL C C 28 174.687 173.409 1.278 1
1 287 . 4 1 1 A 29 29 ASN N N 29 125.832 127.636 -1.804 1
1 288 . 4 1 1 A 29 29 ASN H H 29 8.604 9.057 -0.453 1
1 289 . 4 1 1 A 29 29 ASN CA C 29 52.651 51.805 0.846 1
1 290 . 4 1 1 A 29 29 ASN HA H 29 4.682 5.322 -0.640 1
1 291 . 4 1 1 A 29 29 ASN CB C 29 39.124 39.615 -0.491 1
1 297 . 4 1 1 A 29 29 ASN C C 29 173.380 173.719 -0.339 1
1 298 . 4 1 1 A 30 30 VAL N N 30 125.146 126.829 -1.683 1
1 299 . 4 1 1 A 30 30 VAL H H 30 9.203 8.808 0.395 1
1 300 . 4 1 1 A 30 30 VAL CA C 30 63.838 62.625 1.213 1
1 301 . 4 1 1 A 30 30 VAL HA H 30 3.699 4.123 -0.424 1
1 302 . 4 1 1 A 30 30 VAL CB C 30 31.136 31.255 -0.119 1
1 312 . 4 1 1 A 30 30 VAL C C 30 176.046 176.242 -0.196 1
1 313 . 4 1 1 A 31 31 THR N N 31 118.952 117.941 1.011 1
1 314 . 4 1 1 A 31 31 THR H H 31 8.396 8.448 -0.052 1
1 315 . 4 1 1 A 31 31 THR CA C 31 60.985 62.125 -1.140 1
1 316 . 4 1 1 A 31 31 THR HA H 31 4.316 4.601 -0.285 1
1 317 . 4 1 1 A 31 31 THR CB C 31 70.087 70.248 -0.161 1
1 323 . 4 1 1 A 31 31 THR C C 31 173.296 174.673 -1.377 1
1 324 . 4 1 1 A 32 32 ASP N N 32 120.757 120.481 0.276 1
1 325 . 4 1 1 A 32 32 ASP H H 32 8.078 7.408 0.670 1
1 326 . 4 1 1 A 32 32 ASP CA C 32 53.069 52.988 0.081 1
1 327 . 4 1 1 A 32 32 ASP HA H 32 4.536 5.110 -0.574 1
1 328 . 4 1 1 A 32 32 ASP CB C 32 41.527 43.902 -2.375 1
1 331 . 4 1 1 A 32 32 ASP C C 32 174.931 175.391 -0.460 1
1 332 . 4 1 1 A 33 33 LEU N N 33 117.024 120.366 -3.342 1
1 333 . 4 1 1 A 33 33 LEU H H 33 8.733 8.505 0.228 1
1 334 . 4 1 1 A 33 33 LEU CA C 33 54.453 54.408 0.045 1
1 335 . 4 1 1 A 33 33 LEU HA H 33 4.834 5.132 -0.298 1
1 336 . 4 1 1 A 33 33 LEU CB C 33 41.867 42.142 -0.275 1
1 349 . 4 1 1 A 33 33 LEU C C 33 174.039 177.138 -3.099 1
1 350 . 4 1 1 A 34 34 THR N N 34 103.873 112.236 -8.363 1
1 351 . 4 1 1 A 34 34 THR H H 34 7.900 7.941 -0.041 1
1 352 . 4 1 1 A 34 34 THR CA C 34 60.434 62.532 -2.098 1
1 353 . 4 1 1 A 34 34 THR HA H 34 4.519 4.659 -0.140 1
1 354 . 4 1 1 A 34 34 THR CB C 34 70.237 70.028 0.209 1
1 360 . 4 1 1 A 34 34 THR C C 34 175.954 175.763 0.191 1
1 361 . 4 1 1 A 35 35 THR N N 35 118.103 114.255 3.848 1
1 362 . 4 1 1 A 35 35 THR H H 35 9.363 8.398 0.965 1
1 363 . 4 1 1 A 35 35 THR CA C 35 66.422 64.715 1.707 1
1 364 . 4 1 1 A 35 35 THR HA H 35 3.981 4.229 -0.248 1
1 365 . 4 1 1 A 35 35 THR CB C 35 68.720 68.770 -0.050 1
1 371 . 4 1 1 A 35 35 THR C C 35 177.778 176.861 0.917 1
1 372 . 4 1 1 A 36 36 SER N N 36 120.417 116.643 3.774 1
1 373 . 4 1 1 A 36 36 SER H H 36 10.544 8.287 2.257 1
1 374 . 4 1 1 A 36 36 SER CA C 36 61.076 62.458 -1.382 1
1 375 . 4 1 1 A 36 36 SER HA H 36 4.395 4.059 0.336 1
1 376 . 4 1 1 A 36 36 SER CB C 36 63.485 63.197 0.288 1
1 379 . 4 1 1 A 36 36 SER C C 36 173.956 175.548 -1.592 1
1 380 . 4 1 1 A 37 37 TRP N N 37 121.387 118.152 3.235 1
1 381 . 4 1 1 A 37 37 TRP H H 37 8.126 8.102 0.024 1
1 382 . 4 1 1 A 37 37 TRP CA C 37 57.689 56.508 1.181 1
1 383 . 4 1 1 A 37 37 TRP HA H 37 4.340 5.027 -0.687 1
1 384 . 4 1 1 A 37 37 TRP CB C 37 28.915 29.150 -0.235 1
1 399 . 4 1 1 A 37 37 TRP C C 37 176.751 176.919 -0.168 1
1 400 . 4 1 1 A 38 38 ARG N N 38 121.787 119.891 1.896 1
1 401 . 4 1 1 A 38 38 ARG H H 38 7.473 8.548 -1.075 1
1 402 . 4 1 1 A 38 38 ARG CA C 38 60.250 58.889 1.361 1
1 403 . 4 1 1 A 38 38 ARG HA H 38 4.065 4.215 -0.150 1
1 404 . 4 1 1 A 38 38 ARG CB C 38 30.807 29.992 0.815 1
1 415 . 4 1 1 A 38 38 ARG C C 38 177.636 178.417 -0.781 1
1 416 . 4 1 1 A 39 39 SER N N 39 110.340 114.394 -4.054 1
1 417 . 4 1 1 A 39 39 SER H H 39 8.665 7.723 0.942 1
1 418 . 4 1 1 A 39 39 SER CA C 39 59.336 59.585 -0.249 1
1 419 . 4 1 1 A 39 39 SER HA H 39 4.349 4.463 -0.114 1
1 420 . 4 1 1 A 39 39 SER CB C 39 64.907 64.136 0.771 1
1 423 . 4 1 1 A 39 39 SER C C 39 174.768 174.576 0.192 1
1 424 . 4 1 1 A 40 40 GLY N N 40 109.467 109.309 0.158 1
1 425 . 4 1 1 A 40 40 GLY H H 40 7.549 7.790 -0.241 1
1 426 . 4 1 1 A 40 40 GLY CA C 40 46.347 45.453 0.894 1
1 427 . 4 1 1 A 40 40 GLY HA2 H 40 3.875 3.890 -0.015 1
1 428 . 4 1 1 A 40 40 GLY HA3 H 40 3.915 3.949 -0.034 1
1 429 . 4 1 1 A 40 40 GLY C C 40 173.725 176.027 -2.302 1
1 430 . 4 1 1 A 41 41 LEU N N 41 117.562 122.274 -4.712 1
1 431 . 4 1 1 A 41 41 LEU H H 41 7.287 8.266 -0.979 1
1 432 . 4 1 1 A 41 41 LEU CA C 41 57.482 57.349 0.133 1
1 433 . 4 1 1 A 41 41 LEU HA H 41 3.882 3.966 -0.084 1
1 434 . 4 1 1 A 41 41 LEU CB C 41 42.615 41.590 1.025 1
1 447 . 4 1 1 A 41 41 LEU C C 41 178.159 178.751 -0.592 1
1 448 . 4 1 1 A 42 42 ALA N N 42 121.758 121.450 0.308 1
1 449 . 4 1 1 A 42 42 ALA H H 42 8.506 8.211 0.295 1
1 450 . 4 1 1 A 42 42 ALA CA C 42 55.694 55.091 0.603 1
1 451 . 4 1 1 A 42 42 ALA HA H 42 3.582 3.782 -0.200 1
1 452 . 4 1 1 A 42 42 ALA CB C 42 17.039 17.765 -0.726 1
1 456 . 4 1 1 A 42 42 ALA C C 42 178.076 179.541 -1.465 1
1 457 . 4 1 1 A 43 43 LEU N N 43 118.332 118.853 -0.521 1
1 458 . 4 1 1 A 43 43 LEU H H 43 8.933 7.606 1.327 1
1 459 . 4 1 1 A 43 43 LEU CA C 43 57.425 57.829 -0.404 1
1 460 . 4 1 1 A 43 43 LEU HA H 43 4.308 4.255 0.053 1
1 461 . 4 1 1 A 43 43 LEU CB C 43 42.068 42.047 0.021 1
1 474 . 4 1 1 A 43 43 LEU C C 43 179.198 178.389 0.809 1
1 475 . 4 1 1 A 44 44 CYS N N 44 115.098 117.154 -2.056 1
1 476 . 4 1 1 A 44 44 CYS H H 44 7.607 8.167 -0.560 1
1 477 . 4 1 1 A 44 44 CYS CA C 44 65.664 62.502 3.162 1
1 478 . 4 1 1 A 44 44 CYS HA H 44 4.035 4.124 -0.089 1
1 479 . 4 1 1 A 44 44 CYS CB C 44 27.516 26.805 0.711 1
1 482 . 4 1 1 A 44 44 CYS C C 44 176.222 177.435 -1.213 1
1 483 . 4 1 1 A 45 45 ALA N N 45 121.778 121.899 -0.121 1
1 484 . 4 1 1 A 45 45 ALA H H 45 8.435 7.947 0.488 1
1 485 . 4 1 1 A 45 45 ALA CA C 45 55.306 55.038 0.268 1
1 486 . 4 1 1 A 45 45 ALA HA H 45 3.184 4.187 -1.003 1
1 487 . 4 1 1 A 45 45 ALA CB C 45 17.395 18.012 -0.617 1
1 491 . 4 1 1 A 45 45 ALA C C 45 177.510 179.620 -2.110 1
1 492 . 4 1 1 A 46 46 ILE N N 46 116.463 117.626 -1.163 1
1 493 . 4 1 1 A 46 46 ILE H H 46 7.527 7.427 0.100 1
1 494 . 4 1 1 A 46 46 ILE CA C 46 65.137 65.031 0.106 1
1 495 . 4 1 1 A 46 46 ILE HA H 46 3.267 3.494 -0.227 1
1 496 . 4 1 1 A 46 46 ILE CB C 46 37.084 37.757 -0.673 1
1 509 . 4 1 1 A 46 46 ILE C C 46 176.744 178.785 -2.041 1
1 510 . 4 1 1 A 47 47 ILE N N 47 115.676 120.285 -4.609 1
1 511 . 4 1 1 A 47 47 ILE H H 47 7.786 7.710 0.076 1
1 512 . 4 1 1 A 47 47 ILE CA C 47 66.948 65.162 1.786 1
1 513 . 4 1 1 A 47 47 ILE HA H 47 3.754 3.898 -0.144 1
1 514 . 4 1 1 A 47 47 ILE CB C 47 38.335 37.943 0.392 1
1 527 . 4 1 1 A 47 47 ILE C C 47 176.853 178.206 -1.353 1
1 528 . 4 1 1 A 48 48 HIS N N 48 120.066 119.941 0.125 1
1 529 . 4 1 1 A 48 48 HIS H H 48 8.569 8.826 -0.257 1
1 530 . 4 1 1 A 48 48 HIS CA C 48 60.767 60.023 0.744 1
1 531 . 4 1 1 A 48 48 HIS HA H 48 3.918 4.263 -0.345 1
1 532 . 4 1 1 A 48 48 HIS CB C 48 31.245 30.362 0.883 1
1 539 . 4 1 1 A 48 48 HIS C C 48 175.841 177.195 -1.354 1
1 540 . 4 1 1 A 49 49 ARG N N 49 118.781 118.640 0.141 1
1 541 . 4 1 1 A 49 49 ARG H H 49 8.572 8.729 -0.157 1
1 542 . 4 1 1 A 49 49 ARG CA C 49 58.152 59.547 -1.395 1
1 543 . 4 1 1 A 49 49 ARG HA H 49 3.680 3.756 -0.076 1
1 544 . 4 1 1 A 49 49 ARG CB C 49 28.454 30.211 -1.757 1
1 555 . 4 1 1 A 49 49 ARG C C 49 177.830 178.811 -0.981 1
1 556 . 4 1 1 A 50 50 PHE N N 50 113.909 117.667 -3.758 1
1 557 . 4 1 1 A 50 50 PHE H H 50 6.900 7.816 -0.916 1
1 558 . 4 1 1 A 50 50 PHE CA C 50 59.885 59.885 0.000 1
1 559 . 4 1 1 A 50 50 PHE HA H 50 4.281 4.341 -0.060 1
1 560 . 4 1 1 A 50 50 PHE CB C 50 41.527 40.166 1.361 1
1 573 . 4 1 1 A 50 50 PHE C C 50 176.867 176.067 0.800 1
1 574 . 4 1 1 A 51 51 ARG N N 51 120.652 118.732 1.920 1
1 575 . 4 1 1 A 51 51 ARG H H 51 9.059 8.440 0.619 1
1 576 . 4 1 1 A 51 51 ARG CA C 51 51.499 53.768 -2.269 1
1 577 . 4 1 1 A 51 51 ARG HA H 51 4.942 4.850 0.092 1
1 578 . 4 1 1 A 51 51 ARG CB C 51 30.307 30.855 -0.548 1
1 589 . 4 1 1 A 51 51 ARG C C 51 172.670 174.648 -1.978 1
1 590 . 4 1 1 A 52 52 PRO CA C 52 64.948 64.630 0.318 1
1 591 . 4 1 1 A 52 52 PRO HA H 52 4.343 4.546 -0.203 1
1 592 . 4 1 1 A 52 52 PRO CB C 52 31.091 32.089 -0.998 1
1 601 . 4 1 1 A 52 52 PRO C C 52 177.406 177.641 -0.235 1
1 602 . 4 1 1 A 53 53 GLU N N 53 118.219 118.224 -0.005 1
1 603 . 4 1 1 A 53 53 GLU H H 53 9.784 8.283 1.501 1
1 604 . 4 1 1 A 53 53 GLU CA C 53 57.285 59.578 -2.293 1
1 605 . 4 1 1 A 53 53 GLU HA H 53 4.322 4.142 0.180 1
1 606 . 4 1 1 A 53 53 GLU CB C 53 27.771 29.337 -1.566 1
1 612 . 4 1 1 A 53 53 GLU C C 53 177.957 179.114 -1.157 1
1 613 . 4 1 1 A 54 54 LEU N N 54 119.316 118.260 1.056 1
1 614 . 4 1 1 A 54 54 LEU H H 54 8.212 7.582 0.630 1
1 615 . 4 1 1 A 54 54 LEU CA C 54 55.943 57.105 -1.162 1
1 616 . 4 1 1 A 54 54 LEU HA H 54 4.337 4.167 0.170 1
1 617 . 4 1 1 A 54 54 LEU CB C 54 43.122 42.788 0.334 1
1 630 . 4 1 1 A 54 54 LEU C C 54 177.159 177.172 -0.013 1
1 631 . 4 1 1 A 55 55 ILE N N 55 115.493 117.864 -2.371 1
1 632 . 4 1 1 A 55 55 ILE H H 55 6.990 7.326 -0.336 1
1 633 . 4 1 1 A 55 55 ILE CA C 55 59.645 60.112 -0.467 1
1 634 . 4 1 1 A 55 55 ILE HA H 55 4.230 4.758 -0.528 1
1 635 . 4 1 1 A 55 55 ILE CB C 55 43.159 42.039 1.120 1
1 648 . 4 1 1 A 55 55 ILE C C 55 173.302 174.772 -1.470 1
1 649 . 4 1 1 A 56 56 ASN N N 56 124.568 125.278 -0.710 1
1 650 . 4 1 1 A 56 56 ASN H H 56 8.984 8.920 0.064 1
1 651 . 4 1 1 A 56 56 ASN CA C 56 51.198 52.027 -0.829 1
1 652 . 4 1 1 A 56 56 ASN HA H 56 5.100 5.256 -0.156 1
1 653 . 4 1 1 A 56 56 ASN CB C 56 36.452 38.857 -2.405 1
1 659 . 4 1 1 A 56 56 ASN C C 56 175.902 175.596 0.306 1
1 660 . 4 1 1 A 57 57 PHE N N 57 126.548 125.598 0.950 1
1 661 . 4 1 1 A 57 57 PHE H H 57 7.219 8.329 -1.110 1
1 662 . 4 1 1 A 57 57 PHE CA C 57 62.399 61.915 0.484 1
1 663 . 4 1 1 A 57 57 PHE HA H 57 3.514 3.969 -0.455 1
1 664 . 4 1 1 A 57 57 PHE CB C 57 39.553 39.494 0.059 1
1 677 . 4 1 1 A 57 57 PHE C C 57 176.597 176.834 -0.237 1
1 678 . 4 1 1 A 58 58 ASP N N 58 116.755 118.960 -2.205 1
1 679 . 4 1 1 A 58 58 ASP H H 58 8.691 8.251 0.440 1
1 680 . 4 1 1 A 58 58 ASP CA C 58 56.635 57.515 -0.880 1
1 681 . 4 1 1 A 58 58 ASP HA H 58 4.324 4.313 0.011 1
1 682 . 4 1 1 A 58 58 ASP CB C 58 40.262 41.553 -1.291 1
1 685 . 4 1 1 A 58 58 ASP C C 58 176.562 178.089 -1.527 1
1 686 . 4 1 1 A 59 59 SER N N 59 112.320 114.500 -2.180 1
1 687 . 4 1 1 A 59 59 SER H H 59 7.412 8.246 -0.834 1
1 688 . 4 1 1 A 59 59 SER CA C 59 58.740 61.577 -2.837 1
1 689 . 4 1 1 A 59 59 SER HA H 59 4.365 4.327 0.038 1
1 690 . 4 1 1 A 59 59 SER CB C 59 64.598 63.191 1.407 1
1 693 . 4 1 1 A 59 59 SER C C 59 174.309 175.196 -0.887 1
1 694 . 4 1 1 A 60 60 LEU N N 60 121.693 122.152 -0.459 1
1 695 . 4 1 1 A 60 60 LEU H H 60 7.176 7.426 -0.250 1
1 696 . 4 1 1 A 60 60 LEU CA C 60 54.593 55.136 -0.543 1
1 697 . 4 1 1 A 60 60 LEU HA H 60 4.196 3.999 0.197 1
1 698 . 4 1 1 A 60 60 LEU CB C 60 40.943 41.428 -0.485 1
1 711 . 4 1 1 A 60 60 LEU C C 60 176.774 176.350 0.424 1
1 712 . 4 1 1 A 61 61 ASN N N 61 121.648 123.968 -2.320 1
1 713 . 4 1 1 A 61 61 ASN H H 61 9.391 8.570 0.821 1
1 714 . 4 1 1 A 61 61 ASN CA C 61 51.763 52.583 -0.820 1
1 715 . 4 1 1 A 61 61 ASN HA H 61 4.721 4.736 -0.015 1
1 716 . 4 1 1 A 61 61 ASN CB C 61 40.025 38.950 1.075 1
1 722 . 4 1 1 A 61 61 ASN C C 61 176.599 176.222 0.377 1
1 723 . 4 1 1 A 62 62 GLU N N 62 126.707 126.107 0.600 1
1 724 . 4 1 1 A 62 62 GLU H H 62 9.255 8.713 0.542 1
1 725 . 4 1 1 A 62 62 GLU CA C 62 58.926 58.986 -0.060 1
1 726 . 4 1 1 A 62 62 GLU HA H 62 3.688 3.959 -0.271 1
1 727 . 4 1 1 A 62 62 GLU CB C 62 29.479 28.938 0.541 1
1 733 . 4 1 1 A 62 62 GLU C C 62 176.196 178.317 -2.121 1
1 734 . 4 1 1 A 63 63 ASP N N 63 116.763 120.707 -3.944 1
1 735 . 4 1 1 A 63 63 ASP H H 63 8.317 7.958 0.359 1
1 736 . 4 1 1 A 63 63 ASP CA C 63 55.499 57.190 -1.691 1
1 737 . 4 1 1 A 63 63 ASP HA H 63 4.509 4.390 0.119 1
1 738 . 4 1 1 A 63 63 ASP CB C 63 40.697 40.696 0.001 1
1 741 . 4 1 1 A 63 63 ASP C C 63 177.195 177.110 0.085 1
1 742 . 4 1 1 A 64 64 ASP N N 64 123.036 117.609 5.427 1
1 743 . 4 1 1 A 64 64 ASP H H 64 7.422 7.853 -0.431 1
1 744 . 4 1 1 A 64 64 ASP CA C 64 52.760 53.285 -0.525 1
1 745 . 4 1 1 A 64 64 ASP HA H 64 4.949 4.937 0.012 1
1 746 . 4 1 1 A 64 64 ASP CB C 64 38.920 38.909 0.011 1
1 749 . 4 1 1 A 64 64 ASP C C 64 174.979 176.224 -1.245 1
1 750 . 4 1 1 A 65 65 ALA N N 65 123.411 123.157 0.254 1
1 751 . 4 1 1 A 65 65 ALA H H 65 7.527 8.055 -0.528 1
1 752 . 4 1 1 A 65 65 ALA CA C 65 55.750 55.373 0.377 1
1 753 . 4 1 1 A 65 65 ALA HA H 65 4.295 3.876 0.419 1
1 754 . 4 1 1 A 65 65 ALA CB C 65 19.889 18.466 1.423 1
1 758 . 4 1 1 A 65 65 ALA C C 65 181.114 179.605 1.509 1
1 759 . 4 1 1 A 66 66 VAL N N 66 119.151 118.637 0.514 1
1 760 . 4 1 1 A 66 66 VAL H H 66 8.305 8.179 0.126 1
1 761 . 4 1 1 A 66 66 VAL CA C 66 67.423 66.888 0.535 1
1 762 . 4 1 1 A 66 66 VAL HA H 66 3.292 3.544 -0.252 1
1 763 . 4 1 1 A 66 66 VAL CB C 66 31.418 31.616 -0.198 1
1 773 . 4 1 1 A 66 66 VAL C C 66 177.471 177.724 -0.253 1
1 774 . 4 1 1 A 67 67 GLU N N 67 117.895 118.813 -0.918 1
1 775 . 4 1 1 A 67 67 GLU H H 67 8.256 8.301 -0.045 1
1 776 . 4 1 1 A 67 67 GLU CA C 67 59.831 59.714 0.117 1
1 777 . 4 1 1 A 67 67 GLU HA H 67 3.901 3.954 -0.053 1
1 778 . 4 1 1 A 67 67 GLU CB C 67 28.963 29.232 -0.269 1
1 784 . 4 1 1 A 67 67 GLU C C 67 179.796 179.213 0.583 1
1 785 . 4 1 1 A 68 68 ASN N N 68 119.611 118.018 1.593 1
1 786 . 4 1 1 A 68 68 ASN H H 68 9.019 8.312 0.707 1
1 787 . 4 1 1 A 68 68 ASN CA C 68 55.797 56.575 -0.778 1
1 788 . 4 1 1 A 68 68 ASN HA H 68 4.325 4.303 0.022 1
1 789 . 4 1 1 A 68 68 ASN CB C 68 37.140 37.950 -0.810 1
1 795 . 4 1 1 A 68 68 ASN C C 68 177.193 178.036 -0.843 1
1 796 . 4 1 1 A 69 69 ASN N N 69 115.555 118.004 -2.449 1
1 797 . 4 1 1 A 69 69 ASN H H 69 7.589 7.962 -0.373 1
1 798 . 4 1 1 A 69 69 ASN CA C 69 57.155 56.159 0.996 1
1 799 . 4 1 1 A 69 69 ASN HA H 69 3.880 4.084 -0.204 1
1 800 . 4 1 1 A 69 69 ASN CB C 69 40.785 38.164 2.621 1
1 806 . 4 1 1 A 69 69 ASN C C 69 175.062 177.566 -2.504 1
1 807 . 4 1 1 A 70 70 GLN N N 70 115.794 118.222 -2.428 1
1 808 . 4 1 1 A 70 70 GLN H H 70 8.058 7.965 0.093 1
1 809 . 4 1 1 A 70 70 GLN CA C 70 58.400 59.123 -0.723 1
1 810 . 4 1 1 A 70 70 GLN HA H 70 3.591 4.156 -0.565 1
1 811 . 4 1 1 A 70 70 GLN CB C 70 29.420 28.384 1.036 1
1 820 . 4 1 1 A 70 70 GLN C C 70 176.954 178.442 -1.488 1
1 821 . 4 1 1 A 71 71 LEU N N 71 118.631 122.166 -3.535 1
1 822 . 4 1 1 A 71 71 LEU H H 71 8.090 8.389 -0.299 1
1 823 . 4 1 1 A 71 71 LEU CA C 71 58.121 58.429 -0.308 1
1 824 . 4 1 1 A 71 71 LEU HA H 71 4.291 3.995 0.296 1
1 825 . 4 1 1 A 71 71 LEU CB C 71 42.100 41.969 0.131 1
1 838 . 4 1 1 A 71 71 LEU C C 71 177.664 178.272 -0.608 1
1 839 . 4 1 1 A 72 72 ALA N N 72 119.977 120.096 -0.119 1
1 840 . 4 1 1 A 72 72 ALA H H 72 7.274 8.056 -0.782 1
1 841 . 4 1 1 A 72 72 ALA CA C 72 55.807 55.240 0.567 1
1 842 . 4 1 1 A 72 72 ALA HA H 72 3.873 4.086 -0.213 1
1 843 . 4 1 1 A 72 72 ALA CB C 72 18.412 18.590 -0.178 1
1 847 . 4 1 1 A 72 72 ALA C C 72 179.676 180.165 -0.489 1
1 848 . 4 1 1 A 73 73 PHE N N 73 115.018 116.258 -1.240 1
1 849 . 4 1 1 A 73 73 PHE H H 73 8.722 7.883 0.839 1
1 850 . 4 1 1 A 73 73 PHE CA C 73 56.889 61.872 -4.983 1
1 851 . 4 1 1 A 73 73 PHE HA H 73 4.848 4.566 0.282 1
1 852 . 4 1 1 A 73 73 PHE CB C 73 37.404 39.036 -1.632 1
1 865 . 4 1 1 A 73 73 PHE C C 73 180.123 178.012 2.111 1
1 866 . 4 1 1 A 74 74 ASP N N 74 122.136 119.456 2.680 1
1 867 . 4 1 1 A 74 74 ASP H H 74 9.262 8.688 0.574 1
1 868 . 4 1 1 A 74 74 ASP CA C 74 57.648 57.663 -0.015 1
1 869 . 4 1 1 A 74 74 ASP HA H 74 4.550 4.392 0.158 1
1 870 . 4 1 1 A 74 74 ASP CB C 74 40.073 41.643 -1.570 1
1 873 . 4 1 1 A 74 74 ASP C C 74 179.818 178.797 1.021 1
1 874 . 4 1 1 A 75 75 VAL N N 75 122.521 119.069 3.452 1
1 875 . 4 1 1 A 75 75 VAL H H 75 9.080 8.580 0.500 1
1 876 . 4 1 1 A 75 75 VAL CA C 75 66.894 66.524 0.370 1
1 877 . 4 1 1 A 75 75 VAL HA H 75 3.611 3.632 -0.021 1
1 878 . 4 1 1 A 75 75 VAL CB C 75 31.943 31.491 0.452 1
1 888 . 4 1 1 A 75 75 VAL C C 75 177.813 177.964 -0.151 1
1 889 . 4 1 1 A 76 76 ALA N N 76 121.109 122.458 -1.349 1
1 890 . 4 1 1 A 76 76 ALA H H 76 8.813 8.591 0.222 1
1 891 . 4 1 1 A 76 76 ALA CA C 76 55.181 55.440 -0.259 1
1 892 . 4 1 1 A 76 76 ALA HA H 76 4.092 4.148 -0.056 1
1 893 . 4 1 1 A 76 76 ALA CB C 76 19.324 18.359 0.965 1
1 897 . 4 1 1 A 76 76 ALA C C 76 180.373 180.402 -0.029 1
1 898 . 4 1 1 A 77 77 GLU N N 77 120.309 118.961 1.348 1
1 899 . 4 1 1 A 77 77 GLU H H 77 8.257 8.464 -0.207 1
1 900 . 4 1 1 A 77 77 GLU CA C 77 59.818 58.853 0.965 1
1 901 . 4 1 1 A 77 77 GLU HA H 77 3.982 4.222 -0.240 1
1 902 . 4 1 1 A 77 77 GLU CB C 77 30.530 29.659 0.871 1
1 908 . 4 1 1 A 77 77 GLU C C 77 178.591 178.681 -0.090 1
1 909 . 4 1 1 A 78 78 ARG N N 78 119.060 119.655 -0.595 1
1 910 . 4 1 1 A 78 78 ARG H H 78 8.325 7.737 0.588 1
1 911 . 4 1 1 A 78 78 ARG CA C 78 59.232 58.131 1.101 1
1 912 . 4 1 1 A 78 78 ARG HA H 78 4.048 4.292 -0.244 1
1 913 . 4 1 1 A 78 78 ARG CB C 78 31.462 31.177 0.285 1
1 924 . 4 1 1 A 78 78 ARG C C 78 178.327 178.608 -0.281 1
1 925 . 4 1 1 A 79 79 GLU N N 79 114.012 118.459 -4.447 1
1 926 . 4 1 1 A 79 79 GLU H H 79 8.878 8.596 0.282 1
1 927 . 4 1 1 A 79 79 GLU CA C 79 56.599 58.658 -2.059 1
1 928 . 4 1 1 A 79 79 GLU HA H 79 4.329 4.007 0.322 1
1 929 . 4 1 1 A 79 79 GLU CB C 79 28.771 29.685 -0.914 1
1 935 . 4 1 1 A 79 79 GLU C C 79 178.301 178.855 -0.554 1
1 936 . 4 1 1 A 80 80 PHE N N 80 113.394 117.196 -3.802 1
1 937 . 4 1 1 A 80 80 PHE H H 80 6.906 7.438 -0.532 1
1 938 . 4 1 1 A 80 80 PHE CA C 80 53.518 58.025 -4.507 1
1 939 . 4 1 1 A 80 80 PHE HA H 80 5.246 4.581 0.665 1
1 940 . 4 1 1 A 80 80 PHE CB C 80 39.910 39.242 0.668 1
1 953 . 4 1 1 A 80 80 PHE C C 80 176.487 175.979 0.508 1
1 954 . 4 1 1 A 81 81 GLY N N 81 108.698 109.047 -0.349 1
1 955 . 4 1 1 A 81 81 GLY H H 81 7.352 8.025 -0.673 1
1 956 . 4 1 1 A 81 81 GLY CA C 81 46.520 46.796 -0.276 1
1 957 . 4 1 1 A 81 81 GLY HA2 H 81 3.975 3.977 -0.002 1
1 958 . 4 1 1 A 81 81 GLY HA3 H 81 3.975 3.981 -0.006 1
1 959 . 4 1 1 A 81 81 GLY C C 81 174.711 174.566 0.145 1
1 960 . 4 1 1 A 82 82 ILE N N 82 122.486 122.172 0.314 1
1 961 . 4 1 1 A 82 82 ILE H H 82 7.507 8.494 -0.987 1
1 962 . 4 1 1 A 82 82 ILE CA C 82 58.810 58.131 0.679 1
1 963 . 4 1 1 A 82 82 ILE HA H 82 4.285 4.388 -0.103 1
1 964 . 4 1 1 A 82 82 ILE CB C 82 39.376 39.339 0.037 1
1 977 . 4 1 1 A 82 82 ILE C C 82 172.836 174.809 -1.973 1
1 978 . 4 1 1 A 83 83 PRO CA C 83 60.989 62.100 -1.111 1
1 979 . 4 1 1 A 83 83 PRO HA H 83 4.589 4.695 -0.106 1
1 980 . 4 1 1 A 83 83 PRO CB C 83 31.107 32.327 -1.220 1
1 989 . 4 1 1 A 84 84 PRO CA C 84 62.860 62.677 0.183 1
1 990 . 4 1 1 A 84 84 PRO HA H 84 4.405 4.554 -0.149 1
1 991 . 4 1 1 A 84 84 PRO CB C 84 32.638 32.317 0.321 1
1 1000 . 4 1 1 A 84 84 PRO C C 84 177.894 176.843 1.051 1
1 1001 . 4 1 1 A 85 85 VAL N N 85 114.062 115.831 -1.769 1
1 1002 . 4 1 1 A 85 85 VAL H H 85 6.621 7.725 -1.104 1
1 1003 . 4 1 1 A 85 85 VAL CA C 85 61.000 62.958 -1.958 1
1 1004 . 4 1 1 A 85 85 VAL HA H 85 4.080 4.065 0.015 1
1 1005 . 4 1 1 A 85 85 VAL CB C 85 32.725 32.383 0.342 1
1 1015 . 4 1 1 A 85 85 VAL C C 85 174.315 175.645 -1.330 1
1 1016 . 4 1 1 A 86 86 THR N N 86 114.774 114.217 0.557 1
1 1017 . 4 1 1 A 86 86 THR H H 86 6.827 7.180 -0.353 1
1 1018 . 4 1 1 A 86 86 THR CA C 86 59.336 59.504 -0.168 1
1 1019 . 4 1 1 A 86 86 THR HA H 86 4.442 4.669 -0.227 1
1 1020 . 4 1 1 A 86 86 THR CB C 86 68.016 71.625 -3.609 1
1 1026 . 4 1 1 A 86 86 THR C C 86 172.724 172.185 0.539 1
1 1027 . 4 1 1 A 87 87 THR N N 87 109.655 115.970 -6.315 1
1 1028 . 4 1 1 A 87 87 THR H H 87 8.313 8.566 -0.253 1
1 1029 . 4 1 1 A 87 87 THR CA C 87 59.870 60.325 -0.455 1
1 1030 . 4 1 1 A 87 87 THR HA H 87 5.000 4.753 0.247 1
1 1031 . 4 1 1 A 87 87 THR CB C 87 72.527 70.525 2.002 1
1 1037 . 4 1 1 A 87 87 THR C C 87 176.440 175.803 0.637 1
1 1038 . 4 1 1 A 88 88 GLY N N 88 110.531 110.726 -0.195 1
1 1039 . 4 1 1 A 88 88 GLY H H 88 9.655 9.092 0.563 1
1 1040 . 4 1 1 A 88 88 GLY CA C 88 49.124 47.733 1.391 1
1 1041 . 4 1 1 A 88 88 GLY HA2 H 88 4.115 3.986 0.129 1
1 1042 . 4 1 1 A 88 88 GLY HA3 H 88 3.755 4.107 -0.352 1
1 1043 . 4 1 1 A 88 88 GLY C C 88 175.154 175.589 -0.435 1
1 1044 . 4 1 1 A 89 89 LYS N N 89 119.606 121.771 -2.165 1
1 1045 . 4 1 1 A 89 89 LYS H H 89 8.542 8.092 0.450 1
1 1046 . 4 1 1 A 89 89 LYS CA C 89 59.687 59.612 0.075 1
1 1047 . 4 1 1 A 89 89 LYS HA H 89 4.030 4.019 0.011 1
1 1048 . 4 1 1 A 89 89 LYS CB C 89 32.733 32.349 0.384 1
1 1060 . 4 1 1 A 89 89 LYS C C 89 178.921 179.100 -0.179 1
1 1061 . 4 1 1 A 90 90 GLU N N 90 118.992 119.543 -0.551 1
1 1062 . 4 1 1 A 90 90 GLU H H 90 7.610 7.908 -0.298 1
1 1063 . 4 1 1 A 90 90 GLU CA C 90 59.238 59.380 -0.142 1
1 1064 . 4 1 1 A 90 90 GLU HA H 90 4.008 4.106 -0.098 1
1 1065 . 4 1 1 A 90 90 GLU CB C 90 29.946 29.181 0.765 1
1 1071 . 4 1 1 A 90 90 GLU C C 90 179.366 178.591 0.775 1
1 1072 . 4 1 1 A 91 91 MET N N 91 120.109 118.886 1.223 1
1 1073 . 4 1 1 A 91 91 MET H H 91 8.468 8.624 -0.156 1
1 1074 . 4 1 1 A 91 91 MET CA C 91 57.606 58.731 -1.125 1
1 1075 . 4 1 1 A 91 91 MET HA H 91 4.355 4.035 0.320 1
1 1076 . 4 1 1 A 91 91 MET CB C 91 32.364 32.343 0.021 1
1 1086 . 4 1 1 A 91 91 MET C C 91 177.168 178.286 -1.118 1
1 1087 . 4 1 1 A 92 92 ALA N N 92 115.912 122.173 -6.261 1
1 1088 . 4 1 1 A 92 92 ALA H H 92 7.876 7.922 -0.046 1
1 1089 . 4 1 1 A 92 92 ALA CA C 92 53.278 55.156 -1.878 1
1 1090 . 4 1 1 A 92 92 ALA HA H 92 4.316 4.550 -0.234 1
1 1091 . 4 1 1 A 92 92 ALA CB C 92 20.275 18.552 1.723 1
1 1095 . 4 1 1 A 92 92 ALA C C 92 178.672 179.535 -0.863 1
1 1096 . 4 1 1 A 93 93 SER N N 93 111.760 113.519 -1.759 1
1 1097 . 4 1 1 A 93 93 SER H H 93 7.431 8.127 -0.696 1
1 1098 . 4 1 1 A 93 93 SER CA C 93 58.584 62.200 -3.616 1
1 1099 . 4 1 1 A 93 93 SER HA H 93 4.471 4.159 0.312 1
1 1100 . 4 1 1 A 93 93 SER CB C 93 64.582 62.867 1.715 1
1 1103 . 4 1 1 A 93 93 SER C C 93 173.576 175.885 -2.309 1
1 1104 . 4 1 1 A 94 94 ALA N N 94 123.381 121.402 1.979 1
1 1105 . 4 1 1 A 94 94 ALA H H 94 7.903 8.023 -0.120 1
1 1106 . 4 1 1 A 94 94 ALA CA C 94 52.760 53.375 -0.615 1
1 1107 . 4 1 1 A 94 94 ALA HA H 94 4.267 4.101 0.166 1
1 1108 . 4 1 1 A 94 94 ALA CB C 94 18.364 19.455 -1.091 1
1 1112 . 4 1 1 A 94 94 ALA C C 94 177.611 177.996 -0.385 1
1 1113 . 4 1 1 A 95 95 GLN N N 95 120.874 125.009 -4.135 1
1 1114 . 4 1 1 A 95 95 GLN H H 95 8.305 8.753 -0.448 1
1 1115 . 4 1 1 A 95 95 GLN CA C 95 56.821 58.823 -2.002 1
1 1116 . 4 1 1 A 95 95 GLN HA H 95 4.185 4.143 0.042 1
1 1117 . 4 1 1 A 95 95 GLN CB C 95 29.052 29.210 -0.158 1
1 1126 . 4 1 1 A 95 95 GLN C C 95 175.975 176.401 -0.426 1
1 1127 . 4 1 1 A 96 96 GLU N N 96 120.251 118.138 2.113 1
1 1128 . 4 1 1 A 96 96 GLU H H 96 8.402 7.895 0.507 1
1 1129 . 4 1 1 A 96 96 GLU CA C 96 54.378 52.994 1.384 1
1 1130 . 4 1 1 A 96 96 GLU HA H 96 4.537 4.706 -0.169 1
1 1131 . 4 1 1 A 96 96 GLU CB C 96 30.216 30.781 -0.565 1
1 1137 . 4 1 1 A 96 96 GLU C C 96 173.618 174.462 -0.844 1
1 1138 . 4 1 1 A 97 97 PRO CA C 97 62.763 62.300 0.463 1
1 1139 . 4 1 1 A 97 97 PRO HA H 97 4.362 4.626 -0.264 1
1 1140 . 4 1 1 A 97 97 PRO CB C 97 32.356 32.772 -0.416 1
1 1149 . 4 1 1 A 97 97 PRO C C 97 174.841 175.800 -0.959 1
1 1150 . 4 1 1 A 98 98 ASP N N 98 120.272 121.912 -1.640 1
1 1151 . 4 1 1 A 98 98 ASP H H 98 8.396 8.617 -0.221 1
1 1152 . 4 1 1 A 98 98 ASP CA C 98 54.555 53.975 0.580 1
1 1153 . 4 1 1 A 98 98 ASP HA H 98 4.409 4.700 -0.291 1
1 1154 . 4 1 1 A 98 98 ASP CB C 98 42.248 42.538 -0.290 1
1 1157 . 4 1 1 A 98 98 ASP C C 98 176.253 177.232 -0.979 1
1 1158 . 4 1 1 A 99 99 LYS N N 99 126.808 123.517 3.291 1
1 1159 . 4 1 1 A 99 99 LYS H H 99 8.454 8.722 -0.268 1
1 1160 . 4 1 1 A 99 99 LYS CA C 99 60.158 59.130 1.028 1
1 1161 . 4 1 1 A 99 99 LYS HA H 99 3.705 4.068 -0.363 1
1 1162 . 4 1 1 A 99 99 LYS CB C 99 32.832 32.005 0.827 1
1 1174 . 4 1 1 A 99 99 LYS C C 99 177.621 178.703 -1.082 1
1 1175 . 4 1 1 A 100 100 LEU N N 100 118.450 121.569 -3.119 1
1 1176 . 4 1 1 A 100 100 LEU H H 100 8.160 7.965 0.195 1
1 1177 . 4 1 1 A 100 100 LEU CA C 100 58.094 57.930 0.164 1
1 1178 . 4 1 1 A 100 100 LEU HA H 100 4.020 3.864 0.156 1
1 1179 . 4 1 1 A 100 100 LEU CB C 100 40.800 41.694 -0.894 1
1 1192 . 4 1 1 A 100 100 LEU C C 100 179.776 178.575 1.201 1
1 1193 . 4 1 1 A 101 101 SER N N 101 115.644 113.870 1.774 1
1 1194 . 4 1 1 A 101 101 SER H H 101 8.047 8.239 -0.192 1
1 1195 . 4 1 1 A 101 101 SER CA C 101 61.765 62.057 -0.292 1
1 1196 . 4 1 1 A 101 101 SER HA H 101 4.174 4.095 0.079 1
1 1197 . 4 1 1 A 101 101 SER CB C 101 62.609 62.876 -0.267 1
1 1200 . 4 1 1 A 101 101 SER C C 101 176.476 176.536 -0.060 1
1 1201 . 4 1 1 A 102 102 MET N N 102 120.653 119.978 0.675 1
1 1202 . 4 1 1 A 102 102 MET H H 102 8.027 7.692 0.335 1
1 1203 . 4 1 1 A 102 102 MET CA C 102 56.380 58.138 -1.758 1
1 1204 . 4 1 1 A 102 102 MET HA H 102 4.508 4.122 0.386 1
1 1205 . 4 1 1 A 102 102 MET CB C 102 30.731 32.659 -1.928 1
1 1215 . 4 1 1 A 102 102 MET C C 102 178.903 178.624 0.279 1
1 1216 . 4 1 1 A 103 103 VAL N N 103 119.836 119.700 0.136 1
1 1217 . 4 1 1 A 103 103 VAL H H 103 8.556 8.010 0.546 1
1 1218 . 4 1 1 A 103 103 VAL CA C 103 67.049 66.704 0.345 1
1 1219 . 4 1 1 A 103 103 VAL HA H 103 3.370 3.451 -0.081 1
1 1220 . 4 1 1 A 103 103 VAL CB C 103 31.583 31.492 0.091 1
1 1230 . 4 1 1 A 103 103 VAL C C 103 179.225 177.698 1.527 1
1 1231 . 4 1 1 A 104 104 MET N N 104 120.390 119.370 1.020 1
1 1232 . 4 1 1 A 104 104 MET H H 104 8.112 8.635 -0.523 1
1 1233 . 4 1 1 A 104 104 MET CA C 104 58.991 58.343 0.648 1
1 1234 . 4 1 1 A 104 104 MET HA H 104 4.047 4.243 -0.196 1
1 1235 . 4 1 1 A 104 104 MET CB C 104 31.979 32.247 -0.268 1
1 1245 . 4 1 1 A 104 104 MET C C 104 178.210 178.192 0.018 1
1 1246 . 4 1 1 A 105 105 TYR N N 105 120.956 122.000 -1.044 1
1 1247 . 4 1 1 A 105 105 TYR H H 105 8.185 7.813 0.372 1
1 1248 . 4 1 1 A 105 105 TYR CA C 105 61.449 61.475 -0.026 1
1 1249 . 4 1 1 A 105 105 TYR HA H 105 4.317 4.116 0.201 1
1 1250 . 4 1 1 A 105 105 TYR CB C 105 40.259 38.476 1.783 1
1 1261 . 4 1 1 A 105 105 TYR C C 105 177.805 177.360 0.445 1
1 1262 . 4 1 1 A 106 106 LEU N N 106 116.468 120.983 -4.515 1
1 1263 . 4 1 1 A 106 106 LEU H H 106 9.088 8.612 0.476 1
1 1264 . 4 1 1 A 106 106 LEU CA C 106 57.744 57.962 -0.218 1
1 1265 . 4 1 1 A 106 106 LEU HA H 106 4.139 3.928 0.211 1
1 1266 . 4 1 1 A 106 106 LEU CB C 106 42.285 41.177 1.108 1
1 1279 . 4 1 1 A 106 106 LEU C C 106 180.758 178.760 1.998 1
1 1280 . 4 1 1 A 107 107 SER N N 107 114.570 113.494 1.076 1
1 1281 . 4 1 1 A 107 107 SER H H 107 8.338 8.429 -0.091 1
1 1282 . 4 1 1 A 107 107 SER CA C 107 63.030 61.601 1.429 1
1 1283 . 4 1 1 A 107 107 SER HA H 107 4.016 4.066 -0.050 1
1 1284 . 4 1 1 A 107 107 SER CB C 107 62.866 62.880 -0.014 1
1 1287 . 4 1 1 A 107 107 SER C C 107 175.377 177.298 -1.921 1
1 1288 . 4 1 1 A 108 108 LYS N N 108 120.221 120.431 -0.210 1
1 1289 . 4 1 1 A 108 108 LYS H H 108 7.522 7.788 -0.266 1
1 1290 . 4 1 1 A 108 108 LYS CA C 108 58.870 58.873 -0.003 1
1 1291 . 4 1 1 A 108 108 LYS HA H 108 3.910 3.845 0.065 1
1 1292 . 4 1 1 A 108 108 LYS CB C 108 31.719 31.992 -0.273 1
1 1304 . 4 1 1 A 108 108 LYS C C 108 179.587 179.401 0.186 1
1 1305 . 4 1 1 A 109 109 PHE N N 109 118.900 119.708 -0.808 1
1 1306 . 4 1 1 A 109 109 PHE H H 109 7.282 7.855 -0.573 1
1 1307 . 4 1 1 A 109 109 PHE CA C 109 61.501 60.451 1.050 1
1 1308 . 4 1 1 A 109 109 PHE HA H 109 3.550 4.113 -0.563 1
1 1309 . 4 1 1 A 109 109 PHE CB C 109 38.201 38.955 -0.754 1
1 1322 . 4 1 1 A 109 109 PHE C C 109 176.181 177.932 -1.751 1
1 1323 . 4 1 1 A 110 110 TYR N N 110 120.089 119.495 0.594 1
1 1324 . 4 1 1 A 110 110 TYR H H 110 7.417 8.177 -0.760 1
1 1325 . 4 1 1 A 110 110 TYR CA C 110 60.263 61.765 -1.502 1
1 1326 . 4 1 1 A 110 110 TYR HA H 110 2.584 3.052 -0.468 1
1 1327 . 4 1 1 A 110 110 TYR CB C 110 38.138 38.377 -0.239 1
1 1338 . 4 1 1 A 110 110 TYR C C 110 176.298 177.063 -0.765 1
1 1339 . 4 1 1 A 111 111 GLU N N 111 115.750 118.531 -2.781 1
1 1340 . 4 1 1 A 111 111 GLU H H 111 7.899 8.217 -0.318 1
1 1341 . 4 1 1 A 111 111 GLU CA C 111 58.712 58.748 -0.036 1
1 1342 . 4 1 1 A 111 111 GLU HA H 111 3.528 3.628 -0.100 1
1 1343 . 4 1 1 A 111 111 GLU CB C 111 29.429 29.594 -0.165 1
1 1349 . 4 1 1 A 111 111 GLU C C 111 178.367 178.510 -0.143 1
1 1350 . 4 1 1 A 112 112 LEU N N 112 118.646 121.910 -3.264 1
1 1351 . 4 1 1 A 112 112 LEU H H 112 6.922 7.680 -0.758 1
1 1352 . 4 1 1 A 112 112 LEU CA C 112 57.107 58.015 -0.908 1
1 1353 . 4 1 1 A 112 112 LEU HA H 112 3.775 3.769 0.006 1
1 1354 . 4 1 1 A 112 112 LEU CB C 112 42.499 41.251 1.248 1
1 1367 . 4 1 1 A 112 112 LEU C C 112 178.820 177.968 0.852 1
1 1368 . 4 1 1 A 113 113 PHE N N 113 114.884 115.433 -0.549 1
1 1369 . 4 1 1 A 113 113 PHE H H 113 7.723 8.310 -0.587 1
1 1370 . 4 1 1 A 113 113 PHE CA C 113 57.108 59.544 -2.436 1
1 1371 . 4 1 1 A 113 113 PHE HA H 113 4.495 4.107 0.388 1
1 1372 . 4 1 1 A 113 113 PHE CB C 113 38.324 39.650 -1.326 1
1 1385 . 4 1 1 A 113 113 PHE C C 113 177.445 176.787 0.658 1
1 1386 . 4 1 1 A 114 114 ARG N N 114 119.913 118.979 0.934 1
1 1387 . 4 1 1 A 114 114 ARG H H 114 7.840 7.805 0.035 1
1 1388 . 4 1 1 A 114 114 ARG CA C 114 57.747 57.757 -0.010 1
1 1389 . 4 1 1 A 114 114 ARG HA H 114 4.164 3.982 0.182 1
1 1390 . 4 1 1 A 114 114 ARG CB C 114 28.994 29.639 -0.645 1
1 1399 . 4 1 1 A 114 114 ARG C C 114 177.051 176.419 0.632 1
1 1400 . 4 1 1 A 115 115 GLY N N 115 108.376 114.057 -5.681 1
1 1401 . 4 1 1 A 115 115 GLY H H 115 8.070 8.603 -0.533 1
1 1402 . 4 1 1 A 115 115 GLY CA C 115 45.201 46.303 -1.102 1
1 1403 . 4 1 1 A 115 115 GLY HA2 H 115 3.873 3.867 0.006 1
1 1404 . 4 1 1 A 115 115 GLY HA3 H 115 3.988 3.907 0.081 1
1 1405 . 4 1 1 A 115 115 GLY C C 115 173.987 173.320 0.667 1
1 1406 . 4 1 1 A 116 116 THR N N 116 116.618 116.284 0.334 1
1 1407 . 4 1 1 A 116 116 THR H H 116 7.858 8.242 -0.384 1
1 1408 . 4 1 1 A 116 116 THR CA C 116 60.032 59.221 0.811 1
1 1409 . 4 1 1 A 116 116 THR HA H 116 4.620 4.871 -0.251 1
1 1410 . 4 1 1 A 116 116 THR CB C 116 70.082 72.096 -2.014 1
1 1416 . 4 1 1 A 116 116 THR C C 116 172.615 172.346 0.269 1
1 1417 . 4 1 1 A 117 117 PRO CA C 117 63.086 62.326 0.760 1
1 1418 . 4 1 1 A 117 117 PRO HA H 117 4.451 4.395 0.056 1
1 1419 . 4 1 1 A 117 117 PRO CB C 117 32.220 32.629 -0.409 1
1 1428 . 4 1 1 A 117 117 PRO C C 117 176.812 176.576 0.236 1
1 1429 . 4 1 1 A 118 118 LEU N N 118 122.695 117.330 5.365 1
1 1430 . 4 1 1 A 118 118 LEU H H 118 8.424 8.644 -0.220 1
1 1431 . 4 1 1 A 118 118 LEU CA C 118 55.266 55.785 -0.519 1
1 1432 . 4 1 1 A 118 118 LEU HA H 118 4.276 3.725 0.551 1
1 1433 . 4 1 1 A 118 118 LEU CB C 118 42.339 40.851 1.488 1
1 1446 . 4 1 1 A 118 118 LEU C C 118 177.027 175.884 1.143 1
1 1447 . 4 1 1 A 119 119 ARG N N 119 122.979 119.689 3.290 1
1 1448 . 4 1 1 A 119 119 ARG H H 119 8.250 7.799 0.451 1
1 1449 . 4 1 1 A 119 119 ARG CA C 119 53.688 54.760 -1.072 1
1 1450 . 4 1 1 A 119 119 ARG HA H 119 4.644 4.356 0.288 1
1 1451 . 4 1 1 A 119 119 ARG CB C 119 30.469 29.670 0.799 1
1 1460 . 4 1 1 A 119 119 ARG C C 119 174.019 174.299 -0.280 1
1 1461 . 4 1 1 A 120 120 PRO CA C 120 63.366 62.723 0.643 1
1 1462 . 4 1 1 A 120 120 PRO HA H 120 4.440 4.610 -0.170 1
1 1463 . 4 1 1 A 120 120 PRO CB C 120 31.958 31.986 -0.028 1
1 1472 . 4 1 1 A 120 120 PRO C C 120 176.104 176.279 -0.175 1
1 1 . 5 1 1 A 6 6 SER CA C 6 58.867 57.604 1.263 1
1 2 . 5 1 1 A 6 6 SER HA H 6 4.432 4.650 -0.218 1
1 3 . 5 1 1 A 6 6 SER CB C 6 63.603 62.683 0.920 1
1 6 . 5 1 1 A 6 6 SER C C 6 175.018 174.251 0.767 1
1 7 . 5 1 1 A 7 7 GLY N N 7 110.530 109.607 0.923 1
1 8 . 5 1 1 A 7 7 GLY H H 7 8.382 7.854 0.528 1
1 9 . 5 1 1 A 7 7 GLY CA C 7 45.311 46.976 -1.665 1
1 10 . 5 1 1 A 7 7 GLY HA2 H 7 3.922 3.911 0.011 1
1 11 . 5 1 1 A 7 7 GLY HA3 H 7 3.922 3.912 0.010 1
1 12 . 5 1 1 A 7 7 GLY C C 7 173.740 174.526 -0.786 1
1 13 . 5 1 1 A 8 8 ASP N N 8 120.471 119.725 0.746 1
1 14 . 5 1 1 A 8 8 ASP H H 8 8.121 8.247 -0.126 1
1 15 . 5 1 1 A 8 8 ASP CA C 8 54.214 54.639 -0.425 1
1 16 . 5 1 1 A 8 8 ASP HA H 8 4.560 4.537 0.023 1
1 17 . 5 1 1 A 8 8 ASP CB C 8 41.172 40.892 0.280 1
1 20 . 5 1 1 A 8 8 ASP C C 8 176.082 175.455 0.627 1
1 21 . 5 1 1 A 9 9 ILE N N 9 121.785 126.263 -4.478 1
1 22 . 5 1 1 A 9 9 ILE H H 9 8.115 8.821 -0.706 1
1 23 . 5 1 1 A 9 9 ILE CA C 9 60.327 61.279 -0.952 1
1 24 . 5 1 1 A 9 9 ILE HA H 9 4.083 4.185 -0.102 1
1 25 . 5 1 1 A 9 9 ILE CB C 9 38.394 37.792 0.602 1
1 38 . 5 1 1 A 9 9 ILE C C 9 175.579 175.552 0.027 1
1 39 . 5 1 1 A 10 10 ARG N N 10 125.977 126.309 -0.332 1
1 40 . 5 1 1 A 10 10 ARG H H 10 8.319 8.946 -0.627 1
1 41 . 5 1 1 A 10 10 ARG CA C 10 54.661 61.150 -6.489 1
1 42 . 5 1 1 A 10 10 ARG HA H 10 4.493 3.972 0.521 1
1 43 . 5 1 1 A 10 10 ARG CB C 10 29.730 29.594 0.136 1
1 52 . 5 1 1 A 10 10 ARG C C 10 175.511 176.626 -1.115 1
1 53 . 5 1 1 A 11 11 PRO CA C 11 65.595 64.309 1.286 1
1 54 . 5 1 1 A 11 11 PRO HA H 11 4.064 4.377 -0.313 1
1 55 . 5 1 1 A 11 11 PRO CB C 11 31.690 31.711 -0.021 1
1 64 . 5 1 1 A 12 12 SER CA C 12 60.656 61.289 -0.633 1
1 65 . 5 1 1 A 12 12 SER HA H 12 4.194 4.390 -0.196 1
1 66 . 5 1 1 A 12 12 SER CB C 12 62.321 63.647 -1.326 1
1 69 . 5 1 1 A 13 13 LYS H H 13 7.510 7.392 0.118 1
1 70 . 5 1 1 A 13 13 LYS CA C 13 58.585 59.078 -0.493 1
1 71 . 5 1 1 A 13 13 LYS HA H 13 4.186 4.102 0.084 1
1 72 . 5 1 1 A 13 13 LYS CB C 13 32.274 31.990 0.284 1
1 84 . 5 1 1 A 13 13 LYS C C 13 179.028 179.219 -0.191 1
1 85 . 5 1 1 A 14 14 LEU N N 14 121.315 121.518 -0.203 1
1 86 . 5 1 1 A 14 14 LEU H H 14 7.968 7.747 0.221 1
1 87 . 5 1 1 A 14 14 LEU CA C 14 57.648 57.980 -0.332 1
1 88 . 5 1 1 A 14 14 LEU HA H 14 3.889 3.932 -0.043 1
1 89 . 5 1 1 A 14 14 LEU CB C 14 42.171 41.751 0.420 1
1 102 . 5 1 1 A 14 14 LEU C C 14 178.689 178.417 0.272 1
1 103 . 5 1 1 A 15 15 LEU N N 15 120.526 119.948 0.578 1
1 104 . 5 1 1 A 15 15 LEU H H 15 8.546 8.118 0.428 1
1 105 . 5 1 1 A 15 15 LEU CA C 15 59.227 58.195 1.032 1
1 106 . 5 1 1 A 15 15 LEU HA H 15 4.038 4.145 -0.107 1
1 107 . 5 1 1 A 15 15 LEU CB C 15 40.993 41.613 -0.620 1
1 120 . 5 1 1 A 15 15 LEU C C 15 178.020 178.713 -0.693 1
1 121 . 5 1 1 A 16 16 THR N N 16 114.667 114.569 0.098 1
1 122 . 5 1 1 A 16 16 THR H H 16 7.945 8.011 -0.066 1
1 123 . 5 1 1 A 16 16 THR CA C 16 66.778 66.771 0.007 1
1 124 . 5 1 1 A 16 16 THR HA H 16 4.162 3.982 0.180 1
1 125 . 5 1 1 A 16 16 THR CB C 16 68.914 68.687 0.227 1
1 131 . 5 1 1 A 16 16 THR C C 16 176.419 176.513 -0.094 1
1 132 . 5 1 1 A 17 17 TRP N N 17 122.548 121.275 1.273 1
1 133 . 5 1 1 A 17 17 TRP H H 17 8.242 8.217 0.025 1
1 134 . 5 1 1 A 17 17 TRP CA C 17 63.006 61.587 1.419 1
1 135 . 5 1 1 A 17 17 TRP HA H 17 4.442 4.253 0.189 1
1 136 . 5 1 1 A 17 17 TRP CB C 17 28.530 29.757 -1.227 1
1 151 . 5 1 1 A 17 17 TRP C C 17 178.678 178.277 0.401 1
1 152 . 5 1 1 A 18 18 CYS N N 18 117.202 116.879 0.323 1
1 153 . 5 1 1 A 18 18 CYS H H 18 8.993 8.203 0.790 1
1 154 . 5 1 1 A 18 18 CYS CA C 18 64.830 63.797 1.033 1
1 155 . 5 1 1 A 18 18 CYS HA H 18 3.855 3.963 -0.108 1
1 156 . 5 1 1 A 18 18 CYS CB C 18 27.945 27.176 0.769 1
1 159 . 5 1 1 A 18 18 CYS C C 18 178.411 177.062 1.349 1
1 160 . 5 1 1 A 19 19 GLN N N 19 120.296 119.686 0.610 1
1 161 . 5 1 1 A 19 19 GLN H H 19 8.696 8.570 0.126 1
1 162 . 5 1 1 A 19 19 GLN CA C 19 59.705 58.851 0.854 1
1 163 . 5 1 1 A 19 19 GLN HA H 19 3.654 4.185 -0.531 1
1 164 . 5 1 1 A 19 19 GLN CB C 19 27.820 28.229 -0.409 1
1 173 . 5 1 1 A 19 19 GLN C C 19 177.957 178.928 -0.971 1
1 174 . 5 1 1 A 20 20 GLN N N 20 119.247 120.065 -0.818 1
1 175 . 5 1 1 A 20 20 GLN H H 20 8.306 7.790 0.516 1
1 176 . 5 1 1 A 20 20 GLN CA C 20 58.838 58.903 -0.065 1
1 177 . 5 1 1 A 20 20 GLN HA H 20 4.016 4.030 -0.014 1
1 178 . 5 1 1 A 20 20 GLN CB C 20 28.000 28.603 -0.603 1
1 187 . 5 1 1 A 20 20 GLN C C 20 179.476 178.863 0.613 1
1 188 . 5 1 1 A 21 21 GLN N N 21 113.337 118.410 -5.073 1
1 189 . 5 1 1 A 21 21 GLN H H 21 7.999 7.670 0.329 1
1 190 . 5 1 1 A 21 21 GLN CA C 21 55.909 58.770 -2.861 1
1 191 . 5 1 1 A 21 21 GLN HA H 21 4.043 3.797 0.246 1
1 192 . 5 1 1 A 21 21 GLN CB C 21 27.676 27.908 -0.232 1
1 201 . 5 1 1 A 21 21 GLN C C 21 177.394 178.554 -1.160 1
1 202 . 5 1 1 A 22 22 THR N N 22 103.485 110.986 -7.501 1
1 203 . 5 1 1 A 22 22 THR H H 22 7.119 7.854 -0.735 1
1 204 . 5 1 1 A 22 22 THR CA C 22 61.272 64.787 -3.515 1
1 205 . 5 1 1 A 22 22 THR HA H 22 4.092 4.116 -0.024 1
1 206 . 5 1 1 A 22 22 THR CB C 22 69.448 68.682 0.766 1
1 212 . 5 1 1 A 22 22 THR C C 22 174.644 174.771 -0.127 1
1 213 . 5 1 1 A 23 23 GLU N N 23 125.366 122.201 3.165 1
1 214 . 5 1 1 A 23 23 GLU H H 23 6.949 7.818 -0.869 1
1 215 . 5 1 1 A 23 23 GLU CA C 23 58.389 58.540 -0.151 1
1 216 . 5 1 1 A 23 23 GLU HA H 23 3.999 3.906 0.093 1
1 217 . 5 1 1 A 23 23 GLU CB C 23 29.683 29.517 0.166 1
1 223 . 5 1 1 A 23 23 GLU C C 23 177.061 177.300 -0.239 1
1 224 . 5 1 1 A 24 24 GLY N N 24 112.717 115.217 -2.500 1
1 225 . 5 1 1 A 24 24 GLY H H 24 8.732 8.881 -0.149 1
1 226 . 5 1 1 A 24 24 GLY CA C 24 45.326 45.022 0.304 1
1 227 . 5 1 1 A 24 24 GLY HA2 H 24 3.988 3.869 0.119 1
1 228 . 5 1 1 A 24 24 GLY HA3 H 24 3.538 3.908 -0.370 1
1 229 . 5 1 1 A 24 24 GLY C C 24 174.531 174.392 0.139 1
1 230 . 5 1 1 A 25 25 TYR N N 25 120.189 119.695 0.494 1
1 231 . 5 1 1 A 25 25 TYR H H 25 7.488 7.487 0.001 1
1 232 . 5 1 1 A 25 25 TYR CA C 25 59.028 57.887 1.141 1
1 233 . 5 1 1 A 25 25 TYR HA H 25 3.947 4.355 -0.408 1
1 234 . 5 1 1 A 25 25 TYR CB C 25 37.202 38.792 -1.590 1
1 245 . 5 1 1 A 25 25 TYR C C 25 176.354 175.199 1.155 1
1 246 . 5 1 1 A 26 26 GLN N N 26 125.301 119.586 5.715 1
1 247 . 5 1 1 A 26 26 GLN H H 26 8.877 8.460 0.417 1
1 248 . 5 1 1 A 26 26 GLN CA C 26 56.923 54.605 2.318 1
1 249 . 5 1 1 A 26 26 GLN HA H 26 3.866 4.724 -0.858 1
1 250 . 5 1 1 A 26 26 GLN CB C 26 28.808 30.594 -1.786 1
1 259 . 5 1 1 A 26 26 GLN C C 26 175.582 175.371 0.211 1
1 260 . 5 1 1 A 27 27 HIS N N 27 111.738 115.175 -3.437 1
1 261 . 5 1 1 A 27 27 HIS H H 27 8.581 8.429 0.152 1
1 262 . 5 1 1 A 27 27 HIS CA C 27 56.937 56.910 0.027 1
1 263 . 5 1 1 A 27 27 HIS HA H 27 4.174 4.001 0.173 1
1 264 . 5 1 1 A 27 27 HIS CB C 27 26.839 26.867 -0.028 1
1 271 . 5 1 1 A 27 27 HIS C C 27 172.979 174.143 -1.164 1
1 272 . 5 1 1 A 28 28 VAL N N 28 118.229 118.820 -0.591 1
1 273 . 5 1 1 A 28 28 VAL H H 28 7.377 7.561 -0.184 1
1 274 . 5 1 1 A 28 28 VAL CA C 28 61.927 61.452 0.475 1
1 275 . 5 1 1 A 28 28 VAL HA H 28 3.922 4.254 -0.332 1
1 276 . 5 1 1 A 28 28 VAL CB C 28 33.373 33.066 0.307 1
1 286 . 5 1 1 A 28 28 VAL C C 28 174.687 173.370 1.317 1
1 287 . 5 1 1 A 29 29 ASN N N 29 125.832 127.406 -1.574 1
1 288 . 5 1 1 A 29 29 ASN H H 29 8.604 9.037 -0.433 1
1 289 . 5 1 1 A 29 29 ASN CA C 29 52.651 51.789 0.862 1
1 290 . 5 1 1 A 29 29 ASN HA H 29 4.682 5.310 -0.628 1
1 291 . 5 1 1 A 29 29 ASN CB C 29 39.124 39.919 -0.795 1
1 297 . 5 1 1 A 29 29 ASN C C 29 173.380 173.890 -0.510 1
1 298 . 5 1 1 A 30 30 VAL N N 30 125.146 127.206 -2.060 1
1 299 . 5 1 1 A 30 30 VAL H H 30 9.203 8.982 0.221 1
1 300 . 5 1 1 A 30 30 VAL CA C 30 63.838 62.467 1.371 1
1 301 . 5 1 1 A 30 30 VAL HA H 30 3.699 4.396 -0.697 1
1 302 . 5 1 1 A 30 30 VAL CB C 30 31.136 31.096 0.040 1
1 312 . 5 1 1 A 30 30 VAL C C 30 176.046 176.401 -0.355 1
1 313 . 5 1 1 A 31 31 THR N N 31 118.952 117.926 1.026 1
1 314 . 5 1 1 A 31 31 THR H H 31 8.396 8.624 -0.228 1
1 315 . 5 1 1 A 31 31 THR CA C 31 60.985 61.959 -0.974 1
1 316 . 5 1 1 A 31 31 THR HA H 31 4.316 4.634 -0.318 1
1 317 . 5 1 1 A 31 31 THR CB C 31 70.087 70.124 -0.037 1
1 323 . 5 1 1 A 31 31 THR C C 31 173.296 174.088 -0.792 1
1 324 . 5 1 1 A 32 32 ASP N N 32 120.757 120.817 -0.060 1
1 325 . 5 1 1 A 32 32 ASP H H 32 8.078 8.085 -0.007 1
1 326 . 5 1 1 A 32 32 ASP CA C 32 53.069 52.911 0.158 1
1 327 . 5 1 1 A 32 32 ASP HA H 32 4.536 5.091 -0.555 1
1 328 . 5 1 1 A 32 32 ASP CB C 32 41.527 44.373 -2.846 1
1 331 . 5 1 1 A 32 32 ASP C C 32 174.931 175.008 -0.077 1
1 332 . 5 1 1 A 33 33 LEU N N 33 117.024 122.210 -5.186 1
1 333 . 5 1 1 A 33 33 LEU H H 33 8.733 8.569 0.164 1
1 334 . 5 1 1 A 33 33 LEU CA C 33 54.453 54.370 0.083 1
1 335 . 5 1 1 A 33 33 LEU HA H 33 4.834 4.830 0.004 1
1 336 . 5 1 1 A 33 33 LEU CB C 33 41.867 42.078 -0.211 1
1 349 . 5 1 1 A 33 33 LEU C C 33 174.039 177.159 -3.120 1
1 350 . 5 1 1 A 34 34 THR N N 34 103.873 111.579 -7.706 1
1 351 . 5 1 1 A 34 34 THR H H 34 7.900 7.946 -0.046 1
1 352 . 5 1 1 A 34 34 THR CA C 34 60.434 62.202 -1.768 1
1 353 . 5 1 1 A 34 34 THR HA H 34 4.519 4.700 -0.181 1
1 354 . 5 1 1 A 34 34 THR CB C 34 70.237 70.637 -0.400 1
1 360 . 5 1 1 A 34 34 THR C C 34 175.954 175.984 -0.030 1
1 361 . 5 1 1 A 35 35 THR N N 35 118.103 114.180 3.923 1
1 362 . 5 1 1 A 35 35 THR H H 35 9.363 8.114 1.249 1
1 363 . 5 1 1 A 35 35 THR CA C 35 66.422 63.402 3.020 1
1 364 . 5 1 1 A 35 35 THR HA H 35 3.981 4.467 -0.486 1
1 365 . 5 1 1 A 35 35 THR CB C 35 68.720 69.551 -0.831 1
1 371 . 5 1 1 A 35 35 THR C C 35 177.778 176.521 1.257 1
1 372 . 5 1 1 A 36 36 SER N N 36 120.417 116.864 3.553 1
1 373 . 5 1 1 A 36 36 SER H H 36 10.544 8.398 2.146 1
1 374 . 5 1 1 A 36 36 SER CA C 36 61.076 61.966 -0.890 1
1 375 . 5 1 1 A 36 36 SER HA H 36 4.395 4.277 0.118 1
1 376 . 5 1 1 A 36 36 SER CB C 36 63.485 62.944 0.541 1
1 379 . 5 1 1 A 36 36 SER C C 36 173.956 175.397 -1.441 1
1 380 . 5 1 1 A 37 37 TRP N N 37 121.387 119.769 1.618 1
1 381 . 5 1 1 A 37 37 TRP H H 37 8.126 8.106 0.020 1
1 382 . 5 1 1 A 37 37 TRP CA C 37 57.689 56.285 1.404 1
1 383 . 5 1 1 A 37 37 TRP HA H 37 4.340 5.120 -0.780 1
1 384 . 5 1 1 A 37 37 TRP CB C 37 28.915 29.232 -0.317 1
1 399 . 5 1 1 A 37 37 TRP C C 37 176.751 176.760 -0.009 1
1 400 . 5 1 1 A 38 38 ARG N N 38 121.787 119.705 2.082 1
1 401 . 5 1 1 A 38 38 ARG H H 38 7.473 8.523 -1.050 1
1 402 . 5 1 1 A 38 38 ARG CA C 38 60.250 58.812 1.438 1
1 403 . 5 1 1 A 38 38 ARG HA H 38 4.065 4.205 -0.140 1
1 404 . 5 1 1 A 38 38 ARG CB C 38 30.807 30.169 0.638 1
1 415 . 5 1 1 A 38 38 ARG C C 38 177.636 178.443 -0.807 1
1 416 . 5 1 1 A 39 39 SER N N 39 110.340 114.117 -3.777 1
1 417 . 5 1 1 A 39 39 SER H H 39 8.665 7.693 0.972 1
1 418 . 5 1 1 A 39 39 SER CA C 39 59.336 59.052 0.284 1
1 419 . 5 1 1 A 39 39 SER HA H 39 4.349 4.491 -0.142 1
1 420 . 5 1 1 A 39 39 SER CB C 39 64.907 63.995 0.912 1
1 423 . 5 1 1 A 39 39 SER C C 39 174.768 174.660 0.108 1
1 424 . 5 1 1 A 40 40 GLY N N 40 109.467 108.707 0.760 1
1 425 . 5 1 1 A 40 40 GLY H H 40 7.549 7.807 -0.258 1
1 426 . 5 1 1 A 40 40 GLY CA C 40 46.347 45.294 1.053 1
1 427 . 5 1 1 A 40 40 GLY HA2 H 40 3.875 3.881 -0.006 1
1 428 . 5 1 1 A 40 40 GLY HA3 H 40 3.915 3.925 -0.010 1
1 429 . 5 1 1 A 40 40 GLY C C 40 173.725 175.964 -2.239 1
1 430 . 5 1 1 A 41 41 LEU N N 41 117.562 121.730 -4.168 1
1 431 . 5 1 1 A 41 41 LEU H H 41 7.287 8.165 -0.878 1
1 432 . 5 1 1 A 41 41 LEU CA C 41 57.482 57.853 -0.371 1
1 433 . 5 1 1 A 41 41 LEU HA H 41 3.882 3.877 0.005 1
1 434 . 5 1 1 A 41 41 LEU CB C 41 42.615 41.549 1.066 1
1 447 . 5 1 1 A 41 41 LEU C C 41 178.159 178.711 -0.552 1
1 448 . 5 1 1 A 42 42 ALA N N 42 121.758 120.831 0.927 1
1 449 . 5 1 1 A 42 42 ALA H H 42 8.506 8.108 0.398 1
1 450 . 5 1 1 A 42 42 ALA CA C 42 55.694 55.026 0.668 1
1 451 . 5 1 1 A 42 42 ALA HA H 42 3.582 3.648 -0.066 1
1 452 . 5 1 1 A 42 42 ALA CB C 42 17.039 17.761 -0.722 1
1 456 . 5 1 1 A 42 42 ALA C C 42 178.076 179.360 -1.284 1
1 457 . 5 1 1 A 43 43 LEU N N 43 118.332 119.249 -0.917 1
1 458 . 5 1 1 A 43 43 LEU H H 43 8.933 7.613 1.320 1
1 459 . 5 1 1 A 43 43 LEU CA C 43 57.425 58.064 -0.639 1
1 460 . 5 1 1 A 43 43 LEU HA H 43 4.308 4.181 0.127 1
1 461 . 5 1 1 A 43 43 LEU CB C 43 42.068 41.914 0.154 1
1 474 . 5 1 1 A 43 43 LEU C C 43 179.198 178.470 0.728 1
1 475 . 5 1 1 A 44 44 CYS N N 44 115.098 116.856 -1.758 1
1 476 . 5 1 1 A 44 44 CYS H H 44 7.607 8.257 -0.650 1
1 477 . 5 1 1 A 44 44 CYS CA C 44 65.664 62.655 3.009 1
1 478 . 5 1 1 A 44 44 CYS HA H 44 4.035 4.100 -0.065 1
1 479 . 5 1 1 A 44 44 CYS CB C 44 27.516 26.922 0.594 1
1 482 . 5 1 1 A 44 44 CYS C C 44 176.222 177.300 -1.078 1
1 483 . 5 1 1 A 45 45 ALA N N 45 121.778 121.764 0.014 1
1 484 . 5 1 1 A 45 45 ALA H H 45 8.435 7.893 0.542 1
1 485 . 5 1 1 A 45 45 ALA CA C 45 55.306 54.649 0.657 1
1 486 . 5 1 1 A 45 45 ALA HA H 45 3.184 3.532 -0.348 1
1 487 . 5 1 1 A 45 45 ALA CB C 45 17.395 17.589 -0.194 1
1 491 . 5 1 1 A 45 45 ALA C C 45 177.510 179.711 -2.201 1
1 492 . 5 1 1 A 46 46 ILE N N 46 116.463 117.859 -1.396 1
1 493 . 5 1 1 A 46 46 ILE H H 46 7.527 7.914 -0.387 1
1 494 . 5 1 1 A 46 46 ILE CA C 46 65.137 65.043 0.094 1
1 495 . 5 1 1 A 46 46 ILE HA H 46 3.267 3.558 -0.291 1
1 496 . 5 1 1 A 46 46 ILE CB C 46 37.084 38.045 -0.961 1
1 509 . 5 1 1 A 46 46 ILE C C 46 176.744 178.604 -1.860 1
1 510 . 5 1 1 A 47 47 ILE N N 47 115.676 120.189 -4.513 1
1 511 . 5 1 1 A 47 47 ILE H H 47 7.786 7.889 -0.103 1
1 512 . 5 1 1 A 47 47 ILE CA C 47 66.948 65.114 1.834 1
1 513 . 5 1 1 A 47 47 ILE HA H 47 3.754 3.821 -0.067 1
1 514 . 5 1 1 A 47 47 ILE CB C 47 38.335 38.101 0.234 1
1 527 . 5 1 1 A 47 47 ILE C C 47 176.853 178.173 -1.320 1
1 528 . 5 1 1 A 48 48 HIS N N 48 120.066 119.852 0.214 1
1 529 . 5 1 1 A 48 48 HIS H H 48 8.569 8.772 -0.203 1
1 530 . 5 1 1 A 48 48 HIS CA C 48 60.767 60.104 0.663 1
1 531 . 5 1 1 A 48 48 HIS HA H 48 3.918 4.318 -0.400 1
1 532 . 5 1 1 A 48 48 HIS CB C 48 31.245 30.095 1.150 1
1 539 . 5 1 1 A 48 48 HIS C C 48 175.841 176.883 -1.042 1
1 540 . 5 1 1 A 49 49 ARG N N 49 118.781 117.993 0.788 1
1 541 . 5 1 1 A 49 49 ARG H H 49 8.572 8.572 0.000 1
1 542 . 5 1 1 A 49 49 ARG CA C 49 58.152 59.273 -1.121 1
1 543 . 5 1 1 A 49 49 ARG HA H 49 3.680 4.119 -0.439 1
1 544 . 5 1 1 A 49 49 ARG CB C 49 28.454 30.020 -1.566 1
1 555 . 5 1 1 A 49 49 ARG C C 49 177.830 179.246 -1.416 1
1 556 . 5 1 1 A 50 50 PHE N N 50 113.909 118.042 -4.133 1
1 557 . 5 1 1 A 50 50 PHE H H 50 6.900 7.902 -1.002 1
1 558 . 5 1 1 A 50 50 PHE CA C 50 59.885 60.396 -0.511 1
1 559 . 5 1 1 A 50 50 PHE HA H 50 4.281 4.373 -0.092 1
1 560 . 5 1 1 A 50 50 PHE CB C 50 41.527 39.167 2.360 1
1 573 . 5 1 1 A 50 50 PHE C C 50 176.867 176.057 0.810 1
1 574 . 5 1 1 A 51 51 ARG N N 51 120.652 119.243 1.409 1
1 575 . 5 1 1 A 51 51 ARG H H 51 9.059 8.266 0.793 1
1 576 . 5 1 1 A 51 51 ARG CA C 51 51.499 53.812 -2.313 1
1 577 . 5 1 1 A 51 51 ARG HA H 51 4.942 4.802 0.140 1
1 578 . 5 1 1 A 51 51 ARG CB C 51 30.307 30.727 -0.420 1
1 589 . 5 1 1 A 51 51 ARG C C 51 172.670 174.573 -1.903 1
1 590 . 5 1 1 A 52 52 PRO CA C 52 64.948 63.958 0.990 1
1 591 . 5 1 1 A 52 52 PRO HA H 52 4.343 3.815 0.528 1
1 592 . 5 1 1 A 52 52 PRO CB C 52 31.091 31.322 -0.231 1
1 601 . 5 1 1 A 52 52 PRO C C 52 177.406 177.661 -0.255 1
1 602 . 5 1 1 A 53 53 GLU N N 53 118.219 116.029 2.190 1
1 603 . 5 1 1 A 53 53 GLU H H 53 9.784 8.898 0.886 1
1 604 . 5 1 1 A 53 53 GLU CA C 53 57.285 58.856 -1.571 1
1 605 . 5 1 1 A 53 53 GLU HA H 53 4.322 4.095 0.227 1
1 606 . 5 1 1 A 53 53 GLU CB C 53 27.771 28.756 -0.985 1
1 612 . 5 1 1 A 53 53 GLU C C 53 177.957 178.977 -1.020 1
1 613 . 5 1 1 A 54 54 LEU N N 54 119.316 118.761 0.555 1
1 614 . 5 1 1 A 54 54 LEU H H 54 8.212 7.201 1.011 1
1 615 . 5 1 1 A 54 54 LEU CA C 54 55.943 56.853 -0.910 1
1 616 . 5 1 1 A 54 54 LEU HA H 54 4.337 4.201 0.136 1
1 617 . 5 1 1 A 54 54 LEU CB C 54 43.122 42.914 0.208 1
1 630 . 5 1 1 A 54 54 LEU C C 54 177.159 176.999 0.160 1
1 631 . 5 1 1 A 55 55 ILE N N 55 115.493 117.760 -2.267 1
1 632 . 5 1 1 A 55 55 ILE H H 55 6.990 7.847 -0.857 1
1 633 . 5 1 1 A 55 55 ILE CA C 55 59.645 59.633 0.012 1
1 634 . 5 1 1 A 55 55 ILE HA H 55 4.230 4.728 -0.498 1
1 635 . 5 1 1 A 55 55 ILE CB C 55 43.159 41.452 1.707 1
1 648 . 5 1 1 A 55 55 ILE C C 55 173.302 174.551 -1.249 1
1 649 . 5 1 1 A 56 56 ASN N N 56 124.568 124.623 -0.055 1
1 650 . 5 1 1 A 56 56 ASN H H 56 8.984 8.816 0.168 1
1 651 . 5 1 1 A 56 56 ASN CA C 56 51.198 51.558 -0.360 1
1 652 . 5 1 1 A 56 56 ASN HA H 56 5.100 5.271 -0.171 1
1 653 . 5 1 1 A 56 56 ASN CB C 56 36.452 39.310 -2.858 1
1 659 . 5 1 1 A 56 56 ASN C C 56 175.902 175.569 0.333 1
1 660 . 5 1 1 A 57 57 PHE N N 57 126.548 126.559 -0.011 1
1 661 . 5 1 1 A 57 57 PHE H H 57 7.219 9.096 -1.877 1
1 662 . 5 1 1 A 57 57 PHE CA C 57 62.399 62.209 0.190 1
1 663 . 5 1 1 A 57 57 PHE HA H 57 3.514 3.961 -0.447 1
1 664 . 5 1 1 A 57 57 PHE CB C 57 39.553 39.602 -0.049 1
1 677 . 5 1 1 A 57 57 PHE C C 57 176.597 176.743 -0.146 1
1 678 . 5 1 1 A 58 58 ASP N N 58 116.755 118.847 -2.092 1
1 679 . 5 1 1 A 58 58 ASP H H 58 8.691 8.365 0.326 1
1 680 . 5 1 1 A 58 58 ASP CA C 58 56.635 57.367 -0.732 1
1 681 . 5 1 1 A 58 58 ASP HA H 58 4.324 4.324 0.000 1
1 682 . 5 1 1 A 58 58 ASP CB C 58 40.262 40.616 -0.354 1
1 685 . 5 1 1 A 58 58 ASP C C 58 176.562 178.631 -2.069 1
1 686 . 5 1 1 A 59 59 SER N N 59 112.320 112.814 -0.494 1
1 687 . 5 1 1 A 59 59 SER H H 59 7.412 7.688 -0.276 1
1 688 . 5 1 1 A 59 59 SER CA C 59 58.740 61.172 -2.432 1
1 689 . 5 1 1 A 59 59 SER HA H 59 4.365 4.309 0.056 1
1 690 . 5 1 1 A 59 59 SER CB C 59 64.598 63.000 1.598 1
1 693 . 5 1 1 A 59 59 SER C C 59 174.309 174.838 -0.529 1
1 694 . 5 1 1 A 60 60 LEU N N 60 121.693 123.202 -1.509 1
1 695 . 5 1 1 A 60 60 LEU H H 60 7.176 7.452 -0.276 1
1 696 . 5 1 1 A 60 60 LEU CA C 60 54.593 55.656 -1.063 1
1 697 . 5 1 1 A 60 60 LEU HA H 60 4.196 4.057 0.139 1
1 698 . 5 1 1 A 60 60 LEU CB C 60 40.943 41.730 -0.787 1
1 711 . 5 1 1 A 60 60 LEU C C 60 176.774 175.864 0.910 1
1 712 . 5 1 1 A 61 61 ASN N N 61 121.648 124.681 -3.033 1
1 713 . 5 1 1 A 61 61 ASN H H 61 9.391 8.432 0.959 1
1 714 . 5 1 1 A 61 61 ASN CA C 61 51.763 51.781 -0.018 1
1 715 . 5 1 1 A 61 61 ASN HA H 61 4.721 4.921 -0.200 1
1 716 . 5 1 1 A 61 61 ASN CB C 61 40.025 40.226 -0.201 1
1 722 . 5 1 1 A 61 61 ASN C C 61 176.599 176.069 0.530 1
1 723 . 5 1 1 A 62 62 GLU N N 62 126.707 125.343 1.364 1
1 724 . 5 1 1 A 62 62 GLU H H 62 9.255 8.638 0.617 1
1 725 . 5 1 1 A 62 62 GLU CA C 62 58.926 59.349 -0.423 1
1 726 . 5 1 1 A 62 62 GLU HA H 62 3.688 3.932 -0.244 1
1 727 . 5 1 1 A 62 62 GLU CB C 62 29.479 28.932 0.547 1
1 733 . 5 1 1 A 62 62 GLU C C 62 176.196 177.916 -1.720 1
1 734 . 5 1 1 A 63 63 ASP N N 63 116.763 120.400 -3.637 1
1 735 . 5 1 1 A 63 63 ASP H H 63 8.317 8.557 -0.240 1
1 736 . 5 1 1 A 63 63 ASP CA C 63 55.499 57.787 -2.288 1
1 737 . 5 1 1 A 63 63 ASP HA H 63 4.509 4.339 0.170 1
1 738 . 5 1 1 A 63 63 ASP CB C 63 40.697 41.380 -0.683 1
1 741 . 5 1 1 A 63 63 ASP C C 63 177.195 177.035 0.160 1
1 742 . 5 1 1 A 64 64 ASP N N 64 123.036 117.427 5.609 1
1 743 . 5 1 1 A 64 64 ASP H H 64 7.422 8.309 -0.887 1
1 744 . 5 1 1 A 64 64 ASP CA C 64 52.760 53.110 -0.350 1
1 745 . 5 1 1 A 64 64 ASP HA H 64 4.949 4.895 0.054 1
1 746 . 5 1 1 A 64 64 ASP CB C 64 38.920 38.647 0.273 1
1 749 . 5 1 1 A 64 64 ASP C C 64 174.979 176.014 -1.035 1
1 750 . 5 1 1 A 65 65 ALA N N 65 123.411 124.059 -0.648 1
1 751 . 5 1 1 A 65 65 ALA H H 65 7.527 8.068 -0.541 1
1 752 . 5 1 1 A 65 65 ALA CA C 65 55.750 55.111 0.639 1
1 753 . 5 1 1 A 65 65 ALA HA H 65 4.295 4.008 0.287 1
1 754 . 5 1 1 A 65 65 ALA CB C 65 19.889 18.460 1.429 1
1 758 . 5 1 1 A 65 65 ALA C C 65 181.114 179.747 1.367 1
1 759 . 5 1 1 A 66 66 VAL N N 66 119.151 118.287 0.864 1
1 760 . 5 1 1 A 66 66 VAL H H 66 8.305 8.168 0.137 1
1 761 . 5 1 1 A 66 66 VAL CA C 66 67.423 67.141 0.282 1
1 762 . 5 1 1 A 66 66 VAL HA H 66 3.292 3.631 -0.339 1
1 763 . 5 1 1 A 66 66 VAL CB C 66 31.418 31.618 -0.200 1
1 773 . 5 1 1 A 66 66 VAL C C 66 177.471 177.825 -0.354 1
1 774 . 5 1 1 A 67 67 GLU N N 67 117.895 118.823 -0.928 1
1 775 . 5 1 1 A 67 67 GLU H H 67 8.256 8.259 -0.003 1
1 776 . 5 1 1 A 67 67 GLU CA C 67 59.831 59.933 -0.102 1
1 777 . 5 1 1 A 67 67 GLU HA H 67 3.901 3.951 -0.050 1
1 778 . 5 1 1 A 67 67 GLU CB C 67 28.963 29.523 -0.560 1
1 784 . 5 1 1 A 67 67 GLU C C 67 179.796 179.279 0.517 1
1 785 . 5 1 1 A 68 68 ASN N N 68 119.611 117.936 1.675 1
1 786 . 5 1 1 A 68 68 ASN H H 68 9.019 8.219 0.800 1
1 787 . 5 1 1 A 68 68 ASN CA C 68 55.797 56.531 -0.734 1
1 788 . 5 1 1 A 68 68 ASN HA H 68 4.325 4.352 -0.027 1
1 789 . 5 1 1 A 68 68 ASN CB C 68 37.140 37.817 -0.677 1
1 795 . 5 1 1 A 68 68 ASN C C 68 177.193 178.212 -1.019 1
1 796 . 5 1 1 A 69 69 ASN N N 69 115.555 117.863 -2.308 1
1 797 . 5 1 1 A 69 69 ASN H H 69 7.589 8.182 -0.593 1
1 798 . 5 1 1 A 69 69 ASN CA C 69 57.155 56.258 0.897 1
1 799 . 5 1 1 A 69 69 ASN HA H 69 3.880 4.213 -0.333 1
1 800 . 5 1 1 A 69 69 ASN CB C 69 40.785 38.335 2.450 1
1 806 . 5 1 1 A 69 69 ASN C C 69 175.062 177.920 -2.858 1
1 807 . 5 1 1 A 70 70 GLN N N 70 115.794 118.139 -2.345 1
1 808 . 5 1 1 A 70 70 GLN H H 70 8.058 8.122 -0.064 1
1 809 . 5 1 1 A 70 70 GLN CA C 70 58.400 59.201 -0.801 1
1 810 . 5 1 1 A 70 70 GLN HA H 70 3.591 4.250 -0.659 1
1 811 . 5 1 1 A 70 70 GLN CB C 70 29.420 28.458 0.962 1
1 820 . 5 1 1 A 70 70 GLN C C 70 176.954 178.508 -1.554 1
1 821 . 5 1 1 A 71 71 LEU N N 71 118.631 122.161 -3.530 1
1 822 . 5 1 1 A 71 71 LEU H H 71 8.090 8.236 -0.146 1
1 823 . 5 1 1 A 71 71 LEU CA C 71 58.121 58.437 -0.316 1
1 824 . 5 1 1 A 71 71 LEU HA H 71 4.291 4.019 0.272 1
1 825 . 5 1 1 A 71 71 LEU CB C 71 42.100 41.997 0.103 1
1 838 . 5 1 1 A 71 71 LEU C C 71 177.664 178.152 -0.488 1
1 839 . 5 1 1 A 72 72 ALA N N 72 119.977 120.149 -0.172 1
1 840 . 5 1 1 A 72 72 ALA H H 72 7.274 7.965 -0.691 1
1 841 . 5 1 1 A 72 72 ALA CA C 72 55.807 55.110 0.697 1
1 842 . 5 1 1 A 72 72 ALA HA H 72 3.873 4.095 -0.222 1
1 843 . 5 1 1 A 72 72 ALA CB C 72 18.412 18.464 -0.052 1
1 847 . 5 1 1 A 72 72 ALA C C 72 179.676 180.066 -0.390 1
1 848 . 5 1 1 A 73 73 PHE N N 73 115.018 116.160 -1.142 1
1 849 . 5 1 1 A 73 73 PHE H H 73 8.722 7.883 0.839 1
1 850 . 5 1 1 A 73 73 PHE CA C 73 56.889 61.908 -5.019 1
1 851 . 5 1 1 A 73 73 PHE HA H 73 4.848 4.571 0.277 1
1 852 . 5 1 1 A 73 73 PHE CB C 73 37.404 38.956 -1.552 1
1 865 . 5 1 1 A 73 73 PHE C C 73 180.123 178.210 1.913 1
1 866 . 5 1 1 A 74 74 ASP N N 74 122.136 119.368 2.768 1
1 867 . 5 1 1 A 74 74 ASP H H 74 9.262 8.632 0.630 1
1 868 . 5 1 1 A 74 74 ASP CA C 74 57.648 57.722 -0.074 1
1 869 . 5 1 1 A 74 74 ASP HA H 74 4.550 4.381 0.169 1
1 870 . 5 1 1 A 74 74 ASP CB C 74 40.073 41.791 -1.718 1
1 873 . 5 1 1 A 74 74 ASP C C 74 179.818 178.985 0.833 1
1 874 . 5 1 1 A 75 75 VAL N N 75 122.521 119.522 2.999 1
1 875 . 5 1 1 A 75 75 VAL H H 75 9.080 8.557 0.523 1
1 876 . 5 1 1 A 75 75 VAL CA C 75 66.894 66.489 0.405 1
1 877 . 5 1 1 A 75 75 VAL HA H 75 3.611 3.547 0.064 1
1 878 . 5 1 1 A 75 75 VAL CB C 75 31.943 31.607 0.336 1
1 888 . 5 1 1 A 75 75 VAL C C 75 177.813 178.088 -0.275 1
1 889 . 5 1 1 A 76 76 ALA N N 76 121.109 122.384 -1.275 1
1 890 . 5 1 1 A 76 76 ALA H H 76 8.813 8.598 0.215 1
1 891 . 5 1 1 A 76 76 ALA CA C 76 55.181 55.335 -0.154 1
1 892 . 5 1 1 A 76 76 ALA HA H 76 4.092 4.207 -0.115 1
1 893 . 5 1 1 A 76 76 ALA CB C 76 19.324 18.616 0.708 1
1 897 . 5 1 1 A 76 76 ALA C C 76 180.373 180.408 -0.035 1
1 898 . 5 1 1 A 77 77 GLU N N 77 120.309 118.765 1.544 1
1 899 . 5 1 1 A 77 77 GLU H H 77 8.257 8.240 0.017 1
1 900 . 5 1 1 A 77 77 GLU CA C 77 59.818 58.695 1.123 1
1 901 . 5 1 1 A 77 77 GLU HA H 77 3.982 4.227 -0.245 1
1 902 . 5 1 1 A 77 77 GLU CB C 77 30.530 29.771 0.759 1
1 908 . 5 1 1 A 77 77 GLU C C 77 178.591 178.441 0.150 1
1 909 . 5 1 1 A 78 78 ARG N N 78 119.060 119.644 -0.584 1
1 910 . 5 1 1 A 78 78 ARG H H 78 8.325 7.951 0.374 1
1 911 . 5 1 1 A 78 78 ARG CA C 78 59.232 58.038 1.194 1
1 912 . 5 1 1 A 78 78 ARG HA H 78 4.048 4.249 -0.201 1
1 913 . 5 1 1 A 78 78 ARG CB C 78 31.462 30.486 0.976 1
1 924 . 5 1 1 A 78 78 ARG C C 78 178.327 177.794 0.533 1
1 925 . 5 1 1 A 79 79 GLU N N 79 114.012 117.375 -3.363 1
1 926 . 5 1 1 A 79 79 GLU H H 79 8.878 8.202 0.676 1
1 927 . 5 1 1 A 79 79 GLU CA C 79 56.599 57.758 -1.159 1
1 928 . 5 1 1 A 79 79 GLU HA H 79 4.329 4.355 -0.026 1
1 929 . 5 1 1 A 79 79 GLU CB C 79 28.771 30.641 -1.870 1
1 935 . 5 1 1 A 79 79 GLU C C 79 178.301 178.040 0.261 1
1 936 . 5 1 1 A 80 80 PHE N N 80 113.394 116.895 -3.501 1
1 937 . 5 1 1 A 80 80 PHE H H 80 6.906 7.305 -0.399 1
1 938 . 5 1 1 A 80 80 PHE CA C 80 53.518 57.952 -4.434 1
1 939 . 5 1 1 A 80 80 PHE HA H 80 5.246 4.568 0.678 1
1 940 . 5 1 1 A 80 80 PHE CB C 80 39.910 39.364 0.546 1
1 953 . 5 1 1 A 80 80 PHE C C 80 176.487 175.967 0.520 1
1 954 . 5 1 1 A 81 81 GLY N N 81 108.698 109.064 -0.366 1
1 955 . 5 1 1 A 81 81 GLY H H 81 7.352 8.148 -0.796 1
1 956 . 5 1 1 A 81 81 GLY CA C 81 46.520 46.627 -0.107 1
1 957 . 5 1 1 A 81 81 GLY HA2 H 81 3.975 4.014 -0.039 1
1 958 . 5 1 1 A 81 81 GLY HA3 H 81 3.975 4.022 -0.047 1
1 959 . 5 1 1 A 81 81 GLY C C 81 174.711 174.643 0.068 1
1 960 . 5 1 1 A 82 82 ILE N N 82 122.486 122.149 0.337 1
1 961 . 5 1 1 A 82 82 ILE H H 82 7.507 7.951 -0.444 1
1 962 . 5 1 1 A 82 82 ILE CA C 82 58.810 57.961 0.849 1
1 963 . 5 1 1 A 82 82 ILE HA H 82 4.285 4.357 -0.072 1
1 964 . 5 1 1 A 82 82 ILE CB C 82 39.376 39.079 0.297 1
1 977 . 5 1 1 A 82 82 ILE C C 82 172.836 175.010 -2.174 1
1 978 . 5 1 1 A 83 83 PRO CA C 83 60.989 62.031 -1.042 1
1 979 . 5 1 1 A 83 83 PRO HA H 83 4.589 4.712 -0.123 1
1 980 . 5 1 1 A 83 83 PRO CB C 83 31.107 32.351 -1.244 1
1 989 . 5 1 1 A 84 84 PRO CA C 84 62.860 62.514 0.346 1
1 990 . 5 1 1 A 84 84 PRO HA H 84 4.405 4.572 -0.167 1
1 991 . 5 1 1 A 84 84 PRO CB C 84 32.638 31.849 0.789 1
1 1000 . 5 1 1 A 84 84 PRO C C 84 177.894 177.435 0.459 1
1 1001 . 5 1 1 A 85 85 VAL N N 85 114.062 116.930 -2.868 1
1 1002 . 5 1 1 A 85 85 VAL H H 85 6.621 8.013 -1.392 1
1 1003 . 5 1 1 A 85 85 VAL CA C 85 61.000 63.419 -2.419 1
1 1004 . 5 1 1 A 85 85 VAL HA H 85 4.080 3.984 0.096 1
1 1005 . 5 1 1 A 85 85 VAL CB C 85 32.725 32.192 0.533 1
1 1015 . 5 1 1 A 85 85 VAL C C 85 174.315 175.673 -1.358 1
1 1016 . 5 1 1 A 86 86 THR N N 86 114.774 114.405 0.369 1
1 1017 . 5 1 1 A 86 86 THR H H 86 6.827 7.215 -0.388 1
1 1018 . 5 1 1 A 86 86 THR CA C 86 59.336 59.688 -0.352 1
1 1019 . 5 1 1 A 86 86 THR HA H 86 4.442 4.706 -0.264 1
1 1020 . 5 1 1 A 86 86 THR CB C 86 68.016 71.665 -3.649 1
1 1026 . 5 1 1 A 86 86 THR C C 86 172.724 172.314 0.410 1
1 1027 . 5 1 1 A 87 87 THR N N 87 109.655 116.310 -6.655 1
1 1028 . 5 1 1 A 87 87 THR H H 87 8.313 8.520 -0.207 1
1 1029 . 5 1 1 A 87 87 THR CA C 87 59.870 60.328 -0.458 1
1 1030 . 5 1 1 A 87 87 THR HA H 87 5.000 4.639 0.361 1
1 1031 . 5 1 1 A 87 87 THR CB C 87 72.527 70.519 2.008 1
1 1037 . 5 1 1 A 87 87 THR C C 87 176.440 175.898 0.542 1
1 1038 . 5 1 1 A 88 88 GLY N N 88 110.531 110.375 0.156 1
1 1039 . 5 1 1 A 88 88 GLY H H 88 9.655 9.026 0.629 1
1 1040 . 5 1 1 A 88 88 GLY CA C 88 49.124 47.650 1.474 1
1 1041 . 5 1 1 A 88 88 GLY HA2 H 88 4.115 3.984 0.131 1
1 1042 . 5 1 1 A 88 88 GLY HA3 H 88 3.755 4.072 -0.317 1
1 1043 . 5 1 1 A 88 88 GLY C C 88 175.154 176.061 -0.907 1
1 1044 . 5 1 1 A 89 89 LYS N N 89 119.606 121.879 -2.273 1
1 1045 . 5 1 1 A 89 89 LYS H H 89 8.542 8.114 0.428 1
1 1046 . 5 1 1 A 89 89 LYS CA C 89 59.687 59.657 0.030 1
1 1047 . 5 1 1 A 89 89 LYS HA H 89 4.030 4.008 0.022 1
1 1048 . 5 1 1 A 89 89 LYS CB C 89 32.733 32.330 0.403 1
1 1060 . 5 1 1 A 89 89 LYS C C 89 178.921 179.538 -0.617 1
1 1061 . 5 1 1 A 90 90 GLU N N 90 118.992 119.432 -0.440 1
1 1062 . 5 1 1 A 90 90 GLU H H 90 7.610 7.807 -0.197 1
1 1063 . 5 1 1 A 90 90 GLU CA C 90 59.238 59.603 -0.365 1
1 1064 . 5 1 1 A 90 90 GLU HA H 90 4.008 4.024 -0.016 1
1 1065 . 5 1 1 A 90 90 GLU CB C 90 29.946 29.321 0.625 1
1 1071 . 5 1 1 A 90 90 GLU C C 90 179.366 178.956 0.410 1
1 1072 . 5 1 1 A 91 91 MET N N 91 120.109 120.105 0.004 1
1 1073 . 5 1 1 A 91 91 MET H H 91 8.468 8.501 -0.033 1
1 1074 . 5 1 1 A 91 91 MET CA C 91 57.606 58.567 -0.961 1
1 1075 . 5 1 1 A 91 91 MET HA H 91 4.355 4.123 0.232 1
1 1076 . 5 1 1 A 91 91 MET CB C 91 32.364 32.451 -0.087 1
1 1086 . 5 1 1 A 91 91 MET C C 91 177.168 178.045 -0.877 1
1 1087 . 5 1 1 A 92 92 ALA N N 92 115.912 121.990 -6.078 1
1 1088 . 5 1 1 A 92 92 ALA H H 92 7.876 8.119 -0.243 1
1 1089 . 5 1 1 A 92 92 ALA CA C 92 53.278 54.847 -1.569 1
1 1090 . 5 1 1 A 92 92 ALA HA H 92 4.316 4.534 -0.218 1
1 1091 . 5 1 1 A 92 92 ALA CB C 92 20.275 18.496 1.779 1
1 1095 . 5 1 1 A 92 92 ALA C C 92 178.672 179.511 -0.839 1
1 1096 . 5 1 1 A 93 93 SER N N 93 111.760 113.391 -1.631 1
1 1097 . 5 1 1 A 93 93 SER H H 93 7.431 8.467 -1.036 1
1 1098 . 5 1 1 A 93 93 SER CA C 93 58.584 62.044 -3.460 1
1 1099 . 5 1 1 A 93 93 SER HA H 93 4.471 4.160 0.311 1
1 1100 . 5 1 1 A 93 93 SER CB C 93 64.582 62.939 1.643 1
1 1103 . 5 1 1 A 93 93 SER C C 93 173.576 175.887 -2.311 1
1 1104 . 5 1 1 A 94 94 ALA N N 94 123.381 121.526 1.855 1
1 1105 . 5 1 1 A 94 94 ALA H H 94 7.903 7.965 -0.062 1
1 1106 . 5 1 1 A 94 94 ALA CA C 94 52.760 53.049 -0.289 1
1 1107 . 5 1 1 A 94 94 ALA HA H 94 4.267 4.161 0.106 1
1 1108 . 5 1 1 A 94 94 ALA CB C 94 18.364 19.237 -0.873 1
1 1112 . 5 1 1 A 94 94 ALA C C 94 177.611 178.499 -0.888 1
1 1113 . 5 1 1 A 95 95 GLN N N 95 120.874 123.564 -2.690 1
1 1114 . 5 1 1 A 95 95 GLN H H 95 8.305 8.785 -0.480 1
1 1115 . 5 1 1 A 95 95 GLN CA C 95 56.821 58.810 -1.989 1
1 1116 . 5 1 1 A 95 95 GLN HA H 95 4.185 4.146 0.039 1
1 1117 . 5 1 1 A 95 95 GLN CB C 95 29.052 28.111 0.941 1
1 1126 . 5 1 1 A 95 95 GLN C C 95 175.975 175.537 0.438 1
1 1127 . 5 1 1 A 96 96 GLU N N 96 120.251 119.672 0.579 1
1 1128 . 5 1 1 A 96 96 GLU H H 96 8.402 7.935 0.467 1
1 1129 . 5 1 1 A 96 96 GLU CA C 96 54.378 53.266 1.112 1
1 1130 . 5 1 1 A 96 96 GLU HA H 96 4.537 4.723 -0.186 1
1 1131 . 5 1 1 A 96 96 GLU CB C 96 30.216 31.125 -0.909 1
1 1137 . 5 1 1 A 96 96 GLU C C 96 173.618 174.009 -0.391 1
1 1138 . 5 1 1 A 97 97 PRO CA C 97 62.763 62.253 0.510 1
1 1139 . 5 1 1 A 97 97 PRO HA H 97 4.362 4.644 -0.282 1
1 1140 . 5 1 1 A 97 97 PRO CB C 97 32.356 33.034 -0.678 1
1 1149 . 5 1 1 A 97 97 PRO C C 97 174.841 175.572 -0.731 1
1 1150 . 5 1 1 A 98 98 ASP N N 98 120.272 120.826 -0.554 1
1 1151 . 5 1 1 A 98 98 ASP H H 98 8.396 8.682 -0.286 1
1 1152 . 5 1 1 A 98 98 ASP CA C 98 54.555 54.053 0.502 1
1 1153 . 5 1 1 A 98 98 ASP HA H 98 4.409 4.637 -0.228 1
1 1154 . 5 1 1 A 98 98 ASP CB C 98 42.248 40.571 1.677 1
1 1157 . 5 1 1 A 98 98 ASP C C 98 176.253 176.180 0.073 1
1 1158 . 5 1 1 A 99 99 LYS N N 99 126.808 125.583 1.225 1
1 1159 . 5 1 1 A 99 99 LYS H H 99 8.454 8.600 -0.146 1
1 1160 . 5 1 1 A 99 99 LYS CA C 99 60.158 59.565 0.593 1
1 1161 . 5 1 1 A 99 99 LYS HA H 99 3.705 3.987 -0.282 1
1 1162 . 5 1 1 A 99 99 LYS CB C 99 32.832 32.187 0.645 1
1 1174 . 5 1 1 A 99 99 LYS C C 99 177.621 178.553 -0.932 1
1 1175 . 5 1 1 A 100 100 LEU N N 100 118.450 122.266 -3.816 1
1 1176 . 5 1 1 A 100 100 LEU H H 100 8.160 8.167 -0.007 1
1 1177 . 5 1 1 A 100 100 LEU CA C 100 58.094 58.580 -0.486 1
1 1178 . 5 1 1 A 100 100 LEU HA H 100 4.020 4.012 0.008 1
1 1179 . 5 1 1 A 100 100 LEU CB C 100 40.800 41.846 -1.046 1
1 1192 . 5 1 1 A 100 100 LEU C C 100 179.776 178.259 1.517 1
1 1193 . 5 1 1 A 101 101 SER N N 101 115.644 113.973 1.671 1
1 1194 . 5 1 1 A 101 101 SER H H 101 8.047 8.268 -0.221 1
1 1195 . 5 1 1 A 101 101 SER CA C 101 61.765 62.051 -0.286 1
1 1196 . 5 1 1 A 101 101 SER HA H 101 4.174 4.106 0.068 1
1 1197 . 5 1 1 A 101 101 SER CB C 101 62.609 62.790 -0.181 1
1 1200 . 5 1 1 A 101 101 SER C C 101 176.476 176.680 -0.204 1
1 1201 . 5 1 1 A 102 102 MET N N 102 120.653 120.089 0.564 1
1 1202 . 5 1 1 A 102 102 MET H H 102 8.027 7.973 0.054 1
1 1203 . 5 1 1 A 102 102 MET CA C 102 56.380 58.312 -1.932 1
1 1204 . 5 1 1 A 102 102 MET HA H 102 4.508 4.193 0.315 1
1 1205 . 5 1 1 A 102 102 MET CB C 102 30.731 33.077 -2.346 1
1 1215 . 5 1 1 A 102 102 MET C C 102 178.903 178.683 0.220 1
1 1216 . 5 1 1 A 103 103 VAL N N 103 119.836 119.727 0.109 1
1 1217 . 5 1 1 A 103 103 VAL H H 103 8.556 8.353 0.203 1
1 1218 . 5 1 1 A 103 103 VAL CA C 103 67.049 66.772 0.277 1
1 1219 . 5 1 1 A 103 103 VAL HA H 103 3.370 3.534 -0.164 1
1 1220 . 5 1 1 A 103 103 VAL CB C 103 31.583 31.478 0.105 1
1 1230 . 5 1 1 A 103 103 VAL C C 103 179.225 177.819 1.406 1
1 1231 . 5 1 1 A 104 104 MET N N 104 120.390 119.166 1.224 1
1 1232 . 5 1 1 A 104 104 MET H H 104 8.112 8.797 -0.685 1
1 1233 . 5 1 1 A 104 104 MET CA C 104 58.991 58.415 0.576 1
1 1234 . 5 1 1 A 104 104 MET HA H 104 4.047 4.260 -0.213 1
1 1235 . 5 1 1 A 104 104 MET CB C 104 31.979 32.382 -0.403 1
1 1245 . 5 1 1 A 104 104 MET C C 104 178.210 178.198 0.012 1
1 1246 . 5 1 1 A 105 105 TYR N N 105 120.956 122.014 -1.058 1
1 1247 . 5 1 1 A 105 105 TYR H H 105 8.185 7.836 0.349 1
1 1248 . 5 1 1 A 105 105 TYR CA C 105 61.449 61.676 -0.227 1
1 1249 . 5 1 1 A 105 105 TYR HA H 105 4.317 4.163 0.154 1
1 1250 . 5 1 1 A 105 105 TYR CB C 105 40.259 38.881 1.378 1
1 1261 . 5 1 1 A 105 105 TYR C C 105 177.805 177.279 0.526 1
1 1262 . 5 1 1 A 106 106 LEU N N 106 116.468 120.918 -4.450 1
1 1263 . 5 1 1 A 106 106 LEU H H 106 9.088 8.882 0.206 1
1 1264 . 5 1 1 A 106 106 LEU CA C 106 57.744 58.146 -0.402 1
1 1265 . 5 1 1 A 106 106 LEU HA H 106 4.139 4.130 0.009 1
1 1266 . 5 1 1 A 106 106 LEU CB C 106 42.285 41.455 0.830 1
1 1279 . 5 1 1 A 106 106 LEU C C 106 180.758 178.832 1.926 1
1 1280 . 5 1 1 A 107 107 SER N N 107 114.570 113.631 0.939 1
1 1281 . 5 1 1 A 107 107 SER H H 107 8.338 8.423 -0.085 1
1 1282 . 5 1 1 A 107 107 SER CA C 107 63.030 61.611 1.419 1
1 1283 . 5 1 1 A 107 107 SER HA H 107 4.016 4.035 -0.019 1
1 1284 . 5 1 1 A 107 107 SER CB C 107 62.866 62.871 -0.005 1
1 1287 . 5 1 1 A 107 107 SER C C 107 175.377 177.261 -1.884 1
1 1288 . 5 1 1 A 108 108 LYS N N 108 120.221 120.557 -0.336 1
1 1289 . 5 1 1 A 108 108 LYS H H 108 7.522 7.880 -0.358 1
1 1290 . 5 1 1 A 108 108 LYS CA C 108 58.870 59.165 -0.295 1
1 1291 . 5 1 1 A 108 108 LYS HA H 108 3.910 3.824 0.086 1
1 1292 . 5 1 1 A 108 108 LYS CB C 108 31.719 31.862 -0.143 1
1 1304 . 5 1 1 A 108 108 LYS C C 108 179.587 179.387 0.200 1
1 1305 . 5 1 1 A 109 109 PHE N N 109 118.900 119.327 -0.427 1
1 1306 . 5 1 1 A 109 109 PHE H H 109 7.282 7.822 -0.540 1
1 1307 . 5 1 1 A 109 109 PHE CA C 109 61.501 60.231 1.270 1
1 1308 . 5 1 1 A 109 109 PHE HA H 109 3.550 4.139 -0.589 1
1 1309 . 5 1 1 A 109 109 PHE CB C 109 38.201 38.789 -0.588 1
1 1322 . 5 1 1 A 109 109 PHE C C 109 176.181 178.009 -1.828 1
1 1323 . 5 1 1 A 110 110 TYR N N 110 120.089 119.518 0.571 1
1 1324 . 5 1 1 A 110 110 TYR H H 110 7.417 8.353 -0.936 1
1 1325 . 5 1 1 A 110 110 TYR CA C 110 60.263 61.673 -1.410 1
1 1326 . 5 1 1 A 110 110 TYR HA H 110 2.584 3.303 -0.719 1
1 1327 . 5 1 1 A 110 110 TYR CB C 110 38.138 38.534 -0.396 1
1 1338 . 5 1 1 A 110 110 TYR C C 110 176.298 177.464 -1.166 1
1 1339 . 5 1 1 A 111 111 GLU N N 111 115.750 118.315 -2.565 1
1 1340 . 5 1 1 A 111 111 GLU H H 111 7.899 8.058 -0.159 1
1 1341 . 5 1 1 A 111 111 GLU CA C 111 58.712 58.928 -0.216 1
1 1342 . 5 1 1 A 111 111 GLU HA H 111 3.528 3.973 -0.445 1
1 1343 . 5 1 1 A 111 111 GLU CB C 111 29.429 29.719 -0.290 1
1 1349 . 5 1 1 A 111 111 GLU C C 111 178.367 178.515 -0.148 1
1 1350 . 5 1 1 A 112 112 LEU N N 112 118.646 121.867 -3.221 1
1 1351 . 5 1 1 A 112 112 LEU H H 112 6.922 8.059 -1.137 1
1 1352 . 5 1 1 A 112 112 LEU CA C 112 57.107 58.011 -0.904 1
1 1353 . 5 1 1 A 112 112 LEU HA H 112 3.775 3.755 0.020 1
1 1354 . 5 1 1 A 112 112 LEU CB C 112 42.499 41.254 1.245 1
1 1367 . 5 1 1 A 112 112 LEU C C 112 178.820 177.991 0.829 1
1 1368 . 5 1 1 A 113 113 PHE N N 113 114.884 115.358 -0.474 1
1 1369 . 5 1 1 A 113 113 PHE H H 113 7.723 8.168 -0.445 1
1 1370 . 5 1 1 A 113 113 PHE CA C 113 57.108 59.897 -2.789 1
1 1371 . 5 1 1 A 113 113 PHE HA H 113 4.495 4.118 0.377 1
1 1372 . 5 1 1 A 113 113 PHE CB C 113 38.324 39.518 -1.194 1
1 1385 . 5 1 1 A 113 113 PHE C C 113 177.445 176.950 0.495 1
1 1386 . 5 1 1 A 114 114 ARG N N 114 119.913 117.503 2.410 1
1 1387 . 5 1 1 A 114 114 ARG H H 114 7.840 7.556 0.284 1
1 1388 . 5 1 1 A 114 114 ARG CA C 114 57.747 55.450 2.297 1
1 1389 . 5 1 1 A 114 114 ARG HA H 114 4.164 4.221 -0.057 1
1 1390 . 5 1 1 A 114 114 ARG CB C 114 28.994 29.249 -0.255 1
1 1399 . 5 1 1 A 114 114 ARG C C 114 177.051 176.212 0.839 1
1 1400 . 5 1 1 A 115 115 GLY N N 115 108.376 113.134 -4.758 1
1 1401 . 5 1 1 A 115 115 GLY H H 115 8.070 8.232 -0.162 1
1 1402 . 5 1 1 A 115 115 GLY CA C 115 45.201 46.675 -1.474 1
1 1403 . 5 1 1 A 115 115 GLY HA2 H 115 3.873 3.872 0.001 1
1 1404 . 5 1 1 A 115 115 GLY HA3 H 115 3.988 3.909 0.079 1
1 1405 . 5 1 1 A 115 115 GLY C C 115 173.987 174.611 -0.624 1
1 1406 . 5 1 1 A 116 116 THR N N 116 116.618 111.209 5.409 1
1 1407 . 5 1 1 A 116 116 THR H H 116 7.858 7.721 0.137 1
1 1408 . 5 1 1 A 116 116 THR CA C 116 60.032 60.201 -0.169 1
1 1409 . 5 1 1 A 116 116 THR HA H 116 4.620 4.544 0.076 1
1 1410 . 5 1 1 A 116 116 THR CB C 116 70.082 69.351 0.731 1
1 1416 . 5 1 1 A 116 116 THR C C 116 172.615 173.440 -0.825 1
1 1417 . 5 1 1 A 117 117 PRO CA C 117 63.086 62.811 0.275 1
1 1418 . 5 1 1 A 117 117 PRO HA H 117 4.451 4.708 -0.257 1
1 1419 . 5 1 1 A 117 117 PRO CB C 117 32.220 32.315 -0.095 1
1 1428 . 5 1 1 A 117 117 PRO C C 117 176.812 175.949 0.863 1
1 1429 . 5 1 1 A 118 118 LEU N N 118 122.695 123.462 -0.767 1
1 1430 . 5 1 1 A 118 118 LEU H H 118 8.424 8.507 -0.083 1
1 1431 . 5 1 1 A 118 118 LEU CA C 118 55.266 54.113 1.153 1
1 1432 . 5 1 1 A 118 118 LEU HA H 118 4.276 4.698 -0.422 1
1 1433 . 5 1 1 A 118 118 LEU CB C 118 42.339 41.788 0.551 1
1 1446 . 5 1 1 A 118 118 LEU C C 118 177.027 175.652 1.375 1
1 1447 . 5 1 1 A 119 119 ARG N N 119 122.979 126.100 -3.121 1
1 1448 . 5 1 1 A 119 119 ARG H H 119 8.250 8.651 -0.401 1
1 1449 . 5 1 1 A 119 119 ARG CA C 119 53.688 54.174 -0.486 1
1 1450 . 5 1 1 A 119 119 ARG HA H 119 4.644 4.449 0.195 1
1 1451 . 5 1 1 A 119 119 ARG CB C 119 30.469 30.761 -0.292 1
1 1460 . 5 1 1 A 119 119 ARG C C 119 174.019 174.925 -0.906 1
1 1461 . 5 1 1 A 120 120 PRO CA C 120 63.366 62.621 0.745 1
1 1462 . 5 1 1 A 120 120 PRO HA H 120 4.440 4.740 -0.300 1
1 1463 . 5 1 1 A 120 120 PRO CB C 120 31.958 31.752 0.206 1
1 1472 . 5 1 1 A 120 120 PRO C C 120 176.104 176.805 -0.701 1
1 1 . 6 1 1 A 6 6 SER CA C 6 58.867 57.891 0.976 1
1 2 . 6 1 1 A 6 6 SER HA H 6 4.432 4.811 -0.379 1
1 3 . 6 1 1 A 6 6 SER CB C 6 63.603 63.785 -0.182 1
1 6 . 6 1 1 A 6 6 SER C C 6 175.018 173.961 1.057 1
1 7 . 6 1 1 A 7 7 GLY N N 7 110.530 113.750 -3.220 1
1 8 . 6 1 1 A 7 7 GLY H H 7 8.382 8.410 -0.028 1
1 9 . 6 1 1 A 7 7 GLY CA C 7 45.311 44.877 0.434 1
1 10 . 6 1 1 A 7 7 GLY HA2 H 7 3.922 4.183 -0.261 1
1 11 . 6 1 1 A 7 7 GLY HA3 H 7 3.922 4.184 -0.262 1
1 12 . 6 1 1 A 7 7 GLY C C 7 173.740 172.266 1.474 1
1 13 . 6 1 1 A 8 8 ASP N N 8 120.471 123.575 -3.104 1
1 14 . 6 1 1 A 8 8 ASP H H 8 8.121 8.317 -0.196 1
1 15 . 6 1 1 A 8 8 ASP CA C 8 54.214 54.899 -0.685 1
1 16 . 6 1 1 A 8 8 ASP HA H 8 4.560 4.671 -0.111 1
1 17 . 6 1 1 A 8 8 ASP CB C 8 41.172 40.991 0.181 1
1 20 . 6 1 1 A 8 8 ASP C C 8 176.082 175.514 0.568 1
1 21 . 6 1 1 A 9 9 ILE N N 9 121.785 124.523 -2.738 1
1 22 . 6 1 1 A 9 9 ILE H H 9 8.115 8.832 -0.717 1
1 23 . 6 1 1 A 9 9 ILE CA C 9 60.327 61.324 -0.997 1
1 24 . 6 1 1 A 9 9 ILE HA H 9 4.083 4.196 -0.113 1
1 25 . 6 1 1 A 9 9 ILE CB C 9 38.394 37.715 0.679 1
1 38 . 6 1 1 A 9 9 ILE C C 9 175.579 175.526 0.053 1
1 39 . 6 1 1 A 10 10 ARG N N 10 125.977 126.400 -0.423 1
1 40 . 6 1 1 A 10 10 ARG H H 10 8.319 8.920 -0.601 1
1 41 . 6 1 1 A 10 10 ARG CA C 10 54.661 61.190 -6.529 1
1 42 . 6 1 1 A 10 10 ARG HA H 10 4.493 3.983 0.510 1
1 43 . 6 1 1 A 10 10 ARG CB C 10 29.730 29.408 0.322 1
1 52 . 6 1 1 A 10 10 ARG C C 10 175.511 176.726 -1.215 1
1 53 . 6 1 1 A 11 11 PRO CA C 11 65.595 64.395 1.200 1
1 54 . 6 1 1 A 11 11 PRO HA H 11 4.064 4.403 -0.339 1
1 55 . 6 1 1 A 11 11 PRO CB C 11 31.690 31.853 -0.163 1
1 64 . 6 1 1 A 12 12 SER CA C 12 60.656 61.307 -0.651 1
1 65 . 6 1 1 A 12 12 SER HA H 12 4.194 4.298 -0.104 1
1 66 . 6 1 1 A 12 12 SER CB C 12 62.321 62.729 -0.408 1
1 69 . 6 1 1 A 13 13 LYS H H 13 7.510 7.748 -0.238 1
1 70 . 6 1 1 A 13 13 LYS CA C 13 58.585 59.456 -0.871 1
1 71 . 6 1 1 A 13 13 LYS HA H 13 4.186 4.067 0.119 1
1 72 . 6 1 1 A 13 13 LYS CB C 13 32.274 32.550 -0.276 1
1 84 . 6 1 1 A 13 13 LYS C C 13 179.028 178.778 0.250 1
1 85 . 6 1 1 A 14 14 LEU N N 14 121.315 121.885 -0.570 1
1 86 . 6 1 1 A 14 14 LEU H H 14 7.968 8.270 -0.302 1
1 87 . 6 1 1 A 14 14 LEU CA C 14 57.648 58.386 -0.738 1
1 88 . 6 1 1 A 14 14 LEU HA H 14 3.889 4.100 -0.211 1
1 89 . 6 1 1 A 14 14 LEU CB C 14 42.171 41.742 0.429 1
1 102 . 6 1 1 A 14 14 LEU C C 14 178.689 178.659 0.030 1
1 103 . 6 1 1 A 15 15 LEU N N 15 120.526 119.865 0.661 1
1 104 . 6 1 1 A 15 15 LEU H H 15 8.546 7.804 0.742 1
1 105 . 6 1 1 A 15 15 LEU CA C 15 59.227 58.565 0.662 1
1 106 . 6 1 1 A 15 15 LEU HA H 15 4.038 4.150 -0.112 1
1 107 . 6 1 1 A 15 15 LEU CB C 15 40.993 41.761 -0.768 1
1 120 . 6 1 1 A 15 15 LEU C C 15 178.020 178.823 -0.803 1
1 121 . 6 1 1 A 16 16 THR N N 16 114.667 113.522 1.145 1
1 122 . 6 1 1 A 16 16 THR H H 16 7.945 7.969 -0.024 1
1 123 . 6 1 1 A 16 16 THR CA C 16 66.778 66.519 0.259 1
1 124 . 6 1 1 A 16 16 THR HA H 16 4.162 4.252 -0.090 1
1 125 . 6 1 1 A 16 16 THR CB C 16 68.914 68.523 0.391 1
1 131 . 6 1 1 A 16 16 THR C C 16 176.419 176.725 -0.306 1
1 132 . 6 1 1 A 17 17 TRP N N 17 122.548 121.244 1.304 1
1 133 . 6 1 1 A 17 17 TRP H H 17 8.242 8.304 -0.062 1
1 134 . 6 1 1 A 17 17 TRP CA C 17 63.006 61.634 1.372 1
1 135 . 6 1 1 A 17 17 TRP HA H 17 4.442 4.225 0.217 1
1 136 . 6 1 1 A 17 17 TRP CB C 17 28.530 29.884 -1.354 1
1 151 . 6 1 1 A 17 17 TRP C C 17 178.678 177.656 1.022 1
1 152 . 6 1 1 A 18 18 CYS N N 18 117.202 116.944 0.258 1
1 153 . 6 1 1 A 18 18 CYS H H 18 8.993 8.225 0.768 1
1 154 . 6 1 1 A 18 18 CYS CA C 18 64.830 63.511 1.319 1
1 155 . 6 1 1 A 18 18 CYS HA H 18 3.855 3.714 0.141 1
1 156 . 6 1 1 A 18 18 CYS CB C 18 27.945 27.048 0.897 1
1 159 . 6 1 1 A 18 18 CYS C C 18 178.411 177.043 1.368 1
1 160 . 6 1 1 A 19 19 GLN N N 19 120.296 119.592 0.704 1
1 161 . 6 1 1 A 19 19 GLN H H 19 8.696 8.572 0.124 1
1 162 . 6 1 1 A 19 19 GLN CA C 19 59.705 59.142 0.563 1
1 163 . 6 1 1 A 19 19 GLN HA H 19 3.654 3.959 -0.305 1
1 164 . 6 1 1 A 19 19 GLN CB C 19 27.820 28.275 -0.455 1
1 173 . 6 1 1 A 19 19 GLN C C 19 177.957 178.861 -0.904 1
1 174 . 6 1 1 A 20 20 GLN N N 20 119.247 118.810 0.437 1
1 175 . 6 1 1 A 20 20 GLN H H 20 8.306 7.957 0.349 1
1 176 . 6 1 1 A 20 20 GLN CA C 20 58.838 59.048 -0.210 1
1 177 . 6 1 1 A 20 20 GLN HA H 20 4.016 3.986 0.030 1
1 178 . 6 1 1 A 20 20 GLN CB C 20 28.000 28.355 -0.355 1
1 187 . 6 1 1 A 20 20 GLN C C 20 179.476 178.913 0.563 1
1 188 . 6 1 1 A 21 21 GLN N N 21 113.337 119.006 -5.669 1
1 189 . 6 1 1 A 21 21 GLN H H 21 7.999 7.751 0.248 1
1 190 . 6 1 1 A 21 21 GLN CA C 21 55.909 58.870 -2.961 1
1 191 . 6 1 1 A 21 21 GLN HA H 21 4.043 3.771 0.272 1
1 192 . 6 1 1 A 21 21 GLN CB C 21 27.676 27.797 -0.121 1
1 201 . 6 1 1 A 21 21 GLN C C 21 177.394 177.089 0.305 1
1 202 . 6 1 1 A 22 22 THR N N 22 103.485 107.945 -4.460 1
1 203 . 6 1 1 A 22 22 THR H H 22 7.119 7.417 -0.298 1
1 204 . 6 1 1 A 22 22 THR CA C 22 61.272 61.520 -0.248 1
1 205 . 6 1 1 A 22 22 THR HA H 22 4.092 3.985 0.107 1
1 206 . 6 1 1 A 22 22 THR CB C 22 69.448 68.738 0.710 1
1 212 . 6 1 1 A 22 22 THR C C 22 174.644 173.830 0.814 1
1 213 . 6 1 1 A 23 23 GLU N N 23 125.366 123.552 1.814 1
1 214 . 6 1 1 A 23 23 GLU H H 23 6.949 7.596 -0.647 1
1 215 . 6 1 1 A 23 23 GLU CA C 23 58.389 57.522 0.867 1
1 216 . 6 1 1 A 23 23 GLU HA H 23 3.999 4.213 -0.214 1
1 217 . 6 1 1 A 23 23 GLU CB C 23 29.683 30.128 -0.445 1
1 223 . 6 1 1 A 23 23 GLU C C 23 177.061 177.289 -0.228 1
1 224 . 6 1 1 A 24 24 GLY N N 24 112.717 114.796 -2.079 1
1 225 . 6 1 1 A 24 24 GLY H H 24 8.732 8.925 -0.193 1
1 226 . 6 1 1 A 24 24 GLY CA C 24 45.326 45.094 0.232 1
1 227 . 6 1 1 A 24 24 GLY HA2 H 24 3.988 3.938 0.050 1
1 228 . 6 1 1 A 24 24 GLY HA3 H 24 3.538 3.943 -0.405 1
1 229 . 6 1 1 A 24 24 GLY C C 24 174.531 174.100 0.431 1
1 230 . 6 1 1 A 25 25 TYR N N 25 120.189 119.754 0.435 1
1 231 . 6 1 1 A 25 25 TYR H H 25 7.488 7.935 -0.447 1
1 232 . 6 1 1 A 25 25 TYR CA C 25 59.028 58.184 0.844 1
1 233 . 6 1 1 A 25 25 TYR HA H 25 3.947 4.267 -0.320 1
1 234 . 6 1 1 A 25 25 TYR CB C 25 37.202 38.788 -1.586 1
1 245 . 6 1 1 A 25 25 TYR C C 25 176.354 175.351 1.003 1
1 246 . 6 1 1 A 26 26 GLN N N 26 125.301 122.092 3.209 1
1 247 . 6 1 1 A 26 26 GLN H H 26 8.877 8.551 0.326 1
1 248 . 6 1 1 A 26 26 GLN CA C 26 56.923 54.852 2.071 1
1 249 . 6 1 1 A 26 26 GLN HA H 26 3.866 4.490 -0.624 1
1 250 . 6 1 1 A 26 26 GLN CB C 26 28.808 30.436 -1.628 1
1 259 . 6 1 1 A 26 26 GLN C C 26 175.582 175.877 -0.295 1
1 260 . 6 1 1 A 27 27 HIS N N 27 111.738 115.540 -3.802 1
1 261 . 6 1 1 A 27 27 HIS H H 27 8.581 8.447 0.134 1
1 262 . 6 1 1 A 27 27 HIS CA C 27 56.937 56.846 0.091 1
1 263 . 6 1 1 A 27 27 HIS HA H 27 4.174 4.065 0.109 1
1 264 . 6 1 1 A 27 27 HIS CB C 27 26.839 26.981 -0.142 1
1 271 . 6 1 1 A 27 27 HIS C C 27 172.979 174.180 -1.201 1
1 272 . 6 1 1 A 28 28 VAL N N 28 118.229 119.111 -0.882 1
1 273 . 6 1 1 A 28 28 VAL H H 28 7.377 7.617 -0.240 1
1 274 . 6 1 1 A 28 28 VAL CA C 28 61.927 61.751 0.176 1
1 275 . 6 1 1 A 28 28 VAL HA H 28 3.922 4.244 -0.322 1
1 276 . 6 1 1 A 28 28 VAL CB C 28 33.373 32.761 0.612 1
1 286 . 6 1 1 A 28 28 VAL C C 28 174.687 173.460 1.227 1
1 287 . 6 1 1 A 29 29 ASN N N 29 125.832 127.902 -2.070 1
1 288 . 6 1 1 A 29 29 ASN H H 29 8.604 9.177 -0.573 1
1 289 . 6 1 1 A 29 29 ASN CA C 29 52.651 51.896 0.755 1
1 290 . 6 1 1 A 29 29 ASN HA H 29 4.682 5.186 -0.504 1
1 291 . 6 1 1 A 29 29 ASN CB C 29 39.124 39.356 -0.232 1
1 297 . 6 1 1 A 29 29 ASN C C 29 173.380 173.802 -0.422 1
1 298 . 6 1 1 A 30 30 VAL N N 30 125.146 126.810 -1.664 1
1 299 . 6 1 1 A 30 30 VAL H H 30 9.203 8.891 0.312 1
1 300 . 6 1 1 A 30 30 VAL CA C 30 63.838 62.935 0.903 1
1 301 . 6 1 1 A 30 30 VAL HA H 30 3.699 4.052 -0.353 1
1 302 . 6 1 1 A 30 30 VAL CB C 30 31.136 30.806 0.330 1
1 312 . 6 1 1 A 30 30 VAL C C 30 176.046 176.646 -0.600 1
1 313 . 6 1 1 A 31 31 THR N N 31 118.952 118.739 0.213 1
1 314 . 6 1 1 A 31 31 THR H H 31 8.396 8.601 -0.205 1
1 315 . 6 1 1 A 31 31 THR CA C 31 60.985 62.218 -1.233 1
1 316 . 6 1 1 A 31 31 THR HA H 31 4.316 4.605 -0.289 1
1 317 . 6 1 1 A 31 31 THR CB C 31 70.087 69.901 0.186 1
1 323 . 6 1 1 A 31 31 THR C C 31 173.296 174.753 -1.457 1
1 324 . 6 1 1 A 32 32 ASP N N 32 120.757 120.488 0.269 1
1 325 . 6 1 1 A 32 32 ASP H H 32 8.078 7.330 0.748 1
1 326 . 6 1 1 A 32 32 ASP CA C 32 53.069 53.062 0.007 1
1 327 . 6 1 1 A 32 32 ASP HA H 32 4.536 5.090 -0.554 1
1 328 . 6 1 1 A 32 32 ASP CB C 32 41.527 44.064 -2.537 1
1 331 . 6 1 1 A 32 32 ASP C C 32 174.931 175.649 -0.718 1
1 332 . 6 1 1 A 33 33 LEU N N 33 117.024 120.331 -3.307 1
1 333 . 6 1 1 A 33 33 LEU H H 33 8.733 8.420 0.313 1
1 334 . 6 1 1 A 33 33 LEU CA C 33 54.453 54.494 -0.041 1
1 335 . 6 1 1 A 33 33 LEU HA H 33 4.834 5.020 -0.186 1
1 336 . 6 1 1 A 33 33 LEU CB C 33 41.867 41.741 0.126 1
1 349 . 6 1 1 A 33 33 LEU C C 33 174.039 177.155 -3.116 1
1 350 . 6 1 1 A 34 34 THR N N 34 103.873 112.045 -8.172 1
1 351 . 6 1 1 A 34 34 THR H H 34 7.900 7.890 0.010 1
1 352 . 6 1 1 A 34 34 THR CA C 34 60.434 62.572 -2.138 1
1 353 . 6 1 1 A 34 34 THR HA H 34 4.519 4.671 -0.152 1
1 354 . 6 1 1 A 34 34 THR CB C 34 70.237 69.945 0.292 1
1 360 . 6 1 1 A 34 34 THR C C 34 175.954 175.743 0.211 1
1 361 . 6 1 1 A 35 35 THR N N 35 118.103 114.546 3.557 1
1 362 . 6 1 1 A 35 35 THR H H 35 9.363 8.522 0.841 1
1 363 . 6 1 1 A 35 35 THR CA C 35 66.422 65.157 1.265 1
1 364 . 6 1 1 A 35 35 THR HA H 35 3.981 4.191 -0.210 1
1 365 . 6 1 1 A 35 35 THR CB C 35 68.720 68.537 0.183 1
1 371 . 6 1 1 A 35 35 THR C C 35 177.778 176.909 0.869 1
1 372 . 6 1 1 A 36 36 SER N N 36 120.417 116.636 3.781 1
1 373 . 6 1 1 A 36 36 SER H H 36 10.544 8.346 2.198 1
1 374 . 6 1 1 A 36 36 SER CA C 36 61.076 62.489 -1.413 1
1 375 . 6 1 1 A 36 36 SER HA H 36 4.395 4.196 0.199 1
1 376 . 6 1 1 A 36 36 SER CB C 36 63.485 63.125 0.360 1
1 379 . 6 1 1 A 36 36 SER C C 36 173.956 175.505 -1.549 1
1 380 . 6 1 1 A 37 37 TRP N N 37 121.387 118.771 2.616 1
1 381 . 6 1 1 A 37 37 TRP H H 37 8.126 8.124 0.002 1
1 382 . 6 1 1 A 37 37 TRP CA C 37 57.689 56.456 1.233 1
1 383 . 6 1 1 A 37 37 TRP HA H 37 4.340 5.079 -0.739 1
1 384 . 6 1 1 A 37 37 TRP CB C 37 28.915 29.022 -0.107 1
1 399 . 6 1 1 A 37 37 TRP C C 37 176.751 176.633 0.118 1
1 400 . 6 1 1 A 38 38 ARG N N 38 121.787 119.318 2.469 1
1 401 . 6 1 1 A 38 38 ARG H H 38 7.473 8.322 -0.849 1
1 402 . 6 1 1 A 38 38 ARG CA C 38 60.250 58.676 1.574 1
1 403 . 6 1 1 A 38 38 ARG HA H 38 4.065 4.291 -0.226 1
1 404 . 6 1 1 A 38 38 ARG CB C 38 30.807 30.429 0.378 1
1 415 . 6 1 1 A 38 38 ARG C C 38 177.636 178.403 -0.767 1
1 416 . 6 1 1 A 39 39 SER N N 39 110.340 114.853 -4.513 1
1 417 . 6 1 1 A 39 39 SER H H 39 8.665 7.789 0.876 1
1 418 . 6 1 1 A 39 39 SER CA C 39 59.336 58.961 0.375 1
1 419 . 6 1 1 A 39 39 SER HA H 39 4.349 4.521 -0.172 1
1 420 . 6 1 1 A 39 39 SER CB C 39 64.907 64.262 0.645 1
1 423 . 6 1 1 A 39 39 SER C C 39 174.768 174.578 0.190 1
1 424 . 6 1 1 A 40 40 GLY N N 40 109.467 108.740 0.727 1
1 425 . 6 1 1 A 40 40 GLY H H 40 7.549 7.792 -0.243 1
1 426 . 6 1 1 A 40 40 GLY CA C 40 46.347 45.321 1.026 1
1 427 . 6 1 1 A 40 40 GLY HA2 H 40 3.875 3.874 0.001 1
1 428 . 6 1 1 A 40 40 GLY HA3 H 40 3.915 3.919 -0.004 1
1 429 . 6 1 1 A 40 40 GLY C C 40 173.725 175.965 -2.240 1
1 430 . 6 1 1 A 41 41 LEU N N 41 117.562 121.753 -4.191 1
1 431 . 6 1 1 A 41 41 LEU H H 41 7.287 8.139 -0.852 1
1 432 . 6 1 1 A 41 41 LEU CA C 41 57.482 57.591 -0.109 1
1 433 . 6 1 1 A 41 41 LEU HA H 41 3.882 3.831 0.051 1
1 434 . 6 1 1 A 41 41 LEU CB C 41 42.615 41.779 0.836 1
1 447 . 6 1 1 A 41 41 LEU C C 41 178.159 178.749 -0.590 1
1 448 . 6 1 1 A 42 42 ALA N N 42 121.758 121.649 0.109 1
1 449 . 6 1 1 A 42 42 ALA H H 42 8.506 8.105 0.401 1
1 450 . 6 1 1 A 42 42 ALA CA C 42 55.694 54.963 0.731 1
1 451 . 6 1 1 A 42 42 ALA HA H 42 3.582 3.686 -0.104 1
1 452 . 6 1 1 A 42 42 ALA CB C 42 17.039 17.670 -0.631 1
1 456 . 6 1 1 A 42 42 ALA C C 42 178.076 179.361 -1.285 1
1 457 . 6 1 1 A 43 43 LEU N N 43 118.332 118.989 -0.657 1
1 458 . 6 1 1 A 43 43 LEU H H 43 8.933 7.815 1.118 1
1 459 . 6 1 1 A 43 43 LEU CA C 43 57.425 57.758 -0.333 1
1 460 . 6 1 1 A 43 43 LEU HA H 43 4.308 4.190 0.118 1
1 461 . 6 1 1 A 43 43 LEU CB C 43 42.068 41.906 0.162 1
1 474 . 6 1 1 A 43 43 LEU C C 43 179.198 178.421 0.777 1
1 475 . 6 1 1 A 44 44 CYS N N 44 115.098 117.134 -2.036 1
1 476 . 6 1 1 A 44 44 CYS H H 44 7.607 8.457 -0.850 1
1 477 . 6 1 1 A 44 44 CYS CA C 44 65.664 62.476 3.188 1
1 478 . 6 1 1 A 44 44 CYS HA H 44 4.035 4.151 -0.116 1
1 479 . 6 1 1 A 44 44 CYS CB C 44 27.516 26.807 0.709 1
1 482 . 6 1 1 A 44 44 CYS C C 44 176.222 177.236 -1.014 1
1 483 . 6 1 1 A 45 45 ALA N N 45 121.778 122.117 -0.339 1
1 484 . 6 1 1 A 45 45 ALA H H 45 8.435 7.899 0.536 1
1 485 . 6 1 1 A 45 45 ALA CA C 45 55.306 55.063 0.243 1
1 486 . 6 1 1 A 45 45 ALA HA H 45 3.184 4.146 -0.962 1
1 487 . 6 1 1 A 45 45 ALA CB C 45 17.395 18.050 -0.655 1
1 491 . 6 1 1 A 45 45 ALA C C 45 177.510 179.708 -2.198 1
1 492 . 6 1 1 A 46 46 ILE N N 46 116.463 117.434 -0.971 1
1 493 . 6 1 1 A 46 46 ILE H H 46 7.527 7.422 0.105 1
1 494 . 6 1 1 A 46 46 ILE CA C 46 65.137 65.050 0.087 1
1 495 . 6 1 1 A 46 46 ILE HA H 46 3.267 3.538 -0.271 1
1 496 . 6 1 1 A 46 46 ILE CB C 46 37.084 37.749 -0.665 1
1 509 . 6 1 1 A 46 46 ILE C C 46 176.744 178.468 -1.724 1
1 510 . 6 1 1 A 47 47 ILE N N 47 115.676 120.069 -4.393 1
1 511 . 6 1 1 A 47 47 ILE H H 47 7.786 7.704 0.082 1
1 512 . 6 1 1 A 47 47 ILE CA C 47 66.948 65.182 1.766 1
1 513 . 6 1 1 A 47 47 ILE HA H 47 3.754 3.852 -0.098 1
1 514 . 6 1 1 A 47 47 ILE CB C 47 38.335 38.039 0.296 1
1 527 . 6 1 1 A 47 47 ILE C C 47 176.853 178.174 -1.321 1
1 528 . 6 1 1 A 48 48 HIS N N 48 120.066 120.381 -0.315 1
1 529 . 6 1 1 A 48 48 HIS H H 48 8.569 8.726 -0.157 1
1 530 . 6 1 1 A 48 48 HIS CA C 48 60.767 59.807 0.960 1
1 531 . 6 1 1 A 48 48 HIS HA H 48 3.918 4.106 -0.188 1
1 532 . 6 1 1 A 48 48 HIS CB C 48 31.245 30.385 0.860 1
1 539 . 6 1 1 A 48 48 HIS C C 48 175.841 177.159 -1.318 1
1 540 . 6 1 1 A 49 49 ARG N N 49 118.781 119.388 -0.607 1
1 541 . 6 1 1 A 49 49 ARG H H 49 8.572 8.608 -0.036 1
1 542 . 6 1 1 A 49 49 ARG CA C 49 58.152 59.478 -1.326 1
1 543 . 6 1 1 A 49 49 ARG HA H 49 3.680 3.695 -0.015 1
1 544 . 6 1 1 A 49 49 ARG CB C 49 28.454 29.878 -1.424 1
1 555 . 6 1 1 A 49 49 ARG C C 49 177.830 179.124 -1.294 1
1 556 . 6 1 1 A 50 50 PHE N N 50 113.909 117.957 -4.048 1
1 557 . 6 1 1 A 50 50 PHE H H 50 6.900 7.992 -1.092 1
1 558 . 6 1 1 A 50 50 PHE CA C 50 59.885 60.067 -0.182 1
1 559 . 6 1 1 A 50 50 PHE HA H 50 4.281 4.373 -0.092 1
1 560 . 6 1 1 A 50 50 PHE CB C 50 41.527 39.322 2.205 1
1 573 . 6 1 1 A 50 50 PHE C C 50 176.867 176.062 0.805 1
1 574 . 6 1 1 A 51 51 ARG N N 51 120.652 118.978 1.674 1
1 575 . 6 1 1 A 51 51 ARG H H 51 9.059 8.389 0.670 1
1 576 . 6 1 1 A 51 51 ARG CA C 51 51.499 53.865 -2.366 1
1 577 . 6 1 1 A 51 51 ARG HA H 51 4.942 4.856 0.086 1
1 578 . 6 1 1 A 51 51 ARG CB C 51 30.307 30.757 -0.450 1
1 589 . 6 1 1 A 51 51 ARG C C 51 172.670 174.690 -2.020 1
1 590 . 6 1 1 A 52 52 PRO CA C 52 64.948 64.395 0.553 1
1 591 . 6 1 1 A 52 52 PRO HA H 52 4.343 4.671 -0.328 1
1 592 . 6 1 1 A 52 52 PRO CB C 52 31.091 31.764 -0.673 1
1 601 . 6 1 1 A 52 52 PRO C C 52 177.406 177.417 -0.011 1
1 602 . 6 1 1 A 53 53 GLU N N 53 118.219 115.943 2.276 1
1 603 . 6 1 1 A 53 53 GLU H H 53 9.784 9.046 0.738 1
1 604 . 6 1 1 A 53 53 GLU CA C 53 57.285 58.513 -1.228 1
1 605 . 6 1 1 A 53 53 GLU HA H 53 4.322 4.192 0.130 1
1 606 . 6 1 1 A 53 53 GLU CB C 53 27.771 28.175 -0.404 1
1 612 . 6 1 1 A 53 53 GLU C C 53 177.957 178.548 -0.591 1
1 613 . 6 1 1 A 54 54 LEU N N 54 119.316 118.374 0.942 1
1 614 . 6 1 1 A 54 54 LEU H H 54 8.212 7.364 0.848 1
1 615 . 6 1 1 A 54 54 LEU CA C 54 55.943 56.255 -0.312 1
1 616 . 6 1 1 A 54 54 LEU HA H 54 4.337 4.331 0.006 1
1 617 . 6 1 1 A 54 54 LEU CB C 54 43.122 43.568 -0.446 1
1 630 . 6 1 1 A 54 54 LEU C C 54 177.159 176.807 0.352 1
1 631 . 6 1 1 A 55 55 ILE N N 55 115.493 118.137 -2.644 1
1 632 . 6 1 1 A 55 55 ILE H H 55 6.990 7.774 -0.784 1
1 633 . 6 1 1 A 55 55 ILE CA C 55 59.645 60.117 -0.472 1
1 634 . 6 1 1 A 55 55 ILE HA H 55 4.230 4.847 -0.617 1
1 635 . 6 1 1 A 55 55 ILE CB C 55 43.159 42.383 0.776 1
1 648 . 6 1 1 A 55 55 ILE C C 55 173.302 174.432 -1.130 1
1 649 . 6 1 1 A 56 56 ASN N N 56 124.568 124.550 0.018 1
1 650 . 6 1 1 A 56 56 ASN H H 56 8.984 8.736 0.248 1
1 651 . 6 1 1 A 56 56 ASN CA C 56 51.198 51.282 -0.084 1
1 652 . 6 1 1 A 56 56 ASN HA H 56 5.100 4.998 0.102 1
1 653 . 6 1 1 A 56 56 ASN CB C 56 36.452 38.615 -2.163 1
1 659 . 6 1 1 A 56 56 ASN C C 56 175.902 175.255 0.647 1
1 660 . 6 1 1 A 57 57 PHE N N 57 126.548 126.323 0.225 1
1 661 . 6 1 1 A 57 57 PHE H H 57 7.219 8.209 -0.990 1
1 662 . 6 1 1 A 57 57 PHE CA C 57 62.399 62.421 -0.022 1
1 663 . 6 1 1 A 57 57 PHE HA H 57 3.514 3.826 -0.312 1
1 664 . 6 1 1 A 57 57 PHE CB C 57 39.553 39.396 0.157 1
1 677 . 6 1 1 A 57 57 PHE C C 57 176.597 176.636 -0.039 1
1 678 . 6 1 1 A 58 58 ASP N N 58 116.755 118.697 -1.942 1
1 679 . 6 1 1 A 58 58 ASP H H 58 8.691 8.357 0.334 1
1 680 . 6 1 1 A 58 58 ASP CA C 58 56.635 56.571 0.064 1
1 681 . 6 1 1 A 58 58 ASP HA H 58 4.324 4.515 -0.191 1
1 682 . 6 1 1 A 58 58 ASP CB C 58 40.262 40.047 0.215 1
1 685 . 6 1 1 A 58 58 ASP C C 58 176.562 178.209 -1.647 1
1 686 . 6 1 1 A 59 59 SER N N 59 112.320 113.914 -1.594 1
1 687 . 6 1 1 A 59 59 SER H H 59 7.412 8.242 -0.830 1
1 688 . 6 1 1 A 59 59 SER CA C 59 58.740 61.248 -2.508 1
1 689 . 6 1 1 A 59 59 SER HA H 59 4.365 4.297 0.068 1
1 690 . 6 1 1 A 59 59 SER CB C 59 64.598 62.814 1.784 1
1 693 . 6 1 1 A 59 59 SER C C 59 174.309 174.840 -0.531 1
1 694 . 6 1 1 A 60 60 LEU N N 60 121.693 121.588 0.105 1
1 695 . 6 1 1 A 60 60 LEU H H 60 7.176 7.397 -0.221 1
1 696 . 6 1 1 A 60 60 LEU CA C 60 54.593 55.702 -1.109 1
1 697 . 6 1 1 A 60 60 LEU HA H 60 4.196 3.987 0.209 1
1 698 . 6 1 1 A 60 60 LEU CB C 60 40.943 41.684 -0.741 1
1 711 . 6 1 1 A 60 60 LEU C C 60 176.774 175.944 0.830 1
1 712 . 6 1 1 A 61 61 ASN N N 61 121.648 124.689 -3.041 1
1 713 . 6 1 1 A 61 61 ASN H H 61 9.391 8.398 0.993 1
1 714 . 6 1 1 A 61 61 ASN CA C 61 51.763 51.804 -0.041 1
1 715 . 6 1 1 A 61 61 ASN HA H 61 4.721 4.991 -0.270 1
1 716 . 6 1 1 A 61 61 ASN CB C 61 40.025 40.425 -0.400 1
1 722 . 6 1 1 A 61 61 ASN C C 61 176.599 175.529 1.070 1
1 723 . 6 1 1 A 62 62 GLU N N 62 126.707 125.672 1.035 1
1 724 . 6 1 1 A 62 62 GLU H H 62 9.255 9.061 0.194 1
1 725 . 6 1 1 A 62 62 GLU CA C 62 58.926 60.487 -1.561 1
1 726 . 6 1 1 A 62 62 GLU HA H 62 3.688 3.835 -0.147 1
1 727 . 6 1 1 A 62 62 GLU CB C 62 29.479 29.645 -0.166 1
1 733 . 6 1 1 A 62 62 GLU C C 62 176.196 178.007 -1.811 1
1 734 . 6 1 1 A 63 63 ASP N N 63 116.763 119.899 -3.136 1
1 735 . 6 1 1 A 63 63 ASP H H 63 8.317 7.850 0.467 1
1 736 . 6 1 1 A 63 63 ASP CA C 63 55.499 57.774 -2.275 1
1 737 . 6 1 1 A 63 63 ASP HA H 63 4.509 4.293 0.216 1
1 738 . 6 1 1 A 63 63 ASP CB C 63 40.697 41.215 -0.518 1
1 741 . 6 1 1 A 63 63 ASP C C 63 177.195 177.627 -0.432 1
1 742 . 6 1 1 A 64 64 ASP N N 64 123.036 116.854 6.182 1
1 743 . 6 1 1 A 64 64 ASP H H 64 7.422 8.376 -0.954 1
1 744 . 6 1 1 A 64 64 ASP CA C 64 52.760 53.671 -0.911 1
1 745 . 6 1 1 A 64 64 ASP HA H 64 4.949 4.834 0.115 1
1 746 . 6 1 1 A 64 64 ASP CB C 64 38.920 39.972 -1.052 1
1 749 . 6 1 1 A 64 64 ASP C C 64 174.979 176.169 -1.190 1
1 750 . 6 1 1 A 65 65 ALA N N 65 123.411 122.844 0.567 1
1 751 . 6 1 1 A 65 65 ALA H H 65 7.527 8.088 -0.561 1
1 752 . 6 1 1 A 65 65 ALA CA C 65 55.750 55.109 0.641 1
1 753 . 6 1 1 A 65 65 ALA HA H 65 4.295 4.048 0.247 1
1 754 . 6 1 1 A 65 65 ALA CB C 65 19.889 18.682 1.207 1
1 758 . 6 1 1 A 65 65 ALA C C 65 181.114 179.586 1.528 1
1 759 . 6 1 1 A 66 66 VAL N N 66 119.151 118.002 1.149 1
1 760 . 6 1 1 A 66 66 VAL H H 66 8.305 8.183 0.122 1
1 761 . 6 1 1 A 66 66 VAL CA C 66 67.423 66.954 0.469 1
1 762 . 6 1 1 A 66 66 VAL HA H 66 3.292 3.542 -0.250 1
1 763 . 6 1 1 A 66 66 VAL CB C 66 31.418 31.525 -0.107 1
1 773 . 6 1 1 A 66 66 VAL C C 66 177.471 177.933 -0.462 1
1 774 . 6 1 1 A 67 67 GLU N N 67 117.895 119.016 -1.121 1
1 775 . 6 1 1 A 67 67 GLU H H 67 8.256 8.132 0.124 1
1 776 . 6 1 1 A 67 67 GLU CA C 67 59.831 59.734 0.097 1
1 777 . 6 1 1 A 67 67 GLU HA H 67 3.901 3.961 -0.060 1
1 778 . 6 1 1 A 67 67 GLU CB C 67 28.963 29.513 -0.550 1
1 784 . 6 1 1 A 67 67 GLU C C 67 179.796 179.221 0.575 1
1 785 . 6 1 1 A 68 68 ASN N N 68 119.611 117.920 1.691 1
1 786 . 6 1 1 A 68 68 ASN H H 68 9.019 8.552 0.467 1
1 787 . 6 1 1 A 68 68 ASN CA C 68 55.797 56.395 -0.598 1
1 788 . 6 1 1 A 68 68 ASN HA H 68 4.325 4.324 0.001 1
1 789 . 6 1 1 A 68 68 ASN CB C 68 37.140 37.682 -0.542 1
1 795 . 6 1 1 A 68 68 ASN C C 68 177.193 178.106 -0.913 1
1 796 . 6 1 1 A 69 69 ASN N N 69 115.555 118.271 -2.716 1
1 797 . 6 1 1 A 69 69 ASN H H 69 7.589 8.012 -0.423 1
1 798 . 6 1 1 A 69 69 ASN CA C 69 57.155 55.894 1.261 1
1 799 . 6 1 1 A 69 69 ASN HA H 69 3.880 4.177 -0.297 1
1 800 . 6 1 1 A 69 69 ASN CB C 69 40.785 38.355 2.430 1
1 806 . 6 1 1 A 69 69 ASN C C 69 175.062 177.837 -2.775 1
1 807 . 6 1 1 A 70 70 GLN N N 70 115.794 118.888 -3.094 1
1 808 . 6 1 1 A 70 70 GLN H H 70 8.058 8.082 -0.024 1
1 809 . 6 1 1 A 70 70 GLN CA C 70 58.400 59.240 -0.840 1
1 810 . 6 1 1 A 70 70 GLN HA H 70 3.591 4.272 -0.681 1
1 811 . 6 1 1 A 70 70 GLN CB C 70 29.420 28.384 1.036 1
1 820 . 6 1 1 A 70 70 GLN C C 70 176.954 178.580 -1.626 1
1 821 . 6 1 1 A 71 71 LEU N N 71 118.631 121.834 -3.203 1
1 822 . 6 1 1 A 71 71 LEU H H 71 8.090 8.342 -0.252 1
1 823 . 6 1 1 A 71 71 LEU CA C 71 58.121 58.472 -0.351 1
1 824 . 6 1 1 A 71 71 LEU HA H 71 4.291 4.003 0.288 1
1 825 . 6 1 1 A 71 71 LEU CB C 71 42.100 41.981 0.119 1
1 838 . 6 1 1 A 71 71 LEU C C 71 177.664 178.122 -0.458 1
1 839 . 6 1 1 A 72 72 ALA N N 72 119.977 120.074 -0.097 1
1 840 . 6 1 1 A 72 72 ALA H H 72 7.274 7.882 -0.608 1
1 841 . 6 1 1 A 72 72 ALA CA C 72 55.807 55.097 0.710 1
1 842 . 6 1 1 A 72 72 ALA HA H 72 3.873 4.106 -0.233 1
1 843 . 6 1 1 A 72 72 ALA CB C 72 18.412 18.526 -0.114 1
1 847 . 6 1 1 A 72 72 ALA C C 72 179.676 180.146 -0.470 1
1 848 . 6 1 1 A 73 73 PHE N N 73 115.018 116.225 -1.207 1
1 849 . 6 1 1 A 73 73 PHE H H 73 8.722 7.865 0.857 1
1 850 . 6 1 1 A 73 73 PHE CA C 73 56.889 61.896 -5.007 1
1 851 . 6 1 1 A 73 73 PHE HA H 73 4.848 4.566 0.282 1
1 852 . 6 1 1 A 73 73 PHE CB C 73 37.404 39.068 -1.664 1
1 865 . 6 1 1 A 73 73 PHE C C 73 180.123 178.150 1.973 1
1 866 . 6 1 1 A 74 74 ASP N N 74 122.136 119.485 2.651 1
1 867 . 6 1 1 A 74 74 ASP H H 74 9.262 8.638 0.624 1
1 868 . 6 1 1 A 74 74 ASP CA C 74 57.648 57.628 0.020 1
1 869 . 6 1 1 A 74 74 ASP HA H 74 4.550 4.402 0.148 1
1 870 . 6 1 1 A 74 74 ASP CB C 74 40.073 41.576 -1.503 1
1 873 . 6 1 1 A 74 74 ASP C C 74 179.818 178.875 0.943 1
1 874 . 6 1 1 A 75 75 VAL N N 75 122.521 119.162 3.359 1
1 875 . 6 1 1 A 75 75 VAL H H 75 9.080 8.471 0.609 1
1 876 . 6 1 1 A 75 75 VAL CA C 75 66.894 66.342 0.552 1
1 877 . 6 1 1 A 75 75 VAL HA H 75 3.611 3.569 0.042 1
1 878 . 6 1 1 A 75 75 VAL CB C 75 31.943 31.602 0.341 1
1 888 . 6 1 1 A 75 75 VAL C C 75 177.813 178.627 -0.814 1
1 889 . 6 1 1 A 76 76 ALA N N 76 121.109 122.039 -0.930 1
1 890 . 6 1 1 A 76 76 ALA H H 76 8.813 8.515 0.298 1
1 891 . 6 1 1 A 76 76 ALA CA C 76 55.181 55.122 0.059 1
1 892 . 6 1 1 A 76 76 ALA HA H 76 4.092 4.316 -0.224 1
1 893 . 6 1 1 A 76 76 ALA CB C 76 19.324 18.820 0.504 1
1 897 . 6 1 1 A 76 76 ALA C C 76 180.373 179.728 0.645 1
1 898 . 6 1 1 A 77 77 GLU N N 77 120.309 118.732 1.577 1
1 899 . 6 1 1 A 77 77 GLU H H 77 8.257 7.957 0.300 1
1 900 . 6 1 1 A 77 77 GLU CA C 77 59.818 58.614 1.204 1
1 901 . 6 1 1 A 77 77 GLU HA H 77 3.982 4.254 -0.272 1
1 902 . 6 1 1 A 77 77 GLU CB C 77 30.530 29.916 0.614 1
1 908 . 6 1 1 A 77 77 GLU C C 77 178.591 178.282 0.309 1
1 909 . 6 1 1 A 78 78 ARG N N 78 119.060 119.667 -0.607 1
1 910 . 6 1 1 A 78 78 ARG H H 78 8.325 8.050 0.275 1
1 911 . 6 1 1 A 78 78 ARG CA C 78 59.232 58.093 1.139 1
1 912 . 6 1 1 A 78 78 ARG HA H 78 4.048 4.281 -0.233 1
1 913 . 6 1 1 A 78 78 ARG CB C 78 31.462 30.486 0.976 1
1 924 . 6 1 1 A 78 78 ARG C C 78 178.327 177.681 0.646 1
1 925 . 6 1 1 A 79 79 GLU N N 79 114.012 117.468 -3.456 1
1 926 . 6 1 1 A 79 79 GLU H H 79 8.878 8.214 0.664 1
1 927 . 6 1 1 A 79 79 GLU CA C 79 56.599 57.937 -1.338 1
1 928 . 6 1 1 A 79 79 GLU HA H 79 4.329 4.343 -0.014 1
1 929 . 6 1 1 A 79 79 GLU CB C 79 28.771 30.666 -1.895 1
1 935 . 6 1 1 A 79 79 GLU C C 79 178.301 178.134 0.167 1
1 936 . 6 1 1 A 80 80 PHE N N 80 113.394 117.074 -3.680 1
1 937 . 6 1 1 A 80 80 PHE H H 80 6.906 7.438 -0.532 1
1 938 . 6 1 1 A 80 80 PHE CA C 80 53.518 57.946 -4.428 1
1 939 . 6 1 1 A 80 80 PHE HA H 80 5.246 4.563 0.683 1
1 940 . 6 1 1 A 80 80 PHE CB C 80 39.910 39.300 0.610 1
1 953 . 6 1 1 A 80 80 PHE C C 80 176.487 175.995 0.492 1
1 954 . 6 1 1 A 81 81 GLY N N 81 108.698 108.988 -0.290 1
1 955 . 6 1 1 A 81 81 GLY H H 81 7.352 8.133 -0.781 1
1 956 . 6 1 1 A 81 81 GLY CA C 81 46.520 46.693 -0.173 1
1 957 . 6 1 1 A 81 81 GLY HA2 H 81 3.975 4.010 -0.035 1
1 958 . 6 1 1 A 81 81 GLY HA3 H 81 3.975 4.017 -0.042 1
1 959 . 6 1 1 A 81 81 GLY C C 81 174.711 174.611 0.100 1
1 960 . 6 1 1 A 82 82 ILE N N 82 122.486 122.112 0.374 1
1 961 . 6 1 1 A 82 82 ILE H H 82 7.507 8.432 -0.925 1
1 962 . 6 1 1 A 82 82 ILE CA C 82 58.810 58.047 0.763 1
1 963 . 6 1 1 A 82 82 ILE HA H 82 4.285 4.380 -0.095 1
1 964 . 6 1 1 A 82 82 ILE CB C 82 39.376 39.039 0.337 1
1 977 . 6 1 1 A 82 82 ILE C C 82 172.836 174.915 -2.079 1
1 978 . 6 1 1 A 83 83 PRO CA C 83 60.989 62.002 -1.013 1
1 979 . 6 1 1 A 83 83 PRO HA H 83 4.589 4.724 -0.135 1
1 980 . 6 1 1 A 83 83 PRO CB C 83 31.107 32.364 -1.257 1
1 989 . 6 1 1 A 84 84 PRO CA C 84 62.860 62.501 0.359 1
1 990 . 6 1 1 A 84 84 PRO HA H 84 4.405 4.394 0.011 1
1 991 . 6 1 1 A 84 84 PRO CB C 84 32.638 32.201 0.437 1
1 1000 . 6 1 1 A 84 84 PRO C C 84 177.894 177.304 0.590 1
1 1001 . 6 1 1 A 85 85 VAL N N 85 114.062 116.863 -2.801 1
1 1002 . 6 1 1 A 85 85 VAL H H 85 6.621 7.791 -1.170 1
1 1003 . 6 1 1 A 85 85 VAL CA C 85 61.000 64.049 -3.049 1
1 1004 . 6 1 1 A 85 85 VAL HA H 85 4.080 3.917 0.163 1
1 1005 . 6 1 1 A 85 85 VAL CB C 85 32.725 32.138 0.587 1
1 1015 . 6 1 1 A 85 85 VAL C C 85 174.315 175.488 -1.173 1
1 1016 . 6 1 1 A 86 86 THR N N 86 114.774 114.246 0.528 1
1 1017 . 6 1 1 A 86 86 THR H H 86 6.827 7.494 -0.667 1
1 1018 . 6 1 1 A 86 86 THR CA C 86 59.336 59.267 0.069 1
1 1019 . 6 1 1 A 86 86 THR HA H 86 4.442 4.681 -0.239 1
1 1020 . 6 1 1 A 86 86 THR CB C 86 68.016 71.799 -3.783 1
1 1026 . 6 1 1 A 86 86 THR C C 86 172.724 172.806 -0.082 1
1 1027 . 6 1 1 A 87 87 THR N N 87 109.655 115.466 -5.811 1
1 1028 . 6 1 1 A 87 87 THR H H 87 8.313 8.546 -0.233 1
1 1029 . 6 1 1 A 87 87 THR CA C 87 59.870 60.298 -0.428 1
1 1030 . 6 1 1 A 87 87 THR HA H 87 5.000 4.697 0.303 1
1 1031 . 6 1 1 A 87 87 THR CB C 87 72.527 70.531 1.996 1
1 1037 . 6 1 1 A 87 87 THR C C 87 176.440 175.688 0.752 1
1 1038 . 6 1 1 A 88 88 GLY N N 88 110.531 110.697 -0.166 1
1 1039 . 6 1 1 A 88 88 GLY H H 88 9.655 9.024 0.631 1
1 1040 . 6 1 1 A 88 88 GLY CA C 88 49.124 47.675 1.449 1
1 1041 . 6 1 1 A 88 88 GLY HA2 H 88 4.115 3.975 0.140 1
1 1042 . 6 1 1 A 88 88 GLY HA3 H 88 3.755 4.076 -0.321 1
1 1043 . 6 1 1 A 88 88 GLY C C 88 175.154 175.945 -0.791 1
1 1044 . 6 1 1 A 89 89 LYS N N 89 119.606 121.759 -2.153 1
1 1045 . 6 1 1 A 89 89 LYS H H 89 8.542 8.138 0.404 1
1 1046 . 6 1 1 A 89 89 LYS CA C 89 59.687 59.553 0.134 1
1 1047 . 6 1 1 A 89 89 LYS HA H 89 4.030 3.977 0.053 1
1 1048 . 6 1 1 A 89 89 LYS CB C 89 32.733 32.231 0.502 1
1 1060 . 6 1 1 A 89 89 LYS C C 89 178.921 178.902 0.019 1
1 1061 . 6 1 1 A 90 90 GLU N N 90 118.992 119.462 -0.470 1
1 1062 . 6 1 1 A 90 90 GLU H H 90 7.610 7.703 -0.093 1
1 1063 . 6 1 1 A 90 90 GLU CA C 90 59.238 59.630 -0.392 1
1 1064 . 6 1 1 A 90 90 GLU HA H 90 4.008 4.073 -0.065 1
1 1065 . 6 1 1 A 90 90 GLU CB C 90 29.946 29.253 0.693 1
1 1071 . 6 1 1 A 90 90 GLU C C 90 179.366 178.500 0.866 1
1 1072 . 6 1 1 A 91 91 MET N N 91 120.109 118.928 1.181 1
1 1073 . 6 1 1 A 91 91 MET H H 91 8.468 8.439 0.029 1
1 1074 . 6 1 1 A 91 91 MET CA C 91 57.606 58.729 -1.123 1
1 1075 . 6 1 1 A 91 91 MET HA H 91 4.355 4.049 0.306 1
1 1076 . 6 1 1 A 91 91 MET CB C 91 32.364 32.158 0.206 1
1 1086 . 6 1 1 A 91 91 MET C C 91 177.168 178.191 -1.023 1
1 1087 . 6 1 1 A 92 92 ALA N N 92 115.912 121.973 -6.061 1
1 1088 . 6 1 1 A 92 92 ALA H H 92 7.876 7.882 -0.006 1
1 1089 . 6 1 1 A 92 92 ALA CA C 92 53.278 55.232 -1.954 1
1 1090 . 6 1 1 A 92 92 ALA HA H 92 4.316 4.240 0.076 1
1 1091 . 6 1 1 A 92 92 ALA CB C 92 20.275 18.452 1.823 1
1 1095 . 6 1 1 A 92 92 ALA C C 92 178.672 179.475 -0.803 1
1 1096 . 6 1 1 A 93 93 SER N N 93 111.760 113.495 -1.735 1
1 1097 . 6 1 1 A 93 93 SER H H 93 7.431 8.439 -1.008 1
1 1098 . 6 1 1 A 93 93 SER CA C 93 58.584 62.302 -3.718 1
1 1099 . 6 1 1 A 93 93 SER HA H 93 4.471 4.168 0.303 1
1 1100 . 6 1 1 A 93 93 SER CB C 93 64.582 62.867 1.715 1
1 1103 . 6 1 1 A 93 93 SER C C 93 173.576 175.886 -2.310 1
1 1104 . 6 1 1 A 94 94 ALA N N 94 123.381 121.550 1.831 1
1 1105 . 6 1 1 A 94 94 ALA H H 94 7.903 8.061 -0.158 1
1 1106 . 6 1 1 A 94 94 ALA CA C 94 52.760 53.392 -0.632 1
1 1107 . 6 1 1 A 94 94 ALA HA H 94 4.267 4.111 0.156 1
1 1108 . 6 1 1 A 94 94 ALA CB C 94 18.364 19.486 -1.122 1
1 1112 . 6 1 1 A 94 94 ALA C C 94 177.611 178.871 -1.260 1
1 1113 . 6 1 1 A 95 95 GLN N N 95 120.874 123.099 -2.225 1
1 1114 . 6 1 1 A 95 95 GLN H H 95 8.305 8.805 -0.500 1
1 1115 . 6 1 1 A 95 95 GLN CA C 95 56.821 58.750 -1.929 1
1 1116 . 6 1 1 A 95 95 GLN HA H 95 4.185 4.155 0.030 1
1 1117 . 6 1 1 A 95 95 GLN CB C 95 29.052 27.979 1.073 1
1 1126 . 6 1 1 A 95 95 GLN C C 95 175.975 175.411 0.564 1
1 1127 . 6 1 1 A 96 96 GLU N N 96 120.251 119.609 0.642 1
1 1128 . 6 1 1 A 96 96 GLU H H 96 8.402 7.965 0.437 1
1 1129 . 6 1 1 A 96 96 GLU CA C 96 54.378 53.247 1.131 1
1 1130 . 6 1 1 A 96 96 GLU HA H 96 4.537 4.746 -0.209 1
1 1131 . 6 1 1 A 96 96 GLU CB C 96 30.216 30.986 -0.770 1
1 1137 . 6 1 1 A 96 96 GLU C C 96 173.618 174.031 -0.413 1
1 1138 . 6 1 1 A 97 97 PRO CA C 97 62.763 62.337 0.426 1
1 1139 . 6 1 1 A 97 97 PRO HA H 97 4.362 4.619 -0.257 1
1 1140 . 6 1 1 A 97 97 PRO CB C 97 32.356 32.808 -0.452 1
1 1149 . 6 1 1 A 97 97 PRO C C 97 174.841 175.899 -1.058 1
1 1150 . 6 1 1 A 98 98 ASP N N 98 120.272 122.110 -1.838 1
1 1151 . 6 1 1 A 98 98 ASP H H 98 8.396 8.637 -0.241 1
1 1152 . 6 1 1 A 98 98 ASP CA C 98 54.555 53.444 1.111 1
1 1153 . 6 1 1 A 98 98 ASP HA H 98 4.409 4.654 -0.245 1
1 1154 . 6 1 1 A 98 98 ASP CB C 98 42.248 40.634 1.614 1
1 1157 . 6 1 1 A 98 98 ASP C C 98 176.253 176.707 -0.454 1
1 1158 . 6 1 1 A 99 99 LYS N N 99 126.808 127.479 -0.671 1
1 1159 . 6 1 1 A 99 99 LYS H H 99 8.454 8.640 -0.186 1
1 1160 . 6 1 1 A 99 99 LYS CA C 99 60.158 59.899 0.259 1
1 1161 . 6 1 1 A 99 99 LYS HA H 99 3.705 3.886 -0.181 1
1 1162 . 6 1 1 A 99 99 LYS CB C 99 32.832 32.205 0.627 1
1 1174 . 6 1 1 A 99 99 LYS C C 99 177.621 178.263 -0.642 1
1 1175 . 6 1 1 A 100 100 LEU N N 100 118.450 120.379 -1.929 1
1 1176 . 6 1 1 A 100 100 LEU H H 100 8.160 8.036 0.124 1
1 1177 . 6 1 1 A 100 100 LEU CA C 100 58.094 57.801 0.293 1
1 1178 . 6 1 1 A 100 100 LEU HA H 100 4.020 3.843 0.177 1
1 1179 . 6 1 1 A 100 100 LEU CB C 100 40.800 41.788 -0.988 1
1 1192 . 6 1 1 A 100 100 LEU C C 100 179.776 178.738 1.038 1
1 1193 . 6 1 1 A 101 101 SER N N 101 115.644 113.495 2.149 1
1 1194 . 6 1 1 A 101 101 SER H H 101 8.047 8.259 -0.212 1
1 1195 . 6 1 1 A 101 101 SER CA C 101 61.765 61.991 -0.226 1
1 1196 . 6 1 1 A 101 101 SER HA H 101 4.174 4.118 0.056 1
1 1197 . 6 1 1 A 101 101 SER CB C 101 62.609 62.918 -0.309 1
1 1200 . 6 1 1 A 101 101 SER C C 101 176.476 176.730 -0.254 1
1 1201 . 6 1 1 A 102 102 MET N N 102 120.653 119.756 0.897 1
1 1202 . 6 1 1 A 102 102 MET H H 102 8.027 7.798 0.229 1
1 1203 . 6 1 1 A 102 102 MET CA C 102 56.380 58.500 -2.120 1
1 1204 . 6 1 1 A 102 102 MET HA H 102 4.508 4.189 0.319 1
1 1205 . 6 1 1 A 102 102 MET CB C 102 30.731 33.308 -2.577 1
1 1215 . 6 1 1 A 102 102 MET C C 102 178.903 178.517 0.386 1
1 1216 . 6 1 1 A 103 103 VAL N N 103 119.836 119.497 0.339 1
1 1217 . 6 1 1 A 103 103 VAL H H 103 8.556 8.144 0.412 1
1 1218 . 6 1 1 A 103 103 VAL CA C 103 67.049 66.742 0.307 1
1 1219 . 6 1 1 A 103 103 VAL HA H 103 3.370 3.498 -0.128 1
1 1220 . 6 1 1 A 103 103 VAL CB C 103 31.583 31.642 -0.059 1
1 1230 . 6 1 1 A 103 103 VAL C C 103 179.225 177.671 1.554 1
1 1231 . 6 1 1 A 104 104 MET N N 104 120.390 118.726 1.664 1
1 1232 . 6 1 1 A 104 104 MET H H 104 8.112 8.736 -0.624 1
1 1233 . 6 1 1 A 104 104 MET CA C 104 58.991 58.381 0.610 1
1 1234 . 6 1 1 A 104 104 MET HA H 104 4.047 4.254 -0.207 1
1 1235 . 6 1 1 A 104 104 MET CB C 104 31.979 32.204 -0.225 1
1 1245 . 6 1 1 A 104 104 MET C C 104 178.210 178.217 -0.007 1
1 1246 . 6 1 1 A 105 105 TYR N N 105 120.956 122.310 -1.354 1
1 1247 . 6 1 1 A 105 105 TYR H H 105 8.185 7.637 0.548 1
1 1248 . 6 1 1 A 105 105 TYR CA C 105 61.449 61.712 -0.263 1
1 1249 . 6 1 1 A 105 105 TYR HA H 105 4.317 4.231 0.086 1
1 1250 . 6 1 1 A 105 105 TYR CB C 105 40.259 38.766 1.493 1
1 1261 . 6 1 1 A 105 105 TYR C C 105 177.805 177.389 0.416 1
1 1262 . 6 1 1 A 106 106 LEU N N 106 116.468 121.045 -4.577 1
1 1263 . 6 1 1 A 106 106 LEU H H 106 9.088 8.807 0.281 1
1 1264 . 6 1 1 A 106 106 LEU CA C 106 57.744 58.090 -0.346 1
1 1265 . 6 1 1 A 106 106 LEU HA H 106 4.139 4.118 0.021 1
1 1266 . 6 1 1 A 106 106 LEU CB C 106 42.285 41.312 0.973 1
1 1279 . 6 1 1 A 106 106 LEU C C 106 180.758 179.149 1.609 1
1 1280 . 6 1 1 A 107 107 SER N N 107 114.570 114.346 0.224 1
1 1281 . 6 1 1 A 107 107 SER H H 107 8.338 8.321 0.017 1
1 1282 . 6 1 1 A 107 107 SER CA C 107 63.030 62.049 0.981 1
1 1283 . 6 1 1 A 107 107 SER HA H 107 4.016 3.980 0.036 1
1 1284 . 6 1 1 A 107 107 SER CB C 107 62.866 62.603 0.263 1
1 1287 . 6 1 1 A 107 107 SER C C 107 175.377 176.493 -1.116 1
1 1288 . 6 1 1 A 108 108 LYS N N 108 120.221 121.124 -0.903 1
1 1289 . 6 1 1 A 108 108 LYS H H 108 7.522 7.673 -0.151 1
1 1290 . 6 1 1 A 108 108 LYS CA C 108 58.870 59.054 -0.184 1
1 1291 . 6 1 1 A 108 108 LYS HA H 108 3.910 3.828 0.082 1
1 1292 . 6 1 1 A 108 108 LYS CB C 108 31.719 31.863 -0.144 1
1 1304 . 6 1 1 A 108 108 LYS C C 108 179.587 179.429 0.158 1
1 1305 . 6 1 1 A 109 109 PHE N N 109 118.900 119.462 -0.562 1
1 1306 . 6 1 1 A 109 109 PHE H H 109 7.282 7.817 -0.535 1
1 1307 . 6 1 1 A 109 109 PHE CA C 109 61.501 60.332 1.169 1
1 1308 . 6 1 1 A 109 109 PHE HA H 109 3.550 4.237 -0.687 1
1 1309 . 6 1 1 A 109 109 PHE CB C 109 38.201 38.666 -0.465 1
1 1322 . 6 1 1 A 109 109 PHE C C 109 176.181 177.946 -1.765 1
1 1323 . 6 1 1 A 110 110 TYR N N 110 120.089 119.394 0.695 1
1 1324 . 6 1 1 A 110 110 TYR H H 110 7.417 8.176 -0.759 1
1 1325 . 6 1 1 A 110 110 TYR CA C 110 60.263 61.532 -1.269 1
1 1326 . 6 1 1 A 110 110 TYR HA H 110 2.584 2.701 -0.117 1
1 1327 . 6 1 1 A 110 110 TYR CB C 110 38.138 38.190 -0.052 1
1 1338 . 6 1 1 A 110 110 TYR C C 110 176.298 176.704 -0.406 1
1 1339 . 6 1 1 A 111 111 GLU N N 111 115.750 118.832 -3.082 1
1 1340 . 6 1 1 A 111 111 GLU H H 111 7.899 8.369 -0.470 1
1 1341 . 6 1 1 A 111 111 GLU CA C 111 58.712 59.179 -0.467 1
1 1342 . 6 1 1 A 111 111 GLU HA H 111 3.528 3.945 -0.417 1
1 1343 . 6 1 1 A 111 111 GLU CB C 111 29.429 29.346 0.083 1
1 1349 . 6 1 1 A 111 111 GLU C C 111 178.367 178.772 -0.405 1
1 1350 . 6 1 1 A 112 112 LEU N N 112 118.646 121.999 -3.353 1
1 1351 . 6 1 1 A 112 112 LEU H H 112 6.922 7.950 -1.028 1
1 1352 . 6 1 1 A 112 112 LEU CA C 112 57.107 58.421 -1.314 1
1 1353 . 6 1 1 A 112 112 LEU HA H 112 3.775 3.829 -0.054 1
1 1354 . 6 1 1 A 112 112 LEU CB C 112 42.499 41.559 0.940 1
1 1367 . 6 1 1 A 112 112 LEU C C 112 178.820 177.938 0.882 1
1 1368 . 6 1 1 A 113 113 PHE N N 113 114.884 116.612 -1.728 1
1 1369 . 6 1 1 A 113 113 PHE H H 113 7.723 8.597 -0.874 1
1 1370 . 6 1 1 A 113 113 PHE CA C 113 57.108 60.006 -2.898 1
1 1371 . 6 1 1 A 113 113 PHE HA H 113 4.495 4.253 0.242 1
1 1372 . 6 1 1 A 113 113 PHE CB C 113 38.324 38.493 -0.169 1
1 1385 . 6 1 1 A 113 113 PHE C C 113 177.445 177.032 0.413 1
1 1386 . 6 1 1 A 114 114 ARG N N 114 119.913 117.501 2.412 1
1 1387 . 6 1 1 A 114 114 ARG H H 114 7.840 7.882 -0.042 1
1 1388 . 6 1 1 A 114 114 ARG CA C 114 57.747 55.754 1.993 1
1 1389 . 6 1 1 A 114 114 ARG HA H 114 4.164 4.282 -0.118 1
1 1390 . 6 1 1 A 114 114 ARG CB C 114 28.994 29.652 -0.658 1
1 1399 . 6 1 1 A 114 114 ARG C C 114 177.051 176.868 0.183 1
1 1400 . 6 1 1 A 115 115 GLY N N 115 108.376 113.342 -4.966 1
1 1401 . 6 1 1 A 115 115 GLY H H 115 8.070 8.745 -0.675 1
1 1402 . 6 1 1 A 115 115 GLY CA C 115 45.201 47.389 -2.188 1
1 1403 . 6 1 1 A 115 115 GLY HA2 H 115 3.873 3.809 0.064 1
1 1404 . 6 1 1 A 115 115 GLY HA3 H 115 3.988 3.835 0.153 1
1 1405 . 6 1 1 A 115 115 GLY C C 115 173.987 174.743 -0.756 1
1 1406 . 6 1 1 A 116 116 THR N N 116 116.618 112.082 4.536 1
1 1407 . 6 1 1 A 116 116 THR H H 116 7.858 7.531 0.327 1
1 1408 . 6 1 1 A 116 116 THR CA C 116 60.032 60.759 -0.727 1
1 1409 . 6 1 1 A 116 116 THR HA H 116 4.620 4.448 0.172 1
1 1410 . 6 1 1 A 116 116 THR CB C 116 70.082 68.681 1.401 1
1 1416 . 6 1 1 A 116 116 THR C C 116 172.615 174.036 -1.421 1
1 1417 . 6 1 1 A 117 117 PRO CA C 117 63.086 62.672 0.414 1
1 1418 . 6 1 1 A 117 117 PRO HA H 117 4.451 4.605 -0.154 1
1 1419 . 6 1 1 A 117 117 PRO CB C 117 32.220 31.745 0.475 1
1 1428 . 6 1 1 A 117 117 PRO C C 117 176.812 177.207 -0.395 1
1 1429 . 6 1 1 A 118 118 LEU N N 118 122.695 119.335 3.360 1
1 1430 . 6 1 1 A 118 118 LEU H H 118 8.424 8.203 0.221 1
1 1431 . 6 1 1 A 118 118 LEU CA C 118 55.266 54.447 0.819 1
1 1432 . 6 1 1 A 118 118 LEU HA H 118 4.276 4.333 -0.057 1
1 1433 . 6 1 1 A 118 118 LEU CB C 118 42.339 42.810 -0.471 1
1 1446 . 6 1 1 A 118 118 LEU C C 118 177.027 176.412 0.615 1
1 1447 . 6 1 1 A 119 119 ARG N N 119 122.979 121.350 1.629 1
1 1448 . 6 1 1 A 119 119 ARG H H 119 8.250 8.558 -0.308 1
1 1449 . 6 1 1 A 119 119 ARG CA C 119 53.688 53.611 0.077 1
1 1450 . 6 1 1 A 119 119 ARG HA H 119 4.644 4.627 0.017 1
1 1451 . 6 1 1 A 119 119 ARG CB C 119 30.469 30.442 0.027 1
1 1460 . 6 1 1 A 119 119 ARG C C 119 174.019 174.444 -0.425 1
1 1461 . 6 1 1 A 120 120 PRO CA C 120 63.366 62.581 0.785 1
1 1462 . 6 1 1 A 120 120 PRO HA H 120 4.440 4.760 -0.320 1
1 1463 . 6 1 1 A 120 120 PRO CB C 120 31.958 32.683 -0.725 1
1 1472 . 6 1 1 A 120 120 PRO C C 120 176.104 175.667 0.437 1
1 1 . 7 1 1 A 6 6 SER CA C 6 58.867 56.962 1.905 1
1 2 . 7 1 1 A 6 6 SER HA H 6 4.432 5.094 -0.662 1
1 3 . 7 1 1 A 6 6 SER CB C 6 63.603 66.253 -2.650 1
1 6 . 7 1 1 A 6 6 SER C C 6 175.018 173.159 1.859 1
1 7 . 7 1 1 A 7 7 GLY N N 7 110.530 108.672 1.858 1
1 8 . 7 1 1 A 7 7 GLY H H 7 8.382 8.364 0.018 1
1 9 . 7 1 1 A 7 7 GLY CA C 7 45.311 43.793 1.518 1
1 10 . 7 1 1 A 7 7 GLY HA2 H 7 3.922 4.113 -0.191 1
1 11 . 7 1 1 A 7 7 GLY HA3 H 7 3.922 4.116 -0.194 1
1 12 . 7 1 1 A 7 7 GLY C C 7 173.740 172.255 1.485 1
1 13 . 7 1 1 A 8 8 ASP N N 8 120.471 120.943 -0.472 1
1 14 . 7 1 1 A 8 8 ASP H H 8 8.121 8.344 -0.223 1
1 15 . 7 1 1 A 8 8 ASP CA C 8 54.214 53.298 0.916 1
1 16 . 7 1 1 A 8 8 ASP HA H 8 4.560 5.251 -0.691 1
1 17 . 7 1 1 A 8 8 ASP CB C 8 41.172 42.614 -1.442 1
1 20 . 7 1 1 A 8 8 ASP C C 8 176.082 175.408 0.674 1
1 21 . 7 1 1 A 9 9 ILE N N 9 121.785 124.758 -2.973 1
1 22 . 7 1 1 A 9 9 ILE H H 9 8.115 9.043 -0.928 1
1 23 . 7 1 1 A 9 9 ILE CA C 9 60.327 60.050 0.277 1
1 24 . 7 1 1 A 9 9 ILE HA H 9 4.083 4.566 -0.483 1
1 25 . 7 1 1 A 9 9 ILE CB C 9 38.394 39.367 -0.973 1
1 38 . 7 1 1 A 9 9 ILE C C 9 175.579 176.323 -0.744 1
1 39 . 7 1 1 A 10 10 ARG N N 10 125.977 125.117 0.860 1
1 40 . 7 1 1 A 10 10 ARG H H 10 8.319 8.911 -0.592 1
1 41 . 7 1 1 A 10 10 ARG CA C 10 54.661 60.483 -5.822 1
1 42 . 7 1 1 A 10 10 ARG HA H 10 4.493 4.075 0.418 1
1 43 . 7 1 1 A 10 10 ARG CB C 10 29.730 30.298 -0.568 1
1 52 . 7 1 1 A 10 10 ARG C C 10 175.511 176.339 -0.828 1
1 53 . 7 1 1 A 11 11 PRO CA C 11 65.595 66.352 -0.757 1
1 54 . 7 1 1 A 11 11 PRO HA H 11 4.064 4.264 -0.200 1
1 55 . 7 1 1 A 11 11 PRO CB C 11 31.690 30.637 1.053 1
1 64 . 7 1 1 A 12 12 SER CA C 12 60.656 61.752 -1.096 1
1 65 . 7 1 1 A 12 12 SER HA H 12 4.194 4.151 0.043 1
1 66 . 7 1 1 A 12 12 SER CB C 12 62.321 63.032 -0.711 1
1 69 . 7 1 1 A 13 13 LYS H H 13 7.510 8.004 -0.494 1
1 70 . 7 1 1 A 13 13 LYS CA C 13 58.585 59.566 -0.981 1
1 71 . 7 1 1 A 13 13 LYS HA H 13 4.186 4.034 0.152 1
1 72 . 7 1 1 A 13 13 LYS CB C 13 32.274 32.572 -0.298 1
1 84 . 7 1 1 A 13 13 LYS C C 13 179.028 178.700 0.328 1
1 85 . 7 1 1 A 14 14 LEU N N 14 121.315 121.921 -0.606 1
1 86 . 7 1 1 A 14 14 LEU H H 14 7.968 8.044 -0.076 1
1 87 . 7 1 1 A 14 14 LEU CA C 14 57.648 58.259 -0.611 1
1 88 . 7 1 1 A 14 14 LEU HA H 14 3.889 3.849 0.040 1
1 89 . 7 1 1 A 14 14 LEU CB C 14 42.171 41.746 0.425 1
1 102 . 7 1 1 A 14 14 LEU C C 14 178.689 178.590 0.099 1
1 103 . 7 1 1 A 15 15 LEU N N 15 120.526 120.001 0.525 1
1 104 . 7 1 1 A 15 15 LEU H H 15 8.546 8.281 0.265 1
1 105 . 7 1 1 A 15 15 LEU CA C 15 59.227 58.521 0.706 1
1 106 . 7 1 1 A 15 15 LEU HA H 15 4.038 4.123 -0.085 1
1 107 . 7 1 1 A 15 15 LEU CB C 15 40.993 41.782 -0.789 1
1 120 . 7 1 1 A 15 15 LEU C C 15 178.020 178.881 -0.861 1
1 121 . 7 1 1 A 16 16 THR N N 16 114.667 113.917 0.750 1
1 122 . 7 1 1 A 16 16 THR H H 16 7.945 7.963 -0.018 1
1 123 . 7 1 1 A 16 16 THR CA C 16 66.778 66.679 0.099 1
1 124 . 7 1 1 A 16 16 THR HA H 16 4.162 3.953 0.209 1
1 125 . 7 1 1 A 16 16 THR CB C 16 68.914 68.589 0.325 1
1 131 . 7 1 1 A 16 16 THR C C 16 176.419 176.634 -0.215 1
1 132 . 7 1 1 A 17 17 TRP N N 17 122.548 121.219 1.329 1
1 133 . 7 1 1 A 17 17 TRP H H 17 8.242 8.230 0.012 1
1 134 . 7 1 1 A 17 17 TRP CA C 17 63.006 61.577 1.429 1
1 135 . 7 1 1 A 17 17 TRP HA H 17 4.442 4.261 0.181 1
1 136 . 7 1 1 A 17 17 TRP CB C 17 28.530 29.960 -1.430 1
1 151 . 7 1 1 A 17 17 TRP C C 17 178.678 177.646 1.032 1
1 152 . 7 1 1 A 18 18 CYS N N 18 117.202 116.874 0.328 1
1 153 . 7 1 1 A 18 18 CYS H H 18 8.993 8.204 0.789 1
1 154 . 7 1 1 A 18 18 CYS CA C 18 64.830 63.640 1.190 1
1 155 . 7 1 1 A 18 18 CYS HA H 18 3.855 3.840 0.015 1
1 156 . 7 1 1 A 18 18 CYS CB C 18 27.945 27.271 0.674 1
1 159 . 7 1 1 A 18 18 CYS C C 18 178.411 177.231 1.180 1
1 160 . 7 1 1 A 19 19 GLN N N 19 120.296 119.795 0.501 1
1 161 . 7 1 1 A 19 19 GLN H H 19 8.696 8.576 0.120 1
1 162 . 7 1 1 A 19 19 GLN CA C 19 59.705 59.305 0.400 1
1 163 . 7 1 1 A 19 19 GLN HA H 19 3.654 3.993 -0.339 1
1 164 . 7 1 1 A 19 19 GLN CB C 19 27.820 28.062 -0.242 1
1 173 . 7 1 1 A 19 19 GLN C C 19 177.957 178.815 -0.858 1
1 174 . 7 1 1 A 20 20 GLN N N 20 119.247 118.693 0.554 1
1 175 . 7 1 1 A 20 20 GLN H H 20 8.306 8.373 -0.067 1
1 176 . 7 1 1 A 20 20 GLN CA C 20 58.838 59.052 -0.214 1
1 177 . 7 1 1 A 20 20 GLN HA H 20 4.016 3.905 0.111 1
1 178 . 7 1 1 A 20 20 GLN CB C 20 28.000 28.133 -0.133 1
1 187 . 7 1 1 A 20 20 GLN C C 20 179.476 178.492 0.984 1
1 188 . 7 1 1 A 21 21 GLN N N 21 113.337 118.764 -5.427 1
1 189 . 7 1 1 A 21 21 GLN H H 21 7.999 7.677 0.322 1
1 190 . 7 1 1 A 21 21 GLN CA C 21 55.909 58.790 -2.881 1
1 191 . 7 1 1 A 21 21 GLN HA H 21 4.043 3.900 0.143 1
1 192 . 7 1 1 A 21 21 GLN CB C 21 27.676 27.944 -0.268 1
1 201 . 7 1 1 A 21 21 GLN C C 21 177.394 177.416 -0.022 1
1 202 . 7 1 1 A 22 22 THR N N 22 103.485 107.982 -4.497 1
1 203 . 7 1 1 A 22 22 THR H H 22 7.119 7.533 -0.414 1
1 204 . 7 1 1 A 22 22 THR CA C 22 61.272 61.784 -0.512 1
1 205 . 7 1 1 A 22 22 THR HA H 22 4.092 4.307 -0.215 1
1 206 . 7 1 1 A 22 22 THR CB C 22 69.448 69.131 0.317 1
1 212 . 7 1 1 A 22 22 THR C C 22 174.644 173.802 0.842 1
1 213 . 7 1 1 A 23 23 GLU N N 23 125.366 123.622 1.744 1
1 214 . 7 1 1 A 23 23 GLU H H 23 6.949 7.630 -0.681 1
1 215 . 7 1 1 A 23 23 GLU CA C 23 58.389 57.296 1.093 1
1 216 . 7 1 1 A 23 23 GLU HA H 23 3.999 4.269 -0.270 1
1 217 . 7 1 1 A 23 23 GLU CB C 23 29.683 30.302 -0.619 1
1 223 . 7 1 1 A 23 23 GLU C C 23 177.061 177.325 -0.264 1
1 224 . 7 1 1 A 24 24 GLY N N 24 112.717 114.865 -2.148 1
1 225 . 7 1 1 A 24 24 GLY H H 24 8.732 8.927 -0.195 1
1 226 . 7 1 1 A 24 24 GLY CA C 24 45.326 45.079 0.247 1
1 227 . 7 1 1 A 24 24 GLY HA2 H 24 3.988 3.924 0.064 1
1 228 . 7 1 1 A 24 24 GLY HA3 H 24 3.538 3.949 -0.411 1
1 229 . 7 1 1 A 24 24 GLY C C 24 174.531 174.064 0.467 1
1 230 . 7 1 1 A 25 25 TYR N N 25 120.189 119.858 0.331 1
1 231 . 7 1 1 A 25 25 TYR H H 25 7.488 7.883 -0.395 1
1 232 . 7 1 1 A 25 25 TYR CA C 25 59.028 58.429 0.599 1
1 233 . 7 1 1 A 25 25 TYR HA H 25 3.947 4.233 -0.286 1
1 234 . 7 1 1 A 25 25 TYR CB C 25 37.202 38.817 -1.615 1
1 245 . 7 1 1 A 25 25 TYR C C 25 176.354 175.355 0.999 1
1 246 . 7 1 1 A 26 26 GLN N N 26 125.301 122.593 2.708 1
1 247 . 7 1 1 A 26 26 GLN H H 26 8.877 8.501 0.376 1
1 248 . 7 1 1 A 26 26 GLN CA C 26 56.923 55.830 1.093 1
1 249 . 7 1 1 A 26 26 GLN HA H 26 3.866 4.419 -0.553 1
1 250 . 7 1 1 A 26 26 GLN CB C 26 28.808 29.497 -0.689 1
1 259 . 7 1 1 A 26 26 GLN C C 26 175.582 176.133 -0.551 1
1 260 . 7 1 1 A 27 27 HIS N N 27 111.738 115.995 -4.257 1
1 261 . 7 1 1 A 27 27 HIS H H 27 8.581 8.679 -0.098 1
1 262 . 7 1 1 A 27 27 HIS CA C 27 56.937 56.839 0.098 1
1 263 . 7 1 1 A 27 27 HIS HA H 27 4.174 4.051 0.123 1
1 264 . 7 1 1 A 27 27 HIS CB C 27 26.839 26.995 -0.156 1
1 271 . 7 1 1 A 27 27 HIS C C 27 172.979 174.156 -1.177 1
1 272 . 7 1 1 A 28 28 VAL N N 28 118.229 118.871 -0.642 1
1 273 . 7 1 1 A 28 28 VAL H H 28 7.377 7.634 -0.257 1
1 274 . 7 1 1 A 28 28 VAL CA C 28 61.927 61.696 0.231 1
1 275 . 7 1 1 A 28 28 VAL HA H 28 3.922 4.204 -0.282 1
1 276 . 7 1 1 A 28 28 VAL CB C 28 33.373 32.696 0.677 1
1 286 . 7 1 1 A 28 28 VAL C C 28 174.687 173.413 1.274 1
1 287 . 7 1 1 A 29 29 ASN N N 29 125.832 128.028 -2.196 1
1 288 . 7 1 1 A 29 29 ASN H H 29 8.604 9.146 -0.542 1
1 289 . 7 1 1 A 29 29 ASN CA C 29 52.651 51.852 0.799 1
1 290 . 7 1 1 A 29 29 ASN HA H 29 4.682 5.300 -0.618 1
1 291 . 7 1 1 A 29 29 ASN CB C 29 39.124 39.569 -0.445 1
1 297 . 7 1 1 A 29 29 ASN C C 29 173.380 173.779 -0.399 1
1 298 . 7 1 1 A 30 30 VAL N N 30 125.146 126.672 -1.526 1
1 299 . 7 1 1 A 30 30 VAL H H 30 9.203 8.903 0.300 1
1 300 . 7 1 1 A 30 30 VAL CA C 30 63.838 62.919 0.919 1
1 301 . 7 1 1 A 30 30 VAL HA H 30 3.699 4.026 -0.327 1
1 302 . 7 1 1 A 30 30 VAL CB C 30 31.136 30.808 0.328 1
1 312 . 7 1 1 A 30 30 VAL C C 30 176.046 176.602 -0.556 1
1 313 . 7 1 1 A 31 31 THR N N 31 118.952 118.349 0.603 1
1 314 . 7 1 1 A 31 31 THR H H 31 8.396 8.597 -0.201 1
1 315 . 7 1 1 A 31 31 THR CA C 31 60.985 62.021 -1.036 1
1 316 . 7 1 1 A 31 31 THR HA H 31 4.316 4.610 -0.294 1
1 317 . 7 1 1 A 31 31 THR CB C 31 70.087 70.064 0.023 1
1 323 . 7 1 1 A 31 31 THR C C 31 173.296 174.677 -1.381 1
1 324 . 7 1 1 A 32 32 ASP N N 32 120.757 120.389 0.368 1
1 325 . 7 1 1 A 32 32 ASP H H 32 8.078 7.442 0.636 1
1 326 . 7 1 1 A 32 32 ASP CA C 32 53.069 52.884 0.185 1
1 327 . 7 1 1 A 32 32 ASP HA H 32 4.536 5.143 -0.607 1
1 328 . 7 1 1 A 32 32 ASP CB C 32 41.527 44.431 -2.904 1
1 331 . 7 1 1 A 32 32 ASP C C 32 174.931 175.477 -0.546 1
1 332 . 7 1 1 A 33 33 LEU N N 33 117.024 120.437 -3.413 1
1 333 . 7 1 1 A 33 33 LEU H H 33 8.733 8.524 0.209 1
1 334 . 7 1 1 A 33 33 LEU CA C 33 54.453 54.350 0.103 1
1 335 . 7 1 1 A 33 33 LEU HA H 33 4.834 4.959 -0.125 1
1 336 . 7 1 1 A 33 33 LEU CB C 33 41.867 42.052 -0.185 1
1 349 . 7 1 1 A 33 33 LEU C C 33 174.039 177.080 -3.041 1
1 350 . 7 1 1 A 34 34 THR N N 34 103.873 112.305 -8.432 1
1 351 . 7 1 1 A 34 34 THR H H 34 7.900 7.854 0.046 1
1 352 . 7 1 1 A 34 34 THR CA C 34 60.434 62.606 -2.172 1
1 353 . 7 1 1 A 34 34 THR HA H 34 4.519 4.627 -0.108 1
1 354 . 7 1 1 A 34 34 THR CB C 34 70.237 70.044 0.193 1
1 360 . 7 1 1 A 34 34 THR C C 34 175.954 175.772 0.182 1
1 361 . 7 1 1 A 35 35 THR N N 35 118.103 114.089 4.014 1
1 362 . 7 1 1 A 35 35 THR H H 35 9.363 8.291 1.072 1
1 363 . 7 1 1 A 35 35 THR CA C 35 66.422 64.267 2.155 1
1 364 . 7 1 1 A 35 35 THR HA H 35 3.981 4.318 -0.337 1
1 365 . 7 1 1 A 35 35 THR CB C 35 68.720 69.074 -0.354 1
1 371 . 7 1 1 A 35 35 THR C C 35 177.778 176.750 1.028 1
1 372 . 7 1 1 A 36 36 SER N N 36 120.417 116.320 4.097 1
1 373 . 7 1 1 A 36 36 SER H H 36 10.544 8.266 2.278 1
1 374 . 7 1 1 A 36 36 SER CA C 36 61.076 62.324 -1.248 1
1 375 . 7 1 1 A 36 36 SER HA H 36 4.395 4.210 0.185 1
1 376 . 7 1 1 A 36 36 SER CB C 36 63.485 63.152 0.333 1
1 379 . 7 1 1 A 36 36 SER C C 36 173.956 175.406 -1.450 1
1 380 . 7 1 1 A 37 37 TRP N N 37 121.387 118.894 2.493 1
1 381 . 7 1 1 A 37 37 TRP H H 37 8.126 8.130 -0.004 1
1 382 . 7 1 1 A 37 37 TRP CA C 37 57.689 56.441 1.248 1
1 383 . 7 1 1 A 37 37 TRP HA H 37 4.340 5.094 -0.754 1
1 384 . 7 1 1 A 37 37 TRP CB C 37 28.915 29.035 -0.120 1
1 399 . 7 1 1 A 37 37 TRP C C 37 176.751 176.562 0.189 1
1 400 . 7 1 1 A 38 38 ARG N N 38 121.787 119.281 2.506 1
1 401 . 7 1 1 A 38 38 ARG H H 38 7.473 8.331 -0.858 1
1 402 . 7 1 1 A 38 38 ARG CA C 38 60.250 58.808 1.442 1
1 403 . 7 1 1 A 38 38 ARG HA H 38 4.065 4.207 -0.142 1
1 404 . 7 1 1 A 38 38 ARG CB C 38 30.807 30.250 0.557 1
1 415 . 7 1 1 A 38 38 ARG C C 38 177.636 178.135 -0.499 1
1 416 . 7 1 1 A 39 39 SER N N 39 110.340 110.752 -0.412 1
1 417 . 7 1 1 A 39 39 SER H H 39 8.665 7.979 0.686 1
1 418 . 7 1 1 A 39 39 SER CA C 39 59.336 58.951 0.385 1
1 419 . 7 1 1 A 39 39 SER HA H 39 4.349 4.538 -0.189 1
1 420 . 7 1 1 A 39 39 SER CB C 39 64.907 64.550 0.357 1
1 423 . 7 1 1 A 39 39 SER C C 39 174.768 175.120 -0.352 1
1 424 . 7 1 1 A 40 40 GLY N N 40 109.467 109.517 -0.050 1
1 425 . 7 1 1 A 40 40 GLY H H 40 7.549 7.765 -0.216 1
1 426 . 7 1 1 A 40 40 GLY CA C 40 46.347 45.407 0.940 1
1 427 . 7 1 1 A 40 40 GLY HA2 H 40 3.875 3.840 0.035 1
1 428 . 7 1 1 A 40 40 GLY HA3 H 40 3.915 3.884 0.031 1
1 429 . 7 1 1 A 40 40 GLY C C 40 173.725 175.961 -2.236 1
1 430 . 7 1 1 A 41 41 LEU N N 41 117.562 121.982 -4.420 1
1 431 . 7 1 1 A 41 41 LEU H H 41 7.287 8.250 -0.963 1
1 432 . 7 1 1 A 41 41 LEU CA C 41 57.482 57.725 -0.243 1
1 433 . 7 1 1 A 41 41 LEU HA H 41 3.882 3.836 0.046 1
1 434 . 7 1 1 A 41 41 LEU CB C 41 42.615 41.623 0.992 1
1 447 . 7 1 1 A 41 41 LEU C C 41 178.159 178.680 -0.521 1
1 448 . 7 1 1 A 42 42 ALA N N 42 121.758 121.078 0.680 1
1 449 . 7 1 1 A 42 42 ALA H H 42 8.506 8.131 0.375 1
1 450 . 7 1 1 A 42 42 ALA CA C 42 55.694 55.005 0.689 1
1 451 . 7 1 1 A 42 42 ALA HA H 42 3.582 3.688 -0.106 1
1 452 . 7 1 1 A 42 42 ALA CB C 42 17.039 17.811 -0.772 1
1 456 . 7 1 1 A 42 42 ALA C C 42 178.076 179.285 -1.209 1
1 457 . 7 1 1 A 43 43 LEU N N 43 118.332 119.079 -0.747 1
1 458 . 7 1 1 A 43 43 LEU H H 43 8.933 7.794 1.139 1
1 459 . 7 1 1 A 43 43 LEU CA C 43 57.425 57.926 -0.501 1
1 460 . 7 1 1 A 43 43 LEU HA H 43 4.308 4.066 0.242 1
1 461 . 7 1 1 A 43 43 LEU CB C 43 42.068 42.009 0.059 1
1 474 . 7 1 1 A 43 43 LEU C C 43 179.198 178.429 0.769 1
1 475 . 7 1 1 A 44 44 CYS N N 44 115.098 117.109 -2.011 1
1 476 . 7 1 1 A 44 44 CYS H H 44 7.607 8.300 -0.693 1
1 477 . 7 1 1 A 44 44 CYS CA C 44 65.664 62.645 3.019 1
1 478 . 7 1 1 A 44 44 CYS HA H 44 4.035 4.096 -0.061 1
1 479 . 7 1 1 A 44 44 CYS CB C 44 27.516 26.810 0.706 1
1 482 . 7 1 1 A 44 44 CYS C C 44 176.222 177.487 -1.265 1
1 483 . 7 1 1 A 45 45 ALA N N 45 121.778 121.580 0.198 1
1 484 . 7 1 1 A 45 45 ALA H H 45 8.435 7.928 0.507 1
1 485 . 7 1 1 A 45 45 ALA CA C 45 55.306 54.716 0.590 1
1 486 . 7 1 1 A 45 45 ALA HA H 45 3.184 3.870 -0.686 1
1 487 . 7 1 1 A 45 45 ALA CB C 45 17.395 17.425 -0.030 1
1 491 . 7 1 1 A 45 45 ALA C C 45 177.510 179.779 -2.269 1
1 492 . 7 1 1 A 46 46 ILE N N 46 116.463 118.119 -1.656 1
1 493 . 7 1 1 A 46 46 ILE H H 46 7.527 7.961 -0.434 1
1 494 . 7 1 1 A 46 46 ILE CA C 46 65.137 65.195 -0.058 1
1 495 . 7 1 1 A 46 46 ILE HA H 46 3.267 3.637 -0.370 1
1 496 . 7 1 1 A 46 46 ILE CB C 46 37.084 38.082 -0.998 1
1 509 . 7 1 1 A 46 46 ILE C C 46 176.744 178.515 -1.771 1
1 510 . 7 1 1 A 47 47 ILE N N 47 115.676 119.689 -4.013 1
1 511 . 7 1 1 A 47 47 ILE H H 47 7.786 7.910 -0.124 1
1 512 . 7 1 1 A 47 47 ILE CA C 47 66.948 65.529 1.419 1
1 513 . 7 1 1 A 47 47 ILE HA H 47 3.754 3.864 -0.110 1
1 514 . 7 1 1 A 47 47 ILE CB C 47 38.335 37.977 0.358 1
1 527 . 7 1 1 A 47 47 ILE C C 47 176.853 178.427 -1.574 1
1 528 . 7 1 1 A 48 48 HIS N N 48 120.066 119.217 0.849 1
1 529 . 7 1 1 A 48 48 HIS H H 48 8.569 8.822 -0.253 1
1 530 . 7 1 1 A 48 48 HIS CA C 48 60.767 60.391 0.376 1
1 531 . 7 1 1 A 48 48 HIS HA H 48 3.918 4.452 -0.534 1
1 532 . 7 1 1 A 48 48 HIS CB C 48 31.245 29.573 1.672 1
1 539 . 7 1 1 A 48 48 HIS C C 48 175.841 177.018 -1.177 1
1 540 . 7 1 1 A 49 49 ARG N N 49 118.781 117.948 0.833 1
1 541 . 7 1 1 A 49 49 ARG H H 49 8.572 8.733 -0.161 1
1 542 . 7 1 1 A 49 49 ARG CA C 49 58.152 59.323 -1.171 1
1 543 . 7 1 1 A 49 49 ARG HA H 49 3.680 4.143 -0.463 1
1 544 . 7 1 1 A 49 49 ARG CB C 49 28.454 30.161 -1.707 1
1 555 . 7 1 1 A 49 49 ARG C C 49 177.830 179.097 -1.267 1
1 556 . 7 1 1 A 50 50 PHE N N 50 113.909 117.800 -3.891 1
1 557 . 7 1 1 A 50 50 PHE H H 50 6.900 7.809 -0.909 1
1 558 . 7 1 1 A 50 50 PHE CA C 50 59.885 59.650 0.235 1
1 559 . 7 1 1 A 50 50 PHE HA H 50 4.281 4.396 -0.115 1
1 560 . 7 1 1 A 50 50 PHE CB C 50 41.527 39.963 1.564 1
1 573 . 7 1 1 A 50 50 PHE C C 50 176.867 176.087 0.780 1
1 574 . 7 1 1 A 51 51 ARG N N 51 120.652 118.597 2.055 1
1 575 . 7 1 1 A 51 51 ARG H H 51 9.059 8.547 0.512 1
1 576 . 7 1 1 A 51 51 ARG CA C 51 51.499 53.772 -2.273 1
1 577 . 7 1 1 A 51 51 ARG HA H 51 4.942 4.809 0.133 1
1 578 . 7 1 1 A 51 51 ARG CB C 51 30.307 30.569 -0.262 1
1 589 . 7 1 1 A 51 51 ARG C C 51 172.670 174.618 -1.948 1
1 590 . 7 1 1 A 52 52 PRO CA C 52 64.948 64.010 0.938 1
1 591 . 7 1 1 A 52 52 PRO HA H 52 4.343 3.988 0.355 1
1 592 . 7 1 1 A 52 52 PRO CB C 52 31.091 31.324 -0.233 1
1 601 . 7 1 1 A 52 52 PRO C C 52 177.406 177.796 -0.390 1
1 602 . 7 1 1 A 53 53 GLU N N 53 118.219 115.892 2.327 1
1 603 . 7 1 1 A 53 53 GLU H H 53 9.784 8.868 0.916 1
1 604 . 7 1 1 A 53 53 GLU CA C 53 57.285 59.059 -1.774 1
1 605 . 7 1 1 A 53 53 GLU HA H 53 4.322 4.127 0.195 1
1 606 . 7 1 1 A 53 53 GLU CB C 53 27.771 29.125 -1.354 1
1 612 . 7 1 1 A 53 53 GLU C C 53 177.957 179.366 -1.409 1
1 613 . 7 1 1 A 54 54 LEU N N 54 119.316 119.209 0.107 1
1 614 . 7 1 1 A 54 54 LEU H H 54 8.212 7.690 0.522 1
1 615 . 7 1 1 A 54 54 LEU CA C 54 55.943 57.618 -1.675 1
1 616 . 7 1 1 A 54 54 LEU HA H 54 4.337 4.110 0.227 1
1 617 . 7 1 1 A 54 54 LEU CB C 54 43.122 42.161 0.961 1
1 630 . 7 1 1 A 54 54 LEU C C 54 177.159 177.067 0.092 1
1 631 . 7 1 1 A 55 55 ILE N N 55 115.493 118.317 -2.824 1
1 632 . 7 1 1 A 55 55 ILE H H 55 6.990 8.019 -1.029 1
1 633 . 7 1 1 A 55 55 ILE CA C 55 59.645 60.165 -0.520 1
1 634 . 7 1 1 A 55 55 ILE HA H 55 4.230 4.715 -0.485 1
1 635 . 7 1 1 A 55 55 ILE CB C 55 43.159 41.219 1.940 1
1 648 . 7 1 1 A 55 55 ILE C C 55 173.302 174.382 -1.080 1
1 649 . 7 1 1 A 56 56 ASN N N 56 124.568 124.554 0.014 1
1 650 . 7 1 1 A 56 56 ASN H H 56 8.984 8.694 0.290 1
1 651 . 7 1 1 A 56 56 ASN CA C 56 51.198 51.934 -0.736 1
1 652 . 7 1 1 A 56 56 ASN HA H 56 5.100 5.450 -0.350 1
1 653 . 7 1 1 A 56 56 ASN CB C 56 36.452 38.940 -2.488 1
1 659 . 7 1 1 A 56 56 ASN C C 56 175.902 175.472 0.430 1
1 660 . 7 1 1 A 57 57 PHE N N 57 126.548 123.256 3.292 1
1 661 . 7 1 1 A 57 57 PHE H H 57 7.219 8.957 -1.738 1
1 662 . 7 1 1 A 57 57 PHE CA C 57 62.399 62.245 0.154 1
1 663 . 7 1 1 A 57 57 PHE HA H 57 3.514 3.934 -0.420 1
1 664 . 7 1 1 A 57 57 PHE CB C 57 39.553 39.687 -0.134 1
1 677 . 7 1 1 A 57 57 PHE C C 57 176.597 177.019 -0.422 1
1 678 . 7 1 1 A 58 58 ASP N N 58 116.755 119.825 -3.070 1
1 679 . 7 1 1 A 58 58 ASP H H 58 8.691 8.386 0.305 1
1 680 . 7 1 1 A 58 58 ASP CA C 58 56.635 57.371 -0.736 1
1 681 . 7 1 1 A 58 58 ASP HA H 58 4.324 4.451 -0.127 1
1 682 . 7 1 1 A 58 58 ASP CB C 58 40.262 41.356 -1.094 1
1 685 . 7 1 1 A 58 58 ASP C C 58 176.562 178.193 -1.631 1
1 686 . 7 1 1 A 59 59 SER N N 59 112.320 112.859 -0.539 1
1 687 . 7 1 1 A 59 59 SER H H 59 7.412 7.574 -0.162 1
1 688 . 7 1 1 A 59 59 SER CA C 59 58.740 61.866 -3.126 1
1 689 . 7 1 1 A 59 59 SER HA H 59 4.365 4.415 -0.050 1
1 690 . 7 1 1 A 59 59 SER CB C 59 64.598 63.307 1.291 1
1 693 . 7 1 1 A 59 59 SER C C 59 174.309 175.422 -1.113 1
1 694 . 7 1 1 A 60 60 LEU N N 60 121.693 121.465 0.228 1
1 695 . 7 1 1 A 60 60 LEU H H 60 7.176 7.310 -0.134 1
1 696 . 7 1 1 A 60 60 LEU CA C 60 54.593 55.616 -1.023 1
1 697 . 7 1 1 A 60 60 LEU HA H 60 4.196 3.988 0.208 1
1 698 . 7 1 1 A 60 60 LEU CB C 60 40.943 41.895 -0.952 1
1 711 . 7 1 1 A 60 60 LEU C C 60 176.774 176.128 0.646 1
1 712 . 7 1 1 A 61 61 ASN N N 61 121.648 124.138 -2.490 1
1 713 . 7 1 1 A 61 61 ASN H H 61 9.391 8.484 0.907 1
1 714 . 7 1 1 A 61 61 ASN CA C 61 51.763 51.660 0.103 1
1 715 . 7 1 1 A 61 61 ASN HA H 61 4.721 4.962 -0.241 1
1 716 . 7 1 1 A 61 61 ASN CB C 61 40.025 40.554 -0.529 1
1 722 . 7 1 1 A 61 61 ASN C C 61 176.599 175.893 0.706 1
1 723 . 7 1 1 A 62 62 GLU N N 62 126.707 125.108 1.599 1
1 724 . 7 1 1 A 62 62 GLU H H 62 9.255 8.966 0.289 1
1 725 . 7 1 1 A 62 62 GLU CA C 62 58.926 59.210 -0.284 1
1 726 . 7 1 1 A 62 62 GLU HA H 62 3.688 4.012 -0.324 1
1 727 . 7 1 1 A 62 62 GLU CB C 62 29.479 29.477 0.002 1
1 733 . 7 1 1 A 62 62 GLU C C 62 176.196 177.316 -1.120 1
1 734 . 7 1 1 A 63 63 ASP N N 63 116.763 118.416 -1.653 1
1 735 . 7 1 1 A 63 63 ASP H H 63 8.317 7.922 0.395 1
1 736 . 7 1 1 A 63 63 ASP CA C 63 55.499 54.240 1.259 1
1 737 . 7 1 1 A 63 63 ASP HA H 63 4.509 4.656 -0.147 1
1 738 . 7 1 1 A 63 63 ASP CB C 63 40.697 40.690 0.007 1
1 741 . 7 1 1 A 63 63 ASP C C 63 177.195 176.898 0.297 1
1 742 . 7 1 1 A 64 64 ASP N N 64 123.036 119.694 3.342 1
1 743 . 7 1 1 A 64 64 ASP H H 64 7.422 7.563 -0.141 1
1 744 . 7 1 1 A 64 64 ASP CA C 64 52.760 53.451 -0.691 1
1 745 . 7 1 1 A 64 64 ASP HA H 64 4.949 4.975 -0.026 1
1 746 . 7 1 1 A 64 64 ASP CB C 64 38.920 41.438 -2.518 1
1 749 . 7 1 1 A 64 64 ASP C C 64 174.979 176.097 -1.118 1
1 750 . 7 1 1 A 65 65 ALA N N 65 123.411 122.982 0.429 1
1 751 . 7 1 1 A 65 65 ALA H H 65 7.527 7.830 -0.303 1
1 752 . 7 1 1 A 65 65 ALA CA C 65 55.750 55.403 0.347 1
1 753 . 7 1 1 A 65 65 ALA HA H 65 4.295 3.925 0.370 1
1 754 . 7 1 1 A 65 65 ALA CB C 65 19.889 18.607 1.282 1
1 758 . 7 1 1 A 65 65 ALA C C 65 181.114 179.890 1.224 1
1 759 . 7 1 1 A 66 66 VAL N N 66 119.151 118.220 0.931 1
1 760 . 7 1 1 A 66 66 VAL H H 66 8.305 8.078 0.227 1
1 761 . 7 1 1 A 66 66 VAL CA C 66 67.423 67.103 0.320 1
1 762 . 7 1 1 A 66 66 VAL HA H 66 3.292 3.597 -0.305 1
1 763 . 7 1 1 A 66 66 VAL CB C 66 31.418 31.610 -0.192 1
1 773 . 7 1 1 A 66 66 VAL C C 66 177.471 177.909 -0.438 1
1 774 . 7 1 1 A 67 67 GLU N N 67 117.895 118.806 -0.911 1
1 775 . 7 1 1 A 67 67 GLU H H 67 8.256 8.245 0.011 1
1 776 . 7 1 1 A 67 67 GLU CA C 67 59.831 59.703 0.128 1
1 777 . 7 1 1 A 67 67 GLU HA H 67 3.901 3.940 -0.039 1
1 778 . 7 1 1 A 67 67 GLU CB C 67 28.963 29.220 -0.257 1
1 784 . 7 1 1 A 67 67 GLU C C 67 179.796 179.175 0.621 1
1 785 . 7 1 1 A 68 68 ASN N N 68 119.611 118.293 1.318 1
1 786 . 7 1 1 A 68 68 ASN H H 68 9.019 8.516 0.503 1
1 787 . 7 1 1 A 68 68 ASN CA C 68 55.797 56.343 -0.546 1
1 788 . 7 1 1 A 68 68 ASN HA H 68 4.325 4.328 -0.003 1
1 789 . 7 1 1 A 68 68 ASN CB C 68 37.140 37.950 -0.810 1
1 795 . 7 1 1 A 68 68 ASN C C 68 177.193 178.081 -0.888 1
1 796 . 7 1 1 A 69 69 ASN N N 69 115.555 117.860 -2.305 1
1 797 . 7 1 1 A 69 69 ASN H H 69 7.589 8.116 -0.527 1
1 798 . 7 1 1 A 69 69 ASN CA C 69 57.155 56.010 1.145 1
1 799 . 7 1 1 A 69 69 ASN HA H 69 3.880 4.105 -0.225 1
1 800 . 7 1 1 A 69 69 ASN CB C 69 40.785 38.274 2.511 1
1 806 . 7 1 1 A 69 69 ASN C C 69 175.062 177.509 -2.447 1
1 807 . 7 1 1 A 70 70 GLN N N 70 115.794 118.077 -2.283 1
1 808 . 7 1 1 A 70 70 GLN H H 70 8.058 8.110 -0.052 1
1 809 . 7 1 1 A 70 70 GLN CA C 70 58.400 59.226 -0.826 1
1 810 . 7 1 1 A 70 70 GLN HA H 70 3.591 4.183 -0.592 1
1 811 . 7 1 1 A 70 70 GLN CB C 70 29.420 28.308 1.112 1
1 820 . 7 1 1 A 70 70 GLN C C 70 176.954 178.447 -1.493 1
1 821 . 7 1 1 A 71 71 LEU N N 71 118.631 122.083 -3.452 1
1 822 . 7 1 1 A 71 71 LEU H H 71 8.090 8.397 -0.307 1
1 823 . 7 1 1 A 71 71 LEU CA C 71 58.121 58.440 -0.319 1
1 824 . 7 1 1 A 71 71 LEU HA H 71 4.291 4.017 0.274 1
1 825 . 7 1 1 A 71 71 LEU CB C 71 42.100 41.976 0.124 1
1 838 . 7 1 1 A 71 71 LEU C C 71 177.664 178.114 -0.450 1
1 839 . 7 1 1 A 72 72 ALA N N 72 119.977 120.038 -0.061 1
1 840 . 7 1 1 A 72 72 ALA H H 72 7.274 8.170 -0.896 1
1 841 . 7 1 1 A 72 72 ALA CA C 72 55.807 55.090 0.717 1
1 842 . 7 1 1 A 72 72 ALA HA H 72 3.873 4.060 -0.187 1
1 843 . 7 1 1 A 72 72 ALA CB C 72 18.412 18.498 -0.086 1
1 847 . 7 1 1 A 72 72 ALA C C 72 179.676 180.129 -0.453 1
1 848 . 7 1 1 A 73 73 PHE N N 73 115.018 116.380 -1.362 1
1 849 . 7 1 1 A 73 73 PHE H H 73 8.722 8.134 0.588 1
1 850 . 7 1 1 A 73 73 PHE CA C 73 56.889 61.951 -5.062 1
1 851 . 7 1 1 A 73 73 PHE HA H 73 4.848 4.562 0.286 1
1 852 . 7 1 1 A 73 73 PHE CB C 73 37.404 38.770 -1.366 1
1 865 . 7 1 1 A 73 73 PHE C C 73 180.123 178.119 2.004 1
1 866 . 7 1 1 A 74 74 ASP N N 74 122.136 119.505 2.631 1
1 867 . 7 1 1 A 74 74 ASP H H 74 9.262 8.543 0.719 1
1 868 . 7 1 1 A 74 74 ASP CA C 74 57.648 57.681 -0.033 1
1 869 . 7 1 1 A 74 74 ASP HA H 74 4.550 4.372 0.178 1
1 870 . 7 1 1 A 74 74 ASP CB C 74 40.073 41.674 -1.601 1
1 873 . 7 1 1 A 74 74 ASP C C 74 179.818 178.882 0.936 1
1 874 . 7 1 1 A 75 75 VAL N N 75 122.521 118.914 3.607 1
1 875 . 7 1 1 A 75 75 VAL H H 75 9.080 8.370 0.710 1
1 876 . 7 1 1 A 75 75 VAL CA C 75 66.894 66.460 0.434 1
1 877 . 7 1 1 A 75 75 VAL HA H 75 3.611 3.573 0.038 1
1 878 . 7 1 1 A 75 75 VAL CB C 75 31.943 31.536 0.407 1
1 888 . 7 1 1 A 75 75 VAL C C 75 177.813 178.397 -0.584 1
1 889 . 7 1 1 A 76 76 ALA N N 76 121.109 122.160 -1.051 1
1 890 . 7 1 1 A 76 76 ALA H H 76 8.813 8.549 0.264 1
1 891 . 7 1 1 A 76 76 ALA CA C 76 55.181 55.037 0.144 1
1 892 . 7 1 1 A 76 76 ALA HA H 76 4.092 4.247 -0.155 1
1 893 . 7 1 1 A 76 76 ALA CB C 76 19.324 18.816 0.508 1
1 897 . 7 1 1 A 76 76 ALA C C 76 180.373 180.054 0.319 1
1 898 . 7 1 1 A 77 77 GLU N N 77 120.309 118.319 1.990 1
1 899 . 7 1 1 A 77 77 GLU H H 77 8.257 7.912 0.345 1
1 900 . 7 1 1 A 77 77 GLU CA C 77 59.818 58.507 1.311 1
1 901 . 7 1 1 A 77 77 GLU HA H 77 3.982 4.240 -0.258 1
1 902 . 7 1 1 A 77 77 GLU CB C 77 30.530 29.782 0.748 1
1 908 . 7 1 1 A 77 77 GLU C C 77 178.591 178.303 0.288 1
1 909 . 7 1 1 A 78 78 ARG N N 78 119.060 119.588 -0.528 1
1 910 . 7 1 1 A 78 78 ARG H H 78 8.325 8.100 0.225 1
1 911 . 7 1 1 A 78 78 ARG CA C 78 59.232 58.229 1.003 1
1 912 . 7 1 1 A 78 78 ARG HA H 78 4.048 4.220 -0.172 1
1 913 . 7 1 1 A 78 78 ARG CB C 78 31.462 30.485 0.977 1
1 924 . 7 1 1 A 78 78 ARG C C 78 178.327 177.525 0.802 1
1 925 . 7 1 1 A 79 79 GLU N N 79 114.012 117.574 -3.562 1
1 926 . 7 1 1 A 79 79 GLU H H 79 8.878 8.290 0.588 1
1 927 . 7 1 1 A 79 79 GLU CA C 79 56.599 57.801 -1.202 1
1 928 . 7 1 1 A 79 79 GLU HA H 79 4.329 4.368 -0.039 1
1 929 . 7 1 1 A 79 79 GLU CB C 79 28.771 30.684 -1.913 1
1 935 . 7 1 1 A 79 79 GLU C C 79 178.301 178.129 0.172 1
1 936 . 7 1 1 A 80 80 PHE N N 80 113.394 117.177 -3.783 1
1 937 . 7 1 1 A 80 80 PHE H H 80 6.906 7.374 -0.468 1
1 938 . 7 1 1 A 80 80 PHE CA C 80 53.518 58.106 -4.588 1
1 939 . 7 1 1 A 80 80 PHE HA H 80 5.246 4.588 0.658 1
1 940 . 7 1 1 A 80 80 PHE CB C 80 39.910 39.391 0.519 1
1 953 . 7 1 1 A 80 80 PHE C C 80 176.487 176.182 0.305 1
1 954 . 7 1 1 A 81 81 GLY N N 81 108.698 109.166 -0.468 1
1 955 . 7 1 1 A 81 81 GLY H H 81 7.352 8.019 -0.667 1
1 956 . 7 1 1 A 81 81 GLY CA C 81 46.520 46.803 -0.283 1
1 957 . 7 1 1 A 81 81 GLY HA2 H 81 3.975 4.004 -0.029 1
1 958 . 7 1 1 A 81 81 GLY HA3 H 81 3.975 4.008 -0.033 1
1 959 . 7 1 1 A 81 81 GLY C C 81 174.711 174.622 0.089 1
1 960 . 7 1 1 A 82 82 ILE N N 82 122.486 122.117 0.369 1
1 961 . 7 1 1 A 82 82 ILE H H 82 7.507 8.389 -0.882 1
1 962 . 7 1 1 A 82 82 ILE CA C 82 58.810 58.049 0.761 1
1 963 . 7 1 1 A 82 82 ILE HA H 82 4.285 4.403 -0.118 1
1 964 . 7 1 1 A 82 82 ILE CB C 82 39.376 39.090 0.286 1
1 977 . 7 1 1 A 82 82 ILE C C 82 172.836 175.006 -2.170 1
1 978 . 7 1 1 A 83 83 PRO CA C 83 60.989 62.245 -1.256 1
1 979 . 7 1 1 A 83 83 PRO HA H 83 4.589 4.728 -0.139 1
1 980 . 7 1 1 A 83 83 PRO CB C 83 31.107 32.193 -1.086 1
1 989 . 7 1 1 A 84 84 PRO CA C 84 62.860 62.481 0.379 1
1 990 . 7 1 1 A 84 84 PRO HA H 84 4.405 4.494 -0.089 1
1 991 . 7 1 1 A 84 84 PRO CB C 84 32.638 31.906 0.732 1
1 1000 . 7 1 1 A 84 84 PRO C C 84 177.894 177.345 0.549 1
1 1001 . 7 1 1 A 85 85 VAL N N 85 114.062 117.765 -3.703 1
1 1002 . 7 1 1 A 85 85 VAL H H 85 6.621 7.871 -1.250 1
1 1003 . 7 1 1 A 85 85 VAL CA C 85 61.000 64.126 -3.126 1
1 1004 . 7 1 1 A 85 85 VAL HA H 85 4.080 3.833 0.247 1
1 1005 . 7 1 1 A 85 85 VAL CB C 85 32.725 31.837 0.888 1
1 1015 . 7 1 1 A 85 85 VAL C C 85 174.315 175.565 -1.250 1
1 1016 . 7 1 1 A 86 86 THR N N 86 114.774 114.346 0.428 1
1 1017 . 7 1 1 A 86 86 THR H H 86 6.827 7.272 -0.445 1
1 1018 . 7 1 1 A 86 86 THR CA C 86 59.336 59.493 -0.157 1
1 1019 . 7 1 1 A 86 86 THR HA H 86 4.442 4.678 -0.236 1
1 1020 . 7 1 1 A 86 86 THR CB C 86 68.016 71.791 -3.775 1
1 1026 . 7 1 1 A 86 86 THR C C 86 172.724 172.252 0.472 1
1 1027 . 7 1 1 A 87 87 THR N N 87 109.655 115.282 -5.627 1
1 1028 . 7 1 1 A 87 87 THR H H 87 8.313 8.361 -0.048 1
1 1029 . 7 1 1 A 87 87 THR CA C 87 59.870 60.401 -0.531 1
1 1030 . 7 1 1 A 87 87 THR HA H 87 5.000 4.595 0.405 1
1 1031 . 7 1 1 A 87 87 THR CB C 87 72.527 71.216 1.311 1
1 1037 . 7 1 1 A 87 87 THR C C 87 176.440 176.088 0.352 1
1 1038 . 7 1 1 A 88 88 GLY N N 88 110.531 109.838 0.693 1
1 1039 . 7 1 1 A 88 88 GLY H H 88 9.655 9.089 0.566 1
1 1040 . 7 1 1 A 88 88 GLY CA C 88 49.124 47.703 1.421 1
1 1041 . 7 1 1 A 88 88 GLY HA2 H 88 4.115 3.968 0.147 1
1 1042 . 7 1 1 A 88 88 GLY HA3 H 88 3.755 4.064 -0.309 1
1 1043 . 7 1 1 A 88 88 GLY C C 88 175.154 175.761 -0.607 1
1 1044 . 7 1 1 A 89 89 LYS N N 89 119.606 121.743 -2.137 1
1 1045 . 7 1 1 A 89 89 LYS H H 89 8.542 8.116 0.426 1
1 1046 . 7 1 1 A 89 89 LYS CA C 89 59.687 59.576 0.111 1
1 1047 . 7 1 1 A 89 89 LYS HA H 89 4.030 4.006 0.024 1
1 1048 . 7 1 1 A 89 89 LYS CB C 89 32.733 32.394 0.339 1
1 1060 . 7 1 1 A 89 89 LYS C C 89 178.921 179.095 -0.174 1
1 1061 . 7 1 1 A 90 90 GLU N N 90 118.992 119.264 -0.272 1
1 1062 . 7 1 1 A 90 90 GLU H H 90 7.610 7.627 -0.017 1
1 1063 . 7 1 1 A 90 90 GLU CA C 90 59.238 59.303 -0.065 1
1 1064 . 7 1 1 A 90 90 GLU HA H 90 4.008 4.415 -0.407 1
1 1065 . 7 1 1 A 90 90 GLU CB C 90 29.946 29.162 0.784 1
1 1071 . 7 1 1 A 90 90 GLU C C 90 179.366 178.874 0.492 1
1 1072 . 7 1 1 A 91 91 MET N N 91 120.109 119.575 0.534 1
1 1073 . 7 1 1 A 91 91 MET H H 91 8.468 8.437 0.031 1
1 1074 . 7 1 1 A 91 91 MET CA C 91 57.606 58.179 -0.573 1
1 1075 . 7 1 1 A 91 91 MET HA H 91 4.355 4.255 0.100 1
1 1076 . 7 1 1 A 91 91 MET CB C 91 32.364 32.449 -0.085 1
1 1086 . 7 1 1 A 91 91 MET C C 91 177.168 178.244 -1.076 1
1 1087 . 7 1 1 A 92 92 ALA N N 92 115.912 121.784 -5.872 1
1 1088 . 7 1 1 A 92 92 ALA H H 92 7.876 8.214 -0.338 1
1 1089 . 7 1 1 A 92 92 ALA CA C 92 53.278 55.092 -1.814 1
1 1090 . 7 1 1 A 92 92 ALA HA H 92 4.316 4.231 0.085 1
1 1091 . 7 1 1 A 92 92 ALA CB C 92 20.275 18.437 1.838 1
1 1095 . 7 1 1 A 92 92 ALA C C 92 178.672 179.495 -0.823 1
1 1096 . 7 1 1 A 93 93 SER N N 93 111.760 111.410 0.350 1
1 1097 . 7 1 1 A 93 93 SER H H 93 7.431 7.867 -0.436 1
1 1098 . 7 1 1 A 93 93 SER CA C 93 58.584 61.546 -2.962 1
1 1099 . 7 1 1 A 93 93 SER HA H 93 4.471 4.285 0.186 1
1 1100 . 7 1 1 A 93 93 SER CB C 93 64.582 62.514 2.068 1
1 1103 . 7 1 1 A 93 93 SER C C 93 173.576 175.013 -1.437 1
1 1104 . 7 1 1 A 94 94 ALA N N 94 123.381 123.475 -0.094 1
1 1105 . 7 1 1 A 94 94 ALA H H 94 7.903 7.826 0.077 1
1 1106 . 7 1 1 A 94 94 ALA CA C 94 52.760 52.996 -0.236 1
1 1107 . 7 1 1 A 94 94 ALA HA H 94 4.267 4.121 0.146 1
1 1108 . 7 1 1 A 94 94 ALA CB C 94 18.364 19.319 -0.955 1
1 1112 . 7 1 1 A 94 94 ALA C C 94 177.611 177.827 -0.216 1
1 1113 . 7 1 1 A 95 95 GLN N N 95 120.874 125.476 -4.602 1
1 1114 . 7 1 1 A 95 95 GLN H H 95 8.305 8.672 -0.367 1
1 1115 . 7 1 1 A 95 95 GLN CA C 95 56.821 58.647 -1.826 1
1 1116 . 7 1 1 A 95 95 GLN HA H 95 4.185 4.172 0.013 1
1 1117 . 7 1 1 A 95 95 GLN CB C 95 29.052 29.331 -0.279 1
1 1126 . 7 1 1 A 95 95 GLN C C 95 175.975 176.368 -0.393 1
1 1127 . 7 1 1 A 96 96 GLU N N 96 120.251 117.987 2.264 1
1 1128 . 7 1 1 A 96 96 GLU H H 96 8.402 7.963 0.439 1
1 1129 . 7 1 1 A 96 96 GLU CA C 96 54.378 53.217 1.161 1
1 1130 . 7 1 1 A 96 96 GLU HA H 96 4.537 4.747 -0.210 1
1 1131 . 7 1 1 A 96 96 GLU CB C 96 30.216 31.105 -0.889 1
1 1137 . 7 1 1 A 96 96 GLU C C 96 173.618 174.191 -0.573 1
1 1138 . 7 1 1 A 97 97 PRO CA C 97 62.763 62.362 0.401 1
1 1139 . 7 1 1 A 97 97 PRO HA H 97 4.362 4.631 -0.269 1
1 1140 . 7 1 1 A 97 97 PRO CB C 97 32.356 32.887 -0.531 1
1 1149 . 7 1 1 A 97 97 PRO C C 97 174.841 175.434 -0.593 1
1 1150 . 7 1 1 A 98 98 ASP N N 98 120.272 120.556 -0.284 1
1 1151 . 7 1 1 A 98 98 ASP H H 98 8.396 8.681 -0.285 1
1 1152 . 7 1 1 A 98 98 ASP CA C 98 54.555 54.104 0.451 1
1 1153 . 7 1 1 A 98 98 ASP HA H 98 4.409 4.701 -0.292 1
1 1154 . 7 1 1 A 98 98 ASP CB C 98 42.248 41.254 0.994 1
1 1157 . 7 1 1 A 98 98 ASP C C 98 176.253 176.653 -0.400 1
1 1158 . 7 1 1 A 99 99 LYS N N 99 126.808 124.293 2.515 1
1 1159 . 7 1 1 A 99 99 LYS H H 99 8.454 8.681 -0.227 1
1 1160 . 7 1 1 A 99 99 LYS CA C 99 60.158 59.274 0.884 1
1 1161 . 7 1 1 A 99 99 LYS HA H 99 3.705 3.969 -0.264 1
1 1162 . 7 1 1 A 99 99 LYS CB C 99 32.832 32.320 0.512 1
1 1174 . 7 1 1 A 99 99 LYS C C 99 177.621 179.001 -1.380 1
1 1175 . 7 1 1 A 100 100 LEU N N 100 118.450 122.235 -3.785 1
1 1176 . 7 1 1 A 100 100 LEU H H 100 8.160 8.040 0.120 1
1 1177 . 7 1 1 A 100 100 LEU CA C 100 58.094 58.373 -0.279 1
1 1178 . 7 1 1 A 100 100 LEU HA H 100 4.020 4.050 -0.030 1
1 1179 . 7 1 1 A 100 100 LEU CB C 100 40.800 41.808 -1.008 1
1 1192 . 7 1 1 A 100 100 LEU C C 100 179.776 178.276 1.500 1
1 1193 . 7 1 1 A 101 101 SER N N 101 115.644 113.393 2.251 1
1 1194 . 7 1 1 A 101 101 SER H H 101 8.047 8.473 -0.426 1
1 1195 . 7 1 1 A 101 101 SER CA C 101 61.765 61.811 -0.046 1
1 1196 . 7 1 1 A 101 101 SER HA H 101 4.174 4.232 -0.058 1
1 1197 . 7 1 1 A 101 101 SER CB C 101 62.609 62.826 -0.217 1
1 1200 . 7 1 1 A 101 101 SER C C 101 176.476 177.372 -0.896 1
1 1201 . 7 1 1 A 102 102 MET N N 102 120.653 119.588 1.065 1
1 1202 . 7 1 1 A 102 102 MET H H 102 8.027 7.645 0.382 1
1 1203 . 7 1 1 A 102 102 MET CA C 102 56.380 58.293 -1.913 1
1 1204 . 7 1 1 A 102 102 MET HA H 102 4.508 4.318 0.190 1
1 1205 . 7 1 1 A 102 102 MET CB C 102 30.731 33.180 -2.449 1
1 1215 . 7 1 1 A 102 102 MET C C 102 178.903 178.358 0.545 1
1 1216 . 7 1 1 A 103 103 VAL N N 103 119.836 119.404 0.432 1
1 1217 . 7 1 1 A 103 103 VAL H H 103 8.556 8.147 0.409 1
1 1218 . 7 1 1 A 103 103 VAL CA C 103 67.049 66.716 0.333 1
1 1219 . 7 1 1 A 103 103 VAL HA H 103 3.370 3.458 -0.088 1
1 1220 . 7 1 1 A 103 103 VAL CB C 103 31.583 31.683 -0.100 1
1 1230 . 7 1 1 A 103 103 VAL C C 103 179.225 177.811 1.414 1
1 1231 . 7 1 1 A 104 104 MET N N 104 120.390 119.147 1.243 1
1 1232 . 7 1 1 A 104 104 MET H H 104 8.112 8.774 -0.662 1
1 1233 . 7 1 1 A 104 104 MET CA C 104 58.991 58.388 0.603 1
1 1234 . 7 1 1 A 104 104 MET HA H 104 4.047 4.238 -0.191 1
1 1235 . 7 1 1 A 104 104 MET CB C 104 31.979 32.346 -0.367 1
1 1245 . 7 1 1 A 104 104 MET C C 104 178.210 178.236 -0.026 1
1 1246 . 7 1 1 A 105 105 TYR N N 105 120.956 122.218 -1.262 1
1 1247 . 7 1 1 A 105 105 TYR H H 105 8.185 8.055 0.130 1
1 1248 . 7 1 1 A 105 105 TYR CA C 105 61.449 61.676 -0.227 1
1 1249 . 7 1 1 A 105 105 TYR HA H 105 4.317 4.175 0.142 1
1 1250 . 7 1 1 A 105 105 TYR CB C 105 40.259 38.872 1.387 1
1 1261 . 7 1 1 A 105 105 TYR C C 105 177.805 177.350 0.455 1
1 1262 . 7 1 1 A 106 106 LEU N N 106 116.468 120.909 -4.441 1
1 1263 . 7 1 1 A 106 106 LEU H H 106 9.088 8.630 0.458 1
1 1264 . 7 1 1 A 106 106 LEU CA C 106 57.744 58.150 -0.406 1
1 1265 . 7 1 1 A 106 106 LEU HA H 106 4.139 4.078 0.061 1
1 1266 . 7 1 1 A 106 106 LEU CB C 106 42.285 41.308 0.977 1
1 1279 . 7 1 1 A 106 106 LEU C C 106 180.758 178.899 1.859 1
1 1280 . 7 1 1 A 107 107 SER N N 107 114.570 113.599 0.971 1
1 1281 . 7 1 1 A 107 107 SER H H 107 8.338 8.262 0.076 1
1 1282 . 7 1 1 A 107 107 SER CA C 107 63.030 61.580 1.450 1
1 1283 . 7 1 1 A 107 107 SER HA H 107 4.016 3.988 0.028 1
1 1284 . 7 1 1 A 107 107 SER CB C 107 62.866 62.891 -0.025 1
1 1287 . 7 1 1 A 107 107 SER C C 107 175.377 177.271 -1.894 1
1 1288 . 7 1 1 A 108 108 LYS N N 108 120.221 120.816 -0.595 1
1 1289 . 7 1 1 A 108 108 LYS H H 108 7.522 8.030 -0.508 1
1 1290 . 7 1 1 A 108 108 LYS CA C 108 58.870 59.192 -0.322 1
1 1291 . 7 1 1 A 108 108 LYS HA H 108 3.910 3.831 0.079 1
1 1292 . 7 1 1 A 108 108 LYS CB C 108 31.719 31.789 -0.070 1
1 1304 . 7 1 1 A 108 108 LYS C C 108 179.587 179.384 0.203 1
1 1305 . 7 1 1 A 109 109 PHE N N 109 118.900 119.463 -0.563 1
1 1306 . 7 1 1 A 109 109 PHE H H 109 7.282 7.856 -0.574 1
1 1307 . 7 1 1 A 109 109 PHE CA C 109 61.501 60.318 1.183 1
1 1308 . 7 1 1 A 109 109 PHE HA H 109 3.550 4.195 -0.645 1
1 1309 . 7 1 1 A 109 109 PHE CB C 109 38.201 38.184 0.017 1
1 1322 . 7 1 1 A 109 109 PHE C C 109 176.181 177.945 -1.764 1
1 1323 . 7 1 1 A 110 110 TYR N N 110 120.089 119.265 0.824 1
1 1324 . 7 1 1 A 110 110 TYR H H 110 7.417 8.205 -0.788 1
1 1325 . 7 1 1 A 110 110 TYR CA C 110 60.263 61.678 -1.415 1
1 1326 . 7 1 1 A 110 110 TYR HA H 110 2.584 3.105 -0.521 1
1 1327 . 7 1 1 A 110 110 TYR CB C 110 38.138 38.297 -0.159 1
1 1338 . 7 1 1 A 110 110 TYR C C 110 176.298 176.661 -0.363 1
1 1339 . 7 1 1 A 111 111 GLU N N 111 115.750 118.645 -2.895 1
1 1340 . 7 1 1 A 111 111 GLU H H 111 7.899 8.779 -0.880 1
1 1341 . 7 1 1 A 111 111 GLU CA C 111 58.712 59.250 -0.538 1
1 1342 . 7 1 1 A 111 111 GLU HA H 111 3.528 3.803 -0.275 1
1 1343 . 7 1 1 A 111 111 GLU CB C 111 29.429 29.463 -0.034 1
1 1349 . 7 1 1 A 111 111 GLU C C 111 178.367 178.700 -0.333 1
1 1350 . 7 1 1 A 112 112 LEU N N 112 118.646 122.106 -3.460 1
1 1351 . 7 1 1 A 112 112 LEU H H 112 6.922 8.046 -1.124 1
1 1352 . 7 1 1 A 112 112 LEU CA C 112 57.107 58.445 -1.338 1
1 1353 . 7 1 1 A 112 112 LEU HA H 112 3.775 3.873 -0.098 1
1 1354 . 7 1 1 A 112 112 LEU CB C 112 42.499 41.586 0.913 1
1 1367 . 7 1 1 A 112 112 LEU C C 112 178.820 178.046 0.774 1
1 1368 . 7 1 1 A 113 113 PHE N N 113 114.884 116.429 -1.545 1
1 1369 . 7 1 1 A 113 113 PHE H H 113 7.723 8.774 -1.051 1
1 1370 . 7 1 1 A 113 113 PHE CA C 113 57.108 60.204 -3.096 1
1 1371 . 7 1 1 A 113 113 PHE HA H 113 4.495 4.193 0.302 1
1 1372 . 7 1 1 A 113 113 PHE CB C 113 38.324 38.373 -0.049 1
1 1385 . 7 1 1 A 113 113 PHE C C 113 177.445 176.659 0.786 1
1 1386 . 7 1 1 A 114 114 ARG N N 114 119.913 117.900 2.013 1
1 1387 . 7 1 1 A 114 114 ARG H H 114 7.840 7.816 0.024 1
1 1388 . 7 1 1 A 114 114 ARG CA C 114 57.747 57.849 -0.102 1
1 1389 . 7 1 1 A 114 114 ARG HA H 114 4.164 3.916 0.248 1
1 1390 . 7 1 1 A 114 114 ARG CB C 114 28.994 30.782 -1.788 1
1 1399 . 7 1 1 A 114 114 ARG C C 114 177.051 175.794 1.257 1
1 1400 . 7 1 1 A 115 115 GLY N N 115 108.376 113.604 -5.228 1
1 1401 . 7 1 1 A 115 115 GLY H H 115 8.070 8.441 -0.371 1
1 1402 . 7 1 1 A 115 115 GLY CA C 115 45.201 46.088 -0.887 1
1 1403 . 7 1 1 A 115 115 GLY HA2 H 115 3.873 4.026 -0.153 1
1 1404 . 7 1 1 A 115 115 GLY HA3 H 115 3.988 4.049 -0.061 1
1 1405 . 7 1 1 A 115 115 GLY C C 115 173.987 173.575 0.412 1
1 1406 . 7 1 1 A 116 116 THR N N 116 116.618 114.547 2.071 1
1 1407 . 7 1 1 A 116 116 THR H H 116 7.858 8.186 -0.328 1
1 1408 . 7 1 1 A 116 116 THR CA C 116 60.032 58.696 1.336 1
1 1409 . 7 1 1 A 116 116 THR HA H 116 4.620 4.758 -0.138 1
1 1410 . 7 1 1 A 116 116 THR CB C 116 70.082 70.760 -0.678 1
1 1416 . 7 1 1 A 116 116 THR C C 116 172.615 172.860 -0.245 1
1 1417 . 7 1 1 A 117 117 PRO CA C 117 63.086 62.252 0.834 1
1 1418 . 7 1 1 A 117 117 PRO HA H 117 4.451 4.637 -0.186 1
1 1419 . 7 1 1 A 117 117 PRO CB C 117 32.220 32.693 -0.473 1
1 1428 . 7 1 1 A 117 117 PRO C C 117 176.812 176.620 0.192 1
1 1429 . 7 1 1 A 118 118 LEU N N 118 122.695 122.767 -0.072 1
1 1430 . 7 1 1 A 118 118 LEU H H 118 8.424 8.397 0.027 1
1 1431 . 7 1 1 A 118 118 LEU CA C 118 55.266 55.029 0.237 1
1 1432 . 7 1 1 A 118 118 LEU HA H 118 4.276 4.372 -0.096 1
1 1433 . 7 1 1 A 118 118 LEU CB C 118 42.339 42.480 -0.141 1
1 1446 . 7 1 1 A 118 118 LEU C C 118 177.027 176.708 0.319 1
1 1447 . 7 1 1 A 119 119 ARG N N 119 122.979 121.670 1.309 1
1 1448 . 7 1 1 A 119 119 ARG H H 119 8.250 8.019 0.231 1
1 1449 . 7 1 1 A 119 119 ARG CA C 119 53.688 54.273 -0.585 1
1 1450 . 7 1 1 A 119 119 ARG HA H 119 4.644 4.430 0.214 1
1 1451 . 7 1 1 A 119 119 ARG CB C 119 30.469 30.813 -0.344 1
1 1460 . 7 1 1 A 119 119 ARG C C 119 174.019 175.007 -0.988 1
1 1461 . 7 1 1 A 120 120 PRO CA C 120 63.366 62.402 0.964 1
1 1462 . 7 1 1 A 120 120 PRO HA H 120 4.440 4.656 -0.216 1
1 1463 . 7 1 1 A 120 120 PRO CB C 120 31.958 33.257 -1.299 1
1 1472 . 7 1 1 A 120 120 PRO C C 120 176.104 175.192 0.912 1
1 1 . 8 1 1 A 6 6 SER CA C 6 58.867 56.681 2.186 1
1 2 . 8 1 1 A 6 6 SER HA H 6 4.432 4.957 -0.525 1
1 3 . 8 1 1 A 6 6 SER CB C 6 63.603 64.234 -0.631 1
1 6 . 8 1 1 A 6 6 SER C C 6 175.018 173.500 1.518 1
1 7 . 8 1 1 A 7 7 GLY N N 7 110.530 113.806 -3.276 1
1 8 . 8 1 1 A 7 7 GLY H H 7 8.382 8.326 0.056 1
1 9 . 8 1 1 A 7 7 GLY CA C 7 45.311 45.930 -0.619 1
1 10 . 8 1 1 A 7 7 GLY HA2 H 7 3.922 4.160 -0.238 1
1 11 . 8 1 1 A 7 7 GLY HA3 H 7 3.922 4.163 -0.241 1
1 12 . 8 1 1 A 7 7 GLY C C 7 173.740 171.716 2.024 1
1 13 . 8 1 1 A 8 8 ASP N N 8 120.471 122.348 -1.877 1
1 14 . 8 1 1 A 8 8 ASP H H 8 8.121 8.474 -0.353 1
1 15 . 8 1 1 A 8 8 ASP CA C 8 54.214 53.612 0.602 1
1 16 . 8 1 1 A 8 8 ASP HA H 8 4.560 4.809 -0.249 1
1 17 . 8 1 1 A 8 8 ASP CB C 8 41.172 39.184 1.988 1
1 20 . 8 1 1 A 8 8 ASP C C 8 176.082 174.900 1.182 1
1 21 . 8 1 1 A 9 9 ILE N N 9 121.785 124.613 -2.828 1
1 22 . 8 1 1 A 9 9 ILE H H 9 8.115 7.916 0.199 1
1 23 . 8 1 1 A 9 9 ILE CA C 9 60.327 59.898 0.429 1
1 24 . 8 1 1 A 9 9 ILE HA H 9 4.083 4.651 -0.568 1
1 25 . 8 1 1 A 9 9 ILE CB C 9 38.394 40.344 -1.950 1
1 38 . 8 1 1 A 9 9 ILE C C 9 175.579 175.993 -0.414 1
1 39 . 8 1 1 A 10 10 ARG N N 10 125.977 125.044 0.933 1
1 40 . 8 1 1 A 10 10 ARG H H 10 8.319 8.876 -0.557 1
1 41 . 8 1 1 A 10 10 ARG CA C 10 54.661 60.363 -5.702 1
1 42 . 8 1 1 A 10 10 ARG HA H 10 4.493 4.181 0.312 1
1 43 . 8 1 1 A 10 10 ARG CB C 10 29.730 30.325 -0.595 1
1 52 . 8 1 1 A 10 10 ARG C C 10 175.511 176.535 -1.024 1
1 53 . 8 1 1 A 11 11 PRO CA C 11 65.595 66.392 -0.797 1
1 54 . 8 1 1 A 11 11 PRO HA H 11 4.064 4.289 -0.225 1
1 55 . 8 1 1 A 11 11 PRO CB C 11 31.690 30.655 1.035 1
1 64 . 8 1 1 A 12 12 SER CA C 12 60.656 61.793 -1.137 1
1 65 . 8 1 1 A 12 12 SER HA H 12 4.194 4.148 0.046 1
1 66 . 8 1 1 A 12 12 SER CB C 12 62.321 62.988 -0.667 1
1 69 . 8 1 1 A 13 13 LYS H H 13 7.510 7.875 -0.365 1
1 70 . 8 1 1 A 13 13 LYS CA C 13 58.585 59.829 -1.244 1
1 71 . 8 1 1 A 13 13 LYS HA H 13 4.186 4.020 0.166 1
1 72 . 8 1 1 A 13 13 LYS CB C 13 32.274 31.885 0.389 1
1 84 . 8 1 1 A 13 13 LYS C C 13 179.028 178.346 0.682 1
1 85 . 8 1 1 A 14 14 LEU N N 14 121.315 120.587 0.728 1
1 86 . 8 1 1 A 14 14 LEU H H 14 7.968 8.136 -0.168 1
1 87 . 8 1 1 A 14 14 LEU CA C 14 57.648 58.381 -0.733 1
1 88 . 8 1 1 A 14 14 LEU HA H 14 3.889 3.629 0.260 1
1 89 . 8 1 1 A 14 14 LEU CB C 14 42.171 41.687 0.484 1
1 102 . 8 1 1 A 14 14 LEU C C 14 178.689 178.544 0.145 1
1 103 . 8 1 1 A 15 15 LEU N N 15 120.526 119.830 0.696 1
1 104 . 8 1 1 A 15 15 LEU H H 15 8.546 8.488 0.058 1
1 105 . 8 1 1 A 15 15 LEU CA C 15 59.227 58.511 0.716 1
1 106 . 8 1 1 A 15 15 LEU HA H 15 4.038 4.098 -0.060 1
1 107 . 8 1 1 A 15 15 LEU CB C 15 40.993 41.787 -0.794 1
1 120 . 8 1 1 A 15 15 LEU C C 15 178.020 178.704 -0.684 1
1 121 . 8 1 1 A 16 16 THR N N 16 114.667 113.579 1.088 1
1 122 . 8 1 1 A 16 16 THR H H 16 7.945 7.634 0.311 1
1 123 . 8 1 1 A 16 16 THR CA C 16 66.778 66.292 0.486 1
1 124 . 8 1 1 A 16 16 THR HA H 16 4.162 3.970 0.192 1
1 125 . 8 1 1 A 16 16 THR CB C 16 68.914 68.519 0.395 1
1 131 . 8 1 1 A 16 16 THR C C 16 176.419 176.713 -0.294 1
1 132 . 8 1 1 A 17 17 TRP N N 17 122.548 121.172 1.376 1
1 133 . 8 1 1 A 17 17 TRP H H 17 8.242 8.101 0.141 1
1 134 . 8 1 1 A 17 17 TRP CA C 17 63.006 61.515 1.491 1
1 135 . 8 1 1 A 17 17 TRP HA H 17 4.442 4.287 0.155 1
1 136 . 8 1 1 A 17 17 TRP CB C 17 28.530 30.072 -1.542 1
1 151 . 8 1 1 A 17 17 TRP C C 17 178.678 177.562 1.116 1
1 152 . 8 1 1 A 18 18 CYS N N 18 117.202 117.204 -0.002 1
1 153 . 8 1 1 A 18 18 CYS H H 18 8.993 8.184 0.809 1
1 154 . 8 1 1 A 18 18 CYS CA C 18 64.830 63.351 1.479 1
1 155 . 8 1 1 A 18 18 CYS HA H 18 3.855 3.901 -0.046 1
1 156 . 8 1 1 A 18 18 CYS CB C 18 27.945 27.355 0.590 1
1 159 . 8 1 1 A 18 18 CYS C C 18 178.411 177.338 1.073 1
1 160 . 8 1 1 A 19 19 GLN N N 19 120.296 120.043 0.253 1
1 161 . 8 1 1 A 19 19 GLN H H 19 8.696 8.535 0.161 1
1 162 . 8 1 1 A 19 19 GLN CA C 19 59.705 59.259 0.446 1
1 163 . 8 1 1 A 19 19 GLN HA H 19 3.654 3.891 -0.237 1
1 164 . 8 1 1 A 19 19 GLN CB C 19 27.820 28.108 -0.288 1
1 173 . 8 1 1 A 19 19 GLN C C 19 177.957 178.699 -0.742 1
1 174 . 8 1 1 A 20 20 GLN N N 20 119.247 118.730 0.517 1
1 175 . 8 1 1 A 20 20 GLN H H 20 8.306 7.963 0.343 1
1 176 . 8 1 1 A 20 20 GLN CA C 20 58.838 58.881 -0.043 1
1 177 . 8 1 1 A 20 20 GLN HA H 20 4.016 3.963 0.053 1
1 178 . 8 1 1 A 20 20 GLN CB C 20 28.000 28.338 -0.338 1
1 187 . 8 1 1 A 20 20 GLN C C 20 179.476 178.782 0.694 1
1 188 . 8 1 1 A 21 21 GLN N N 21 113.337 118.643 -5.306 1
1 189 . 8 1 1 A 21 21 GLN H H 21 7.999 7.797 0.202 1
1 190 . 8 1 1 A 21 21 GLN CA C 21 55.909 58.788 -2.879 1
1 191 . 8 1 1 A 21 21 GLN HA H 21 4.043 3.808 0.235 1
1 192 . 8 1 1 A 21 21 GLN CB C 21 27.676 27.819 -0.143 1
1 201 . 8 1 1 A 21 21 GLN C C 21 177.394 177.081 0.313 1
1 202 . 8 1 1 A 22 22 THR N N 22 103.485 107.933 -4.448 1
1 203 . 8 1 1 A 22 22 THR H H 22 7.119 7.400 -0.281 1
1 204 . 8 1 1 A 22 22 THR CA C 22 61.272 61.681 -0.409 1
1 205 . 8 1 1 A 22 22 THR HA H 22 4.092 3.996 0.096 1
1 206 . 8 1 1 A 22 22 THR CB C 22 69.448 69.270 0.178 1
1 212 . 8 1 1 A 22 22 THR C C 22 174.644 174.112 0.532 1
1 213 . 8 1 1 A 23 23 GLU N N 23 125.366 123.447 1.919 1
1 214 . 8 1 1 A 23 23 GLU H H 23 6.949 8.034 -1.085 1
1 215 . 8 1 1 A 23 23 GLU CA C 23 58.389 58.016 0.373 1
1 216 . 8 1 1 A 23 23 GLU HA H 23 3.999 3.978 0.021 1
1 217 . 8 1 1 A 23 23 GLU CB C 23 29.683 29.513 0.170 1
1 223 . 8 1 1 A 23 23 GLU C C 23 177.061 177.332 -0.271 1
1 224 . 8 1 1 A 24 24 GLY N N 24 112.717 115.112 -2.395 1
1 225 . 8 1 1 A 24 24 GLY H H 24 8.732 8.982 -0.250 1
1 226 . 8 1 1 A 24 24 GLY CA C 24 45.326 45.074 0.252 1
1 227 . 8 1 1 A 24 24 GLY HA2 H 24 3.988 3.948 0.040 1
1 228 . 8 1 1 A 24 24 GLY HA3 H 24 3.538 3.950 -0.412 1
1 229 . 8 1 1 A 24 24 GLY C C 24 174.531 173.885 0.646 1
1 230 . 8 1 1 A 25 25 TYR N N 25 120.189 119.864 0.325 1
1 231 . 8 1 1 A 25 25 TYR H H 25 7.488 7.950 -0.462 1
1 232 . 8 1 1 A 25 25 TYR CA C 25 59.028 58.372 0.656 1
1 233 . 8 1 1 A 25 25 TYR HA H 25 3.947 4.243 -0.296 1
1 234 . 8 1 1 A 25 25 TYR CB C 25 37.202 38.856 -1.654 1
1 245 . 8 1 1 A 25 25 TYR C C 25 176.354 175.310 1.044 1
1 246 . 8 1 1 A 26 26 GLN N N 26 125.301 122.777 2.524 1
1 247 . 8 1 1 A 26 26 GLN H H 26 8.877 8.489 0.388 1
1 248 . 8 1 1 A 26 26 GLN CA C 26 56.923 55.133 1.790 1
1 249 . 8 1 1 A 26 26 GLN HA H 26 3.866 4.361 -0.495 1
1 250 . 8 1 1 A 26 26 GLN CB C 26 28.808 30.032 -1.224 1
1 259 . 8 1 1 A 26 26 GLN C C 26 175.582 175.847 -0.265 1
1 260 . 8 1 1 A 27 27 HIS N N 27 111.738 115.710 -3.972 1
1 261 . 8 1 1 A 27 27 HIS H H 27 8.581 8.454 0.127 1
1 262 . 8 1 1 A 27 27 HIS CA C 27 56.937 56.867 0.070 1
1 263 . 8 1 1 A 27 27 HIS HA H 27 4.174 4.043 0.131 1
1 264 . 8 1 1 A 27 27 HIS CB C 27 26.839 27.059 -0.220 1
1 271 . 8 1 1 A 27 27 HIS C C 27 172.979 174.233 -1.254 1
1 272 . 8 1 1 A 28 28 VAL N N 28 118.229 119.105 -0.876 1
1 273 . 8 1 1 A 28 28 VAL H H 28 7.377 7.574 -0.197 1
1 274 . 8 1 1 A 28 28 VAL CA C 28 61.927 61.585 0.342 1
1 275 . 8 1 1 A 28 28 VAL HA H 28 3.922 4.238 -0.316 1
1 276 . 8 1 1 A 28 28 VAL CB C 28 33.373 33.020 0.353 1
1 286 . 8 1 1 A 28 28 VAL C C 28 174.687 173.507 1.180 1
1 287 . 8 1 1 A 29 29 ASN N N 29 125.832 127.882 -2.050 1
1 288 . 8 1 1 A 29 29 ASN H H 29 8.604 9.125 -0.521 1
1 289 . 8 1 1 A 29 29 ASN CA C 29 52.651 51.782 0.869 1
1 290 . 8 1 1 A 29 29 ASN HA H 29 4.682 5.330 -0.648 1
1 291 . 8 1 1 A 29 29 ASN CB C 29 39.124 39.807 -0.683 1
1 297 . 8 1 1 A 29 29 ASN C C 29 173.380 173.741 -0.361 1
1 298 . 8 1 1 A 30 30 VAL N N 30 125.146 126.934 -1.788 1
1 299 . 8 1 1 A 30 30 VAL H H 30 9.203 8.848 0.355 1
1 300 . 8 1 1 A 30 30 VAL CA C 30 63.838 62.480 1.358 1
1 301 . 8 1 1 A 30 30 VAL HA H 30 3.699 4.159 -0.460 1
1 302 . 8 1 1 A 30 30 VAL CB C 30 31.136 31.788 -0.652 1
1 312 . 8 1 1 A 30 30 VAL C C 30 176.046 176.401 -0.355 1
1 313 . 8 1 1 A 31 31 THR N N 31 118.952 117.487 1.465 1
1 314 . 8 1 1 A 31 31 THR H H 31 8.396 8.384 0.012 1
1 315 . 8 1 1 A 31 31 THR CA C 31 60.985 61.914 -0.929 1
1 316 . 8 1 1 A 31 31 THR HA H 31 4.316 4.627 -0.311 1
1 317 . 8 1 1 A 31 31 THR CB C 31 70.087 70.599 -0.512 1
1 323 . 8 1 1 A 31 31 THR C C 31 173.296 174.664 -1.368 1
1 324 . 8 1 1 A 32 32 ASP N N 32 120.757 120.385 0.372 1
1 325 . 8 1 1 A 32 32 ASP H H 32 8.078 7.358 0.720 1
1 326 . 8 1 1 A 32 32 ASP CA C 32 53.069 52.950 0.119 1
1 327 . 8 1 1 A 32 32 ASP HA H 32 4.536 5.161 -0.625 1
1 328 . 8 1 1 A 32 32 ASP CB C 32 41.527 44.312 -2.785 1
1 331 . 8 1 1 A 32 32 ASP C C 32 174.931 175.201 -0.270 1
1 332 . 8 1 1 A 33 33 LEU N N 33 117.024 120.816 -3.792 1
1 333 . 8 1 1 A 33 33 LEU H H 33 8.733 8.472 0.261 1
1 334 . 8 1 1 A 33 33 LEU CA C 33 54.453 54.302 0.151 1
1 335 . 8 1 1 A 33 33 LEU HA H 33 4.834 5.186 -0.352 1
1 336 . 8 1 1 A 33 33 LEU CB C 33 41.867 42.356 -0.489 1
1 349 . 8 1 1 A 33 33 LEU C C 33 174.039 177.065 -3.026 1
1 350 . 8 1 1 A 34 34 THR N N 34 103.873 112.108 -8.235 1
1 351 . 8 1 1 A 34 34 THR H H 34 7.900 7.868 0.032 1
1 352 . 8 1 1 A 34 34 THR CA C 34 60.434 62.596 -2.162 1
1 353 . 8 1 1 A 34 34 THR HA H 34 4.519 4.641 -0.122 1
1 354 . 8 1 1 A 34 34 THR CB C 34 70.237 69.981 0.256 1
1 360 . 8 1 1 A 34 34 THR C C 34 175.954 175.750 0.204 1
1 361 . 8 1 1 A 35 35 THR N N 35 118.103 114.876 3.227 1
1 362 . 8 1 1 A 35 35 THR H H 35 9.363 8.486 0.877 1
1 363 . 8 1 1 A 35 35 THR CA C 35 66.422 64.927 1.495 1
1 364 . 8 1 1 A 35 35 THR HA H 35 3.981 4.204 -0.223 1
1 365 . 8 1 1 A 35 35 THR CB C 35 68.720 68.668 0.052 1
1 371 . 8 1 1 A 35 35 THR C C 35 177.778 176.995 0.783 1
1 372 . 8 1 1 A 36 36 SER N N 36 120.417 116.522 3.895 1
1 373 . 8 1 1 A 36 36 SER H H 36 10.544 8.289 2.255 1
1 374 . 8 1 1 A 36 36 SER CA C 36 61.076 62.489 -1.413 1
1 375 . 8 1 1 A 36 36 SER HA H 36 4.395 4.099 0.296 1
1 376 . 8 1 1 A 36 36 SER CB C 36 63.485 63.153 0.332 1
1 379 . 8 1 1 A 36 36 SER C C 36 173.956 175.453 -1.497 1
1 380 . 8 1 1 A 37 37 TRP N N 37 121.387 118.393 2.994 1
1 381 . 8 1 1 A 37 37 TRP H H 37 8.126 8.083 0.043 1
1 382 . 8 1 1 A 37 37 TRP CA C 37 57.689 56.240 1.449 1
1 383 . 8 1 1 A 37 37 TRP HA H 37 4.340 5.052 -0.712 1
1 384 . 8 1 1 A 37 37 TRP CB C 37 28.915 29.013 -0.098 1
1 399 . 8 1 1 A 37 37 TRP C C 37 176.751 176.633 0.118 1
1 400 . 8 1 1 A 38 38 ARG N N 38 121.787 119.226 2.561 1
1 401 . 8 1 1 A 38 38 ARG H H 38 7.473 8.298 -0.825 1
1 402 . 8 1 1 A 38 38 ARG CA C 38 60.250 58.640 1.610 1
1 403 . 8 1 1 A 38 38 ARG HA H 38 4.065 4.215 -0.150 1
1 404 . 8 1 1 A 38 38 ARG CB C 38 30.807 30.328 0.479 1
1 415 . 8 1 1 A 38 38 ARG C C 38 177.636 178.603 -0.967 1
1 416 . 8 1 1 A 39 39 SER N N 39 110.340 114.757 -4.417 1
1 417 . 8 1 1 A 39 39 SER H H 39 8.665 7.775 0.890 1
1 418 . 8 1 1 A 39 39 SER CA C 39 59.336 59.401 -0.065 1
1 419 . 8 1 1 A 39 39 SER HA H 39 4.349 4.489 -0.140 1
1 420 . 8 1 1 A 39 39 SER CB C 39 64.907 64.291 0.616 1
1 423 . 8 1 1 A 39 39 SER C C 39 174.768 174.495 0.273 1
1 424 . 8 1 1 A 40 40 GLY N N 40 109.467 109.191 0.276 1
1 425 . 8 1 1 A 40 40 GLY H H 40 7.549 7.769 -0.220 1
1 426 . 8 1 1 A 40 40 GLY CA C 40 46.347 45.431 0.916 1
1 427 . 8 1 1 A 40 40 GLY HA2 H 40 3.875 3.873 0.002 1
1 428 . 8 1 1 A 40 40 GLY HA3 H 40 3.915 3.905 0.010 1
1 429 . 8 1 1 A 40 40 GLY C C 40 173.725 175.998 -2.273 1
1 430 . 8 1 1 A 41 41 LEU N N 41 117.562 122.040 -4.478 1
1 431 . 8 1 1 A 41 41 LEU H H 41 7.287 8.139 -0.852 1
1 432 . 8 1 1 A 41 41 LEU CA C 41 57.482 57.244 0.238 1
1 433 . 8 1 1 A 41 41 LEU HA H 41 3.882 3.907 -0.025 1
1 434 . 8 1 1 A 41 41 LEU CB C 41 42.615 41.483 1.132 1
1 447 . 8 1 1 A 41 41 LEU C C 41 178.159 178.715 -0.556 1
1 448 . 8 1 1 A 42 42 ALA N N 42 121.758 121.625 0.133 1
1 449 . 8 1 1 A 42 42 ALA H H 42 8.506 8.172 0.334 1
1 450 . 8 1 1 A 42 42 ALA CA C 42 55.694 55.020 0.674 1
1 451 . 8 1 1 A 42 42 ALA HA H 42 3.582 3.776 -0.194 1
1 452 . 8 1 1 A 42 42 ALA CB C 42 17.039 17.884 -0.845 1
1 456 . 8 1 1 A 42 42 ALA C C 42 178.076 179.453 -1.377 1
1 457 . 8 1 1 A 43 43 LEU N N 43 118.332 119.109 -0.777 1
1 458 . 8 1 1 A 43 43 LEU H H 43 8.933 7.923 1.010 1
1 459 . 8 1 1 A 43 43 LEU CA C 43 57.425 57.800 -0.375 1
1 460 . 8 1 1 A 43 43 LEU HA H 43 4.308 4.289 0.019 1
1 461 . 8 1 1 A 43 43 LEU CB C 43 42.068 41.606 0.462 1
1 474 . 8 1 1 A 43 43 LEU C C 43 179.198 178.626 0.572 1
1 475 . 8 1 1 A 44 44 CYS N N 44 115.098 117.162 -2.064 1
1 476 . 8 1 1 A 44 44 CYS H H 44 7.607 8.251 -0.644 1
1 477 . 8 1 1 A 44 44 CYS CA C 44 65.664 62.825 2.839 1
1 478 . 8 1 1 A 44 44 CYS HA H 44 4.035 4.142 -0.107 1
1 479 . 8 1 1 A 44 44 CYS CB C 44 27.516 26.932 0.584 1
1 482 . 8 1 1 A 44 44 CYS C C 44 176.222 177.041 -0.819 1
1 483 . 8 1 1 A 45 45 ALA N N 45 121.778 122.185 -0.407 1
1 484 . 8 1 1 A 45 45 ALA H H 45 8.435 8.232 0.203 1
1 485 . 8 1 1 A 45 45 ALA CA C 45 55.306 55.081 0.225 1
1 486 . 8 1 1 A 45 45 ALA HA H 45 3.184 4.304 -1.120 1
1 487 . 8 1 1 A 45 45 ALA CB C 45 17.395 18.124 -0.729 1
1 491 . 8 1 1 A 45 45 ALA C C 45 177.510 179.671 -2.161 1
1 492 . 8 1 1 A 46 46 ILE N N 46 116.463 117.635 -1.172 1
1 493 . 8 1 1 A 46 46 ILE H H 46 7.527 7.483 0.044 1
1 494 . 8 1 1 A 46 46 ILE CA C 46 65.137 64.807 0.330 1
1 495 . 8 1 1 A 46 46 ILE HA H 46 3.267 3.602 -0.335 1
1 496 . 8 1 1 A 46 46 ILE CB C 46 37.084 37.860 -0.776 1
1 509 . 8 1 1 A 46 46 ILE C C 46 176.744 178.859 -2.115 1
1 510 . 8 1 1 A 47 47 ILE N N 47 115.676 121.317 -5.641 1
1 511 . 8 1 1 A 47 47 ILE H H 47 7.786 7.857 -0.071 1
1 512 . 8 1 1 A 47 47 ILE CA C 47 66.948 64.687 2.261 1
1 513 . 8 1 1 A 47 47 ILE HA H 47 3.754 3.771 -0.017 1
1 514 . 8 1 1 A 47 47 ILE CB C 47 38.335 37.838 0.497 1
1 527 . 8 1 1 A 47 47 ILE C C 47 176.853 178.245 -1.392 1
1 528 . 8 1 1 A 48 48 HIS N N 48 120.066 119.922 0.144 1
1 529 . 8 1 1 A 48 48 HIS H H 48 8.569 8.740 -0.171 1
1 530 . 8 1 1 A 48 48 HIS CA C 48 60.767 60.165 0.602 1
1 531 . 8 1 1 A 48 48 HIS HA H 48 3.918 4.353 -0.435 1
1 532 . 8 1 1 A 48 48 HIS CB C 48 31.245 29.890 1.355 1
1 539 . 8 1 1 A 48 48 HIS C C 48 175.841 177.060 -1.219 1
1 540 . 8 1 1 A 49 49 ARG N N 49 118.781 118.099 0.682 1
1 541 . 8 1 1 A 49 49 ARG H H 49 8.572 8.725 -0.153 1
1 542 . 8 1 1 A 49 49 ARG CA C 49 58.152 59.156 -1.004 1
1 543 . 8 1 1 A 49 49 ARG HA H 49 3.680 3.845 -0.165 1
1 544 . 8 1 1 A 49 49 ARG CB C 49 28.454 30.180 -1.726 1
1 555 . 8 1 1 A 49 49 ARG C C 49 177.830 179.117 -1.287 1
1 556 . 8 1 1 A 50 50 PHE N N 50 113.909 117.924 -4.015 1
1 557 . 8 1 1 A 50 50 PHE H H 50 6.900 7.697 -0.797 1
1 558 . 8 1 1 A 50 50 PHE CA C 50 59.885 59.837 0.048 1
1 559 . 8 1 1 A 50 50 PHE HA H 50 4.281 4.276 0.005 1
1 560 . 8 1 1 A 50 50 PHE CB C 50 41.527 39.234 2.293 1
1 573 . 8 1 1 A 50 50 PHE C C 50 176.867 175.960 0.907 1
1 574 . 8 1 1 A 51 51 ARG N N 51 120.652 119.255 1.397 1
1 575 . 8 1 1 A 51 51 ARG H H 51 9.059 8.572 0.487 1
1 576 . 8 1 1 A 51 51 ARG CA C 51 51.499 53.882 -2.383 1
1 577 . 8 1 1 A 51 51 ARG HA H 51 4.942 4.848 0.094 1
1 578 . 8 1 1 A 51 51 ARG CB C 51 30.307 30.863 -0.556 1
1 589 . 8 1 1 A 51 51 ARG C C 51 172.670 174.645 -1.975 1
1 590 . 8 1 1 A 52 52 PRO CA C 52 64.948 64.585 0.363 1
1 591 . 8 1 1 A 52 52 PRO HA H 52 4.343 4.773 -0.430 1
1 592 . 8 1 1 A 52 52 PRO CB C 52 31.091 31.976 -0.885 1
1 601 . 8 1 1 A 52 52 PRO C C 52 177.406 177.763 -0.357 1
1 602 . 8 1 1 A 53 53 GLU N N 53 118.219 118.280 -0.061 1
1 603 . 8 1 1 A 53 53 GLU H H 53 9.784 8.319 1.465 1
1 604 . 8 1 1 A 53 53 GLU CA C 53 57.285 59.644 -2.359 1
1 605 . 8 1 1 A 53 53 GLU HA H 53 4.322 4.163 0.159 1
1 606 . 8 1 1 A 53 53 GLU CB C 53 27.771 29.426 -1.655 1
1 612 . 8 1 1 A 53 53 GLU C C 53 177.957 179.022 -1.065 1
1 613 . 8 1 1 A 54 54 LEU N N 54 119.316 118.213 1.103 1
1 614 . 8 1 1 A 54 54 LEU H H 54 8.212 7.532 0.680 1
1 615 . 8 1 1 A 54 54 LEU CA C 54 55.943 56.701 -0.758 1
1 616 . 8 1 1 A 54 54 LEU HA H 54 4.337 4.256 0.081 1
1 617 . 8 1 1 A 54 54 LEU CB C 54 43.122 43.187 -0.065 1
1 630 . 8 1 1 A 54 54 LEU C C 54 177.159 176.978 0.181 1
1 631 . 8 1 1 A 55 55 ILE N N 55 115.493 117.726 -2.233 1
1 632 . 8 1 1 A 55 55 ILE H H 55 6.990 7.366 -0.376 1
1 633 . 8 1 1 A 55 55 ILE CA C 55 59.645 60.038 -0.393 1
1 634 . 8 1 1 A 55 55 ILE HA H 55 4.230 4.877 -0.647 1
1 635 . 8 1 1 A 55 55 ILE CB C 55 43.159 42.240 0.919 1
1 648 . 8 1 1 A 55 55 ILE C C 55 173.302 174.355 -1.053 1
1 649 . 8 1 1 A 56 56 ASN N N 56 124.568 125.193 -0.625 1
1 650 . 8 1 1 A 56 56 ASN H H 56 8.984 8.845 0.139 1
1 651 . 8 1 1 A 56 56 ASN CA C 56 51.198 51.485 -0.287 1
1 652 . 8 1 1 A 56 56 ASN HA H 56 5.100 5.115 -0.015 1
1 653 . 8 1 1 A 56 56 ASN CB C 56 36.452 39.289 -2.837 1
1 659 . 8 1 1 A 56 56 ASN C C 56 175.902 175.362 0.540 1
1 660 . 8 1 1 A 57 57 PHE N N 57 126.548 126.419 0.129 1
1 661 . 8 1 1 A 57 57 PHE H H 57 7.219 8.482 -1.263 1
1 662 . 8 1 1 A 57 57 PHE CA C 57 62.399 62.459 -0.060 1
1 663 . 8 1 1 A 57 57 PHE HA H 57 3.514 3.878 -0.364 1
1 664 . 8 1 1 A 57 57 PHE CB C 57 39.553 39.643 -0.090 1
1 677 . 8 1 1 A 57 57 PHE C C 57 176.597 176.736 -0.139 1
1 678 . 8 1 1 A 58 58 ASP N N 58 116.755 119.889 -3.134 1
1 679 . 8 1 1 A 58 58 ASP H H 58 8.691 8.382 0.309 1
1 680 . 8 1 1 A 58 58 ASP CA C 58 56.635 57.444 -0.809 1
1 681 . 8 1 1 A 58 58 ASP HA H 58 4.324 4.449 -0.125 1
1 682 . 8 1 1 A 58 58 ASP CB C 58 40.262 41.294 -1.032 1
1 685 . 8 1 1 A 58 58 ASP C C 58 176.562 178.093 -1.531 1
1 686 . 8 1 1 A 59 59 SER N N 59 112.320 112.589 -0.269 1
1 687 . 8 1 1 A 59 59 SER H H 59 7.412 7.834 -0.422 1
1 688 . 8 1 1 A 59 59 SER CA C 59 58.740 61.539 -2.799 1
1 689 . 8 1 1 A 59 59 SER HA H 59 4.365 4.400 -0.035 1
1 690 . 8 1 1 A 59 59 SER CB C 59 64.598 63.315 1.283 1
1 693 . 8 1 1 A 59 59 SER C C 59 174.309 175.350 -1.041 1
1 694 . 8 1 1 A 60 60 LEU N N 60 121.693 121.580 0.113 1
1 695 . 8 1 1 A 60 60 LEU H H 60 7.176 7.667 -0.491 1
1 696 . 8 1 1 A 60 60 LEU CA C 60 54.593 55.544 -0.951 1
1 697 . 8 1 1 A 60 60 LEU HA H 60 4.196 4.038 0.158 1
1 698 . 8 1 1 A 60 60 LEU CB C 60 40.943 41.630 -0.687 1
1 711 . 8 1 1 A 60 60 LEU C C 60 176.774 176.690 0.084 1
1 712 . 8 1 1 A 61 61 ASN N N 61 121.648 124.166 -2.518 1
1 713 . 8 1 1 A 61 61 ASN H H 61 9.391 8.594 0.797 1
1 714 . 8 1 1 A 61 61 ASN CA C 61 51.763 52.962 -1.199 1
1 715 . 8 1 1 A 61 61 ASN HA H 61 4.721 4.684 0.037 1
1 716 . 8 1 1 A 61 61 ASN CB C 61 40.025 39.151 0.874 1
1 722 . 8 1 1 A 61 61 ASN C C 61 176.599 176.324 0.275 1
1 723 . 8 1 1 A 62 62 GLU N N 62 126.707 126.053 0.654 1
1 724 . 8 1 1 A 62 62 GLU H H 62 9.255 8.732 0.523 1
1 725 . 8 1 1 A 62 62 GLU CA C 62 58.926 58.958 -0.032 1
1 726 . 8 1 1 A 62 62 GLU HA H 62 3.688 3.931 -0.243 1
1 727 . 8 1 1 A 62 62 GLU CB C 62 29.479 28.916 0.563 1
1 733 . 8 1 1 A 62 62 GLU C C 62 176.196 178.264 -2.068 1
1 734 . 8 1 1 A 63 63 ASP N N 63 116.763 120.742 -3.979 1
1 735 . 8 1 1 A 63 63 ASP H H 63 8.317 7.895 0.422 1
1 736 . 8 1 1 A 63 63 ASP CA C 63 55.499 57.044 -1.545 1
1 737 . 8 1 1 A 63 63 ASP HA H 63 4.509 4.357 0.152 1
1 738 . 8 1 1 A 63 63 ASP CB C 63 40.697 40.591 0.106 1
1 741 . 8 1 1 A 63 63 ASP C C 63 177.195 177.196 -0.001 1
1 742 . 8 1 1 A 64 64 ASP N N 64 123.036 117.726 5.310 1
1 743 . 8 1 1 A 64 64 ASP H H 64 7.422 8.176 -0.754 1
1 744 . 8 1 1 A 64 64 ASP CA C 64 52.760 53.440 -0.680 1
1 745 . 8 1 1 A 64 64 ASP HA H 64 4.949 4.901 0.048 1
1 746 . 8 1 1 A 64 64 ASP CB C 64 38.920 39.123 -0.203 1
1 749 . 8 1 1 A 64 64 ASP C C 64 174.979 176.171 -1.192 1
1 750 . 8 1 1 A 65 65 ALA N N 65 123.411 123.348 0.063 1
1 751 . 8 1 1 A 65 65 ALA H H 65 7.527 8.010 -0.483 1
1 752 . 8 1 1 A 65 65 ALA CA C 65 55.750 55.245 0.505 1
1 753 . 8 1 1 A 65 65 ALA HA H 65 4.295 3.949 0.346 1
1 754 . 8 1 1 A 65 65 ALA CB C 65 19.889 18.583 1.306 1
1 758 . 8 1 1 A 65 65 ALA C C 65 181.114 180.014 1.100 1
1 759 . 8 1 1 A 66 66 VAL N N 66 119.151 118.244 0.907 1
1 760 . 8 1 1 A 66 66 VAL H H 66 8.305 8.127 0.178 1
1 761 . 8 1 1 A 66 66 VAL CA C 66 67.423 67.030 0.393 1
1 762 . 8 1 1 A 66 66 VAL HA H 66 3.292 3.611 -0.319 1
1 763 . 8 1 1 A 66 66 VAL CB C 66 31.418 31.637 -0.219 1
1 773 . 8 1 1 A 66 66 VAL C C 66 177.471 177.896 -0.425 1
1 774 . 8 1 1 A 67 67 GLU N N 67 117.895 118.921 -1.026 1
1 775 . 8 1 1 A 67 67 GLU H H 67 8.256 8.245 0.011 1
1 776 . 8 1 1 A 67 67 GLU CA C 67 59.831 59.617 0.214 1
1 777 . 8 1 1 A 67 67 GLU HA H 67 3.901 3.961 -0.060 1
1 778 . 8 1 1 A 67 67 GLU CB C 67 28.963 29.143 -0.180 1
1 784 . 8 1 1 A 67 67 GLU C C 67 179.796 179.188 0.608 1
1 785 . 8 1 1 A 68 68 ASN N N 68 119.611 118.189 1.422 1
1 786 . 8 1 1 A 68 68 ASN H H 68 9.019 8.403 0.616 1
1 787 . 8 1 1 A 68 68 ASN CA C 68 55.797 56.579 -0.782 1
1 788 . 8 1 1 A 68 68 ASN HA H 68 4.325 4.307 0.018 1
1 789 . 8 1 1 A 68 68 ASN CB C 68 37.140 37.706 -0.566 1
1 795 . 8 1 1 A 68 68 ASN C C 68 177.193 178.128 -0.935 1
1 796 . 8 1 1 A 69 69 ASN N N 69 115.555 117.790 -2.235 1
1 797 . 8 1 1 A 69 69 ASN H H 69 7.589 8.038 -0.449 1
1 798 . 8 1 1 A 69 69 ASN CA C 69 57.155 56.036 1.119 1
1 799 . 8 1 1 A 69 69 ASN HA H 69 3.880 4.158 -0.278 1
1 800 . 8 1 1 A 69 69 ASN CB C 69 40.785 38.358 2.427 1
1 806 . 8 1 1 A 69 69 ASN C C 69 175.062 177.392 -2.330 1
1 807 . 8 1 1 A 70 70 GLN N N 70 115.794 119.479 -3.685 1
1 808 . 8 1 1 A 70 70 GLN H H 70 8.058 7.916 0.142 1
1 809 . 8 1 1 A 70 70 GLN CA C 70 58.400 59.030 -0.630 1
1 810 . 8 1 1 A 70 70 GLN HA H 70 3.591 4.313 -0.722 1
1 811 . 8 1 1 A 70 70 GLN CB C 70 29.420 28.560 0.860 1
1 820 . 8 1 1 A 70 70 GLN C C 70 176.954 177.971 -1.017 1
1 821 . 8 1 1 A 71 71 LEU N N 71 118.631 121.010 -2.379 1
1 822 . 8 1 1 A 71 71 LEU H H 71 8.090 8.416 -0.326 1
1 823 . 8 1 1 A 71 71 LEU CA C 71 58.121 58.487 -0.366 1
1 824 . 8 1 1 A 71 71 LEU HA H 71 4.291 4.008 0.283 1
1 825 . 8 1 1 A 71 71 LEU CB C 71 42.100 41.956 0.144 1
1 838 . 8 1 1 A 71 71 LEU C C 71 177.664 178.153 -0.489 1
1 839 . 8 1 1 A 72 72 ALA N N 72 119.977 120.421 -0.444 1
1 840 . 8 1 1 A 72 72 ALA H H 72 7.274 8.062 -0.788 1
1 841 . 8 1 1 A 72 72 ALA CA C 72 55.807 55.025 0.782 1
1 842 . 8 1 1 A 72 72 ALA HA H 72 3.873 4.091 -0.218 1
1 843 . 8 1 1 A 72 72 ALA CB C 72 18.412 18.317 0.095 1
1 847 . 8 1 1 A 72 72 ALA C C 72 179.676 179.755 -0.079 1
1 848 . 8 1 1 A 73 73 PHE N N 73 115.018 116.015 -0.997 1
1 849 . 8 1 1 A 73 73 PHE H H 73 8.722 7.809 0.913 1
1 850 . 8 1 1 A 73 73 PHE CA C 73 56.889 61.931 -5.042 1
1 851 . 8 1 1 A 73 73 PHE HA H 73 4.848 4.555 0.293 1
1 852 . 8 1 1 A 73 73 PHE CB C 73 37.404 38.781 -1.377 1
1 865 . 8 1 1 A 73 73 PHE C C 73 180.123 178.028 2.095 1
1 866 . 8 1 1 A 74 74 ASP N N 74 122.136 119.484 2.652 1
1 867 . 8 1 1 A 74 74 ASP H H 74 9.262 8.792 0.470 1
1 868 . 8 1 1 A 74 74 ASP CA C 74 57.648 57.672 -0.024 1
1 869 . 8 1 1 A 74 74 ASP HA H 74 4.550 4.383 0.167 1
1 870 . 8 1 1 A 74 74 ASP CB C 74 40.073 41.659 -1.586 1
1 873 . 8 1 1 A 74 74 ASP C C 74 179.818 178.806 1.012 1
1 874 . 8 1 1 A 75 75 VAL N N 75 122.521 118.969 3.552 1
1 875 . 8 1 1 A 75 75 VAL H H 75 9.080 8.605 0.475 1
1 876 . 8 1 1 A 75 75 VAL CA C 75 66.894 66.462 0.432 1
1 877 . 8 1 1 A 75 75 VAL HA H 75 3.611 3.622 -0.011 1
1 878 . 8 1 1 A 75 75 VAL CB C 75 31.943 31.505 0.438 1
1 888 . 8 1 1 A 75 75 VAL C C 75 177.813 178.253 -0.440 1
1 889 . 8 1 1 A 76 76 ALA N N 76 121.109 122.310 -1.201 1
1 890 . 8 1 1 A 76 76 ALA H H 76 8.813 8.398 0.415 1
1 891 . 8 1 1 A 76 76 ALA CA C 76 55.181 55.401 -0.220 1
1 892 . 8 1 1 A 76 76 ALA HA H 76 4.092 4.183 -0.091 1
1 893 . 8 1 1 A 76 76 ALA CB C 76 19.324 18.607 0.717 1
1 897 . 8 1 1 A 76 76 ALA C C 76 180.373 180.517 -0.144 1
1 898 . 8 1 1 A 77 77 GLU N N 77 120.309 118.417 1.892 1
1 899 . 8 1 1 A 77 77 GLU H H 77 8.257 8.448 -0.191 1
1 900 . 8 1 1 A 77 77 GLU CA C 77 59.818 58.664 1.154 1
1 901 . 8 1 1 A 77 77 GLU HA H 77 3.982 4.223 -0.241 1
1 902 . 8 1 1 A 77 77 GLU CB C 77 30.530 29.723 0.807 1
1 908 . 8 1 1 A 77 77 GLU C C 77 178.591 178.477 0.114 1
1 909 . 8 1 1 A 78 78 ARG N N 78 119.060 119.688 -0.628 1
1 910 . 8 1 1 A 78 78 ARG H H 78 8.325 8.034 0.291 1
1 911 . 8 1 1 A 78 78 ARG CA C 78 59.232 57.941 1.291 1
1 912 . 8 1 1 A 78 78 ARG HA H 78 4.048 4.300 -0.252 1
1 913 . 8 1 1 A 78 78 ARG CB C 78 31.462 30.695 0.767 1
1 924 . 8 1 1 A 78 78 ARG C C 78 178.327 178.248 0.079 1
1 925 . 8 1 1 A 79 79 GLU N N 79 114.012 118.517 -4.505 1
1 926 . 8 1 1 A 79 79 GLU H H 79 8.878 8.557 0.321 1
1 927 . 8 1 1 A 79 79 GLU CA C 79 56.599 58.492 -1.893 1
1 928 . 8 1 1 A 79 79 GLU HA H 79 4.329 4.118 0.211 1
1 929 . 8 1 1 A 79 79 GLU CB C 79 28.771 30.164 -1.393 1
1 935 . 8 1 1 A 79 79 GLU C C 79 178.301 178.291 0.010 1
1 936 . 8 1 1 A 80 80 PHE N N 80 113.394 117.207 -3.813 1
1 937 . 8 1 1 A 80 80 PHE H H 80 6.906 7.359 -0.453 1
1 938 . 8 1 1 A 80 80 PHE CA C 80 53.518 58.015 -4.497 1
1 939 . 8 1 1 A 80 80 PHE HA H 80 5.246 4.528 0.718 1
1 940 . 8 1 1 A 80 80 PHE CB C 80 39.910 39.244 0.666 1
1 953 . 8 1 1 A 80 80 PHE C C 80 176.487 176.148 0.339 1
1 954 . 8 1 1 A 81 81 GLY N N 81 108.698 109.003 -0.305 1
1 955 . 8 1 1 A 81 81 GLY H H 81 7.352 8.111 -0.759 1
1 956 . 8 1 1 A 81 81 GLY CA C 81 46.520 46.456 0.064 1
1 957 . 8 1 1 A 81 81 GLY HA2 H 81 3.975 3.982 -0.007 1
1 958 . 8 1 1 A 81 81 GLY HA3 H 81 3.975 3.990 -0.015 1
1 959 . 8 1 1 A 81 81 GLY C C 81 174.711 174.592 0.119 1
1 960 . 8 1 1 A 82 82 ILE N N 82 122.486 122.537 -0.051 1
1 961 . 8 1 1 A 82 82 ILE H H 82 7.507 7.921 -0.414 1
1 962 . 8 1 1 A 82 82 ILE CA C 82 58.810 58.186 0.624 1
1 963 . 8 1 1 A 82 82 ILE HA H 82 4.285 4.288 -0.003 1
1 964 . 8 1 1 A 82 82 ILE CB C 82 39.376 38.813 0.563 1
1 977 . 8 1 1 A 82 82 ILE C C 82 172.836 175.059 -2.223 1
1 978 . 8 1 1 A 83 83 PRO CA C 83 60.989 62.095 -1.106 1
1 979 . 8 1 1 A 83 83 PRO HA H 83 4.589 4.696 -0.107 1
1 980 . 8 1 1 A 83 83 PRO CB C 83 31.107 32.327 -1.220 1
1 989 . 8 1 1 A 84 84 PRO CA C 84 62.860 62.418 0.442 1
1 990 . 8 1 1 A 84 84 PRO HA H 84 4.405 4.541 -0.136 1
1 991 . 8 1 1 A 84 84 PRO CB C 84 32.638 31.734 0.904 1
1 1000 . 8 1 1 A 84 84 PRO C C 84 177.894 177.488 0.406 1
1 1001 . 8 1 1 A 85 85 VAL N N 85 114.062 118.835 -4.773 1
1 1002 . 8 1 1 A 85 85 VAL H H 85 6.621 8.047 -1.426 1
1 1003 . 8 1 1 A 85 85 VAL CA C 85 61.000 64.601 -3.601 1
1 1004 . 8 1 1 A 85 85 VAL HA H 85 4.080 3.760 0.320 1
1 1005 . 8 1 1 A 85 85 VAL CB C 85 32.725 31.907 0.818 1
1 1015 . 8 1 1 A 85 85 VAL C C 85 174.315 175.535 -1.220 1
1 1016 . 8 1 1 A 86 86 THR N N 86 114.774 114.205 0.569 1
1 1017 . 8 1 1 A 86 86 THR H H 86 6.827 7.338 -0.511 1
1 1018 . 8 1 1 A 86 86 THR CA C 86 59.336 59.313 0.023 1
1 1019 . 8 1 1 A 86 86 THR HA H 86 4.442 4.640 -0.198 1
1 1020 . 8 1 1 A 86 86 THR CB C 86 68.016 71.879 -3.863 1
1 1026 . 8 1 1 A 86 86 THR C C 86 172.724 172.694 0.030 1
1 1027 . 8 1 1 A 87 87 THR N N 87 109.655 116.270 -6.615 1
1 1028 . 8 1 1 A 87 87 THR H H 87 8.313 8.597 -0.284 1
1 1029 . 8 1 1 A 87 87 THR CA C 87 59.870 60.306 -0.436 1
1 1030 . 8 1 1 A 87 87 THR HA H 87 5.000 4.611 0.389 1
1 1031 . 8 1 1 A 87 87 THR CB C 87 72.527 70.347 2.180 1
1 1037 . 8 1 1 A 87 87 THR C C 87 176.440 175.780 0.660 1
1 1038 . 8 1 1 A 88 88 GLY N N 88 110.531 110.793 -0.262 1
1 1039 . 8 1 1 A 88 88 GLY H H 88 9.655 9.008 0.647 1
1 1040 . 8 1 1 A 88 88 GLY CA C 88 49.124 47.632 1.492 1
1 1041 . 8 1 1 A 88 88 GLY HA2 H 88 4.115 3.992 0.123 1
1 1042 . 8 1 1 A 88 88 GLY HA3 H 88 3.755 4.115 -0.360 1
1 1043 . 8 1 1 A 88 88 GLY C C 88 175.154 175.772 -0.618 1
1 1044 . 8 1 1 A 89 89 LYS N N 89 119.606 121.673 -2.067 1
1 1045 . 8 1 1 A 89 89 LYS H H 89 8.542 8.107 0.435 1
1 1046 . 8 1 1 A 89 89 LYS CA C 89 59.687 59.618 0.069 1
1 1047 . 8 1 1 A 89 89 LYS HA H 89 4.030 4.000 0.030 1
1 1048 . 8 1 1 A 89 89 LYS CB C 89 32.733 32.356 0.377 1
1 1060 . 8 1 1 A 89 89 LYS C C 89 178.921 179.009 -0.088 1
1 1061 . 8 1 1 A 90 90 GLU N N 90 118.992 119.628 -0.636 1
1 1062 . 8 1 1 A 90 90 GLU H H 90 7.610 7.946 -0.336 1
1 1063 . 8 1 1 A 90 90 GLU CA C 90 59.238 59.612 -0.374 1
1 1064 . 8 1 1 A 90 90 GLU HA H 90 4.008 4.055 -0.047 1
1 1065 . 8 1 1 A 90 90 GLU CB C 90 29.946 28.898 1.048 1
1 1071 . 8 1 1 A 90 90 GLU C C 90 179.366 178.680 0.686 1
1 1072 . 8 1 1 A 91 91 MET N N 91 120.109 119.005 1.104 1
1 1073 . 8 1 1 A 91 91 MET H H 91 8.468 8.542 -0.074 1
1 1074 . 8 1 1 A 91 91 MET CA C 91 57.606 58.605 -0.999 1
1 1075 . 8 1 1 A 91 91 MET HA H 91 4.355 4.052 0.303 1
1 1076 . 8 1 1 A 91 91 MET CB C 91 32.364 32.359 0.005 1
1 1086 . 8 1 1 A 91 91 MET C C 91 177.168 178.155 -0.987 1
1 1087 . 8 1 1 A 92 92 ALA N N 92 115.912 121.772 -5.860 1
1 1088 . 8 1 1 A 92 92 ALA H H 92 7.876 7.855 0.021 1
1 1089 . 8 1 1 A 92 92 ALA CA C 92 53.278 54.678 -1.400 1
1 1090 . 8 1 1 A 92 92 ALA HA H 92 4.316 4.532 -0.216 1
1 1091 . 8 1 1 A 92 92 ALA CB C 92 20.275 18.732 1.543 1
1 1095 . 8 1 1 A 92 92 ALA C C 92 178.672 179.746 -1.074 1
1 1096 . 8 1 1 A 93 93 SER N N 93 111.760 113.051 -1.291 1
1 1097 . 8 1 1 A 93 93 SER H H 93 7.431 8.515 -1.084 1
1 1098 . 8 1 1 A 93 93 SER CA C 93 58.584 61.498 -2.914 1
1 1099 . 8 1 1 A 93 93 SER HA H 93 4.471 4.108 0.363 1
1 1100 . 8 1 1 A 93 93 SER CB C 93 64.582 63.186 1.396 1
1 1103 . 8 1 1 A 93 93 SER C C 93 173.576 176.167 -2.591 1
1 1104 . 8 1 1 A 94 94 ALA N N 94 123.381 123.089 0.292 1
1 1105 . 8 1 1 A 94 94 ALA H H 94 7.903 8.053 -0.150 1
1 1106 . 8 1 1 A 94 94 ALA CA C 94 52.760 52.990 -0.230 1
1 1107 . 8 1 1 A 94 94 ALA HA H 94 4.267 4.131 0.136 1
1 1108 . 8 1 1 A 94 94 ALA CB C 94 18.364 19.247 -0.883 1
1 1112 . 8 1 1 A 94 94 ALA C C 94 177.611 178.594 -0.983 1
1 1113 . 8 1 1 A 95 95 GLN N N 95 120.874 123.892 -3.018 1
1 1114 . 8 1 1 A 95 95 GLN H H 95 8.305 8.694 -0.389 1
1 1115 . 8 1 1 A 95 95 GLN CA C 95 56.821 58.888 -2.067 1
1 1116 . 8 1 1 A 95 95 GLN HA H 95 4.185 4.128 0.057 1
1 1117 . 8 1 1 A 95 95 GLN CB C 95 29.052 28.183 0.869 1
1 1126 . 8 1 1 A 95 95 GLN C C 95 175.975 175.666 0.309 1
1 1127 . 8 1 1 A 96 96 GLU N N 96 120.251 119.549 0.702 1
1 1128 . 8 1 1 A 96 96 GLU H H 96 8.402 7.911 0.491 1
1 1129 . 8 1 1 A 96 96 GLU CA C 96 54.378 53.271 1.107 1
1 1130 . 8 1 1 A 96 96 GLU HA H 96 4.537 4.715 -0.178 1
1 1131 . 8 1 1 A 96 96 GLU CB C 96 30.216 31.010 -0.794 1
1 1137 . 8 1 1 A 96 96 GLU C C 96 173.618 173.845 -0.227 1
1 1138 . 8 1 1 A 97 97 PRO CA C 97 62.763 62.362 0.401 1
1 1139 . 8 1 1 A 97 97 PRO HA H 97 4.362 4.594 -0.232 1
1 1140 . 8 1 1 A 97 97 PRO CB C 97 32.356 32.745 -0.389 1
1 1149 . 8 1 1 A 97 97 PRO C C 97 174.841 175.870 -1.029 1
1 1150 . 8 1 1 A 98 98 ASP N N 98 120.272 121.018 -0.746 1
1 1151 . 8 1 1 A 98 98 ASP H H 98 8.396 8.589 -0.193 1
1 1152 . 8 1 1 A 98 98 ASP CA C 98 54.555 54.500 0.055 1
1 1153 . 8 1 1 A 98 98 ASP HA H 98 4.409 4.606 -0.197 1
1 1154 . 8 1 1 A 98 98 ASP CB C 98 42.248 41.265 0.983 1
1 1157 . 8 1 1 A 98 98 ASP C C 98 176.253 177.876 -1.623 1
1 1158 . 8 1 1 A 99 99 LYS N N 99 126.808 123.454 3.354 1
1 1159 . 8 1 1 A 99 99 LYS H H 99 8.454 8.666 -0.212 1
1 1160 . 8 1 1 A 99 99 LYS CA C 99 60.158 59.039 1.119 1
1 1161 . 8 1 1 A 99 99 LYS HA H 99 3.705 4.020 -0.315 1
1 1162 . 8 1 1 A 99 99 LYS CB C 99 32.832 32.222 0.610 1
1 1174 . 8 1 1 A 99 99 LYS C C 99 177.621 178.639 -1.018 1
1 1175 . 8 1 1 A 100 100 LEU N N 100 118.450 121.548 -3.098 1
1 1176 . 8 1 1 A 100 100 LEU H H 100 8.160 8.050 0.110 1
1 1177 . 8 1 1 A 100 100 LEU CA C 100 58.094 57.901 0.193 1
1 1178 . 8 1 1 A 100 100 LEU HA H 100 4.020 3.930 0.090 1
1 1179 . 8 1 1 A 100 100 LEU CB C 100 40.800 41.893 -1.093 1
1 1192 . 8 1 1 A 100 100 LEU C C 100 179.776 178.867 0.909 1
1 1193 . 8 1 1 A 101 101 SER N N 101 115.644 113.783 1.861 1
1 1194 . 8 1 1 A 101 101 SER H H 101 8.047 8.111 -0.064 1
1 1195 . 8 1 1 A 101 101 SER CA C 101 61.765 62.252 -0.487 1
1 1196 . 8 1 1 A 101 101 SER HA H 101 4.174 4.094 0.080 1
1 1197 . 8 1 1 A 101 101 SER CB C 101 62.609 62.773 -0.164 1
1 1200 . 8 1 1 A 101 101 SER C C 101 176.476 176.726 -0.250 1
1 1201 . 8 1 1 A 102 102 MET N N 102 120.653 120.148 0.505 1
1 1202 . 8 1 1 A 102 102 MET H H 102 8.027 7.865 0.162 1
1 1203 . 8 1 1 A 102 102 MET CA C 102 56.380 58.142 -1.762 1
1 1204 . 8 1 1 A 102 102 MET HA H 102 4.508 4.133 0.375 1
1 1205 . 8 1 1 A 102 102 MET CB C 102 30.731 32.673 -1.942 1
1 1215 . 8 1 1 A 102 102 MET C C 102 178.903 178.585 0.318 1
1 1216 . 8 1 1 A 103 103 VAL N N 103 119.836 119.640 0.196 1
1 1217 . 8 1 1 A 103 103 VAL H H 103 8.556 8.124 0.432 1
1 1218 . 8 1 1 A 103 103 VAL CA C 103 67.049 66.706 0.343 1
1 1219 . 8 1 1 A 103 103 VAL HA H 103 3.370 3.488 -0.118 1
1 1220 . 8 1 1 A 103 103 VAL CB C 103 31.583 31.502 0.081 1
1 1230 . 8 1 1 A 103 103 VAL C C 103 179.225 177.724 1.501 1
1 1231 . 8 1 1 A 104 104 MET N N 104 120.390 119.185 1.205 1
1 1232 . 8 1 1 A 104 104 MET H H 104 8.112 8.747 -0.635 1
1 1233 . 8 1 1 A 104 104 MET CA C 104 58.991 58.372 0.619 1
1 1234 . 8 1 1 A 104 104 MET HA H 104 4.047 4.260 -0.213 1
1 1235 . 8 1 1 A 104 104 MET CB C 104 31.979 32.316 -0.337 1
1 1245 . 8 1 1 A 104 104 MET C C 104 178.210 178.049 0.161 1
1 1246 . 8 1 1 A 105 105 TYR N N 105 120.956 122.551 -1.595 1
1 1247 . 8 1 1 A 105 105 TYR H H 105 8.185 8.089 0.096 1
1 1248 . 8 1 1 A 105 105 TYR CA C 105 61.449 61.761 -0.312 1
1 1249 . 8 1 1 A 105 105 TYR HA H 105 4.317 4.154 0.163 1
1 1250 . 8 1 1 A 105 105 TYR CB C 105 40.259 38.790 1.469 1
1 1261 . 8 1 1 A 105 105 TYR C C 105 177.805 177.442 0.363 1
1 1262 . 8 1 1 A 106 106 LEU N N 106 116.468 120.920 -4.452 1
1 1263 . 8 1 1 A 106 106 LEU H H 106 9.088 8.655 0.433 1
1 1264 . 8 1 1 A 106 106 LEU CA C 106 57.744 58.009 -0.265 1
1 1265 . 8 1 1 A 106 106 LEU HA H 106 4.139 4.076 0.063 1
1 1266 . 8 1 1 A 106 106 LEU CB C 106 42.285 41.234 1.051 1
1 1279 . 8 1 1 A 106 106 LEU C C 106 180.758 179.157 1.601 1
1 1280 . 8 1 1 A 107 107 SER N N 107 114.570 114.405 0.165 1
1 1281 . 8 1 1 A 107 107 SER H H 107 8.338 8.410 -0.072 1
1 1282 . 8 1 1 A 107 107 SER CA C 107 63.030 62.327 0.703 1
1 1283 . 8 1 1 A 107 107 SER HA H 107 4.016 4.042 -0.026 1
1 1284 . 8 1 1 A 107 107 SER CB C 107 62.866 62.874 -0.008 1
1 1287 . 8 1 1 A 107 107 SER C C 107 175.377 176.616 -1.239 1
1 1288 . 8 1 1 A 108 108 LYS N N 108 120.221 121.611 -1.390 1
1 1289 . 8 1 1 A 108 108 LYS H H 108 7.522 7.986 -0.464 1
1 1290 . 8 1 1 A 108 108 LYS CA C 108 58.870 59.184 -0.314 1
1 1291 . 8 1 1 A 108 108 LYS HA H 108 3.910 3.806 0.104 1
1 1292 . 8 1 1 A 108 108 LYS CB C 108 31.719 31.864 -0.145 1
1 1304 . 8 1 1 A 108 108 LYS C C 108 179.587 179.362 0.225 1
1 1305 . 8 1 1 A 109 109 PHE N N 109 118.900 119.263 -0.363 1
1 1306 . 8 1 1 A 109 109 PHE H H 109 7.282 8.091 -0.809 1
1 1307 . 8 1 1 A 109 109 PHE CA C 109 61.501 60.297 1.204 1
1 1308 . 8 1 1 A 109 109 PHE HA H 109 3.550 3.965 -0.415 1
1 1309 . 8 1 1 A 109 109 PHE CB C 109 38.201 38.486 -0.285 1
1 1322 . 8 1 1 A 109 109 PHE C C 109 176.181 177.869 -1.688 1
1 1323 . 8 1 1 A 110 110 TYR N N 110 120.089 119.393 0.696 1
1 1324 . 8 1 1 A 110 110 TYR H H 110 7.417 8.254 -0.837 1
1 1325 . 8 1 1 A 110 110 TYR CA C 110 60.263 61.534 -1.271 1
1 1326 . 8 1 1 A 110 110 TYR HA H 110 2.584 2.962 -0.378 1
1 1327 . 8 1 1 A 110 110 TYR CB C 110 38.138 38.282 -0.144 1
1 1338 . 8 1 1 A 110 110 TYR C C 110 176.298 177.213 -0.915 1
1 1339 . 8 1 1 A 111 111 GLU N N 111 115.750 117.856 -2.106 1
1 1340 . 8 1 1 A 111 111 GLU H H 111 7.899 7.934 -0.035 1
1 1341 . 8 1 1 A 111 111 GLU CA C 111 58.712 58.637 0.075 1
1 1342 . 8 1 1 A 111 111 GLU HA H 111 3.528 3.621 -0.093 1
1 1343 . 8 1 1 A 111 111 GLU CB C 111 29.429 29.645 -0.216 1
1 1349 . 8 1 1 A 111 111 GLU C C 111 178.367 178.555 -0.188 1
1 1350 . 8 1 1 A 112 112 LEU N N 112 118.646 121.565 -2.919 1
1 1351 . 8 1 1 A 112 112 LEU H H 112 6.922 7.633 -0.711 1
1 1352 . 8 1 1 A 112 112 LEU CA C 112 57.107 57.946 -0.839 1
1 1353 . 8 1 1 A 112 112 LEU HA H 112 3.775 3.715 0.060 1
1 1354 . 8 1 1 A 112 112 LEU CB C 112 42.499 41.079 1.420 1
1 1367 . 8 1 1 A 112 112 LEU C C 112 178.820 178.078 0.742 1
1 1368 . 8 1 1 A 113 113 PHE N N 113 114.884 115.389 -0.505 1
1 1369 . 8 1 1 A 113 113 PHE H H 113 7.723 8.070 -0.347 1
1 1370 . 8 1 1 A 113 113 PHE CA C 113 57.108 59.854 -2.746 1
1 1371 . 8 1 1 A 113 113 PHE HA H 113 4.495 4.201 0.294 1
1 1372 . 8 1 1 A 113 113 PHE CB C 113 38.324 39.510 -1.186 1
1 1385 . 8 1 1 A 113 113 PHE C C 113 177.445 176.878 0.567 1
1 1386 . 8 1 1 A 114 114 ARG N N 114 119.913 117.650 2.263 1
1 1387 . 8 1 1 A 114 114 ARG H H 114 7.840 8.027 -0.187 1
1 1388 . 8 1 1 A 114 114 ARG CA C 114 57.747 55.873 1.874 1
1 1389 . 8 1 1 A 114 114 ARG HA H 114 4.164 4.272 -0.108 1
1 1390 . 8 1 1 A 114 114 ARG CB C 114 28.994 29.964 -0.970 1
1 1399 . 8 1 1 A 114 114 ARG C C 114 177.051 175.576 1.475 1
1 1400 . 8 1 1 A 115 115 GLY N N 115 108.376 112.686 -4.310 1
1 1401 . 8 1 1 A 115 115 GLY H H 115 8.070 8.301 -0.231 1
1 1402 . 8 1 1 A 115 115 GLY CA C 115 45.201 46.094 -0.893 1
1 1403 . 8 1 1 A 115 115 GLY HA2 H 115 3.873 4.165 -0.292 1
1 1404 . 8 1 1 A 115 115 GLY HA3 H 115 3.988 4.182 -0.194 1
1 1405 . 8 1 1 A 115 115 GLY C C 115 173.987 171.616 2.371 1
1 1406 . 8 1 1 A 116 116 THR N N 116 116.618 114.519 2.099 1
1 1407 . 8 1 1 A 116 116 THR H H 116 7.858 8.011 -0.153 1
1 1408 . 8 1 1 A 116 116 THR CA C 116 60.032 58.250 1.782 1
1 1409 . 8 1 1 A 116 116 THR HA H 116 4.620 4.920 -0.300 1
1 1410 . 8 1 1 A 116 116 THR CB C 116 70.082 72.345 -2.263 1
1 1416 . 8 1 1 A 116 116 THR C C 116 172.615 171.747 0.868 1
1 1417 . 8 1 1 A 117 117 PRO CA C 117 63.086 62.905 0.181 1
1 1418 . 8 1 1 A 117 117 PRO HA H 117 4.451 4.680 -0.229 1
1 1419 . 8 1 1 A 117 117 PRO CB C 117 32.220 32.590 -0.370 1
1 1428 . 8 1 1 A 117 117 PRO C C 117 176.812 176.594 0.218 1
1 1429 . 8 1 1 A 118 118 LEU N N 118 122.695 118.033 4.662 1
1 1430 . 8 1 1 A 118 118 LEU H H 118 8.424 8.423 0.001 1
1 1431 . 8 1 1 A 118 118 LEU CA C 118 55.266 52.889 2.377 1
1 1432 . 8 1 1 A 118 118 LEU HA H 118 4.276 4.891 -0.615 1
1 1433 . 8 1 1 A 118 118 LEU CB C 118 42.339 43.703 -1.364 1
1 1446 . 8 1 1 A 118 118 LEU C C 118 177.027 175.815 1.212 1
1 1447 . 8 1 1 A 119 119 ARG N N 119 122.979 120.490 2.489 1
1 1448 . 8 1 1 A 119 119 ARG H H 119 8.250 8.885 -0.635 1
1 1449 . 8 1 1 A 119 119 ARG CA C 119 53.688 52.662 1.026 1
1 1450 . 8 1 1 A 119 119 ARG HA H 119 4.644 4.862 -0.218 1
1 1451 . 8 1 1 A 119 119 ARG CB C 119 30.469 32.879 -2.410 1
1 1460 . 8 1 1 A 119 119 ARG C C 119 174.019 173.654 0.365 1
1 1461 . 8 1 1 A 120 120 PRO CA C 120 63.366 62.669 0.697 1
1 1462 . 8 1 1 A 120 120 PRO HA H 120 4.440 4.722 -0.282 1
1 1463 . 8 1 1 A 120 120 PRO CB C 120 31.958 31.910 0.048 1
1 1472 . 8 1 1 A 120 120 PRO C C 120 176.104 176.998 -0.894 1
1 1 . 9 1 1 A 6 6 SER CA C 6 58.867 58.742 0.125 1
1 2 . 9 1 1 A 6 6 SER HA H 6 4.432 4.396 0.036 1
1 3 . 9 1 1 A 6 6 SER CB C 6 63.603 63.724 -0.121 1
1 6 . 9 1 1 A 6 6 SER C C 6 175.018 174.080 0.938 1
1 7 . 9 1 1 A 7 7 GLY N N 7 110.530 113.304 -2.774 1
1 8 . 9 1 1 A 7 7 GLY H H 7 8.382 8.275 0.107 1
1 9 . 9 1 1 A 7 7 GLY CA C 7 45.311 44.788 0.523 1
1 10 . 9 1 1 A 7 7 GLY HA2 H 7 3.922 4.061 -0.139 1
1 11 . 9 1 1 A 7 7 GLY HA3 H 7 3.922 4.061 -0.139 1
1 12 . 9 1 1 A 7 7 GLY C C 7 173.740 173.169 0.571 1
1 13 . 9 1 1 A 8 8 ASP N N 8 120.471 119.772 0.699 1
1 14 . 9 1 1 A 8 8 ASP H H 8 8.121 8.273 -0.152 1
1 15 . 9 1 1 A 8 8 ASP CA C 8 54.214 53.346 0.868 1
1 16 . 9 1 1 A 8 8 ASP HA H 8 4.560 4.620 -0.060 1
1 17 . 9 1 1 A 8 8 ASP CB C 8 41.172 42.064 -0.892 1
1 20 . 9 1 1 A 8 8 ASP C C 8 176.082 175.566 0.516 1
1 21 . 9 1 1 A 9 9 ILE N N 9 121.785 121.758 0.027 1
1 22 . 9 1 1 A 9 9 ILE H H 9 8.115 8.342 -0.227 1
1 23 . 9 1 1 A 9 9 ILE CA C 9 60.327 59.623 0.704 1
1 24 . 9 1 1 A 9 9 ILE HA H 9 4.083 4.789 -0.706 1
1 25 . 9 1 1 A 9 9 ILE CB C 9 38.394 40.457 -2.063 1
1 38 . 9 1 1 A 9 9 ILE C C 9 175.579 175.917 -0.338 1
1 39 . 9 1 1 A 10 10 ARG N N 10 125.977 125.273 0.704 1
1 40 . 9 1 1 A 10 10 ARG H H 10 8.319 8.953 -0.634 1
1 41 . 9 1 1 A 10 10 ARG CA C 10 54.661 60.593 -5.932 1
1 42 . 9 1 1 A 10 10 ARG HA H 10 4.493 4.079 0.414 1
1 43 . 9 1 1 A 10 10 ARG CB C 10 29.730 30.163 -0.433 1
1 52 . 9 1 1 A 10 10 ARG C C 10 175.511 176.361 -0.850 1
1 53 . 9 1 1 A 11 11 PRO CA C 11 65.595 66.281 -0.686 1
1 54 . 9 1 1 A 11 11 PRO HA H 11 4.064 4.268 -0.204 1
1 55 . 9 1 1 A 11 11 PRO CB C 11 31.690 30.569 1.121 1
1 64 . 9 1 1 A 12 12 SER CA C 12 60.656 61.548 -0.892 1
1 65 . 9 1 1 A 12 12 SER HA H 12 4.194 4.208 -0.014 1
1 66 . 9 1 1 A 12 12 SER CB C 12 62.321 63.009 -0.688 1
1 69 . 9 1 1 A 13 13 LYS H H 13 7.510 7.898 -0.388 1
1 70 . 9 1 1 A 13 13 LYS CA C 13 58.585 59.433 -0.848 1
1 71 . 9 1 1 A 13 13 LYS HA H 13 4.186 4.088 0.098 1
1 72 . 9 1 1 A 13 13 LYS CB C 13 32.274 31.906 0.368 1
1 84 . 9 1 1 A 13 13 LYS C C 13 179.028 178.495 0.533 1
1 85 . 9 1 1 A 14 14 LEU N N 14 121.315 120.763 0.552 1
1 86 . 9 1 1 A 14 14 LEU H H 14 7.968 8.003 -0.035 1
1 87 . 9 1 1 A 14 14 LEU CA C 14 57.648 58.129 -0.481 1
1 88 . 9 1 1 A 14 14 LEU HA H 14 3.889 3.790 0.099 1
1 89 . 9 1 1 A 14 14 LEU CB C 14 42.171 41.416 0.755 1
1 102 . 9 1 1 A 14 14 LEU C C 14 178.689 178.457 0.232 1
1 103 . 9 1 1 A 15 15 LEU N N 15 120.526 119.915 0.611 1
1 104 . 9 1 1 A 15 15 LEU H H 15 8.546 8.202 0.344 1
1 105 . 9 1 1 A 15 15 LEU CA C 15 59.227 58.482 0.745 1
1 106 . 9 1 1 A 15 15 LEU HA H 15 4.038 4.107 -0.069 1
1 107 . 9 1 1 A 15 15 LEU CB C 15 40.993 41.884 -0.891 1
1 120 . 9 1 1 A 15 15 LEU C C 15 178.020 178.624 -0.604 1
1 121 . 9 1 1 A 16 16 THR N N 16 114.667 113.899 0.768 1
1 122 . 9 1 1 A 16 16 THR H H 16 7.945 8.015 -0.070 1
1 123 . 9 1 1 A 16 16 THR CA C 16 66.778 66.486 0.292 1
1 124 . 9 1 1 A 16 16 THR HA H 16 4.162 3.935 0.227 1
1 125 . 9 1 1 A 16 16 THR CB C 16 68.914 68.446 0.468 1
1 131 . 9 1 1 A 16 16 THR C C 16 176.419 176.651 -0.232 1
1 132 . 9 1 1 A 17 17 TRP N N 17 122.548 121.361 1.187 1
1 133 . 9 1 1 A 17 17 TRP H H 17 8.242 8.270 -0.028 1
1 134 . 9 1 1 A 17 17 TRP CA C 17 63.006 61.586 1.420 1
1 135 . 9 1 1 A 17 17 TRP HA H 17 4.442 4.262 0.180 1
1 136 . 9 1 1 A 17 17 TRP CB C 17 28.530 29.989 -1.459 1
1 151 . 9 1 1 A 17 17 TRP C C 17 178.678 177.853 0.825 1
1 152 . 9 1 1 A 18 18 CYS N N 18 117.202 116.770 0.432 1
1 153 . 9 1 1 A 18 18 CYS H H 18 8.993 8.020 0.973 1
1 154 . 9 1 1 A 18 18 CYS CA C 18 64.830 63.462 1.368 1
1 155 . 9 1 1 A 18 18 CYS HA H 18 3.855 4.040 -0.185 1
1 156 . 9 1 1 A 18 18 CYS CB C 18 27.945 27.376 0.569 1
1 159 . 9 1 1 A 18 18 CYS C C 18 178.411 177.225 1.186 1
1 160 . 9 1 1 A 19 19 GLN N N 19 120.296 119.890 0.406 1
1 161 . 9 1 1 A 19 19 GLN H H 19 8.696 8.551 0.145 1
1 162 . 9 1 1 A 19 19 GLN CA C 19 59.705 59.318 0.387 1
1 163 . 9 1 1 A 19 19 GLN HA H 19 3.654 3.983 -0.329 1
1 164 . 9 1 1 A 19 19 GLN CB C 19 27.820 28.039 -0.219 1
1 173 . 9 1 1 A 19 19 GLN C C 19 177.957 178.757 -0.800 1
1 174 . 9 1 1 A 20 20 GLN N N 20 119.247 118.601 0.646 1
1 175 . 9 1 1 A 20 20 GLN H H 20 8.306 8.161 0.145 1
1 176 . 9 1 1 A 20 20 GLN CA C 20 58.838 59.010 -0.172 1
1 177 . 9 1 1 A 20 20 GLN HA H 20 4.016 3.926 0.090 1
1 178 . 9 1 1 A 20 20 GLN CB C 20 28.000 28.186 -0.186 1
1 187 . 9 1 1 A 20 20 GLN C C 20 179.476 178.607 0.869 1
1 188 . 9 1 1 A 21 21 GLN N N 21 113.337 118.795 -5.458 1
1 189 . 9 1 1 A 21 21 GLN H H 21 7.999 7.784 0.215 1
1 190 . 9 1 1 A 21 21 GLN CA C 21 55.909 58.816 -2.907 1
1 191 . 9 1 1 A 21 21 GLN HA H 21 4.043 3.862 0.181 1
1 192 . 9 1 1 A 21 21 GLN CB C 21 27.676 27.905 -0.229 1
1 201 . 9 1 1 A 21 21 GLN C C 21 177.394 177.288 0.106 1
1 202 . 9 1 1 A 22 22 THR N N 22 103.485 107.742 -4.257 1
1 203 . 9 1 1 A 22 22 THR H H 22 7.119 7.601 -0.482 1
1 204 . 9 1 1 A 22 22 THR CA C 22 61.272 61.655 -0.383 1
1 205 . 9 1 1 A 22 22 THR HA H 22 4.092 4.512 -0.420 1
1 206 . 9 1 1 A 22 22 THR CB C 22 69.448 68.939 0.509 1
1 212 . 9 1 1 A 22 22 THR C C 22 174.644 173.821 0.823 1
1 213 . 9 1 1 A 23 23 GLU N N 23 125.366 123.623 1.743 1
1 214 . 9 1 1 A 23 23 GLU H H 23 6.949 7.661 -0.712 1
1 215 . 9 1 1 A 23 23 GLU CA C 23 58.389 57.055 1.334 1
1 216 . 9 1 1 A 23 23 GLU HA H 23 3.999 4.306 -0.307 1
1 217 . 9 1 1 A 23 23 GLU CB C 23 29.683 30.378 -0.695 1
1 223 . 9 1 1 A 23 23 GLU C C 23 177.061 177.270 -0.209 1
1 224 . 9 1 1 A 24 24 GLY N N 24 112.717 114.712 -1.995 1
1 225 . 9 1 1 A 24 24 GLY H H 24 8.732 8.923 -0.191 1
1 226 . 9 1 1 A 24 24 GLY CA C 24 45.326 45.008 0.318 1
1 227 . 9 1 1 A 24 24 GLY HA2 H 24 3.988 3.873 0.115 1
1 228 . 9 1 1 A 24 24 GLY HA3 H 24 3.538 3.923 -0.385 1
1 229 . 9 1 1 A 24 24 GLY C C 24 174.531 173.925 0.606 1
1 230 . 9 1 1 A 25 25 TYR N N 25 120.189 119.871 0.318 1
1 231 . 9 1 1 A 25 25 TYR H H 25 7.488 7.744 -0.256 1
1 232 . 9 1 1 A 25 25 TYR CA C 25 59.028 58.259 0.769 1
1 233 . 9 1 1 A 25 25 TYR HA H 25 3.947 4.223 -0.276 1
1 234 . 9 1 1 A 25 25 TYR CB C 25 37.202 38.759 -1.557 1
1 245 . 9 1 1 A 25 25 TYR C C 25 176.354 175.428 0.926 1
1 246 . 9 1 1 A 26 26 GLN N N 26 125.301 122.607 2.694 1
1 247 . 9 1 1 A 26 26 GLN H H 26 8.877 8.508 0.369 1
1 248 . 9 1 1 A 26 26 GLN CA C 26 56.923 55.286 1.637 1
1 249 . 9 1 1 A 26 26 GLN HA H 26 3.866 4.582 -0.716 1
1 250 . 9 1 1 A 26 26 GLN CB C 26 28.808 30.226 -1.418 1
1 259 . 9 1 1 A 26 26 GLN C C 26 175.582 175.928 -0.346 1
1 260 . 9 1 1 A 27 27 HIS N N 27 111.738 116.087 -4.349 1
1 261 . 9 1 1 A 27 27 HIS H H 27 8.581 8.644 -0.063 1
1 262 . 9 1 1 A 27 27 HIS CA C 27 56.937 57.072 -0.135 1
1 263 . 9 1 1 A 27 27 HIS HA H 27 4.174 4.014 0.160 1
1 264 . 9 1 1 A 27 27 HIS CB C 27 26.839 26.794 0.045 1
1 271 . 9 1 1 A 27 27 HIS C C 27 172.979 174.155 -1.176 1
1 272 . 9 1 1 A 28 28 VAL N N 28 118.229 119.092 -0.863 1
1 273 . 9 1 1 A 28 28 VAL H H 28 7.377 7.647 -0.270 1
1 274 . 9 1 1 A 28 28 VAL CA C 28 61.927 61.740 0.187 1
1 275 . 9 1 1 A 28 28 VAL HA H 28 3.922 4.210 -0.288 1
1 276 . 9 1 1 A 28 28 VAL CB C 28 33.373 32.719 0.654 1
1 286 . 9 1 1 A 28 28 VAL C C 28 174.687 173.533 1.154 1
1 287 . 9 1 1 A 29 29 ASN N N 29 125.832 127.541 -1.709 1
1 288 . 9 1 1 A 29 29 ASN H H 29 8.604 9.167 -0.563 1
1 289 . 9 1 1 A 29 29 ASN CA C 29 52.651 51.811 0.840 1
1 290 . 9 1 1 A 29 29 ASN HA H 29 4.682 5.196 -0.514 1
1 291 . 9 1 1 A 29 29 ASN CB C 29 39.124 39.413 -0.289 1
1 297 . 9 1 1 A 29 29 ASN C C 29 173.380 173.796 -0.416 1
1 298 . 9 1 1 A 30 30 VAL N N 30 125.146 126.651 -1.505 1
1 299 . 9 1 1 A 30 30 VAL H H 30 9.203 8.858 0.345 1
1 300 . 9 1 1 A 30 30 VAL CA C 30 63.838 62.867 0.971 1
1 301 . 9 1 1 A 30 30 VAL HA H 30 3.699 4.263 -0.564 1
1 302 . 9 1 1 A 30 30 VAL CB C 30 31.136 30.996 0.140 1
1 312 . 9 1 1 A 30 30 VAL C C 30 176.046 176.486 -0.440 1
1 313 . 9 1 1 A 31 31 THR N N 31 118.952 118.088 0.864 1
1 314 . 9 1 1 A 31 31 THR H H 31 8.396 8.724 -0.328 1
1 315 . 9 1 1 A 31 31 THR CA C 31 60.985 61.849 -0.864 1
1 316 . 9 1 1 A 31 31 THR HA H 31 4.316 4.660 -0.344 1
1 317 . 9 1 1 A 31 31 THR CB C 31 70.087 70.444 -0.357 1
1 323 . 9 1 1 A 31 31 THR C C 31 173.296 174.709 -1.413 1
1 324 . 9 1 1 A 32 32 ASP N N 32 120.757 120.359 0.398 1
1 325 . 9 1 1 A 32 32 ASP H H 32 8.078 7.388 0.690 1
1 326 . 9 1 1 A 32 32 ASP CA C 32 53.069 52.724 0.345 1
1 327 . 9 1 1 A 32 32 ASP HA H 32 4.536 5.153 -0.617 1
1 328 . 9 1 1 A 32 32 ASP CB C 32 41.527 44.605 -3.078 1
1 331 . 9 1 1 A 32 32 ASP C C 32 174.931 175.494 -0.563 1
1 332 . 9 1 1 A 33 33 LEU N N 33 117.024 120.655 -3.631 1
1 333 . 9 1 1 A 33 33 LEU H H 33 8.733 8.533 0.200 1
1 334 . 9 1 1 A 33 33 LEU CA C 33 54.453 54.428 0.025 1
1 335 . 9 1 1 A 33 33 LEU HA H 33 4.834 4.928 -0.094 1
1 336 . 9 1 1 A 33 33 LEU CB C 33 41.867 41.703 0.164 1
1 349 . 9 1 1 A 33 33 LEU C C 33 174.039 177.144 -3.105 1
1 350 . 9 1 1 A 34 34 THR N N 34 103.873 111.671 -7.798 1
1 351 . 9 1 1 A 34 34 THR H H 34 7.900 7.889 0.011 1
1 352 . 9 1 1 A 34 34 THR CA C 34 60.434 62.429 -1.995 1
1 353 . 9 1 1 A 34 34 THR HA H 34 4.519 4.701 -0.182 1
1 354 . 9 1 1 A 34 34 THR CB C 34 70.237 70.398 -0.161 1
1 360 . 9 1 1 A 34 34 THR C C 34 175.954 175.962 -0.008 1
1 361 . 9 1 1 A 35 35 THR N N 35 118.103 112.921 5.182 1
1 362 . 9 1 1 A 35 35 THR H H 35 9.363 8.204 1.159 1
1 363 . 9 1 1 A 35 35 THR CA C 35 66.422 64.171 2.251 1
1 364 . 9 1 1 A 35 35 THR HA H 35 3.981 4.364 -0.383 1
1 365 . 9 1 1 A 35 35 THR CB C 35 68.720 69.292 -0.572 1
1 371 . 9 1 1 A 35 35 THR C C 35 177.778 176.992 0.786 1
1 372 . 9 1 1 A 36 36 SER N N 36 120.417 116.358 4.059 1
1 373 . 9 1 1 A 36 36 SER H H 36 10.544 8.425 2.119 1
1 374 . 9 1 1 A 36 36 SER CA C 36 61.076 61.746 -0.670 1
1 375 . 9 1 1 A 36 36 SER HA H 36 4.395 4.294 0.101 1
1 376 . 9 1 1 A 36 36 SER CB C 36 63.485 63.008 0.477 1
1 379 . 9 1 1 A 36 36 SER C C 36 173.956 175.188 -1.232 1
1 380 . 9 1 1 A 37 37 TRP N N 37 121.387 119.670 1.717 1
1 381 . 9 1 1 A 37 37 TRP H H 37 8.126 8.104 0.022 1
1 382 . 9 1 1 A 37 37 TRP CA C 37 57.689 56.333 1.356 1
1 383 . 9 1 1 A 37 37 TRP HA H 37 4.340 5.144 -0.804 1
1 384 . 9 1 1 A 37 37 TRP CB C 37 28.915 29.239 -0.324 1
1 399 . 9 1 1 A 37 37 TRP C C 37 176.751 176.638 0.113 1
1 400 . 9 1 1 A 38 38 ARG N N 38 121.787 119.825 1.962 1
1 401 . 9 1 1 A 38 38 ARG H H 38 7.473 8.039 -0.566 1
1 402 . 9 1 1 A 38 38 ARG CA C 38 60.250 59.013 1.237 1
1 403 . 9 1 1 A 38 38 ARG HA H 38 4.065 4.191 -0.126 1
1 404 . 9 1 1 A 38 38 ARG CB C 38 30.807 29.963 0.844 1
1 415 . 9 1 1 A 38 38 ARG C C 38 177.636 178.338 -0.702 1
1 416 . 9 1 1 A 39 39 SER N N 39 110.340 114.113 -3.773 1
1 417 . 9 1 1 A 39 39 SER H H 39 8.665 7.726 0.939 1
1 418 . 9 1 1 A 39 39 SER CA C 39 59.336 59.080 0.256 1
1 419 . 9 1 1 A 39 39 SER HA H 39 4.349 4.477 -0.128 1
1 420 . 9 1 1 A 39 39 SER CB C 39 64.907 63.967 0.940 1
1 423 . 9 1 1 A 39 39 SER C C 39 174.768 174.609 0.159 1
1 424 . 9 1 1 A 40 40 GLY N N 40 109.467 108.767 0.700 1
1 425 . 9 1 1 A 40 40 GLY H H 40 7.549 7.772 -0.223 1
1 426 . 9 1 1 A 40 40 GLY CA C 40 46.347 45.292 1.055 1
1 427 . 9 1 1 A 40 40 GLY HA2 H 40 3.875 3.853 0.022 1
1 428 . 9 1 1 A 40 40 GLY HA3 H 40 3.915 3.903 0.012 1
1 429 . 9 1 1 A 40 40 GLY C C 40 173.725 175.928 -2.203 1
1 430 . 9 1 1 A 41 41 LEU N N 41 117.562 121.780 -4.218 1
1 431 . 9 1 1 A 41 41 LEU H H 41 7.287 8.118 -0.831 1
1 432 . 9 1 1 A 41 41 LEU CA C 41 57.482 57.651 -0.169 1
1 433 . 9 1 1 A 41 41 LEU HA H 41 3.882 3.716 0.166 1
1 434 . 9 1 1 A 41 41 LEU CB C 41 42.615 41.675 0.940 1
1 447 . 9 1 1 A 41 41 LEU C C 41 178.159 178.580 -0.421 1
1 448 . 9 1 1 A 42 42 ALA N N 42 121.758 121.189 0.569 1
1 449 . 9 1 1 A 42 42 ALA H H 42 8.506 8.103 0.403 1
1 450 . 9 1 1 A 42 42 ALA CA C 42 55.694 54.930 0.764 1
1 451 . 9 1 1 A 42 42 ALA HA H 42 3.582 3.695 -0.113 1
1 452 . 9 1 1 A 42 42 ALA CB C 42 17.039 17.619 -0.580 1
1 456 . 9 1 1 A 42 42 ALA C C 42 178.076 179.300 -1.224 1
1 457 . 9 1 1 A 43 43 LEU N N 43 118.332 118.985 -0.653 1
1 458 . 9 1 1 A 43 43 LEU H H 43 8.933 7.566 1.367 1
1 459 . 9 1 1 A 43 43 LEU CA C 43 57.425 57.891 -0.466 1
1 460 . 9 1 1 A 43 43 LEU HA H 43 4.308 4.176 0.132 1
1 461 . 9 1 1 A 43 43 LEU CB C 43 42.068 41.966 0.102 1
1 474 . 9 1 1 A 43 43 LEU C C 43 179.198 178.509 0.689 1
1 475 . 9 1 1 A 44 44 CYS N N 44 115.098 116.675 -1.577 1
1 476 . 9 1 1 A 44 44 CYS H H 44 7.607 8.381 -0.774 1
1 477 . 9 1 1 A 44 44 CYS CA C 44 65.664 62.251 3.413 1
1 478 . 9 1 1 A 44 44 CYS HA H 44 4.035 4.166 -0.131 1
1 479 . 9 1 1 A 44 44 CYS CB C 44 27.516 27.018 0.498 1
1 482 . 9 1 1 A 44 44 CYS C C 44 176.222 177.268 -1.046 1
1 483 . 9 1 1 A 45 45 ALA N N 45 121.778 122.437 -0.659 1
1 484 . 9 1 1 A 45 45 ALA H H 45 8.435 7.673 0.762 1
1 485 . 9 1 1 A 45 45 ALA CA C 45 55.306 54.811 0.495 1
1 486 . 9 1 1 A 45 45 ALA HA H 45 3.184 3.957 -0.773 1
1 487 . 9 1 1 A 45 45 ALA CB C 45 17.395 17.630 -0.235 1
1 491 . 9 1 1 A 45 45 ALA C C 45 177.510 179.776 -2.266 1
1 492 . 9 1 1 A 46 46 ILE N N 46 116.463 117.772 -1.309 1
1 493 . 9 1 1 A 46 46 ILE H H 46 7.527 8.009 -0.482 1
1 494 . 9 1 1 A 46 46 ILE CA C 46 65.137 64.892 0.245 1
1 495 . 9 1 1 A 46 46 ILE HA H 46 3.267 3.722 -0.455 1
1 496 . 9 1 1 A 46 46 ILE CB C 46 37.084 37.845 -0.761 1
1 509 . 9 1 1 A 46 46 ILE C C 46 176.744 179.006 -2.262 1
1 510 . 9 1 1 A 47 47 ILE N N 47 115.676 121.398 -5.722 1
1 511 . 9 1 1 A 47 47 ILE H H 47 7.786 7.747 0.039 1
1 512 . 9 1 1 A 47 47 ILE CA C 47 66.948 64.802 2.146 1
1 513 . 9 1 1 A 47 47 ILE HA H 47 3.754 4.046 -0.292 1
1 514 . 9 1 1 A 47 47 ILE CB C 47 38.335 37.882 0.453 1
1 527 . 9 1 1 A 47 47 ILE C C 47 176.853 178.506 -1.653 1
1 528 . 9 1 1 A 48 48 HIS N N 48 120.066 119.983 0.083 1
1 529 . 9 1 1 A 48 48 HIS H H 48 8.569 8.739 -0.170 1
1 530 . 9 1 1 A 48 48 HIS CA C 48 60.767 60.167 0.600 1
1 531 . 9 1 1 A 48 48 HIS HA H 48 3.918 4.445 -0.527 1
1 532 . 9 1 1 A 48 48 HIS CB C 48 31.245 30.040 1.205 1
1 539 . 9 1 1 A 48 48 HIS C C 48 175.841 176.958 -1.117 1
1 540 . 9 1 1 A 49 49 ARG N N 49 118.781 117.750 1.031 1
1 541 . 9 1 1 A 49 49 ARG H H 49 8.572 8.626 -0.054 1
1 542 . 9 1 1 A 49 49 ARG CA C 49 58.152 59.205 -1.053 1
1 543 . 9 1 1 A 49 49 ARG HA H 49 3.680 3.958 -0.278 1
1 544 . 9 1 1 A 49 49 ARG CB C 49 28.454 30.116 -1.662 1
1 555 . 9 1 1 A 49 49 ARG C C 49 177.830 178.974 -1.144 1
1 556 . 9 1 1 A 50 50 PHE N N 50 113.909 117.793 -3.884 1
1 557 . 9 1 1 A 50 50 PHE H H 50 6.900 8.024 -1.124 1
1 558 . 9 1 1 A 50 50 PHE CA C 50 59.885 59.831 0.054 1
1 559 . 9 1 1 A 50 50 PHE HA H 50 4.281 4.366 -0.085 1
1 560 . 9 1 1 A 50 50 PHE CB C 50 41.527 39.397 2.130 1
1 573 . 9 1 1 A 50 50 PHE C C 50 176.867 176.106 0.761 1
1 574 . 9 1 1 A 51 51 ARG N N 51 120.652 118.696 1.956 1
1 575 . 9 1 1 A 51 51 ARG H H 51 9.059 8.341 0.718 1
1 576 . 9 1 1 A 51 51 ARG CA C 51 51.499 53.822 -2.323 1
1 577 . 9 1 1 A 51 51 ARG HA H 51 4.942 4.827 0.115 1
1 578 . 9 1 1 A 51 51 ARG CB C 51 30.307 30.668 -0.361 1
1 589 . 9 1 1 A 51 51 ARG C C 51 172.670 174.656 -1.986 1
1 590 . 9 1 1 A 52 52 PRO CA C 52 64.948 64.349 0.599 1
1 591 . 9 1 1 A 52 52 PRO HA H 52 4.343 4.398 -0.055 1
1 592 . 9 1 1 A 52 52 PRO CB C 52 31.091 31.656 -0.565 1
1 601 . 9 1 1 A 52 52 PRO C C 52 177.406 177.882 -0.476 1
1 602 . 9 1 1 A 53 53 GLU N N 53 118.219 118.428 -0.209 1
1 603 . 9 1 1 A 53 53 GLU H H 53 9.784 8.244 1.540 1
1 604 . 9 1 1 A 53 53 GLU CA C 53 57.285 59.641 -2.356 1
1 605 . 9 1 1 A 53 53 GLU HA H 53 4.322 4.160 0.162 1
1 606 . 9 1 1 A 53 53 GLU CB C 53 27.771 29.411 -1.640 1
1 612 . 9 1 1 A 53 53 GLU C C 53 177.957 179.282 -1.325 1
1 613 . 9 1 1 A 54 54 LEU N N 54 119.316 118.406 0.910 1
1 614 . 9 1 1 A 54 54 LEU H H 54 8.212 7.576 0.636 1
1 615 . 9 1 1 A 54 54 LEU CA C 54 55.943 57.236 -1.293 1
1 616 . 9 1 1 A 54 54 LEU HA H 54 4.337 4.121 0.216 1
1 617 . 9 1 1 A 54 54 LEU CB C 54 43.122 42.797 0.325 1
1 630 . 9 1 1 A 54 54 LEU C C 54 177.159 176.934 0.225 1
1 631 . 9 1 1 A 55 55 ILE N N 55 115.493 118.217 -2.724 1
1 632 . 9 1 1 A 55 55 ILE H H 55 6.990 8.012 -1.022 1
1 633 . 9 1 1 A 55 55 ILE CA C 55 59.645 60.168 -0.523 1
1 634 . 9 1 1 A 55 55 ILE HA H 55 4.230 4.665 -0.435 1
1 635 . 9 1 1 A 55 55 ILE CB C 55 43.159 41.557 1.602 1
1 648 . 9 1 1 A 55 55 ILE C C 55 173.302 174.361 -1.059 1
1 649 . 9 1 1 A 56 56 ASN N N 56 124.568 125.201 -0.633 1
1 650 . 9 1 1 A 56 56 ASN H H 56 8.984 8.779 0.205 1
1 651 . 9 1 1 A 56 56 ASN CA C 56 51.198 52.124 -0.926 1
1 652 . 9 1 1 A 56 56 ASN HA H 56 5.100 5.395 -0.295 1
1 653 . 9 1 1 A 56 56 ASN CB C 56 36.452 38.174 -1.722 1
1 659 . 9 1 1 A 56 56 ASN C C 56 175.902 175.799 0.103 1
1 660 . 9 1 1 A 57 57 PHE N N 57 126.548 122.795 3.753 1
1 661 . 9 1 1 A 57 57 PHE H H 57 7.219 8.759 -1.540 1
1 662 . 9 1 1 A 57 57 PHE CA C 57 62.399 62.354 0.045 1
1 663 . 9 1 1 A 57 57 PHE HA H 57 3.514 3.935 -0.421 1
1 664 . 9 1 1 A 57 57 PHE CB C 57 39.553 39.644 -0.091 1
1 677 . 9 1 1 A 57 57 PHE C C 57 176.597 176.615 -0.018 1
1 678 . 9 1 1 A 58 58 ASP N N 58 116.755 118.588 -1.833 1
1 679 . 9 1 1 A 58 58 ASP H H 58 8.691 8.404 0.287 1
1 680 . 9 1 1 A 58 58 ASP CA C 58 56.635 57.407 -0.772 1
1 681 . 9 1 1 A 58 58 ASP HA H 58 4.324 4.376 -0.052 1
1 682 . 9 1 1 A 58 58 ASP CB C 58 40.262 40.246 0.016 1
1 685 . 9 1 1 A 58 58 ASP C C 58 176.562 178.445 -1.883 1
1 686 . 9 1 1 A 59 59 SER N N 59 112.320 114.583 -2.263 1
1 687 . 9 1 1 A 59 59 SER H H 59 7.412 8.270 -0.858 1
1 688 . 9 1 1 A 59 59 SER CA C 59 58.740 61.183 -2.443 1
1 689 . 9 1 1 A 59 59 SER HA H 59 4.365 4.277 0.088 1
1 690 . 9 1 1 A 59 59 SER CB C 59 64.598 62.759 1.839 1
1 693 . 9 1 1 A 59 59 SER C C 59 174.309 174.823 -0.514 1
1 694 . 9 1 1 A 60 60 LEU N N 60 121.693 121.622 0.071 1
1 695 . 9 1 1 A 60 60 LEU H H 60 7.176 7.298 -0.122 1
1 696 . 9 1 1 A 60 60 LEU CA C 60 54.593 55.640 -1.047 1
1 697 . 9 1 1 A 60 60 LEU HA H 60 4.196 3.977 0.219 1
1 698 . 9 1 1 A 60 60 LEU CB C 60 40.943 41.719 -0.776 1
1 711 . 9 1 1 A 60 60 LEU C C 60 176.774 175.876 0.898 1
1 712 . 9 1 1 A 61 61 ASN N N 61 121.648 124.677 -3.029 1
1 713 . 9 1 1 A 61 61 ASN H H 61 9.391 8.410 0.981 1
1 714 . 9 1 1 A 61 61 ASN CA C 61 51.763 51.815 -0.052 1
1 715 . 9 1 1 A 61 61 ASN HA H 61 4.721 4.993 -0.272 1
1 716 . 9 1 1 A 61 61 ASN CB C 61 40.025 40.474 -0.449 1
1 722 . 9 1 1 A 61 61 ASN C C 61 176.599 175.542 1.057 1
1 723 . 9 1 1 A 62 62 GLU N N 62 126.707 125.681 1.026 1
1 724 . 9 1 1 A 62 62 GLU H H 62 9.255 9.104 0.151 1
1 725 . 9 1 1 A 62 62 GLU CA C 62 58.926 60.544 -1.618 1
1 726 . 9 1 1 A 62 62 GLU HA H 62 3.688 3.849 -0.161 1
1 727 . 9 1 1 A 62 62 GLU CB C 62 29.479 29.717 -0.238 1
1 733 . 9 1 1 A 62 62 GLU C C 62 176.196 178.002 -1.806 1
1 734 . 9 1 1 A 63 63 ASP N N 63 116.763 119.868 -3.105 1
1 735 . 9 1 1 A 63 63 ASP H H 63 8.317 7.867 0.450 1
1 736 . 9 1 1 A 63 63 ASP CA C 63 55.499 57.519 -2.020 1
1 737 . 9 1 1 A 63 63 ASP HA H 63 4.509 4.331 0.178 1
1 738 . 9 1 1 A 63 63 ASP CB C 63 40.697 41.712 -1.015 1
1 741 . 9 1 1 A 63 63 ASP C C 63 177.195 177.305 -0.110 1
1 742 . 9 1 1 A 64 64 ASP N N 64 123.036 117.234 5.802 1
1 743 . 9 1 1 A 64 64 ASP H H 64 7.422 8.317 -0.895 1
1 744 . 9 1 1 A 64 64 ASP CA C 64 52.760 53.661 -0.901 1
1 745 . 9 1 1 A 64 64 ASP HA H 64 4.949 4.891 0.058 1
1 746 . 9 1 1 A 64 64 ASP CB C 64 38.920 39.774 -0.854 1
1 749 . 9 1 1 A 64 64 ASP C C 64 174.979 176.281 -1.302 1
1 750 . 9 1 1 A 65 65 ALA N N 65 123.411 122.665 0.746 1
1 751 . 9 1 1 A 65 65 ALA H H 65 7.527 7.923 -0.396 1
1 752 . 9 1 1 A 65 65 ALA CA C 65 55.750 55.189 0.561 1
1 753 . 9 1 1 A 65 65 ALA HA H 65 4.295 4.029 0.266 1
1 754 . 9 1 1 A 65 65 ALA CB C 65 19.889 18.746 1.143 1
1 758 . 9 1 1 A 65 65 ALA C C 65 181.114 179.829 1.285 1
1 759 . 9 1 1 A 66 66 VAL N N 66 119.151 118.121 1.030 1
1 760 . 9 1 1 A 66 66 VAL H H 66 8.305 8.128 0.177 1
1 761 . 9 1 1 A 66 66 VAL CA C 66 67.423 67.123 0.300 1
1 762 . 9 1 1 A 66 66 VAL HA H 66 3.292 3.613 -0.321 1
1 763 . 9 1 1 A 66 66 VAL CB C 66 31.418 31.630 -0.212 1
1 773 . 9 1 1 A 66 66 VAL C C 66 177.471 178.025 -0.554 1
1 774 . 9 1 1 A 67 67 GLU N N 67 117.895 118.872 -0.977 1
1 775 . 9 1 1 A 67 67 GLU H H 67 8.256 8.217 0.039 1
1 776 . 9 1 1 A 67 67 GLU CA C 67 59.831 59.779 0.052 1
1 777 . 9 1 1 A 67 67 GLU HA H 67 3.901 3.964 -0.063 1
1 778 . 9 1 1 A 67 67 GLU CB C 67 28.963 29.527 -0.564 1
1 784 . 9 1 1 A 67 67 GLU C C 67 179.796 179.339 0.457 1
1 785 . 9 1 1 A 68 68 ASN N N 68 119.611 117.993 1.618 1
1 786 . 9 1 1 A 68 68 ASN H H 68 9.019 8.408 0.611 1
1 787 . 9 1 1 A 68 68 ASN CA C 68 55.797 56.505 -0.708 1
1 788 . 9 1 1 A 68 68 ASN HA H 68 4.325 4.358 -0.033 1
1 789 . 9 1 1 A 68 68 ASN CB C 68 37.140 38.082 -0.942 1
1 795 . 9 1 1 A 68 68 ASN C C 68 177.193 178.137 -0.944 1
1 796 . 9 1 1 A 69 69 ASN N N 69 115.555 117.868 -2.313 1
1 797 . 9 1 1 A 69 69 ASN H H 69 7.589 8.245 -0.656 1
1 798 . 9 1 1 A 69 69 ASN CA C 69 57.155 56.255 0.900 1
1 799 . 9 1 1 A 69 69 ASN HA H 69 3.880 4.153 -0.273 1
1 800 . 9 1 1 A 69 69 ASN CB C 69 40.785 38.250 2.535 1
1 806 . 9 1 1 A 69 69 ASN C C 69 175.062 177.634 -2.572 1
1 807 . 9 1 1 A 70 70 GLN N N 70 115.794 120.060 -4.266 1
1 808 . 9 1 1 A 70 70 GLN H H 70 8.058 7.908 0.150 1
1 809 . 9 1 1 A 70 70 GLN CA C 70 58.400 58.956 -0.556 1
1 810 . 9 1 1 A 70 70 GLN HA H 70 3.591 4.310 -0.719 1
1 811 . 9 1 1 A 70 70 GLN CB C 70 29.420 28.428 0.992 1
1 820 . 9 1 1 A 70 70 GLN C C 70 176.954 177.967 -1.013 1
1 821 . 9 1 1 A 71 71 LEU N N 71 118.631 120.970 -2.339 1
1 822 . 9 1 1 A 71 71 LEU H H 71 8.090 8.363 -0.273 1
1 823 . 9 1 1 A 71 71 LEU CA C 71 58.121 58.491 -0.370 1
1 824 . 9 1 1 A 71 71 LEU HA H 71 4.291 4.006 0.285 1
1 825 . 9 1 1 A 71 71 LEU CB C 71 42.100 41.987 0.113 1
1 838 . 9 1 1 A 71 71 LEU C C 71 177.664 178.116 -0.452 1
1 839 . 9 1 1 A 72 72 ALA N N 72 119.977 120.109 -0.132 1
1 840 . 9 1 1 A 72 72 ALA H H 72 7.274 8.028 -0.754 1
1 841 . 9 1 1 A 72 72 ALA CA C 72 55.807 55.033 0.774 1
1 842 . 9 1 1 A 72 72 ALA HA H 72 3.873 4.096 -0.223 1
1 843 . 9 1 1 A 72 72 ALA CB C 72 18.412 18.612 -0.200 1
1 847 . 9 1 1 A 72 72 ALA C C 72 179.676 180.081 -0.405 1
1 848 . 9 1 1 A 73 73 PHE N N 73 115.018 116.239 -1.221 1
1 849 . 9 1 1 A 73 73 PHE H H 73 8.722 7.909 0.813 1
1 850 . 9 1 1 A 73 73 PHE CA C 73 56.889 62.170 -5.281 1
1 851 . 9 1 1 A 73 73 PHE HA H 73 4.848 4.597 0.251 1
1 852 . 9 1 1 A 73 73 PHE CB C 73 37.404 39.042 -1.638 1
1 865 . 9 1 1 A 73 73 PHE C C 73 180.123 177.936 2.187 1
1 866 . 9 1 1 A 74 74 ASP N N 74 122.136 119.753 2.383 1
1 867 . 9 1 1 A 74 74 ASP H H 74 9.262 8.786 0.476 1
1 868 . 9 1 1 A 74 74 ASP CA C 74 57.648 57.544 0.104 1
1 869 . 9 1 1 A 74 74 ASP HA H 74 4.550 4.448 0.102 1
1 870 . 9 1 1 A 74 74 ASP CB C 74 40.073 41.276 -1.203 1
1 873 . 9 1 1 A 74 74 ASP C C 74 179.818 178.593 1.225 1
1 874 . 9 1 1 A 75 75 VAL N N 75 122.521 119.094 3.427 1
1 875 . 9 1 1 A 75 75 VAL H H 75 9.080 8.439 0.641 1
1 876 . 9 1 1 A 75 75 VAL CA C 75 66.894 65.969 0.925 1
1 877 . 9 1 1 A 75 75 VAL HA H 75 3.611 4.059 -0.448 1
1 878 . 9 1 1 A 75 75 VAL CB C 75 31.943 31.592 0.351 1
1 888 . 9 1 1 A 75 75 VAL C C 75 177.813 178.486 -0.673 1
1 889 . 9 1 1 A 76 76 ALA N N 76 121.109 121.722 -0.613 1
1 890 . 9 1 1 A 76 76 ALA H H 76 8.813 8.301 0.512 1
1 891 . 9 1 1 A 76 76 ALA CA C 76 55.181 55.297 -0.116 1
1 892 . 9 1 1 A 76 76 ALA HA H 76 4.092 3.873 0.219 1
1 893 . 9 1 1 A 76 76 ALA CB C 76 19.324 18.704 0.620 1
1 897 . 9 1 1 A 76 76 ALA C C 76 180.373 180.502 -0.129 1
1 898 . 9 1 1 A 77 77 GLU N N 77 120.309 118.685 1.624 1
1 899 . 9 1 1 A 77 77 GLU H H 77 8.257 8.066 0.191 1
1 900 . 9 1 1 A 77 77 GLU CA C 77 59.818 58.694 1.124 1
1 901 . 9 1 1 A 77 77 GLU HA H 77 3.982 4.202 -0.220 1
1 902 . 9 1 1 A 77 77 GLU CB C 77 30.530 29.666 0.864 1
1 908 . 9 1 1 A 77 77 GLU C C 77 178.591 177.783 0.808 1
1 909 . 9 1 1 A 78 78 ARG N N 78 119.060 119.054 0.006 1
1 910 . 9 1 1 A 78 78 ARG H H 78 8.325 7.788 0.537 1
1 911 . 9 1 1 A 78 78 ARG CA C 78 59.232 57.580 1.652 1
1 912 . 9 1 1 A 78 78 ARG HA H 78 4.048 4.354 -0.306 1
1 913 . 9 1 1 A 78 78 ARG CB C 78 31.462 31.317 0.145 1
1 924 . 9 1 1 A 78 78 ARG C C 78 178.327 178.074 0.253 1
1 925 . 9 1 1 A 79 79 GLU N N 79 114.012 118.954 -4.942 1
1 926 . 9 1 1 A 79 79 GLU H H 79 8.878 8.499 0.379 1
1 927 . 9 1 1 A 79 79 GLU CA C 79 56.599 58.677 -2.078 1
1 928 . 9 1 1 A 79 79 GLU HA H 79 4.329 4.079 0.250 1
1 929 . 9 1 1 A 79 79 GLU CB C 79 28.771 29.858 -1.087 1
1 935 . 9 1 1 A 79 79 GLU C C 79 178.301 178.460 -0.159 1
1 936 . 9 1 1 A 80 80 PHE N N 80 113.394 117.197 -3.803 1
1 937 . 9 1 1 A 80 80 PHE H H 80 6.906 7.261 -0.355 1
1 938 . 9 1 1 A 80 80 PHE CA C 80 53.518 57.964 -4.446 1
1 939 . 9 1 1 A 80 80 PHE HA H 80 5.246 4.514 0.732 1
1 940 . 9 1 1 A 80 80 PHE CB C 80 39.910 39.242 0.668 1
1 953 . 9 1 1 A 80 80 PHE C C 80 176.487 176.172 0.315 1
1 954 . 9 1 1 A 81 81 GLY N N 81 108.698 108.877 -0.179 1
1 955 . 9 1 1 A 81 81 GLY H H 81 7.352 8.102 -0.750 1
1 956 . 9 1 1 A 81 81 GLY CA C 81 46.520 46.752 -0.232 1
1 957 . 9 1 1 A 81 81 GLY HA2 H 81 3.975 3.977 -0.002 1
1 958 . 9 1 1 A 81 81 GLY HA3 H 81 3.975 3.982 -0.007 1
1 959 . 9 1 1 A 81 81 GLY C C 81 174.711 174.529 0.182 1
1 960 . 9 1 1 A 82 82 ILE N N 82 122.486 122.262 0.224 1
1 961 . 9 1 1 A 82 82 ILE H H 82 7.507 8.115 -0.608 1
1 962 . 9 1 1 A 82 82 ILE CA C 82 58.810 58.084 0.726 1
1 963 . 9 1 1 A 82 82 ILE HA H 82 4.285 4.420 -0.135 1
1 964 . 9 1 1 A 82 82 ILE CB C 82 39.376 40.208 -0.832 1
1 977 . 9 1 1 A 82 82 ILE C C 82 172.836 174.781 -1.945 1
1 978 . 9 1 1 A 83 83 PRO CA C 83 60.989 62.228 -1.239 1
1 979 . 9 1 1 A 83 83 PRO HA H 83 4.589 4.719 -0.130 1
1 980 . 9 1 1 A 83 83 PRO CB C 83 31.107 32.270 -1.163 1
1 989 . 9 1 1 A 84 84 PRO CA C 84 62.860 62.353 0.507 1
1 990 . 9 1 1 A 84 84 PRO HA H 84 4.405 4.548 -0.143 1
1 991 . 9 1 1 A 84 84 PRO CB C 84 32.638 31.687 0.951 1
1 1000 . 9 1 1 A 84 84 PRO C C 84 177.894 177.362 0.532 1
1 1001 . 9 1 1 A 85 85 VAL N N 85 114.062 119.583 -5.521 1
1 1002 . 9 1 1 A 85 85 VAL H H 85 6.621 7.799 -1.178 1
1 1003 . 9 1 1 A 85 85 VAL CA C 85 61.000 64.303 -3.303 1
1 1004 . 9 1 1 A 85 85 VAL HA H 85 4.080 3.724 0.356 1
1 1005 . 9 1 1 A 85 85 VAL CB C 85 32.725 31.710 1.015 1
1 1015 . 9 1 1 A 85 85 VAL C C 85 174.315 175.603 -1.288 1
1 1016 . 9 1 1 A 86 86 THR N N 86 114.774 114.142 0.632 1
1 1017 . 9 1 1 A 86 86 THR H H 86 6.827 7.111 -0.284 1
1 1018 . 9 1 1 A 86 86 THR CA C 86 59.336 59.492 -0.156 1
1 1019 . 9 1 1 A 86 86 THR HA H 86 4.442 4.665 -0.223 1
1 1020 . 9 1 1 A 86 86 THR CB C 86 68.016 71.711 -3.695 1
1 1026 . 9 1 1 A 86 86 THR C C 86 172.724 172.035 0.689 1
1 1027 . 9 1 1 A 87 87 THR N N 87 109.655 115.505 -5.850 1
1 1028 . 9 1 1 A 87 87 THR H H 87 8.313 8.472 -0.159 1
1 1029 . 9 1 1 A 87 87 THR CA C 87 59.870 60.267 -0.397 1
1 1030 . 9 1 1 A 87 87 THR HA H 87 5.000 4.645 0.355 1
1 1031 . 9 1 1 A 87 87 THR CB C 87 72.527 70.650 1.877 1
1 1037 . 9 1 1 A 87 87 THR C C 87 176.440 175.637 0.803 1
1 1038 . 9 1 1 A 88 88 GLY N N 88 110.531 110.504 0.027 1
1 1039 . 9 1 1 A 88 88 GLY H H 88 9.655 9.036 0.619 1
1 1040 . 9 1 1 A 88 88 GLY CA C 88 49.124 47.659 1.465 1
1 1041 . 9 1 1 A 88 88 GLY HA2 H 88 4.115 3.988 0.127 1
1 1042 . 9 1 1 A 88 88 GLY HA3 H 88 3.755 4.121 -0.366 1
1 1043 . 9 1 1 A 88 88 GLY C C 88 175.154 175.789 -0.635 1
1 1044 . 9 1 1 A 89 89 LYS N N 89 119.606 121.810 -2.204 1
1 1045 . 9 1 1 A 89 89 LYS H H 89 8.542 8.159 0.383 1
1 1046 . 9 1 1 A 89 89 LYS CA C 89 59.687 59.498 0.189 1
1 1047 . 9 1 1 A 89 89 LYS HA H 89 4.030 3.995 0.035 1
1 1048 . 9 1 1 A 89 89 LYS CB C 89 32.733 32.255 0.478 1
1 1060 . 9 1 1 A 89 89 LYS C C 89 178.921 178.893 0.028 1
1 1061 . 9 1 1 A 90 90 GLU N N 90 118.992 119.511 -0.519 1
1 1062 . 9 1 1 A 90 90 GLU H H 90 7.610 7.723 -0.113 1
1 1063 . 9 1 1 A 90 90 GLU CA C 90 59.238 59.564 -0.326 1
1 1064 . 9 1 1 A 90 90 GLU HA H 90 4.008 4.048 -0.040 1
1 1065 . 9 1 1 A 90 90 GLU CB C 90 29.946 29.308 0.638 1
1 1071 . 9 1 1 A 90 90 GLU C C 90 179.366 178.686 0.680 1
1 1072 . 9 1 1 A 91 91 MET N N 91 120.109 118.905 1.204 1
1 1073 . 9 1 1 A 91 91 MET H H 91 8.468 8.461 0.007 1
1 1074 . 9 1 1 A 91 91 MET CA C 91 57.606 58.609 -1.003 1
1 1075 . 9 1 1 A 91 91 MET HA H 91 4.355 4.035 0.320 1
1 1076 . 9 1 1 A 91 91 MET CB C 91 32.364 32.383 -0.019 1
1 1086 . 9 1 1 A 91 91 MET C C 91 177.168 178.270 -1.102 1
1 1087 . 9 1 1 A 92 92 ALA N N 92 115.912 122.170 -6.258 1
1 1088 . 9 1 1 A 92 92 ALA H H 92 7.876 7.803 0.073 1
1 1089 . 9 1 1 A 92 92 ALA CA C 92 53.278 55.118 -1.840 1
1 1090 . 9 1 1 A 92 92 ALA HA H 92 4.316 4.244 0.072 1
1 1091 . 9 1 1 A 92 92 ALA CB C 92 20.275 18.622 1.653 1
1 1095 . 9 1 1 A 92 92 ALA C C 92 178.672 179.634 -0.962 1
1 1096 . 9 1 1 A 93 93 SER N N 93 111.760 113.771 -2.011 1
1 1097 . 9 1 1 A 93 93 SER H H 93 7.431 8.334 -0.903 1
1 1098 . 9 1 1 A 93 93 SER CA C 93 58.584 62.211 -3.627 1
1 1099 . 9 1 1 A 93 93 SER HA H 93 4.471 4.111 0.360 1
1 1100 . 9 1 1 A 93 93 SER CB C 93 64.582 62.849 1.733 1
1 1103 . 9 1 1 A 93 93 SER C C 93 173.576 175.687 -2.111 1
1 1104 . 9 1 1 A 94 94 ALA N N 94 123.381 121.836 1.545 1
1 1105 . 9 1 1 A 94 94 ALA H H 94 7.903 7.547 0.356 1
1 1106 . 9 1 1 A 94 94 ALA CA C 94 52.760 52.204 0.556 1
1 1107 . 9 1 1 A 94 94 ALA HA H 94 4.267 4.302 -0.035 1
1 1108 . 9 1 1 A 94 94 ALA CB C 94 18.364 18.914 -0.550 1
1 1112 . 9 1 1 A 94 94 ALA C C 94 177.611 178.246 -0.635 1
1 1113 . 9 1 1 A 95 95 GLN N N 95 120.874 124.068 -3.194 1
1 1114 . 9 1 1 A 95 95 GLN H H 95 8.305 8.672 -0.367 1
1 1115 . 9 1 1 A 95 95 GLN CA C 95 56.821 58.917 -2.096 1
1 1116 . 9 1 1 A 95 95 GLN HA H 95 4.185 4.154 0.031 1
1 1117 . 9 1 1 A 95 95 GLN CB C 95 29.052 28.316 0.736 1
1 1126 . 9 1 1 A 95 95 GLN C C 95 175.975 176.132 -0.157 1
1 1127 . 9 1 1 A 96 96 GLU N N 96 120.251 118.428 1.823 1
1 1128 . 9 1 1 A 96 96 GLU H H 96 8.402 8.142 0.260 1
1 1129 . 9 1 1 A 96 96 GLU CA C 96 54.378 52.616 1.762 1
1 1130 . 9 1 1 A 96 96 GLU HA H 96 4.537 4.692 -0.155 1
1 1131 . 9 1 1 A 96 96 GLU CB C 96 30.216 30.135 0.081 1
1 1137 . 9 1 1 A 96 96 GLU C C 96 173.618 174.397 -0.779 1
1 1138 . 9 1 1 A 97 97 PRO CA C 97 62.763 62.319 0.444 1
1 1139 . 9 1 1 A 97 97 PRO HA H 97 4.362 4.630 -0.268 1
1 1140 . 9 1 1 A 97 97 PRO CB C 97 32.356 33.227 -0.871 1
1 1149 . 9 1 1 A 97 97 PRO C C 97 174.841 175.062 -0.221 1
1 1150 . 9 1 1 A 98 98 ASP N N 98 120.272 120.401 -0.129 1
1 1151 . 9 1 1 A 98 98 ASP H H 98 8.396 8.739 -0.343 1
1 1152 . 9 1 1 A 98 98 ASP CA C 98 54.555 53.737 0.818 1
1 1153 . 9 1 1 A 98 98 ASP HA H 98 4.409 4.724 -0.315 1
1 1154 . 9 1 1 A 98 98 ASP CB C 98 42.248 40.347 1.901 1
1 1157 . 9 1 1 A 98 98 ASP C C 98 176.253 176.677 -0.424 1
1 1158 . 9 1 1 A 99 99 LYS N N 99 126.808 126.689 0.119 1
1 1159 . 9 1 1 A 99 99 LYS H H 99 8.454 8.550 -0.096 1
1 1160 . 9 1 1 A 99 99 LYS CA C 99 60.158 60.017 0.141 1
1 1161 . 9 1 1 A 99 99 LYS HA H 99 3.705 3.840 -0.135 1
1 1162 . 9 1 1 A 99 99 LYS CB C 99 32.832 32.309 0.523 1
1 1174 . 9 1 1 A 99 99 LYS C C 99 177.621 177.974 -0.353 1
1 1175 . 9 1 1 A 100 100 LEU N N 100 118.450 120.670 -2.220 1
1 1176 . 9 1 1 A 100 100 LEU H H 100 8.160 8.094 0.066 1
1 1177 . 9 1 1 A 100 100 LEU CA C 100 58.094 57.829 0.265 1
1 1178 . 9 1 1 A 100 100 LEU HA H 100 4.020 3.963 0.057 1
1 1179 . 9 1 1 A 100 100 LEU CB C 100 40.800 41.972 -1.172 1
1 1192 . 9 1 1 A 100 100 LEU C C 100 179.776 178.705 1.071 1
1 1193 . 9 1 1 A 101 101 SER N N 101 115.644 113.620 2.024 1
1 1194 . 9 1 1 A 101 101 SER H H 101 8.047 8.104 -0.057 1
1 1195 . 9 1 1 A 101 101 SER CA C 101 61.765 61.660 0.105 1
1 1196 . 9 1 1 A 101 101 SER HA H 101 4.174 4.062 0.112 1
1 1197 . 9 1 1 A 101 101 SER CB C 101 62.609 62.951 -0.342 1
1 1200 . 9 1 1 A 101 101 SER C C 101 176.476 177.120 -0.644 1
1 1201 . 9 1 1 A 102 102 MET N N 102 120.653 119.569 1.084 1
1 1202 . 9 1 1 A 102 102 MET H H 102 8.027 8.233 -0.206 1
1 1203 . 9 1 1 A 102 102 MET CA C 102 56.380 58.391 -2.011 1
1 1204 . 9 1 1 A 102 102 MET HA H 102 4.508 4.194 0.314 1
1 1205 . 9 1 1 A 102 102 MET CB C 102 30.731 33.109 -2.378 1
1 1215 . 9 1 1 A 102 102 MET C C 102 178.903 178.441 0.462 1
1 1216 . 9 1 1 A 103 103 VAL N N 103 119.836 119.629 0.207 1
1 1217 . 9 1 1 A 103 103 VAL H H 103 8.556 8.005 0.551 1
1 1218 . 9 1 1 A 103 103 VAL CA C 103 67.049 66.691 0.358 1
1 1219 . 9 1 1 A 103 103 VAL HA H 103 3.370 3.518 -0.148 1
1 1220 . 9 1 1 A 103 103 VAL CB C 103 31.583 31.516 0.067 1
1 1230 . 9 1 1 A 103 103 VAL C C 103 179.225 177.785 1.440 1
1 1231 . 9 1 1 A 104 104 MET N N 104 120.390 118.660 1.730 1
1 1232 . 9 1 1 A 104 104 MET H H 104 8.112 8.854 -0.742 1
1 1233 . 9 1 1 A 104 104 MET CA C 104 58.991 58.496 0.495 1
1 1234 . 9 1 1 A 104 104 MET HA H 104 4.047 4.243 -0.196 1
1 1235 . 9 1 1 A 104 104 MET CB C 104 31.979 32.357 -0.378 1
1 1245 . 9 1 1 A 104 104 MET C C 104 178.210 178.240 -0.030 1
1 1246 . 9 1 1 A 105 105 TYR N N 105 120.956 122.335 -1.379 1
1 1247 . 9 1 1 A 105 105 TYR H H 105 8.185 7.977 0.208 1
1 1248 . 9 1 1 A 105 105 TYR CA C 105 61.449 61.666 -0.217 1
1 1249 . 9 1 1 A 105 105 TYR HA H 105 4.317 4.324 -0.007 1
1 1250 . 9 1 1 A 105 105 TYR CB C 105 40.259 38.761 1.498 1
1 1261 . 9 1 1 A 105 105 TYR C C 105 177.805 177.479 0.326 1
1 1262 . 9 1 1 A 106 106 LEU N N 106 116.468 120.463 -3.995 1
1 1263 . 9 1 1 A 106 106 LEU H H 106 9.088 8.692 0.396 1
1 1264 . 9 1 1 A 106 106 LEU CA C 106 57.744 57.774 -0.030 1
1 1265 . 9 1 1 A 106 106 LEU HA H 106 4.139 3.924 0.215 1
1 1266 . 9 1 1 A 106 106 LEU CB C 106 42.285 41.249 1.036 1
1 1279 . 9 1 1 A 106 106 LEU C C 106 180.758 179.038 1.720 1
1 1280 . 9 1 1 A 107 107 SER N N 107 114.570 113.205 1.365 1
1 1281 . 9 1 1 A 107 107 SER H H 107 8.338 8.399 -0.061 1
1 1282 . 9 1 1 A 107 107 SER CA C 107 63.030 61.730 1.300 1
1 1283 . 9 1 1 A 107 107 SER HA H 107 4.016 4.137 -0.121 1
1 1284 . 9 1 1 A 107 107 SER CB C 107 62.866 62.646 0.220 1
1 1287 . 9 1 1 A 107 107 SER C C 107 175.377 176.955 -1.578 1
1 1288 . 9 1 1 A 108 108 LYS N N 108 120.221 120.693 -0.472 1
1 1289 . 9 1 1 A 108 108 LYS H H 108 7.522 7.636 -0.114 1
1 1290 . 9 1 1 A 108 108 LYS CA C 108 58.870 59.189 -0.319 1
1 1291 . 9 1 1 A 108 108 LYS HA H 108 3.910 3.885 0.025 1
1 1292 . 9 1 1 A 108 108 LYS CB C 108 31.719 32.087 -0.368 1
1 1304 . 9 1 1 A 108 108 LYS C C 108 179.587 179.407 0.180 1
1 1305 . 9 1 1 A 109 109 PHE N N 109 118.900 119.576 -0.676 1
1 1306 . 9 1 1 A 109 109 PHE H H 109 7.282 8.006 -0.724 1
1 1307 . 9 1 1 A 109 109 PHE CA C 109 61.501 60.337 1.164 1
1 1308 . 9 1 1 A 109 109 PHE HA H 109 3.550 4.167 -0.617 1
1 1309 . 9 1 1 A 109 109 PHE CB C 109 38.201 38.348 -0.147 1
1 1322 . 9 1 1 A 109 109 PHE C C 109 176.181 177.927 -1.746 1
1 1323 . 9 1 1 A 110 110 TYR N N 110 120.089 119.253 0.836 1
1 1324 . 9 1 1 A 110 110 TYR H H 110 7.417 8.603 -1.186 1
1 1325 . 9 1 1 A 110 110 TYR CA C 110 60.263 61.552 -1.289 1
1 1326 . 9 1 1 A 110 110 TYR HA H 110 2.584 2.899 -0.315 1
1 1327 . 9 1 1 A 110 110 TYR CB C 110 38.138 38.040 0.098 1
1 1338 . 9 1 1 A 110 110 TYR C C 110 176.298 177.152 -0.854 1
1 1339 . 9 1 1 A 111 111 GLU N N 111 115.750 118.102 -2.352 1
1 1340 . 9 1 1 A 111 111 GLU H H 111 7.899 8.620 -0.721 1
1 1341 . 9 1 1 A 111 111 GLU CA C 111 58.712 58.936 -0.224 1
1 1342 . 9 1 1 A 111 111 GLU HA H 111 3.528 3.813 -0.285 1
1 1343 . 9 1 1 A 111 111 GLU CB C 111 29.429 29.721 -0.292 1
1 1349 . 9 1 1 A 111 111 GLU C C 111 178.367 178.600 -0.233 1
1 1350 . 9 1 1 A 112 112 LEU N N 112 118.646 121.950 -3.304 1
1 1351 . 9 1 1 A 112 112 LEU H H 112 6.922 7.980 -1.058 1
1 1352 . 9 1 1 A 112 112 LEU CA C 112 57.107 58.273 -1.166 1
1 1353 . 9 1 1 A 112 112 LEU HA H 112 3.775 3.783 -0.008 1
1 1354 . 9 1 1 A 112 112 LEU CB C 112 42.499 41.469 1.030 1
1 1367 . 9 1 1 A 112 112 LEU C C 112 178.820 177.962 0.858 1
1 1368 . 9 1 1 A 113 113 PHE N N 113 114.884 117.320 -2.436 1
1 1369 . 9 1 1 A 113 113 PHE H H 113 7.723 8.124 -0.401 1
1 1370 . 9 1 1 A 113 113 PHE CA C 113 57.108 60.707 -3.599 1
1 1371 . 9 1 1 A 113 113 PHE HA H 113 4.495 4.142 0.353 1
1 1372 . 9 1 1 A 113 113 PHE CB C 113 38.324 38.549 -0.225 1
1 1385 . 9 1 1 A 113 113 PHE C C 113 177.445 177.993 -0.548 1
1 1386 . 9 1 1 A 114 114 ARG N N 114 119.913 119.226 0.687 1
1 1387 . 9 1 1 A 114 114 ARG H H 114 7.840 7.546 0.294 1
1 1388 . 9 1 1 A 114 114 ARG CA C 114 57.747 58.668 -0.921 1
1 1389 . 9 1 1 A 114 114 ARG HA H 114 4.164 4.032 0.132 1
1 1390 . 9 1 1 A 114 114 ARG CB C 114 28.994 29.917 -0.923 1
1 1399 . 9 1 1 A 114 114 ARG C C 114 177.051 176.533 0.518 1
1 1400 . 9 1 1 A 115 115 GLY N N 115 108.376 105.776 2.600 1
1 1401 . 9 1 1 A 115 115 GLY H H 115 8.070 7.421 0.649 1
1 1402 . 9 1 1 A 115 115 GLY CA C 115 45.201 45.629 -0.428 1
1 1403 . 9 1 1 A 115 115 GLY HA2 H 115 3.873 3.953 -0.080 1
1 1404 . 9 1 1 A 115 115 GLY HA3 H 115 3.988 3.964 0.024 1
1 1405 . 9 1 1 A 115 115 GLY C C 115 173.987 172.655 1.332 1
1 1406 . 9 1 1 A 116 116 THR N N 116 116.618 114.702 1.916 1
1 1407 . 9 1 1 A 116 116 THR H H 116 7.858 8.456 -0.598 1
1 1408 . 9 1 1 A 116 116 THR CA C 116 60.032 60.522 -0.490 1
1 1409 . 9 1 1 A 116 116 THR HA H 116 4.620 4.564 0.056 1
1 1410 . 9 1 1 A 116 116 THR CB C 116 70.082 68.562 1.520 1
1 1416 . 9 1 1 A 116 116 THR C C 116 172.615 173.932 -1.317 1
1 1417 . 9 1 1 A 117 117 PRO CA C 117 63.086 62.179 0.907 1
1 1418 . 9 1 1 A 117 117 PRO HA H 117 4.451 4.581 -0.130 1
1 1419 . 9 1 1 A 117 117 PRO CB C 117 32.220 32.606 -0.386 1
1 1428 . 9 1 1 A 117 117 PRO C C 117 176.812 176.792 0.020 1
1 1429 . 9 1 1 A 118 118 LEU N N 118 122.695 120.007 2.688 1
1 1430 . 9 1 1 A 118 118 LEU H H 118 8.424 8.424 0.000 1
1 1431 . 9 1 1 A 118 118 LEU CA C 118 55.266 54.804 0.462 1
1 1432 . 9 1 1 A 118 118 LEU HA H 118 4.276 4.266 0.010 1
1 1433 . 9 1 1 A 118 118 LEU CB C 118 42.339 42.888 -0.549 1
1 1446 . 9 1 1 A 118 118 LEU C C 118 177.027 176.034 0.993 1
1 1447 . 9 1 1 A 119 119 ARG N N 119 122.979 121.537 1.442 1
1 1448 . 9 1 1 A 119 119 ARG H H 119 8.250 8.401 -0.151 1
1 1449 . 9 1 1 A 119 119 ARG CA C 119 53.688 53.213 0.475 1
1 1450 . 9 1 1 A 119 119 ARG HA H 119 4.644 4.688 -0.044 1
1 1451 . 9 1 1 A 119 119 ARG CB C 119 30.469 33.716 -3.247 1
1 1460 . 9 1 1 A 119 119 ARG C C 119 174.019 174.524 -0.505 1
1 1461 . 9 1 1 A 120 120 PRO CA C 120 63.366 62.386 0.980 1
1 1462 . 9 1 1 A 120 120 PRO HA H 120 4.440 4.667 -0.227 1
1 1463 . 9 1 1 A 120 120 PRO CB C 120 31.958 33.285 -1.327 1
1 1472 . 9 1 1 A 120 120 PRO C C 120 176.104 175.189 0.915 1
1 1 . 10 1 1 A 6 6 SER CA C 6 58.867 57.451 1.416 1
1 2 . 10 1 1 A 6 6 SER HA H 6 4.432 4.975 -0.543 1
1 3 . 10 1 1 A 6 6 SER CB C 6 63.603 64.850 -1.247 1
1 6 . 10 1 1 A 6 6 SER C C 6 175.018 174.319 0.699 1
1 7 . 10 1 1 A 7 7 GLY N N 7 110.530 112.104 -1.574 1
1 8 . 10 1 1 A 7 7 GLY H H 7 8.382 8.594 -0.212 1
1 9 . 10 1 1 A 7 7 GLY CA C 7 45.311 45.031 0.280 1
1 10 . 10 1 1 A 7 7 GLY HA2 H 7 3.922 4.010 -0.088 1
1 11 . 10 1 1 A 7 7 GLY HA3 H 7 3.922 4.010 -0.088 1
1 12 . 10 1 1 A 7 7 GLY C C 7 173.740 174.038 -0.298 1
1 13 . 10 1 1 A 8 8 ASP N N 8 120.471 122.059 -1.588 1
1 14 . 10 1 1 A 8 8 ASP H H 8 8.121 8.320 -0.199 1
1 15 . 10 1 1 A 8 8 ASP CA C 8 54.214 54.456 -0.242 1
1 16 . 10 1 1 A 8 8 ASP HA H 8 4.560 4.735 -0.175 1
1 17 . 10 1 1 A 8 8 ASP CB C 8 41.172 41.514 -0.342 1
1 20 . 10 1 1 A 8 8 ASP C C 8 176.082 175.826 0.256 1
1 21 . 10 1 1 A 9 9 ILE N N 9 121.785 124.333 -2.548 1
1 22 . 10 1 1 A 9 9 ILE H H 9 8.115 8.689 -0.574 1
1 23 . 10 1 1 A 9 9 ILE CA C 9 60.327 60.675 -0.348 1
1 24 . 10 1 1 A 9 9 ILE HA H 9 4.083 4.375 -0.292 1
1 25 . 10 1 1 A 9 9 ILE CB C 9 38.394 38.042 0.352 1
1 38 . 10 1 1 A 9 9 ILE C C 9 175.579 177.659 -2.080 1
1 39 . 10 1 1 A 10 10 ARG N N 10 125.977 125.291 0.686 1
1 40 . 10 1 1 A 10 10 ARG H H 10 8.319 8.793 -0.474 1
1 41 . 10 1 1 A 10 10 ARG CA C 10 54.661 60.849 -6.188 1
1 42 . 10 1 1 A 10 10 ARG HA H 10 4.493 4.004 0.489 1
1 43 . 10 1 1 A 10 10 ARG CB C 10 29.730 29.490 0.240 1
1 52 . 10 1 1 A 10 10 ARG C C 10 175.511 175.985 -0.474 1
1 53 . 10 1 1 A 11 11 PRO CA C 11 65.595 66.111 -0.516 1
1 54 . 10 1 1 A 11 11 PRO HA H 11 4.064 4.277 -0.213 1
1 55 . 10 1 1 A 11 11 PRO CB C 11 31.690 30.553 1.137 1
1 64 . 10 1 1 A 12 12 SER CA C 12 60.656 62.037 -1.381 1
1 65 . 10 1 1 A 12 12 SER HA H 12 4.194 4.139 0.055 1
1 66 . 10 1 1 A 12 12 SER CB C 12 62.321 62.567 -0.246 1
1 69 . 10 1 1 A 13 13 LYS H H 13 7.510 8.094 -0.584 1
1 70 . 10 1 1 A 13 13 LYS CA C 13 58.585 59.961 -1.376 1
1 71 . 10 1 1 A 13 13 LYS HA H 13 4.186 3.988 0.198 1
1 72 . 10 1 1 A 13 13 LYS CB C 13 32.274 32.515 -0.241 1
1 84 . 10 1 1 A 13 13 LYS C C 13 179.028 178.315 0.713 1
1 85 . 10 1 1 A 14 14 LEU N N 14 121.315 120.289 1.026 1
1 86 . 10 1 1 A 14 14 LEU H H 14 7.968 7.856 0.112 1
1 87 . 10 1 1 A 14 14 LEU CA C 14 57.648 58.254 -0.606 1
1 88 . 10 1 1 A 14 14 LEU HA H 14 3.889 3.551 0.338 1
1 89 . 10 1 1 A 14 14 LEU CB C 14 42.171 41.495 0.676 1
1 102 . 10 1 1 A 14 14 LEU C C 14 178.689 178.537 0.152 1
1 103 . 10 1 1 A 15 15 LEU N N 15 120.526 119.829 0.697 1
1 104 . 10 1 1 A 15 15 LEU H H 15 8.546 8.027 0.519 1
1 105 . 10 1 1 A 15 15 LEU CA C 15 59.227 58.514 0.713 1
1 106 . 10 1 1 A 15 15 LEU HA H 15 4.038 4.125 -0.087 1
1 107 . 10 1 1 A 15 15 LEU CB C 15 40.993 41.834 -0.841 1
1 120 . 10 1 1 A 15 15 LEU C C 15 178.020 178.697 -0.677 1
1 121 . 10 1 1 A 16 16 THR N N 16 114.667 113.581 1.086 1
1 122 . 10 1 1 A 16 16 THR H H 16 7.945 7.942 0.003 1
1 123 . 10 1 1 A 16 16 THR CA C 16 66.778 66.381 0.397 1
1 124 . 10 1 1 A 16 16 THR HA H 16 4.162 3.952 0.210 1
1 125 . 10 1 1 A 16 16 THR CB C 16 68.914 68.426 0.488 1
1 131 . 10 1 1 A 16 16 THR C C 16 176.419 176.601 -0.182 1
1 132 . 10 1 1 A 17 17 TRP N N 17 122.548 121.239 1.309 1
1 133 . 10 1 1 A 17 17 TRP H H 17 8.242 8.123 0.119 1
1 134 . 10 1 1 A 17 17 TRP CA C 17 63.006 61.570 1.436 1
1 135 . 10 1 1 A 17 17 TRP HA H 17 4.442 4.283 0.159 1
1 136 . 10 1 1 A 17 17 TRP CB C 17 28.530 30.002 -1.472 1
1 151 . 10 1 1 A 17 17 TRP C C 17 178.678 177.680 0.998 1
1 152 . 10 1 1 A 18 18 CYS N N 18 117.202 116.903 0.299 1
1 153 . 10 1 1 A 18 18 CYS H H 18 8.993 8.252 0.741 1
1 154 . 10 1 1 A 18 18 CYS CA C 18 64.830 63.508 1.322 1
1 155 . 10 1 1 A 18 18 CYS HA H 18 3.855 3.814 0.041 1
1 156 . 10 1 1 A 18 18 CYS CB C 18 27.945 27.181 0.764 1
1 159 . 10 1 1 A 18 18 CYS C C 18 178.411 177.129 1.282 1
1 160 . 10 1 1 A 19 19 GLN N N 19 120.296 119.680 0.616 1
1 161 . 10 1 1 A 19 19 GLN H H 19 8.696 8.678 0.018 1
1 162 . 10 1 1 A 19 19 GLN CA C 19 59.705 59.209 0.496 1
1 163 . 10 1 1 A 19 19 GLN HA H 19 3.654 3.882 -0.228 1
1 164 . 10 1 1 A 19 19 GLN CB C 19 27.820 28.236 -0.416 1
1 173 . 10 1 1 A 19 19 GLN C C 19 177.957 178.864 -0.907 1
1 174 . 10 1 1 A 20 20 GLN N N 20 119.247 118.733 0.514 1
1 175 . 10 1 1 A 20 20 GLN H H 20 8.306 8.118 0.188 1
1 176 . 10 1 1 A 20 20 GLN CA C 20 58.838 58.929 -0.091 1
1 177 . 10 1 1 A 20 20 GLN HA H 20 4.016 3.876 0.140 1
1 178 . 10 1 1 A 20 20 GLN CB C 20 28.000 28.269 -0.269 1
1 187 . 10 1 1 A 20 20 GLN C C 20 179.476 178.801 0.675 1
1 188 . 10 1 1 A 21 21 GLN N N 21 113.337 118.796 -5.459 1
1 189 . 10 1 1 A 21 21 GLN H H 21 7.999 7.652 0.347 1
1 190 . 10 1 1 A 21 21 GLN CA C 21 55.909 58.768 -2.859 1
1 191 . 10 1 1 A 21 21 GLN HA H 21 4.043 3.730 0.313 1
1 192 . 10 1 1 A 21 21 GLN CB C 21 27.676 27.774 -0.098 1
1 201 . 10 1 1 A 21 21 GLN C C 21 177.394 176.808 0.586 1
1 202 . 10 1 1 A 22 22 THR N N 22 103.485 108.808 -5.323 1
1 203 . 10 1 1 A 22 22 THR H H 22 7.119 7.644 -0.525 1
1 204 . 10 1 1 A 22 22 THR CA C 22 61.272 60.393 0.879 1
1 205 . 10 1 1 A 22 22 THR HA H 22 4.092 4.316 -0.224 1
1 206 . 10 1 1 A 22 22 THR CB C 22 69.448 68.089 1.359 1
1 212 . 10 1 1 A 22 22 THR C C 22 174.644 174.622 0.022 1
1 213 . 10 1 1 A 23 23 GLU N N 23 125.366 121.638 3.728 1
1 214 . 10 1 1 A 23 23 GLU H H 23 6.949 7.859 -0.910 1
1 215 . 10 1 1 A 23 23 GLU CA C 23 58.389 58.159 0.230 1
1 216 . 10 1 1 A 23 23 GLU HA H 23 3.999 4.147 -0.148 1
1 217 . 10 1 1 A 23 23 GLU CB C 23 29.683 30.110 -0.427 1
1 223 . 10 1 1 A 23 23 GLU C C 23 177.061 177.882 -0.821 1
1 224 . 10 1 1 A 24 24 GLY N N 24 112.717 106.706 6.011 1
1 225 . 10 1 1 A 24 24 GLY H H 24 8.732 7.997 0.735 1
1 226 . 10 1 1 A 24 24 GLY CA C 24 45.326 45.304 0.022 1
1 227 . 10 1 1 A 24 24 GLY HA2 H 24 3.988 3.915 0.073 1
1 228 . 10 1 1 A 24 24 GLY HA3 H 24 3.538 3.934 -0.396 1
1 229 . 10 1 1 A 24 24 GLY C C 24 174.531 173.416 1.115 1
1 230 . 10 1 1 A 25 25 TYR N N 25 120.189 119.333 0.856 1
1 231 . 10 1 1 A 25 25 TYR H H 25 7.488 7.731 -0.243 1
1 232 . 10 1 1 A 25 25 TYR CA C 25 59.028 57.731 1.297 1
1 233 . 10 1 1 A 25 25 TYR HA H 25 3.947 4.501 -0.554 1
1 234 . 10 1 1 A 25 25 TYR CB C 25 37.202 39.662 -2.460 1
1 245 . 10 1 1 A 25 25 TYR C C 25 176.354 175.843 0.511 1
1 246 . 10 1 1 A 26 26 GLN N N 26 125.301 123.128 2.173 1
1 247 . 10 1 1 A 26 26 GLN H H 26 8.877 8.505 0.372 1
1 248 . 10 1 1 A 26 26 GLN CA C 26 56.923 56.478 0.445 1
1 249 . 10 1 1 A 26 26 GLN HA H 26 3.866 4.229 -0.363 1
1 250 . 10 1 1 A 26 26 GLN CB C 26 28.808 29.068 -0.260 1
1 259 . 10 1 1 A 26 26 GLN C C 26 175.582 176.325 -0.743 1
1 260 . 10 1 1 A 27 27 HIS N N 27 111.738 116.886 -5.148 1
1 261 . 10 1 1 A 27 27 HIS H H 27 8.581 8.481 0.100 1
1 262 . 10 1 1 A 27 27 HIS CA C 27 56.937 57.122 -0.185 1
1 263 . 10 1 1 A 27 27 HIS HA H 27 4.174 4.000 0.174 1
1 264 . 10 1 1 A 27 27 HIS CB C 27 26.839 26.820 0.019 1
1 271 . 10 1 1 A 27 27 HIS C C 27 172.979 174.196 -1.217 1
1 272 . 10 1 1 A 28 28 VAL N N 28 118.229 118.610 -0.381 1
1 273 . 10 1 1 A 28 28 VAL H H 28 7.377 7.598 -0.221 1
1 274 . 10 1 1 A 28 28 VAL CA C 28 61.927 61.529 0.398 1
1 275 . 10 1 1 A 28 28 VAL HA H 28 3.922 4.238 -0.316 1
1 276 . 10 1 1 A 28 28 VAL CB C 28 33.373 33.085 0.288 1
1 286 . 10 1 1 A 28 28 VAL C C 28 174.687 173.534 1.153 1
1 287 . 10 1 1 A 29 29 ASN N N 29 125.832 127.933 -2.101 1
1 288 . 10 1 1 A 29 29 ASN H H 29 8.604 9.077 -0.473 1
1 289 . 10 1 1 A 29 29 ASN CA C 29 52.651 51.653 0.998 1
1 290 . 10 1 1 A 29 29 ASN HA H 29 4.682 5.179 -0.497 1
1 291 . 10 1 1 A 29 29 ASN CB C 29 39.124 39.292 -0.168 1
1 297 . 10 1 1 A 29 29 ASN C C 29 173.380 173.764 -0.384 1
1 298 . 10 1 1 A 30 30 VAL N N 30 125.146 126.374 -1.228 1
1 299 . 10 1 1 A 30 30 VAL H H 30 9.203 8.826 0.377 1
1 300 . 10 1 1 A 30 30 VAL CA C 30 63.838 63.088 0.750 1
1 301 . 10 1 1 A 30 30 VAL HA H 30 3.699 4.001 -0.302 1
1 302 . 10 1 1 A 30 30 VAL CB C 30 31.136 30.741 0.395 1
1 312 . 10 1 1 A 30 30 VAL C C 30 176.046 175.771 0.275 1
1 313 . 10 1 1 A 31 31 THR N N 31 118.952 122.301 -3.349 1
1 314 . 10 1 1 A 31 31 THR H H 31 8.396 8.694 -0.298 1
1 315 . 10 1 1 A 31 31 THR CA C 31 60.985 63.246 -2.261 1
1 316 . 10 1 1 A 31 31 THR HA H 31 4.316 4.504 -0.188 1
1 317 . 10 1 1 A 31 31 THR CB C 31 70.087 70.513 -0.426 1
1 323 . 10 1 1 A 31 31 THR C C 31 173.296 174.053 -0.757 1
1 324 . 10 1 1 A 32 32 ASP N N 32 120.757 118.956 1.801 1
1 325 . 10 1 1 A 32 32 ASP H H 32 8.078 7.515 0.563 1
1 326 . 10 1 1 A 32 32 ASP CA C 32 53.069 52.994 0.075 1
1 327 . 10 1 1 A 32 32 ASP HA H 32 4.536 5.198 -0.662 1
1 328 . 10 1 1 A 32 32 ASP CB C 32 41.527 45.279 -3.752 1
1 331 . 10 1 1 A 32 32 ASP C C 32 174.931 175.617 -0.686 1
1 332 . 10 1 1 A 33 33 LEU N N 33 117.024 120.918 -3.894 1
1 333 . 10 1 1 A 33 33 LEU H H 33 8.733 8.596 0.137 1
1 334 . 10 1 1 A 33 33 LEU CA C 33 54.453 54.231 0.222 1
1 335 . 10 1 1 A 33 33 LEU HA H 33 4.834 4.922 -0.088 1
1 336 . 10 1 1 A 33 33 LEU CB C 33 41.867 41.627 0.240 1
1 349 . 10 1 1 A 33 33 LEU C C 33 174.039 177.060 -3.021 1
1 350 . 10 1 1 A 34 34 THR N N 34 103.873 111.821 -7.948 1
1 351 . 10 1 1 A 34 34 THR H H 34 7.900 7.879 0.021 1
1 352 . 10 1 1 A 34 34 THR CA C 34 60.434 62.583 -2.149 1
1 353 . 10 1 1 A 34 34 THR HA H 34 4.519 4.634 -0.115 1
1 354 . 10 1 1 A 34 34 THR CB C 34 70.237 69.964 0.273 1
1 360 . 10 1 1 A 34 34 THR C C 34 175.954 175.745 0.209 1
1 361 . 10 1 1 A 35 35 THR N N 35 118.103 115.127 2.976 1
1 362 . 10 1 1 A 35 35 THR H H 35 9.363 8.567 0.796 1
1 363 . 10 1 1 A 35 35 THR CA C 35 66.422 65.133 1.289 1
1 364 . 10 1 1 A 35 35 THR HA H 35 3.981 4.160 -0.179 1
1 365 . 10 1 1 A 35 35 THR CB C 35 68.720 68.620 0.100 1
1 371 . 10 1 1 A 35 35 THR C C 35 177.778 177.291 0.487 1
1 372 . 10 1 1 A 36 36 SER N N 36 120.417 116.649 3.768 1
1 373 . 10 1 1 A 36 36 SER H H 36 10.544 8.317 2.227 1
1 374 . 10 1 1 A 36 36 SER CA C 36 61.076 61.892 -0.816 1
1 375 . 10 1 1 A 36 36 SER HA H 36 4.395 4.191 0.204 1
1 376 . 10 1 1 A 36 36 SER CB C 36 63.485 63.141 0.344 1
1 379 . 10 1 1 A 36 36 SER C C 36 173.956 175.367 -1.411 1
1 380 . 10 1 1 A 37 37 TRP N N 37 121.387 118.920 2.467 1
1 381 . 10 1 1 A 37 37 TRP H H 37 8.126 8.070 0.056 1
1 382 . 10 1 1 A 37 37 TRP CA C 37 57.689 56.463 1.226 1
1 383 . 10 1 1 A 37 37 TRP HA H 37 4.340 5.060 -0.720 1
1 384 . 10 1 1 A 37 37 TRP CB C 37 28.915 29.285 -0.370 1
1 399 . 10 1 1 A 37 37 TRP C C 37 176.751 176.876 -0.125 1
1 400 . 10 1 1 A 38 38 ARG N N 38 121.787 119.881 1.906 1
1 401 . 10 1 1 A 38 38 ARG H H 38 7.473 8.245 -0.772 1
1 402 . 10 1 1 A 38 38 ARG CA C 38 60.250 58.877 1.373 1
1 403 . 10 1 1 A 38 38 ARG HA H 38 4.065 4.211 -0.146 1
1 404 . 10 1 1 A 38 38 ARG CB C 38 30.807 30.001 0.806 1
1 415 . 10 1 1 A 38 38 ARG C C 38 177.636 178.385 -0.749 1
1 416 . 10 1 1 A 39 39 SER N N 39 110.340 114.211 -3.871 1
1 417 . 10 1 1 A 39 39 SER H H 39 8.665 7.716 0.949 1
1 418 . 10 1 1 A 39 39 SER CA C 39 59.336 59.189 0.147 1
1 419 . 10 1 1 A 39 39 SER HA H 39 4.349 4.486 -0.137 1
1 420 . 10 1 1 A 39 39 SER CB C 39 64.907 64.365 0.542 1
1 423 . 10 1 1 A 39 39 SER C C 39 174.768 174.606 0.162 1
1 424 . 10 1 1 A 40 40 GLY N N 40 109.467 108.947 0.520 1
1 425 . 10 1 1 A 40 40 GLY H H 40 7.549 7.840 -0.291 1
1 426 . 10 1 1 A 40 40 GLY CA C 40 46.347 45.371 0.976 1
1 427 . 10 1 1 A 40 40 GLY HA2 H 40 3.875 3.863 0.012 1
1 428 . 10 1 1 A 40 40 GLY HA3 H 40 3.915 3.898 0.017 1
1 429 . 10 1 1 A 40 40 GLY C C 40 173.725 175.976 -2.251 1
1 430 . 10 1 1 A 41 41 LEU N N 41 117.562 121.835 -4.273 1
1 431 . 10 1 1 A 41 41 LEU H H 41 7.287 8.188 -0.901 1
1 432 . 10 1 1 A 41 41 LEU CA C 41 57.482 57.502 -0.020 1
1 433 . 10 1 1 A 41 41 LEU HA H 41 3.882 3.940 -0.058 1
1 434 . 10 1 1 A 41 41 LEU CB C 41 42.615 41.823 0.792 1
1 447 . 10 1 1 A 41 41 LEU C C 41 178.159 178.752 -0.593 1
1 448 . 10 1 1 A 42 42 ALA N N 42 121.758 121.721 0.037 1
1 449 . 10 1 1 A 42 42 ALA H H 42 8.506 8.024 0.482 1
1 450 . 10 1 1 A 42 42 ALA CA C 42 55.694 55.010 0.684 1
1 451 . 10 1 1 A 42 42 ALA HA H 42 3.582 3.744 -0.162 1
1 452 . 10 1 1 A 42 42 ALA CB C 42 17.039 17.767 -0.728 1
1 456 . 10 1 1 A 42 42 ALA C C 42 178.076 179.275 -1.199 1
1 457 . 10 1 1 A 43 43 LEU N N 43 118.332 119.254 -0.922 1
1 458 . 10 1 1 A 43 43 LEU H H 43 8.933 7.822 1.111 1
1 459 . 10 1 1 A 43 43 LEU CA C 43 57.425 57.861 -0.436 1
1 460 . 10 1 1 A 43 43 LEU HA H 43 4.308 4.148 0.160 1
1 461 . 10 1 1 A 43 43 LEU CB C 43 42.068 41.844 0.224 1
1 474 . 10 1 1 A 43 43 LEU C C 43 179.198 178.447 0.751 1
1 475 . 10 1 1 A 44 44 CYS N N 44 115.098 116.933 -1.835 1
1 476 . 10 1 1 A 44 44 CYS H H 44 7.607 8.391 -0.784 1
1 477 . 10 1 1 A 44 44 CYS CA C 44 65.664 62.585 3.079 1
1 478 . 10 1 1 A 44 44 CYS HA H 44 4.035 4.112 -0.077 1
1 479 . 10 1 1 A 44 44 CYS CB C 44 27.516 26.677 0.839 1
1 482 . 10 1 1 A 44 44 CYS C C 44 176.222 177.425 -1.203 1
1 483 . 10 1 1 A 45 45 ALA N N 45 121.778 121.667 0.111 1
1 484 . 10 1 1 A 45 45 ALA H H 45 8.435 7.867 0.568 1
1 485 . 10 1 1 A 45 45 ALA CA C 45 55.306 54.875 0.431 1
1 486 . 10 1 1 A 45 45 ALA HA H 45 3.184 4.065 -0.881 1
1 487 . 10 1 1 A 45 45 ALA CB C 45 17.395 17.666 -0.271 1
1 491 . 10 1 1 A 45 45 ALA C C 45 177.510 179.731 -2.221 1
1 492 . 10 1 1 A 46 46 ILE N N 46 116.463 117.776 -1.313 1
1 493 . 10 1 1 A 46 46 ILE H H 46 7.527 7.768 -0.241 1
1 494 . 10 1 1 A 46 46 ILE CA C 46 65.137 65.086 0.051 1
1 495 . 10 1 1 A 46 46 ILE HA H 46 3.267 3.542 -0.275 1
1 496 . 10 1 1 A 46 46 ILE CB C 46 37.084 38.198 -1.114 1
1 509 . 10 1 1 A 46 46 ILE C C 46 176.744 178.627 -1.883 1
1 510 . 10 1 1 A 47 47 ILE N N 47 115.676 120.081 -4.405 1
1 511 . 10 1 1 A 47 47 ILE H H 47 7.786 7.937 -0.151 1
1 512 . 10 1 1 A 47 47 ILE CA C 47 66.948 65.683 1.265 1
1 513 . 10 1 1 A 47 47 ILE HA H 47 3.754 3.919 -0.165 1
1 514 . 10 1 1 A 47 47 ILE CB C 47 38.335 38.338 -0.003 1
1 527 . 10 1 1 A 47 47 ILE C C 47 176.853 178.383 -1.530 1
1 528 . 10 1 1 A 48 48 HIS N N 48 120.066 119.566 0.500 1
1 529 . 10 1 1 A 48 48 HIS H H 48 8.569 8.700 -0.131 1
1 530 . 10 1 1 A 48 48 HIS CA C 48 60.767 60.203 0.564 1
1 531 . 10 1 1 A 48 48 HIS HA H 48 3.918 4.321 -0.403 1
1 532 . 10 1 1 A 48 48 HIS CB C 48 31.245 30.010 1.235 1
1 539 . 10 1 1 A 48 48 HIS C C 48 175.841 177.007 -1.166 1
1 540 . 10 1 1 A 49 49 ARG N N 49 118.781 117.708 1.073 1
1 541 . 10 1 1 A 49 49 ARG H H 49 8.572 8.461 0.111 1
1 542 . 10 1 1 A 49 49 ARG CA C 49 58.152 59.181 -1.029 1
1 543 . 10 1 1 A 49 49 ARG HA H 49 3.680 3.916 -0.236 1
1 544 . 10 1 1 A 49 49 ARG CB C 49 28.454 30.005 -1.551 1
1 555 . 10 1 1 A 49 49 ARG C C 49 177.830 179.030 -1.200 1
1 556 . 10 1 1 A 50 50 PHE N N 50 113.909 117.973 -4.064 1
1 557 . 10 1 1 A 50 50 PHE H H 50 6.900 7.847 -0.947 1
1 558 . 10 1 1 A 50 50 PHE CA C 50 59.885 60.474 -0.589 1
1 559 . 10 1 1 A 50 50 PHE HA H 50 4.281 4.354 -0.073 1
1 560 . 10 1 1 A 50 50 PHE CB C 50 41.527 38.846 2.681 1
1 573 . 10 1 1 A 50 50 PHE C C 50 176.867 176.099 0.768 1
1 574 . 10 1 1 A 51 51 ARG N N 51 120.652 118.819 1.833 1
1 575 . 10 1 1 A 51 51 ARG H H 51 9.059 8.349 0.710 1
1 576 . 10 1 1 A 51 51 ARG CA C 51 51.499 53.791 -2.292 1
1 577 . 10 1 1 A 51 51 ARG HA H 51 4.942 4.822 0.120 1
1 578 . 10 1 1 A 51 51 ARG CB C 51 30.307 30.617 -0.310 1
1 589 . 10 1 1 A 51 51 ARG C C 51 172.670 174.650 -1.980 1
1 590 . 10 1 1 A 52 52 PRO CA C 52 64.948 64.145 0.803 1
1 591 . 10 1 1 A 52 52 PRO HA H 52 4.343 4.359 -0.016 1
1 592 . 10 1 1 A 52 52 PRO CB C 52 31.091 31.454 -0.363 1
1 601 . 10 1 1 A 52 52 PRO C C 52 177.406 177.532 -0.126 1
1 602 . 10 1 1 A 53 53 GLU N N 53 118.219 116.460 1.759 1
1 603 . 10 1 1 A 53 53 GLU H H 53 9.784 8.979 0.805 1
1 604 . 10 1 1 A 53 53 GLU CA C 53 57.285 58.918 -1.633 1
1 605 . 10 1 1 A 53 53 GLU HA H 53 4.322 4.157 0.165 1
1 606 . 10 1 1 A 53 53 GLU CB C 53 27.771 28.977 -1.206 1
1 612 . 10 1 1 A 53 53 GLU C C 53 177.957 179.219 -1.262 1
1 613 . 10 1 1 A 54 54 LEU N N 54 119.316 118.857 0.459 1
1 614 . 10 1 1 A 54 54 LEU H H 54 8.212 7.222 0.990 1
1 615 . 10 1 1 A 54 54 LEU CA C 54 55.943 56.984 -1.041 1
1 616 . 10 1 1 A 54 54 LEU HA H 54 4.337 4.231 0.106 1
1 617 . 10 1 1 A 54 54 LEU CB C 54 43.122 42.911 0.211 1
1 630 . 10 1 1 A 54 54 LEU C C 54 177.159 177.018 0.141 1
1 631 . 10 1 1 A 55 55 ILE N N 55 115.493 117.983 -2.490 1
1 632 . 10 1 1 A 55 55 ILE H H 55 6.990 7.924 -0.934 1
1 633 . 10 1 1 A 55 55 ILE CA C 55 59.645 59.641 0.004 1
1 634 . 10 1 1 A 55 55 ILE HA H 55 4.230 4.753 -0.523 1
1 635 . 10 1 1 A 55 55 ILE CB C 55 43.159 41.698 1.461 1
1 648 . 10 1 1 A 55 55 ILE C C 55 173.302 174.504 -1.202 1
1 649 . 10 1 1 A 56 56 ASN N N 56 124.568 124.927 -0.359 1
1 650 . 10 1 1 A 56 56 ASN H H 56 8.984 8.808 0.176 1
1 651 . 10 1 1 A 56 56 ASN CA C 56 51.198 51.539 -0.341 1
1 652 . 10 1 1 A 56 56 ASN HA H 56 5.100 5.195 -0.095 1
1 653 . 10 1 1 A 56 56 ASN CB C 56 36.452 39.316 -2.864 1
1 659 . 10 1 1 A 56 56 ASN C C 56 175.902 175.462 0.440 1
1 660 . 10 1 1 A 57 57 PHE N N 57 126.548 126.519 0.029 1
1 661 . 10 1 1 A 57 57 PHE H H 57 7.219 8.821 -1.602 1
1 662 . 10 1 1 A 57 57 PHE CA C 57 62.399 62.352 0.047 1
1 663 . 10 1 1 A 57 57 PHE HA H 57 3.514 3.946 -0.432 1
1 664 . 10 1 1 A 57 57 PHE CB C 57 39.553 39.753 -0.200 1
1 677 . 10 1 1 A 57 57 PHE C C 57 176.597 176.484 0.113 1
1 678 . 10 1 1 A 58 58 ASP N N 58 116.755 118.485 -1.730 1
1 679 . 10 1 1 A 58 58 ASP H H 58 8.691 8.359 0.332 1
1 680 . 10 1 1 A 58 58 ASP CA C 58 56.635 57.272 -0.637 1
1 681 . 10 1 1 A 58 58 ASP HA H 58 4.324 4.300 0.024 1
1 682 . 10 1 1 A 58 58 ASP CB C 58 40.262 40.530 -0.268 1
1 685 . 10 1 1 A 58 58 ASP C C 58 176.562 178.207 -1.645 1
1 686 . 10 1 1 A 59 59 SER N N 59 112.320 113.204 -0.884 1
1 687 . 10 1 1 A 59 59 SER H H 59 7.412 7.949 -0.537 1
1 688 . 10 1 1 A 59 59 SER CA C 59 58.740 61.175 -2.435 1
1 689 . 10 1 1 A 59 59 SER HA H 59 4.365 4.312 0.053 1
1 690 . 10 1 1 A 59 59 SER CB C 59 64.598 63.074 1.524 1
1 693 . 10 1 1 A 59 59 SER C C 59 174.309 174.630 -0.321 1
1 694 . 10 1 1 A 60 60 LEU N N 60 121.693 121.889 -0.196 1
1 695 . 10 1 1 A 60 60 LEU H H 60 7.176 7.420 -0.244 1
1 696 . 10 1 1 A 60 60 LEU CA C 60 54.593 55.741 -1.148 1
1 697 . 10 1 1 A 60 60 LEU HA H 60 4.196 3.999 0.197 1
1 698 . 10 1 1 A 60 60 LEU CB C 60 40.943 41.964 -1.021 1
1 711 . 10 1 1 A 60 60 LEU C C 60 176.774 175.921 0.853 1
1 712 . 10 1 1 A 61 61 ASN N N 61 121.648 124.239 -2.591 1
1 713 . 10 1 1 A 61 61 ASN H H 61 9.391 8.437 0.954 1
1 714 . 10 1 1 A 61 61 ASN CA C 61 51.763 51.770 -0.007 1
1 715 . 10 1 1 A 61 61 ASN HA H 61 4.721 4.844 -0.123 1
1 716 . 10 1 1 A 61 61 ASN CB C 61 40.025 39.719 0.306 1
1 722 . 10 1 1 A 61 61 ASN C C 61 176.599 175.323 1.276 1
1 723 . 10 1 1 A 62 62 GLU N N 62 126.707 126.820 -0.113 1
1 724 . 10 1 1 A 62 62 GLU H H 62 9.255 8.851 0.404 1
1 725 . 10 1 1 A 62 62 GLU CA C 62 58.926 60.372 -1.446 1
1 726 . 10 1 1 A 62 62 GLU HA H 62 3.688 3.825 -0.137 1
1 727 . 10 1 1 A 62 62 GLU CB C 62 29.479 29.483 -0.004 1
1 733 . 10 1 1 A 62 62 GLU C C 62 176.196 177.789 -1.593 1
1 734 . 10 1 1 A 63 63 ASP N N 63 116.763 119.838 -3.075 1
1 735 . 10 1 1 A 63 63 ASP H H 63 8.317 8.522 -0.205 1
1 736 . 10 1 1 A 63 63 ASP CA C 63 55.499 56.590 -1.091 1
1 737 . 10 1 1 A 63 63 ASP HA H 63 4.509 4.386 0.123 1
1 738 . 10 1 1 A 63 63 ASP CB C 63 40.697 40.398 0.299 1
1 741 . 10 1 1 A 63 63 ASP C C 63 177.195 177.428 -0.233 1
1 742 . 10 1 1 A 64 64 ASP N N 64 123.036 117.399 5.637 1
1 743 . 10 1 1 A 64 64 ASP H H 64 7.422 8.318 -0.896 1
1 744 . 10 1 1 A 64 64 ASP CA C 64 52.760 53.506 -0.746 1
1 745 . 10 1 1 A 64 64 ASP HA H 64 4.949 4.919 0.030 1
1 746 . 10 1 1 A 64 64 ASP CB C 64 38.920 39.299 -0.379 1
1 749 . 10 1 1 A 64 64 ASP C C 64 174.979 176.235 -1.256 1
1 750 . 10 1 1 A 65 65 ALA N N 65 123.411 123.487 -0.076 1
1 751 . 10 1 1 A 65 65 ALA H H 65 7.527 7.899 -0.372 1
1 752 . 10 1 1 A 65 65 ALA CA C 65 55.750 55.191 0.559 1
1 753 . 10 1 1 A 65 65 ALA HA H 65 4.295 3.950 0.345 1
1 754 . 10 1 1 A 65 65 ALA CB C 65 19.889 18.677 1.212 1
1 758 . 10 1 1 A 65 65 ALA C C 65 181.114 179.950 1.164 1
1 759 . 10 1 1 A 66 66 VAL N N 66 119.151 118.224 0.927 1
1 760 . 10 1 1 A 66 66 VAL H H 66 8.305 8.090 0.215 1
1 761 . 10 1 1 A 66 66 VAL CA C 66 67.423 66.967 0.456 1
1 762 . 10 1 1 A 66 66 VAL HA H 66 3.292 3.614 -0.322 1
1 763 . 10 1 1 A 66 66 VAL CB C 66 31.418 31.705 -0.287 1
1 773 . 10 1 1 A 66 66 VAL C C 66 177.471 177.986 -0.515 1
1 774 . 10 1 1 A 67 67 GLU N N 67 117.895 118.708 -0.813 1
1 775 . 10 1 1 A 67 67 GLU H H 67 8.256 7.820 0.436 1
1 776 . 10 1 1 A 67 67 GLU CA C 67 59.831 59.629 0.202 1
1 777 . 10 1 1 A 67 67 GLU HA H 67 3.901 4.086 -0.185 1
1 778 . 10 1 1 A 67 67 GLU CB C 67 28.963 29.773 -0.810 1
1 784 . 10 1 1 A 67 67 GLU C C 67 179.796 179.235 0.561 1
1 785 . 10 1 1 A 68 68 ASN N N 68 119.611 118.135 1.476 1
1 786 . 10 1 1 A 68 68 ASN H H 68 9.019 8.586 0.433 1
1 787 . 10 1 1 A 68 68 ASN CA C 68 55.797 56.493 -0.696 1
1 788 . 10 1 1 A 68 68 ASN HA H 68 4.325 4.365 -0.040 1
1 789 . 10 1 1 A 68 68 ASN CB C 68 37.140 37.928 -0.788 1
1 795 . 10 1 1 A 68 68 ASN C C 68 177.193 178.182 -0.989 1
1 796 . 10 1 1 A 69 69 ASN N N 69 115.555 117.869 -2.314 1
1 797 . 10 1 1 A 69 69 ASN H H 69 7.589 8.245 -0.656 1
1 798 . 10 1 1 A 69 69 ASN CA C 69 57.155 56.052 1.103 1
1 799 . 10 1 1 A 69 69 ASN HA H 69 3.880 4.219 -0.339 1
1 800 . 10 1 1 A 69 69 ASN CB C 69 40.785 38.400 2.385 1
1 806 . 10 1 1 A 69 69 ASN C C 69 175.062 177.727 -2.665 1
1 807 . 10 1 1 A 70 70 GLN N N 70 115.794 118.196 -2.402 1
1 808 . 10 1 1 A 70 70 GLN H H 70 8.058 7.953 0.105 1
1 809 . 10 1 1 A 70 70 GLN CA C 70 58.400 59.105 -0.705 1
1 810 . 10 1 1 A 70 70 GLN HA H 70 3.591 4.248 -0.657 1
1 811 . 10 1 1 A 70 70 GLN CB C 70 29.420 28.400 1.020 1
1 820 . 10 1 1 A 70 70 GLN C C 70 176.954 178.565 -1.611 1
1 821 . 10 1 1 A 71 71 LEU N N 71 118.631 122.020 -3.389 1
1 822 . 10 1 1 A 71 71 LEU H H 71 8.090 8.207 -0.117 1
1 823 . 10 1 1 A 71 71 LEU CA C 71 58.121 58.330 -0.209 1
1 824 . 10 1 1 A 71 71 LEU HA H 71 4.291 4.076 0.215 1
1 825 . 10 1 1 A 71 71 LEU CB C 71 42.100 41.948 0.152 1
1 838 . 10 1 1 A 71 71 LEU C C 71 177.664 178.131 -0.467 1
1 839 . 10 1 1 A 72 72 ALA N N 72 119.977 120.704 -0.727 1
1 840 . 10 1 1 A 72 72 ALA H H 72 7.274 8.090 -0.816 1
1 841 . 10 1 1 A 72 72 ALA CA C 72 55.807 54.951 0.856 1
1 842 . 10 1 1 A 72 72 ALA HA H 72 3.873 4.101 -0.228 1
1 843 . 10 1 1 A 72 72 ALA CB C 72 18.412 18.305 0.107 1
1 847 . 10 1 1 A 72 72 ALA C C 72 179.676 180.006 -0.330 1
1 848 . 10 1 1 A 73 73 PHE N N 73 115.018 116.017 -0.999 1
1 849 . 10 1 1 A 73 73 PHE H H 73 8.722 7.942 0.780 1
1 850 . 10 1 1 A 73 73 PHE CA C 73 56.889 61.893 -5.004 1
1 851 . 10 1 1 A 73 73 PHE HA H 73 4.848 4.550 0.298 1
1 852 . 10 1 1 A 73 73 PHE CB C 73 37.404 38.819 -1.415 1
1 865 . 10 1 1 A 73 73 PHE C C 73 180.123 178.158 1.965 1
1 866 . 10 1 1 A 74 74 ASP N N 74 122.136 119.418 2.718 1
1 867 . 10 1 1 A 74 74 ASP H H 74 9.262 8.671 0.591 1
1 868 . 10 1 1 A 74 74 ASP CA C 74 57.648 57.621 0.027 1
1 869 . 10 1 1 A 74 74 ASP HA H 74 4.550 4.391 0.159 1
1 870 . 10 1 1 A 74 74 ASP CB C 74 40.073 41.508 -1.435 1
1 873 . 10 1 1 A 74 74 ASP C C 74 179.818 178.783 1.035 1
1 874 . 10 1 1 A 75 75 VAL N N 75 122.521 119.149 3.372 1
1 875 . 10 1 1 A 75 75 VAL H H 75 9.080 8.645 0.435 1
1 876 . 10 1 1 A 75 75 VAL CA C 75 66.894 66.318 0.576 1
1 877 . 10 1 1 A 75 75 VAL HA H 75 3.611 3.647 -0.036 1
1 878 . 10 1 1 A 75 75 VAL CB C 75 31.943 31.438 0.505 1
1 888 . 10 1 1 A 75 75 VAL C C 75 177.813 178.423 -0.610 1
1 889 . 10 1 1 A 76 76 ALA N N 76 121.109 121.945 -0.836 1
1 890 . 10 1 1 A 76 76 ALA H H 76 8.813 8.164 0.649 1
1 891 . 10 1 1 A 76 76 ALA CA C 76 55.181 55.308 -0.127 1
1 892 . 10 1 1 A 76 76 ALA HA H 76 4.092 4.178 -0.086 1
1 893 . 10 1 1 A 76 76 ALA CB C 76 19.324 18.953 0.371 1
1 897 . 10 1 1 A 76 76 ALA C C 76 180.373 180.432 -0.059 1
1 898 . 10 1 1 A 77 77 GLU N N 77 120.309 118.746 1.563 1
1 899 . 10 1 1 A 77 77 GLU H H 77 8.257 8.425 -0.168 1
1 900 . 10 1 1 A 77 77 GLU CA C 77 59.818 58.763 1.055 1
1 901 . 10 1 1 A 77 77 GLU HA H 77 3.982 4.215 -0.233 1
1 902 . 10 1 1 A 77 77 GLU CB C 77 30.530 29.640 0.890 1
1 908 . 10 1 1 A 77 77 GLU C C 77 178.591 177.732 0.859 1
1 909 . 10 1 1 A 78 78 ARG N N 78 119.060 118.698 0.362 1
1 910 . 10 1 1 A 78 78 ARG H H 78 8.325 7.755 0.570 1
1 911 . 10 1 1 A 78 78 ARG CA C 78 59.232 57.184 2.048 1
1 912 . 10 1 1 A 78 78 ARG HA H 78 4.048 4.355 -0.307 1
1 913 . 10 1 1 A 78 78 ARG CB C 78 31.462 31.000 0.462 1
1 924 . 10 1 1 A 78 78 ARG C C 78 178.327 177.904 0.423 1
1 925 . 10 1 1 A 79 79 GLU N N 79 114.012 118.545 -4.533 1
1 926 . 10 1 1 A 79 79 GLU H H 79 8.878 8.018 0.860 1
1 927 . 10 1 1 A 79 79 GLU CA C 79 56.599 58.303 -1.704 1
1 928 . 10 1 1 A 79 79 GLU HA H 79 4.329 4.248 0.081 1
1 929 . 10 1 1 A 79 79 GLU CB C 79 28.771 30.334 -1.563 1
1 935 . 10 1 1 A 79 79 GLU C C 79 178.301 178.043 0.258 1
1 936 . 10 1 1 A 80 80 PHE N N 80 113.394 117.229 -3.835 1
1 937 . 10 1 1 A 80 80 PHE H H 80 6.906 7.214 -0.308 1
1 938 . 10 1 1 A 80 80 PHE CA C 80 53.518 58.219 -4.701 1
1 939 . 10 1 1 A 80 80 PHE HA H 80 5.246 4.524 0.722 1
1 940 . 10 1 1 A 80 80 PHE CB C 80 39.910 39.205 0.705 1
1 953 . 10 1 1 A 80 80 PHE C C 80 176.487 176.190 0.297 1
1 954 . 10 1 1 A 81 81 GLY N N 81 108.698 108.926 -0.228 1
1 955 . 10 1 1 A 81 81 GLY H H 81 7.352 8.445 -1.093 1
1 956 . 10 1 1 A 81 81 GLY CA C 81 46.520 46.731 -0.211 1
1 957 . 10 1 1 A 81 81 GLY HA2 H 81 3.975 3.997 -0.022 1
1 958 . 10 1 1 A 81 81 GLY HA3 H 81 3.975 4.009 -0.034 1
1 959 . 10 1 1 A 81 81 GLY C C 81 174.711 174.487 0.224 1
1 960 . 10 1 1 A 82 82 ILE N N 82 122.486 122.392 0.094 1
1 961 . 10 1 1 A 82 82 ILE H H 82 7.507 7.999 -0.492 1
1 962 . 10 1 1 A 82 82 ILE CA C 82 58.810 58.129 0.681 1
1 963 . 10 1 1 A 82 82 ILE HA H 82 4.285 4.404 -0.119 1
1 964 . 10 1 1 A 82 82 ILE CB C 82 39.376 39.883 -0.507 1
1 977 . 10 1 1 A 82 82 ILE C C 82 172.836 174.994 -2.158 1
1 978 . 10 1 1 A 83 83 PRO CA C 83 60.989 62.173 -1.184 1
1 979 . 10 1 1 A 83 83 PRO HA H 83 4.589 4.769 -0.180 1
1 980 . 10 1 1 A 83 83 PRO CB C 83 31.107 32.076 -0.969 1
1 989 . 10 1 1 A 84 84 PRO CA C 84 62.860 62.374 0.486 1
1 990 . 10 1 1 A 84 84 PRO HA H 84 4.405 4.351 0.054 1
1 991 . 10 1 1 A 84 84 PRO CB C 84 32.638 31.573 1.065 1
1 1000 . 10 1 1 A 84 84 PRO C C 84 177.894 177.495 0.399 1
1 1001 . 10 1 1 A 85 85 VAL N N 85 114.062 119.047 -4.985 1
1 1002 . 10 1 1 A 85 85 VAL H H 85 6.621 7.868 -1.247 1
1 1003 . 10 1 1 A 85 85 VAL CA C 85 61.000 64.244 -3.244 1
1 1004 . 10 1 1 A 85 85 VAL HA H 85 4.080 3.745 0.335 1
1 1005 . 10 1 1 A 85 85 VAL CB C 85 32.725 31.775 0.950 1
1 1015 . 10 1 1 A 85 85 VAL C C 85 174.315 175.641 -1.326 1
1 1016 . 10 1 1 A 86 86 THR N N 86 114.774 114.418 0.356 1
1 1017 . 10 1 1 A 86 86 THR H H 86 6.827 7.233 -0.406 1
1 1018 . 10 1 1 A 86 86 THR CA C 86 59.336 59.583 -0.247 1
1 1019 . 10 1 1 A 86 86 THR HA H 86 4.442 4.655 -0.213 1
1 1020 . 10 1 1 A 86 86 THR CB C 86 68.016 71.798 -3.782 1
1 1026 . 10 1 1 A 86 86 THR C C 86 172.724 172.305 0.419 1
1 1027 . 10 1 1 A 87 87 THR N N 87 109.655 115.394 -5.739 1
1 1028 . 10 1 1 A 87 87 THR H H 87 8.313 8.449 -0.136 1
1 1029 . 10 1 1 A 87 87 THR CA C 87 59.870 59.920 -0.050 1
1 1030 . 10 1 1 A 87 87 THR HA H 87 5.000 4.590 0.410 1
1 1031 . 10 1 1 A 87 87 THR CB C 87 72.527 70.409 2.118 1
1 1037 . 10 1 1 A 87 87 THR C C 87 176.440 175.593 0.847 1
1 1038 . 10 1 1 A 88 88 GLY N N 88 110.531 110.923 -0.392 1
1 1039 . 10 1 1 A 88 88 GLY H H 88 9.655 9.043 0.612 1
1 1040 . 10 1 1 A 88 88 GLY CA C 88 49.124 47.662 1.462 1
1 1041 . 10 1 1 A 88 88 GLY HA2 H 88 4.115 4.032 0.083 1
1 1042 . 10 1 1 A 88 88 GLY HA3 H 88 3.755 4.138 -0.383 1
1 1043 . 10 1 1 A 88 88 GLY C C 88 175.154 175.960 -0.806 1
1 1044 . 10 1 1 A 89 89 LYS N N 89 119.606 121.634 -2.028 1
1 1045 . 10 1 1 A 89 89 LYS H H 89 8.542 8.133 0.409 1
1 1046 . 10 1 1 A 89 89 LYS CA C 89 59.687 59.643 0.044 1
1 1047 . 10 1 1 A 89 89 LYS HA H 89 4.030 3.977 0.053 1
1 1048 . 10 1 1 A 89 89 LYS CB C 89 32.733 32.303 0.430 1
1 1060 . 10 1 1 A 89 89 LYS C C 89 178.921 179.093 -0.172 1
1 1061 . 10 1 1 A 90 90 GLU N N 90 118.992 119.781 -0.789 1
1 1062 . 10 1 1 A 90 90 GLU H H 90 7.610 7.968 -0.358 1
1 1063 . 10 1 1 A 90 90 GLU CA C 90 59.238 59.286 -0.048 1
1 1064 . 10 1 1 A 90 90 GLU HA H 90 4.008 4.099 -0.091 1
1 1065 . 10 1 1 A 90 90 GLU CB C 90 29.946 29.216 0.730 1
1 1071 . 10 1 1 A 90 90 GLU C C 90 179.366 178.240 1.126 1
1 1072 . 10 1 1 A 91 91 MET N N 91 120.109 119.059 1.050 1
1 1073 . 10 1 1 A 91 91 MET H H 91 8.468 8.582 -0.114 1
1 1074 . 10 1 1 A 91 91 MET CA C 91 57.606 58.733 -1.127 1
1 1075 . 10 1 1 A 91 91 MET HA H 91 4.355 4.042 0.313 1
1 1076 . 10 1 1 A 91 91 MET CB C 91 32.364 32.510 -0.146 1
1 1086 . 10 1 1 A 91 91 MET C C 91 177.168 178.181 -1.013 1
1 1087 . 10 1 1 A 92 92 ALA N N 92 115.912 121.772 -5.860 1
1 1088 . 10 1 1 A 92 92 ALA H H 92 7.876 8.059 -0.183 1
1 1089 . 10 1 1 A 92 92 ALA CA C 92 53.278 54.776 -1.498 1
1 1090 . 10 1 1 A 92 92 ALA HA H 92 4.316 4.309 0.007 1
1 1091 . 10 1 1 A 92 92 ALA CB C 92 20.275 18.801 1.474 1
1 1095 . 10 1 1 A 92 92 ALA C C 92 178.672 179.846 -1.174 1
1 1096 . 10 1 1 A 93 93 SER N N 93 111.760 112.888 -1.128 1
1 1097 . 10 1 1 A 93 93 SER H H 93 7.431 8.121 -0.690 1
1 1098 . 10 1 1 A 93 93 SER CA C 93 58.584 61.515 -2.931 1
1 1099 . 10 1 1 A 93 93 SER HA H 93 4.471 4.078 0.393 1
1 1100 . 10 1 1 A 93 93 SER CB C 93 64.582 63.147 1.435 1
1 1103 . 10 1 1 A 93 93 SER C C 93 173.576 176.023 -2.447 1
1 1104 . 10 1 1 A 94 94 ALA N N 94 123.381 122.729 0.652 1
1 1105 . 10 1 1 A 94 94 ALA H H 94 7.903 7.961 -0.058 1
1 1106 . 10 1 1 A 94 94 ALA CA C 94 52.760 52.994 -0.234 1
1 1107 . 10 1 1 A 94 94 ALA HA H 94 4.267 4.149 0.118 1
1 1108 . 10 1 1 A 94 94 ALA CB C 94 18.364 19.140 -0.776 1
1 1112 . 10 1 1 A 94 94 ALA C C 94 177.611 177.764 -0.153 1
1 1113 . 10 1 1 A 95 95 GLN N N 95 120.874 124.898 -4.024 1
1 1114 . 10 1 1 A 95 95 GLN H H 95 8.305 8.509 -0.204 1
1 1115 . 10 1 1 A 95 95 GLN CA C 95 56.821 58.995 -2.174 1
1 1116 . 10 1 1 A 95 95 GLN HA H 95 4.185 4.040 0.145 1
1 1117 . 10 1 1 A 95 95 GLN CB C 95 29.052 28.829 0.223 1
1 1126 . 10 1 1 A 95 95 GLN C C 95 175.975 176.313 -0.338 1
1 1127 . 10 1 1 A 96 96 GLU N N 96 120.251 117.847 2.404 1
1 1128 . 10 1 1 A 96 96 GLU H H 96 8.402 7.950 0.452 1
1 1129 . 10 1 1 A 96 96 GLU CA C 96 54.378 53.026 1.352 1
1 1130 . 10 1 1 A 96 96 GLU HA H 96 4.537 4.745 -0.208 1
1 1131 . 10 1 1 A 96 96 GLU CB C 96 30.216 30.760 -0.544 1
1 1137 . 10 1 1 A 96 96 GLU C C 96 173.618 174.254 -0.636 1
1 1138 . 10 1 1 A 97 97 PRO CA C 97 62.763 62.337 0.426 1
1 1139 . 10 1 1 A 97 97 PRO HA H 97 4.362 4.568 -0.206 1
1 1140 . 10 1 1 A 97 97 PRO CB C 97 32.356 32.494 -0.138 1
1 1149 . 10 1 1 A 97 97 PRO C C 97 174.841 176.500 -1.659 1
1 1150 . 10 1 1 A 98 98 ASP N N 98 120.272 121.490 -1.218 1
1 1151 . 10 1 1 A 98 98 ASP H H 98 8.396 8.462 -0.066 1
1 1152 . 10 1 1 A 98 98 ASP CA C 98 54.555 53.752 0.803 1
1 1153 . 10 1 1 A 98 98 ASP HA H 98 4.409 4.830 -0.421 1
1 1154 . 10 1 1 A 98 98 ASP CB C 98 42.248 41.056 1.192 1
1 1157 . 10 1 1 A 98 98 ASP C C 98 176.253 176.826 -0.573 1
1 1158 . 10 1 1 A 99 99 LYS N N 99 126.808 120.998 5.810 1
1 1159 . 10 1 1 A 99 99 LYS H H 99 8.454 8.668 -0.214 1
1 1160 . 10 1 1 A 99 99 LYS CA C 99 60.158 59.072 1.086 1
1 1161 . 10 1 1 A 99 99 LYS HA H 99 3.705 3.986 -0.281 1
1 1162 . 10 1 1 A 99 99 LYS CB C 99 32.832 32.172 0.660 1
1 1174 . 10 1 1 A 99 99 LYS C C 99 177.621 178.448 -0.827 1
1 1175 . 10 1 1 A 100 100 LEU N N 100 118.450 121.687 -3.237 1
1 1176 . 10 1 1 A 100 100 LEU H H 100 8.160 8.162 -0.002 1
1 1177 . 10 1 1 A 100 100 LEU CA C 100 58.094 57.840 0.254 1
1 1178 . 10 1 1 A 100 100 LEU HA H 100 4.020 3.931 0.089 1
1 1179 . 10 1 1 A 100 100 LEU CB C 100 40.800 41.754 -0.954 1
1 1192 . 10 1 1 A 100 100 LEU C C 100 179.776 178.887 0.889 1
1 1193 . 10 1 1 A 101 101 SER N N 101 115.644 113.481 2.163 1
1 1194 . 10 1 1 A 101 101 SER H H 101 8.047 8.100 -0.053 1
1 1195 . 10 1 1 A 101 101 SER CA C 101 61.765 61.512 0.253 1
1 1196 . 10 1 1 A 101 101 SER HA H 101 4.174 4.093 0.081 1
1 1197 . 10 1 1 A 101 101 SER CB C 101 62.609 63.014 -0.405 1
1 1200 . 10 1 1 A 101 101 SER C C 101 176.476 177.195 -0.719 1
1 1201 . 10 1 1 A 102 102 MET N N 102 120.653 119.758 0.895 1
1 1202 . 10 1 1 A 102 102 MET H H 102 8.027 7.785 0.242 1
1 1203 . 10 1 1 A 102 102 MET CA C 102 56.380 58.421 -2.041 1
1 1204 . 10 1 1 A 102 102 MET HA H 102 4.508 4.170 0.338 1
1 1205 . 10 1 1 A 102 102 MET CB C 102 30.731 33.087 -2.356 1
1 1215 . 10 1 1 A 102 102 MET C C 102 178.903 178.509 0.394 1
1 1216 . 10 1 1 A 103 103 VAL N N 103 119.836 119.933 -0.097 1
1 1217 . 10 1 1 A 103 103 VAL H H 103 8.556 8.418 0.138 1
1 1218 . 10 1 1 A 103 103 VAL CA C 103 67.049 66.781 0.268 1
1 1219 . 10 1 1 A 103 103 VAL HA H 103 3.370 3.455 -0.085 1
1 1220 . 10 1 1 A 103 103 VAL CB C 103 31.583 31.407 0.176 1
1 1230 . 10 1 1 A 103 103 VAL C C 103 179.225 177.678 1.547 1
1 1231 . 10 1 1 A 104 104 MET N N 104 120.390 118.950 1.440 1
1 1232 . 10 1 1 A 104 104 MET H H 104 8.112 8.516 -0.404 1
1 1233 . 10 1 1 A 104 104 MET CA C 104 58.991 58.562 0.429 1
1 1234 . 10 1 1 A 104 104 MET HA H 104 4.047 4.296 -0.249 1
1 1235 . 10 1 1 A 104 104 MET CB C 104 31.979 32.281 -0.302 1
1 1245 . 10 1 1 A 104 104 MET C C 104 178.210 178.168 0.042 1
1 1246 . 10 1 1 A 105 105 TYR N N 105 120.956 122.068 -1.112 1
1 1247 . 10 1 1 A 105 105 TYR H H 105 8.185 7.533 0.652 1
1 1248 . 10 1 1 A 105 105 TYR CA C 105 61.449 61.646 -0.197 1
1 1249 . 10 1 1 A 105 105 TYR HA H 105 4.317 4.244 0.073 1
1 1250 . 10 1 1 A 105 105 TYR CB C 105 40.259 38.859 1.400 1
1 1261 . 10 1 1 A 105 105 TYR C C 105 177.805 177.396 0.409 1
1 1262 . 10 1 1 A 106 106 LEU N N 106 116.468 121.170 -4.702 1
1 1263 . 10 1 1 A 106 106 LEU H H 106 9.088 8.737 0.351 1
1 1264 . 10 1 1 A 106 106 LEU CA C 106 57.744 58.306 -0.562 1
1 1265 . 10 1 1 A 106 106 LEU HA H 106 4.139 4.005 0.134 1
1 1266 . 10 1 1 A 106 106 LEU CB C 106 42.285 41.376 0.909 1
1 1279 . 10 1 1 A 106 106 LEU C C 106 180.758 178.899 1.859 1
1 1280 . 10 1 1 A 107 107 SER N N 107 114.570 113.546 1.024 1
1 1281 . 10 1 1 A 107 107 SER H H 107 8.338 8.162 0.176 1
1 1282 . 10 1 1 A 107 107 SER CA C 107 63.030 61.656 1.374 1
1 1283 . 10 1 1 A 107 107 SER HA H 107 4.016 4.094 -0.078 1
1 1284 . 10 1 1 A 107 107 SER CB C 107 62.866 62.945 -0.079 1
1 1287 . 10 1 1 A 107 107 SER C C 107 175.377 177.096 -1.719 1
1 1288 . 10 1 1 A 108 108 LYS N N 108 120.221 120.085 0.136 1
1 1289 . 10 1 1 A 108 108 LYS H H 108 7.522 8.112 -0.590 1
1 1290 . 10 1 1 A 108 108 LYS CA C 108 58.870 59.065 -0.195 1
1 1291 . 10 1 1 A 108 108 LYS HA H 108 3.910 3.809 0.101 1
1 1292 . 10 1 1 A 108 108 LYS CB C 108 31.719 31.955 -0.236 1
1 1304 . 10 1 1 A 108 108 LYS C C 108 179.587 179.200 0.387 1
1 1305 . 10 1 1 A 109 109 PHE N N 109 118.900 119.520 -0.620 1
1 1306 . 10 1 1 A 109 109 PHE H H 109 7.282 7.811 -0.529 1
1 1307 . 10 1 1 A 109 109 PHE CA C 109 61.501 60.696 0.805 1
1 1308 . 10 1 1 A 109 109 PHE HA H 109 3.550 3.982 -0.432 1
1 1309 . 10 1 1 A 109 109 PHE CB C 109 38.201 38.584 -0.383 1
1 1322 . 10 1 1 A 109 109 PHE C C 109 176.181 177.833 -1.652 1
1 1323 . 10 1 1 A 110 110 TYR N N 110 120.089 119.717 0.372 1
1 1324 . 10 1 1 A 110 110 TYR H H 110 7.417 8.316 -0.899 1
1 1325 . 10 1 1 A 110 110 TYR CA C 110 60.263 61.736 -1.473 1
1 1326 . 10 1 1 A 110 110 TYR HA H 110 2.584 3.388 -0.804 1
1 1327 . 10 1 1 A 110 110 TYR CB C 110 38.138 38.534 -0.396 1
1 1338 . 10 1 1 A 110 110 TYR C C 110 176.298 177.396 -1.098 1
1 1339 . 10 1 1 A 111 111 GLU N N 111 115.750 118.228 -2.478 1
1 1340 . 10 1 1 A 111 111 GLU H H 111 7.899 8.250 -0.351 1
1 1341 . 10 1 1 A 111 111 GLU CA C 111 58.712 58.608 0.104 1
1 1342 . 10 1 1 A 111 111 GLU HA H 111 3.528 3.839 -0.311 1
1 1343 . 10 1 1 A 111 111 GLU CB C 111 29.429 29.890 -0.461 1
1 1349 . 10 1 1 A 111 111 GLU C C 111 178.367 178.482 -0.115 1
1 1350 . 10 1 1 A 112 112 LEU N N 112 118.646 121.685 -3.039 1
1 1351 . 10 1 1 A 112 112 LEU H H 112 6.922 7.543 -0.621 1
1 1352 . 10 1 1 A 112 112 LEU CA C 112 57.107 57.983 -0.876 1
1 1353 . 10 1 1 A 112 112 LEU HA H 112 3.775 3.694 0.081 1
1 1354 . 10 1 1 A 112 112 LEU CB C 112 42.499 41.218 1.281 1
1 1367 . 10 1 1 A 112 112 LEU C C 112 178.820 177.907 0.913 1
1 1368 . 10 1 1 A 113 113 PHE N N 113 114.884 115.753 -0.869 1
1 1369 . 10 1 1 A 113 113 PHE H H 113 7.723 7.890 -0.167 1
1 1370 . 10 1 1 A 113 113 PHE CA C 113 57.108 59.902 -2.794 1
1 1371 . 10 1 1 A 113 113 PHE HA H 113 4.495 4.115 0.380 1
1 1372 . 10 1 1 A 113 113 PHE CB C 113 38.324 39.189 -0.865 1
1 1385 . 10 1 1 A 113 113 PHE C C 113 177.445 176.973 0.472 1
1 1386 . 10 1 1 A 114 114 ARG N N 114 119.913 117.696 2.217 1
1 1387 . 10 1 1 A 114 114 ARG H H 114 7.840 7.469 0.371 1
1 1388 . 10 1 1 A 114 114 ARG CA C 114 57.747 55.931 1.816 1
1 1389 . 10 1 1 A 114 114 ARG HA H 114 4.164 4.147 0.017 1
1 1390 . 10 1 1 A 114 114 ARG CB C 114 28.994 29.929 -0.935 1
1 1399 . 10 1 1 A 114 114 ARG C C 114 177.051 176.346 0.705 1
1 1400 . 10 1 1 A 115 115 GLY N N 115 108.376 112.767 -4.391 1
1 1401 . 10 1 1 A 115 115 GLY H H 115 8.070 8.496 -0.426 1
1 1402 . 10 1 1 A 115 115 GLY CA C 115 45.201 44.725 0.476 1
1 1403 . 10 1 1 A 115 115 GLY HA2 H 115 3.873 3.985 -0.112 1
1 1404 . 10 1 1 A 115 115 GLY HA3 H 115 3.988 4.029 -0.041 1
1 1405 . 10 1 1 A 115 115 GLY C C 115 173.987 173.145 0.842 1
1 1406 . 10 1 1 A 116 116 THR N N 116 116.618 117.349 -0.731 1
1 1407 . 10 1 1 A 116 116 THR H H 116 7.858 8.035 -0.177 1
1 1408 . 10 1 1 A 116 116 THR CA C 116 60.032 59.422 0.610 1
1 1409 . 10 1 1 A 116 116 THR HA H 116 4.620 4.601 0.019 1
1 1410 . 10 1 1 A 116 116 THR CB C 116 70.082 69.719 0.363 1
1 1416 . 10 1 1 A 116 116 THR C C 116 172.615 173.054 -0.439 1
1 1417 . 10 1 1 A 117 117 PRO CA C 117 63.086 62.340 0.746 1
1 1418 . 10 1 1 A 117 117 PRO HA H 117 4.451 4.581 -0.130 1
1 1419 . 10 1 1 A 117 117 PRO CB C 117 32.220 32.331 -0.111 1
1 1428 . 10 1 1 A 117 117 PRO C C 117 176.812 176.806 0.006 1
1 1429 . 10 1 1 A 118 118 LEU N N 118 122.695 123.618 -0.923 1
1 1430 . 10 1 1 A 118 118 LEU H H 118 8.424 8.291 0.133 1
1 1431 . 10 1 1 A 118 118 LEU CA C 118 55.266 55.037 0.229 1
1 1432 . 10 1 1 A 118 118 LEU HA H 118 4.276 4.456 -0.180 1
1 1433 . 10 1 1 A 118 118 LEU CB C 118 42.339 42.592 -0.253 1
1 1446 . 10 1 1 A 118 118 LEU C C 118 177.027 175.994 1.033 1
1 1447 . 10 1 1 A 119 119 ARG N N 119 122.979 120.191 2.788 1
1 1448 . 10 1 1 A 119 119 ARG H H 119 8.250 8.661 -0.411 1
1 1449 . 10 1 1 A 119 119 ARG CA C 119 53.688 52.641 1.047 1
1 1450 . 10 1 1 A 119 119 ARG HA H 119 4.644 4.954 -0.310 1
1 1451 . 10 1 1 A 119 119 ARG CB C 119 30.469 33.036 -2.567 1
1 1460 . 10 1 1 A 119 119 ARG C C 119 174.019 174.094 -0.075 1
1 1461 . 10 1 1 A 120 120 PRO CA C 120 63.366 62.321 1.045 1
1 1462 . 10 1 1 A 120 120 PRO HA H 120 4.440 4.714 -0.274 1
1 1463 . 10 1 1 A 120 120 PRO CB C 120 31.958 29.852 2.106 1
1 1472 . 10 1 1 A 120 120 PRO C C 120 176.104 176.433 -0.329 1
1 1 . 11 1 1 A 6 6 SER CA C 6 58.867 57.465 1.402 1
1 2 . 11 1 1 A 6 6 SER HA H 6 4.432 5.291 -0.859 1
1 3 . 11 1 1 A 6 6 SER CB C 6 63.603 65.706 -2.103 1
1 6 . 11 1 1 A 6 6 SER C C 6 175.018 172.905 2.113 1
1 7 . 11 1 1 A 7 7 GLY N N 7 110.530 108.927 1.603 1
1 8 . 11 1 1 A 7 7 GLY H H 7 8.382 8.388 -0.006 1
1 9 . 11 1 1 A 7 7 GLY CA C 7 45.311 45.159 0.152 1
1 10 . 11 1 1 A 7 7 GLY HA2 H 7 3.922 4.163 -0.241 1
1 11 . 11 1 1 A 7 7 GLY HA3 H 7 3.922 4.164 -0.242 1
1 12 . 11 1 1 A 7 7 GLY C C 7 173.740 172.631 1.109 1
1 13 . 11 1 1 A 8 8 ASP N N 8 120.471 122.698 -2.227 1
1 14 . 11 1 1 A 8 8 ASP H H 8 8.121 8.526 -0.405 1
1 15 . 11 1 1 A 8 8 ASP CA C 8 54.214 54.583 -0.369 1
1 16 . 11 1 1 A 8 8 ASP HA H 8 4.560 4.595 -0.035 1
1 17 . 11 1 1 A 8 8 ASP CB C 8 41.172 42.223 -1.051 1
1 20 . 11 1 1 A 8 8 ASP C C 8 176.082 175.877 0.205 1
1 21 . 11 1 1 A 9 9 ILE N N 9 121.785 121.430 0.355 1
1 22 . 11 1 1 A 9 9 ILE H H 9 8.115 8.570 -0.455 1
1 23 . 11 1 1 A 9 9 ILE CA C 9 60.327 60.385 -0.058 1
1 24 . 11 1 1 A 9 9 ILE HA H 9 4.083 4.363 -0.280 1
1 25 . 11 1 1 A 9 9 ILE CB C 9 38.394 38.117 0.277 1
1 38 . 11 1 1 A 9 9 ILE C C 9 175.579 176.076 -0.497 1
1 39 . 11 1 1 A 10 10 ARG N N 10 125.977 125.258 0.719 1
1 40 . 11 1 1 A 10 10 ARG H H 10 8.319 8.905 -0.586 1
1 41 . 11 1 1 A 10 10 ARG CA C 10 54.661 60.564 -5.903 1
1 42 . 11 1 1 A 10 10 ARG HA H 10 4.493 4.222 0.271 1
1 43 . 11 1 1 A 10 10 ARG CB C 10 29.730 30.576 -0.846 1
1 52 . 11 1 1 A 10 10 ARG C C 10 175.511 177.472 -1.961 1
1 53 . 11 1 1 A 11 11 PRO CA C 11 65.595 64.079 1.516 1
1 54 . 11 1 1 A 11 11 PRO HA H 11 4.064 4.392 -0.328 1
1 55 . 11 1 1 A 11 11 PRO CB C 11 31.690 31.683 0.007 1
1 64 . 11 1 1 A 12 12 SER CA C 12 60.656 61.324 -0.668 1
1 65 . 11 1 1 A 12 12 SER HA H 12 4.194 4.299 -0.105 1
1 66 . 11 1 1 A 12 12 SER CB C 12 62.321 63.234 -0.913 1
1 69 . 11 1 1 A 13 13 LYS H H 13 7.510 7.806 -0.296 1
1 70 . 11 1 1 A 13 13 LYS CA C 13 58.585 59.464 -0.879 1
1 71 . 11 1 1 A 13 13 LYS HA H 13 4.186 4.033 0.153 1
1 72 . 11 1 1 A 13 13 LYS CB C 13 32.274 32.573 -0.299 1
1 84 . 11 1 1 A 13 13 LYS C C 13 179.028 179.001 0.027 1
1 85 . 11 1 1 A 14 14 LEU N N 14 121.315 121.143 0.172 1
1 86 . 11 1 1 A 14 14 LEU H H 14 7.968 7.845 0.123 1
1 87 . 11 1 1 A 14 14 LEU CA C 14 57.648 58.094 -0.446 1
1 88 . 11 1 1 A 14 14 LEU HA H 14 3.889 3.592 0.297 1
1 89 . 11 1 1 A 14 14 LEU CB C 14 42.171 41.782 0.389 1
1 102 . 11 1 1 A 14 14 LEU C C 14 178.689 178.358 0.331 1
1 103 . 11 1 1 A 15 15 LEU N N 15 120.526 119.660 0.866 1
1 104 . 11 1 1 A 15 15 LEU H H 15 8.546 8.103 0.443 1
1 105 . 11 1 1 A 15 15 LEU CA C 15 59.227 58.454 0.773 1
1 106 . 11 1 1 A 15 15 LEU HA H 15 4.038 4.084 -0.046 1
1 107 . 11 1 1 A 15 15 LEU CB C 15 40.993 41.722 -0.729 1
1 120 . 11 1 1 A 15 15 LEU C C 15 178.020 178.661 -0.641 1
1 121 . 11 1 1 A 16 16 THR N N 16 114.667 113.863 0.804 1
1 122 . 11 1 1 A 16 16 THR H H 16 7.945 7.807 0.138 1
1 123 . 11 1 1 A 16 16 THR CA C 16 66.778 66.661 0.117 1
1 124 . 11 1 1 A 16 16 THR HA H 16 4.162 4.117 0.045 1
1 125 . 11 1 1 A 16 16 THR CB C 16 68.914 68.495 0.419 1
1 131 . 11 1 1 A 16 16 THR C C 16 176.419 176.691 -0.272 1
1 132 . 11 1 1 A 17 17 TRP N N 17 122.548 121.090 1.458 1
1 133 . 11 1 1 A 17 17 TRP H H 17 8.242 8.001 0.241 1
1 134 . 11 1 1 A 17 17 TRP CA C 17 63.006 61.498 1.508 1
1 135 . 11 1 1 A 17 17 TRP HA H 17 4.442 4.184 0.258 1
1 136 . 11 1 1 A 17 17 TRP CB C 17 28.530 29.768 -1.238 1
1 151 . 11 1 1 A 17 17 TRP C C 17 178.678 178.261 0.417 1
1 152 . 11 1 1 A 18 18 CYS N N 18 117.202 116.684 0.518 1
1 153 . 11 1 1 A 18 18 CYS H H 18 8.993 8.024 0.969 1
1 154 . 11 1 1 A 18 18 CYS CA C 18 64.830 63.475 1.355 1
1 155 . 11 1 1 A 18 18 CYS HA H 18 3.855 3.732 0.123 1
1 156 . 11 1 1 A 18 18 CYS CB C 18 27.945 26.740 1.205 1
1 159 . 11 1 1 A 18 18 CYS C C 18 178.411 176.973 1.438 1
1 160 . 11 1 1 A 19 19 GLN N N 19 120.296 119.542 0.754 1
1 161 . 11 1 1 A 19 19 GLN H H 19 8.696 8.649 0.047 1
1 162 . 11 1 1 A 19 19 GLN CA C 19 59.705 58.621 1.084 1
1 163 . 11 1 1 A 19 19 GLN HA H 19 3.654 4.088 -0.434 1
1 164 . 11 1 1 A 19 19 GLN CB C 19 27.820 28.415 -0.595 1
1 173 . 11 1 1 A 19 19 GLN C C 19 177.957 178.733 -0.776 1
1 174 . 11 1 1 A 20 20 GLN N N 20 119.247 120.177 -0.930 1
1 175 . 11 1 1 A 20 20 GLN H H 20 8.306 7.898 0.408 1
1 176 . 11 1 1 A 20 20 GLN CA C 20 58.838 58.964 -0.126 1
1 177 . 11 1 1 A 20 20 GLN HA H 20 4.016 4.064 -0.048 1
1 178 . 11 1 1 A 20 20 GLN CB C 20 28.000 28.636 -0.636 1
1 187 . 11 1 1 A 20 20 GLN C C 20 179.476 178.948 0.528 1
1 188 . 11 1 1 A 21 21 GLN N N 21 113.337 118.864 -5.527 1
1 189 . 11 1 1 A 21 21 GLN H H 21 7.999 7.795 0.204 1
1 190 . 11 1 1 A 21 21 GLN CA C 21 55.909 59.007 -3.098 1
1 191 . 11 1 1 A 21 21 GLN HA H 21 4.043 3.834 0.209 1
1 192 . 11 1 1 A 21 21 GLN CB C 21 27.676 27.878 -0.202 1
1 201 . 11 1 1 A 21 21 GLN C C 21 177.394 178.810 -1.416 1
1 202 . 11 1 1 A 22 22 THR N N 22 103.485 112.004 -8.519 1
1 203 . 11 1 1 A 22 22 THR H H 22 7.119 8.016 -0.897 1
1 204 . 11 1 1 A 22 22 THR CA C 22 61.272 65.676 -4.404 1
1 205 . 11 1 1 A 22 22 THR HA H 22 4.092 4.129 -0.037 1
1 206 . 11 1 1 A 22 22 THR CB C 22 69.448 68.302 1.146 1
1 212 . 11 1 1 A 22 22 THR C C 22 174.644 174.930 -0.286 1
1 213 . 11 1 1 A 23 23 GLU N N 23 125.366 122.310 3.056 1
1 214 . 11 1 1 A 23 23 GLU H H 23 6.949 7.919 -0.970 1
1 215 . 11 1 1 A 23 23 GLU CA C 23 58.389 58.544 -0.155 1
1 216 . 11 1 1 A 23 23 GLU HA H 23 3.999 3.939 0.060 1
1 217 . 11 1 1 A 23 23 GLU CB C 23 29.683 29.482 0.201 1
1 223 . 11 1 1 A 23 23 GLU C C 23 177.061 177.258 -0.197 1
1 224 . 11 1 1 A 24 24 GLY N N 24 112.717 114.917 -2.200 1
1 225 . 11 1 1 A 24 24 GLY H H 24 8.732 8.888 -0.156 1
1 226 . 11 1 1 A 24 24 GLY CA C 24 45.326 45.028 0.298 1
1 227 . 11 1 1 A 24 24 GLY HA2 H 24 3.988 3.886 0.102 1
1 228 . 11 1 1 A 24 24 GLY HA3 H 24 3.538 3.944 -0.406 1
1 229 . 11 1 1 A 24 24 GLY C C 24 174.531 174.433 0.098 1
1 230 . 11 1 1 A 25 25 TYR N N 25 120.189 119.775 0.414 1
1 231 . 11 1 1 A 25 25 TYR H H 25 7.488 7.639 -0.151 1
1 232 . 11 1 1 A 25 25 TYR CA C 25 59.028 57.978 1.050 1
1 233 . 11 1 1 A 25 25 TYR HA H 25 3.947 4.410 -0.463 1
1 234 . 11 1 1 A 25 25 TYR CB C 25 37.202 38.782 -1.580 1
1 245 . 11 1 1 A 25 25 TYR C C 25 176.354 175.338 1.016 1
1 246 . 11 1 1 A 26 26 GLN N N 26 125.301 119.860 5.441 1
1 247 . 11 1 1 A 26 26 GLN H H 26 8.877 8.515 0.362 1
1 248 . 11 1 1 A 26 26 GLN CA C 26 56.923 54.527 2.396 1
1 249 . 11 1 1 A 26 26 GLN HA H 26 3.866 4.751 -0.885 1
1 250 . 11 1 1 A 26 26 GLN CB C 26 28.808 31.409 -2.601 1
1 259 . 11 1 1 A 26 26 GLN C C 26 175.582 175.738 -0.156 1
1 260 . 11 1 1 A 27 27 HIS N N 27 111.738 115.618 -3.880 1
1 261 . 11 1 1 A 27 27 HIS H H 27 8.581 8.647 -0.066 1
1 262 . 11 1 1 A 27 27 HIS CA C 27 56.937 56.862 0.075 1
1 263 . 11 1 1 A 27 27 HIS HA H 27 4.174 3.996 0.178 1
1 264 . 11 1 1 A 27 27 HIS CB C 27 26.839 26.904 -0.065 1
1 271 . 11 1 1 A 27 27 HIS C C 27 172.979 174.192 -1.213 1
1 272 . 11 1 1 A 28 28 VAL N N 28 118.229 119.094 -0.865 1
1 273 . 11 1 1 A 28 28 VAL H H 28 7.377 7.638 -0.261 1
1 274 . 11 1 1 A 28 28 VAL CA C 28 61.927 61.631 0.296 1
1 275 . 11 1 1 A 28 28 VAL HA H 28 3.922 4.203 -0.281 1
1 276 . 11 1 1 A 28 28 VAL CB C 28 33.373 32.657 0.716 1
1 286 . 11 1 1 A 28 28 VAL C C 28 174.687 174.256 0.431 1
1 287 . 11 1 1 A 29 29 ASN N N 29 125.832 125.472 0.360 1
1 288 . 11 1 1 A 29 29 ASN H H 29 8.604 8.924 -0.320 1
1 289 . 11 1 1 A 29 29 ASN CA C 29 52.651 51.433 1.218 1
1 290 . 11 1 1 A 29 29 ASN HA H 29 4.682 5.548 -0.866 1
1 291 . 11 1 1 A 29 29 ASN CB C 29 39.124 39.879 -0.755 1
1 297 . 11 1 1 A 29 29 ASN C C 29 173.380 173.413 -0.033 1
1 298 . 11 1 1 A 30 30 VAL N N 30 125.146 124.993 0.153 1
1 299 . 11 1 1 A 30 30 VAL H H 30 9.203 8.942 0.261 1
1 300 . 11 1 1 A 30 30 VAL CA C 30 63.838 62.611 1.227 1
1 301 . 11 1 1 A 30 30 VAL HA H 30 3.699 4.112 -0.413 1
1 302 . 11 1 1 A 30 30 VAL CB C 30 31.136 31.410 -0.274 1
1 312 . 11 1 1 A 30 30 VAL C C 30 176.046 176.310 -0.264 1
1 313 . 11 1 1 A 31 31 THR N N 31 118.952 118.172 0.780 1
1 314 . 11 1 1 A 31 31 THR H H 31 8.396 8.636 -0.240 1
1 315 . 11 1 1 A 31 31 THR CA C 31 60.985 62.020 -1.035 1
1 316 . 11 1 1 A 31 31 THR HA H 31 4.316 4.621 -0.305 1
1 317 . 11 1 1 A 31 31 THR CB C 31 70.087 70.292 -0.205 1
1 323 . 11 1 1 A 31 31 THR C C 31 173.296 174.658 -1.362 1
1 324 . 11 1 1 A 32 32 ASP N N 32 120.757 120.638 0.119 1
1 325 . 11 1 1 A 32 32 ASP H H 32 8.078 7.471 0.607 1
1 326 . 11 1 1 A 32 32 ASP CA C 32 53.069 52.901 0.168 1
1 327 . 11 1 1 A 32 32 ASP HA H 32 4.536 5.119 -0.583 1
1 328 . 11 1 1 A 32 32 ASP CB C 32 41.527 44.051 -2.524 1
1 331 . 11 1 1 A 32 32 ASP C C 32 174.931 175.598 -0.667 1
1 332 . 11 1 1 A 33 33 LEU N N 33 117.024 120.639 -3.615 1
1 333 . 11 1 1 A 33 33 LEU H H 33 8.733 8.590 0.143 1
1 334 . 11 1 1 A 33 33 LEU CA C 33 54.453 54.481 -0.028 1
1 335 . 11 1 1 A 33 33 LEU HA H 33 4.834 5.030 -0.196 1
1 336 . 11 1 1 A 33 33 LEU CB C 33 41.867 41.723 0.144 1
1 349 . 11 1 1 A 33 33 LEU C C 33 174.039 177.221 -3.182 1
1 350 . 11 1 1 A 34 34 THR N N 34 103.873 111.386 -7.513 1
1 351 . 11 1 1 A 34 34 THR H H 34 7.900 7.937 -0.037 1
1 352 . 11 1 1 A 34 34 THR CA C 34 60.434 62.289 -1.855 1
1 353 . 11 1 1 A 34 34 THR HA H 34 4.519 4.708 -0.189 1
1 354 . 11 1 1 A 34 34 THR CB C 34 70.237 70.493 -0.256 1
1 360 . 11 1 1 A 34 34 THR C C 34 175.954 175.950 0.004 1
1 361 . 11 1 1 A 35 35 THR N N 35 118.103 114.157 3.946 1
1 362 . 11 1 1 A 35 35 THR H H 35 9.363 8.084 1.279 1
1 363 . 11 1 1 A 35 35 THR CA C 35 66.422 63.476 2.946 1
1 364 . 11 1 1 A 35 35 THR HA H 35 3.981 4.432 -0.451 1
1 365 . 11 1 1 A 35 35 THR CB C 35 68.720 69.488 -0.768 1
1 371 . 11 1 1 A 35 35 THR C C 35 177.778 176.583 1.195 1
1 372 . 11 1 1 A 36 36 SER N N 36 120.417 116.392 4.025 1
1 373 . 11 1 1 A 36 36 SER H H 36 10.544 8.346 2.198 1
1 374 . 11 1 1 A 36 36 SER CA C 36 61.076 62.183 -1.107 1
1 375 . 11 1 1 A 36 36 SER HA H 36 4.395 4.144 0.251 1
1 376 . 11 1 1 A 36 36 SER CB C 36 63.485 63.075 0.410 1
1 379 . 11 1 1 A 36 36 SER C C 36 173.956 175.463 -1.507 1
1 380 . 11 1 1 A 37 37 TRP N N 37 121.387 118.549 2.838 1
1 381 . 11 1 1 A 37 37 TRP H H 37 8.126 8.039 0.087 1
1 382 . 11 1 1 A 37 37 TRP CA C 37 57.689 56.431 1.258 1
1 383 . 11 1 1 A 37 37 TRP HA H 37 4.340 5.008 -0.668 1
1 384 . 11 1 1 A 37 37 TRP CB C 37 28.915 29.133 -0.218 1
1 399 . 11 1 1 A 37 37 TRP C C 37 176.751 176.849 -0.098 1
1 400 . 11 1 1 A 38 38 ARG N N 38 121.787 119.507 2.280 1
1 401 . 11 1 1 A 38 38 ARG H H 38 7.473 8.171 -0.698 1
1 402 . 11 1 1 A 38 38 ARG CA C 38 60.250 58.815 1.435 1
1 403 . 11 1 1 A 38 38 ARG HA H 38 4.065 4.218 -0.153 1
1 404 . 11 1 1 A 38 38 ARG CB C 38 30.807 30.161 0.646 1
1 415 . 11 1 1 A 38 38 ARG C C 38 177.636 178.402 -0.766 1
1 416 . 11 1 1 A 39 39 SER N N 39 110.340 114.400 -4.060 1
1 417 . 11 1 1 A 39 39 SER H H 39 8.665 7.719 0.946 1
1 418 . 11 1 1 A 39 39 SER CA C 39 59.336 59.118 0.218 1
1 419 . 11 1 1 A 39 39 SER HA H 39 4.349 4.500 -0.151 1
1 420 . 11 1 1 A 39 39 SER CB C 39 64.907 64.197 0.710 1
1 423 . 11 1 1 A 39 39 SER C C 39 174.768 174.595 0.173 1
1 424 . 11 1 1 A 40 40 GLY N N 40 109.467 108.869 0.598 1
1 425 . 11 1 1 A 40 40 GLY H H 40 7.549 7.845 -0.296 1
1 426 . 11 1 1 A 40 40 GLY CA C 40 46.347 45.348 0.999 1
1 427 . 11 1 1 A 40 40 GLY HA2 H 40 3.875 3.878 -0.003 1
1 428 . 11 1 1 A 40 40 GLY HA3 H 40 3.915 3.937 -0.022 1
1 429 . 11 1 1 A 40 40 GLY C C 40 173.725 175.969 -2.244 1
1 430 . 11 1 1 A 41 41 LEU N N 41 117.562 121.831 -4.269 1
1 431 . 11 1 1 A 41 41 LEU H H 41 7.287 8.178 -0.891 1
1 432 . 11 1 1 A 41 41 LEU CA C 41 57.482 57.964 -0.482 1
1 433 . 11 1 1 A 41 41 LEU HA H 41 3.882 3.929 -0.047 1
1 434 . 11 1 1 A 41 41 LEU CB C 41 42.615 41.618 0.997 1
1 447 . 11 1 1 A 41 41 LEU C C 41 178.159 178.762 -0.603 1
1 448 . 11 1 1 A 42 42 ALA N N 42 121.758 120.727 1.031 1
1 449 . 11 1 1 A 42 42 ALA H H 42 8.506 8.181 0.325 1
1 450 . 11 1 1 A 42 42 ALA CA C 42 55.694 54.979 0.715 1
1 451 . 11 1 1 A 42 42 ALA HA H 42 3.582 3.718 -0.136 1
1 452 . 11 1 1 A 42 42 ALA CB C 42 17.039 17.688 -0.649 1
1 456 . 11 1 1 A 42 42 ALA C C 42 178.076 179.227 -1.151 1
1 457 . 11 1 1 A 43 43 LEU N N 43 118.332 118.963 -0.631 1
1 458 . 11 1 1 A 43 43 LEU H H 43 8.933 7.586 1.347 1
1 459 . 11 1 1 A 43 43 LEU CA C 43 57.425 57.907 -0.482 1
1 460 . 11 1 1 A 43 43 LEU HA H 43 4.308 4.201 0.107 1
1 461 . 11 1 1 A 43 43 LEU CB C 43 42.068 42.029 0.039 1
1 474 . 11 1 1 A 43 43 LEU C C 43 179.198 178.431 0.767 1
1 475 . 11 1 1 A 44 44 CYS N N 44 115.098 116.869 -1.771 1
1 476 . 11 1 1 A 44 44 CYS H H 44 7.607 8.417 -0.810 1
1 477 . 11 1 1 A 44 44 CYS CA C 44 65.664 62.424 3.240 1
1 478 . 11 1 1 A 44 44 CYS HA H 44 4.035 4.085 -0.050 1
1 479 . 11 1 1 A 44 44 CYS CB C 44 27.516 26.753 0.763 1
1 482 . 11 1 1 A 44 44 CYS C C 44 176.222 177.139 -0.917 1
1 483 . 11 1 1 A 45 45 ALA N N 45 121.778 121.767 0.011 1
1 484 . 11 1 1 A 45 45 ALA H H 45 8.435 8.083 0.352 1
1 485 . 11 1 1 A 45 45 ALA CA C 45 55.306 54.917 0.389 1
1 486 . 11 1 1 A 45 45 ALA HA H 45 3.184 3.770 -0.586 1
1 487 . 11 1 1 A 45 45 ALA CB C 45 17.395 17.585 -0.190 1
1 491 . 11 1 1 A 45 45 ALA C C 45 177.510 180.101 -2.591 1
1 492 . 11 1 1 A 46 46 ILE N N 46 116.463 118.669 -2.206 1
1 493 . 11 1 1 A 46 46 ILE H H 46 7.527 8.100 -0.573 1
1 494 . 11 1 1 A 46 46 ILE CA C 46 65.137 64.897 0.240 1
1 495 . 11 1 1 A 46 46 ILE HA H 46 3.267 3.559 -0.292 1
1 496 . 11 1 1 A 46 46 ILE CB C 46 37.084 37.949 -0.865 1
1 509 . 11 1 1 A 46 46 ILE C C 46 176.744 178.395 -1.651 1
1 510 . 11 1 1 A 47 47 ILE N N 47 115.676 119.999 -4.323 1
1 511 . 11 1 1 A 47 47 ILE H H 47 7.786 7.827 -0.041 1
1 512 . 11 1 1 A 47 47 ILE CA C 47 66.948 65.233 1.715 1
1 513 . 11 1 1 A 47 47 ILE HA H 47 3.754 3.770 -0.016 1
1 514 . 11 1 1 A 47 47 ILE CB C 47 38.335 38.097 0.238 1
1 527 . 11 1 1 A 47 47 ILE C C 47 176.853 178.207 -1.354 1
1 528 . 11 1 1 A 48 48 HIS N N 48 120.066 119.461 0.605 1
1 529 . 11 1 1 A 48 48 HIS H H 48 8.569 8.787 -0.218 1
1 530 . 11 1 1 A 48 48 HIS CA C 48 60.767 60.291 0.476 1
1 531 . 11 1 1 A 48 48 HIS HA H 48 3.918 4.119 -0.201 1
1 532 . 11 1 1 A 48 48 HIS CB C 48 31.245 30.299 0.946 1
1 539 . 11 1 1 A 48 48 HIS C C 48 175.841 177.139 -1.298 1
1 540 . 11 1 1 A 49 49 ARG N N 49 118.781 119.085 -0.304 1
1 541 . 11 1 1 A 49 49 ARG H H 49 8.572 8.281 0.291 1
1 542 . 11 1 1 A 49 49 ARG CA C 49 58.152 59.380 -1.228 1
1 543 . 11 1 1 A 49 49 ARG HA H 49 3.680 3.681 -0.001 1
1 544 . 11 1 1 A 49 49 ARG CB C 49 28.454 30.024 -1.570 1
1 555 . 11 1 1 A 49 49 ARG C C 49 177.830 179.229 -1.399 1
1 556 . 11 1 1 A 50 50 PHE N N 50 113.909 118.407 -4.498 1
1 557 . 11 1 1 A 50 50 PHE H H 50 6.900 8.088 -1.188 1
1 558 . 11 1 1 A 50 50 PHE CA C 50 59.885 60.349 -0.464 1
1 559 . 11 1 1 A 50 50 PHE HA H 50 4.281 4.377 -0.096 1
1 560 . 11 1 1 A 50 50 PHE CB C 50 41.527 38.635 2.892 1
1 573 . 11 1 1 A 50 50 PHE C C 50 176.867 176.065 0.802 1
1 574 . 11 1 1 A 51 51 ARG N N 51 120.652 119.346 1.306 1
1 575 . 11 1 1 A 51 51 ARG H H 51 9.059 8.664 0.395 1
1 576 . 11 1 1 A 51 51 ARG CA C 51 51.499 53.930 -2.431 1
1 577 . 11 1 1 A 51 51 ARG HA H 51 4.942 4.889 0.053 1
1 578 . 11 1 1 A 51 51 ARG CB C 51 30.307 30.884 -0.577 1
1 589 . 11 1 1 A 51 51 ARG C C 51 172.670 174.709 -2.039 1
1 590 . 11 1 1 A 52 52 PRO CA C 52 64.948 64.709 0.239 1
1 591 . 11 1 1 A 52 52 PRO HA H 52 4.343 4.637 -0.294 1
1 592 . 11 1 1 A 52 52 PRO CB C 52 31.091 32.146 -1.055 1
1 601 . 11 1 1 A 52 52 PRO C C 52 177.406 177.805 -0.399 1
1 602 . 11 1 1 A 53 53 GLU N N 53 118.219 118.277 -0.058 1
1 603 . 11 1 1 A 53 53 GLU H H 53 9.784 8.335 1.449 1
1 604 . 11 1 1 A 53 53 GLU CA C 53 57.285 59.501 -2.216 1
1 605 . 11 1 1 A 53 53 GLU HA H 53 4.322 4.166 0.156 1
1 606 . 11 1 1 A 53 53 GLU CB C 53 27.771 29.319 -1.548 1
1 612 . 11 1 1 A 53 53 GLU C C 53 177.957 178.849 -0.892 1
1 613 . 11 1 1 A 54 54 LEU N N 54 119.316 118.352 0.964 1
1 614 . 11 1 1 A 54 54 LEU H H 54 8.212 7.597 0.615 1
1 615 . 11 1 1 A 54 54 LEU CA C 54 55.943 56.875 -0.932 1
1 616 . 11 1 1 A 54 54 LEU HA H 54 4.337 4.266 0.071 1
1 617 . 11 1 1 A 54 54 LEU CB C 54 43.122 43.023 0.099 1
1 630 . 11 1 1 A 54 54 LEU C C 54 177.159 176.921 0.238 1
1 631 . 11 1 1 A 55 55 ILE N N 55 115.493 118.372 -2.879 1
1 632 . 11 1 1 A 55 55 ILE H H 55 6.990 7.472 -0.482 1
1 633 . 11 1 1 A 55 55 ILE CA C 55 59.645 60.058 -0.413 1
1 634 . 11 1 1 A 55 55 ILE HA H 55 4.230 4.637 -0.407 1
1 635 . 11 1 1 A 55 55 ILE CB C 55 43.159 41.030 2.129 1
1 648 . 11 1 1 A 55 55 ILE C C 55 173.302 174.347 -1.045 1
1 649 . 11 1 1 A 56 56 ASN N N 56 124.568 125.940 -1.372 1
1 650 . 11 1 1 A 56 56 ASN H H 56 8.984 8.750 0.234 1
1 651 . 11 1 1 A 56 56 ASN CA C 56 51.198 51.748 -0.550 1
1 652 . 11 1 1 A 56 56 ASN HA H 56 5.100 5.250 -0.150 1
1 653 . 11 1 1 A 56 56 ASN CB C 56 36.452 38.813 -2.361 1
1 659 . 11 1 1 A 56 56 ASN C C 56 175.902 175.323 0.579 1
1 660 . 11 1 1 A 57 57 PHE N N 57 126.548 122.743 3.805 1
1 661 . 11 1 1 A 57 57 PHE H H 57 7.219 8.343 -1.124 1
1 662 . 11 1 1 A 57 57 PHE CA C 57 62.399 61.908 0.491 1
1 663 . 11 1 1 A 57 57 PHE HA H 57 3.514 3.865 -0.351 1
1 664 . 11 1 1 A 57 57 PHE CB C 57 39.553 39.486 0.067 1
1 677 . 11 1 1 A 57 57 PHE C C 57 176.597 176.569 0.028 1
1 678 . 11 1 1 A 58 58 ASP N N 58 116.755 118.278 -1.523 1
1 679 . 11 1 1 A 58 58 ASP H H 58 8.691 8.263 0.428 1
1 680 . 11 1 1 A 58 58 ASP CA C 58 56.635 57.393 -0.758 1
1 681 . 11 1 1 A 58 58 ASP HA H 58 4.324 4.323 0.001 1
1 682 . 11 1 1 A 58 58 ASP CB C 58 40.262 40.252 0.010 1
1 685 . 11 1 1 A 58 58 ASP C C 58 176.562 178.486 -1.924 1
1 686 . 11 1 1 A 59 59 SER N N 59 112.320 114.529 -2.209 1
1 687 . 11 1 1 A 59 59 SER H H 59 7.412 8.349 -0.937 1
1 688 . 11 1 1 A 59 59 SER CA C 59 58.740 61.166 -2.426 1
1 689 . 11 1 1 A 59 59 SER HA H 59 4.365 4.227 0.138 1
1 690 . 11 1 1 A 59 59 SER CB C 59 64.598 62.809 1.789 1
1 693 . 11 1 1 A 59 59 SER C C 59 174.309 174.738 -0.429 1
1 694 . 11 1 1 A 60 60 LEU N N 60 121.693 121.352 0.341 1
1 695 . 11 1 1 A 60 60 LEU H H 60 7.176 6.933 0.243 1
1 696 . 11 1 1 A 60 60 LEU CA C 60 54.593 55.444 -0.851 1
1 697 . 11 1 1 A 60 60 LEU HA H 60 4.196 4.247 -0.051 1
1 698 . 11 1 1 A 60 60 LEU CB C 60 40.943 41.566 -0.623 1
1 711 . 11 1 1 A 60 60 LEU C C 60 176.774 175.854 0.920 1
1 712 . 11 1 1 A 61 61 ASN N N 61 121.648 124.274 -2.626 1
1 713 . 11 1 1 A 61 61 ASN H H 61 9.391 8.401 0.990 1
1 714 . 11 1 1 A 61 61 ASN CA C 61 51.763 52.674 -0.911 1
1 715 . 11 1 1 A 61 61 ASN HA H 61 4.721 4.912 -0.191 1
1 716 . 11 1 1 A 61 61 ASN CB C 61 40.025 40.483 -0.458 1
1 722 . 11 1 1 A 61 61 ASN C C 61 176.599 176.120 0.479 1
1 723 . 11 1 1 A 62 62 GLU N N 62 126.707 124.864 1.843 1
1 724 . 11 1 1 A 62 62 GLU H H 62 9.255 8.706 0.549 1
1 725 . 11 1 1 A 62 62 GLU CA C 62 58.926 60.035 -1.109 1
1 726 . 11 1 1 A 62 62 GLU HA H 62 3.688 3.912 -0.224 1
1 727 . 11 1 1 A 62 62 GLU CB C 62 29.479 29.505 -0.026 1
1 733 . 11 1 1 A 62 62 GLU C C 62 176.196 177.643 -1.447 1
1 734 . 11 1 1 A 63 63 ASP N N 63 116.763 119.826 -3.063 1
1 735 . 11 1 1 A 63 63 ASP H H 63 8.317 8.171 0.146 1
1 736 . 11 1 1 A 63 63 ASP CA C 63 55.499 56.469 -0.970 1
1 737 . 11 1 1 A 63 63 ASP HA H 63 4.509 4.384 0.125 1
1 738 . 11 1 1 A 63 63 ASP CB C 63 40.697 40.301 0.396 1
1 741 . 11 1 1 A 63 63 ASP C C 63 177.195 177.404 -0.209 1
1 742 . 11 1 1 A 64 64 ASP N N 64 123.036 117.898 5.138 1
1 743 . 11 1 1 A 64 64 ASP H H 64 7.422 8.306 -0.884 1
1 744 . 11 1 1 A 64 64 ASP CA C 64 52.760 53.607 -0.847 1
1 745 . 11 1 1 A 64 64 ASP HA H 64 4.949 4.832 0.117 1
1 746 . 11 1 1 A 64 64 ASP CB C 64 38.920 39.597 -0.677 1
1 749 . 11 1 1 A 64 64 ASP C C 64 174.979 176.172 -1.193 1
1 750 . 11 1 1 A 65 65 ALA N N 65 123.411 122.617 0.794 1
1 751 . 11 1 1 A 65 65 ALA H H 65 7.527 8.141 -0.614 1
1 752 . 11 1 1 A 65 65 ALA CA C 65 55.750 55.088 0.662 1
1 753 . 11 1 1 A 65 65 ALA HA H 65 4.295 3.968 0.327 1
1 754 . 11 1 1 A 65 65 ALA CB C 65 19.889 18.605 1.284 1
1 758 . 11 1 1 A 65 65 ALA C C 65 181.114 179.602 1.512 1
1 759 . 11 1 1 A 66 66 VAL N N 66 119.151 118.166 0.985 1
1 760 . 11 1 1 A 66 66 VAL H H 66 8.305 8.270 0.035 1
1 761 . 11 1 1 A 66 66 VAL CA C 66 67.423 66.990 0.433 1
1 762 . 11 1 1 A 66 66 VAL HA H 66 3.292 3.535 -0.243 1
1 763 . 11 1 1 A 66 66 VAL CB C 66 31.418 31.529 -0.111 1
1 773 . 11 1 1 A 66 66 VAL C C 66 177.471 177.916 -0.445 1
1 774 . 11 1 1 A 67 67 GLU N N 67 117.895 118.975 -1.080 1
1 775 . 11 1 1 A 67 67 GLU H H 67 8.256 8.232 0.024 1
1 776 . 11 1 1 A 67 67 GLU CA C 67 59.831 59.757 0.074 1
1 777 . 11 1 1 A 67 67 GLU HA H 67 3.901 3.960 -0.059 1
1 778 . 11 1 1 A 67 67 GLU CB C 67 28.963 29.486 -0.523 1
1 784 . 11 1 1 A 67 67 GLU C C 67 179.796 179.092 0.704 1
1 785 . 11 1 1 A 68 68 ASN N N 68 119.611 118.527 1.084 1
1 786 . 11 1 1 A 68 68 ASN H H 68 9.019 8.276 0.743 1
1 787 . 11 1 1 A 68 68 ASN CA C 68 55.797 56.226 -0.429 1
1 788 . 11 1 1 A 68 68 ASN HA H 68 4.325 4.359 -0.034 1
1 789 . 11 1 1 A 68 68 ASN CB C 68 37.140 38.359 -1.219 1
1 795 . 11 1 1 A 68 68 ASN C C 68 177.193 177.969 -0.776 1
1 796 . 11 1 1 A 69 69 ASN N N 69 115.555 117.918 -2.363 1
1 797 . 11 1 1 A 69 69 ASN H H 69 7.589 8.527 -0.938 1
1 798 . 11 1 1 A 69 69 ASN CA C 69 57.155 56.335 0.820 1
1 799 . 11 1 1 A 69 69 ASN HA H 69 3.880 4.051 -0.171 1
1 800 . 11 1 1 A 69 69 ASN CB C 69 40.785 38.016 2.769 1
1 806 . 11 1 1 A 69 69 ASN C C 69 175.062 177.515 -2.453 1
1 807 . 11 1 1 A 70 70 GLN N N 70 115.794 119.947 -4.153 1
1 808 . 11 1 1 A 70 70 GLN H H 70 8.058 7.889 0.169 1
1 809 . 11 1 1 A 70 70 GLN CA C 70 58.400 58.976 -0.576 1
1 810 . 11 1 1 A 70 70 GLN HA H 70 3.591 4.302 -0.711 1
1 811 . 11 1 1 A 70 70 GLN CB C 70 29.420 28.480 0.940 1
1 820 . 11 1 1 A 70 70 GLN C C 70 176.954 177.951 -0.997 1
1 821 . 11 1 1 A 71 71 LEU N N 71 118.631 121.078 -2.447 1
1 822 . 11 1 1 A 71 71 LEU H H 71 8.090 7.940 0.150 1
1 823 . 11 1 1 A 71 71 LEU CA C 71 58.121 58.450 -0.329 1
1 824 . 11 1 1 A 71 71 LEU HA H 71 4.291 3.989 0.302 1
1 825 . 11 1 1 A 71 71 LEU CB C 71 42.100 41.955 0.145 1
1 838 . 11 1 1 A 71 71 LEU C C 71 177.664 178.273 -0.609 1
1 839 . 11 1 1 A 72 72 ALA N N 72 119.977 120.061 -0.084 1
1 840 . 11 1 1 A 72 72 ALA H H 72 7.274 8.102 -0.828 1
1 841 . 11 1 1 A 72 72 ALA CA C 72 55.807 54.959 0.848 1
1 842 . 11 1 1 A 72 72 ALA HA H 72 3.873 4.084 -0.211 1
1 843 . 11 1 1 A 72 72 ALA CB C 72 18.412 18.243 0.169 1
1 847 . 11 1 1 A 72 72 ALA C C 72 179.676 179.731 -0.055 1
1 848 . 11 1 1 A 73 73 PHE N N 73 115.018 116.109 -1.091 1
1 849 . 11 1 1 A 73 73 PHE H H 73 8.722 7.669 1.053 1
1 850 . 11 1 1 A 73 73 PHE CA C 73 56.889 61.916 -5.027 1
1 851 . 11 1 1 A 73 73 PHE HA H 73 4.848 4.474 0.374 1
1 852 . 11 1 1 A 73 73 PHE CB C 73 37.404 38.765 -1.361 1
1 865 . 11 1 1 A 73 73 PHE C C 73 180.123 178.449 1.674 1
1 866 . 11 1 1 A 74 74 ASP N N 74 122.136 118.525 3.611 1
1 867 . 11 1 1 A 74 74 ASP H H 74 9.262 8.857 0.405 1
1 868 . 11 1 1 A 74 74 ASP CA C 74 57.648 57.259 0.389 1
1 869 . 11 1 1 A 74 74 ASP HA H 74 4.550 4.273 0.277 1
1 870 . 11 1 1 A 74 74 ASP CB C 74 40.073 40.506 -0.433 1
1 873 . 11 1 1 A 74 74 ASP C C 74 179.818 178.957 0.861 1
1 874 . 11 1 1 A 75 75 VAL N N 75 122.521 120.226 2.295 1
1 875 . 11 1 1 A 75 75 VAL H H 75 9.080 8.404 0.676 1
1 876 . 11 1 1 A 75 75 VAL CA C 75 66.894 66.332 0.562 1
1 877 . 11 1 1 A 75 75 VAL HA H 75 3.611 3.533 0.078 1
1 878 . 11 1 1 A 75 75 VAL CB C 75 31.943 31.539 0.404 1
1 888 . 11 1 1 A 75 75 VAL C C 75 177.813 178.193 -0.380 1
1 889 . 11 1 1 A 76 76 ALA N N 76 121.109 121.366 -0.257 1
1 890 . 11 1 1 A 76 76 ALA H H 76 8.813 8.091 0.722 1
1 891 . 11 1 1 A 76 76 ALA CA C 76 55.181 55.227 -0.046 1
1 892 . 11 1 1 A 76 76 ALA HA H 76 4.092 4.183 -0.091 1
1 893 . 11 1 1 A 76 76 ALA CB C 76 19.324 18.791 0.533 1
1 897 . 11 1 1 A 76 76 ALA C C 76 180.373 180.069 0.304 1
1 898 . 11 1 1 A 77 77 GLU N N 77 120.309 118.534 1.775 1
1 899 . 11 1 1 A 77 77 GLU H H 77 8.257 7.857 0.400 1
1 900 . 11 1 1 A 77 77 GLU CA C 77 59.818 58.647 1.171 1
1 901 . 11 1 1 A 77 77 GLU HA H 77 3.982 4.206 -0.224 1
1 902 . 11 1 1 A 77 77 GLU CB C 77 30.530 29.844 0.686 1
1 908 . 11 1 1 A 77 77 GLU C C 77 178.591 178.303 0.288 1
1 909 . 11 1 1 A 78 78 ARG N N 78 119.060 119.610 -0.550 1
1 910 . 11 1 1 A 78 78 ARG H H 78 8.325 7.927 0.398 1
1 911 . 11 1 1 A 78 78 ARG CA C 78 59.232 58.205 1.027 1
1 912 . 11 1 1 A 78 78 ARG HA H 78 4.048 4.203 -0.155 1
1 913 . 11 1 1 A 78 78 ARG CB C 78 31.462 30.541 0.921 1
1 924 . 11 1 1 A 78 78 ARG C C 78 178.327 177.588 0.739 1
1 925 . 11 1 1 A 79 79 GLU N N 79 114.012 117.830 -3.818 1
1 926 . 11 1 1 A 79 79 GLU H H 79 8.878 8.368 0.510 1
1 927 . 11 1 1 A 79 79 GLU CA C 79 56.599 57.996 -1.397 1
1 928 . 11 1 1 A 79 79 GLU HA H 79 4.329 4.340 -0.011 1
1 929 . 11 1 1 A 79 79 GLU CB C 79 28.771 30.538 -1.767 1
1 935 . 11 1 1 A 79 79 GLU C C 79 178.301 178.066 0.235 1
1 936 . 11 1 1 A 80 80 PHE N N 80 113.394 117.129 -3.735 1
1 937 . 11 1 1 A 80 80 PHE H H 80 6.906 7.279 -0.373 1
1 938 . 11 1 1 A 80 80 PHE CA C 80 53.518 58.059 -4.541 1
1 939 . 11 1 1 A 80 80 PHE HA H 80 5.246 4.528 0.718 1
1 940 . 11 1 1 A 80 80 PHE CB C 80 39.910 39.214 0.696 1
1 953 . 11 1 1 A 80 80 PHE C C 80 176.487 176.146 0.341 1
1 954 . 11 1 1 A 81 81 GLY N N 81 108.698 108.945 -0.247 1
1 955 . 11 1 1 A 81 81 GLY H H 81 7.352 8.214 -0.862 1
1 956 . 11 1 1 A 81 81 GLY CA C 81 46.520 46.745 -0.225 1
1 957 . 11 1 1 A 81 81 GLY HA2 H 81 3.975 3.980 -0.005 1
1 958 . 11 1 1 A 81 81 GLY HA3 H 81 3.975 3.985 -0.010 1
1 959 . 11 1 1 A 81 81 GLY C C 81 174.711 174.618 0.093 1
1 960 . 11 1 1 A 82 82 ILE N N 82 122.486 122.229 0.257 1
1 961 . 11 1 1 A 82 82 ILE H H 82 7.507 8.263 -0.756 1
1 962 . 11 1 1 A 82 82 ILE CA C 82 58.810 57.919 0.891 1
1 963 . 11 1 1 A 82 82 ILE HA H 82 4.285 4.380 -0.095 1
1 964 . 11 1 1 A 82 82 ILE CB C 82 39.376 39.086 0.290 1
1 977 . 11 1 1 A 82 82 ILE C C 82 172.836 174.787 -1.951 1
1 978 . 11 1 1 A 83 83 PRO CA C 83 60.989 61.941 -0.952 1
1 979 . 11 1 1 A 83 83 PRO HA H 83 4.589 4.707 -0.118 1
1 980 . 11 1 1 A 83 83 PRO CB C 83 31.107 32.393 -1.286 1
1 989 . 11 1 1 A 84 84 PRO CA C 84 62.860 62.607 0.253 1
1 990 . 11 1 1 A 84 84 PRO HA H 84 4.405 4.641 -0.236 1
1 991 . 11 1 1 A 84 84 PRO CB C 84 32.638 32.417 0.221 1
1 1000 . 11 1 1 A 84 84 PRO C C 84 177.894 176.294 1.600 1
1 1001 . 11 1 1 A 85 85 VAL N N 85 114.062 115.545 -1.483 1
1 1002 . 11 1 1 A 85 85 VAL H H 85 6.621 7.792 -1.171 1
1 1003 . 11 1 1 A 85 85 VAL CA C 85 61.000 62.385 -1.385 1
1 1004 . 11 1 1 A 85 85 VAL HA H 85 4.080 4.152 -0.072 1
1 1005 . 11 1 1 A 85 85 VAL CB C 85 32.725 32.760 -0.035 1
1 1015 . 11 1 1 A 85 85 VAL C C 85 174.315 175.680 -1.365 1
1 1016 . 11 1 1 A 86 86 THR N N 86 114.774 114.548 0.226 1
1 1017 . 11 1 1 A 86 86 THR H H 86 6.827 7.412 -0.585 1
1 1018 . 11 1 1 A 86 86 THR CA C 86 59.336 59.470 -0.134 1
1 1019 . 11 1 1 A 86 86 THR HA H 86 4.442 4.685 -0.243 1
1 1020 . 11 1 1 A 86 86 THR CB C 86 68.016 71.855 -3.839 1
1 1026 . 11 1 1 A 86 86 THR C C 86 172.724 172.613 0.111 1
1 1027 . 11 1 1 A 87 87 THR N N 87 109.655 115.688 -6.033 1
1 1028 . 11 1 1 A 87 87 THR H H 87 8.313 8.593 -0.280 1
1 1029 . 11 1 1 A 87 87 THR CA C 87 59.870 60.212 -0.342 1
1 1030 . 11 1 1 A 87 87 THR HA H 87 5.000 4.706 0.294 1
1 1031 . 11 1 1 A 87 87 THR CB C 87 72.527 70.444 2.083 1
1 1037 . 11 1 1 A 87 87 THR C C 87 176.440 175.718 0.722 1
1 1038 . 11 1 1 A 88 88 GLY N N 88 110.531 110.808 -0.277 1
1 1039 . 11 1 1 A 88 88 GLY H H 88 9.655 9.009 0.646 1
1 1040 . 11 1 1 A 88 88 GLY CA C 88 49.124 47.654 1.470 1
1 1041 . 11 1 1 A 88 88 GLY HA2 H 88 4.115 3.981 0.134 1
1 1042 . 11 1 1 A 88 88 GLY HA3 H 88 3.755 4.083 -0.328 1
1 1043 . 11 1 1 A 88 88 GLY C C 88 175.154 175.779 -0.625 1
1 1044 . 11 1 1 A 89 89 LYS N N 89 119.606 121.666 -2.060 1
1 1045 . 11 1 1 A 89 89 LYS H H 89 8.542 8.070 0.472 1
1 1046 . 11 1 1 A 89 89 LYS CA C 89 59.687 59.627 0.060 1
1 1047 . 11 1 1 A 89 89 LYS HA H 89 4.030 3.995 0.035 1
1 1048 . 11 1 1 A 89 89 LYS CB C 89 32.733 32.333 0.400 1
1 1060 . 11 1 1 A 89 89 LYS C C 89 178.921 179.445 -0.524 1
1 1061 . 11 1 1 A 90 90 GLU N N 90 118.992 119.617 -0.625 1
1 1062 . 11 1 1 A 90 90 GLU H H 90 7.610 7.850 -0.240 1
1 1063 . 11 1 1 A 90 90 GLU CA C 90 59.238 59.530 -0.292 1
1 1064 . 11 1 1 A 90 90 GLU HA H 90 4.008 4.041 -0.033 1
1 1065 . 11 1 1 A 90 90 GLU CB C 90 29.946 29.354 0.592 1
1 1071 . 11 1 1 A 90 90 GLU C C 90 179.366 178.824 0.542 1
1 1072 . 11 1 1 A 91 91 MET N N 91 120.109 119.834 0.275 1
1 1073 . 11 1 1 A 91 91 MET H H 91 8.468 8.534 -0.066 1
1 1074 . 11 1 1 A 91 91 MET CA C 91 57.606 58.665 -1.059 1
1 1075 . 11 1 1 A 91 91 MET HA H 91 4.355 4.041 0.314 1
1 1076 . 11 1 1 A 91 91 MET CB C 91 32.364 32.334 0.030 1
1 1086 . 11 1 1 A 91 91 MET C C 91 177.168 178.229 -1.061 1
1 1087 . 11 1 1 A 92 92 ALA N N 92 115.912 122.031 -6.119 1
1 1088 . 11 1 1 A 92 92 ALA H H 92 7.876 7.807 0.069 1
1 1089 . 11 1 1 A 92 92 ALA CA C 92 53.278 54.835 -1.557 1
1 1090 . 11 1 1 A 92 92 ALA HA H 92 4.316 4.263 0.053 1
1 1091 . 11 1 1 A 92 92 ALA CB C 92 20.275 18.578 1.697 1
1 1095 . 11 1 1 A 92 92 ALA C C 92 178.672 179.720 -1.048 1
1 1096 . 11 1 1 A 93 93 SER N N 93 111.760 112.982 -1.222 1
1 1097 . 11 1 1 A 93 93 SER H H 93 7.431 8.365 -0.934 1
1 1098 . 11 1 1 A 93 93 SER CA C 93 58.584 61.519 -2.935 1
1 1099 . 11 1 1 A 93 93 SER HA H 93 4.471 4.119 0.352 1
1 1100 . 11 1 1 A 93 93 SER CB C 93 64.582 63.174 1.408 1
1 1103 . 11 1 1 A 93 93 SER C C 93 173.576 176.103 -2.527 1
1 1104 . 11 1 1 A 94 94 ALA N N 94 123.381 122.738 0.643 1
1 1105 . 11 1 1 A 94 94 ALA H H 94 7.903 8.056 -0.153 1
1 1106 . 11 1 1 A 94 94 ALA CA C 94 52.760 53.206 -0.446 1
1 1107 . 11 1 1 A 94 94 ALA HA H 94 4.267 4.121 0.146 1
1 1108 . 11 1 1 A 94 94 ALA CB C 94 18.364 19.336 -0.972 1
1 1112 . 11 1 1 A 94 94 ALA C C 94 177.611 178.693 -1.082 1
1 1113 . 11 1 1 A 95 95 GLN N N 95 120.874 123.522 -2.648 1
1 1114 . 11 1 1 A 95 95 GLN H H 95 8.305 8.660 -0.355 1
1 1115 . 11 1 1 A 95 95 GLN CA C 95 56.821 58.754 -1.933 1
1 1116 . 11 1 1 A 95 95 GLN HA H 95 4.185 4.138 0.047 1
1 1117 . 11 1 1 A 95 95 GLN CB C 95 29.052 27.977 1.075 1
1 1126 . 11 1 1 A 95 95 GLN C C 95 175.975 175.440 0.535 1
1 1127 . 11 1 1 A 96 96 GLU N N 96 120.251 119.832 0.419 1
1 1128 . 11 1 1 A 96 96 GLU H H 96 8.402 7.957 0.445 1
1 1129 . 11 1 1 A 96 96 GLU CA C 96 54.378 53.204 1.174 1
1 1130 . 11 1 1 A 96 96 GLU HA H 96 4.537 4.735 -0.198 1
1 1131 . 11 1 1 A 96 96 GLU CB C 96 30.216 30.931 -0.715 1
1 1137 . 11 1 1 A 96 96 GLU C C 96 173.618 174.096 -0.478 1
1 1138 . 11 1 1 A 97 97 PRO CA C 97 62.763 62.314 0.449 1
1 1139 . 11 1 1 A 97 97 PRO HA H 97 4.362 4.635 -0.273 1
1 1140 . 11 1 1 A 97 97 PRO CB C 97 32.356 32.818 -0.462 1
1 1149 . 11 1 1 A 97 97 PRO C C 97 174.841 175.685 -0.844 1
1 1150 . 11 1 1 A 98 98 ASP N N 98 120.272 120.824 -0.552 1
1 1151 . 11 1 1 A 98 98 ASP H H 98 8.396 8.618 -0.222 1
1 1152 . 11 1 1 A 98 98 ASP CA C 98 54.555 54.052 0.503 1
1 1153 . 11 1 1 A 98 98 ASP HA H 98 4.409 4.574 -0.165 1
1 1154 . 11 1 1 A 98 98 ASP CB C 98 42.248 40.222 2.026 1
1 1157 . 11 1 1 A 98 98 ASP C C 98 176.253 176.820 -0.567 1
1 1158 . 11 1 1 A 99 99 LYS N N 99 126.808 127.154 -0.346 1
1 1159 . 11 1 1 A 99 99 LYS H H 99 8.454 8.729 -0.275 1
1 1160 . 11 1 1 A 99 99 LYS CA C 99 60.158 60.434 -0.276 1
1 1161 . 11 1 1 A 99 99 LYS HA H 99 3.705 3.844 -0.139 1
1 1162 . 11 1 1 A 99 99 LYS CB C 99 32.832 32.450 0.382 1
1 1174 . 11 1 1 A 99 99 LYS C C 99 177.621 178.167 -0.546 1
1 1175 . 11 1 1 A 100 100 LEU N N 100 118.450 120.055 -1.605 1
1 1176 . 11 1 1 A 100 100 LEU H H 100 8.160 8.130 0.030 1
1 1177 . 11 1 1 A 100 100 LEU CA C 100 58.094 57.773 0.321 1
1 1178 . 11 1 1 A 100 100 LEU HA H 100 4.020 3.953 0.067 1
1 1179 . 11 1 1 A 100 100 LEU CB C 100 40.800 41.749 -0.949 1
1 1192 . 11 1 1 A 100 100 LEU C C 100 179.776 178.765 1.011 1
1 1193 . 11 1 1 A 101 101 SER N N 101 115.644 113.772 1.872 1
1 1194 . 11 1 1 A 101 101 SER H H 101 8.047 8.031 0.016 1
1 1195 . 11 1 1 A 101 101 SER CA C 101 61.765 61.931 -0.166 1
1 1196 . 11 1 1 A 101 101 SER HA H 101 4.174 4.175 -0.001 1
1 1197 . 11 1 1 A 101 101 SER CB C 101 62.609 63.113 -0.504 1
1 1200 . 11 1 1 A 101 101 SER C C 101 176.476 176.720 -0.244 1
1 1201 . 11 1 1 A 102 102 MET N N 102 120.653 120.622 0.031 1
1 1202 . 11 1 1 A 102 102 MET H H 102 8.027 7.984 0.043 1
1 1203 . 11 1 1 A 102 102 MET CA C 102 56.380 58.547 -2.167 1
1 1204 . 11 1 1 A 102 102 MET HA H 102 4.508 4.206 0.302 1
1 1205 . 11 1 1 A 102 102 MET CB C 102 30.731 33.293 -2.562 1
1 1215 . 11 1 1 A 102 102 MET C C 102 178.903 178.353 0.550 1
1 1216 . 11 1 1 A 103 103 VAL N N 103 119.836 119.720 0.116 1
1 1217 . 11 1 1 A 103 103 VAL H H 103 8.556 8.385 0.171 1
1 1218 . 11 1 1 A 103 103 VAL CA C 103 67.049 66.489 0.560 1
1 1219 . 11 1 1 A 103 103 VAL HA H 103 3.370 3.499 -0.129 1
1 1220 . 11 1 1 A 103 103 VAL CB C 103 31.583 31.294 0.289 1
1 1230 . 11 1 1 A 103 103 VAL C C 103 179.225 178.167 1.058 1
1 1231 . 11 1 1 A 104 104 MET N N 104 120.390 119.037 1.353 1
1 1232 . 11 1 1 A 104 104 MET H H 104 8.112 8.694 -0.582 1
1 1233 . 11 1 1 A 104 104 MET CA C 104 58.991 58.569 0.422 1
1 1234 . 11 1 1 A 104 104 MET HA H 104 4.047 4.151 -0.104 1
1 1235 . 11 1 1 A 104 104 MET CB C 104 31.979 32.343 -0.364 1
1 1245 . 11 1 1 A 104 104 MET C C 104 178.210 177.756 0.454 1
1 1246 . 11 1 1 A 105 105 TYR N N 105 120.956 122.355 -1.399 1
1 1247 . 11 1 1 A 105 105 TYR H H 105 8.185 8.175 0.010 1
1 1248 . 11 1 1 A 105 105 TYR CA C 105 61.449 61.622 -0.173 1
1 1249 . 11 1 1 A 105 105 TYR HA H 105 4.317 4.207 0.110 1
1 1250 . 11 1 1 A 105 105 TYR CB C 105 40.259 38.739 1.520 1
1 1261 . 11 1 1 A 105 105 TYR C C 105 177.805 177.335 0.470 1
1 1262 . 11 1 1 A 106 106 LEU N N 106 116.468 120.973 -4.505 1
1 1263 . 11 1 1 A 106 106 LEU H H 106 9.088 8.669 0.419 1
1 1264 . 11 1 1 A 106 106 LEU CA C 106 57.744 57.933 -0.189 1
1 1265 . 11 1 1 A 106 106 LEU HA H 106 4.139 4.096 0.043 1
1 1266 . 11 1 1 A 106 106 LEU CB C 106 42.285 41.487 0.798 1
1 1279 . 11 1 1 A 106 106 LEU C C 106 180.758 178.781 1.977 1
1 1280 . 11 1 1 A 107 107 SER N N 107 114.570 113.448 1.122 1
1 1281 . 11 1 1 A 107 107 SER H H 107 8.338 8.031 0.307 1
1 1282 . 11 1 1 A 107 107 SER CA C 107 63.030 61.654 1.376 1
1 1283 . 11 1 1 A 107 107 SER HA H 107 4.016 4.147 -0.131 1
1 1284 . 11 1 1 A 107 107 SER CB C 107 62.866 63.025 -0.159 1
1 1287 . 11 1 1 A 107 107 SER C C 107 175.377 177.329 -1.952 1
1 1288 . 11 1 1 A 108 108 LYS N N 108 120.221 121.072 -0.851 1
1 1289 . 11 1 1 A 108 108 LYS H H 108 7.522 7.938 -0.416 1
1 1290 . 11 1 1 A 108 108 LYS CA C 108 58.870 59.188 -0.318 1
1 1291 . 11 1 1 A 108 108 LYS HA H 108 3.910 3.822 0.088 1
1 1292 . 11 1 1 A 108 108 LYS CB C 108 31.719 31.885 -0.166 1
1 1304 . 11 1 1 A 108 108 LYS C C 108 179.587 179.349 0.238 1
1 1305 . 11 1 1 A 109 109 PHE N N 109 118.900 119.535 -0.635 1
1 1306 . 11 1 1 A 109 109 PHE H H 109 7.282 8.006 -0.724 1
1 1307 . 11 1 1 A 109 109 PHE CA C 109 61.501 60.554 0.947 1
1 1308 . 11 1 1 A 109 109 PHE HA H 109 3.550 4.072 -0.522 1
1 1309 . 11 1 1 A 109 109 PHE CB C 109 38.201 38.598 -0.397 1
1 1322 . 11 1 1 A 109 109 PHE C C 109 176.181 178.124 -1.943 1
1 1323 . 11 1 1 A 110 110 TYR N N 110 120.089 119.361 0.728 1
1 1324 . 11 1 1 A 110 110 TYR H H 110 7.417 8.378 -0.961 1
1 1325 . 11 1 1 A 110 110 TYR CA C 110 60.263 61.573 -1.310 1
1 1326 . 11 1 1 A 110 110 TYR HA H 110 2.584 3.374 -0.790 1
1 1327 . 11 1 1 A 110 110 TYR CB C 110 38.138 38.476 -0.338 1
1 1338 . 11 1 1 A 110 110 TYR C C 110 176.298 176.813 -0.515 1
1 1339 . 11 1 1 A 111 111 GLU N N 111 115.750 118.203 -2.453 1
1 1340 . 11 1 1 A 111 111 GLU H H 111 7.899 8.565 -0.666 1
1 1341 . 11 1 1 A 111 111 GLU CA C 111 58.712 58.870 -0.158 1
1 1342 . 11 1 1 A 111 111 GLU HA H 111 3.528 3.446 0.082 1
1 1343 . 11 1 1 A 111 111 GLU CB C 111 29.429 29.205 0.224 1
1 1349 . 11 1 1 A 111 111 GLU C C 111 178.367 178.436 -0.069 1
1 1350 . 11 1 1 A 112 112 LEU N N 112 118.646 121.835 -3.189 1
1 1351 . 11 1 1 A 112 112 LEU H H 112 6.922 7.774 -0.852 1
1 1352 . 11 1 1 A 112 112 LEU CA C 112 57.107 57.998 -0.891 1
1 1353 . 11 1 1 A 112 112 LEU HA H 112 3.775 3.757 0.018 1
1 1354 . 11 1 1 A 112 112 LEU CB C 112 42.499 41.225 1.274 1
1 1367 . 11 1 1 A 112 112 LEU C C 112 178.820 178.085 0.735 1
1 1368 . 11 1 1 A 113 113 PHE N N 113 114.884 117.402 -2.518 1
1 1369 . 11 1 1 A 113 113 PHE H H 113 7.723 8.492 -0.769 1
1 1370 . 11 1 1 A 113 113 PHE CA C 113 57.108 60.720 -3.612 1
1 1371 . 11 1 1 A 113 113 PHE HA H 113 4.495 4.117 0.378 1
1 1372 . 11 1 1 A 113 113 PHE CB C 113 38.324 38.374 -0.050 1
1 1385 . 11 1 1 A 113 113 PHE C C 113 177.445 177.977 -0.532 1
1 1386 . 11 1 1 A 114 114 ARG N N 114 119.913 119.376 0.537 1
1 1387 . 11 1 1 A 114 114 ARG H H 114 7.840 8.028 -0.188 1
1 1388 . 11 1 1 A 114 114 ARG CA C 114 57.747 59.197 -1.450 1
1 1389 . 11 1 1 A 114 114 ARG HA H 114 4.164 3.907 0.257 1
1 1390 . 11 1 1 A 114 114 ARG CB C 114 28.994 29.892 -0.898 1
1 1399 . 11 1 1 A 114 114 ARG C C 114 177.051 176.091 0.960 1
1 1400 . 11 1 1 A 115 115 GLY N N 115 108.376 104.480 3.896 1
1 1401 . 11 1 1 A 115 115 GLY H H 115 8.070 7.579 0.491 1
1 1402 . 11 1 1 A 115 115 GLY CA C 115 45.201 45.951 -0.750 1
1 1403 . 11 1 1 A 115 115 GLY HA2 H 115 3.873 4.042 -0.169 1
1 1404 . 11 1 1 A 115 115 GLY HA3 H 115 3.988 4.054 -0.066 1
1 1405 . 11 1 1 A 115 115 GLY C C 115 173.987 171.585 2.402 1
1 1406 . 11 1 1 A 116 116 THR N N 116 116.618 117.878 -1.260 1
1 1407 . 11 1 1 A 116 116 THR H H 116 7.858 8.196 -0.338 1
1 1408 . 11 1 1 A 116 116 THR CA C 116 60.032 58.760 1.272 1
1 1409 . 11 1 1 A 116 116 THR HA H 116 4.620 4.729 -0.109 1
1 1410 . 11 1 1 A 116 116 THR CB C 116 70.082 69.854 0.228 1
1 1416 . 11 1 1 A 116 116 THR C C 116 172.615 172.761 -0.146 1
1 1417 . 11 1 1 A 117 117 PRO CA C 117 63.086 62.320 0.766 1
1 1418 . 11 1 1 A 117 117 PRO HA H 117 4.451 4.530 -0.079 1
1 1419 . 11 1 1 A 117 117 PRO CB C 117 32.220 32.360 -0.140 1
1 1428 . 11 1 1 A 117 117 PRO C C 117 176.812 176.046 0.766 1
1 1429 . 11 1 1 A 118 118 LEU N N 118 122.695 121.556 1.139 1
1 1430 . 11 1 1 A 118 118 LEU H H 118 8.424 8.302 0.122 1
1 1431 . 11 1 1 A 118 118 LEU CA C 118 55.266 53.945 1.321 1
1 1432 . 11 1 1 A 118 118 LEU HA H 118 4.276 4.565 -0.289 1
1 1433 . 11 1 1 A 118 118 LEU CB C 118 42.339 42.800 -0.461 1
1 1446 . 11 1 1 A 118 118 LEU C C 118 177.027 176.986 0.041 1
1 1447 . 11 1 1 A 119 119 ARG N N 119 122.979 122.293 0.686 1
1 1448 . 11 1 1 A 119 119 ARG H H 119 8.250 8.412 -0.162 1
1 1449 . 11 1 1 A 119 119 ARG CA C 119 53.688 55.181 -1.493 1
1 1450 . 11 1 1 A 119 119 ARG HA H 119 4.644 4.351 0.293 1
1 1451 . 11 1 1 A 119 119 ARG CB C 119 30.469 30.409 0.060 1
1 1460 . 11 1 1 A 119 119 ARG C C 119 174.019 175.394 -1.375 1
1 1461 . 11 1 1 A 120 120 PRO CA C 120 63.366 62.575 0.791 1
1 1462 . 11 1 1 A 120 120 PRO HA H 120 4.440 4.644 -0.204 1
1 1463 . 11 1 1 A 120 120 PRO CB C 120 31.958 31.526 0.432 1
1 1472 . 11 1 1 A 120 120 PRO C C 120 176.104 177.456 -1.352 1
1 1 . 12 1 1 A 6 6 SER CA C 6 58.867 57.603 1.264 1
1 2 . 12 1 1 A 6 6 SER HA H 6 4.432 5.040 -0.608 1
1 3 . 12 1 1 A 6 6 SER CB C 6 63.603 64.361 -0.758 1
1 6 . 12 1 1 A 6 6 SER C C 6 175.018 174.182 0.836 1
1 7 . 12 1 1 A 7 7 GLY N N 7 110.530 113.946 -3.416 1
1 8 . 12 1 1 A 7 7 GLY H H 7 8.382 8.890 -0.508 1
1 9 . 12 1 1 A 7 7 GLY CA C 7 45.311 44.380 0.931 1
1 10 . 12 1 1 A 7 7 GLY HA2 H 7 3.922 4.062 -0.140 1
1 11 . 12 1 1 A 7 7 GLY HA3 H 7 3.922 4.064 -0.142 1
1 12 . 12 1 1 A 7 7 GLY C C 7 173.740 173.314 0.426 1
1 13 . 12 1 1 A 8 8 ASP N N 8 120.471 121.717 -1.246 1
1 14 . 12 1 1 A 8 8 ASP H H 8 8.121 8.560 -0.439 1
1 15 . 12 1 1 A 8 8 ASP CA C 8 54.214 53.762 0.452 1
1 16 . 12 1 1 A 8 8 ASP HA H 8 4.560 4.746 -0.186 1
1 17 . 12 1 1 A 8 8 ASP CB C 8 41.172 41.952 -0.780 1
1 20 . 12 1 1 A 8 8 ASP C C 8 176.082 176.564 -0.482 1
1 21 . 12 1 1 A 9 9 ILE N N 9 121.785 122.017 -0.232 1
1 22 . 12 1 1 A 9 9 ILE H H 9 8.115 8.461 -0.346 1
1 23 . 12 1 1 A 9 9 ILE CA C 9 60.327 62.366 -2.039 1
1 24 . 12 1 1 A 9 9 ILE HA H 9 4.083 4.015 0.068 1
1 25 . 12 1 1 A 9 9 ILE CB C 9 38.394 37.517 0.877 1
1 38 . 12 1 1 A 9 9 ILE C C 9 175.579 175.768 -0.189 1
1 39 . 12 1 1 A 10 10 ARG N N 10 125.977 127.846 -1.869 1
1 40 . 12 1 1 A 10 10 ARG H H 10 8.319 8.747 -0.428 1
1 41 . 12 1 1 A 10 10 ARG CA C 10 54.661 61.139 -6.478 1
1 42 . 12 1 1 A 10 10 ARG HA H 10 4.493 4.026 0.467 1
1 43 . 12 1 1 A 10 10 ARG CB C 10 29.730 29.378 0.352 1
1 52 . 12 1 1 A 10 10 ARG C C 10 175.511 176.904 -1.393 1
1 53 . 12 1 1 A 11 11 PRO CA C 11 65.595 64.364 1.231 1
1 54 . 12 1 1 A 11 11 PRO HA H 11 4.064 4.365 -0.301 1
1 55 . 12 1 1 A 11 11 PRO CB C 11 31.690 31.869 -0.179 1
1 64 . 12 1 1 A 12 12 SER CA C 12 60.656 61.885 -1.229 1
1 65 . 12 1 1 A 12 12 SER HA H 12 4.194 4.098 0.096 1
1 66 . 12 1 1 A 12 12 SER CB C 12 62.321 62.912 -0.591 1
1 69 . 12 1 1 A 13 13 LYS H H 13 7.510 7.957 -0.447 1
1 70 . 12 1 1 A 13 13 LYS CA C 13 58.585 59.693 -1.108 1
1 71 . 12 1 1 A 13 13 LYS HA H 13 4.186 4.000 0.186 1
1 72 . 12 1 1 A 13 13 LYS CB C 13 32.274 31.850 0.424 1
1 84 . 12 1 1 A 13 13 LYS C C 13 179.028 178.391 0.637 1
1 85 . 12 1 1 A 14 14 LEU N N 14 121.315 120.484 0.831 1
1 86 . 12 1 1 A 14 14 LEU H H 14 7.968 8.169 -0.201 1
1 87 . 12 1 1 A 14 14 LEU CA C 14 57.648 58.519 -0.871 1
1 88 . 12 1 1 A 14 14 LEU HA H 14 3.889 3.798 0.091 1
1 89 . 12 1 1 A 14 14 LEU CB C 14 42.171 41.584 0.587 1
1 102 . 12 1 1 A 14 14 LEU C C 14 178.689 178.486 0.203 1
1 103 . 12 1 1 A 15 15 LEU N N 15 120.526 119.765 0.761 1
1 104 . 12 1 1 A 15 15 LEU H H 15 8.546 8.624 -0.078 1
1 105 . 12 1 1 A 15 15 LEU CA C 15 59.227 58.789 0.438 1
1 106 . 12 1 1 A 15 15 LEU HA H 15 4.038 4.107 -0.069 1
1 107 . 12 1 1 A 15 15 LEU CB C 15 40.993 41.981 -0.988 1
1 120 . 12 1 1 A 15 15 LEU C C 15 178.020 178.718 -0.698 1
1 121 . 12 1 1 A 16 16 THR N N 16 114.667 113.624 1.043 1
1 122 . 12 1 1 A 16 16 THR H H 16 7.945 7.776 0.169 1
1 123 . 12 1 1 A 16 16 THR CA C 16 66.778 66.219 0.559 1
1 124 . 12 1 1 A 16 16 THR HA H 16 4.162 4.352 -0.190 1
1 125 . 12 1 1 A 16 16 THR CB C 16 68.914 68.512 0.402 1
1 131 . 12 1 1 A 16 16 THR C C 16 176.419 176.771 -0.352 1
1 132 . 12 1 1 A 17 17 TRP N N 17 122.548 121.311 1.237 1
1 133 . 12 1 1 A 17 17 TRP H H 17 8.242 8.424 -0.182 1
1 134 . 12 1 1 A 17 17 TRP CA C 17 63.006 61.678 1.328 1
1 135 . 12 1 1 A 17 17 TRP HA H 17 4.442 4.264 0.178 1
1 136 . 12 1 1 A 17 17 TRP CB C 17 28.530 29.939 -1.409 1
1 151 . 12 1 1 A 17 17 TRP C C 17 178.678 178.027 0.651 1
1 152 . 12 1 1 A 18 18 CYS N N 18 117.202 116.714 0.488 1
1 153 . 12 1 1 A 18 18 CYS H H 18 8.993 8.332 0.661 1
1 154 . 12 1 1 A 18 18 CYS CA C 18 64.830 63.906 0.924 1
1 155 . 12 1 1 A 18 18 CYS HA H 18 3.855 3.964 -0.109 1
1 156 . 12 1 1 A 18 18 CYS CB C 18 27.945 27.335 0.610 1
1 159 . 12 1 1 A 18 18 CYS C C 18 178.411 177.248 1.163 1
1 160 . 12 1 1 A 19 19 GLN N N 19 120.296 119.809 0.487 1
1 161 . 12 1 1 A 19 19 GLN H H 19 8.696 8.639 0.057 1
1 162 . 12 1 1 A 19 19 GLN CA C 19 59.705 59.413 0.292 1
1 163 . 12 1 1 A 19 19 GLN HA H 19 3.654 3.899 -0.245 1
1 164 . 12 1 1 A 19 19 GLN CB C 19 27.820 28.176 -0.356 1
1 173 . 12 1 1 A 19 19 GLN C C 19 177.957 178.788 -0.831 1
1 174 . 12 1 1 A 20 20 GLN N N 20 119.247 118.699 0.548 1
1 175 . 12 1 1 A 20 20 GLN H H 20 8.306 8.426 -0.120 1
1 176 . 12 1 1 A 20 20 GLN CA C 20 58.838 58.782 0.056 1
1 177 . 12 1 1 A 20 20 GLN HA H 20 4.016 3.918 0.098 1
1 178 . 12 1 1 A 20 20 GLN CB C 20 28.000 28.338 -0.338 1
1 187 . 12 1 1 A 20 20 GLN C C 20 179.476 178.734 0.742 1
1 188 . 12 1 1 A 21 21 GLN N N 21 113.337 118.763 -5.426 1
1 189 . 12 1 1 A 21 21 GLN H H 21 7.999 7.718 0.281 1
1 190 . 12 1 1 A 21 21 GLN CA C 21 55.909 58.490 -2.581 1
1 191 . 12 1 1 A 21 21 GLN HA H 21 4.043 3.876 0.167 1
1 192 . 12 1 1 A 21 21 GLN CB C 21 27.676 28.171 -0.495 1
1 201 . 12 1 1 A 21 21 GLN C C 21 177.394 177.098 0.296 1
1 202 . 12 1 1 A 22 22 THR N N 22 103.485 108.475 -4.990 1
1 203 . 12 1 1 A 22 22 THR H H 22 7.119 7.854 -0.735 1
1 204 . 12 1 1 A 22 22 THR CA C 22 61.272 60.628 0.644 1
1 205 . 12 1 1 A 22 22 THR HA H 22 4.092 4.577 -0.485 1
1 206 . 12 1 1 A 22 22 THR CB C 22 69.448 68.390 1.058 1
1 212 . 12 1 1 A 22 22 THR C C 22 174.644 174.833 -0.189 1
1 213 . 12 1 1 A 23 23 GLU N N 23 125.366 121.614 3.752 1
1 214 . 12 1 1 A 23 23 GLU H H 23 6.949 8.073 -1.124 1
1 215 . 12 1 1 A 23 23 GLU CA C 23 58.389 57.748 0.641 1
1 216 . 12 1 1 A 23 23 GLU HA H 23 3.999 4.292 -0.293 1
1 217 . 12 1 1 A 23 23 GLU CB C 23 29.683 30.185 -0.502 1
1 223 . 12 1 1 A 23 23 GLU C C 23 177.061 178.618 -1.557 1
1 224 . 12 1 1 A 24 24 GLY N N 24 112.717 106.933 5.784 1
1 225 . 12 1 1 A 24 24 GLY H H 24 8.732 8.082 0.650 1
1 226 . 12 1 1 A 24 24 GLY CA C 24 45.326 46.245 -0.919 1
1 227 . 12 1 1 A 24 24 GLY HA2 H 24 3.988 3.871 0.117 1
1 228 . 12 1 1 A 24 24 GLY HA3 H 24 3.538 3.905 -0.367 1
1 229 . 12 1 1 A 24 24 GLY C C 24 174.531 174.123 0.408 1
1 230 . 12 1 1 A 25 25 TYR N N 25 120.189 120.095 0.094 1
1 231 . 12 1 1 A 25 25 TYR H H 25 7.488 7.686 -0.198 1
1 232 . 12 1 1 A 25 25 TYR CA C 25 59.028 57.944 1.084 1
1 233 . 12 1 1 A 25 25 TYR HA H 25 3.947 4.279 -0.332 1
1 234 . 12 1 1 A 25 25 TYR CB C 25 37.202 38.637 -1.435 1
1 245 . 12 1 1 A 25 25 TYR C C 25 176.354 175.715 0.639 1
1 246 . 12 1 1 A 26 26 GLN N N 26 125.301 120.903 4.398 1
1 247 . 12 1 1 A 26 26 GLN H H 26 8.877 8.353 0.524 1
1 248 . 12 1 1 A 26 26 GLN CA C 26 56.923 55.105 1.818 1
1 249 . 12 1 1 A 26 26 GLN HA H 26 3.866 4.608 -0.742 1
1 250 . 12 1 1 A 26 26 GLN CB C 26 28.808 30.284 -1.476 1
1 259 . 12 1 1 A 26 26 GLN C C 26 175.582 176.034 -0.452 1
1 260 . 12 1 1 A 27 27 HIS N N 27 111.738 116.680 -4.942 1
1 261 . 12 1 1 A 27 27 HIS H H 27 8.581 8.564 0.017 1
1 262 . 12 1 1 A 27 27 HIS CA C 27 56.937 56.929 0.008 1
1 263 . 12 1 1 A 27 27 HIS HA H 27 4.174 3.991 0.183 1
1 264 . 12 1 1 A 27 27 HIS CB C 27 26.839 26.665 0.174 1
1 271 . 12 1 1 A 27 27 HIS C C 27 172.979 174.208 -1.229 1
1 272 . 12 1 1 A 28 28 VAL N N 28 118.229 118.840 -0.611 1
1 273 . 12 1 1 A 28 28 VAL H H 28 7.377 7.643 -0.266 1
1 274 . 12 1 1 A 28 28 VAL CA C 28 61.927 61.643 0.284 1
1 275 . 12 1 1 A 28 28 VAL HA H 28 3.922 4.214 -0.292 1
1 276 . 12 1 1 A 28 28 VAL CB C 28 33.373 32.604 0.769 1
1 286 . 12 1 1 A 28 28 VAL C C 28 174.687 174.168 0.519 1
1 287 . 12 1 1 A 29 29 ASN N N 29 125.832 126.047 -0.215 1
1 288 . 12 1 1 A 29 29 ASN H H 29 8.604 8.930 -0.326 1
1 289 . 12 1 1 A 29 29 ASN CA C 29 52.651 51.835 0.816 1
1 290 . 12 1 1 A 29 29 ASN HA H 29 4.682 5.332 -0.650 1
1 291 . 12 1 1 A 29 29 ASN CB C 29 39.124 38.827 0.297 1
1 297 . 12 1 1 A 29 29 ASN C C 29 173.380 173.681 -0.301 1
1 298 . 12 1 1 A 30 30 VAL N N 30 125.146 125.260 -0.114 1
1 299 . 12 1 1 A 30 30 VAL H H 30 9.203 8.804 0.399 1
1 300 . 12 1 1 A 30 30 VAL CA C 30 63.838 62.824 1.014 1
1 301 . 12 1 1 A 30 30 VAL HA H 30 3.699 4.017 -0.318 1
1 302 . 12 1 1 A 30 30 VAL CB C 30 31.136 30.977 0.159 1
1 312 . 12 1 1 A 30 30 VAL C C 30 176.046 176.473 -0.427 1
1 313 . 12 1 1 A 31 31 THR N N 31 118.952 118.192 0.760 1
1 314 . 12 1 1 A 31 31 THR H H 31 8.396 8.780 -0.384 1
1 315 . 12 1 1 A 31 31 THR CA C 31 60.985 61.967 -0.982 1
1 316 . 12 1 1 A 31 31 THR HA H 31 4.316 4.638 -0.322 1
1 317 . 12 1 1 A 31 31 THR CB C 31 70.087 70.471 -0.384 1
1 323 . 12 1 1 A 31 31 THR C C 31 173.296 174.738 -1.442 1
1 324 . 12 1 1 A 32 32 ASP N N 32 120.757 120.406 0.351 1
1 325 . 12 1 1 A 32 32 ASP H H 32 8.078 7.705 0.373 1
1 326 . 12 1 1 A 32 32 ASP CA C 32 53.069 52.917 0.152 1
1 327 . 12 1 1 A 32 32 ASP HA H 32 4.536 5.161 -0.625 1
1 328 . 12 1 1 A 32 32 ASP CB C 32 41.527 44.398 -2.871 1
1 331 . 12 1 1 A 32 32 ASP C C 32 174.931 175.479 -0.548 1
1 332 . 12 1 1 A 33 33 LEU N N 33 117.024 120.332 -3.308 1
1 333 . 12 1 1 A 33 33 LEU H H 33 8.733 8.522 0.211 1
1 334 . 12 1 1 A 33 33 LEU CA C 33 54.453 54.261 0.192 1
1 335 . 12 1 1 A 33 33 LEU HA H 33 4.834 4.921 -0.087 1
1 336 . 12 1 1 A 33 33 LEU CB C 33 41.867 42.001 -0.134 1
1 349 . 12 1 1 A 33 33 LEU C C 33 174.039 177.027 -2.988 1
1 350 . 12 1 1 A 34 34 THR N N 34 103.873 111.670 -7.797 1
1 351 . 12 1 1 A 34 34 THR H H 34 7.900 7.862 0.038 1
1 352 . 12 1 1 A 34 34 THR CA C 34 60.434 62.621 -2.187 1
1 353 . 12 1 1 A 34 34 THR HA H 34 4.519 4.629 -0.110 1
1 354 . 12 1 1 A 34 34 THR CB C 34 70.237 69.856 0.381 1
1 360 . 12 1 1 A 34 34 THR C C 34 175.954 175.679 0.275 1
1 361 . 12 1 1 A 35 35 THR N N 35 118.103 114.880 3.223 1
1 362 . 12 1 1 A 35 35 THR H H 35 9.363 8.493 0.870 1
1 363 . 12 1 1 A 35 35 THR CA C 35 66.422 64.937 1.485 1
1 364 . 12 1 1 A 35 35 THR HA H 35 3.981 4.185 -0.204 1
1 365 . 12 1 1 A 35 35 THR CB C 35 68.720 68.661 0.059 1
1 371 . 12 1 1 A 35 35 THR C C 35 177.778 177.072 0.706 1
1 372 . 12 1 1 A 36 36 SER N N 36 120.417 116.607 3.810 1
1 373 . 12 1 1 A 36 36 SER H H 36 10.544 8.318 2.226 1
1 374 . 12 1 1 A 36 36 SER CA C 36 61.076 62.202 -1.126 1
1 375 . 12 1 1 A 36 36 SER HA H 36 4.395 4.153 0.242 1
1 376 . 12 1 1 A 36 36 SER CB C 36 63.485 63.204 0.281 1
1 379 . 12 1 1 A 36 36 SER C C 36 173.956 175.417 -1.461 1
1 380 . 12 1 1 A 37 37 TRP N N 37 121.387 118.600 2.787 1
1 381 . 12 1 1 A 37 37 TRP H H 37 8.126 8.100 0.026 1
1 382 . 12 1 1 A 37 37 TRP CA C 37 57.689 56.454 1.235 1
1 383 . 12 1 1 A 37 37 TRP HA H 37 4.340 5.034 -0.694 1
1 384 . 12 1 1 A 37 37 TRP CB C 37 28.915 29.211 -0.296 1
1 399 . 12 1 1 A 37 37 TRP C C 37 176.751 176.929 -0.178 1
1 400 . 12 1 1 A 38 38 ARG N N 38 121.787 120.186 1.601 1
1 401 . 12 1 1 A 38 38 ARG H H 38 7.473 8.368 -0.895 1
1 402 . 12 1 1 A 38 38 ARG CA C 38 60.250 58.886 1.364 1
1 403 . 12 1 1 A 38 38 ARG HA H 38 4.065 4.212 -0.147 1
1 404 . 12 1 1 A 38 38 ARG CB C 38 30.807 30.011 0.796 1
1 415 . 12 1 1 A 38 38 ARG C C 38 177.636 178.479 -0.843 1
1 416 . 12 1 1 A 39 39 SER N N 39 110.340 111.033 -0.693 1
1 417 . 12 1 1 A 39 39 SER H H 39 8.665 7.991 0.674 1
1 418 . 12 1 1 A 39 39 SER CA C 39 59.336 59.227 0.109 1
1 419 . 12 1 1 A 39 39 SER HA H 39 4.349 4.424 -0.075 1
1 420 . 12 1 1 A 39 39 SER CB C 39 64.907 64.495 0.412 1
1 423 . 12 1 1 A 39 39 SER C C 39 174.768 175.125 -0.357 1
1 424 . 12 1 1 A 40 40 GLY N N 40 109.467 109.558 -0.091 1
1 425 . 12 1 1 A 40 40 GLY H H 40 7.549 7.844 -0.295 1
1 426 . 12 1 1 A 40 40 GLY CA C 40 46.347 45.309 1.038 1
1 427 . 12 1 1 A 40 40 GLY HA2 H 40 3.875 3.869 0.006 1
1 428 . 12 1 1 A 40 40 GLY HA3 H 40 3.915 3.936 -0.021 1
1 429 . 12 1 1 A 40 40 GLY C C 40 173.725 175.934 -2.209 1
1 430 . 12 1 1 A 41 41 LEU N N 41 117.562 121.750 -4.188 1
1 431 . 12 1 1 A 41 41 LEU H H 41 7.287 8.196 -0.909 1
1 432 . 12 1 1 A 41 41 LEU CA C 41 57.482 57.556 -0.074 1
1 433 . 12 1 1 A 41 41 LEU HA H 41 3.882 3.553 0.329 1
1 434 . 12 1 1 A 41 41 LEU CB C 41 42.615 41.582 1.033 1
1 447 . 12 1 1 A 41 41 LEU C C 41 178.159 178.721 -0.562 1
1 448 . 12 1 1 A 42 42 ALA N N 42 121.758 121.602 0.156 1
1 449 . 12 1 1 A 42 42 ALA H H 42 8.506 8.106 0.400 1
1 450 . 12 1 1 A 42 42 ALA CA C 42 55.694 55.061 0.633 1
1 451 . 12 1 1 A 42 42 ALA HA H 42 3.582 3.728 -0.146 1
1 452 . 12 1 1 A 42 42 ALA CB C 42 17.039 17.995 -0.956 1
1 456 . 12 1 1 A 42 42 ALA C C 42 178.076 179.489 -1.413 1
1 457 . 12 1 1 A 43 43 LEU N N 43 118.332 119.516 -1.184 1
1 458 . 12 1 1 A 43 43 LEU H H 43 8.933 7.977 0.956 1
1 459 . 12 1 1 A 43 43 LEU CA C 43 57.425 57.897 -0.472 1
1 460 . 12 1 1 A 43 43 LEU HA H 43 4.308 4.320 -0.012 1
1 461 . 12 1 1 A 43 43 LEU CB C 43 42.068 41.734 0.334 1
1 474 . 12 1 1 A 43 43 LEU C C 43 179.198 178.453 0.745 1
1 475 . 12 1 1 A 44 44 CYS N N 44 115.098 116.893 -1.795 1
1 476 . 12 1 1 A 44 44 CYS H H 44 7.607 8.227 -0.620 1
1 477 . 12 1 1 A 44 44 CYS CA C 44 65.664 62.341 3.323 1
1 478 . 12 1 1 A 44 44 CYS HA H 44 4.035 4.084 -0.049 1
1 479 . 12 1 1 A 44 44 CYS CB C 44 27.516 26.737 0.779 1
1 482 . 12 1 1 A 44 44 CYS C C 44 176.222 177.139 -0.917 1
1 483 . 12 1 1 A 45 45 ALA N N 45 121.778 122.252 -0.474 1
1 484 . 12 1 1 A 45 45 ALA H H 45 8.435 7.537 0.898 1
1 485 . 12 1 1 A 45 45 ALA CA C 45 55.306 54.815 0.491 1
1 486 . 12 1 1 A 45 45 ALA HA H 45 3.184 3.811 -0.627 1
1 487 . 12 1 1 A 45 45 ALA CB C 45 17.395 17.516 -0.121 1
1 491 . 12 1 1 A 45 45 ALA C C 45 177.510 179.707 -2.197 1
1 492 . 12 1 1 A 46 46 ILE N N 46 116.463 117.680 -1.217 1
1 493 . 12 1 1 A 46 46 ILE H H 46 7.527 7.529 -0.002 1
1 494 . 12 1 1 A 46 46 ILE CA C 46 65.137 65.163 -0.026 1
1 495 . 12 1 1 A 46 46 ILE HA H 46 3.267 3.657 -0.390 1
1 496 . 12 1 1 A 46 46 ILE CB C 46 37.084 37.834 -0.750 1
1 509 . 12 1 1 A 46 46 ILE C C 46 176.744 178.485 -1.741 1
1 510 . 12 1 1 A 47 47 ILE N N 47 115.676 120.026 -4.350 1
1 511 . 12 1 1 A 47 47 ILE H H 47 7.786 7.811 -0.025 1
1 512 . 12 1 1 A 47 47 ILE CA C 47 66.948 65.308 1.640 1
1 513 . 12 1 1 A 47 47 ILE HA H 47 3.754 3.956 -0.202 1
1 514 . 12 1 1 A 47 47 ILE CB C 47 38.335 38.033 0.302 1
1 527 . 12 1 1 A 47 47 ILE C C 47 176.853 178.348 -1.495 1
1 528 . 12 1 1 A 48 48 HIS N N 48 120.066 120.014 0.052 1
1 529 . 12 1 1 A 48 48 HIS H H 48 8.569 8.450 0.119 1
1 530 . 12 1 1 A 48 48 HIS CA C 48 60.767 60.000 0.767 1
1 531 . 12 1 1 A 48 48 HIS HA H 48 3.918 4.377 -0.459 1
1 532 . 12 1 1 A 48 48 HIS CB C 48 31.245 30.021 1.224 1
1 539 . 12 1 1 A 48 48 HIS C C 48 175.841 176.969 -1.128 1
1 540 . 12 1 1 A 49 49 ARG N N 49 118.781 118.089 0.692 1
1 541 . 12 1 1 A 49 49 ARG H H 49 8.572 8.577 -0.005 1
1 542 . 12 1 1 A 49 49 ARG CA C 49 58.152 59.183 -1.031 1
1 543 . 12 1 1 A 49 49 ARG HA H 49 3.680 4.089 -0.409 1
1 544 . 12 1 1 A 49 49 ARG CB C 49 28.454 29.988 -1.534 1
1 555 . 12 1 1 A 49 49 ARG C C 49 177.830 179.130 -1.300 1
1 556 . 12 1 1 A 50 50 PHE N N 50 113.909 117.801 -3.892 1
1 557 . 12 1 1 A 50 50 PHE H H 50 6.900 7.908 -1.008 1
1 558 . 12 1 1 A 50 50 PHE CA C 50 59.885 59.863 0.022 1
1 559 . 12 1 1 A 50 50 PHE HA H 50 4.281 4.375 -0.094 1
1 560 . 12 1 1 A 50 50 PHE CB C 50 41.527 39.619 1.908 1
1 573 . 12 1 1 A 50 50 PHE C C 50 176.867 176.079 0.788 1
1 574 . 12 1 1 A 51 51 ARG N N 51 120.652 119.062 1.590 1
1 575 . 12 1 1 A 51 51 ARG H H 51 9.059 8.254 0.805 1
1 576 . 12 1 1 A 51 51 ARG CA C 51 51.499 53.823 -2.324 1
1 577 . 12 1 1 A 51 51 ARG HA H 51 4.942 4.812 0.130 1
1 578 . 12 1 1 A 51 51 ARG CB C 51 30.307 30.709 -0.402 1
1 589 . 12 1 1 A 51 51 ARG C C 51 172.670 174.575 -1.905 1
1 590 . 12 1 1 A 52 52 PRO CA C 52 64.948 63.975 0.973 1
1 591 . 12 1 1 A 52 52 PRO HA H 52 4.343 3.743 0.600 1
1 592 . 12 1 1 A 52 52 PRO CB C 52 31.091 31.329 -0.238 1
1 601 . 12 1 1 A 52 52 PRO C C 52 177.406 177.724 -0.318 1
1 602 . 12 1 1 A 53 53 GLU N N 53 118.219 115.849 2.370 1
1 603 . 12 1 1 A 53 53 GLU H H 53 9.784 8.881 0.903 1
1 604 . 12 1 1 A 53 53 GLU CA C 53 57.285 58.948 -1.663 1
1 605 . 12 1 1 A 53 53 GLU HA H 53 4.322 4.102 0.220 1
1 606 . 12 1 1 A 53 53 GLU CB C 53 27.771 29.007 -1.236 1
1 612 . 12 1 1 A 53 53 GLU C C 53 177.957 179.335 -1.378 1
1 613 . 12 1 1 A 54 54 LEU N N 54 119.316 119.074 0.242 1
1 614 . 12 1 1 A 54 54 LEU H H 54 8.212 7.494 0.718 1
1 615 . 12 1 1 A 54 54 LEU CA C 54 55.943 57.201 -1.258 1
1 616 . 12 1 1 A 54 54 LEU HA H 54 4.337 4.111 0.226 1
1 617 . 12 1 1 A 54 54 LEU CB C 54 43.122 42.654 0.468 1
1 630 . 12 1 1 A 54 54 LEU C C 54 177.159 177.278 -0.119 1
1 631 . 12 1 1 A 55 55 ILE N N 55 115.493 118.004 -2.511 1
1 632 . 12 1 1 A 55 55 ILE H H 55 6.990 7.269 -0.279 1
1 633 . 12 1 1 A 55 55 ILE CA C 55 59.645 59.923 -0.278 1
1 634 . 12 1 1 A 55 55 ILE HA H 55 4.230 4.814 -0.584 1
1 635 . 12 1 1 A 55 55 ILE CB C 55 43.159 42.286 0.873 1
1 648 . 12 1 1 A 55 55 ILE C C 55 173.302 174.520 -1.218 1
1 649 . 12 1 1 A 56 56 ASN N N 56 124.568 124.017 0.551 1
1 650 . 12 1 1 A 56 56 ASN H H 56 8.984 8.717 0.267 1
1 651 . 12 1 1 A 56 56 ASN CA C 56 51.198 52.081 -0.883 1
1 652 . 12 1 1 A 56 56 ASN HA H 56 5.100 5.500 -0.400 1
1 653 . 12 1 1 A 56 56 ASN CB C 56 36.452 38.660 -2.208 1
1 659 . 12 1 1 A 56 56 ASN C C 56 175.902 175.971 -0.069 1
1 660 . 12 1 1 A 57 57 PHE N N 57 126.548 122.604 3.944 1
1 661 . 12 1 1 A 57 57 PHE H H 57 7.219 8.928 -1.709 1
1 662 . 12 1 1 A 57 57 PHE CA C 57 62.399 62.621 -0.222 1
1 663 . 12 1 1 A 57 57 PHE HA H 57 3.514 3.967 -0.453 1
1 664 . 12 1 1 A 57 57 PHE CB C 57 39.553 39.664 -0.111 1
1 677 . 12 1 1 A 57 57 PHE C C 57 176.597 176.776 -0.179 1
1 678 . 12 1 1 A 58 58 ASP N N 58 116.755 120.032 -3.277 1
1 679 . 12 1 1 A 58 58 ASP H H 58 8.691 8.536 0.155 1
1 680 . 12 1 1 A 58 58 ASP CA C 58 56.635 57.504 -0.869 1
1 681 . 12 1 1 A 58 58 ASP HA H 58 4.324 4.469 -0.145 1
1 682 . 12 1 1 A 58 58 ASP CB C 58 40.262 41.127 -0.865 1
1 685 . 12 1 1 A 58 58 ASP C C 58 176.562 178.502 -1.940 1
1 686 . 12 1 1 A 59 59 SER N N 59 112.320 113.182 -0.862 1
1 687 . 12 1 1 A 59 59 SER H H 59 7.412 8.223 -0.811 1
1 688 . 12 1 1 A 59 59 SER CA C 59 58.740 61.214 -2.474 1
1 689 . 12 1 1 A 59 59 SER HA H 59 4.365 4.314 0.051 1
1 690 . 12 1 1 A 59 59 SER CB C 59 64.598 63.018 1.580 1
1 693 . 12 1 1 A 59 59 SER C C 59 174.309 174.764 -0.455 1
1 694 . 12 1 1 A 60 60 LEU N N 60 121.693 122.307 -0.614 1
1 695 . 12 1 1 A 60 60 LEU H H 60 7.176 7.722 -0.546 1
1 696 . 12 1 1 A 60 60 LEU CA C 60 54.593 55.624 -1.031 1
1 697 . 12 1 1 A 60 60 LEU HA H 60 4.196 4.067 0.129 1
1 698 . 12 1 1 A 60 60 LEU CB C 60 40.943 41.665 -0.722 1
1 711 . 12 1 1 A 60 60 LEU C C 60 176.774 176.837 -0.063 1
1 712 . 12 1 1 A 61 61 ASN N N 61 121.648 124.001 -2.353 1
1 713 . 12 1 1 A 61 61 ASN H H 61 9.391 8.659 0.732 1
1 714 . 12 1 1 A 61 61 ASN CA C 61 51.763 53.831 -2.068 1
1 715 . 12 1 1 A 61 61 ASN HA H 61 4.721 4.645 0.076 1
1 716 . 12 1 1 A 61 61 ASN CB C 61 40.025 40.237 -0.212 1
1 722 . 12 1 1 A 61 61 ASN C C 61 176.599 176.508 0.091 1
1 723 . 12 1 1 A 62 62 GLU N N 62 126.707 126.267 0.440 1
1 724 . 12 1 1 A 62 62 GLU H H 62 9.255 8.821 0.434 1
1 725 . 12 1 1 A 62 62 GLU CA C 62 58.926 59.146 -0.220 1
1 726 . 12 1 1 A 62 62 GLU HA H 62 3.688 3.982 -0.294 1
1 727 . 12 1 1 A 62 62 GLU CB C 62 29.479 29.048 0.431 1
1 733 . 12 1 1 A 62 62 GLU C C 62 176.196 178.073 -1.877 1
1 734 . 12 1 1 A 63 63 ASP N N 63 116.763 120.457 -3.694 1
1 735 . 12 1 1 A 63 63 ASP H H 63 8.317 7.942 0.375 1
1 736 . 12 1 1 A 63 63 ASP CA C 63 55.499 56.807 -1.308 1
1 737 . 12 1 1 A 63 63 ASP HA H 63 4.509 4.331 0.178 1
1 738 . 12 1 1 A 63 63 ASP CB C 63 40.697 40.750 -0.053 1
1 741 . 12 1 1 A 63 63 ASP C C 63 177.195 177.211 -0.016 1
1 742 . 12 1 1 A 64 64 ASP N N 64 123.036 117.620 5.416 1
1 743 . 12 1 1 A 64 64 ASP H H 64 7.422 7.836 -0.414 1
1 744 . 12 1 1 A 64 64 ASP CA C 64 52.760 53.508 -0.748 1
1 745 . 12 1 1 A 64 64 ASP HA H 64 4.949 4.879 0.070 1
1 746 . 12 1 1 A 64 64 ASP CB C 64 38.920 39.241 -0.321 1
1 749 . 12 1 1 A 64 64 ASP C C 64 174.979 176.211 -1.232 1
1 750 . 12 1 1 A 65 65 ALA N N 65 123.411 123.331 0.080 1
1 751 . 12 1 1 A 65 65 ALA H H 65 7.527 8.200 -0.673 1
1 752 . 12 1 1 A 65 65 ALA CA C 65 55.750 55.163 0.587 1
1 753 . 12 1 1 A 65 65 ALA HA H 65 4.295 3.874 0.421 1
1 754 . 12 1 1 A 65 65 ALA CB C 65 19.889 18.557 1.332 1
1 758 . 12 1 1 A 65 65 ALA C C 65 181.114 179.610 1.504 1
1 759 . 12 1 1 A 66 66 VAL N N 66 119.151 118.345 0.806 1
1 760 . 12 1 1 A 66 66 VAL H H 66 8.305 8.216 0.089 1
1 761 . 12 1 1 A 66 66 VAL CA C 66 67.423 66.930 0.493 1
1 762 . 12 1 1 A 66 66 VAL HA H 66 3.292 3.581 -0.289 1
1 763 . 12 1 1 A 66 66 VAL CB C 66 31.418 31.594 -0.176 1
1 773 . 12 1 1 A 66 66 VAL C C 66 177.471 177.820 -0.349 1
1 774 . 12 1 1 A 67 67 GLU N N 67 117.895 118.848 -0.953 1
1 775 . 12 1 1 A 67 67 GLU H H 67 8.256 8.351 -0.095 1
1 776 . 12 1 1 A 67 67 GLU CA C 67 59.831 59.577 0.254 1
1 777 . 12 1 1 A 67 67 GLU HA H 67 3.901 3.966 -0.065 1
1 778 . 12 1 1 A 67 67 GLU CB C 67 28.963 29.176 -0.213 1
1 784 . 12 1 1 A 67 67 GLU C C 67 179.796 179.176 0.620 1
1 785 . 12 1 1 A 68 68 ASN N N 68 119.611 118.649 0.962 1
1 786 . 12 1 1 A 68 68 ASN H H 68 9.019 8.203 0.816 1
1 787 . 12 1 1 A 68 68 ASN CA C 68 55.797 56.463 -0.666 1
1 788 . 12 1 1 A 68 68 ASN HA H 68 4.325 4.360 -0.035 1
1 789 . 12 1 1 A 68 68 ASN CB C 68 37.140 37.532 -0.392 1
1 795 . 12 1 1 A 68 68 ASN C C 68 177.193 178.091 -0.898 1
1 796 . 12 1 1 A 69 69 ASN N N 69 115.555 117.814 -2.259 1
1 797 . 12 1 1 A 69 69 ASN H H 69 7.589 8.395 -0.806 1
1 798 . 12 1 1 A 69 69 ASN CA C 69 57.155 56.203 0.952 1
1 799 . 12 1 1 A 69 69 ASN HA H 69 3.880 4.135 -0.255 1
1 800 . 12 1 1 A 69 69 ASN CB C 69 40.785 38.319 2.466 1
1 806 . 12 1 1 A 69 69 ASN C C 69 175.062 177.536 -2.474 1
1 807 . 12 1 1 A 70 70 GLN N N 70 115.794 120.030 -4.236 1
1 808 . 12 1 1 A 70 70 GLN H H 70 8.058 7.982 0.076 1
1 809 . 12 1 1 A 70 70 GLN CA C 70 58.400 58.965 -0.565 1
1 810 . 12 1 1 A 70 70 GLN HA H 70 3.591 4.299 -0.708 1
1 811 . 12 1 1 A 70 70 GLN CB C 70 29.420 28.492 0.928 1
1 820 . 12 1 1 A 70 70 GLN C C 70 176.954 177.953 -0.999 1
1 821 . 12 1 1 A 71 71 LEU N N 71 118.631 120.926 -2.295 1
1 822 . 12 1 1 A 71 71 LEU H H 71 8.090 8.018 0.072 1
1 823 . 12 1 1 A 71 71 LEU CA C 71 58.121 58.471 -0.350 1
1 824 . 12 1 1 A 71 71 LEU HA H 71 4.291 4.014 0.277 1
1 825 . 12 1 1 A 71 71 LEU CB C 71 42.100 41.906 0.194 1
1 838 . 12 1 1 A 71 71 LEU C C 71 177.664 178.157 -0.493 1
1 839 . 12 1 1 A 72 72 ALA N N 72 119.977 120.304 -0.327 1
1 840 . 12 1 1 A 72 72 ALA H H 72 7.274 7.961 -0.687 1
1 841 . 12 1 1 A 72 72 ALA CA C 72 55.807 54.978 0.829 1
1 842 . 12 1 1 A 72 72 ALA HA H 72 3.873 4.094 -0.221 1
1 843 . 12 1 1 A 72 72 ALA CB C 72 18.412 18.572 -0.160 1
1 847 . 12 1 1 A 72 72 ALA C C 72 179.676 179.857 -0.181 1
1 848 . 12 1 1 A 73 73 PHE N N 73 115.018 116.062 -1.044 1
1 849 . 12 1 1 A 73 73 PHE H H 73 8.722 7.855 0.867 1
1 850 . 12 1 1 A 73 73 PHE CA C 73 56.889 62.615 -5.726 1
1 851 . 12 1 1 A 73 73 PHE HA H 73 4.848 4.594 0.254 1
1 852 . 12 1 1 A 73 73 PHE CB C 73 37.404 38.705 -1.301 1
1 865 . 12 1 1 A 73 73 PHE C C 73 180.123 177.949 2.174 1
1 866 . 12 1 1 A 74 74 ASP N N 74 122.136 119.741 2.395 1
1 867 . 12 1 1 A 74 74 ASP H H 74 9.262 8.954 0.308 1
1 868 . 12 1 1 A 74 74 ASP CA C 74 57.648 57.658 -0.010 1
1 869 . 12 1 1 A 74 74 ASP HA H 74 4.550 4.462 0.088 1
1 870 . 12 1 1 A 74 74 ASP CB C 74 40.073 41.253 -1.180 1
1 873 . 12 1 1 A 74 74 ASP C C 74 179.818 178.531 1.287 1
1 874 . 12 1 1 A 75 75 VAL N N 75 122.521 119.377 3.144 1
1 875 . 12 1 1 A 75 75 VAL H H 75 9.080 8.248 0.832 1
1 876 . 12 1 1 A 75 75 VAL CA C 75 66.894 66.663 0.231 1
1 877 . 12 1 1 A 75 75 VAL HA H 75 3.611 3.553 0.058 1
1 878 . 12 1 1 A 75 75 VAL CB C 75 31.943 31.485 0.458 1
1 888 . 12 1 1 A 75 75 VAL C C 75 177.813 178.177 -0.364 1
1 889 . 12 1 1 A 76 76 ALA N N 76 121.109 121.241 -0.132 1
1 890 . 12 1 1 A 76 76 ALA H H 76 8.813 8.433 0.380 1
1 891 . 12 1 1 A 76 76 ALA CA C 76 55.181 55.230 -0.049 1
1 892 . 12 1 1 A 76 76 ALA HA H 76 4.092 4.100 -0.008 1
1 893 . 12 1 1 A 76 76 ALA CB C 76 19.324 18.969 0.355 1
1 897 . 12 1 1 A 76 76 ALA C C 76 180.373 180.075 0.298 1
1 898 . 12 1 1 A 77 77 GLU N N 77 120.309 118.464 1.845 1
1 899 . 12 1 1 A 77 77 GLU H H 77 8.257 7.897 0.360 1
1 900 . 12 1 1 A 77 77 GLU CA C 77 59.818 58.582 1.236 1
1 901 . 12 1 1 A 77 77 GLU HA H 77 3.982 4.209 -0.227 1
1 902 . 12 1 1 A 77 77 GLU CB C 77 30.530 29.838 0.692 1
1 908 . 12 1 1 A 77 77 GLU C C 77 178.591 178.323 0.268 1
1 909 . 12 1 1 A 78 78 ARG N N 78 119.060 119.574 -0.514 1
1 910 . 12 1 1 A 78 78 ARG H H 78 8.325 8.452 -0.127 1
1 911 . 12 1 1 A 78 78 ARG CA C 78 59.232 58.175 1.057 1
1 912 . 12 1 1 A 78 78 ARG HA H 78 4.048 4.204 -0.156 1
1 913 . 12 1 1 A 78 78 ARG CB C 78 31.462 30.468 0.994 1
1 924 . 12 1 1 A 78 78 ARG C C 78 178.327 177.423 0.904 1
1 925 . 12 1 1 A 79 79 GLU N N 79 114.012 117.136 -3.124 1
1 926 . 12 1 1 A 79 79 GLU H H 79 8.878 8.257 0.621 1
1 927 . 12 1 1 A 79 79 GLU CA C 79 56.599 57.722 -1.123 1
1 928 . 12 1 1 A 79 79 GLU HA H 79 4.329 4.358 -0.029 1
1 929 . 12 1 1 A 79 79 GLU CB C 79 28.771 30.649 -1.878 1
1 935 . 12 1 1 A 79 79 GLU C C 79 178.301 178.064 0.237 1
1 936 . 12 1 1 A 80 80 PHE N N 80 113.394 117.089 -3.695 1
1 937 . 12 1 1 A 80 80 PHE H H 80 6.906 7.037 -0.131 1
1 938 . 12 1 1 A 80 80 PHE CA C 80 53.518 58.003 -4.485 1
1 939 . 12 1 1 A 80 80 PHE HA H 80 5.246 4.551 0.695 1
1 940 . 12 1 1 A 80 80 PHE CB C 80 39.910 39.244 0.666 1
1 953 . 12 1 1 A 80 80 PHE C C 80 176.487 176.191 0.296 1
1 954 . 12 1 1 A 81 81 GLY N N 81 108.698 109.080 -0.382 1
1 955 . 12 1 1 A 81 81 GLY H H 81 7.352 8.177 -0.825 1
1 956 . 12 1 1 A 81 81 GLY CA C 81 46.520 46.742 -0.222 1
1 957 . 12 1 1 A 81 81 GLY HA2 H 81 3.975 4.000 -0.025 1
1 958 . 12 1 1 A 81 81 GLY HA3 H 81 3.975 4.006 -0.031 1
1 959 . 12 1 1 A 81 81 GLY C C 81 174.711 174.596 0.115 1
1 960 . 12 1 1 A 82 82 ILE N N 82 122.486 122.368 0.118 1
1 961 . 12 1 1 A 82 82 ILE H H 82 7.507 8.010 -0.503 1
1 962 . 12 1 1 A 82 82 ILE CA C 82 58.810 58.132 0.678 1
1 963 . 12 1 1 A 82 82 ILE HA H 82 4.285 4.369 -0.084 1
1 964 . 12 1 1 A 82 82 ILE CB C 82 39.376 39.154 0.222 1
1 977 . 12 1 1 A 82 82 ILE C C 82 172.836 174.885 -2.049 1
1 978 . 12 1 1 A 83 83 PRO CA C 83 60.989 62.033 -1.044 1
1 979 . 12 1 1 A 83 83 PRO HA H 83 4.589 4.718 -0.129 1
1 980 . 12 1 1 A 83 83 PRO CB C 83 31.107 32.357 -1.250 1
1 989 . 12 1 1 A 84 84 PRO CA C 84 62.860 62.531 0.329 1
1 990 . 12 1 1 A 84 84 PRO HA H 84 4.405 4.478 -0.073 1
1 991 . 12 1 1 A 84 84 PRO CB C 84 32.638 32.044 0.594 1
1 1000 . 12 1 1 A 84 84 PRO C C 84 177.894 177.348 0.546 1
1 1001 . 12 1 1 A 85 85 VAL N N 85 114.062 116.943 -2.881 1
1 1002 . 12 1 1 A 85 85 VAL H H 85 6.621 7.880 -1.259 1
1 1003 . 12 1 1 A 85 85 VAL CA C 85 61.000 63.668 -2.668 1
1 1004 . 12 1 1 A 85 85 VAL HA H 85 4.080 3.930 0.150 1
1 1005 . 12 1 1 A 85 85 VAL CB C 85 32.725 32.125 0.600 1
1 1015 . 12 1 1 A 85 85 VAL C C 85 174.315 175.650 -1.335 1
1 1016 . 12 1 1 A 86 86 THR N N 86 114.774 114.500 0.274 1
1 1017 . 12 1 1 A 86 86 THR H H 86 6.827 7.233 -0.406 1
1 1018 . 12 1 1 A 86 86 THR CA C 86 59.336 59.459 -0.123 1
1 1019 . 12 1 1 A 86 86 THR HA H 86 4.442 4.694 -0.252 1
1 1020 . 12 1 1 A 86 86 THR CB C 86 68.016 71.565 -3.549 1
1 1026 . 12 1 1 A 86 86 THR C C 86 172.724 172.294 0.430 1
1 1027 . 12 1 1 A 87 87 THR N N 87 109.655 116.326 -6.671 1
1 1028 . 12 1 1 A 87 87 THR H H 87 8.313 8.624 -0.311 1
1 1029 . 12 1 1 A 87 87 THR CA C 87 59.870 60.321 -0.451 1
1 1030 . 12 1 1 A 87 87 THR HA H 87 5.000 4.677 0.323 1
1 1031 . 12 1 1 A 87 87 THR CB C 87 72.527 70.220 2.307 1
1 1037 . 12 1 1 A 87 87 THR C C 87 176.440 175.734 0.706 1
1 1038 . 12 1 1 A 88 88 GLY N N 88 110.531 110.954 -0.423 1
1 1039 . 12 1 1 A 88 88 GLY H H 88 9.655 9.053 0.602 1
1 1040 . 12 1 1 A 88 88 GLY CA C 88 49.124 47.680 1.444 1
1 1041 . 12 1 1 A 88 88 GLY HA2 H 88 4.115 3.988 0.127 1
1 1042 . 12 1 1 A 88 88 GLY HA3 H 88 3.755 4.115 -0.360 1
1 1043 . 12 1 1 A 88 88 GLY C C 88 175.154 175.882 -0.728 1
1 1044 . 12 1 1 A 89 89 LYS N N 89 119.606 121.717 -2.111 1
1 1045 . 12 1 1 A 89 89 LYS H H 89 8.542 8.344 0.198 1
1 1046 . 12 1 1 A 89 89 LYS CA C 89 59.687 59.312 0.375 1
1 1047 . 12 1 1 A 89 89 LYS HA H 89 4.030 3.974 0.056 1
1 1048 . 12 1 1 A 89 89 LYS CB C 89 32.733 32.464 0.269 1
1 1060 . 12 1 1 A 89 89 LYS C C 89 178.921 178.964 -0.043 1
1 1061 . 12 1 1 A 90 90 GLU N N 90 118.992 118.610 0.382 1
1 1062 . 12 1 1 A 90 90 GLU H H 90 7.610 8.007 -0.397 1
1 1063 . 12 1 1 A 90 90 GLU CA C 90 59.238 59.639 -0.401 1
1 1064 . 12 1 1 A 90 90 GLU HA H 90 4.008 4.029 -0.021 1
1 1065 . 12 1 1 A 90 90 GLU CB C 90 29.946 28.745 1.201 1
1 1071 . 12 1 1 A 90 90 GLU C C 90 179.366 178.801 0.565 1
1 1072 . 12 1 1 A 91 91 MET N N 91 120.109 119.102 1.007 1
1 1073 . 12 1 1 A 91 91 MET H H 91 8.468 8.370 0.098 1
1 1074 . 12 1 1 A 91 91 MET CA C 91 57.606 58.506 -0.900 1
1 1075 . 12 1 1 A 91 91 MET HA H 91 4.355 4.079 0.276 1
1 1076 . 12 1 1 A 91 91 MET CB C 91 32.364 32.373 -0.009 1
1 1086 . 12 1 1 A 91 91 MET C C 91 177.168 178.101 -0.933 1
1 1087 . 12 1 1 A 92 92 ALA N N 92 115.912 121.594 -5.682 1
1 1088 . 12 1 1 A 92 92 ALA H H 92 7.876 7.777 0.099 1
1 1089 . 12 1 1 A 92 92 ALA CA C 92 53.278 54.687 -1.409 1
1 1090 . 12 1 1 A 92 92 ALA HA H 92 4.316 4.303 0.013 1
1 1091 . 12 1 1 A 92 92 ALA CB C 92 20.275 18.701 1.574 1
1 1095 . 12 1 1 A 92 92 ALA C C 92 178.672 179.345 -0.673 1
1 1096 . 12 1 1 A 93 93 SER N N 93 111.760 113.432 -1.672 1
1 1097 . 12 1 1 A 93 93 SER H H 93 7.431 8.081 -0.650 1
1 1098 . 12 1 1 A 93 93 SER CA C 93 58.584 62.306 -3.722 1
1 1099 . 12 1 1 A 93 93 SER HA H 93 4.471 4.163 0.308 1
1 1100 . 12 1 1 A 93 93 SER CB C 93 64.582 62.870 1.712 1
1 1103 . 12 1 1 A 93 93 SER C C 93 173.576 175.865 -2.289 1
1 1104 . 12 1 1 A 94 94 ALA N N 94 123.381 121.461 1.920 1
1 1105 . 12 1 1 A 94 94 ALA H H 94 7.903 7.676 0.227 1
1 1106 . 12 1 1 A 94 94 ALA CA C 94 52.760 53.469 -0.709 1
1 1107 . 12 1 1 A 94 94 ALA HA H 94 4.267 4.114 0.153 1
1 1108 . 12 1 1 A 94 94 ALA CB C 94 18.364 19.631 -1.267 1
1 1112 . 12 1 1 A 94 94 ALA C C 94 177.611 178.986 -1.375 1
1 1113 . 12 1 1 A 95 95 GLN N N 95 120.874 122.909 -2.035 1
1 1114 . 12 1 1 A 95 95 GLN H H 95 8.305 8.751 -0.446 1
1 1115 . 12 1 1 A 95 95 GLN CA C 95 56.821 58.849 -2.028 1
1 1116 . 12 1 1 A 95 95 GLN HA H 95 4.185 4.164 0.021 1
1 1117 . 12 1 1 A 95 95 GLN CB C 95 29.052 28.037 1.015 1
1 1126 . 12 1 1 A 95 95 GLN C C 95 175.975 175.590 0.385 1
1 1127 . 12 1 1 A 96 96 GLU N N 96 120.251 119.497 0.754 1
1 1128 . 12 1 1 A 96 96 GLU H H 96 8.402 8.003 0.399 1
1 1129 . 12 1 1 A 96 96 GLU CA C 96 54.378 53.173 1.205 1
1 1130 . 12 1 1 A 96 96 GLU HA H 96 4.537 4.730 -0.193 1
1 1131 . 12 1 1 A 96 96 GLU CB C 96 30.216 31.887 -1.671 1
1 1137 . 12 1 1 A 96 96 GLU C C 96 173.618 174.111 -0.493 1
1 1138 . 12 1 1 A 97 97 PRO CA C 97 62.763 62.287 0.476 1
1 1139 . 12 1 1 A 97 97 PRO HA H 97 4.362 4.649 -0.287 1
1 1140 . 12 1 1 A 97 97 PRO CB C 97 32.356 33.038 -0.682 1
1 1149 . 12 1 1 A 97 97 PRO C C 97 174.841 175.479 -0.638 1
1 1150 . 12 1 1 A 98 98 ASP N N 98 120.272 121.152 -0.880 1
1 1151 . 12 1 1 A 98 98 ASP H H 98 8.396 8.691 -0.295 1
1 1152 . 12 1 1 A 98 98 ASP CA C 98 54.555 53.795 0.760 1
1 1153 . 12 1 1 A 98 98 ASP HA H 98 4.409 4.638 -0.229 1
1 1154 . 12 1 1 A 98 98 ASP CB C 98 42.248 40.230 2.018 1
1 1157 . 12 1 1 A 98 98 ASP C C 98 176.253 176.873 -0.620 1
1 1158 . 12 1 1 A 99 99 LYS N N 99 126.808 126.829 -0.021 1
1 1159 . 12 1 1 A 99 99 LYS H H 99 8.454 8.622 -0.168 1
1 1160 . 12 1 1 A 99 99 LYS CA C 99 60.158 60.242 -0.084 1
1 1161 . 12 1 1 A 99 99 LYS HA H 99 3.705 3.882 -0.177 1
1 1162 . 12 1 1 A 99 99 LYS CB C 99 32.832 32.436 0.396 1
1 1174 . 12 1 1 A 99 99 LYS C C 99 177.621 178.242 -0.621 1
1 1175 . 12 1 1 A 100 100 LEU N N 100 118.450 120.475 -2.025 1
1 1176 . 12 1 1 A 100 100 LEU H H 100 8.160 7.969 0.191 1
1 1177 . 12 1 1 A 100 100 LEU CA C 100 58.094 57.806 0.288 1
1 1178 . 12 1 1 A 100 100 LEU HA H 100 4.020 3.888 0.132 1
1 1179 . 12 1 1 A 100 100 LEU CB C 100 40.800 41.772 -0.972 1
1 1192 . 12 1 1 A 100 100 LEU C C 100 179.776 178.801 0.975 1
1 1193 . 12 1 1 A 101 101 SER N N 101 115.644 113.310 2.334 1
1 1194 . 12 1 1 A 101 101 SER H H 101 8.047 8.291 -0.244 1
1 1195 . 12 1 1 A 101 101 SER CA C 101 61.765 61.578 0.187 1
1 1196 . 12 1 1 A 101 101 SER HA H 101 4.174 4.081 0.093 1
1 1197 . 12 1 1 A 101 101 SER CB C 101 62.609 63.000 -0.391 1
1 1200 . 12 1 1 A 101 101 SER C C 101 176.476 176.770 -0.294 1
1 1201 . 12 1 1 A 102 102 MET N N 102 120.653 119.602 1.051 1
1 1202 . 12 1 1 A 102 102 MET H H 102 8.027 8.093 -0.066 1
1 1203 . 12 1 1 A 102 102 MET CA C 102 56.380 58.366 -1.986 1
1 1204 . 12 1 1 A 102 102 MET HA H 102 4.508 4.194 0.314 1
1 1205 . 12 1 1 A 102 102 MET CB C 102 30.731 33.134 -2.403 1
1 1215 . 12 1 1 A 102 102 MET C C 102 178.903 178.508 0.395 1
1 1216 . 12 1 1 A 103 103 VAL N N 103 119.836 119.694 0.142 1
1 1217 . 12 1 1 A 103 103 VAL H H 103 8.556 8.222 0.334 1
1 1218 . 12 1 1 A 103 103 VAL CA C 103 67.049 66.691 0.358 1
1 1219 . 12 1 1 A 103 103 VAL HA H 103 3.370 3.535 -0.165 1
1 1220 . 12 1 1 A 103 103 VAL CB C 103 31.583 31.479 0.104 1
1 1230 . 12 1 1 A 103 103 VAL C C 103 179.225 177.792 1.433 1
1 1231 . 12 1 1 A 104 104 MET N N 104 120.390 118.767 1.623 1
1 1232 . 12 1 1 A 104 104 MET H H 104 8.112 8.814 -0.702 1
1 1233 . 12 1 1 A 104 104 MET CA C 104 58.991 58.398 0.593 1
1 1234 . 12 1 1 A 104 104 MET HA H 104 4.047 4.264 -0.217 1
1 1235 . 12 1 1 A 104 104 MET CB C 104 31.979 32.399 -0.420 1
1 1245 . 12 1 1 A 104 104 MET C C 104 178.210 178.099 0.111 1
1 1246 . 12 1 1 A 105 105 TYR N N 105 120.956 122.088 -1.132 1
1 1247 . 12 1 1 A 105 105 TYR H H 105 8.185 7.708 0.477 1
1 1248 . 12 1 1 A 105 105 TYR CA C 105 61.449 61.423 0.026 1
1 1249 . 12 1 1 A 105 105 TYR HA H 105 4.317 4.167 0.150 1
1 1250 . 12 1 1 A 105 105 TYR CB C 105 40.259 38.484 1.775 1
1 1261 . 12 1 1 A 105 105 TYR C C 105 177.805 177.524 0.281 1
1 1262 . 12 1 1 A 106 106 LEU N N 106 116.468 120.801 -4.333 1
1 1263 . 12 1 1 A 106 106 LEU H H 106 9.088 8.740 0.348 1
1 1264 . 12 1 1 A 106 106 LEU CA C 106 57.744 58.125 -0.381 1
1 1265 . 12 1 1 A 106 106 LEU HA H 106 4.139 4.065 0.074 1
1 1266 . 12 1 1 A 106 106 LEU CB C 106 42.285 41.873 0.412 1
1 1279 . 12 1 1 A 106 106 LEU C C 106 180.758 179.040 1.718 1
1 1280 . 12 1 1 A 107 107 SER N N 107 114.570 112.881 1.689 1
1 1281 . 12 1 1 A 107 107 SER H H 107 8.338 8.779 -0.441 1
1 1282 . 12 1 1 A 107 107 SER CA C 107 63.030 61.606 1.424 1
1 1283 . 12 1 1 A 107 107 SER HA H 107 4.016 4.161 -0.145 1
1 1284 . 12 1 1 A 107 107 SER CB C 107 62.866 62.673 0.193 1
1 1287 . 12 1 1 A 107 107 SER C C 107 175.377 176.989 -1.612 1
1 1288 . 12 1 1 A 108 108 LYS N N 108 120.221 120.584 -0.363 1
1 1289 . 12 1 1 A 108 108 LYS H H 108 7.522 7.871 -0.349 1
1 1290 . 12 1 1 A 108 108 LYS CA C 108 58.870 58.870 0.000 1
1 1291 . 12 1 1 A 108 108 LYS HA H 108 3.910 3.797 0.113 1
1 1292 . 12 1 1 A 108 108 LYS CB C 108 31.719 31.912 -0.193 1
1 1304 . 12 1 1 A 108 108 LYS C C 108 179.587 179.319 0.268 1
1 1305 . 12 1 1 A 109 109 PHE N N 109 118.900 119.816 -0.916 1
1 1306 . 12 1 1 A 109 109 PHE H H 109 7.282 8.094 -0.812 1
1 1307 . 12 1 1 A 109 109 PHE CA C 109 61.501 60.638 0.863 1
1 1308 . 12 1 1 A 109 109 PHE HA H 109 3.550 4.022 -0.472 1
1 1309 . 12 1 1 A 109 109 PHE CB C 109 38.201 38.536 -0.335 1
1 1322 . 12 1 1 A 109 109 PHE C C 109 176.181 177.929 -1.748 1
1 1323 . 12 1 1 A 110 110 TYR N N 110 120.089 119.529 0.560 1
1 1324 . 12 1 1 A 110 110 TYR H H 110 7.417 8.169 -0.752 1
1 1325 . 12 1 1 A 110 110 TYR CA C 110 60.263 61.692 -1.429 1
1 1326 . 12 1 1 A 110 110 TYR HA H 110 2.584 3.311 -0.727 1
1 1327 . 12 1 1 A 110 110 TYR CB C 110 38.138 38.267 -0.129 1
1 1338 . 12 1 1 A 110 110 TYR C C 110 176.298 176.858 -0.560 1
1 1339 . 12 1 1 A 111 111 GLU N N 111 115.750 118.666 -2.916 1
1 1340 . 12 1 1 A 111 111 GLU H H 111 7.899 8.251 -0.352 1
1 1341 . 12 1 1 A 111 111 GLU CA C 111 58.712 59.051 -0.339 1
1 1342 . 12 1 1 A 111 111 GLU HA H 111 3.528 3.593 -0.065 1
1 1343 . 12 1 1 A 111 111 GLU CB C 111 29.429 29.322 0.107 1
1 1349 . 12 1 1 A 111 111 GLU C C 111 178.367 178.796 -0.429 1
1 1350 . 12 1 1 A 112 112 LEU N N 112 118.646 121.876 -3.230 1
1 1351 . 12 1 1 A 112 112 LEU H H 112 6.922 7.588 -0.666 1
1 1352 . 12 1 1 A 112 112 LEU CA C 112 57.107 58.063 -0.956 1
1 1353 . 12 1 1 A 112 112 LEU HA H 112 3.775 3.761 0.014 1
1 1354 . 12 1 1 A 112 112 LEU CB C 112 42.499 41.298 1.201 1
1 1367 . 12 1 1 A 112 112 LEU C C 112 178.820 178.022 0.798 1
1 1368 . 12 1 1 A 113 113 PHE N N 113 114.884 117.355 -2.471 1
1 1369 . 12 1 1 A 113 113 PHE H H 113 7.723 8.170 -0.447 1
1 1370 . 12 1 1 A 113 113 PHE CA C 113 57.108 60.775 -3.667 1
1 1371 . 12 1 1 A 113 113 PHE HA H 113 4.495 4.082 0.413 1
1 1372 . 12 1 1 A 113 113 PHE CB C 113 38.324 38.639 -0.315 1
1 1385 . 12 1 1 A 113 113 PHE C C 113 177.445 177.924 -0.479 1
1 1386 . 12 1 1 A 114 114 ARG N N 114 119.913 120.043 -0.130 1
1 1387 . 12 1 1 A 114 114 ARG H H 114 7.840 8.223 -0.383 1
1 1388 . 12 1 1 A 114 114 ARG CA C 114 57.747 58.933 -1.186 1
1 1389 . 12 1 1 A 114 114 ARG HA H 114 4.164 4.010 0.154 1
1 1390 . 12 1 1 A 114 114 ARG CB C 114 28.994 29.670 -0.676 1
1 1399 . 12 1 1 A 114 114 ARG C C 114 177.051 176.526 0.525 1
1 1400 . 12 1 1 A 115 115 GLY N N 115 108.376 106.386 1.990 1
1 1401 . 12 1 1 A 115 115 GLY H H 115 8.070 7.299 0.771 1
1 1402 . 12 1 1 A 115 115 GLY CA C 115 45.201 45.542 -0.341 1
1 1403 . 12 1 1 A 115 115 GLY HA2 H 115 3.873 4.069 -0.196 1
1 1404 . 12 1 1 A 115 115 GLY HA3 H 115 3.988 4.070 -0.082 1
1 1405 . 12 1 1 A 115 115 GLY C C 115 173.987 173.990 -0.003 1
1 1406 . 12 1 1 A 116 116 THR N N 116 116.618 118.403 -1.785 1
1 1407 . 12 1 1 A 116 116 THR H H 116 7.858 7.957 -0.099 1
1 1408 . 12 1 1 A 116 116 THR CA C 116 60.032 60.136 -0.104 1
1 1409 . 12 1 1 A 116 116 THR HA H 116 4.620 4.219 0.401 1
1 1410 . 12 1 1 A 116 116 THR CB C 116 70.082 69.535 0.547 1
1 1416 . 12 1 1 A 116 116 THR C C 116 172.615 173.084 -0.469 1
1 1417 . 12 1 1 A 117 117 PRO CA C 117 63.086 62.309 0.777 1
1 1418 . 12 1 1 A 117 117 PRO HA H 117 4.451 4.566 -0.115 1
1 1419 . 12 1 1 A 117 117 PRO CB C 117 32.220 32.351 -0.131 1
1 1428 . 12 1 1 A 117 117 PRO C C 117 176.812 176.275 0.537 1
1 1429 . 12 1 1 A 118 118 LEU N N 118 122.695 122.503 0.192 1
1 1430 . 12 1 1 A 118 118 LEU H H 118 8.424 8.390 0.034 1
1 1431 . 12 1 1 A 118 118 LEU CA C 118 55.266 54.690 0.576 1
1 1432 . 12 1 1 A 118 118 LEU HA H 118 4.276 4.345 -0.069 1
1 1433 . 12 1 1 A 118 118 LEU CB C 118 42.339 42.332 0.007 1
1 1446 . 12 1 1 A 118 118 LEU C C 118 177.027 177.451 -0.424 1
1 1447 . 12 1 1 A 119 119 ARG N N 119 122.979 122.202 0.777 1
1 1448 . 12 1 1 A 119 119 ARG H H 119 8.250 8.451 -0.201 1
1 1449 . 12 1 1 A 119 119 ARG CA C 119 53.688 54.915 -1.227 1
1 1450 . 12 1 1 A 119 119 ARG HA H 119 4.644 4.367 0.277 1
1 1451 . 12 1 1 A 119 119 ARG CB C 119 30.469 29.739 0.730 1
1 1460 . 12 1 1 A 119 119 ARG C C 119 174.019 174.395 -0.376 1
1 1461 . 12 1 1 A 120 120 PRO CA C 120 63.366 62.652 0.714 1
1 1462 . 12 1 1 A 120 120 PRO HA H 120 4.440 4.754 -0.314 1
1 1463 . 12 1 1 A 120 120 PRO CB C 120 31.958 32.952 -0.994 1
1 1472 . 12 1 1 A 120 120 PRO C C 120 176.104 175.747 0.357 1
1 1 . 13 1 1 A 6 6 SER CA C 6 58.867 60.497 -1.630 1
1 2 . 13 1 1 A 6 6 SER HA H 6 4.432 4.220 0.212 1
1 3 . 13 1 1 A 6 6 SER CB C 6 63.603 63.684 -0.081 1
1 6 . 13 1 1 A 6 6 SER C C 6 175.018 174.723 0.295 1
1 7 . 13 1 1 A 7 7 GLY N N 7 110.530 112.614 -2.084 1
1 8 . 13 1 1 A 7 7 GLY H H 7 8.382 8.465 -0.083 1
1 9 . 13 1 1 A 7 7 GLY CA C 7 45.311 45.367 -0.056 1
1 10 . 13 1 1 A 7 7 GLY HA2 H 7 3.922 4.357 -0.435 1
1 11 . 13 1 1 A 7 7 GLY HA3 H 7 3.922 4.359 -0.437 1
1 12 . 13 1 1 A 7 7 GLY C C 7 173.740 172.038 1.702 1
1 13 . 13 1 1 A 8 8 ASP N N 8 120.471 117.667 2.804 1
1 14 . 13 1 1 A 8 8 ASP H H 8 8.121 8.933 -0.812 1
1 15 . 13 1 1 A 8 8 ASP CA C 8 54.214 52.097 2.117 1
1 16 . 13 1 1 A 8 8 ASP HA H 8 4.560 5.331 -0.771 1
1 17 . 13 1 1 A 8 8 ASP CB C 8 41.172 44.623 -3.451 1
1 20 . 13 1 1 A 8 8 ASP C C 8 176.082 175.178 0.904 1
1 21 . 13 1 1 A 9 9 ILE N N 9 121.785 121.229 0.556 1
1 22 . 13 1 1 A 9 9 ILE H H 9 8.115 8.775 -0.660 1
1 23 . 13 1 1 A 9 9 ILE CA C 9 60.327 60.991 -0.664 1
1 24 . 13 1 1 A 9 9 ILE HA H 9 4.083 4.319 -0.236 1
1 25 . 13 1 1 A 9 9 ILE CB C 9 38.394 38.194 0.200 1
1 38 . 13 1 1 A 9 9 ILE C C 9 175.579 176.038 -0.459 1
1 39 . 13 1 1 A 10 10 ARG N N 10 125.977 125.150 0.827 1
1 40 . 13 1 1 A 10 10 ARG H H 10 8.319 8.929 -0.610 1
1 41 . 13 1 1 A 10 10 ARG CA C 10 54.661 60.651 -5.990 1
1 42 . 13 1 1 A 10 10 ARG HA H 10 4.493 4.086 0.407 1
1 43 . 13 1 1 A 10 10 ARG CB C 10 29.730 29.883 -0.153 1
1 52 . 13 1 1 A 10 10 ARG C C 10 175.511 176.306 -0.795 1
1 53 . 13 1 1 A 11 11 PRO CA C 11 65.595 66.528 -0.933 1
1 54 . 13 1 1 A 11 11 PRO HA H 11 4.064 4.230 -0.166 1
1 55 . 13 1 1 A 11 11 PRO CB C 11 31.690 30.794 0.896 1
1 64 . 13 1 1 A 12 12 SER CA C 12 60.656 61.798 -1.142 1
1 65 . 13 1 1 A 12 12 SER HA H 12 4.194 4.132 0.062 1
1 66 . 13 1 1 A 12 12 SER CB C 12 62.321 63.087 -0.766 1
1 69 . 13 1 1 A 13 13 LYS H H 13 7.510 8.197 -0.687 1
1 70 . 13 1 1 A 13 13 LYS CA C 13 58.585 59.458 -0.873 1
1 71 . 13 1 1 A 13 13 LYS HA H 13 4.186 4.025 0.161 1
1 72 . 13 1 1 A 13 13 LYS CB C 13 32.274 32.537 -0.263 1
1 84 . 13 1 1 A 13 13 LYS C C 13 179.028 178.709 0.319 1
1 85 . 13 1 1 A 14 14 LEU N N 14 121.315 121.847 -0.532 1
1 86 . 13 1 1 A 14 14 LEU H H 14 7.968 7.910 0.058 1
1 87 . 13 1 1 A 14 14 LEU CA C 14 57.648 58.270 -0.622 1
1 88 . 13 1 1 A 14 14 LEU HA H 14 3.889 3.730 0.159 1
1 89 . 13 1 1 A 14 14 LEU CB C 14 42.171 41.617 0.554 1
1 102 . 13 1 1 A 14 14 LEU C C 14 178.689 178.556 0.133 1
1 103 . 13 1 1 A 15 15 LEU N N 15 120.526 119.903 0.623 1
1 104 . 13 1 1 A 15 15 LEU H H 15 8.546 8.438 0.108 1
1 105 . 13 1 1 A 15 15 LEU CA C 15 59.227 58.529 0.698 1
1 106 . 13 1 1 A 15 15 LEU HA H 15 4.038 4.177 -0.139 1
1 107 . 13 1 1 A 15 15 LEU CB C 15 40.993 41.708 -0.715 1
1 120 . 13 1 1 A 15 15 LEU C C 15 178.020 178.783 -0.763 1
1 121 . 13 1 1 A 16 16 THR N N 16 114.667 114.006 0.661 1
1 122 . 13 1 1 A 16 16 THR H H 16 7.945 7.762 0.183 1
1 123 . 13 1 1 A 16 16 THR CA C 16 66.778 66.751 0.027 1
1 124 . 13 1 1 A 16 16 THR HA H 16 4.162 3.952 0.210 1
1 125 . 13 1 1 A 16 16 THR CB C 16 68.914 68.623 0.291 1
1 131 . 13 1 1 A 16 16 THR C C 16 176.419 176.453 -0.034 1
1 132 . 13 1 1 A 17 17 TRP N N 17 122.548 121.195 1.353 1
1 133 . 13 1 1 A 17 17 TRP H H 17 8.242 8.406 -0.164 1
1 134 . 13 1 1 A 17 17 TRP CA C 17 63.006 61.316 1.690 1
1 135 . 13 1 1 A 17 17 TRP HA H 17 4.442 4.293 0.149 1
1 136 . 13 1 1 A 17 17 TRP CB C 17 28.530 29.784 -1.254 1
1 151 . 13 1 1 A 17 17 TRP C C 17 178.678 178.772 -0.094 1
1 152 . 13 1 1 A 18 18 CYS N N 18 117.202 117.387 -0.185 1
1 153 . 13 1 1 A 18 18 CYS H H 18 8.993 8.552 0.441 1
1 154 . 13 1 1 A 18 18 CYS CA C 18 64.830 63.770 1.060 1
1 155 . 13 1 1 A 18 18 CYS HA H 18 3.855 4.083 -0.228 1
1 156 . 13 1 1 A 18 18 CYS CB C 18 27.945 27.000 0.945 1
1 159 . 13 1 1 A 18 18 CYS C C 18 178.411 177.104 1.307 1
1 160 . 13 1 1 A 19 19 GLN N N 19 120.296 119.487 0.809 1
1 161 . 13 1 1 A 19 19 GLN H H 19 8.696 8.417 0.279 1
1 162 . 13 1 1 A 19 19 GLN CA C 19 59.705 59.002 0.703 1
1 163 . 13 1 1 A 19 19 GLN HA H 19 3.654 3.986 -0.332 1
1 164 . 13 1 1 A 19 19 GLN CB C 19 27.820 28.534 -0.714 1
1 173 . 13 1 1 A 19 19 GLN C C 19 177.957 178.678 -0.721 1
1 174 . 13 1 1 A 20 20 GLN N N 20 119.247 119.041 0.206 1
1 175 . 13 1 1 A 20 20 GLN H H 20 8.306 7.937 0.369 1
1 176 . 13 1 1 A 20 20 GLN CA C 20 58.838 58.765 0.073 1
1 177 . 13 1 1 A 20 20 GLN HA H 20 4.016 3.941 0.075 1
1 178 . 13 1 1 A 20 20 GLN CB C 20 28.000 28.449 -0.449 1
1 187 . 13 1 1 A 20 20 GLN C C 20 179.476 178.459 1.017 1
1 188 . 13 1 1 A 21 21 GLN N N 21 113.337 118.971 -5.634 1
1 189 . 13 1 1 A 21 21 GLN H H 21 7.999 7.673 0.326 1
1 190 . 13 1 1 A 21 21 GLN CA C 21 55.909 58.919 -3.010 1
1 191 . 13 1 1 A 21 21 GLN HA H 21 4.043 3.754 0.289 1
1 192 . 13 1 1 A 21 21 GLN CB C 21 27.676 28.011 -0.335 1
1 201 . 13 1 1 A 21 21 GLN C C 21 177.394 178.412 -1.018 1
1 202 . 13 1 1 A 22 22 THR N N 22 103.485 111.515 -8.030 1
1 203 . 13 1 1 A 22 22 THR H H 22 7.119 7.699 -0.580 1
1 204 . 13 1 1 A 22 22 THR CA C 22 61.272 65.762 -4.490 1
1 205 . 13 1 1 A 22 22 THR HA H 22 4.092 3.816 0.276 1
1 206 . 13 1 1 A 22 22 THR CB C 22 69.448 68.106 1.342 1
1 212 . 13 1 1 A 22 22 THR C C 22 174.644 174.871 -0.227 1
1 213 . 13 1 1 A 23 23 GLU N N 23 125.366 122.355 3.011 1
1 214 . 13 1 1 A 23 23 GLU H H 23 6.949 8.048 -1.099 1
1 215 . 13 1 1 A 23 23 GLU CA C 23 58.389 58.551 -0.162 1
1 216 . 13 1 1 A 23 23 GLU HA H 23 3.999 3.911 0.088 1
1 217 . 13 1 1 A 23 23 GLU CB C 23 29.683 29.531 0.152 1
1 223 . 13 1 1 A 23 23 GLU C C 23 177.061 177.304 -0.243 1
1 224 . 13 1 1 A 24 24 GLY N N 24 112.717 115.205 -2.488 1
1 225 . 13 1 1 A 24 24 GLY H H 24 8.732 8.952 -0.220 1
1 226 . 13 1 1 A 24 24 GLY CA C 24 45.326 45.031 0.295 1
1 227 . 13 1 1 A 24 24 GLY HA2 H 24 3.988 3.900 0.088 1
1 228 . 13 1 1 A 24 24 GLY HA3 H 24 3.538 3.913 -0.375 1
1 229 . 13 1 1 A 24 24 GLY C C 24 174.531 173.957 0.574 1
1 230 . 13 1 1 A 25 25 TYR N N 25 120.189 119.670 0.519 1
1 231 . 13 1 1 A 25 25 TYR H H 25 7.488 7.681 -0.193 1
1 232 . 13 1 1 A 25 25 TYR CA C 25 59.028 57.972 1.056 1
1 233 . 13 1 1 A 25 25 TYR HA H 25 3.947 4.280 -0.333 1
1 234 . 13 1 1 A 25 25 TYR CB C 25 37.202 38.656 -1.454 1
1 245 . 13 1 1 A 25 25 TYR C C 25 176.354 175.441 0.913 1
1 246 . 13 1 1 A 26 26 GLN N N 26 125.301 120.012 5.289 1
1 247 . 13 1 1 A 26 26 GLN H H 26 8.877 8.155 0.722 1
1 248 . 13 1 1 A 26 26 GLN CA C 26 56.923 54.897 2.026 1
1 249 . 13 1 1 A 26 26 GLN HA H 26 3.866 4.556 -0.690 1
1 250 . 13 1 1 A 26 26 GLN CB C 26 28.808 29.749 -0.941 1
1 259 . 13 1 1 A 26 26 GLN C C 26 175.582 175.341 0.241 1
1 260 . 13 1 1 A 27 27 HIS N N 27 111.738 115.282 -3.544 1
1 261 . 13 1 1 A 27 27 HIS H H 27 8.581 8.375 0.206 1
1 262 . 13 1 1 A 27 27 HIS CA C 27 56.937 56.819 0.118 1
1 263 . 13 1 1 A 27 27 HIS HA H 27 4.174 4.060 0.114 1
1 264 . 13 1 1 A 27 27 HIS CB C 27 26.839 26.863 -0.024 1
1 271 . 13 1 1 A 27 27 HIS C C 27 172.979 174.031 -1.052 1
1 272 . 13 1 1 A 28 28 VAL N N 28 118.229 118.509 -0.280 1
1 273 . 13 1 1 A 28 28 VAL H H 28 7.377 7.547 -0.170 1
1 274 . 13 1 1 A 28 28 VAL CA C 28 61.927 61.574 0.353 1
1 275 . 13 1 1 A 28 28 VAL HA H 28 3.922 4.222 -0.300 1
1 276 . 13 1 1 A 28 28 VAL CB C 28 33.373 32.924 0.449 1
1 286 . 13 1 1 A 28 28 VAL C C 28 174.687 173.482 1.205 1
1 287 . 13 1 1 A 29 29 ASN N N 29 125.832 127.842 -2.010 1
1 288 . 13 1 1 A 29 29 ASN H H 29 8.604 9.044 -0.440 1
1 289 . 13 1 1 A 29 29 ASN CA C 29 52.651 51.777 0.874 1
1 290 . 13 1 1 A 29 29 ASN HA H 29 4.682 5.270 -0.588 1
1 291 . 13 1 1 A 29 29 ASN CB C 29 39.124 39.807 -0.683 1
1 297 . 13 1 1 A 29 29 ASN C C 29 173.380 173.846 -0.466 1
1 298 . 13 1 1 A 30 30 VAL N N 30 125.146 126.981 -1.835 1
1 299 . 13 1 1 A 30 30 VAL H H 30 9.203 8.883 0.320 1
1 300 . 13 1 1 A 30 30 VAL CA C 30 63.838 62.222 1.616 1
1 301 . 13 1 1 A 30 30 VAL HA H 30 3.699 4.133 -0.434 1
1 302 . 13 1 1 A 30 30 VAL CB C 30 31.136 31.537 -0.401 1
1 312 . 13 1 1 A 30 30 VAL C C 30 176.046 176.342 -0.296 1
1 313 . 13 1 1 A 31 31 THR N N 31 118.952 117.902 1.050 1
1 314 . 13 1 1 A 31 31 THR H H 31 8.396 8.742 -0.346 1
1 315 . 13 1 1 A 31 31 THR CA C 31 60.985 62.083 -1.098 1
1 316 . 13 1 1 A 31 31 THR HA H 31 4.316 4.604 -0.288 1
1 317 . 13 1 1 A 31 31 THR CB C 31 70.087 70.263 -0.176 1
1 323 . 13 1 1 A 31 31 THR C C 31 173.296 174.645 -1.349 1
1 324 . 13 1 1 A 32 32 ASP N N 32 120.757 120.487 0.270 1
1 325 . 13 1 1 A 32 32 ASP H H 32 8.078 7.746 0.332 1
1 326 . 13 1 1 A 32 32 ASP CA C 32 53.069 52.915 0.154 1
1 327 . 13 1 1 A 32 32 ASP HA H 32 4.536 5.115 -0.579 1
1 328 . 13 1 1 A 32 32 ASP CB C 32 41.527 43.745 -2.218 1
1 331 . 13 1 1 A 32 32 ASP C C 32 174.931 175.616 -0.685 1
1 332 . 13 1 1 A 33 33 LEU N N 33 117.024 119.935 -2.911 1
1 333 . 13 1 1 A 33 33 LEU H H 33 8.733 8.443 0.290 1
1 334 . 13 1 1 A 33 33 LEU CA C 33 54.453 54.671 -0.218 1
1 335 . 13 1 1 A 33 33 LEU HA H 33 4.834 5.133 -0.299 1
1 336 . 13 1 1 A 33 33 LEU CB C 33 41.867 41.924 -0.057 1
1 349 . 13 1 1 A 33 33 LEU C C 33 174.039 177.510 -3.471 1
1 350 . 13 1 1 A 34 34 THR N N 34 103.873 112.219 -8.346 1
1 351 . 13 1 1 A 34 34 THR H H 34 7.900 7.902 -0.002 1
1 352 . 13 1 1 A 34 34 THR CA C 34 60.434 62.804 -2.370 1
1 353 . 13 1 1 A 34 34 THR HA H 34 4.519 4.661 -0.142 1
1 354 . 13 1 1 A 34 34 THR CB C 34 70.237 70.117 0.120 1
1 360 . 13 1 1 A 34 34 THR C C 34 175.954 176.091 -0.137 1
1 361 . 13 1 1 A 35 35 THR N N 35 118.103 113.982 4.121 1
1 362 . 13 1 1 A 35 35 THR H H 35 9.363 8.023 1.340 1
1 363 . 13 1 1 A 35 35 THR CA C 35 66.422 63.609 2.813 1
1 364 . 13 1 1 A 35 35 THR HA H 35 3.981 4.437 -0.456 1
1 365 . 13 1 1 A 35 35 THR CB C 35 68.720 69.450 -0.730 1
1 371 . 13 1 1 A 35 35 THR C C 35 177.778 176.518 1.260 1
1 372 . 13 1 1 A 36 36 SER N N 36 120.417 116.368 4.049 1
1 373 . 13 1 1 A 36 36 SER H H 36 10.544 8.387 2.157 1
1 374 . 13 1 1 A 36 36 SER CA C 36 61.076 62.409 -1.333 1
1 375 . 13 1 1 A 36 36 SER HA H 36 4.395 4.128 0.267 1
1 376 . 13 1 1 A 36 36 SER CB C 36 63.485 63.135 0.350 1
1 379 . 13 1 1 A 36 36 SER C C 36 173.956 175.461 -1.505 1
1 380 . 13 1 1 A 37 37 TRP N N 37 121.387 118.735 2.652 1
1 381 . 13 1 1 A 37 37 TRP H H 37 8.126 8.073 0.053 1
1 382 . 13 1 1 A 37 37 TRP CA C 37 57.689 56.445 1.244 1
1 383 . 13 1 1 A 37 37 TRP HA H 37 4.340 5.067 -0.727 1
1 384 . 13 1 1 A 37 37 TRP CB C 37 28.915 29.190 -0.275 1
1 399 . 13 1 1 A 37 37 TRP C C 37 176.751 176.865 -0.114 1
1 400 . 13 1 1 A 38 38 ARG N N 38 121.787 119.546 2.241 1
1 401 . 13 1 1 A 38 38 ARG H H 38 7.473 8.509 -1.036 1
1 402 . 13 1 1 A 38 38 ARG CA C 38 60.250 58.870 1.380 1
1 403 . 13 1 1 A 38 38 ARG HA H 38 4.065 4.306 -0.241 1
1 404 . 13 1 1 A 38 38 ARG CB C 38 30.807 30.166 0.641 1
1 415 . 13 1 1 A 38 38 ARG C C 38 177.636 178.365 -0.729 1
1 416 . 13 1 1 A 39 39 SER N N 39 110.340 114.317 -3.977 1
1 417 . 13 1 1 A 39 39 SER H H 39 8.665 7.743 0.922 1
1 418 . 13 1 1 A 39 39 SER CA C 39 59.336 59.320 0.016 1
1 419 . 13 1 1 A 39 39 SER HA H 39 4.349 4.470 -0.121 1
1 420 . 13 1 1 A 39 39 SER CB C 39 64.907 64.186 0.721 1
1 423 . 13 1 1 A 39 39 SER C C 39 174.768 174.615 0.153 1
1 424 . 13 1 1 A 40 40 GLY N N 40 109.467 108.991 0.476 1
1 425 . 13 1 1 A 40 40 GLY H H 40 7.549 7.847 -0.298 1
1 426 . 13 1 1 A 40 40 GLY CA C 40 46.347 45.360 0.987 1
1 427 . 13 1 1 A 40 40 GLY HA2 H 40 3.875 3.883 -0.008 1
1 428 . 13 1 1 A 40 40 GLY HA3 H 40 3.915 3.933 -0.018 1
1 429 . 13 1 1 A 40 40 GLY C C 40 173.725 175.993 -2.268 1
1 430 . 13 1 1 A 41 41 LEU N N 41 117.562 121.917 -4.355 1
1 431 . 13 1 1 A 41 41 LEU H H 41 7.287 8.274 -0.987 1
1 432 . 13 1 1 A 41 41 LEU CA C 41 57.482 57.851 -0.369 1
1 433 . 13 1 1 A 41 41 LEU HA H 41 3.882 3.920 -0.038 1
1 434 . 13 1 1 A 41 41 LEU CB C 41 42.615 41.822 0.793 1
1 447 . 13 1 1 A 41 41 LEU C C 41 178.159 178.843 -0.684 1
1 448 . 13 1 1 A 42 42 ALA N N 42 121.758 121.772 -0.014 1
1 449 . 13 1 1 A 42 42 ALA H H 42 8.506 8.104 0.402 1
1 450 . 13 1 1 A 42 42 ALA CA C 42 55.694 55.053 0.641 1
1 451 . 13 1 1 A 42 42 ALA HA H 42 3.582 3.732 -0.150 1
1 452 . 13 1 1 A 42 42 ALA CB C 42 17.039 17.860 -0.821 1
1 456 . 13 1 1 A 42 42 ALA C C 42 178.076 179.460 -1.384 1
1 457 . 13 1 1 A 43 43 LEU N N 43 118.332 119.246 -0.914 1
1 458 . 13 1 1 A 43 43 LEU H H 43 8.933 7.758 1.175 1
1 459 . 13 1 1 A 43 43 LEU CA C 43 57.425 58.100 -0.675 1
1 460 . 13 1 1 A 43 43 LEU HA H 43 4.308 4.294 0.014 1
1 461 . 13 1 1 A 43 43 LEU CB C 43 42.068 42.033 0.035 1
1 474 . 13 1 1 A 43 43 LEU C C 43 179.198 178.422 0.776 1
1 475 . 13 1 1 A 44 44 CYS N N 44 115.098 117.046 -1.948 1
1 476 . 13 1 1 A 44 44 CYS H H 44 7.607 8.219 -0.612 1
1 477 . 13 1 1 A 44 44 CYS CA C 44 65.664 62.486 3.178 1
1 478 . 13 1 1 A 44 44 CYS HA H 44 4.035 4.083 -0.048 1
1 479 . 13 1 1 A 44 44 CYS CB C 44 27.516 26.685 0.831 1
1 482 . 13 1 1 A 44 44 CYS C C 44 176.222 177.630 -1.408 1
1 483 . 13 1 1 A 45 45 ALA N N 45 121.778 122.060 -0.282 1
1 484 . 13 1 1 A 45 45 ALA H H 45 8.435 8.310 0.125 1
1 485 . 13 1 1 A 45 45 ALA CA C 45 55.306 54.828 0.478 1
1 486 . 13 1 1 A 45 45 ALA HA H 45 3.184 3.756 -0.572 1
1 487 . 13 1 1 A 45 45 ALA CB C 45 17.395 17.713 -0.318 1
1 491 . 13 1 1 A 45 45 ALA C C 45 177.510 179.818 -2.308 1
1 492 . 13 1 1 A 46 46 ILE N N 46 116.463 117.957 -1.494 1
1 493 . 13 1 1 A 46 46 ILE H H 46 7.527 7.806 -0.279 1
1 494 . 13 1 1 A 46 46 ILE CA C 46 65.137 64.929 0.208 1
1 495 . 13 1 1 A 46 46 ILE HA H 46 3.267 3.575 -0.308 1
1 496 . 13 1 1 A 46 46 ILE CB C 46 37.084 37.940 -0.856 1
1 509 . 13 1 1 A 46 46 ILE C C 46 176.744 178.462 -1.718 1
1 510 . 13 1 1 A 47 47 ILE N N 47 115.676 120.293 -4.617 1
1 511 . 13 1 1 A 47 47 ILE H H 47 7.786 7.843 -0.057 1
1 512 . 13 1 1 A 47 47 ILE CA C 47 66.948 65.142 1.806 1
1 513 . 13 1 1 A 47 47 ILE HA H 47 3.754 3.724 0.030 1
1 514 . 13 1 1 A 47 47 ILE CB C 47 38.335 38.084 0.251 1
1 527 . 13 1 1 A 47 47 ILE C C 47 176.853 178.137 -1.284 1
1 528 . 13 1 1 A 48 48 HIS N N 48 120.066 119.853 0.213 1
1 529 . 13 1 1 A 48 48 HIS H H 48 8.569 8.875 -0.306 1
1 530 . 13 1 1 A 48 48 HIS CA C 48 60.767 60.159 0.608 1
1 531 . 13 1 1 A 48 48 HIS HA H 48 3.918 4.471 -0.553 1
1 532 . 13 1 1 A 48 48 HIS CB C 48 31.245 29.989 1.256 1
1 539 . 13 1 1 A 48 48 HIS C C 48 175.841 176.926 -1.085 1
1 540 . 13 1 1 A 49 49 ARG N N 49 118.781 117.784 0.997 1
1 541 . 13 1 1 A 49 49 ARG H H 49 8.572 8.454 0.118 1
1 542 . 13 1 1 A 49 49 ARG CA C 49 58.152 59.232 -1.080 1
1 543 . 13 1 1 A 49 49 ARG HA H 49 3.680 4.074 -0.394 1
1 544 . 13 1 1 A 49 49 ARG CB C 49 28.454 30.041 -1.587 1
1 555 . 13 1 1 A 49 49 ARG C C 49 177.830 178.974 -1.144 1
1 556 . 13 1 1 A 50 50 PHE N N 50 113.909 117.687 -3.778 1
1 557 . 13 1 1 A 50 50 PHE H H 50 6.900 7.545 -0.645 1
1 558 . 13 1 1 A 50 50 PHE CA C 50 59.885 59.618 0.267 1
1 559 . 13 1 1 A 50 50 PHE HA H 50 4.281 4.314 -0.033 1
1 560 . 13 1 1 A 50 50 PHE CB C 50 41.527 39.670 1.857 1
1 573 . 13 1 1 A 50 50 PHE C C 50 176.867 176.024 0.843 1
1 574 . 13 1 1 A 51 51 ARG N N 51 120.652 118.757 1.895 1
1 575 . 13 1 1 A 51 51 ARG H H 51 9.059 8.368 0.691 1
1 576 . 13 1 1 A 51 51 ARG CA C 51 51.499 53.716 -2.217 1
1 577 . 13 1 1 A 51 51 ARG HA H 51 4.942 4.800 0.142 1
1 578 . 13 1 1 A 51 51 ARG CB C 51 30.307 30.846 -0.539 1
1 589 . 13 1 1 A 51 51 ARG C C 51 172.670 174.533 -1.863 1
1 590 . 13 1 1 A 52 52 PRO CA C 52 64.948 64.257 0.691 1
1 591 . 13 1 1 A 52 52 PRO HA H 52 4.343 3.889 0.454 1
1 592 . 13 1 1 A 52 52 PRO CB C 52 31.091 31.535 -0.444 1
1 601 . 13 1 1 A 52 52 PRO C C 52 177.406 177.843 -0.437 1
1 602 . 13 1 1 A 53 53 GLU N N 53 118.219 116.284 1.935 1
1 603 . 13 1 1 A 53 53 GLU H H 53 9.784 8.847 0.937 1
1 604 . 13 1 1 A 53 53 GLU CA C 53 57.285 59.177 -1.892 1
1 605 . 13 1 1 A 53 53 GLU HA H 53 4.322 4.099 0.223 1
1 606 . 13 1 1 A 53 53 GLU CB C 53 27.771 28.982 -1.211 1
1 612 . 13 1 1 A 53 53 GLU C C 53 177.957 179.293 -1.336 1
1 613 . 13 1 1 A 54 54 LEU N N 54 119.316 119.511 -0.195 1
1 614 . 13 1 1 A 54 54 LEU H H 54 8.212 7.578 0.634 1
1 615 . 13 1 1 A 54 54 LEU CA C 54 55.943 57.824 -1.881 1
1 616 . 13 1 1 A 54 54 LEU HA H 54 4.337 4.106 0.231 1
1 617 . 13 1 1 A 54 54 LEU CB C 54 43.122 42.073 1.049 1
1 630 . 13 1 1 A 54 54 LEU C C 54 177.159 177.185 -0.026 1
1 631 . 13 1 1 A 55 55 ILE N N 55 115.493 118.037 -2.544 1
1 632 . 13 1 1 A 55 55 ILE H H 55 6.990 7.885 -0.895 1
1 633 . 13 1 1 A 55 55 ILE CA C 55 59.645 59.614 0.031 1
1 634 . 13 1 1 A 55 55 ILE HA H 55 4.230 4.758 -0.528 1
1 635 . 13 1 1 A 55 55 ILE CB C 55 43.159 41.930 1.229 1
1 648 . 13 1 1 A 55 55 ILE C C 55 173.302 174.290 -0.988 1
1 649 . 13 1 1 A 56 56 ASN N N 56 124.568 124.820 -0.252 1
1 650 . 13 1 1 A 56 56 ASN H H 56 8.984 8.852 0.132 1
1 651 . 13 1 1 A 56 56 ASN CA C 56 51.198 51.631 -0.433 1
1 652 . 13 1 1 A 56 56 ASN HA H 56 5.100 5.256 -0.156 1
1 653 . 13 1 1 A 56 56 ASN CB C 56 36.452 39.314 -2.862 1
1 659 . 13 1 1 A 56 56 ASN C C 56 175.902 175.583 0.319 1
1 660 . 13 1 1 A 57 57 PHE N N 57 126.548 126.678 -0.130 1
1 661 . 13 1 1 A 57 57 PHE H H 57 7.219 9.018 -1.799 1
1 662 . 13 1 1 A 57 57 PHE CA C 57 62.399 62.553 -0.154 1
1 663 . 13 1 1 A 57 57 PHE HA H 57 3.514 3.962 -0.448 1
1 664 . 13 1 1 A 57 57 PHE CB C 57 39.553 39.751 -0.198 1
1 677 . 13 1 1 A 57 57 PHE C C 57 176.597 177.016 -0.419 1
1 678 . 13 1 1 A 58 58 ASP N N 58 116.755 119.851 -3.096 1
1 679 . 13 1 1 A 58 58 ASP H H 58 8.691 8.435 0.256 1
1 680 . 13 1 1 A 58 58 ASP CA C 58 56.635 57.219 -0.584 1
1 681 . 13 1 1 A 58 58 ASP HA H 58 4.324 4.427 -0.103 1
1 682 . 13 1 1 A 58 58 ASP CB C 58 40.262 41.012 -0.750 1
1 685 . 13 1 1 A 58 58 ASP C C 58 176.562 178.274 -1.712 1
1 686 . 13 1 1 A 59 59 SER N N 59 112.320 112.345 -0.025 1
1 687 . 13 1 1 A 59 59 SER H H 59 7.412 8.252 -0.840 1
1 688 . 13 1 1 A 59 59 SER CA C 59 58.740 61.168 -2.428 1
1 689 . 13 1 1 A 59 59 SER HA H 59 4.365 4.374 -0.009 1
1 690 . 13 1 1 A 59 59 SER CB C 59 64.598 62.876 1.722 1
1 693 . 13 1 1 A 59 59 SER C C 59 174.309 174.810 -0.501 1
1 694 . 13 1 1 A 60 60 LEU N N 60 121.693 121.139 0.554 1
1 695 . 13 1 1 A 60 60 LEU H H 60 7.176 7.348 -0.172 1
1 696 . 13 1 1 A 60 60 LEU CA C 60 54.593 55.766 -1.173 1
1 697 . 13 1 1 A 60 60 LEU HA H 60 4.196 4.176 0.020 1
1 698 . 13 1 1 A 60 60 LEU CB C 60 40.943 41.877 -0.934 1
1 711 . 13 1 1 A 60 60 LEU C C 60 176.774 175.909 0.865 1
1 712 . 13 1 1 A 61 61 ASN N N 61 121.648 124.694 -3.046 1
1 713 . 13 1 1 A 61 61 ASN H H 61 9.391 8.417 0.974 1
1 714 . 13 1 1 A 61 61 ASN CA C 61 51.763 51.570 0.193 1
1 715 . 13 1 1 A 61 61 ASN HA H 61 4.721 4.906 -0.185 1
1 716 . 13 1 1 A 61 61 ASN CB C 61 40.025 39.645 0.380 1
1 722 . 13 1 1 A 61 61 ASN C C 61 176.599 175.329 1.270 1
1 723 . 13 1 1 A 62 62 GLU N N 62 126.707 126.849 -0.142 1
1 724 . 13 1 1 A 62 62 GLU H H 62 9.255 8.958 0.297 1
1 725 . 13 1 1 A 62 62 GLU CA C 62 58.926 60.477 -1.551 1
1 726 . 13 1 1 A 62 62 GLU HA H 62 3.688 3.844 -0.156 1
1 727 . 13 1 1 A 62 62 GLU CB C 62 29.479 29.678 -0.199 1
1 733 . 13 1 1 A 62 62 GLU C C 62 176.196 177.896 -1.700 1
1 734 . 13 1 1 A 63 63 ASP N N 63 116.763 119.861 -3.098 1
1 735 . 13 1 1 A 63 63 ASP H H 63 8.317 8.613 -0.296 1
1 736 . 13 1 1 A 63 63 ASP CA C 63 55.499 57.769 -2.270 1
1 737 . 13 1 1 A 63 63 ASP HA H 63 4.509 4.347 0.162 1
1 738 . 13 1 1 A 63 63 ASP CB C 63 40.697 41.853 -1.156 1
1 741 . 13 1 1 A 63 63 ASP C C 63 177.195 177.277 -0.082 1
1 742 . 13 1 1 A 64 64 ASP N N 64 123.036 117.284 5.752 1
1 743 . 13 1 1 A 64 64 ASP H H 64 7.422 8.268 -0.846 1
1 744 . 13 1 1 A 64 64 ASP CA C 64 52.760 53.504 -0.744 1
1 745 . 13 1 1 A 64 64 ASP HA H 64 4.949 4.881 0.068 1
1 746 . 13 1 1 A 64 64 ASP CB C 64 38.920 39.297 -0.377 1
1 749 . 13 1 1 A 64 64 ASP C C 64 174.979 176.262 -1.283 1
1 750 . 13 1 1 A 65 65 ALA N N 65 123.411 123.497 -0.086 1
1 751 . 13 1 1 A 65 65 ALA H H 65 7.527 8.014 -0.487 1
1 752 . 13 1 1 A 65 65 ALA CA C 65 55.750 55.227 0.523 1
1 753 . 13 1 1 A 65 65 ALA HA H 65 4.295 3.899 0.396 1
1 754 . 13 1 1 A 65 65 ALA CB C 65 19.889 18.611 1.278 1
1 758 . 13 1 1 A 65 65 ALA C C 65 181.114 179.992 1.122 1
1 759 . 13 1 1 A 66 66 VAL N N 66 119.151 118.201 0.950 1
1 760 . 13 1 1 A 66 66 VAL H H 66 8.305 8.123 0.182 1
1 761 . 13 1 1 A 66 66 VAL CA C 66 67.423 67.028 0.395 1
1 762 . 13 1 1 A 66 66 VAL HA H 66 3.292 3.628 -0.336 1
1 763 . 13 1 1 A 66 66 VAL CB C 66 31.418 31.639 -0.221 1
1 773 . 13 1 1 A 66 66 VAL C C 66 177.471 177.946 -0.475 1
1 774 . 13 1 1 A 67 67 GLU N N 67 117.895 119.047 -1.152 1
1 775 . 13 1 1 A 67 67 GLU H H 67 8.256 8.299 -0.043 1
1 776 . 13 1 1 A 67 67 GLU CA C 67 59.831 59.557 0.274 1
1 777 . 13 1 1 A 67 67 GLU HA H 67 3.901 3.976 -0.075 1
1 778 . 13 1 1 A 67 67 GLU CB C 67 28.963 29.119 -0.156 1
1 784 . 13 1 1 A 67 67 GLU C C 67 179.796 179.071 0.725 1
1 785 . 13 1 1 A 68 68 ASN N N 68 119.611 118.336 1.275 1
1 786 . 13 1 1 A 68 68 ASN H H 68 9.019 8.409 0.610 1
1 787 . 13 1 1 A 68 68 ASN CA C 68 55.797 56.528 -0.731 1
1 788 . 13 1 1 A 68 68 ASN HA H 68 4.325 4.308 0.017 1
1 789 . 13 1 1 A 68 68 ASN CB C 68 37.140 37.791 -0.651 1
1 795 . 13 1 1 A 68 68 ASN C C 68 177.193 178.097 -0.904 1
1 796 . 13 1 1 A 69 69 ASN N N 69 115.555 117.819 -2.264 1
1 797 . 13 1 1 A 69 69 ASN H H 69 7.589 8.210 -0.621 1
1 798 . 13 1 1 A 69 69 ASN CA C 69 57.155 56.208 0.947 1
1 799 . 13 1 1 A 69 69 ASN HA H 69 3.880 4.135 -0.255 1
1 800 . 13 1 1 A 69 69 ASN CB C 69 40.785 38.226 2.559 1
1 806 . 13 1 1 A 69 69 ASN C C 69 175.062 177.812 -2.750 1
1 807 . 13 1 1 A 70 70 GLN N N 70 115.794 118.051 -2.257 1
1 808 . 13 1 1 A 70 70 GLN H H 70 8.058 8.200 -0.142 1
1 809 . 13 1 1 A 70 70 GLN CA C 70 58.400 59.161 -0.761 1
1 810 . 13 1 1 A 70 70 GLN HA H 70 3.591 4.195 -0.604 1
1 811 . 13 1 1 A 70 70 GLN CB C 70 29.420 28.442 0.978 1
1 820 . 13 1 1 A 70 70 GLN C C 70 176.954 178.435 -1.481 1
1 821 . 13 1 1 A 71 71 LEU N N 71 118.631 122.135 -3.504 1
1 822 . 13 1 1 A 71 71 LEU H H 71 8.090 8.233 -0.143 1
1 823 . 13 1 1 A 71 71 LEU CA C 71 58.121 58.405 -0.284 1
1 824 . 13 1 1 A 71 71 LEU HA H 71 4.291 4.022 0.269 1
1 825 . 13 1 1 A 71 71 LEU CB C 71 42.100 41.980 0.120 1
1 838 . 13 1 1 A 71 71 LEU C C 71 177.664 178.196 -0.532 1
1 839 . 13 1 1 A 72 72 ALA N N 72 119.977 120.323 -0.346 1
1 840 . 13 1 1 A 72 72 ALA H H 72 7.274 7.923 -0.649 1
1 841 . 13 1 1 A 72 72 ALA CA C 72 55.807 54.980 0.827 1
1 842 . 13 1 1 A 72 72 ALA HA H 72 3.873 4.075 -0.202 1
1 843 . 13 1 1 A 72 72 ALA CB C 72 18.412 18.643 -0.231 1
1 847 . 13 1 1 A 72 72 ALA C C 72 179.676 179.884 -0.208 1
1 848 . 13 1 1 A 73 73 PHE N N 73 115.018 115.991 -0.973 1
1 849 . 13 1 1 A 73 73 PHE H H 73 8.722 7.925 0.797 1
1 850 . 13 1 1 A 73 73 PHE CA C 73 56.889 62.716 -5.827 1
1 851 . 13 1 1 A 73 73 PHE HA H 73 4.848 4.576 0.272 1
1 852 . 13 1 1 A 73 73 PHE CB C 73 37.404 39.127 -1.723 1
1 865 . 13 1 1 A 73 73 PHE C C 73 180.123 177.992 2.131 1
1 866 . 13 1 1 A 74 74 ASP N N 74 122.136 119.559 2.577 1
1 867 . 13 1 1 A 74 74 ASP H H 74 9.262 8.761 0.501 1
1 868 . 13 1 1 A 74 74 ASP CA C 74 57.648 57.665 -0.017 1
1 869 . 13 1 1 A 74 74 ASP HA H 74 4.550 4.425 0.125 1
1 870 . 13 1 1 A 74 74 ASP CB C 74 40.073 41.576 -1.503 1
1 873 . 13 1 1 A 74 74 ASP C C 74 179.818 178.796 1.022 1
1 874 . 13 1 1 A 75 75 VAL N N 75 122.521 119.044 3.477 1
1 875 . 13 1 1 A 75 75 VAL H H 75 9.080 8.498 0.582 1
1 876 . 13 1 1 A 75 75 VAL CA C 75 66.894 66.327 0.567 1
1 877 . 13 1 1 A 75 75 VAL HA H 75 3.611 3.606 0.005 1
1 878 . 13 1 1 A 75 75 VAL CB C 75 31.943 31.541 0.402 1
1 888 . 13 1 1 A 75 75 VAL C C 75 177.813 178.104 -0.291 1
1 889 . 13 1 1 A 76 76 ALA N N 76 121.109 121.612 -0.503 1
1 890 . 13 1 1 A 76 76 ALA H H 76 8.813 8.354 0.459 1
1 891 . 13 1 1 A 76 76 ALA CA C 76 55.181 55.430 -0.249 1
1 892 . 13 1 1 A 76 76 ALA HA H 76 4.092 4.420 -0.328 1
1 893 . 13 1 1 A 76 76 ALA CB C 76 19.324 18.710 0.614 1
1 897 . 13 1 1 A 76 76 ALA C C 76 180.373 180.081 0.292 1
1 898 . 13 1 1 A 77 77 GLU N N 77 120.309 118.333 1.976 1
1 899 . 13 1 1 A 77 77 GLU H H 77 8.257 7.860 0.397 1
1 900 . 13 1 1 A 77 77 GLU CA C 77 59.818 58.525 1.293 1
1 901 . 13 1 1 A 77 77 GLU HA H 77 3.982 4.246 -0.264 1
1 902 . 13 1 1 A 77 77 GLU CB C 77 30.530 29.782 0.748 1
1 908 . 13 1 1 A 77 77 GLU C C 77 178.591 178.307 0.284 1
1 909 . 13 1 1 A 78 78 ARG N N 78 119.060 119.605 -0.545 1
1 910 . 13 1 1 A 78 78 ARG H H 78 8.325 8.192 0.133 1
1 911 . 13 1 1 A 78 78 ARG CA C 78 59.232 58.293 0.939 1
1 912 . 13 1 1 A 78 78 ARG HA H 78 4.048 4.212 -0.164 1
1 913 . 13 1 1 A 78 78 ARG CB C 78 31.462 30.473 0.989 1
1 924 . 13 1 1 A 78 78 ARG C C 78 178.327 177.540 0.787 1
1 925 . 13 1 1 A 79 79 GLU N N 79 114.012 117.863 -3.851 1
1 926 . 13 1 1 A 79 79 GLU H H 79 8.878 8.338 0.540 1
1 927 . 13 1 1 A 79 79 GLU CA C 79 56.599 57.796 -1.197 1
1 928 . 13 1 1 A 79 79 GLU HA H 79 4.329 4.347 -0.018 1
1 929 . 13 1 1 A 79 79 GLU CB C 79 28.771 30.642 -1.871 1
1 935 . 13 1 1 A 79 79 GLU C C 79 178.301 178.028 0.273 1
1 936 . 13 1 1 A 80 80 PHE N N 80 113.394 116.909 -3.515 1
1 937 . 13 1 1 A 80 80 PHE H H 80 6.906 7.471 -0.565 1
1 938 . 13 1 1 A 80 80 PHE CA C 80 53.518 58.016 -4.498 1
1 939 . 13 1 1 A 80 80 PHE HA H 80 5.246 4.572 0.674 1
1 940 . 13 1 1 A 80 80 PHE CB C 80 39.910 39.353 0.557 1
1 953 . 13 1 1 A 80 80 PHE C C 80 176.487 176.194 0.293 1
1 954 . 13 1 1 A 81 81 GLY N N 81 108.698 109.152 -0.454 1
1 955 . 13 1 1 A 81 81 GLY H H 81 7.352 8.310 -0.958 1
1 956 . 13 1 1 A 81 81 GLY CA C 81 46.520 46.663 -0.143 1
1 957 . 13 1 1 A 81 81 GLY HA2 H 81 3.975 4.020 -0.045 1
1 958 . 13 1 1 A 81 81 GLY HA3 H 81 3.975 4.030 -0.055 1
1 959 . 13 1 1 A 81 81 GLY C C 81 174.711 174.660 0.051 1
1 960 . 13 1 1 A 82 82 ILE N N 82 122.486 121.964 0.522 1
1 961 . 13 1 1 A 82 82 ILE H H 82 7.507 8.506 -0.999 1
1 962 . 13 1 1 A 82 82 ILE CA C 82 58.810 58.148 0.662 1
1 963 . 13 1 1 A 82 82 ILE HA H 82 4.285 4.375 -0.090 1
1 964 . 13 1 1 A 82 82 ILE CB C 82 39.376 38.922 0.454 1
1 977 . 13 1 1 A 82 82 ILE C C 82 172.836 175.038 -2.202 1
1 978 . 13 1 1 A 83 83 PRO CA C 83 60.989 62.163 -1.174 1
1 979 . 13 1 1 A 83 83 PRO HA H 83 4.589 4.764 -0.175 1
1 980 . 13 1 1 A 83 83 PRO CB C 83 31.107 31.865 -0.758 1
1 989 . 13 1 1 A 84 84 PRO CA C 84 62.860 62.392 0.468 1
1 990 . 13 1 1 A 84 84 PRO HA H 84 4.405 4.595 -0.190 1
1 991 . 13 1 1 A 84 84 PRO CB C 84 32.638 31.718 0.920 1
1 1000 . 13 1 1 A 84 84 PRO C C 84 177.894 177.342 0.552 1
1 1001 . 13 1 1 A 85 85 VAL N N 85 114.062 120.279 -6.217 1
1 1002 . 13 1 1 A 85 85 VAL H H 85 6.621 7.841 -1.220 1
1 1003 . 13 1 1 A 85 85 VAL CA C 85 61.000 64.565 -3.565 1
1 1004 . 13 1 1 A 85 85 VAL HA H 85 4.080 3.708 0.372 1
1 1005 . 13 1 1 A 85 85 VAL CB C 85 32.725 31.764 0.961 1
1 1015 . 13 1 1 A 85 85 VAL C C 85 174.315 175.548 -1.233 1
1 1016 . 13 1 1 A 86 86 THR N N 86 114.774 114.352 0.422 1
1 1017 . 13 1 1 A 86 86 THR H H 86 6.827 7.257 -0.430 1
1 1018 . 13 1 1 A 86 86 THR CA C 86 59.336 59.488 -0.152 1
1 1019 . 13 1 1 A 86 86 THR HA H 86 4.442 4.674 -0.232 1
1 1020 . 13 1 1 A 86 86 THR CB C 86 68.016 71.544 -3.528 1
1 1026 . 13 1 1 A 86 86 THR C C 86 172.724 171.984 0.740 1
1 1027 . 13 1 1 A 87 87 THR N N 87 109.655 115.695 -6.040 1
1 1028 . 13 1 1 A 87 87 THR H H 87 8.313 8.419 -0.106 1
1 1029 . 13 1 1 A 87 87 THR CA C 87 59.870 60.311 -0.441 1
1 1030 . 13 1 1 A 87 87 THR HA H 87 5.000 4.655 0.345 1
1 1031 . 13 1 1 A 87 87 THR CB C 87 72.527 70.826 1.701 1
1 1037 . 13 1 1 A 87 87 THR C C 87 176.440 175.669 0.771 1
1 1038 . 13 1 1 A 88 88 GLY N N 88 110.531 110.343 0.188 1
1 1039 . 13 1 1 A 88 88 GLY H H 88 9.655 9.142 0.513 1
1 1040 . 13 1 1 A 88 88 GLY CA C 88 49.124 47.647 1.477 1
1 1041 . 13 1 1 A 88 88 GLY HA2 H 88 4.115 3.999 0.116 1
1 1042 . 13 1 1 A 88 88 GLY HA3 H 88 3.755 4.121 -0.366 1
1 1043 . 13 1 1 A 88 88 GLY C C 88 175.154 175.776 -0.622 1
1 1044 . 13 1 1 A 89 89 LYS N N 89 119.606 121.973 -2.367 1
1 1045 . 13 1 1 A 89 89 LYS H H 89 8.542 8.105 0.437 1
1 1046 . 13 1 1 A 89 89 LYS CA C 89 59.687 59.654 0.033 1
1 1047 . 13 1 1 A 89 89 LYS HA H 89 4.030 4.006 0.024 1
1 1048 . 13 1 1 A 89 89 LYS CB C 89 32.733 32.307 0.426 1
1 1060 . 13 1 1 A 89 89 LYS C C 89 178.921 179.383 -0.462 1
1 1061 . 13 1 1 A 90 90 GLU N N 90 118.992 119.669 -0.677 1
1 1062 . 13 1 1 A 90 90 GLU H H 90 7.610 7.906 -0.296 1
1 1063 . 13 1 1 A 90 90 GLU CA C 90 59.238 59.470 -0.232 1
1 1064 . 13 1 1 A 90 90 GLU HA H 90 4.008 4.016 -0.008 1
1 1065 . 13 1 1 A 90 90 GLU CB C 90 29.946 29.065 0.881 1
1 1071 . 13 1 1 A 90 90 GLU C C 90 179.366 179.182 0.184 1
1 1072 . 13 1 1 A 91 91 MET N N 91 120.109 119.959 0.150 1
1 1073 . 13 1 1 A 91 91 MET H H 91 8.468 8.391 0.077 1
1 1074 . 13 1 1 A 91 91 MET CA C 91 57.606 58.466 -0.860 1
1 1075 . 13 1 1 A 91 91 MET HA H 91 4.355 4.126 0.229 1
1 1076 . 13 1 1 A 91 91 MET CB C 91 32.364 32.260 0.104 1
1 1086 . 13 1 1 A 91 91 MET C C 91 177.168 178.090 -0.922 1
1 1087 . 13 1 1 A 92 92 ALA N N 92 115.912 122.055 -6.143 1
1 1088 . 13 1 1 A 92 92 ALA H H 92 7.876 7.807 0.069 1
1 1089 . 13 1 1 A 92 92 ALA CA C 92 53.278 55.361 -2.083 1
1 1090 . 13 1 1 A 92 92 ALA HA H 92 4.316 4.041 0.275 1
1 1091 . 13 1 1 A 92 92 ALA CB C 92 20.275 17.993 2.282 1
1 1095 . 13 1 1 A 92 92 ALA C C 92 178.672 179.649 -0.977 1
1 1096 . 13 1 1 A 93 93 SER N N 93 111.760 112.854 -1.094 1
1 1097 . 13 1 1 A 93 93 SER H H 93 7.431 8.279 -0.848 1
1 1098 . 13 1 1 A 93 93 SER CA C 93 58.584 61.522 -2.938 1
1 1099 . 13 1 1 A 93 93 SER HA H 93 4.471 4.132 0.339 1
1 1100 . 13 1 1 A 93 93 SER CB C 93 64.582 63.138 1.444 1
1 1103 . 13 1 1 A 93 93 SER C C 93 173.576 176.151 -2.575 1
1 1104 . 13 1 1 A 94 94 ALA N N 94 123.381 122.720 0.661 1
1 1105 . 13 1 1 A 94 94 ALA H H 94 7.903 7.991 -0.088 1
1 1106 . 13 1 1 A 94 94 ALA CA C 94 52.760 53.174 -0.414 1
1 1107 . 13 1 1 A 94 94 ALA HA H 94 4.267 4.100 0.167 1
1 1108 . 13 1 1 A 94 94 ALA CB C 94 18.364 19.223 -0.859 1
1 1112 . 13 1 1 A 94 94 ALA C C 94 177.611 177.806 -0.195 1
1 1113 . 13 1 1 A 95 95 GLN N N 95 120.874 125.264 -4.390 1
1 1114 . 13 1 1 A 95 95 GLN H H 95 8.305 8.616 -0.311 1
1 1115 . 13 1 1 A 95 95 GLN CA C 95 56.821 59.028 -2.207 1
1 1116 . 13 1 1 A 95 95 GLN HA H 95 4.185 4.139 0.046 1
1 1117 . 13 1 1 A 95 95 GLN CB C 95 29.052 29.096 -0.044 1
1 1126 . 13 1 1 A 95 95 GLN C C 95 175.975 176.282 -0.307 1
1 1127 . 13 1 1 A 96 96 GLU N N 96 120.251 118.080 2.171 1
1 1128 . 13 1 1 A 96 96 GLU H H 96 8.402 7.942 0.460 1
1 1129 . 13 1 1 A 96 96 GLU CA C 96 54.378 53.019 1.359 1
1 1130 . 13 1 1 A 96 96 GLU HA H 96 4.537 4.740 -0.203 1
1 1131 . 13 1 1 A 96 96 GLU CB C 96 30.216 30.913 -0.697 1
1 1137 . 13 1 1 A 96 96 GLU C C 96 173.618 174.243 -0.625 1
1 1138 . 13 1 1 A 97 97 PRO CA C 97 62.763 62.370 0.393 1
1 1139 . 13 1 1 A 97 97 PRO HA H 97 4.362 4.548 -0.186 1
1 1140 . 13 1 1 A 97 97 PRO CB C 97 32.356 32.475 -0.119 1
1 1149 . 13 1 1 A 97 97 PRO C C 97 174.841 175.946 -1.105 1
1 1150 . 13 1 1 A 98 98 ASP N N 98 120.272 121.747 -1.475 1
1 1151 . 13 1 1 A 98 98 ASP H H 98 8.396 8.618 -0.222 1
1 1152 . 13 1 1 A 98 98 ASP CA C 98 54.555 53.958 0.597 1
1 1153 . 13 1 1 A 98 98 ASP HA H 98 4.409 4.624 -0.215 1
1 1154 . 13 1 1 A 98 98 ASP CB C 98 42.248 42.513 -0.265 1
1 1157 . 13 1 1 A 98 98 ASP C C 98 176.253 177.564 -1.311 1
1 1158 . 13 1 1 A 99 99 LYS N N 99 126.808 123.497 3.311 1
1 1159 . 13 1 1 A 99 99 LYS H H 99 8.454 8.678 -0.224 1
1 1160 . 13 1 1 A 99 99 LYS CA C 99 60.158 59.169 0.989 1
1 1161 . 13 1 1 A 99 99 LYS HA H 99 3.705 4.051 -0.346 1
1 1162 . 13 1 1 A 99 99 LYS CB C 99 32.832 32.360 0.472 1
1 1174 . 13 1 1 A 99 99 LYS C C 99 177.621 178.914 -1.293 1
1 1175 . 13 1 1 A 100 100 LEU N N 100 118.450 121.991 -3.541 1
1 1176 . 13 1 1 A 100 100 LEU H H 100 8.160 7.714 0.446 1
1 1177 . 13 1 1 A 100 100 LEU CA C 100 58.094 57.959 0.135 1
1 1178 . 13 1 1 A 100 100 LEU HA H 100 4.020 4.040 -0.020 1
1 1179 . 13 1 1 A 100 100 LEU CB C 100 40.800 41.372 -0.572 1
1 1192 . 13 1 1 A 100 100 LEU C C 100 179.776 178.732 1.044 1
1 1193 . 13 1 1 A 101 101 SER N N 101 115.644 116.275 -0.631 1
1 1194 . 13 1 1 A 101 101 SER H H 101 8.047 8.056 -0.009 1
1 1195 . 13 1 1 A 101 101 SER CA C 101 61.765 62.034 -0.269 1
1 1196 . 13 1 1 A 101 101 SER HA H 101 4.174 4.069 0.105 1
1 1197 . 13 1 1 A 101 101 SER CB C 101 62.609 62.650 -0.041 1
1 1200 . 13 1 1 A 101 101 SER C C 101 176.476 176.601 -0.125 1
1 1201 . 13 1 1 A 102 102 MET N N 102 120.653 119.684 0.969 1
1 1202 . 13 1 1 A 102 102 MET H H 102 8.027 7.862 0.165 1
1 1203 . 13 1 1 A 102 102 MET CA C 102 56.380 58.151 -1.771 1
1 1204 . 13 1 1 A 102 102 MET HA H 102 4.508 4.165 0.343 1
1 1205 . 13 1 1 A 102 102 MET CB C 102 30.731 32.509 -1.778 1
1 1215 . 13 1 1 A 102 102 MET C C 102 178.903 178.547 0.356 1
1 1216 . 13 1 1 A 103 103 VAL N N 103 119.836 119.636 0.200 1
1 1217 . 13 1 1 A 103 103 VAL H H 103 8.556 8.358 0.198 1
1 1218 . 13 1 1 A 103 103 VAL CA C 103 67.049 66.724 0.325 1
1 1219 . 13 1 1 A 103 103 VAL HA H 103 3.370 3.482 -0.112 1
1 1220 . 13 1 1 A 103 103 VAL CB C 103 31.583 31.503 0.080 1
1 1230 . 13 1 1 A 103 103 VAL C C 103 179.225 177.649 1.576 1
1 1231 . 13 1 1 A 104 104 MET N N 104 120.390 119.155 1.235 1
1 1232 . 13 1 1 A 104 104 MET H H 104 8.112 8.750 -0.638 1
1 1233 . 13 1 1 A 104 104 MET CA C 104 58.991 58.464 0.527 1
1 1234 . 13 1 1 A 104 104 MET HA H 104 4.047 4.216 -0.169 1
1 1235 . 13 1 1 A 104 104 MET CB C 104 31.979 32.317 -0.338 1
1 1245 . 13 1 1 A 104 104 MET C C 104 178.210 178.206 0.004 1
1 1246 . 13 1 1 A 105 105 TYR N N 105 120.956 122.092 -1.136 1
1 1247 . 13 1 1 A 105 105 TYR H H 105 8.185 8.102 0.083 1
1 1248 . 13 1 1 A 105 105 TYR CA C 105 61.449 61.467 -0.018 1
1 1249 . 13 1 1 A 105 105 TYR HA H 105 4.317 4.210 0.107 1
1 1250 . 13 1 1 A 105 105 TYR CB C 105 40.259 38.649 1.610 1
1 1261 . 13 1 1 A 105 105 TYR C C 105 177.805 177.228 0.577 1
1 1262 . 13 1 1 A 106 106 LEU N N 106 116.468 120.490 -4.022 1
1 1263 . 13 1 1 A 106 106 LEU H H 106 9.088 8.778 0.310 1
1 1264 . 13 1 1 A 106 106 LEU CA C 106 57.744 57.787 -0.043 1
1 1265 . 13 1 1 A 106 106 LEU HA H 106 4.139 3.996 0.143 1
1 1266 . 13 1 1 A 106 106 LEU CB C 106 42.285 41.161 1.124 1
1 1279 . 13 1 1 A 106 106 LEU C C 106 180.758 178.725 2.033 1
1 1280 . 13 1 1 A 107 107 SER N N 107 114.570 113.380 1.190 1
1 1281 . 13 1 1 A 107 107 SER H H 107 8.338 8.533 -0.195 1
1 1282 . 13 1 1 A 107 107 SER CA C 107 63.030 61.598 1.432 1
1 1283 . 13 1 1 A 107 107 SER HA H 107 4.016 4.026 -0.010 1
1 1284 . 13 1 1 A 107 107 SER CB C 107 62.866 62.901 -0.035 1
1 1287 . 13 1 1 A 107 107 SER C C 107 175.377 177.097 -1.720 1
1 1288 . 13 1 1 A 108 108 LYS N N 108 120.221 120.206 0.015 1
1 1289 . 13 1 1 A 108 108 LYS H H 108 7.522 7.412 0.110 1
1 1290 . 13 1 1 A 108 108 LYS CA C 108 58.870 58.978 -0.108 1
1 1291 . 13 1 1 A 108 108 LYS HA H 108 3.910 3.763 0.147 1
1 1292 . 13 1 1 A 108 108 LYS CB C 108 31.719 31.929 -0.210 1
1 1304 . 13 1 1 A 108 108 LYS C C 108 179.587 179.230 0.357 1
1 1305 . 13 1 1 A 109 109 PHE N N 109 118.900 119.465 -0.565 1
1 1306 . 13 1 1 A 109 109 PHE H H 109 7.282 7.674 -0.392 1
1 1307 . 13 1 1 A 109 109 PHE CA C 109 61.501 60.255 1.246 1
1 1308 . 13 1 1 A 109 109 PHE HA H 109 3.550 3.904 -0.354 1
1 1309 . 13 1 1 A 109 109 PHE CB C 109 38.201 38.630 -0.429 1
1 1322 . 13 1 1 A 109 109 PHE C C 109 176.181 177.931 -1.750 1
1 1323 . 13 1 1 A 110 110 TYR N N 110 120.089 119.454 0.635 1
1 1324 . 13 1 1 A 110 110 TYR H H 110 7.417 8.300 -0.883 1
1 1325 . 13 1 1 A 110 110 TYR CA C 110 60.263 61.777 -1.514 1
1 1326 . 13 1 1 A 110 110 TYR HA H 110 2.584 3.301 -0.717 1
1 1327 . 13 1 1 A 110 110 TYR CB C 110 38.138 38.255 -0.117 1
1 1338 . 13 1 1 A 110 110 TYR C C 110 176.298 176.841 -0.543 1
1 1339 . 13 1 1 A 111 111 GLU N N 111 115.750 118.432 -2.682 1
1 1340 . 13 1 1 A 111 111 GLU H H 111 7.899 8.602 -0.703 1
1 1341 . 13 1 1 A 111 111 GLU CA C 111 58.712 58.810 -0.098 1
1 1342 . 13 1 1 A 111 111 GLU HA H 111 3.528 3.489 0.039 1
1 1343 . 13 1 1 A 111 111 GLU CB C 111 29.429 29.408 0.021 1
1 1349 . 13 1 1 A 111 111 GLU C C 111 178.367 178.443 -0.076 1
1 1350 . 13 1 1 A 112 112 LEU N N 112 118.646 121.830 -3.184 1
1 1351 . 13 1 1 A 112 112 LEU H H 112 6.922 7.803 -0.881 1
1 1352 . 13 1 1 A 112 112 LEU CA C 112 57.107 57.763 -0.656 1
1 1353 . 13 1 1 A 112 112 LEU HA H 112 3.775 3.648 0.127 1
1 1354 . 13 1 1 A 112 112 LEU CB C 112 42.499 41.183 1.316 1
1 1367 . 13 1 1 A 112 112 LEU C C 112 178.820 178.172 0.648 1
1 1368 . 13 1 1 A 113 113 PHE N N 113 114.884 116.799 -1.915 1
1 1369 . 13 1 1 A 113 113 PHE H H 113 7.723 7.657 0.066 1
1 1370 . 13 1 1 A 113 113 PHE CA C 113 57.108 60.406 -3.298 1
1 1371 . 13 1 1 A 113 113 PHE HA H 113 4.495 3.981 0.514 1
1 1372 . 13 1 1 A 113 113 PHE CB C 113 38.324 38.901 -0.577 1
1 1385 . 13 1 1 A 113 113 PHE C C 113 177.445 177.803 -0.358 1
1 1386 . 13 1 1 A 114 114 ARG N N 114 119.913 119.735 0.178 1
1 1387 . 13 1 1 A 114 114 ARG H H 114 7.840 7.908 -0.068 1
1 1388 . 13 1 1 A 114 114 ARG CA C 114 57.747 58.542 -0.795 1
1 1389 . 13 1 1 A 114 114 ARG HA H 114 4.164 3.987 0.177 1
1 1390 . 13 1 1 A 114 114 ARG CB C 114 28.994 29.671 -0.677 1
1 1399 . 13 1 1 A 114 114 ARG C C 114 177.051 176.558 0.493 1
1 1400 . 13 1 1 A 115 115 GLY N N 115 108.376 105.861 2.515 1
1 1401 . 13 1 1 A 115 115 GLY H H 115 8.070 7.246 0.824 1
1 1402 . 13 1 1 A 115 115 GLY CA C 115 45.201 45.189 0.012 1
1 1403 . 13 1 1 A 115 115 GLY HA2 H 115 3.873 4.032 -0.159 1
1 1404 . 13 1 1 A 115 115 GLY HA3 H 115 3.988 4.039 -0.051 1
1 1405 . 13 1 1 A 115 115 GLY C C 115 173.987 172.460 1.527 1
1 1406 . 13 1 1 A 116 116 THR N N 116 116.618 116.786 -0.168 1
1 1407 . 13 1 1 A 116 116 THR H H 116 7.858 8.459 -0.601 1
1 1408 . 13 1 1 A 116 116 THR CA C 116 60.032 60.007 0.025 1
1 1409 . 13 1 1 A 116 116 THR HA H 116 4.620 4.666 -0.046 1
1 1410 . 13 1 1 A 116 116 THR CB C 116 70.082 69.312 0.770 1
1 1416 . 13 1 1 A 116 116 THR C C 116 172.615 173.529 -0.914 1
1 1417 . 13 1 1 A 117 117 PRO CA C 117 63.086 62.227 0.859 1
1 1418 . 13 1 1 A 117 117 PRO HA H 117 4.451 4.609 -0.158 1
1 1419 . 13 1 1 A 117 117 PRO CB C 117 32.220 32.558 -0.338 1
1 1428 . 13 1 1 A 117 117 PRO C C 117 176.812 175.639 1.173 1
1 1429 . 13 1 1 A 118 118 LEU N N 118 122.695 122.195 0.500 1
1 1430 . 13 1 1 A 118 118 LEU H H 118 8.424 8.321 0.103 1
1 1431 . 13 1 1 A 118 118 LEU CA C 118 55.266 54.180 1.086 1
1 1432 . 13 1 1 A 118 118 LEU HA H 118 4.276 4.579 -0.303 1
1 1433 . 13 1 1 A 118 118 LEU CB C 118 42.339 42.721 -0.382 1
1 1446 . 13 1 1 A 118 118 LEU C C 118 177.027 176.250 0.777 1
1 1447 . 13 1 1 A 119 119 ARG N N 119 122.979 125.863 -2.884 1
1 1448 . 13 1 1 A 119 119 ARG H H 119 8.250 8.612 -0.362 1
1 1449 . 13 1 1 A 119 119 ARG CA C 119 53.688 54.042 -0.354 1
1 1450 . 13 1 1 A 119 119 ARG HA H 119 4.644 4.426 0.218 1
1 1451 . 13 1 1 A 119 119 ARG CB C 119 30.469 30.811 -0.342 1
1 1460 . 13 1 1 A 119 119 ARG C C 119 174.019 175.005 -0.986 1
1 1461 . 13 1 1 A 120 120 PRO CA C 120 63.366 62.646 0.720 1
1 1462 . 13 1 1 A 120 120 PRO HA H 120 4.440 4.708 -0.268 1
1 1463 . 13 1 1 A 120 120 PRO CB C 120 31.958 31.711 0.247 1
1 1472 . 13 1 1 A 120 120 PRO C C 120 176.104 175.304 0.800 1
1 1 . 14 1 1 A 6 6 SER CA C 6 58.867 57.526 1.341 1
1 2 . 14 1 1 A 6 6 SER HA H 6 4.432 4.978 -0.546 1
1 3 . 14 1 1 A 6 6 SER CB C 6 63.603 65.409 -1.806 1
1 6 . 14 1 1 A 6 6 SER C C 6 175.018 175.471 -0.453 1
1 7 . 14 1 1 A 7 7 GLY N N 7 110.530 111.049 -0.519 1
1 8 . 14 1 1 A 7 7 GLY H H 7 8.382 8.317 0.065 1
1 9 . 14 1 1 A 7 7 GLY CA C 7 45.311 45.408 -0.097 1
1 10 . 14 1 1 A 7 7 GLY HA2 H 7 3.922 3.964 -0.042 1
1 11 . 14 1 1 A 7 7 GLY HA3 H 7 3.922 3.969 -0.047 1
1 12 . 14 1 1 A 7 7 GLY C C 7 173.740 173.247 0.493 1
1 13 . 14 1 1 A 8 8 ASP N N 8 120.471 121.665 -1.194 1
1 14 . 14 1 1 A 8 8 ASP H H 8 8.121 8.131 -0.010 1
1 15 . 14 1 1 A 8 8 ASP CA C 8 54.214 53.056 1.158 1
1 16 . 14 1 1 A 8 8 ASP HA H 8 4.560 4.824 -0.264 1
1 17 . 14 1 1 A 8 8 ASP CB C 8 41.172 41.364 -0.192 1
1 20 . 14 1 1 A 8 8 ASP C C 8 176.082 175.770 0.312 1
1 21 . 14 1 1 A 9 9 ILE N N 9 121.785 119.888 1.897 1
1 22 . 14 1 1 A 9 9 ILE H H 9 8.115 7.433 0.682 1
1 23 . 14 1 1 A 9 9 ILE CA C 9 60.327 59.783 0.544 1
1 24 . 14 1 1 A 9 9 ILE HA H 9 4.083 4.500 -0.417 1
1 25 . 14 1 1 A 9 9 ILE CB C 9 38.394 40.527 -2.133 1
1 38 . 14 1 1 A 9 9 ILE C C 9 175.579 176.014 -0.435 1
1 39 . 14 1 1 A 10 10 ARG N N 10 125.977 124.788 1.189 1
1 40 . 14 1 1 A 10 10 ARG H H 10 8.319 8.820 -0.501 1
1 41 . 14 1 1 A 10 10 ARG CA C 10 54.661 59.699 -5.038 1
1 42 . 14 1 1 A 10 10 ARG HA H 10 4.493 4.368 0.125 1
1 43 . 14 1 1 A 10 10 ARG CB C 10 29.730 30.622 -0.892 1
1 52 . 14 1 1 A 10 10 ARG C C 10 175.511 176.957 -1.446 1
1 53 . 14 1 1 A 11 11 PRO CA C 11 65.595 66.402 -0.807 1
1 54 . 14 1 1 A 11 11 PRO HA H 11 4.064 4.252 -0.188 1
1 55 . 14 1 1 A 11 11 PRO CB C 11 31.690 30.782 0.908 1
1 64 . 14 1 1 A 12 12 SER CA C 12 60.656 61.743 -1.087 1
1 65 . 14 1 1 A 12 12 SER HA H 12 4.194 4.174 0.020 1
1 66 . 14 1 1 A 12 12 SER CB C 12 62.321 62.825 -0.504 1
1 69 . 14 1 1 A 13 13 LYS H H 13 7.510 8.057 -0.547 1
1 70 . 14 1 1 A 13 13 LYS CA C 13 58.585 59.532 -0.947 1
1 71 . 14 1 1 A 13 13 LYS HA H 13 4.186 3.986 0.200 1
1 72 . 14 1 1 A 13 13 LYS CB C 13 32.274 32.285 -0.011 1
1 84 . 14 1 1 A 13 13 LYS C C 13 179.028 178.324 0.704 1
1 85 . 14 1 1 A 14 14 LEU N N 14 121.315 121.494 -0.179 1
1 86 . 14 1 1 A 14 14 LEU H H 14 7.968 7.673 0.295 1
1 87 . 14 1 1 A 14 14 LEU CA C 14 57.648 58.143 -0.495 1
1 88 . 14 1 1 A 14 14 LEU HA H 14 3.889 3.684 0.205 1
1 89 . 14 1 1 A 14 14 LEU CB C 14 42.171 41.382 0.789 1
1 102 . 14 1 1 A 14 14 LEU C C 14 178.689 178.581 0.108 1
1 103 . 14 1 1 A 15 15 LEU N N 15 120.526 119.957 0.569 1
1 104 . 14 1 1 A 15 15 LEU H H 15 8.546 8.250 0.296 1
1 105 . 14 1 1 A 15 15 LEU CA C 15 59.227 58.424 0.803 1
1 106 . 14 1 1 A 15 15 LEU HA H 15 4.038 4.090 -0.052 1
1 107 . 14 1 1 A 15 15 LEU CB C 15 40.993 41.619 -0.626 1
1 120 . 14 1 1 A 15 15 LEU C C 15 178.020 178.754 -0.734 1
1 121 . 14 1 1 A 16 16 THR N N 16 114.667 114.034 0.633 1
1 122 . 14 1 1 A 16 16 THR H H 16 7.945 7.857 0.088 1
1 123 . 14 1 1 A 16 16 THR CA C 16 66.778 66.744 0.034 1
1 124 . 14 1 1 A 16 16 THR HA H 16 4.162 3.977 0.185 1
1 125 . 14 1 1 A 16 16 THR CB C 16 68.914 68.771 0.143 1
1 131 . 14 1 1 A 16 16 THR C C 16 176.419 176.572 -0.153 1
1 132 . 14 1 1 A 17 17 TRP N N 17 122.548 121.263 1.285 1
1 133 . 14 1 1 A 17 17 TRP H H 17 8.242 7.965 0.277 1
1 134 . 14 1 1 A 17 17 TRP CA C 17 63.006 61.455 1.551 1
1 135 . 14 1 1 A 17 17 TRP HA H 17 4.442 4.271 0.171 1
1 136 . 14 1 1 A 17 17 TRP CB C 17 28.530 29.776 -1.246 1
1 151 . 14 1 1 A 17 17 TRP C C 17 178.678 178.279 0.399 1
1 152 . 14 1 1 A 18 18 CYS N N 18 117.202 116.838 0.364 1
1 153 . 14 1 1 A 18 18 CYS H H 18 8.993 8.268 0.725 1
1 154 . 14 1 1 A 18 18 CYS CA C 18 64.830 63.922 0.908 1
1 155 . 14 1 1 A 18 18 CYS HA H 18 3.855 3.918 -0.063 1
1 156 . 14 1 1 A 18 18 CYS CB C 18 27.945 27.144 0.801 1
1 159 . 14 1 1 A 18 18 CYS C C 18 178.411 176.753 1.658 1
1 160 . 14 1 1 A 19 19 GLN N N 19 120.296 119.756 0.540 1
1 161 . 14 1 1 A 19 19 GLN H H 19 8.696 8.606 0.090 1
1 162 . 14 1 1 A 19 19 GLN CA C 19 59.705 58.623 1.082 1
1 163 . 14 1 1 A 19 19 GLN HA H 19 3.654 4.094 -0.440 1
1 164 . 14 1 1 A 19 19 GLN CB C 19 27.820 28.359 -0.539 1
1 173 . 14 1 1 A 19 19 GLN C C 19 177.957 178.889 -0.932 1
1 174 . 14 1 1 A 20 20 GLN N N 20 119.247 120.439 -1.192 1
1 175 . 14 1 1 A 20 20 GLN H H 20 8.306 7.930 0.376 1
1 176 . 14 1 1 A 20 20 GLN CA C 20 58.838 58.946 -0.108 1
1 177 . 14 1 1 A 20 20 GLN HA H 20 4.016 4.022 -0.006 1
1 178 . 14 1 1 A 20 20 GLN CB C 20 28.000 28.474 -0.474 1
1 187 . 14 1 1 A 20 20 GLN C C 20 179.476 178.792 0.684 1
1 188 . 14 1 1 A 21 21 GLN N N 21 113.337 118.566 -5.229 1
1 189 . 14 1 1 A 21 21 GLN H H 21 7.999 7.790 0.209 1
1 190 . 14 1 1 A 21 21 GLN CA C 21 55.909 58.928 -3.019 1
1 191 . 14 1 1 A 21 21 GLN HA H 21 4.043 3.745 0.298 1
1 192 . 14 1 1 A 21 21 GLN CB C 21 27.676 27.766 -0.090 1
1 201 . 14 1 1 A 21 21 GLN C C 21 177.394 178.669 -1.275 1
1 202 . 14 1 1 A 22 22 THR N N 22 103.485 111.890 -8.405 1
1 203 . 14 1 1 A 22 22 THR H H 22 7.119 7.864 -0.745 1
1 204 . 14 1 1 A 22 22 THR CA C 22 61.272 65.698 -4.426 1
1 205 . 14 1 1 A 22 22 THR HA H 22 4.092 3.708 0.384 1
1 206 . 14 1 1 A 22 22 THR CB C 22 69.448 68.210 1.238 1
1 212 . 14 1 1 A 22 22 THR C C 22 174.644 174.826 -0.182 1
1 213 . 14 1 1 A 23 23 GLU N N 23 125.366 122.231 3.135 1
1 214 . 14 1 1 A 23 23 GLU H H 23 6.949 7.810 -0.861 1
1 215 . 14 1 1 A 23 23 GLU CA C 23 58.389 58.553 -0.164 1
1 216 . 14 1 1 A 23 23 GLU HA H 23 3.999 3.968 0.031 1
1 217 . 14 1 1 A 23 23 GLU CB C 23 29.683 29.372 0.311 1
1 223 . 14 1 1 A 23 23 GLU C C 23 177.061 177.325 -0.264 1
1 224 . 14 1 1 A 24 24 GLY N N 24 112.717 114.880 -2.163 1
1 225 . 14 1 1 A 24 24 GLY H H 24 8.732 8.921 -0.189 1
1 226 . 14 1 1 A 24 24 GLY CA C 24 45.326 45.080 0.246 1
1 227 . 14 1 1 A 24 24 GLY HA2 H 24 3.988 3.977 0.011 1
1 228 . 14 1 1 A 24 24 GLY HA3 H 24 3.538 3.979 -0.441 1
1 229 . 14 1 1 A 24 24 GLY C C 24 174.531 174.496 0.035 1
1 230 . 14 1 1 A 25 25 TYR N N 25 120.189 119.736 0.453 1
1 231 . 14 1 1 A 25 25 TYR H H 25 7.488 8.020 -0.532 1
1 232 . 14 1 1 A 25 25 TYR CA C 25 59.028 57.955 1.073 1
1 233 . 14 1 1 A 25 25 TYR HA H 25 3.947 4.368 -0.421 1
1 234 . 14 1 1 A 25 25 TYR CB C 25 37.202 38.809 -1.607 1
1 245 . 14 1 1 A 25 25 TYR C C 25 176.354 175.389 0.965 1
1 246 . 14 1 1 A 26 26 GLN N N 26 125.301 120.768 4.533 1
1 247 . 14 1 1 A 26 26 GLN H H 26 8.877 8.384 0.493 1
1 248 . 14 1 1 A 26 26 GLN CA C 26 56.923 54.693 2.230 1
1 249 . 14 1 1 A 26 26 GLN HA H 26 3.866 4.674 -0.808 1
1 250 . 14 1 1 A 26 26 GLN CB C 26 28.808 30.767 -1.959 1
1 259 . 14 1 1 A 26 26 GLN C C 26 175.582 175.854 -0.272 1
1 260 . 14 1 1 A 27 27 HIS N N 27 111.738 115.843 -4.105 1
1 261 . 14 1 1 A 27 27 HIS H H 27 8.581 8.834 -0.253 1
1 262 . 14 1 1 A 27 27 HIS CA C 27 56.937 56.742 0.195 1
1 263 . 14 1 1 A 27 27 HIS HA H 27 4.174 4.069 0.105 1
1 264 . 14 1 1 A 27 27 HIS CB C 27 26.839 26.921 -0.082 1
1 271 . 14 1 1 A 27 27 HIS C C 27 172.979 174.039 -1.060 1
1 272 . 14 1 1 A 28 28 VAL N N 28 118.229 118.610 -0.381 1
1 273 . 14 1 1 A 28 28 VAL H H 28 7.377 7.617 -0.240 1
1 274 . 14 1 1 A 28 28 VAL CA C 28 61.927 61.549 0.378 1
1 275 . 14 1 1 A 28 28 VAL HA H 28 3.922 4.265 -0.343 1
1 276 . 14 1 1 A 28 28 VAL CB C 28 33.373 33.031 0.342 1
1 286 . 14 1 1 A 28 28 VAL C C 28 174.687 173.448 1.239 1
1 287 . 14 1 1 A 29 29 ASN N N 29 125.832 127.732 -1.900 1
1 288 . 14 1 1 A 29 29 ASN H H 29 8.604 9.060 -0.456 1
1 289 . 14 1 1 A 29 29 ASN CA C 29 52.651 51.750 0.901 1
1 290 . 14 1 1 A 29 29 ASN HA H 29 4.682 5.342 -0.660 1
1 291 . 14 1 1 A 29 29 ASN CB C 29 39.124 40.128 -1.004 1
1 297 . 14 1 1 A 29 29 ASN C C 29 173.380 173.797 -0.417 1
1 298 . 14 1 1 A 30 30 VAL N N 30 125.146 127.339 -2.193 1
1 299 . 14 1 1 A 30 30 VAL H H 30 9.203 8.918 0.285 1
1 300 . 14 1 1 A 30 30 VAL CA C 30 63.838 62.413 1.425 1
1 301 . 14 1 1 A 30 30 VAL HA H 30 3.699 4.196 -0.497 1
1 302 . 14 1 1 A 30 30 VAL CB C 30 31.136 31.763 -0.627 1
1 312 . 14 1 1 A 30 30 VAL C C 30 176.046 176.370 -0.324 1
1 313 . 14 1 1 A 31 31 THR N N 31 118.952 117.834 1.118 1
1 314 . 14 1 1 A 31 31 THR H H 31 8.396 8.852 -0.456 1
1 315 . 14 1 1 A 31 31 THR CA C 31 60.985 61.993 -1.008 1
1 316 . 14 1 1 A 31 31 THR HA H 31 4.316 4.612 -0.296 1
1 317 . 14 1 1 A 31 31 THR CB C 31 70.087 70.254 -0.167 1
1 323 . 14 1 1 A 31 31 THR C C 31 173.296 174.003 -0.707 1
1 324 . 14 1 1 A 32 32 ASP N N 32 120.757 119.877 0.880 1
1 325 . 14 1 1 A 32 32 ASP H H 32 8.078 8.004 0.074 1
1 326 . 14 1 1 A 32 32 ASP CA C 32 53.069 52.508 0.561 1
1 327 . 14 1 1 A 32 32 ASP HA H 32 4.536 5.271 -0.735 1
1 328 . 14 1 1 A 32 32 ASP CB C 32 41.527 43.277 -1.750 1
1 331 . 14 1 1 A 32 32 ASP C C 32 174.931 175.860 -0.929 1
1 332 . 14 1 1 A 33 33 LEU N N 33 117.024 123.001 -5.977 1
1 333 . 14 1 1 A 33 33 LEU H H 33 8.733 8.806 -0.073 1
1 334 . 14 1 1 A 33 33 LEU CA C 33 54.453 54.639 -0.186 1
1 335 . 14 1 1 A 33 33 LEU HA H 33 4.834 5.029 -0.195 1
1 336 . 14 1 1 A 33 33 LEU CB C 33 41.867 41.388 0.479 1
1 349 . 14 1 1 A 33 33 LEU C C 33 174.039 177.246 -3.207 1
1 350 . 14 1 1 A 34 34 THR N N 34 103.873 111.924 -8.051 1
1 351 . 14 1 1 A 34 34 THR H H 34 7.900 8.023 -0.123 1
1 352 . 14 1 1 A 34 34 THR CA C 34 60.434 62.419 -1.985 1
1 353 . 14 1 1 A 34 34 THR HA H 34 4.519 4.693 -0.174 1
1 354 . 14 1 1 A 34 34 THR CB C 34 70.237 70.313 -0.076 1
1 360 . 14 1 1 A 34 34 THR C C 34 175.954 175.629 0.325 1
1 361 . 14 1 1 A 35 35 THR N N 35 118.103 113.202 4.901 1
1 362 . 14 1 1 A 35 35 THR H H 35 9.363 8.052 1.311 1
1 363 . 14 1 1 A 35 35 THR CA C 35 66.422 63.069 3.353 1
1 364 . 14 1 1 A 35 35 THR HA H 35 3.981 4.467 -0.486 1
1 365 . 14 1 1 A 35 35 THR CB C 35 68.720 69.757 -1.037 1
1 371 . 14 1 1 A 35 35 THR C C 35 177.778 176.757 1.021 1
1 372 . 14 1 1 A 36 36 SER N N 36 120.417 116.223 4.194 1
1 373 . 14 1 1 A 36 36 SER H H 36 10.544 8.095 2.449 1
1 374 . 14 1 1 A 36 36 SER CA C 36 61.076 60.733 0.343 1
1 375 . 14 1 1 A 36 36 SER HA H 36 4.395 4.238 0.157 1
1 376 . 14 1 1 A 36 36 SER CB C 36 63.485 63.077 0.408 1
1 379 . 14 1 1 A 36 36 SER C C 36 173.956 175.507 -1.551 1
1 380 . 14 1 1 A 37 37 TRP N N 37 121.387 121.111 0.276 1
1 381 . 14 1 1 A 37 37 TRP H H 37 8.126 8.025 0.101 1
1 382 . 14 1 1 A 37 37 TRP CA C 37 57.689 56.624 1.065 1
1 383 . 14 1 1 A 37 37 TRP HA H 37 4.340 4.994 -0.654 1
1 384 . 14 1 1 A 37 37 TRP CB C 37 28.915 29.829 -0.914 1
1 399 . 14 1 1 A 37 37 TRP C C 37 176.751 177.183 -0.432 1
1 400 . 14 1 1 A 38 38 ARG N N 38 121.787 120.353 1.434 1
1 401 . 14 1 1 A 38 38 ARG H H 38 7.473 8.334 -0.861 1
1 402 . 14 1 1 A 38 38 ARG CA C 38 60.250 58.943 1.307 1
1 403 . 14 1 1 A 38 38 ARG HA H 38 4.065 4.268 -0.203 1
1 404 . 14 1 1 A 38 38 ARG CB C 38 30.807 30.009 0.798 1
1 415 . 14 1 1 A 38 38 ARG C C 38 177.636 178.217 -0.581 1
1 416 . 14 1 1 A 39 39 SER N N 39 110.340 114.114 -3.774 1
1 417 . 14 1 1 A 39 39 SER H H 39 8.665 7.721 0.944 1
1 418 . 14 1 1 A 39 39 SER CA C 39 59.336 59.088 0.248 1
1 419 . 14 1 1 A 39 39 SER HA H 39 4.349 4.454 -0.105 1
1 420 . 14 1 1 A 39 39 SER CB C 39 64.907 63.834 1.073 1
1 423 . 14 1 1 A 39 39 SER C C 39 174.768 174.709 0.059 1
1 424 . 14 1 1 A 40 40 GLY N N 40 109.467 108.864 0.603 1
1 425 . 14 1 1 A 40 40 GLY H H 40 7.549 7.909 -0.360 1
1 426 . 14 1 1 A 40 40 GLY CA C 40 46.347 45.257 1.090 1
1 427 . 14 1 1 A 40 40 GLY HA2 H 40 3.875 3.920 -0.045 1
1 428 . 14 1 1 A 40 40 GLY HA3 H 40 3.915 3.968 -0.053 1
1 429 . 14 1 1 A 40 40 GLY C C 40 173.725 176.000 -2.275 1
1 430 . 14 1 1 A 41 41 LEU N N 41 117.562 121.602 -4.040 1
1 431 . 14 1 1 A 41 41 LEU H H 41 7.287 8.195 -0.908 1
1 432 . 14 1 1 A 41 41 LEU CA C 41 57.482 57.505 -0.023 1
1 433 . 14 1 1 A 41 41 LEU HA H 41 3.882 3.995 -0.113 1
1 434 . 14 1 1 A 41 41 LEU CB C 41 42.615 41.821 0.794 1
1 447 . 14 1 1 A 41 41 LEU C C 41 178.159 178.697 -0.538 1
1 448 . 14 1 1 A 42 42 ALA N N 42 121.758 121.891 -0.133 1
1 449 . 14 1 1 A 42 42 ALA H H 42 8.506 8.103 0.403 1
1 450 . 14 1 1 A 42 42 ALA CA C 42 55.694 55.096 0.598 1
1 451 . 14 1 1 A 42 42 ALA HA H 42 3.582 3.759 -0.177 1
1 452 . 14 1 1 A 42 42 ALA CB C 42 17.039 17.749 -0.710 1
1 456 . 14 1 1 A 42 42 ALA C C 42 178.076 179.447 -1.371 1
1 457 . 14 1 1 A 43 43 LEU N N 43 118.332 119.173 -0.841 1
1 458 . 14 1 1 A 43 43 LEU H H 43 8.933 7.685 1.248 1
1 459 . 14 1 1 A 43 43 LEU CA C 43 57.425 57.919 -0.494 1
1 460 . 14 1 1 A 43 43 LEU HA H 43 4.308 4.343 -0.035 1
1 461 . 14 1 1 A 43 43 LEU CB C 43 42.068 41.689 0.379 1
1 474 . 14 1 1 A 43 43 LEU C C 43 179.198 178.567 0.631 1
1 475 . 14 1 1 A 44 44 CYS N N 44 115.098 117.279 -2.181 1
1 476 . 14 1 1 A 44 44 CYS H H 44 7.607 8.296 -0.689 1
1 477 . 14 1 1 A 44 44 CYS CA C 44 65.664 62.670 2.994 1
1 478 . 14 1 1 A 44 44 CYS HA H 44 4.035 4.154 -0.119 1
1 479 . 14 1 1 A 44 44 CYS CB C 44 27.516 26.552 0.964 1
1 482 . 14 1 1 A 44 44 CYS C C 44 176.222 177.065 -0.843 1
1 483 . 14 1 1 A 45 45 ALA N N 45 121.778 121.739 0.039 1
1 484 . 14 1 1 A 45 45 ALA H H 45 8.435 8.160 0.275 1
1 485 . 14 1 1 A 45 45 ALA CA C 45 55.306 54.791 0.515 1
1 486 . 14 1 1 A 45 45 ALA HA H 45 3.184 3.877 -0.693 1
1 487 . 14 1 1 A 45 45 ALA CB C 45 17.395 17.565 -0.170 1
1 491 . 14 1 1 A 45 45 ALA C C 45 177.510 179.901 -2.391 1
1 492 . 14 1 1 A 46 46 ILE N N 46 116.463 118.255 -1.792 1
1 493 . 14 1 1 A 46 46 ILE H H 46 7.527 7.468 0.059 1
1 494 . 14 1 1 A 46 46 ILE CA C 46 65.137 64.864 0.273 1
1 495 . 14 1 1 A 46 46 ILE HA H 46 3.267 3.594 -0.327 1
1 496 . 14 1 1 A 46 46 ILE CB C 46 37.084 38.044 -0.960 1
1 509 . 14 1 1 A 46 46 ILE C C 46 176.744 178.501 -1.757 1
1 510 . 14 1 1 A 47 47 ILE N N 47 115.676 120.288 -4.612 1
1 511 . 14 1 1 A 47 47 ILE H H 47 7.786 8.023 -0.237 1
1 512 . 14 1 1 A 47 47 ILE CA C 47 66.948 64.991 1.957 1
1 513 . 14 1 1 A 47 47 ILE HA H 47 3.754 3.641 0.113 1
1 514 . 14 1 1 A 47 47 ILE CB C 47 38.335 38.003 0.332 1
1 527 . 14 1 1 A 47 47 ILE C C 47 176.853 178.089 -1.236 1
1 528 . 14 1 1 A 48 48 HIS N N 48 120.066 119.797 0.269 1
1 529 . 14 1 1 A 48 48 HIS H H 48 8.569 8.768 -0.199 1
1 530 . 14 1 1 A 48 48 HIS CA C 48 60.767 60.078 0.689 1
1 531 . 14 1 1 A 48 48 HIS HA H 48 3.918 4.432 -0.514 1
1 532 . 14 1 1 A 48 48 HIS CB C 48 31.245 29.955 1.290 1
1 539 . 14 1 1 A 48 48 HIS C C 48 175.841 176.909 -1.068 1
1 540 . 14 1 1 A 49 49 ARG N N 49 118.781 117.639 1.142 1
1 541 . 14 1 1 A 49 49 ARG H H 49 8.572 8.436 0.136 1
1 542 . 14 1 1 A 49 49 ARG CA C 49 58.152 59.175 -1.023 1
1 543 . 14 1 1 A 49 49 ARG HA H 49 3.680 3.904 -0.224 1
1 544 . 14 1 1 A 49 49 ARG CB C 49 28.454 30.089 -1.635 1
1 555 . 14 1 1 A 49 49 ARG C C 49 177.830 178.938 -1.108 1
1 556 . 14 1 1 A 50 50 PHE N N 50 113.909 117.639 -3.730 1
1 557 . 14 1 1 A 50 50 PHE H H 50 6.900 7.651 -0.751 1
1 558 . 14 1 1 A 50 50 PHE CA C 50 59.885 59.680 0.205 1
1 559 . 14 1 1 A 50 50 PHE HA H 50 4.281 4.251 0.030 1
1 560 . 14 1 1 A 50 50 PHE CB C 50 41.527 39.081 2.446 1
1 573 . 14 1 1 A 50 50 PHE C C 50 176.867 176.010 0.857 1
1 574 . 14 1 1 A 51 51 ARG N N 51 120.652 118.779 1.873 1
1 575 . 14 1 1 A 51 51 ARG H H 51 9.059 8.277 0.782 1
1 576 . 14 1 1 A 51 51 ARG CA C 51 51.499 53.750 -2.251 1
1 577 . 14 1 1 A 51 51 ARG HA H 51 4.942 4.773 0.169 1
1 578 . 14 1 1 A 51 51 ARG CB C 51 30.307 30.624 -0.317 1
1 589 . 14 1 1 A 51 51 ARG C C 51 172.670 174.581 -1.911 1
1 590 . 14 1 1 A 52 52 PRO CA C 52 64.948 64.154 0.794 1
1 591 . 14 1 1 A 52 52 PRO HA H 52 4.343 4.352 -0.009 1
1 592 . 14 1 1 A 52 52 PRO CB C 52 31.091 31.530 -0.439 1
1 601 . 14 1 1 A 52 52 PRO C C 52 177.406 177.859 -0.453 1
1 602 . 14 1 1 A 53 53 GLU N N 53 118.219 118.187 0.032 1
1 603 . 14 1 1 A 53 53 GLU H H 53 9.784 8.235 1.549 1
1 604 . 14 1 1 A 53 53 GLU CA C 53 57.285 59.594 -2.309 1
1 605 . 14 1 1 A 53 53 GLU HA H 53 4.322 4.149 0.173 1
1 606 . 14 1 1 A 53 53 GLU CB C 53 27.771 29.383 -1.612 1
1 612 . 14 1 1 A 53 53 GLU C C 53 177.957 179.222 -1.265 1
1 613 . 14 1 1 A 54 54 LEU N N 54 119.316 118.529 0.787 1
1 614 . 14 1 1 A 54 54 LEU H H 54 8.212 7.521 0.691 1
1 615 . 14 1 1 A 54 54 LEU CA C 54 55.943 57.364 -1.421 1
1 616 . 14 1 1 A 54 54 LEU HA H 54 4.337 4.100 0.237 1
1 617 . 14 1 1 A 54 54 LEU CB C 54 43.122 42.465 0.657 1
1 630 . 14 1 1 A 54 54 LEU C C 54 177.159 177.227 -0.068 1
1 631 . 14 1 1 A 55 55 ILE N N 55 115.493 117.718 -2.225 1
1 632 . 14 1 1 A 55 55 ILE H H 55 6.990 7.818 -0.828 1
1 633 . 14 1 1 A 55 55 ILE CA C 55 59.645 59.603 0.042 1
1 634 . 14 1 1 A 55 55 ILE HA H 55 4.230 4.815 -0.585 1
1 635 . 14 1 1 A 55 55 ILE CB C 55 43.159 41.908 1.251 1
1 648 . 14 1 1 A 55 55 ILE C C 55 173.302 174.486 -1.184 1
1 649 . 14 1 1 A 56 56 ASN N N 56 124.568 124.439 0.129 1
1 650 . 14 1 1 A 56 56 ASN H H 56 8.984 8.848 0.136 1
1 651 . 14 1 1 A 56 56 ASN CA C 56 51.198 51.481 -0.283 1
1 652 . 14 1 1 A 56 56 ASN HA H 56 5.100 5.142 -0.042 1
1 653 . 14 1 1 A 56 56 ASN CB C 56 36.452 39.264 -2.812 1
1 659 . 14 1 1 A 56 56 ASN C C 56 175.902 175.496 0.406 1
1 660 . 14 1 1 A 57 57 PHE N N 57 126.548 126.512 0.036 1
1 661 . 14 1 1 A 57 57 PHE H H 57 7.219 8.748 -1.529 1
1 662 . 14 1 1 A 57 57 PHE CA C 57 62.399 62.537 -0.138 1
1 663 . 14 1 1 A 57 57 PHE HA H 57 3.514 3.858 -0.344 1
1 664 . 14 1 1 A 57 57 PHE CB C 57 39.553 39.740 -0.187 1
1 677 . 14 1 1 A 57 57 PHE C C 57 176.597 176.469 0.128 1
1 678 . 14 1 1 A 58 58 ASP N N 58 116.755 118.331 -1.576 1
1 679 . 14 1 1 A 58 58 ASP H H 58 8.691 8.408 0.283 1
1 680 . 14 1 1 A 58 58 ASP CA C 58 56.635 57.204 -0.569 1
1 681 . 14 1 1 A 58 58 ASP HA H 58 4.324 4.273 0.051 1
1 682 . 14 1 1 A 58 58 ASP CB C 58 40.262 40.387 -0.125 1
1 685 . 14 1 1 A 58 58 ASP C C 58 176.562 178.217 -1.655 1
1 686 . 14 1 1 A 59 59 SER N N 59 112.320 112.286 0.034 1
1 687 . 14 1 1 A 59 59 SER H H 59 7.412 7.764 -0.352 1
1 688 . 14 1 1 A 59 59 SER CA C 59 58.740 61.641 -2.901 1
1 689 . 14 1 1 A 59 59 SER HA H 59 4.365 4.375 -0.010 1
1 690 . 14 1 1 A 59 59 SER CB C 59 64.598 63.442 1.156 1
1 693 . 14 1 1 A 59 59 SER C C 59 174.309 175.328 -1.019 1
1 694 . 14 1 1 A 60 60 LEU N N 60 121.693 122.031 -0.338 1
1 695 . 14 1 1 A 60 60 LEU H H 60 7.176 7.466 -0.290 1
1 696 . 14 1 1 A 60 60 LEU CA C 60 54.593 55.553 -0.960 1
1 697 . 14 1 1 A 60 60 LEU HA H 60 4.196 4.006 0.190 1
1 698 . 14 1 1 A 60 60 LEU CB C 60 40.943 41.948 -1.005 1
1 711 . 14 1 1 A 60 60 LEU C C 60 176.774 176.101 0.673 1
1 712 . 14 1 1 A 61 61 ASN N N 61 121.648 124.134 -2.486 1
1 713 . 14 1 1 A 61 61 ASN H H 61 9.391 8.429 0.962 1
1 714 . 14 1 1 A 61 61 ASN CA C 61 51.763 52.170 -0.407 1
1 715 . 14 1 1 A 61 61 ASN HA H 61 4.721 4.897 -0.176 1
1 716 . 14 1 1 A 61 61 ASN CB C 61 40.025 39.794 0.231 1
1 722 . 14 1 1 A 61 61 ASN C C 61 176.599 176.111 0.488 1
1 723 . 14 1 1 A 62 62 GLU N N 62 126.707 126.068 0.639 1
1 724 . 14 1 1 A 62 62 GLU H H 62 9.255 8.748 0.507 1
1 725 . 14 1 1 A 62 62 GLU CA C 62 58.926 59.373 -0.447 1
1 726 . 14 1 1 A 62 62 GLU HA H 62 3.688 4.003 -0.315 1
1 727 . 14 1 1 A 62 62 GLU CB C 62 29.479 29.110 0.369 1
1 733 . 14 1 1 A 62 62 GLU C C 62 176.196 177.961 -1.765 1
1 734 . 14 1 1 A 63 63 ASP N N 63 116.763 120.267 -3.504 1
1 735 . 14 1 1 A 63 63 ASP H H 63 8.317 8.424 -0.107 1
1 736 . 14 1 1 A 63 63 ASP CA C 63 55.499 56.790 -1.291 1
1 737 . 14 1 1 A 63 63 ASP HA H 63 4.509 4.380 0.129 1
1 738 . 14 1 1 A 63 63 ASP CB C 63 40.697 40.218 0.479 1
1 741 . 14 1 1 A 63 63 ASP C C 63 177.195 177.083 0.112 1
1 742 . 14 1 1 A 64 64 ASP N N 64 123.036 117.548 5.488 1
1 743 . 14 1 1 A 64 64 ASP H H 64 7.422 8.235 -0.813 1
1 744 . 14 1 1 A 64 64 ASP CA C 64 52.760 53.641 -0.881 1
1 745 . 14 1 1 A 64 64 ASP HA H 64 4.949 4.984 -0.035 1
1 746 . 14 1 1 A 64 64 ASP CB C 64 38.920 40.993 -2.073 1
1 749 . 14 1 1 A 64 64 ASP C C 64 174.979 176.214 -1.235 1
1 750 . 14 1 1 A 65 65 ALA N N 65 123.411 122.995 0.416 1
1 751 . 14 1 1 A 65 65 ALA H H 65 7.527 7.850 -0.323 1
1 752 . 14 1 1 A 65 65 ALA CA C 65 55.750 55.427 0.323 1
1 753 . 14 1 1 A 65 65 ALA HA H 65 4.295 3.907 0.388 1
1 754 . 14 1 1 A 65 65 ALA CB C 65 19.889 18.458 1.431 1
1 758 . 14 1 1 A 65 65 ALA C C 65 181.114 179.918 1.196 1
1 759 . 14 1 1 A 66 66 VAL N N 66 119.151 118.443 0.708 1
1 760 . 14 1 1 A 66 66 VAL H H 66 8.305 8.266 0.039 1
1 761 . 14 1 1 A 66 66 VAL CA C 66 67.423 67.104 0.319 1
1 762 . 14 1 1 A 66 66 VAL HA H 66 3.292 3.606 -0.314 1
1 763 . 14 1 1 A 66 66 VAL CB C 66 31.418 31.603 -0.185 1
1 773 . 14 1 1 A 66 66 VAL C C 66 177.471 178.058 -0.587 1
1 774 . 14 1 1 A 67 67 GLU N N 67 117.895 118.952 -1.057 1
1 775 . 14 1 1 A 67 67 GLU H H 67 8.256 8.255 0.001 1
1 776 . 14 1 1 A 67 67 GLU CA C 67 59.831 59.741 0.090 1
1 777 . 14 1 1 A 67 67 GLU HA H 67 3.901 4.003 -0.102 1
1 778 . 14 1 1 A 67 67 GLU CB C 67 28.963 29.427 -0.464 1
1 784 . 14 1 1 A 67 67 GLU C C 67 179.796 179.303 0.493 1
1 785 . 14 1 1 A 68 68 ASN N N 68 119.611 118.292 1.319 1
1 786 . 14 1 1 A 68 68 ASN H H 68 9.019 8.561 0.458 1
1 787 . 14 1 1 A 68 68 ASN CA C 68 55.797 56.559 -0.762 1
1 788 . 14 1 1 A 68 68 ASN HA H 68 4.325 4.349 -0.024 1
1 789 . 14 1 1 A 68 68 ASN CB C 68 37.140 37.657 -0.517 1
1 795 . 14 1 1 A 68 68 ASN C C 68 177.193 178.132 -0.939 1
1 796 . 14 1 1 A 69 69 ASN N N 69 115.555 117.488 -1.933 1
1 797 . 14 1 1 A 69 69 ASN H H 69 7.589 8.326 -0.737 1
1 798 . 14 1 1 A 69 69 ASN CA C 69 57.155 56.160 0.995 1
1 799 . 14 1 1 A 69 69 ASN HA H 69 3.880 4.188 -0.308 1
1 800 . 14 1 1 A 69 69 ASN CB C 69 40.785 38.221 2.564 1
1 806 . 14 1 1 A 69 69 ASN C C 69 175.062 177.357 -2.295 1
1 807 . 14 1 1 A 70 70 GLN N N 70 115.794 119.909 -4.115 1
1 808 . 14 1 1 A 70 70 GLN H H 70 8.058 7.958 0.100 1
1 809 . 14 1 1 A 70 70 GLN CA C 70 58.400 58.943 -0.543 1
1 810 . 14 1 1 A 70 70 GLN HA H 70 3.591 4.316 -0.725 1
1 811 . 14 1 1 A 70 70 GLN CB C 70 29.420 28.559 0.861 1
1 820 . 14 1 1 A 70 70 GLN C C 70 176.954 177.910 -0.956 1
1 821 . 14 1 1 A 71 71 LEU N N 71 118.631 120.864 -2.233 1
1 822 . 14 1 1 A 71 71 LEU H H 71 8.090 8.381 -0.291 1
1 823 . 14 1 1 A 71 71 LEU CA C 71 58.121 58.491 -0.370 1
1 824 . 14 1 1 A 71 71 LEU HA H 71 4.291 4.059 0.232 1
1 825 . 14 1 1 A 71 71 LEU CB C 71 42.100 41.900 0.200 1
1 838 . 14 1 1 A 71 71 LEU C C 71 177.664 178.211 -0.547 1
1 839 . 14 1 1 A 72 72 ALA N N 72 119.977 120.364 -0.387 1
1 840 . 14 1 1 A 72 72 ALA H H 72 7.274 7.985 -0.711 1
1 841 . 14 1 1 A 72 72 ALA CA C 72 55.807 55.056 0.751 1
1 842 . 14 1 1 A 72 72 ALA HA H 72 3.873 4.096 -0.223 1
1 843 . 14 1 1 A 72 72 ALA CB C 72 18.412 18.576 -0.164 1
1 847 . 14 1 1 A 72 72 ALA C C 72 179.676 180.214 -0.538 1
1 848 . 14 1 1 A 73 73 PHE N N 73 115.018 116.359 -1.341 1
1 849 . 14 1 1 A 73 73 PHE H H 73 8.722 8.155 0.567 1
1 850 . 14 1 1 A 73 73 PHE CA C 73 56.889 61.920 -5.031 1
1 851 . 14 1 1 A 73 73 PHE HA H 73 4.848 4.538 0.310 1
1 852 . 14 1 1 A 73 73 PHE CB C 73 37.404 39.177 -1.773 1
1 865 . 14 1 1 A 73 73 PHE C C 73 180.123 177.969 2.154 1
1 866 . 14 1 1 A 74 74 ASP N N 74 122.136 119.359 2.777 1
1 867 . 14 1 1 A 74 74 ASP H H 74 9.262 8.710 0.552 1
1 868 . 14 1 1 A 74 74 ASP CA C 74 57.648 57.667 -0.019 1
1 869 . 14 1 1 A 74 74 ASP HA H 74 4.550 4.432 0.118 1
1 870 . 14 1 1 A 74 74 ASP CB C 74 40.073 41.858 -1.785 1
1 873 . 14 1 1 A 74 74 ASP C C 74 179.818 178.516 1.302 1
1 874 . 14 1 1 A 75 75 VAL N N 75 122.521 119.281 3.240 1
1 875 . 14 1 1 A 75 75 VAL H H 75 9.080 8.362 0.718 1
1 876 . 14 1 1 A 75 75 VAL CA C 75 66.894 66.162 0.732 1
1 877 . 14 1 1 A 75 75 VAL HA H 75 3.611 3.655 -0.044 1
1 878 . 14 1 1 A 75 75 VAL CB C 75 31.943 31.511 0.432 1
1 888 . 14 1 1 A 75 75 VAL C C 75 177.813 178.377 -0.564 1
1 889 . 14 1 1 A 76 76 ALA N N 76 121.109 121.597 -0.488 1
1 890 . 14 1 1 A 76 76 ALA H H 76 8.813 8.352 0.461 1
1 891 . 14 1 1 A 76 76 ALA CA C 76 55.181 55.371 -0.190 1
1 892 . 14 1 1 A 76 76 ALA HA H 76 4.092 4.403 -0.311 1
1 893 . 14 1 1 A 76 76 ALA CB C 76 19.324 18.662 0.662 1
1 897 . 14 1 1 A 76 76 ALA C C 76 180.373 180.146 0.227 1
1 898 . 14 1 1 A 77 77 GLU N N 77 120.309 118.518 1.791 1
1 899 . 14 1 1 A 77 77 GLU H H 77 8.257 7.986 0.271 1
1 900 . 14 1 1 A 77 77 GLU CA C 77 59.818 58.524 1.294 1
1 901 . 14 1 1 A 77 77 GLU HA H 77 3.982 4.242 -0.260 1
1 902 . 14 1 1 A 77 77 GLU CB C 77 30.530 29.785 0.745 1
1 908 . 14 1 1 A 77 77 GLU C C 77 178.591 178.304 0.287 1
1 909 . 14 1 1 A 78 78 ARG N N 78 119.060 119.607 -0.547 1
1 910 . 14 1 1 A 78 78 ARG H H 78 8.325 8.424 -0.099 1
1 911 . 14 1 1 A 78 78 ARG CA C 78 59.232 58.285 0.947 1
1 912 . 14 1 1 A 78 78 ARG HA H 78 4.048 4.220 -0.172 1
1 913 . 14 1 1 A 78 78 ARG CB C 78 31.462 30.478 0.984 1
1 924 . 14 1 1 A 78 78 ARG C C 78 178.327 177.549 0.778 1
1 925 . 14 1 1 A 79 79 GLU N N 79 114.012 117.881 -3.869 1
1 926 . 14 1 1 A 79 79 GLU H H 79 8.878 8.348 0.530 1
1 927 . 14 1 1 A 79 79 GLU CA C 79 56.599 57.952 -1.353 1
1 928 . 14 1 1 A 79 79 GLU HA H 79 4.329 4.367 -0.038 1
1 929 . 14 1 1 A 79 79 GLU CB C 79 28.771 30.698 -1.927 1
1 935 . 14 1 1 A 79 79 GLU C C 79 178.301 178.154 0.147 1
1 936 . 14 1 1 A 80 80 PHE N N 80 113.394 117.127 -3.733 1
1 937 . 14 1 1 A 80 80 PHE H H 80 6.906 7.452 -0.546 1
1 938 . 14 1 1 A 80 80 PHE CA C 80 53.518 58.045 -4.527 1
1 939 . 14 1 1 A 80 80 PHE HA H 80 5.246 4.594 0.652 1
1 940 . 14 1 1 A 80 80 PHE CB C 80 39.910 39.302 0.608 1
1 953 . 14 1 1 A 80 80 PHE C C 80 176.487 176.144 0.343 1
1 954 . 14 1 1 A 81 81 GLY N N 81 108.698 109.129 -0.431 1
1 955 . 14 1 1 A 81 81 GLY H H 81 7.352 8.192 -0.840 1
1 956 . 14 1 1 A 81 81 GLY CA C 81 46.520 46.535 -0.015 1
1 957 . 14 1 1 A 81 81 GLY HA2 H 81 3.975 4.016 -0.041 1
1 958 . 14 1 1 A 81 81 GLY HA3 H 81 3.975 4.023 -0.048 1
1 959 . 14 1 1 A 81 81 GLY C C 81 174.711 174.687 0.024 1
1 960 . 14 1 1 A 82 82 ILE N N 82 122.486 122.866 -0.380 1
1 961 . 14 1 1 A 82 82 ILE H H 82 7.507 8.402 -0.895 1
1 962 . 14 1 1 A 82 82 ILE CA C 82 58.810 58.320 0.490 1
1 963 . 14 1 1 A 82 82 ILE HA H 82 4.285 4.236 0.049 1
1 964 . 14 1 1 A 82 82 ILE CB C 82 39.376 38.232 1.144 1
1 977 . 14 1 1 A 82 82 ILE C C 82 172.836 174.719 -1.883 1
1 978 . 14 1 1 A 83 83 PRO CA C 83 60.989 62.118 -1.129 1
1 979 . 14 1 1 A 83 83 PRO HA H 83 4.589 4.711 -0.122 1
1 980 . 14 1 1 A 83 83 PRO CB C 83 31.107 32.332 -1.225 1
1 989 . 14 1 1 A 84 84 PRO CA C 84 62.860 62.658 0.202 1
1 990 . 14 1 1 A 84 84 PRO HA H 84 4.405 4.740 -0.335 1
1 991 . 14 1 1 A 84 84 PRO CB C 84 32.638 32.681 -0.043 1
1 1000 . 14 1 1 A 84 84 PRO C C 84 177.894 176.281 1.613 1
1 1001 . 14 1 1 A 85 85 VAL N N 85 114.062 114.943 -0.881 1
1 1002 . 14 1 1 A 85 85 VAL H H 85 6.621 7.754 -1.133 1
1 1003 . 14 1 1 A 85 85 VAL CA C 85 61.000 62.268 -1.268 1
1 1004 . 14 1 1 A 85 85 VAL HA H 85 4.080 4.140 -0.060 1
1 1005 . 14 1 1 A 85 85 VAL CB C 85 32.725 32.751 -0.026 1
1 1015 . 14 1 1 A 85 85 VAL C C 85 174.315 175.563 -1.248 1
1 1016 . 14 1 1 A 86 86 THR N N 86 114.774 114.591 0.183 1
1 1017 . 14 1 1 A 86 86 THR H H 86 6.827 7.295 -0.468 1
1 1018 . 14 1 1 A 86 86 THR CA C 86 59.336 59.415 -0.079 1
1 1019 . 14 1 1 A 86 86 THR HA H 86 4.442 4.646 -0.204 1
1 1020 . 14 1 1 A 86 86 THR CB C 86 68.016 71.644 -3.628 1
1 1026 . 14 1 1 A 86 86 THR C C 86 172.724 172.051 0.673 1
1 1027 . 14 1 1 A 87 87 THR N N 87 109.655 115.294 -5.639 1
1 1028 . 14 1 1 A 87 87 THR H H 87 8.313 8.334 -0.021 1
1 1029 . 14 1 1 A 87 87 THR CA C 87 59.870 59.841 0.029 1
1 1030 . 14 1 1 A 87 87 THR HA H 87 5.000 4.743 0.257 1
1 1031 . 14 1 1 A 87 87 THR CB C 87 72.527 70.975 1.552 1
1 1037 . 14 1 1 A 87 87 THR C C 87 176.440 175.787 0.653 1
1 1038 . 14 1 1 A 88 88 GLY N N 88 110.531 110.614 -0.083 1
1 1039 . 14 1 1 A 88 88 GLY H H 88 9.655 9.076 0.579 1
1 1040 . 14 1 1 A 88 88 GLY CA C 88 49.124 47.707 1.417 1
1 1041 . 14 1 1 A 88 88 GLY HA2 H 88 4.115 4.000 0.115 1
1 1042 . 14 1 1 A 88 88 GLY HA3 H 88 3.755 4.106 -0.351 1
1 1043 . 14 1 1 A 88 88 GLY C C 88 175.154 175.830 -0.676 1
1 1044 . 14 1 1 A 89 89 LYS N N 89 119.606 121.821 -2.215 1
1 1045 . 14 1 1 A 89 89 LYS H H 89 8.542 8.110 0.432 1
1 1046 . 14 1 1 A 89 89 LYS CA C 89 59.687 59.657 0.030 1
1 1047 . 14 1 1 A 89 89 LYS HA H 89 4.030 4.004 0.026 1
1 1048 . 14 1 1 A 89 89 LYS CB C 89 32.733 32.341 0.392 1
1 1060 . 14 1 1 A 89 89 LYS C C 89 178.921 178.778 0.143 1
1 1061 . 14 1 1 A 90 90 GLU N N 90 118.992 119.336 -0.344 1
1 1062 . 14 1 1 A 90 90 GLU H H 90 7.610 7.728 -0.118 1
1 1063 . 14 1 1 A 90 90 GLU CA C 90 59.238 59.482 -0.244 1
1 1064 . 14 1 1 A 90 90 GLU HA H 90 4.008 4.021 -0.013 1
1 1065 . 14 1 1 A 90 90 GLU CB C 90 29.946 29.266 0.680 1
1 1071 . 14 1 1 A 90 90 GLU C C 90 179.366 178.768 0.598 1
1 1072 . 14 1 1 A 91 91 MET N N 91 120.109 119.614 0.495 1
1 1073 . 14 1 1 A 91 91 MET H H 91 8.468 8.315 0.153 1
1 1074 . 14 1 1 A 91 91 MET CA C 91 57.606 58.081 -0.475 1
1 1075 . 14 1 1 A 91 91 MET HA H 91 4.355 4.299 0.056 1
1 1076 . 14 1 1 A 91 91 MET CB C 91 32.364 32.630 -0.266 1
1 1086 . 14 1 1 A 91 91 MET C C 91 177.168 178.264 -1.096 1
1 1087 . 14 1 1 A 92 92 ALA N N 92 115.912 121.995 -6.083 1
1 1088 . 14 1 1 A 92 92 ALA H H 92 7.876 8.311 -0.435 1
1 1089 . 14 1 1 A 92 92 ALA CA C 92 53.278 53.800 -0.522 1
1 1090 . 14 1 1 A 92 92 ALA HA H 92 4.316 4.223 0.093 1
1 1091 . 14 1 1 A 92 92 ALA CB C 92 20.275 18.387 1.888 1
1 1095 . 14 1 1 A 92 92 ALA C C 92 178.672 178.906 -0.234 1
1 1096 . 14 1 1 A 93 93 SER N N 93 111.760 112.546 -0.786 1
1 1097 . 14 1 1 A 93 93 SER H H 93 7.431 7.490 -0.059 1
1 1098 . 14 1 1 A 93 93 SER CA C 93 58.584 61.356 -2.772 1
1 1099 . 14 1 1 A 93 93 SER HA H 93 4.471 4.432 0.039 1
1 1100 . 14 1 1 A 93 93 SER CB C 93 64.582 64.165 0.417 1
1 1103 . 14 1 1 A 93 93 SER C C 93 173.576 175.123 -1.547 1
1 1104 . 14 1 1 A 94 94 ALA N N 94 123.381 121.836 1.545 1
1 1105 . 14 1 1 A 94 94 ALA H H 94 7.903 7.547 0.356 1
1 1106 . 14 1 1 A 94 94 ALA CA C 94 52.760 52.829 -0.069 1
1 1107 . 14 1 1 A 94 94 ALA HA H 94 4.267 4.205 0.062 1
1 1108 . 14 1 1 A 94 94 ALA CB C 94 18.364 19.068 -0.704 1
1 1112 . 14 1 1 A 94 94 ALA C C 94 177.611 178.191 -0.580 1
1 1113 . 14 1 1 A 95 95 GLN N N 95 120.874 123.135 -2.261 1
1 1114 . 14 1 1 A 95 95 GLN H H 95 8.305 8.743 -0.438 1
1 1115 . 14 1 1 A 95 95 GLN CA C 95 56.821 58.490 -1.669 1
1 1116 . 14 1 1 A 95 95 GLN HA H 95 4.185 4.147 0.038 1
1 1117 . 14 1 1 A 95 95 GLN CB C 95 29.052 28.050 1.002 1
1 1126 . 14 1 1 A 95 95 GLN C C 95 175.975 175.755 0.220 1
1 1127 . 14 1 1 A 96 96 GLU N N 96 120.251 119.353 0.898 1
1 1128 . 14 1 1 A 96 96 GLU H H 96 8.402 7.893 0.509 1
1 1129 . 14 1 1 A 96 96 GLU CA C 96 54.378 53.174 1.204 1
1 1130 . 14 1 1 A 96 96 GLU HA H 96 4.537 4.779 -0.242 1
1 1131 . 14 1 1 A 96 96 GLU CB C 96 30.216 32.021 -1.805 1
1 1137 . 14 1 1 A 96 96 GLU C C 96 173.618 173.981 -0.363 1
1 1138 . 14 1 1 A 97 97 PRO CA C 97 62.763 62.361 0.402 1
1 1139 . 14 1 1 A 97 97 PRO HA H 97 4.362 4.626 -0.264 1
1 1140 . 14 1 1 A 97 97 PRO CB C 97 32.356 32.832 -0.476 1
1 1149 . 14 1 1 A 97 97 PRO C C 97 174.841 175.701 -0.860 1
1 1150 . 14 1 1 A 98 98 ASP N N 98 120.272 122.082 -1.810 1
1 1151 . 14 1 1 A 98 98 ASP H H 98 8.396 8.643 -0.247 1
1 1152 . 14 1 1 A 98 98 ASP CA C 98 54.555 53.360 1.195 1
1 1153 . 14 1 1 A 98 98 ASP HA H 98 4.409 4.680 -0.271 1
1 1154 . 14 1 1 A 98 98 ASP CB C 98 42.248 40.446 1.802 1
1 1157 . 14 1 1 A 98 98 ASP C C 98 176.253 176.684 -0.431 1
1 1158 . 14 1 1 A 99 99 LYS N N 99 126.808 126.983 -0.175 1
1 1159 . 14 1 1 A 99 99 LYS H H 99 8.454 8.566 -0.112 1
1 1160 . 14 1 1 A 99 99 LYS CA C 99 60.158 59.562 0.596 1
1 1161 . 14 1 1 A 99 99 LYS HA H 99 3.705 3.991 -0.286 1
1 1162 . 14 1 1 A 99 99 LYS CB C 99 32.832 32.212 0.620 1
1 1174 . 14 1 1 A 99 99 LYS C C 99 177.621 178.579 -0.958 1
1 1175 . 14 1 1 A 100 100 LEU N N 100 118.450 121.964 -3.514 1
1 1176 . 14 1 1 A 100 100 LEU H H 100 8.160 7.805 0.355 1
1 1177 . 14 1 1 A 100 100 LEU CA C 100 58.094 58.293 -0.199 1
1 1178 . 14 1 1 A 100 100 LEU HA H 100 4.020 4.035 -0.015 1
1 1179 . 14 1 1 A 100 100 LEU CB C 100 40.800 41.909 -1.109 1
1 1192 . 14 1 1 A 100 100 LEU C C 100 179.776 178.189 1.587 1
1 1193 . 14 1 1 A 101 101 SER N N 101 115.644 113.912 1.732 1
1 1194 . 14 1 1 A 101 101 SER H H 101 8.047 8.308 -0.261 1
1 1195 . 14 1 1 A 101 101 SER CA C 101 61.765 61.622 0.143 1
1 1196 . 14 1 1 A 101 101 SER HA H 101 4.174 4.038 0.136 1
1 1197 . 14 1 1 A 101 101 SER CB C 101 62.609 63.159 -0.550 1
1 1200 . 14 1 1 A 101 101 SER C C 101 176.476 176.903 -0.427 1
1 1201 . 14 1 1 A 102 102 MET N N 102 120.653 119.068 1.585 1
1 1202 . 14 1 1 A 102 102 MET H H 102 8.027 8.170 -0.143 1
1 1203 . 14 1 1 A 102 102 MET CA C 102 56.380 58.264 -1.884 1
1 1204 . 14 1 1 A 102 102 MET HA H 102 4.508 4.140 0.368 1
1 1205 . 14 1 1 A 102 102 MET CB C 102 30.731 32.634 -1.903 1
1 1215 . 14 1 1 A 102 102 MET C C 102 178.903 178.559 0.344 1
1 1216 . 14 1 1 A 103 103 VAL N N 103 119.836 119.740 0.096 1
1 1217 . 14 1 1 A 103 103 VAL H H 103 8.556 7.855 0.701 1
1 1218 . 14 1 1 A 103 103 VAL CA C 103 67.049 66.752 0.297 1
1 1219 . 14 1 1 A 103 103 VAL HA H 103 3.370 3.562 -0.192 1
1 1220 . 14 1 1 A 103 103 VAL CB C 103 31.583 31.441 0.142 1
1 1230 . 14 1 1 A 103 103 VAL C C 103 179.225 177.820 1.405 1
1 1231 . 14 1 1 A 104 104 MET N N 104 120.390 119.363 1.027 1
1 1232 . 14 1 1 A 104 104 MET H H 104 8.112 8.650 -0.538 1
1 1233 . 14 1 1 A 104 104 MET CA C 104 58.991 58.418 0.573 1
1 1234 . 14 1 1 A 104 104 MET HA H 104 4.047 4.234 -0.187 1
1 1235 . 14 1 1 A 104 104 MET CB C 104 31.979 32.635 -0.656 1
1 1245 . 14 1 1 A 104 104 MET C C 104 178.210 178.150 0.060 1
1 1246 . 14 1 1 A 105 105 TYR N N 105 120.956 121.925 -0.969 1
1 1247 . 14 1 1 A 105 105 TYR H H 105 8.185 7.852 0.333 1
1 1248 . 14 1 1 A 105 105 TYR CA C 105 61.449 61.517 -0.068 1
1 1249 . 14 1 1 A 105 105 TYR HA H 105 4.317 4.155 0.162 1
1 1250 . 14 1 1 A 105 105 TYR CB C 105 40.259 38.964 1.295 1
1 1261 . 14 1 1 A 105 105 TYR C C 105 177.805 177.261 0.544 1
1 1262 . 14 1 1 A 106 106 LEU N N 106 116.468 120.747 -4.279 1
1 1263 . 14 1 1 A 106 106 LEU H H 106 9.088 8.624 0.464 1
1 1264 . 14 1 1 A 106 106 LEU CA C 106 57.744 57.819 -0.075 1
1 1265 . 14 1 1 A 106 106 LEU HA H 106 4.139 4.026 0.113 1
1 1266 . 14 1 1 A 106 106 LEU CB C 106 42.285 41.269 1.016 1
1 1279 . 14 1 1 A 106 106 LEU C C 106 180.758 178.783 1.975 1
1 1280 . 14 1 1 A 107 107 SER N N 107 114.570 114.301 0.269 1
1 1281 . 14 1 1 A 107 107 SER H H 107 8.338 8.288 0.050 1
1 1282 . 14 1 1 A 107 107 SER CA C 107 63.030 62.151 0.879 1
1 1283 . 14 1 1 A 107 107 SER HA H 107 4.016 4.081 -0.065 1
1 1284 . 14 1 1 A 107 107 SER CB C 107 62.866 62.698 0.168 1
1 1287 . 14 1 1 A 107 107 SER C C 107 175.377 176.523 -1.146 1
1 1288 . 14 1 1 A 108 108 LYS N N 108 120.221 121.307 -1.086 1
1 1289 . 14 1 1 A 108 108 LYS H H 108 7.522 7.534 -0.012 1
1 1290 . 14 1 1 A 108 108 LYS CA C 108 58.870 58.786 0.084 1
1 1291 . 14 1 1 A 108 108 LYS HA H 108 3.910 3.767 0.143 1
1 1292 . 14 1 1 A 108 108 LYS CB C 108 31.719 31.855 -0.136 1
1 1304 . 14 1 1 A 108 108 LYS C C 108 179.587 179.097 0.490 1
1 1305 . 14 1 1 A 109 109 PHE N N 109 118.900 119.619 -0.719 1
1 1306 . 14 1 1 A 109 109 PHE H H 109 7.282 7.701 -0.419 1
1 1307 . 14 1 1 A 109 109 PHE CA C 109 61.501 60.087 1.414 1
1 1308 . 14 1 1 A 109 109 PHE HA H 109 3.550 3.701 -0.151 1
1 1309 . 14 1 1 A 109 109 PHE CB C 109 38.201 38.413 -0.212 1
1 1322 . 14 1 1 A 109 109 PHE C C 109 176.181 177.597 -1.416 1
1 1323 . 14 1 1 A 110 110 TYR N N 110 120.089 118.897 1.192 1
1 1324 . 14 1 1 A 110 110 TYR H H 110 7.417 8.442 -1.025 1
1 1325 . 14 1 1 A 110 110 TYR CA C 110 60.263 61.651 -1.388 1
1 1326 . 14 1 1 A 110 110 TYR HA H 110 2.584 3.230 -0.646 1
1 1327 . 14 1 1 A 110 110 TYR CB C 110 38.138 38.210 -0.072 1
1 1338 . 14 1 1 A 110 110 TYR C C 110 176.298 176.964 -0.666 1
1 1339 . 14 1 1 A 111 111 GLU N N 111 115.750 118.199 -2.449 1
1 1340 . 14 1 1 A 111 111 GLU H H 111 7.899 8.126 -0.227 1
1 1341 . 14 1 1 A 111 111 GLU CA C 111 58.712 58.586 0.126 1
1 1342 . 14 1 1 A 111 111 GLU HA H 111 3.528 3.833 -0.305 1
1 1343 . 14 1 1 A 111 111 GLU CB C 111 29.429 29.557 -0.128 1
1 1349 . 14 1 1 A 111 111 GLU C C 111 178.367 178.396 -0.029 1
1 1350 . 14 1 1 A 112 112 LEU N N 112 118.646 121.580 -2.934 1
1 1351 . 14 1 1 A 112 112 LEU H H 112 6.922 7.740 -0.818 1
1 1352 . 14 1 1 A 112 112 LEU CA C 112 57.107 57.847 -0.740 1
1 1353 . 14 1 1 A 112 112 LEU HA H 112 3.775 3.656 0.119 1
1 1354 . 14 1 1 A 112 112 LEU CB C 112 42.499 41.038 1.461 1
1 1367 . 14 1 1 A 112 112 LEU C C 112 178.820 178.099 0.721 1
1 1368 . 14 1 1 A 113 113 PHE N N 113 114.884 115.129 -0.245 1
1 1369 . 14 1 1 A 113 113 PHE H H 113 7.723 7.494 0.229 1
1 1370 . 14 1 1 A 113 113 PHE CA C 113 57.108 59.756 -2.648 1
1 1371 . 14 1 1 A 113 113 PHE HA H 113 4.495 4.152 0.343 1
1 1372 . 14 1 1 A 113 113 PHE CB C 113 38.324 39.977 -1.653 1
1 1385 . 14 1 1 A 113 113 PHE C C 113 177.445 176.433 1.012 1
1 1386 . 14 1 1 A 114 114 ARG N N 114 119.913 117.896 2.017 1
1 1387 . 14 1 1 A 114 114 ARG H H 114 7.840 7.944 -0.104 1
1 1388 . 14 1 1 A 114 114 ARG CA C 114 57.747 55.646 2.101 1
1 1389 . 14 1 1 A 114 114 ARG HA H 114 4.164 4.408 -0.244 1
1 1390 . 14 1 1 A 114 114 ARG CB C 114 28.994 30.600 -1.606 1
1 1399 . 14 1 1 A 114 114 ARG C C 114 177.051 175.608 1.443 1
1 1400 . 14 1 1 A 115 115 GLY N N 115 108.376 113.929 -5.553 1
1 1401 . 14 1 1 A 115 115 GLY H H 115 8.070 9.020 -0.950 1
1 1402 . 14 1 1 A 115 115 GLY CA C 115 45.201 47.017 -1.816 1
1 1403 . 14 1 1 A 115 115 GLY HA2 H 115 3.873 3.818 0.055 1
1 1404 . 14 1 1 A 115 115 GLY HA3 H 115 3.988 3.886 0.102 1
1 1405 . 14 1 1 A 115 115 GLY C C 115 173.987 173.693 0.294 1
1 1406 . 14 1 1 A 116 116 THR N N 116 116.618 117.570 -0.952 1
1 1407 . 14 1 1 A 116 116 THR H H 116 7.858 7.502 0.356 1
1 1408 . 14 1 1 A 116 116 THR CA C 116 60.032 61.578 -1.546 1
1 1409 . 14 1 1 A 116 116 THR HA H 116 4.620 4.294 0.326 1
1 1410 . 14 1 1 A 116 116 THR CB C 116 70.082 69.278 0.804 1
1 1416 . 14 1 1 A 116 116 THR C C 116 172.615 172.829 -0.214 1
1 1417 . 14 1 1 A 117 117 PRO CA C 117 63.086 62.151 0.935 1
1 1418 . 14 1 1 A 117 117 PRO HA H 117 4.451 4.548 -0.097 1
1 1419 . 14 1 1 A 117 117 PRO CB C 117 32.220 32.848 -0.628 1
1 1428 . 14 1 1 A 117 117 PRO C C 117 176.812 176.443 0.369 1
1 1429 . 14 1 1 A 118 118 LEU N N 118 122.695 123.248 -0.553 1
1 1430 . 14 1 1 A 118 118 LEU H H 118 8.424 8.256 0.168 1
1 1431 . 14 1 1 A 118 118 LEU CA C 118 55.266 55.302 -0.036 1
1 1432 . 14 1 1 A 118 118 LEU HA H 118 4.276 4.150 0.126 1
1 1433 . 14 1 1 A 118 118 LEU CB C 118 42.339 41.936 0.403 1
1 1446 . 14 1 1 A 118 118 LEU C C 118 177.027 176.325 0.702 1
1 1447 . 14 1 1 A 119 119 ARG N N 119 122.979 125.128 -2.149 1
1 1448 . 14 1 1 A 119 119 ARG H H 119 8.250 8.740 -0.490 1
1 1449 . 14 1 1 A 119 119 ARG CA C 119 53.688 52.662 1.026 1
1 1450 . 14 1 1 A 119 119 ARG HA H 119 4.644 5.004 -0.360 1
1 1451 . 14 1 1 A 119 119 ARG CB C 119 30.469 31.777 -1.308 1
1 1460 . 14 1 1 A 119 119 ARG C C 119 174.019 174.061 -0.042 1
1 1461 . 14 1 1 A 120 120 PRO CA C 120 63.366 62.296 1.070 1
1 1462 . 14 1 1 A 120 120 PRO HA H 120 4.440 4.638 -0.198 1
1 1463 . 14 1 1 A 120 120 PRO CB C 120 31.958 29.580 2.378 1
1 1472 . 14 1 1 A 120 120 PRO C C 120 176.104 176.440 -0.336 1
1 1 . 15 1 1 A 6 6 SER CA C 6 58.867 57.598 1.269 1
1 2 . 15 1 1 A 6 6 SER HA H 6 4.432 4.897 -0.465 1
1 3 . 15 1 1 A 6 6 SER CB C 6 63.603 66.319 -2.716 1
1 6 . 15 1 1 A 6 6 SER C C 6 175.018 173.684 1.334 1
1 7 . 15 1 1 A 7 7 GLY N N 7 110.530 111.748 -1.218 1
1 8 . 15 1 1 A 7 7 GLY H H 7 8.382 8.439 -0.057 1
1 9 . 15 1 1 A 7 7 GLY CA C 7 45.311 44.559 0.752 1
1 10 . 15 1 1 A 7 7 GLY HA2 H 7 3.922 4.213 -0.291 1
1 11 . 15 1 1 A 7 7 GLY HA3 H 7 3.922 4.214 -0.292 1
1 12 . 15 1 1 A 7 7 GLY C C 7 173.740 172.616 1.124 1
1 13 . 15 1 1 A 8 8 ASP N N 8 120.471 121.938 -1.467 1
1 14 . 15 1 1 A 8 8 ASP H H 8 8.121 8.633 -0.512 1
1 15 . 15 1 1 A 8 8 ASP CA C 8 54.214 54.475 -0.261 1
1 16 . 15 1 1 A 8 8 ASP HA H 8 4.560 4.651 -0.091 1
1 17 . 15 1 1 A 8 8 ASP CB C 8 41.172 41.887 -0.715 1
1 20 . 15 1 1 A 8 8 ASP C C 8 176.082 176.173 -0.091 1
1 21 . 15 1 1 A 9 9 ILE N N 9 121.785 124.553 -2.768 1
1 22 . 15 1 1 A 9 9 ILE H H 9 8.115 8.799 -0.684 1
1 23 . 15 1 1 A 9 9 ILE CA C 9 60.327 60.091 0.236 1
1 24 . 15 1 1 A 9 9 ILE HA H 9 4.083 4.559 -0.476 1
1 25 . 15 1 1 A 9 9 ILE CB C 9 38.394 39.039 -0.645 1
1 38 . 15 1 1 A 9 9 ILE C C 9 175.579 176.340 -0.761 1
1 39 . 15 1 1 A 10 10 ARG N N 10 125.977 125.079 0.898 1
1 40 . 15 1 1 A 10 10 ARG H H 10 8.319 9.052 -0.733 1
1 41 . 15 1 1 A 10 10 ARG CA C 10 54.661 60.386 -5.725 1
1 42 . 15 1 1 A 10 10 ARG HA H 10 4.493 4.166 0.327 1
1 43 . 15 1 1 A 10 10 ARG CB C 10 29.730 30.429 -0.699 1
1 52 . 15 1 1 A 10 10 ARG C C 10 175.511 176.505 -0.994 1
1 53 . 15 1 1 A 11 11 PRO CA C 11 65.595 66.393 -0.798 1
1 54 . 15 1 1 A 11 11 PRO HA H 11 4.064 4.246 -0.182 1
1 55 . 15 1 1 A 11 11 PRO CB C 11 31.690 30.774 0.916 1
1 64 . 15 1 1 A 12 12 SER CA C 12 60.656 61.899 -1.243 1
1 65 . 15 1 1 A 12 12 SER HA H 12 4.194 4.150 0.044 1
1 66 . 15 1 1 A 12 12 SER CB C 12 62.321 62.999 -0.678 1
1 69 . 15 1 1 A 13 13 LYS H H 13 7.510 7.994 -0.484 1
1 70 . 15 1 1 A 13 13 LYS CA C 13 58.585 59.874 -1.289 1
1 71 . 15 1 1 A 13 13 LYS HA H 13 4.186 4.011 0.175 1
1 72 . 15 1 1 A 13 13 LYS CB C 13 32.274 32.232 0.042 1
1 84 . 15 1 1 A 13 13 LYS C C 13 179.028 178.428 0.600 1
1 85 . 15 1 1 A 14 14 LEU N N 14 121.315 120.557 0.758 1
1 86 . 15 1 1 A 14 14 LEU H H 14 7.968 7.762 0.206 1
1 87 . 15 1 1 A 14 14 LEU CA C 14 57.648 58.400 -0.752 1
1 88 . 15 1 1 A 14 14 LEU HA H 14 3.889 3.843 0.046 1
1 89 . 15 1 1 A 14 14 LEU CB C 14 42.171 41.506 0.665 1
1 102 . 15 1 1 A 14 14 LEU C C 14 178.689 178.675 0.014 1
1 103 . 15 1 1 A 15 15 LEU N N 15 120.526 119.875 0.651 1
1 104 . 15 1 1 A 15 15 LEU H H 15 8.546 8.285 0.261 1
1 105 . 15 1 1 A 15 15 LEU CA C 15 59.227 58.381 0.846 1
1 106 . 15 1 1 A 15 15 LEU HA H 15 4.038 4.194 -0.156 1
1 107 . 15 1 1 A 15 15 LEU CB C 15 40.993 41.526 -0.533 1
1 120 . 15 1 1 A 15 15 LEU C C 15 178.020 178.818 -0.798 1
1 121 . 15 1 1 A 16 16 THR N N 16 114.667 114.735 -0.068 1
1 122 . 15 1 1 A 16 16 THR H H 16 7.945 8.043 -0.098 1
1 123 . 15 1 1 A 16 16 THR CA C 16 66.778 67.124 -0.346 1
1 124 . 15 1 1 A 16 16 THR HA H 16 4.162 4.130 0.032 1
1 125 . 15 1 1 A 16 16 THR CB C 16 68.914 68.622 0.292 1
1 131 . 15 1 1 A 16 16 THR C C 16 176.419 176.445 -0.026 1
1 132 . 15 1 1 A 17 17 TRP N N 17 122.548 121.696 0.852 1
1 133 . 15 1 1 A 17 17 TRP H H 17 8.242 8.435 -0.193 1
1 134 . 15 1 1 A 17 17 TRP CA C 17 63.006 61.361 1.645 1
1 135 . 15 1 1 A 17 17 TRP HA H 17 4.442 4.338 0.104 1
1 136 . 15 1 1 A 17 17 TRP CB C 17 28.530 29.581 -1.051 1
1 151 . 15 1 1 A 17 17 TRP C C 17 178.678 178.824 -0.146 1
1 152 . 15 1 1 A 18 18 CYS N N 18 117.202 117.246 -0.044 1
1 153 . 15 1 1 A 18 18 CYS H H 18 8.993 8.507 0.486 1
1 154 . 15 1 1 A 18 18 CYS CA C 18 64.830 63.853 0.977 1
1 155 . 15 1 1 A 18 18 CYS HA H 18 3.855 3.915 -0.060 1
1 156 . 15 1 1 A 18 18 CYS CB C 18 27.945 27.104 0.841 1
1 159 . 15 1 1 A 18 18 CYS C C 18 178.411 177.094 1.317 1
1 160 . 15 1 1 A 19 19 GLN N N 19 120.296 119.757 0.539 1
1 161 . 15 1 1 A 19 19 GLN H H 19 8.696 8.536 0.160 1
1 162 . 15 1 1 A 19 19 GLN CA C 19 59.705 59.075 0.630 1
1 163 . 15 1 1 A 19 19 GLN HA H 19 3.654 4.186 -0.532 1
1 164 . 15 1 1 A 19 19 GLN CB C 19 27.820 28.286 -0.466 1
1 173 . 15 1 1 A 19 19 GLN C C 19 177.957 178.824 -0.867 1
1 174 . 15 1 1 A 20 20 GLN N N 20 119.247 119.681 -0.434 1
1 175 . 15 1 1 A 20 20 GLN H H 20 8.306 7.747 0.559 1
1 176 . 15 1 1 A 20 20 GLN CA C 20 58.838 58.903 -0.065 1
1 177 . 15 1 1 A 20 20 GLN HA H 20 4.016 4.006 0.010 1
1 178 . 15 1 1 A 20 20 GLN CB C 20 28.000 28.325 -0.325 1
1 187 . 15 1 1 A 20 20 GLN C C 20 179.476 178.901 0.575 1
1 188 . 15 1 1 A 21 21 GLN N N 21 113.337 118.703 -5.366 1
1 189 . 15 1 1 A 21 21 GLN H H 21 7.999 7.652 0.347 1
1 190 . 15 1 1 A 21 21 GLN CA C 21 55.909 58.997 -3.088 1
1 191 . 15 1 1 A 21 21 GLN HA H 21 4.043 3.772 0.271 1
1 192 . 15 1 1 A 21 21 GLN CB C 21 27.676 27.893 -0.217 1
1 201 . 15 1 1 A 21 21 GLN C C 21 177.394 178.949 -1.555 1
1 202 . 15 1 1 A 22 22 THR N N 22 103.485 111.951 -8.466 1
1 203 . 15 1 1 A 22 22 THR H H 22 7.119 8.132 -1.013 1
1 204 . 15 1 1 A 22 22 THR CA C 22 61.272 65.811 -4.539 1
1 205 . 15 1 1 A 22 22 THR HA H 22 4.092 4.310 -0.218 1
1 206 . 15 1 1 A 22 22 THR CB C 22 69.448 68.583 0.865 1
1 212 . 15 1 1 A 22 22 THR C C 22 174.644 174.894 -0.250 1
1 213 . 15 1 1 A 23 23 GLU N N 23 125.366 122.277 3.089 1
1 214 . 15 1 1 A 23 23 GLU H H 23 6.949 8.015 -1.066 1
1 215 . 15 1 1 A 23 23 GLU CA C 23 58.389 58.523 -0.134 1
1 216 . 15 1 1 A 23 23 GLU HA H 23 3.999 3.937 0.062 1
1 217 . 15 1 1 A 23 23 GLU CB C 23 29.683 29.508 0.175 1
1 223 . 15 1 1 A 23 23 GLU C C 23 177.061 177.287 -0.226 1
1 224 . 15 1 1 A 24 24 GLY N N 24 112.717 115.144 -2.427 1
1 225 . 15 1 1 A 24 24 GLY H H 24 8.732 8.913 -0.181 1
1 226 . 15 1 1 A 24 24 GLY CA C 24 45.326 44.981 0.345 1
1 227 . 15 1 1 A 24 24 GLY HA2 H 24 3.988 3.819 0.169 1
1 228 . 15 1 1 A 24 24 GLY HA3 H 24 3.538 3.884 -0.346 1
1 229 . 15 1 1 A 24 24 GLY C C 24 174.531 174.154 0.377 1
1 230 . 15 1 1 A 25 25 TYR N N 25 120.189 119.689 0.500 1
1 231 . 15 1 1 A 25 25 TYR H H 25 7.488 7.483 0.005 1
1 232 . 15 1 1 A 25 25 TYR CA C 25 59.028 58.178 0.850 1
1 233 . 15 1 1 A 25 25 TYR HA H 25 3.947 4.328 -0.381 1
1 234 . 15 1 1 A 25 25 TYR CB C 25 37.202 38.664 -1.462 1
1 245 . 15 1 1 A 25 25 TYR C C 25 176.354 175.578 0.776 1
1 246 . 15 1 1 A 26 26 GLN N N 26 125.301 122.194 3.107 1
1 247 . 15 1 1 A 26 26 GLN H H 26 8.877 8.573 0.304 1
1 248 . 15 1 1 A 26 26 GLN CA C 26 56.923 55.346 1.577 1
1 249 . 15 1 1 A 26 26 GLN HA H 26 3.866 4.465 -0.599 1
1 250 . 15 1 1 A 26 26 GLN CB C 26 28.808 30.152 -1.344 1
1 259 . 15 1 1 A 26 26 GLN C C 26 175.582 175.862 -0.280 1
1 260 . 15 1 1 A 27 27 HIS N N 27 111.738 116.075 -4.337 1
1 261 . 15 1 1 A 27 27 HIS H H 27 8.581 8.370 0.211 1
1 262 . 15 1 1 A 27 27 HIS CA C 27 56.937 56.926 0.011 1
1 263 . 15 1 1 A 27 27 HIS HA H 27 4.174 4.004 0.170 1
1 264 . 15 1 1 A 27 27 HIS CB C 27 26.839 26.826 0.013 1
1 271 . 15 1 1 A 27 27 HIS C C 27 172.979 174.151 -1.172 1
1 272 . 15 1 1 A 28 28 VAL N N 28 118.229 118.525 -0.296 1
1 273 . 15 1 1 A 28 28 VAL H H 28 7.377 7.517 -0.140 1
1 274 . 15 1 1 A 28 28 VAL CA C 28 61.927 61.526 0.401 1
1 275 . 15 1 1 A 28 28 VAL HA H 28 3.922 4.226 -0.304 1
1 276 . 15 1 1 A 28 28 VAL CB C 28 33.373 33.171 0.202 1
1 286 . 15 1 1 A 28 28 VAL C C 28 174.687 173.397 1.290 1
1 287 . 15 1 1 A 29 29 ASN N N 29 125.832 127.756 -1.924 1
1 288 . 15 1 1 A 29 29 ASN H H 29 8.604 9.091 -0.487 1
1 289 . 15 1 1 A 29 29 ASN CA C 29 52.651 51.868 0.783 1
1 290 . 15 1 1 A 29 29 ASN HA H 29 4.682 5.271 -0.589 1
1 291 . 15 1 1 A 29 29 ASN CB C 29 39.124 39.885 -0.761 1
1 297 . 15 1 1 A 29 29 ASN C C 29 173.380 174.026 -0.646 1
1 298 . 15 1 1 A 30 30 VAL N N 30 125.146 127.059 -1.913 1
1 299 . 15 1 1 A 30 30 VAL H H 30 9.203 8.775 0.428 1
1 300 . 15 1 1 A 30 30 VAL CA C 30 63.838 62.172 1.666 1
1 301 . 15 1 1 A 30 30 VAL HA H 30 3.699 4.182 -0.483 1
1 302 . 15 1 1 A 30 30 VAL CB C 30 31.136 31.587 -0.451 1
1 312 . 15 1 1 A 30 30 VAL C C 30 176.046 176.220 -0.174 1
1 313 . 15 1 1 A 31 31 THR N N 31 118.952 117.895 1.057 1
1 314 . 15 1 1 A 31 31 THR H H 31 8.396 8.446 -0.050 1
1 315 . 15 1 1 A 31 31 THR CA C 31 60.985 62.081 -1.096 1
1 316 . 15 1 1 A 31 31 THR HA H 31 4.316 4.628 -0.312 1
1 317 . 15 1 1 A 31 31 THR CB C 31 70.087 70.277 -0.190 1
1 323 . 15 1 1 A 31 31 THR C C 31 173.296 173.974 -0.678 1
1 324 . 15 1 1 A 32 32 ASP N N 32 120.757 121.051 -0.294 1
1 325 . 15 1 1 A 32 32 ASP H H 32 8.078 7.897 0.181 1
1 326 . 15 1 1 A 32 32 ASP CA C 32 53.069 52.505 0.564 1
1 327 . 15 1 1 A 32 32 ASP HA H 32 4.536 5.099 -0.563 1
1 328 . 15 1 1 A 32 32 ASP CB C 32 41.527 44.140 -2.613 1
1 331 . 15 1 1 A 32 32 ASP C C 32 174.931 175.555 -0.624 1
1 332 . 15 1 1 A 33 33 LEU N N 33 117.024 122.436 -5.412 1
1 333 . 15 1 1 A 33 33 LEU H H 33 8.733 8.483 0.250 1
1 334 . 15 1 1 A 33 33 LEU CA C 33 54.453 54.308 0.145 1
1 335 . 15 1 1 A 33 33 LEU HA H 33 4.834 5.088 -0.254 1
1 336 . 15 1 1 A 33 33 LEU CB C 33 41.867 42.007 -0.140 1
1 349 . 15 1 1 A 33 33 LEU C C 33 174.039 177.063 -3.024 1
1 350 . 15 1 1 A 34 34 THR N N 34 103.873 111.674 -7.801 1
1 351 . 15 1 1 A 34 34 THR H H 34 7.900 7.918 -0.018 1
1 352 . 15 1 1 A 34 34 THR CA C 34 60.434 62.599 -2.165 1
1 353 . 15 1 1 A 34 34 THR HA H 34 4.519 4.678 -0.159 1
1 354 . 15 1 1 A 34 34 THR CB C 34 70.237 70.002 0.235 1
1 360 . 15 1 1 A 34 34 THR C C 34 175.954 175.730 0.224 1
1 361 . 15 1 1 A 35 35 THR N N 35 118.103 114.712 3.391 1
1 362 . 15 1 1 A 35 35 THR H H 35 9.363 8.397 0.966 1
1 363 . 15 1 1 A 35 35 THR CA C 35 66.422 64.789 1.633 1
1 364 . 15 1 1 A 35 35 THR HA H 35 3.981 4.248 -0.267 1
1 365 . 15 1 1 A 35 35 THR CB C 35 68.720 68.768 -0.048 1
1 371 . 15 1 1 A 35 35 THR C C 35 177.778 177.005 0.773 1
1 372 . 15 1 1 A 36 36 SER N N 36 120.417 116.374 4.043 1
1 373 . 15 1 1 A 36 36 SER H H 36 10.544 8.315 2.229 1
1 374 . 15 1 1 A 36 36 SER CA C 36 61.076 62.027 -0.951 1
1 375 . 15 1 1 A 36 36 SER HA H 36 4.395 4.174 0.221 1
1 376 . 15 1 1 A 36 36 SER CB C 36 63.485 63.175 0.310 1
1 379 . 15 1 1 A 36 36 SER C C 36 173.956 175.451 -1.495 1
1 380 . 15 1 1 A 37 37 TRP N N 37 121.387 118.831 2.556 1
1 381 . 15 1 1 A 37 37 TRP H H 37 8.126 8.033 0.093 1
1 382 . 15 1 1 A 37 37 TRP CA C 37 57.689 56.491 1.198 1
1 383 . 15 1 1 A 37 37 TRP HA H 37 4.340 5.081 -0.741 1
1 384 . 15 1 1 A 37 37 TRP CB C 37 28.915 29.318 -0.403 1
1 399 . 15 1 1 A 37 37 TRP C C 37 176.751 176.914 -0.163 1
1 400 . 15 1 1 A 38 38 ARG N N 38 121.787 119.904 1.883 1
1 401 . 15 1 1 A 38 38 ARG H H 38 7.473 8.418 -0.945 1
1 402 . 15 1 1 A 38 38 ARG CA C 38 60.250 58.890 1.360 1
1 403 . 15 1 1 A 38 38 ARG HA H 38 4.065 4.210 -0.145 1
1 404 . 15 1 1 A 38 38 ARG CB C 38 30.807 29.996 0.811 1
1 415 . 15 1 1 A 38 38 ARG C C 38 177.636 178.387 -0.751 1
1 416 . 15 1 1 A 39 39 SER N N 39 110.340 114.222 -3.882 1
1 417 . 15 1 1 A 39 39 SER H H 39 8.665 7.711 0.954 1
1 418 . 15 1 1 A 39 39 SER CA C 39 59.336 59.262 0.074 1
1 419 . 15 1 1 A 39 39 SER HA H 39 4.349 4.455 -0.106 1
1 420 . 15 1 1 A 39 39 SER CB C 39 64.907 64.298 0.609 1
1 423 . 15 1 1 A 39 39 SER C C 39 174.768 174.599 0.169 1
1 424 . 15 1 1 A 40 40 GLY N N 40 109.467 108.942 0.525 1
1 425 . 15 1 1 A 40 40 GLY H H 40 7.549 7.782 -0.233 1
1 426 . 15 1 1 A 40 40 GLY CA C 40 46.347 45.340 1.007 1
1 427 . 15 1 1 A 40 40 GLY HA2 H 40 3.875 3.853 0.022 1
1 428 . 15 1 1 A 40 40 GLY HA3 H 40 3.915 3.927 -0.012 1
1 429 . 15 1 1 A 40 40 GLY C C 40 173.725 175.950 -2.225 1
1 430 . 15 1 1 A 41 41 LEU N N 41 117.562 121.579 -4.017 1
1 431 . 15 1 1 A 41 41 LEU H H 41 7.287 8.114 -0.827 1
1 432 . 15 1 1 A 41 41 LEU CA C 41 57.482 57.819 -0.337 1
1 433 . 15 1 1 A 41 41 LEU HA H 41 3.882 3.638 0.244 1
1 434 . 15 1 1 A 41 41 LEU CB C 41 42.615 41.441 1.174 1
1 447 . 15 1 1 A 41 41 LEU C C 41 178.159 178.697 -0.538 1
1 448 . 15 1 1 A 42 42 ALA N N 42 121.758 120.945 0.813 1
1 449 . 15 1 1 A 42 42 ALA H H 42 8.506 8.160 0.346 1
1 450 . 15 1 1 A 42 42 ALA CA C 42 55.694 55.069 0.625 1
1 451 . 15 1 1 A 42 42 ALA HA H 42 3.582 3.804 -0.222 1
1 452 . 15 1 1 A 42 42 ALA CB C 42 17.039 17.836 -0.797 1
1 456 . 15 1 1 A 42 42 ALA C C 42 178.076 179.409 -1.333 1
1 457 . 15 1 1 A 43 43 LEU N N 43 118.332 119.291 -0.959 1
1 458 . 15 1 1 A 43 43 LEU H H 43 8.933 7.940 0.993 1
1 459 . 15 1 1 A 43 43 LEU CA C 43 57.425 58.145 -0.720 1
1 460 . 15 1 1 A 43 43 LEU HA H 43 4.308 4.361 -0.053 1
1 461 . 15 1 1 A 43 43 LEU CB C 43 42.068 42.064 0.004 1
1 474 . 15 1 1 A 43 43 LEU C C 43 179.198 178.551 0.647 1
1 475 . 15 1 1 A 44 44 CYS N N 44 115.098 117.103 -2.005 1
1 476 . 15 1 1 A 44 44 CYS H H 44 7.607 8.481 -0.874 1
1 477 . 15 1 1 A 44 44 CYS CA C 44 65.664 62.552 3.112 1
1 478 . 15 1 1 A 44 44 CYS HA H 44 4.035 4.085 -0.050 1
1 479 . 15 1 1 A 44 44 CYS CB C 44 27.516 26.737 0.779 1
1 482 . 15 1 1 A 44 44 CYS C C 44 176.222 177.377 -1.155 1
1 483 . 15 1 1 A 45 45 ALA N N 45 121.778 121.583 0.195 1
1 484 . 15 1 1 A 45 45 ALA H H 45 8.435 8.207 0.228 1
1 485 . 15 1 1 A 45 45 ALA CA C 45 55.306 55.054 0.252 1
1 486 . 15 1 1 A 45 45 ALA HA H 45 3.184 3.879 -0.695 1
1 487 . 15 1 1 A 45 45 ALA CB C 45 17.395 17.699 -0.304 1
1 491 . 15 1 1 A 45 45 ALA C C 45 177.510 180.253 -2.743 1
1 492 . 15 1 1 A 46 46 ILE N N 46 116.463 118.508 -2.045 1
1 493 . 15 1 1 A 46 46 ILE H H 46 7.527 8.154 -0.627 1
1 494 . 15 1 1 A 46 46 ILE CA C 46 65.137 65.002 0.135 1
1 495 . 15 1 1 A 46 46 ILE HA H 46 3.267 3.656 -0.389 1
1 496 . 15 1 1 A 46 46 ILE CB C 46 37.084 38.095 -1.011 1
1 509 . 15 1 1 A 46 46 ILE C C 46 176.744 178.554 -1.810 1
1 510 . 15 1 1 A 47 47 ILE N N 47 115.676 120.301 -4.625 1
1 511 . 15 1 1 A 47 47 ILE H H 47 7.786 7.924 -0.138 1
1 512 . 15 1 1 A 47 47 ILE CA C 47 66.948 65.244 1.704 1
1 513 . 15 1 1 A 47 47 ILE HA H 47 3.754 3.899 -0.145 1
1 514 . 15 1 1 A 47 47 ILE CB C 47 38.335 38.108 0.227 1
1 527 . 15 1 1 A 47 47 ILE C C 47 176.853 178.198 -1.345 1
1 528 . 15 1 1 A 48 48 HIS N N 48 120.066 119.926 0.140 1
1 529 . 15 1 1 A 48 48 HIS H H 48 8.569 8.635 -0.066 1
1 530 . 15 1 1 A 48 48 HIS CA C 48 60.767 60.004 0.763 1
1 531 . 15 1 1 A 48 48 HIS HA H 48 3.918 4.266 -0.348 1
1 532 . 15 1 1 A 48 48 HIS CB C 48 31.245 29.926 1.319 1
1 539 . 15 1 1 A 48 48 HIS C C 48 175.841 176.943 -1.102 1
1 540 . 15 1 1 A 49 49 ARG N N 49 118.781 117.733 1.048 1
1 541 . 15 1 1 A 49 49 ARG H H 49 8.572 8.277 0.295 1
1 542 . 15 1 1 A 49 49 ARG CA C 49 58.152 59.178 -1.026 1
1 543 . 15 1 1 A 49 49 ARG HA H 49 3.680 3.917 -0.237 1
1 544 . 15 1 1 A 49 49 ARG CB C 49 28.454 30.056 -1.602 1
1 555 . 15 1 1 A 49 49 ARG C C 49 177.830 179.025 -1.195 1
1 556 . 15 1 1 A 50 50 PHE N N 50 113.909 118.114 -4.205 1
1 557 . 15 1 1 A 50 50 PHE H H 50 6.900 7.949 -1.049 1
1 558 . 15 1 1 A 50 50 PHE CA C 50 59.885 60.258 -0.373 1
1 559 . 15 1 1 A 50 50 PHE HA H 50 4.281 4.321 -0.040 1
1 560 . 15 1 1 A 50 50 PHE CB C 50 41.527 38.787 2.740 1
1 573 . 15 1 1 A 50 50 PHE C C 50 176.867 176.024 0.843 1
1 574 . 15 1 1 A 51 51 ARG N N 51 120.652 119.324 1.328 1
1 575 . 15 1 1 A 51 51 ARG H H 51 9.059 8.154 0.905 1
1 576 . 15 1 1 A 51 51 ARG CA C 51 51.499 53.683 -2.184 1
1 577 . 15 1 1 A 51 51 ARG HA H 51 4.942 4.808 0.134 1
1 578 . 15 1 1 A 51 51 ARG CB C 51 30.307 30.634 -0.327 1
1 589 . 15 1 1 A 51 51 ARG C C 51 172.670 174.642 -1.972 1
1 590 . 15 1 1 A 52 52 PRO CA C 52 64.948 64.155 0.793 1
1 591 . 15 1 1 A 52 52 PRO HA H 52 4.343 4.356 -0.013 1
1 592 . 15 1 1 A 52 52 PRO CB C 52 31.091 31.543 -0.452 1
1 601 . 15 1 1 A 52 52 PRO C C 52 177.406 177.776 -0.370 1
1 602 . 15 1 1 A 53 53 GLU N N 53 118.219 118.197 0.022 1
1 603 . 15 1 1 A 53 53 GLU H H 53 9.784 8.253 1.531 1
1 604 . 15 1 1 A 53 53 GLU CA C 53 57.285 59.639 -2.354 1
1 605 . 15 1 1 A 53 53 GLU HA H 53 4.322 4.149 0.173 1
1 606 . 15 1 1 A 53 53 GLU CB C 53 27.771 29.408 -1.637 1
1 612 . 15 1 1 A 53 53 GLU C C 53 177.957 179.229 -1.272 1
1 613 . 15 1 1 A 54 54 LEU N N 54 119.316 118.274 1.042 1
1 614 . 15 1 1 A 54 54 LEU H H 54 8.212 7.156 1.056 1
1 615 . 15 1 1 A 54 54 LEU CA C 54 55.943 58.089 -2.146 1
1 616 . 15 1 1 A 54 54 LEU HA H 54 4.337 4.093 0.244 1
1 617 . 15 1 1 A 54 54 LEU CB C 54 43.122 41.880 1.242 1
1 630 . 15 1 1 A 54 54 LEU C C 54 177.159 176.822 0.337 1
1 631 . 15 1 1 A 55 55 ILE N N 55 115.493 118.017 -2.524 1
1 632 . 15 1 1 A 55 55 ILE H H 55 6.990 8.080 -1.090 1
1 633 . 15 1 1 A 55 55 ILE CA C 55 59.645 59.844 -0.199 1
1 634 . 15 1 1 A 55 55 ILE HA H 55 4.230 4.694 -0.464 1
1 635 . 15 1 1 A 55 55 ILE CB C 55 43.159 40.234 2.925 1
1 648 . 15 1 1 A 55 55 ILE C C 55 173.302 174.751 -1.449 1
1 649 . 15 1 1 A 56 56 ASN N N 56 124.568 125.431 -0.863 1
1 650 . 15 1 1 A 56 56 ASN H H 56 8.984 8.804 0.180 1
1 651 . 15 1 1 A 56 56 ASN CA C 56 51.198 51.249 -0.051 1
1 652 . 15 1 1 A 56 56 ASN HA H 56 5.100 5.139 -0.039 1
1 653 . 15 1 1 A 56 56 ASN CB C 56 36.452 38.850 -2.398 1
1 659 . 15 1 1 A 56 56 ASN C C 56 175.902 175.376 0.526 1
1 660 . 15 1 1 A 57 57 PHE N N 57 126.548 126.541 0.007 1
1 661 . 15 1 1 A 57 57 PHE H H 57 7.219 8.678 -1.459 1
1 662 . 15 1 1 A 57 57 PHE CA C 57 62.399 62.398 0.001 1
1 663 . 15 1 1 A 57 57 PHE HA H 57 3.514 3.861 -0.347 1
1 664 . 15 1 1 A 57 57 PHE CB C 57 39.553 39.557 -0.004 1
1 677 . 15 1 1 A 57 57 PHE C C 57 176.597 176.597 0.000 1
1 678 . 15 1 1 A 58 58 ASP N N 58 116.755 118.471 -1.716 1
1 679 . 15 1 1 A 58 58 ASP H H 58 8.691 8.421 0.270 1
1 680 . 15 1 1 A 58 58 ASP CA C 58 56.635 57.417 -0.782 1
1 681 . 15 1 1 A 58 58 ASP HA H 58 4.324 4.425 -0.101 1
1 682 . 15 1 1 A 58 58 ASP CB C 58 40.262 40.335 -0.073 1
1 685 . 15 1 1 A 58 58 ASP C C 58 176.562 178.468 -1.906 1
1 686 . 15 1 1 A 59 59 SER N N 59 112.320 113.967 -1.647 1
1 687 . 15 1 1 A 59 59 SER H H 59 7.412 8.300 -0.888 1
1 688 . 15 1 1 A 59 59 SER CA C 59 58.740 61.229 -2.489 1
1 689 . 15 1 1 A 59 59 SER HA H 59 4.365 4.314 0.051 1
1 690 . 15 1 1 A 59 59 SER CB C 59 64.598 62.924 1.674 1
1 693 . 15 1 1 A 59 59 SER C C 59 174.309 174.857 -0.548 1
1 694 . 15 1 1 A 60 60 LEU N N 60 121.693 121.342 0.351 1
1 695 . 15 1 1 A 60 60 LEU H H 60 7.176 7.346 -0.170 1
1 696 . 15 1 1 A 60 60 LEU CA C 60 54.593 55.721 -1.128 1
1 697 . 15 1 1 A 60 60 LEU HA H 60 4.196 3.985 0.211 1
1 698 . 15 1 1 A 60 60 LEU CB C 60 40.943 41.879 -0.936 1
1 711 . 15 1 1 A 60 60 LEU C C 60 176.774 175.994 0.780 1
1 712 . 15 1 1 A 61 61 ASN N N 61 121.648 124.668 -3.020 1
1 713 . 15 1 1 A 61 61 ASN H H 61 9.391 8.375 1.016 1
1 714 . 15 1 1 A 61 61 ASN CA C 61 51.763 51.712 0.051 1
1 715 . 15 1 1 A 61 61 ASN HA H 61 4.721 5.022 -0.301 1
1 716 . 15 1 1 A 61 61 ASN CB C 61 40.025 40.657 -0.632 1
1 722 . 15 1 1 A 61 61 ASN C C 61 176.599 175.765 0.834 1
1 723 . 15 1 1 A 62 62 GLU N N 62 126.707 124.902 1.805 1
1 724 . 15 1 1 A 62 62 GLU H H 62 9.255 8.881 0.374 1
1 725 . 15 1 1 A 62 62 GLU CA C 62 58.926 60.077 -1.151 1
1 726 . 15 1 1 A 62 62 GLU HA H 62 3.688 3.893 -0.205 1
1 727 . 15 1 1 A 62 62 GLU CB C 62 29.479 29.383 0.096 1
1 733 . 15 1 1 A 62 62 GLU C C 62 176.196 177.762 -1.566 1
1 734 . 15 1 1 A 63 63 ASP N N 63 116.763 120.073 -3.310 1
1 735 . 15 1 1 A 63 63 ASP H H 63 8.317 8.136 0.181 1
1 736 . 15 1 1 A 63 63 ASP CA C 63 55.499 57.078 -1.579 1
1 737 . 15 1 1 A 63 63 ASP HA H 63 4.509 4.255 0.254 1
1 738 . 15 1 1 A 63 63 ASP CB C 63 40.697 40.638 0.059 1
1 741 . 15 1 1 A 63 63 ASP C C 63 177.195 177.567 -0.372 1
1 742 . 15 1 1 A 64 64 ASP N N 64 123.036 117.153 5.883 1
1 743 . 15 1 1 A 64 64 ASP H H 64 7.422 8.283 -0.861 1
1 744 . 15 1 1 A 64 64 ASP CA C 64 52.760 53.692 -0.932 1
1 745 . 15 1 1 A 64 64 ASP HA H 64 4.949 4.902 0.047 1
1 746 . 15 1 1 A 64 64 ASP CB C 64 38.920 41.022 -2.102 1
1 749 . 15 1 1 A 64 64 ASP C C 64 174.979 176.064 -1.085 1
1 750 . 15 1 1 A 65 65 ALA N N 65 123.411 122.770 0.641 1
1 751 . 15 1 1 A 65 65 ALA H H 65 7.527 7.596 -0.069 1
1 752 . 15 1 1 A 65 65 ALA CA C 65 55.750 55.252 0.498 1
1 753 . 15 1 1 A 65 65 ALA HA H 65 4.295 3.933 0.362 1
1 754 . 15 1 1 A 65 65 ALA CB C 65 19.889 18.325 1.564 1
1 758 . 15 1 1 A 65 65 ALA C C 65 181.114 179.542 1.572 1
1 759 . 15 1 1 A 66 66 VAL N N 66 119.151 118.588 0.563 1
1 760 . 15 1 1 A 66 66 VAL H H 66 8.305 8.143 0.162 1
1 761 . 15 1 1 A 66 66 VAL CA C 66 67.423 66.888 0.535 1
1 762 . 15 1 1 A 66 66 VAL HA H 66 3.292 3.470 -0.178 1
1 763 . 15 1 1 A 66 66 VAL CB C 66 31.418 31.599 -0.181 1
1 773 . 15 1 1 A 66 66 VAL C C 66 177.471 177.836 -0.365 1
1 774 . 15 1 1 A 67 67 GLU N N 67 117.895 118.900 -1.005 1
1 775 . 15 1 1 A 67 67 GLU H H 67 8.256 8.176 0.080 1
1 776 . 15 1 1 A 67 67 GLU CA C 67 59.831 59.732 0.099 1
1 777 . 15 1 1 A 67 67 GLU HA H 67 3.901 3.988 -0.087 1
1 778 . 15 1 1 A 67 67 GLU CB C 67 28.963 29.438 -0.475 1
1 784 . 15 1 1 A 67 67 GLU C C 67 179.796 179.190 0.606 1
1 785 . 15 1 1 A 68 68 ASN N N 68 119.611 118.316 1.295 1
1 786 . 15 1 1 A 68 68 ASN H H 68 9.019 8.637 0.382 1
1 787 . 15 1 1 A 68 68 ASN CA C 68 55.797 56.408 -0.611 1
1 788 . 15 1 1 A 68 68 ASN HA H 68 4.325 4.338 -0.013 1
1 789 . 15 1 1 A 68 68 ASN CB C 68 37.140 37.800 -0.660 1
1 795 . 15 1 1 A 68 68 ASN C C 68 177.193 178.051 -0.858 1
1 796 . 15 1 1 A 69 69 ASN N N 69 115.555 117.855 -2.300 1
1 797 . 15 1 1 A 69 69 ASN H H 69 7.589 8.204 -0.615 1
1 798 . 15 1 1 A 69 69 ASN CA C 69 57.155 56.340 0.815 1
1 799 . 15 1 1 A 69 69 ASN HA H 69 3.880 4.140 -0.260 1
1 800 . 15 1 1 A 69 69 ASN CB C 69 40.785 38.084 2.701 1
1 806 . 15 1 1 A 69 69 ASN C C 69 175.062 177.454 -2.392 1
1 807 . 15 1 1 A 70 70 GLN N N 70 115.794 120.020 -4.226 1
1 808 . 15 1 1 A 70 70 GLN H H 70 8.058 7.800 0.258 1
1 809 . 15 1 1 A 70 70 GLN CA C 70 58.400 59.019 -0.619 1
1 810 . 15 1 1 A 70 70 GLN HA H 70 3.591 4.297 -0.706 1
1 811 . 15 1 1 A 70 70 GLN CB C 70 29.420 28.512 0.908 1
1 820 . 15 1 1 A 70 70 GLN C C 70 176.954 177.917 -0.963 1
1 821 . 15 1 1 A 71 71 LEU N N 71 118.631 120.842 -2.211 1
1 822 . 15 1 1 A 71 71 LEU H H 71 8.090 8.311 -0.221 1
1 823 . 15 1 1 A 71 71 LEU CA C 71 58.121 58.464 -0.343 1
1 824 . 15 1 1 A 71 71 LEU HA H 71 4.291 4.044 0.247 1
1 825 . 15 1 1 A 71 71 LEU CB C 71 42.100 41.900 0.200 1
1 838 . 15 1 1 A 71 71 LEU C C 71 177.664 178.185 -0.521 1
1 839 . 15 1 1 A 72 72 ALA N N 72 119.977 120.345 -0.368 1
1 840 . 15 1 1 A 72 72 ALA H H 72 7.274 8.161 -0.887 1
1 841 . 15 1 1 A 72 72 ALA CA C 72 55.807 55.008 0.799 1
1 842 . 15 1 1 A 72 72 ALA HA H 72 3.873 4.073 -0.200 1
1 843 . 15 1 1 A 72 72 ALA CB C 72 18.412 18.608 -0.196 1
1 847 . 15 1 1 A 72 72 ALA C C 72 179.676 179.976 -0.300 1
1 848 . 15 1 1 A 73 73 PHE N N 73 115.018 116.207 -1.189 1
1 849 . 15 1 1 A 73 73 PHE H H 73 8.722 7.999 0.723 1
1 850 . 15 1 1 A 73 73 PHE CA C 73 56.889 62.016 -5.127 1
1 851 . 15 1 1 A 73 73 PHE HA H 73 4.848 4.608 0.240 1
1 852 . 15 1 1 A 73 73 PHE CB C 73 37.404 39.036 -1.632 1
1 865 . 15 1 1 A 73 73 PHE C C 73 180.123 177.939 2.184 1
1 866 . 15 1 1 A 74 74 ASP N N 74 122.136 119.589 2.547 1
1 867 . 15 1 1 A 74 74 ASP H H 74 9.262 8.828 0.434 1
1 868 . 15 1 1 A 74 74 ASP CA C 74 57.648 57.578 0.070 1
1 869 . 15 1 1 A 74 74 ASP HA H 74 4.550 4.437 0.113 1
1 870 . 15 1 1 A 74 74 ASP CB C 74 40.073 41.504 -1.431 1
1 873 . 15 1 1 A 74 74 ASP C C 74 179.818 178.551 1.267 1
1 874 . 15 1 1 A 75 75 VAL N N 75 122.521 119.222 3.299 1
1 875 . 15 1 1 A 75 75 VAL H H 75 9.080 8.550 0.530 1
1 876 . 15 1 1 A 75 75 VAL CA C 75 66.894 66.330 0.564 1
1 877 . 15 1 1 A 75 75 VAL HA H 75 3.611 3.598 0.013 1
1 878 . 15 1 1 A 75 75 VAL CB C 75 31.943 31.520 0.423 1
1 888 . 15 1 1 A 75 75 VAL C C 75 177.813 178.264 -0.451 1
1 889 . 15 1 1 A 76 76 ALA N N 76 121.109 121.887 -0.778 1
1 890 . 15 1 1 A 76 76 ALA H H 76 8.813 8.358 0.455 1
1 891 . 15 1 1 A 76 76 ALA CA C 76 55.181 55.304 -0.123 1
1 892 . 15 1 1 A 76 76 ALA HA H 76 4.092 4.175 -0.083 1
1 893 . 15 1 1 A 76 76 ALA CB C 76 19.324 18.575 0.749 1
1 897 . 15 1 1 A 76 76 ALA C C 76 180.373 180.475 -0.102 1
1 898 . 15 1 1 A 77 77 GLU N N 77 120.309 118.527 1.782 1
1 899 . 15 1 1 A 77 77 GLU H H 77 8.257 8.020 0.237 1
1 900 . 15 1 1 A 77 77 GLU CA C 77 59.818 58.692 1.126 1
1 901 . 15 1 1 A 77 77 GLU HA H 77 3.982 4.213 -0.231 1
1 902 . 15 1 1 A 77 77 GLU CB C 77 30.530 29.760 0.770 1
1 908 . 15 1 1 A 77 77 GLU C C 77 178.591 177.791 0.800 1
1 909 . 15 1 1 A 78 78 ARG N N 78 119.060 118.661 0.399 1
1 910 . 15 1 1 A 78 78 ARG H H 78 8.325 7.682 0.643 1
1 911 . 15 1 1 A 78 78 ARG CA C 78 59.232 57.153 2.079 1
1 912 . 15 1 1 A 78 78 ARG HA H 78 4.048 4.386 -0.338 1
1 913 . 15 1 1 A 78 78 ARG CB C 78 31.462 31.007 0.455 1
1 924 . 15 1 1 A 78 78 ARG C C 78 178.327 177.525 0.802 1
1 925 . 15 1 1 A 79 79 GLU N N 79 114.012 117.225 -3.213 1
1 926 . 15 1 1 A 79 79 GLU H H 79 8.878 8.236 0.642 1
1 927 . 15 1 1 A 79 79 GLU CA C 79 56.599 58.094 -1.495 1
1 928 . 15 1 1 A 79 79 GLU HA H 79 4.329 4.326 0.003 1
1 929 . 15 1 1 A 79 79 GLU CB C 79 28.771 30.473 -1.702 1
1 935 . 15 1 1 A 79 79 GLU C C 79 178.301 178.058 0.243 1
1 936 . 15 1 1 A 80 80 PHE N N 80 113.394 117.153 -3.759 1
1 937 . 15 1 1 A 80 80 PHE H H 80 6.906 7.422 -0.516 1
1 938 . 15 1 1 A 80 80 PHE CA C 80 53.518 57.990 -4.472 1
1 939 . 15 1 1 A 80 80 PHE HA H 80 5.246 4.563 0.683 1
1 940 . 15 1 1 A 80 80 PHE CB C 80 39.910 39.357 0.553 1
1 953 . 15 1 1 A 80 80 PHE C C 80 176.487 176.206 0.281 1
1 954 . 15 1 1 A 81 81 GLY N N 81 108.698 109.017 -0.319 1
1 955 . 15 1 1 A 81 81 GLY H H 81 7.352 8.378 -1.026 1
1 956 . 15 1 1 A 81 81 GLY CA C 81 46.520 46.763 -0.243 1
1 957 . 15 1 1 A 81 81 GLY HA2 H 81 3.975 4.009 -0.034 1
1 958 . 15 1 1 A 81 81 GLY HA3 H 81 3.975 4.018 -0.043 1
1 959 . 15 1 1 A 81 81 GLY C C 81 174.711 174.516 0.195 1
1 960 . 15 1 1 A 82 82 ILE N N 82 122.486 122.263 0.223 1
1 961 . 15 1 1 A 82 82 ILE H H 82 7.507 8.234 -0.727 1
1 962 . 15 1 1 A 82 82 ILE CA C 82 58.810 58.111 0.699 1
1 963 . 15 1 1 A 82 82 ILE HA H 82 4.285 4.366 -0.081 1
1 964 . 15 1 1 A 82 82 ILE CB C 82 39.376 39.212 0.164 1
1 977 . 15 1 1 A 82 82 ILE C C 82 172.836 174.985 -2.149 1
1 978 . 15 1 1 A 83 83 PRO CA C 83 60.989 62.229 -1.240 1
1 979 . 15 1 1 A 83 83 PRO HA H 83 4.589 4.750 -0.161 1
1 980 . 15 1 1 A 83 83 PRO CB C 83 31.107 32.187 -1.080 1
1 989 . 15 1 1 A 84 84 PRO CA C 84 62.860 62.456 0.404 1
1 990 . 15 1 1 A 84 84 PRO HA H 84 4.405 4.424 -0.019 1
1 991 . 15 1 1 A 84 84 PRO CB C 84 32.638 31.777 0.861 1
1 1000 . 15 1 1 A 84 84 PRO C C 84 177.894 177.299 0.595 1
1 1001 . 15 1 1 A 85 85 VAL N N 85 114.062 116.879 -2.817 1
1 1002 . 15 1 1 A 85 85 VAL H H 85 6.621 7.708 -1.087 1
1 1003 . 15 1 1 A 85 85 VAL CA C 85 61.000 63.499 -2.499 1
1 1004 . 15 1 1 A 85 85 VAL HA H 85 4.080 3.925 0.155 1
1 1005 . 15 1 1 A 85 85 VAL CB C 85 32.725 32.097 0.628 1
1 1015 . 15 1 1 A 85 85 VAL C C 85 174.315 175.624 -1.309 1
1 1016 . 15 1 1 A 86 86 THR N N 86 114.774 114.394 0.380 1
1 1017 . 15 1 1 A 86 86 THR H H 86 6.827 7.218 -0.391 1
1 1018 . 15 1 1 A 86 86 THR CA C 86 59.336 59.536 -0.200 1
1 1019 . 15 1 1 A 86 86 THR HA H 86 4.442 4.678 -0.236 1
1 1020 . 15 1 1 A 86 86 THR CB C 86 68.016 71.560 -3.544 1
1 1026 . 15 1 1 A 86 86 THR C C 86 172.724 172.174 0.550 1
1 1027 . 15 1 1 A 87 87 THR N N 87 109.655 116.660 -7.005 1
1 1028 . 15 1 1 A 87 87 THR H H 87 8.313 8.477 -0.164 1
1 1029 . 15 1 1 A 87 87 THR CA C 87 59.870 60.230 -0.360 1
1 1030 . 15 1 1 A 87 87 THR HA H 87 5.000 4.732 0.268 1
1 1031 . 15 1 1 A 87 87 THR CB C 87 72.527 70.773 1.754 1
1 1037 . 15 1 1 A 87 87 THR C C 87 176.440 175.658 0.782 1
1 1038 . 15 1 1 A 88 88 GLY N N 88 110.531 110.520 0.011 1
1 1039 . 15 1 1 A 88 88 GLY H H 88 9.655 9.074 0.581 1
1 1040 . 15 1 1 A 88 88 GLY CA C 88 49.124 47.629 1.495 1
1 1041 . 15 1 1 A 88 88 GLY HA2 H 88 4.115 3.963 0.152 1
1 1042 . 15 1 1 A 88 88 GLY HA3 H 88 3.755 4.051 -0.296 1
1 1043 . 15 1 1 A 88 88 GLY C C 88 175.154 175.943 -0.789 1
1 1044 . 15 1 1 A 89 89 LYS N N 89 119.606 121.644 -2.038 1
1 1045 . 15 1 1 A 89 89 LYS H H 89 8.542 8.130 0.412 1
1 1046 . 15 1 1 A 89 89 LYS CA C 89 59.687 59.675 0.012 1
1 1047 . 15 1 1 A 89 89 LYS HA H 89 4.030 3.961 0.069 1
1 1048 . 15 1 1 A 89 89 LYS CB C 89 32.733 32.222 0.511 1
1 1060 . 15 1 1 A 89 89 LYS C C 89 178.921 178.965 -0.044 1
1 1061 . 15 1 1 A 90 90 GLU N N 90 118.992 119.625 -0.633 1
1 1062 . 15 1 1 A 90 90 GLU H H 90 7.610 8.042 -0.432 1
1 1063 . 15 1 1 A 90 90 GLU CA C 90 59.238 59.430 -0.192 1
1 1064 . 15 1 1 A 90 90 GLU HA H 90 4.008 4.059 -0.051 1
1 1065 . 15 1 1 A 90 90 GLU CB C 90 29.946 29.271 0.675 1
1 1071 . 15 1 1 A 90 90 GLU C C 90 179.366 178.549 0.817 1
1 1072 . 15 1 1 A 91 91 MET N N 91 120.109 118.878 1.231 1
1 1073 . 15 1 1 A 91 91 MET H H 91 8.468 8.592 -0.124 1
1 1074 . 15 1 1 A 91 91 MET CA C 91 57.606 58.639 -1.033 1
1 1075 . 15 1 1 A 91 91 MET HA H 91 4.355 4.073 0.282 1
1 1076 . 15 1 1 A 91 91 MET CB C 91 32.364 32.495 -0.131 1
1 1086 . 15 1 1 A 91 91 MET C C 91 177.168 178.240 -1.072 1
1 1087 . 15 1 1 A 92 92 ALA N N 92 115.912 121.867 -5.955 1
1 1088 . 15 1 1 A 92 92 ALA H H 92 7.876 8.202 -0.326 1
1 1089 . 15 1 1 A 92 92 ALA CA C 92 53.278 55.036 -1.758 1
1 1090 . 15 1 1 A 92 92 ALA HA H 92 4.316 4.255 0.061 1
1 1091 . 15 1 1 A 92 92 ALA CB C 92 20.275 18.666 1.609 1
1 1095 . 15 1 1 A 92 92 ALA C C 92 178.672 179.339 -0.667 1
1 1096 . 15 1 1 A 93 93 SER N N 93 111.760 113.839 -2.079 1
1 1097 . 15 1 1 A 93 93 SER H H 93 7.431 8.460 -1.029 1
1 1098 . 15 1 1 A 93 93 SER CA C 93 58.584 62.241 -3.657 1
1 1099 . 15 1 1 A 93 93 SER HA H 93 4.471 4.150 0.321 1
1 1100 . 15 1 1 A 93 93 SER CB C 93 64.582 62.856 1.726 1
1 1103 . 15 1 1 A 93 93 SER C C 93 173.576 175.905 -2.329 1
1 1104 . 15 1 1 A 94 94 ALA N N 94 123.381 121.465 1.916 1
1 1105 . 15 1 1 A 94 94 ALA H H 94 7.903 8.057 -0.154 1
1 1106 . 15 1 1 A 94 94 ALA CA C 94 52.760 53.189 -0.429 1
1 1107 . 15 1 1 A 94 94 ALA HA H 94 4.267 4.100 0.167 1
1 1108 . 15 1 1 A 94 94 ALA CB C 94 18.364 19.552 -1.188 1
1 1112 . 15 1 1 A 94 94 ALA C C 94 177.611 177.999 -0.388 1
1 1113 . 15 1 1 A 95 95 GLN N N 95 120.874 124.796 -3.922 1
1 1114 . 15 1 1 A 95 95 GLN H H 95 8.305 8.751 -0.446 1
1 1115 . 15 1 1 A 95 95 GLN CA C 95 56.821 58.816 -1.995 1
1 1116 . 15 1 1 A 95 95 GLN HA H 95 4.185 4.075 0.110 1
1 1117 . 15 1 1 A 95 95 GLN CB C 95 29.052 28.869 0.183 1
1 1126 . 15 1 1 A 95 95 GLN C C 95 175.975 175.729 0.246 1
1 1127 . 15 1 1 A 96 96 GLU N N 96 120.251 118.398 1.853 1
1 1128 . 15 1 1 A 96 96 GLU H H 96 8.402 7.976 0.426 1
1 1129 . 15 1 1 A 96 96 GLU CA C 96 54.378 53.214 1.164 1
1 1130 . 15 1 1 A 96 96 GLU HA H 96 4.537 4.741 -0.204 1
1 1131 . 15 1 1 A 96 96 GLU CB C 96 30.216 31.557 -1.341 1
1 1137 . 15 1 1 A 96 96 GLU C C 96 173.618 174.059 -0.441 1
1 1138 . 15 1 1 A 97 97 PRO CA C 97 62.763 62.366 0.397 1
1 1139 . 15 1 1 A 97 97 PRO HA H 97 4.362 4.639 -0.277 1
1 1140 . 15 1 1 A 97 97 PRO CB C 97 32.356 32.901 -0.545 1
1 1149 . 15 1 1 A 97 97 PRO C C 97 174.841 175.426 -0.585 1
1 1150 . 15 1 1 A 98 98 ASP N N 98 120.272 120.800 -0.528 1
1 1151 . 15 1 1 A 98 98 ASP H H 98 8.396 8.659 -0.263 1
1 1152 . 15 1 1 A 98 98 ASP CA C 98 54.555 54.154 0.401 1
1 1153 . 15 1 1 A 98 98 ASP HA H 98 4.409 4.745 -0.336 1
1 1154 . 15 1 1 A 98 98 ASP CB C 98 42.248 41.328 0.920 1
1 1157 . 15 1 1 A 98 98 ASP C C 98 176.253 177.314 -1.061 1
1 1158 . 15 1 1 A 99 99 LYS N N 99 126.808 124.209 2.599 1
1 1159 . 15 1 1 A 99 99 LYS H H 99 8.454 8.691 -0.237 1
1 1160 . 15 1 1 A 99 99 LYS CA C 99 60.158 58.898 1.260 1
1 1161 . 15 1 1 A 99 99 LYS HA H 99 3.705 4.065 -0.360 1
1 1162 . 15 1 1 A 99 99 LYS CB C 99 32.832 31.885 0.947 1
1 1174 . 15 1 1 A 99 99 LYS C C 99 177.621 178.274 -0.653 1
1 1175 . 15 1 1 A 100 100 LEU N N 100 118.450 121.772 -3.322 1
1 1176 . 15 1 1 A 100 100 LEU H H 100 8.160 8.106 0.054 1
1 1177 . 15 1 1 A 100 100 LEU CA C 100 58.094 57.833 0.261 1
1 1178 . 15 1 1 A 100 100 LEU HA H 100 4.020 3.940 0.080 1
1 1179 . 15 1 1 A 100 100 LEU CB C 100 40.800 41.784 -0.984 1
1 1192 . 15 1 1 A 100 100 LEU C C 100 179.776 178.706 1.070 1
1 1193 . 15 1 1 A 101 101 SER N N 101 115.644 113.499 2.145 1
1 1194 . 15 1 1 A 101 101 SER H H 101 8.047 8.412 -0.365 1
1 1195 . 15 1 1 A 101 101 SER CA C 101 61.765 61.519 0.246 1
1 1196 . 15 1 1 A 101 101 SER HA H 101 4.174 4.166 0.008 1
1 1197 . 15 1 1 A 101 101 SER CB C 101 62.609 62.423 0.186 1
1 1200 . 15 1 1 A 101 101 SER C C 101 176.476 177.381 -0.905 1
1 1201 . 15 1 1 A 102 102 MET N N 102 120.653 119.638 1.015 1
1 1202 . 15 1 1 A 102 102 MET H H 102 8.027 7.947 0.080 1
1 1203 . 15 1 1 A 102 102 MET CA C 102 56.380 58.333 -1.953 1
1 1204 . 15 1 1 A 102 102 MET HA H 102 4.508 4.187 0.321 1
1 1205 . 15 1 1 A 102 102 MET CB C 102 30.731 33.028 -2.297 1
1 1215 . 15 1 1 A 102 102 MET C C 102 178.903 178.443 0.460 1
1 1216 . 15 1 1 A 103 103 VAL N N 103 119.836 119.704 0.132 1
1 1217 . 15 1 1 A 103 103 VAL H H 103 8.556 8.331 0.225 1
1 1218 . 15 1 1 A 103 103 VAL CA C 103 67.049 66.601 0.448 1
1 1219 . 15 1 1 A 103 103 VAL HA H 103 3.370 3.523 -0.153 1
1 1220 . 15 1 1 A 103 103 VAL CB C 103 31.583 31.511 0.072 1
1 1230 . 15 1 1 A 103 103 VAL C C 103 179.225 177.864 1.361 1
1 1231 . 15 1 1 A 104 104 MET N N 104 120.390 118.635 1.755 1
1 1232 . 15 1 1 A 104 104 MET H H 104 8.112 8.860 -0.748 1
1 1233 . 15 1 1 A 104 104 MET CA C 104 58.991 58.438 0.553 1
1 1234 . 15 1 1 A 104 104 MET HA H 104 4.047 4.231 -0.184 1
1 1235 . 15 1 1 A 104 104 MET CB C 104 31.979 32.145 -0.166 1
1 1245 . 15 1 1 A 104 104 MET C C 104 178.210 178.158 0.052 1
1 1246 . 15 1 1 A 105 105 TYR N N 105 120.956 122.070 -1.114 1
1 1247 . 15 1 1 A 105 105 TYR H H 105 8.185 7.737 0.448 1
1 1248 . 15 1 1 A 105 105 TYR CA C 105 61.449 61.554 -0.105 1
1 1249 . 15 1 1 A 105 105 TYR HA H 105 4.317 4.129 0.188 1
1 1250 . 15 1 1 A 105 105 TYR CB C 105 40.259 38.733 1.526 1
1 1261 . 15 1 1 A 105 105 TYR C C 105 177.805 177.265 0.540 1
1 1262 . 15 1 1 A 106 106 LEU N N 106 116.468 120.846 -4.378 1
1 1263 . 15 1 1 A 106 106 LEU H H 106 9.088 8.832 0.256 1
1 1264 . 15 1 1 A 106 106 LEU CA C 106 57.744 58.000 -0.256 1
1 1265 . 15 1 1 A 106 106 LEU HA H 106 4.139 4.068 0.071 1
1 1266 . 15 1 1 A 106 106 LEU CB C 106 42.285 41.249 1.036 1
1 1279 . 15 1 1 A 106 106 LEU C C 106 180.758 179.033 1.725 1
1 1280 . 15 1 1 A 107 107 SER N N 107 114.570 114.262 0.308 1
1 1281 . 15 1 1 A 107 107 SER H H 107 8.338 8.237 0.101 1
1 1282 . 15 1 1 A 107 107 SER CA C 107 63.030 62.155 0.875 1
1 1283 . 15 1 1 A 107 107 SER HA H 107 4.016 4.048 -0.032 1
1 1284 . 15 1 1 A 107 107 SER CB C 107 62.866 62.735 0.131 1
1 1287 . 15 1 1 A 107 107 SER C C 107 175.377 176.349 -0.972 1
1 1288 . 15 1 1 A 108 108 LYS N N 108 120.221 121.406 -1.185 1
1 1289 . 15 1 1 A 108 108 LYS H H 108 7.522 7.840 -0.318 1
1 1290 . 15 1 1 A 108 108 LYS CA C 108 58.870 58.623 0.247 1
1 1291 . 15 1 1 A 108 108 LYS HA H 108 3.910 3.861 0.049 1
1 1292 . 15 1 1 A 108 108 LYS CB C 108 31.719 31.954 -0.235 1
1 1304 . 15 1 1 A 108 108 LYS C C 108 179.587 179.197 0.390 1
1 1305 . 15 1 1 A 109 109 PHE N N 109 118.900 119.403 -0.503 1
1 1306 . 15 1 1 A 109 109 PHE H H 109 7.282 7.857 -0.575 1
1 1307 . 15 1 1 A 109 109 PHE CA C 109 61.501 60.705 0.796 1
1 1308 . 15 1 1 A 109 109 PHE HA H 109 3.550 4.007 -0.457 1
1 1309 . 15 1 1 A 109 109 PHE CB C 109 38.201 38.693 -0.492 1
1 1322 . 15 1 1 A 109 109 PHE C C 109 176.181 177.871 -1.690 1
1 1323 . 15 1 1 A 110 110 TYR N N 110 120.089 119.651 0.438 1
1 1324 . 15 1 1 A 110 110 TYR H H 110 7.417 8.231 -0.814 1
1 1325 . 15 1 1 A 110 110 TYR CA C 110 60.263 61.757 -1.494 1
1 1326 . 15 1 1 A 110 110 TYR HA H 110 2.584 3.361 -0.777 1
1 1327 . 15 1 1 A 110 110 TYR CB C 110 38.138 38.260 -0.122 1
1 1338 . 15 1 1 A 110 110 TYR C C 110 176.298 177.103 -0.805 1
1 1339 . 15 1 1 A 111 111 GLU N N 111 115.750 117.937 -2.187 1
1 1340 . 15 1 1 A 111 111 GLU H H 111 7.899 8.096 -0.197 1
1 1341 . 15 1 1 A 111 111 GLU CA C 111 58.712 58.788 -0.076 1
1 1342 . 15 1 1 A 111 111 GLU HA H 111 3.528 3.816 -0.288 1
1 1343 . 15 1 1 A 111 111 GLU CB C 111 29.429 29.580 -0.151 1
1 1349 . 15 1 1 A 111 111 GLU C C 111 178.367 178.461 -0.094 1
1 1350 . 15 1 1 A 112 112 LEU N N 112 118.646 121.962 -3.316 1
1 1351 . 15 1 1 A 112 112 LEU H H 112 6.922 7.671 -0.749 1
1 1352 . 15 1 1 A 112 112 LEU CA C 112 57.107 57.922 -0.815 1
1 1353 . 15 1 1 A 112 112 LEU HA H 112 3.775 3.782 -0.007 1
1 1354 . 15 1 1 A 112 112 LEU CB C 112 42.499 41.398 1.101 1
1 1367 . 15 1 1 A 112 112 LEU C C 112 178.820 178.163 0.657 1
1 1368 . 15 1 1 A 113 113 PHE N N 113 114.884 117.062 -2.178 1
1 1369 . 15 1 1 A 113 113 PHE H H 113 7.723 7.908 -0.185 1
1 1370 . 15 1 1 A 113 113 PHE CA C 113 57.108 60.760 -3.652 1
1 1371 . 15 1 1 A 113 113 PHE HA H 113 4.495 3.982 0.513 1
1 1372 . 15 1 1 A 113 113 PHE CB C 113 38.324 38.275 0.049 1
1 1385 . 15 1 1 A 113 113 PHE C C 113 177.445 178.012 -0.567 1
1 1386 . 15 1 1 A 114 114 ARG N N 114 119.913 119.364 0.549 1
1 1387 . 15 1 1 A 114 114 ARG H H 114 7.840 7.984 -0.144 1
1 1388 . 15 1 1 A 114 114 ARG CA C 114 57.747 59.604 -1.857 1
1 1389 . 15 1 1 A 114 114 ARG HA H 114 4.164 3.890 0.274 1
1 1390 . 15 1 1 A 114 114 ARG CB C 114 28.994 29.639 -0.645 1
1 1399 . 15 1 1 A 114 114 ARG C C 114 177.051 176.084 0.967 1
1 1400 . 15 1 1 A 115 115 GLY N N 115 108.376 106.630 1.746 1
1 1401 . 15 1 1 A 115 115 GLY H H 115 8.070 7.924 0.146 1
1 1402 . 15 1 1 A 115 115 GLY CA C 115 45.201 45.096 0.105 1
1 1403 . 15 1 1 A 115 115 GLY HA2 H 115 3.873 4.000 -0.127 1
1 1404 . 15 1 1 A 115 115 GLY HA3 H 115 3.988 4.027 -0.039 1
1 1405 . 15 1 1 A 115 115 GLY C C 115 173.987 172.536 1.451 1
1 1406 . 15 1 1 A 116 116 THR N N 116 116.618 113.028 3.590 1
1 1407 . 15 1 1 A 116 116 THR H H 116 7.858 8.421 -0.563 1
1 1408 . 15 1 1 A 116 116 THR CA C 116 60.032 59.902 0.130 1
1 1409 . 15 1 1 A 116 116 THR HA H 116 4.620 4.761 -0.141 1
1 1410 . 15 1 1 A 116 116 THR CB C 116 70.082 69.315 0.767 1
1 1416 . 15 1 1 A 116 116 THR C C 116 172.615 172.742 -0.127 1
1 1417 . 15 1 1 A 117 117 PRO CA C 117 63.086 62.606 0.480 1
1 1418 . 15 1 1 A 117 117 PRO HA H 117 4.451 4.589 -0.138 1
1 1419 . 15 1 1 A 117 117 PRO CB C 117 32.220 31.734 0.486 1
1 1428 . 15 1 1 A 117 117 PRO C C 117 176.812 176.907 -0.095 1
1 1429 . 15 1 1 A 118 118 LEU N N 118 122.695 123.931 -1.236 1
1 1430 . 15 1 1 A 118 118 LEU H H 118 8.424 8.062 0.362 1
1 1431 . 15 1 1 A 118 118 LEU CA C 118 55.266 54.864 0.402 1
1 1432 . 15 1 1 A 118 118 LEU HA H 118 4.276 4.232 0.044 1
1 1433 . 15 1 1 A 118 118 LEU CB C 118 42.339 42.513 -0.174 1
1 1446 . 15 1 1 A 118 118 LEU C C 118 177.027 176.154 0.873 1
1 1447 . 15 1 1 A 119 119 ARG N N 119 122.979 125.067 -2.088 1
1 1448 . 15 1 1 A 119 119 ARG H H 119 8.250 8.666 -0.416 1
1 1449 . 15 1 1 A 119 119 ARG CA C 119 53.688 52.677 1.011 1
1 1450 . 15 1 1 A 119 119 ARG HA H 119 4.644 4.887 -0.243 1
1 1451 . 15 1 1 A 119 119 ARG CB C 119 30.469 31.582 -1.113 1
1 1460 . 15 1 1 A 119 119 ARG C C 119 174.019 174.359 -0.340 1
1 1461 . 15 1 1 A 120 120 PRO CA C 120 63.366 62.523 0.843 1
1 1462 . 15 1 1 A 120 120 PRO HA H 120 4.440 4.551 -0.111 1
1 1463 . 15 1 1 A 120 120 PRO CB C 120 31.958 32.348 -0.390 1
1 1472 . 15 1 1 A 120 120 PRO C C 120 176.104 176.536 -0.432 1
1 1 . 16 1 1 A 6 6 SER CA C 6 58.867 57.262 1.605 1
1 2 . 16 1 1 A 6 6 SER HA H 6 4.432 4.914 -0.482 1
1 3 . 16 1 1 A 6 6 SER CB C 6 63.603 62.619 0.984 1
1 6 . 16 1 1 A 6 6 SER C C 6 175.018 174.954 0.064 1
1 7 . 16 1 1 A 7 7 GLY N N 7 110.530 114.507 -3.977 1
1 8 . 16 1 1 A 7 7 GLY H H 7 8.382 8.200 0.182 1
1 9 . 16 1 1 A 7 7 GLY CA C 7 45.311 45.396 -0.085 1
1 10 . 16 1 1 A 7 7 GLY HA2 H 7 3.922 4.000 -0.078 1
1 11 . 16 1 1 A 7 7 GLY HA3 H 7 3.922 4.000 -0.078 1
1 12 . 16 1 1 A 7 7 GLY C C 7 173.740 174.361 -0.621 1
1 13 . 16 1 1 A 8 8 ASP N N 8 120.471 121.116 -0.645 1
1 14 . 16 1 1 A 8 8 ASP H H 8 8.121 8.058 0.063 1
1 15 . 16 1 1 A 8 8 ASP CA C 8 54.214 55.166 -0.952 1
1 16 . 16 1 1 A 8 8 ASP HA H 8 4.560 4.592 -0.032 1
1 17 . 16 1 1 A 8 8 ASP CB C 8 41.172 41.899 -0.727 1
1 20 . 16 1 1 A 8 8 ASP C C 8 176.082 175.278 0.804 1
1 21 . 16 1 1 A 9 9 ILE N N 9 121.785 121.617 0.168 1
1 22 . 16 1 1 A 9 9 ILE H H 9 8.115 8.503 -0.388 1
1 23 . 16 1 1 A 9 9 ILE CA C 9 60.327 59.943 0.384 1
1 24 . 16 1 1 A 9 9 ILE HA H 9 4.083 4.549 -0.466 1
1 25 . 16 1 1 A 9 9 ILE CB C 9 38.394 38.997 -0.603 1
1 38 . 16 1 1 A 9 9 ILE C C 9 175.579 175.611 -0.032 1
1 39 . 16 1 1 A 10 10 ARG N N 10 125.977 125.135 0.842 1
1 40 . 16 1 1 A 10 10 ARG H H 10 8.319 9.060 -0.741 1
1 41 . 16 1 1 A 10 10 ARG CA C 10 54.661 59.508 -4.847 1
1 42 . 16 1 1 A 10 10 ARG HA H 10 4.493 4.418 0.075 1
1 43 . 16 1 1 A 10 10 ARG CB C 10 29.730 30.773 -1.043 1
1 52 . 16 1 1 A 10 10 ARG C C 10 175.511 177.276 -1.765 1
1 53 . 16 1 1 A 11 11 PRO CA C 11 65.595 64.017 1.578 1
1 54 . 16 1 1 A 11 11 PRO HA H 11 4.064 4.374 -0.310 1
1 55 . 16 1 1 A 11 11 PRO CB C 11 31.690 31.693 -0.003 1
1 64 . 16 1 1 A 12 12 SER CA C 12 60.656 61.163 -0.507 1
1 65 . 16 1 1 A 12 12 SER HA H 12 4.194 4.239 -0.045 1
1 66 . 16 1 1 A 12 12 SER CB C 12 62.321 62.607 -0.286 1
1 69 . 16 1 1 A 13 13 LYS H H 13 7.510 7.248 0.262 1
1 70 . 16 1 1 A 13 13 LYS CA C 13 58.585 59.042 -0.457 1
1 71 . 16 1 1 A 13 13 LYS HA H 13 4.186 4.174 0.012 1
1 72 . 16 1 1 A 13 13 LYS CB C 13 32.274 32.517 -0.243 1
1 84 . 16 1 1 A 13 13 LYS C C 13 179.028 178.785 0.243 1
1 85 . 16 1 1 A 14 14 LEU N N 14 121.315 121.892 -0.577 1
1 86 . 16 1 1 A 14 14 LEU H H 14 7.968 8.059 -0.091 1
1 87 . 16 1 1 A 14 14 LEU CA C 14 57.648 58.006 -0.358 1
1 88 . 16 1 1 A 14 14 LEU HA H 14 3.889 3.381 0.508 1
1 89 . 16 1 1 A 14 14 LEU CB C 14 42.171 41.419 0.752 1
1 102 . 16 1 1 A 14 14 LEU C C 14 178.689 178.310 0.379 1
1 103 . 16 1 1 A 15 15 LEU N N 15 120.526 119.714 0.812 1
1 104 . 16 1 1 A 15 15 LEU H H 15 8.546 7.762 0.784 1
1 105 . 16 1 1 A 15 15 LEU CA C 15 59.227 58.384 0.843 1
1 106 . 16 1 1 A 15 15 LEU HA H 15 4.038 4.037 0.001 1
1 107 . 16 1 1 A 15 15 LEU CB C 15 40.993 41.598 -0.605 1
1 120 . 16 1 1 A 15 15 LEU C C 15 178.020 178.769 -0.749 1
1 121 . 16 1 1 A 16 16 THR N N 16 114.667 113.932 0.735 1
1 122 . 16 1 1 A 16 16 THR H H 16 7.945 8.024 -0.079 1
1 123 . 16 1 1 A 16 16 THR CA C 16 66.778 66.888 -0.110 1
1 124 . 16 1 1 A 16 16 THR HA H 16 4.162 3.962 0.200 1
1 125 . 16 1 1 A 16 16 THR CB C 16 68.914 68.801 0.113 1
1 131 . 16 1 1 A 16 16 THR C C 16 176.419 176.481 -0.062 1
1 132 . 16 1 1 A 17 17 TRP N N 17 122.548 121.292 1.256 1
1 133 . 16 1 1 A 17 17 TRP H H 17 8.242 7.971 0.271 1
1 134 . 16 1 1 A 17 17 TRP CA C 17 63.006 61.507 1.499 1
1 135 . 16 1 1 A 17 17 TRP HA H 17 4.442 4.279 0.163 1
1 136 . 16 1 1 A 17 17 TRP CB C 17 28.530 29.846 -1.316 1
1 151 . 16 1 1 A 17 17 TRP C C 17 178.678 177.883 0.795 1
1 152 . 16 1 1 A 18 18 CYS N N 18 117.202 116.673 0.529 1
1 153 . 16 1 1 A 18 18 CYS H H 18 8.993 8.233 0.760 1
1 154 . 16 1 1 A 18 18 CYS CA C 18 64.830 63.370 1.460 1
1 155 . 16 1 1 A 18 18 CYS HA H 18 3.855 3.885 -0.030 1
1 156 . 16 1 1 A 18 18 CYS CB C 18 27.945 27.372 0.573 1
1 159 . 16 1 1 A 18 18 CYS C C 18 178.411 177.220 1.191 1
1 160 . 16 1 1 A 19 19 GLN N N 19 120.296 119.291 1.005 1
1 161 . 16 1 1 A 19 19 GLN H H 19 8.696 8.368 0.328 1
1 162 . 16 1 1 A 19 19 GLN CA C 19 59.705 58.759 0.946 1
1 163 . 16 1 1 A 19 19 GLN HA H 19 3.654 4.114 -0.460 1
1 164 . 16 1 1 A 19 19 GLN CB C 19 27.820 28.755 -0.935 1
1 173 . 16 1 1 A 19 19 GLN C C 19 177.957 178.817 -0.860 1
1 174 . 16 1 1 A 20 20 GLN N N 20 119.247 119.232 0.015 1
1 175 . 16 1 1 A 20 20 GLN H H 20 8.306 8.230 0.076 1
1 176 . 16 1 1 A 20 20 GLN CA C 20 58.838 59.132 -0.294 1
1 177 . 16 1 1 A 20 20 GLN HA H 20 4.016 3.993 0.023 1
1 178 . 16 1 1 A 20 20 GLN CB C 20 28.000 28.243 -0.243 1
1 187 . 16 1 1 A 20 20 GLN C C 20 179.476 178.946 0.530 1
1 188 . 16 1 1 A 21 21 GLN N N 21 113.337 118.552 -5.215 1
1 189 . 16 1 1 A 21 21 GLN H H 21 7.999 7.796 0.203 1
1 190 . 16 1 1 A 21 21 GLN CA C 21 55.909 58.993 -3.084 1
1 191 . 16 1 1 A 21 21 GLN HA H 21 4.043 3.903 0.140 1
1 192 . 16 1 1 A 21 21 GLN CB C 21 27.676 27.955 -0.279 1
1 201 . 16 1 1 A 21 21 GLN C C 21 177.394 178.790 -1.396 1
1 202 . 16 1 1 A 22 22 THR N N 22 103.485 111.708 -8.223 1
1 203 . 16 1 1 A 22 22 THR H H 22 7.119 7.782 -0.663 1
1 204 . 16 1 1 A 22 22 THR CA C 22 61.272 65.376 -4.104 1
1 205 . 16 1 1 A 22 22 THR HA H 22 4.092 3.950 0.142 1
1 206 . 16 1 1 A 22 22 THR CB C 22 69.448 68.517 0.931 1
1 212 . 16 1 1 A 22 22 THR C C 22 174.644 174.877 -0.233 1
1 213 . 16 1 1 A 23 23 GLU N N 23 125.366 122.489 2.877 1
1 214 . 16 1 1 A 23 23 GLU H H 23 6.949 7.988 -1.039 1
1 215 . 16 1 1 A 23 23 GLU CA C 23 58.389 58.589 -0.200 1
1 216 . 16 1 1 A 23 23 GLU HA H 23 3.999 3.927 0.072 1
1 217 . 16 1 1 A 23 23 GLU CB C 23 29.683 29.618 0.065 1
1 223 . 16 1 1 A 23 23 GLU C C 23 177.061 177.493 -0.432 1
1 224 . 16 1 1 A 24 24 GLY N N 24 112.717 115.102 -2.385 1
1 225 . 16 1 1 A 24 24 GLY H H 24 8.732 8.960 -0.228 1
1 226 . 16 1 1 A 24 24 GLY CA C 24 45.326 45.080 0.246 1
1 227 . 16 1 1 A 24 24 GLY HA2 H 24 3.988 3.934 0.054 1
1 228 . 16 1 1 A 24 24 GLY HA3 H 24 3.538 3.943 -0.405 1
1 229 . 16 1 1 A 24 24 GLY C C 24 174.531 173.966 0.565 1
1 230 . 16 1 1 A 25 25 TYR N N 25 120.189 119.698 0.491 1
1 231 . 16 1 1 A 25 25 TYR H H 25 7.488 7.605 -0.117 1
1 232 . 16 1 1 A 25 25 TYR CA C 25 59.028 58.061 0.967 1
1 233 . 16 1 1 A 25 25 TYR HA H 25 3.947 4.406 -0.459 1
1 234 . 16 1 1 A 25 25 TYR CB C 25 37.202 38.755 -1.553 1
1 245 . 16 1 1 A 25 25 TYR C C 25 176.354 175.457 0.897 1
1 246 . 16 1 1 A 26 26 GLN N N 26 125.301 121.282 4.019 1
1 247 . 16 1 1 A 26 26 GLN H H 26 8.877 8.543 0.334 1
1 248 . 16 1 1 A 26 26 GLN CA C 26 56.923 54.675 2.248 1
1 249 . 16 1 1 A 26 26 GLN HA H 26 3.866 4.572 -0.706 1
1 250 . 16 1 1 A 26 26 GLN CB C 26 28.808 30.608 -1.800 1
1 259 . 16 1 1 A 26 26 GLN C C 26 175.582 175.890 -0.308 1
1 260 . 16 1 1 A 27 27 HIS N N 27 111.738 115.769 -4.031 1
1 261 . 16 1 1 A 27 27 HIS H H 27 8.581 8.537 0.044 1
1 262 . 16 1 1 A 27 27 HIS CA C 27 56.937 56.855 0.082 1
1 263 . 16 1 1 A 27 27 HIS HA H 27 4.174 4.063 0.111 1
1 264 . 16 1 1 A 27 27 HIS CB C 27 26.839 26.990 -0.151 1
1 271 . 16 1 1 A 27 27 HIS C C 27 172.979 174.198 -1.219 1
1 272 . 16 1 1 A 28 28 VAL N N 28 118.229 119.111 -0.882 1
1 273 . 16 1 1 A 28 28 VAL H H 28 7.377 7.628 -0.251 1
1 274 . 16 1 1 A 28 28 VAL CA C 28 61.927 61.572 0.355 1
1 275 . 16 1 1 A 28 28 VAL HA H 28 3.922 4.214 -0.292 1
1 276 . 16 1 1 A 28 28 VAL CB C 28 33.373 32.420 0.953 1
1 286 . 16 1 1 A 28 28 VAL C C 28 174.687 174.107 0.580 1
1 287 . 16 1 1 A 29 29 ASN N N 29 125.832 125.468 0.364 1
1 288 . 16 1 1 A 29 29 ASN H H 29 8.604 8.987 -0.383 1
1 289 . 16 1 1 A 29 29 ASN CA C 29 52.651 51.394 1.257 1
1 290 . 16 1 1 A 29 29 ASN HA H 29 4.682 5.593 -0.911 1
1 291 . 16 1 1 A 29 29 ASN CB C 29 39.124 39.945 -0.821 1
1 297 . 16 1 1 A 29 29 ASN C C 29 173.380 173.470 -0.090 1
1 298 . 16 1 1 A 30 30 VAL N N 30 125.146 124.954 0.192 1
1 299 . 16 1 1 A 30 30 VAL H H 30 9.203 8.883 0.320 1
1 300 . 16 1 1 A 30 30 VAL CA C 30 63.838 62.002 1.836 1
1 301 . 16 1 1 A 30 30 VAL HA H 30 3.699 4.252 -0.553 1
1 302 . 16 1 1 A 30 30 VAL CB C 30 31.136 31.449 -0.313 1
1 312 . 16 1 1 A 30 30 VAL C C 30 176.046 176.130 -0.084 1
1 313 . 16 1 1 A 31 31 THR N N 31 118.952 117.997 0.955 1
1 314 . 16 1 1 A 31 31 THR H H 31 8.396 8.555 -0.159 1
1 315 . 16 1 1 A 31 31 THR CA C 31 60.985 62.157 -1.172 1
1 316 . 16 1 1 A 31 31 THR HA H 31 4.316 4.601 -0.285 1
1 317 . 16 1 1 A 31 31 THR CB C 31 70.087 69.928 0.159 1
1 323 . 16 1 1 A 31 31 THR C C 31 173.296 174.768 -1.472 1
1 324 . 16 1 1 A 32 32 ASP N N 32 120.757 120.570 0.187 1
1 325 . 16 1 1 A 32 32 ASP H H 32 8.078 7.536 0.542 1
1 326 . 16 1 1 A 32 32 ASP CA C 32 53.069 52.999 0.070 1
1 327 . 16 1 1 A 32 32 ASP HA H 32 4.536 5.108 -0.572 1
1 328 . 16 1 1 A 32 32 ASP CB C 32 41.527 44.057 -2.530 1
1 331 . 16 1 1 A 32 32 ASP C C 32 174.931 175.720 -0.789 1
1 332 . 16 1 1 A 33 33 LEU N N 33 117.024 120.394 -3.370 1
1 333 . 16 1 1 A 33 33 LEU H H 33 8.733 8.374 0.359 1
1 334 . 16 1 1 A 33 33 LEU CA C 33 54.453 54.415 0.038 1
1 335 . 16 1 1 A 33 33 LEU HA H 33 4.834 4.821 0.013 1
1 336 . 16 1 1 A 33 33 LEU CB C 33 41.867 41.647 0.220 1
1 349 . 16 1 1 A 33 33 LEU C C 33 174.039 176.971 -2.932 1
1 350 . 16 1 1 A 34 34 THR N N 34 103.873 112.313 -8.440 1
1 351 . 16 1 1 A 34 34 THR H H 34 7.900 7.843 0.057 1
1 352 . 16 1 1 A 34 34 THR CA C 34 60.434 62.600 -2.166 1
1 353 . 16 1 1 A 34 34 THR HA H 34 4.519 4.617 -0.098 1
1 354 . 16 1 1 A 34 34 THR CB C 34 70.237 69.798 0.439 1
1 360 . 16 1 1 A 34 34 THR C C 34 175.954 175.693 0.261 1
1 361 . 16 1 1 A 35 35 THR N N 35 118.103 115.253 2.850 1
1 362 . 16 1 1 A 35 35 THR H H 35 9.363 8.519 0.844 1
1 363 . 16 1 1 A 35 35 THR CA C 35 66.422 65.271 1.151 1
1 364 . 16 1 1 A 35 35 THR HA H 35 3.981 4.108 -0.127 1
1 365 . 16 1 1 A 35 35 THR CB C 35 68.720 68.495 0.225 1
1 371 . 16 1 1 A 35 35 THR C C 35 177.778 176.791 0.987 1
1 372 . 16 1 1 A 36 36 SER N N 36 120.417 116.850 3.567 1
1 373 . 16 1 1 A 36 36 SER H H 36 10.544 8.323 2.221 1
1 374 . 16 1 1 A 36 36 SER CA C 36 61.076 62.652 -1.576 1
1 375 . 16 1 1 A 36 36 SER HA H 36 4.395 4.110 0.285 1
1 376 . 16 1 1 A 36 36 SER CB C 36 63.485 63.295 0.190 1
1 379 . 16 1 1 A 36 36 SER C C 36 173.956 175.586 -1.630 1
1 380 . 16 1 1 A 37 37 TRP N N 37 121.387 117.955 3.432 1
1 381 . 16 1 1 A 37 37 TRP H H 37 8.126 8.078 0.048 1
1 382 . 16 1 1 A 37 37 TRP CA C 37 57.689 56.484 1.205 1
1 383 . 16 1 1 A 37 37 TRP HA H 37 4.340 4.961 -0.621 1
1 384 . 16 1 1 A 37 37 TRP CB C 37 28.915 28.967 -0.052 1
1 399 . 16 1 1 A 37 37 TRP C C 37 176.751 176.894 -0.143 1
1 400 . 16 1 1 A 38 38 ARG N N 38 121.787 119.519 2.268 1
1 401 . 16 1 1 A 38 38 ARG H H 38 7.473 8.573 -1.100 1
1 402 . 16 1 1 A 38 38 ARG CA C 38 60.250 58.812 1.438 1
1 403 . 16 1 1 A 38 38 ARG HA H 38 4.065 4.217 -0.152 1
1 404 . 16 1 1 A 38 38 ARG CB C 38 30.807 30.212 0.595 1
1 415 . 16 1 1 A 38 38 ARG C C 38 177.636 178.448 -0.812 1
1 416 . 16 1 1 A 39 39 SER N N 39 110.340 114.198 -3.858 1
1 417 . 16 1 1 A 39 39 SER H H 39 8.665 7.713 0.952 1
1 418 . 16 1 1 A 39 39 SER CA C 39 59.336 59.118 0.218 1
1 419 . 16 1 1 A 39 39 SER HA H 39 4.349 4.476 -0.127 1
1 420 . 16 1 1 A 39 39 SER CB C 39 64.907 63.837 1.070 1
1 423 . 16 1 1 A 39 39 SER C C 39 174.768 174.621 0.147 1
1 424 . 16 1 1 A 40 40 GLY N N 40 109.467 108.595 0.872 1
1 425 . 16 1 1 A 40 40 GLY H H 40 7.549 7.905 -0.356 1
1 426 . 16 1 1 A 40 40 GLY CA C 40 46.347 45.307 1.040 1
1 427 . 16 1 1 A 40 40 GLY HA2 H 40 3.875 3.929 -0.054 1
1 428 . 16 1 1 A 40 40 GLY HA3 H 40 3.915 3.969 -0.054 1
1 429 . 16 1 1 A 40 40 GLY C C 40 173.725 175.052 -1.327 1
1 430 . 16 1 1 A 41 41 LEU N N 41 117.562 120.187 -2.625 1
1 431 . 16 1 1 A 41 41 LEU H H 41 7.287 8.019 -0.732 1
1 432 . 16 1 1 A 41 41 LEU CA C 41 57.482 56.691 0.791 1
1 433 . 16 1 1 A 41 41 LEU HA H 41 3.882 4.226 -0.344 1
1 434 . 16 1 1 A 41 41 LEU CB C 41 42.615 41.755 0.860 1
1 447 . 16 1 1 A 41 41 LEU C C 41 178.159 178.539 -0.380 1
1 448 . 16 1 1 A 42 42 ALA N N 42 121.758 122.284 -0.526 1
1 449 . 16 1 1 A 42 42 ALA H H 42 8.506 8.297 0.209 1
1 450 . 16 1 1 A 42 42 ALA CA C 42 55.694 55.051 0.643 1
1 451 . 16 1 1 A 42 42 ALA HA H 42 3.582 3.810 -0.228 1
1 452 . 16 1 1 A 42 42 ALA CB C 42 17.039 17.502 -0.463 1
1 456 . 16 1 1 A 42 42 ALA C C 42 178.076 179.326 -1.250 1
1 457 . 16 1 1 A 43 43 LEU N N 43 118.332 119.118 -0.786 1
1 458 . 16 1 1 A 43 43 LEU H H 43 8.933 7.911 1.022 1
1 459 . 16 1 1 A 43 43 LEU CA C 43 57.425 57.828 -0.403 1
1 460 . 16 1 1 A 43 43 LEU HA H 43 4.308 4.217 0.091 1
1 461 . 16 1 1 A 43 43 LEU CB C 43 42.068 41.705 0.363 1
1 474 . 16 1 1 A 43 43 LEU C C 43 179.198 178.501 0.697 1
1 475 . 16 1 1 A 44 44 CYS N N 44 115.098 117.259 -2.161 1
1 476 . 16 1 1 A 44 44 CYS H H 44 7.607 8.296 -0.689 1
1 477 . 16 1 1 A 44 44 CYS CA C 44 65.664 62.674 2.990 1
1 478 . 16 1 1 A 44 44 CYS HA H 44 4.035 4.098 -0.063 1
1 479 . 16 1 1 A 44 44 CYS CB C 44 27.516 26.306 1.210 1
1 482 . 16 1 1 A 44 44 CYS C C 44 176.222 177.098 -0.876 1
1 483 . 16 1 1 A 45 45 ALA N N 45 121.778 121.845 -0.067 1
1 484 . 16 1 1 A 45 45 ALA H H 45 8.435 7.803 0.632 1
1 485 . 16 1 1 A 45 45 ALA CA C 45 55.306 55.045 0.261 1
1 486 . 16 1 1 A 45 45 ALA HA H 45 3.184 3.847 -0.663 1
1 487 . 16 1 1 A 45 45 ALA CB C 45 17.395 17.326 0.069 1
1 491 . 16 1 1 A 45 45 ALA C C 45 177.510 180.085 -2.575 1
1 492 . 16 1 1 A 46 46 ILE N N 46 116.463 118.715 -2.252 1
1 493 . 16 1 1 A 46 46 ILE H H 46 7.527 7.570 -0.043 1
1 494 . 16 1 1 A 46 46 ILE CA C 46 65.137 64.899 0.238 1
1 495 . 16 1 1 A 46 46 ILE HA H 46 3.267 3.607 -0.340 1
1 496 . 16 1 1 A 46 46 ILE CB C 46 37.084 37.940 -0.856 1
1 509 . 16 1 1 A 46 46 ILE C C 46 176.744 178.456 -1.712 1
1 510 . 16 1 1 A 47 47 ILE N N 47 115.676 120.044 -4.368 1
1 511 . 16 1 1 A 47 47 ILE H H 47 7.786 8.012 -0.226 1
1 512 . 16 1 1 A 47 47 ILE CA C 47 66.948 65.152 1.796 1
1 513 . 16 1 1 A 47 47 ILE HA H 47 3.754 3.673 0.081 1
1 514 . 16 1 1 A 47 47 ILE CB C 47 38.335 37.987 0.348 1
1 527 . 16 1 1 A 47 47 ILE C C 47 176.853 178.402 -1.549 1
1 528 . 16 1 1 A 48 48 HIS N N 48 120.066 119.355 0.711 1
1 529 . 16 1 1 A 48 48 HIS H H 48 8.569 8.901 -0.332 1
1 530 . 16 1 1 A 48 48 HIS CA C 48 60.767 60.131 0.636 1
1 531 . 16 1 1 A 48 48 HIS HA H 48 3.918 4.411 -0.493 1
1 532 . 16 1 1 A 48 48 HIS CB C 48 31.245 29.759 1.486 1
1 539 . 16 1 1 A 48 48 HIS C C 48 175.841 177.035 -1.194 1
1 540 . 16 1 1 A 49 49 ARG N N 49 118.781 118.185 0.596 1
1 541 . 16 1 1 A 49 49 ARG H H 49 8.572 8.430 0.142 1
1 542 . 16 1 1 A 49 49 ARG CA C 49 58.152 59.269 -1.117 1
1 543 . 16 1 1 A 49 49 ARG HA H 49 3.680 3.965 -0.285 1
1 544 . 16 1 1 A 49 49 ARG CB C 49 28.454 30.183 -1.729 1
1 555 . 16 1 1 A 49 49 ARG C C 49 177.830 179.029 -1.199 1
1 556 . 16 1 1 A 50 50 PHE N N 50 113.909 117.991 -4.082 1
1 557 . 16 1 1 A 50 50 PHE H H 50 6.900 7.813 -0.913 1
1 558 . 16 1 1 A 50 50 PHE CA C 50 59.885 59.797 0.088 1
1 559 . 16 1 1 A 50 50 PHE HA H 50 4.281 4.364 -0.083 1
1 560 . 16 1 1 A 50 50 PHE CB C 50 41.527 39.774 1.753 1
1 573 . 16 1 1 A 50 50 PHE C C 50 176.867 176.035 0.832 1
1 574 . 16 1 1 A 51 51 ARG N N 51 120.652 118.816 1.836 1
1 575 . 16 1 1 A 51 51 ARG H H 51 9.059 8.566 0.493 1
1 576 . 16 1 1 A 51 51 ARG CA C 51 51.499 53.810 -2.311 1
1 577 . 16 1 1 A 51 51 ARG HA H 51 4.942 4.814 0.128 1
1 578 . 16 1 1 A 51 51 ARG CB C 51 30.307 30.680 -0.373 1
1 589 . 16 1 1 A 51 51 ARG C C 51 172.670 174.631 -1.961 1
1 590 . 16 1 1 A 52 52 PRO CA C 52 64.948 64.263 0.685 1
1 591 . 16 1 1 A 52 52 PRO HA H 52 4.343 4.439 -0.096 1
1 592 . 16 1 1 A 52 52 PRO CB C 52 31.091 31.642 -0.551 1
1 601 . 16 1 1 A 52 52 PRO C C 52 177.406 177.928 -0.522 1
1 602 . 16 1 1 A 53 53 GLU N N 53 118.219 118.401 -0.182 1
1 603 . 16 1 1 A 53 53 GLU H H 53 9.784 8.278 1.506 1
1 604 . 16 1 1 A 53 53 GLU CA C 53 57.285 59.558 -2.273 1
1 605 . 16 1 1 A 53 53 GLU HA H 53 4.322 4.165 0.157 1
1 606 . 16 1 1 A 53 53 GLU CB C 53 27.771 29.391 -1.620 1
1 612 . 16 1 1 A 53 53 GLU C C 53 177.957 179.117 -1.160 1
1 613 . 16 1 1 A 54 54 LEU N N 54 119.316 118.140 1.176 1
1 614 . 16 1 1 A 54 54 LEU H H 54 8.212 7.543 0.669 1
1 615 . 16 1 1 A 54 54 LEU CA C 54 55.943 56.736 -0.793 1
1 616 . 16 1 1 A 54 54 LEU HA H 54 4.337 4.204 0.133 1
1 617 . 16 1 1 A 54 54 LEU CB C 54 43.122 43.082 0.040 1
1 630 . 16 1 1 A 54 54 LEU C C 54 177.159 177.026 0.133 1
1 631 . 16 1 1 A 55 55 ILE N N 55 115.493 117.982 -2.489 1
1 632 . 16 1 1 A 55 55 ILE H H 55 6.990 7.353 -0.363 1
1 633 . 16 1 1 A 55 55 ILE CA C 55 59.645 59.802 -0.157 1
1 634 . 16 1 1 A 55 55 ILE HA H 55 4.230 4.781 -0.551 1
1 635 . 16 1 1 A 55 55 ILE CB C 55 43.159 42.008 1.151 1
1 648 . 16 1 1 A 55 55 ILE C C 55 173.302 174.452 -1.150 1
1 649 . 16 1 1 A 56 56 ASN N N 56 124.568 125.346 -0.778 1
1 650 . 16 1 1 A 56 56 ASN H H 56 8.984 8.874 0.110 1
1 651 . 16 1 1 A 56 56 ASN CA C 56 51.198 51.485 -0.287 1
1 652 . 16 1 1 A 56 56 ASN HA H 56 5.100 5.155 -0.055 1
1 653 . 16 1 1 A 56 56 ASN CB C 56 36.452 39.286 -2.834 1
1 659 . 16 1 1 A 56 56 ASN C C 56 175.902 175.503 0.399 1
1 660 . 16 1 1 A 57 57 PHE N N 57 126.548 126.543 0.005 1
1 661 . 16 1 1 A 57 57 PHE H H 57 7.219 8.762 -1.543 1
1 662 . 16 1 1 A 57 57 PHE CA C 57 62.399 62.539 -0.140 1
1 663 . 16 1 1 A 57 57 PHE HA H 57 3.514 3.874 -0.360 1
1 664 . 16 1 1 A 57 57 PHE CB C 57 39.553 39.632 -0.079 1
1 677 . 16 1 1 A 57 57 PHE C C 57 176.597 176.560 0.037 1
1 678 . 16 1 1 A 58 58 ASP N N 58 116.755 118.090 -1.335 1
1 679 . 16 1 1 A 58 58 ASP H H 58 8.691 8.475 0.216 1
1 680 . 16 1 1 A 58 58 ASP CA C 58 56.635 57.283 -0.648 1
1 681 . 16 1 1 A 58 58 ASP HA H 58 4.324 4.351 -0.027 1
1 682 . 16 1 1 A 58 58 ASP CB C 58 40.262 40.308 -0.046 1
1 685 . 16 1 1 A 58 58 ASP C C 58 176.562 178.453 -1.891 1
1 686 . 16 1 1 A 59 59 SER N N 59 112.320 113.321 -1.001 1
1 687 . 16 1 1 A 59 59 SER H H 59 7.412 8.101 -0.689 1
1 688 . 16 1 1 A 59 59 SER CA C 59 58.740 61.202 -2.462 1
1 689 . 16 1 1 A 59 59 SER HA H 59 4.365 4.270 0.095 1
1 690 . 16 1 1 A 59 59 SER CB C 59 64.598 62.973 1.625 1
1 693 . 16 1 1 A 59 59 SER C C 59 174.309 174.698 -0.389 1
1 694 . 16 1 1 A 60 60 LEU N N 60 121.693 121.824 -0.131 1
1 695 . 16 1 1 A 60 60 LEU H H 60 7.176 7.395 -0.219 1
1 696 . 16 1 1 A 60 60 LEU CA C 60 54.593 55.632 -1.039 1
1 697 . 16 1 1 A 60 60 LEU HA H 60 4.196 3.998 0.198 1
1 698 . 16 1 1 A 60 60 LEU CB C 60 40.943 41.931 -0.988 1
1 711 . 16 1 1 A 60 60 LEU C C 60 176.774 175.893 0.881 1
1 712 . 16 1 1 A 61 61 ASN N N 61 121.648 124.250 -2.602 1
1 713 . 16 1 1 A 61 61 ASN H H 61 9.391 8.400 0.991 1
1 714 . 16 1 1 A 61 61 ASN CA C 61 51.763 51.603 0.160 1
1 715 . 16 1 1 A 61 61 ASN HA H 61 4.721 4.892 -0.171 1
1 716 . 16 1 1 A 61 61 ASN CB C 61 40.025 39.640 0.385 1
1 722 . 16 1 1 A 61 61 ASN C C 61 176.599 175.320 1.279 1
1 723 . 16 1 1 A 62 62 GLU N N 62 126.707 126.813 -0.106 1
1 724 . 16 1 1 A 62 62 GLU H H 62 9.255 8.810 0.445 1
1 725 . 16 1 1 A 62 62 GLU CA C 62 58.926 60.449 -1.523 1
1 726 . 16 1 1 A 62 62 GLU HA H 62 3.688 3.839 -0.151 1
1 727 . 16 1 1 A 62 62 GLU CB C 62 29.479 29.554 -0.075 1
1 733 . 16 1 1 A 62 62 GLU C C 62 176.196 177.834 -1.638 1
1 734 . 16 1 1 A 63 63 ASP N N 63 116.763 119.895 -3.132 1
1 735 . 16 1 1 A 63 63 ASP H H 63 8.317 8.512 -0.195 1
1 736 . 16 1 1 A 63 63 ASP CA C 63 55.499 57.600 -2.101 1
1 737 . 16 1 1 A 63 63 ASP HA H 63 4.509 4.378 0.131 1
1 738 . 16 1 1 A 63 63 ASP CB C 63 40.697 41.766 -1.069 1
1 741 . 16 1 1 A 63 63 ASP C C 63 177.195 177.285 -0.090 1
1 742 . 16 1 1 A 64 64 ASP N N 64 123.036 117.211 5.825 1
1 743 . 16 1 1 A 64 64 ASP H H 64 7.422 8.299 -0.877 1
1 744 . 16 1 1 A 64 64 ASP CA C 64 52.760 53.636 -0.876 1
1 745 . 16 1 1 A 64 64 ASP HA H 64 4.949 4.939 0.010 1
1 746 . 16 1 1 A 64 64 ASP CB C 64 38.920 39.982 -1.062 1
1 749 . 16 1 1 A 64 64 ASP C C 64 174.979 176.150 -1.171 1
1 750 . 16 1 1 A 65 65 ALA N N 65 123.411 123.073 0.338 1
1 751 . 16 1 1 A 65 65 ALA H H 65 7.527 7.742 -0.215 1
1 752 . 16 1 1 A 65 65 ALA CA C 65 55.750 55.224 0.526 1
1 753 . 16 1 1 A 65 65 ALA HA H 65 4.295 3.993 0.302 1
1 754 . 16 1 1 A 65 65 ALA CB C 65 19.889 18.602 1.287 1
1 758 . 16 1 1 A 65 65 ALA C C 65 181.114 180.000 1.114 1
1 759 . 16 1 1 A 66 66 VAL N N 66 119.151 118.255 0.896 1
1 760 . 16 1 1 A 66 66 VAL H H 66 8.305 8.114 0.191 1
1 761 . 16 1 1 A 66 66 VAL CA C 66 67.423 66.992 0.431 1
1 762 . 16 1 1 A 66 66 VAL HA H 66 3.292 3.621 -0.329 1
1 763 . 16 1 1 A 66 66 VAL CB C 66 31.418 31.587 -0.169 1
1 773 . 16 1 1 A 66 66 VAL C C 66 177.471 177.960 -0.489 1
1 774 . 16 1 1 A 67 67 GLU N N 67 117.895 118.995 -1.100 1
1 775 . 16 1 1 A 67 67 GLU H H 67 8.256 8.029 0.227 1
1 776 . 16 1 1 A 67 67 GLU CA C 67 59.831 59.696 0.135 1
1 777 . 16 1 1 A 67 67 GLU HA H 67 3.901 3.976 -0.075 1
1 778 . 16 1 1 A 67 67 GLU CB C 67 28.963 29.579 -0.616 1
1 784 . 16 1 1 A 67 67 GLU C C 67 179.796 179.452 0.344 1
1 785 . 16 1 1 A 68 68 ASN N N 68 119.611 118.367 1.244 1
1 786 . 16 1 1 A 68 68 ASN H H 68 9.019 8.450 0.569 1
1 787 . 16 1 1 A 68 68 ASN CA C 68 55.797 56.338 -0.541 1
1 788 . 16 1 1 A 68 68 ASN HA H 68 4.325 4.396 -0.071 1
1 789 . 16 1 1 A 68 68 ASN CB C 68 37.140 38.347 -1.207 1
1 795 . 16 1 1 A 68 68 ASN C C 68 177.193 178.145 -0.952 1
1 796 . 16 1 1 A 69 69 ASN N N 69 115.555 117.996 -2.441 1
1 797 . 16 1 1 A 69 69 ASN H H 69 7.589 8.381 -0.792 1
1 798 . 16 1 1 A 69 69 ASN CA C 69 57.155 56.350 0.805 1
1 799 . 16 1 1 A 69 69 ASN HA H 69 3.880 4.214 -0.334 1
1 800 . 16 1 1 A 69 69 ASN CB C 69 40.785 38.207 2.578 1
1 806 . 16 1 1 A 69 69 ASN C C 69 175.062 177.507 -2.445 1
1 807 . 16 1 1 A 70 70 GLN N N 70 115.794 120.059 -4.265 1
1 808 . 16 1 1 A 70 70 GLN H H 70 8.058 7.900 0.158 1
1 809 . 16 1 1 A 70 70 GLN CA C 70 58.400 59.038 -0.638 1
1 810 . 16 1 1 A 70 70 GLN HA H 70 3.591 4.347 -0.756 1
1 811 . 16 1 1 A 70 70 GLN CB C 70 29.420 28.464 0.956 1
1 820 . 16 1 1 A 70 70 GLN C C 70 176.954 177.961 -1.007 1
1 821 . 16 1 1 A 71 71 LEU N N 71 118.631 120.890 -2.259 1
1 822 . 16 1 1 A 71 71 LEU H H 71 8.090 8.093 -0.003 1
1 823 . 16 1 1 A 71 71 LEU CA C 71 58.121 58.489 -0.368 1
1 824 . 16 1 1 A 71 71 LEU HA H 71 4.291 4.024 0.267 1
1 825 . 16 1 1 A 71 71 LEU CB C 71 42.100 41.956 0.144 1
1 838 . 16 1 1 A 71 71 LEU C C 71 177.664 178.338 -0.674 1
1 839 . 16 1 1 A 72 72 ALA N N 72 119.977 120.247 -0.270 1
1 840 . 16 1 1 A 72 72 ALA H H 72 7.274 7.998 -0.724 1
1 841 . 16 1 1 A 72 72 ALA CA C 72 55.807 55.125 0.682 1
1 842 . 16 1 1 A 72 72 ALA HA H 72 3.873 4.045 -0.172 1
1 843 . 16 1 1 A 72 72 ALA CB C 72 18.412 18.435 -0.023 1
1 847 . 16 1 1 A 72 72 ALA C C 72 179.676 179.895 -0.219 1
1 848 . 16 1 1 A 73 73 PHE N N 73 115.018 116.030 -1.012 1
1 849 . 16 1 1 A 73 73 PHE H H 73 8.722 7.715 1.007 1
1 850 . 16 1 1 A 73 73 PHE CA C 73 56.889 61.814 -4.925 1
1 851 . 16 1 1 A 73 73 PHE HA H 73 4.848 4.568 0.280 1
1 852 . 16 1 1 A 73 73 PHE CB C 73 37.404 38.788 -1.384 1
1 865 . 16 1 1 A 73 73 PHE C C 73 180.123 178.043 2.080 1
1 866 . 16 1 1 A 74 74 ASP N N 74 122.136 119.264 2.872 1
1 867 . 16 1 1 A 74 74 ASP H H 74 9.262 8.721 0.541 1
1 868 . 16 1 1 A 74 74 ASP CA C 74 57.648 57.678 -0.030 1
1 869 . 16 1 1 A 74 74 ASP HA H 74 4.550 4.378 0.172 1
1 870 . 16 1 1 A 74 74 ASP CB C 74 40.073 41.651 -1.578 1
1 873 . 16 1 1 A 74 74 ASP C C 74 179.818 178.865 0.953 1
1 874 . 16 1 1 A 75 75 VAL N N 75 122.521 118.877 3.644 1
1 875 . 16 1 1 A 75 75 VAL H H 75 9.080 8.601 0.479 1
1 876 . 16 1 1 A 75 75 VAL CA C 75 66.894 66.369 0.525 1
1 877 . 16 1 1 A 75 75 VAL HA H 75 3.611 3.568 0.043 1
1 878 . 16 1 1 A 75 75 VAL CB C 75 31.943 31.424 0.519 1
1 888 . 16 1 1 A 75 75 VAL C C 75 177.813 178.209 -0.396 1
1 889 . 16 1 1 A 76 76 ALA N N 76 121.109 122.114 -1.005 1
1 890 . 16 1 1 A 76 76 ALA H H 76 8.813 8.200 0.613 1
1 891 . 16 1 1 A 76 76 ALA CA C 76 55.181 55.287 -0.106 1
1 892 . 16 1 1 A 76 76 ALA HA H 76 4.092 3.979 0.113 1
1 893 . 16 1 1 A 76 76 ALA CB C 76 19.324 18.490 0.834 1
1 897 . 16 1 1 A 76 76 ALA C C 76 180.373 180.524 -0.151 1
1 898 . 16 1 1 A 77 77 GLU N N 77 120.309 118.634 1.675 1
1 899 . 16 1 1 A 77 77 GLU H H 77 8.257 8.312 -0.055 1
1 900 . 16 1 1 A 77 77 GLU CA C 77 59.818 58.687 1.131 1
1 901 . 16 1 1 A 77 77 GLU HA H 77 3.982 4.269 -0.287 1
1 902 . 16 1 1 A 77 77 GLU CB C 77 30.530 29.797 0.733 1
1 908 . 16 1 1 A 77 77 GLU C C 77 178.591 177.787 0.804 1
1 909 . 16 1 1 A 78 78 ARG N N 78 119.060 118.344 0.716 1
1 910 . 16 1 1 A 78 78 ARG H H 78 8.325 7.652 0.673 1
1 911 . 16 1 1 A 78 78 ARG CA C 78 59.232 57.023 2.209 1
1 912 . 16 1 1 A 78 78 ARG HA H 78 4.048 4.437 -0.389 1
1 913 . 16 1 1 A 78 78 ARG CB C 78 31.462 30.960 0.502 1
1 924 . 16 1 1 A 78 78 ARG C C 78 178.327 177.736 0.591 1
1 925 . 16 1 1 A 79 79 GLU N N 79 114.012 118.389 -4.377 1
1 926 . 16 1 1 A 79 79 GLU H H 79 8.878 8.327 0.551 1
1 927 . 16 1 1 A 79 79 GLU CA C 79 56.599 58.290 -1.691 1
1 928 . 16 1 1 A 79 79 GLU HA H 79 4.329 4.257 0.072 1
1 929 . 16 1 1 A 79 79 GLU CB C 79 28.771 30.379 -1.608 1
1 935 . 16 1 1 A 79 79 GLU C C 79 178.301 178.044 0.257 1
1 936 . 16 1 1 A 80 80 PHE N N 80 113.394 117.203 -3.809 1
1 937 . 16 1 1 A 80 80 PHE H H 80 6.906 7.111 -0.205 1
1 938 . 16 1 1 A 80 80 PHE CA C 80 53.518 58.066 -4.548 1
1 939 . 16 1 1 A 80 80 PHE HA H 80 5.246 4.630 0.616 1
1 940 . 16 1 1 A 80 80 PHE CB C 80 39.910 39.385 0.525 1
1 953 . 16 1 1 A 80 80 PHE C C 80 176.487 176.265 0.222 1
1 954 . 16 1 1 A 81 81 GLY N N 81 108.698 108.949 -0.251 1
1 955 . 16 1 1 A 81 81 GLY H H 81 7.352 8.206 -0.854 1
1 956 . 16 1 1 A 81 81 GLY CA C 81 46.520 46.685 -0.165 1
1 957 . 16 1 1 A 81 81 GLY HA2 H 81 3.975 4.050 -0.075 1
1 958 . 16 1 1 A 81 81 GLY HA3 H 81 3.975 4.052 -0.077 1
1 959 . 16 1 1 A 81 81 GLY C C 81 174.711 174.591 0.120 1
1 960 . 16 1 1 A 82 82 ILE N N 82 122.486 122.403 0.083 1
1 961 . 16 1 1 A 82 82 ILE H H 82 7.507 8.154 -0.647 1
1 962 . 16 1 1 A 82 82 ILE CA C 82 58.810 58.136 0.674 1
1 963 . 16 1 1 A 82 82 ILE HA H 82 4.285 4.456 -0.171 1
1 964 . 16 1 1 A 82 82 ILE CB C 82 39.376 39.644 -0.268 1
1 977 . 16 1 1 A 82 82 ILE C C 82 172.836 174.906 -2.070 1
1 978 . 16 1 1 A 83 83 PRO CA C 83 60.989 62.139 -1.150 1
1 979 . 16 1 1 A 83 83 PRO HA H 83 4.589 4.719 -0.130 1
1 980 . 16 1 1 A 83 83 PRO CB C 83 31.107 32.345 -1.238 1
1 989 . 16 1 1 A 84 84 PRO CA C 84 62.860 62.582 0.278 1
1 990 . 16 1 1 A 84 84 PRO HA H 84 4.405 4.464 -0.059 1
1 991 . 16 1 1 A 84 84 PRO CB C 84 32.638 32.263 0.375 1
1 1000 . 16 1 1 A 84 84 PRO C C 84 177.894 176.994 0.900 1
1 1001 . 16 1 1 A 85 85 VAL N N 85 114.062 116.261 -2.199 1
1 1002 . 16 1 1 A 85 85 VAL H H 85 6.621 7.688 -1.067 1
1 1003 . 16 1 1 A 85 85 VAL CA C 85 61.000 63.151 -2.151 1
1 1004 . 16 1 1 A 85 85 VAL HA H 85 4.080 3.967 0.113 1
1 1005 . 16 1 1 A 85 85 VAL CB C 85 32.725 32.196 0.529 1
1 1015 . 16 1 1 A 85 85 VAL C C 85 174.315 175.621 -1.306 1
1 1016 . 16 1 1 A 86 86 THR N N 86 114.774 114.410 0.364 1
1 1017 . 16 1 1 A 86 86 THR H H 86 6.827 7.185 -0.358 1
1 1018 . 16 1 1 A 86 86 THR CA C 86 59.336 59.697 -0.361 1
1 1019 . 16 1 1 A 86 86 THR HA H 86 4.442 4.669 -0.227 1
1 1020 . 16 1 1 A 86 86 THR CB C 86 68.016 71.610 -3.594 1
1 1026 . 16 1 1 A 86 86 THR C C 86 172.724 172.358 0.366 1
1 1027 . 16 1 1 A 87 87 THR N N 87 109.655 116.617 -6.962 1
1 1028 . 16 1 1 A 87 87 THR H H 87 8.313 8.425 -0.112 1
1 1029 . 16 1 1 A 87 87 THR CA C 87 59.870 60.120 -0.250 1
1 1030 . 16 1 1 A 87 87 THR HA H 87 5.000 4.689 0.311 1
1 1031 . 16 1 1 A 87 87 THR CB C 87 72.527 70.578 1.949 1
1 1037 . 16 1 1 A 87 87 THR C C 87 176.440 175.646 0.794 1
1 1038 . 16 1 1 A 88 88 GLY N N 88 110.531 110.695 -0.164 1
1 1039 . 16 1 1 A 88 88 GLY H H 88 9.655 9.029 0.626 1
1 1040 . 16 1 1 A 88 88 GLY CA C 88 49.124 47.663 1.461 1
1 1041 . 16 1 1 A 88 88 GLY HA2 H 88 4.115 3.971 0.144 1
1 1042 . 16 1 1 A 88 88 GLY HA3 H 88 3.755 4.049 -0.294 1
1 1043 . 16 1 1 A 88 88 GLY C C 88 175.154 175.950 -0.796 1
1 1044 . 16 1 1 A 89 89 LYS N N 89 119.606 121.708 -2.102 1
1 1045 . 16 1 1 A 89 89 LYS H H 89 8.542 8.105 0.437 1
1 1046 . 16 1 1 A 89 89 LYS CA C 89 59.687 59.688 -0.001 1
1 1047 . 16 1 1 A 89 89 LYS HA H 89 4.030 3.974 0.056 1
1 1048 . 16 1 1 A 89 89 LYS CB C 89 32.733 32.368 0.365 1
1 1060 . 16 1 1 A 89 89 LYS C C 89 178.921 179.266 -0.345 1
1 1061 . 16 1 1 A 90 90 GLU N N 90 118.992 119.161 -0.169 1
1 1062 . 16 1 1 A 90 90 GLU H H 90 7.610 8.138 -0.528 1
1 1063 . 16 1 1 A 90 90 GLU CA C 90 59.238 59.435 -0.197 1
1 1064 . 16 1 1 A 90 90 GLU HA H 90 4.008 4.088 -0.080 1
1 1065 . 16 1 1 A 90 90 GLU CB C 90 29.946 29.619 0.327 1
1 1071 . 16 1 1 A 90 90 GLU C C 90 179.366 179.087 0.279 1
1 1072 . 16 1 1 A 91 91 MET N N 91 120.109 119.798 0.311 1
1 1073 . 16 1 1 A 91 91 MET H H 91 8.468 8.476 -0.008 1
1 1074 . 16 1 1 A 91 91 MET CA C 91 57.606 58.521 -0.915 1
1 1075 . 16 1 1 A 91 91 MET HA H 91 4.355 4.086 0.269 1
1 1076 . 16 1 1 A 91 91 MET CB C 91 32.364 32.372 -0.008 1
1 1086 . 16 1 1 A 91 91 MET C C 91 177.168 178.196 -1.028 1
1 1087 . 16 1 1 A 92 92 ALA N N 92 115.912 121.609 -5.697 1
1 1088 . 16 1 1 A 92 92 ALA H H 92 7.876 8.184 -0.308 1
1 1089 . 16 1 1 A 92 92 ALA CA C 92 53.278 54.702 -1.424 1
1 1090 . 16 1 1 A 92 92 ALA HA H 92 4.316 4.312 0.004 1
1 1091 . 16 1 1 A 92 92 ALA CB C 92 20.275 18.715 1.560 1
1 1095 . 16 1 1 A 92 92 ALA C C 92 178.672 179.423 -0.751 1
1 1096 . 16 1 1 A 93 93 SER N N 93 111.760 113.284 -1.524 1
1 1097 . 16 1 1 A 93 93 SER H H 93 7.431 8.064 -0.633 1
1 1098 . 16 1 1 A 93 93 SER CA C 93 58.584 62.232 -3.648 1
1 1099 . 16 1 1 A 93 93 SER HA H 93 4.471 4.151 0.320 1
1 1100 . 16 1 1 A 93 93 SER CB C 93 64.582 62.849 1.733 1
1 1103 . 16 1 1 A 93 93 SER C C 93 173.576 175.878 -2.302 1
1 1104 . 16 1 1 A 94 94 ALA N N 94 123.381 121.263 2.118 1
1 1105 . 16 1 1 A 94 94 ALA H H 94 7.903 8.001 -0.098 1
1 1106 . 16 1 1 A 94 94 ALA CA C 94 52.760 53.412 -0.652 1
1 1107 . 16 1 1 A 94 94 ALA HA H 94 4.267 4.101 0.166 1
1 1108 . 16 1 1 A 94 94 ALA CB C 94 18.364 19.488 -1.124 1
1 1112 . 16 1 1 A 94 94 ALA C C 94 177.611 177.647 -0.036 1
1 1113 . 16 1 1 A 95 95 GLN N N 95 120.874 124.068 -3.194 1
1 1114 . 16 1 1 A 95 95 GLN H H 95 8.305 8.661 -0.356 1
1 1115 . 16 1 1 A 95 95 GLN CA C 95 56.821 58.446 -1.625 1
1 1116 . 16 1 1 A 95 95 GLN HA H 95 4.185 4.173 0.012 1
1 1117 . 16 1 1 A 95 95 GLN CB C 95 29.052 29.317 -0.265 1
1 1126 . 16 1 1 A 95 95 GLN C C 95 175.975 175.702 0.273 1
1 1127 . 16 1 1 A 96 96 GLU N N 96 120.251 118.631 1.620 1
1 1128 . 16 1 1 A 96 96 GLU H H 96 8.402 7.977 0.425 1
1 1129 . 16 1 1 A 96 96 GLU CA C 96 54.378 53.011 1.367 1
1 1130 . 16 1 1 A 96 96 GLU HA H 96 4.537 4.699 -0.162 1
1 1131 . 16 1 1 A 96 96 GLU CB C 96 30.216 30.868 -0.652 1
1 1137 . 16 1 1 A 96 96 GLU C C 96 173.618 174.259 -0.641 1
1 1138 . 16 1 1 A 97 97 PRO CA C 97 62.763 62.352 0.411 1
1 1139 . 16 1 1 A 97 97 PRO HA H 97 4.362 4.611 -0.249 1
1 1140 . 16 1 1 A 97 97 PRO CB C 97 32.356 32.751 -0.395 1
1 1149 . 16 1 1 A 97 97 PRO C C 97 174.841 175.772 -0.931 1
1 1150 . 16 1 1 A 98 98 ASP N N 98 120.272 120.854 -0.582 1
1 1151 . 16 1 1 A 98 98 ASP H H 98 8.396 8.611 -0.215 1
1 1152 . 16 1 1 A 98 98 ASP CA C 98 54.555 54.486 0.069 1
1 1153 . 16 1 1 A 98 98 ASP HA H 98 4.409 4.627 -0.218 1
1 1154 . 16 1 1 A 98 98 ASP CB C 98 42.248 40.989 1.259 1
1 1157 . 16 1 1 A 98 98 ASP C C 98 176.253 177.851 -1.598 1
1 1158 . 16 1 1 A 99 99 LYS N N 99 126.808 124.095 2.713 1
1 1159 . 16 1 1 A 99 99 LYS H H 99 8.454 8.644 -0.190 1
1 1160 . 16 1 1 A 99 99 LYS CA C 99 60.158 58.708 1.450 1
1 1161 . 16 1 1 A 99 99 LYS HA H 99 3.705 4.018 -0.313 1
1 1162 . 16 1 1 A 99 99 LYS CB C 99 32.832 31.963 0.869 1
1 1174 . 16 1 1 A 99 99 LYS C C 99 177.621 178.400 -0.779 1
1 1175 . 16 1 1 A 100 100 LEU N N 100 118.450 121.541 -3.091 1
1 1176 . 16 1 1 A 100 100 LEU H H 100 8.160 7.971 0.189 1
1 1177 . 16 1 1 A 100 100 LEU CA C 100 58.094 57.741 0.353 1
1 1178 . 16 1 1 A 100 100 LEU HA H 100 4.020 3.970 0.050 1
1 1179 . 16 1 1 A 100 100 LEU CB C 100 40.800 41.707 -0.907 1
1 1192 . 16 1 1 A 100 100 LEU C C 100 179.776 178.761 1.015 1
1 1193 . 16 1 1 A 101 101 SER N N 101 115.644 113.101 2.543 1
1 1194 . 16 1 1 A 101 101 SER H H 101 8.047 8.036 0.011 1
1 1195 . 16 1 1 A 101 101 SER CA C 101 61.765 61.197 0.568 1
1 1196 . 16 1 1 A 101 101 SER HA H 101 4.174 4.153 0.021 1
1 1197 . 16 1 1 A 101 101 SER CB C 101 62.609 63.084 -0.475 1
1 1200 . 16 1 1 A 101 101 SER C C 101 176.476 176.776 -0.300 1
1 1201 . 16 1 1 A 102 102 MET N N 102 120.653 119.511 1.142 1
1 1202 . 16 1 1 A 102 102 MET H H 102 8.027 7.828 0.199 1
1 1203 . 16 1 1 A 102 102 MET CA C 102 56.380 58.417 -2.037 1
1 1204 . 16 1 1 A 102 102 MET HA H 102 4.508 4.197 0.311 1
1 1205 . 16 1 1 A 102 102 MET CB C 102 30.731 33.279 -2.548 1
1 1215 . 16 1 1 A 102 102 MET C C 102 178.903 178.347 0.556 1
1 1216 . 16 1 1 A 103 103 VAL N N 103 119.836 119.577 0.259 1
1 1217 . 16 1 1 A 103 103 VAL H H 103 8.556 8.253 0.303 1
1 1218 . 16 1 1 A 103 103 VAL CA C 103 67.049 66.400 0.649 1
1 1219 . 16 1 1 A 103 103 VAL HA H 103 3.370 3.480 -0.110 1
1 1220 . 16 1 1 A 103 103 VAL CB C 103 31.583 31.160 0.423 1
1 1230 . 16 1 1 A 103 103 VAL C C 103 179.225 178.190 1.035 1
1 1231 . 16 1 1 A 104 104 MET N N 104 120.390 118.990 1.400 1
1 1232 . 16 1 1 A 104 104 MET H H 104 8.112 8.551 -0.439 1
1 1233 . 16 1 1 A 104 104 MET CA C 104 58.991 58.422 0.569 1
1 1234 . 16 1 1 A 104 104 MET HA H 104 4.047 4.091 -0.044 1
1 1235 . 16 1 1 A 104 104 MET CB C 104 31.979 32.396 -0.417 1
1 1245 . 16 1 1 A 104 104 MET C C 104 178.210 177.844 0.366 1
1 1246 . 16 1 1 A 105 105 TYR N N 105 120.956 122.460 -1.504 1
1 1247 . 16 1 1 A 105 105 TYR H H 105 8.185 7.738 0.447 1
1 1248 . 16 1 1 A 105 105 TYR CA C 105 61.449 61.387 0.062 1
1 1249 . 16 1 1 A 105 105 TYR HA H 105 4.317 4.136 0.181 1
1 1250 . 16 1 1 A 105 105 TYR CB C 105 40.259 38.459 1.800 1
1 1261 . 16 1 1 A 105 105 TYR C C 105 177.805 177.518 0.287 1
1 1262 . 16 1 1 A 106 106 LEU N N 106 116.468 120.938 -4.470 1
1 1263 . 16 1 1 A 106 106 LEU H H 106 9.088 8.767 0.321 1
1 1264 . 16 1 1 A 106 106 LEU CA C 106 57.744 57.825 -0.081 1
1 1265 . 16 1 1 A 106 106 LEU HA H 106 4.139 3.792 0.347 1
1 1266 . 16 1 1 A 106 106 LEU CB C 106 42.285 41.245 1.040 1
1 1279 . 16 1 1 A 106 106 LEU C C 106 180.758 178.812 1.946 1
1 1280 . 16 1 1 A 107 107 SER N N 107 114.570 114.266 0.304 1
1 1281 . 16 1 1 A 107 107 SER H H 107 8.338 7.754 0.584 1
1 1282 . 16 1 1 A 107 107 SER CA C 107 63.030 62.428 0.602 1
1 1283 . 16 1 1 A 107 107 SER HA H 107 4.016 4.098 -0.082 1
1 1284 . 16 1 1 A 107 107 SER CB C 107 62.866 62.970 -0.104 1
1 1287 . 16 1 1 A 107 107 SER C C 107 175.377 176.374 -0.997 1
1 1288 . 16 1 1 A 108 108 LYS N N 108 120.221 121.475 -1.254 1
1 1289 . 16 1 1 A 108 108 LYS H H 108 7.522 7.893 -0.371 1
1 1290 . 16 1 1 A 108 108 LYS CA C 108 58.870 59.031 -0.161 1
1 1291 . 16 1 1 A 108 108 LYS HA H 108 3.910 3.770 0.140 1
1 1292 . 16 1 1 A 108 108 LYS CB C 108 31.719 31.715 0.004 1
1 1304 . 16 1 1 A 108 108 LYS C C 108 179.587 179.050 0.537 1
1 1305 . 16 1 1 A 109 109 PHE N N 109 118.900 119.134 -0.234 1
1 1306 . 16 1 1 A 109 109 PHE H H 109 7.282 7.439 -0.157 1
1 1307 . 16 1 1 A 109 109 PHE CA C 109 61.501 60.702 0.799 1
1 1308 . 16 1 1 A 109 109 PHE HA H 109 3.550 4.137 -0.587 1
1 1309 . 16 1 1 A 109 109 PHE CB C 109 38.201 38.553 -0.352 1
1 1322 . 16 1 1 A 109 109 PHE C C 109 176.181 177.769 -1.588 1
1 1323 . 16 1 1 A 110 110 TYR N N 110 120.089 119.555 0.534 1
1 1324 . 16 1 1 A 110 110 TYR H H 110 7.417 8.094 -0.677 1
1 1325 . 16 1 1 A 110 110 TYR CA C 110 60.263 61.500 -1.237 1
1 1326 . 16 1 1 A 110 110 TYR HA H 110 2.584 3.053 -0.469 1
1 1327 . 16 1 1 A 110 110 TYR CB C 110 38.138 38.319 -0.181 1
1 1338 . 16 1 1 A 110 110 TYR C C 110 176.298 177.049 -0.751 1
1 1339 . 16 1 1 A 111 111 GLU N N 111 115.750 117.714 -1.964 1
1 1340 . 16 1 1 A 111 111 GLU H H 111 7.899 8.007 -0.108 1
1 1341 . 16 1 1 A 111 111 GLU CA C 111 58.712 58.645 0.067 1
1 1342 . 16 1 1 A 111 111 GLU HA H 111 3.528 3.710 -0.182 1
1 1343 . 16 1 1 A 111 111 GLU CB C 111 29.429 29.343 0.086 1
1 1349 . 16 1 1 A 111 111 GLU C C 111 178.367 178.515 -0.148 1
1 1350 . 16 1 1 A 112 112 LEU N N 112 118.646 121.934 -3.288 1
1 1351 . 16 1 1 A 112 112 LEU H H 112 6.922 7.622 -0.700 1
1 1352 . 16 1 1 A 112 112 LEU CA C 112 57.107 58.094 -0.987 1
1 1353 . 16 1 1 A 112 112 LEU HA H 112 3.775 3.847 -0.072 1
1 1354 . 16 1 1 A 112 112 LEU CB C 112 42.499 41.639 0.860 1
1 1367 . 16 1 1 A 112 112 LEU C C 112 178.820 178.406 0.414 1
1 1368 . 16 1 1 A 113 113 PHE N N 113 114.884 115.317 -0.433 1
1 1369 . 16 1 1 A 113 113 PHE H H 113 7.723 8.261 -0.538 1
1 1370 . 16 1 1 A 113 113 PHE CA C 113 57.108 59.815 -2.707 1
1 1371 . 16 1 1 A 113 113 PHE HA H 113 4.495 4.203 0.292 1
1 1372 . 16 1 1 A 113 113 PHE CB C 113 38.324 39.722 -1.398 1
1 1385 . 16 1 1 A 113 113 PHE C C 113 177.445 176.545 0.900 1
1 1386 . 16 1 1 A 114 114 ARG N N 114 119.913 117.664 2.249 1
1 1387 . 16 1 1 A 114 114 ARG H H 114 7.840 8.132 -0.292 1
1 1388 . 16 1 1 A 114 114 ARG CA C 114 57.747 55.941 1.806 1
1 1389 . 16 1 1 A 114 114 ARG HA H 114 4.164 4.352 -0.188 1
1 1390 . 16 1 1 A 114 114 ARG CB C 114 28.994 30.416 -1.422 1
1 1399 . 16 1 1 A 114 114 ARG C C 114 177.051 175.558 1.493 1
1 1400 . 16 1 1 A 115 115 GLY N N 115 108.376 112.750 -4.374 1
1 1401 . 16 1 1 A 115 115 GLY H H 115 8.070 8.351 -0.281 1
1 1402 . 16 1 1 A 115 115 GLY CA C 115 45.201 45.867 -0.666 1
1 1403 . 16 1 1 A 115 115 GLY HA2 H 115 3.873 4.043 -0.170 1
1 1404 . 16 1 1 A 115 115 GLY HA3 H 115 3.988 4.075 -0.087 1
1 1405 . 16 1 1 A 115 115 GLY C C 115 173.987 173.957 0.030 1
1 1406 . 16 1 1 A 116 116 THR N N 116 116.618 117.240 -0.622 1
1 1407 . 16 1 1 A 116 116 THR H H 116 7.858 7.753 0.105 1
1 1408 . 16 1 1 A 116 116 THR CA C 116 60.032 60.255 -0.223 1
1 1409 . 16 1 1 A 116 116 THR HA H 116 4.620 4.406 0.214 1
1 1410 . 16 1 1 A 116 116 THR CB C 116 70.082 69.555 0.527 1
1 1416 . 16 1 1 A 116 116 THR C C 116 172.615 173.273 -0.658 1
1 1417 . 16 1 1 A 117 117 PRO CA C 117 63.086 62.479 0.607 1
1 1418 . 16 1 1 A 117 117 PRO HA H 117 4.451 4.610 -0.159 1
1 1419 . 16 1 1 A 117 117 PRO CB C 117 32.220 31.930 0.290 1
1 1428 . 16 1 1 A 117 117 PRO C C 117 176.812 176.579 0.233 1
1 1429 . 16 1 1 A 118 118 LEU N N 118 122.695 118.638 4.057 1
1 1430 . 16 1 1 A 118 118 LEU H H 118 8.424 8.340 0.084 1
1 1431 . 16 1 1 A 118 118 LEU CA C 118 55.266 53.466 1.800 1
1 1432 . 16 1 1 A 118 118 LEU HA H 118 4.276 4.571 -0.295 1
1 1433 . 16 1 1 A 118 118 LEU CB C 118 42.339 43.241 -0.902 1
1 1446 . 16 1 1 A 118 118 LEU C C 118 177.027 176.522 0.505 1
1 1447 . 16 1 1 A 119 119 ARG N N 119 122.979 120.266 2.713 1
1 1448 . 16 1 1 A 119 119 ARG H H 119 8.250 8.546 -0.296 1
1 1449 . 16 1 1 A 119 119 ARG CA C 119 53.688 53.930 -0.242 1
1 1450 . 16 1 1 A 119 119 ARG HA H 119 4.644 4.808 -0.164 1
1 1451 . 16 1 1 A 119 119 ARG CB C 119 30.469 31.186 -0.717 1
1 1460 . 16 1 1 A 119 119 ARG C C 119 174.019 174.372 -0.353 1
1 1461 . 16 1 1 A 120 120 PRO CA C 120 63.366 62.750 0.616 1
1 1462 . 16 1 1 A 120 120 PRO HA H 120 4.440 4.616 -0.176 1
1 1463 . 16 1 1 A 120 120 PRO CB C 120 31.958 31.777 0.181 1
1 1472 . 16 1 1 A 120 120 PRO C C 120 176.104 177.963 -1.859 1
1 1 . 17 1 1 A 6 6 SER CA C 6 58.867 59.511 -0.644 1
1 2 . 17 1 1 A 6 6 SER HA H 6 4.432 4.296 0.136 1
1 3 . 17 1 1 A 6 6 SER CB C 6 63.603 63.364 0.239 1
1 6 . 17 1 1 A 6 6 SER C C 6 175.018 174.411 0.607 1
1 7 . 17 1 1 A 7 7 GLY N N 7 110.530 108.904 1.626 1
1 8 . 17 1 1 A 7 7 GLY H H 7 8.382 8.379 0.003 1
1 9 . 17 1 1 A 7 7 GLY CA C 7 45.311 46.033 -0.722 1
1 10 . 17 1 1 A 7 7 GLY HA2 H 7 3.922 4.157 -0.235 1
1 11 . 17 1 1 A 7 7 GLY HA3 H 7 3.922 4.159 -0.237 1
1 12 . 17 1 1 A 7 7 GLY C C 7 173.740 171.316 2.424 1
1 13 . 17 1 1 A 8 8 ASP N N 8 120.471 119.597 0.874 1
1 14 . 17 1 1 A 8 8 ASP H H 8 8.121 8.572 -0.451 1
1 15 . 17 1 1 A 8 8 ASP CA C 8 54.214 52.961 1.253 1
1 16 . 17 1 1 A 8 8 ASP HA H 8 4.560 5.331 -0.771 1
1 17 . 17 1 1 A 8 8 ASP CB C 8 41.172 43.818 -2.646 1
1 20 . 17 1 1 A 8 8 ASP C C 8 176.082 174.662 1.420 1
1 21 . 17 1 1 A 9 9 ILE N N 9 121.785 120.363 1.422 1
1 22 . 17 1 1 A 9 9 ILE H H 9 8.115 8.679 -0.564 1
1 23 . 17 1 1 A 9 9 ILE CA C 9 60.327 59.547 0.780 1
1 24 . 17 1 1 A 9 9 ILE HA H 9 4.083 4.762 -0.679 1
1 25 . 17 1 1 A 9 9 ILE CB C 9 38.394 40.096 -1.702 1
1 38 . 17 1 1 A 9 9 ILE C C 9 175.579 176.465 -0.886 1
1 39 . 17 1 1 A 10 10 ARG N N 10 125.977 124.632 1.345 1
1 40 . 17 1 1 A 10 10 ARG H H 10 8.319 8.715 -0.396 1
1 41 . 17 1 1 A 10 10 ARG CA C 10 54.661 60.812 -6.151 1
1 42 . 17 1 1 A 10 10 ARG HA H 10 4.493 3.985 0.508 1
1 43 . 17 1 1 A 10 10 ARG CB C 10 29.730 29.934 -0.204 1
1 52 . 17 1 1 A 10 10 ARG C C 10 175.511 177.038 -1.527 1
1 53 . 17 1 1 A 11 11 PRO CA C 11 65.595 64.545 1.050 1
1 54 . 17 1 1 A 11 11 PRO HA H 11 4.064 4.361 -0.297 1
1 55 . 17 1 1 A 11 11 PRO CB C 11 31.690 31.439 0.251 1
1 64 . 17 1 1 A 12 12 SER CA C 12 60.656 60.582 0.074 1
1 65 . 17 1 1 A 12 12 SER HA H 12 4.194 4.431 -0.237 1
1 66 . 17 1 1 A 12 12 SER CB C 12 62.321 63.468 -1.147 1
1 69 . 17 1 1 A 13 13 LYS H H 13 7.510 7.844 -0.334 1
1 70 . 17 1 1 A 13 13 LYS CA C 13 58.585 58.774 -0.189 1
1 71 . 17 1 1 A 13 13 LYS HA H 13 4.186 4.189 -0.003 1
1 72 . 17 1 1 A 13 13 LYS CB C 13 32.274 32.214 0.060 1
1 84 . 17 1 1 A 13 13 LYS C C 13 179.028 178.682 0.346 1
1 85 . 17 1 1 A 14 14 LEU N N 14 121.315 121.001 0.314 1
1 86 . 17 1 1 A 14 14 LEU H H 14 7.968 7.793 0.175 1
1 87 . 17 1 1 A 14 14 LEU CA C 14 57.648 57.718 -0.070 1
1 88 . 17 1 1 A 14 14 LEU HA H 14 3.889 3.611 0.278 1
1 89 . 17 1 1 A 14 14 LEU CB C 14 42.171 41.177 0.994 1
1 102 . 17 1 1 A 14 14 LEU C C 14 178.689 178.099 0.590 1
1 103 . 17 1 1 A 15 15 LEU N N 15 120.526 120.164 0.362 1
1 104 . 17 1 1 A 15 15 LEU H H 15 8.546 8.026 0.520 1
1 105 . 17 1 1 A 15 15 LEU CA C 15 59.227 58.496 0.731 1
1 106 . 17 1 1 A 15 15 LEU HA H 15 4.038 4.067 -0.029 1
1 107 . 17 1 1 A 15 15 LEU CB C 15 40.993 41.809 -0.816 1
1 120 . 17 1 1 A 15 15 LEU C C 15 178.020 178.668 -0.648 1
1 121 . 17 1 1 A 16 16 THR N N 16 114.667 113.575 1.092 1
1 122 . 17 1 1 A 16 16 THR H H 16 7.945 7.960 -0.015 1
1 123 . 17 1 1 A 16 16 THR CA C 16 66.778 66.664 0.114 1
1 124 . 17 1 1 A 16 16 THR HA H 16 4.162 3.898 0.264 1
1 125 . 17 1 1 A 16 16 THR CB C 16 68.914 68.471 0.443 1
1 131 . 17 1 1 A 16 16 THR C C 16 176.419 176.659 -0.240 1
1 132 . 17 1 1 A 17 17 TRP N N 17 122.548 121.039 1.509 1
1 133 . 17 1 1 A 17 17 TRP H H 17 8.242 7.896 0.346 1
1 134 . 17 1 1 A 17 17 TRP CA C 17 63.006 61.652 1.354 1
1 135 . 17 1 1 A 17 17 TRP HA H 17 4.442 4.258 0.184 1
1 136 . 17 1 1 A 17 17 TRP CB C 17 28.530 29.791 -1.261 1
1 151 . 17 1 1 A 17 17 TRP C C 17 178.678 177.853 0.825 1
1 152 . 17 1 1 A 18 18 CYS N N 18 117.202 117.230 -0.028 1
1 153 . 17 1 1 A 18 18 CYS H H 18 8.993 8.172 0.821 1
1 154 . 17 1 1 A 18 18 CYS CA C 18 64.830 63.377 1.453 1
1 155 . 17 1 1 A 18 18 CYS HA H 18 3.855 4.075 -0.220 1
1 156 . 17 1 1 A 18 18 CYS CB C 18 27.945 27.503 0.442 1
1 159 . 17 1 1 A 18 18 CYS C C 18 178.411 177.207 1.204 1
1 160 . 17 1 1 A 19 19 GLN N N 19 120.296 120.160 0.136 1
1 161 . 17 1 1 A 19 19 GLN H H 19 8.696 8.390 0.306 1
1 162 . 17 1 1 A 19 19 GLN CA C 19 59.705 59.182 0.523 1
1 163 . 17 1 1 A 19 19 GLN HA H 19 3.654 3.957 -0.303 1
1 164 . 17 1 1 A 19 19 GLN CB C 19 27.820 28.023 -0.203 1
1 173 . 17 1 1 A 19 19 GLN C C 19 177.957 178.622 -0.665 1
1 174 . 17 1 1 A 20 20 GLN N N 20 119.247 118.988 0.259 1
1 175 . 17 1 1 A 20 20 GLN H H 20 8.306 8.035 0.271 1
1 176 . 17 1 1 A 20 20 GLN CA C 20 58.838 58.892 -0.054 1
1 177 . 17 1 1 A 20 20 GLN HA H 20 4.016 4.006 0.010 1
1 178 . 17 1 1 A 20 20 GLN CB C 20 28.000 28.349 -0.349 1
1 187 . 17 1 1 A 20 20 GLN C C 20 179.476 178.894 0.582 1
1 188 . 17 1 1 A 21 21 GLN N N 21 113.337 118.704 -5.367 1
1 189 . 17 1 1 A 21 21 GLN H H 21 7.999 7.898 0.101 1
1 190 . 17 1 1 A 21 21 GLN CA C 21 55.909 58.987 -3.078 1
1 191 . 17 1 1 A 21 21 GLN HA H 21 4.043 3.810 0.233 1
1 192 . 17 1 1 A 21 21 GLN CB C 21 27.676 27.834 -0.158 1
1 201 . 17 1 1 A 21 21 GLN C C 21 177.394 177.708 -0.314 1
1 202 . 17 1 1 A 22 22 THR N N 22 103.485 109.627 -6.142 1
1 203 . 17 1 1 A 22 22 THR H H 22 7.119 7.681 -0.562 1
1 204 . 17 1 1 A 22 22 THR CA C 22 61.272 62.262 -0.990 1
1 205 . 17 1 1 A 22 22 THR HA H 22 4.092 4.364 -0.272 1
1 206 . 17 1 1 A 22 22 THR CB C 22 69.448 69.181 0.267 1
1 212 . 17 1 1 A 22 22 THR C C 22 174.644 174.303 0.341 1
1 213 . 17 1 1 A 23 23 GLU N N 23 125.366 123.545 1.821 1
1 214 . 17 1 1 A 23 23 GLU H H 23 6.949 7.874 -0.925 1
1 215 . 17 1 1 A 23 23 GLU CA C 23 58.389 57.714 0.675 1
1 216 . 17 1 1 A 23 23 GLU HA H 23 3.999 4.125 -0.126 1
1 217 . 17 1 1 A 23 23 GLU CB C 23 29.683 29.947 -0.264 1
1 223 . 17 1 1 A 23 23 GLU C C 23 177.061 177.292 -0.231 1
1 224 . 17 1 1 A 24 24 GLY N N 24 112.717 114.894 -2.177 1
1 225 . 17 1 1 A 24 24 GLY H H 24 8.732 8.893 -0.161 1
1 226 . 17 1 1 A 24 24 GLY CA C 24 45.326 45.045 0.281 1
1 227 . 17 1 1 A 24 24 GLY HA2 H 24 3.988 3.885 0.103 1
1 228 . 17 1 1 A 24 24 GLY HA3 H 24 3.538 3.928 -0.390 1
1 229 . 17 1 1 A 24 24 GLY C C 24 174.531 174.145 0.386 1
1 230 . 17 1 1 A 25 25 TYR N N 25 120.189 119.733 0.456 1
1 231 . 17 1 1 A 25 25 TYR H H 25 7.488 7.697 -0.209 1
1 232 . 17 1 1 A 25 25 TYR CA C 25 59.028 58.307 0.721 1
1 233 . 17 1 1 A 25 25 TYR HA H 25 3.947 4.292 -0.345 1
1 234 . 17 1 1 A 25 25 TYR CB C 25 37.202 38.812 -1.610 1
1 245 . 17 1 1 A 25 25 TYR C C 25 176.354 175.583 0.771 1
1 246 . 17 1 1 A 26 26 GLN N N 26 125.301 122.366 2.935 1
1 247 . 17 1 1 A 26 26 GLN H H 26 8.877 8.514 0.363 1
1 248 . 17 1 1 A 26 26 GLN CA C 26 56.923 55.039 1.884 1
1 249 . 17 1 1 A 26 26 GLN HA H 26 3.866 4.491 -0.625 1
1 250 . 17 1 1 A 26 26 GLN CB C 26 28.808 30.394 -1.586 1
1 259 . 17 1 1 A 26 26 GLN C C 26 175.582 176.024 -0.442 1
1 260 . 17 1 1 A 27 27 HIS N N 27 111.738 115.793 -4.055 1
1 261 . 17 1 1 A 27 27 HIS H H 27 8.581 8.430 0.151 1
1 262 . 17 1 1 A 27 27 HIS CA C 27 56.937 57.113 -0.176 1
1 263 . 17 1 1 A 27 27 HIS HA H 27 4.174 4.027 0.147 1
1 264 . 17 1 1 A 27 27 HIS CB C 27 26.839 27.002 -0.163 1
1 271 . 17 1 1 A 27 27 HIS C C 27 172.979 174.168 -1.189 1
1 272 . 17 1 1 A 28 28 VAL N N 28 118.229 119.090 -0.861 1
1 273 . 17 1 1 A 28 28 VAL H H 28 7.377 7.617 -0.240 1
1 274 . 17 1 1 A 28 28 VAL CA C 28 61.927 61.501 0.426 1
1 275 . 17 1 1 A 28 28 VAL HA H 28 3.922 4.249 -0.327 1
1 276 . 17 1 1 A 28 28 VAL CB C 28 33.373 33.110 0.263 1
1 286 . 17 1 1 A 28 28 VAL C C 28 174.687 173.449 1.238 1
1 287 . 17 1 1 A 29 29 ASN N N 29 125.832 127.622 -1.790 1
1 288 . 17 1 1 A 29 29 ASN H H 29 8.604 9.032 -0.428 1
1 289 . 17 1 1 A 29 29 ASN CA C 29 52.651 51.792 0.859 1
1 290 . 17 1 1 A 29 29 ASN HA H 29 4.682 5.310 -0.628 1
1 291 . 17 1 1 A 29 29 ASN CB C 29 39.124 39.862 -0.738 1
1 297 . 17 1 1 A 29 29 ASN C C 29 173.380 173.782 -0.402 1
1 298 . 17 1 1 A 30 30 VAL N N 30 125.146 127.044 -1.898 1
1 299 . 17 1 1 A 30 30 VAL H H 30 9.203 8.914 0.289 1
1 300 . 17 1 1 A 30 30 VAL CA C 30 63.838 62.452 1.386 1
1 301 . 17 1 1 A 30 30 VAL HA H 30 3.699 4.131 -0.432 1
1 302 . 17 1 1 A 30 30 VAL CB C 30 31.136 31.246 -0.110 1
1 312 . 17 1 1 A 30 30 VAL C C 30 176.046 176.302 -0.256 1
1 313 . 17 1 1 A 31 31 THR N N 31 118.952 117.822 1.130 1
1 314 . 17 1 1 A 31 31 THR H H 31 8.396 8.714 -0.318 1
1 315 . 17 1 1 A 31 31 THR CA C 31 60.985 61.755 -0.770 1
1 316 . 17 1 1 A 31 31 THR HA H 31 4.316 4.643 -0.327 1
1 317 . 17 1 1 A 31 31 THR CB C 31 70.087 70.312 -0.225 1
1 323 . 17 1 1 A 31 31 THR C C 31 173.296 174.067 -0.771 1
1 324 . 17 1 1 A 32 32 ASP N N 32 120.757 120.815 -0.058 1
1 325 . 17 1 1 A 32 32 ASP H H 32 8.078 7.998 0.080 1
1 326 . 17 1 1 A 32 32 ASP CA C 32 53.069 52.900 0.169 1
1 327 . 17 1 1 A 32 32 ASP HA H 32 4.536 5.064 -0.528 1
1 328 . 17 1 1 A 32 32 ASP CB C 32 41.527 44.383 -2.856 1
1 331 . 17 1 1 A 32 32 ASP C C 32 174.931 174.668 0.263 1
1 332 . 17 1 1 A 33 33 LEU N N 33 117.024 122.469 -5.445 1
1 333 . 17 1 1 A 33 33 LEU H H 33 8.733 8.452 0.281 1
1 334 . 17 1 1 A 33 33 LEU CA C 33 54.453 54.307 0.146 1
1 335 . 17 1 1 A 33 33 LEU HA H 33 4.834 4.947 -0.113 1
1 336 . 17 1 1 A 33 33 LEU CB C 33 41.867 42.100 -0.233 1
1 349 . 17 1 1 A 33 33 LEU C C 33 174.039 176.904 -2.865 1
1 350 . 17 1 1 A 34 34 THR N N 34 103.873 112.136 -8.263 1
1 351 . 17 1 1 A 34 34 THR H H 34 7.900 7.822 0.078 1
1 352 . 17 1 1 A 34 34 THR CA C 34 60.434 62.510 -2.076 1
1 353 . 17 1 1 A 34 34 THR HA H 34 4.519 4.638 -0.119 1
1 354 . 17 1 1 A 34 34 THR CB C 34 70.237 69.795 0.442 1
1 360 . 17 1 1 A 34 34 THR C C 34 175.954 175.703 0.251 1
1 361 . 17 1 1 A 35 35 THR N N 35 118.103 117.568 0.535 1
1 362 . 17 1 1 A 35 35 THR H H 35 9.363 8.244 1.119 1
1 363 . 17 1 1 A 35 35 THR CA C 35 66.422 65.048 1.374 1
1 364 . 17 1 1 A 35 35 THR HA H 35 3.981 4.096 -0.115 1
1 365 . 17 1 1 A 35 35 THR CB C 35 68.720 68.787 -0.067 1
1 371 . 17 1 1 A 35 35 THR C C 35 177.778 177.003 0.775 1
1 372 . 17 1 1 A 36 36 SER N N 36 120.417 117.199 3.218 1
1 373 . 17 1 1 A 36 36 SER H H 36 10.544 8.321 2.223 1
1 374 . 17 1 1 A 36 36 SER CA C 36 61.076 61.492 -0.416 1
1 375 . 17 1 1 A 36 36 SER HA H 36 4.395 4.297 0.098 1
1 376 . 17 1 1 A 36 36 SER CB C 36 63.485 63.087 0.398 1
1 379 . 17 1 1 A 36 36 SER C C 36 173.956 175.254 -1.298 1
1 380 . 17 1 1 A 37 37 TRP N N 37 121.387 119.916 1.471 1
1 381 . 17 1 1 A 37 37 TRP H H 37 8.126 8.107 0.019 1
1 382 . 17 1 1 A 37 37 TRP CA C 37 57.689 56.321 1.368 1
1 383 . 17 1 1 A 37 37 TRP HA H 37 4.340 5.117 -0.777 1
1 384 . 17 1 1 A 37 37 TRP CB C 37 28.915 29.460 -0.545 1
1 399 . 17 1 1 A 37 37 TRP C C 37 176.751 176.716 0.035 1
1 400 . 17 1 1 A 38 38 ARG N N 38 121.787 119.656 2.131 1
1 401 . 17 1 1 A 38 38 ARG H H 38 7.473 8.207 -0.734 1
1 402 . 17 1 1 A 38 38 ARG CA C 38 60.250 58.706 1.544 1
1 403 . 17 1 1 A 38 38 ARG HA H 38 4.065 4.313 -0.248 1
1 404 . 17 1 1 A 38 38 ARG CB C 38 30.807 30.349 0.458 1
1 415 . 17 1 1 A 38 38 ARG C C 38 177.636 178.686 -1.050 1
1 416 . 17 1 1 A 39 39 SER N N 39 110.340 114.215 -3.875 1
1 417 . 17 1 1 A 39 39 SER H H 39 8.665 7.733 0.932 1
1 418 . 17 1 1 A 39 39 SER CA C 39 59.336 59.025 0.311 1
1 419 . 17 1 1 A 39 39 SER HA H 39 4.349 4.441 -0.092 1
1 420 . 17 1 1 A 39 39 SER CB C 39 64.907 63.798 1.109 1
1 423 . 17 1 1 A 39 39 SER C C 39 174.768 174.677 0.091 1
1 424 . 17 1 1 A 40 40 GLY N N 40 109.467 108.689 0.778 1
1 425 . 17 1 1 A 40 40 GLY H H 40 7.549 7.911 -0.362 1
1 426 . 17 1 1 A 40 40 GLY CA C 40 46.347 45.217 1.130 1
1 427 . 17 1 1 A 40 40 GLY HA2 H 40 3.875 3.900 -0.025 1
1 428 . 17 1 1 A 40 40 GLY HA3 H 40 3.915 3.982 -0.067 1
1 429 . 17 1 1 A 40 40 GLY C C 40 173.725 175.855 -2.130 1
1 430 . 17 1 1 A 41 41 LEU N N 41 117.562 121.873 -4.311 1
1 431 . 17 1 1 A 41 41 LEU H H 41 7.287 8.026 -0.739 1
1 432 . 17 1 1 A 41 41 LEU CA C 41 57.482 56.599 0.883 1
1 433 . 17 1 1 A 41 41 LEU HA H 41 3.882 4.017 -0.135 1
1 434 . 17 1 1 A 41 41 LEU CB C 41 42.615 41.790 0.825 1
1 447 . 17 1 1 A 41 41 LEU C C 41 178.159 179.453 -1.294 1
1 448 . 17 1 1 A 42 42 ALA N N 42 121.758 122.246 -0.488 1
1 449 . 17 1 1 A 42 42 ALA H H 42 8.506 7.948 0.558 1
1 450 . 17 1 1 A 42 42 ALA CA C 42 55.694 55.057 0.637 1
1 451 . 17 1 1 A 42 42 ALA HA H 42 3.582 3.742 -0.160 1
1 452 . 17 1 1 A 42 42 ALA CB C 42 17.039 18.160 -1.121 1
1 456 . 17 1 1 A 42 42 ALA C C 42 178.076 178.851 -0.775 1
1 457 . 17 1 1 A 43 43 LEU N N 43 118.332 119.090 -0.758 1
1 458 . 17 1 1 A 43 43 LEU H H 43 8.933 7.983 0.950 1
1 459 . 17 1 1 A 43 43 LEU CA C 43 57.425 57.898 -0.473 1
1 460 . 17 1 1 A 43 43 LEU HA H 43 4.308 4.251 0.057 1
1 461 . 17 1 1 A 43 43 LEU CB C 43 42.068 41.788 0.280 1
1 474 . 17 1 1 A 43 43 LEU C C 43 179.198 178.686 0.512 1
1 475 . 17 1 1 A 44 44 CYS N N 44 115.098 117.025 -1.927 1
1 476 . 17 1 1 A 44 44 CYS H H 44 7.607 8.347 -0.740 1
1 477 . 17 1 1 A 44 44 CYS CA C 44 65.664 62.850 2.814 1
1 478 . 17 1 1 A 44 44 CYS HA H 44 4.035 4.161 -0.126 1
1 479 . 17 1 1 A 44 44 CYS CB C 44 27.516 27.134 0.382 1
1 482 . 17 1 1 A 44 44 CYS C C 44 176.222 177.094 -0.872 1
1 483 . 17 1 1 A 45 45 ALA N N 45 121.778 122.350 -0.572 1
1 484 . 17 1 1 A 45 45 ALA H H 45 8.435 7.789 0.646 1
1 485 . 17 1 1 A 45 45 ALA CA C 45 55.306 54.782 0.524 1
1 486 . 17 1 1 A 45 45 ALA HA H 45 3.184 3.867 -0.683 1
1 487 . 17 1 1 A 45 45 ALA CB C 45 17.395 17.707 -0.312 1
1 491 . 17 1 1 A 45 45 ALA C C 45 177.510 179.749 -2.239 1
1 492 . 17 1 1 A 46 46 ILE N N 46 116.463 118.384 -1.921 1
1 493 . 17 1 1 A 46 46 ILE H H 46 7.527 7.485 0.042 1
1 494 . 17 1 1 A 46 46 ILE CA C 46 65.137 64.886 0.251 1
1 495 . 17 1 1 A 46 46 ILE HA H 46 3.267 3.782 -0.515 1
1 496 . 17 1 1 A 46 46 ILE CB C 46 37.084 37.812 -0.728 1
1 509 . 17 1 1 A 46 46 ILE C C 46 176.744 178.849 -2.105 1
1 510 . 17 1 1 A 47 47 ILE N N 47 115.676 121.586 -5.910 1
1 511 . 17 1 1 A 47 47 ILE H H 47 7.786 7.979 -0.193 1
1 512 . 17 1 1 A 47 47 ILE CA C 47 66.948 65.122 1.826 1
1 513 . 17 1 1 A 47 47 ILE HA H 47 3.754 4.369 -0.615 1
1 514 . 17 1 1 A 47 47 ILE CB C 47 38.335 38.146 0.189 1
1 527 . 17 1 1 A 47 47 ILE C C 47 176.853 178.278 -1.425 1
1 528 . 17 1 1 A 48 48 HIS N N 48 120.066 119.446 0.620 1
1 529 . 17 1 1 A 48 48 HIS H H 48 8.569 8.789 -0.220 1
1 530 . 17 1 1 A 48 48 HIS CA C 48 60.767 58.924 1.843 1
1 531 . 17 1 1 A 48 48 HIS HA H 48 3.918 4.169 -0.251 1
1 532 . 17 1 1 A 48 48 HIS CB C 48 31.245 30.301 0.944 1
1 539 . 17 1 1 A 48 48 HIS C C 48 175.841 177.115 -1.274 1
1 540 . 17 1 1 A 49 49 ARG N N 49 118.781 119.248 -0.467 1
1 541 . 17 1 1 A 49 49 ARG H H 49 8.572 8.507 0.065 1
1 542 . 17 1 1 A 49 49 ARG CA C 49 58.152 59.532 -1.380 1
1 543 . 17 1 1 A 49 49 ARG HA H 49 3.680 3.804 -0.124 1
1 544 . 17 1 1 A 49 49 ARG CB C 49 28.454 30.150 -1.696 1
1 555 . 17 1 1 A 49 49 ARG C C 49 177.830 178.572 -0.742 1
1 556 . 17 1 1 A 50 50 PHE N N 50 113.909 117.658 -3.749 1
1 557 . 17 1 1 A 50 50 PHE H H 50 6.900 8.040 -1.140 1
1 558 . 17 1 1 A 50 50 PHE CA C 50 59.885 59.947 -0.062 1
1 559 . 17 1 1 A 50 50 PHE HA H 50 4.281 4.456 -0.175 1
1 560 . 17 1 1 A 50 50 PHE CB C 50 41.527 38.869 2.658 1
1 573 . 17 1 1 A 50 50 PHE C C 50 176.867 175.764 1.103 1
1 574 . 17 1 1 A 51 51 ARG N N 51 120.652 117.892 2.760 1
1 575 . 17 1 1 A 51 51 ARG H H 51 9.059 7.430 1.629 1
1 576 . 17 1 1 A 51 51 ARG CA C 51 51.499 53.121 -1.622 1
1 577 . 17 1 1 A 51 51 ARG HA H 51 4.942 4.484 0.458 1
1 578 . 17 1 1 A 51 51 ARG CB C 51 30.307 29.408 0.899 1
1 589 . 17 1 1 A 51 51 ARG C C 51 172.670 174.455 -1.785 1
1 590 . 17 1 1 A 52 52 PRO CA C 52 64.948 64.619 0.329 1
1 591 . 17 1 1 A 52 52 PRO HA H 52 4.343 4.639 -0.296 1
1 592 . 17 1 1 A 52 52 PRO CB C 52 31.091 32.128 -1.037 1
1 601 . 17 1 1 A 52 52 PRO C C 52 177.406 177.621 -0.215 1
1 602 . 17 1 1 A 53 53 GLU N N 53 118.219 118.164 0.055 1
1 603 . 17 1 1 A 53 53 GLU H H 53 9.784 8.247 1.537 1
1 604 . 17 1 1 A 53 53 GLU CA C 53 57.285 59.375 -2.090 1
1 605 . 17 1 1 A 53 53 GLU HA H 53 4.322 4.136 0.186 1
1 606 . 17 1 1 A 53 53 GLU CB C 53 27.771 29.350 -1.579 1
1 612 . 17 1 1 A 53 53 GLU C C 53 177.957 178.026 -0.069 1
1 613 . 17 1 1 A 54 54 LEU N N 54 119.316 118.173 1.143 1
1 614 . 17 1 1 A 54 54 LEU H H 54 8.212 7.126 1.086 1
1 615 . 17 1 1 A 54 54 LEU CA C 54 55.943 56.248 -0.305 1
1 616 . 17 1 1 A 54 54 LEU HA H 54 4.337 4.259 0.078 1
1 617 . 17 1 1 A 54 54 LEU CB C 54 43.122 43.453 -0.331 1
1 630 . 17 1 1 A 54 54 LEU C C 54 177.159 176.634 0.525 1
1 631 . 17 1 1 A 55 55 ILE N N 55 115.493 116.843 -1.350 1
1 632 . 17 1 1 A 55 55 ILE H H 55 6.990 7.165 -0.175 1
1 633 . 17 1 1 A 55 55 ILE CA C 55 59.645 59.792 -0.147 1
1 634 . 17 1 1 A 55 55 ILE HA H 55 4.230 4.819 -0.589 1
1 635 . 17 1 1 A 55 55 ILE CB C 55 43.159 42.510 0.649 1
1 648 . 17 1 1 A 55 55 ILE C C 55 173.302 174.434 -1.132 1
1 649 . 17 1 1 A 56 56 ASN N N 56 124.568 122.763 1.805 1
1 650 . 17 1 1 A 56 56 ASN H H 56 8.984 8.587 0.397 1
1 651 . 17 1 1 A 56 56 ASN CA C 56 51.198 51.561 -0.363 1
1 652 . 17 1 1 A 56 56 ASN HA H 56 5.100 5.239 -0.139 1
1 653 . 17 1 1 A 56 56 ASN CB C 56 36.452 39.785 -3.333 1
1 659 . 17 1 1 A 56 56 ASN C C 56 175.902 175.197 0.705 1
1 660 . 17 1 1 A 57 57 PHE N N 57 126.548 123.634 2.914 1
1 661 . 17 1 1 A 57 57 PHE H H 57 7.219 8.024 -0.805 1
1 662 . 17 1 1 A 57 57 PHE CA C 57 62.399 62.204 0.195 1
1 663 . 17 1 1 A 57 57 PHE HA H 57 3.514 3.873 -0.359 1
1 664 . 17 1 1 A 57 57 PHE CB C 57 39.553 39.703 -0.150 1
1 677 . 17 1 1 A 57 57 PHE C C 57 176.597 176.413 0.184 1
1 678 . 17 1 1 A 58 58 ASP N N 58 116.755 118.547 -1.792 1
1 679 . 17 1 1 A 58 58 ASP H H 58 8.691 8.292 0.399 1
1 680 . 17 1 1 A 58 58 ASP CA C 58 56.635 57.463 -0.828 1
1 681 . 17 1 1 A 58 58 ASP HA H 58 4.324 4.346 -0.022 1
1 682 . 17 1 1 A 58 58 ASP CB C 58 40.262 40.117 0.145 1
1 685 . 17 1 1 A 58 58 ASP C C 58 176.562 178.633 -2.071 1
1 686 . 17 1 1 A 59 59 SER N N 59 112.320 112.813 -0.493 1
1 687 . 17 1 1 A 59 59 SER H H 59 7.412 7.580 -0.168 1
1 688 . 17 1 1 A 59 59 SER CA C 59 58.740 60.340 -1.600 1
1 689 . 17 1 1 A 59 59 SER HA H 59 4.365 4.402 -0.037 1
1 690 . 17 1 1 A 59 59 SER CB C 59 64.598 64.030 0.568 1
1 693 . 17 1 1 A 59 59 SER C C 59 174.309 174.678 -0.369 1
1 694 . 17 1 1 A 60 60 LEU N N 60 121.693 122.537 -0.844 1
1 695 . 17 1 1 A 60 60 LEU H H 60 7.176 7.564 -0.388 1
1 696 . 17 1 1 A 60 60 LEU CA C 60 54.593 55.019 -0.426 1
1 697 . 17 1 1 A 60 60 LEU HA H 60 4.196 3.946 0.250 1
1 698 . 17 1 1 A 60 60 LEU CB C 60 40.943 41.468 -0.525 1
1 711 . 17 1 1 A 60 60 LEU C C 60 176.774 175.627 1.147 1
1 712 . 17 1 1 A 61 61 ASN N N 61 121.648 124.081 -2.433 1
1 713 . 17 1 1 A 61 61 ASN H H 61 9.391 8.432 0.959 1
1 714 . 17 1 1 A 61 61 ASN CA C 61 51.763 51.731 0.032 1
1 715 . 17 1 1 A 61 61 ASN HA H 61 4.721 4.890 -0.169 1
1 716 . 17 1 1 A 61 61 ASN CB C 61 40.025 39.873 0.152 1
1 722 . 17 1 1 A 61 61 ASN C C 61 176.599 176.008 0.591 1
1 723 . 17 1 1 A 62 62 GLU N N 62 126.707 125.918 0.789 1
1 724 . 17 1 1 A 62 62 GLU H H 62 9.255 8.766 0.489 1
1 725 . 17 1 1 A 62 62 GLU CA C 62 58.926 59.330 -0.404 1
1 726 . 17 1 1 A 62 62 GLU HA H 62 3.688 3.973 -0.285 1
1 727 . 17 1 1 A 62 62 GLU CB C 62 29.479 29.086 0.393 1
1 733 . 17 1 1 A 62 62 GLU C C 62 176.196 177.969 -1.773 1
1 734 . 17 1 1 A 63 63 ASP N N 63 116.763 120.234 -3.471 1
1 735 . 17 1 1 A 63 63 ASP H H 63 8.317 8.443 -0.126 1
1 736 . 17 1 1 A 63 63 ASP CA C 63 55.499 56.607 -1.108 1
1 737 . 17 1 1 A 63 63 ASP HA H 63 4.509 4.374 0.135 1
1 738 . 17 1 1 A 63 63 ASP CB C 63 40.697 40.323 0.374 1
1 741 . 17 1 1 A 63 63 ASP C C 63 177.195 177.220 -0.025 1
1 742 . 17 1 1 A 64 64 ASP N N 64 123.036 118.511 4.525 1
1 743 . 17 1 1 A 64 64 ASP H H 64 7.422 8.124 -0.702 1
1 744 . 17 1 1 A 64 64 ASP CA C 64 52.760 53.178 -0.418 1
1 745 . 17 1 1 A 64 64 ASP HA H 64 4.949 4.904 0.045 1
1 746 . 17 1 1 A 64 64 ASP CB C 64 38.920 38.723 0.197 1
1 749 . 17 1 1 A 64 64 ASP C C 64 174.979 176.108 -1.129 1
1 750 . 17 1 1 A 65 65 ALA N N 65 123.411 123.679 -0.268 1
1 751 . 17 1 1 A 65 65 ALA H H 65 7.527 8.023 -0.496 1
1 752 . 17 1 1 A 65 65 ALA CA C 65 55.750 55.267 0.483 1
1 753 . 17 1 1 A 65 65 ALA HA H 65 4.295 4.016 0.279 1
1 754 . 17 1 1 A 65 65 ALA CB C 65 19.889 18.247 1.642 1
1 758 . 17 1 1 A 65 65 ALA C C 65 181.114 179.617 1.497 1
1 759 . 17 1 1 A 66 66 VAL N N 66 119.151 118.744 0.407 1
1 760 . 17 1 1 A 66 66 VAL H H 66 8.305 8.104 0.201 1
1 761 . 17 1 1 A 66 66 VAL CA C 66 67.423 66.845 0.578 1
1 762 . 17 1 1 A 66 66 VAL HA H 66 3.292 3.493 -0.201 1
1 763 . 17 1 1 A 66 66 VAL CB C 66 31.418 31.568 -0.150 1
1 773 . 17 1 1 A 66 66 VAL C C 66 177.471 177.942 -0.471 1
1 774 . 17 1 1 A 67 67 GLU N N 67 117.895 118.967 -1.072 1
1 775 . 17 1 1 A 67 67 GLU H H 67 8.256 8.174 0.082 1
1 776 . 17 1 1 A 67 67 GLU CA C 67 59.831 59.707 0.124 1
1 777 . 17 1 1 A 67 67 GLU HA H 67 3.901 3.921 -0.020 1
1 778 . 17 1 1 A 67 67 GLU CB C 67 28.963 29.469 -0.506 1
1 784 . 17 1 1 A 67 67 GLU C C 67 179.796 179.301 0.495 1
1 785 . 17 1 1 A 68 68 ASN N N 68 119.611 118.010 1.601 1
1 786 . 17 1 1 A 68 68 ASN H H 68 9.019 8.500 0.519 1
1 787 . 17 1 1 A 68 68 ASN CA C 68 55.797 56.276 -0.479 1
1 788 . 17 1 1 A 68 68 ASN HA H 68 4.325 4.312 0.013 1
1 789 . 17 1 1 A 68 68 ASN CB C 68 37.140 38.021 -0.881 1
1 795 . 17 1 1 A 68 68 ASN C C 68 177.193 178.062 -0.869 1
1 796 . 17 1 1 A 69 69 ASN N N 69 115.555 117.779 -2.224 1
1 797 . 17 1 1 A 69 69 ASN H H 69 7.589 8.245 -0.656 1
1 798 . 17 1 1 A 69 69 ASN CA C 69 57.155 55.983 1.172 1
1 799 . 17 1 1 A 69 69 ASN HA H 69 3.880 3.987 -0.107 1
1 800 . 17 1 1 A 69 69 ASN CB C 69 40.785 38.070 2.715 1
1 806 . 17 1 1 A 69 69 ASN C C 69 175.062 177.052 -1.990 1
1 807 . 17 1 1 A 70 70 GLN N N 70 115.794 119.336 -3.542 1
1 808 . 17 1 1 A 70 70 GLN H H 70 8.058 7.722 0.336 1
1 809 . 17 1 1 A 70 70 GLN CA C 70 58.400 58.770 -0.370 1
1 810 . 17 1 1 A 70 70 GLN HA H 70 3.591 4.136 -0.545 1
1 811 . 17 1 1 A 70 70 GLN CB C 70 29.420 28.454 0.966 1
1 820 . 17 1 1 A 70 70 GLN C C 70 176.954 177.816 -0.862 1
1 821 . 17 1 1 A 71 71 LEU N N 71 118.631 120.815 -2.184 1
1 822 . 17 1 1 A 71 71 LEU H H 71 8.090 8.162 -0.072 1
1 823 . 17 1 1 A 71 71 LEU CA C 71 58.121 58.440 -0.319 1
1 824 . 17 1 1 A 71 71 LEU HA H 71 4.291 3.973 0.318 1
1 825 . 17 1 1 A 71 71 LEU CB C 71 42.100 41.954 0.146 1
1 838 . 17 1 1 A 71 71 LEU C C 71 177.664 178.213 -0.549 1
1 839 . 17 1 1 A 72 72 ALA N N 72 119.977 120.170 -0.193 1
1 840 . 17 1 1 A 72 72 ALA H H 72 7.274 7.929 -0.655 1
1 841 . 17 1 1 A 72 72 ALA CA C 72 55.807 55.240 0.567 1
1 842 . 17 1 1 A 72 72 ALA HA H 72 3.873 4.091 -0.218 1
1 843 . 17 1 1 A 72 72 ALA CB C 72 18.412 18.491 -0.079 1
1 847 . 17 1 1 A 72 72 ALA C C 72 179.676 180.239 -0.563 1
1 848 . 17 1 1 A 73 73 PHE N N 73 115.018 116.238 -1.220 1
1 849 . 17 1 1 A 73 73 PHE H H 73 8.722 7.846 0.876 1
1 850 . 17 1 1 A 73 73 PHE CA C 73 56.889 61.956 -5.067 1
1 851 . 17 1 1 A 73 73 PHE HA H 73 4.848 4.610 0.238 1
1 852 . 17 1 1 A 73 73 PHE CB C 73 37.404 39.078 -1.674 1
1 865 . 17 1 1 A 73 73 PHE C C 73 180.123 178.132 1.991 1
1 866 . 17 1 1 A 74 74 ASP N N 74 122.136 119.516 2.620 1
1 867 . 17 1 1 A 74 74 ASP H H 74 9.262 8.721 0.541 1
1 868 . 17 1 1 A 74 74 ASP CA C 74 57.648 57.612 0.036 1
1 869 . 17 1 1 A 74 74 ASP HA H 74 4.550 4.392 0.158 1
1 870 . 17 1 1 A 74 74 ASP CB C 74 40.073 41.661 -1.588 1
1 873 . 17 1 1 A 74 74 ASP C C 74 179.818 178.751 1.067 1
1 874 . 17 1 1 A 75 75 VAL N N 75 122.521 119.314 3.207 1
1 875 . 17 1 1 A 75 75 VAL H H 75 9.080 8.542 0.538 1
1 876 . 17 1 1 A 75 75 VAL CA C 75 66.894 66.208 0.686 1
1 877 . 17 1 1 A 75 75 VAL HA H 75 3.611 3.671 -0.060 1
1 878 . 17 1 1 A 75 75 VAL CB C 75 31.943 31.485 0.458 1
1 888 . 17 1 1 A 75 75 VAL C C 75 177.813 178.029 -0.216 1
1 889 . 17 1 1 A 76 76 ALA N N 76 121.109 122.014 -0.905 1
1 890 . 17 1 1 A 76 76 ALA H H 76 8.813 8.280 0.533 1
1 891 . 17 1 1 A 76 76 ALA CA C 76 55.181 55.900 -0.719 1
1 892 . 17 1 1 A 76 76 ALA HA H 76 4.092 3.845 0.247 1
1 893 . 17 1 1 A 76 76 ALA CB C 76 19.324 18.825 0.499 1
1 897 . 17 1 1 A 76 76 ALA C C 76 180.373 179.339 1.034 1
1 898 . 17 1 1 A 77 77 GLU N N 77 120.309 118.685 1.624 1
1 899 . 17 1 1 A 77 77 GLU H H 77 8.257 8.099 0.158 1
1 900 . 17 1 1 A 77 77 GLU CA C 77 59.818 58.827 0.991 1
1 901 . 17 1 1 A 77 77 GLU HA H 77 3.982 4.185 -0.203 1
1 902 . 17 1 1 A 77 77 GLU CB C 77 30.530 29.644 0.886 1
1 908 . 17 1 1 A 77 77 GLU C C 77 178.591 178.634 -0.043 1
1 909 . 17 1 1 A 78 78 ARG N N 78 119.060 119.636 -0.576 1
1 910 . 17 1 1 A 78 78 ARG H H 78 8.325 8.062 0.263 1
1 911 . 17 1 1 A 78 78 ARG CA C 78 59.232 58.353 0.879 1
1 912 . 17 1 1 A 78 78 ARG HA H 78 4.048 4.163 -0.115 1
1 913 . 17 1 1 A 78 78 ARG CB C 78 31.462 30.397 1.065 1
1 924 . 17 1 1 A 78 78 ARG C C 78 178.327 177.667 0.660 1
1 925 . 17 1 1 A 79 79 GLU N N 79 114.012 117.506 -3.494 1
1 926 . 17 1 1 A 79 79 GLU H H 79 8.878 8.265 0.613 1
1 927 . 17 1 1 A 79 79 GLU CA C 79 56.599 57.861 -1.262 1
1 928 . 17 1 1 A 79 79 GLU HA H 79 4.329 4.454 -0.125 1
1 929 . 17 1 1 A 79 79 GLU CB C 79 28.771 30.873 -2.102 1
1 935 . 17 1 1 A 79 79 GLU C C 79 178.301 178.295 0.006 1
1 936 . 17 1 1 A 80 80 PHE N N 80 113.394 117.207 -3.813 1
1 937 . 17 1 1 A 80 80 PHE H H 80 6.906 7.713 -0.807 1
1 938 . 17 1 1 A 80 80 PHE CA C 80 53.518 58.039 -4.521 1
1 939 . 17 1 1 A 80 80 PHE HA H 80 5.246 4.594 0.652 1
1 940 . 17 1 1 A 80 80 PHE CB C 80 39.910 39.081 0.829 1
1 953 . 17 1 1 A 80 80 PHE C C 80 176.487 175.921 0.566 1
1 954 . 17 1 1 A 81 81 GLY N N 81 108.698 109.136 -0.438 1
1 955 . 17 1 1 A 81 81 GLY H H 81 7.352 8.491 -1.139 1
1 956 . 17 1 1 A 81 81 GLY CA C 81 46.520 46.001 0.519 1
1 957 . 17 1 1 A 81 81 GLY HA2 H 81 3.975 4.008 -0.033 1
1 958 . 17 1 1 A 81 81 GLY HA3 H 81 3.975 4.010 -0.035 1
1 959 . 17 1 1 A 81 81 GLY C C 81 174.711 174.390 0.321 1
1 960 . 17 1 1 A 82 82 ILE N N 82 122.486 121.862 0.624 1
1 961 . 17 1 1 A 82 82 ILE H H 82 7.507 7.268 0.239 1
1 962 . 17 1 1 A 82 82 ILE CA C 82 58.810 58.106 0.704 1
1 963 . 17 1 1 A 82 82 ILE HA H 82 4.285 4.373 -0.088 1
1 964 . 17 1 1 A 82 82 ILE CB C 82 39.376 39.455 -0.079 1
1 977 . 17 1 1 A 82 82 ILE C C 82 172.836 174.261 -1.425 1
1 978 . 17 1 1 A 83 83 PRO CA C 83 60.989 61.887 -0.898 1
1 979 . 17 1 1 A 83 83 PRO HA H 83 4.589 4.677 -0.088 1
1 980 . 17 1 1 A 83 83 PRO CB C 83 31.107 32.271 -1.164 1
1 989 . 17 1 1 A 84 84 PRO CA C 84 62.860 62.506 0.354 1
1 990 . 17 1 1 A 84 84 PRO HA H 84 4.405 4.541 -0.136 1
1 991 . 17 1 1 A 84 84 PRO CB C 84 32.638 32.344 0.294 1
1 1000 . 17 1 1 A 84 84 PRO C C 84 177.894 176.300 1.594 1
1 1001 . 17 1 1 A 85 85 VAL N N 85 114.062 115.439 -1.377 1
1 1002 . 17 1 1 A 85 85 VAL H H 85 6.621 7.585 -0.964 1
1 1003 . 17 1 1 A 85 85 VAL CA C 85 61.000 62.129 -1.129 1
1 1004 . 17 1 1 A 85 85 VAL HA H 85 4.080 4.110 -0.030 1
1 1005 . 17 1 1 A 85 85 VAL CB C 85 32.725 32.732 -0.007 1
1 1015 . 17 1 1 A 85 85 VAL C C 85 174.315 175.654 -1.339 1
1 1016 . 17 1 1 A 86 86 THR N N 86 114.774 114.437 0.337 1
1 1017 . 17 1 1 A 86 86 THR H H 86 6.827 7.251 -0.424 1
1 1018 . 17 1 1 A 86 86 THR CA C 86 59.336 59.664 -0.328 1
1 1019 . 17 1 1 A 86 86 THR HA H 86 4.442 4.662 -0.220 1
1 1020 . 17 1 1 A 86 86 THR CB C 86 68.016 71.623 -3.607 1
1 1026 . 17 1 1 A 86 86 THR C C 86 172.724 172.200 0.524 1
1 1027 . 17 1 1 A 87 87 THR N N 87 109.655 116.809 -7.154 1
1 1028 . 17 1 1 A 87 87 THR H H 87 8.313 8.569 -0.256 1
1 1029 . 17 1 1 A 87 87 THR CA C 87 59.870 60.384 -0.514 1
1 1030 . 17 1 1 A 87 87 THR HA H 87 5.000 4.778 0.222 1
1 1031 . 17 1 1 A 87 87 THR CB C 87 72.527 70.174 2.353 1
1 1037 . 17 1 1 A 87 87 THR C C 87 176.440 175.845 0.595 1
1 1038 . 17 1 1 A 88 88 GLY N N 88 110.531 111.005 -0.474 1
1 1039 . 17 1 1 A 88 88 GLY H H 88 9.655 8.952 0.703 1
1 1040 . 17 1 1 A 88 88 GLY CA C 88 49.124 47.651 1.473 1
1 1041 . 17 1 1 A 88 88 GLY HA2 H 88 4.115 3.949 0.166 1
1 1042 . 17 1 1 A 88 88 GLY HA3 H 88 3.755 4.072 -0.317 1
1 1043 . 17 1 1 A 88 88 GLY C C 88 175.154 175.758 -0.604 1
1 1044 . 17 1 1 A 89 89 LYS N N 89 119.606 121.837 -2.231 1
1 1045 . 17 1 1 A 89 89 LYS H H 89 8.542 8.102 0.440 1
1 1046 . 17 1 1 A 89 89 LYS CA C 89 59.687 59.646 0.041 1
1 1047 . 17 1 1 A 89 89 LYS HA H 89 4.030 3.992 0.038 1
1 1048 . 17 1 1 A 89 89 LYS CB C 89 32.733 32.296 0.437 1
1 1060 . 17 1 1 A 89 89 LYS C C 89 178.921 178.980 -0.059 1
1 1061 . 17 1 1 A 90 90 GLU N N 90 118.992 119.490 -0.498 1
1 1062 . 17 1 1 A 90 90 GLU H H 90 7.610 7.826 -0.216 1
1 1063 . 17 1 1 A 90 90 GLU CA C 90 59.238 59.668 -0.430 1
1 1064 . 17 1 1 A 90 90 GLU HA H 90 4.008 4.051 -0.043 1
1 1065 . 17 1 1 A 90 90 GLU CB C 90 29.946 29.186 0.760 1
1 1071 . 17 1 1 A 90 90 GLU C C 90 179.366 178.513 0.853 1
1 1072 . 17 1 1 A 91 91 MET N N 91 120.109 118.909 1.200 1
1 1073 . 17 1 1 A 91 91 MET H H 91 8.468 8.511 -0.043 1
1 1074 . 17 1 1 A 91 91 MET CA C 91 57.606 58.590 -0.984 1
1 1075 . 17 1 1 A 91 91 MET HA H 91 4.355 4.024 0.331 1
1 1076 . 17 1 1 A 91 91 MET CB C 91 32.364 31.876 0.488 1
1 1086 . 17 1 1 A 91 91 MET C C 91 177.168 178.141 -0.973 1
1 1087 . 17 1 1 A 92 92 ALA N N 92 115.912 122.256 -6.344 1
1 1088 . 17 1 1 A 92 92 ALA H H 92 7.876 7.830 0.046 1
1 1089 . 17 1 1 A 92 92 ALA CA C 92 53.278 54.122 -0.844 1
1 1090 . 17 1 1 A 92 92 ALA HA H 92 4.316 4.194 0.122 1
1 1091 . 17 1 1 A 92 92 ALA CB C 92 20.275 18.607 1.668 1
1 1095 . 17 1 1 A 92 92 ALA C C 92 178.672 179.384 -0.712 1
1 1096 . 17 1 1 A 93 93 SER N N 93 111.760 113.084 -1.324 1
1 1097 . 17 1 1 A 93 93 SER H H 93 7.431 8.071 -0.640 1
1 1098 . 17 1 1 A 93 93 SER CA C 93 58.584 61.607 -3.023 1
1 1099 . 17 1 1 A 93 93 SER HA H 93 4.471 4.290 0.181 1
1 1100 . 17 1 1 A 93 93 SER CB C 93 64.582 63.224 1.358 1
1 1103 . 17 1 1 A 93 93 SER C C 93 173.576 175.508 -1.932 1
1 1104 . 17 1 1 A 94 94 ALA N N 94 123.381 122.589 0.792 1
1 1105 . 17 1 1 A 94 94 ALA H H 94 7.903 7.942 -0.039 1
1 1106 . 17 1 1 A 94 94 ALA CA C 94 52.760 52.419 0.341 1
1 1107 . 17 1 1 A 94 94 ALA HA H 94 4.267 4.223 0.044 1
1 1108 . 17 1 1 A 94 94 ALA CB C 94 18.364 18.812 -0.448 1
1 1112 . 17 1 1 A 94 94 ALA C C 94 177.611 177.786 -0.175 1
1 1113 . 17 1 1 A 95 95 GLN N N 95 120.874 125.037 -4.163 1
1 1114 . 17 1 1 A 95 95 GLN H H 95 8.305 8.528 -0.223 1
1 1115 . 17 1 1 A 95 95 GLN CA C 95 56.821 59.389 -2.568 1
1 1116 . 17 1 1 A 95 95 GLN HA H 95 4.185 4.013 0.172 1
1 1117 . 17 1 1 A 95 95 GLN CB C 95 29.052 28.915 0.137 1
1 1126 . 17 1 1 A 95 95 GLN C C 95 175.975 176.208 -0.233 1
1 1127 . 17 1 1 A 96 96 GLU N N 96 120.251 117.958 2.293 1
1 1128 . 17 1 1 A 96 96 GLU H H 96 8.402 7.973 0.429 1
1 1129 . 17 1 1 A 96 96 GLU CA C 96 54.378 52.916 1.462 1
1 1130 . 17 1 1 A 96 96 GLU HA H 96 4.537 4.709 -0.172 1
1 1131 . 17 1 1 A 96 96 GLU CB C 96 30.216 30.613 -0.397 1
1 1137 . 17 1 1 A 96 96 GLU C C 96 173.618 174.642 -1.024 1
1 1138 . 17 1 1 A 97 97 PRO CA C 97 62.763 62.237 0.526 1
1 1139 . 17 1 1 A 97 97 PRO HA H 97 4.362 4.615 -0.253 1
1 1140 . 17 1 1 A 97 97 PRO CB C 97 32.356 33.003 -0.647 1
1 1149 . 17 1 1 A 97 97 PRO C C 97 174.841 175.666 -0.825 1
1 1150 . 17 1 1 A 98 98 ASP N N 98 120.272 121.507 -1.235 1
1 1151 . 17 1 1 A 98 98 ASP H H 98 8.396 8.601 -0.205 1
1 1152 . 17 1 1 A 98 98 ASP CA C 98 54.555 53.451 1.104 1
1 1153 . 17 1 1 A 98 98 ASP HA H 98 4.409 4.726 -0.317 1
1 1154 . 17 1 1 A 98 98 ASP CB C 98 42.248 41.156 1.092 1
1 1157 . 17 1 1 A 98 98 ASP C C 98 176.253 177.129 -0.876 1
1 1158 . 17 1 1 A 99 99 LYS N N 99 126.808 126.932 -0.124 1
1 1159 . 17 1 1 A 99 99 LYS H H 99 8.454 8.668 -0.214 1
1 1160 . 17 1 1 A 99 99 LYS CA C 99 60.158 59.322 0.836 1
1 1161 . 17 1 1 A 99 99 LYS HA H 99 3.705 3.961 -0.256 1
1 1162 . 17 1 1 A 99 99 LYS CB C 99 32.832 32.208 0.624 1
1 1174 . 17 1 1 A 99 99 LYS C C 99 177.621 178.416 -0.795 1
1 1175 . 17 1 1 A 100 100 LEU N N 100 118.450 120.296 -1.846 1
1 1176 . 17 1 1 A 100 100 LEU H H 100 8.160 7.633 0.527 1
1 1177 . 17 1 1 A 100 100 LEU CA C 100 58.094 57.861 0.233 1
1 1178 . 17 1 1 A 100 100 LEU HA H 100 4.020 3.830 0.190 1
1 1179 . 17 1 1 A 100 100 LEU CB C 100 40.800 41.751 -0.951 1
1 1192 . 17 1 1 A 100 100 LEU C C 100 179.776 178.506 1.270 1
1 1193 . 17 1 1 A 101 101 SER N N 101 115.644 113.438 2.206 1
1 1194 . 17 1 1 A 101 101 SER H H 101 8.047 8.268 -0.221 1
1 1195 . 17 1 1 A 101 101 SER CA C 101 61.765 61.786 -0.021 1
1 1196 . 17 1 1 A 101 101 SER HA H 101 4.174 4.142 0.032 1
1 1197 . 17 1 1 A 101 101 SER CB C 101 62.609 62.974 -0.365 1
1 1200 . 17 1 1 A 101 101 SER C C 101 176.476 176.338 0.138 1
1 1201 . 17 1 1 A 102 102 MET N N 102 120.653 120.226 0.427 1
1 1202 . 17 1 1 A 102 102 MET H H 102 8.027 7.722 0.305 1
1 1203 . 17 1 1 A 102 102 MET CA C 102 56.380 58.291 -1.911 1
1 1204 . 17 1 1 A 102 102 MET HA H 102 4.508 4.294 0.214 1
1 1205 . 17 1 1 A 102 102 MET CB C 102 30.731 33.074 -2.343 1
1 1215 . 17 1 1 A 102 102 MET C C 102 178.903 178.310 0.593 1
1 1216 . 17 1 1 A 103 103 VAL N N 103 119.836 119.594 0.242 1
1 1217 . 17 1 1 A 103 103 VAL H H 103 8.556 8.065 0.491 1
1 1218 . 17 1 1 A 103 103 VAL CA C 103 67.049 66.722 0.327 1
1 1219 . 17 1 1 A 103 103 VAL HA H 103 3.370 3.462 -0.092 1
1 1220 . 17 1 1 A 103 103 VAL CB C 103 31.583 31.758 -0.175 1
1 1230 . 17 1 1 A 103 103 VAL C C 103 179.225 177.820 1.405 1
1 1231 . 17 1 1 A 104 104 MET N N 104 120.390 118.736 1.654 1
1 1232 . 17 1 1 A 104 104 MET H H 104 8.112 8.782 -0.670 1
1 1233 . 17 1 1 A 104 104 MET CA C 104 58.991 58.380 0.611 1
1 1234 . 17 1 1 A 104 104 MET HA H 104 4.047 4.259 -0.212 1
1 1235 . 17 1 1 A 104 104 MET CB C 104 31.979 32.356 -0.377 1
1 1245 . 17 1 1 A 104 104 MET C C 104 178.210 178.146 0.064 1
1 1246 . 17 1 1 A 105 105 TYR N N 105 120.956 122.132 -1.176 1
1 1247 . 17 1 1 A 105 105 TYR H H 105 8.185 8.021 0.164 1
1 1248 . 17 1 1 A 105 105 TYR CA C 105 61.449 61.467 -0.018 1
1 1249 . 17 1 1 A 105 105 TYR HA H 105 4.317 4.258 0.059 1
1 1250 . 17 1 1 A 105 105 TYR CB C 105 40.259 38.558 1.701 1
1 1261 . 17 1 1 A 105 105 TYR C C 105 177.805 177.090 0.715 1
1 1262 . 17 1 1 A 106 106 LEU N N 106 116.468 120.047 -3.579 1
1 1263 . 17 1 1 A 106 106 LEU H H 106 9.088 8.303 0.785 1
1 1264 . 17 1 1 A 106 106 LEU CA C 106 57.744 57.666 0.078 1
1 1265 . 17 1 1 A 106 106 LEU HA H 106 4.139 4.096 0.043 1
1 1266 . 17 1 1 A 106 106 LEU CB C 106 42.285 40.913 1.372 1
1 1279 . 17 1 1 A 106 106 LEU C C 106 180.758 179.452 1.306 1
1 1280 . 17 1 1 A 107 107 SER N N 107 114.570 114.854 -0.284 1
1 1281 . 17 1 1 A 107 107 SER H H 107 8.338 7.944 0.394 1
1 1282 . 17 1 1 A 107 107 SER CA C 107 63.030 62.092 0.938 1
1 1283 . 17 1 1 A 107 107 SER HA H 107 4.016 4.012 0.004 1
1 1284 . 17 1 1 A 107 107 SER CB C 107 62.866 62.739 0.127 1
1 1287 . 17 1 1 A 107 107 SER C C 107 175.377 176.785 -1.408 1
1 1288 . 17 1 1 A 108 108 LYS N N 108 120.221 121.511 -1.290 1
1 1289 . 17 1 1 A 108 108 LYS H H 108 7.522 7.420 0.102 1
1 1290 . 17 1 1 A 108 108 LYS CA C 108 58.870 58.781 0.089 1
1 1291 . 17 1 1 A 108 108 LYS HA H 108 3.910 3.906 0.004 1
1 1292 . 17 1 1 A 108 108 LYS CB C 108 31.719 31.709 0.010 1
1 1304 . 17 1 1 A 108 108 LYS C C 108 179.587 178.892 0.695 1
1 1305 . 17 1 1 A 109 109 PHE N N 109 118.900 118.937 -0.037 1
1 1306 . 17 1 1 A 109 109 PHE H H 109 7.282 7.769 -0.487 1
1 1307 . 17 1 1 A 109 109 PHE CA C 109 61.501 60.448 1.053 1
1 1308 . 17 1 1 A 109 109 PHE HA H 109 3.550 4.209 -0.659 1
1 1309 . 17 1 1 A 109 109 PHE CB C 109 38.201 38.734 -0.533 1
1 1322 . 17 1 1 A 109 109 PHE C C 109 176.181 177.753 -1.572 1
1 1323 . 17 1 1 A 110 110 TYR N N 110 120.089 119.051 1.038 1
1 1324 . 17 1 1 A 110 110 TYR H H 110 7.417 8.521 -1.104 1
1 1325 . 17 1 1 A 110 110 TYR CA C 110 60.263 61.409 -1.146 1
1 1326 . 17 1 1 A 110 110 TYR HA H 110 2.584 2.893 -0.309 1
1 1327 . 17 1 1 A 110 110 TYR CB C 110 38.138 38.205 -0.067 1
1 1338 . 17 1 1 A 110 110 TYR C C 110 176.298 177.200 -0.902 1
1 1339 . 17 1 1 A 111 111 GLU N N 111 115.750 117.893 -2.143 1
1 1340 . 17 1 1 A 111 111 GLU H H 111 7.899 8.075 -0.176 1
1 1341 . 17 1 1 A 111 111 GLU CA C 111 58.712 58.758 -0.046 1
1 1342 . 17 1 1 A 111 111 GLU HA H 111 3.528 3.748 -0.220 1
1 1343 . 17 1 1 A 111 111 GLU CB C 111 29.429 29.735 -0.306 1
1 1349 . 17 1 1 A 111 111 GLU C C 111 178.367 178.733 -0.366 1
1 1350 . 17 1 1 A 112 112 LEU N N 112 118.646 121.375 -2.729 1
1 1351 . 17 1 1 A 112 112 LEU H H 112 6.922 7.434 -0.512 1
1 1352 . 17 1 1 A 112 112 LEU CA C 112 57.107 57.849 -0.742 1
1 1353 . 17 1 1 A 112 112 LEU HA H 112 3.775 3.855 -0.080 1
1 1354 . 17 1 1 A 112 112 LEU CB C 112 42.499 41.494 1.005 1
1 1367 . 17 1 1 A 112 112 LEU C C 112 178.820 178.127 0.693 1
1 1368 . 17 1 1 A 113 113 PHE N N 113 114.884 115.097 -0.213 1
1 1369 . 17 1 1 A 113 113 PHE H H 113 7.723 8.352 -0.629 1
1 1370 . 17 1 1 A 113 113 PHE CA C 113 57.108 59.845 -2.737 1
1 1371 . 17 1 1 A 113 113 PHE HA H 113 4.495 4.132 0.363 1
1 1372 . 17 1 1 A 113 113 PHE CB C 113 38.324 39.704 -1.380 1
1 1385 . 17 1 1 A 113 113 PHE C C 113 177.445 176.824 0.621 1
1 1386 . 17 1 1 A 114 114 ARG N N 114 119.913 117.690 2.223 1
1 1387 . 17 1 1 A 114 114 ARG H H 114 7.840 7.656 0.184 1
1 1388 . 17 1 1 A 114 114 ARG CA C 114 57.747 56.193 1.554 1
1 1389 . 17 1 1 A 114 114 ARG HA H 114 4.164 4.205 -0.041 1
1 1390 . 17 1 1 A 114 114 ARG CB C 114 28.994 30.187 -1.193 1
1 1399 . 17 1 1 A 114 114 ARG C C 114 177.051 176.010 1.041 1
1 1400 . 17 1 1 A 115 115 GLY N N 115 108.376 113.425 -5.049 1
1 1401 . 17 1 1 A 115 115 GLY H H 115 8.070 8.718 -0.648 1
1 1402 . 17 1 1 A 115 115 GLY CA C 115 45.201 45.583 -0.382 1
1 1403 . 17 1 1 A 115 115 GLY HA2 H 115 3.873 4.150 -0.277 1
1 1404 . 17 1 1 A 115 115 GLY HA3 H 115 3.988 4.162 -0.174 1
1 1405 . 17 1 1 A 115 115 GLY C C 115 173.987 172.267 1.720 1
1 1406 . 17 1 1 A 116 116 THR N N 116 116.618 117.804 -1.186 1
1 1407 . 17 1 1 A 116 116 THR H H 116 7.858 8.738 -0.880 1
1 1408 . 17 1 1 A 116 116 THR CA C 116 60.032 58.210 1.822 1
1 1409 . 17 1 1 A 116 116 THR HA H 116 4.620 4.918 -0.298 1
1 1410 . 17 1 1 A 116 116 THR CB C 116 70.082 72.559 -2.477 1
1 1416 . 17 1 1 A 116 116 THR C C 116 172.615 172.010 0.605 1
1 1417 . 17 1 1 A 117 117 PRO CA C 117 63.086 62.278 0.808 1
1 1418 . 17 1 1 A 117 117 PRO HA H 117 4.451 4.588 -0.137 1
1 1419 . 17 1 1 A 117 117 PRO CB C 117 32.220 32.546 -0.326 1
1 1428 . 17 1 1 A 117 117 PRO C C 117 176.812 176.776 0.036 1
1 1429 . 17 1 1 A 118 118 LEU N N 118 122.695 119.207 3.488 1
1 1430 . 17 1 1 A 118 118 LEU H H 118 8.424 8.379 0.045 1
1 1431 . 17 1 1 A 118 118 LEU CA C 118 55.266 53.653 1.613 1
1 1432 . 17 1 1 A 118 118 LEU HA H 118 4.276 4.382 -0.106 1
1 1433 . 17 1 1 A 118 118 LEU CB C 118 42.339 43.303 -0.964 1
1 1446 . 17 1 1 A 118 118 LEU C C 118 177.027 176.998 0.029 1
1 1447 . 17 1 1 A 119 119 ARG N N 119 122.979 118.108 4.871 1
1 1448 . 17 1 1 A 119 119 ARG H H 119 8.250 9.030 -0.780 1
1 1449 . 17 1 1 A 119 119 ARG CA C 119 53.688 53.239 0.449 1
1 1450 . 17 1 1 A 119 119 ARG HA H 119 4.644 4.952 -0.308 1
1 1451 . 17 1 1 A 119 119 ARG CB C 119 30.469 33.280 -2.811 1
1 1460 . 17 1 1 A 119 119 ARG C C 119 174.019 173.479 0.540 1
1 1461 . 17 1 1 A 120 120 PRO CA C 120 63.366 62.672 0.694 1
1 1462 . 17 1 1 A 120 120 PRO HA H 120 4.440 4.778 -0.338 1
1 1463 . 17 1 1 A 120 120 PRO CB C 120 31.958 31.672 0.286 1
1 1472 . 17 1 1 A 120 120 PRO C C 120 176.104 177.156 -1.052 1
1 1 . 18 1 1 A 6 6 SER CA C 6 58.867 57.522 1.345 1
1 2 . 18 1 1 A 6 6 SER HA H 6 4.432 4.923 -0.491 1
1 3 . 18 1 1 A 6 6 SER CB C 6 63.603 65.338 -1.735 1
1 6 . 18 1 1 A 6 6 SER C C 6 175.018 174.450 0.568 1
1 7 . 18 1 1 A 7 7 GLY N N 7 110.530 110.515 0.015 1
1 8 . 18 1 1 A 7 7 GLY H H 7 8.382 8.333 0.049 1
1 9 . 18 1 1 A 7 7 GLY CA C 7 45.311 44.125 1.186 1
1 10 . 18 1 1 A 7 7 GLY HA2 H 7 3.922 4.106 -0.184 1
1 11 . 18 1 1 A 7 7 GLY HA3 H 7 3.922 4.106 -0.184 1
1 12 . 18 1 1 A 7 7 GLY C C 7 173.740 171.152 2.588 1
1 13 . 18 1 1 A 8 8 ASP N N 8 120.471 120.792 -0.321 1
1 14 . 18 1 1 A 8 8 ASP H H 8 8.121 8.601 -0.480 1
1 15 . 18 1 1 A 8 8 ASP CA C 8 54.214 53.154 1.060 1
1 16 . 18 1 1 A 8 8 ASP HA H 8 4.560 5.377 -0.817 1
1 17 . 18 1 1 A 8 8 ASP CB C 8 41.172 45.021 -3.849 1
1 20 . 18 1 1 A 8 8 ASP C C 8 176.082 174.178 1.904 1
1 21 . 18 1 1 A 9 9 ILE N N 9 121.785 126.743 -4.958 1
1 22 . 18 1 1 A 9 9 ILE H H 9 8.115 8.884 -0.769 1
1 23 . 18 1 1 A 9 9 ILE CA C 9 60.327 61.788 -1.461 1
1 24 . 18 1 1 A 9 9 ILE HA H 9 4.083 4.046 0.037 1
1 25 . 18 1 1 A 9 9 ILE CB C 9 38.394 36.971 1.423 1
1 38 . 18 1 1 A 9 9 ILE C C 9 175.579 175.385 0.194 1
1 39 . 18 1 1 A 10 10 ARG N N 10 125.977 128.045 -2.068 1
1 40 . 18 1 1 A 10 10 ARG H H 10 8.319 8.735 -0.416 1
1 41 . 18 1 1 A 10 10 ARG CA C 10 54.661 61.208 -6.547 1
1 42 . 18 1 1 A 10 10 ARG HA H 10 4.493 4.050 0.443 1
1 43 . 18 1 1 A 10 10 ARG CB C 10 29.730 29.327 0.403 1
1 52 . 18 1 1 A 10 10 ARG C C 10 175.511 176.950 -1.439 1
1 53 . 18 1 1 A 11 11 PRO CA C 11 65.595 64.007 1.588 1
1 54 . 18 1 1 A 11 11 PRO HA H 11 4.064 4.377 -0.313 1
1 55 . 18 1 1 A 11 11 PRO CB C 11 31.690 31.916 -0.226 1
1 64 . 18 1 1 A 12 12 SER CA C 12 60.656 61.508 -0.852 1
1 65 . 18 1 1 A 12 12 SER HA H 12 4.194 4.197 -0.003 1
1 66 . 18 1 1 A 12 12 SER CB C 12 62.321 62.644 -0.323 1
1 69 . 18 1 1 A 13 13 LYS H H 13 7.510 8.003 -0.493 1
1 70 . 18 1 1 A 13 13 LYS CA C 13 58.585 58.847 -0.262 1
1 71 . 18 1 1 A 13 13 LYS HA H 13 4.186 4.093 0.093 1
1 72 . 18 1 1 A 13 13 LYS CB C 13 32.274 32.312 -0.038 1
1 84 . 18 1 1 A 13 13 LYS C C 13 179.028 178.365 0.663 1
1 85 . 18 1 1 A 14 14 LEU N N 14 121.315 120.884 0.431 1
1 86 . 18 1 1 A 14 14 LEU H H 14 7.968 8.149 -0.181 1
1 87 . 18 1 1 A 14 14 LEU CA C 14 57.648 58.557 -0.909 1
1 88 . 18 1 1 A 14 14 LEU HA H 14 3.889 3.774 0.115 1
1 89 . 18 1 1 A 14 14 LEU CB C 14 42.171 41.620 0.551 1
1 102 . 18 1 1 A 14 14 LEU C C 14 178.689 178.527 0.162 1
1 103 . 18 1 1 A 15 15 LEU N N 15 120.526 119.741 0.785 1
1 104 . 18 1 1 A 15 15 LEU H H 15 8.546 8.270 0.276 1
1 105 . 18 1 1 A 15 15 LEU CA C 15 59.227 58.522 0.705 1
1 106 . 18 1 1 A 15 15 LEU HA H 15 4.038 4.127 -0.089 1
1 107 . 18 1 1 A 15 15 LEU CB C 15 40.993 41.785 -0.792 1
1 120 . 18 1 1 A 15 15 LEU C C 15 178.020 178.819 -0.799 1
1 121 . 18 1 1 A 16 16 THR N N 16 114.667 113.725 0.942 1
1 122 . 18 1 1 A 16 16 THR H H 16 7.945 7.931 0.014 1
1 123 . 18 1 1 A 16 16 THR CA C 16 66.778 66.414 0.364 1
1 124 . 18 1 1 A 16 16 THR HA H 16 4.162 3.923 0.239 1
1 125 . 18 1 1 A 16 16 THR CB C 16 68.914 68.574 0.340 1
1 131 . 18 1 1 A 16 16 THR C C 16 176.419 176.784 -0.365 1
1 132 . 18 1 1 A 17 17 TRP N N 17 122.548 121.241 1.307 1
1 133 . 18 1 1 A 17 17 TRP H H 17 8.242 8.158 0.084 1
1 134 . 18 1 1 A 17 17 TRP CA C 17 63.006 61.516 1.490 1
1 135 . 18 1 1 A 17 17 TRP HA H 17 4.442 4.258 0.184 1
1 136 . 18 1 1 A 17 17 TRP CB C 17 28.530 30.130 -1.600 1
1 151 . 18 1 1 A 17 17 TRP C C 17 178.678 177.732 0.946 1
1 152 . 18 1 1 A 18 18 CYS N N 18 117.202 117.225 -0.023 1
1 153 . 18 1 1 A 18 18 CYS H H 18 8.993 8.263 0.730 1
1 154 . 18 1 1 A 18 18 CYS CA C 18 64.830 63.376 1.454 1
1 155 . 18 1 1 A 18 18 CYS HA H 18 3.855 3.769 0.086 1
1 156 . 18 1 1 A 18 18 CYS CB C 18 27.945 27.500 0.445 1
1 159 . 18 1 1 A 18 18 CYS C C 18 178.411 177.397 1.014 1
1 160 . 18 1 1 A 19 19 GLN N N 19 120.296 119.258 1.038 1
1 161 . 18 1 1 A 19 19 GLN H H 19 8.696 8.383 0.313 1
1 162 . 18 1 1 A 19 19 GLN CA C 19 59.705 58.786 0.919 1
1 163 . 18 1 1 A 19 19 GLN HA H 19 3.654 4.275 -0.621 1
1 164 . 18 1 1 A 19 19 GLN CB C 19 27.820 28.359 -0.539 1
1 173 . 18 1 1 A 19 19 GLN C C 19 177.957 178.772 -0.815 1
1 174 . 18 1 1 A 20 20 GLN N N 20 119.247 119.430 -0.183 1
1 175 . 18 1 1 A 20 20 GLN H H 20 8.306 8.406 -0.100 1
1 176 . 18 1 1 A 20 20 GLN CA C 20 58.838 59.170 -0.332 1
1 177 . 18 1 1 A 20 20 GLN HA H 20 4.016 4.008 0.008 1
1 178 . 18 1 1 A 20 20 GLN CB C 20 28.000 28.401 -0.401 1
1 187 . 18 1 1 A 20 20 GLN C C 20 179.476 178.941 0.535 1
1 188 . 18 1 1 A 21 21 GLN N N 21 113.337 118.465 -5.128 1
1 189 . 18 1 1 A 21 21 GLN H H 21 7.999 8.048 -0.049 1
1 190 . 18 1 1 A 21 21 GLN CA C 21 55.909 58.834 -2.925 1
1 191 . 18 1 1 A 21 21 GLN HA H 21 4.043 3.862 0.181 1
1 192 . 18 1 1 A 21 21 GLN CB C 21 27.676 27.844 -0.168 1
1 201 . 18 1 1 A 21 21 GLN C C 21 177.394 178.846 -1.452 1
1 202 . 18 1 1 A 22 22 THR N N 22 103.485 111.731 -8.246 1
1 203 . 18 1 1 A 22 22 THR H H 22 7.119 7.781 -0.662 1
1 204 . 18 1 1 A 22 22 THR CA C 22 61.272 65.725 -4.453 1
1 205 . 18 1 1 A 22 22 THR HA H 22 4.092 3.749 0.343 1
1 206 . 18 1 1 A 22 22 THR CB C 22 69.448 68.164 1.284 1
1 212 . 18 1 1 A 22 22 THR C C 22 174.644 174.850 -0.206 1
1 213 . 18 1 1 A 23 23 GLU N N 23 125.366 122.220 3.146 1
1 214 . 18 1 1 A 23 23 GLU H H 23 6.949 8.136 -1.187 1
1 215 . 18 1 1 A 23 23 GLU CA C 23 58.389 58.557 -0.168 1
1 216 . 18 1 1 A 23 23 GLU HA H 23 3.999 3.951 0.048 1
1 217 . 18 1 1 A 23 23 GLU CB C 23 29.683 29.557 0.126 1
1 223 . 18 1 1 A 23 23 GLU C C 23 177.061 177.379 -0.318 1
1 224 . 18 1 1 A 24 24 GLY N N 24 112.717 115.248 -2.531 1
1 225 . 18 1 1 A 24 24 GLY H H 24 8.732 8.969 -0.237 1
1 226 . 18 1 1 A 24 24 GLY CA C 24 45.326 45.099 0.227 1
1 227 . 18 1 1 A 24 24 GLY HA2 H 24 3.988 3.955 0.033 1
1 228 . 18 1 1 A 24 24 GLY HA3 H 24 3.538 3.960 -0.422 1
1 229 . 18 1 1 A 24 24 GLY C C 24 174.531 174.180 0.351 1
1 230 . 18 1 1 A 25 25 TYR N N 25 120.189 119.717 0.472 1
1 231 . 18 1 1 A 25 25 TYR H H 25 7.488 7.761 -0.273 1
1 232 . 18 1 1 A 25 25 TYR CA C 25 59.028 58.331 0.697 1
1 233 . 18 1 1 A 25 25 TYR HA H 25 3.947 4.236 -0.289 1
1 234 . 18 1 1 A 25 25 TYR CB C 25 37.202 38.641 -1.439 1
1 245 . 18 1 1 A 25 25 TYR C C 25 176.354 175.674 0.680 1
1 246 . 18 1 1 A 26 26 GLN N N 26 125.301 121.468 3.833 1
1 247 . 18 1 1 A 26 26 GLN H H 26 8.877 8.258 0.619 1
1 248 . 18 1 1 A 26 26 GLN CA C 26 56.923 55.938 0.985 1
1 249 . 18 1 1 A 26 26 GLN HA H 26 3.866 4.404 -0.538 1
1 250 . 18 1 1 A 26 26 GLN CB C 26 28.808 29.397 -0.589 1
1 259 . 18 1 1 A 26 26 GLN C C 26 175.582 175.743 -0.161 1
1 260 . 18 1 1 A 27 27 HIS N N 27 111.738 115.220 -3.482 1
1 261 . 18 1 1 A 27 27 HIS H H 27 8.581 8.691 -0.110 1
1 262 . 18 1 1 A 27 27 HIS CA C 27 56.937 57.144 -0.207 1
1 263 . 18 1 1 A 27 27 HIS HA H 27 4.174 3.985 0.189 1
1 264 . 18 1 1 A 27 27 HIS CB C 27 26.839 26.992 -0.153 1
1 271 . 18 1 1 A 27 27 HIS C C 27 172.979 174.232 -1.253 1
1 272 . 18 1 1 A 28 28 VAL N N 28 118.229 119.109 -0.880 1
1 273 . 18 1 1 A 28 28 VAL H H 28 7.377 7.636 -0.259 1
1 274 . 18 1 1 A 28 28 VAL CA C 28 61.927 61.723 0.204 1
1 275 . 18 1 1 A 28 28 VAL HA H 28 3.922 4.193 -0.271 1
1 276 . 18 1 1 A 28 28 VAL CB C 28 33.373 32.727 0.646 1
1 286 . 18 1 1 A 28 28 VAL C C 28 174.687 173.840 0.847 1
1 287 . 18 1 1 A 29 29 ASN N N 29 125.832 127.875 -2.043 1
1 288 . 18 1 1 A 29 29 ASN H H 29 8.604 9.158 -0.554 1
1 289 . 18 1 1 A 29 29 ASN CA C 29 52.651 51.698 0.953 1
1 290 . 18 1 1 A 29 29 ASN HA H 29 4.682 5.102 -0.420 1
1 291 . 18 1 1 A 29 29 ASN CB C 29 39.124 39.091 0.033 1
1 297 . 18 1 1 A 29 29 ASN C C 29 173.380 173.792 -0.412 1
1 298 . 18 1 1 A 30 30 VAL N N 30 125.146 126.102 -0.956 1
1 299 . 18 1 1 A 30 30 VAL H H 30 9.203 8.712 0.491 1
1 300 . 18 1 1 A 30 30 VAL CA C 30 63.838 63.102 0.736 1
1 301 . 18 1 1 A 30 30 VAL HA H 30 3.699 3.990 -0.291 1
1 302 . 18 1 1 A 30 30 VAL CB C 30 31.136 30.779 0.357 1
1 312 . 18 1 1 A 30 30 VAL C C 30 176.046 176.532 -0.486 1
1 313 . 18 1 1 A 31 31 THR N N 31 118.952 118.459 0.493 1
1 314 . 18 1 1 A 31 31 THR H H 31 8.396 8.768 -0.372 1
1 315 . 18 1 1 A 31 31 THR CA C 31 60.985 62.089 -1.104 1
1 316 . 18 1 1 A 31 31 THR HA H 31 4.316 4.615 -0.299 1
1 317 . 18 1 1 A 31 31 THR CB C 31 70.087 70.200 -0.113 1
1 323 . 18 1 1 A 31 31 THR C C 31 173.296 174.619 -1.323 1
1 324 . 18 1 1 A 32 32 ASP N N 32 120.757 120.695 0.062 1
1 325 . 18 1 1 A 32 32 ASP H H 32 8.078 7.676 0.402 1
1 326 . 18 1 1 A 32 32 ASP CA C 32 53.069 52.937 0.132 1
1 327 . 18 1 1 A 32 32 ASP HA H 32 4.536 5.122 -0.586 1
1 328 . 18 1 1 A 32 32 ASP CB C 32 41.527 43.778 -2.251 1
1 331 . 18 1 1 A 32 32 ASP C C 32 174.931 175.647 -0.716 1
1 332 . 18 1 1 A 33 33 LEU N N 33 117.024 120.043 -3.019 1
1 333 . 18 1 1 A 33 33 LEU H H 33 8.733 8.377 0.356 1
1 334 . 18 1 1 A 33 33 LEU CA C 33 54.453 54.538 -0.085 1
1 335 . 18 1 1 A 33 33 LEU HA H 33 4.834 4.942 -0.108 1
1 336 . 18 1 1 A 33 33 LEU CB C 33 41.867 41.731 0.136 1
1 349 . 18 1 1 A 33 33 LEU C C 33 174.039 177.353 -3.314 1
1 350 . 18 1 1 A 34 34 THR N N 34 103.873 112.277 -8.404 1
1 351 . 18 1 1 A 34 34 THR H H 34 7.900 7.917 -0.017 1
1 352 . 18 1 1 A 34 34 THR CA C 34 60.434 62.783 -2.349 1
1 353 . 18 1 1 A 34 34 THR HA H 34 4.519 4.616 -0.097 1
1 354 . 18 1 1 A 34 34 THR CB C 34 70.237 69.957 0.280 1
1 360 . 18 1 1 A 34 34 THR C C 34 175.954 175.843 0.111 1
1 361 . 18 1 1 A 35 35 THR N N 35 118.103 115.257 2.846 1
1 362 . 18 1 1 A 35 35 THR H H 35 9.363 8.501 0.862 1
1 363 . 18 1 1 A 35 35 THR CA C 35 66.422 65.850 0.572 1
1 364 . 18 1 1 A 35 35 THR HA H 35 3.981 4.153 -0.172 1
1 365 . 18 1 1 A 35 35 THR CB C 35 68.720 68.389 0.331 1
1 371 . 18 1 1 A 35 35 THR C C 35 177.778 176.857 0.921 1
1 372 . 18 1 1 A 36 36 SER N N 36 120.417 116.529 3.888 1
1 373 . 18 1 1 A 36 36 SER H H 36 10.544 8.315 2.229 1
1 374 . 18 1 1 A 36 36 SER CA C 36 61.076 62.591 -1.515 1
1 375 . 18 1 1 A 36 36 SER HA H 36 4.395 4.153 0.242 1
1 376 . 18 1 1 A 36 36 SER CB C 36 63.485 63.197 0.288 1
1 379 . 18 1 1 A 36 36 SER C C 36 173.956 175.492 -1.536 1
1 380 . 18 1 1 A 37 37 TRP N N 37 121.387 118.397 2.990 1
1 381 . 18 1 1 A 37 37 TRP H H 37 8.126 8.116 0.010 1
1 382 . 18 1 1 A 37 37 TRP CA C 37 57.689 56.264 1.425 1
1 383 . 18 1 1 A 37 37 TRP HA H 37 4.340 5.084 -0.744 1
1 384 . 18 1 1 A 37 37 TRP CB C 37 28.915 29.038 -0.123 1
1 399 . 18 1 1 A 37 37 TRP C C 37 176.751 176.648 0.103 1
1 400 . 18 1 1 A 38 38 ARG N N 38 121.787 119.315 2.472 1
1 401 . 18 1 1 A 38 38 ARG H H 38 7.473 8.478 -1.005 1
1 402 . 18 1 1 A 38 38 ARG CA C 38 60.250 58.870 1.380 1
1 403 . 18 1 1 A 38 38 ARG HA H 38 4.065 4.203 -0.138 1
1 404 . 18 1 1 A 38 38 ARG CB C 38 30.807 30.159 0.648 1
1 415 . 18 1 1 A 38 38 ARG C C 38 177.636 178.382 -0.746 1
1 416 . 18 1 1 A 39 39 SER N N 39 110.340 114.196 -3.856 1
1 417 . 18 1 1 A 39 39 SER H H 39 8.665 7.695 0.970 1
1 418 . 18 1 1 A 39 39 SER CA C 39 59.336 59.122 0.214 1
1 419 . 18 1 1 A 39 39 SER HA H 39 4.349 4.496 -0.147 1
1 420 . 18 1 1 A 39 39 SER CB C 39 64.907 64.280 0.627 1
1 423 . 18 1 1 A 39 39 SER C C 39 174.768 174.583 0.185 1
1 424 . 18 1 1 A 40 40 GLY N N 40 109.467 108.868 0.599 1
1 425 . 18 1 1 A 40 40 GLY H H 40 7.549 7.838 -0.289 1
1 426 . 18 1 1 A 40 40 GLY CA C 40 46.347 45.347 1.000 1
1 427 . 18 1 1 A 40 40 GLY HA2 H 40 3.875 3.851 0.024 1
1 428 . 18 1 1 A 40 40 GLY HA3 H 40 3.915 3.931 -0.016 1
1 429 . 18 1 1 A 40 40 GLY C C 40 173.725 175.950 -2.225 1
1 430 . 18 1 1 A 41 41 LEU N N 41 117.562 121.738 -4.176 1
1 431 . 18 1 1 A 41 41 LEU H H 41 7.287 8.125 -0.838 1
1 432 . 18 1 1 A 41 41 LEU CA C 41 57.482 57.831 -0.349 1
1 433 . 18 1 1 A 41 41 LEU HA H 41 3.882 3.660 0.222 1
1 434 . 18 1 1 A 41 41 LEU CB C 41 42.615 41.416 1.199 1
1 447 . 18 1 1 A 41 41 LEU C C 41 178.159 178.683 -0.524 1
1 448 . 18 1 1 A 42 42 ALA N N 42 121.758 120.774 0.984 1
1 449 . 18 1 1 A 42 42 ALA H H 42 8.506 8.204 0.302 1
1 450 . 18 1 1 A 42 42 ALA CA C 42 55.694 55.020 0.674 1
1 451 . 18 1 1 A 42 42 ALA HA H 42 3.582 3.725 -0.143 1
1 452 . 18 1 1 A 42 42 ALA CB C 42 17.039 17.853 -0.814 1
1 456 . 18 1 1 A 42 42 ALA C C 42 178.076 179.386 -1.310 1
1 457 . 18 1 1 A 43 43 LEU N N 43 118.332 118.981 -0.649 1
1 458 . 18 1 1 A 43 43 LEU H H 43 8.933 7.633 1.300 1
1 459 . 18 1 1 A 43 43 LEU CA C 43 57.425 57.878 -0.453 1
1 460 . 18 1 1 A 43 43 LEU HA H 43 4.308 4.372 -0.064 1
1 461 . 18 1 1 A 43 43 LEU CB C 43 42.068 41.789 0.279 1
1 474 . 18 1 1 A 43 43 LEU C C 43 179.198 178.650 0.548 1
1 475 . 18 1 1 A 44 44 CYS N N 44 115.098 117.056 -1.958 1
1 476 . 18 1 1 A 44 44 CYS H H 44 7.607 8.554 -0.947 1
1 477 . 18 1 1 A 44 44 CYS CA C 44 65.664 62.792 2.872 1
1 478 . 18 1 1 A 44 44 CYS HA H 44 4.035 4.120 -0.085 1
1 479 . 18 1 1 A 44 44 CYS CB C 44 27.516 26.935 0.581 1
1 482 . 18 1 1 A 44 44 CYS C C 44 176.222 177.075 -0.853 1
1 483 . 18 1 1 A 45 45 ALA N N 45 121.778 122.263 -0.485 1
1 484 . 18 1 1 A 45 45 ALA H H 45 8.435 8.297 0.138 1
1 485 . 18 1 1 A 45 45 ALA CA C 45 55.306 54.834 0.472 1
1 486 . 18 1 1 A 45 45 ALA HA H 45 3.184 3.991 -0.807 1
1 487 . 18 1 1 A 45 45 ALA CB C 45 17.395 17.596 -0.201 1
1 491 . 18 1 1 A 45 45 ALA C C 45 177.510 179.728 -2.218 1
1 492 . 18 1 1 A 46 46 ILE N N 46 116.463 118.065 -1.602 1
1 493 . 18 1 1 A 46 46 ILE H H 46 7.527 7.633 -0.106 1
1 494 . 18 1 1 A 46 46 ILE CA C 46 65.137 64.896 0.241 1
1 495 . 18 1 1 A 46 46 ILE HA H 46 3.267 3.479 -0.212 1
1 496 . 18 1 1 A 46 46 ILE CB C 46 37.084 37.962 -0.878 1
1 509 . 18 1 1 A 46 46 ILE C C 46 176.744 178.356 -1.612 1
1 510 . 18 1 1 A 47 47 ILE N N 47 115.676 120.125 -4.449 1
1 511 . 18 1 1 A 47 47 ILE H H 47 7.786 7.901 -0.115 1
1 512 . 18 1 1 A 47 47 ILE CA C 47 66.948 65.453 1.495 1
1 513 . 18 1 1 A 47 47 ILE HA H 47 3.754 3.879 -0.125 1
1 514 . 18 1 1 A 47 47 ILE CB C 47 38.335 38.252 0.083 1
1 527 . 18 1 1 A 47 47 ILE C C 47 176.853 178.233 -1.380 1
1 528 . 18 1 1 A 48 48 HIS N N 48 120.066 119.522 0.544 1
1 529 . 18 1 1 A 48 48 HIS H H 48 8.569 8.711 -0.142 1
1 530 . 18 1 1 A 48 48 HIS CA C 48 60.767 60.314 0.453 1
1 531 . 18 1 1 A 48 48 HIS HA H 48 3.918 4.406 -0.488 1
1 532 . 18 1 1 A 48 48 HIS CB C 48 31.245 29.766 1.479 1
1 539 . 18 1 1 A 48 48 HIS C C 48 175.841 177.004 -1.163 1
1 540 . 18 1 1 A 49 49 ARG N N 49 118.781 118.138 0.643 1
1 541 . 18 1 1 A 49 49 ARG H H 49 8.572 8.598 -0.026 1
1 542 . 18 1 1 A 49 49 ARG CA C 49 58.152 59.324 -1.172 1
1 543 . 18 1 1 A 49 49 ARG HA H 49 3.680 4.104 -0.424 1
1 544 . 18 1 1 A 49 49 ARG CB C 49 28.454 30.063 -1.609 1
1 555 . 18 1 1 A 49 49 ARG C C 49 177.830 179.016 -1.186 1
1 556 . 18 1 1 A 50 50 PHE N N 50 113.909 117.774 -3.865 1
1 557 . 18 1 1 A 50 50 PHE H H 50 6.900 7.822 -0.922 1
1 558 . 18 1 1 A 50 50 PHE CA C 50 59.885 59.755 0.130 1
1 559 . 18 1 1 A 50 50 PHE HA H 50 4.281 4.366 -0.085 1
1 560 . 18 1 1 A 50 50 PHE CB C 50 41.527 39.414 2.113 1
1 573 . 18 1 1 A 50 50 PHE C C 50 176.867 176.096 0.771 1
1 574 . 18 1 1 A 51 51 ARG N N 51 120.652 118.822 1.830 1
1 575 . 18 1 1 A 51 51 ARG H H 51 9.059 8.423 0.636 1
1 576 . 18 1 1 A 51 51 ARG CA C 51 51.499 53.800 -2.301 1
1 577 . 18 1 1 A 51 51 ARG HA H 51 4.942 4.805 0.137 1
1 578 . 18 1 1 A 51 51 ARG CB C 51 30.307 30.646 -0.339 1
1 589 . 18 1 1 A 51 51 ARG C C 51 172.670 174.611 -1.941 1
1 590 . 18 1 1 A 52 52 PRO CA C 52 64.948 64.200 0.748 1
1 591 . 18 1 1 A 52 52 PRO HA H 52 4.343 4.179 0.164 1
1 592 . 18 1 1 A 52 52 PRO CB C 52 31.091 31.436 -0.345 1
1 601 . 18 1 1 A 52 52 PRO C C 52 177.406 177.791 -0.385 1
1 602 . 18 1 1 A 53 53 GLU N N 53 118.219 118.373 -0.154 1
1 603 . 18 1 1 A 53 53 GLU H H 53 9.784 8.224 1.560 1
1 604 . 18 1 1 A 53 53 GLU CA C 53 57.285 59.522 -2.237 1
1 605 . 18 1 1 A 53 53 GLU HA H 53 4.322 4.132 0.190 1
1 606 . 18 1 1 A 53 53 GLU CB C 53 27.771 29.436 -1.665 1
1 612 . 18 1 1 A 53 53 GLU C C 53 177.957 179.162 -1.205 1
1 613 . 18 1 1 A 54 54 LEU N N 54 119.316 118.137 1.179 1
1 614 . 18 1 1 A 54 54 LEU H H 54 8.212 7.526 0.686 1
1 615 . 18 1 1 A 54 54 LEU CA C 54 55.943 56.966 -1.023 1
1 616 . 18 1 1 A 54 54 LEU HA H 54 4.337 4.133 0.204 1
1 617 . 18 1 1 A 54 54 LEU CB C 54 43.122 42.930 0.192 1
1 630 . 18 1 1 A 54 54 LEU C C 54 177.159 177.117 0.042 1
1 631 . 18 1 1 A 55 55 ILE N N 55 115.493 117.913 -2.420 1
1 632 . 18 1 1 A 55 55 ILE H H 55 6.990 7.831 -0.841 1
1 633 . 18 1 1 A 55 55 ILE CA C 55 59.645 60.006 -0.361 1
1 634 . 18 1 1 A 55 55 ILE HA H 55 4.230 4.767 -0.537 1
1 635 . 18 1 1 A 55 55 ILE CB C 55 43.159 42.028 1.131 1
1 648 . 18 1 1 A 55 55 ILE C C 55 173.302 174.307 -1.005 1
1 649 . 18 1 1 A 56 56 ASN N N 56 124.568 125.330 -0.762 1
1 650 . 18 1 1 A 56 56 ASN H H 56 8.984 8.857 0.127 1
1 651 . 18 1 1 A 56 56 ASN CA C 56 51.198 51.483 -0.285 1
1 652 . 18 1 1 A 56 56 ASN HA H 56 5.100 5.227 -0.127 1
1 653 . 18 1 1 A 56 56 ASN CB C 56 36.452 39.169 -2.717 1
1 659 . 18 1 1 A 56 56 ASN C C 56 175.902 175.461 0.441 1
1 660 . 18 1 1 A 57 57 PHE N N 57 126.548 126.669 -0.121 1
1 661 . 18 1 1 A 57 57 PHE H H 57 7.219 8.953 -1.734 1
1 662 . 18 1 1 A 57 57 PHE CA C 57 62.399 62.495 -0.096 1
1 663 . 18 1 1 A 57 57 PHE HA H 57 3.514 3.920 -0.406 1
1 664 . 18 1 1 A 57 57 PHE CB C 57 39.553 39.840 -0.287 1
1 677 . 18 1 1 A 57 57 PHE C C 57 176.597 176.837 -0.240 1
1 678 . 18 1 1 A 58 58 ASP N N 58 116.755 119.783 -3.028 1
1 679 . 18 1 1 A 58 58 ASP H H 58 8.691 8.389 0.302 1
1 680 . 18 1 1 A 58 58 ASP CA C 58 56.635 57.514 -0.879 1
1 681 . 18 1 1 A 58 58 ASP HA H 58 4.324 4.485 -0.161 1
1 682 . 18 1 1 A 58 58 ASP CB C 58 40.262 41.909 -1.647 1
1 685 . 18 1 1 A 58 58 ASP C C 58 176.562 178.391 -1.829 1
1 686 . 18 1 1 A 59 59 SER N N 59 112.320 112.490 -0.170 1
1 687 . 18 1 1 A 59 59 SER H H 59 7.412 8.005 -0.593 1
1 688 . 18 1 1 A 59 59 SER CA C 59 58.740 61.258 -2.518 1
1 689 . 18 1 1 A 59 59 SER HA H 59 4.365 4.362 0.003 1
1 690 . 18 1 1 A 59 59 SER CB C 59 64.598 63.045 1.553 1
1 693 . 18 1 1 A 59 59 SER C C 59 174.309 174.634 -0.325 1
1 694 . 18 1 1 A 60 60 LEU N N 60 121.693 122.029 -0.336 1
1 695 . 18 1 1 A 60 60 LEU H H 60 7.176 7.435 -0.259 1
1 696 . 18 1 1 A 60 60 LEU CA C 60 54.593 55.773 -1.180 1
1 697 . 18 1 1 A 60 60 LEU HA H 60 4.196 4.080 0.116 1
1 698 . 18 1 1 A 60 60 LEU CB C 60 40.943 41.940 -0.997 1
1 711 . 18 1 1 A 60 60 LEU C C 60 176.774 176.089 0.685 1
1 712 . 18 1 1 A 61 61 ASN N N 61 121.648 124.287 -2.639 1
1 713 . 18 1 1 A 61 61 ASN H H 61 9.391 8.501 0.890 1
1 714 . 18 1 1 A 61 61 ASN CA C 61 51.763 51.525 0.238 1
1 715 . 18 1 1 A 61 61 ASN HA H 61 4.721 4.933 -0.212 1
1 716 . 18 1 1 A 61 61 ASN CB C 61 40.025 39.311 0.714 1
1 722 . 18 1 1 A 61 61 ASN C C 61 176.599 175.288 1.311 1
1 723 . 18 1 1 A 62 62 GLU N N 62 126.707 126.742 -0.035 1
1 724 . 18 1 1 A 62 62 GLU H H 62 9.255 8.836 0.419 1
1 725 . 18 1 1 A 62 62 GLU CA C 62 58.926 60.306 -1.380 1
1 726 . 18 1 1 A 62 62 GLU HA H 62 3.688 3.857 -0.169 1
1 727 . 18 1 1 A 62 62 GLU CB C 62 29.479 29.614 -0.135 1
1 733 . 18 1 1 A 62 62 GLU C C 62 176.196 177.718 -1.522 1
1 734 . 18 1 1 A 63 63 ASP N N 63 116.763 119.975 -3.212 1
1 735 . 18 1 1 A 63 63 ASP H H 63 8.317 8.607 -0.290 1
1 736 . 18 1 1 A 63 63 ASP CA C 63 55.499 57.487 -1.988 1
1 737 . 18 1 1 A 63 63 ASP HA H 63 4.509 4.421 0.088 1
1 738 . 18 1 1 A 63 63 ASP CB C 63 40.697 41.707 -1.010 1
1 741 . 18 1 1 A 63 63 ASP C C 63 177.195 177.293 -0.098 1
1 742 . 18 1 1 A 64 64 ASP N N 64 123.036 117.427 5.609 1
1 743 . 18 1 1 A 64 64 ASP H H 64 7.422 8.248 -0.826 1
1 744 . 18 1 1 A 64 64 ASP CA C 64 52.760 53.550 -0.790 1
1 745 . 18 1 1 A 64 64 ASP HA H 64 4.949 4.954 -0.005 1
1 746 . 18 1 1 A 64 64 ASP CB C 64 38.920 40.368 -1.448 1
1 749 . 18 1 1 A 64 64 ASP C C 64 174.979 176.115 -1.136 1
1 750 . 18 1 1 A 65 65 ALA N N 65 123.411 123.062 0.349 1
1 751 . 18 1 1 A 65 65 ALA H H 65 7.527 7.856 -0.329 1
1 752 . 18 1 1 A 65 65 ALA CA C 65 55.750 55.343 0.407 1
1 753 . 18 1 1 A 65 65 ALA HA H 65 4.295 3.927 0.368 1
1 754 . 18 1 1 A 65 65 ALA CB C 65 19.889 18.500 1.389 1
1 758 . 18 1 1 A 65 65 ALA C C 65 181.114 179.959 1.155 1
1 759 . 18 1 1 A 66 66 VAL N N 66 119.151 118.357 0.794 1
1 760 . 18 1 1 A 66 66 VAL H H 66 8.305 8.253 0.052 1
1 761 . 18 1 1 A 66 66 VAL CA C 66 67.423 67.066 0.357 1
1 762 . 18 1 1 A 66 66 VAL HA H 66 3.292 3.619 -0.327 1
1 763 . 18 1 1 A 66 66 VAL CB C 66 31.418 31.573 -0.155 1
1 773 . 18 1 1 A 66 66 VAL C C 66 177.471 177.798 -0.327 1
1 774 . 18 1 1 A 67 67 GLU N N 67 117.895 118.813 -0.918 1
1 775 . 18 1 1 A 67 67 GLU H H 67 8.256 8.303 -0.047 1
1 776 . 18 1 1 A 67 67 GLU CA C 67 59.831 59.702 0.129 1
1 777 . 18 1 1 A 67 67 GLU HA H 67 3.901 3.942 -0.041 1
1 778 . 18 1 1 A 67 67 GLU CB C 67 28.963 29.190 -0.227 1
1 784 . 18 1 1 A 67 67 GLU C C 67 179.796 179.045 0.751 1
1 785 . 18 1 1 A 68 68 ASN N N 68 119.611 118.382 1.229 1
1 786 . 18 1 1 A 68 68 ASN H H 68 9.019 8.389 0.630 1
1 787 . 18 1 1 A 68 68 ASN CA C 68 55.797 56.275 -0.478 1
1 788 . 18 1 1 A 68 68 ASN HA H 68 4.325 4.358 -0.033 1
1 789 . 18 1 1 A 68 68 ASN CB C 68 37.140 38.123 -0.983 1
1 795 . 18 1 1 A 68 68 ASN C C 68 177.193 178.044 -0.851 1
1 796 . 18 1 1 A 69 69 ASN N N 69 115.555 117.916 -2.361 1
1 797 . 18 1 1 A 69 69 ASN H H 69 7.589 8.463 -0.874 1
1 798 . 18 1 1 A 69 69 ASN CA C 69 57.155 56.194 0.961 1
1 799 . 18 1 1 A 69 69 ASN HA H 69 3.880 4.051 -0.171 1
1 800 . 18 1 1 A 69 69 ASN CB C 69 40.785 38.231 2.554 1
1 806 . 18 1 1 A 69 69 ASN C C 69 175.062 177.164 -2.102 1
1 807 . 18 1 1 A 70 70 GLN N N 70 115.794 119.300 -3.506 1
1 808 . 18 1 1 A 70 70 GLN H H 70 8.058 8.036 0.022 1
1 809 . 18 1 1 A 70 70 GLN CA C 70 58.400 59.028 -0.628 1
1 810 . 18 1 1 A 70 70 GLN HA H 70 3.591 4.203 -0.612 1
1 811 . 18 1 1 A 70 70 GLN CB C 70 29.420 28.548 0.872 1
1 820 . 18 1 1 A 70 70 GLN C C 70 176.954 177.886 -0.932 1
1 821 . 18 1 1 A 71 71 LEU N N 71 118.631 120.834 -2.203 1
1 822 . 18 1 1 A 71 71 LEU H H 71 8.090 8.075 0.015 1
1 823 . 18 1 1 A 71 71 LEU CA C 71 58.121 58.396 -0.275 1
1 824 . 18 1 1 A 71 71 LEU HA H 71 4.291 4.017 0.274 1
1 825 . 18 1 1 A 71 71 LEU CB C 71 42.100 41.976 0.124 1
1 838 . 18 1 1 A 71 71 LEU C C 71 177.664 178.129 -0.465 1
1 839 . 18 1 1 A 72 72 ALA N N 72 119.977 120.230 -0.253 1
1 840 . 18 1 1 A 72 72 ALA H H 72 7.274 8.183 -0.909 1
1 841 . 18 1 1 A 72 72 ALA CA C 72 55.807 55.049 0.758 1
1 842 . 18 1 1 A 72 72 ALA HA H 72 3.873 4.072 -0.199 1
1 843 . 18 1 1 A 72 72 ALA CB C 72 18.412 18.563 -0.151 1
1 847 . 18 1 1 A 72 72 ALA C C 72 179.676 180.038 -0.362 1
1 848 . 18 1 1 A 73 73 PHE N N 73 115.018 116.332 -1.314 1
1 849 . 18 1 1 A 73 73 PHE H H 73 8.722 8.022 0.700 1
1 850 . 18 1 1 A 73 73 PHE CA C 73 56.889 61.920 -5.031 1
1 851 . 18 1 1 A 73 73 PHE HA H 73 4.848 4.643 0.205 1
1 852 . 18 1 1 A 73 73 PHE CB C 73 37.404 39.037 -1.633 1
1 865 . 18 1 1 A 73 73 PHE C C 73 180.123 178.235 1.888 1
1 866 . 18 1 1 A 74 74 ASP N N 74 122.136 118.453 3.683 1
1 867 . 18 1 1 A 74 74 ASP H H 74 9.262 8.782 0.480 1
1 868 . 18 1 1 A 74 74 ASP CA C 74 57.648 57.303 0.345 1
1 869 . 18 1 1 A 74 74 ASP HA H 74 4.550 4.385 0.165 1
1 870 . 18 1 1 A 74 74 ASP CB C 74 40.073 40.799 -0.726 1
1 873 . 18 1 1 A 74 74 ASP C C 74 179.818 178.944 0.874 1
1 874 . 18 1 1 A 75 75 VAL N N 75 122.521 119.355 3.166 1
1 875 . 18 1 1 A 75 75 VAL H H 75 9.080 8.425 0.655 1
1 876 . 18 1 1 A 75 75 VAL CA C 75 66.894 66.273 0.621 1
1 877 . 18 1 1 A 75 75 VAL HA H 75 3.611 3.621 -0.010 1
1 878 . 18 1 1 A 75 75 VAL CB C 75 31.943 31.608 0.335 1
1 888 . 18 1 1 A 75 75 VAL C C 75 177.813 178.144 -0.331 1
1 889 . 18 1 1 A 76 76 ALA N N 76 121.109 122.277 -1.168 1
1 890 . 18 1 1 A 76 76 ALA H H 76 8.813 8.480 0.333 1
1 891 . 18 1 1 A 76 76 ALA CA C 76 55.181 55.364 -0.183 1
1 892 . 18 1 1 A 76 76 ALA HA H 76 4.092 4.076 0.016 1
1 893 . 18 1 1 A 76 76 ALA CB C 76 19.324 18.611 0.713 1
1 897 . 18 1 1 A 76 76 ALA C C 76 180.373 180.181 0.192 1
1 898 . 18 1 1 A 77 77 GLU N N 77 120.309 118.690 1.619 1
1 899 . 18 1 1 A 77 77 GLU H H 77 8.257 8.087 0.170 1
1 900 . 18 1 1 A 77 77 GLU CA C 77 59.818 58.713 1.105 1
1 901 . 18 1 1 A 77 77 GLU HA H 77 3.982 4.240 -0.258 1
1 902 . 18 1 1 A 77 77 GLU CB C 77 30.530 29.617 0.913 1
1 908 . 18 1 1 A 77 77 GLU C C 77 178.591 178.037 0.554 1
1 909 . 18 1 1 A 78 78 ARG N N 78 119.060 119.198 -0.138 1
1 910 . 18 1 1 A 78 78 ARG H H 78 8.325 7.743 0.582 1
1 911 . 18 1 1 A 78 78 ARG CA C 78 59.232 57.074 2.158 1
1 912 . 18 1 1 A 78 78 ARG HA H 78 4.048 4.379 -0.331 1
1 913 . 18 1 1 A 78 78 ARG CB C 78 31.462 30.985 0.477 1
1 924 . 18 1 1 A 78 78 ARG C C 78 178.327 177.175 1.152 1
1 925 . 18 1 1 A 79 79 GLU N N 79 114.012 116.295 -2.283 1
1 926 . 18 1 1 A 79 79 GLU H H 79 8.878 8.200 0.678 1
1 927 . 18 1 1 A 79 79 GLU CA C 79 56.599 57.738 -1.139 1
1 928 . 18 1 1 A 79 79 GLU HA H 79 4.329 4.345 -0.016 1
1 929 . 18 1 1 A 79 79 GLU CB C 79 28.771 30.707 -1.936 1
1 935 . 18 1 1 A 79 79 GLU C C 79 178.301 178.075 0.226 1
1 936 . 18 1 1 A 80 80 PHE N N 80 113.394 116.995 -3.601 1
1 937 . 18 1 1 A 80 80 PHE H H 80 6.906 7.298 -0.392 1
1 938 . 18 1 1 A 80 80 PHE CA C 80 53.518 58.007 -4.489 1
1 939 . 18 1 1 A 80 80 PHE HA H 80 5.246 4.568 0.678 1
1 940 . 18 1 1 A 80 80 PHE CB C 80 39.910 39.386 0.524 1
1 953 . 18 1 1 A 80 80 PHE C C 80 176.487 176.227 0.260 1
1 954 . 18 1 1 A 81 81 GLY N N 81 108.698 108.953 -0.255 1
1 955 . 18 1 1 A 81 81 GLY H H 81 7.352 8.488 -1.136 1
1 956 . 18 1 1 A 81 81 GLY CA C 81 46.520 46.816 -0.296 1
1 957 . 18 1 1 A 81 81 GLY HA2 H 81 3.975 4.011 -0.036 1
1 958 . 18 1 1 A 81 81 GLY HA3 H 81 3.975 4.017 -0.042 1
1 959 . 18 1 1 A 81 81 GLY C C 81 174.711 174.562 0.149 1
1 960 . 18 1 1 A 82 82 ILE N N 82 122.486 122.350 0.136 1
1 961 . 18 1 1 A 82 82 ILE H H 82 7.507 8.058 -0.551 1
1 962 . 18 1 1 A 82 82 ILE CA C 82 58.810 58.146 0.664 1
1 963 . 18 1 1 A 82 82 ILE HA H 82 4.285 4.435 -0.150 1
1 964 . 18 1 1 A 82 82 ILE CB C 82 39.376 40.322 -0.946 1
1 977 . 18 1 1 A 82 82 ILE C C 82 172.836 174.564 -1.728 1
1 978 . 18 1 1 A 83 83 PRO CA C 83 60.989 61.801 -0.812 1
1 979 . 18 1 1 A 83 83 PRO HA H 83 4.589 4.700 -0.111 1
1 980 . 18 1 1 A 83 83 PRO CB C 83 31.107 32.046 -0.939 1
1 989 . 18 1 1 A 84 84 PRO CA C 84 62.860 62.553 0.307 1
1 990 . 18 1 1 A 84 84 PRO HA H 84 4.405 4.440 -0.035 1
1 991 . 18 1 1 A 84 84 PRO CB C 84 32.638 32.361 0.277 1
1 1000 . 18 1 1 A 84 84 PRO C C 84 177.894 176.319 1.575 1
1 1001 . 18 1 1 A 85 85 VAL N N 85 114.062 115.552 -1.490 1
1 1002 . 18 1 1 A 85 85 VAL H H 85 6.621 7.734 -1.113 1
1 1003 . 18 1 1 A 85 85 VAL CA C 85 61.000 62.388 -1.388 1
1 1004 . 18 1 1 A 85 85 VAL HA H 85 4.080 4.143 -0.063 1
1 1005 . 18 1 1 A 85 85 VAL CB C 85 32.725 32.714 0.011 1
1 1015 . 18 1 1 A 85 85 VAL C C 85 174.315 175.691 -1.376 1
1 1016 . 18 1 1 A 86 86 THR N N 86 114.774 114.355 0.419 1
1 1017 . 18 1 1 A 86 86 THR H H 86 6.827 7.249 -0.422 1
1 1018 . 18 1 1 A 86 86 THR CA C 86 59.336 59.569 -0.233 1
1 1019 . 18 1 1 A 86 86 THR HA H 86 4.442 4.713 -0.271 1
1 1020 . 18 1 1 A 86 86 THR CB C 86 68.016 71.721 -3.705 1
1 1026 . 18 1 1 A 86 86 THR C C 86 172.724 172.442 0.282 1
1 1027 . 18 1 1 A 87 87 THR N N 87 109.655 115.595 -5.940 1
1 1028 . 18 1 1 A 87 87 THR H H 87 8.313 8.635 -0.322 1
1 1029 . 18 1 1 A 87 87 THR CA C 87 59.870 60.285 -0.415 1
1 1030 . 18 1 1 A 87 87 THR HA H 87 5.000 4.723 0.277 1
1 1031 . 18 1 1 A 87 87 THR CB C 87 72.527 70.402 2.125 1
1 1037 . 18 1 1 A 87 87 THR C C 87 176.440 175.964 0.476 1
1 1038 . 18 1 1 A 88 88 GLY N N 88 110.531 110.461 0.070 1
1 1039 . 18 1 1 A 88 88 GLY H H 88 9.655 9.006 0.649 1
1 1040 . 18 1 1 A 88 88 GLY CA C 88 49.124 47.664 1.460 1
1 1041 . 18 1 1 A 88 88 GLY HA2 H 88 4.115 3.952 0.163 1
1 1042 . 18 1 1 A 88 88 GLY HA3 H 88 3.755 4.029 -0.274 1
1 1043 . 18 1 1 A 88 88 GLY C C 88 175.154 175.929 -0.775 1
1 1044 . 18 1 1 A 89 89 LYS N N 89 119.606 122.105 -2.499 1
1 1045 . 18 1 1 A 89 89 LYS H H 89 8.542 8.131 0.411 1
1 1046 . 18 1 1 A 89 89 LYS CA C 89 59.687 59.591 0.096 1
1 1047 . 18 1 1 A 89 89 LYS HA H 89 4.030 3.988 0.042 1
1 1048 . 18 1 1 A 89 89 LYS CB C 89 32.733 32.436 0.297 1
1 1060 . 18 1 1 A 89 89 LYS C C 89 178.921 179.277 -0.356 1
1 1061 . 18 1 1 A 90 90 GLU N N 90 118.992 119.620 -0.628 1
1 1062 . 18 1 1 A 90 90 GLU H H 90 7.610 7.838 -0.228 1
1 1063 . 18 1 1 A 90 90 GLU CA C 90 59.238 59.354 -0.116 1
1 1064 . 18 1 1 A 90 90 GLU HA H 90 4.008 4.105 -0.097 1
1 1065 . 18 1 1 A 90 90 GLU CB C 90 29.946 28.999 0.947 1
1 1071 . 18 1 1 A 90 90 GLU C C 90 179.366 178.594 0.772 1
1 1072 . 18 1 1 A 91 91 MET N N 91 120.109 118.958 1.151 1
1 1073 . 18 1 1 A 91 91 MET H H 91 8.468 8.559 -0.091 1
1 1074 . 18 1 1 A 91 91 MET CA C 91 57.606 58.544 -0.938 1
1 1075 . 18 1 1 A 91 91 MET HA H 91 4.355 4.071 0.284 1
1 1076 . 18 1 1 A 91 91 MET CB C 91 32.364 32.404 -0.040 1
1 1086 . 18 1 1 A 91 91 MET C C 91 177.168 178.035 -0.867 1
1 1087 . 18 1 1 A 92 92 ALA N N 92 115.912 121.422 -5.510 1
1 1088 . 18 1 1 A 92 92 ALA H H 92 7.876 7.810 0.066 1
1 1089 . 18 1 1 A 92 92 ALA CA C 92 53.278 54.550 -1.272 1
1 1090 . 18 1 1 A 92 92 ALA HA H 92 4.316 4.332 -0.016 1
1 1091 . 18 1 1 A 92 92 ALA CB C 92 20.275 18.866 1.409 1
1 1095 . 18 1 1 A 92 92 ALA C C 92 178.672 179.300 -0.628 1
1 1096 . 18 1 1 A 93 93 SER N N 93 111.760 113.833 -2.073 1
1 1097 . 18 1 1 A 93 93 SER H H 93 7.431 8.432 -1.001 1
1 1098 . 18 1 1 A 93 93 SER CA C 93 58.584 62.244 -3.660 1
1 1099 . 18 1 1 A 93 93 SER HA H 93 4.471 4.156 0.315 1
1 1100 . 18 1 1 A 93 93 SER CB C 93 64.582 62.857 1.725 1
1 1103 . 18 1 1 A 93 93 SER C C 93 173.576 175.897 -2.321 1
1 1104 . 18 1 1 A 94 94 ALA N N 94 123.381 121.388 1.993 1
1 1105 . 18 1 1 A 94 94 ALA H H 94 7.903 7.985 -0.082 1
1 1106 . 18 1 1 A 94 94 ALA CA C 94 52.760 53.235 -0.475 1
1 1107 . 18 1 1 A 94 94 ALA HA H 94 4.267 4.101 0.166 1
1 1108 . 18 1 1 A 94 94 ALA CB C 94 18.364 19.476 -1.112 1
1 1112 . 18 1 1 A 94 94 ALA C C 94 177.611 177.894 -0.283 1
1 1113 . 18 1 1 A 95 95 GLN N N 95 120.874 125.108 -4.234 1
1 1114 . 18 1 1 A 95 95 GLN H H 95 8.305 8.622 -0.317 1
1 1115 . 18 1 1 A 95 95 GLN CA C 95 56.821 58.979 -2.158 1
1 1116 . 18 1 1 A 95 95 GLN HA H 95 4.185 4.083 0.102 1
1 1117 . 18 1 1 A 95 95 GLN CB C 95 29.052 28.832 0.220 1
1 1126 . 18 1 1 A 95 95 GLN C C 95 175.975 176.132 -0.157 1
1 1127 . 18 1 1 A 96 96 GLU N N 96 120.251 117.587 2.664 1
1 1128 . 18 1 1 A 96 96 GLU H H 96 8.402 7.889 0.513 1
1 1129 . 18 1 1 A 96 96 GLU CA C 96 54.378 53.022 1.356 1
1 1130 . 18 1 1 A 96 96 GLU HA H 96 4.537 4.761 -0.224 1
1 1131 . 18 1 1 A 96 96 GLU CB C 96 30.216 31.748 -1.532 1
1 1137 . 18 1 1 A 96 96 GLU C C 96 173.618 174.094 -0.476 1
1 1138 . 18 1 1 A 97 97 PRO CA C 97 62.763 62.312 0.451 1
1 1139 . 18 1 1 A 97 97 PRO HA H 97 4.362 4.635 -0.273 1
1 1140 . 18 1 1 A 97 97 PRO CB C 97 32.356 32.636 -0.280 1
1 1149 . 18 1 1 A 97 97 PRO C C 97 174.841 175.913 -1.072 1
1 1150 . 18 1 1 A 98 98 ASP N N 98 120.272 120.683 -0.411 1
1 1151 . 18 1 1 A 98 98 ASP H H 98 8.396 8.589 -0.193 1
1 1152 . 18 1 1 A 98 98 ASP CA C 98 54.555 54.824 -0.269 1
1 1153 . 18 1 1 A 98 98 ASP HA H 98 4.409 4.691 -0.282 1
1 1154 . 18 1 1 A 98 98 ASP CB C 98 42.248 41.198 1.050 1
1 1157 . 18 1 1 A 98 98 ASP C C 98 176.253 177.902 -1.649 1
1 1158 . 18 1 1 A 99 99 LYS N N 99 126.808 122.090 4.718 1
1 1159 . 18 1 1 A 99 99 LYS H H 99 8.454 8.724 -0.270 1
1 1160 . 18 1 1 A 99 99 LYS CA C 99 60.158 58.894 1.264 1
1 1161 . 18 1 1 A 99 99 LYS HA H 99 3.705 4.054 -0.349 1
1 1162 . 18 1 1 A 99 99 LYS CB C 99 32.832 32.094 0.738 1
1 1174 . 18 1 1 A 99 99 LYS C C 99 177.621 178.830 -1.209 1
1 1175 . 18 1 1 A 100 100 LEU N N 100 118.450 122.362 -3.912 1
1 1176 . 18 1 1 A 100 100 LEU H H 100 8.160 7.963 0.197 1
1 1177 . 18 1 1 A 100 100 LEU CA C 100 58.094 58.073 0.021 1
1 1178 . 18 1 1 A 100 100 LEU HA H 100 4.020 4.032 -0.012 1
1 1179 . 18 1 1 A 100 100 LEU CB C 100 40.800 41.905 -1.105 1
1 1192 . 18 1 1 A 100 100 LEU C C 100 179.776 178.427 1.349 1
1 1193 . 18 1 1 A 101 101 SER N N 101 115.644 114.511 1.133 1
1 1194 . 18 1 1 A 101 101 SER H H 101 8.047 8.185 -0.138 1
1 1195 . 18 1 1 A 101 101 SER CA C 101 61.765 62.084 -0.319 1
1 1196 . 18 1 1 A 101 101 SER HA H 101 4.174 4.071 0.103 1
1 1197 . 18 1 1 A 101 101 SER CB C 101 62.609 62.722 -0.113 1
1 1200 . 18 1 1 A 101 101 SER C C 101 176.476 176.380 0.096 1
1 1201 . 18 1 1 A 102 102 MET N N 102 120.653 120.096 0.557 1
1 1202 . 18 1 1 A 102 102 MET H H 102 8.027 8.219 -0.192 1
1 1203 . 18 1 1 A 102 102 MET CA C 102 56.380 58.197 -1.817 1
1 1204 . 18 1 1 A 102 102 MET HA H 102 4.508 4.141 0.367 1
1 1205 . 18 1 1 A 102 102 MET CB C 102 30.731 32.597 -1.866 1
1 1215 . 18 1 1 A 102 102 MET C C 102 178.903 178.485 0.418 1
1 1216 . 18 1 1 A 103 103 VAL N N 103 119.836 119.775 0.061 1
1 1217 . 18 1 1 A 103 103 VAL H H 103 8.556 7.722 0.834 1
1 1218 . 18 1 1 A 103 103 VAL CA C 103 67.049 66.698 0.351 1
1 1219 . 18 1 1 A 103 103 VAL HA H 103 3.370 3.505 -0.135 1
1 1220 . 18 1 1 A 103 103 VAL CB C 103 31.583 31.446 0.137 1
1 1230 . 18 1 1 A 103 103 VAL C C 103 179.225 177.631 1.594 1
1 1231 . 18 1 1 A 104 104 MET N N 104 120.390 119.159 1.231 1
1 1232 . 18 1 1 A 104 104 MET H H 104 8.112 8.422 -0.310 1
1 1233 . 18 1 1 A 104 104 MET CA C 104 58.991 58.201 0.790 1
1 1234 . 18 1 1 A 104 104 MET HA H 104 4.047 4.260 -0.213 1
1 1235 . 18 1 1 A 104 104 MET CB C 104 31.979 32.026 -0.047 1
1 1245 . 18 1 1 A 104 104 MET C C 104 178.210 178.092 0.118 1
1 1246 . 18 1 1 A 105 105 TYR N N 105 120.956 121.608 -0.652 1
1 1247 . 18 1 1 A 105 105 TYR H H 105 8.185 7.692 0.493 1
1 1248 . 18 1 1 A 105 105 TYR CA C 105 61.449 61.347 0.102 1
1 1249 . 18 1 1 A 105 105 TYR HA H 105 4.317 4.107 0.210 1
1 1250 . 18 1 1 A 105 105 TYR CB C 105 40.259 38.443 1.816 1
1 1261 . 18 1 1 A 105 105 TYR C C 105 177.805 177.153 0.652 1
1 1262 . 18 1 1 A 106 106 LEU N N 106 116.468 120.832 -4.364 1
1 1263 . 18 1 1 A 106 106 LEU H H 106 9.088 8.459 0.629 1
1 1264 . 18 1 1 A 106 106 LEU CA C 106 57.744 57.946 -0.202 1
1 1265 . 18 1 1 A 106 106 LEU HA H 106 4.139 4.076 0.063 1
1 1266 . 18 1 1 A 106 106 LEU CB C 106 42.285 41.870 0.415 1
1 1279 . 18 1 1 A 106 106 LEU C C 106 180.758 178.893 1.865 1
1 1280 . 18 1 1 A 107 107 SER N N 107 114.570 112.944 1.626 1
1 1281 . 18 1 1 A 107 107 SER H H 107 8.338 8.685 -0.347 1
1 1282 . 18 1 1 A 107 107 SER CA C 107 63.030 61.568 1.462 1
1 1283 . 18 1 1 A 107 107 SER HA H 107 4.016 4.144 -0.128 1
1 1284 . 18 1 1 A 107 107 SER CB C 107 62.866 62.545 0.321 1
1 1287 . 18 1 1 A 107 107 SER C C 107 175.377 177.015 -1.638 1
1 1288 . 18 1 1 A 108 108 LYS N N 108 120.221 120.617 -0.396 1
1 1289 . 18 1 1 A 108 108 LYS H H 108 7.522 7.812 -0.290 1
1 1290 . 18 1 1 A 108 108 LYS CA C 108 58.870 58.895 -0.025 1
1 1291 . 18 1 1 A 108 108 LYS HA H 108 3.910 3.876 0.034 1
1 1292 . 18 1 1 A 108 108 LYS CB C 108 31.719 31.890 -0.171 1
1 1304 . 18 1 1 A 108 108 LYS C C 108 179.587 179.410 0.177 1
1 1305 . 18 1 1 A 109 109 PHE N N 109 118.900 119.750 -0.850 1
1 1306 . 18 1 1 A 109 109 PHE H H 109 7.282 7.583 -0.301 1
1 1307 . 18 1 1 A 109 109 PHE CA C 109 61.501 60.621 0.880 1
1 1308 . 18 1 1 A 109 109 PHE HA H 109 3.550 4.027 -0.477 1
1 1309 . 18 1 1 A 109 109 PHE CB C 109 38.201 38.635 -0.434 1
1 1322 . 18 1 1 A 109 109 PHE C C 109 176.181 177.914 -1.733 1
1 1323 . 18 1 1 A 110 110 TYR N N 110 120.089 119.536 0.553 1
1 1324 . 18 1 1 A 110 110 TYR H H 110 7.417 8.383 -0.966 1
1 1325 . 18 1 1 A 110 110 TYR CA C 110 60.263 61.738 -1.475 1
1 1326 . 18 1 1 A 110 110 TYR HA H 110 2.584 3.166 -0.582 1
1 1327 . 18 1 1 A 110 110 TYR CB C 110 38.138 38.243 -0.105 1
1 1338 . 18 1 1 A 110 110 TYR C C 110 176.298 176.801 -0.503 1
1 1339 . 18 1 1 A 111 111 GLU N N 111 115.750 118.488 -2.738 1
1 1340 . 18 1 1 A 111 111 GLU H H 111 7.899 8.255 -0.356 1
1 1341 . 18 1 1 A 111 111 GLU CA C 111 58.712 59.051 -0.339 1
1 1342 . 18 1 1 A 111 111 GLU HA H 111 3.528 3.674 -0.146 1
1 1343 . 18 1 1 A 111 111 GLU CB C 111 29.429 29.384 0.045 1
1 1349 . 18 1 1 A 111 111 GLU C C 111 178.367 178.658 -0.291 1
1 1350 . 18 1 1 A 112 112 LEU N N 112 118.646 121.920 -3.274 1
1 1351 . 18 1 1 A 112 112 LEU H H 112 6.922 7.632 -0.710 1
1 1352 . 18 1 1 A 112 112 LEU CA C 112 57.107 58.333 -1.226 1
1 1353 . 18 1 1 A 112 112 LEU HA H 112 3.775 3.814 -0.039 1
1 1354 . 18 1 1 A 112 112 LEU CB C 112 42.499 41.474 1.025 1
1 1367 . 18 1 1 A 112 112 LEU C C 112 178.820 177.909 0.911 1
1 1368 . 18 1 1 A 113 113 PHE N N 113 114.884 117.544 -2.660 1
1 1369 . 18 1 1 A 113 113 PHE H H 113 7.723 8.494 -0.771 1
1 1370 . 18 1 1 A 113 113 PHE CA C 113 57.108 60.986 -3.878 1
1 1371 . 18 1 1 A 113 113 PHE HA H 113 4.495 4.021 0.474 1
1 1372 . 18 1 1 A 113 113 PHE CB C 113 38.324 38.640 -0.316 1
1 1385 . 18 1 1 A 113 113 PHE C C 113 177.445 177.826 -0.381 1
1 1386 . 18 1 1 A 114 114 ARG N N 114 119.913 119.145 0.768 1
1 1387 . 18 1 1 A 114 114 ARG H H 114 7.840 8.028 -0.188 1
1 1388 . 18 1 1 A 114 114 ARG CA C 114 57.747 58.957 -1.210 1
1 1389 . 18 1 1 A 114 114 ARG HA H 114 4.164 3.917 0.247 1
1 1390 . 18 1 1 A 114 114 ARG CB C 114 28.994 29.954 -0.960 1
1 1399 . 18 1 1 A 114 114 ARG C C 114 177.051 176.136 0.915 1
1 1400 . 18 1 1 A 115 115 GLY N N 115 108.376 104.317 4.059 1
1 1401 . 18 1 1 A 115 115 GLY H H 115 8.070 7.513 0.557 1
1 1402 . 18 1 1 A 115 115 GLY CA C 115 45.201 45.992 -0.791 1
1 1403 . 18 1 1 A 115 115 GLY HA2 H 115 3.873 4.069 -0.196 1
1 1404 . 18 1 1 A 115 115 GLY HA3 H 115 3.988 4.070 -0.082 1
1 1405 . 18 1 1 A 115 115 GLY C C 115 173.987 171.303 2.684 1
1 1406 . 18 1 1 A 116 116 THR N N 116 116.618 115.992 0.626 1
1 1407 . 18 1 1 A 116 116 THR H H 116 7.858 8.352 -0.494 1
1 1408 . 18 1 1 A 116 116 THR CA C 116 60.032 58.188 1.844 1
1 1409 . 18 1 1 A 116 116 THR HA H 116 4.620 5.101 -0.481 1
1 1410 . 18 1 1 A 116 116 THR CB C 116 70.082 72.371 -2.289 1
1 1416 . 18 1 1 A 116 116 THR C C 116 172.615 172.027 0.588 1
1 1417 . 18 1 1 A 117 117 PRO CA C 117 63.086 62.401 0.685 1
1 1418 . 18 1 1 A 117 117 PRO HA H 117 4.451 4.540 -0.089 1
1 1419 . 18 1 1 A 117 117 PRO CB C 117 32.220 33.503 -1.283 1
1 1428 . 18 1 1 A 117 117 PRO C C 117 176.812 175.461 1.351 1
1 1429 . 18 1 1 A 118 118 LEU N N 118 122.695 121.346 1.349 1
1 1430 . 18 1 1 A 118 118 LEU H H 118 8.424 8.483 -0.059 1
1 1431 . 18 1 1 A 118 118 LEU CA C 118 55.266 53.173 2.093 1
1 1432 . 18 1 1 A 118 118 LEU HA H 118 4.276 4.838 -0.562 1
1 1433 . 18 1 1 A 118 118 LEU CB C 118 42.339 46.951 -4.612 1
1 1446 . 18 1 1 A 118 118 LEU C C 118 177.027 175.131 1.896 1
1 1447 . 18 1 1 A 119 119 ARG N N 119 122.979 120.004 2.975 1
1 1448 . 18 1 1 A 119 119 ARG H H 119 8.250 8.923 -0.673 1
1 1449 . 18 1 1 A 119 119 ARG CA C 119 53.688 53.506 0.182 1
1 1450 . 18 1 1 A 119 119 ARG HA H 119 4.644 4.998 -0.354 1
1 1451 . 18 1 1 A 119 119 ARG CB C 119 30.469 33.449 -2.980 1
1 1460 . 18 1 1 A 119 119 ARG C C 119 174.019 173.608 0.411 1
1 1461 . 18 1 1 A 120 120 PRO CA C 120 63.366 62.507 0.859 1
1 1462 . 18 1 1 A 120 120 PRO HA H 120 4.440 4.696 -0.256 1
1 1463 . 18 1 1 A 120 120 PRO CB C 120 31.958 32.573 -0.615 1
1 1472 . 18 1 1 A 120 120 PRO C C 120 176.104 176.417 -0.313 1
1 1 . 19 1 1 A 6 6 SER CA C 6 58.867 56.770 2.097 1
1 2 . 19 1 1 A 6 6 SER HA H 6 4.432 5.378 -0.946 1
1 3 . 19 1 1 A 6 6 SER CB C 6 63.603 66.191 -2.588 1
1 6 . 19 1 1 A 6 6 SER C C 6 175.018 173.110 1.908 1
1 7 . 19 1 1 A 7 7 GLY N N 7 110.530 112.081 -1.551 1
1 8 . 19 1 1 A 7 7 GLY H H 7 8.382 8.399 -0.017 1
1 9 . 19 1 1 A 7 7 GLY CA C 7 45.311 46.275 -0.964 1
1 10 . 19 1 1 A 7 7 GLY HA2 H 7 3.922 4.195 -0.273 1
1 11 . 19 1 1 A 7 7 GLY HA3 H 7 3.922 4.195 -0.273 1
1 12 . 19 1 1 A 7 7 GLY C C 7 173.740 172.050 1.690 1
1 13 . 19 1 1 A 8 8 ASP N N 8 120.471 121.529 -1.058 1
1 14 . 19 1 1 A 8 8 ASP H H 8 8.121 8.457 -0.336 1
1 15 . 19 1 1 A 8 8 ASP CA C 8 54.214 53.652 0.562 1
1 16 . 19 1 1 A 8 8 ASP HA H 8 4.560 4.671 -0.111 1
1 17 . 19 1 1 A 8 8 ASP CB C 8 41.172 41.601 -0.429 1
1 20 . 19 1 1 A 8 8 ASP C C 8 176.082 175.723 0.359 1
1 21 . 19 1 1 A 9 9 ILE N N 9 121.785 121.450 0.335 1
1 22 . 19 1 1 A 9 9 ILE H H 9 8.115 8.571 -0.456 1
1 23 . 19 1 1 A 9 9 ILE CA C 9 60.327 61.622 -1.295 1
1 24 . 19 1 1 A 9 9 ILE HA H 9 4.083 4.067 0.016 1
1 25 . 19 1 1 A 9 9 ILE CB C 9 38.394 37.071 1.323 1
1 38 . 19 1 1 A 9 9 ILE C C 9 175.579 175.486 0.093 1
1 39 . 19 1 1 A 10 10 ARG N N 10 125.977 127.876 -1.899 1
1 40 . 19 1 1 A 10 10 ARG H H 10 8.319 8.816 -0.497 1
1 41 . 19 1 1 A 10 10 ARG CA C 10 54.661 61.095 -6.434 1
1 42 . 19 1 1 A 10 10 ARG HA H 10 4.493 4.008 0.485 1
1 43 . 19 1 1 A 10 10 ARG CB C 10 29.730 29.643 0.087 1
1 52 . 19 1 1 A 10 10 ARG C C 10 175.511 176.959 -1.448 1
1 53 . 19 1 1 A 11 11 PRO CA C 11 65.595 64.201 1.394 1
1 54 . 19 1 1 A 11 11 PRO HA H 11 4.064 4.377 -0.313 1
1 55 . 19 1 1 A 11 11 PRO CB C 11 31.690 31.656 0.034 1
1 64 . 19 1 1 A 12 12 SER CA C 12 60.656 61.311 -0.655 1
1 65 . 19 1 1 A 12 12 SER HA H 12 4.194 4.262 -0.068 1
1 66 . 19 1 1 A 12 12 SER CB C 12 62.321 63.056 -0.735 1
1 69 . 19 1 1 A 13 13 LYS H H 13 7.510 7.816 -0.306 1
1 70 . 19 1 1 A 13 13 LYS CA C 13 58.585 59.446 -0.861 1
1 71 . 19 1 1 A 13 13 LYS HA H 13 4.186 4.042 0.144 1
1 72 . 19 1 1 A 13 13 LYS CB C 13 32.274 32.429 -0.155 1
1 84 . 19 1 1 A 13 13 LYS C C 13 179.028 178.692 0.336 1
1 85 . 19 1 1 A 14 14 LEU N N 14 121.315 121.841 -0.526 1
1 86 . 19 1 1 A 14 14 LEU H H 14 7.968 8.134 -0.166 1
1 87 . 19 1 1 A 14 14 LEU CA C 14 57.648 58.425 -0.777 1
1 88 . 19 1 1 A 14 14 LEU HA H 14 3.889 3.411 0.478 1
1 89 . 19 1 1 A 14 14 LEU CB C 14 42.171 41.598 0.573 1
1 102 . 19 1 1 A 14 14 LEU C C 14 178.689 178.408 0.281 1
1 103 . 19 1 1 A 15 15 LEU N N 15 120.526 119.545 0.981 1
1 104 . 19 1 1 A 15 15 LEU H H 15 8.546 8.203 0.343 1
1 105 . 19 1 1 A 15 15 LEU CA C 15 59.227 58.635 0.592 1
1 106 . 19 1 1 A 15 15 LEU HA H 15 4.038 4.083 -0.045 1
1 107 . 19 1 1 A 15 15 LEU CB C 15 40.993 41.937 -0.944 1
1 120 . 19 1 1 A 15 15 LEU C C 15 178.020 178.817 -0.797 1
1 121 . 19 1 1 A 16 16 THR N N 16 114.667 113.626 1.041 1
1 122 . 19 1 1 A 16 16 THR H H 16 7.945 7.610 0.335 1
1 123 . 19 1 1 A 16 16 THR CA C 16 66.778 66.525 0.253 1
1 124 . 19 1 1 A 16 16 THR HA H 16 4.162 3.927 0.235 1
1 125 . 19 1 1 A 16 16 THR CB C 16 68.914 68.471 0.443 1
1 131 . 19 1 1 A 16 16 THR C C 16 176.419 176.631 -0.212 1
1 132 . 19 1 1 A 17 17 TRP N N 17 122.548 121.282 1.266 1
1 133 . 19 1 1 A 17 17 TRP H H 17 8.242 8.125 0.117 1
1 134 . 19 1 1 A 17 17 TRP CA C 17 63.006 61.665 1.341 1
1 135 . 19 1 1 A 17 17 TRP HA H 17 4.442 4.247 0.195 1
1 136 . 19 1 1 A 17 17 TRP CB C 17 28.530 30.040 -1.510 1
1 151 . 19 1 1 A 17 17 TRP C C 17 178.678 177.572 1.106 1
1 152 . 19 1 1 A 18 18 CYS N N 18 117.202 117.239 -0.037 1
1 153 . 19 1 1 A 18 18 CYS H H 18 8.993 8.194 0.799 1
1 154 . 19 1 1 A 18 18 CYS CA C 18 64.830 63.403 1.427 1
1 155 . 19 1 1 A 18 18 CYS HA H 18 3.855 3.933 -0.078 1
1 156 . 19 1 1 A 18 18 CYS CB C 18 27.945 27.219 0.726 1
1 159 . 19 1 1 A 18 18 CYS C C 18 178.411 177.188 1.223 1
1 160 . 19 1 1 A 19 19 GLN N N 19 120.296 119.625 0.671 1
1 161 . 19 1 1 A 19 19 GLN H H 19 8.696 8.625 0.071 1
1 162 . 19 1 1 A 19 19 GLN CA C 19 59.705 59.173 0.532 1
1 163 . 19 1 1 A 19 19 GLN HA H 19 3.654 3.976 -0.322 1
1 164 . 19 1 1 A 19 19 GLN CB C 19 27.820 28.191 -0.371 1
1 173 . 19 1 1 A 19 19 GLN C C 19 177.957 178.669 -0.712 1
1 174 . 19 1 1 A 20 20 GLN N N 20 119.247 118.912 0.335 1
1 175 . 19 1 1 A 20 20 GLN H H 20 8.306 8.058 0.248 1
1 176 . 19 1 1 A 20 20 GLN CA C 20 58.838 58.884 -0.046 1
1 177 . 19 1 1 A 20 20 GLN HA H 20 4.016 4.001 0.015 1
1 178 . 19 1 1 A 20 20 GLN CB C 20 28.000 28.339 -0.339 1
1 187 . 19 1 1 A 20 20 GLN C C 20 179.476 178.807 0.669 1
1 188 . 19 1 1 A 21 21 GLN N N 21 113.337 118.714 -5.377 1
1 189 . 19 1 1 A 21 21 GLN H H 21 7.999 7.948 0.051 1
1 190 . 19 1 1 A 21 21 GLN CA C 21 55.909 58.841 -2.932 1
1 191 . 19 1 1 A 21 21 GLN HA H 21 4.043 3.781 0.262 1
1 192 . 19 1 1 A 21 21 GLN CB C 21 27.676 27.766 -0.090 1
1 201 . 19 1 1 A 21 21 GLN C C 21 177.394 176.966 0.428 1
1 202 . 19 1 1 A 22 22 THR N N 22 103.485 107.729 -4.244 1
1 203 . 19 1 1 A 22 22 THR H H 22 7.119 7.394 -0.275 1
1 204 . 19 1 1 A 22 22 THR CA C 22 61.272 61.275 -0.003 1
1 205 . 19 1 1 A 22 22 THR HA H 22 4.092 4.059 0.033 1
1 206 . 19 1 1 A 22 22 THR CB C 22 69.448 68.584 0.864 1
1 212 . 19 1 1 A 22 22 THR C C 22 174.644 173.792 0.852 1
1 213 . 19 1 1 A 23 23 GLU N N 23 125.366 123.566 1.800 1
1 214 . 19 1 1 A 23 23 GLU H H 23 6.949 7.717 -0.768 1
1 215 . 19 1 1 A 23 23 GLU CA C 23 58.389 56.617 1.772 1
1 216 . 19 1 1 A 23 23 GLU HA H 23 3.999 4.377 -0.378 1
1 217 . 19 1 1 A 23 23 GLU CB C 23 29.683 30.688 -1.005 1
1 223 . 19 1 1 A 23 23 GLU C C 23 177.061 177.155 -0.094 1
1 224 . 19 1 1 A 24 24 GLY N N 24 112.717 115.080 -2.363 1
1 225 . 19 1 1 A 24 24 GLY H H 24 8.732 8.916 -0.184 1
1 226 . 19 1 1 A 24 24 GLY CA C 24 45.326 45.170 0.156 1
1 227 . 19 1 1 A 24 24 GLY HA2 H 24 3.988 3.997 -0.009 1
1 228 . 19 1 1 A 24 24 GLY HA3 H 24 3.538 4.004 -0.466 1
1 229 . 19 1 1 A 24 24 GLY C C 24 174.531 174.063 0.468 1
1 230 . 19 1 1 A 25 25 TYR N N 25 120.189 119.872 0.317 1
1 231 . 19 1 1 A 25 25 TYR H H 25 7.488 8.022 -0.534 1
1 232 . 19 1 1 A 25 25 TYR CA C 25 59.028 58.364 0.664 1
1 233 . 19 1 1 A 25 25 TYR HA H 25 3.947 4.269 -0.322 1
1 234 . 19 1 1 A 25 25 TYR CB C 25 37.202 38.759 -1.557 1
1 245 . 19 1 1 A 25 25 TYR C C 25 176.354 175.623 0.731 1
1 246 . 19 1 1 A 26 26 GLN N N 26 125.301 121.098 4.203 1
1 247 . 19 1 1 A 26 26 GLN H H 26 8.877 8.234 0.643 1
1 248 . 19 1 1 A 26 26 GLN CA C 26 56.923 55.338 1.585 1
1 249 . 19 1 1 A 26 26 GLN HA H 26 3.866 4.561 -0.695 1
1 250 . 19 1 1 A 26 26 GLN CB C 26 28.808 29.709 -0.901 1
1 259 . 19 1 1 A 26 26 GLN C C 26 175.582 175.538 0.044 1
1 260 . 19 1 1 A 27 27 HIS N N 27 111.738 115.193 -3.455 1
1 261 . 19 1 1 A 27 27 HIS H H 27 8.581 8.707 -0.126 1
1 262 . 19 1 1 A 27 27 HIS CA C 27 56.937 56.931 0.006 1
1 263 . 19 1 1 A 27 27 HIS HA H 27 4.174 4.009 0.165 1
1 264 . 19 1 1 A 27 27 HIS CB C 27 26.839 26.853 -0.014 1
1 271 . 19 1 1 A 27 27 HIS C C 27 172.979 174.181 -1.202 1
1 272 . 19 1 1 A 28 28 VAL N N 28 118.229 118.812 -0.583 1
1 273 . 19 1 1 A 28 28 VAL H H 28 7.377 7.571 -0.194 1
1 274 . 19 1 1 A 28 28 VAL CA C 28 61.927 61.746 0.181 1
1 275 . 19 1 1 A 28 28 VAL HA H 28 3.922 4.220 -0.298 1
1 276 . 19 1 1 A 28 28 VAL CB C 28 33.373 32.844 0.529 1
1 286 . 19 1 1 A 28 28 VAL C C 28 174.687 173.588 1.099 1
1 287 . 19 1 1 A 29 29 ASN N N 29 125.832 127.701 -1.869 1
1 288 . 19 1 1 A 29 29 ASN H H 29 8.604 9.108 -0.504 1
1 289 . 19 1 1 A 29 29 ASN CA C 29 52.651 51.836 0.815 1
1 290 . 19 1 1 A 29 29 ASN HA H 29 4.682 5.246 -0.564 1
1 291 . 19 1 1 A 29 29 ASN CB C 29 39.124 39.967 -0.843 1
1 297 . 19 1 1 A 29 29 ASN C C 29 173.380 174.028 -0.648 1
1 298 . 19 1 1 A 30 30 VAL N N 30 125.146 127.470 -2.324 1
1 299 . 19 1 1 A 30 30 VAL H H 30 9.203 8.902 0.301 1
1 300 . 19 1 1 A 30 30 VAL CA C 30 63.838 62.099 1.739 1
1 301 . 19 1 1 A 30 30 VAL HA H 30 3.699 4.191 -0.492 1
1 302 . 19 1 1 A 30 30 VAL CB C 30 31.136 31.482 -0.346 1
1 312 . 19 1 1 A 30 30 VAL C C 30 176.046 176.315 -0.269 1
1 313 . 19 1 1 A 31 31 THR N N 31 118.952 118.415 0.537 1
1 314 . 19 1 1 A 31 31 THR H H 31 8.396 8.813 -0.417 1
1 315 . 19 1 1 A 31 31 THR CA C 31 60.985 62.273 -1.288 1
1 316 . 19 1 1 A 31 31 THR HA H 31 4.316 4.607 -0.291 1
1 317 . 19 1 1 A 31 31 THR CB C 31 70.087 69.867 0.220 1
1 323 . 19 1 1 A 31 31 THR C C 31 173.296 174.097 -0.801 1
1 324 . 19 1 1 A 32 32 ASP N N 32 120.757 120.378 0.379 1
1 325 . 19 1 1 A 32 32 ASP H H 32 8.078 8.150 -0.072 1
1 326 . 19 1 1 A 32 32 ASP CA C 32 53.069 52.866 0.203 1
1 327 . 19 1 1 A 32 32 ASP HA H 32 4.536 5.126 -0.590 1
1 328 . 19 1 1 A 32 32 ASP CB C 32 41.527 44.037 -2.510 1
1 331 . 19 1 1 A 32 32 ASP C C 32 174.931 175.281 -0.350 1
1 332 . 19 1 1 A 33 33 LEU N N 33 117.024 121.765 -4.741 1
1 333 . 19 1 1 A 33 33 LEU H H 33 8.733 8.510 0.223 1
1 334 . 19 1 1 A 33 33 LEU CA C 33 54.453 54.583 -0.130 1
1 335 . 19 1 1 A 33 33 LEU HA H 33 4.834 5.003 -0.169 1
1 336 . 19 1 1 A 33 33 LEU CB C 33 41.867 41.479 0.388 1
1 349 . 19 1 1 A 33 33 LEU C C 33 174.039 177.440 -3.401 1
1 350 . 19 1 1 A 34 34 THR N N 34 103.873 111.370 -7.497 1
1 351 . 19 1 1 A 34 34 THR H H 34 7.900 7.917 -0.017 1
1 352 . 19 1 1 A 34 34 THR CA C 34 60.434 62.083 -1.649 1
1 353 . 19 1 1 A 34 34 THR HA H 34 4.519 4.754 -0.235 1
1 354 . 19 1 1 A 34 34 THR CB C 34 70.237 70.787 -0.550 1
1 360 . 19 1 1 A 34 34 THR C C 34 175.954 176.237 -0.283 1
1 361 . 19 1 1 A 35 35 THR N N 35 118.103 113.910 4.193 1
1 362 . 19 1 1 A 35 35 THR H H 35 9.363 8.110 1.253 1
1 363 . 19 1 1 A 35 35 THR CA C 35 66.422 63.645 2.777 1
1 364 . 19 1 1 A 35 35 THR HA H 35 3.981 4.459 -0.478 1
1 365 . 19 1 1 A 35 35 THR CB C 35 68.720 69.425 -0.705 1
1 371 . 19 1 1 A 35 35 THR C C 35 177.778 176.427 1.351 1
1 372 . 19 1 1 A 36 36 SER N N 36 120.417 115.345 5.072 1
1 373 . 19 1 1 A 36 36 SER H H 36 10.544 8.442 2.102 1
1 374 . 19 1 1 A 36 36 SER CA C 36 61.076 60.804 0.272 1
1 375 . 19 1 1 A 36 36 SER HA H 36 4.395 4.183 0.212 1
1 376 . 19 1 1 A 36 36 SER CB C 36 63.485 62.952 0.533 1
1 379 . 19 1 1 A 36 36 SER C C 36 173.956 175.439 -1.483 1
1 380 . 19 1 1 A 37 37 TRP N N 37 121.387 121.412 -0.025 1
1 381 . 19 1 1 A 37 37 TRP H H 37 8.126 8.005 0.121 1
1 382 . 19 1 1 A 37 37 TRP CA C 37 57.689 56.551 1.138 1
1 383 . 19 1 1 A 37 37 TRP HA H 37 4.340 5.090 -0.750 1
1 384 . 19 1 1 A 37 37 TRP CB C 37 28.915 29.592 -0.677 1
1 399 . 19 1 1 A 37 37 TRP C C 37 176.751 176.787 -0.036 1
1 400 . 19 1 1 A 38 38 ARG N N 38 121.787 120.549 1.238 1
1 401 . 19 1 1 A 38 38 ARG H H 38 7.473 8.698 -1.225 1
1 402 . 19 1 1 A 38 38 ARG CA C 38 60.250 58.941 1.309 1
1 403 . 19 1 1 A 38 38 ARG HA H 38 4.065 4.219 -0.154 1
1 404 . 19 1 1 A 38 38 ARG CB C 38 30.807 29.975 0.832 1
1 415 . 19 1 1 A 38 38 ARG C C 38 177.636 178.333 -0.697 1
1 416 . 19 1 1 A 39 39 SER N N 39 110.340 114.136 -3.796 1
1 417 . 19 1 1 A 39 39 SER H H 39 8.665 7.724 0.941 1
1 418 . 19 1 1 A 39 39 SER CA C 39 59.336 59.153 0.183 1
1 419 . 19 1 1 A 39 39 SER HA H 39 4.349 4.457 -0.108 1
1 420 . 19 1 1 A 39 39 SER CB C 39 64.907 63.845 1.062 1
1 423 . 19 1 1 A 39 39 SER C C 39 174.768 174.697 0.071 1
1 424 . 19 1 1 A 40 40 GLY N N 40 109.467 108.752 0.715 1
1 425 . 19 1 1 A 40 40 GLY H H 40 7.549 7.878 -0.329 1
1 426 . 19 1 1 A 40 40 GLY CA C 40 46.347 45.361 0.986 1
1 427 . 19 1 1 A 40 40 GLY HA2 H 40 3.875 3.903 -0.028 1
1 428 . 19 1 1 A 40 40 GLY HA3 H 40 3.915 3.980 -0.065 1
1 429 . 19 1 1 A 40 40 GLY C C 40 173.725 175.977 -2.252 1
1 430 . 19 1 1 A 41 41 LEU N N 41 117.562 121.763 -4.201 1
1 431 . 19 1 1 A 41 41 LEU H H 41 7.287 8.166 -0.879 1
1 432 . 19 1 1 A 41 41 LEU CA C 41 57.482 58.038 -0.556 1
1 433 . 19 1 1 A 41 41 LEU HA H 41 3.882 3.735 0.147 1
1 434 . 19 1 1 A 41 41 LEU CB C 41 42.615 41.579 1.036 1
1 447 . 19 1 1 A 41 41 LEU C C 41 178.159 178.764 -0.605 1
1 448 . 19 1 1 A 42 42 ALA N N 42 121.758 121.080 0.678 1
1 449 . 19 1 1 A 42 42 ALA H H 42 8.506 8.282 0.224 1
1 450 . 19 1 1 A 42 42 ALA CA C 42 55.694 55.300 0.394 1
1 451 . 19 1 1 A 42 42 ALA HA H 42 3.582 3.819 -0.237 1
1 452 . 19 1 1 A 42 42 ALA CB C 42 17.039 18.060 -1.021 1
1 456 . 19 1 1 A 42 42 ALA C C 42 178.076 179.448 -1.372 1
1 457 . 19 1 1 A 43 43 LEU N N 43 118.332 119.529 -1.197 1
1 458 . 19 1 1 A 43 43 LEU H H 43 8.933 7.995 0.938 1
1 459 . 19 1 1 A 43 43 LEU CA C 43 57.425 58.037 -0.612 1
1 460 . 19 1 1 A 43 43 LEU HA H 43 4.308 4.335 -0.027 1
1 461 . 19 1 1 A 43 43 LEU CB C 43 42.068 41.846 0.222 1
1 474 . 19 1 1 A 43 43 LEU C C 43 179.198 178.479 0.719 1
1 475 . 19 1 1 A 44 44 CYS N N 44 115.098 117.086 -1.988 1
1 476 . 19 1 1 A 44 44 CYS H H 44 7.607 8.280 -0.673 1
1 477 . 19 1 1 A 44 44 CYS CA C 44 65.664 62.513 3.151 1
1 478 . 19 1 1 A 44 44 CYS HA H 44 4.035 4.154 -0.119 1
1 479 . 19 1 1 A 44 44 CYS CB C 44 27.516 27.018 0.498 1
1 482 . 19 1 1 A 44 44 CYS C C 44 176.222 177.265 -1.043 1
1 483 . 19 1 1 A 45 45 ALA N N 45 121.778 122.165 -0.387 1
1 484 . 19 1 1 A 45 45 ALA H H 45 8.435 8.371 0.064 1
1 485 . 19 1 1 A 45 45 ALA CA C 45 55.306 54.982 0.324 1
1 486 . 19 1 1 A 45 45 ALA HA H 45 3.184 4.172 -0.988 1
1 487 . 19 1 1 A 45 45 ALA CB C 45 17.395 17.803 -0.408 1
1 491 . 19 1 1 A 45 45 ALA C C 45 177.510 179.676 -2.166 1
1 492 . 19 1 1 A 46 46 ILE N N 46 116.463 118.201 -1.738 1
1 493 . 19 1 1 A 46 46 ILE H H 46 7.527 7.767 -0.240 1
1 494 . 19 1 1 A 46 46 ILE CA C 46 65.137 64.814 0.323 1
1 495 . 19 1 1 A 46 46 ILE HA H 46 3.267 3.585 -0.318 1
1 496 . 19 1 1 A 46 46 ILE CB C 46 37.084 37.828 -0.744 1
1 509 . 19 1 1 A 46 46 ILE C C 46 176.744 178.796 -2.052 1
1 510 . 19 1 1 A 47 47 ILE N N 47 115.676 121.050 -5.374 1
1 511 . 19 1 1 A 47 47 ILE H H 47 7.786 7.700 0.086 1
1 512 . 19 1 1 A 47 47 ILE CA C 47 66.948 64.717 2.231 1
1 513 . 19 1 1 A 47 47 ILE HA H 47 3.754 3.659 0.095 1
1 514 . 19 1 1 A 47 47 ILE CB C 47 38.335 37.855 0.480 1
1 527 . 19 1 1 A 47 47 ILE C C 47 176.853 178.393 -1.540 1
1 528 . 19 1 1 A 48 48 HIS N N 48 120.066 119.402 0.664 1
1 529 . 19 1 1 A 48 48 HIS H H 48 8.569 8.754 -0.185 1
1 530 . 19 1 1 A 48 48 HIS CA C 48 60.767 60.152 0.615 1
1 531 . 19 1 1 A 48 48 HIS HA H 48 3.918 4.382 -0.464 1
1 532 . 19 1 1 A 48 48 HIS CB C 48 31.245 29.727 1.518 1
1 539 . 19 1 1 A 48 48 HIS C C 48 175.841 176.920 -1.079 1
1 540 . 19 1 1 A 49 49 ARG N N 49 118.781 117.795 0.986 1
1 541 . 19 1 1 A 49 49 ARG H H 49 8.572 8.655 -0.083 1
1 542 . 19 1 1 A 49 49 ARG CA C 49 58.152 59.117 -0.965 1
1 543 . 19 1 1 A 49 49 ARG HA H 49 3.680 4.096 -0.416 1
1 544 . 19 1 1 A 49 49 ARG CB C 49 28.454 30.131 -1.677 1
1 555 . 19 1 1 A 49 49 ARG C C 49 177.830 179.005 -1.175 1
1 556 . 19 1 1 A 50 50 PHE N N 50 113.909 117.655 -3.746 1
1 557 . 19 1 1 A 50 50 PHE H H 50 6.900 8.189 -1.289 1
1 558 . 19 1 1 A 50 50 PHE CA C 50 59.885 60.026 -0.141 1
1 559 . 19 1 1 A 50 50 PHE HA H 50 4.281 4.288 -0.007 1
1 560 . 19 1 1 A 50 50 PHE CB C 50 41.527 39.089 2.438 1
1 573 . 19 1 1 A 50 50 PHE C C 50 176.867 176.018 0.849 1
1 574 . 19 1 1 A 51 51 ARG N N 51 120.652 118.952 1.700 1
1 575 . 19 1 1 A 51 51 ARG H H 51 9.059 8.483 0.576 1
1 576 . 19 1 1 A 51 51 ARG CA C 51 51.499 53.741 -2.242 1
1 577 . 19 1 1 A 51 51 ARG HA H 51 4.942 5.138 -0.196 1
1 578 . 19 1 1 A 51 51 ARG CB C 51 30.307 30.792 -0.485 1
1 589 . 19 1 1 A 51 51 ARG C C 51 172.670 174.604 -1.934 1
1 590 . 19 1 1 A 52 52 PRO CA C 52 64.948 64.558 0.390 1
1 591 . 19 1 1 A 52 52 PRO HA H 52 4.343 4.395 -0.052 1
1 592 . 19 1 1 A 52 52 PRO CB C 52 31.091 32.021 -0.930 1
1 601 . 19 1 1 A 52 52 PRO C C 52 177.406 178.147 -0.741 1
1 602 . 19 1 1 A 53 53 GLU N N 53 118.219 116.505 1.714 1
1 603 . 19 1 1 A 53 53 GLU H H 53 9.784 9.047 0.737 1
1 604 . 19 1 1 A 53 53 GLU CA C 53 57.285 58.955 -1.670 1
1 605 . 19 1 1 A 53 53 GLU HA H 53 4.322 4.137 0.185 1
1 606 . 19 1 1 A 53 53 GLU CB C 53 27.771 28.414 -0.643 1
1 612 . 19 1 1 A 53 53 GLU C C 53 177.957 179.028 -1.071 1
1 613 . 19 1 1 A 54 54 LEU N N 54 119.316 118.238 1.078 1
1 614 . 19 1 1 A 54 54 LEU H H 54 8.212 7.554 0.658 1
1 615 . 19 1 1 A 54 54 LEU CA C 54 55.943 56.706 -0.763 1
1 616 . 19 1 1 A 54 54 LEU HA H 54 4.337 4.219 0.118 1
1 617 . 19 1 1 A 54 54 LEU CB C 54 43.122 43.084 0.038 1
1 630 . 19 1 1 A 54 54 LEU C C 54 177.159 177.030 0.129 1
1 631 . 19 1 1 A 55 55 ILE N N 55 115.493 117.709 -2.216 1
1 632 . 19 1 1 A 55 55 ILE H H 55 6.990 7.820 -0.830 1
1 633 . 19 1 1 A 55 55 ILE CA C 55 59.645 60.154 -0.509 1
1 634 . 19 1 1 A 55 55 ILE HA H 55 4.230 4.763 -0.533 1
1 635 . 19 1 1 A 55 55 ILE CB C 55 43.159 42.065 1.094 1
1 648 . 19 1 1 A 55 55 ILE C C 55 173.302 174.323 -1.021 1
1 649 . 19 1 1 A 56 56 ASN N N 56 124.568 124.809 -0.241 1
1 650 . 19 1 1 A 56 56 ASN H H 56 8.984 8.795 0.189 1
1 651 . 19 1 1 A 56 56 ASN CA C 56 51.198 51.253 -0.055 1
1 652 . 19 1 1 A 56 56 ASN HA H 56 5.100 5.093 0.007 1
1 653 . 19 1 1 A 56 56 ASN CB C 56 36.452 38.778 -2.326 1
1 659 . 19 1 1 A 56 56 ASN C C 56 175.902 175.381 0.521 1
1 660 . 19 1 1 A 57 57 PHE N N 57 126.548 126.449 0.099 1
1 661 . 19 1 1 A 57 57 PHE H H 57 7.219 8.625 -1.406 1
1 662 . 19 1 1 A 57 57 PHE CA C 57 62.399 62.449 -0.050 1
1 663 . 19 1 1 A 57 57 PHE HA H 57 3.514 3.871 -0.357 1
1 664 . 19 1 1 A 57 57 PHE CB C 57 39.553 39.579 -0.026 1
1 677 . 19 1 1 A 57 57 PHE C C 57 176.597 176.814 -0.217 1
1 678 . 19 1 1 A 58 58 ASP N N 58 116.755 119.753 -2.998 1
1 679 . 19 1 1 A 58 58 ASP H H 58 8.691 8.321 0.370 1
1 680 . 19 1 1 A 58 58 ASP CA C 58 56.635 57.360 -0.725 1
1 681 . 19 1 1 A 58 58 ASP HA H 58 4.324 4.340 -0.016 1
1 682 . 19 1 1 A 58 58 ASP CB C 58 40.262 41.342 -1.080 1
1 685 . 19 1 1 A 58 58 ASP C C 58 176.562 178.417 -1.855 1
1 686 . 19 1 1 A 59 59 SER N N 59 112.320 113.270 -0.950 1
1 687 . 19 1 1 A 59 59 SER H H 59 7.412 7.799 -0.387 1
1 688 . 19 1 1 A 59 59 SER CA C 59 58.740 61.853 -3.113 1
1 689 . 19 1 1 A 59 59 SER HA H 59 4.365 4.326 0.039 1
1 690 . 19 1 1 A 59 59 SER CB C 59 64.598 63.092 1.506 1
1 693 . 19 1 1 A 59 59 SER C C 59 174.309 175.398 -1.089 1
1 694 . 19 1 1 A 60 60 LEU N N 60 121.693 121.877 -0.184 1
1 695 . 19 1 1 A 60 60 LEU H H 60 7.176 7.321 -0.145 1
1 696 . 19 1 1 A 60 60 LEU CA C 60 54.593 55.781 -1.188 1
1 697 . 19 1 1 A 60 60 LEU HA H 60 4.196 4.339 -0.143 1
1 698 . 19 1 1 A 60 60 LEU CB C 60 40.943 41.862 -0.919 1
1 711 . 19 1 1 A 60 60 LEU C C 60 176.774 175.960 0.814 1
1 712 . 19 1 1 A 61 61 ASN N N 61 121.648 124.723 -3.075 1
1 713 . 19 1 1 A 61 61 ASN H H 61 9.391 8.414 0.977 1
1 714 . 19 1 1 A 61 61 ASN CA C 61 51.763 51.596 0.167 1
1 715 . 19 1 1 A 61 61 ASN HA H 61 4.721 4.968 -0.247 1
1 716 . 19 1 1 A 61 61 ASN CB C 61 40.025 39.877 0.148 1
1 722 . 19 1 1 A 61 61 ASN C C 61 176.599 176.049 0.550 1
1 723 . 19 1 1 A 62 62 GLU N N 62 126.707 126.038 0.669 1
1 724 . 19 1 1 A 62 62 GLU H H 62 9.255 8.734 0.521 1
1 725 . 19 1 1 A 62 62 GLU CA C 62 58.926 59.331 -0.405 1
1 726 . 19 1 1 A 62 62 GLU HA H 62 3.688 4.010 -0.322 1
1 727 . 19 1 1 A 62 62 GLU CB C 62 29.479 29.093 0.386 1
1 733 . 19 1 1 A 62 62 GLU C C 62 176.196 177.963 -1.767 1
1 734 . 19 1 1 A 63 63 ASP N N 63 116.763 120.275 -3.512 1
1 735 . 19 1 1 A 63 63 ASP H H 63 8.317 8.266 0.051 1
1 736 . 19 1 1 A 63 63 ASP CA C 63 55.499 58.004 -2.505 1
1 737 . 19 1 1 A 63 63 ASP HA H 63 4.509 4.394 0.115 1
1 738 . 19 1 1 A 63 63 ASP CB C 63 40.697 42.279 -1.582 1
1 741 . 19 1 1 A 63 63 ASP C C 63 177.195 177.637 -0.442 1
1 742 . 19 1 1 A 64 64 ASP N N 64 123.036 117.293 5.743 1
1 743 . 19 1 1 A 64 64 ASP H H 64 7.422 8.212 -0.790 1
1 744 . 19 1 1 A 64 64 ASP CA C 64 52.760 53.673 -0.913 1
1 745 . 19 1 1 A 64 64 ASP HA H 64 4.949 4.867 0.082 1
1 746 . 19 1 1 A 64 64 ASP CB C 64 38.920 39.889 -0.969 1
1 749 . 19 1 1 A 64 64 ASP C C 64 174.979 176.146 -1.167 1
1 750 . 19 1 1 A 65 65 ALA N N 65 123.411 123.062 0.349 1
1 751 . 19 1 1 A 65 65 ALA H H 65 7.527 7.975 -0.448 1
1 752 . 19 1 1 A 65 65 ALA CA C 65 55.750 55.289 0.461 1
1 753 . 19 1 1 A 65 65 ALA HA H 65 4.295 3.915 0.380 1
1 754 . 19 1 1 A 65 65 ALA CB C 65 19.889 18.612 1.277 1
1 758 . 19 1 1 A 65 65 ALA C C 65 181.114 180.055 1.059 1
1 759 . 19 1 1 A 66 66 VAL N N 66 119.151 118.212 0.939 1
1 760 . 19 1 1 A 66 66 VAL H H 66 8.305 8.131 0.174 1
1 761 . 19 1 1 A 66 66 VAL CA C 66 67.423 67.007 0.416 1
1 762 . 19 1 1 A 66 66 VAL HA H 66 3.292 3.643 -0.351 1
1 763 . 19 1 1 A 66 66 VAL CB C 66 31.418 31.688 -0.270 1
1 773 . 19 1 1 A 66 66 VAL C C 66 177.471 177.952 -0.481 1
1 774 . 19 1 1 A 67 67 GLU N N 67 117.895 118.901 -1.006 1
1 775 . 19 1 1 A 67 67 GLU H H 67 8.256 8.322 -0.066 1
1 776 . 19 1 1 A 67 67 GLU CA C 67 59.831 59.682 0.149 1
1 777 . 19 1 1 A 67 67 GLU HA H 67 3.901 3.976 -0.075 1
1 778 . 19 1 1 A 67 67 GLU CB C 67 28.963 29.191 -0.228 1
1 784 . 19 1 1 A 67 67 GLU C C 67 179.796 179.128 0.668 1
1 785 . 19 1 1 A 68 68 ASN N N 68 119.611 118.426 1.185 1
1 786 . 19 1 1 A 68 68 ASN H H 68 9.019 8.315 0.704 1
1 787 . 19 1 1 A 68 68 ASN CA C 68 55.797 56.312 -0.515 1
1 788 . 19 1 1 A 68 68 ASN HA H 68 4.325 4.367 -0.042 1
1 789 . 19 1 1 A 68 68 ASN CB C 68 37.140 38.225 -1.085 1
1 795 . 19 1 1 A 68 68 ASN C C 68 177.193 178.117 -0.924 1
1 796 . 19 1 1 A 69 69 ASN N N 69 115.555 117.903 -2.348 1
1 797 . 19 1 1 A 69 69 ASN H H 69 7.589 8.507 -0.918 1
1 798 . 19 1 1 A 69 69 ASN CA C 69 57.155 56.234 0.921 1
1 799 . 19 1 1 A 69 69 ASN HA H 69 3.880 4.167 -0.287 1
1 800 . 19 1 1 A 69 69 ASN CB C 69 40.785 38.202 2.583 1
1 806 . 19 1 1 A 69 69 ASN C C 69 175.062 177.826 -2.764 1
1 807 . 19 1 1 A 70 70 GLN N N 70 115.794 118.499 -2.705 1
1 808 . 19 1 1 A 70 70 GLN H H 70 8.058 8.485 -0.427 1
1 809 . 19 1 1 A 70 70 GLN CA C 70 58.400 59.250 -0.850 1
1 810 . 19 1 1 A 70 70 GLN HA H 70 3.591 4.213 -0.622 1
1 811 . 19 1 1 A 70 70 GLN CB C 70 29.420 28.236 1.184 1
1 820 . 19 1 1 A 70 70 GLN C C 70 176.954 178.402 -1.448 1
1 821 . 19 1 1 A 71 71 LEU N N 71 118.631 122.075 -3.444 1
1 822 . 19 1 1 A 71 71 LEU H H 71 8.090 8.436 -0.346 1
1 823 . 19 1 1 A 71 71 LEU CA C 71 58.121 58.525 -0.404 1
1 824 . 19 1 1 A 71 71 LEU HA H 71 4.291 4.035 0.256 1
1 825 . 19 1 1 A 71 71 LEU CB C 71 42.100 41.823 0.277 1
1 838 . 19 1 1 A 71 71 LEU C C 71 177.664 178.200 -0.536 1
1 839 . 19 1 1 A 72 72 ALA N N 72 119.977 120.358 -0.381 1
1 840 . 19 1 1 A 72 72 ALA H H 72 7.274 7.962 -0.688 1
1 841 . 19 1 1 A 72 72 ALA CA C 72 55.807 55.033 0.774 1
1 842 . 19 1 1 A 72 72 ALA HA H 72 3.873 4.068 -0.195 1
1 843 . 19 1 1 A 72 72 ALA CB C 72 18.412 18.543 -0.131 1
1 847 . 19 1 1 A 72 72 ALA C C 72 179.676 180.164 -0.488 1
1 848 . 19 1 1 A 73 73 PHE N N 73 115.018 116.327 -1.309 1
1 849 . 19 1 1 A 73 73 PHE H H 73 8.722 7.991 0.731 1
1 850 . 19 1 1 A 73 73 PHE CA C 73 56.889 61.970 -5.081 1
1 851 . 19 1 1 A 73 73 PHE HA H 73 4.848 4.620 0.228 1
1 852 . 19 1 1 A 73 73 PHE CB C 73 37.404 39.013 -1.609 1
1 865 . 19 1 1 A 73 73 PHE C C 73 180.123 178.206 1.917 1
1 866 . 19 1 1 A 74 74 ASP N N 74 122.136 119.544 2.592 1
1 867 . 19 1 1 A 74 74 ASP H H 74 9.262 8.839 0.423 1
1 868 . 19 1 1 A 74 74 ASP CA C 74 57.648 57.622 0.026 1
1 869 . 19 1 1 A 74 74 ASP HA H 74 4.550 4.420 0.130 1
1 870 . 19 1 1 A 74 74 ASP CB C 74 40.073 41.387 -1.314 1
1 873 . 19 1 1 A 74 74 ASP C C 74 179.818 178.856 0.962 1
1 874 . 19 1 1 A 75 75 VAL N N 75 122.521 119.294 3.227 1
1 875 . 19 1 1 A 75 75 VAL H H 75 9.080 8.578 0.502 1
1 876 . 19 1 1 A 75 75 VAL CA C 75 66.894 66.309 0.585 1
1 877 . 19 1 1 A 75 75 VAL HA H 75 3.611 3.554 0.057 1
1 878 . 19 1 1 A 75 75 VAL CB C 75 31.943 31.649 0.294 1
1 888 . 19 1 1 A 75 75 VAL C C 75 177.813 178.581 -0.768 1
1 889 . 19 1 1 A 76 76 ALA N N 76 121.109 121.948 -0.839 1
1 890 . 19 1 1 A 76 76 ALA H H 76 8.813 8.582 0.231 1
1 891 . 19 1 1 A 76 76 ALA CA C 76 55.181 55.369 -0.188 1
1 892 . 19 1 1 A 76 76 ALA HA H 76 4.092 4.258 -0.166 1
1 893 . 19 1 1 A 76 76 ALA CB C 76 19.324 18.671 0.653 1
1 897 . 19 1 1 A 76 76 ALA C C 76 180.373 180.311 0.062 1
1 898 . 19 1 1 A 77 77 GLU N N 77 120.309 118.599 1.710 1
1 899 . 19 1 1 A 77 77 GLU H H 77 8.257 7.988 0.269 1
1 900 . 19 1 1 A 77 77 GLU CA C 77 59.818 58.734 1.084 1
1 901 . 19 1 1 A 77 77 GLU HA H 77 3.982 4.241 -0.259 1
1 902 . 19 1 1 A 77 77 GLU CB C 77 30.530 29.887 0.643 1
1 908 . 19 1 1 A 77 77 GLU C C 77 178.591 177.890 0.701 1
1 909 . 19 1 1 A 78 78 ARG N N 78 119.060 118.688 0.372 1
1 910 . 19 1 1 A 78 78 ARG H H 78 8.325 7.651 0.674 1
1 911 . 19 1 1 A 78 78 ARG CA C 78 59.232 57.114 2.118 1
1 912 . 19 1 1 A 78 78 ARG HA H 78 4.048 4.393 -0.345 1
1 913 . 19 1 1 A 78 78 ARG CB C 78 31.462 30.902 0.560 1
1 924 . 19 1 1 A 78 78 ARG C C 78 178.327 177.531 0.796 1
1 925 . 19 1 1 A 79 79 GLU N N 79 114.012 117.660 -3.648 1
1 926 . 19 1 1 A 79 79 GLU H H 79 8.878 8.574 0.304 1
1 927 . 19 1 1 A 79 79 GLU CA C 79 56.599 58.096 -1.497 1
1 928 . 19 1 1 A 79 79 GLU HA H 79 4.329 4.333 -0.004 1
1 929 . 19 1 1 A 79 79 GLU CB C 79 28.771 30.462 -1.691 1
1 935 . 19 1 1 A 79 79 GLU C C 79 178.301 178.197 0.104 1
1 936 . 19 1 1 A 80 80 PHE N N 80 113.394 117.093 -3.699 1
1 937 . 19 1 1 A 80 80 PHE H H 80 6.906 7.504 -0.598 1
1 938 . 19 1 1 A 80 80 PHE CA C 80 53.518 58.139 -4.621 1
1 939 . 19 1 1 A 80 80 PHE HA H 80 5.246 4.607 0.639 1
1 940 . 19 1 1 A 80 80 PHE CB C 80 39.910 39.475 0.435 1
1 953 . 19 1 1 A 80 80 PHE C C 80 176.487 176.123 0.364 1
1 954 . 19 1 1 A 81 81 GLY N N 81 108.698 109.248 -0.550 1
1 955 . 19 1 1 A 81 81 GLY H H 81 7.352 8.369 -1.017 1
1 956 . 19 1 1 A 81 81 GLY CA C 81 46.520 46.706 -0.186 1
1 957 . 19 1 1 A 81 81 GLY HA2 H 81 3.975 4.037 -0.062 1
1 958 . 19 1 1 A 81 81 GLY HA3 H 81 3.975 4.045 -0.070 1
1 959 . 19 1 1 A 81 81 GLY C C 81 174.711 174.620 0.091 1
1 960 . 19 1 1 A 82 82 ILE N N 82 122.486 122.159 0.327 1
1 961 . 19 1 1 A 82 82 ILE H H 82 7.507 8.328 -0.821 1
1 962 . 19 1 1 A 82 82 ILE CA C 82 58.810 58.075 0.735 1
1 963 . 19 1 1 A 82 82 ILE HA H 82 4.285 4.391 -0.106 1
1 964 . 19 1 1 A 82 82 ILE CB C 82 39.376 39.184 0.192 1
1 977 . 19 1 1 A 82 82 ILE C C 82 172.836 175.036 -2.200 1
1 978 . 19 1 1 A 83 83 PRO CA C 83 60.989 62.252 -1.263 1
1 979 . 19 1 1 A 83 83 PRO HA H 83 4.589 4.740 -0.151 1
1 980 . 19 1 1 A 83 83 PRO CB C 83 31.107 32.201 -1.094 1
1 989 . 19 1 1 A 84 84 PRO CA C 84 62.860 62.600 0.260 1
1 990 . 19 1 1 A 84 84 PRO HA H 84 4.405 4.585 -0.180 1
1 991 . 19 1 1 A 84 84 PRO CB C 84 32.638 32.103 0.535 1
1 1000 . 19 1 1 A 84 84 PRO C C 84 177.894 177.360 0.534 1
1 1001 . 19 1 1 A 85 85 VAL N N 85 114.062 116.957 -2.895 1
1 1002 . 19 1 1 A 85 85 VAL H H 85 6.621 7.877 -1.256 1
1 1003 . 19 1 1 A 85 85 VAL CA C 85 61.000 63.725 -2.725 1
1 1004 . 19 1 1 A 85 85 VAL HA H 85 4.080 3.918 0.162 1
1 1005 . 19 1 1 A 85 85 VAL CB C 85 32.725 32.033 0.692 1
1 1015 . 19 1 1 A 85 85 VAL C C 85 174.315 175.641 -1.326 1
1 1016 . 19 1 1 A 86 86 THR N N 86 114.774 114.380 0.394 1
1 1017 . 19 1 1 A 86 86 THR H H 86 6.827 7.289 -0.462 1
1 1018 . 19 1 1 A 86 86 THR CA C 86 59.336 59.440 -0.104 1
1 1019 . 19 1 1 A 86 86 THR HA H 86 4.442 4.691 -0.249 1
1 1020 . 19 1 1 A 86 86 THR CB C 86 68.016 71.597 -3.581 1
1 1026 . 19 1 1 A 86 86 THR C C 86 172.724 172.095 0.629 1
1 1027 . 19 1 1 A 87 87 THR N N 87 109.655 115.422 -5.767 1
1 1028 . 19 1 1 A 87 87 THR H H 87 8.313 8.417 -0.104 1
1 1029 . 19 1 1 A 87 87 THR CA C 87 59.870 60.192 -0.322 1
1 1030 . 19 1 1 A 87 87 THR HA H 87 5.000 4.710 0.290 1
1 1031 . 19 1 1 A 87 87 THR CB C 87 72.527 70.716 1.811 1
1 1037 . 19 1 1 A 87 87 THR C C 87 176.440 175.645 0.795 1
1 1038 . 19 1 1 A 88 88 GLY N N 88 110.531 110.520 0.011 1
1 1039 . 19 1 1 A 88 88 GLY H H 88 9.655 9.065 0.590 1
1 1040 . 19 1 1 A 88 88 GLY CA C 88 49.124 47.657 1.467 1
1 1041 . 19 1 1 A 88 88 GLY HA2 H 88 4.115 3.994 0.121 1
1 1042 . 19 1 1 A 88 88 GLY HA3 H 88 3.755 4.091 -0.336 1
1 1043 . 19 1 1 A 88 88 GLY C C 88 175.154 175.957 -0.803 1
1 1044 . 19 1 1 A 89 89 LYS N N 89 119.606 121.630 -2.024 1
1 1045 . 19 1 1 A 89 89 LYS H H 89 8.542 8.135 0.407 1
1 1046 . 19 1 1 A 89 89 LYS CA C 89 59.687 59.640 0.047 1
1 1047 . 19 1 1 A 89 89 LYS HA H 89 4.030 3.978 0.052 1
1 1048 . 19 1 1 A 89 89 LYS CB C 89 32.733 32.436 0.297 1
1 1060 . 19 1 1 A 89 89 LYS C C 89 178.921 179.024 -0.103 1
1 1061 . 19 1 1 A 90 90 GLU N N 90 118.992 119.650 -0.658 1
1 1062 . 19 1 1 A 90 90 GLU H H 90 7.610 8.012 -0.402 1
1 1063 . 19 1 1 A 90 90 GLU CA C 90 59.238 59.349 -0.111 1
1 1064 . 19 1 1 A 90 90 GLU HA H 90 4.008 4.112 -0.104 1
1 1065 . 19 1 1 A 90 90 GLU CB C 90 29.946 29.021 0.925 1
1 1071 . 19 1 1 A 90 90 GLU C C 90 179.366 178.497 0.869 1
1 1072 . 19 1 1 A 91 91 MET N N 91 120.109 119.033 1.076 1
1 1073 . 19 1 1 A 91 91 MET H H 91 8.468 8.485 -0.017 1
1 1074 . 19 1 1 A 91 91 MET CA C 91 57.606 58.642 -1.036 1
1 1075 . 19 1 1 A 91 91 MET HA H 91 4.355 4.077 0.278 1
1 1076 . 19 1 1 A 91 91 MET CB C 91 32.364 32.441 -0.077 1
1 1086 . 19 1 1 A 91 91 MET C C 91 177.168 178.177 -1.009 1
1 1087 . 19 1 1 A 92 92 ALA N N 92 115.912 121.564 -5.652 1
1 1088 . 19 1 1 A 92 92 ALA H H 92 7.876 7.956 -0.080 1
1 1089 . 19 1 1 A 92 92 ALA CA C 92 53.278 54.664 -1.386 1
1 1090 . 19 1 1 A 92 92 ALA HA H 92 4.316 4.319 -0.003 1
1 1091 . 19 1 1 A 92 92 ALA CB C 92 20.275 18.772 1.503 1
1 1095 . 19 1 1 A 92 92 ALA C C 92 178.672 179.487 -0.815 1
1 1096 . 19 1 1 A 93 93 SER N N 93 111.760 113.153 -1.393 1
1 1097 . 19 1 1 A 93 93 SER H H 93 7.431 8.177 -0.746 1
1 1098 . 19 1 1 A 93 93 SER CA C 93 58.584 61.503 -2.919 1
1 1099 . 19 1 1 A 93 93 SER HA H 93 4.471 4.130 0.341 1
1 1100 . 19 1 1 A 93 93 SER CB C 93 64.582 63.124 1.458 1
1 1103 . 19 1 1 A 93 93 SER C C 93 173.576 176.109 -2.533 1
1 1104 . 19 1 1 A 94 94 ALA N N 94 123.381 122.927 0.454 1
1 1105 . 19 1 1 A 94 94 ALA H H 94 7.903 8.038 -0.135 1
1 1106 . 19 1 1 A 94 94 ALA CA C 94 52.760 52.940 -0.180 1
1 1107 . 19 1 1 A 94 94 ALA HA H 94 4.267 4.107 0.160 1
1 1108 . 19 1 1 A 94 94 ALA CB C 94 18.364 19.383 -1.019 1
1 1112 . 19 1 1 A 94 94 ALA C C 94 177.611 177.968 -0.357 1
1 1113 . 19 1 1 A 95 95 GLN N N 95 120.874 124.874 -4.000 1
1 1114 . 19 1 1 A 95 95 GLN H H 95 8.305 8.761 -0.456 1
1 1115 . 19 1 1 A 95 95 GLN CA C 95 56.821 59.555 -2.734 1
1 1116 . 19 1 1 A 95 95 GLN HA H 95 4.185 3.959 0.226 1
1 1117 . 19 1 1 A 95 95 GLN CB C 95 29.052 29.120 -0.068 1
1 1126 . 19 1 1 A 95 95 GLN C C 95 175.975 175.455 0.520 1
1 1127 . 19 1 1 A 96 96 GLU N N 96 120.251 118.402 1.849 1
1 1128 . 19 1 1 A 96 96 GLU H H 96 8.402 7.896 0.506 1
1 1129 . 19 1 1 A 96 96 GLU CA C 96 54.378 52.834 1.544 1
1 1130 . 19 1 1 A 96 96 GLU HA H 96 4.537 4.834 -0.297 1
1 1131 . 19 1 1 A 96 96 GLU CB C 96 30.216 32.482 -2.266 1
1 1137 . 19 1 1 A 96 96 GLU C C 96 173.618 174.332 -0.714 1
1 1138 . 19 1 1 A 97 97 PRO CA C 97 62.763 62.372 0.391 1
1 1139 . 19 1 1 A 97 97 PRO HA H 97 4.362 4.601 -0.239 1
1 1140 . 19 1 1 A 97 97 PRO CB C 97 32.356 32.757 -0.401 1
1 1149 . 19 1 1 A 97 97 PRO C C 97 174.841 175.791 -0.950 1
1 1150 . 19 1 1 A 98 98 ASP N N 98 120.272 121.233 -0.961 1
1 1151 . 19 1 1 A 98 98 ASP H H 98 8.396 8.588 -0.192 1
1 1152 . 19 1 1 A 98 98 ASP CA C 98 54.555 54.461 0.094 1
1 1153 . 19 1 1 A 98 98 ASP HA H 98 4.409 4.643 -0.234 1
1 1154 . 19 1 1 A 98 98 ASP CB C 98 42.248 41.230 1.018 1
1 1157 . 19 1 1 A 98 98 ASP C C 98 176.253 177.223 -0.970 1
1 1158 . 19 1 1 A 99 99 LYS N N 99 126.808 125.679 1.129 1
1 1159 . 19 1 1 A 99 99 LYS H H 99 8.454 8.878 -0.424 1
1 1160 . 19 1 1 A 99 99 LYS CA C 99 60.158 59.906 0.252 1
1 1161 . 19 1 1 A 99 99 LYS HA H 99 3.705 3.833 -0.128 1
1 1162 . 19 1 1 A 99 99 LYS CB C 99 32.832 32.037 0.795 1
1 1174 . 19 1 1 A 99 99 LYS C C 99 177.621 177.889 -0.268 1
1 1175 . 19 1 1 A 100 100 LEU N N 100 118.450 120.065 -1.615 1
1 1176 . 19 1 1 A 100 100 LEU H H 100 8.160 8.089 0.071 1
1 1177 . 19 1 1 A 100 100 LEU CA C 100 58.094 57.903 0.191 1
1 1178 . 19 1 1 A 100 100 LEU HA H 100 4.020 3.892 0.128 1
1 1179 . 19 1 1 A 100 100 LEU CB C 100 40.800 41.820 -1.020 1
1 1192 . 19 1 1 A 100 100 LEU C C 100 179.776 178.755 1.021 1
1 1193 . 19 1 1 A 101 101 SER N N 101 115.644 113.348 2.296 1
1 1194 . 19 1 1 A 101 101 SER H H 101 8.047 8.301 -0.254 1
1 1195 . 19 1 1 A 101 101 SER CA C 101 61.765 61.619 0.146 1
1 1196 . 19 1 1 A 101 101 SER HA H 101 4.174 4.027 0.147 1
1 1197 . 19 1 1 A 101 101 SER CB C 101 62.609 63.150 -0.541 1
1 1200 . 19 1 1 A 101 101 SER C C 101 176.476 177.144 -0.668 1
1 1201 . 19 1 1 A 102 102 MET N N 102 120.653 119.284 1.369 1
1 1202 . 19 1 1 A 102 102 MET H H 102 8.027 7.952 0.075 1
1 1203 . 19 1 1 A 102 102 MET CA C 102 56.380 58.312 -1.932 1
1 1204 . 19 1 1 A 102 102 MET HA H 102 4.508 4.168 0.340 1
1 1205 . 19 1 1 A 102 102 MET CB C 102 30.731 32.944 -2.213 1
1 1215 . 19 1 1 A 102 102 MET C C 102 178.903 178.509 0.394 1
1 1216 . 19 1 1 A 103 103 VAL N N 103 119.836 119.711 0.125 1
1 1217 . 19 1 1 A 103 103 VAL H H 103 8.556 8.434 0.122 1
1 1218 . 19 1 1 A 103 103 VAL CA C 103 67.049 66.718 0.331 1
1 1219 . 19 1 1 A 103 103 VAL HA H 103 3.370 3.521 -0.151 1
1 1220 . 19 1 1 A 103 103 VAL CB C 103 31.583 31.526 0.057 1
1 1230 . 19 1 1 A 103 103 VAL C C 103 179.225 178.236 0.989 1
1 1231 . 19 1 1 A 104 104 MET N N 104 120.390 118.762 1.628 1
1 1232 . 19 1 1 A 104 104 MET H H 104 8.112 8.683 -0.571 1
1 1233 . 19 1 1 A 104 104 MET CA C 104 58.991 58.405 0.586 1
1 1234 . 19 1 1 A 104 104 MET HA H 104 4.047 4.106 -0.059 1
1 1235 . 19 1 1 A 104 104 MET CB C 104 31.979 32.352 -0.373 1
1 1245 . 19 1 1 A 104 104 MET C C 104 178.210 177.953 0.257 1
1 1246 . 19 1 1 A 105 105 TYR N N 105 120.956 122.494 -1.538 1
1 1247 . 19 1 1 A 105 105 TYR H H 105 8.185 8.006 0.179 1
1 1248 . 19 1 1 A 105 105 TYR CA C 105 61.449 61.492 -0.043 1
1 1249 . 19 1 1 A 105 105 TYR HA H 105 4.317 4.106 0.211 1
1 1250 . 19 1 1 A 105 105 TYR CB C 105 40.259 38.392 1.867 1
1 1261 . 19 1 1 A 105 105 TYR C C 105 177.805 177.611 0.194 1
1 1262 . 19 1 1 A 106 106 LEU N N 106 116.468 121.026 -4.558 1
1 1263 . 19 1 1 A 106 106 LEU H H 106 9.088 8.886 0.202 1
1 1264 . 19 1 1 A 106 106 LEU CA C 106 57.744 58.054 -0.310 1
1 1265 . 19 1 1 A 106 106 LEU HA H 106 4.139 3.932 0.207 1
1 1266 . 19 1 1 A 106 106 LEU CB C 106 42.285 41.382 0.903 1
1 1279 . 19 1 1 A 106 106 LEU C C 106 180.758 178.879 1.879 1
1 1280 . 19 1 1 A 107 107 SER N N 107 114.570 113.269 1.301 1
1 1281 . 19 1 1 A 107 107 SER H H 107 8.338 8.118 0.220 1
1 1282 . 19 1 1 A 107 107 SER CA C 107 63.030 61.512 1.518 1
1 1283 . 19 1 1 A 107 107 SER HA H 107 4.016 4.099 -0.083 1
1 1284 . 19 1 1 A 107 107 SER CB C 107 62.866 62.916 -0.050 1
1 1287 . 19 1 1 A 107 107 SER C C 107 175.377 177.135 -1.758 1
1 1288 . 19 1 1 A 108 108 LYS N N 108 120.221 121.125 -0.904 1
1 1289 . 19 1 1 A 108 108 LYS H H 108 7.522 7.856 -0.334 1
1 1290 . 19 1 1 A 108 108 LYS CA C 108 58.870 58.804 0.066 1
1 1291 . 19 1 1 A 108 108 LYS HA H 108 3.910 3.779 0.131 1
1 1292 . 19 1 1 A 108 108 LYS CB C 108 31.719 31.689 0.030 1
1 1304 . 19 1 1 A 108 108 LYS C C 108 179.587 179.146 0.441 1
1 1305 . 19 1 1 A 109 109 PHE N N 109 118.900 119.032 -0.132 1
1 1306 . 19 1 1 A 109 109 PHE H H 109 7.282 7.874 -0.592 1
1 1307 . 19 1 1 A 109 109 PHE CA C 109 61.501 60.540 0.961 1
1 1308 . 19 1 1 A 109 109 PHE HA H 109 3.550 3.892 -0.342 1
1 1309 . 19 1 1 A 109 109 PHE CB C 109 38.201 38.884 -0.683 1
1 1322 . 19 1 1 A 109 109 PHE C C 109 176.181 177.678 -1.497 1
1 1323 . 19 1 1 A 110 110 TYR N N 110 120.089 119.379 0.710 1
1 1324 . 19 1 1 A 110 110 TYR H H 110 7.417 8.282 -0.865 1
1 1325 . 19 1 1 A 110 110 TYR CA C 110 60.263 61.539 -1.276 1
1 1326 . 19 1 1 A 110 110 TYR HA H 110 2.584 2.747 -0.163 1
1 1327 . 19 1 1 A 110 110 TYR CB C 110 38.138 38.251 -0.113 1
1 1338 . 19 1 1 A 110 110 TYR C C 110 176.298 176.907 -0.609 1
1 1339 . 19 1 1 A 111 111 GLU N N 111 115.750 118.347 -2.597 1
1 1340 . 19 1 1 A 111 111 GLU H H 111 7.899 7.837 0.062 1
1 1341 . 19 1 1 A 111 111 GLU CA C 111 58.712 58.518 0.194 1
1 1342 . 19 1 1 A 111 111 GLU HA H 111 3.528 3.403 0.125 1
1 1343 . 19 1 1 A 111 111 GLU CB C 111 29.429 29.450 -0.021 1
1 1349 . 19 1 1 A 111 111 GLU C C 111 178.367 178.328 0.039 1
1 1350 . 19 1 1 A 112 112 LEU N N 112 118.646 121.655 -3.009 1
1 1351 . 19 1 1 A 112 112 LEU H H 112 6.922 7.368 -0.446 1
1 1352 . 19 1 1 A 112 112 LEU CA C 112 57.107 57.658 -0.551 1
1 1353 . 19 1 1 A 112 112 LEU HA H 112 3.775 3.619 0.156 1
1 1354 . 19 1 1 A 112 112 LEU CB C 112 42.499 41.301 1.198 1
1 1367 . 19 1 1 A 112 112 LEU C C 112 178.820 178.253 0.567 1
1 1368 . 19 1 1 A 113 113 PHE N N 113 114.884 116.267 -1.383 1
1 1369 . 19 1 1 A 113 113 PHE H H 113 7.723 7.335 0.388 1
1 1370 . 19 1 1 A 113 113 PHE CA C 113 57.108 59.919 -2.811 1
1 1371 . 19 1 1 A 113 113 PHE HA H 113 4.495 4.271 0.224 1
1 1372 . 19 1 1 A 113 113 PHE CB C 113 38.324 39.903 -1.579 1
1 1385 . 19 1 1 A 113 113 PHE C C 113 177.445 178.012 -0.567 1
1 1386 . 19 1 1 A 114 114 ARG N N 114 119.913 119.540 0.373 1
1 1387 . 19 1 1 A 114 114 ARG H H 114 7.840 7.911 -0.071 1
1 1388 . 19 1 1 A 114 114 ARG CA C 114 57.747 59.263 -1.516 1
1 1389 . 19 1 1 A 114 114 ARG HA H 114 4.164 4.103 0.061 1
1 1390 . 19 1 1 A 114 114 ARG CB C 114 28.994 30.375 -1.381 1
1 1399 . 19 1 1 A 114 114 ARG C C 114 177.051 176.336 0.715 1
1 1400 . 19 1 1 A 115 115 GLY N N 115 108.376 104.829 3.547 1
1 1401 . 19 1 1 A 115 115 GLY H H 115 8.070 6.848 1.222 1
1 1402 . 19 1 1 A 115 115 GLY CA C 115 45.201 45.419 -0.218 1
1 1403 . 19 1 1 A 115 115 GLY HA2 H 115 3.873 3.915 -0.042 1
1 1404 . 19 1 1 A 115 115 GLY HA3 H 115 3.988 3.932 0.056 1
1 1405 . 19 1 1 A 115 115 GLY C C 115 173.987 172.701 1.286 1
1 1406 . 19 1 1 A 116 116 THR N N 116 116.618 117.157 -0.539 1
1 1407 . 19 1 1 A 116 116 THR H H 116 7.858 8.615 -0.757 1
1 1408 . 19 1 1 A 116 116 THR CA C 116 60.032 60.340 -0.308 1
1 1409 . 19 1 1 A 116 116 THR HA H 116 4.620 4.560 0.060 1
1 1410 . 19 1 1 A 116 116 THR CB C 116 70.082 68.716 1.366 1
1 1416 . 19 1 1 A 116 116 THR C C 116 172.615 173.505 -0.890 1
1 1417 . 19 1 1 A 117 117 PRO CA C 117 63.086 62.684 0.402 1
1 1418 . 19 1 1 A 117 117 PRO HA H 117 4.451 4.591 -0.140 1
1 1419 . 19 1 1 A 117 117 PRO CB C 117 32.220 32.037 0.183 1
1 1428 . 19 1 1 A 117 117 PRO C C 117 176.812 176.785 0.027 1
1 1429 . 19 1 1 A 118 118 LEU N N 118 122.695 122.538 0.157 1
1 1430 . 19 1 1 A 118 118 LEU H H 118 8.424 8.441 -0.017 1
1 1431 . 19 1 1 A 118 118 LEU CA C 118 55.266 54.126 1.140 1
1 1432 . 19 1 1 A 118 118 LEU HA H 118 4.276 4.561 -0.285 1
1 1433 . 19 1 1 A 118 118 LEU CB C 118 42.339 42.113 0.226 1
1 1446 . 19 1 1 A 118 118 LEU C C 118 177.027 175.780 1.247 1
1 1447 . 19 1 1 A 119 119 ARG N N 119 122.979 122.197 0.782 1
1 1448 . 19 1 1 A 119 119 ARG H H 119 8.250 7.565 0.685 1
1 1449 . 19 1 1 A 119 119 ARG CA C 119 53.688 53.187 0.501 1
1 1450 . 19 1 1 A 119 119 ARG HA H 119 4.644 4.784 -0.140 1
1 1451 . 19 1 1 A 119 119 ARG CB C 119 30.469 32.287 -1.818 1
1 1460 . 19 1 1 A 119 119 ARG C C 119 174.019 174.515 -0.496 1
1 1461 . 19 1 1 A 120 120 PRO CA C 120 63.366 62.573 0.793 1
1 1462 . 19 1 1 A 120 120 PRO HA H 120 4.440 4.896 -0.456 1
1 1463 . 19 1 1 A 120 120 PRO CB C 120 31.958 32.922 -0.964 1
1 1472 . 19 1 1 A 120 120 PRO C C 120 176.104 175.406 0.698 1
1 1 . 20 1 1 A 6 6 SER CA C 6 58.867 60.395 -1.528 1
1 2 . 20 1 1 A 6 6 SER HA H 6 4.432 4.087 0.345 1
1 3 . 20 1 1 A 6 6 SER CB C 6 63.603 63.056 0.547 1
1 6 . 20 1 1 A 6 6 SER C C 6 175.018 175.134 -0.116 1
1 7 . 20 1 1 A 7 7 GLY N N 7 110.530 112.319 -1.789 1
1 8 . 20 1 1 A 7 7 GLY H H 7 8.382 8.429 -0.047 1
1 9 . 20 1 1 A 7 7 GLY CA C 7 45.311 45.750 -0.439 1
1 10 . 20 1 1 A 7 7 GLY HA2 H 7 3.922 4.001 -0.079 1
1 11 . 20 1 1 A 7 7 GLY HA3 H 7 3.922 4.003 -0.081 1
1 12 . 20 1 1 A 7 7 GLY C C 7 173.740 174.888 -1.148 1
1 13 . 20 1 1 A 8 8 ASP N N 8 120.471 115.485 4.986 1
1 14 . 20 1 1 A 8 8 ASP H H 8 8.121 8.029 0.092 1
1 15 . 20 1 1 A 8 8 ASP CA C 8 54.214 55.185 -0.971 1
1 16 . 20 1 1 A 8 8 ASP HA H 8 4.560 4.199 0.361 1
1 17 . 20 1 1 A 8 8 ASP CB C 8 41.172 39.085 2.087 1
1 20 . 20 1 1 A 8 8 ASP C C 8 176.082 175.248 0.834 1
1 21 . 20 1 1 A 9 9 ILE N N 9 121.785 119.678 2.107 1
1 22 . 20 1 1 A 9 9 ILE H H 9 8.115 7.791 0.324 1
1 23 . 20 1 1 A 9 9 ILE CA C 9 60.327 61.712 -1.385 1
1 24 . 20 1 1 A 9 9 ILE HA H 9 4.083 4.085 -0.002 1
1 25 . 20 1 1 A 9 9 ILE CB C 9 38.394 37.473 0.921 1
1 38 . 20 1 1 A 9 9 ILE C C 9 175.579 175.903 -0.324 1
1 39 . 20 1 1 A 10 10 ARG N N 10 125.977 125.649 0.328 1
1 40 . 20 1 1 A 10 10 ARG H H 10 8.319 8.889 -0.570 1
1 41 . 20 1 1 A 10 10 ARG CA C 10 54.661 61.247 -6.586 1
1 42 . 20 1 1 A 10 10 ARG HA H 10 4.493 3.976 0.517 1
1 43 . 20 1 1 A 10 10 ARG CB C 10 29.730 29.272 0.458 1
1 52 . 20 1 1 A 10 10 ARG C C 10 175.511 176.643 -1.132 1
1 53 . 20 1 1 A 11 11 PRO CA C 11 65.595 64.307 1.288 1
1 54 . 20 1 1 A 11 11 PRO HA H 11 4.064 4.368 -0.304 1
1 55 . 20 1 1 A 11 11 PRO CB C 11 31.690 32.020 -0.330 1
1 64 . 20 1 1 A 12 12 SER CA C 12 60.656 61.454 -0.798 1
1 65 . 20 1 1 A 12 12 SER HA H 12 4.194 4.198 -0.004 1
1 66 . 20 1 1 A 12 12 SER CB C 12 62.321 62.913 -0.592 1
1 69 . 20 1 1 A 13 13 LYS H H 13 7.510 7.884 -0.374 1
1 70 . 20 1 1 A 13 13 LYS CA C 13 58.585 59.493 -0.908 1
1 71 . 20 1 1 A 13 13 LYS HA H 13 4.186 4.104 0.082 1
1 72 . 20 1 1 A 13 13 LYS CB C 13 32.274 32.405 -0.131 1
1 84 . 20 1 1 A 13 13 LYS C C 13 179.028 178.657 0.371 1
1 85 . 20 1 1 A 14 14 LEU N N 14 121.315 121.826 -0.511 1
1 86 . 20 1 1 A 14 14 LEU H H 14 7.968 8.161 -0.193 1
1 87 . 20 1 1 A 14 14 LEU CA C 14 57.648 58.299 -0.651 1
1 88 . 20 1 1 A 14 14 LEU HA H 14 3.889 3.771 0.118 1
1 89 . 20 1 1 A 14 14 LEU CB C 14 42.171 41.607 0.564 1
1 102 . 20 1 1 A 14 14 LEU C C 14 178.689 178.436 0.253 1
1 103 . 20 1 1 A 15 15 LEU N N 15 120.526 119.735 0.791 1
1 104 . 20 1 1 A 15 15 LEU H H 15 8.546 8.257 0.289 1
1 105 . 20 1 1 A 15 15 LEU CA C 15 59.227 58.543 0.684 1
1 106 . 20 1 1 A 15 15 LEU HA H 15 4.038 4.145 -0.107 1
1 107 . 20 1 1 A 15 15 LEU CB C 15 40.993 41.711 -0.718 1
1 120 . 20 1 1 A 15 15 LEU C C 15 178.020 178.748 -0.728 1
1 121 . 20 1 1 A 16 16 THR N N 16 114.667 113.799 0.868 1
1 122 . 20 1 1 A 16 16 THR H H 16 7.945 7.876 0.069 1
1 123 . 20 1 1 A 16 16 THR CA C 16 66.778 66.713 0.065 1
1 124 . 20 1 1 A 16 16 THR HA H 16 4.162 3.941 0.221 1
1 125 . 20 1 1 A 16 16 THR CB C 16 68.914 68.543 0.371 1
1 131 . 20 1 1 A 16 16 THR C C 16 176.419 176.719 -0.300 1
1 132 . 20 1 1 A 17 17 TRP N N 17 122.548 121.290 1.258 1
1 133 . 20 1 1 A 17 17 TRP H H 17 8.242 8.286 -0.044 1
1 134 . 20 1 1 A 17 17 TRP CA C 17 63.006 61.527 1.479 1
1 135 . 20 1 1 A 17 17 TRP HA H 17 4.442 4.315 0.127 1
1 136 . 20 1 1 A 17 17 TRP CB C 17 28.530 29.943 -1.413 1
1 151 . 20 1 1 A 17 17 TRP C C 17 178.678 178.091 0.587 1
1 152 . 20 1 1 A 18 18 CYS N N 18 117.202 116.882 0.320 1
1 153 . 20 1 1 A 18 18 CYS H H 18 8.993 8.316 0.677 1
1 154 . 20 1 1 A 18 18 CYS CA C 18 64.830 63.604 1.226 1
1 155 . 20 1 1 A 18 18 CYS HA H 18 3.855 3.990 -0.135 1
1 156 . 20 1 1 A 18 18 CYS CB C 18 27.945 27.360 0.585 1
1 159 . 20 1 1 A 18 18 CYS C C 18 178.411 177.125 1.286 1
1 160 . 20 1 1 A 19 19 GLN N N 19 120.296 119.702 0.594 1
1 161 . 20 1 1 A 19 19 GLN H H 19 8.696 8.649 0.047 1
1 162 . 20 1 1 A 19 19 GLN CA C 19 59.705 59.276 0.429 1
1 163 . 20 1 1 A 19 19 GLN HA H 19 3.654 3.982 -0.328 1
1 164 . 20 1 1 A 19 19 GLN CB C 19 27.820 28.040 -0.220 1
1 173 . 20 1 1 A 19 19 GLN C C 19 177.957 178.785 -0.828 1
1 174 . 20 1 1 A 20 20 GLN N N 20 119.247 118.846 0.401 1
1 175 . 20 1 1 A 20 20 GLN H H 20 8.306 8.025 0.281 1
1 176 . 20 1 1 A 20 20 GLN CA C 20 58.838 59.190 -0.352 1
1 177 . 20 1 1 A 20 20 GLN HA H 20 4.016 3.911 0.105 1
1 178 . 20 1 1 A 20 20 GLN CB C 20 28.000 28.153 -0.153 1
1 187 . 20 1 1 A 20 20 GLN C C 20 179.476 178.922 0.554 1
1 188 . 20 1 1 A 21 21 GLN N N 21 113.337 118.955 -5.618 1
1 189 . 20 1 1 A 21 21 GLN H H 21 7.999 7.681 0.318 1
1 190 . 20 1 1 A 21 21 GLN CA C 21 55.909 59.007 -3.098 1
1 191 . 20 1 1 A 21 21 GLN HA H 21 4.043 3.757 0.286 1
1 192 . 20 1 1 A 21 21 GLN CB C 21 27.676 27.850 -0.174 1
1 201 . 20 1 1 A 21 21 GLN C C 21 177.394 177.460 -0.066 1
1 202 . 20 1 1 A 22 22 THR N N 22 103.485 108.894 -5.409 1
1 203 . 20 1 1 A 22 22 THR H H 22 7.119 7.478 -0.359 1
1 204 . 20 1 1 A 22 22 THR CA C 22 61.272 61.792 -0.520 1
1 205 . 20 1 1 A 22 22 THR HA H 22 4.092 4.193 -0.101 1
1 206 . 20 1 1 A 22 22 THR CB C 22 69.448 68.869 0.579 1
1 212 . 20 1 1 A 22 22 THR C C 22 174.644 174.126 0.518 1
1 213 . 20 1 1 A 23 23 GLU N N 23 125.366 123.664 1.702 1
1 214 . 20 1 1 A 23 23 GLU H H 23 6.949 7.593 -0.644 1
1 215 . 20 1 1 A 23 23 GLU CA C 23 58.389 57.661 0.728 1
1 216 . 20 1 1 A 23 23 GLU HA H 23 3.999 4.105 -0.106 1
1 217 . 20 1 1 A 23 23 GLU CB C 23 29.683 29.718 -0.035 1
1 223 . 20 1 1 A 23 23 GLU C C 23 177.061 177.466 -0.405 1
1 224 . 20 1 1 A 24 24 GLY N N 24 112.717 115.076 -2.359 1
1 225 . 20 1 1 A 24 24 GLY H H 24 8.732 8.984 -0.252 1
1 226 . 20 1 1 A 24 24 GLY CA C 24 45.326 45.029 0.297 1
1 227 . 20 1 1 A 24 24 GLY HA2 H 24 3.988 3.897 0.091 1
1 228 . 20 1 1 A 24 24 GLY HA3 H 24 3.538 3.931 -0.393 1
1 229 . 20 1 1 A 24 24 GLY C C 24 174.531 173.952 0.579 1
1 230 . 20 1 1 A 25 25 TYR N N 25 120.189 119.873 0.316 1
1 231 . 20 1 1 A 25 25 TYR H H 25 7.488 7.818 -0.330 1
1 232 . 20 1 1 A 25 25 TYR CA C 25 59.028 58.705 0.323 1
1 233 . 20 1 1 A 25 25 TYR HA H 25 3.947 4.276 -0.329 1
1 234 . 20 1 1 A 25 25 TYR CB C 25 37.202 38.905 -1.703 1
1 245 . 20 1 1 A 25 25 TYR C C 25 176.354 175.407 0.947 1
1 246 . 20 1 1 A 26 26 GLN N N 26 125.301 123.284 2.017 1
1 247 . 20 1 1 A 26 26 GLN H H 26 8.877 8.709 0.168 1
1 248 . 20 1 1 A 26 26 GLN CA C 26 56.923 56.207 0.716 1
1 249 . 20 1 1 A 26 26 GLN HA H 26 3.866 4.321 -0.455 1
1 250 . 20 1 1 A 26 26 GLN CB C 26 28.808 29.328 -0.520 1
1 259 . 20 1 1 A 26 26 GLN C C 26 175.582 176.191 -0.609 1
1 260 . 20 1 1 A 27 27 HIS N N 27 111.738 116.061 -4.323 1
1 261 . 20 1 1 A 27 27 HIS H H 27 8.581 8.443 0.138 1
1 262 . 20 1 1 A 27 27 HIS CA C 27 56.937 57.131 -0.194 1
1 263 . 20 1 1 A 27 27 HIS HA H 27 4.174 4.029 0.145 1
1 264 . 20 1 1 A 27 27 HIS CB C 27 26.839 26.991 -0.152 1
1 271 . 20 1 1 A 27 27 HIS C C 27 172.979 174.281 -1.302 1
1 272 . 20 1 1 A 28 28 VAL N N 28 118.229 119.133 -0.904 1
1 273 . 20 1 1 A 28 28 VAL H H 28 7.377 7.679 -0.302 1
1 274 . 20 1 1 A 28 28 VAL CA C 28 61.927 61.468 0.459 1
1 275 . 20 1 1 A 28 28 VAL HA H 28 3.922 4.276 -0.354 1
1 276 . 20 1 1 A 28 28 VAL CB C 28 33.373 33.051 0.322 1
1 286 . 20 1 1 A 28 28 VAL C C 28 174.687 174.261 0.426 1
1 287 . 20 1 1 A 29 29 ASN N N 29 125.832 125.305 0.527 1
1 288 . 20 1 1 A 29 29 ASN H H 29 8.604 8.867 -0.263 1
1 289 . 20 1 1 A 29 29 ASN CA C 29 52.651 51.592 1.059 1
1 290 . 20 1 1 A 29 29 ASN HA H 29 4.682 5.514 -0.832 1
1 291 . 20 1 1 A 29 29 ASN CB C 29 39.124 39.416 -0.292 1
1 297 . 20 1 1 A 29 29 ASN C C 29 173.380 173.741 -0.361 1
1 298 . 20 1 1 A 30 30 VAL N N 30 125.146 125.124 0.022 1
1 299 . 20 1 1 A 30 30 VAL H H 30 9.203 8.961 0.242 1
1 300 . 20 1 1 A 30 30 VAL CA C 30 63.838 63.445 0.393 1
1 301 . 20 1 1 A 30 30 VAL HA H 30 3.699 4.304 -0.605 1
1 302 . 20 1 1 A 30 30 VAL CB C 30 31.136 31.288 -0.152 1
1 312 . 20 1 1 A 30 30 VAL C C 30 176.046 175.947 0.099 1
1 313 . 20 1 1 A 31 31 THR N N 31 118.952 121.652 -2.700 1
1 314 . 20 1 1 A 31 31 THR H H 31 8.396 8.735 -0.339 1
1 315 . 20 1 1 A 31 31 THR CA C 31 60.985 62.993 -2.008 1
1 316 . 20 1 1 A 31 31 THR HA H 31 4.316 4.543 -0.227 1
1 317 . 20 1 1 A 31 31 THR CB C 31 70.087 72.034 -1.947 1
1 323 . 20 1 1 A 31 31 THR C C 31 173.296 173.835 -0.539 1
1 324 . 20 1 1 A 32 32 ASP N N 32 120.757 117.670 3.087 1
1 325 . 20 1 1 A 32 32 ASP H H 32 8.078 7.995 0.083 1
1 326 . 20 1 1 A 32 32 ASP CA C 32 53.069 52.529 0.540 1
1 327 . 20 1 1 A 32 32 ASP HA H 32 4.536 5.108 -0.572 1
1 328 . 20 1 1 A 32 32 ASP CB C 32 41.527 43.029 -1.502 1
1 331 . 20 1 1 A 32 32 ASP C C 32 174.931 175.488 -0.557 1
1 332 . 20 1 1 A 33 33 LEU N N 33 117.024 118.691 -1.667 1
1 333 . 20 1 1 A 33 33 LEU H H 33 8.733 8.482 0.251 1
1 334 . 20 1 1 A 33 33 LEU CA C 33 54.453 54.220 0.233 1
1 335 . 20 1 1 A 33 33 LEU HA H 33 4.834 4.949 -0.115 1
1 336 . 20 1 1 A 33 33 LEU CB C 33 41.867 42.125 -0.258 1
1 349 . 20 1 1 A 33 33 LEU C C 33 174.039 176.965 -2.926 1
1 350 . 20 1 1 A 34 34 THR N N 34 103.873 112.226 -8.353 1
1 351 . 20 1 1 A 34 34 THR H H 34 7.900 7.895 0.005 1
1 352 . 20 1 1 A 34 34 THR CA C 34 60.434 62.585 -2.151 1
1 353 . 20 1 1 A 34 34 THR HA H 34 4.519 4.612 -0.093 1
1 354 . 20 1 1 A 34 34 THR CB C 34 70.237 69.884 0.353 1
1 360 . 20 1 1 A 34 34 THR C C 34 175.954 175.607 0.347 1
1 361 . 20 1 1 A 35 35 THR N N 35 118.103 114.698 3.405 1
1 362 . 20 1 1 A 35 35 THR H H 35 9.363 8.468 0.895 1
1 363 . 20 1 1 A 35 35 THR CA C 35 66.422 64.884 1.538 1
1 364 . 20 1 1 A 35 35 THR HA H 35 3.981 4.194 -0.213 1
1 365 . 20 1 1 A 35 35 THR CB C 35 68.720 68.735 -0.015 1
1 371 . 20 1 1 A 35 35 THR C C 35 177.778 176.951 0.827 1
1 372 . 20 1 1 A 36 36 SER N N 36 120.417 116.726 3.691 1
1 373 . 20 1 1 A 36 36 SER H H 36 10.544 8.123 2.421 1
1 374 . 20 1 1 A 36 36 SER CA C 36 61.076 62.319 -1.243 1
1 375 . 20 1 1 A 36 36 SER HA H 36 4.395 4.222 0.173 1
1 376 . 20 1 1 A 36 36 SER CB C 36 63.485 63.219 0.266 1
1 379 . 20 1 1 A 36 36 SER C C 36 173.956 175.481 -1.525 1
1 380 . 20 1 1 A 37 37 TRP N N 37 121.387 118.754 2.633 1
1 381 . 20 1 1 A 37 37 TRP H H 37 8.126 8.133 -0.007 1
1 382 . 20 1 1 A 37 37 TRP CA C 37 57.689 56.403 1.286 1
1 383 . 20 1 1 A 37 37 TRP HA H 37 4.340 5.083 -0.743 1
1 384 . 20 1 1 A 37 37 TRP CB C 37 28.915 29.148 -0.233 1
1 399 . 20 1 1 A 37 37 TRP C C 37 176.751 176.695 0.056 1
1 400 . 20 1 1 A 38 38 ARG N N 38 121.787 119.483 2.304 1
1 401 . 20 1 1 A 38 38 ARG H H 38 7.473 8.333 -0.860 1
1 402 . 20 1 1 A 38 38 ARG CA C 38 60.250 58.850 1.400 1
1 403 . 20 1 1 A 38 38 ARG HA H 38 4.065 4.211 -0.146 1
1 404 . 20 1 1 A 38 38 ARG CB C 38 30.807 30.187 0.620 1
1 415 . 20 1 1 A 38 38 ARG C C 38 177.636 178.370 -0.734 1
1 416 . 20 1 1 A 39 39 SER N N 39 110.340 114.177 -3.837 1
1 417 . 20 1 1 A 39 39 SER H H 39 8.665 7.692 0.973 1
1 418 . 20 1 1 A 39 39 SER CA C 39 59.336 59.019 0.317 1
1 419 . 20 1 1 A 39 39 SER HA H 39 4.349 4.500 -0.151 1
1 420 . 20 1 1 A 39 39 SER CB C 39 64.907 63.978 0.929 1
1 423 . 20 1 1 A 39 39 SER C C 39 174.768 174.639 0.129 1
1 424 . 20 1 1 A 40 40 GLY N N 40 109.467 108.755 0.712 1
1 425 . 20 1 1 A 40 40 GLY H H 40 7.549 7.779 -0.230 1
1 426 . 20 1 1 A 40 40 GLY CA C 40 46.347 45.316 1.031 1
1 427 . 20 1 1 A 40 40 GLY HA2 H 40 3.875 3.876 -0.001 1
1 428 . 20 1 1 A 40 40 GLY HA3 H 40 3.915 3.947 -0.032 1
1 429 . 20 1 1 A 40 40 GLY C C 40 173.725 175.942 -2.217 1
1 430 . 20 1 1 A 41 41 LEU N N 41 117.562 121.729 -4.167 1
1 431 . 20 1 1 A 41 41 LEU H H 41 7.287 8.127 -0.840 1
1 432 . 20 1 1 A 41 41 LEU CA C 41 57.482 57.668 -0.186 1
1 433 . 20 1 1 A 41 41 LEU HA H 41 3.882 3.683 0.199 1
1 434 . 20 1 1 A 41 41 LEU CB C 41 42.615 41.441 1.174 1
1 447 . 20 1 1 A 41 41 LEU C C 41 178.159 178.600 -0.441 1
1 448 . 20 1 1 A 42 42 ALA N N 42 121.758 121.057 0.701 1
1 449 . 20 1 1 A 42 42 ALA H H 42 8.506 8.137 0.369 1
1 450 . 20 1 1 A 42 42 ALA CA C 42 55.694 55.020 0.674 1
1 451 . 20 1 1 A 42 42 ALA HA H 42 3.582 3.724 -0.142 1
1 452 . 20 1 1 A 42 42 ALA CB C 42 17.039 17.725 -0.686 1
1 456 . 20 1 1 A 42 42 ALA C C 42 178.076 179.388 -1.312 1
1 457 . 20 1 1 A 43 43 LEU N N 43 118.332 119.080 -0.748 1
1 458 . 20 1 1 A 43 43 LEU H H 43 8.933 7.606 1.327 1
1 459 . 20 1 1 A 43 43 LEU CA C 43 57.425 57.959 -0.534 1
1 460 . 20 1 1 A 43 43 LEU HA H 43 4.308 4.269 0.039 1
1 461 . 20 1 1 A 43 43 LEU CB C 43 42.068 41.984 0.084 1
1 474 . 20 1 1 A 43 43 LEU C C 43 179.198 178.438 0.760 1
1 475 . 20 1 1 A 44 44 CYS N N 44 115.098 116.980 -1.882 1
1 476 . 20 1 1 A 44 44 CYS H H 44 7.607 8.375 -0.768 1
1 477 . 20 1 1 A 44 44 CYS CA C 44 65.664 62.417 3.247 1
1 478 . 20 1 1 A 44 44 CYS HA H 44 4.035 4.133 -0.098 1
1 479 . 20 1 1 A 44 44 CYS CB C 44 27.516 26.951 0.565 1
1 482 . 20 1 1 A 44 44 CYS C C 44 176.222 177.277 -1.055 1
1 483 . 20 1 1 A 45 45 ALA N N 45 121.778 122.306 -0.528 1
1 484 . 20 1 1 A 45 45 ALA H H 45 8.435 8.099 0.336 1
1 485 . 20 1 1 A 45 45 ALA CA C 45 55.306 54.826 0.480 1
1 486 . 20 1 1 A 45 45 ALA HA H 45 3.184 3.974 -0.790 1
1 487 . 20 1 1 A 45 45 ALA CB C 45 17.395 17.592 -0.197 1
1 491 . 20 1 1 A 45 45 ALA C C 45 177.510 179.682 -2.172 1
1 492 . 20 1 1 A 46 46 ILE N N 46 116.463 118.085 -1.622 1
1 493 . 20 1 1 A 46 46 ILE H H 46 7.527 7.843 -0.316 1
1 494 . 20 1 1 A 46 46 ILE CA C 46 65.137 65.203 -0.066 1
1 495 . 20 1 1 A 46 46 ILE HA H 46 3.267 3.601 -0.334 1
1 496 . 20 1 1 A 46 46 ILE CB C 46 37.084 38.092 -1.008 1
1 509 . 20 1 1 A 46 46 ILE C C 46 176.744 178.355 -1.611 1
1 510 . 20 1 1 A 47 47 ILE N N 47 115.676 120.068 -4.392 1
1 511 . 20 1 1 A 47 47 ILE H H 47 7.786 7.799 -0.013 1
1 512 . 20 1 1 A 47 47 ILE CA C 47 66.948 65.291 1.657 1
1 513 . 20 1 1 A 47 47 ILE HA H 47 3.754 3.726 0.028 1
1 514 . 20 1 1 A 47 47 ILE CB C 47 38.335 37.969 0.366 1
1 527 . 20 1 1 A 47 47 ILE C C 47 176.853 178.420 -1.567 1
1 528 . 20 1 1 A 48 48 HIS N N 48 120.066 119.962 0.104 1
1 529 . 20 1 1 A 48 48 HIS H H 48 8.569 8.585 -0.016 1
1 530 . 20 1 1 A 48 48 HIS CA C 48 60.767 60.082 0.685 1
1 531 . 20 1 1 A 48 48 HIS HA H 48 3.918 4.132 -0.214 1
1 532 . 20 1 1 A 48 48 HIS CB C 48 31.245 30.036 1.209 1
1 539 . 20 1 1 A 48 48 HIS C C 48 175.841 176.970 -1.129 1
1 540 . 20 1 1 A 49 49 ARG N N 49 118.781 118.005 0.776 1
1 541 . 20 1 1 A 49 49 ARG H H 49 8.572 8.174 0.398 1
1 542 . 20 1 1 A 49 49 ARG CA C 49 58.152 59.082 -0.930 1
1 543 . 20 1 1 A 49 49 ARG HA H 49 3.680 3.811 -0.131 1
1 544 . 20 1 1 A 49 49 ARG CB C 49 28.454 29.954 -1.500 1
1 555 . 20 1 1 A 49 49 ARG C C 49 177.830 179.056 -1.226 1
1 556 . 20 1 1 A 50 50 PHE N N 50 113.909 117.891 -3.982 1
1 557 . 20 1 1 A 50 50 PHE H H 50 6.900 8.029 -1.129 1
1 558 . 20 1 1 A 50 50 PHE CA C 50 59.885 60.033 -0.148 1
1 559 . 20 1 1 A 50 50 PHE HA H 50 4.281 4.304 -0.023 1
1 560 . 20 1 1 A 50 50 PHE CB C 50 41.527 38.909 2.618 1
1 573 . 20 1 1 A 50 50 PHE C C 50 176.867 175.837 1.030 1
1 574 . 20 1 1 A 51 51 ARG N N 51 120.652 119.239 1.413 1
1 575 . 20 1 1 A 51 51 ARG H H 51 9.059 8.512 0.547 1
1 576 . 20 1 1 A 51 51 ARG CA C 51 51.499 53.835 -2.336 1
1 577 . 20 1 1 A 51 51 ARG HA H 51 4.942 4.827 0.115 1
1 578 . 20 1 1 A 51 51 ARG CB C 51 30.307 30.771 -0.464 1
1 589 . 20 1 1 A 51 51 ARG C C 51 172.670 174.646 -1.976 1
1 590 . 20 1 1 A 52 52 PRO CA C 52 64.948 64.219 0.729 1
1 591 . 20 1 1 A 52 52 PRO HA H 52 4.343 4.516 -0.173 1
1 592 . 20 1 1 A 52 52 PRO CB C 52 31.091 31.593 -0.502 1
1 601 . 20 1 1 A 52 52 PRO C C 52 177.406 178.034 -0.628 1
1 602 . 20 1 1 A 53 53 GLU N N 53 118.219 118.144 0.075 1
1 603 . 20 1 1 A 53 53 GLU H H 53 9.784 8.275 1.509 1
1 604 . 20 1 1 A 53 53 GLU CA C 53 57.285 59.545 -2.260 1
1 605 . 20 1 1 A 53 53 GLU HA H 53 4.322 4.182 0.140 1
1 606 . 20 1 1 A 53 53 GLU CB C 53 27.771 29.314 -1.543 1
1 612 . 20 1 1 A 53 53 GLU C C 53 177.957 179.127 -1.170 1
1 613 . 20 1 1 A 54 54 LEU N N 54 119.316 118.182 1.134 1
1 614 . 20 1 1 A 54 54 LEU H H 54 8.212 7.598 0.614 1
1 615 . 20 1 1 A 54 54 LEU CA C 54 55.943 56.906 -0.963 1
1 616 . 20 1 1 A 54 54 LEU HA H 54 4.337 4.250 0.087 1
1 617 . 20 1 1 A 54 54 LEU CB C 54 43.122 43.060 0.062 1
1 630 . 20 1 1 A 54 54 LEU C C 54 177.159 176.984 0.175 1
1 631 . 20 1 1 A 55 55 ILE N N 55 115.493 117.774 -2.281 1
1 632 . 20 1 1 A 55 55 ILE H H 55 6.990 7.364 -0.374 1
1 633 . 20 1 1 A 55 55 ILE CA C 55 59.645 59.682 -0.037 1
1 634 . 20 1 1 A 55 55 ILE HA H 55 4.230 4.780 -0.550 1
1 635 . 20 1 1 A 55 55 ILE CB C 55 43.159 41.885 1.274 1
1 648 . 20 1 1 A 55 55 ILE C C 55 173.302 174.970 -1.668 1
1 649 . 20 1 1 A 56 56 ASN N N 56 124.568 125.784 -1.216 1
1 650 . 20 1 1 A 56 56 ASN H H 56 8.984 8.809 0.175 1
1 651 . 20 1 1 A 56 56 ASN CA C 56 51.198 51.887 -0.689 1
1 652 . 20 1 1 A 56 56 ASN HA H 56 5.100 5.282 -0.182 1
1 653 . 20 1 1 A 56 56 ASN CB C 56 36.452 38.547 -2.095 1
1 659 . 20 1 1 A 56 56 ASN C C 56 175.902 175.594 0.308 1
1 660 . 20 1 1 A 57 57 PHE N N 57 126.548 124.787 1.761 1
1 661 . 20 1 1 A 57 57 PHE H H 57 7.219 8.634 -1.415 1
1 662 . 20 1 1 A 57 57 PHE CA C 57 62.399 62.245 0.154 1
1 663 . 20 1 1 A 57 57 PHE HA H 57 3.514 3.952 -0.438 1
1 664 . 20 1 1 A 57 57 PHE CB C 57 39.553 39.561 -0.008 1
1 677 . 20 1 1 A 57 57 PHE C C 57 176.597 176.658 -0.061 1
1 678 . 20 1 1 A 58 58 ASP N N 58 116.755 119.607 -2.852 1
1 679 . 20 1 1 A 58 58 ASP H H 58 8.691 8.404 0.287 1
1 680 . 20 1 1 A 58 58 ASP CA C 58 56.635 57.506 -0.871 1
1 681 . 20 1 1 A 58 58 ASP HA H 58 4.324 4.447 -0.123 1
1 682 . 20 1 1 A 58 58 ASP CB C 58 40.262 42.112 -1.850 1
1 685 . 20 1 1 A 58 58 ASP C C 58 176.562 178.248 -1.686 1
1 686 . 20 1 1 A 59 59 SER N N 59 112.320 112.905 -0.585 1
1 687 . 20 1 1 A 59 59 SER H H 59 7.412 8.143 -0.731 1
1 688 . 20 1 1 A 59 59 SER CA C 59 58.740 61.103 -2.363 1
1 689 . 20 1 1 A 59 59 SER HA H 59 4.365 4.282 0.083 1
1 690 . 20 1 1 A 59 59 SER CB C 59 64.598 63.193 1.405 1
1 693 . 20 1 1 A 59 59 SER C C 59 174.309 174.682 -0.373 1
1 694 . 20 1 1 A 60 60 LEU N N 60 121.693 122.565 -0.872 1
1 695 . 20 1 1 A 60 60 LEU H H 60 7.176 7.779 -0.603 1
1 696 . 20 1 1 A 60 60 LEU CA C 60 54.593 55.715 -1.122 1
1 697 . 20 1 1 A 60 60 LEU HA H 60 4.196 4.015 0.181 1
1 698 . 20 1 1 A 60 60 LEU CB C 60 40.943 41.996 -1.053 1
1 711 . 20 1 1 A 60 60 LEU C C 60 176.774 175.945 0.829 1
1 712 . 20 1 1 A 61 61 ASN N N 61 121.648 124.281 -2.633 1
1 713 . 20 1 1 A 61 61 ASN H H 61 9.391 8.466 0.925 1
1 714 . 20 1 1 A 61 61 ASN CA C 61 51.763 51.669 0.094 1
1 715 . 20 1 1 A 61 61 ASN HA H 61 4.721 4.902 -0.181 1
1 716 . 20 1 1 A 61 61 ASN CB C 61 40.025 39.791 0.234 1
1 722 . 20 1 1 A 61 61 ASN C C 61 176.599 176.043 0.556 1
1 723 . 20 1 1 A 62 62 GLU N N 62 126.707 125.941 0.766 1
1 724 . 20 1 1 A 62 62 GLU H H 62 9.255 8.771 0.484 1
1 725 . 20 1 1 A 62 62 GLU CA C 62 58.926 59.313 -0.387 1
1 726 . 20 1 1 A 62 62 GLU HA H 62 3.688 3.954 -0.266 1
1 727 . 20 1 1 A 62 62 GLU CB C 62 29.479 29.028 0.451 1
1 733 . 20 1 1 A 62 62 GLU C C 62 176.196 177.957 -1.761 1
1 734 . 20 1 1 A 63 63 ASP N N 63 116.763 120.188 -3.425 1
1 735 . 20 1 1 A 63 63 ASP H H 63 8.317 8.199 0.118 1
1 736 . 20 1 1 A 63 63 ASP CA C 63 55.499 57.778 -2.279 1
1 737 . 20 1 1 A 63 63 ASP HA H 63 4.509 4.362 0.147 1
1 738 . 20 1 1 A 63 63 ASP CB C 63 40.697 42.097 -1.400 1
1 741 . 20 1 1 A 63 63 ASP C C 63 177.195 177.540 -0.345 1
1 742 . 20 1 1 A 64 64 ASP N N 64 123.036 117.265 5.771 1
1 743 . 20 1 1 A 64 64 ASP H H 64 7.422 8.401 -0.979 1
1 744 . 20 1 1 A 64 64 ASP CA C 64 52.760 53.718 -0.958 1
1 745 . 20 1 1 A 64 64 ASP HA H 64 4.949 4.865 0.084 1
1 746 . 20 1 1 A 64 64 ASP CB C 64 38.920 40.895 -1.975 1
1 749 . 20 1 1 A 64 64 ASP C C 64 174.979 176.194 -1.215 1
1 750 . 20 1 1 A 65 65 ALA N N 65 123.411 122.473 0.938 1
1 751 . 20 1 1 A 65 65 ALA H H 65 7.527 7.876 -0.349 1
1 752 . 20 1 1 A 65 65 ALA CA C 65 55.750 55.400 0.350 1
1 753 . 20 1 1 A 65 65 ALA HA H 65 4.295 3.867 0.428 1
1 754 . 20 1 1 A 65 65 ALA CB C 65 19.889 18.541 1.348 1
1 758 . 20 1 1 A 65 65 ALA C C 65 181.114 179.774 1.340 1
1 759 . 20 1 1 A 66 66 VAL N N 66 119.151 118.613 0.538 1
1 760 . 20 1 1 A 66 66 VAL H H 66 8.305 8.175 0.130 1
1 761 . 20 1 1 A 66 66 VAL CA C 66 67.423 66.897 0.526 1
1 762 . 20 1 1 A 66 66 VAL HA H 66 3.292 3.542 -0.250 1
1 763 . 20 1 1 A 66 66 VAL CB C 66 31.418 31.532 -0.114 1
1 773 . 20 1 1 A 66 66 VAL C C 66 177.471 177.895 -0.424 1
1 774 . 20 1 1 A 67 67 GLU N N 67 117.895 118.840 -0.945 1
1 775 . 20 1 1 A 67 67 GLU H H 67 8.256 8.224 0.032 1
1 776 . 20 1 1 A 67 67 GLU CA C 67 59.831 59.754 0.077 1
1 777 . 20 1 1 A 67 67 GLU HA H 67 3.901 3.968 -0.067 1
1 778 . 20 1 1 A 67 67 GLU CB C 67 28.963 29.415 -0.452 1
1 784 . 20 1 1 A 67 67 GLU C C 67 179.796 179.277 0.519 1
1 785 . 20 1 1 A 68 68 ASN N N 68 119.611 118.184 1.427 1
1 786 . 20 1 1 A 68 68 ASN H H 68 9.019 8.508 0.511 1
1 787 . 20 1 1 A 68 68 ASN CA C 68 55.797 56.510 -0.713 1
1 788 . 20 1 1 A 68 68 ASN HA H 68 4.325 4.363 -0.038 1
1 789 . 20 1 1 A 68 68 ASN CB C 68 37.140 38.042 -0.902 1
1 795 . 20 1 1 A 68 68 ASN C C 68 177.193 178.140 -0.947 1
1 796 . 20 1 1 A 69 69 ASN N N 69 115.555 117.829 -2.274 1
1 797 . 20 1 1 A 69 69 ASN H H 69 7.589 8.408 -0.819 1
1 798 . 20 1 1 A 69 69 ASN CA C 69 57.155 56.177 0.978 1
1 799 . 20 1 1 A 69 69 ASN HA H 69 3.880 4.108 -0.228 1
1 800 . 20 1 1 A 69 69 ASN CB C 69 40.785 38.292 2.493 1
1 806 . 20 1 1 A 69 69 ASN C C 69 175.062 177.539 -2.477 1
1 807 . 20 1 1 A 70 70 GLN N N 70 115.794 119.518 -3.724 1
1 808 . 20 1 1 A 70 70 GLN H H 70 8.058 7.939 0.119 1
1 809 . 20 1 1 A 70 70 GLN CA C 70 58.400 58.802 -0.402 1
1 810 . 20 1 1 A 70 70 GLN HA H 70 3.591 4.268 -0.677 1
1 811 . 20 1 1 A 70 70 GLN CB C 70 29.420 28.528 0.892 1
1 820 . 20 1 1 A 70 70 GLN C C 70 176.954 178.177 -1.223 1
1 821 . 20 1 1 A 71 71 LEU N N 71 118.631 121.205 -2.574 1
1 822 . 20 1 1 A 71 71 LEU H H 71 8.090 8.250 -0.160 1
1 823 . 20 1 1 A 71 71 LEU CA C 71 58.121 58.459 -0.338 1
1 824 . 20 1 1 A 71 71 LEU HA H 71 4.291 4.016 0.275 1
1 825 . 20 1 1 A 71 71 LEU CB C 71 42.100 41.974 0.126 1
1 838 . 20 1 1 A 71 71 LEU C C 71 177.664 178.328 -0.664 1
1 839 . 20 1 1 A 72 72 ALA N N 72 119.977 120.034 -0.057 1
1 840 . 20 1 1 A 72 72 ALA H H 72 7.274 8.132 -0.858 1
1 841 . 20 1 1 A 72 72 ALA CA C 72 55.807 55.071 0.736 1
1 842 . 20 1 1 A 72 72 ALA HA H 72 3.873 4.068 -0.195 1
1 843 . 20 1 1 A 72 72 ALA CB C 72 18.412 18.384 0.028 1
1 847 . 20 1 1 A 72 72 ALA C C 72 179.676 179.673 0.003 1
1 848 . 20 1 1 A 73 73 PHE N N 73 115.018 115.986 -0.968 1
1 849 . 20 1 1 A 73 73 PHE H H 73 8.722 7.686 1.036 1
1 850 . 20 1 1 A 73 73 PHE CA C 73 56.889 61.513 -4.624 1
1 851 . 20 1 1 A 73 73 PHE HA H 73 4.848 4.475 0.373 1
1 852 . 20 1 1 A 73 73 PHE CB C 73 37.404 38.834 -1.430 1
1 865 . 20 1 1 A 73 73 PHE C C 73 180.123 178.388 1.735 1
1 866 . 20 1 1 A 74 74 ASP N N 74 122.136 118.579 3.557 1
1 867 . 20 1 1 A 74 74 ASP H H 74 9.262 8.801 0.461 1
1 868 . 20 1 1 A 74 74 ASP CA C 74 57.648 57.281 0.367 1
1 869 . 20 1 1 A 74 74 ASP HA H 74 4.550 4.376 0.174 1
1 870 . 20 1 1 A 74 74 ASP CB C 74 40.073 40.503 -0.430 1
1 873 . 20 1 1 A 74 74 ASP C C 74 179.818 178.939 0.879 1
1 874 . 20 1 1 A 75 75 VAL N N 75 122.521 120.261 2.260 1
1 875 . 20 1 1 A 75 75 VAL H H 75 9.080 8.676 0.404 1
1 876 . 20 1 1 A 75 75 VAL CA C 75 66.894 66.428 0.466 1
1 877 . 20 1 1 A 75 75 VAL HA H 75 3.611 3.664 -0.053 1
1 878 . 20 1 1 A 75 75 VAL CB C 75 31.943 31.688 0.255 1
1 888 . 20 1 1 A 75 75 VAL C C 75 177.813 178.545 -0.732 1
1 889 . 20 1 1 A 76 76 ALA N N 76 121.109 122.034 -0.925 1
1 890 . 20 1 1 A 76 76 ALA H H 76 8.813 8.313 0.500 1
1 891 . 20 1 1 A 76 76 ALA CA C 76 55.181 55.008 0.173 1
1 892 . 20 1 1 A 76 76 ALA HA H 76 4.092 4.430 -0.338 1
1 893 . 20 1 1 A 76 76 ALA CB C 76 19.324 18.447 0.877 1
1 897 . 20 1 1 A 76 76 ALA C C 76 180.373 179.342 1.031 1
1 898 . 20 1 1 A 77 77 GLU N N 77 120.309 118.686 1.623 1
1 899 . 20 1 1 A 77 77 GLU H H 77 8.257 8.279 -0.022 1
1 900 . 20 1 1 A 77 77 GLU CA C 77 59.818 58.254 1.564 1
1 901 . 20 1 1 A 77 77 GLU HA H 77 3.982 4.296 -0.314 1
1 902 . 20 1 1 A 77 77 GLU CB C 77 30.530 30.025 0.505 1
1 908 . 20 1 1 A 77 77 GLU C C 77 178.591 177.825 0.766 1
1 909 . 20 1 1 A 78 78 ARG N N 78 119.060 118.629 0.431 1
1 910 . 20 1 1 A 78 78 ARG H H 78 8.325 7.851 0.474 1
1 911 . 20 1 1 A 78 78 ARG CA C 78 59.232 57.044 2.188 1
1 912 . 20 1 1 A 78 78 ARG HA H 78 4.048 4.498 -0.450 1
1 913 . 20 1 1 A 78 78 ARG CB C 78 31.462 31.045 0.417 1
1 924 . 20 1 1 A 78 78 ARG C C 78 178.327 177.888 0.439 1
1 925 . 20 1 1 A 79 79 GLU N N 79 114.012 118.330 -4.318 1
1 926 . 20 1 1 A 79 79 GLU H H 79 8.878 8.690 0.188 1
1 927 . 20 1 1 A 79 79 GLU CA C 79 56.599 58.425 -1.826 1
1 928 . 20 1 1 A 79 79 GLU HA H 79 4.329 4.378 -0.049 1
1 929 . 20 1 1 A 79 79 GLU CB C 79 28.771 30.734 -1.963 1
1 935 . 20 1 1 A 79 79 GLU C C 79 178.301 178.076 0.225 1
1 936 . 20 1 1 A 80 80 PHE N N 80 113.394 115.774 -2.380 1
1 937 . 20 1 1 A 80 80 PHE H H 80 6.906 8.187 -1.281 1
1 938 . 20 1 1 A 80 80 PHE CA C 80 53.518 58.029 -4.511 1
1 939 . 20 1 1 A 80 80 PHE HA H 80 5.246 4.615 0.631 1
1 940 . 20 1 1 A 80 80 PHE CB C 80 39.910 39.600 0.310 1
1 953 . 20 1 1 A 80 80 PHE C C 80 176.487 175.937 0.550 1
1 954 . 20 1 1 A 81 81 GLY N N 81 108.698 109.287 -0.589 1
1 955 . 20 1 1 A 81 81 GLY H H 81 7.352 8.308 -0.956 1
1 956 . 20 1 1 A 81 81 GLY CA C 81 46.520 46.599 -0.079 1
1 957 . 20 1 1 A 81 81 GLY HA2 H 81 3.975 4.030 -0.055 1
1 958 . 20 1 1 A 81 81 GLY HA3 H 81 3.975 4.050 -0.075 1
1 959 . 20 1 1 A 81 81 GLY C C 81 174.711 174.535 0.176 1
1 960 . 20 1 1 A 82 82 ILE N N 82 122.486 122.100 0.386 1
1 961 . 20 1 1 A 82 82 ILE H H 82 7.507 8.291 -0.784 1
1 962 . 20 1 1 A 82 82 ILE CA C 82 58.810 58.028 0.782 1
1 963 . 20 1 1 A 82 82 ILE HA H 82 4.285 4.368 -0.083 1
1 964 . 20 1 1 A 82 82 ILE CB C 82 39.376 39.098 0.278 1
1 977 . 20 1 1 A 82 82 ILE C C 82 172.836 174.993 -2.157 1
1 978 . 20 1 1 A 83 83 PRO CA C 83 60.989 62.202 -1.213 1
1 979 . 20 1 1 A 83 83 PRO HA H 83 4.589 4.702 -0.113 1
1 980 . 20 1 1 A 83 83 PRO CB C 83 31.107 32.171 -1.064 1
1 989 . 20 1 1 A 84 84 PRO CA C 84 62.860 62.581 0.279 1
1 990 . 20 1 1 A 84 84 PRO HA H 84 4.405 4.609 -0.204 1
1 991 . 20 1 1 A 84 84 PRO CB C 84 32.638 32.116 0.522 1
1 1000 . 20 1 1 A 84 84 PRO C C 84 177.894 177.375 0.519 1
1 1001 . 20 1 1 A 85 85 VAL N N 85 114.062 116.968 -2.906 1
1 1002 . 20 1 1 A 85 85 VAL H H 85 6.621 8.029 -1.408 1
1 1003 . 20 1 1 A 85 85 VAL CA C 85 61.000 63.726 -2.726 1
1 1004 . 20 1 1 A 85 85 VAL HA H 85 4.080 3.921 0.159 1
1 1005 . 20 1 1 A 85 85 VAL CB C 85 32.725 32.093 0.632 1
1 1015 . 20 1 1 A 85 85 VAL C C 85 174.315 175.658 -1.343 1
1 1016 . 20 1 1 A 86 86 THR N N 86 114.774 114.428 0.346 1
1 1017 . 20 1 1 A 86 86 THR H H 86 6.827 7.310 -0.483 1
1 1018 . 20 1 1 A 86 86 THR CA C 86 59.336 59.571 -0.235 1
1 1019 . 20 1 1 A 86 86 THR HA H 86 4.442 4.676 -0.234 1
1 1020 . 20 1 1 A 86 86 THR CB C 86 68.016 71.706 -3.690 1
1 1026 . 20 1 1 A 86 86 THR C C 86 172.724 172.324 0.400 1
1 1027 . 20 1 1 A 87 87 THR N N 87 109.655 116.699 -7.044 1
1 1028 . 20 1 1 A 87 87 THR H H 87 8.313 8.457 -0.144 1
1 1029 . 20 1 1 A 87 87 THR CA C 87 59.870 60.087 -0.217 1
1 1030 . 20 1 1 A 87 87 THR HA H 87 5.000 4.724 0.276 1
1 1031 . 20 1 1 A 87 87 THR CB C 87 72.527 70.417 2.110 1
1 1037 . 20 1 1 A 87 87 THR C C 87 176.440 175.640 0.800 1
1 1038 . 20 1 1 A 88 88 GLY N N 88 110.531 111.037 -0.506 1
1 1039 . 20 1 1 A 88 88 GLY H H 88 9.655 9.135 0.520 1
1 1040 . 20 1 1 A 88 88 GLY CA C 88 49.124 47.614 1.510 1
1 1041 . 20 1 1 A 88 88 GLY HA2 H 88 4.115 3.962 0.153 1
1 1042 . 20 1 1 A 88 88 GLY HA3 H 88 3.755 4.039 -0.284 1
1 1043 . 20 1 1 A 88 88 GLY C C 88 175.154 175.925 -0.771 1
1 1044 . 20 1 1 A 89 89 LYS N N 89 119.606 121.630 -2.024 1
1 1045 . 20 1 1 A 89 89 LYS H H 89 8.542 8.320 0.222 1
1 1046 . 20 1 1 A 89 89 LYS CA C 89 59.687 59.437 0.250 1
1 1047 . 20 1 1 A 89 89 LYS HA H 89 4.030 3.946 0.084 1
1 1048 . 20 1 1 A 89 89 LYS CB C 89 32.733 32.578 0.155 1
1 1060 . 20 1 1 A 89 89 LYS C C 89 178.921 178.703 0.218 1
1 1061 . 20 1 1 A 90 90 GLU N N 90 118.992 118.458 0.534 1
1 1062 . 20 1 1 A 90 90 GLU H H 90 7.610 7.902 -0.292 1
1 1063 . 20 1 1 A 90 90 GLU CA C 90 59.238 59.449 -0.211 1
1 1064 . 20 1 1 A 90 90 GLU HA H 90 4.008 4.055 -0.047 1
1 1065 . 20 1 1 A 90 90 GLU CB C 90 29.946 29.033 0.913 1
1 1071 . 20 1 1 A 90 90 GLU C C 90 179.366 178.357 1.009 1
1 1072 . 20 1 1 A 91 91 MET N N 91 120.109 118.903 1.206 1
1 1073 . 20 1 1 A 91 91 MET H H 91 8.468 8.596 -0.128 1
1 1074 . 20 1 1 A 91 91 MET CA C 91 57.606 58.739 -1.133 1
1 1075 . 20 1 1 A 91 91 MET HA H 91 4.355 3.975 0.380 1
1 1076 . 20 1 1 A 91 91 MET CB C 91 32.364 32.178 0.186 1
1 1086 . 20 1 1 A 91 91 MET C C 91 177.168 178.114 -0.946 1
1 1087 . 20 1 1 A 92 92 ALA N N 92 115.912 122.176 -6.264 1
1 1088 . 20 1 1 A 92 92 ALA H H 92 7.876 8.159 -0.283 1
1 1089 . 20 1 1 A 92 92 ALA CA C 92 53.278 55.285 -2.007 1
1 1090 . 20 1 1 A 92 92 ALA HA H 92 4.316 4.051 0.265 1
1 1091 . 20 1 1 A 92 92 ALA CB C 92 20.275 17.880 2.395 1
1 1095 . 20 1 1 A 92 92 ALA C C 92 178.672 179.252 -0.580 1
1 1096 . 20 1 1 A 93 93 SER N N 93 111.760 113.472 -1.712 1
1 1097 . 20 1 1 A 93 93 SER H H 93 7.431 7.755 -0.324 1
1 1098 . 20 1 1 A 93 93 SER CA C 93 58.584 62.285 -3.701 1
1 1099 . 20 1 1 A 93 93 SER HA H 93 4.471 4.173 0.298 1
1 1100 . 20 1 1 A 93 93 SER CB C 93 64.582 62.889 1.693 1
1 1103 . 20 1 1 A 93 93 SER C C 93 173.576 175.868 -2.292 1
1 1104 . 20 1 1 A 94 94 ALA N N 94 123.381 121.403 1.978 1
1 1105 . 20 1 1 A 94 94 ALA H H 94 7.903 7.776 0.127 1
1 1106 . 20 1 1 A 94 94 ALA CA C 94 52.760 53.408 -0.648 1
1 1107 . 20 1 1 A 94 94 ALA HA H 94 4.267 4.092 0.175 1
1 1108 . 20 1 1 A 94 94 ALA CB C 94 18.364 19.466 -1.102 1
1 1112 . 20 1 1 A 94 94 ALA C C 94 177.611 177.617 -0.006 1
1 1113 . 20 1 1 A 95 95 GLN N N 95 120.874 123.829 -2.955 1
1 1114 . 20 1 1 A 95 95 GLN H H 95 8.305 8.687 -0.382 1
1 1115 . 20 1 1 A 95 95 GLN CA C 95 56.821 58.280 -1.459 1
1 1116 . 20 1 1 A 95 95 GLN HA H 95 4.185 4.162 0.023 1
1 1117 . 20 1 1 A 95 95 GLN CB C 95 29.052 29.368 -0.316 1
1 1126 . 20 1 1 A 95 95 GLN C C 95 175.975 175.781 0.194 1
1 1127 . 20 1 1 A 96 96 GLU N N 96 120.251 118.394 1.857 1
1 1128 . 20 1 1 A 96 96 GLU H H 96 8.402 7.959 0.443 1
1 1129 . 20 1 1 A 96 96 GLU CA C 96 54.378 52.956 1.422 1
1 1130 . 20 1 1 A 96 96 GLU HA H 96 4.537 4.747 -0.210 1
1 1131 . 20 1 1 A 96 96 GLU CB C 96 30.216 31.510 -1.294 1
1 1137 . 20 1 1 A 96 96 GLU C C 96 173.618 174.124 -0.506 1
1 1138 . 20 1 1 A 97 97 PRO CA C 97 62.763 62.288 0.475 1
1 1139 . 20 1 1 A 97 97 PRO HA H 97 4.362 4.632 -0.270 1
1 1140 . 20 1 1 A 97 97 PRO CB C 97 32.356 33.043 -0.687 1
1 1149 . 20 1 1 A 97 97 PRO C C 97 174.841 175.161 -0.320 1
1 1150 . 20 1 1 A 98 98 ASP N N 98 120.272 120.571 -0.299 1
1 1151 . 20 1 1 A 98 98 ASP H H 98 8.396 8.708 -0.312 1
1 1152 . 20 1 1 A 98 98 ASP CA C 98 54.555 53.748 0.807 1
1 1153 . 20 1 1 A 98 98 ASP HA H 98 4.409 4.708 -0.299 1
1 1154 . 20 1 1 A 98 98 ASP CB C 98 42.248 40.793 1.455 1
1 1157 . 20 1 1 A 98 98 ASP C C 98 176.253 176.779 -0.526 1
1 1158 . 20 1 1 A 99 99 LYS N N 99 126.808 126.899 -0.091 1
1 1159 . 20 1 1 A 99 99 LYS H H 99 8.454 8.621 -0.167 1
1 1160 . 20 1 1 A 99 99 LYS CA C 99 60.158 60.040 0.118 1
1 1161 . 20 1 1 A 99 99 LYS HA H 99 3.705 3.866 -0.161 1
1 1162 . 20 1 1 A 99 99 LYS CB C 99 32.832 32.211 0.621 1
1 1174 . 20 1 1 A 99 99 LYS C C 99 177.621 178.202 -0.581 1
1 1175 . 20 1 1 A 100 100 LEU N N 100 118.450 120.228 -1.778 1
1 1176 . 20 1 1 A 100 100 LEU H H 100 8.160 7.969 0.191 1
1 1177 . 20 1 1 A 100 100 LEU CA C 100 58.094 57.839 0.255 1
1 1178 . 20 1 1 A 100 100 LEU HA H 100 4.020 3.887 0.133 1
1 1179 . 20 1 1 A 100 100 LEU CB C 100 40.800 41.875 -1.075 1
1 1192 . 20 1 1 A 100 100 LEU C C 100 179.776 178.783 0.993 1
1 1193 . 20 1 1 A 101 101 SER N N 101 115.644 113.338 2.306 1
1 1194 . 20 1 1 A 101 101 SER H H 101 8.047 8.275 -0.228 1
1 1195 . 20 1 1 A 101 101 SER CA C 101 61.765 61.605 0.160 1
1 1196 . 20 1 1 A 101 101 SER HA H 101 4.174 4.021 0.153 1
1 1197 . 20 1 1 A 101 101 SER CB C 101 62.609 63.060 -0.451 1
1 1200 . 20 1 1 A 101 101 SER C C 101 176.476 177.098 -0.622 1
1 1201 . 20 1 1 A 102 102 MET N N 102 120.653 119.348 1.305 1
1 1202 . 20 1 1 A 102 102 MET H H 102 8.027 8.001 0.026 1
1 1203 . 20 1 1 A 102 102 MET CA C 102 56.380 58.169 -1.789 1
1 1204 . 20 1 1 A 102 102 MET HA H 102 4.508 4.131 0.377 1
1 1205 . 20 1 1 A 102 102 MET CB C 102 30.731 32.834 -2.103 1
1 1215 . 20 1 1 A 102 102 MET C C 102 178.903 178.521 0.382 1
1 1216 . 20 1 1 A 103 103 VAL N N 103 119.836 119.763 0.073 1
1 1217 . 20 1 1 A 103 103 VAL H H 103 8.556 8.195 0.361 1
1 1218 . 20 1 1 A 103 103 VAL CA C 103 67.049 66.545 0.504 1
1 1219 . 20 1 1 A 103 103 VAL HA H 103 3.370 3.502 -0.132 1
1 1220 . 20 1 1 A 103 103 VAL CB C 103 31.583 31.610 -0.027 1
1 1230 . 20 1 1 A 103 103 VAL C C 103 179.225 177.900 1.325 1
1 1231 . 20 1 1 A 104 104 MET N N 104 120.390 118.873 1.517 1
1 1232 . 20 1 1 A 104 104 MET H H 104 8.112 8.686 -0.574 1
1 1233 . 20 1 1 A 104 104 MET CA C 104 58.991 58.419 0.572 1
1 1234 . 20 1 1 A 104 104 MET HA H 104 4.047 4.077 -0.030 1
1 1235 . 20 1 1 A 104 104 MET CB C 104 31.979 32.437 -0.458 1
1 1245 . 20 1 1 A 104 104 MET C C 104 178.210 177.941 0.269 1
1 1246 . 20 1 1 A 105 105 TYR N N 105 120.956 122.129 -1.173 1
1 1247 . 20 1 1 A 105 105 TYR H H 105 8.185 8.098 0.087 1
1 1248 . 20 1 1 A 105 105 TYR CA C 105 61.449 61.504 -0.055 1
1 1249 . 20 1 1 A 105 105 TYR HA H 105 4.317 4.160 0.157 1
1 1250 . 20 1 1 A 105 105 TYR CB C 105 40.259 38.611 1.648 1
1 1261 . 20 1 1 A 105 105 TYR C C 105 177.805 177.337 0.468 1
1 1262 . 20 1 1 A 106 106 LEU N N 106 116.468 120.423 -3.955 1
1 1263 . 20 1 1 A 106 106 LEU H H 106 9.088 8.747 0.341 1
1 1264 . 20 1 1 A 106 106 LEU CA C 106 57.744 57.992 -0.248 1
1 1265 . 20 1 1 A 106 106 LEU HA H 106 4.139 3.806 0.333 1
1 1266 . 20 1 1 A 106 106 LEU CB C 106 42.285 41.658 0.627 1
1 1279 . 20 1 1 A 106 106 LEU C C 106 180.758 178.818 1.940 1
1 1280 . 20 1 1 A 107 107 SER N N 107 114.570 112.883 1.687 1
1 1281 . 20 1 1 A 107 107 SER H H 107 8.338 8.111 0.227 1
1 1282 . 20 1 1 A 107 107 SER CA C 107 63.030 61.562 1.468 1
1 1283 . 20 1 1 A 107 107 SER HA H 107 4.016 4.152 -0.136 1
1 1284 . 20 1 1 A 107 107 SER CB C 107 62.866 62.815 0.051 1
1 1287 . 20 1 1 A 107 107 SER C C 107 175.377 176.984 -1.607 1
1 1288 . 20 1 1 A 108 108 LYS N N 108 120.221 121.256 -1.035 1
1 1289 . 20 1 1 A 108 108 LYS H H 108 7.522 7.579 -0.057 1
1 1290 . 20 1 1 A 108 108 LYS CA C 108 58.870 58.801 0.069 1
1 1291 . 20 1 1 A 108 108 LYS HA H 108 3.910 3.774 0.136 1
1 1292 . 20 1 1 A 108 108 LYS CB C 108 31.719 31.805 -0.086 1
1 1304 . 20 1 1 A 108 108 LYS C C 108 179.587 178.714 0.873 1
1 1305 . 20 1 1 A 109 109 PHE N N 109 118.900 118.445 0.455 1
1 1306 . 20 1 1 A 109 109 PHE H H 109 7.282 7.596 -0.314 1
1 1307 . 20 1 1 A 109 109 PHE CA C 109 61.501 60.565 0.936 1
1 1308 . 20 1 1 A 109 109 PHE HA H 109 3.550 4.109 -0.559 1
1 1309 . 20 1 1 A 109 109 PHE CB C 109 38.201 39.242 -1.041 1
1 1322 . 20 1 1 A 109 109 PHE C C 109 176.181 177.734 -1.553 1
1 1323 . 20 1 1 A 110 110 TYR N N 110 120.089 119.718 0.371 1
1 1324 . 20 1 1 A 110 110 TYR H H 110 7.417 8.130 -0.713 1
1 1325 . 20 1 1 A 110 110 TYR CA C 110 60.263 61.709 -1.446 1
1 1326 . 20 1 1 A 110 110 TYR HA H 110 2.584 3.301 -0.717 1
1 1327 . 20 1 1 A 110 110 TYR CB C 110 38.138 38.129 0.009 1
1 1338 . 20 1 1 A 110 110 TYR C C 110 176.298 176.938 -0.640 1
1 1339 . 20 1 1 A 111 111 GLU N N 111 115.750 118.371 -2.621 1
1 1340 . 20 1 1 A 111 111 GLU H H 111 7.899 8.502 -0.603 1
1 1341 . 20 1 1 A 111 111 GLU CA C 111 58.712 59.081 -0.369 1
1 1342 . 20 1 1 A 111 111 GLU HA H 111 3.528 3.838 -0.310 1
1 1343 . 20 1 1 A 111 111 GLU CB C 111 29.429 29.376 0.053 1
1 1349 . 20 1 1 A 111 111 GLU C C 111 178.367 178.724 -0.357 1
1 1350 . 20 1 1 A 112 112 LEU N N 112 118.646 121.986 -3.340 1
1 1351 . 20 1 1 A 112 112 LEU H H 112 6.922 7.554 -0.632 1
1 1352 . 20 1 1 A 112 112 LEU CA C 112 57.107 58.410 -1.303 1
1 1353 . 20 1 1 A 112 112 LEU HA H 112 3.775 3.907 -0.132 1
1 1354 . 20 1 1 A 112 112 LEU CB C 112 42.499 41.594 0.905 1
1 1367 . 20 1 1 A 112 112 LEU C C 112 178.820 178.091 0.729 1
1 1368 . 20 1 1 A 113 113 PHE N N 113 114.884 116.548 -1.664 1
1 1369 . 20 1 1 A 113 113 PHE H H 113 7.723 8.391 -0.668 1
1 1370 . 20 1 1 A 113 113 PHE CA C 113 57.108 60.171 -3.063 1
1 1371 . 20 1 1 A 113 113 PHE HA H 113 4.495 4.376 0.119 1
1 1372 . 20 1 1 A 113 113 PHE CB C 113 38.324 38.483 -0.159 1
1 1385 . 20 1 1 A 113 113 PHE C C 113 177.445 177.108 0.337 1
1 1386 . 20 1 1 A 114 114 ARG N N 114 119.913 117.564 2.349 1
1 1387 . 20 1 1 A 114 114 ARG H H 114 7.840 8.007 -0.167 1
1 1388 . 20 1 1 A 114 114 ARG CA C 114 57.747 55.924 1.823 1
1 1389 . 20 1 1 A 114 114 ARG HA H 114 4.164 4.191 -0.027 1
1 1390 . 20 1 1 A 114 114 ARG CB C 114 28.994 29.916 -0.922 1
1 1399 . 20 1 1 A 114 114 ARG C C 114 177.051 175.675 1.376 1
1 1400 . 20 1 1 A 115 115 GLY N N 115 108.376 114.047 -5.671 1
1 1401 . 20 1 1 A 115 115 GLY H H 115 8.070 9.050 -0.980 1
1 1402 . 20 1 1 A 115 115 GLY CA C 115 45.201 46.896 -1.695 1
1 1403 . 20 1 1 A 115 115 GLY HA2 H 115 3.873 3.987 -0.114 1
1 1404 . 20 1 1 A 115 115 GLY HA3 H 115 3.988 4.019 -0.031 1
1 1405 . 20 1 1 A 115 115 GLY C C 115 173.987 172.795 1.192 1
1 1406 . 20 1 1 A 116 116 THR N N 116 116.618 117.195 -0.577 1
1 1407 . 20 1 1 A 116 116 THR H H 116 7.858 8.487 -0.629 1
1 1408 . 20 1 1 A 116 116 THR CA C 116 60.032 58.223 1.809 1
1 1409 . 20 1 1 A 116 116 THR HA H 116 4.620 4.981 -0.361 1
1 1410 . 20 1 1 A 116 116 THR CB C 116 70.082 72.432 -2.350 1
1 1416 . 20 1 1 A 116 116 THR C C 116 172.615 171.784 0.831 1
1 1417 . 20 1 1 A 117 117 PRO CA C 117 63.086 62.572 0.514 1
1 1418 . 20 1 1 A 117 117 PRO HA H 117 4.451 4.723 -0.272 1
1 1419 . 20 1 1 A 117 117 PRO CB C 117 32.220 31.784 0.436 1
1 1428 . 20 1 1 A 117 117 PRO C C 117 176.812 177.066 -0.254 1
1 1429 . 20 1 1 A 118 118 LEU N N 118 122.695 118.899 3.796 1
1 1430 . 20 1 1 A 118 118 LEU H H 118 8.424 8.253 0.171 1
1 1431 . 20 1 1 A 118 118 LEU CA C 118 55.266 53.685 1.581 1
1 1432 . 20 1 1 A 118 118 LEU HA H 118 4.276 4.436 -0.160 1
1 1433 . 20 1 1 A 118 118 LEU CB C 118 42.339 43.036 -0.697 1
1 1446 . 20 1 1 A 118 118 LEU C C 118 177.027 176.546 0.481 1
1 1447 . 20 1 1 A 119 119 ARG N N 119 122.979 119.025 3.954 1
1 1448 . 20 1 1 A 119 119 ARG H H 119 8.250 8.512 -0.262 1
1 1449 . 20 1 1 A 119 119 ARG CA C 119 53.688 53.858 -0.170 1
1 1450 . 20 1 1 A 119 119 ARG HA H 119 4.644 4.779 -0.135 1
1 1451 . 20 1 1 A 119 119 ARG CB C 119 30.469 31.388 -0.919 1
1 1460 . 20 1 1 A 119 119 ARG C C 119 174.019 174.394 -0.375 1
1 1461 . 20 1 1 A 120 120 PRO CA C 120 63.366 62.567 0.799 1
1 1462 . 20 1 1 A 120 120 PRO HA H 120 4.440 4.534 -0.094 1
1 1463 . 20 1 1 A 120 120 PRO CB C 120 31.958 32.355 -0.397 1
1 1472 . 20 1 1 A 120 120 PRO C C 120 176.104 176.838 -0.734 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 112 1.084 1
2 1 1 1 "RMS(OBS, PRED)" CA 115 1.524 1
3 1 1 1 "RMS(OBS, PRED)" CB 109 1.210 1
4 1 1 1 "RMS(OBS, PRED)" H 106 0.598 1
5 1 1 1 "RMS(OBS, PRED)" HA 121 0.302 1
6 1 1 1 "RMS(OBS, PRED)" N 105 2.734 1
7 1 2 1 "RMS(OBS, PRED)" C 112 1.061 1
8 1 2 1 "RMS(OBS, PRED)" CA 115 1.531 1
9 1 2 1 "RMS(OBS, PRED)" CB 109 1.067 1
10 1 2 1 "RMS(OBS, PRED)" H 106 0.596 1
11 1 2 1 "RMS(OBS, PRED)" HA 121 0.266 1
12 1 2 1 "RMS(OBS, PRED)" N 105 2.650 1
13 1 3 1 "RMS(OBS, PRED)" C 112 1.034 1
14 1 3 1 "RMS(OBS, PRED)" CA 115 1.535 1
15 1 3 1 "RMS(OBS, PRED)" CB 109 1.184 1
16 1 3 1 "RMS(OBS, PRED)" H 106 0.623 1
17 1 3 1 "RMS(OBS, PRED)" HA 121 0.282 1
18 1 3 1 "RMS(OBS, PRED)" N 105 2.705 1
19 1 4 1 "RMS(OBS, PRED)" C 112 1.074 1
20 1 4 1 "RMS(OBS, PRED)" CA 115 1.460 1
21 1 4 1 "RMS(OBS, PRED)" CB 109 1.054 1
22 1 4 1 "RMS(OBS, PRED)" H 106 0.583 1
23 1 4 1 "RMS(OBS, PRED)" HA 121 0.291 1
24 1 4 1 "RMS(OBS, PRED)" N 105 2.642 1
25 1 5 1 "RMS(OBS, PRED)" C 112 1.070 1
26 1 5 1 "RMS(OBS, PRED)" CA 115 1.498 1
27 1 5 1 "RMS(OBS, PRED)" CB 109 1.057 1
28 1 5 1 "RMS(OBS, PRED)" H 106 0.613 1
29 1 5 1 "RMS(OBS, PRED)" HA 121 0.289 1
30 1 5 1 "RMS(OBS, PRED)" N 105 2.704 1
31 1 6 1 "RMS(OBS, PRED)" C 112 1.064 1
32 1 6 1 "RMS(OBS, PRED)" CA 115 1.473 1
33 1 6 1 "RMS(OBS, PRED)" CB 109 1.007 1
34 1 6 1 "RMS(OBS, PRED)" H 106 0.586 1
35 1 6 1 "RMS(OBS, PRED)" HA 121 0.269 1
36 1 6 1 "RMS(OBS, PRED)" N 105 2.615 1
37 1 7 1 "RMS(OBS, PRED)" C 112 1.059 1
38 1 7 1 "RMS(OBS, PRED)" CA 115 1.424 1
39 1 7 1 "RMS(OBS, PRED)" CB 109 1.101 1
40 1 7 1 "RMS(OBS, PRED)" H 106 0.591 1
41 1 7 1 "RMS(OBS, PRED)" HA 121 0.288 1
42 1 7 1 "RMS(OBS, PRED)" N 105 2.523 1
43 1 8 1 "RMS(OBS, PRED)" C 112 1.098 1
44 1 8 1 "RMS(OBS, PRED)" CA 115 1.456 1
45 1 8 1 "RMS(OBS, PRED)" CB 109 1.119 1
46 1 8 1 "RMS(OBS, PRED)" H 106 0.569 1
47 1 8 1 "RMS(OBS, PRED)" HA 121 0.295 1
48 1 8 1 "RMS(OBS, PRED)" N 105 2.655 1
49 1 9 1 "RMS(OBS, PRED)" C 112 1.052 1
50 1 9 1 "RMS(OBS, PRED)" CA 115 1.484 1
51 1 9 1 "RMS(OBS, PRED)" CB 109 1.109 1
52 1 9 1 "RMS(OBS, PRED)" H 106 0.616 1
53 1 9 1 "RMS(OBS, PRED)" HA 121 0.289 1
54 1 9 1 "RMS(OBS, PRED)" N 105 2.599 1
55 1 10 1 "RMS(OBS, PRED)" C 112 1.076 1
56 1 10 1 "RMS(OBS, PRED)" CA 115 1.431 1
57 1 10 1 "RMS(OBS, PRED)" CB 109 1.115 1
58 1 10 1 "RMS(OBS, PRED)" H 106 0.590 1
59 1 10 1 "RMS(OBS, PRED)" HA 121 0.281 1
60 1 10 1 "RMS(OBS, PRED)" N 105 2.713 1
61 1 11 1 "RMS(OBS, PRED)" C 112 1.113 1
62 1 11 1 "RMS(OBS, PRED)" CA 115 1.497 1
63 1 11 1 "RMS(OBS, PRED)" CB 109 1.104 1
64 1 11 1 "RMS(OBS, PRED)" H 106 0.622 1
65 1 11 1 "RMS(OBS, PRED)" HA 121 0.288 1
66 1 11 1 "RMS(OBS, PRED)" N 105 2.605 1
67 1 12 1 "RMS(OBS, PRED)" C 112 1.026 1
68 1 12 1 "RMS(OBS, PRED)" CA 115 1.484 1
69 1 12 1 "RMS(OBS, PRED)" CB 109 1.032 1
70 1 12 1 "RMS(OBS, PRED)" H 106 0.586 1
71 1 12 1 "RMS(OBS, PRED)" HA 121 0.291 1
72 1 12 1 "RMS(OBS, PRED)" N 105 2.544 1
73 1 13 1 "RMS(OBS, PRED)" C 112 1.108 1
74 1 13 1 "RMS(OBS, PRED)" CA 115 1.569 1
75 1 13 1 "RMS(OBS, PRED)" CB 109 1.050 1
76 1 13 1 "RMS(OBS, PRED)" H 106 0.610 1
77 1 13 1 "RMS(OBS, PRED)" HA 121 0.293 1
78 1 13 1 "RMS(OBS, PRED)" N 105 2.709 1
79 1 14 1 "RMS(OBS, PRED)" C 112 1.030 1
80 1 14 1 "RMS(OBS, PRED)" CA 115 1.448 1
81 1 14 1 "RMS(OBS, PRED)" CB 109 1.147 1
82 1 14 1 "RMS(OBS, PRED)" H 106 0.609 1
83 1 14 1 "RMS(OBS, PRED)" HA 121 0.286 1
84 1 14 1 "RMS(OBS, PRED)" N 105 2.629 1
85 1 15 1 "RMS(OBS, PRED)" C 112 1.059 1
86 1 15 1 "RMS(OBS, PRED)" CA 115 1.511 1
87 1 15 1 "RMS(OBS, PRED)" CB 109 1.114 1
88 1 15 1 "RMS(OBS, PRED)" H 106 0.619 1
89 1 15 1 "RMS(OBS, PRED)" HA 121 0.279 1
90 1 15 1 "RMS(OBS, PRED)" N 105 2.680 1
91 1 16 1 "RMS(OBS, PRED)" C 112 1.045 1
92 1 16 1 "RMS(OBS, PRED)" CA 115 1.461 1
93 1 16 1 "RMS(OBS, PRED)" CB 109 1.060 1
94 1 16 1 "RMS(OBS, PRED)" H 106 0.580 1
95 1 16 1 "RMS(OBS, PRED)" HA 121 0.283 1
96 1 16 1 "RMS(OBS, PRED)" N 105 2.664 1
97 1 17 1 "RMS(OBS, PRED)" C 112 1.047 1
98 1 17 1 "RMS(OBS, PRED)" CA 115 1.371 1
99 1 17 1 "RMS(OBS, PRED)" CB 109 1.164 1
100 1 17 1 "RMS(OBS, PRED)" H 106 0.610 1
101 1 17 1 "RMS(OBS, PRED)" HA 121 0.288 1
102 1 17 1 "RMS(OBS, PRED)" N 105 2.602 1
103 1 18 1 "RMS(OBS, PRED)" C 112 1.129 1
104 1 18 1 "RMS(OBS, PRED)" CA 115 1.534 1
105 1 18 1 "RMS(OBS, PRED)" CB 109 1.247 1
106 1 18 1 "RMS(OBS, PRED)" H 106 0.628 1
107 1 18 1 "RMS(OBS, PRED)" HA 121 0.291 1
108 1 18 1 "RMS(OBS, PRED)" N 105 2.669 1
109 1 19 1 "RMS(OBS, PRED)" C 112 1.096 1
110 1 19 1 "RMS(OBS, PRED)" CA 115 1.484 1
111 1 19 1 "RMS(OBS, PRED)" CB 109 1.116 1
112 1 19 1 "RMS(OBS, PRED)" H 106 0.591 1
113 1 19 1 "RMS(OBS, PRED)" HA 121 0.295 1
114 1 19 1 "RMS(OBS, PRED)" N 105 2.490 1
115 1 20 1 "RMS(OBS, PRED)" C 112 1.028 1
116 1 20 1 "RMS(OBS, PRED)" CA 115 1.493 1
117 1 20 1 "RMS(OBS, PRED)" CB 109 1.090 1
118 1 20 1 "RMS(OBS, PRED)" H 106 0.604 1
119 1 20 1 "RMS(OBS, PRED)" HA 121 0.284 1
120 1 20 1 "RMS(OBS, PRED)" N 105 2.648 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 6 6 SER CA C 6 58.867 57.893 0.974 2
1 2 . 1 1 A 6 6 SER HA H 6 4.432 4.837 -0.405 2
1 3 . 1 1 A 6 6 SER CB C 6 63.603 64.739 -1.136 2
1 6 . 1 1 A 6 6 SER C C 6 175.018 174.107 0.911 2
1 7 . 1 1 A 7 7 GLY N N 7 110.530 111.580 -1.050 2
1 8 . 1 1 A 7 7 GLY H H 7 8.382 8.361 0.021 2
1 9 . 1 1 A 7 7 GLY CA C 7 45.311 45.128 0.183 2
1 10 . 1 1 A 7 7 GLY HA2 H 7 3.922 4.087 -0.165 2
1 11 . 1 1 A 7 7 GLY HA3 H 7 3.922 4.088 -0.166 2
1 12 . 1 1 A 7 7 GLY C C 7 173.740 172.843 0.897 2
1 13 . 1 1 A 8 8 ASP N N 8 120.471 120.616 -0.145 2
1 14 . 1 1 A 8 8 ASP H H 8 8.121 8.388 -0.267 2
1 15 . 1 1 A 8 8 ASP CA C 8 54.214 53.863 0.351 2
1 16 . 1 1 A 8 8 ASP HA H 8 4.560 4.838 -0.278 2
1 17 . 1 1 A 8 8 ASP CB C 8 41.172 42.104 -0.932 2
1 20 . 1 1 A 8 8 ASP C C 8 176.082 175.427 0.655 2
1 21 . 1 1 A 9 9 ILE N N 9 121.785 123.118 -1.333 2
1 22 . 1 1 A 9 9 ILE H H 9 8.115 8.562 -0.447 2
1 23 . 1 1 A 9 9 ILE CA C 9 60.327 60.752 -0.425 2
1 24 . 1 1 A 9 9 ILE HA H 9 4.083 4.370 -0.287 2
1 25 . 1 1 A 9 9 ILE CB C 9 38.394 38.530 -0.136 2
1 38 . 1 1 A 9 9 ILE C C 9 175.579 176.049 -0.470 2
1 39 . 1 1 A 10 10 ARG N N 10 125.977 125.796 0.181 2
1 40 . 1 1 A 10 10 ARG H H 10 8.319 8.881 -0.562 2
1 41 . 1 1 A 10 10 ARG CA C 10 54.661 60.771 -6.110 2
1 42 . 1 1 A 10 10 ARG HA H 10 4.493 4.080 0.413 2
1 43 . 1 1 A 10 10 ARG CB C 10 29.730 29.862 -0.132 2
1 52 . 1 1 A 10 10 ARG C C 10 175.511 176.662 -1.151 2
1 53 . 1 1 A 11 11 PRO CA C 11 65.595 65.095 0.500 2
1 54 . 1 1 A 11 11 PRO HA H 11 4.064 4.330 -0.266 2
1 55 . 1 1 A 11 11 PRO CB C 11 31.690 31.341 0.349 2
1 64 . 1 1 A 12 12 SER CA C 12 60.656 61.544 -0.888 2
1 65 . 1 1 A 12 12 SER HA H 12 4.194 4.206 -0.012 2
1 66 . 1 1 A 12 12 SER CB C 12 62.321 62.992 -0.671 2
1 69 . 1 1 A 13 13 LYS H H 13 7.510 7.874 -0.364 2
1 70 . 1 1 A 13 13 LYS CA C 13 58.585 59.416 -0.831 2
1 71 . 1 1 A 13 13 LYS HA H 13 4.186 4.063 0.123 2
1 72 . 1 1 A 13 13 LYS CB C 13 32.274 32.286 -0.012 2
1 84 . 1 1 A 13 13 LYS C C 13 179.028 178.580 0.448 2
1 85 . 1 1 A 14 14 LEU N N 14 121.315 121.193 0.122 2
1 86 . 1 1 A 14 14 LEU H H 14 7.968 7.991 -0.023 2
1 87 . 1 1 A 14 14 LEU CA C 14 57.648 58.247 -0.599 2
1 88 . 1 1 A 14 14 LEU HA H 14 3.889 3.726 0.163 2
1 89 . 1 1 A 14 14 LEU CB C 14 42.171 41.590 0.582 2
1 102 . 1 1 A 14 14 LEU C C 14 178.689 178.469 0.220 2
1 103 . 1 1 A 15 15 LEU N N 15 120.526 119.817 0.709 2
1 104 . 1 1 A 15 15 LEU H H 15 8.546 8.213 0.333 2
1 105 . 1 1 A 15 15 LEU CA C 15 59.227 58.520 0.707 2
1 106 . 1 1 A 15 15 LEU HA H 15 4.038 4.112 -0.074 2
1 107 . 1 1 A 15 15 LEU CB C 15 40.993 41.757 -0.764 2
1 120 . 1 1 A 15 15 LEU C C 15 178.020 178.728 -0.708 2
1 121 . 1 1 A 16 16 THR N N 16 114.667 113.851 0.816 2
1 122 . 1 1 A 16 16 THR H H 16 7.945 7.861 0.084 2
1 123 . 1 1 A 16 16 THR CA C 16 66.778 66.596 0.182 2
1 124 . 1 1 A 16 16 THR HA H 16 4.162 4.000 0.162 2
1 125 . 1 1 A 16 16 THR CB C 16 68.914 68.568 0.346 2
1 131 . 1 1 A 16 16 THR C C 16 176.419 176.641 -0.222 2
1 132 . 1 1 A 17 17 TRP N N 17 122.548 121.194 1.354 2
1 133 . 1 1 A 17 17 TRP H H 17 8.242 8.170 0.072 2
1 134 . 1 1 A 17 17 TRP CA C 17 63.006 61.515 1.491 2
1 135 . 1 1 A 17 17 TRP HA H 17 4.442 4.264 0.178 2
1 136 . 1 1 A 17 17 TRP CB C 17 28.530 29.890 -1.360 2
1 151 . 1 1 A 17 17 TRP C C 17 178.678 178.029 0.649 2
1 152 . 1 1 A 18 18 CYS N N 18 117.202 117.014 0.188 2
1 153 . 1 1 A 18 18 CYS H H 18 8.993 8.249 0.744 2
1 154 . 1 1 A 18 18 CYS CA C 18 64.830 63.559 1.271 2
1 155 . 1 1 A 18 18 CYS HA H 18 3.855 3.918 -0.063 2
1 156 . 1 1 A 18 18 CYS CB C 18 27.945 27.268 0.677 2
1 159 . 1 1 A 18 18 CYS C C 18 178.411 177.163 1.248 2
1 160 . 1 1 A 19 19 GLN N N 19 120.296 119.676 0.620 2
1 161 . 1 1 A 19 19 GLN H H 19 8.696 8.539 0.157 2
1 162 . 1 1 A 19 19 GLN CA C 19 59.705 59.045 0.660 2
1 163 . 1 1 A 19 19 GLN HA H 19 3.654 4.028 -0.374 2
1 164 . 1 1 A 19 19 GLN CB C 19 27.820 28.274 -0.454 2
1 173 . 1 1 A 19 19 GLN C C 19 177.957 178.768 -0.811 2
1 174 . 1 1 A 20 20 GLN N N 20 119.247 119.216 0.031 2
1 175 . 1 1 A 20 20 GLN H H 20 8.306 8.070 0.236 2
1 176 . 1 1 A 20 20 GLN CA C 20 58.838 58.966 -0.128 2
1 177 . 1 1 A 20 20 GLN HA H 20 4.016 3.976 0.040 2
1 178 . 1 1 A 20 20 GLN CB C 20 28.000 28.355 -0.355 2
1 187 . 1 1 A 20 20 GLN C C 20 179.476 178.810 0.666 2
1 188 . 1 1 A 21 21 GLN N N 21 113.337 118.739 -5.402 2
1 189 . 1 1 A 21 21 GLN H H 21 7.999 7.790 0.209 2
1 190 . 1 1 A 21 21 GLN CA C 21 55.909 58.887 -2.978 2
1 191 . 1 1 A 21 21 GLN HA H 21 4.043 3.801 0.242 2
1 192 . 1 1 A 21 21 GLN CB C 21 27.676 27.875 -0.199 2
1 201 . 1 1 A 21 21 GLN C C 21 177.394 177.955 -0.561 2
1 202 . 1 1 A 22 22 THR N N 22 103.485 109.972 -6.487 2
1 203 . 1 1 A 22 22 THR H H 22 7.119 7.688 -0.569 2
1 204 . 1 1 A 22 22 THR CA C 22 61.272 63.450 -2.178 2
1 205 . 1 1 A 22 22 THR HA H 22 4.092 4.091 0.001 2
1 206 . 1 1 A 22 22 THR CB C 22 69.448 68.582 0.866 2
1 212 . 1 1 A 22 22 THR C C 22 174.644 174.466 0.178 2
1 213 . 1 1 A 23 23 GLU N N 23 125.366 122.737 2.630 2
1 214 . 1 1 A 23 23 GLU H H 23 6.949 7.861 -0.912 2
1 215 . 1 1 A 23 23 GLU CA C 23 58.389 58.026 0.363 2
1 216 . 1 1 A 23 23 GLU HA H 23 3.999 4.071 -0.072 2
1 217 . 1 1 A 23 23 GLU CB C 23 29.683 29.818 -0.135 2
1 223 . 1 1 A 23 23 GLU C C 23 177.061 177.417 -0.356 2
1 224 . 1 1 A 24 24 GLY N N 24 112.717 114.227 -1.510 2
1 225 . 1 1 A 24 24 GLY H H 24 8.732 8.842 -0.110 2
1 226 . 1 1 A 24 24 GLY CA C 24 45.326 45.134 0.192 2
1 227 . 1 1 A 24 24 GLY HA2 H 24 3.988 3.918 0.070 2
1 228 . 1 1 A 24 24 GLY HA3 H 24 3.538 3.940 -0.402 2
1 229 . 1 1 A 24 24 GLY C C 24 174.531 174.085 0.446 2
1 230 . 1 1 A 25 25 TYR N N 25 120.189 119.767 0.422 2
1 231 . 1 1 A 25 25 TYR H H 25 7.488 7.763 -0.275 2
1 232 . 1 1 A 25 25 TYR CA C 25 59.028 58.134 0.894 2
1 233 . 1 1 A 25 25 TYR HA H 25 3.947 4.314 -0.367 2
1 234 . 1 1 A 25 25 TYR CB C 25 37.202 38.815 -1.613 2
1 245 . 1 1 A 25 25 TYR C C 25 176.354 175.445 0.909 2
1 246 . 1 1 A 26 26 GLN N N 26 125.301 121.456 3.845 2
1 247 . 1 1 A 26 26 GLN H H 26 8.877 8.446 0.431 2
1 248 . 1 1 A 26 26 GLN CA C 26 56.923 55.139 1.784 2
1 249 . 1 1 A 26 26 GLN HA H 26 3.866 4.527 -0.661 2
1 250 . 1 1 A 26 26 GLN CB C 26 28.808 30.255 -1.447 2
1 259 . 1 1 A 26 26 GLN C C 26 175.582 175.838 -0.256 2
1 260 . 1 1 A 27 27 HIS N N 27 111.738 115.816 -4.078 2
1 261 . 1 1 A 27 27 HIS H H 27 8.581 8.526 0.055 2
1 262 . 1 1 A 27 27 HIS CA C 27 56.937 56.948 -0.011 2
1 263 . 1 1 A 27 27 HIS HA H 27 4.174 4.025 0.149 2
1 264 . 1 1 A 27 27 HIS CB C 27 26.839 26.906 -0.067 2
1 271 . 1 1 A 27 27 HIS C C 27 172.979 174.166 -1.187 2
1 272 . 1 1 A 28 28 VAL N N 28 118.229 118.901 -0.672 2
1 273 . 1 1 A 28 28 VAL H H 28 7.377 7.603 -0.226 2
1 274 . 1 1 A 28 28 VAL CA C 28 61.927 61.585 0.342 2
1 275 . 1 1 A 28 28 VAL HA H 28 3.922 4.233 -0.311 2
1 276 . 1 1 A 28 28 VAL CB C 28 33.373 32.890 0.483 2
1 286 . 1 1 A 28 28 VAL C C 28 174.687 173.623 1.064 2
1 287 . 1 1 A 29 29 ASN N N 29 125.832 127.327 -1.495 2
1 288 . 1 1 A 29 29 ASN H H 29 8.604 9.059 -0.455 2
1 289 . 1 1 A 29 29 ASN CA C 29 52.651 51.752 0.899 2
1 290 . 1 1 A 29 29 ASN HA H 29 4.682 5.315 -0.633 2
1 291 . 1 1 A 29 29 ASN CB C 29 39.124 39.648 -0.524 2
1 297 . 1 1 A 29 29 ASN C C 29 173.380 173.772 -0.392 2
1 298 . 1 1 A 30 30 VAL N N 30 125.146 126.501 -1.355 2
1 299 . 1 1 A 30 30 VAL H H 30 9.203 8.868 0.335 2
1 300 . 1 1 A 30 30 VAL CA C 30 63.838 62.608 1.230 2
1 301 . 1 1 A 30 30 VAL HA H 30 3.699 4.156 -0.457 2
1 302 . 1 1 A 30 30 VAL CB C 30 31.136 31.289 -0.153 2
1 312 . 1 1 A 30 30 VAL C C 30 176.046 176.332 -0.286 2
1 313 . 1 1 A 31 31 THR N N 31 118.952 118.458 0.494 2
1 314 . 1 1 A 31 31 THR H H 31 8.396 8.631 -0.235 2
1 315 . 1 1 A 31 31 THR CA C 31 60.985 62.120 -1.135 2
1 316 . 1 1 A 31 31 THR HA H 31 4.316 4.613 -0.297 2
1 317 . 1 1 A 31 31 THR CB C 31 70.087 70.345 -0.258 2
1 323 . 1 1 A 31 31 THR C C 31 173.296 174.454 -1.158 2
1 324 . 1 1 A 32 32 ASP N N 32 120.757 120.300 0.457 2
1 325 . 1 1 A 32 32 ASP H H 32 8.078 7.661 0.417 2
1 326 . 1 1 A 32 32 ASP CA C 32 53.069 52.851 0.218 2
1 327 . 1 1 A 32 32 ASP HA H 32 4.536 5.132 -0.596 2
1 328 . 1 1 A 32 32 ASP CB C 32 41.527 44.164 -2.637 2
1 331 . 1 1 A 32 32 ASP C C 32 174.931 175.432 -0.501 2
1 332 . 1 1 A 33 33 LEU N N 33 117.024 120.853 -3.829 2
1 333 . 1 1 A 33 33 LEU H H 33 8.733 8.513 0.220 2
1 334 . 1 1 A 33 33 LEU CA C 33 54.453 54.403 0.050 2
1 335 . 1 1 A 33 33 LEU HA H 33 4.834 4.998 -0.164 2
1 336 . 1 1 A 33 33 LEU CB C 33 41.867 41.923 -0.056 2
1 349 . 1 1 A 33 33 LEU C C 33 174.039 177.125 -3.086 2
1 350 . 1 1 A 34 34 THR N N 34 103.873 112.010 -8.137 2
1 351 . 1 1 A 34 34 THR H H 34 7.900 7.904 -0.004 2
1 352 . 1 1 A 34 34 THR CA C 34 60.434 62.509 -2.075 2
1 353 . 1 1 A 34 34 THR HA H 34 4.519 4.663 -0.144 2
1 354 . 1 1 A 34 34 THR CB C 34 70.237 70.102 0.135 2
1 360 . 1 1 A 34 34 THR C C 34 175.954 175.817 0.137 2
1 361 . 1 1 A 35 35 THR N N 35 118.103 114.800 3.303 2
1 362 . 1 1 A 35 35 THR H H 35 9.363 8.311 1.052 2
1 363 . 1 1 A 35 35 THR CA C 35 66.422 64.528 1.893 2
1 364 . 1 1 A 35 35 THR HA H 35 3.981 4.268 -0.287 2
1 365 . 1 1 A 35 35 THR CB C 35 68.720 68.987 -0.267 2
1 371 . 1 1 A 35 35 THR C C 35 177.778 176.824 0.954 2
1 372 . 1 1 A 36 36 SER N N 36 120.417 116.554 3.863 2
1 373 . 1 1 A 36 36 SER H H 36 10.544 8.310 2.234 2
1 374 . 1 1 A 36 36 SER CA C 36 61.076 62.023 -0.947 2
1 375 . 1 1 A 36 36 SER HA H 36 4.395 4.193 0.202 2
1 376 . 1 1 A 36 36 SER CB C 36 63.485 63.107 0.378 2
1 379 . 1 1 A 36 36 SER C C 36 173.956 175.413 -1.457 2
1 380 . 1 1 A 37 37 TRP N N 37 121.387 119.190 2.197 2
1 381 . 1 1 A 37 37 TRP H H 37 8.126 8.088 0.038 2
1 382 . 1 1 A 37 37 TRP CA C 37 57.689 56.417 1.272 2
1 383 . 1 1 A 37 37 TRP HA H 37 4.340 5.073 -0.733 2
1 384 . 1 1 A 37 37 TRP CB C 37 28.915 29.257 -0.342 2
1 399 . 1 1 A 37 37 TRP C C 37 176.751 176.783 -0.032 2
1 400 . 1 1 A 38 38 ARG N N 38 121.787 119.721 2.066 2
1 401 . 1 1 A 38 38 ARG H H 38 7.473 8.373 -0.900 2
1 402 . 1 1 A 38 38 ARG CA C 38 60.250 58.807 1.443 2
1 403 . 1 1 A 38 38 ARG HA H 38 4.065 4.231 -0.166 2
1 404 . 1 1 A 38 38 ARG CB C 38 30.807 30.130 0.677 2
1 415 . 1 1 A 38 38 ARG C C 38 177.636 178.363 -0.727 2
1 416 . 1 1 A 39 39 SER N N 39 110.340 113.988 -3.648 2
1 417 . 1 1 A 39 39 SER H H 39 8.665 7.754 0.911 2
1 418 . 1 1 A 39 39 SER CA C 39 59.336 59.090 0.246 2
1 419 . 1 1 A 39 39 SER HA H 39 4.349 4.488 -0.139 2
1 420 . 1 1 A 39 39 SER CB C 39 64.907 64.124 0.783 2
1 423 . 1 1 A 39 39 SER C C 39 174.768 174.688 0.080 2
1 424 . 1 1 A 40 40 GLY N N 40 109.467 108.894 0.573 2
1 425 . 1 1 A 40 40 GLY H H 40 7.549 7.835 -0.286 2
1 426 . 1 1 A 40 40 GLY CA C 40 46.347 45.324 1.023 2
1 427 . 1 1 A 40 40 GLY HA2 H 40 3.875 3.885 -0.010 2
1 428 . 1 1 A 40 40 GLY HA3 H 40 3.915 3.950 -0.035 2
1 429 . 1 1 A 40 40 GLY C C 40 173.725 175.916 -2.191 2
1 430 . 1 1 A 41 41 LEU N N 41 117.562 121.741 -4.179 2
1 431 . 1 1 A 41 41 LEU H H 41 7.287 8.160 -0.873 2
1 432 . 1 1 A 41 41 LEU CA C 41 57.482 57.609 -0.127 2
1 433 . 1 1 A 41 41 LEU HA H 41 3.882 3.848 0.034 2
1 434 . 1 1 A 41 41 LEU CB C 41 42.615 41.633 0.982 2
1 447 . 1 1 A 41 41 LEU C C 41 178.159 178.751 -0.592 2
1 448 . 1 1 A 42 42 ALA N N 42 121.758 121.321 0.437 2
1 449 . 1 1 A 42 42 ALA H H 42 8.506 8.151 0.355 2
1 450 . 1 1 A 42 42 ALA CA C 42 55.694 55.046 0.648 2
1 451 . 1 1 A 42 42 ALA HA H 42 3.582 3.740 -0.158 2
1 452 . 1 1 A 42 42 ALA CB C 42 17.039 17.814 -0.775 2
1 456 . 1 1 A 42 42 ALA C C 42 178.076 179.363 -1.287 2
1 457 . 1 1 A 43 43 LEU N N 43 118.332 119.162 -0.830 2
1 458 . 1 1 A 43 43 LEU H H 43 8.933 7.789 1.144 2
1 459 . 1 1 A 43 43 LEU CA C 43 57.425 57.942 -0.517 2
1 460 . 1 1 A 43 43 LEU HA H 43 4.308 4.261 0.047 2
1 461 . 1 1 A 43 43 LEU CB C 43 42.068 41.896 0.172 2
1 474 . 1 1 A 43 43 LEU C C 43 179.198 178.498 0.700 2
1 475 . 1 1 A 44 44 CYS N N 44 115.098 117.023 -1.925 2
1 476 . 1 1 A 44 44 CYS H H 44 7.607 8.344 -0.737 2
1 477 . 1 1 A 44 44 CYS CA C 44 65.664 62.572 3.092 2
1 478 . 1 1 A 44 44 CYS HA H 44 4.035 4.125 -0.090 2
1 479 . 1 1 A 44 44 CYS CB C 44 27.516 26.812 0.704 2
1 482 . 1 1 A 44 44 CYS C C 44 176.222 177.281 -1.059 2
1 483 . 1 1 A 45 45 ALA N N 45 121.778 121.981 -0.203 2
1 484 . 1 1 A 45 45 ALA H H 45 8.435 8.007 0.428 2
1 485 . 1 1 A 45 45 ALA CA C 45 55.306 54.865 0.441 2
1 486 . 1 1 A 45 45 ALA HA H 45 3.184 3.914 -0.730 2
1 487 . 1 1 A 45 45 ALA CB C 45 17.395 17.685 -0.290 2
1 491 . 1 1 A 45 45 ALA C C 45 177.510 179.799 -2.289 2
1 492 . 1 1 A 46 46 ILE N N 46 116.463 118.107 -1.644 2
1 493 . 1 1 A 46 46 ILE H H 46 7.527 7.733 -0.206 2
1 494 . 1 1 A 46 46 ILE CA C 46 65.137 64.976 0.161 2
1 495 . 1 1 A 46 46 ILE HA H 46 3.267 3.600 -0.333 2
1 496 . 1 1 A 46 46 ILE CB C 46 37.084 37.954 -0.870 2
1 509 . 1 1 A 46 46 ILE C C 46 176.744 178.588 -1.844 2
1 510 . 1 1 A 47 47 ILE N N 47 115.676 120.399 -4.723 2
1 511 . 1 1 A 47 47 ILE H H 47 7.786 7.875 -0.089 2
1 512 . 1 1 A 47 47 ILE CA C 47 66.948 65.174 1.774 2
1 513 . 1 1 A 47 47 ILE HA H 47 3.754 3.854 -0.100 2
1 514 . 1 1 A 47 47 ILE CB C 47 38.335 38.038 0.298 2
1 527 . 1 1 A 47 47 ILE C C 47 176.853 178.267 -1.414 2
1 528 . 1 1 A 48 48 HIS N N 48 120.066 119.772 0.294 2
1 529 . 1 1 A 48 48 HIS H H 48 8.569 8.721 -0.152 2
1 530 . 1 1 A 48 48 HIS CA C 48 60.767 60.072 0.695 2
1 531 . 1 1 A 48 48 HIS HA H 48 3.918 4.326 -0.408 2
1 532 . 1 1 A 48 48 HIS CB C 48 31.245 30.039 1.206 2
1 539 . 1 1 A 48 48 HIS C C 48 175.841 177.011 -1.170 2
1 540 . 1 1 A 49 49 ARG N N 49 118.781 118.196 0.585 2
1 541 . 1 1 A 49 49 ARG H H 49 8.572 8.497 0.075 2
1 542 . 1 1 A 49 49 ARG CA C 49 58.152 59.285 -1.133 2
1 543 . 1 1 A 49 49 ARG HA H 49 3.680 3.964 -0.284 2
1 544 . 1 1 A 49 49 ARG CB C 49 28.454 30.080 -1.626 2
1 555 . 1 1 A 49 49 ARG C C 49 177.830 179.029 -1.199 2
1 556 . 1 1 A 50 50 PHE N N 50 113.909 117.861 -3.952 2
1 557 . 1 1 A 50 50 PHE H H 50 6.900 7.899 -0.999 2
1 558 . 1 1 A 50 50 PHE CA C 50 59.885 60.003 -0.118 2
1 559 . 1 1 A 50 50 PHE HA H 50 4.281 4.347 -0.066 2
1 560 . 1 1 A 50 50 PHE CB C 50 41.527 39.299 2.228 2
1 573 . 1 1 A 50 50 PHE C C 50 176.867 176.031 0.835 2
1 574 . 1 1 A 51 51 ARG N N 51 120.652 118.912 1.740 2
1 575 . 1 1 A 51 51 ARG H H 51 9.059 8.328 0.731 2
1 576 . 1 1 A 51 51 ARG CA C 51 51.499 53.760 -2.261 2
1 577 . 1 1 A 51 51 ARG HA H 51 4.942 4.839 0.103 2
1 578 . 1 1 A 51 51 ARG CB C 51 30.307 30.665 -0.358 2
1 589 . 1 1 A 51 51 ARG C C 51 172.670 174.615 -1.945 2
1 590 . 1 1 A 52 52 PRO CA C 52 64.948 64.295 0.653 2
1 591 . 1 1 A 52 52 PRO HA H 52 4.343 4.304 0.039 2
1 592 . 1 1 A 52 52 PRO CB C 52 31.091 31.658 -0.567 2
1 601 . 1 1 A 52 52 PRO C C 52 177.406 177.794 -0.388 2
1 602 . 1 1 A 53 53 GLU N N 53 118.219 117.308 0.911 2
1 603 . 1 1 A 53 53 GLU H H 53 9.784 8.583 1.201 2
1 604 . 1 1 A 53 53 GLU CA C 53 57.285 59.225 -1.940 2
1 605 . 1 1 A 53 53 GLU HA H 53 4.322 4.147 0.175 2
1 606 . 1 1 A 53 53 GLU CB C 53 27.771 29.059 -1.288 2
1 612 . 1 1 A 53 53 GLU C C 53 177.957 179.053 -1.096 2
1 613 . 1 1 A 54 54 LEU N N 54 119.316 118.499 0.817 2
1 614 . 1 1 A 54 54 LEU H H 54 8.212 7.434 0.778 2
1 615 . 1 1 A 54 54 LEU CA C 54 55.943 57.013 -1.070 2
1 616 . 1 1 A 54 54 LEU HA H 54 4.337 4.195 0.142 2
1 617 . 1 1 A 54 54 LEU CB C 54 43.122 42.843 0.279 2
1 630 . 1 1 A 54 54 LEU C C 54 177.159 176.981 0.178 2
1 631 . 1 1 A 55 55 ILE N N 55 115.493 117.920 -2.427 2
1 632 . 1 1 A 55 55 ILE H H 55 6.990 7.689 -0.699 2
1 633 . 1 1 A 55 55 ILE CA C 55 59.645 59.914 -0.269 2
1 634 . 1 1 A 55 55 ILE HA H 55 4.230 4.757 -0.527 2
1 635 . 1 1 A 55 55 ILE CB C 55 43.159 41.694 1.464 2
1 648 . 1 1 A 55 55 ILE C C 55 173.302 174.496 -1.194 2
1 649 . 1 1 A 56 56 ASN N N 56 124.568 124.867 -0.299 2
1 650 . 1 1 A 56 56 ASN H H 56 8.984 8.790 0.194 2
1 651 . 1 1 A 56 56 ASN CA C 56 51.198 51.630 -0.432 2
1 652 . 1 1 A 56 56 ASN HA H 56 5.100 5.241 -0.141 2
1 653 . 1 1 A 56 56 ASN CB C 56 36.452 38.971 -2.519 2
1 659 . 1 1 A 56 56 ASN C C 56 175.902 175.482 0.419 2
1 660 . 1 1 A 57 57 PHE N N 57 126.548 125.299 1.249 2
1 661 . 1 1 A 57 57 PHE H H 57 7.219 8.694 -1.475 2
1 662 . 1 1 A 57 57 PHE CA C 57 62.399 62.300 0.099 2
1 663 . 1 1 A 57 57 PHE HA H 57 3.514 3.921 -0.407 2
1 664 . 1 1 A 57 57 PHE CB C 57 39.553 39.611 -0.058 2
1 677 . 1 1 A 57 57 PHE C C 57 176.597 176.726 -0.129 2
1 678 . 1 1 A 58 58 ASP N N 58 116.755 119.042 -2.287 2
1 679 . 1 1 A 58 58 ASP H H 58 8.691 8.376 0.315 2
1 680 . 1 1 A 58 58 ASP CA C 58 56.635 57.315 -0.680 2
1 681 . 1 1 A 58 58 ASP HA H 58 4.324 4.397 -0.073 2
1 682 . 1 1 A 58 58 ASP CB C 58 40.262 40.825 -0.563 2
1 685 . 1 1 A 58 58 ASP C C 58 176.562 178.300 -1.738 2
1 686 . 1 1 A 59 59 SER N N 59 112.320 113.370 -1.050 2
1 687 . 1 1 A 59 59 SER H H 59 7.412 8.011 -0.599 2
1 688 . 1 1 A 59 59 SER CA C 59 58.740 61.199 -2.459 2
1 689 . 1 1 A 59 59 SER HA H 59 4.365 4.337 0.028 2
1 690 . 1 1 A 59 59 SER CB C 59 64.598 63.172 1.426 2
1 693 . 1 1 A 59 59 SER C C 59 174.309 174.895 -0.586 2
1 694 . 1 1 A 60 60 LEU N N 60 121.693 121.978 -0.285 2
1 695 . 1 1 A 60 60 LEU H H 60 7.176 7.385 -0.209 2
1 696 . 1 1 A 60 60 LEU CA C 60 54.593 55.572 -0.979 2
1 697 . 1 1 A 60 60 LEU HA H 60 4.196 4.044 0.152 2
1 698 . 1 1 A 60 60 LEU CB C 60 40.943 41.752 -0.809 2
1 711 . 1 1 A 60 60 LEU C C 60 176.774 176.020 0.754 2
1 712 . 1 1 A 61 61 ASN N N 61 121.648 124.357 -2.709 2
1 713 . 1 1 A 61 61 ASN H H 61 9.391 8.455 0.936 2
1 714 . 1 1 A 61 61 ASN CA C 61 51.763 52.011 -0.248 2
1 715 . 1 1 A 61 61 ASN HA H 61 4.721 4.898 -0.177 2
1 716 . 1 1 A 61 61 ASN CB C 61 40.025 39.979 0.046 2
1 722 . 1 1 A 61 61 ASN C C 61 176.599 175.833 0.766 2
1 723 . 1 1 A 62 62 GLU N N 62 126.707 125.914 0.793 2
1 724 . 1 1 A 62 62 GLU H H 62 9.255 8.837 0.418 2
1 725 . 1 1 A 62 62 GLU CA C 62 58.926 59.784 -0.858 2
1 726 . 1 1 A 62 62 GLU HA H 62 3.688 3.917 -0.229 2
1 727 . 1 1 A 62 62 GLU CB C 62 29.479 29.321 0.158 2
1 733 . 1 1 A 62 62 GLU C C 62 176.196 177.915 -1.719 2
1 734 . 1 1 A 63 63 ASP N N 63 116.763 120.026 -3.263 2
1 735 . 1 1 A 63 63 ASP H H 63 8.317 8.212 0.105 2
1 736 . 1 1 A 63 63 ASP CA C 63 55.499 57.188 -1.689 2
1 737 . 1 1 A 63 63 ASP HA H 63 4.509 4.370 0.139 2
1 738 . 1 1 A 63 63 ASP CB C 63 40.697 41.199 -0.502 2
1 741 . 1 1 A 63 63 ASP C C 63 177.195 177.301 -0.106 2
1 742 . 1 1 A 64 64 ASP N N 64 123.036 117.550 5.486 2
1 743 . 1 1 A 64 64 ASP H H 64 7.422 8.203 -0.781 2
1 744 . 1 1 A 64 64 ASP CA C 64 52.760 53.491 -0.731 2
1 745 . 1 1 A 64 64 ASP HA H 64 4.949 4.898 0.051 2
1 746 . 1 1 A 64 64 ASP CB C 64 38.920 39.733 -0.813 2
1 749 . 1 1 A 64 64 ASP C C 64 174.979 176.162 -1.183 2
1 750 . 1 1 A 65 65 ALA N N 65 123.411 123.274 0.137 2
1 751 . 1 1 A 65 65 ALA H H 65 7.527 7.975 -0.448 2
1 752 . 1 1 A 65 65 ALA CA C 65 55.750 55.233 0.517 2
1 753 . 1 1 A 65 65 ALA HA H 65 4.295 3.949 0.346 2
1 754 . 1 1 A 65 65 ALA CB C 65 19.889 18.566 1.323 2
1 758 . 1 1 A 65 65 ALA C C 65 181.114 179.788 1.326 2
1 759 . 1 1 A 66 66 VAL N N 66 119.151 118.318 0.833 2
1 760 . 1 1 A 66 66 VAL H H 66 8.305 8.159 0.146 2
1 761 . 1 1 A 66 66 VAL CA C 66 67.423 67.001 0.422 2
1 762 . 1 1 A 66 66 VAL HA H 66 3.292 3.576 -0.285 2
1 763 . 1 1 A 66 66 VAL CB C 66 31.418 31.604 -0.186 2
1 773 . 1 1 A 66 66 VAL C C 66 177.471 177.890 -0.419 2
1 774 . 1 1 A 67 67 GLU N N 67 117.895 118.877 -0.982 2
1 775 . 1 1 A 67 67 GLU H H 67 8.256 8.217 0.039 2
1 776 . 1 1 A 67 67 GLU CA C 67 59.831 59.718 0.113 2
1 777 . 1 1 A 67 67 GLU HA H 67 3.901 3.961 -0.060 2
1 778 . 1 1 A 67 67 GLU CB C 67 28.963 29.380 -0.417 2
1 784 . 1 1 A 67 67 GLU C C 67 179.796 179.221 0.575 2
1 785 . 1 1 A 68 68 ASN N N 68 119.611 118.213 1.398 2
1 786 . 1 1 A 68 68 ASN H H 68 9.019 8.399 0.621 2
1 787 . 1 1 A 68 68 ASN CA C 68 55.797 56.383 -0.586 2
1 788 . 1 1 A 68 68 ASN HA H 68 4.325 4.343 -0.018 2
1 789 . 1 1 A 68 68 ASN CB C 68 37.140 37.953 -0.813 2
1 795 . 1 1 A 68 68 ASN C C 68 177.193 178.105 -0.912 2
1 796 . 1 1 A 69 69 ASN N N 69 115.555 117.849 -2.294 2
1 797 . 1 1 A 69 69 ASN H H 69 7.589 8.233 -0.644 2
1 798 . 1 1 A 69 69 ASN CA C 69 57.155 56.097 1.058 2
1 799 . 1 1 A 69 69 ASN HA H 69 3.880 4.132 -0.252 2
1 800 . 1 1 A 69 69 ASN CB C 69 40.785 38.226 2.559 2
1 806 . 1 1 A 69 69 ASN C C 69 175.062 177.490 -2.428 2
1 807 . 1 1 A 70 70 GLN N N 70 115.794 119.214 -3.420 2
1 808 . 1 1 A 70 70 GLN H H 70 8.058 7.991 0.067 2
1 809 . 1 1 A 70 70 GLN CA C 70 58.400 58.999 -0.599 2
1 810 . 1 1 A 70 70 GLN HA H 70 3.591 4.219 -0.628 2
1 811 . 1 1 A 70 70 GLN CB C 70 29.420 28.439 0.981 2
1 820 . 1 1 A 70 70 GLN C C 70 176.954 178.130 -1.176 2
1 821 . 1 1 A 71 71 LEU N N 71 118.631 121.345 -2.714 2
1 822 . 1 1 A 71 71 LEU H H 71 8.090 8.230 -0.140 2
1 823 . 1 1 A 71 71 LEU CA C 71 58.121 58.451 -0.330 2
1 824 . 1 1 A 71 71 LEU HA H 71 4.291 4.014 0.277 2
1 825 . 1 1 A 71 71 LEU CB C 71 42.100 41.942 0.158 2
1 838 . 1 1 A 71 71 LEU C C 71 177.664 178.192 -0.528 2
1 839 . 1 1 A 72 72 ALA N N 72 119.977 120.272 -0.295 2
1 840 . 1 1 A 72 72 ALA H H 72 7.274 8.030 -0.756 2
1 841 . 1 1 A 72 72 ALA CA C 72 55.807 55.073 0.734 2
1 842 . 1 1 A 72 72 ALA HA H 72 3.873 4.090 -0.217 2
1 843 . 1 1 A 72 72 ALA CB C 72 18.412 18.492 -0.081 2
1 847 . 1 1 A 72 72 ALA C C 72 179.676 180.024 -0.348 2
1 848 . 1 1 A 73 73 PHE N N 73 115.018 116.178 -1.160 2
1 849 . 1 1 A 73 73 PHE H H 73 8.722 7.918 0.804 2
1 850 . 1 1 A 73 73 PHE CA C 73 56.889 61.962 -5.073 2
1 851 . 1 1 A 73 73 PHE HA H 73 4.848 4.566 0.282 2
1 852 . 1 1 A 73 73 PHE CB C 73 37.404 38.965 -1.561 2
1 865 . 1 1 A 73 73 PHE C C 73 180.123 178.119 2.003 2
1 866 . 1 1 A 74 74 ASP N N 74 122.136 119.283 2.853 2
1 867 . 1 1 A 74 74 ASP H H 74 9.262 8.729 0.533 2
1 868 . 1 1 A 74 74 ASP CA C 74 57.648 57.580 0.068 2
1 869 . 1 1 A 74 74 ASP HA H 74 4.550 4.399 0.151 2
1 870 . 1 1 A 74 74 ASP CB C 74 40.073 41.384 -1.311 2
1 873 . 1 1 A 74 74 ASP C C 74 179.818 178.787 1.031 2
1 874 . 1 1 A 75 75 VAL N N 75 122.521 119.367 3.154 2
1 875 . 1 1 A 75 75 VAL H H 75 9.080 8.500 0.580 2
1 876 . 1 1 A 75 75 VAL CA C 75 66.894 66.383 0.511 2
1 877 . 1 1 A 75 75 VAL HA H 75 3.611 3.619 -0.008 2
1 878 . 1 1 A 75 75 VAL CB C 75 31.943 31.546 0.397 2
1 888 . 1 1 A 75 75 VAL C C 75 177.813 178.286 -0.473 2
1 889 . 1 1 A 76 76 ALA N N 76 121.109 121.937 -0.828 2
1 890 . 1 1 A 76 76 ALA H H 76 8.813 8.415 0.398 2
1 891 . 1 1 A 76 76 ALA CA C 76 55.181 55.280 -0.099 2
1 892 . 1 1 A 76 76 ALA HA H 76 4.092 4.156 -0.064 2
1 893 . 1 1 A 76 76 ALA CB C 76 19.324 18.685 0.639 2
1 897 . 1 1 A 76 76 ALA C C 76 180.373 180.122 0.251 2
1 898 . 1 1 A 77 77 GLU N N 77 120.309 118.600 1.709 2
1 899 . 1 1 A 77 77 GLU H H 77 8.257 8.101 0.156 2
1 900 . 1 1 A 77 77 GLU CA C 77 59.818 58.645 1.173 2
1 901 . 1 1 A 77 77 GLU HA H 77 3.982 4.229 -0.247 2
1 902 . 1 1 A 77 77 GLU CB C 77 30.530 29.784 0.746 2
1 908 . 1 1 A 77 77 GLU C C 77 178.591 178.176 0.415 2
1 909 . 1 1 A 78 78 ARG N N 78 119.060 119.275 -0.215 2
1 910 . 1 1 A 78 78 ARG H H 78 8.325 7.947 0.378 2
1 911 . 1 1 A 78 78 ARG CA C 78 59.232 57.772 1.460 2
1 912 . 1 1 A 78 78 ARG HA H 78 4.048 4.298 -0.250 2
1 913 . 1 1 A 78 78 ARG CB C 78 31.462 30.750 0.712 2
1 924 . 1 1 A 78 78 ARG C C 78 178.327 177.731 0.596 2
1 925 . 1 1 A 79 79 GLU N N 79 114.012 117.795 -3.783 2
1 926 . 1 1 A 79 79 GLU H H 79 8.878 8.332 0.546 2
1 927 . 1 1 A 79 79 GLU CA C 79 56.599 58.087 -1.488 2
1 928 . 1 1 A 79 79 GLU HA H 79 4.329 4.304 0.025 2
1 929 . 1 1 A 79 79 GLU CB C 79 28.771 30.485 -1.714 2
1 935 . 1 1 A 79 79 GLU C C 79 178.301 178.168 0.133 2
1 936 . 1 1 A 80 80 PHE N N 80 113.394 117.036 -3.642 2
1 937 . 1 1 A 80 80 PHE H H 80 6.906 7.387 -0.481 2
1 938 . 1 1 A 80 80 PHE CA C 80 53.518 58.030 -4.512 2
1 939 . 1 1 A 80 80 PHE HA H 80 5.246 4.571 0.675 2
1 940 . 1 1 A 80 80 PHE CB C 80 39.910 39.316 0.594 2
1 953 . 1 1 A 80 80 PHE C C 80 176.487 176.101 0.386 2
1 954 . 1 1 A 81 81 GLY N N 81 108.698 109.067 -0.369 2
1 955 . 1 1 A 81 81 GLY H H 81 7.352 8.220 -0.868 2
1 956 . 1 1 A 81 81 GLY CA C 81 46.520 46.625 -0.105 2
1 957 . 1 1 A 81 81 GLY HA2 H 81 3.975 4.004 -0.029 2
1 958 . 1 1 A 81 81 GLY HA3 H 81 3.975 4.011 -0.036 2
1 959 . 1 1 A 81 81 GLY C C 81 174.711 174.581 0.130 2
1 960 . 1 1 A 82 82 ILE N N 82 122.486 122.293 0.193 2
1 961 . 1 1 A 82 82 ILE H H 82 7.507 8.147 -0.640 2
1 962 . 1 1 A 82 82 ILE CA C 82 58.810 58.127 0.683 2
1 963 . 1 1 A 82 82 ILE HA H 82 4.285 4.363 -0.078 2
1 964 . 1 1 A 82 82 ILE CB C 82 39.376 39.193 0.183 2
1 977 . 1 1 A 82 82 ILE C C 82 172.836 174.858 -2.022 2
1 978 . 1 1 A 83 83 PRO CA C 83 60.989 62.068 -1.079 2
1 979 . 1 1 A 83 83 PRO HA H 83 4.589 4.714 -0.125 2
1 980 . 1 1 A 83 83 PRO CB C 83 31.107 32.231 -1.124 2
1 989 . 1 1 A 84 84 PRO CA C 84 62.860 62.503 0.357 2
1 990 . 1 1 A 84 84 PRO HA H 84 4.405 4.502 -0.097 2
1 991 . 1 1 A 84 84 PRO CB C 84 32.638 32.052 0.586 2
1 1000 . 1 1 A 84 84 PRO C C 84 177.894 177.099 0.795 2
1 1001 . 1 1 A 85 85 VAL N N 85 114.062 117.124 -3.062 2
1 1002 . 1 1 A 85 85 VAL H H 85 6.621 7.814 -1.193 2
1 1003 . 1 1 A 85 85 VAL CA C 85 61.000 63.562 -2.562 2
1 1004 . 1 1 A 85 85 VAL HA H 85 4.080 3.924 0.156 2
1 1005 . 1 1 A 85 85 VAL CB C 85 32.725 32.155 0.570 2
1 1015 . 1 1 A 85 85 VAL C C 85 174.315 175.601 -1.286 2
1 1016 . 1 1 A 86 86 THR N N 86 114.774 114.429 0.345 2
1 1017 . 1 1 A 86 86 THR H H 86 6.827 7.298 -0.471 2
1 1018 . 1 1 A 86 86 THR CA C 86 59.336 59.497 -0.161 2
1 1019 . 1 1 A 86 86 THR HA H 86 4.442 4.679 -0.237 2
1 1020 . 1 1 A 86 86 THR CB C 86 68.016 71.718 -3.702 2
1 1026 . 1 1 A 86 86 THR C C 86 172.724 172.375 0.349 2
1 1027 . 1 1 A 87 87 THR N N 87 109.655 115.939 -6.284 2
1 1028 . 1 1 A 87 87 THR H H 87 8.313 8.515 -0.202 2
1 1029 . 1 1 A 87 87 THR CA C 87 59.870 60.243 -0.373 2
1 1030 . 1 1 A 87 87 THR HA H 87 5.000 4.702 0.298 2
1 1031 . 1 1 A 87 87 THR CB C 87 72.527 70.557 1.970 2
1 1037 . 1 1 A 87 87 THR C C 87 176.440 175.767 0.673 2
1 1038 . 1 1 A 88 88 GLY N N 88 110.531 110.647 -0.116 2
1 1039 . 1 1 A 88 88 GLY H H 88 9.655 9.054 0.601 2
1 1040 . 1 1 A 88 88 GLY CA C 88 49.124 47.655 1.469 2
1 1041 . 1 1 A 88 88 GLY HA2 H 88 4.115 3.969 0.146 2
1 1042 . 1 1 A 88 88 GLY HA3 H 88 3.755 4.071 -0.316 2
1 1043 . 1 1 A 88 88 GLY C C 88 175.154 175.845 -0.691 2
1 1044 . 1 1 A 89 89 LYS N N 89 119.606 121.754 -2.148 2
1 1045 . 1 1 A 89 89 LYS H H 89 8.542 8.135 0.407 2
1 1046 . 1 1 A 89 89 LYS CA C 89 59.687 59.591 0.096 2
1 1047 . 1 1 A 89 89 LYS HA H 89 4.030 3.990 0.040 2
1 1048 . 1 1 A 89 89 LYS CB C 89 32.733 32.348 0.385 2
1 1060 . 1 1 A 89 89 LYS C C 89 178.921 179.105 -0.184 2
1 1061 . 1 1 A 90 90 GLU N N 90 118.992 119.438 -0.446 2
1 1062 . 1 1 A 90 90 GLU H H 90 7.610 7.899 -0.289 2
1 1063 . 1 1 A 90 90 GLU CA C 90 59.238 59.475 -0.237 2
1 1064 . 1 1 A 90 90 GLU HA H 90 4.008 4.080 -0.072 2
1 1065 . 1 1 A 90 90 GLU CB C 90 29.946 29.206 0.740 2
1 1071 . 1 1 A 90 90 GLU C C 90 179.366 178.694 0.672 2
1 1072 . 1 1 A 91 91 MET N N 91 120.109 119.290 0.819 2
1 1073 . 1 1 A 91 91 MET H H 91 8.468 8.502 -0.034 2
1 1074 . 1 1 A 91 91 MET CA C 91 57.606 58.566 -0.960 2
1 1075 . 1 1 A 91 91 MET HA H 91 4.355 4.082 0.273 2
1 1076 . 1 1 A 91 91 MET CB C 91 32.364 32.358 0.006 2
1 1086 . 1 1 A 91 91 MET C C 91 177.168 178.183 -1.015 2
1 1087 . 1 1 A 92 92 ALA N N 92 115.912 121.907 -5.995 2
1 1088 . 1 1 A 92 92 ALA H H 92 7.876 7.946 -0.070 2
1 1089 . 1 1 A 92 92 ALA CA C 92 53.278 54.866 -1.588 2
1 1090 . 1 1 A 92 92 ALA HA H 92 4.316 4.282 0.034 2
1 1091 . 1 1 A 92 92 ALA CB C 92 20.275 18.539 1.736 2
1 1095 . 1 1 A 92 92 ALA C C 92 178.672 179.481 -0.809 2
1 1096 . 1 1 A 93 93 SER N N 93 111.760 113.203 -1.443 2
1 1097 . 1 1 A 93 93 SER H H 93 7.431 8.186 -0.755 2
1 1098 . 1 1 A 93 93 SER CA C 93 58.584 61.911 -3.327 2
1 1099 . 1 1 A 93 93 SER HA H 93 4.471 4.171 0.300 2
1 1100 . 1 1 A 93 93 SER CB C 93 64.582 63.027 1.555 2
1 1103 . 1 1 A 93 93 SER C C 93 173.576 175.835 -2.259 2
1 1104 . 1 1 A 94 94 ALA N N 94 123.381 122.064 1.317 2
1 1105 . 1 1 A 94 94 ALA H H 94 7.903 7.910 -0.007 2
1 1106 . 1 1 A 94 94 ALA CA C 94 52.760 53.068 -0.308 2
1 1107 . 1 1 A 94 94 ALA HA H 94 4.267 4.139 0.128 2
1 1108 . 1 1 A 94 94 ALA CB C 94 18.364 19.271 -0.907 2
1 1112 . 1 1 A 94 94 ALA C C 94 177.611 178.106 -0.495 2
1 1113 . 1 1 A 95 95 GLN N N 95 120.874 124.252 -3.378 2
1 1114 . 1 1 A 95 95 GLN H H 95 8.305 8.688 -0.384 2
1 1115 . 1 1 A 95 95 GLN CA C 95 56.821 58.797 -1.976 2
1 1116 . 1 1 A 95 95 GLN HA H 95 4.185 4.126 0.059 2
1 1117 . 1 1 A 95 95 GLN CB C 95 29.052 28.705 0.347 2
1 1126 . 1 1 A 95 95 GLN C C 95 175.975 175.875 0.100 2
1 1127 . 1 1 A 96 96 GLU N N 96 120.251 118.665 1.585 2
1 1128 . 1 1 A 96 96 GLU H H 96 8.402 7.953 0.449 2
1 1129 . 1 1 A 96 96 GLU CA C 96 54.378 53.072 1.306 2
1 1130 . 1 1 A 96 96 GLU HA H 96 4.537 4.733 -0.196 2
1 1131 . 1 1 A 96 96 GLU CB C 96 30.216 31.143 -0.927 2
1 1137 . 1 1 A 96 96 GLU C C 96 173.618 174.203 -0.585 2
1 1138 . 1 1 A 97 97 PRO CA C 97 62.763 62.327 0.436 2
1 1139 . 1 1 A 97 97 PRO HA H 97 4.362 4.619 -0.257 2
1 1140 . 1 1 A 97 97 PRO CB C 97 32.356 32.845 -0.489 2
1 1149 . 1 1 A 97 97 PRO C C 97 174.841 175.659 -0.818 2
1 1150 . 1 1 A 98 98 ASP N N 98 120.272 121.134 -0.862 2
1 1151 . 1 1 A 98 98 ASP H H 98 8.396 8.637 -0.241 2
1 1152 . 1 1 A 98 98 ASP CA C 98 54.555 53.999 0.556 2
1 1153 . 1 1 A 98 98 ASP HA H 98 4.409 4.671 -0.262 2
1 1154 . 1 1 A 98 98 ASP CB C 98 42.248 40.951 1.297 2
1 1157 . 1 1 A 98 98 ASP C C 98 176.253 177.042 -0.789 2
1 1158 . 1 1 A 99 99 LYS N N 99 126.808 125.362 1.446 2
1 1159 . 1 1 A 99 99 LYS H H 99 8.454 8.672 -0.218 2
1 1160 . 1 1 A 99 99 LYS CA C 99 60.158 59.514 0.644 2
1 1161 . 1 1 A 99 99 LYS HA H 99 3.705 3.945 -0.240 2
1 1162 . 1 1 A 99 99 LYS CB C 99 32.832 32.201 0.631 2
1 1174 . 1 1 A 99 99 LYS C C 99 177.621 178.375 -0.754 2
1 1175 . 1 1 A 100 100 LEU N N 100 118.450 121.159 -2.709 2
1 1176 . 1 1 A 100 100 LEU H H 100 8.160 7.988 0.172 2
1 1177 . 1 1 A 100 100 LEU CA C 100 58.094 57.954 0.140 2
1 1178 . 1 1 A 100 100 LEU HA H 100 4.020 3.946 0.075 2
1 1179 . 1 1 A 100 100 LEU CB C 100 40.800 41.792 -0.992 2
1 1192 . 1 1 A 100 100 LEU C C 100 179.776 178.607 1.169 2
1 1193 . 1 1 A 101 101 SER N N 101 115.644 113.795 1.849 2
1 1194 . 1 1 A 101 101 SER H H 101 8.047 8.210 -0.163 2
1 1195 . 1 1 A 101 101 SER CA C 101 61.765 61.750 0.015 2
1 1196 . 1 1 A 101 101 SER HA H 101 4.174 4.112 0.062 2
1 1197 . 1 1 A 101 101 SER CB C 101 62.609 62.922 -0.313 2
1 1200 . 1 1 A 101 101 SER C C 101 176.476 176.788 -0.312 2
1 1201 . 1 1 A 102 102 MET N N 102 120.653 119.771 0.882 2
1 1202 . 1 1 A 102 102 MET H H 102 8.027 7.912 0.115 2
1 1203 . 1 1 A 102 102 MET CA C 102 56.380 58.314 -1.934 2
1 1204 . 1 1 A 102 102 MET HA H 102 4.508 4.187 0.321 2
1 1205 . 1 1 A 102 102 MET CB C 102 30.731 33.001 -2.270 2
1 1215 . 1 1 A 102 102 MET C C 102 178.903 178.472 0.431 2
1 1216 . 1 1 A 103 103 VAL N N 103 119.836 119.685 0.151 2
1 1217 . 1 1 A 103 103 VAL H H 103 8.556 8.173 0.383 2
1 1218 . 1 1 A 103 103 VAL CA C 103 67.049 66.667 0.382 2
1 1219 . 1 1 A 103 103 VAL HA H 103 3.370 3.501 -0.131 2
1 1220 . 1 1 A 103 103 VAL CB C 103 31.583 31.490 0.093 2
1 1230 . 1 1 A 103 103 VAL C C 103 179.225 177.863 1.362 2
1 1231 . 1 1 A 104 104 MET N N 104 120.390 118.956 1.434 2
1 1232 . 1 1 A 104 104 MET H H 104 8.112 8.684 -0.572 2
1 1233 . 1 1 A 104 104 MET CA C 104 58.991 58.412 0.579 2
1 1234 . 1 1 A 104 104 MET HA H 104 4.047 4.216 -0.169 2
1 1235 . 1 1 A 104 104 MET CB C 104 31.979 32.320 -0.341 2
1 1245 . 1 1 A 104 104 MET C C 104 178.210 178.095 0.115 2
1 1246 . 1 1 A 105 105 TYR N N 105 120.956 122.143 -1.187 2
1 1247 . 1 1 A 105 105 TYR H H 105 8.185 7.897 0.288 2
1 1248 . 1 1 A 105 105 TYR CA C 105 61.449 61.554 -0.105 2
1 1249 . 1 1 A 105 105 TYR HA H 105 4.317 4.170 0.147 2
1 1250 . 1 1 A 105 105 TYR CB C 105 40.259 38.683 1.576 2
1 1261 . 1 1 A 105 105 TYR C C 105 177.805 177.345 0.460 2
1 1262 . 1 1 A 106 106 LEU N N 106 116.468 120.793 -4.325 2
1 1263 . 1 1 A 106 106 LEU H H 106 9.088 8.696 0.392 2
1 1264 . 1 1 A 106 106 LEU CA C 106 57.744 57.992 -0.248 2
1 1265 . 1 1 A 106 106 LEU HA H 106 4.139 4.009 0.130 2
1 1266 . 1 1 A 106 106 LEU CB C 106 42.285 41.356 0.929 2
1 1279 . 1 1 A 106 106 LEU C C 106 180.758 178.948 1.810 2
1 1280 . 1 1 A 107 107 SER N N 107 114.570 113.749 0.821 2
1 1281 . 1 1 A 107 107 SER H H 107 8.338 8.258 0.080 2
1 1282 . 1 1 A 107 107 SER CA C 107 63.030 61.868 1.162 2
1 1283 . 1 1 A 107 107 SER HA H 107 4.016 4.071 -0.055 2
1 1284 . 1 1 A 107 107 SER CB C 107 62.866 62.804 0.062 2
1 1287 . 1 1 A 107 107 SER C C 107 175.377 176.834 -1.457 2
1 1288 . 1 1 A 108 108 LYS N N 108 120.221 121.009 -0.788 2
1 1289 . 1 1 A 108 108 LYS H H 108 7.522 7.812 -0.290 2
1 1290 . 1 1 A 108 108 LYS CA C 108 58.870 58.939 -0.069 2
1 1291 . 1 1 A 108 108 LYS HA H 108 3.910 3.822 0.088 2
1 1292 . 1 1 A 108 108 LYS CB C 108 31.719 31.867 -0.148 2
1 1304 . 1 1 A 108 108 LYS C C 108 179.587 179.225 0.362 2
1 1305 . 1 1 A 109 109 PHE N N 109 118.900 119.328 -0.428 2
1 1306 . 1 1 A 109 109 PHE H H 109 7.282 7.814 -0.532 2
1 1307 . 1 1 A 109 109 PHE CA C 109 61.501 60.403 1.098 2
1 1308 . 1 1 A 109 109 PHE HA H 109 3.550 4.040 -0.490 2
1 1309 . 1 1 A 109 109 PHE CB C 109 38.201 38.641 -0.440 2
1 1322 . 1 1 A 109 109 PHE C C 109 176.181 177.887 -1.706 2
1 1323 . 1 1 A 110 110 TYR N N 110 120.089 119.450 0.639 2
1 1324 . 1 1 A 110 110 TYR H H 110 7.417 8.274 -0.857 2
1 1325 . 1 1 A 110 110 TYR CA C 110 60.263 61.590 -1.327 2
1 1326 . 1 1 A 110 110 TYR HA H 110 2.584 3.126 -0.542 2
1 1327 . 1 1 A 110 110 TYR CB C 110 38.138 38.307 -0.169 2
1 1338 . 1 1 A 110 110 TYR C C 110 176.298 177.020 -0.722 2
1 1339 . 1 1 A 111 111 GLU N N 111 115.750 118.294 -2.544 2
1 1340 . 1 1 A 111 111 GLU H H 111 7.899 8.295 -0.396 2
1 1341 . 1 1 A 111 111 GLU CA C 111 58.712 58.886 -0.174 2
1 1342 . 1 1 A 111 111 GLU HA H 111 3.528 3.705 -0.177 2
1 1343 . 1 1 A 111 111 GLU CB C 111 29.429 29.460 -0.031 2
1 1349 . 1 1 A 111 111 GLU C C 111 178.367 178.605 -0.238 2
1 1350 . 1 1 A 112 112 LEU N N 112 118.646 121.820 -3.174 2
1 1351 . 1 1 A 112 112 LEU H H 112 6.922 7.710 -0.788 2
1 1352 . 1 1 A 112 112 LEU CA C 112 57.107 58.045 -0.938 2
1 1353 . 1 1 A 112 112 LEU HA H 112 3.775 3.774 0.001 2
1 1354 . 1 1 A 112 112 LEU CB C 112 42.499 41.372 1.127 2
1 1367 . 1 1 A 112 112 LEU C C 112 178.820 178.084 0.736 2
1 1368 . 1 1 A 113 113 PHE N N 113 114.884 116.338 -1.454 2
1 1369 . 1 1 A 113 113 PHE H H 113 7.723 8.128 -0.405 2
1 1370 . 1 1 A 113 113 PHE CA C 113 57.108 60.252 -3.144 2
1 1371 . 1 1 A 113 113 PHE HA H 113 4.495 4.145 0.350 2
1 1372 . 1 1 A 113 113 PHE CB C 113 38.324 39.070 -0.746 2
1 1385 . 1 1 A 113 113 PHE C C 113 177.445 177.319 0.126 2
1 1386 . 1 1 A 114 114 ARG N N 114 119.913 118.530 1.383 2
1 1387 . 1 1 A 114 114 ARG H H 114 7.840 7.906 -0.066 2
1 1388 . 1 1 A 114 114 ARG CA C 114 57.747 57.434 0.313 2
1 1389 . 1 1 A 114 114 ARG HA H 114 4.164 4.099 0.065 2
1 1390 . 1 1 A 114 114 ARG CB C 114 28.994 29.943 -0.949 2
1 1399 . 1 1 A 114 114 ARG C C 114 177.051 176.127 0.924 2
1 1400 . 1 1 A 115 115 GLY N N 115 108.376 109.884 -1.508 2
1 1401 . 1 1 A 115 115 GLY H H 115 8.070 8.044 0.026 2
1 1402 . 1 1 A 115 115 GLY CA C 115 45.201 45.837 -0.636 2
1 1403 . 1 1 A 115 115 GLY HA2 H 115 3.873 3.994 -0.121 2
1 1404 . 1 1 A 115 115 GLY HA3 H 115 3.988 4.016 -0.028 2
1 1405 . 1 1 A 115 115 GLY C C 115 173.987 172.935 1.052 2
1 1406 . 1 1 A 116 116 THR N N 116 116.618 115.993 0.625 2
1 1407 . 1 1 A 116 116 THR H H 116 7.858 8.201 -0.343 2
1 1408 . 1 1 A 116 116 THR CA C 116 60.032 59.521 0.511 2
1 1409 . 1 1 A 116 116 THR HA H 116 4.620 4.682 -0.062 2
1 1410 . 1 1 A 116 116 THR CB C 116 70.082 70.304 -0.222 2
1 1416 . 1 1 A 116 116 THR C C 116 172.615 172.885 -0.270 2
1 1417 . 1 1 A 117 117 PRO CA C 117 63.086 62.455 0.631 2
1 1418 . 1 1 A 117 117 PRO HA H 117 4.451 4.596 -0.145 2
1 1419 . 1 1 A 117 117 PRO CB C 117 32.220 32.397 -0.177 2
1 1428 . 1 1 A 117 117 PRO C C 117 176.812 176.494 0.317 2
1 1429 . 1 1 A 118 118 LEU N N 118 122.695 120.921 1.774 2
1 1430 . 1 1 A 118 118 LEU H H 118 8.424 8.364 0.061 2
1 1431 . 1 1 A 118 118 LEU CA C 118 55.266 54.160 1.106 2
1 1432 . 1 1 A 118 118 LEU HA H 118 4.276 4.466 -0.190 2
1 1433 . 1 1 A 118 118 LEU CB C 118 42.339 42.880 -0.541 2
1 1446 . 1 1 A 118 118 LEU C C 118 177.027 176.243 0.784 2
1 1447 . 1 1 A 119 119 ARG N N 119 122.979 121.794 1.185 2
1 1448 . 1 1 A 119 119 ARG H H 119 8.250 8.521 -0.271 2
1 1449 . 1 1 A 119 119 ARG CA C 119 53.688 53.800 -0.112 2
1 1450 . 1 1 A 119 119 ARG HA H 119 4.644 4.663 -0.019 2
1 1451 . 1 1 A 119 119 ARG CB C 119 30.469 31.556 -1.087 2
1 1460 . 1 1 A 119 119 ARG C C 119 174.019 174.474 -0.455 2
1 1461 . 1 1 A 120 120 PRO CA C 120 63.366 62.568 0.798 2
1 1462 . 1 1 A 120 120 PRO HA H 120 4.440 4.669 -0.229 2
1 1463 . 1 1 A 120 120 PRO CB C 120 31.958 32.019 -0.061 2
1 1472 . 1 1 A 120 120 PRO C C 120 176.104 176.486 -0.382 2
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