data_10241_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10241
_Entry.PDB_ID 1X6B
_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 HA H 6 4.486 5.233 -0.747 1
1 3 . 1 1 1 A 6 6 SER CA C 6 58.492 57.688 0.804 1
1 4 . 1 1 1 A 6 6 SER CB C 6 64.343 64.784 -0.441 1
1 5 . 1 1 1 A 7 7 GLY H H 7 8.044 8.218 -0.174 1
1 6 . 1 1 1 A 7 7 GLY HA2 H 7 4.458 4.214 0.244 1
1 7 . 1 1 1 A 7 7 GLY HA3 H 7 3.780 4.294 -0.514 1
1 8 . 1 1 1 A 7 7 GLY C C 7 174.131 171.857 2.274 1
1 9 . 1 1 1 A 7 7 GLY CA C 7 45.458 46.195 -0.737 1
1 10 . 1 1 1 A 7 7 GLY N N 7 116.867 110.398 6.469 1
1 11 . 1 1 1 A 8 8 TRP H H 8 8.111 8.704 -0.593 1
1 12 . 1 1 1 A 8 8 TRP HA H 8 4.626 4.895 -0.269 1
1 21 . 1 1 1 A 8 8 TRP C C 8 176.673 178.092 -1.419 1
1 22 . 1 1 1 A 8 8 TRP CA C 8 57.729 57.638 0.091 1
1 23 . 1 1 1 A 8 8 TRP CB C 8 29.413 30.326 -0.913 1
1 29 . 1 1 1 A 8 8 TRP N N 8 121.258 122.573 -1.315 1
1 31 . 1 1 1 A 9 9 GLN H H 9 8.229 8.831 -0.602 1
1 32 . 1 1 1 A 9 9 GLN HA H 9 4.133 4.210 -0.077 1
1 39 . 1 1 1 A 9 9 GLN C C 9 176.147 176.202 -0.055 1
1 40 . 1 1 1 A 9 9 GLN CA C 9 56.283 58.018 -1.735 1
1 41 . 1 1 1 A 9 9 GLN CB C 9 29.125 28.324 0.801 1
1 43 . 1 1 1 A 9 9 GLN N N 9 122.756 122.255 0.501 1
1 45 . 1 1 1 A 10 10 GLY H H 10 7.500 7.688 -0.188 1
1 46 . 1 1 1 A 10 10 GLY HA2 H 10 3.744 4.014 -0.270 1
1 47 . 1 1 1 A 10 10 GLY HA3 H 10 3.714 4.027 -0.313 1
1 48 . 1 1 1 A 10 10 GLY C C 10 174.092 175.136 -1.044 1
1 49 . 1 1 1 A 10 10 GLY CA C 10 45.335 45.798 -0.463 1
1 50 . 1 1 1 A 10 10 GLY N N 10 108.221 107.494 0.727 1
1 51 . 1 1 1 A 11 11 LEU H H 11 8.029 8.054 -0.025 1
1 52 . 1 1 1 A 11 11 LEU HA H 11 4.368 3.928 0.440 1
1 62 . 1 1 1 A 11 11 LEU C C 11 177.808 175.371 2.437 1
1 63 . 1 1 1 A 11 11 LEU CA C 11 55.348 55.547 -0.199 1
1 64 . 1 1 1 A 11 11 LEU CB C 11 42.515 40.666 1.849 1
1 68 . 1 1 1 A 11 11 LEU N N 11 121.136 117.552 3.584 1
1 69 . 1 1 1 A 12 12 SER H H 12 8.388 7.844 0.544 1
1 70 . 1 1 1 A 12 12 SER HA H 12 4.370 4.961 -0.591 1
1 73 . 1 1 1 A 12 12 SER CA C 12 58.716 57.419 1.297 1
1 74 . 1 1 1 A 12 12 SER CB C 12 63.835 66.110 -2.275 1
1 75 . 1 1 1 A 12 12 SER N N 12 116.252 115.629 0.623 1
1 76 . 1 1 1 A 13 13 SER HA H 13 4.481 5.306 -0.825 1
1 79 . 1 1 1 A 13 13 SER C C 13 175.161 173.520 1.641 1
1 80 . 1 1 1 A 13 13 SER CA C 13 58.442 57.516 0.926 1
1 81 . 1 1 1 A 13 13 SER CB C 13 63.798 64.098 -0.300 1
1 82 . 1 1 1 A 14 14 LYS H H 14 8.372 8.610 -0.238 1
1 83 . 1 1 1 A 14 14 LYS HA H 14 4.226 5.104 -0.878 1
1 92 . 1 1 1 A 14 14 LYS C C 14 177.249 175.201 2.048 1
1 93 . 1 1 1 A 14 14 LYS CA C 14 57.303 55.192 2.111 1
1 94 . 1 1 1 A 14 14 LYS CB C 14 32.694 35.830 -3.136 1
1 98 . 1 1 1 A 14 14 LYS N N 14 123.245 123.232 0.013 1
1 99 . 1 1 1 A 15 15 GLY H H 15 8.213 8.400 -0.187 1
1 100 . 1 1 1 A 15 15 GLY HA2 H 15 3.924 4.142 -0.218 1
1 101 . 1 1 1 A 15 15 GLY HA3 H 15 3.924 4.144 -0.220 1
1 102 . 1 1 1 A 15 15 GLY C C 15 173.863 174.049 -0.186 1
1 103 . 1 1 1 A 15 15 GLY CA C 15 45.599 46.039 -0.440 1
1 104 . 1 1 1 A 15 15 GLY N N 15 107.368 106.347 1.021 1
1 105 . 1 1 1 A 16 16 ASP H H 16 8.091 8.357 -0.266 1
1 106 . 1 1 1 A 16 16 ASP HA H 16 4.711 4.818 -0.107 1
1 109 . 1 1 1 A 16 16 ASP C C 16 176.074 175.545 0.529 1
1 110 . 1 1 1 A 16 16 ASP CA C 16 54.167 53.537 0.630 1
1 111 . 1 1 1 A 16 16 ASP CB C 16 41.155 41.499 -0.344 1
1 112 . 1 1 1 A 16 16 ASP N N 16 119.368 121.990 -2.622 1
1 113 . 1 1 1 A 17 17 LEU H H 17 7.757 7.324 0.433 1
1 114 . 1 1 1 A 17 17 LEU HA H 17 4.641 4.412 0.229 1
1 124 . 1 1 1 A 17 17 LEU C C 17 174.627 174.676 -0.049 1
1 125 . 1 1 1 A 17 17 LEU CA C 17 53.286 53.824 -0.538 1
1 126 . 1 1 1 A 17 17 LEU CB C 17 41.003 41.447 -0.444 1
1 130 . 1 1 1 A 17 17 LEU N N 17 122.770 122.147 0.623 1
1 131 . 1 1 1 A 18 18 PRO HA H 18 4.619 4.831 -0.212 1
1 138 . 1 1 1 A 18 18 PRO C C 18 175.014 176.257 -1.243 1
1 139 . 1 1 1 A 18 18 PRO CA C 18 62.756 62.628 0.128 1
1 140 . 1 1 1 A 18 18 PRO CB C 18 32.631 32.825 -0.194 1
1 143 . 1 1 1 A 19 19 GLN H H 19 8.295 8.410 -0.115 1
1 144 . 1 1 1 A 19 19 GLN HA H 19 5.396 4.911 0.485 1
1 151 . 1 1 1 A 19 19 GLN C C 19 176.012 174.829 1.183 1
1 152 . 1 1 1 A 19 19 GLN CA C 19 54.094 54.187 -0.093 1
1 153 . 1 1 1 A 19 19 GLN CB C 19 32.478 32.237 0.241 1
1 155 . 1 1 1 A 19 19 GLN N N 19 117.612 120.167 -2.555 1
1 157 . 1 1 1 A 20 20 VAL H H 20 9.005 8.268 0.737 1
1 158 . 1 1 1 A 20 20 VAL HA H 20 5.133 4.712 0.421 1
1 166 . 1 1 1 A 20 20 VAL C C 20 173.875 173.820 0.055 1
1 167 . 1 1 1 A 20 20 VAL CA C 20 57.486 59.122 -1.636 1
1 168 . 1 1 1 A 20 20 VAL CB C 20 35.076 35.049 0.027 1
1 171 . 1 1 1 A 20 20 VAL N N 20 112.092 117.895 -5.803 1
1 172 . 1 1 1 A 21 21 GLU H H 21 8.901 8.357 0.544 1
1 173 . 1 1 1 A 21 21 GLU HA H 21 5.199 5.026 0.173 1
1 178 . 1 1 1 A 21 21 GLU C C 21 175.780 175.572 0.208 1
1 179 . 1 1 1 A 21 21 GLU CA C 21 53.268 55.195 -1.927 1
1 180 . 1 1 1 A 21 21 GLU CB C 21 32.997 31.291 1.706 1
1 182 . 1 1 1 A 21 21 GLU N N 21 119.970 123.603 -3.633 1
1 183 . 1 1 1 A 22 22 ILE H H 22 8.656 8.400 0.256 1
1 184 . 1 1 1 A 22 22 ILE HA H 22 4.742 4.420 0.322 1
1 194 . 1 1 1 A 22 22 ILE C C 22 179.107 178.186 0.921 1
1 195 . 1 1 1 A 22 22 ILE CA C 22 58.064 61.765 -3.701 1
1 196 . 1 1 1 A 22 22 ILE CB C 22 34.481 36.893 -2.412 1
1 200 . 1 1 1 A 22 22 ILE N N 22 125.654 128.047 -2.393 1
1 201 . 1 1 1 A 23 23 THR H H 23 9.206 8.463 0.743 1
1 202 . 1 1 1 A 23 23 THR HA H 23 4.230 4.159 0.071 1
1 207 . 1 1 1 A 23 23 THR C C 23 174.481 174.450 0.031 1
1 208 . 1 1 1 A 23 23 THR CA C 23 62.787 64.289 -1.502 1
1 209 . 1 1 1 A 23 23 THR CB C 23 68.779 68.940 -0.161 1
1 211 . 1 1 1 A 23 23 THR N N 23 122.259 119.946 2.313 1
1 212 . 1 1 1 A 24 24 LYS H H 24 7.443 7.582 -0.139 1
1 213 . 1 1 1 A 24 24 LYS HA H 24 4.332 4.850 -0.518 1
1 222 . 1 1 1 A 24 24 LYS C C 24 172.169 175.354 -3.185 1
1 223 . 1 1 1 A 24 24 LYS CA C 24 55.154 54.644 0.510 1
1 224 . 1 1 1 A 24 24 LYS CB C 24 35.137 35.426 -0.289 1
1 228 . 1 1 1 A 24 24 LYS N N 24 121.874 117.767 4.107 1
1 229 . 1 1 1 A 25 25 ALA H H 25 8.259 8.547 -0.288 1
1 230 . 1 1 1 A 25 25 ALA HA H 25 3.914 4.679 -0.765 1
1 234 . 1 1 1 A 25 25 ALA C C 25 176.411 176.690 -0.279 1
1 235 . 1 1 1 A 25 25 ALA CA C 25 53.409 52.750 0.659 1
1 236 . 1 1 1 A 25 25 ALA CB C 25 19.113 18.853 0.260 1
1 237 . 1 1 1 A 25 25 ALA N N 25 121.708 124.207 -2.499 1
1 238 . 1 1 1 A 26 26 PHE H H 26 8.058 8.678 -0.620 1
1 239 . 1 1 1 A 26 26 PHE HA H 26 4.742 4.943 -0.201 1
1 247 . 1 1 1 A 26 26 PHE C C 26 172.769 174.363 -1.594 1
1 248 . 1 1 1 A 26 26 PHE CA C 26 56.354 55.847 0.507 1
1 249 . 1 1 1 A 26 26 PHE CB C 26 42.608 40.069 2.539 1
1 255 . 1 1 1 A 26 26 PHE N N 26 121.151 122.802 -1.651 1
1 256 . 1 1 1 A 27 27 PHE H H 27 7.752 8.119 -0.367 1
1 257 . 1 1 1 A 27 27 PHE HA H 27 4.469 4.281 0.188 1
1 265 . 1 1 1 A 27 27 PHE C C 27 173.594 175.468 -1.874 1
1 266 . 1 1 1 A 27 27 PHE CA C 27 56.088 59.040 -2.952 1
1 267 . 1 1 1 A 27 27 PHE CB C 27 39.425 39.312 0.113 1
1 273 . 1 1 1 A 27 27 PHE N N 27 125.818 126.151 -0.333 1
1 274 . 1 1 1 A 28 28 ALA H H 28 8.045 8.325 -0.280 1
1 275 . 1 1 1 A 28 28 ALA HA H 28 4.002 4.003 -0.001 1
1 279 . 1 1 1 A 28 28 ALA C C 28 178.303 178.421 -0.118 1
1 280 . 1 1 1 A 28 28 ALA CA C 28 52.898 52.592 0.306 1
1 281 . 1 1 1 A 28 28 ALA CB C 28 20.853 18.858 1.995 1
1 282 . 1 1 1 A 28 28 ALA N N 28 126.105 126.810 -0.705 1
1 283 . 1 1 1 A 29 29 LYS H H 29 9.282 9.021 0.261 1
1 284 . 1 1 1 A 29 29 LYS HA H 29 4.524 4.602 -0.078 1
1 293 . 1 1 1 A 29 29 LYS C C 29 176.347 176.634 -0.287 1
1 294 . 1 1 1 A 29 29 LYS CA C 29 56.187 56.835 -0.648 1
1 295 . 1 1 1 A 29 29 LYS CB C 29 34.585 34.175 0.410 1
1 299 . 1 1 1 A 29 29 LYS N N 29 120.760 119.302 1.458 1
1 300 . 1 1 1 A 30 30 GLN H H 30 7.738 7.570 0.168 1
1 301 . 1 1 1 A 30 30 GLN HA H 30 4.657 4.474 0.183 1
1 308 . 1 1 1 A 30 30 GLN C C 30 177.059 176.419 0.640 1
1 309 . 1 1 1 A 30 30 GLN CA C 30 53.885 54.973 -1.088 1
1 310 . 1 1 1 A 30 30 GLN CB C 30 31.349 30.105 1.244 1
1 312 . 1 1 1 A 30 30 GLN N N 30 116.957 118.986 -2.029 1
1 314 . 1 1 1 A 31 31 ALA H H 31 8.719 8.345 0.374 1
1 315 . 1 1 1 A 31 31 ALA HA H 31 4.189 4.305 -0.116 1
1 319 . 1 1 1 A 31 31 ALA C C 31 177.686 177.955 -0.269 1
1 320 . 1 1 1 A 31 31 ALA CA C 31 54.960 52.895 2.065 1
1 321 . 1 1 1 A 31 31 ALA CB C 31 18.859 19.653 -0.794 1
1 322 . 1 1 1 A 31 31 ALA N N 31 122.985 123.574 -0.589 1
1 323 . 1 1 1 A 32 32 ASP H H 32 8.436 8.079 0.357 1
1 324 . 1 1 1 A 32 32 ASP HA H 32 4.904 4.838 0.066 1
1 327 . 1 1 1 A 32 32 ASP C C 32 176.845 176.620 0.225 1
1 328 . 1 1 1 A 32 32 ASP CA C 32 54.044 54.798 -0.754 1
1 329 . 1 1 1 A 32 32 ASP CB C 32 40.166 42.139 -1.973 1
1 330 . 1 1 1 A 32 32 ASP N N 32 113.224 117.973 -4.749 1
1 331 . 1 1 1 A 33 33 GLU H H 33 7.632 8.067 -0.435 1
1 332 . 1 1 1 A 33 33 GLU HA H 33 5.578 4.830 0.748 1
1 337 . 1 1 1 A 33 33 GLU C C 33 175.518 175.572 -0.054 1
1 338 . 1 1 1 A 33 33 GLU CA C 33 55.437 57.167 -1.730 1
1 339 . 1 1 1 A 33 33 GLU CB C 33 33.079 30.455 2.624 1
1 341 . 1 1 1 A 33 33 GLU N N 33 119.902 118.130 1.772 1
1 342 . 1 1 1 A 34 34 VAL H H 34 8.311 8.666 -0.355 1
1 343 . 1 1 1 A 34 34 VAL HA H 34 4.791 5.033 -0.242 1
1 351 . 1 1 1 A 34 34 VAL C C 34 171.861 174.866 -3.005 1
1 352 . 1 1 1 A 34 34 VAL CA C 34 58.152 59.705 -1.553 1
1 353 . 1 1 1 A 34 34 VAL CB C 34 35.881 34.587 1.294 1
1 356 . 1 1 1 A 34 34 VAL N N 34 119.872 121.469 -1.597 1
1 357 . 1 1 1 A 35 35 THR H H 35 8.047 8.670 -0.623 1
1 358 . 1 1 1 A 35 35 THR HA H 35 4.559 4.866 -0.307 1
1 363 . 1 1 1 A 35 35 THR C C 35 174.643 173.998 0.645 1
1 364 . 1 1 1 A 35 35 THR CA C 35 62.859 62.601 0.258 1
1 365 . 1 1 1 A 35 35 THR CB C 35 69.626 69.502 0.124 1
1 367 . 1 1 1 A 35 35 THR N N 35 123.767 122.591 1.176 1
1 368 . 1 1 1 A 36 36 LEU H H 36 9.001 8.783 0.218 1
1 369 . 1 1 1 A 36 36 LEU HA H 36 4.571 5.107 -0.536 1
1 379 . 1 1 1 A 36 36 LEU C C 36 176.087 175.806 0.281 1
1 380 . 1 1 1 A 36 36 LEU CA C 36 53.374 53.828 -0.454 1
1 381 . 1 1 1 A 36 36 LEU CB C 36 47.954 45.815 2.139 1
1 385 . 1 1 1 A 36 36 LEU N N 36 127.439 126.506 0.933 1
1 386 . 1 1 1 A 37 37 GLN H H 37 8.889 8.970 -0.081 1
1 387 . 1 1 1 A 37 37 GLN HA H 37 4.298 4.762 -0.464 1
1 394 . 1 1 1 A 37 37 GLN C C 37 175.508 174.844 0.664 1
1 395 . 1 1 1 A 37 37 GLN CA C 37 53.621 54.164 -0.543 1
1 396 . 1 1 1 A 37 37 GLN CB C 37 30.567 31.919 -1.352 1
1 398 . 1 1 1 A 37 37 GLN N N 37 121.687 120.184 1.503 1
1 400 . 1 1 1 A 38 38 GLN H H 38 8.517 8.550 -0.033 1
1 401 . 1 1 1 A 38 38 GLN HA H 38 3.378 4.098 -0.720 1
1 408 . 1 1 1 A 38 38 GLN C C 38 176.738 176.272 0.466 1
1 409 . 1 1 1 A 38 38 GLN CA C 38 58.584 56.827 1.757 1
1 410 . 1 1 1 A 38 38 GLN CB C 38 28.151 28.758 -0.607 1
1 412 . 1 1 1 A 38 38 GLN N N 38 120.664 121.884 -1.220 1
1 414 . 1 1 1 A 39 39 ALA H H 39 9.200 9.766 -0.566 1
1 415 . 1 1 1 A 39 39 ALA HA H 39 3.948 3.882 0.066 1
1 419 . 1 1 1 A 39 39 ALA C C 39 177.251 175.975 1.276 1
1 420 . 1 1 1 A 39 39 ALA CA C 39 54.731 53.079 1.652 1
1 421 . 1 1 1 A 39 39 ALA CB C 39 17.134 17.389 -0.255 1
1 422 . 1 1 1 A 39 39 ALA N N 39 123.253 123.879 -0.626 1
1 423 . 1 1 1 A 40 40 ASP H H 40 8.025 7.219 0.806 1
1 424 . 1 1 1 A 40 40 ASP HA H 40 4.498 5.079 -0.581 1
1 427 . 1 1 1 A 40 40 ASP C C 40 175.010 174.721 0.289 1
1 428 . 1 1 1 A 40 40 ASP CA C 40 56.407 53.034 3.373 1
1 429 . 1 1 1 A 40 40 ASP CB C 40 41.713 43.119 -1.406 1
1 430 . 1 1 1 A 40 40 ASP N N 40 121.075 115.795 5.280 1
1 431 . 1 1 1 A 41 41 VAL H H 41 7.518 8.300 -0.782 1
1 432 . 1 1 1 A 41 41 VAL HA H 41 5.060 4.777 0.283 1
1 440 . 1 1 1 A 41 41 VAL C C 41 176.546 175.000 1.546 1
1 441 . 1 1 1 A 41 41 VAL CA C 41 61.818 60.967 0.851 1
1 442 . 1 1 1 A 41 41 VAL CB C 41 32.997 34.865 -1.868 1
1 445 . 1 1 1 A 41 41 VAL N N 41 119.767 119.274 0.493 1
1 446 . 1 1 1 A 42 42 VAL H H 42 9.086 8.423 0.663 1
1 447 . 1 1 1 A 42 42 VAL HA H 42 4.528 4.451 0.077 1
1 455 . 1 1 1 A 42 42 VAL C C 42 173.762 174.506 -0.744 1
1 456 . 1 1 1 A 42 42 VAL CA C 42 60.363 60.527 -0.164 1
1 457 . 1 1 1 A 42 42 VAL CB C 42 35.736 35.552 0.184 1
1 460 . 1 1 1 A 42 42 VAL N N 42 129.212 126.697 2.515 1
1 461 . 1 1 1 A 43 43 LEU H H 43 8.855 8.896 -0.041 1
1 462 . 1 1 1 A 43 43 LEU HA H 43 4.651 4.733 -0.082 1
1 472 . 1 1 1 A 43 43 LEU C C 43 175.853 175.579 0.274 1
1 473 . 1 1 1 A 43 43 LEU CA C 43 54.132 54.086 0.046 1
1 474 . 1 1 1 A 43 43 LEU CB C 43 44.039 43.127 0.912 1
1 478 . 1 1 1 A 43 43 LEU N N 43 128.624 130.171 -1.547 1
1 479 . 1 1 1 A 44 44 VAL H H 44 8.835 8.978 -0.143 1
1 480 . 1 1 1 A 44 44 VAL HA H 44 3.837 4.446 -0.609 1
1 488 . 1 1 1 A 44 44 VAL C C 44 174.445 175.659 -1.214 1
1 489 . 1 1 1 A 44 44 VAL CA C 44 64.603 63.833 0.770 1
1 490 . 1 1 1 A 44 44 VAL CB C 44 32.325 32.169 0.156 1
1 493 . 1 1 1 A 44 44 VAL N N 44 126.525 127.838 -1.313 1
1 494 . 1 1 1 A 45 45 LEU H H 45 9.166 10.216 -1.050 1
1 495 . 1 1 1 A 45 45 LEU HA H 45 4.488 4.548 -0.060 1
1 505 . 1 1 1 A 45 45 LEU C C 45 177.820 176.530 1.290 1
1 506 . 1 1 1 A 45 45 LEU CA C 45 56.137 55.679 0.458 1
1 507 . 1 1 1 A 45 45 LEU CB C 45 43.957 43.710 0.247 1
1 511 . 1 1 1 A 45 45 LEU N N 45 127.543 126.830 0.713 1
1 512 . 1 1 1 A 46 46 GLN H H 46 8.074 7.579 0.495 1
1 513 . 1 1 1 A 46 46 GLN HA H 46 4.643 4.767 -0.124 1
1 520 . 1 1 1 A 46 46 GLN C C 46 173.225 174.625 -1.400 1
1 521 . 1 1 1 A 46 46 GLN CA C 46 55.277 54.396 0.881 1
1 522 . 1 1 1 A 46 46 GLN CB C 46 33.285 31.103 2.182 1
1 524 . 1 1 1 A 46 46 GLN N N 46 115.961 116.824 -0.863 1
1 526 . 1 1 1 A 47 47 GLN H H 47 8.683 9.000 -0.317 1
1 527 . 1 1 1 A 47 47 GLN HA H 47 5.194 4.795 0.399 1
1 534 . 1 1 1 A 47 47 GLN C C 47 174.366 174.656 -0.290 1
1 535 . 1 1 1 A 47 47 GLN CA C 47 55.243 55.422 -0.179 1
1 536 . 1 1 1 A 47 47 GLN CB C 47 31.473 29.692 1.781 1
1 538 . 1 1 1 A 47 47 GLN N N 47 121.742 124.206 -2.464 1
1 540 . 1 1 1 A 48 48 GLU H H 48 9.201 9.217 -0.016 1
1 541 . 1 1 1 A 48 48 GLU HA H 48 4.669 5.069 -0.400 1
1 546 . 1 1 1 A 48 48 GLU C C 48 175.622 175.278 0.344 1
1 547 . 1 1 1 A 48 48 GLU CA C 48 56.134 54.858 1.276 1
1 548 . 1 1 1 A 48 48 GLU CB C 48 33.098 32.432 0.666 1
1 550 . 1 1 1 A 48 48 GLU N N 48 124.529 125.504 -0.975 1
1 551 . 1 1 1 A 49 49 ASP H H 49 9.177 8.919 0.258 1
1 552 . 1 1 1 A 49 49 ASP HA H 49 4.424 4.256 0.168 1
1 555 . 1 1 1 A 49 49 ASP C C 49 175.771 177.055 -1.284 1
1 556 . 1 1 1 A 49 49 ASP CA C 49 56.001 56.341 -0.340 1
1 557 . 1 1 1 A 49 49 ASP CB C 49 40.478 40.572 -0.094 1
1 558 . 1 1 1 A 49 49 ASP N N 49 125.649 127.351 -1.702 1
1 559 . 1 1 1 A 50 50 GLY H H 50 8.750 8.790 -0.040 1
1 560 . 1 1 1 A 50 50 GLY HA2 H 50 4.266 4.009 0.257 1
1 561 . 1 1 1 A 50 50 GLY HA3 H 50 3.753 4.120 -0.367 1
1 562 . 1 1 1 A 50 50 GLY C C 50 174.455 173.738 0.717 1
1 563 . 1 1 1 A 50 50 GLY CA C 50 45.969 45.394 0.575 1
1 564 . 1 1 1 A 50 50 GLY N N 50 108.057 111.200 -3.143 1
1 565 . 1 1 1 A 51 51 TRP H H 51 8.427 8.904 -0.477 1
1 566 . 1 1 1 A 51 51 TRP HA H 51 4.877 5.306 -0.429 1
1 575 . 1 1 1 A 51 51 TRP C C 51 173.525 175.513 -1.988 1
1 576 . 1 1 1 A 51 51 TRP CA C 51 57.270 55.574 1.696 1
1 577 . 1 1 1 A 51 51 TRP CB C 51 32.690 34.148 -1.458 1
1 583 . 1 1 1 A 51 51 TRP N N 51 122.784 121.048 1.736 1
1 585 . 1 1 1 A 52 52 LEU H H 52 9.368 9.211 0.157 1
1 586 . 1 1 1 A 52 52 LEU HA H 52 4.987 4.854 0.133 1
1 596 . 1 1 1 A 52 52 LEU C C 52 173.005 174.309 -1.304 1
1 597 . 1 1 1 A 52 52 LEU CA C 52 52.634 52.892 -0.258 1
1 598 . 1 1 1 A 52 52 LEU CB C 52 43.833 42.810 1.023 1
1 602 . 1 1 1 A 52 52 LEU N N 52 121.750 123.113 -1.363 1
1 603 . 1 1 1 A 53 53 TYR H H 53 8.267 9.591 -1.324 1
1 604 . 1 1 1 A 53 53 TYR HA H 53 4.513 4.532 -0.019 1
1 611 . 1 1 1 A 53 53 TYR C C 53 176.111 175.187 0.924 1
1 612 . 1 1 1 A 53 53 TYR CA C 53 55.283 57.864 -2.581 1
1 613 . 1 1 1 A 53 53 TYR CB C 53 39.251 38.778 0.473 1
1 618 . 1 1 1 A 53 53 TYR N N 53 122.457 126.679 -4.222 1
1 619 . 1 1 1 A 54 54 GLY H H 54 8.238 7.827 0.411 1
1 620 . 1 1 1 A 54 54 GLY HA2 H 54 4.706 4.182 0.524 1
1 621 . 1 1 1 A 54 54 GLY HA3 H 54 3.802 4.396 -0.594 1
1 622 . 1 1 1 A 54 54 GLY C C 54 168.928 171.636 -2.708 1
1 623 . 1 1 1 A 54 54 GLY CA C 54 45.792 45.751 0.041 1
1 624 . 1 1 1 A 54 54 GLY N N 54 112.598 112.115 0.483 1
1 625 . 1 1 1 A 55 55 GLU H H 55 8.400 9.281 -0.881 1
1 626 . 1 1 1 A 55 55 GLU HA H 55 4.718 5.046 -0.328 1
1 631 . 1 1 1 A 55 55 GLU C C 55 175.540 175.503 0.037 1
1 632 . 1 1 1 A 55 55 GLU CA C 55 53.268 54.735 -1.467 1
1 633 . 1 1 1 A 55 55 GLU CB C 55 34.264 32.996 1.268 1
1 635 . 1 1 1 A 55 55 GLU N N 55 118.345 120.501 -2.156 1
1 636 . 1 1 1 A 56 56 ARG H H 56 9.654 9.131 0.523 1
1 637 . 1 1 1 A 56 56 ARG HA H 56 4.309 4.290 0.019 1
1 645 . 1 1 1 A 56 56 ARG C C 56 176.838 177.035 -0.197 1
1 646 . 1 1 1 A 56 56 ARG CA C 56 57.492 56.830 0.662 1
1 647 . 1 1 1 A 56 56 ARG CB C 56 30.854 30.876 -0.022 1
1 650 . 1 1 1 A 56 56 ARG N N 56 129.571 127.990 1.581 1
1 652 . 1 1 1 A 57 57 LEU H H 57 8.195 8.309 -0.114 1
1 653 . 1 1 1 A 57 57 LEU HA H 57 4.021 4.114 -0.093 1
1 663 . 1 1 1 A 57 57 LEU C C 57 179.671 178.773 0.898 1
1 664 . 1 1 1 A 57 57 LEU CA C 57 58.338 57.272 1.066 1
1 665 . 1 1 1 A 57 57 LEU CB C 57 41.939 41.279 0.660 1
1 669 . 1 1 1 A 57 57 LEU N N 57 129.973 127.405 2.568 1
1 670 . 1 1 1 A 58 58 ARG H H 58 8.494 8.237 0.257 1
1 671 . 1 1 1 A 58 58 ARG HA H 58 4.112 3.957 0.155 1
1 678 . 1 1 1 A 58 58 ARG C C 58 176.402 178.085 -1.683 1
1 679 . 1 1 1 A 58 58 ARG CA C 58 59.139 59.562 -0.423 1
1 680 . 1 1 1 A 58 58 ARG CB C 58 30.106 30.218 -0.112 1
1 683 . 1 1 1 A 58 58 ARG N N 58 115.005 120.860 -5.855 1
1 684 . 1 1 1 A 59 59 ASP H H 59 7.392 8.080 -0.688 1
1 685 . 1 1 1 A 59 59 ASP HA H 59 4.803 4.765 0.038 1
1 688 . 1 1 1 A 59 59 ASP C C 59 176.801 176.480 0.321 1
1 689 . 1 1 1 A 59 59 ASP CA C 59 52.827 54.088 -1.261 1
1 690 . 1 1 1 A 59 59 ASP CB C 59 42.144 42.150 -0.006 1
1 691 . 1 1 1 A 59 59 ASP N N 59 113.739 117.179 -3.440 1
1 692 . 1 1 1 A 60 60 GLY H H 60 8.435 8.297 0.138 1
1 693 . 1 1 1 A 60 60 GLY HA2 H 60 4.125 3.980 0.145 1
1 694 . 1 1 1 A 60 60 GLY HA3 H 60 3.868 3.991 -0.123 1
1 695 . 1 1 1 A 60 60 GLY C C 60 174.707 174.405 0.302 1
1 696 . 1 1 1 A 60 60 GLY CA C 60 45.917 44.946 0.971 1
1 697 . 1 1 1 A 60 60 GLY N N 60 110.642 107.591 3.051 1
1 698 . 1 1 1 A 61 61 GLU H H 61 7.527 7.911 -0.384 1
1 699 . 1 1 1 A 61 61 GLU HA H 61 4.163 4.288 -0.125 1
1 704 . 1 1 1 A 61 61 GLU C C 61 176.225 175.675 0.550 1
1 705 . 1 1 1 A 61 61 GLU CA C 61 58.222 57.337 0.885 1
1 706 . 1 1 1 A 61 61 GLU CB C 61 29.825 30.465 -0.640 1
1 708 . 1 1 1 A 61 61 GLU N N 61 123.061 121.351 1.710 1
1 709 . 1 1 1 A 62 62 THR H H 62 8.451 8.726 -0.275 1
1 710 . 1 1 1 A 62 62 THR HA H 62 5.666 5.024 0.642 1
1 715 . 1 1 1 A 62 62 THR C C 62 174.469 173.960 0.509 1
1 716 . 1 1 1 A 62 62 THR CA C 62 59.826 60.477 -0.651 1
1 717 . 1 1 1 A 62 62 THR CB C 62 72.751 69.662 3.089 1
1 719 . 1 1 1 A 62 62 THR N N 62 117.411 120.679 -3.268 1
1 720 . 1 1 1 A 63 63 GLY H H 63 7.931 8.208 -0.277 1
1 721 . 1 1 1 A 63 63 GLY HA2 H 63 4.124 4.443 -0.319 1
1 722 . 1 1 1 A 63 63 GLY HA3 H 63 3.936 4.520 -0.584 1
1 723 . 1 1 1 A 63 63 GLY C C 63 170.896 172.051 -1.155 1
1 724 . 1 1 1 A 63 63 GLY CA C 63 45.652 45.395 0.257 1
1 725 . 1 1 1 A 63 63 GLY N N 63 108.439 112.051 -3.612 1
1 726 . 1 1 1 A 64 64 TRP H H 64 9.071 9.093 -0.022 1
1 727 . 1 1 1 A 64 64 TRP HA H 64 6.061 5.667 0.394 1
1 736 . 1 1 1 A 64 64 TRP C C 64 177.395 176.239 1.156 1
1 737 . 1 1 1 A 64 64 TRP CA C 64 57.259 56.868 0.391 1
1 738 . 1 1 1 A 64 64 TRP CB C 64 31.882 30.789 1.093 1
1 744 . 1 1 1 A 64 64 TRP N N 64 119.762 120.644 -0.882 1
1 746 . 1 1 1 A 65 65 PHE H H 65 9.657 9.215 0.442 1
1 747 . 1 1 1 A 65 65 PHE HA H 65 4.823 4.908 -0.085 1
1 755 . 1 1 1 A 65 65 PHE C C 65 170.814 172.759 -1.945 1
1 756 . 1 1 1 A 65 65 PHE CA C 65 55.578 54.928 0.650 1
1 757 . 1 1 1 A 65 65 PHE CB C 65 38.245 41.689 -3.444 1
1 763 . 1 1 1 A 65 65 PHE N N 65 116.076 119.458 -3.382 1
1 764 . 1 1 1 A 66 66 PRO HA H 66 3.546 4.310 -0.764 1
1 771 . 1 1 1 A 66 66 PRO C C 66 177.963 177.725 0.238 1
1 772 . 1 1 1 A 66 66 PRO CA C 66 62.065 62.193 -0.128 1
1 773 . 1 1 1 A 66 66 PRO CB C 66 31.116 32.022 -0.906 1
1 776 . 1 1 1 A 67 67 GLU H H 67 8.081 8.598 -0.517 1
1 777 . 1 1 1 A 67 67 GLU HA H 67 3.651 4.099 -0.448 1
1 782 . 1 1 1 A 67 67 GLU C C 67 177.298 178.778 -1.480 1
1 783 . 1 1 1 A 67 67 GLU CA C 67 58.746 59.201 -0.455 1
1 784 . 1 1 1 A 67 67 GLU CB C 67 29.820 29.062 0.758 1
1 786 . 1 1 1 A 67 67 GLU N N 67 121.549 122.164 -0.615 1
1 787 . 1 1 1 A 68 68 ASP H H 68 8.456 8.157 0.299 1
1 788 . 1 1 1 A 68 68 ASP HA H 68 4.539 4.308 0.231 1
1 791 . 1 1 1 A 68 68 ASP C C 68 176.157 177.336 -1.179 1
1 792 . 1 1 1 A 68 68 ASP CA C 68 55.225 56.825 -1.600 1
1 793 . 1 1 1 A 68 68 ASP CB C 68 39.633 40.548 -0.915 1
1 794 . 1 1 1 A 68 68 ASP N N 68 113.915 120.965 -7.050 1
1 795 . 1 1 1 A 69 69 PHE H H 69 7.661 7.939 -0.278 1
1 796 . 1 1 1 A 69 69 PHE HA H 69 4.386 4.645 -0.259 1
1 803 . 1 1 1 A 69 69 PHE C C 69 173.252 174.798 -1.546 1
1 804 . 1 1 1 A 69 69 PHE CA C 69 57.758 57.286 0.472 1
1 805 . 1 1 1 A 69 69 PHE CB C 69 37.019 38.904 -1.885 1
1 810 . 1 1 1 A 69 69 PHE N N 69 119.727 116.660 3.067 1
1 811 . 1 1 1 A 70 70 ALA H H 70 7.809 8.581 -0.772 1
1 812 . 1 1 1 A 70 70 ALA HA H 70 5.256 4.925 0.331 1
1 816 . 1 1 1 A 70 70 ALA C C 70 175.703 175.166 0.537 1
1 817 . 1 1 1 A 70 70 ALA CA C 70 50.800 51.236 -0.436 1
1 818 . 1 1 1 A 70 70 ALA CB C 70 24.061 23.042 1.019 1
1 819 . 1 1 1 A 70 70 ALA N N 70 121.782 120.454 1.328 1
1 820 . 1 1 1 A 71 71 ARG H H 71 8.792 8.105 0.687 1
1 821 . 1 1 1 A 71 71 ARG HA H 71 4.828 5.059 -0.231 1
1 828 . 1 1 1 A 71 71 ARG C C 71 175.613 175.560 0.053 1
1 829 . 1 1 1 A 71 71 ARG CA C 71 54.220 54.247 -0.027 1
1 830 . 1 1 1 A 71 71 ARG CB C 71 33.286 32.663 0.623 1
1 833 . 1 1 1 A 71 71 ARG N N 71 119.543 118.121 1.422 1
1 834 . 1 1 1 A 72 72 PHE H H 72 9.194 8.931 0.263 1
1 835 . 1 1 1 A 72 72 PHE HA H 72 4.604 4.393 0.211 1
1 843 . 1 1 1 A 72 72 PHE C C 72 176.818 175.998 0.820 1
1 844 . 1 1 1 A 72 72 PHE CA C 72 59.896 59.225 0.671 1
1 845 . 1 1 1 A 72 72 PHE CB C 72 39.079 38.968 0.111 1
1 851 . 1 1 1 A 72 72 PHE N N 72 125.006 123.677 1.329 1
1 852 . 1 1 1 A 73 73 ILE H H 73 8.574 8.558 0.016 1
1 853 . 1 1 1 A 73 73 ILE HA H 73 4.390 3.954 0.436 1
1 863 . 1 1 1 A 73 73 ILE C C 73 176.086 176.569 -0.483 1
1 864 . 1 1 1 A 73 73 ILE CA C 73 61.450 63.998 -2.548 1
1 865 . 1 1 1 A 73 73 ILE CB C 73 39.508 38.385 1.123 1
1 869 . 1 1 1 A 73 73 ILE N N 73 120.816 127.451 -6.635 1
1 870 . 1 1 1 A 74 74 SER H H 74 8.329 7.917 0.412 1
1 871 . 1 1 1 A 74 74 SER HA H 74 4.626 4.890 -0.264 1
1 874 . 1 1 1 A 74 74 SER C C 74 174.223 173.524 0.699 1
1 875 . 1 1 1 A 74 74 SER CA C 74 58.169 57.710 0.459 1
1 876 . 1 1 1 A 74 74 SER CB C 74 64.370 66.248 -1.878 1
1 877 . 1 1 1 A 74 74 SER N N 74 118.251 112.269 5.982 1
1 878 . 1 1 1 A 75 75 GLY H H 75 8.372 8.459 -0.087 1
1 879 . 1 1 1 A 75 75 GLY HA2 H 75 4.149 4.161 -0.012 1
1 880 . 1 1 1 A 75 75 GLY HA3 H 75 4.149 4.214 -0.065 1
1 881 . 1 1 1 A 75 75 GLY C C 75 171.907 173.703 -1.796 1
1 882 . 1 1 1 A 75 75 GLY CA C 75 44.682 46.155 -1.473 1
1 883 . 1 1 1 A 75 75 GLY N N 75 109.951 112.162 -2.211 1
1 884 . 1 1 1 A 76 76 PRO HA H 76 4.456 4.614 -0.158 1
1 891 . 1 1 1 A 76 76 PRO CA C 76 63.394 62.531 0.863 1
1 892 . 1 1 1 A 76 76 PRO CB C 76 32.180 29.188 2.992 1
1 1 . 2 1 1 A 6 6 SER HA H 6 4.486 4.484 0.002 1
1 3 . 2 1 1 A 6 6 SER CA C 6 58.492 59.643 -1.151 1
1 4 . 2 1 1 A 6 6 SER CB C 6 64.343 62.063 2.280 1
1 5 . 2 1 1 A 7 7 GLY H H 7 8.044 8.424 -0.380 1
1 6 . 2 1 1 A 7 7 GLY HA2 H 7 4.458 4.218 0.240 1
1 7 . 2 1 1 A 7 7 GLY HA3 H 7 3.780 4.336 -0.556 1
1 8 . 2 1 1 A 7 7 GLY C C 7 174.131 173.334 0.797 1
1 9 . 2 1 1 A 7 7 GLY CA C 7 45.458 44.496 0.962 1
1 10 . 2 1 1 A 7 7 GLY N N 7 116.867 110.043 6.824 1
1 11 . 2 1 1 A 8 8 TRP H H 8 8.111 8.800 -0.689 1
1 12 . 2 1 1 A 8 8 TRP HA H 8 4.626 4.896 -0.270 1
1 21 . 2 1 1 A 8 8 TRP C C 8 176.673 175.544 1.129 1
1 22 . 2 1 1 A 8 8 TRP CA C 8 57.729 57.754 -0.025 1
1 23 . 2 1 1 A 8 8 TRP CB C 8 29.413 29.619 -0.206 1
1 29 . 2 1 1 A 8 8 TRP N N 8 121.258 121.556 -0.298 1
1 31 . 2 1 1 A 9 9 GLN H H 9 8.229 8.717 -0.488 1
1 32 . 2 1 1 A 9 9 GLN HA H 9 4.133 4.713 -0.580 1
1 39 . 2 1 1 A 9 9 GLN C C 9 176.147 175.282 0.865 1
1 40 . 2 1 1 A 9 9 GLN CA C 9 56.283 54.488 1.795 1
1 41 . 2 1 1 A 9 9 GLN CB C 9 29.125 30.135 -1.010 1
1 43 . 2 1 1 A 9 9 GLN N N 9 122.756 125.392 -2.636 1
1 45 . 2 1 1 A 10 10 GLY H H 10 7.500 8.512 -1.012 1
1 46 . 2 1 1 A 10 10 GLY HA2 H 10 3.744 4.105 -0.361 1
1 47 . 2 1 1 A 10 10 GLY HA3 H 10 3.714 4.115 -0.401 1
1 48 . 2 1 1 A 10 10 GLY C C 10 174.092 173.252 0.840 1
1 49 . 2 1 1 A 10 10 GLY CA C 10 45.335 44.684 0.651 1
1 50 . 2 1 1 A 10 10 GLY N N 10 108.221 115.377 -7.156 1
1 51 . 2 1 1 A 11 11 LEU H H 11 8.029 8.775 -0.746 1
1 52 . 2 1 1 A 11 11 LEU HA H 11 4.368 4.746 -0.378 1
1 62 . 2 1 1 A 11 11 LEU C C 11 177.808 174.945 2.863 1
1 63 . 2 1 1 A 11 11 LEU CA C 11 55.348 53.714 1.634 1
1 64 . 2 1 1 A 11 11 LEU CB C 11 42.515 42.828 -0.313 1
1 68 . 2 1 1 A 11 11 LEU N N 11 121.136 123.747 -2.611 1
1 69 . 2 1 1 A 12 12 SER H H 12 8.388 8.178 0.210 1
1 70 . 2 1 1 A 12 12 SER HA H 12 4.370 4.825 -0.455 1
1 73 . 2 1 1 A 12 12 SER CA C 12 58.716 57.441 1.275 1
1 74 . 2 1 1 A 12 12 SER CB C 12 63.835 66.440 -2.605 1
1 75 . 2 1 1 A 12 12 SER N N 12 116.252 117.270 -1.018 1
1 76 . 2 1 1 A 13 13 SER HA H 13 4.481 5.079 -0.598 1
1 79 . 2 1 1 A 13 13 SER C C 13 175.161 173.380 1.781 1
1 80 . 2 1 1 A 13 13 SER CA C 13 58.442 58.037 0.405 1
1 81 . 2 1 1 A 13 13 SER CB C 13 63.798 64.749 -0.951 1
1 82 . 2 1 1 A 14 14 LYS H H 14 8.372 8.655 -0.283 1
1 83 . 2 1 1 A 14 14 LYS HA H 14 4.226 5.010 -0.784 1
1 92 . 2 1 1 A 14 14 LYS C C 14 177.249 176.146 1.103 1
1 93 . 2 1 1 A 14 14 LYS CA C 14 57.303 54.835 2.468 1
1 94 . 2 1 1 A 14 14 LYS CB C 14 32.694 34.402 -1.708 1
1 98 . 2 1 1 A 14 14 LYS N N 14 123.245 124.333 -1.088 1
1 99 . 2 1 1 A 15 15 GLY H H 15 8.213 8.324 -0.111 1
1 100 . 2 1 1 A 15 15 GLY HA2 H 15 3.924 4.050 -0.126 1
1 101 . 2 1 1 A 15 15 GLY HA3 H 15 3.924 4.053 -0.129 1
1 102 . 2 1 1 A 15 15 GLY C C 15 173.863 174.927 -1.064 1
1 103 . 2 1 1 A 15 15 GLY CA C 15 45.599 45.749 -0.150 1
1 104 . 2 1 1 A 15 15 GLY N N 15 107.368 113.100 -5.732 1
1 105 . 2 1 1 A 16 16 ASP H H 16 8.091 8.500 -0.409 1
1 106 . 2 1 1 A 16 16 ASP HA H 16 4.711 4.422 0.289 1
1 109 . 2 1 1 A 16 16 ASP C C 16 176.074 177.168 -1.094 1
1 110 . 2 1 1 A 16 16 ASP CA C 16 54.167 56.096 -1.929 1
1 111 . 2 1 1 A 16 16 ASP CB C 16 41.155 40.891 0.264 1
1 112 . 2 1 1 A 16 16 ASP N N 16 119.368 121.444 -2.076 1
1 113 . 2 1 1 A 17 17 LEU H H 17 7.757 7.430 0.327 1
1 114 . 2 1 1 A 17 17 LEU HA H 17 4.641 4.422 0.219 1
1 124 . 2 1 1 A 17 17 LEU C C 17 174.627 174.787 -0.160 1
1 125 . 2 1 1 A 17 17 LEU CA C 17 53.286 53.706 -0.420 1
1 126 . 2 1 1 A 17 17 LEU CB C 17 41.003 40.984 0.019 1
1 130 . 2 1 1 A 17 17 LEU N N 17 122.770 122.529 0.241 1
1 131 . 2 1 1 A 18 18 PRO HA H 18 4.619 4.887 -0.268 1
1 138 . 2 1 1 A 18 18 PRO C C 18 175.014 175.712 -0.698 1
1 139 . 2 1 1 A 18 18 PRO CA C 18 62.756 62.558 0.198 1
1 140 . 2 1 1 A 18 18 PRO CB C 18 32.631 33.131 -0.500 1
1 143 . 2 1 1 A 19 19 GLN H H 19 8.295 8.528 -0.233 1
1 144 . 2 1 1 A 19 19 GLN HA H 19 5.396 4.854 0.542 1
1 151 . 2 1 1 A 19 19 GLN C C 19 176.012 174.494 1.518 1
1 152 . 2 1 1 A 19 19 GLN CA C 19 54.094 54.190 -0.096 1
1 153 . 2 1 1 A 19 19 GLN CB C 19 32.478 33.184 -0.706 1
1 155 . 2 1 1 A 19 19 GLN N N 19 117.612 118.858 -1.246 1
1 157 . 2 1 1 A 20 20 VAL H H 20 9.005 8.139 0.866 1
1 158 . 2 1 1 A 20 20 VAL HA H 20 5.133 4.784 0.349 1
1 166 . 2 1 1 A 20 20 VAL C C 20 173.875 173.679 0.196 1
1 167 . 2 1 1 A 20 20 VAL CA C 20 57.486 59.219 -1.733 1
1 168 . 2 1 1 A 20 20 VAL CB C 20 35.076 35.489 -0.413 1
1 171 . 2 1 1 A 20 20 VAL N N 20 112.092 117.681 -5.589 1
1 172 . 2 1 1 A 21 21 GLU H H 21 8.901 8.457 0.444 1
1 173 . 2 1 1 A 21 21 GLU HA H 21 5.199 5.012 0.187 1
1 178 . 2 1 1 A 21 21 GLU C C 21 175.780 175.692 0.088 1
1 179 . 2 1 1 A 21 21 GLU CA C 21 53.268 55.121 -1.853 1
1 180 . 2 1 1 A 21 21 GLU CB C 21 32.997 31.439 1.558 1
1 182 . 2 1 1 A 21 21 GLU N N 21 119.970 123.417 -3.447 1
1 183 . 2 1 1 A 22 22 ILE H H 22 8.656 9.280 -0.624 1
1 184 . 2 1 1 A 22 22 ILE HA H 22 4.742 4.340 0.402 1
1 194 . 2 1 1 A 22 22 ILE C C 22 179.107 177.919 1.188 1
1 195 . 2 1 1 A 22 22 ILE CA C 22 58.064 61.860 -3.796 1
1 196 . 2 1 1 A 22 22 ILE CB C 22 34.481 37.076 -2.595 1
1 200 . 2 1 1 A 22 22 ILE N N 22 125.654 128.023 -2.369 1
1 201 . 2 1 1 A 23 23 THR H H 23 9.206 8.630 0.576 1
1 202 . 2 1 1 A 23 23 THR HA H 23 4.230 4.193 0.037 1
1 207 . 2 1 1 A 23 23 THR C C 23 174.481 174.451 0.030 1
1 208 . 2 1 1 A 23 23 THR CA C 23 62.787 64.018 -1.231 1
1 209 . 2 1 1 A 23 23 THR CB C 23 68.779 69.030 -0.251 1
1 211 . 2 1 1 A 23 23 THR N N 23 122.259 119.657 2.602 1
1 212 . 2 1 1 A 24 24 LYS H H 24 7.443 7.703 -0.260 1
1 213 . 2 1 1 A 24 24 LYS HA H 24 4.332 4.901 -0.569 1
1 222 . 2 1 1 A 24 24 LYS C C 24 172.169 175.469 -3.300 1
1 223 . 2 1 1 A 24 24 LYS CA C 24 55.154 54.716 0.438 1
1 224 . 2 1 1 A 24 24 LYS CB C 24 35.137 35.374 -0.237 1
1 228 . 2 1 1 A 24 24 LYS N N 24 121.874 118.068 3.806 1
1 229 . 2 1 1 A 25 25 ALA H H 25 8.259 8.642 -0.383 1
1 230 . 2 1 1 A 25 25 ALA HA H 25 3.914 4.334 -0.420 1
1 234 . 2 1 1 A 25 25 ALA C C 25 176.411 176.823 -0.412 1
1 235 . 2 1 1 A 25 25 ALA CA C 25 53.409 52.882 0.527 1
1 236 . 2 1 1 A 25 25 ALA CB C 25 19.113 19.004 0.109 1
1 237 . 2 1 1 A 25 25 ALA N N 25 121.708 124.572 -2.864 1
1 238 . 2 1 1 A 26 26 PHE H H 26 8.058 8.267 -0.209 1
1 239 . 2 1 1 A 26 26 PHE HA H 26 4.742 5.047 -0.305 1
1 247 . 2 1 1 A 26 26 PHE C C 26 172.769 174.377 -1.608 1
1 248 . 2 1 1 A 26 26 PHE CA C 26 56.354 55.798 0.556 1
1 249 . 2 1 1 A 26 26 PHE CB C 26 42.608 39.949 2.659 1
1 255 . 2 1 1 A 26 26 PHE N N 26 121.151 123.139 -1.988 1
1 256 . 2 1 1 A 27 27 PHE H H 27 7.752 8.685 -0.933 1
1 257 . 2 1 1 A 27 27 PHE HA H 27 4.469 4.295 0.174 1
1 265 . 2 1 1 A 27 27 PHE C C 27 173.594 175.422 -1.828 1
1 266 . 2 1 1 A 27 27 PHE CA C 27 56.088 59.170 -3.082 1
1 267 . 2 1 1 A 27 27 PHE CB C 27 39.425 39.081 0.344 1
1 273 . 2 1 1 A 27 27 PHE N N 27 125.818 125.992 -0.174 1
1 274 . 2 1 1 A 28 28 ALA H H 28 8.045 8.225 -0.180 1
1 275 . 2 1 1 A 28 28 ALA HA H 28 4.002 3.953 0.049 1
1 279 . 2 1 1 A 28 28 ALA C C 28 178.303 178.450 -0.147 1
1 280 . 2 1 1 A 28 28 ALA CA C 28 52.898 52.550 0.348 1
1 281 . 2 1 1 A 28 28 ALA CB C 28 20.853 18.961 1.892 1
1 282 . 2 1 1 A 28 28 ALA N N 28 126.105 127.385 -1.280 1
1 283 . 2 1 1 A 29 29 LYS H H 29 9.282 9.683 -0.401 1
1 284 . 2 1 1 A 29 29 LYS HA H 29 4.524 4.628 -0.104 1
1 293 . 2 1 1 A 29 29 LYS C C 29 176.347 176.362 -0.015 1
1 294 . 2 1 1 A 29 29 LYS CA C 29 56.187 56.696 -0.509 1
1 295 . 2 1 1 A 29 29 LYS CB C 29 34.585 34.268 0.317 1
1 299 . 2 1 1 A 29 29 LYS N N 29 120.760 119.492 1.268 1
1 300 . 2 1 1 A 30 30 GLN H H 30 7.738 7.829 -0.091 1
1 301 . 2 1 1 A 30 30 GLN HA H 30 4.657 4.564 0.093 1
1 308 . 2 1 1 A 30 30 GLN C C 30 177.059 176.326 0.733 1
1 309 . 2 1 1 A 30 30 GLN CA C 30 53.885 54.444 -0.559 1
1 310 . 2 1 1 A 30 30 GLN CB C 30 31.349 29.945 1.404 1
1 312 . 2 1 1 A 30 30 GLN N N 30 116.957 118.966 -2.009 1
1 314 . 2 1 1 A 31 31 ALA H H 31 8.719 8.452 0.267 1
1 315 . 2 1 1 A 31 31 ALA HA H 31 4.189 4.252 -0.063 1
1 319 . 2 1 1 A 31 31 ALA C C 31 177.686 178.095 -0.409 1
1 320 . 2 1 1 A 31 31 ALA CA C 31 54.960 53.228 1.732 1
1 321 . 2 1 1 A 31 31 ALA CB C 31 18.859 19.079 -0.220 1
1 322 . 2 1 1 A 31 31 ALA N N 31 122.985 123.538 -0.553 1
1 323 . 2 1 1 A 32 32 ASP H H 32 8.436 8.345 0.091 1
1 324 . 2 1 1 A 32 32 ASP HA H 32 4.904 4.779 0.125 1
1 327 . 2 1 1 A 32 32 ASP C C 32 176.845 176.416 0.429 1
1 328 . 2 1 1 A 32 32 ASP CA C 32 54.044 54.192 -0.148 1
1 329 . 2 1 1 A 32 32 ASP CB C 32 40.166 41.343 -1.177 1
1 330 . 2 1 1 A 32 32 ASP N N 32 113.224 116.463 -3.239 1
1 331 . 2 1 1 A 33 33 GLU H H 33 7.632 8.054 -0.422 1
1 332 . 2 1 1 A 33 33 GLU HA H 33 5.578 4.995 0.583 1
1 337 . 2 1 1 A 33 33 GLU C C 33 175.518 175.511 0.007 1
1 338 . 2 1 1 A 33 33 GLU CA C 33 55.437 55.773 -0.336 1
1 339 . 2 1 1 A 33 33 GLU CB C 33 33.079 31.420 1.659 1
1 341 . 2 1 1 A 33 33 GLU N N 33 119.902 120.232 -0.330 1
1 342 . 2 1 1 A 34 34 VAL H H 34 8.311 9.000 -0.689 1
1 343 . 2 1 1 A 34 34 VAL HA H 34 4.791 4.857 -0.066 1
1 351 . 2 1 1 A 34 34 VAL C C 34 171.861 174.435 -2.574 1
1 352 . 2 1 1 A 34 34 VAL CA C 34 58.152 60.190 -2.038 1
1 353 . 2 1 1 A 34 34 VAL CB C 34 35.881 35.875 0.006 1
1 356 . 2 1 1 A 34 34 VAL N N 34 119.872 120.930 -1.058 1
1 357 . 2 1 1 A 35 35 THR H H 35 8.047 8.613 -0.566 1
1 358 . 2 1 1 A 35 35 THR HA H 35 4.559 4.834 -0.275 1
1 363 . 2 1 1 A 35 35 THR C C 35 174.643 174.059 0.584 1
1 364 . 2 1 1 A 35 35 THR CA C 35 62.859 62.480 0.379 1
1 365 . 2 1 1 A 35 35 THR CB C 35 69.626 69.426 0.200 1
1 367 . 2 1 1 A 35 35 THR N N 35 123.767 122.717 1.050 1
1 368 . 2 1 1 A 36 36 LEU H H 36 9.001 8.492 0.509 1
1 369 . 2 1 1 A 36 36 LEU HA H 36 4.571 4.991 -0.420 1
1 379 . 2 1 1 A 36 36 LEU C C 36 176.087 175.761 0.326 1
1 380 . 2 1 1 A 36 36 LEU CA C 36 53.374 53.626 -0.252 1
1 381 . 2 1 1 A 36 36 LEU CB C 36 47.954 46.445 1.509 1
1 385 . 2 1 1 A 36 36 LEU N N 36 127.439 125.926 1.513 1
1 386 . 2 1 1 A 37 37 GLN H H 37 8.889 9.106 -0.217 1
1 387 . 2 1 1 A 37 37 GLN HA H 37 4.298 4.763 -0.465 1
1 394 . 2 1 1 A 37 37 GLN C C 37 175.508 175.007 0.501 1
1 395 . 2 1 1 A 37 37 GLN CA C 37 53.621 53.716 -0.095 1
1 396 . 2 1 1 A 37 37 GLN CB C 37 30.567 32.215 -1.648 1
1 398 . 2 1 1 A 37 37 GLN N N 37 121.687 119.825 1.862 1
1 400 . 2 1 1 A 38 38 GLN H H 38 8.517 8.534 -0.017 1
1 401 . 2 1 1 A 38 38 GLN HA H 38 3.378 3.905 -0.527 1
1 408 . 2 1 1 A 38 38 GLN C C 38 176.738 176.533 0.205 1
1 409 . 2 1 1 A 38 38 GLN CA C 38 58.584 57.176 1.408 1
1 410 . 2 1 1 A 38 38 GLN CB C 38 28.151 28.581 -0.430 1
1 412 . 2 1 1 A 38 38 GLN N N 38 120.664 122.023 -1.359 1
1 414 . 2 1 1 A 39 39 ALA H H 39 9.200 9.780 -0.580 1
1 415 . 2 1 1 A 39 39 ALA HA H 39 3.948 3.892 0.056 1
1 419 . 2 1 1 A 39 39 ALA C C 39 177.251 175.677 1.574 1
1 420 . 2 1 1 A 39 39 ALA CA C 39 54.731 53.173 1.558 1
1 421 . 2 1 1 A 39 39 ALA CB C 39 17.134 17.326 -0.192 1
1 422 . 2 1 1 A 39 39 ALA N N 39 123.253 123.645 -0.392 1
1 423 . 2 1 1 A 40 40 ASP H H 40 8.025 7.304 0.721 1
1 424 . 2 1 1 A 40 40 ASP HA H 40 4.498 5.139 -0.641 1
1 427 . 2 1 1 A 40 40 ASP C C 40 175.010 175.068 -0.058 1
1 428 . 2 1 1 A 40 40 ASP CA C 40 56.407 52.927 3.480 1
1 429 . 2 1 1 A 40 40 ASP CB C 40 41.713 43.053 -1.340 1
1 430 . 2 1 1 A 40 40 ASP N N 40 121.075 116.142 4.933 1
1 431 . 2 1 1 A 41 41 VAL H H 41 7.518 8.533 -1.015 1
1 432 . 2 1 1 A 41 41 VAL HA H 41 5.060 4.572 0.488 1
1 440 . 2 1 1 A 41 41 VAL C C 41 176.546 175.339 1.207 1
1 441 . 2 1 1 A 41 41 VAL CA C 41 61.818 61.410 0.408 1
1 442 . 2 1 1 A 41 41 VAL CB C 41 32.997 33.337 -0.340 1
1 445 . 2 1 1 A 41 41 VAL N N 41 119.767 121.653 -1.886 1
1 446 . 2 1 1 A 42 42 VAL H H 42 9.086 8.343 0.743 1
1 447 . 2 1 1 A 42 42 VAL HA H 42 4.528 4.471 0.057 1
1 455 . 2 1 1 A 42 42 VAL C C 42 173.762 174.617 -0.855 1
1 456 . 2 1 1 A 42 42 VAL CA C 42 60.363 60.737 -0.374 1
1 457 . 2 1 1 A 42 42 VAL CB C 42 35.736 35.443 0.293 1
1 460 . 2 1 1 A 42 42 VAL N N 42 129.212 126.894 2.318 1
1 461 . 2 1 1 A 43 43 LEU H H 43 8.855 9.206 -0.351 1
1 462 . 2 1 1 A 43 43 LEU HA H 43 4.651 4.743 -0.092 1
1 472 . 2 1 1 A 43 43 LEU C C 43 175.853 175.584 0.269 1
1 473 . 2 1 1 A 43 43 LEU CA C 43 54.132 54.091 0.041 1
1 474 . 2 1 1 A 43 43 LEU CB C 43 44.039 43.123 0.916 1
1 478 . 2 1 1 A 43 43 LEU N N 43 128.624 130.113 -1.489 1
1 479 . 2 1 1 A 44 44 VAL H H 44 8.835 8.824 0.011 1
1 480 . 2 1 1 A 44 44 VAL HA H 44 3.837 4.496 -0.659 1
1 488 . 2 1 1 A 44 44 VAL C C 44 174.445 175.727 -1.282 1
1 489 . 2 1 1 A 44 44 VAL CA C 44 64.603 63.703 0.900 1
1 490 . 2 1 1 A 44 44 VAL CB C 44 32.325 32.191 0.134 1
1 493 . 2 1 1 A 44 44 VAL N N 44 126.525 127.855 -1.330 1
1 494 . 2 1 1 A 45 45 LEU H H 45 9.166 10.082 -0.916 1
1 495 . 2 1 1 A 45 45 LEU HA H 45 4.488 4.555 -0.067 1
1 505 . 2 1 1 A 45 45 LEU C C 45 177.820 176.559 1.261 1
1 506 . 2 1 1 A 45 45 LEU CA C 45 56.137 55.681 0.456 1
1 507 . 2 1 1 A 45 45 LEU CB C 45 43.957 43.717 0.240 1
1 511 . 2 1 1 A 45 45 LEU N N 45 127.543 126.862 0.681 1
1 512 . 2 1 1 A 46 46 GLN H H 46 8.074 7.485 0.589 1
1 513 . 2 1 1 A 46 46 GLN HA H 46 4.643 4.798 -0.155 1
1 520 . 2 1 1 A 46 46 GLN C C 46 173.225 174.595 -1.370 1
1 521 . 2 1 1 A 46 46 GLN CA C 46 55.277 54.810 0.467 1
1 522 . 2 1 1 A 46 46 GLN CB C 46 33.285 31.623 1.662 1
1 524 . 2 1 1 A 46 46 GLN N N 46 115.961 116.565 -0.604 1
1 526 . 2 1 1 A 47 47 GLN H H 47 8.683 8.989 -0.306 1
1 527 . 2 1 1 A 47 47 GLN HA H 47 5.194 4.842 0.352 1
1 534 . 2 1 1 A 47 47 GLN C C 47 174.366 174.716 -0.350 1
1 535 . 2 1 1 A 47 47 GLN CA C 47 55.243 55.261 -0.018 1
1 536 . 2 1 1 A 47 47 GLN CB C 47 31.473 29.753 1.720 1
1 538 . 2 1 1 A 47 47 GLN N N 47 121.742 123.926 -2.184 1
1 540 . 2 1 1 A 48 48 GLU H H 48 9.201 9.161 0.040 1
1 541 . 2 1 1 A 48 48 GLU HA H 48 4.669 5.040 -0.371 1
1 546 . 2 1 1 A 48 48 GLU C C 48 175.622 175.268 0.354 1
1 547 . 2 1 1 A 48 48 GLU CA C 48 56.134 54.812 1.322 1
1 548 . 2 1 1 A 48 48 GLU CB C 48 33.098 32.511 0.587 1
1 550 . 2 1 1 A 48 48 GLU N N 48 124.529 125.104 -0.575 1
1 551 . 2 1 1 A 49 49 ASP H H 49 9.177 8.816 0.361 1
1 552 . 2 1 1 A 49 49 ASP HA H 49 4.424 4.320 0.104 1
1 555 . 2 1 1 A 49 49 ASP C C 49 175.771 176.899 -1.128 1
1 556 . 2 1 1 A 49 49 ASP CA C 49 56.001 56.023 -0.022 1
1 557 . 2 1 1 A 49 49 ASP CB C 49 40.478 40.553 -0.075 1
1 558 . 2 1 1 A 49 49 ASP N N 49 125.649 128.019 -2.370 1
1 559 . 2 1 1 A 50 50 GLY H H 50 8.750 8.790 -0.040 1
1 560 . 2 1 1 A 50 50 GLY HA2 H 50 4.266 4.040 0.226 1
1 561 . 2 1 1 A 50 50 GLY HA3 H 50 3.753 4.149 -0.396 1
1 562 . 2 1 1 A 50 50 GLY C C 50 174.455 173.649 0.806 1
1 563 . 2 1 1 A 50 50 GLY CA C 50 45.969 45.441 0.528 1
1 564 . 2 1 1 A 50 50 GLY N N 50 108.057 113.330 -5.273 1
1 565 . 2 1 1 A 51 51 TRP H H 51 8.427 8.941 -0.514 1
1 566 . 2 1 1 A 51 51 TRP HA H 51 4.877 5.310 -0.433 1
1 575 . 2 1 1 A 51 51 TRP C C 51 173.525 175.493 -1.968 1
1 576 . 2 1 1 A 51 51 TRP CA C 51 57.270 55.607 1.663 1
1 577 . 2 1 1 A 51 51 TRP CB C 51 32.690 34.103 -1.413 1
1 583 . 2 1 1 A 51 51 TRP N N 51 122.784 120.752 2.032 1
1 585 . 2 1 1 A 52 52 LEU H H 52 9.368 9.083 0.285 1
1 586 . 2 1 1 A 52 52 LEU HA H 52 4.987 4.943 0.044 1
1 596 . 2 1 1 A 52 52 LEU C C 52 173.005 174.172 -1.167 1
1 597 . 2 1 1 A 52 52 LEU CA C 52 52.634 52.910 -0.276 1
1 598 . 2 1 1 A 52 52 LEU CB C 52 43.833 43.345 0.488 1
1 602 . 2 1 1 A 52 52 LEU N N 52 121.750 122.429 -0.679 1
1 603 . 2 1 1 A 53 53 TYR H H 53 8.267 9.577 -1.310 1
1 604 . 2 1 1 A 53 53 TYR HA H 53 4.513 4.554 -0.041 1
1 611 . 2 1 1 A 53 53 TYR C C 53 176.111 175.087 1.024 1
1 612 . 2 1 1 A 53 53 TYR CA C 53 55.283 57.428 -2.145 1
1 613 . 2 1 1 A 53 53 TYR CB C 53 39.251 39.051 0.200 1
1 618 . 2 1 1 A 53 53 TYR N N 53 122.457 126.416 -3.959 1
1 619 . 2 1 1 A 54 54 GLY H H 54 8.238 7.803 0.435 1
1 620 . 2 1 1 A 54 54 GLY HA2 H 54 4.706 4.150 0.556 1
1 621 . 2 1 1 A 54 54 GLY HA3 H 54 3.802 4.393 -0.591 1
1 622 . 2 1 1 A 54 54 GLY C C 54 168.928 171.486 -2.558 1
1 623 . 2 1 1 A 54 54 GLY CA C 54 45.792 45.753 0.039 1
1 624 . 2 1 1 A 54 54 GLY N N 54 112.598 111.994 0.604 1
1 625 . 2 1 1 A 55 55 GLU H H 55 8.400 9.173 -0.773 1
1 626 . 2 1 1 A 55 55 GLU HA H 55 4.718 5.157 -0.439 1
1 631 . 2 1 1 A 55 55 GLU C C 55 175.540 175.412 0.128 1
1 632 . 2 1 1 A 55 55 GLU CA C 55 53.268 54.767 -1.499 1
1 633 . 2 1 1 A 55 55 GLU CB C 55 34.264 33.162 1.102 1
1 635 . 2 1 1 A 55 55 GLU N N 55 118.345 120.501 -2.156 1
1 636 . 2 1 1 A 56 56 ARG H H 56 9.654 9.480 0.174 1
1 637 . 2 1 1 A 56 56 ARG HA H 56 4.309 4.350 -0.041 1
1 645 . 2 1 1 A 56 56 ARG C C 56 176.838 176.710 0.128 1
1 646 . 2 1 1 A 56 56 ARG CA C 56 57.492 56.668 0.824 1
1 647 . 2 1 1 A 56 56 ARG CB C 56 30.854 30.782 0.072 1
1 650 . 2 1 1 A 56 56 ARG N N 56 129.571 127.888 1.683 1
1 652 . 2 1 1 A 57 57 LEU H H 57 8.195 8.307 -0.112 1
1 653 . 2 1 1 A 57 57 LEU HA H 57 4.021 4.300 -0.279 1
1 663 . 2 1 1 A 57 57 LEU C C 57 179.671 178.882 0.789 1
1 664 . 2 1 1 A 57 57 LEU CA C 57 58.338 56.883 1.455 1
1 665 . 2 1 1 A 57 57 LEU CB C 57 41.939 41.381 0.558 1
1 669 . 2 1 1 A 57 57 LEU N N 57 129.973 127.234 2.739 1
1 670 . 2 1 1 A 58 58 ARG H H 58 8.494 8.151 0.343 1
1 671 . 2 1 1 A 58 58 ARG HA H 58 4.112 3.990 0.122 1
1 678 . 2 1 1 A 58 58 ARG C C 58 176.402 177.963 -1.561 1
1 679 . 2 1 1 A 58 58 ARG CA C 58 59.139 59.592 -0.453 1
1 680 . 2 1 1 A 58 58 ARG CB C 58 30.106 30.120 -0.014 1
1 683 . 2 1 1 A 58 58 ARG N N 58 115.005 120.966 -5.961 1
1 684 . 2 1 1 A 59 59 ASP H H 59 7.392 7.990 -0.598 1
1 685 . 2 1 1 A 59 59 ASP HA H 59 4.803 4.752 0.051 1
1 688 . 2 1 1 A 59 59 ASP C C 59 176.801 176.492 0.309 1
1 689 . 2 1 1 A 59 59 ASP CA C 59 52.827 54.022 -1.195 1
1 690 . 2 1 1 A 59 59 ASP CB C 59 42.144 41.942 0.202 1
1 691 . 2 1 1 A 59 59 ASP N N 59 113.739 117.328 -3.589 1
1 692 . 2 1 1 A 60 60 GLY H H 60 8.435 8.255 0.180 1
1 693 . 2 1 1 A 60 60 GLY HA2 H 60 4.125 3.967 0.158 1
1 694 . 2 1 1 A 60 60 GLY HA3 H 60 3.868 3.978 -0.110 1
1 695 . 2 1 1 A 60 60 GLY C C 60 174.707 174.449 0.258 1
1 696 . 2 1 1 A 60 60 GLY CA C 60 45.917 44.983 0.934 1
1 697 . 2 1 1 A 60 60 GLY N N 60 110.642 107.359 3.283 1
1 698 . 2 1 1 A 61 61 GLU H H 61 7.527 7.902 -0.375 1
1 699 . 2 1 1 A 61 61 GLU HA H 61 4.163 4.275 -0.112 1
1 704 . 2 1 1 A 61 61 GLU C C 61 176.225 175.924 0.301 1
1 705 . 2 1 1 A 61 61 GLU CA C 61 58.222 57.180 1.042 1
1 706 . 2 1 1 A 61 61 GLU CB C 61 29.825 30.354 -0.529 1
1 708 . 2 1 1 A 61 61 GLU N N 61 123.061 121.474 1.587 1
1 709 . 2 1 1 A 62 62 THR H H 62 8.451 8.728 -0.277 1
1 710 . 2 1 1 A 62 62 THR HA H 62 5.666 5.022 0.644 1
1 715 . 2 1 1 A 62 62 THR C C 62 174.469 173.971 0.498 1
1 716 . 2 1 1 A 62 62 THR CA C 62 59.826 60.481 -0.655 1
1 717 . 2 1 1 A 62 62 THR CB C 62 72.751 69.665 3.086 1
1 719 . 2 1 1 A 62 62 THR N N 62 117.411 121.446 -4.035 1
1 720 . 2 1 1 A 63 63 GLY H H 63 7.931 8.257 -0.326 1
1 721 . 2 1 1 A 63 63 GLY HA2 H 63 4.124 4.434 -0.310 1
1 722 . 2 1 1 A 63 63 GLY HA3 H 63 3.936 4.518 -0.582 1
1 723 . 2 1 1 A 63 63 GLY C C 63 170.896 171.996 -1.100 1
1 724 . 2 1 1 A 63 63 GLY CA C 63 45.652 45.374 0.278 1
1 725 . 2 1 1 A 63 63 GLY N N 63 108.439 112.374 -3.935 1
1 726 . 2 1 1 A 64 64 TRP H H 64 9.071 9.218 -0.147 1
1 727 . 2 1 1 A 64 64 TRP HA H 64 6.061 5.654 0.407 1
1 736 . 2 1 1 A 64 64 TRP C C 64 177.395 176.344 1.051 1
1 737 . 2 1 1 A 64 64 TRP CA C 64 57.259 56.850 0.409 1
1 738 . 2 1 1 A 64 64 TRP CB C 64 31.882 30.938 0.944 1
1 744 . 2 1 1 A 64 64 TRP N N 64 119.762 120.654 -0.892 1
1 746 . 2 1 1 A 65 65 PHE H H 65 9.657 9.384 0.273 1
1 747 . 2 1 1 A 65 65 PHE HA H 65 4.823 5.210 -0.387 1
1 755 . 2 1 1 A 65 65 PHE C C 65 170.814 172.955 -2.141 1
1 756 . 2 1 1 A 65 65 PHE CA C 65 55.578 54.942 0.636 1
1 757 . 2 1 1 A 65 65 PHE CB C 65 38.245 42.049 -3.804 1
1 763 . 2 1 1 A 65 65 PHE N N 65 116.076 119.715 -3.639 1
1 764 . 2 1 1 A 66 66 PRO HA H 66 3.546 4.316 -0.770 1
1 771 . 2 1 1 A 66 66 PRO C C 66 177.963 177.765 0.198 1
1 772 . 2 1 1 A 66 66 PRO CA C 66 62.065 62.249 -0.184 1
1 773 . 2 1 1 A 66 66 PRO CB C 66 31.116 32.036 -0.920 1
1 776 . 2 1 1 A 67 67 GLU H H 67 8.081 8.592 -0.511 1
1 777 . 2 1 1 A 67 67 GLU HA H 67 3.651 4.091 -0.440 1
1 782 . 2 1 1 A 67 67 GLU C C 67 177.298 178.485 -1.187 1
1 783 . 2 1 1 A 67 67 GLU CA C 67 58.746 59.212 -0.466 1
1 784 . 2 1 1 A 67 67 GLU CB C 67 29.820 29.046 0.774 1
1 786 . 2 1 1 A 67 67 GLU N N 67 121.549 122.175 -0.626 1
1 787 . 2 1 1 A 68 68 ASP H H 68 8.456 8.245 0.211 1
1 788 . 2 1 1 A 68 68 ASP HA H 68 4.539 4.284 0.255 1
1 791 . 2 1 1 A 68 68 ASP C C 68 176.157 177.292 -1.135 1
1 792 . 2 1 1 A 68 68 ASP CA C 68 55.225 56.914 -1.689 1
1 793 . 2 1 1 A 68 68 ASP CB C 68 39.633 40.465 -0.832 1
1 794 . 2 1 1 A 68 68 ASP N N 68 113.915 120.494 -6.579 1
1 795 . 2 1 1 A 69 69 PHE H H 69 7.661 7.592 0.069 1
1 796 . 2 1 1 A 69 69 PHE HA H 69 4.386 4.617 -0.231 1
1 803 . 2 1 1 A 69 69 PHE C C 69 173.252 174.482 -1.230 1
1 804 . 2 1 1 A 69 69 PHE CA C 69 57.758 57.270 0.488 1
1 805 . 2 1 1 A 69 69 PHE CB C 69 37.019 38.442 -1.423 1
1 810 . 2 1 1 A 69 69 PHE N N 69 119.727 115.853 3.874 1
1 811 . 2 1 1 A 70 70 ALA H H 70 7.809 8.085 -0.276 1
1 812 . 2 1 1 A 70 70 ALA HA H 70 5.256 4.851 0.405 1
1 816 . 2 1 1 A 70 70 ALA C C 70 175.703 175.198 0.505 1
1 817 . 2 1 1 A 70 70 ALA CA C 70 50.800 51.427 -0.627 1
1 818 . 2 1 1 A 70 70 ALA CB C 70 24.061 22.462 1.599 1
1 819 . 2 1 1 A 70 70 ALA N N 70 121.782 120.565 1.217 1
1 820 . 2 1 1 A 71 71 ARG H H 71 8.792 8.030 0.762 1
1 821 . 2 1 1 A 71 71 ARG HA H 71 4.828 5.074 -0.246 1
1 828 . 2 1 1 A 71 71 ARG C C 71 175.613 175.668 -0.055 1
1 829 . 2 1 1 A 71 71 ARG CA C 71 54.220 54.252 -0.032 1
1 830 . 2 1 1 A 71 71 ARG CB C 71 33.286 32.576 0.710 1
1 833 . 2 1 1 A 71 71 ARG N N 71 119.543 118.675 0.868 1
1 834 . 2 1 1 A 72 72 PHE H H 72 9.194 8.919 0.275 1
1 835 . 2 1 1 A 72 72 PHE HA H 72 4.604 4.395 0.209 1
1 843 . 2 1 1 A 72 72 PHE C C 72 176.818 176.017 0.801 1
1 844 . 2 1 1 A 72 72 PHE CA C 72 59.896 59.210 0.686 1
1 845 . 2 1 1 A 72 72 PHE CB C 72 39.079 38.891 0.188 1
1 851 . 2 1 1 A 72 72 PHE N N 72 125.006 123.615 1.391 1
1 852 . 2 1 1 A 73 73 ILE H H 73 8.574 8.552 0.022 1
1 853 . 2 1 1 A 73 73 ILE HA H 73 4.390 3.927 0.463 1
1 863 . 2 1 1 A 73 73 ILE C C 73 176.086 176.702 -0.616 1
1 864 . 2 1 1 A 73 73 ILE CA C 73 61.450 64.507 -3.057 1
1 865 . 2 1 1 A 73 73 ILE CB C 73 39.508 38.284 1.224 1
1 869 . 2 1 1 A 73 73 ILE N N 73 120.816 127.854 -7.038 1
1 870 . 2 1 1 A 74 74 SER H H 74 8.329 8.054 0.275 1
1 871 . 2 1 1 A 74 74 SER HA H 74 4.626 4.963 -0.337 1
1 874 . 2 1 1 A 74 74 SER C C 74 174.223 173.520 0.703 1
1 875 . 2 1 1 A 74 74 SER CA C 74 58.169 57.467 0.702 1
1 876 . 2 1 1 A 74 74 SER CB C 74 64.370 65.400 -1.030 1
1 877 . 2 1 1 A 74 74 SER N N 74 118.251 113.587 4.664 1
1 878 . 2 1 1 A 75 75 GLY H H 75 8.372 8.994 -0.622 1
1 879 . 2 1 1 A 75 75 GLY HA2 H 75 4.149 4.108 0.041 1
1 880 . 2 1 1 A 75 75 GLY HA3 H 75 4.149 4.226 -0.077 1
1 881 . 2 1 1 A 75 75 GLY C C 75 171.907 173.229 -1.322 1
1 882 . 2 1 1 A 75 75 GLY CA C 75 44.682 44.099 0.583 1
1 883 . 2 1 1 A 75 75 GLY N N 75 109.951 113.650 -3.699 1
1 884 . 2 1 1 A 76 76 PRO HA H 76 4.456 4.779 -0.323 1
1 891 . 2 1 1 A 76 76 PRO CA C 76 63.394 62.668 0.726 1
1 892 . 2 1 1 A 76 76 PRO CB C 76 32.180 31.592 0.588 1
1 1 . 3 1 1 A 6 6 SER HA H 6 4.486 4.849 -0.363 1
1 3 . 3 1 1 A 6 6 SER CA C 6 58.492 58.060 0.432 1
1 4 . 3 1 1 A 6 6 SER CB C 6 64.343 65.879 -1.536 1
1 5 . 3 1 1 A 7 7 GLY H H 7 8.044 8.411 -0.367 1
1 6 . 3 1 1 A 7 7 GLY HA2 H 7 4.458 4.176 0.282 1
1 7 . 3 1 1 A 7 7 GLY HA3 H 7 3.780 4.193 -0.413 1
1 8 . 3 1 1 A 7 7 GLY C C 7 174.131 172.724 1.407 1
1 9 . 3 1 1 A 7 7 GLY CA C 7 45.458 45.319 0.139 1
1 10 . 3 1 1 A 7 7 GLY N N 7 116.867 113.040 3.827 1
1 11 . 3 1 1 A 8 8 TRP H H 8 8.111 8.636 -0.525 1
1 12 . 3 1 1 A 8 8 TRP HA H 8 4.626 5.021 -0.395 1
1 21 . 3 1 1 A 8 8 TRP C C 8 176.673 175.205 1.468 1
1 22 . 3 1 1 A 8 8 TRP CA C 8 57.729 56.899 0.830 1
1 23 . 3 1 1 A 8 8 TRP CB C 8 29.413 30.906 -1.493 1
1 29 . 3 1 1 A 8 8 TRP N N 8 121.258 125.278 -4.020 1
1 31 . 3 1 1 A 9 9 GLN H H 9 8.229 8.557 -0.328 1
1 32 . 3 1 1 A 9 9 GLN HA H 9 4.133 4.456 -0.323 1
1 39 . 3 1 1 A 9 9 GLN C C 9 176.147 176.705 -0.558 1
1 40 . 3 1 1 A 9 9 GLN CA C 9 56.283 56.643 -0.360 1
1 41 . 3 1 1 A 9 9 GLN CB C 9 29.125 29.226 -0.101 1
1 43 . 3 1 1 A 9 9 GLN N N 9 122.756 126.553 -3.797 1
1 45 . 3 1 1 A 10 10 GLY H H 10 7.500 8.947 -1.447 1
1 46 . 3 1 1 A 10 10 GLY HA2 H 10 3.744 4.063 -0.319 1
1 47 . 3 1 1 A 10 10 GLY HA3 H 10 3.714 4.076 -0.362 1
1 48 . 3 1 1 A 10 10 GLY C C 10 174.092 173.438 0.654 1
1 49 . 3 1 1 A 10 10 GLY CA C 10 45.335 45.308 0.027 1
1 50 . 3 1 1 A 10 10 GLY N N 10 108.221 111.930 -3.709 1
1 51 . 3 1 1 A 11 11 LEU H H 11 8.029 8.130 -0.101 1
1 52 . 3 1 1 A 11 11 LEU HA H 11 4.368 4.990 -0.622 1
1 62 . 3 1 1 A 11 11 LEU C C 11 177.808 175.926 1.882 1
1 63 . 3 1 1 A 11 11 LEU CA C 11 55.348 52.986 2.362 1
1 64 . 3 1 1 A 11 11 LEU CB C 11 42.515 44.277 -1.762 1
1 68 . 3 1 1 A 11 11 LEU N N 11 121.136 125.238 -4.102 1
1 69 . 3 1 1 A 12 12 SER H H 12 8.388 9.138 -0.750 1
1 70 . 3 1 1 A 12 12 SER HA H 12 4.370 4.115 0.255 1
1 73 . 3 1 1 A 12 12 SER CA C 12 58.716 59.196 -0.480 1
1 74 . 3 1 1 A 12 12 SER CB C 12 63.835 61.751 2.084 1
1 75 . 3 1 1 A 12 12 SER N N 12 116.252 121.944 -5.692 1
1 76 . 3 1 1 A 13 13 SER HA H 13 4.481 4.731 -0.250 1
1 79 . 3 1 1 A 13 13 SER C C 13 175.161 174.079 1.082 1
1 80 . 3 1 1 A 13 13 SER CA C 13 58.442 59.429 -0.987 1
1 81 . 3 1 1 A 13 13 SER CB C 13 63.798 65.667 -1.869 1
1 82 . 3 1 1 A 14 14 LYS H H 14 8.372 7.804 0.568 1
1 83 . 3 1 1 A 14 14 LYS HA H 14 4.226 3.903 0.323 1
1 92 . 3 1 1 A 14 14 LYS C C 14 177.249 176.127 1.122 1
1 93 . 3 1 1 A 14 14 LYS CA C 14 57.303 58.139 -0.836 1
1 94 . 3 1 1 A 14 14 LYS CB C 14 32.694 32.777 -0.083 1
1 98 . 3 1 1 A 14 14 LYS N N 14 123.245 122.175 1.070 1
1 99 . 3 1 1 A 15 15 GLY H H 15 8.213 8.556 -0.343 1
1 100 . 3 1 1 A 15 15 GLY HA2 H 15 3.924 4.182 -0.258 1
1 101 . 3 1 1 A 15 15 GLY HA3 H 15 3.924 4.188 -0.264 1
1 102 . 3 1 1 A 15 15 GLY C C 15 173.863 173.897 -0.034 1
1 103 . 3 1 1 A 15 15 GLY CA C 15 45.599 44.119 1.480 1
1 104 . 3 1 1 A 15 15 GLY N N 15 107.368 112.089 -4.721 1
1 105 . 3 1 1 A 16 16 ASP H H 16 8.091 8.805 -0.714 1
1 106 . 3 1 1 A 16 16 ASP HA H 16 4.711 4.130 0.581 1
1 109 . 3 1 1 A 16 16 ASP C C 16 176.074 175.157 0.917 1
1 110 . 3 1 1 A 16 16 ASP CA C 16 54.167 54.898 -0.731 1
1 111 . 3 1 1 A 16 16 ASP CB C 16 41.155 39.276 1.879 1
1 112 . 3 1 1 A 16 16 ASP N N 16 119.368 118.913 0.455 1
1 113 . 3 1 1 A 17 17 LEU H H 17 7.757 7.937 -0.180 1
1 114 . 3 1 1 A 17 17 LEU HA H 17 4.641 4.806 -0.165 1
1 124 . 3 1 1 A 17 17 LEU C C 17 174.627 174.527 0.100 1
1 125 . 3 1 1 A 17 17 LEU CA C 17 53.286 51.862 1.424 1
1 126 . 3 1 1 A 17 17 LEU CB C 17 41.003 43.052 -2.049 1
1 130 . 3 1 1 A 17 17 LEU N N 17 122.770 119.862 2.908 1
1 131 . 3 1 1 A 18 18 PRO HA H 18 4.619 4.879 -0.260 1
1 138 . 3 1 1 A 18 18 PRO C C 18 175.014 175.656 -0.642 1
1 139 . 3 1 1 A 18 18 PRO CA C 18 62.756 62.543 0.213 1
1 140 . 3 1 1 A 18 18 PRO CB C 18 32.631 33.197 -0.566 1
1 143 . 3 1 1 A 19 19 GLN H H 19 8.295 8.466 -0.171 1
1 144 . 3 1 1 A 19 19 GLN HA H 19 5.396 4.872 0.524 1
1 151 . 3 1 1 A 19 19 GLN C C 19 176.012 174.622 1.390 1
1 152 . 3 1 1 A 19 19 GLN CA C 19 54.094 54.143 -0.049 1
1 153 . 3 1 1 A 19 19 GLN CB C 19 32.478 33.123 -0.645 1
1 155 . 3 1 1 A 19 19 GLN N N 19 117.612 118.831 -1.219 1
1 157 . 3 1 1 A 20 20 VAL H H 20 9.005 8.269 0.736 1
1 158 . 3 1 1 A 20 20 VAL HA H 20 5.133 4.718 0.415 1
1 166 . 3 1 1 A 20 20 VAL C C 20 173.875 173.533 0.342 1
1 167 . 3 1 1 A 20 20 VAL CA C 20 57.486 59.023 -1.537 1
1 168 . 3 1 1 A 20 20 VAL CB C 20 35.076 35.406 -0.330 1
1 171 . 3 1 1 A 20 20 VAL N N 20 112.092 117.823 -5.731 1
1 172 . 3 1 1 A 21 21 GLU H H 21 8.901 8.425 0.476 1
1 173 . 3 1 1 A 21 21 GLU HA H 21 5.199 4.945 0.254 1
1 178 . 3 1 1 A 21 21 GLU C C 21 175.780 175.874 -0.094 1
1 179 . 3 1 1 A 21 21 GLU CA C 21 53.268 54.708 -1.440 1
1 180 . 3 1 1 A 21 21 GLU CB C 21 32.997 31.647 1.350 1
1 182 . 3 1 1 A 21 21 GLU N N 21 119.970 123.244 -3.274 1
1 183 . 3 1 1 A 22 22 ILE H H 22 8.656 9.744 -1.088 1
1 184 . 3 1 1 A 22 22 ILE HA H 22 4.742 4.272 0.470 1
1 194 . 3 1 1 A 22 22 ILE C C 22 179.107 177.683 1.424 1
1 195 . 3 1 1 A 22 22 ILE CA C 22 58.064 62.251 -4.187 1
1 196 . 3 1 1 A 22 22 ILE CB C 22 34.481 37.764 -3.283 1
1 200 . 3 1 1 A 22 22 ILE N N 22 125.654 127.804 -2.150 1
1 201 . 3 1 1 A 23 23 THR H H 23 9.206 9.028 0.178 1
1 202 . 3 1 1 A 23 23 THR HA H 23 4.230 4.394 -0.164 1
1 207 . 3 1 1 A 23 23 THR C C 23 174.481 174.389 0.092 1
1 208 . 3 1 1 A 23 23 THR CA C 23 62.787 62.619 0.168 1
1 209 . 3 1 1 A 23 23 THR CB C 23 68.779 69.039 -0.260 1
1 211 . 3 1 1 A 23 23 THR N N 23 122.259 119.654 2.605 1
1 212 . 3 1 1 A 24 24 LYS H H 24 7.443 7.760 -0.317 1
1 213 . 3 1 1 A 24 24 LYS HA H 24 4.332 4.723 -0.391 1
1 222 . 3 1 1 A 24 24 LYS C C 24 172.169 175.147 -2.978 1
1 223 . 3 1 1 A 24 24 LYS CA C 24 55.154 55.014 0.140 1
1 224 . 3 1 1 A 24 24 LYS CB C 24 35.137 35.852 -0.715 1
1 228 . 3 1 1 A 24 24 LYS N N 24 121.874 118.211 3.663 1
1 229 . 3 1 1 A 25 25 ALA H H 25 8.259 8.634 -0.375 1
1 230 . 3 1 1 A 25 25 ALA HA H 25 3.914 4.346 -0.432 1
1 234 . 3 1 1 A 25 25 ALA C C 25 176.411 176.590 -0.179 1
1 235 . 3 1 1 A 25 25 ALA CA C 25 53.409 52.953 0.456 1
1 236 . 3 1 1 A 25 25 ALA CB C 25 19.113 19.097 0.016 1
1 237 . 3 1 1 A 25 25 ALA N N 25 121.708 124.865 -3.157 1
1 238 . 3 1 1 A 26 26 PHE H H 26 8.058 8.776 -0.718 1
1 239 . 3 1 1 A 26 26 PHE HA H 26 4.742 5.147 -0.405 1
1 247 . 3 1 1 A 26 26 PHE C C 26 172.769 174.112 -1.343 1
1 248 . 3 1 1 A 26 26 PHE CA C 26 56.354 55.516 0.838 1
1 249 . 3 1 1 A 26 26 PHE CB C 26 42.608 40.186 2.422 1
1 255 . 3 1 1 A 26 26 PHE N N 26 121.151 124.972 -3.821 1
1 256 . 3 1 1 A 27 27 PHE H H 27 7.752 8.880 -1.128 1
1 257 . 3 1 1 A 27 27 PHE HA H 27 4.469 4.380 0.089 1
1 265 . 3 1 1 A 27 27 PHE C C 27 173.594 175.454 -1.860 1
1 266 . 3 1 1 A 27 27 PHE CA C 27 56.088 57.667 -1.579 1
1 267 . 3 1 1 A 27 27 PHE CB C 27 39.425 38.301 1.124 1
1 273 . 3 1 1 A 27 27 PHE N N 27 125.818 126.488 -0.670 1
1 274 . 3 1 1 A 28 28 ALA H H 28 8.045 8.094 -0.049 1
1 275 . 3 1 1 A 28 28 ALA HA H 28 4.002 3.634 0.368 1
1 279 . 3 1 1 A 28 28 ALA C C 28 178.303 178.401 -0.098 1
1 280 . 3 1 1 A 28 28 ALA CA C 28 52.898 52.983 -0.085 1
1 281 . 3 1 1 A 28 28 ALA CB C 28 20.853 19.303 1.550 1
1 282 . 3 1 1 A 28 28 ALA N N 28 126.105 127.694 -1.589 1
1 283 . 3 1 1 A 29 29 LYS H H 29 9.282 9.630 -0.348 1
1 284 . 3 1 1 A 29 29 LYS HA H 29 4.524 4.624 -0.100 1
1 293 . 3 1 1 A 29 29 LYS C C 29 176.347 176.416 -0.069 1
1 294 . 3 1 1 A 29 29 LYS CA C 29 56.187 56.705 -0.518 1
1 295 . 3 1 1 A 29 29 LYS CB C 29 34.585 34.298 0.287 1
1 299 . 3 1 1 A 29 29 LYS N N 29 120.760 119.550 1.210 1
1 300 . 3 1 1 A 30 30 GLN H H 30 7.738 7.791 -0.053 1
1 301 . 3 1 1 A 30 30 GLN HA H 30 4.657 4.594 0.063 1
1 308 . 3 1 1 A 30 30 GLN C C 30 177.059 176.419 0.640 1
1 309 . 3 1 1 A 30 30 GLN CA C 30 53.885 54.466 -0.581 1
1 310 . 3 1 1 A 30 30 GLN CB C 30 31.349 30.398 0.951 1
1 312 . 3 1 1 A 30 30 GLN N N 30 116.957 118.939 -1.982 1
1 314 . 3 1 1 A 31 31 ALA H H 31 8.719 8.340 0.379 1
1 315 . 3 1 1 A 31 31 ALA HA H 31 4.189 4.205 -0.016 1
1 319 . 3 1 1 A 31 31 ALA C C 31 177.686 177.915 -0.229 1
1 320 . 3 1 1 A 31 31 ALA CA C 31 54.960 52.920 2.040 1
1 321 . 3 1 1 A 31 31 ALA CB C 31 18.859 19.479 -0.620 1
1 322 . 3 1 1 A 31 31 ALA N N 31 122.985 123.283 -0.298 1
1 323 . 3 1 1 A 32 32 ASP H H 32 8.436 7.890 0.546 1
1 324 . 3 1 1 A 32 32 ASP HA H 32 4.904 4.851 0.053 1
1 327 . 3 1 1 A 32 32 ASP C C 32 176.845 176.682 0.163 1
1 328 . 3 1 1 A 32 32 ASP CA C 32 54.044 54.771 -0.727 1
1 329 . 3 1 1 A 32 32 ASP CB C 32 40.166 41.899 -1.733 1
1 330 . 3 1 1 A 32 32 ASP N N 32 113.224 117.485 -4.261 1
1 331 . 3 1 1 A 33 33 GLU H H 33 7.632 8.137 -0.505 1
1 332 . 3 1 1 A 33 33 GLU HA H 33 5.578 5.162 0.416 1
1 337 . 3 1 1 A 33 33 GLU C C 33 175.518 175.377 0.141 1
1 338 . 3 1 1 A 33 33 GLU CA C 33 55.437 56.773 -1.336 1
1 339 . 3 1 1 A 33 33 GLU CB C 33 33.079 31.605 1.474 1
1 341 . 3 1 1 A 33 33 GLU N N 33 119.902 118.531 1.371 1
1 342 . 3 1 1 A 34 34 VAL H H 34 8.311 8.871 -0.560 1
1 343 . 3 1 1 A 34 34 VAL HA H 34 4.791 4.714 0.077 1
1 351 . 3 1 1 A 34 34 VAL C C 34 171.861 174.360 -2.499 1
1 352 . 3 1 1 A 34 34 VAL CA C 34 58.152 60.227 -2.075 1
1 353 . 3 1 1 A 34 34 VAL CB C 34 35.881 35.737 0.144 1
1 356 . 3 1 1 A 34 34 VAL N N 34 119.872 120.450 -0.578 1
1 357 . 3 1 1 A 35 35 THR H H 35 8.047 8.634 -0.587 1
1 358 . 3 1 1 A 35 35 THR HA H 35 4.559 4.660 -0.101 1
1 363 . 3 1 1 A 35 35 THR C C 35 174.643 174.223 0.420 1
1 364 . 3 1 1 A 35 35 THR CA C 35 62.859 62.909 -0.050 1
1 365 . 3 1 1 A 35 35 THR CB C 35 69.626 69.067 0.559 1
1 367 . 3 1 1 A 35 35 THR N N 35 123.767 122.311 1.456 1
1 368 . 3 1 1 A 36 36 LEU H H 36 9.001 8.479 0.522 1
1 369 . 3 1 1 A 36 36 LEU HA H 36 4.571 4.984 -0.413 1
1 379 . 3 1 1 A 36 36 LEU C C 36 176.087 175.750 0.337 1
1 380 . 3 1 1 A 36 36 LEU CA C 36 53.374 53.602 -0.228 1
1 381 . 3 1 1 A 36 36 LEU CB C 36 47.954 46.428 1.526 1
1 385 . 3 1 1 A 36 36 LEU N N 36 127.439 125.877 1.562 1
1 386 . 3 1 1 A 37 37 GLN H H 37 8.889 8.862 0.027 1
1 387 . 3 1 1 A 37 37 GLN HA H 37 4.298 4.789 -0.491 1
1 394 . 3 1 1 A 37 37 GLN C C 37 175.508 174.713 0.795 1
1 395 . 3 1 1 A 37 37 GLN CA C 37 53.621 53.711 -0.090 1
1 396 . 3 1 1 A 37 37 GLN CB C 37 30.567 32.597 -2.030 1
1 398 . 3 1 1 A 37 37 GLN N N 37 121.687 119.602 2.085 1
1 400 . 3 1 1 A 38 38 GLN H H 38 8.517 8.512 0.005 1
1 401 . 3 1 1 A 38 38 GLN HA H 38 3.378 4.052 -0.674 1
1 408 . 3 1 1 A 38 38 GLN C C 38 176.738 176.363 0.375 1
1 409 . 3 1 1 A 38 38 GLN CA C 38 58.584 56.930 1.654 1
1 410 . 3 1 1 A 38 38 GLN CB C 38 28.151 28.594 -0.443 1
1 412 . 3 1 1 A 38 38 GLN N N 38 120.664 121.676 -1.012 1
1 414 . 3 1 1 A 39 39 ALA H H 39 9.200 9.557 -0.357 1
1 415 . 3 1 1 A 39 39 ALA HA H 39 3.948 3.868 0.080 1
1 419 . 3 1 1 A 39 39 ALA C C 39 177.251 175.772 1.479 1
1 420 . 3 1 1 A 39 39 ALA CA C 39 54.731 53.182 1.549 1
1 421 . 3 1 1 A 39 39 ALA CB C 39 17.134 17.429 -0.295 1
1 422 . 3 1 1 A 39 39 ALA N N 39 123.253 123.840 -0.587 1
1 423 . 3 1 1 A 40 40 ASP H H 40 8.025 7.277 0.748 1
1 424 . 3 1 1 A 40 40 ASP HA H 40 4.498 5.081 -0.583 1
1 427 . 3 1 1 A 40 40 ASP C C 40 175.010 175.523 -0.513 1
1 428 . 3 1 1 A 40 40 ASP CA C 40 56.407 53.245 3.162 1
1 429 . 3 1 1 A 40 40 ASP CB C 40 41.713 43.325 -1.612 1
1 430 . 3 1 1 A 40 40 ASP N N 40 121.075 116.601 4.474 1
1 431 . 3 1 1 A 41 41 VAL H H 41 7.518 8.682 -1.164 1
1 432 . 3 1 1 A 41 41 VAL HA H 41 5.060 4.476 0.584 1
1 440 . 3 1 1 A 41 41 VAL C C 41 176.546 175.022 1.524 1
1 441 . 3 1 1 A 41 41 VAL CA C 41 61.818 61.856 -0.038 1
1 442 . 3 1 1 A 41 41 VAL CB C 41 32.997 32.372 0.625 1
1 445 . 3 1 1 A 41 41 VAL N N 41 119.767 124.211 -4.444 1
1 446 . 3 1 1 A 42 42 VAL H H 42 9.086 8.345 0.741 1
1 447 . 3 1 1 A 42 42 VAL HA H 42 4.528 4.504 0.024 1
1 455 . 3 1 1 A 42 42 VAL C C 42 173.762 174.624 -0.862 1
1 456 . 3 1 1 A 42 42 VAL CA C 42 60.363 60.527 -0.164 1
1 457 . 3 1 1 A 42 42 VAL CB C 42 35.736 35.565 0.171 1
1 460 . 3 1 1 A 42 42 VAL N N 42 129.212 127.515 1.697 1
1 461 . 3 1 1 A 43 43 LEU H H 43 8.855 9.171 -0.316 1
1 462 . 3 1 1 A 43 43 LEU HA H 43 4.651 4.730 -0.079 1
1 472 . 3 1 1 A 43 43 LEU C C 43 175.853 175.555 0.298 1
1 473 . 3 1 1 A 43 43 LEU CA C 43 54.132 54.082 0.050 1
1 474 . 3 1 1 A 43 43 LEU CB C 43 44.039 43.118 0.921 1
1 478 . 3 1 1 A 43 43 LEU N N 43 128.624 130.147 -1.523 1
1 479 . 3 1 1 A 44 44 VAL H H 44 8.835 8.890 -0.055 1
1 480 . 3 1 1 A 44 44 VAL HA H 44 3.837 4.479 -0.642 1
1 488 . 3 1 1 A 44 44 VAL C C 44 174.445 175.710 -1.265 1
1 489 . 3 1 1 A 44 44 VAL CA C 44 64.603 63.692 0.911 1
1 490 . 3 1 1 A 44 44 VAL CB C 44 32.325 32.178 0.147 1
1 493 . 3 1 1 A 44 44 VAL N N 44 126.525 127.925 -1.400 1
1 494 . 3 1 1 A 45 45 LEU H H 45 9.166 10.046 -0.880 1
1 495 . 3 1 1 A 45 45 LEU HA H 45 4.488 4.546 -0.058 1
1 505 . 3 1 1 A 45 45 LEU C C 45 177.820 176.555 1.265 1
1 506 . 3 1 1 A 45 45 LEU CA C 45 56.137 55.673 0.464 1
1 507 . 3 1 1 A 45 45 LEU CB C 45 43.957 43.602 0.355 1
1 511 . 3 1 1 A 45 45 LEU N N 45 127.543 126.872 0.671 1
1 512 . 3 1 1 A 46 46 GLN H H 46 8.074 7.529 0.545 1
1 513 . 3 1 1 A 46 46 GLN HA H 46 4.643 4.774 -0.131 1
1 520 . 3 1 1 A 46 46 GLN C C 46 173.225 174.459 -1.234 1
1 521 . 3 1 1 A 46 46 GLN CA C 46 55.277 54.675 0.602 1
1 522 . 3 1 1 A 46 46 GLN CB C 46 33.285 31.576 1.709 1
1 524 . 3 1 1 A 46 46 GLN N N 46 115.961 116.820 -0.859 1
1 526 . 3 1 1 A 47 47 GLN H H 47 8.683 8.980 -0.297 1
1 527 . 3 1 1 A 47 47 GLN HA H 47 5.194 4.860 0.334 1
1 534 . 3 1 1 A 47 47 GLN C C 47 174.366 174.562 -0.196 1
1 535 . 3 1 1 A 47 47 GLN CA C 47 55.243 55.042 0.201 1
1 536 . 3 1 1 A 47 47 GLN CB C 47 31.473 29.567 1.906 1
1 538 . 3 1 1 A 47 47 GLN N N 47 121.742 124.344 -2.602 1
1 540 . 3 1 1 A 48 48 GLU H H 48 9.201 9.223 -0.022 1
1 541 . 3 1 1 A 48 48 GLU HA H 48 4.669 5.066 -0.397 1
1 546 . 3 1 1 A 48 48 GLU C C 48 175.622 175.307 0.315 1
1 547 . 3 1 1 A 48 48 GLU CA C 48 56.134 54.860 1.274 1
1 548 . 3 1 1 A 48 48 GLU CB C 48 33.098 32.501 0.597 1
1 550 . 3 1 1 A 48 48 GLU N N 48 124.529 125.221 -0.692 1
1 551 . 3 1 1 A 49 49 ASP H H 49 9.177 8.798 0.379 1
1 552 . 3 1 1 A 49 49 ASP HA H 49 4.424 4.336 0.088 1
1 555 . 3 1 1 A 49 49 ASP C C 49 175.771 176.905 -1.134 1
1 556 . 3 1 1 A 49 49 ASP CA C 49 56.001 56.025 -0.024 1
1 557 . 3 1 1 A 49 49 ASP CB C 49 40.478 40.555 -0.077 1
1 558 . 3 1 1 A 49 49 ASP N N 49 125.649 128.110 -2.461 1
1 559 . 3 1 1 A 50 50 GLY H H 50 8.750 8.830 -0.080 1
1 560 . 3 1 1 A 50 50 GLY HA2 H 50 4.266 4.032 0.234 1
1 561 . 3 1 1 A 50 50 GLY HA3 H 50 3.753 4.145 -0.392 1
1 562 . 3 1 1 A 50 50 GLY C C 50 174.455 173.671 0.784 1
1 563 . 3 1 1 A 50 50 GLY CA C 50 45.969 45.443 0.526 1
1 564 . 3 1 1 A 50 50 GLY N N 50 108.057 113.249 -5.192 1
1 565 . 3 1 1 A 51 51 TRP H H 51 8.427 8.999 -0.572 1
1 566 . 3 1 1 A 51 51 TRP HA H 51 4.877 5.312 -0.435 1
1 575 . 3 1 1 A 51 51 TRP C C 51 173.525 175.471 -1.946 1
1 576 . 3 1 1 A 51 51 TRP CA C 51 57.270 55.610 1.660 1
1 577 . 3 1 1 A 51 51 TRP CB C 51 32.690 34.110 -1.420 1
1 583 . 3 1 1 A 51 51 TRP N N 51 122.784 120.749 2.035 1
1 585 . 3 1 1 A 52 52 LEU H H 52 9.368 9.148 0.220 1
1 586 . 3 1 1 A 52 52 LEU HA H 52 4.987 4.954 0.033 1
1 596 . 3 1 1 A 52 52 LEU C C 52 173.005 174.107 -1.102 1
1 597 . 3 1 1 A 52 52 LEU CA C 52 52.634 52.806 -0.172 1
1 598 . 3 1 1 A 52 52 LEU CB C 52 43.833 43.325 0.508 1
1 602 . 3 1 1 A 52 52 LEU N N 52 121.750 122.449 -0.699 1
1 603 . 3 1 1 A 53 53 TYR H H 53 8.267 9.584 -1.317 1
1 604 . 3 1 1 A 53 53 TYR HA H 53 4.513 4.604 -0.091 1
1 611 . 3 1 1 A 53 53 TYR C C 53 176.111 174.990 1.121 1
1 612 . 3 1 1 A 53 53 TYR CA C 53 55.283 57.128 -1.845 1
1 613 . 3 1 1 A 53 53 TYR CB C 53 39.251 39.363 -0.112 1
1 618 . 3 1 1 A 53 53 TYR N N 53 122.457 126.270 -3.813 1
1 619 . 3 1 1 A 54 54 GLY H H 54 8.238 7.812 0.426 1
1 620 . 3 1 1 A 54 54 GLY HA2 H 54 4.706 4.134 0.572 1
1 621 . 3 1 1 A 54 54 GLY HA3 H 54 3.802 4.382 -0.580 1
1 622 . 3 1 1 A 54 54 GLY C C 54 168.928 171.456 -2.528 1
1 623 . 3 1 1 A 54 54 GLY CA C 54 45.792 45.831 -0.039 1
1 624 . 3 1 1 A 54 54 GLY N N 54 112.598 111.959 0.639 1
1 625 . 3 1 1 A 55 55 GLU H H 55 8.400 9.212 -0.812 1
1 626 . 3 1 1 A 55 55 GLU HA H 55 4.718 5.104 -0.386 1
1 631 . 3 1 1 A 55 55 GLU C C 55 175.540 175.390 0.150 1
1 632 . 3 1 1 A 55 55 GLU CA C 55 53.268 54.760 -1.492 1
1 633 . 3 1 1 A 55 55 GLU CB C 55 34.264 33.087 1.177 1
1 635 . 3 1 1 A 55 55 GLU N N 55 118.345 120.516 -2.171 1
1 636 . 3 1 1 A 56 56 ARG H H 56 9.654 9.454 0.200 1
1 637 . 3 1 1 A 56 56 ARG HA H 56 4.309 4.385 -0.076 1
1 645 . 3 1 1 A 56 56 ARG C C 56 176.838 176.429 0.409 1
1 646 . 3 1 1 A 56 56 ARG CA C 56 57.492 56.671 0.821 1
1 647 . 3 1 1 A 56 56 ARG CB C 56 30.854 30.738 0.116 1
1 650 . 3 1 1 A 56 56 ARG N N 56 129.571 127.775 1.796 1
1 652 . 3 1 1 A 57 57 LEU H H 57 8.195 8.291 -0.096 1
1 653 . 3 1 1 A 57 57 LEU HA H 57 4.021 4.175 -0.154 1
1 663 . 3 1 1 A 57 57 LEU C C 57 179.671 178.880 0.791 1
1 664 . 3 1 1 A 57 57 LEU CA C 57 58.338 56.900 1.438 1
1 665 . 3 1 1 A 57 57 LEU CB C 57 41.939 41.378 0.561 1
1 669 . 3 1 1 A 57 57 LEU N N 57 129.973 126.830 3.143 1
1 670 . 3 1 1 A 58 58 ARG H H 58 8.494 8.139 0.355 1
1 671 . 3 1 1 A 58 58 ARG HA H 58 4.112 3.983 0.129 1
1 678 . 3 1 1 A 58 58 ARG C C 58 176.402 177.941 -1.539 1
1 679 . 3 1 1 A 58 58 ARG CA C 58 59.139 59.596 -0.457 1
1 680 . 3 1 1 A 58 58 ARG CB C 58 30.106 30.127 -0.021 1
1 683 . 3 1 1 A 58 58 ARG N N 58 115.005 120.966 -5.961 1
1 684 . 3 1 1 A 59 59 ASP H H 59 7.392 8.135 -0.743 1
1 685 . 3 1 1 A 59 59 ASP HA H 59 4.803 4.718 0.085 1
1 688 . 3 1 1 A 59 59 ASP C C 59 176.801 176.811 -0.010 1
1 689 . 3 1 1 A 59 59 ASP CA C 59 52.827 53.816 -0.989 1
1 690 . 3 1 1 A 59 59 ASP CB C 59 42.144 42.454 -0.310 1
1 691 . 3 1 1 A 59 59 ASP N N 59 113.739 115.906 -2.167 1
1 692 . 3 1 1 A 60 60 GLY H H 60 8.435 8.326 0.109 1
1 693 . 3 1 1 A 60 60 GLY HA2 H 60 4.125 3.951 0.174 1
1 694 . 3 1 1 A 60 60 GLY HA3 H 60 3.868 3.962 -0.094 1
1 695 . 3 1 1 A 60 60 GLY C C 60 174.707 174.501 0.206 1
1 696 . 3 1 1 A 60 60 GLY CA C 60 45.917 44.983 0.934 1
1 697 . 3 1 1 A 60 60 GLY N N 60 110.642 106.036 4.606 1
1 698 . 3 1 1 A 61 61 GLU H H 61 7.527 7.857 -0.330 1
1 699 . 3 1 1 A 61 61 GLU HA H 61 4.163 4.313 -0.150 1
1 704 . 3 1 1 A 61 61 GLU C C 61 176.225 175.499 0.726 1
1 705 . 3 1 1 A 61 61 GLU CA C 61 58.222 57.475 0.747 1
1 706 . 3 1 1 A 61 61 GLU CB C 61 29.825 30.650 -0.825 1
1 708 . 3 1 1 A 61 61 GLU N N 61 123.061 120.778 2.283 1
1 709 . 3 1 1 A 62 62 THR H H 62 8.451 8.724 -0.273 1
1 710 . 3 1 1 A 62 62 THR HA H 62 5.666 4.995 0.671 1
1 715 . 3 1 1 A 62 62 THR C C 62 174.469 173.900 0.569 1
1 716 . 3 1 1 A 62 62 THR CA C 62 59.826 60.474 -0.648 1
1 717 . 3 1 1 A 62 62 THR CB C 62 72.751 69.926 2.825 1
1 719 . 3 1 1 A 62 62 THR N N 62 117.411 118.528 -1.117 1
1 720 . 3 1 1 A 63 63 GLY H H 63 7.931 8.241 -0.310 1
1 721 . 3 1 1 A 63 63 GLY HA2 H 63 4.124 4.436 -0.312 1
1 722 . 3 1 1 A 63 63 GLY HA3 H 63 3.936 4.532 -0.596 1
1 723 . 3 1 1 A 63 63 GLY C C 63 170.896 172.052 -1.156 1
1 724 . 3 1 1 A 63 63 GLY CA C 63 45.652 45.419 0.233 1
1 725 . 3 1 1 A 63 63 GLY N N 63 108.439 111.960 -3.521 1
1 726 . 3 1 1 A 64 64 TRP H H 64 9.071 9.722 -0.651 1
1 727 . 3 1 1 A 64 64 TRP HA H 64 6.061 5.685 0.376 1
1 736 . 3 1 1 A 64 64 TRP C C 64 177.395 176.215 1.180 1
1 737 . 3 1 1 A 64 64 TRP CA C 64 57.259 56.813 0.446 1
1 738 . 3 1 1 A 64 64 TRP CB C 64 31.882 31.194 0.688 1
1 744 . 3 1 1 A 64 64 TRP N N 64 119.762 120.467 -0.705 1
1 746 . 3 1 1 A 65 65 PHE H H 65 9.657 9.417 0.240 1
1 747 . 3 1 1 A 65 65 PHE HA H 65 4.823 5.146 -0.323 1
1 755 . 3 1 1 A 65 65 PHE C C 65 170.814 172.640 -1.826 1
1 756 . 3 1 1 A 65 65 PHE CA C 65 55.578 55.188 0.390 1
1 757 . 3 1 1 A 65 65 PHE CB C 65 38.245 41.294 -3.049 1
1 763 . 3 1 1 A 65 65 PHE N N 65 116.076 118.956 -2.880 1
1 764 . 3 1 1 A 66 66 PRO HA H 66 3.546 4.321 -0.775 1
1 771 . 3 1 1 A 66 66 PRO C C 66 177.963 177.733 0.230 1
1 772 . 3 1 1 A 66 66 PRO CA C 66 62.065 62.198 -0.133 1
1 773 . 3 1 1 A 66 66 PRO CB C 66 31.116 32.041 -0.925 1
1 776 . 3 1 1 A 67 67 GLU H H 67 8.081 8.612 -0.531 1
1 777 . 3 1 1 A 67 67 GLU HA H 67 3.651 4.110 -0.459 1
1 782 . 3 1 1 A 67 67 GLU C C 67 177.298 178.932 -1.634 1
1 783 . 3 1 1 A 67 67 GLU CA C 67 58.746 59.149 -0.403 1
1 784 . 3 1 1 A 67 67 GLU CB C 67 29.820 29.072 0.748 1
1 786 . 3 1 1 A 67 67 GLU N N 67 121.549 122.100 -0.551 1
1 787 . 3 1 1 A 68 68 ASP H H 68 8.456 8.199 0.257 1
1 788 . 3 1 1 A 68 68 ASP HA H 68 4.539 4.321 0.218 1
1 791 . 3 1 1 A 68 68 ASP C C 68 176.157 177.163 -1.006 1
1 792 . 3 1 1 A 68 68 ASP CA C 68 55.225 56.839 -1.614 1
1 793 . 3 1 1 A 68 68 ASP CB C 68 39.633 40.522 -0.889 1
1 794 . 3 1 1 A 68 68 ASP N N 68 113.915 120.631 -6.716 1
1 795 . 3 1 1 A 69 69 PHE H H 69 7.661 7.992 -0.331 1
1 796 . 3 1 1 A 69 69 PHE HA H 69 4.386 4.666 -0.280 1
1 803 . 3 1 1 A 69 69 PHE C C 69 173.252 175.013 -1.761 1
1 804 . 3 1 1 A 69 69 PHE CA C 69 57.758 57.328 0.430 1
1 805 . 3 1 1 A 69 69 PHE CB C 69 37.019 39.181 -2.162 1
1 810 . 3 1 1 A 69 69 PHE N N 69 119.727 116.087 3.640 1
1 811 . 3 1 1 A 70 70 ALA H H 70 7.809 8.913 -1.104 1
1 812 . 3 1 1 A 70 70 ALA HA H 70 5.256 4.841 0.415 1
1 816 . 3 1 1 A 70 70 ALA C C 70 175.703 175.124 0.579 1
1 817 . 3 1 1 A 70 70 ALA CA C 70 50.800 51.163 -0.363 1
1 818 . 3 1 1 A 70 70 ALA CB C 70 24.061 23.585 0.476 1
1 819 . 3 1 1 A 70 70 ALA N N 70 121.782 120.857 0.925 1
1 820 . 3 1 1 A 71 71 ARG H H 71 8.792 8.094 0.698 1
1 821 . 3 1 1 A 71 71 ARG HA H 71 4.828 5.078 -0.250 1
1 828 . 3 1 1 A 71 71 ARG C C 71 175.613 175.666 -0.053 1
1 829 . 3 1 1 A 71 71 ARG CA C 71 54.220 54.313 -0.093 1
1 830 . 3 1 1 A 71 71 ARG CB C 71 33.286 32.458 0.828 1
1 833 . 3 1 1 A 71 71 ARG N N 71 119.543 118.191 1.352 1
1 834 . 3 1 1 A 72 72 PHE H H 72 9.194 8.986 0.208 1
1 835 . 3 1 1 A 72 72 PHE HA H 72 4.604 4.416 0.188 1
1 843 . 3 1 1 A 72 72 PHE C C 72 176.818 176.000 0.818 1
1 844 . 3 1 1 A 72 72 PHE CA C 72 59.896 59.043 0.853 1
1 845 . 3 1 1 A 72 72 PHE CB C 72 39.079 38.820 0.259 1
1 851 . 3 1 1 A 72 72 PHE N N 72 125.006 123.969 1.037 1
1 852 . 3 1 1 A 73 73 ILE H H 73 8.574 8.386 0.188 1
1 853 . 3 1 1 A 73 73 ILE HA H 73 4.390 3.905 0.485 1
1 863 . 3 1 1 A 73 73 ILE C C 73 176.086 176.887 -0.801 1
1 864 . 3 1 1 A 73 73 ILE CA C 73 61.450 64.141 -2.691 1
1 865 . 3 1 1 A 73 73 ILE CB C 73 39.508 38.030 1.478 1
1 869 . 3 1 1 A 73 73 ILE N N 73 120.816 127.508 -6.692 1
1 870 . 3 1 1 A 74 74 SER H H 74 8.329 7.775 0.554 1
1 871 . 3 1 1 A 74 74 SER HA H 74 4.626 4.862 -0.236 1
1 874 . 3 1 1 A 74 74 SER C C 74 174.223 173.618 0.605 1
1 875 . 3 1 1 A 74 74 SER CA C 74 58.169 57.706 0.463 1
1 876 . 3 1 1 A 74 74 SER CB C 74 64.370 66.045 -1.675 1
1 877 . 3 1 1 A 74 74 SER N N 74 118.251 112.984 5.267 1
1 878 . 3 1 1 A 75 75 GLY H H 75 8.372 8.455 -0.083 1
1 879 . 3 1 1 A 75 75 GLY HA2 H 75 4.149 4.205 -0.056 1
1 880 . 3 1 1 A 75 75 GLY HA3 H 75 4.149 4.243 -0.094 1
1 881 . 3 1 1 A 75 75 GLY C C 75 171.907 172.766 -0.859 1
1 882 . 3 1 1 A 75 75 GLY CA C 75 44.682 46.223 -1.541 1
1 883 . 3 1 1 A 75 75 GLY N N 75 109.951 112.094 -2.143 1
1 884 . 3 1 1 A 76 76 PRO HA H 76 4.456 4.677 -0.221 1
1 891 . 3 1 1 A 76 76 PRO CA C 76 63.394 62.414 0.980 1
1 892 . 3 1 1 A 76 76 PRO CB C 76 32.180 30.080 2.100 1
1 1 . 4 1 1 A 6 6 SER HA H 6 4.486 4.404 0.082 1
1 3 . 4 1 1 A 6 6 SER CA C 6 58.492 59.773 -1.281 1
1 4 . 4 1 1 A 6 6 SER CB C 6 64.343 63.286 1.057 1
1 5 . 4 1 1 A 7 7 GLY H H 7 8.044 8.899 -0.855 1
1 6 . 4 1 1 A 7 7 GLY HA2 H 7 4.458 3.990 0.468 1
1 7 . 4 1 1 A 7 7 GLY HA3 H 7 3.780 4.023 -0.243 1
1 8 . 4 1 1 A 7 7 GLY C C 7 174.131 174.658 -0.527 1
1 9 . 4 1 1 A 7 7 GLY CA C 7 45.458 45.880 -0.422 1
1 10 . 4 1 1 A 7 7 GLY N N 7 116.867 107.336 9.531 1
1 11 . 4 1 1 A 8 8 TRP H H 8 8.111 8.169 -0.058 1
1 12 . 4 1 1 A 8 8 TRP HA H 8 4.626 4.444 0.182 1
1 21 . 4 1 1 A 8 8 TRP C C 8 176.673 175.779 0.894 1
1 22 . 4 1 1 A 8 8 TRP CA C 8 57.729 57.523 0.206 1
1 23 . 4 1 1 A 8 8 TRP CB C 8 29.413 28.438 0.975 1
1 29 . 4 1 1 A 8 8 TRP N N 8 121.258 113.612 7.646 1
1 31 . 4 1 1 A 9 9 GLN H H 9 8.229 8.368 -0.139 1
1 32 . 4 1 1 A 9 9 GLN HA H 9 4.133 4.754 -0.621 1
1 39 . 4 1 1 A 9 9 GLN C C 9 176.147 175.885 0.262 1
1 40 . 4 1 1 A 9 9 GLN CA C 9 56.283 54.636 1.647 1
1 41 . 4 1 1 A 9 9 GLN CB C 9 29.125 30.354 -1.229 1
1 43 . 4 1 1 A 9 9 GLN N N 9 122.756 122.730 0.026 1
1 45 . 4 1 1 A 10 10 GLY H H 10 7.500 9.058 -1.558 1
1 46 . 4 1 1 A 10 10 GLY HA2 H 10 3.744 3.970 -0.226 1
1 47 . 4 1 1 A 10 10 GLY HA3 H 10 3.714 3.979 -0.265 1
1 48 . 4 1 1 A 10 10 GLY C C 10 174.092 174.240 -0.148 1
1 49 . 4 1 1 A 10 10 GLY CA C 10 45.335 46.984 -1.649 1
1 50 . 4 1 1 A 10 10 GLY N N 10 108.221 110.117 -1.896 1
1 51 . 4 1 1 A 11 11 LEU H H 11 8.029 7.886 0.143 1
1 52 . 4 1 1 A 11 11 LEU HA H 11 4.368 4.629 -0.261 1
1 62 . 4 1 1 A 11 11 LEU C C 11 177.808 176.035 1.773 1
1 63 . 4 1 1 A 11 11 LEU CA C 11 55.348 56.271 -0.923 1
1 64 . 4 1 1 A 11 11 LEU CB C 11 42.515 44.917 -2.402 1
1 68 . 4 1 1 A 11 11 LEU N N 11 121.136 124.599 -3.463 1
1 69 . 4 1 1 A 12 12 SER H H 12 8.388 8.251 0.137 1
1 70 . 4 1 1 A 12 12 SER HA H 12 4.370 4.657 -0.287 1
1 73 . 4 1 1 A 12 12 SER CA C 12 58.716 57.154 1.562 1
1 74 . 4 1 1 A 12 12 SER CB C 12 63.835 65.080 -1.245 1
1 75 . 4 1 1 A 12 12 SER N N 12 116.252 113.954 2.298 1
1 76 . 4 1 1 A 13 13 SER HA H 13 4.481 4.067 0.414 1
1 79 . 4 1 1 A 13 13 SER C C 13 175.161 173.818 1.343 1
1 80 . 4 1 1 A 13 13 SER CA C 13 58.442 61.142 -2.700 1
1 81 . 4 1 1 A 13 13 SER CB C 13 63.798 61.566 2.232 1
1 82 . 4 1 1 A 14 14 LYS H H 14 8.372 8.629 -0.257 1
1 83 . 4 1 1 A 14 14 LYS HA H 14 4.226 4.271 -0.045 1
1 92 . 4 1 1 A 14 14 LYS C C 14 177.249 176.262 0.987 1
1 93 . 4 1 1 A 14 14 LYS CA C 14 57.303 56.199 1.104 1
1 94 . 4 1 1 A 14 14 LYS CB C 14 32.694 33.072 -0.378 1
1 98 . 4 1 1 A 14 14 LYS N N 14 123.245 120.297 2.948 1
1 99 . 4 1 1 A 15 15 GLY H H 15 8.213 8.286 -0.073 1
1 100 . 4 1 1 A 15 15 GLY HA2 H 15 3.924 4.085 -0.161 1
1 101 . 4 1 1 A 15 15 GLY HA3 H 15 3.924 4.088 -0.164 1
1 102 . 4 1 1 A 15 15 GLY C C 15 173.863 172.189 1.674 1
1 103 . 4 1 1 A 15 15 GLY CA C 15 45.599 45.712 -0.113 1
1 104 . 4 1 1 A 15 15 GLY N N 15 107.368 108.834 -1.466 1
1 105 . 4 1 1 A 16 16 ASP H H 16 8.091 8.322 -0.231 1
1 106 . 4 1 1 A 16 16 ASP HA H 16 4.711 4.943 -0.232 1
1 109 . 4 1 1 A 16 16 ASP C C 16 176.074 175.112 0.962 1
1 110 . 4 1 1 A 16 16 ASP CA C 16 54.167 53.040 1.127 1
1 111 . 4 1 1 A 16 16 ASP CB C 16 41.155 41.699 -0.544 1
1 112 . 4 1 1 A 16 16 ASP N N 16 119.368 122.865 -3.497 1
1 113 . 4 1 1 A 17 17 LEU H H 17 7.757 8.325 -0.568 1
1 114 . 4 1 1 A 17 17 LEU HA H 17 4.641 4.541 0.100 1
1 124 . 4 1 1 A 17 17 LEU C C 17 174.627 174.580 0.047 1
1 125 . 4 1 1 A 17 17 LEU CA C 17 53.286 53.380 -0.094 1
1 126 . 4 1 1 A 17 17 LEU CB C 17 41.003 40.699 0.304 1
1 130 . 4 1 1 A 17 17 LEU N N 17 122.770 125.159 -2.389 1
1 131 . 4 1 1 A 18 18 PRO HA H 18 4.619 4.858 -0.239 1
1 138 . 4 1 1 A 18 18 PRO C C 18 175.014 176.445 -1.431 1
1 139 . 4 1 1 A 18 18 PRO CA C 18 62.756 62.612 0.144 1
1 140 . 4 1 1 A 18 18 PRO CB C 18 32.631 32.843 -0.212 1
1 143 . 4 1 1 A 19 19 GLN H H 19 8.295 8.442 -0.147 1
1 144 . 4 1 1 A 19 19 GLN HA H 19 5.396 5.004 0.392 1
1 151 . 4 1 1 A 19 19 GLN C C 19 176.012 174.882 1.130 1
1 152 . 4 1 1 A 19 19 GLN CA C 19 54.094 54.302 -0.208 1
1 153 . 4 1 1 A 19 19 GLN CB C 19 32.478 32.151 0.327 1
1 155 . 4 1 1 A 19 19 GLN N N 19 117.612 119.741 -2.129 1
1 157 . 4 1 1 A 20 20 VAL H H 20 9.005 8.464 0.541 1
1 158 . 4 1 1 A 20 20 VAL HA H 20 5.133 4.723 0.410 1
1 166 . 4 1 1 A 20 20 VAL C C 20 173.875 173.504 0.371 1
1 167 . 4 1 1 A 20 20 VAL CA C 20 57.486 59.143 -1.657 1
1 168 . 4 1 1 A 20 20 VAL CB C 20 35.076 35.648 -0.572 1
1 171 . 4 1 1 A 20 20 VAL N N 20 112.092 118.005 -5.913 1
1 172 . 4 1 1 A 21 21 GLU H H 21 8.901 8.407 0.494 1
1 173 . 4 1 1 A 21 21 GLU HA H 21 5.199 5.061 0.138 1
1 178 . 4 1 1 A 21 21 GLU C C 21 175.780 175.747 0.033 1
1 179 . 4 1 1 A 21 21 GLU CA C 21 53.268 54.826 -1.558 1
1 180 . 4 1 1 A 21 21 GLU CB C 21 32.997 31.651 1.346 1
1 182 . 4 1 1 A 21 21 GLU N N 21 119.970 122.994 -3.024 1
1 183 . 4 1 1 A 22 22 ILE H H 22 8.656 9.782 -1.126 1
1 184 . 4 1 1 A 22 22 ILE HA H 22 4.742 4.261 0.481 1
1 194 . 4 1 1 A 22 22 ILE C C 22 179.107 177.668 1.439 1
1 195 . 4 1 1 A 22 22 ILE CA C 22 58.064 62.123 -4.059 1
1 196 . 4 1 1 A 22 22 ILE CB C 22 34.481 37.523 -3.042 1
1 200 . 4 1 1 A 22 22 ILE N N 22 125.654 127.882 -2.228 1
1 201 . 4 1 1 A 23 23 THR H H 23 9.206 8.937 0.269 1
1 202 . 4 1 1 A 23 23 THR HA H 23 4.230 4.321 -0.091 1
1 207 . 4 1 1 A 23 23 THR C C 23 174.481 174.426 0.055 1
1 208 . 4 1 1 A 23 23 THR CA C 23 62.787 63.037 -0.250 1
1 209 . 4 1 1 A 23 23 THR CB C 23 68.779 69.126 -0.347 1
1 211 . 4 1 1 A 23 23 THR N N 23 122.259 119.691 2.568 1
1 212 . 4 1 1 A 24 24 LYS H H 24 7.443 7.687 -0.244 1
1 213 . 4 1 1 A 24 24 LYS HA H 24 4.332 4.748 -0.416 1
1 222 . 4 1 1 A 24 24 LYS C C 24 172.169 175.241 -3.072 1
1 223 . 4 1 1 A 24 24 LYS CA C 24 55.154 54.915 0.239 1
1 224 . 4 1 1 A 24 24 LYS CB C 24 35.137 35.677 -0.540 1
1 228 . 4 1 1 A 24 24 LYS N N 24 121.874 118.142 3.732 1
1 229 . 4 1 1 A 25 25 ALA H H 25 8.259 8.615 -0.356 1
1 230 . 4 1 1 A 25 25 ALA HA H 25 3.914 4.342 -0.428 1
1 234 . 4 1 1 A 25 25 ALA C C 25 176.411 176.777 -0.366 1
1 235 . 4 1 1 A 25 25 ALA CA C 25 53.409 52.894 0.515 1
1 236 . 4 1 1 A 25 25 ALA CB C 25 19.113 18.976 0.137 1
1 237 . 4 1 1 A 25 25 ALA N N 25 121.708 124.299 -2.591 1
1 238 . 4 1 1 A 26 26 PHE H H 26 8.058 8.622 -0.564 1
1 239 . 4 1 1 A 26 26 PHE HA H 26 4.742 5.223 -0.481 1
1 247 . 4 1 1 A 26 26 PHE C C 26 172.769 174.307 -1.538 1
1 248 . 4 1 1 A 26 26 PHE CA C 26 56.354 55.689 0.665 1
1 249 . 4 1 1 A 26 26 PHE CB C 26 42.608 40.362 2.246 1
1 255 . 4 1 1 A 26 26 PHE N N 26 121.151 123.894 -2.743 1
1 256 . 4 1 1 A 27 27 PHE H H 27 7.752 8.765 -1.013 1
1 257 . 4 1 1 A 27 27 PHE HA H 27 4.469 4.291 0.178 1
1 265 . 4 1 1 A 27 27 PHE C C 27 173.594 175.451 -1.857 1
1 266 . 4 1 1 A 27 27 PHE CA C 27 56.088 58.834 -2.746 1
1 267 . 4 1 1 A 27 27 PHE CB C 27 39.425 38.992 0.433 1
1 273 . 4 1 1 A 27 27 PHE N N 27 125.818 126.017 -0.199 1
1 274 . 4 1 1 A 28 28 ALA H H 28 8.045 7.993 0.052 1
1 275 . 4 1 1 A 28 28 ALA HA H 28 4.002 4.103 -0.101 1
1 279 . 4 1 1 A 28 28 ALA C C 28 178.303 178.361 -0.058 1
1 280 . 4 1 1 A 28 28 ALA CA C 28 52.898 52.888 0.010 1
1 281 . 4 1 1 A 28 28 ALA CB C 28 20.853 19.092 1.761 1
1 282 . 4 1 1 A 28 28 ALA N N 28 126.105 127.521 -1.416 1
1 283 . 4 1 1 A 29 29 LYS H H 29 9.282 9.550 -0.268 1
1 284 . 4 1 1 A 29 29 LYS HA H 29 4.524 4.625 -0.101 1
1 293 . 4 1 1 A 29 29 LYS C C 29 176.347 176.442 -0.095 1
1 294 . 4 1 1 A 29 29 LYS CA C 29 56.187 56.773 -0.586 1
1 295 . 4 1 1 A 29 29 LYS CB C 29 34.585 34.234 0.351 1
1 299 . 4 1 1 A 29 29 LYS N N 29 120.760 119.530 1.230 1
1 300 . 4 1 1 A 30 30 GLN H H 30 7.738 7.790 -0.052 1
1 301 . 4 1 1 A 30 30 GLN HA H 30 4.657 4.571 0.086 1
1 308 . 4 1 1 A 30 30 GLN C C 30 177.059 176.350 0.709 1
1 309 . 4 1 1 A 30 30 GLN CA C 30 53.885 54.531 -0.646 1
1 310 . 4 1 1 A 30 30 GLN CB C 30 31.349 30.202 1.147 1
1 312 . 4 1 1 A 30 30 GLN N N 30 116.957 118.947 -1.990 1
1 314 . 4 1 1 A 31 31 ALA H H 31 8.719 8.369 0.350 1
1 315 . 4 1 1 A 31 31 ALA HA H 31 4.189 4.223 -0.034 1
1 319 . 4 1 1 A 31 31 ALA C C 31 177.686 178.007 -0.321 1
1 320 . 4 1 1 A 31 31 ALA CA C 31 54.960 53.149 1.811 1
1 321 . 4 1 1 A 31 31 ALA CB C 31 18.859 19.421 -0.562 1
1 322 . 4 1 1 A 31 31 ALA N N 31 122.985 123.362 -0.377 1
1 323 . 4 1 1 A 32 32 ASP H H 32 8.436 7.991 0.445 1
1 324 . 4 1 1 A 32 32 ASP HA H 32 4.904 4.776 0.128 1
1 327 . 4 1 1 A 32 32 ASP C C 32 176.845 176.734 0.111 1
1 328 . 4 1 1 A 32 32 ASP CA C 32 54.044 54.730 -0.686 1
1 329 . 4 1 1 A 32 32 ASP CB C 32 40.166 41.974 -1.808 1
1 330 . 4 1 1 A 32 32 ASP N N 32 113.224 117.360 -4.136 1
1 331 . 4 1 1 A 33 33 GLU H H 33 7.632 8.141 -0.509 1
1 332 . 4 1 1 A 33 33 GLU HA H 33 5.578 5.037 0.541 1
1 337 . 4 1 1 A 33 33 GLU C C 33 175.518 175.726 -0.208 1
1 338 . 4 1 1 A 33 33 GLU CA C 33 55.437 56.640 -1.203 1
1 339 . 4 1 1 A 33 33 GLU CB C 33 33.079 31.446 1.633 1
1 341 . 4 1 1 A 33 33 GLU N N 33 119.902 118.565 1.337 1
1 342 . 4 1 1 A 34 34 VAL H H 34 8.311 8.880 -0.569 1
1 343 . 4 1 1 A 34 34 VAL HA H 34 4.791 4.611 0.180 1
1 351 . 4 1 1 A 34 34 VAL C C 34 171.861 174.350 -2.489 1
1 352 . 4 1 1 A 34 34 VAL CA C 34 58.152 60.554 -2.402 1
1 353 . 4 1 1 A 34 34 VAL CB C 34 35.881 35.073 0.808 1
1 356 . 4 1 1 A 34 34 VAL N N 34 119.872 120.383 -0.511 1
1 357 . 4 1 1 A 35 35 THR H H 35 8.047 8.654 -0.607 1
1 358 . 4 1 1 A 35 35 THR HA H 35 4.559 4.593 -0.034 1
1 363 . 4 1 1 A 35 35 THR C C 35 174.643 174.202 0.441 1
1 364 . 4 1 1 A 35 35 THR CA C 35 62.859 63.220 -0.361 1
1 365 . 4 1 1 A 35 35 THR CB C 35 69.626 68.958 0.668 1
1 367 . 4 1 1 A 35 35 THR N N 35 123.767 123.039 0.728 1
1 368 . 4 1 1 A 36 36 LEU H H 36 9.001 8.452 0.549 1
1 369 . 4 1 1 A 36 36 LEU HA H 36 4.571 4.998 -0.427 1
1 379 . 4 1 1 A 36 36 LEU C C 36 176.087 175.763 0.324 1
1 380 . 4 1 1 A 36 36 LEU CA C 36 53.374 53.541 -0.167 1
1 381 . 4 1 1 A 36 36 LEU CB C 36 47.954 46.138 1.816 1
1 385 . 4 1 1 A 36 36 LEU N N 36 127.439 125.917 1.522 1
1 386 . 4 1 1 A 37 37 GLN H H 37 8.889 8.547 0.342 1
1 387 . 4 1 1 A 37 37 GLN HA H 37 4.298 4.824 -0.526 1
1 394 . 4 1 1 A 37 37 GLN C C 37 175.508 174.834 0.674 1
1 395 . 4 1 1 A 37 37 GLN CA C 37 53.621 53.681 -0.060 1
1 396 . 4 1 1 A 37 37 GLN CB C 37 30.567 32.673 -2.106 1
1 398 . 4 1 1 A 37 37 GLN N N 37 121.687 119.451 2.236 1
1 400 . 4 1 1 A 38 38 GLN H H 38 8.517 8.508 0.009 1
1 401 . 4 1 1 A 38 38 GLN HA H 38 3.378 3.988 -0.610 1
1 408 . 4 1 1 A 38 38 GLN C C 38 176.738 176.356 0.382 1
1 409 . 4 1 1 A 38 38 GLN CA C 38 58.584 56.979 1.605 1
1 410 . 4 1 1 A 38 38 GLN CB C 38 28.151 28.596 -0.445 1
1 412 . 4 1 1 A 38 38 GLN N N 38 120.664 121.671 -1.007 1
1 414 . 4 1 1 A 39 39 ALA H H 39 9.200 9.579 -0.379 1
1 415 . 4 1 1 A 39 39 ALA HA H 39 3.948 3.856 0.092 1
1 419 . 4 1 1 A 39 39 ALA C C 39 177.251 175.736 1.515 1
1 420 . 4 1 1 A 39 39 ALA CA C 39 54.731 53.120 1.611 1
1 421 . 4 1 1 A 39 39 ALA CB C 39 17.134 17.332 -0.198 1
1 422 . 4 1 1 A 39 39 ALA N N 39 123.253 123.874 -0.621 1
1 423 . 4 1 1 A 40 40 ASP H H 40 8.025 7.291 0.734 1
1 424 . 4 1 1 A 40 40 ASP HA H 40 4.498 5.049 -0.551 1
1 427 . 4 1 1 A 40 40 ASP C C 40 175.010 175.552 -0.542 1
1 428 . 4 1 1 A 40 40 ASP CA C 40 56.407 53.045 3.362 1
1 429 . 4 1 1 A 40 40 ASP CB C 40 41.713 43.319 -1.606 1
1 430 . 4 1 1 A 40 40 ASP N N 40 121.075 116.525 4.550 1
1 431 . 4 1 1 A 41 41 VAL H H 41 7.518 8.584 -1.066 1
1 432 . 4 1 1 A 41 41 VAL HA H 41 5.060 4.529 0.531 1
1 440 . 4 1 1 A 41 41 VAL C C 41 176.546 175.020 1.526 1
1 441 . 4 1 1 A 41 41 VAL CA C 41 61.818 61.836 -0.018 1
1 442 . 4 1 1 A 41 41 VAL CB C 41 32.997 32.193 0.804 1
1 445 . 4 1 1 A 41 41 VAL N N 41 119.767 123.939 -4.172 1
1 446 . 4 1 1 A 42 42 VAL H H 42 9.086 8.448 0.638 1
1 447 . 4 1 1 A 42 42 VAL HA H 42 4.528 4.391 0.137 1
1 455 . 4 1 1 A 42 42 VAL C C 42 173.762 174.617 -0.855 1
1 456 . 4 1 1 A 42 42 VAL CA C 42 60.363 60.626 -0.263 1
1 457 . 4 1 1 A 42 42 VAL CB C 42 35.736 35.408 0.328 1
1 460 . 4 1 1 A 42 42 VAL N N 42 129.212 127.369 1.843 1
1 461 . 4 1 1 A 43 43 LEU H H 43 8.855 8.949 -0.094 1
1 462 . 4 1 1 A 43 43 LEU HA H 43 4.651 4.742 -0.091 1
1 472 . 4 1 1 A 43 43 LEU C C 43 175.853 175.543 0.310 1
1 473 . 4 1 1 A 43 43 LEU CA C 43 54.132 54.089 0.043 1
1 474 . 4 1 1 A 43 43 LEU CB C 43 44.039 43.184 0.855 1
1 478 . 4 1 1 A 43 43 LEU N N 43 128.624 130.097 -1.473 1
1 479 . 4 1 1 A 44 44 VAL H H 44 8.835 9.193 -0.358 1
1 480 . 4 1 1 A 44 44 VAL HA H 44 3.837 4.489 -0.652 1
1 488 . 4 1 1 A 44 44 VAL C C 44 174.445 175.716 -1.271 1
1 489 . 4 1 1 A 44 44 VAL CA C 44 64.603 63.968 0.635 1
1 490 . 4 1 1 A 44 44 VAL CB C 44 32.325 32.252 0.073 1
1 493 . 4 1 1 A 44 44 VAL N N 44 126.525 128.007 -1.482 1
1 494 . 4 1 1 A 45 45 LEU H H 45 9.166 10.039 -0.873 1
1 495 . 4 1 1 A 45 45 LEU HA H 45 4.488 4.556 -0.068 1
1 505 . 4 1 1 A 45 45 LEU C C 45 177.820 176.474 1.346 1
1 506 . 4 1 1 A 45 45 LEU CA C 45 56.137 55.690 0.447 1
1 507 . 4 1 1 A 45 45 LEU CB C 45 43.957 43.575 0.382 1
1 511 . 4 1 1 A 45 45 LEU N N 45 127.543 126.934 0.609 1
1 512 . 4 1 1 A 46 46 GLN H H 46 8.074 7.519 0.555 1
1 513 . 4 1 1 A 46 46 GLN HA H 46 4.643 4.764 -0.121 1
1 520 . 4 1 1 A 46 46 GLN C C 46 173.225 174.712 -1.487 1
1 521 . 4 1 1 A 46 46 GLN CA C 46 55.277 54.392 0.885 1
1 522 . 4 1 1 A 46 46 GLN CB C 46 33.285 31.052 2.233 1
1 524 . 4 1 1 A 46 46 GLN N N 46 115.961 116.957 -0.996 1
1 526 . 4 1 1 A 47 47 GLN H H 47 8.683 9.002 -0.319 1
1 527 . 4 1 1 A 47 47 GLN HA H 47 5.194 4.797 0.397 1
1 534 . 4 1 1 A 47 47 GLN C C 47 174.366 174.653 -0.287 1
1 535 . 4 1 1 A 47 47 GLN CA C 47 55.243 55.419 -0.176 1
1 536 . 4 1 1 A 47 47 GLN CB C 47 31.473 29.644 1.829 1
1 538 . 4 1 1 A 47 47 GLN N N 47 121.742 124.101 -2.359 1
1 540 . 4 1 1 A 48 48 GLU H H 48 9.201 9.266 -0.065 1
1 541 . 4 1 1 A 48 48 GLU HA H 48 4.669 5.074 -0.405 1
1 546 . 4 1 1 A 48 48 GLU C C 48 175.622 175.294 0.328 1
1 547 . 4 1 1 A 48 48 GLU CA C 48 56.134 54.885 1.249 1
1 548 . 4 1 1 A 48 48 GLU CB C 48 33.098 32.549 0.549 1
1 550 . 4 1 1 A 48 48 GLU N N 48 124.529 125.686 -1.157 1
1 551 . 4 1 1 A 49 49 ASP H H 49 9.177 8.924 0.253 1
1 552 . 4 1 1 A 49 49 ASP HA H 49 4.424 4.267 0.157 1
1 555 . 4 1 1 A 49 49 ASP C C 49 175.771 177.064 -1.293 1
1 556 . 4 1 1 A 49 49 ASP CA C 49 56.001 56.350 -0.349 1
1 557 . 4 1 1 A 49 49 ASP CB C 49 40.478 40.579 -0.101 1
1 558 . 4 1 1 A 49 49 ASP N N 49 125.649 127.436 -1.787 1
1 559 . 4 1 1 A 50 50 GLY H H 50 8.750 8.837 -0.087 1
1 560 . 4 1 1 A 50 50 GLY HA2 H 50 4.266 4.031 0.235 1
1 561 . 4 1 1 A 50 50 GLY HA3 H 50 3.753 4.147 -0.394 1
1 562 . 4 1 1 A 50 50 GLY C C 50 174.455 173.643 0.812 1
1 563 . 4 1 1 A 50 50 GLY CA C 50 45.969 45.413 0.556 1
1 564 . 4 1 1 A 50 50 GLY N N 50 108.057 111.212 -3.155 1
1 565 . 4 1 1 A 51 51 TRP H H 51 8.427 9.186 -0.759 1
1 566 . 4 1 1 A 51 51 TRP HA H 51 4.877 5.302 -0.425 1
1 575 . 4 1 1 A 51 51 TRP C C 51 173.525 175.614 -2.089 1
1 576 . 4 1 1 A 51 51 TRP CA C 51 57.270 55.646 1.624 1
1 577 . 4 1 1 A 51 51 TRP CB C 51 32.690 34.003 -1.313 1
1 583 . 4 1 1 A 51 51 TRP N N 51 122.784 120.754 2.030 1
1 585 . 4 1 1 A 52 52 LEU H H 52 9.368 9.215 0.153 1
1 586 . 4 1 1 A 52 52 LEU HA H 52 4.987 4.850 0.137 1
1 596 . 4 1 1 A 52 52 LEU C C 52 173.005 174.251 -1.246 1
1 597 . 4 1 1 A 52 52 LEU CA C 52 52.634 52.800 -0.166 1
1 598 . 4 1 1 A 52 52 LEU CB C 52 43.833 42.909 0.924 1
1 602 . 4 1 1 A 52 52 LEU N N 52 121.750 123.033 -1.283 1
1 603 . 4 1 1 A 53 53 TYR H H 53 8.267 9.458 -1.191 1
1 604 . 4 1 1 A 53 53 TYR HA H 53 4.513 4.530 -0.017 1
1 611 . 4 1 1 A 53 53 TYR C C 53 176.111 175.155 0.956 1
1 612 . 4 1 1 A 53 53 TYR CA C 53 55.283 57.736 -2.453 1
1 613 . 4 1 1 A 53 53 TYR CB C 53 39.251 38.915 0.336 1
1 618 . 4 1 1 A 53 53 TYR N N 53 122.457 126.824 -4.367 1
1 619 . 4 1 1 A 54 54 GLY H H 54 8.238 7.821 0.417 1
1 620 . 4 1 1 A 54 54 GLY HA2 H 54 4.706 4.161 0.545 1
1 621 . 4 1 1 A 54 54 GLY HA3 H 54 3.802 4.382 -0.580 1
1 622 . 4 1 1 A 54 54 GLY C C 54 168.928 171.425 -2.497 1
1 623 . 4 1 1 A 54 54 GLY CA C 54 45.792 45.880 -0.088 1
1 624 . 4 1 1 A 54 54 GLY N N 54 112.598 111.980 0.618 1
1 625 . 4 1 1 A 55 55 GLU H H 55 8.400 9.165 -0.765 1
1 626 . 4 1 1 A 55 55 GLU HA H 55 4.718 5.004 -0.286 1
1 631 . 4 1 1 A 55 55 GLU C C 55 175.540 175.315 0.225 1
1 632 . 4 1 1 A 55 55 GLU CA C 55 53.268 54.721 -1.453 1
1 633 . 4 1 1 A 55 55 GLU CB C 55 34.264 32.836 1.428 1
1 635 . 4 1 1 A 55 55 GLU N N 55 118.345 120.559 -2.214 1
1 636 . 4 1 1 A 56 56 ARG H H 56 9.654 8.997 0.657 1
1 637 . 4 1 1 A 56 56 ARG HA H 56 4.309 4.357 -0.048 1
1 645 . 4 1 1 A 56 56 ARG C C 56 176.838 176.422 0.416 1
1 646 . 4 1 1 A 56 56 ARG CA C 56 57.492 56.488 1.004 1
1 647 . 4 1 1 A 56 56 ARG CB C 56 30.854 30.718 0.136 1
1 650 . 4 1 1 A 56 56 ARG N N 56 129.571 128.545 1.026 1
1 652 . 4 1 1 A 57 57 LEU H H 57 8.195 8.472 -0.277 1
1 653 . 4 1 1 A 57 57 LEU HA H 57 4.021 4.212 -0.191 1
1 663 . 4 1 1 A 57 57 LEU C C 57 179.671 178.606 1.065 1
1 664 . 4 1 1 A 57 57 LEU CA C 57 58.338 57.580 0.758 1
1 665 . 4 1 1 A 57 57 LEU CB C 57 41.939 41.392 0.547 1
1 669 . 4 1 1 A 57 57 LEU N N 57 129.973 126.874 3.099 1
1 670 . 4 1 1 A 58 58 ARG H H 58 8.494 8.021 0.473 1
1 671 . 4 1 1 A 58 58 ARG HA H 58 4.112 3.939 0.173 1
1 678 . 4 1 1 A 58 58 ARG C C 58 176.402 178.095 -1.693 1
1 679 . 4 1 1 A 58 58 ARG CA C 58 59.139 59.510 -0.371 1
1 680 . 4 1 1 A 58 58 ARG CB C 58 30.106 30.049 0.057 1
1 683 . 4 1 1 A 58 58 ARG N N 58 115.005 121.206 -6.201 1
1 684 . 4 1 1 A 59 59 ASP H H 59 7.392 7.663 -0.271 1
1 685 . 4 1 1 A 59 59 ASP HA H 59 4.803 4.732 0.071 1
1 688 . 4 1 1 A 59 59 ASP C C 59 176.801 176.496 0.305 1
1 689 . 4 1 1 A 59 59 ASP CA C 59 52.827 54.058 -1.231 1
1 690 . 4 1 1 A 59 59 ASP CB C 59 42.144 42.120 0.024 1
1 691 . 4 1 1 A 59 59 ASP N N 59 113.739 117.154 -3.415 1
1 692 . 4 1 1 A 60 60 GLY H H 60 8.435 8.721 -0.286 1
1 693 . 4 1 1 A 60 60 GLY HA2 H 60 4.125 3.964 0.161 1
1 694 . 4 1 1 A 60 60 GLY HA3 H 60 3.868 3.965 -0.097 1
1 695 . 4 1 1 A 60 60 GLY C C 60 174.707 174.515 0.192 1
1 696 . 4 1 1 A 60 60 GLY CA C 60 45.917 45.030 0.887 1
1 697 . 4 1 1 A 60 60 GLY N N 60 110.642 107.561 3.081 1
1 698 . 4 1 1 A 61 61 GLU H H 61 7.527 7.881 -0.354 1
1 699 . 4 1 1 A 61 61 GLU HA H 61 4.163 4.277 -0.114 1
1 704 . 4 1 1 A 61 61 GLU C C 61 176.225 175.935 0.290 1
1 705 . 4 1 1 A 61 61 GLU CA C 61 58.222 57.015 1.207 1
1 706 . 4 1 1 A 61 61 GLU CB C 61 29.825 30.398 -0.573 1
1 708 . 4 1 1 A 61 61 GLU N N 61 123.061 121.161 1.900 1
1 709 . 4 1 1 A 62 62 THR H H 62 8.451 8.841 -0.390 1
1 710 . 4 1 1 A 62 62 THR HA H 62 5.666 5.039 0.627 1
1 715 . 4 1 1 A 62 62 THR C C 62 174.469 173.907 0.562 1
1 716 . 4 1 1 A 62 62 THR CA C 62 59.826 60.518 -0.692 1
1 717 . 4 1 1 A 62 62 THR CB C 62 72.751 69.648 3.103 1
1 719 . 4 1 1 A 62 62 THR N N 62 117.411 121.176 -3.765 1
1 720 . 4 1 1 A 63 63 GLY H H 63 7.931 8.217 -0.286 1
1 721 . 4 1 1 A 63 63 GLY HA2 H 63 4.124 4.417 -0.293 1
1 722 . 4 1 1 A 63 63 GLY HA3 H 63 3.936 4.512 -0.576 1
1 723 . 4 1 1 A 63 63 GLY C C 63 170.896 172.042 -1.146 1
1 724 . 4 1 1 A 63 63 GLY CA C 63 45.652 45.383 0.269 1
1 725 . 4 1 1 A 63 63 GLY N N 63 108.439 112.378 -3.939 1
1 726 . 4 1 1 A 64 64 TRP H H 64 9.071 9.404 -0.333 1
1 727 . 4 1 1 A 64 64 TRP HA H 64 6.061 5.644 0.417 1
1 736 . 4 1 1 A 64 64 TRP C C 64 177.395 176.262 1.133 1
1 737 . 4 1 1 A 64 64 TRP CA C 64 57.259 56.892 0.367 1
1 738 . 4 1 1 A 64 64 TRP CB C 64 31.882 30.734 1.148 1
1 744 . 4 1 1 A 64 64 TRP N N 64 119.762 120.636 -0.874 1
1 746 . 4 1 1 A 65 65 PHE H H 65 9.657 9.235 0.422 1
1 747 . 4 1 1 A 65 65 PHE HA H 65 4.823 5.121 -0.298 1
1 755 . 4 1 1 A 65 65 PHE C C 65 170.814 172.754 -1.940 1
1 756 . 4 1 1 A 65 65 PHE CA C 65 55.578 55.077 0.501 1
1 757 . 4 1 1 A 65 65 PHE CB C 65 38.245 41.749 -3.504 1
1 763 . 4 1 1 A 65 65 PHE N N 65 116.076 119.603 -3.527 1
1 764 . 4 1 1 A 66 66 PRO HA H 66 3.546 4.327 -0.781 1
1 771 . 4 1 1 A 66 66 PRO C C 66 177.963 177.746 0.217 1
1 772 . 4 1 1 A 66 66 PRO CA C 66 62.065 62.251 -0.186 1
1 773 . 4 1 1 A 66 66 PRO CB C 66 31.116 32.049 -0.933 1
1 776 . 4 1 1 A 67 67 GLU H H 67 8.081 8.607 -0.526 1
1 777 . 4 1 1 A 67 67 GLU HA H 67 3.651 4.107 -0.456 1
1 782 . 4 1 1 A 67 67 GLU C C 67 177.298 178.783 -1.485 1
1 783 . 4 1 1 A 67 67 GLU CA C 67 58.746 59.164 -0.418 1
1 784 . 4 1 1 A 67 67 GLU CB C 67 29.820 29.063 0.757 1
1 786 . 4 1 1 A 67 67 GLU N N 67 121.549 122.152 -0.603 1
1 787 . 4 1 1 A 68 68 ASP H H 68 8.456 8.174 0.282 1
1 788 . 4 1 1 A 68 68 ASP HA H 68 4.539 4.306 0.233 1
1 791 . 4 1 1 A 68 68 ASP C C 68 176.157 177.358 -1.201 1
1 792 . 4 1 1 A 68 68 ASP CA C 68 55.225 56.800 -1.575 1
1 793 . 4 1 1 A 68 68 ASP CB C 68 39.633 40.509 -0.876 1
1 794 . 4 1 1 A 68 68 ASP N N 68 113.915 120.800 -6.885 1
1 795 . 4 1 1 A 69 69 PHE H H 69 7.661 7.944 -0.283 1
1 796 . 4 1 1 A 69 69 PHE HA H 69 4.386 4.676 -0.290 1
1 803 . 4 1 1 A 69 69 PHE C C 69 173.252 174.932 -1.680 1
1 804 . 4 1 1 A 69 69 PHE CA C 69 57.758 57.406 0.352 1
1 805 . 4 1 1 A 69 69 PHE CB C 69 37.019 39.179 -2.160 1
1 810 . 4 1 1 A 69 69 PHE N N 69 119.727 116.925 2.802 1
1 811 . 4 1 1 A 70 70 ALA H H 70 7.809 8.874 -1.065 1
1 812 . 4 1 1 A 70 70 ALA HA H 70 5.256 4.765 0.491 1
1 816 . 4 1 1 A 70 70 ALA C C 70 175.703 175.110 0.593 1
1 817 . 4 1 1 A 70 70 ALA CA C 70 50.800 51.301 -0.501 1
1 818 . 4 1 1 A 70 70 ALA CB C 70 24.061 23.515 0.546 1
1 819 . 4 1 1 A 70 70 ALA N N 70 121.782 120.848 0.934 1
1 820 . 4 1 1 A 71 71 ARG H H 71 8.792 8.443 0.349 1
1 821 . 4 1 1 A 71 71 ARG HA H 71 4.828 5.080 -0.252 1
1 828 . 4 1 1 A 71 71 ARG C C 71 175.613 175.524 0.089 1
1 829 . 4 1 1 A 71 71 ARG CA C 71 54.220 54.298 -0.078 1
1 830 . 4 1 1 A 71 71 ARG CB C 71 33.286 32.538 0.748 1
1 833 . 4 1 1 A 71 71 ARG N N 71 119.543 118.454 1.089 1
1 834 . 4 1 1 A 72 72 PHE H H 72 9.194 8.938 0.256 1
1 835 . 4 1 1 A 72 72 PHE HA H 72 4.604 4.405 0.199 1
1 843 . 4 1 1 A 72 72 PHE C C 72 176.818 175.983 0.835 1
1 844 . 4 1 1 A 72 72 PHE CA C 72 59.896 59.153 0.743 1
1 845 . 4 1 1 A 72 72 PHE CB C 72 39.079 38.932 0.147 1
1 851 . 4 1 1 A 72 72 PHE N N 72 125.006 123.974 1.032 1
1 852 . 4 1 1 A 73 73 ILE H H 73 8.574 8.437 0.137 1
1 853 . 4 1 1 A 73 73 ILE HA H 73 4.390 3.942 0.448 1
1 863 . 4 1 1 A 73 73 ILE C C 73 176.086 176.242 -0.156 1
1 864 . 4 1 1 A 73 73 ILE CA C 73 61.450 64.056 -2.606 1
1 865 . 4 1 1 A 73 73 ILE CB C 73 39.508 38.156 1.352 1
1 869 . 4 1 1 A 73 73 ILE N N 73 120.816 127.351 -6.535 1
1 870 . 4 1 1 A 74 74 SER H H 74 8.329 7.834 0.495 1
1 871 . 4 1 1 A 74 74 SER HA H 74 4.626 4.859 -0.233 1
1 874 . 4 1 1 A 74 74 SER C C 74 174.223 173.342 0.881 1
1 875 . 4 1 1 A 74 74 SER CA C 74 58.169 57.223 0.946 1
1 876 . 4 1 1 A 74 74 SER CB C 74 64.370 66.504 -2.134 1
1 877 . 4 1 1 A 74 74 SER N N 74 118.251 112.645 5.606 1
1 878 . 4 1 1 A 75 75 GLY H H 75 8.372 8.342 0.030 1
1 879 . 4 1 1 A 75 75 GLY HA2 H 75 4.149 4.134 0.015 1
1 880 . 4 1 1 A 75 75 GLY HA3 H 75 4.149 4.177 -0.028 1
1 881 . 4 1 1 A 75 75 GLY C C 75 171.907 174.221 -2.314 1
1 882 . 4 1 1 A 75 75 GLY CA C 75 44.682 45.985 -1.303 1
1 883 . 4 1 1 A 75 75 GLY N N 75 109.951 112.567 -2.616 1
1 884 . 4 1 1 A 76 76 PRO HA H 76 4.456 4.486 -0.030 1
1 891 . 4 1 1 A 76 76 PRO CA C 76 63.394 62.531 0.863 1
1 892 . 4 1 1 A 76 76 PRO CB C 76 32.180 33.065 -0.885 1
1 1 . 5 1 1 A 6 6 SER HA H 6 4.486 4.925 -0.439 1
1 3 . 5 1 1 A 6 6 SER CA C 6 58.492 56.623 1.869 1
1 4 . 5 1 1 A 6 6 SER CB C 6 64.343 65.237 -0.894 1
1 5 . 5 1 1 A 7 7 GLY H H 7 8.044 8.514 -0.470 1
1 6 . 5 1 1 A 7 7 GLY HA2 H 7 4.458 4.147 0.311 1
1 7 . 5 1 1 A 7 7 GLY HA3 H 7 3.780 4.200 -0.420 1
1 8 . 5 1 1 A 7 7 GLY C C 7 174.131 172.853 1.278 1
1 9 . 5 1 1 A 7 7 GLY CA C 7 45.458 44.994 0.464 1
1 10 . 5 1 1 A 7 7 GLY N N 7 116.867 109.304 7.563 1
1 11 . 5 1 1 A 8 8 TRP H H 8 8.111 8.576 -0.465 1
1 12 . 5 1 1 A 8 8 TRP HA H 8 4.626 4.924 -0.298 1
1 21 . 5 1 1 A 8 8 TRP C C 8 176.673 174.911 1.762 1
1 22 . 5 1 1 A 8 8 TRP CA C 8 57.729 56.022 1.707 1
1 23 . 5 1 1 A 8 8 TRP CB C 8 29.413 29.746 -0.333 1
1 29 . 5 1 1 A 8 8 TRP N N 8 121.258 122.380 -1.122 1
1 31 . 5 1 1 A 9 9 GLN H H 9 8.229 8.715 -0.486 1
1 32 . 5 1 1 A 9 9 GLN HA H 9 4.133 4.349 -0.216 1
1 39 . 5 1 1 A 9 9 GLN C C 9 176.147 176.078 0.069 1
1 40 . 5 1 1 A 9 9 GLN CA C 9 56.283 56.992 -0.709 1
1 41 . 5 1 1 A 9 9 GLN CB C 9 29.125 28.716 0.409 1
1 43 . 5 1 1 A 9 9 GLN N N 9 122.756 127.293 -4.537 1
1 45 . 5 1 1 A 10 10 GLY H H 10 7.500 8.401 -0.901 1
1 46 . 5 1 1 A 10 10 GLY HA2 H 10 3.744 4.075 -0.331 1
1 47 . 5 1 1 A 10 10 GLY HA3 H 10 3.714 4.113 -0.399 1
1 48 . 5 1 1 A 10 10 GLY C C 10 174.092 174.883 -0.791 1
1 49 . 5 1 1 A 10 10 GLY CA C 10 45.335 45.663 -0.328 1
1 50 . 5 1 1 A 10 10 GLY N N 10 108.221 112.780 -4.559 1
1 51 . 5 1 1 A 11 11 LEU H H 11 8.029 8.187 -0.158 1
1 52 . 5 1 1 A 11 11 LEU HA H 11 4.368 4.367 0.001 1
1 62 . 5 1 1 A 11 11 LEU C C 11 177.808 175.950 1.858 1
1 63 . 5 1 1 A 11 11 LEU CA C 11 55.348 54.641 0.707 1
1 64 . 5 1 1 A 11 11 LEU CB C 11 42.515 40.303 2.212 1
1 68 . 5 1 1 A 11 11 LEU N N 11 121.136 122.849 -1.713 1
1 69 . 5 1 1 A 12 12 SER H H 12 8.388 8.499 -0.111 1
1 70 . 5 1 1 A 12 12 SER HA H 12 4.370 4.894 -0.524 1
1 73 . 5 1 1 A 12 12 SER CA C 12 58.716 58.224 0.492 1
1 74 . 5 1 1 A 12 12 SER CB C 12 63.835 66.592 -2.757 1
1 75 . 5 1 1 A 12 12 SER N N 12 116.252 119.785 -3.533 1
1 76 . 5 1 1 A 13 13 SER HA H 13 4.481 4.317 0.164 1
1 79 . 5 1 1 A 13 13 SER C C 13 175.161 175.127 0.034 1
1 80 . 5 1 1 A 13 13 SER CA C 13 58.442 62.319 -3.877 1
1 81 . 5 1 1 A 13 13 SER CB C 13 63.798 63.367 0.431 1
1 82 . 5 1 1 A 14 14 LYS H H 14 8.372 8.088 0.284 1
1 83 . 5 1 1 A 14 14 LYS HA H 14 4.226 4.339 -0.113 1
1 92 . 5 1 1 A 14 14 LYS C C 14 177.249 175.331 1.918 1
1 93 . 5 1 1 A 14 14 LYS CA C 14 57.303 58.209 -0.906 1
1 94 . 5 1 1 A 14 14 LYS CB C 14 32.694 31.247 1.447 1
1 98 . 5 1 1 A 14 14 LYS N N 14 123.245 118.236 5.009 1
1 99 . 5 1 1 A 15 15 GLY H H 15 8.213 8.461 -0.248 1
1 100 . 5 1 1 A 15 15 GLY HA2 H 15 3.924 4.172 -0.248 1
1 101 . 5 1 1 A 15 15 GLY HA3 H 15 3.924 4.175 -0.251 1
1 102 . 5 1 1 A 15 15 GLY C C 15 173.863 173.143 0.720 1
1 103 . 5 1 1 A 15 15 GLY CA C 15 45.599 44.614 0.985 1
1 104 . 5 1 1 A 15 15 GLY N N 15 107.368 108.614 -1.246 1
1 105 . 5 1 1 A 16 16 ASP H H 16 8.091 8.762 -0.671 1
1 106 . 5 1 1 A 16 16 ASP HA H 16 4.711 4.126 0.585 1
1 109 . 5 1 1 A 16 16 ASP C C 16 176.074 175.246 0.828 1
1 110 . 5 1 1 A 16 16 ASP CA C 16 54.167 54.916 -0.749 1
1 111 . 5 1 1 A 16 16 ASP CB C 16 41.155 39.206 1.949 1
1 112 . 5 1 1 A 16 16 ASP N N 16 119.368 118.797 0.571 1
1 113 . 5 1 1 A 17 17 LEU H H 17 7.757 7.945 -0.188 1
1 114 . 5 1 1 A 17 17 LEU HA H 17 4.641 4.802 -0.161 1
1 124 . 5 1 1 A 17 17 LEU C C 17 174.627 174.432 0.195 1
1 125 . 5 1 1 A 17 17 LEU CA C 17 53.286 51.973 1.313 1
1 126 . 5 1 1 A 17 17 LEU CB C 17 41.003 42.932 -1.929 1
1 130 . 5 1 1 A 17 17 LEU N N 17 122.770 119.864 2.906 1
1 131 . 5 1 1 A 18 18 PRO HA H 18 4.619 4.835 -0.216 1
1 138 . 5 1 1 A 18 18 PRO C C 18 175.014 176.100 -1.086 1
1 139 . 5 1 1 A 18 18 PRO CA C 18 62.756 62.780 -0.024 1
1 140 . 5 1 1 A 18 18 PRO CB C 18 32.631 32.325 0.306 1
1 143 . 5 1 1 A 19 19 GLN H H 19 8.295 8.347 -0.052 1
1 144 . 5 1 1 A 19 19 GLN HA H 19 5.396 5.095 0.301 1
1 151 . 5 1 1 A 19 19 GLN C C 19 176.012 175.017 0.995 1
1 152 . 5 1 1 A 19 19 GLN CA C 19 54.094 54.121 -0.027 1
1 153 . 5 1 1 A 19 19 GLN CB C 19 32.478 31.950 0.528 1
1 155 . 5 1 1 A 19 19 GLN N N 19 117.612 121.351 -3.739 1
1 157 . 5 1 1 A 20 20 VAL H H 20 9.005 8.430 0.575 1
1 158 . 5 1 1 A 20 20 VAL HA H 20 5.133 5.004 0.129 1
1 166 . 5 1 1 A 20 20 VAL C C 20 173.875 173.798 0.077 1
1 167 . 5 1 1 A 20 20 VAL CA C 20 57.486 59.111 -1.625 1
1 168 . 5 1 1 A 20 20 VAL CB C 20 35.076 35.254 -0.178 1
1 171 . 5 1 1 A 20 20 VAL N N 20 112.092 117.918 -5.826 1
1 172 . 5 1 1 A 21 21 GLU H H 21 8.901 8.453 0.448 1
1 173 . 5 1 1 A 21 21 GLU HA H 21 5.199 4.982 0.217 1
1 178 . 5 1 1 A 21 21 GLU C C 21 175.780 175.691 0.089 1
1 179 . 5 1 1 A 21 21 GLU CA C 21 53.268 55.185 -1.917 1
1 180 . 5 1 1 A 21 21 GLU CB C 21 32.997 31.346 1.651 1
1 182 . 5 1 1 A 21 21 GLU N N 21 119.970 123.703 -3.733 1
1 183 . 5 1 1 A 22 22 ILE H H 22 8.656 9.698 -1.042 1
1 184 . 5 1 1 A 22 22 ILE HA H 22 4.742 4.212 0.530 1
1 194 . 5 1 1 A 22 22 ILE C C 22 179.107 178.241 0.866 1
1 195 . 5 1 1 A 22 22 ILE CA C 22 58.064 61.794 -3.730 1
1 196 . 5 1 1 A 22 22 ILE CB C 22 34.481 36.914 -2.433 1
1 200 . 5 1 1 A 22 22 ILE N N 22 125.654 128.038 -2.384 1
1 201 . 5 1 1 A 23 23 THR H H 23 9.206 8.443 0.763 1
1 202 . 5 1 1 A 23 23 THR HA H 23 4.230 4.161 0.069 1
1 207 . 5 1 1 A 23 23 THR C C 23 174.481 174.465 0.016 1
1 208 . 5 1 1 A 23 23 THR CA C 23 62.787 64.300 -1.513 1
1 209 . 5 1 1 A 23 23 THR CB C 23 68.779 68.960 -0.181 1
1 211 . 5 1 1 A 23 23 THR N N 23 122.259 119.754 2.505 1
1 212 . 5 1 1 A 24 24 LYS H H 24 7.443 7.612 -0.169 1
1 213 . 5 1 1 A 24 24 LYS HA H 24 4.332 4.910 -0.578 1
1 222 . 5 1 1 A 24 24 LYS C C 24 172.169 175.352 -3.183 1
1 223 . 5 1 1 A 24 24 LYS CA C 24 55.154 54.706 0.448 1
1 224 . 5 1 1 A 24 24 LYS CB C 24 35.137 35.487 -0.350 1
1 228 . 5 1 1 A 24 24 LYS N N 24 121.874 117.809 4.065 1
1 229 . 5 1 1 A 25 25 ALA H H 25 8.259 8.633 -0.374 1
1 230 . 5 1 1 A 25 25 ALA HA H 25 3.914 4.624 -0.710 1
1 234 . 5 1 1 A 25 25 ALA C C 25 176.411 176.849 -0.438 1
1 235 . 5 1 1 A 25 25 ALA CA C 25 53.409 52.622 0.787 1
1 236 . 5 1 1 A 25 25 ALA CB C 25 19.113 19.108 0.005 1
1 237 . 5 1 1 A 25 25 ALA N N 25 121.708 124.391 -2.683 1
1 238 . 5 1 1 A 26 26 PHE H H 26 8.058 8.477 -0.419 1
1 239 . 5 1 1 A 26 26 PHE HA H 26 4.742 4.848 -0.106 1
1 247 . 5 1 1 A 26 26 PHE C C 26 172.769 174.505 -1.736 1
1 248 . 5 1 1 A 26 26 PHE CA C 26 56.354 56.715 -0.361 1
1 249 . 5 1 1 A 26 26 PHE CB C 26 42.608 39.720 2.888 1
1 255 . 5 1 1 A 26 26 PHE N N 26 121.151 121.531 -0.380 1
1 256 . 5 1 1 A 27 27 PHE H H 27 7.752 8.771 -1.019 1
1 257 . 5 1 1 A 27 27 PHE HA H 27 4.469 4.332 0.137 1
1 265 . 5 1 1 A 27 27 PHE C C 27 173.594 175.427 -1.833 1
1 266 . 5 1 1 A 27 27 PHE CA C 27 56.088 57.803 -1.715 1
1 267 . 5 1 1 A 27 27 PHE CB C 27 39.425 38.571 0.854 1
1 273 . 5 1 1 A 27 27 PHE N N 27 125.818 126.185 -0.367 1
1 274 . 5 1 1 A 28 28 ALA H H 28 8.045 7.750 0.295 1
1 275 . 5 1 1 A 28 28 ALA HA H 28 4.002 3.843 0.159 1
1 279 . 5 1 1 A 28 28 ALA C C 28 178.303 178.308 -0.005 1
1 280 . 5 1 1 A 28 28 ALA CA C 28 52.898 52.937 -0.039 1
1 281 . 5 1 1 A 28 28 ALA CB C 28 20.853 18.913 1.940 1
1 282 . 5 1 1 A 28 28 ALA N N 28 126.105 127.477 -1.372 1
1 283 . 5 1 1 A 29 29 LYS H H 29 9.282 9.304 -0.022 1
1 284 . 5 1 1 A 29 29 LYS HA H 29 4.524 4.621 -0.097 1
1 293 . 5 1 1 A 29 29 LYS C C 29 176.347 176.390 -0.043 1
1 294 . 5 1 1 A 29 29 LYS CA C 29 56.187 56.714 -0.527 1
1 295 . 5 1 1 A 29 29 LYS CB C 29 34.585 34.285 0.300 1
1 299 . 5 1 1 A 29 29 LYS N N 29 120.760 119.561 1.199 1
1 300 . 5 1 1 A 30 30 GLN H H 30 7.738 8.151 -0.413 1
1 301 . 5 1 1 A 30 30 GLN HA H 30 4.657 4.617 0.040 1
1 308 . 5 1 1 A 30 30 GLN C C 30 177.059 176.406 0.653 1
1 309 . 5 1 1 A 30 30 GLN CA C 30 53.885 54.306 -0.421 1
1 310 . 5 1 1 A 30 30 GLN CB C 30 31.349 30.595 0.754 1
1 312 . 5 1 1 A 30 30 GLN N N 30 116.957 118.942 -1.985 1
1 314 . 5 1 1 A 31 31 ALA H H 31 8.719 8.277 0.442 1
1 315 . 5 1 1 A 31 31 ALA HA H 31 4.189 4.351 -0.162 1
1 319 . 5 1 1 A 31 31 ALA C C 31 177.686 178.127 -0.441 1
1 320 . 5 1 1 A 31 31 ALA CA C 31 54.960 52.796 2.164 1
1 321 . 5 1 1 A 31 31 ALA CB C 31 18.859 19.633 -0.774 1
1 322 . 5 1 1 A 31 31 ALA N N 31 122.985 123.495 -0.510 1
1 323 . 5 1 1 A 32 32 ASP H H 32 8.436 8.209 0.227 1
1 324 . 5 1 1 A 32 32 ASP HA H 32 4.904 4.768 0.136 1
1 327 . 5 1 1 A 32 32 ASP C C 32 176.845 176.426 0.419 1
1 328 . 5 1 1 A 32 32 ASP CA C 32 54.044 54.245 -0.201 1
1 329 . 5 1 1 A 32 32 ASP CB C 32 40.166 41.462 -1.296 1
1 330 . 5 1 1 A 32 32 ASP N N 32 113.224 116.538 -3.314 1
1 331 . 5 1 1 A 33 33 GLU H H 33 7.632 8.100 -0.468 1
1 332 . 5 1 1 A 33 33 GLU HA H 33 5.578 5.190 0.388 1
1 337 . 5 1 1 A 33 33 GLU C C 33 175.518 175.479 0.039 1
1 338 . 5 1 1 A 33 33 GLU CA C 33 55.437 55.791 -0.354 1
1 339 . 5 1 1 A 33 33 GLU CB C 33 33.079 31.405 1.674 1
1 341 . 5 1 1 A 33 33 GLU N N 33 119.902 120.210 -0.308 1
1 342 . 5 1 1 A 34 34 VAL H H 34 8.311 9.008 -0.697 1
1 343 . 5 1 1 A 34 34 VAL HA H 34 4.791 4.849 -0.058 1
1 351 . 5 1 1 A 34 34 VAL C C 34 171.861 174.411 -2.550 1
1 352 . 5 1 1 A 34 34 VAL CA C 34 58.152 60.059 -1.907 1
1 353 . 5 1 1 A 34 34 VAL CB C 34 35.881 35.935 -0.054 1
1 356 . 5 1 1 A 34 34 VAL N N 34 119.872 120.654 -0.782 1
1 357 . 5 1 1 A 35 35 THR H H 35 8.047 8.693 -0.646 1
1 358 . 5 1 1 A 35 35 THR HA H 35 4.559 4.785 -0.226 1
1 363 . 5 1 1 A 35 35 THR C C 35 174.643 174.173 0.470 1
1 364 . 5 1 1 A 35 35 THR CA C 35 62.859 62.467 0.392 1
1 365 . 5 1 1 A 35 35 THR CB C 35 69.626 69.457 0.169 1
1 367 . 5 1 1 A 35 35 THR N N 35 123.767 122.177 1.590 1
1 368 . 5 1 1 A 36 36 LEU H H 36 9.001 8.518 0.483 1
1 369 . 5 1 1 A 36 36 LEU HA H 36 4.571 4.967 -0.396 1
1 379 . 5 1 1 A 36 36 LEU C C 36 176.087 175.690 0.397 1
1 380 . 5 1 1 A 36 36 LEU CA C 36 53.374 53.708 -0.334 1
1 381 . 5 1 1 A 36 36 LEU CB C 36 47.954 46.258 1.696 1
1 385 . 5 1 1 A 36 36 LEU N N 36 127.439 125.745 1.694 1
1 386 . 5 1 1 A 37 37 GLN H H 37 8.889 9.233 -0.344 1
1 387 . 5 1 1 A 37 37 GLN HA H 37 4.298 4.720 -0.422 1
1 394 . 5 1 1 A 37 37 GLN C C 37 175.508 175.207 0.301 1
1 395 . 5 1 1 A 37 37 GLN CA C 37 53.621 53.967 -0.346 1
1 396 . 5 1 1 A 37 37 GLN CB C 37 30.567 32.017 -1.450 1
1 398 . 5 1 1 A 37 37 GLN N N 37 121.687 120.118 1.569 1
1 400 . 5 1 1 A 38 38 GLN H H 38 8.517 8.571 -0.054 1
1 401 . 5 1 1 A 38 38 GLN HA H 38 3.378 3.906 -0.528 1
1 408 . 5 1 1 A 38 38 GLN C C 38 176.738 176.498 0.240 1
1 409 . 5 1 1 A 38 38 GLN CA C 38 58.584 57.212 1.372 1
1 410 . 5 1 1 A 38 38 GLN CB C 38 28.151 28.554 -0.403 1
1 412 . 5 1 1 A 38 38 GLN N N 38 120.664 121.789 -1.125 1
1 414 . 5 1 1 A 39 39 ALA H H 39 9.200 9.772 -0.572 1
1 415 . 5 1 1 A 39 39 ALA HA H 39 3.948 3.858 0.090 1
1 419 . 5 1 1 A 39 39 ALA C C 39 177.251 175.642 1.609 1
1 420 . 5 1 1 A 39 39 ALA CA C 39 54.731 53.121 1.610 1
1 421 . 5 1 1 A 39 39 ALA CB C 39 17.134 17.473 -0.339 1
1 422 . 5 1 1 A 39 39 ALA N N 39 123.253 123.562 -0.309 1
1 423 . 5 1 1 A 40 40 ASP H H 40 8.025 7.282 0.743 1
1 424 . 5 1 1 A 40 40 ASP HA H 40 4.498 5.109 -0.611 1
1 427 . 5 1 1 A 40 40 ASP C C 40 175.010 175.571 -0.561 1
1 428 . 5 1 1 A 40 40 ASP CA C 40 56.407 52.995 3.412 1
1 429 . 5 1 1 A 40 40 ASP CB C 40 41.713 42.896 -1.183 1
1 430 . 5 1 1 A 40 40 ASP N N 40 121.075 116.045 5.030 1
1 431 . 5 1 1 A 41 41 VAL H H 41 7.518 8.700 -1.182 1
1 432 . 5 1 1 A 41 41 VAL HA H 41 5.060 4.554 0.506 1
1 440 . 5 1 1 A 41 41 VAL C C 41 176.546 175.056 1.490 1
1 441 . 5 1 1 A 41 41 VAL CA C 41 61.818 61.413 0.405 1
1 442 . 5 1 1 A 41 41 VAL CB C 41 32.997 32.913 0.084 1
1 445 . 5 1 1 A 41 41 VAL N N 41 119.767 123.374 -3.607 1
1 446 . 5 1 1 A 42 42 VAL H H 42 9.086 8.188 0.898 1
1 447 . 5 1 1 A 42 42 VAL HA H 42 4.528 4.459 0.069 1
1 455 . 5 1 1 A 42 42 VAL C C 42 173.762 174.586 -0.824 1
1 456 . 5 1 1 A 42 42 VAL CA C 42 60.363 60.836 -0.473 1
1 457 . 5 1 1 A 42 42 VAL CB C 42 35.736 35.266 0.470 1
1 460 . 5 1 1 A 42 42 VAL N N 42 129.212 126.796 2.416 1
1 461 . 5 1 1 A 43 43 LEU H H 43 8.855 9.161 -0.306 1
1 462 . 5 1 1 A 43 43 LEU HA H 43 4.651 4.720 -0.069 1
1 472 . 5 1 1 A 43 43 LEU C C 43 175.853 175.589 0.264 1
1 473 . 5 1 1 A 43 43 LEU CA C 43 54.132 54.075 0.057 1
1 474 . 5 1 1 A 43 43 LEU CB C 43 44.039 43.155 0.884 1
1 478 . 5 1 1 A 43 43 LEU N N 43 128.624 130.122 -1.498 1
1 479 . 5 1 1 A 44 44 VAL H H 44 8.835 9.201 -0.366 1
1 480 . 5 1 1 A 44 44 VAL HA H 44 3.837 4.469 -0.632 1
1 488 . 5 1 1 A 44 44 VAL C C 44 174.445 175.704 -1.259 1
1 489 . 5 1 1 A 44 44 VAL CA C 44 64.603 63.678 0.925 1
1 490 . 5 1 1 A 44 44 VAL CB C 44 32.325 32.201 0.124 1
1 493 . 5 1 1 A 44 44 VAL N N 44 126.525 127.916 -1.391 1
1 494 . 5 1 1 A 45 45 LEU H H 45 9.166 10.023 -0.857 1
1 495 . 5 1 1 A 45 45 LEU HA H 45 4.488 4.543 -0.055 1
1 505 . 5 1 1 A 45 45 LEU C C 45 177.820 176.526 1.294 1
1 506 . 5 1 1 A 45 45 LEU CA C 45 56.137 55.664 0.473 1
1 507 . 5 1 1 A 45 45 LEU CB C 45 43.957 43.603 0.354 1
1 511 . 5 1 1 A 45 45 LEU N N 45 127.543 126.846 0.697 1
1 512 . 5 1 1 A 46 46 GLN H H 46 8.074 7.486 0.588 1
1 513 . 5 1 1 A 46 46 GLN HA H 46 4.643 4.793 -0.150 1
1 520 . 5 1 1 A 46 46 GLN C C 46 173.225 174.525 -1.300 1
1 521 . 5 1 1 A 46 46 GLN CA C 46 55.277 54.516 0.761 1
1 522 . 5 1 1 A 46 46 GLN CB C 46 33.285 31.224 2.061 1
1 524 . 5 1 1 A 46 46 GLN N N 46 115.961 116.815 -0.854 1
1 526 . 5 1 1 A 47 47 GLN H H 47 8.683 8.984 -0.301 1
1 527 . 5 1 1 A 47 47 GLN HA H 47 5.194 4.859 0.335 1
1 534 . 5 1 1 A 47 47 GLN C C 47 174.366 174.847 -0.481 1
1 535 . 5 1 1 A 47 47 GLN CA C 47 55.243 55.645 -0.402 1
1 536 . 5 1 1 A 47 47 GLN CB C 47 31.473 29.846 1.627 1
1 538 . 5 1 1 A 47 47 GLN N N 47 121.742 124.289 -2.547 1
1 540 . 5 1 1 A 48 48 GLU H H 48 9.201 9.225 -0.024 1
1 541 . 5 1 1 A 48 48 GLU HA H 48 4.669 5.048 -0.379 1
1 546 . 5 1 1 A 48 48 GLU C C 48 175.622 175.257 0.365 1
1 547 . 5 1 1 A 48 48 GLU CA C 48 56.134 54.837 1.297 1
1 548 . 5 1 1 A 48 48 GLU CB C 48 33.098 32.842 0.256 1
1 550 . 5 1 1 A 48 48 GLU N N 48 124.529 124.966 -0.437 1
1 551 . 5 1 1 A 49 49 ASP H H 49 9.177 8.918 0.259 1
1 552 . 5 1 1 A 49 49 ASP HA H 49 4.424 4.251 0.173 1
1 555 . 5 1 1 A 49 49 ASP C C 49 175.771 177.053 -1.282 1
1 556 . 5 1 1 A 49 49 ASP CA C 49 56.001 56.339 -0.338 1
1 557 . 5 1 1 A 49 49 ASP CB C 49 40.478 40.475 0.003 1
1 558 . 5 1 1 A 49 49 ASP N N 49 125.649 127.326 -1.677 1
1 559 . 5 1 1 A 50 50 GLY H H 50 8.750 8.825 -0.075 1
1 560 . 5 1 1 A 50 50 GLY HA2 H 50 4.266 3.992 0.274 1
1 561 . 5 1 1 A 50 50 GLY HA3 H 50 3.753 4.101 -0.348 1
1 562 . 5 1 1 A 50 50 GLY C C 50 174.455 173.708 0.747 1
1 563 . 5 1 1 A 50 50 GLY CA C 50 45.969 45.355 0.614 1
1 564 . 5 1 1 A 50 50 GLY N N 50 108.057 111.189 -3.132 1
1 565 . 5 1 1 A 51 51 TRP H H 51 8.427 8.873 -0.446 1
1 566 . 5 1 1 A 51 51 TRP HA H 51 4.877 5.287 -0.410 1
1 575 . 5 1 1 A 51 51 TRP C C 51 173.525 175.589 -2.064 1
1 576 . 5 1 1 A 51 51 TRP CA C 51 57.270 55.556 1.714 1
1 577 . 5 1 1 A 51 51 TRP CB C 51 32.690 33.865 -1.175 1
1 583 . 5 1 1 A 51 51 TRP N N 51 122.784 121.087 1.697 1
1 585 . 5 1 1 A 52 52 LEU H H 52 9.368 9.226 0.142 1
1 586 . 5 1 1 A 52 52 LEU HA H 52 4.987 4.913 0.074 1
1 596 . 5 1 1 A 52 52 LEU C C 52 173.005 174.392 -1.387 1
1 597 . 5 1 1 A 52 52 LEU CA C 52 52.634 52.957 -0.323 1
1 598 . 5 1 1 A 52 52 LEU CB C 52 43.833 43.235 0.598 1
1 602 . 5 1 1 A 52 52 LEU N N 52 121.750 123.600 -1.850 1
1 603 . 5 1 1 A 53 53 TYR H H 53 8.267 9.498 -1.231 1
1 604 . 5 1 1 A 53 53 TYR HA H 53 4.513 4.469 0.044 1
1 611 . 5 1 1 A 53 53 TYR C C 53 176.111 175.124 0.987 1
1 612 . 5 1 1 A 53 53 TYR CA C 53 55.283 57.657 -2.374 1
1 613 . 5 1 1 A 53 53 TYR CB C 53 39.251 38.899 0.352 1
1 618 . 5 1 1 A 53 53 TYR N N 53 122.457 126.337 -3.880 1
1 619 . 5 1 1 A 54 54 GLY H H 54 8.238 7.832 0.406 1
1 620 . 5 1 1 A 54 54 GLY HA2 H 54 4.706 4.128 0.578 1
1 621 . 5 1 1 A 54 54 GLY HA3 H 54 3.802 4.387 -0.585 1
1 622 . 5 1 1 A 54 54 GLY C C 54 168.928 171.482 -2.554 1
1 623 . 5 1 1 A 54 54 GLY CA C 54 45.792 45.723 0.069 1
1 624 . 5 1 1 A 54 54 GLY N N 54 112.598 111.957 0.641 1
1 625 . 5 1 1 A 55 55 GLU H H 55 8.400 9.196 -0.796 1
1 626 . 5 1 1 A 55 55 GLU HA H 55 4.718 5.086 -0.368 1
1 631 . 5 1 1 A 55 55 GLU C C 55 175.540 175.394 0.146 1
1 632 . 5 1 1 A 55 55 GLU CA C 55 53.268 54.766 -1.498 1
1 633 . 5 1 1 A 55 55 GLU CB C 55 34.264 33.140 1.124 1
1 635 . 5 1 1 A 55 55 GLU N N 55 118.345 120.490 -2.145 1
1 636 . 5 1 1 A 56 56 ARG H H 56 9.654 9.444 0.210 1
1 637 . 5 1 1 A 56 56 ARG HA H 56 4.309 4.404 -0.095 1
1 645 . 5 1 1 A 56 56 ARG C C 56 176.838 176.442 0.396 1
1 646 . 5 1 1 A 56 56 ARG CA C 56 57.492 56.632 0.860 1
1 647 . 5 1 1 A 56 56 ARG CB C 56 30.854 30.741 0.113 1
1 650 . 5 1 1 A 56 56 ARG N N 56 129.571 127.813 1.758 1
1 652 . 5 1 1 A 57 57 LEU H H 57 8.195 8.206 -0.011 1
1 653 . 5 1 1 A 57 57 LEU HA H 57 4.021 4.143 -0.122 1
1 663 . 5 1 1 A 57 57 LEU C C 57 179.671 178.884 0.787 1
1 664 . 5 1 1 A 57 57 LEU CA C 57 58.338 56.881 1.457 1
1 665 . 5 1 1 A 57 57 LEU CB C 57 41.939 41.378 0.561 1
1 669 . 5 1 1 A 57 57 LEU N N 57 129.973 127.182 2.791 1
1 670 . 5 1 1 A 58 58 ARG H H 58 8.494 8.125 0.369 1
1 671 . 5 1 1 A 58 58 ARG HA H 58 4.112 3.993 0.119 1
1 678 . 5 1 1 A 58 58 ARG C C 58 176.402 177.918 -1.516 1
1 679 . 5 1 1 A 58 58 ARG CA C 58 59.139 59.636 -0.497 1
1 680 . 5 1 1 A 58 58 ARG CB C 58 30.106 30.126 -0.020 1
1 683 . 5 1 1 A 58 58 ARG N N 58 115.005 120.964 -5.959 1
1 684 . 5 1 1 A 59 59 ASP H H 59 7.392 8.115 -0.723 1
1 685 . 5 1 1 A 59 59 ASP HA H 59 4.803 4.680 0.123 1
1 688 . 5 1 1 A 59 59 ASP C C 59 176.801 176.381 0.420 1
1 689 . 5 1 1 A 59 59 ASP CA C 59 52.827 54.111 -1.284 1
1 690 . 5 1 1 A 59 59 ASP CB C 59 42.144 42.456 -0.312 1
1 691 . 5 1 1 A 59 59 ASP N N 59 113.739 116.145 -2.406 1
1 692 . 5 1 1 A 60 60 GLY H H 60 8.435 8.228 0.207 1
1 693 . 5 1 1 A 60 60 GLY HA2 H 60 4.125 3.967 0.158 1
1 694 . 5 1 1 A 60 60 GLY HA3 H 60 3.868 3.978 -0.110 1
1 695 . 5 1 1 A 60 60 GLY C C 60 174.707 174.503 0.204 1
1 696 . 5 1 1 A 60 60 GLY CA C 60 45.917 44.964 0.953 1
1 697 . 5 1 1 A 60 60 GLY N N 60 110.642 105.430 5.212 1
1 698 . 5 1 1 A 61 61 GLU H H 61 7.527 7.918 -0.391 1
1 699 . 5 1 1 A 61 61 GLU HA H 61 4.163 4.274 -0.111 1
1 704 . 5 1 1 A 61 61 GLU C C 61 176.225 176.023 0.202 1
1 705 . 5 1 1 A 61 61 GLU CA C 61 58.222 57.157 1.065 1
1 706 . 5 1 1 A 61 61 GLU CB C 61 29.825 30.282 -0.457 1
1 708 . 5 1 1 A 61 61 GLU N N 61 123.061 121.682 1.379 1
1 709 . 5 1 1 A 62 62 THR H H 62 8.451 8.735 -0.284 1
1 710 . 5 1 1 A 62 62 THR HA H 62 5.666 5.048 0.618 1
1 715 . 5 1 1 A 62 62 THR C C 62 174.469 173.973 0.496 1
1 716 . 5 1 1 A 62 62 THR CA C 62 59.826 60.483 -0.657 1
1 717 . 5 1 1 A 62 62 THR CB C 62 72.751 69.927 2.824 1
1 719 . 5 1 1 A 62 62 THR N N 62 117.411 121.467 -4.056 1
1 720 . 5 1 1 A 63 63 GLY H H 63 7.931 8.266 -0.335 1
1 721 . 5 1 1 A 63 63 GLY HA2 H 63 4.124 4.454 -0.330 1
1 722 . 5 1 1 A 63 63 GLY HA3 H 63 3.936 4.553 -0.617 1
1 723 . 5 1 1 A 63 63 GLY C C 63 170.896 172.108 -1.212 1
1 724 . 5 1 1 A 63 63 GLY CA C 63 45.652 45.440 0.212 1
1 725 . 5 1 1 A 63 63 GLY N N 63 108.439 112.112 -3.673 1
1 726 . 5 1 1 A 64 64 TRP H H 64 9.071 9.377 -0.306 1
1 727 . 5 1 1 A 64 64 TRP HA H 64 6.061 5.678 0.383 1
1 736 . 5 1 1 A 64 64 TRP C C 64 177.395 176.206 1.189 1
1 737 . 5 1 1 A 64 64 TRP CA C 64 57.259 56.901 0.358 1
1 738 . 5 1 1 A 64 64 TRP CB C 64 31.882 30.875 1.007 1
1 744 . 5 1 1 A 64 64 TRP N N 64 119.762 120.509 -0.747 1
1 746 . 5 1 1 A 65 65 PHE H H 65 9.657 9.333 0.324 1
1 747 . 5 1 1 A 65 65 PHE HA H 65 4.823 5.271 -0.448 1
1 755 . 5 1 1 A 65 65 PHE C C 65 170.814 172.803 -1.989 1
1 756 . 5 1 1 A 65 65 PHE CA C 65 55.578 55.052 0.526 1
1 757 . 5 1 1 A 65 65 PHE CB C 65 38.245 41.901 -3.656 1
1 763 . 5 1 1 A 65 65 PHE N N 65 116.076 119.702 -3.626 1
1 764 . 5 1 1 A 66 66 PRO HA H 66 3.546 4.354 -0.808 1
1 771 . 5 1 1 A 66 66 PRO C C 66 177.963 177.960 0.003 1
1 772 . 5 1 1 A 66 66 PRO CA C 66 62.065 62.440 -0.375 1
1 773 . 5 1 1 A 66 66 PRO CB C 66 31.116 32.152 -1.036 1
1 776 . 5 1 1 A 67 67 GLU H H 67 8.081 8.619 -0.538 1
1 777 . 5 1 1 A 67 67 GLU HA H 67 3.651 4.224 -0.573 1
1 782 . 5 1 1 A 67 67 GLU C C 67 177.298 178.803 -1.505 1
1 783 . 5 1 1 A 67 67 GLU CA C 67 58.746 59.343 -0.597 1
1 784 . 5 1 1 A 67 67 GLU CB C 67 29.820 29.103 0.717 1
1 786 . 5 1 1 A 67 67 GLU N N 67 121.549 122.468 -0.919 1
1 787 . 5 1 1 A 68 68 ASP H H 68 8.456 8.174 0.282 1
1 788 . 5 1 1 A 68 68 ASP HA H 68 4.539 4.365 0.174 1
1 791 . 5 1 1 A 68 68 ASP C C 68 176.157 177.529 -1.372 1
1 792 . 5 1 1 A 68 68 ASP CA C 68 55.225 56.555 -1.330 1
1 793 . 5 1 1 A 68 68 ASP CB C 68 39.633 40.889 -1.256 1
1 794 . 5 1 1 A 68 68 ASP N N 68 113.915 120.937 -7.022 1
1 795 . 5 1 1 A 69 69 PHE H H 69 7.661 7.739 -0.078 1
1 796 . 5 1 1 A 69 69 PHE HA H 69 4.386 4.635 -0.249 1
1 803 . 5 1 1 A 69 69 PHE C C 69 173.252 174.490 -1.238 1
1 804 . 5 1 1 A 69 69 PHE CA C 69 57.758 57.154 0.604 1
1 805 . 5 1 1 A 69 69 PHE CB C 69 37.019 37.998 -0.979 1
1 810 . 5 1 1 A 69 69 PHE N N 69 119.727 115.866 3.861 1
1 811 . 5 1 1 A 70 70 ALA H H 70 7.809 7.732 0.077 1
1 812 . 5 1 1 A 70 70 ALA HA H 70 5.256 4.836 0.420 1
1 816 . 5 1 1 A 70 70 ALA C C 70 175.703 175.213 0.490 1
1 817 . 5 1 1 A 70 70 ALA CA C 70 50.800 51.502 -0.702 1
1 818 . 5 1 1 A 70 70 ALA CB C 70 24.061 22.490 1.571 1
1 819 . 5 1 1 A 70 70 ALA N N 70 121.782 121.060 0.722 1
1 820 . 5 1 1 A 71 71 ARG H H 71 8.792 8.653 0.139 1
1 821 . 5 1 1 A 71 71 ARG HA H 71 4.828 5.086 -0.258 1
1 828 . 5 1 1 A 71 71 ARG C C 71 175.613 174.700 0.913 1
1 829 . 5 1 1 A 71 71 ARG CA C 71 54.220 54.534 -0.314 1
1 830 . 5 1 1 A 71 71 ARG CB C 71 33.286 33.894 -0.608 1
1 833 . 5 1 1 A 71 71 ARG N N 71 119.543 117.454 2.089 1
1 834 . 5 1 1 A 72 72 PHE H H 72 9.194 8.967 0.227 1
1 835 . 5 1 1 A 72 72 PHE HA H 72 4.604 4.482 0.122 1
1 843 . 5 1 1 A 72 72 PHE C C 72 176.818 175.627 1.191 1
1 844 . 5 1 1 A 72 72 PHE CA C 72 59.896 58.389 1.507 1
1 845 . 5 1 1 A 72 72 PHE CB C 72 39.079 38.386 0.693 1
1 851 . 5 1 1 A 72 72 PHE N N 72 125.006 122.227 2.779 1
1 852 . 5 1 1 A 73 73 ILE H H 73 8.574 8.354 0.220 1
1 853 . 5 1 1 A 73 73 ILE HA H 73 4.390 3.846 0.544 1
1 863 . 5 1 1 A 73 73 ILE C C 73 176.086 176.889 -0.803 1
1 864 . 5 1 1 A 73 73 ILE CA C 73 61.450 64.676 -3.226 1
1 865 . 5 1 1 A 73 73 ILE CB C 73 39.508 38.209 1.299 1
1 869 . 5 1 1 A 73 73 ILE N N 73 120.816 127.834 -7.018 1
1 870 . 5 1 1 A 74 74 SER H H 74 8.329 7.828 0.501 1
1 871 . 5 1 1 A 74 74 SER HA H 74 4.626 5.052 -0.426 1
1 874 . 5 1 1 A 74 74 SER C C 74 174.223 173.424 0.799 1
1 875 . 5 1 1 A 74 74 SER CA C 74 58.169 57.530 0.639 1
1 876 . 5 1 1 A 74 74 SER CB C 74 64.370 65.588 -1.218 1
1 877 . 5 1 1 A 74 74 SER N N 74 118.251 113.355 4.896 1
1 878 . 5 1 1 A 75 75 GLY H H 75 8.372 8.979 -0.607 1
1 879 . 5 1 1 A 75 75 GLY HA2 H 75 4.149 4.291 -0.142 1
1 880 . 5 1 1 A 75 75 GLY HA3 H 75 4.149 4.405 -0.256 1
1 881 . 5 1 1 A 75 75 GLY C C 75 171.907 172.329 -0.422 1
1 882 . 5 1 1 A 75 75 GLY CA C 75 44.682 44.684 -0.002 1
1 883 . 5 1 1 A 75 75 GLY N N 75 109.951 112.866 -2.915 1
1 884 . 5 1 1 A 76 76 PRO HA H 76 4.456 4.601 -0.145 1
1 891 . 5 1 1 A 76 76 PRO CA C 76 63.394 62.487 0.907 1
1 892 . 5 1 1 A 76 76 PRO CB C 76 32.180 33.181 -1.001 1
1 1 . 6 1 1 A 6 6 SER HA H 6 4.486 5.002 -0.516 1
1 3 . 6 1 1 A 6 6 SER CA C 6 58.492 57.411 1.081 1
1 4 . 6 1 1 A 6 6 SER CB C 6 64.343 65.943 -1.600 1
1 5 . 6 1 1 A 7 7 GLY H H 7 8.044 8.342 -0.298 1
1 6 . 6 1 1 A 7 7 GLY HA2 H 7 4.458 4.234 0.224 1
1 7 . 6 1 1 A 7 7 GLY HA3 H 7 3.780 4.360 -0.580 1
1 8 . 6 1 1 A 7 7 GLY C C 7 174.131 171.970 2.161 1
1 9 . 6 1 1 A 7 7 GLY CA C 7 45.458 46.086 -0.628 1
1 10 . 6 1 1 A 7 7 GLY N N 7 116.867 107.231 9.636 1
1 11 . 6 1 1 A 8 8 TRP H H 8 8.111 8.587 -0.476 1
1 12 . 6 1 1 A 8 8 TRP HA H 8 4.626 4.729 -0.103 1
1 21 . 6 1 1 A 8 8 TRP C C 8 176.673 176.652 0.021 1
1 22 . 6 1 1 A 8 8 TRP CA C 8 57.729 57.069 0.660 1
1 23 . 6 1 1 A 8 8 TRP CB C 8 29.413 28.500 0.913 1
1 29 . 6 1 1 A 8 8 TRP N N 8 121.258 122.640 -1.382 1
1 31 . 6 1 1 A 9 9 GLN H H 9 8.229 7.915 0.314 1
1 32 . 6 1 1 A 9 9 GLN HA H 9 4.133 3.894 0.239 1
1 39 . 6 1 1 A 9 9 GLN C C 9 176.147 178.749 -2.602 1
1 40 . 6 1 1 A 9 9 GLN CA C 9 56.283 59.432 -3.149 1
1 41 . 6 1 1 A 9 9 GLN CB C 9 29.125 28.181 0.944 1
1 43 . 6 1 1 A 9 9 GLN N N 9 122.756 126.293 -3.537 1
1 45 . 6 1 1 A 10 10 GLY H H 10 7.500 8.309 -0.809 1
1 46 . 6 1 1 A 10 10 GLY HA2 H 10 3.744 3.713 0.031 1
1 47 . 6 1 1 A 10 10 GLY HA3 H 10 3.714 3.731 -0.017 1
1 48 . 6 1 1 A 10 10 GLY C C 10 174.092 175.806 -1.714 1
1 49 . 6 1 1 A 10 10 GLY CA C 10 45.335 47.307 -1.972 1
1 50 . 6 1 1 A 10 10 GLY N N 10 108.221 107.170 1.051 1
1 51 . 6 1 1 A 11 11 LEU H H 11 8.029 7.842 0.187 1
1 52 . 6 1 1 A 11 11 LEU HA H 11 4.368 4.409 -0.041 1
1 62 . 6 1 1 A 11 11 LEU C C 11 177.808 175.759 2.049 1
1 63 . 6 1 1 A 11 11 LEU CA C 11 55.348 55.603 -0.255 1
1 64 . 6 1 1 A 11 11 LEU CB C 11 42.515 42.142 0.373 1
1 68 . 6 1 1 A 11 11 LEU N N 11 121.136 123.103 -1.967 1
1 69 . 6 1 1 A 12 12 SER H H 12 8.388 8.587 -0.199 1
1 70 . 6 1 1 A 12 12 SER HA H 12 4.370 4.822 -0.452 1
1 73 . 6 1 1 A 12 12 SER CA C 12 58.716 57.923 0.793 1
1 74 . 6 1 1 A 12 12 SER CB C 12 63.835 63.413 0.422 1
1 75 . 6 1 1 A 12 12 SER N N 12 116.252 121.725 -5.473 1
1 76 . 6 1 1 A 13 13 SER HA H 13 4.481 4.383 0.098 1
1 79 . 6 1 1 A 13 13 SER C C 13 175.161 175.038 0.123 1
1 80 . 6 1 1 A 13 13 SER CA C 13 58.442 62.138 -3.696 1
1 81 . 6 1 1 A 13 13 SER CB C 13 63.798 63.486 0.312 1
1 82 . 6 1 1 A 14 14 LYS H H 14 8.372 8.079 0.293 1
1 83 . 6 1 1 A 14 14 LYS HA H 14 4.226 4.383 -0.157 1
1 92 . 6 1 1 A 14 14 LYS C C 14 177.249 174.780 2.469 1
1 93 . 6 1 1 A 14 14 LYS CA C 14 57.303 56.640 0.663 1
1 94 . 6 1 1 A 14 14 LYS CB C 14 32.694 31.914 0.780 1
1 98 . 6 1 1 A 14 14 LYS N N 14 123.245 119.763 3.482 1
1 99 . 6 1 1 A 15 15 GLY H H 15 8.213 8.591 -0.378 1
1 100 . 6 1 1 A 15 15 GLY HA2 H 15 3.924 4.200 -0.276 1
1 101 . 6 1 1 A 15 15 GLY HA3 H 15 3.924 4.201 -0.277 1
1 102 . 6 1 1 A 15 15 GLY C C 15 173.863 171.859 2.004 1
1 103 . 6 1 1 A 15 15 GLY CA C 15 45.599 46.302 -0.703 1
1 104 . 6 1 1 A 15 15 GLY N N 15 107.368 110.881 -3.513 1
1 105 . 6 1 1 A 16 16 ASP H H 16 8.091 8.344 -0.253 1
1 106 . 6 1 1 A 16 16 ASP HA H 16 4.711 4.861 -0.150 1
1 109 . 6 1 1 A 16 16 ASP C C 16 176.074 175.535 0.539 1
1 110 . 6 1 1 A 16 16 ASP CA C 16 54.167 53.539 0.628 1
1 111 . 6 1 1 A 16 16 ASP CB C 16 41.155 41.233 -0.078 1
1 112 . 6 1 1 A 16 16 ASP N N 16 119.368 125.569 -6.201 1
1 113 . 6 1 1 A 17 17 LEU H H 17 7.757 7.254 0.503 1
1 114 . 6 1 1 A 17 17 LEU HA H 17 4.641 4.410 0.231 1
1 124 . 6 1 1 A 17 17 LEU C C 17 174.627 174.686 -0.059 1
1 125 . 6 1 1 A 17 17 LEU CA C 17 53.286 53.787 -0.501 1
1 126 . 6 1 1 A 17 17 LEU CB C 17 41.003 41.158 -0.155 1
1 130 . 6 1 1 A 17 17 LEU N N 17 122.770 121.789 0.981 1
1 131 . 6 1 1 A 18 18 PRO HA H 18 4.619 4.846 -0.227 1
1 138 . 6 1 1 A 18 18 PRO C C 18 175.014 176.137 -1.123 1
1 139 . 6 1 1 A 18 18 PRO CA C 18 62.756 62.628 0.128 1
1 140 . 6 1 1 A 18 18 PRO CB C 18 32.631 32.836 -0.205 1
1 143 . 6 1 1 A 19 19 GLN H H 19 8.295 8.433 -0.138 1
1 144 . 6 1 1 A 19 19 GLN HA H 19 5.396 4.971 0.425 1
1 151 . 6 1 1 A 19 19 GLN C C 19 176.012 174.825 1.187 1
1 152 . 6 1 1 A 19 19 GLN CA C 19 54.094 54.144 -0.050 1
1 153 . 6 1 1 A 19 19 GLN CB C 19 32.478 32.125 0.353 1
1 155 . 6 1 1 A 19 19 GLN N N 19 117.612 120.111 -2.499 1
1 157 . 6 1 1 A 20 20 VAL H H 20 9.005 8.180 0.825 1
1 158 . 6 1 1 A 20 20 VAL HA H 20 5.133 4.798 0.335 1
1 166 . 6 1 1 A 20 20 VAL C C 20 173.875 173.802 0.073 1
1 167 . 6 1 1 A 20 20 VAL CA C 20 57.486 59.046 -1.560 1
1 168 . 6 1 1 A 20 20 VAL CB C 20 35.076 35.566 -0.490 1
1 171 . 6 1 1 A 20 20 VAL N N 20 112.092 117.746 -5.654 1
1 172 . 6 1 1 A 21 21 GLU H H 21 8.901 8.343 0.558 1
1 173 . 6 1 1 A 21 21 GLU HA H 21 5.199 5.021 0.178 1
1 178 . 6 1 1 A 21 21 GLU C C 21 175.780 175.633 0.147 1
1 179 . 6 1 1 A 21 21 GLU CA C 21 53.268 55.297 -2.029 1
1 180 . 6 1 1 A 21 21 GLU CB C 21 32.997 31.457 1.540 1
1 182 . 6 1 1 A 21 21 GLU N N 21 119.970 123.335 -3.365 1
1 183 . 6 1 1 A 22 22 ILE H H 22 8.656 9.377 -0.721 1
1 184 . 6 1 1 A 22 22 ILE HA H 22 4.742 4.386 0.356 1
1 194 . 6 1 1 A 22 22 ILE C C 22 179.107 178.103 1.004 1
1 195 . 6 1 1 A 22 22 ILE CA C 22 58.064 61.598 -3.534 1
1 196 . 6 1 1 A 22 22 ILE CB C 22 34.481 36.894 -2.413 1
1 200 . 6 1 1 A 22 22 ILE N N 22 125.654 128.056 -2.402 1
1 201 . 6 1 1 A 23 23 THR H H 23 9.206 8.464 0.742 1
1 202 . 6 1 1 A 23 23 THR HA H 23 4.230 4.066 0.164 1
1 207 . 6 1 1 A 23 23 THR C C 23 174.481 174.764 -0.283 1
1 208 . 6 1 1 A 23 23 THR CA C 23 62.787 65.558 -2.771 1
1 209 . 6 1 1 A 23 23 THR CB C 23 68.779 68.787 -0.008 1
1 211 . 6 1 1 A 23 23 THR N N 23 122.259 120.918 1.341 1
1 212 . 6 1 1 A 24 24 LYS H H 24 7.443 7.636 -0.193 1
1 213 . 6 1 1 A 24 24 LYS HA H 24 4.332 4.983 -0.651 1
1 222 . 6 1 1 A 24 24 LYS C C 24 172.169 176.018 -3.849 1
1 223 . 6 1 1 A 24 24 LYS CA C 24 55.154 54.538 0.616 1
1 224 . 6 1 1 A 24 24 LYS CB C 24 35.137 35.744 -0.607 1
1 228 . 6 1 1 A 24 24 LYS N N 24 121.874 118.331 3.543 1
1 229 . 6 1 1 A 25 25 ALA H H 25 8.259 8.576 -0.317 1
1 230 . 6 1 1 A 25 25 ALA HA H 25 3.914 4.756 -0.842 1
1 234 . 6 1 1 A 25 25 ALA C C 25 176.411 176.854 -0.443 1
1 235 . 6 1 1 A 25 25 ALA CA C 25 53.409 52.961 0.448 1
1 236 . 6 1 1 A 25 25 ALA CB C 25 19.113 19.070 0.043 1
1 237 . 6 1 1 A 25 25 ALA N N 25 121.708 124.247 -2.539 1
1 238 . 6 1 1 A 26 26 PHE H H 26 8.058 9.061 -1.003 1
1 239 . 6 1 1 A 26 26 PHE HA H 26 4.742 5.269 -0.527 1
1 247 . 6 1 1 A 26 26 PHE C C 26 172.769 173.352 -0.583 1
1 248 . 6 1 1 A 26 26 PHE CA C 26 56.354 56.730 -0.376 1
1 249 . 6 1 1 A 26 26 PHE CB C 26 42.608 42.446 0.162 1
1 255 . 6 1 1 A 26 26 PHE N N 26 121.151 123.955 -2.804 1
1 256 . 6 1 1 A 27 27 PHE H H 27 7.752 9.140 -1.388 1
1 257 . 6 1 1 A 27 27 PHE HA H 27 4.469 4.750 -0.281 1
1 265 . 6 1 1 A 27 27 PHE C C 27 173.594 174.552 -0.958 1
1 266 . 6 1 1 A 27 27 PHE CA C 27 56.088 56.374 -0.286 1
1 267 . 6 1 1 A 27 27 PHE CB C 27 39.425 40.568 -1.143 1
1 273 . 6 1 1 A 27 27 PHE N N 27 125.818 124.947 0.871 1
1 274 . 6 1 1 A 28 28 ALA H H 28 8.045 8.297 -0.252 1
1 275 . 6 1 1 A 28 28 ALA HA H 28 4.002 4.084 -0.082 1
1 279 . 6 1 1 A 28 28 ALA C C 28 178.303 178.438 -0.135 1
1 280 . 6 1 1 A 28 28 ALA CA C 28 52.898 52.735 0.163 1
1 281 . 6 1 1 A 28 28 ALA CB C 28 20.853 19.055 1.798 1
1 282 . 6 1 1 A 28 28 ALA N N 28 126.105 127.025 -0.920 1
1 283 . 6 1 1 A 29 29 LYS H H 29 9.282 10.066 -0.784 1
1 284 . 6 1 1 A 29 29 LYS HA H 29 4.524 4.611 -0.087 1
1 293 . 6 1 1 A 29 29 LYS C C 29 176.347 176.261 0.086 1
1 294 . 6 1 1 A 29 29 LYS CA C 29 56.187 56.866 -0.679 1
1 295 . 6 1 1 A 29 29 LYS CB C 29 34.585 34.281 0.304 1
1 299 . 6 1 1 A 29 29 LYS N N 29 120.760 119.390 1.370 1
1 300 . 6 1 1 A 30 30 GLN H H 30 7.738 7.804 -0.066 1
1 301 . 6 1 1 A 30 30 GLN HA H 30 4.657 4.617 0.040 1
1 308 . 6 1 1 A 30 30 GLN C C 30 177.059 176.572 0.487 1
1 309 . 6 1 1 A 30 30 GLN CA C 30 53.885 54.524 -0.639 1
1 310 . 6 1 1 A 30 30 GLN CB C 30 31.349 31.055 0.294 1
1 312 . 6 1 1 A 30 30 GLN N N 30 116.957 119.074 -2.117 1
1 314 . 6 1 1 A 31 31 ALA H H 31 8.719 8.358 0.361 1
1 315 . 6 1 1 A 31 31 ALA HA H 31 4.189 4.229 -0.040 1
1 319 . 6 1 1 A 31 31 ALA C C 31 177.686 177.828 -0.142 1
1 320 . 6 1 1 A 31 31 ALA CA C 31 54.960 53.250 1.710 1
1 321 . 6 1 1 A 31 31 ALA CB C 31 18.859 19.469 -0.610 1
1 322 . 6 1 1 A 31 31 ALA N N 31 122.985 123.087 -0.102 1
1 323 . 6 1 1 A 32 32 ASP H H 32 8.436 7.959 0.477 1
1 324 . 6 1 1 A 32 32 ASP HA H 32 4.904 4.832 0.072 1
1 327 . 6 1 1 A 32 32 ASP C C 32 176.845 176.720 0.125 1
1 328 . 6 1 1 A 32 32 ASP CA C 32 54.044 54.876 -0.832 1
1 329 . 6 1 1 A 32 32 ASP CB C 32 40.166 41.800 -1.634 1
1 330 . 6 1 1 A 32 32 ASP N N 32 113.224 117.894 -4.670 1
1 331 . 6 1 1 A 33 33 GLU H H 33 7.632 8.095 -0.463 1
1 332 . 6 1 1 A 33 33 GLU HA H 33 5.578 4.941 0.637 1
1 337 . 6 1 1 A 33 33 GLU C C 33 175.518 175.383 0.135 1
1 338 . 6 1 1 A 33 33 GLU CA C 33 55.437 56.533 -1.096 1
1 339 . 6 1 1 A 33 33 GLU CB C 33 33.079 31.012 2.067 1
1 341 . 6 1 1 A 33 33 GLU N N 33 119.902 118.147 1.755 1
1 342 . 6 1 1 A 34 34 VAL H H 34 8.311 8.851 -0.540 1
1 343 . 6 1 1 A 34 34 VAL HA H 34 4.791 4.908 -0.117 1
1 351 . 6 1 1 A 34 34 VAL C C 34 171.861 174.330 -2.469 1
1 352 . 6 1 1 A 34 34 VAL CA C 34 58.152 59.916 -1.764 1
1 353 . 6 1 1 A 34 34 VAL CB C 34 35.881 35.732 0.149 1
1 356 . 6 1 1 A 34 34 VAL N N 34 119.872 120.985 -1.113 1
1 357 . 6 1 1 A 35 35 THR H H 35 8.047 8.657 -0.610 1
1 358 . 6 1 1 A 35 35 THR HA H 35 4.559 4.698 -0.139 1
1 363 . 6 1 1 A 35 35 THR C C 35 174.643 173.994 0.649 1
1 364 . 6 1 1 A 35 35 THR CA C 35 62.859 62.539 0.320 1
1 365 . 6 1 1 A 35 35 THR CB C 35 69.626 69.329 0.297 1
1 367 . 6 1 1 A 35 35 THR N N 35 123.767 122.937 0.830 1
1 368 . 6 1 1 A 36 36 LEU H H 36 9.001 8.630 0.371 1
1 369 . 6 1 1 A 36 36 LEU HA H 36 4.571 5.039 -0.468 1
1 379 . 6 1 1 A 36 36 LEU C C 36 176.087 175.700 0.387 1
1 380 . 6 1 1 A 36 36 LEU CA C 36 53.374 53.769 -0.395 1
1 381 . 6 1 1 A 36 36 LEU CB C 36 47.954 45.630 2.324 1
1 385 . 6 1 1 A 36 36 LEU N N 36 127.439 125.999 1.440 1
1 386 . 6 1 1 A 37 37 GLN H H 37 8.889 8.920 -0.031 1
1 387 . 6 1 1 A 37 37 GLN HA H 37 4.298 4.680 -0.382 1
1 394 . 6 1 1 A 37 37 GLN C C 37 175.508 175.032 0.476 1
1 395 . 6 1 1 A 37 37 GLN CA C 37 53.621 54.083 -0.462 1
1 396 . 6 1 1 A 37 37 GLN CB C 37 30.567 31.395 -0.828 1
1 398 . 6 1 1 A 37 37 GLN N N 37 121.687 120.265 1.422 1
1 400 . 6 1 1 A 38 38 GLN H H 38 8.517 8.563 -0.046 1
1 401 . 6 1 1 A 38 38 GLN HA H 38 3.378 3.996 -0.618 1
1 408 . 6 1 1 A 38 38 GLN C C 38 176.738 176.365 0.373 1
1 409 . 6 1 1 A 38 38 GLN CA C 38 58.584 57.073 1.511 1
1 410 . 6 1 1 A 38 38 GLN CB C 38 28.151 28.748 -0.597 1
1 412 . 6 1 1 A 38 38 GLN N N 38 120.664 122.038 -1.374 1
1 414 . 6 1 1 A 39 39 ALA H H 39 9.200 9.726 -0.526 1
1 415 . 6 1 1 A 39 39 ALA HA H 39 3.948 3.861 0.087 1
1 419 . 6 1 1 A 39 39 ALA C C 39 177.251 175.828 1.423 1
1 420 . 6 1 1 A 39 39 ALA CA C 39 54.731 53.076 1.655 1
1 421 . 6 1 1 A 39 39 ALA CB C 39 17.134 17.414 -0.280 1
1 422 . 6 1 1 A 39 39 ALA N N 39 123.253 123.625 -0.372 1
1 423 . 6 1 1 A 40 40 ASP H H 40 8.025 7.272 0.753 1
1 424 . 6 1 1 A 40 40 ASP HA H 40 4.498 5.146 -0.648 1
1 427 . 6 1 1 A 40 40 ASP C C 40 175.010 175.189 -0.179 1
1 428 . 6 1 1 A 40 40 ASP CA C 40 56.407 52.984 3.423 1
1 429 . 6 1 1 A 40 40 ASP CB C 40 41.713 43.306 -1.593 1
1 430 . 6 1 1 A 40 40 ASP N N 40 121.075 115.750 5.325 1
1 431 . 6 1 1 A 41 41 VAL H H 41 7.518 8.450 -0.932 1
1 432 . 6 1 1 A 41 41 VAL HA H 41 5.060 4.672 0.388 1
1 440 . 6 1 1 A 41 41 VAL C C 41 176.546 175.328 1.218 1
1 441 . 6 1 1 A 41 41 VAL CA C 41 61.818 61.217 0.601 1
1 442 . 6 1 1 A 41 41 VAL CB C 41 32.997 33.422 -0.425 1
1 445 . 6 1 1 A 41 41 VAL N N 41 119.767 121.271 -1.504 1
1 446 . 6 1 1 A 42 42 VAL H H 42 9.086 8.093 0.993 1
1 447 . 6 1 1 A 42 42 VAL HA H 42 4.528 4.540 -0.012 1
1 455 . 6 1 1 A 42 42 VAL C C 42 173.762 174.584 -0.822 1
1 456 . 6 1 1 A 42 42 VAL CA C 42 60.363 60.867 -0.504 1
1 457 . 6 1 1 A 42 42 VAL CB C 42 35.736 35.139 0.597 1
1 460 . 6 1 1 A 42 42 VAL N N 42 129.212 126.493 2.719 1
1 461 . 6 1 1 A 43 43 LEU H H 43 8.855 9.346 -0.491 1
1 462 . 6 1 1 A 43 43 LEU HA H 43 4.651 4.730 -0.079 1
1 472 . 6 1 1 A 43 43 LEU C C 43 175.853 175.655 0.198 1
1 473 . 6 1 1 A 43 43 LEU CA C 43 54.132 54.086 0.046 1
1 474 . 6 1 1 A 43 43 LEU CB C 43 44.039 43.123 0.916 1
1 478 . 6 1 1 A 43 43 LEU N N 43 128.624 130.193 -1.569 1
1 479 . 6 1 1 A 44 44 VAL H H 44 8.835 9.061 -0.226 1
1 480 . 6 1 1 A 44 44 VAL HA H 44 3.837 4.481 -0.644 1
1 488 . 6 1 1 A 44 44 VAL C C 44 174.445 175.702 -1.257 1
1 489 . 6 1 1 A 44 44 VAL CA C 44 64.603 63.688 0.915 1
1 490 . 6 1 1 A 44 44 VAL CB C 44 32.325 32.163 0.162 1
1 493 . 6 1 1 A 44 44 VAL N N 44 126.525 127.838 -1.313 1
1 494 . 6 1 1 A 45 45 LEU H H 45 9.166 10.053 -0.887 1
1 495 . 6 1 1 A 45 45 LEU HA H 45 4.488 4.515 -0.027 1
1 505 . 6 1 1 A 45 45 LEU C C 45 177.820 176.493 1.327 1
1 506 . 6 1 1 A 45 45 LEU CA C 45 56.137 55.637 0.500 1
1 507 . 6 1 1 A 45 45 LEU CB C 45 43.957 43.614 0.343 1
1 511 . 6 1 1 A 45 45 LEU N N 45 127.543 126.810 0.733 1
1 512 . 6 1 1 A 46 46 GLN H H 46 8.074 7.484 0.590 1
1 513 . 6 1 1 A 46 46 GLN HA H 46 4.643 4.721 -0.078 1
1 520 . 6 1 1 A 46 46 GLN C C 46 173.225 174.498 -1.273 1
1 521 . 6 1 1 A 46 46 GLN CA C 46 55.277 54.406 0.871 1
1 522 . 6 1 1 A 46 46 GLN CB C 46 33.285 31.145 2.140 1
1 524 . 6 1 1 A 46 46 GLN N N 46 115.961 116.802 -0.841 1
1 526 . 6 1 1 A 47 47 GLN H H 47 8.683 8.918 -0.235 1
1 527 . 6 1 1 A 47 47 GLN HA H 47 5.194 4.821 0.373 1
1 534 . 6 1 1 A 47 47 GLN C C 47 174.366 174.735 -0.369 1
1 535 . 6 1 1 A 47 47 GLN CA C 47 55.243 55.358 -0.115 1
1 536 . 6 1 1 A 47 47 GLN CB C 47 31.473 29.727 1.746 1
1 538 . 6 1 1 A 47 47 GLN N N 47 121.742 123.989 -2.247 1
1 540 . 6 1 1 A 48 48 GLU H H 48 9.201 9.155 0.046 1
1 541 . 6 1 1 A 48 48 GLU HA H 48 4.669 5.059 -0.390 1
1 546 . 6 1 1 A 48 48 GLU C C 48 175.622 175.293 0.329 1
1 547 . 6 1 1 A 48 48 GLU CA C 48 56.134 54.907 1.227 1
1 548 . 6 1 1 A 48 48 GLU CB C 48 33.098 32.714 0.384 1
1 550 . 6 1 1 A 48 48 GLU N N 48 124.529 125.293 -0.764 1
1 551 . 6 1 1 A 49 49 ASP H H 49 9.177 8.811 0.366 1
1 552 . 6 1 1 A 49 49 ASP HA H 49 4.424 4.323 0.101 1
1 555 . 6 1 1 A 49 49 ASP C C 49 175.771 176.913 -1.142 1
1 556 . 6 1 1 A 49 49 ASP CA C 49 56.001 56.030 -0.029 1
1 557 . 6 1 1 A 49 49 ASP CB C 49 40.478 40.559 -0.081 1
1 558 . 6 1 1 A 49 49 ASP N N 49 125.649 127.924 -2.275 1
1 559 . 6 1 1 A 50 50 GLY H H 50 8.750 8.805 -0.055 1
1 560 . 6 1 1 A 50 50 GLY HA2 H 50 4.266 4.073 0.193 1
1 561 . 6 1 1 A 50 50 GLY HA3 H 50 3.753 4.172 -0.419 1
1 562 . 6 1 1 A 50 50 GLY C C 50 174.455 173.737 0.718 1
1 563 . 6 1 1 A 50 50 GLY CA C 50 45.969 45.479 0.490 1
1 564 . 6 1 1 A 50 50 GLY N N 50 108.057 113.259 -5.202 1
1 565 . 6 1 1 A 51 51 TRP H H 51 8.427 8.912 -0.485 1
1 566 . 6 1 1 A 51 51 TRP HA H 51 4.877 5.328 -0.451 1
1 575 . 6 1 1 A 51 51 TRP C C 51 173.525 175.515 -1.990 1
1 576 . 6 1 1 A 51 51 TRP CA C 51 57.270 55.648 1.622 1
1 577 . 6 1 1 A 51 51 TRP CB C 51 32.690 34.138 -1.448 1
1 583 . 6 1 1 A 51 51 TRP N N 51 122.784 120.795 1.989 1
1 585 . 6 1 1 A 52 52 LEU H H 52 9.368 9.135 0.233 1
1 586 . 6 1 1 A 52 52 LEU HA H 52 4.987 4.881 0.106 1
1 596 . 6 1 1 A 52 52 LEU C C 52 173.005 174.256 -1.251 1
1 597 . 6 1 1 A 52 52 LEU CA C 52 52.634 52.827 -0.193 1
1 598 . 6 1 1 A 52 52 LEU CB C 52 43.833 42.961 0.872 1
1 602 . 6 1 1 A 52 52 LEU N N 52 121.750 122.559 -0.809 1
1 603 . 6 1 1 A 53 53 TYR H H 53 8.267 9.391 -1.124 1
1 604 . 6 1 1 A 53 53 TYR HA H 53 4.513 4.587 -0.074 1
1 611 . 6 1 1 A 53 53 TYR C C 53 176.111 175.111 1.000 1
1 612 . 6 1 1 A 53 53 TYR CA C 53 55.283 57.691 -2.408 1
1 613 . 6 1 1 A 53 53 TYR CB C 53 39.251 38.987 0.264 1
1 618 . 6 1 1 A 53 53 TYR N N 53 122.457 126.439 -3.982 1
1 619 . 6 1 1 A 54 54 GLY H H 54 8.238 7.736 0.502 1
1 620 . 6 1 1 A 54 54 GLY HA2 H 54 4.706 4.086 0.620 1
1 621 . 6 1 1 A 54 54 GLY HA3 H 54 3.802 4.340 -0.538 1
1 622 . 6 1 1 A 54 54 GLY C C 54 168.928 171.300 -2.372 1
1 623 . 6 1 1 A 54 54 GLY CA C 54 45.792 45.701 0.091 1
1 624 . 6 1 1 A 54 54 GLY N N 54 112.598 111.930 0.668 1
1 625 . 6 1 1 A 55 55 GLU H H 55 8.400 9.206 -0.806 1
1 626 . 6 1 1 A 55 55 GLU HA H 55 4.718 5.184 -0.466 1
1 631 . 6 1 1 A 55 55 GLU C C 55 175.540 175.277 0.263 1
1 632 . 6 1 1 A 55 55 GLU CA C 55 53.268 54.781 -1.513 1
1 633 . 6 1 1 A 55 55 GLU CB C 55 34.264 32.957 1.307 1
1 635 . 6 1 1 A 55 55 GLU N N 55 118.345 120.714 -2.369 1
1 636 . 6 1 1 A 56 56 ARG H H 56 9.654 9.552 0.102 1
1 637 . 6 1 1 A 56 56 ARG HA H 56 4.309 4.296 0.013 1
1 645 . 6 1 1 A 56 56 ARG C C 56 176.838 176.464 0.374 1
1 646 . 6 1 1 A 56 56 ARG CA C 56 57.492 56.126 1.366 1
1 647 . 6 1 1 A 56 56 ARG CB C 56 30.854 29.811 1.043 1
1 650 . 6 1 1 A 56 56 ARG N N 56 129.571 127.678 1.893 1
1 652 . 6 1 1 A 57 57 LEU H H 57 8.195 8.003 0.192 1
1 653 . 6 1 1 A 57 57 LEU HA H 57 4.021 4.241 -0.220 1
1 663 . 6 1 1 A 57 57 LEU C C 57 179.671 178.454 1.217 1
1 664 . 6 1 1 A 57 57 LEU CA C 57 58.338 57.704 0.634 1
1 665 . 6 1 1 A 57 57 LEU CB C 57 41.939 41.340 0.599 1
1 669 . 6 1 1 A 57 57 LEU N N 57 129.973 126.693 3.280 1
1 670 . 6 1 1 A 58 58 ARG H H 58 8.494 8.077 0.417 1
1 671 . 6 1 1 A 58 58 ARG HA H 58 4.112 3.952 0.160 1
1 678 . 6 1 1 A 58 58 ARG C C 58 176.402 178.104 -1.702 1
1 679 . 6 1 1 A 58 58 ARG CA C 58 59.139 59.593 -0.454 1
1 680 . 6 1 1 A 58 58 ARG CB C 58 30.106 30.153 -0.047 1
1 683 . 6 1 1 A 58 58 ARG N N 58 115.005 120.570 -5.565 1
1 684 . 6 1 1 A 59 59 ASP H H 59 7.392 7.750 -0.358 1
1 685 . 6 1 1 A 59 59 ASP HA H 59 4.803 4.747 0.056 1
1 688 . 6 1 1 A 59 59 ASP C C 59 176.801 176.396 0.405 1
1 689 . 6 1 1 A 59 59 ASP CA C 59 52.827 54.057 -1.230 1
1 690 . 6 1 1 A 59 59 ASP CB C 59 42.144 42.279 -0.135 1
1 691 . 6 1 1 A 59 59 ASP N N 59 113.739 117.184 -3.445 1
1 692 . 6 1 1 A 60 60 GLY H H 60 8.435 8.726 -0.291 1
1 693 . 6 1 1 A 60 60 GLY HA2 H 60 4.125 3.998 0.127 1
1 694 . 6 1 1 A 60 60 GLY HA3 H 60 3.868 4.009 -0.141 1
1 695 . 6 1 1 A 60 60 GLY C C 60 174.707 174.644 0.063 1
1 696 . 6 1 1 A 60 60 GLY CA C 60 45.917 45.005 0.912 1
1 697 . 6 1 1 A 60 60 GLY N N 60 110.642 107.464 3.178 1
1 698 . 6 1 1 A 61 61 GLU H H 61 7.527 7.891 -0.364 1
1 699 . 6 1 1 A 61 61 GLU HA H 61 4.163 4.325 -0.162 1
1 704 . 6 1 1 A 61 61 GLU C C 61 176.225 175.241 0.984 1
1 705 . 6 1 1 A 61 61 GLU CA C 61 58.222 57.486 0.736 1
1 706 . 6 1 1 A 61 61 GLU CB C 61 29.825 30.585 -0.760 1
1 708 . 6 1 1 A 61 61 GLU N N 61 123.061 120.876 2.185 1
1 709 . 6 1 1 A 62 62 THR H H 62 8.451 8.766 -0.315 1
1 710 . 6 1 1 A 62 62 THR HA H 62 5.666 5.093 0.573 1
1 715 . 6 1 1 A 62 62 THR C C 62 174.469 174.096 0.373 1
1 716 . 6 1 1 A 62 62 THR CA C 62 59.826 60.528 -0.702 1
1 717 . 6 1 1 A 62 62 THR CB C 62 72.751 70.282 2.469 1
1 719 . 6 1 1 A 62 62 THR N N 62 117.411 118.255 -0.844 1
1 720 . 6 1 1 A 63 63 GLY H H 63 7.931 8.262 -0.331 1
1 721 . 6 1 1 A 63 63 GLY HA2 H 63 4.124 4.460 -0.336 1
1 722 . 6 1 1 A 63 63 GLY HA3 H 63 3.936 4.575 -0.639 1
1 723 . 6 1 1 A 63 63 GLY C C 63 170.896 171.971 -1.075 1
1 724 . 6 1 1 A 63 63 GLY CA C 63 45.652 45.443 0.209 1
1 725 . 6 1 1 A 63 63 GLY N N 63 108.439 112.147 -3.708 1
1 726 . 6 1 1 A 64 64 TRP H H 64 9.071 9.613 -0.542 1
1 727 . 6 1 1 A 64 64 TRP HA H 64 6.061 5.656 0.405 1
1 736 . 6 1 1 A 64 64 TRP C C 64 177.395 176.674 0.721 1
1 737 . 6 1 1 A 64 64 TRP CA C 64 57.259 56.623 0.636 1
1 738 . 6 1 1 A 64 64 TRP CB C 64 31.882 31.006 0.876 1
1 744 . 6 1 1 A 64 64 TRP N N 64 119.762 120.719 -0.957 1
1 746 . 6 1 1 A 65 65 PHE H H 65 9.657 9.374 0.283 1
1 747 . 6 1 1 A 65 65 PHE HA H 65 4.823 5.732 -0.909 1
1 755 . 6 1 1 A 65 65 PHE C C 65 170.814 173.535 -2.721 1
1 756 . 6 1 1 A 65 65 PHE CA C 65 55.578 54.904 0.674 1
1 757 . 6 1 1 A 65 65 PHE CB C 65 38.245 42.313 -4.068 1
1 763 . 6 1 1 A 65 65 PHE N N 65 116.076 120.516 -4.440 1
1 764 . 6 1 1 A 66 66 PRO HA H 66 3.546 4.257 -0.711 1
1 771 . 6 1 1 A 66 66 PRO C C 66 177.963 177.702 0.261 1
1 772 . 6 1 1 A 66 66 PRO CA C 66 62.065 62.099 -0.034 1
1 773 . 6 1 1 A 66 66 PRO CB C 66 31.116 31.909 -0.793 1
1 776 . 6 1 1 A 67 67 GLU H H 67 8.081 8.599 -0.518 1
1 777 . 6 1 1 A 67 67 GLU HA H 67 3.651 4.089 -0.438 1
1 782 . 6 1 1 A 67 67 GLU C C 67 177.298 179.030 -1.732 1
1 783 . 6 1 1 A 67 67 GLU CA C 67 58.746 59.127 -0.381 1
1 784 . 6 1 1 A 67 67 GLU CB C 67 29.820 29.060 0.760 1
1 786 . 6 1 1 A 67 67 GLU N N 67 121.549 122.080 -0.531 1
1 787 . 6 1 1 A 68 68 ASP H H 68 8.456 8.209 0.247 1
1 788 . 6 1 1 A 68 68 ASP HA H 68 4.539 4.327 0.212 1
1 791 . 6 1 1 A 68 68 ASP C C 68 176.157 177.471 -1.314 1
1 792 . 6 1 1 A 68 68 ASP CA C 68 55.225 56.712 -1.487 1
1 793 . 6 1 1 A 68 68 ASP CB C 68 39.633 40.665 -1.032 1
1 794 . 6 1 1 A 68 68 ASP N N 68 113.915 120.876 -6.961 1
1 795 . 6 1 1 A 69 69 PHE H H 69 7.661 7.914 -0.253 1
1 796 . 6 1 1 A 69 69 PHE HA H 69 4.386 4.619 -0.233 1
1 803 . 6 1 1 A 69 69 PHE C C 69 173.252 174.900 -1.648 1
1 804 . 6 1 1 A 69 69 PHE CA C 69 57.758 57.253 0.505 1
1 805 . 6 1 1 A 69 69 PHE CB C 69 37.019 39.019 -2.000 1
1 810 . 6 1 1 A 69 69 PHE N N 69 119.727 116.898 2.829 1
1 811 . 6 1 1 A 70 70 ALA H H 70 7.809 8.712 -0.903 1
1 812 . 6 1 1 A 70 70 ALA HA H 70 5.256 4.878 0.378 1
1 816 . 6 1 1 A 70 70 ALA C C 70 175.703 175.208 0.495 1
1 817 . 6 1 1 A 70 70 ALA CA C 70 50.800 51.276 -0.476 1
1 818 . 6 1 1 A 70 70 ALA CB C 70 24.061 23.278 0.783 1
1 819 . 6 1 1 A 70 70 ALA N N 70 121.782 120.622 1.160 1
1 820 . 6 1 1 A 71 71 ARG H H 71 8.792 8.410 0.382 1
1 821 . 6 1 1 A 71 71 ARG HA H 71 4.828 5.065 -0.237 1
1 828 . 6 1 1 A 71 71 ARG C C 71 175.613 175.690 -0.077 1
1 829 . 6 1 1 A 71 71 ARG CA C 71 54.220 54.118 0.102 1
1 830 . 6 1 1 A 71 71 ARG CB C 71 33.286 32.701 0.585 1
1 833 . 6 1 1 A 71 71 ARG N N 71 119.543 118.083 1.460 1
1 834 . 6 1 1 A 72 72 PHE H H 72 9.194 8.936 0.258 1
1 835 . 6 1 1 A 72 72 PHE HA H 72 4.604 4.401 0.203 1
1 843 . 6 1 1 A 72 72 PHE C C 72 176.818 175.986 0.832 1
1 844 . 6 1 1 A 72 72 PHE CA C 72 59.896 59.208 0.688 1
1 845 . 6 1 1 A 72 72 PHE CB C 72 39.079 38.876 0.203 1
1 851 . 6 1 1 A 72 72 PHE N N 72 125.006 123.677 1.329 1
1 852 . 6 1 1 A 73 73 ILE H H 73 8.574 8.379 0.195 1
1 853 . 6 1 1 A 73 73 ILE HA H 73 4.390 3.922 0.468 1
1 863 . 6 1 1 A 73 73 ILE C C 73 176.086 176.283 -0.197 1
1 864 . 6 1 1 A 73 73 ILE CA C 73 61.450 64.481 -3.031 1
1 865 . 6 1 1 A 73 73 ILE CB C 73 39.508 38.260 1.248 1
1 869 . 6 1 1 A 73 73 ILE N N 73 120.816 127.901 -7.085 1
1 870 . 6 1 1 A 74 74 SER H H 74 8.329 7.987 0.342 1
1 871 . 6 1 1 A 74 74 SER HA H 74 4.626 4.957 -0.331 1
1 874 . 6 1 1 A 74 74 SER C C 74 174.223 173.457 0.766 1
1 875 . 6 1 1 A 74 74 SER CA C 74 58.169 56.625 1.544 1
1 876 . 6 1 1 A 74 74 SER CB C 74 64.370 65.902 -1.532 1
1 877 . 6 1 1 A 74 74 SER N N 74 118.251 112.398 5.853 1
1 878 . 6 1 1 A 75 75 GLY H H 75 8.372 8.733 -0.361 1
1 879 . 6 1 1 A 75 75 GLY HA2 H 75 4.149 4.258 -0.109 1
1 880 . 6 1 1 A 75 75 GLY HA3 H 75 4.149 4.330 -0.181 1
1 881 . 6 1 1 A 75 75 GLY C C 75 171.907 171.755 0.152 1
1 882 . 6 1 1 A 75 75 GLY CA C 75 44.682 45.015 -0.333 1
1 883 . 6 1 1 A 75 75 GLY N N 75 109.951 110.397 -0.446 1
1 884 . 6 1 1 A 76 76 PRO HA H 76 4.456 4.682 -0.226 1
1 891 . 6 1 1 A 76 76 PRO CA C 76 63.394 62.508 0.886 1
1 892 . 6 1 1 A 76 76 PRO CB C 76 32.180 33.426 -1.246 1
1 1 . 7 1 1 A 6 6 SER HA H 6 4.486 4.579 -0.093 1
1 3 . 7 1 1 A 6 6 SER CA C 6 58.492 59.518 -1.026 1
1 4 . 7 1 1 A 6 6 SER CB C 6 64.343 65.262 -0.919 1
1 5 . 7 1 1 A 7 7 GLY H H 7 8.044 7.970 0.074 1
1 6 . 7 1 1 A 7 7 GLY HA2 H 7 4.458 4.098 0.360 1
1 7 . 7 1 1 A 7 7 GLY HA3 H 7 3.780 4.155 -0.375 1
1 8 . 7 1 1 A 7 7 GLY C C 7 174.131 173.664 0.467 1
1 9 . 7 1 1 A 7 7 GLY CA C 7 45.458 44.784 0.674 1
1 10 . 7 1 1 A 7 7 GLY N N 7 116.867 107.592 9.275 1
1 11 . 7 1 1 A 8 8 TRP H H 8 8.111 8.749 -0.638 1
1 12 . 7 1 1 A 8 8 TRP HA H 8 4.626 4.904 -0.278 1
1 21 . 7 1 1 A 8 8 TRP C C 8 176.673 176.298 0.375 1
1 22 . 7 1 1 A 8 8 TRP CA C 8 57.729 57.890 -0.161 1
1 23 . 7 1 1 A 8 8 TRP CB C 8 29.413 31.009 -1.596 1
1 29 . 7 1 1 A 8 8 TRP N N 8 121.258 123.157 -1.899 1
1 31 . 7 1 1 A 9 9 GLN H H 9 8.229 8.936 -0.707 1
1 32 . 7 1 1 A 9 9 GLN HA H 9 4.133 4.686 -0.553 1
1 39 . 7 1 1 A 9 9 GLN C C 9 176.147 175.030 1.117 1
1 40 . 7 1 1 A 9 9 GLN CA C 9 56.283 55.609 0.674 1
1 41 . 7 1 1 A 9 9 GLN CB C 9 29.125 31.962 -2.837 1
1 43 . 7 1 1 A 9 9 GLN N N 9 122.756 121.681 1.075 1
1 45 . 7 1 1 A 10 10 GLY H H 10 7.500 8.763 -1.263 1
1 46 . 7 1 1 A 10 10 GLY HA2 H 10 3.744 3.960 -0.216 1
1 47 . 7 1 1 A 10 10 GLY HA3 H 10 3.714 3.965 -0.251 1
1 48 . 7 1 1 A 10 10 GLY C C 10 174.092 174.898 -0.806 1
1 49 . 7 1 1 A 10 10 GLY CA C 10 45.335 46.780 -1.445 1
1 50 . 7 1 1 A 10 10 GLY N N 10 108.221 113.738 -5.517 1
1 51 . 7 1 1 A 11 11 LEU H H 11 8.029 7.718 0.311 1
1 52 . 7 1 1 A 11 11 LEU HA H 11 4.368 4.655 -0.287 1
1 62 . 7 1 1 A 11 11 LEU C C 11 177.808 175.749 2.059 1
1 63 . 7 1 1 A 11 11 LEU CA C 11 55.348 53.450 1.898 1
1 64 . 7 1 1 A 11 11 LEU CB C 11 42.515 42.046 0.469 1
1 68 . 7 1 1 A 11 11 LEU N N 11 121.136 116.933 4.203 1
1 69 . 7 1 1 A 12 12 SER H H 12 8.388 8.035 0.353 1
1 70 . 7 1 1 A 12 12 SER HA H 12 4.370 4.896 -0.526 1
1 73 . 7 1 1 A 12 12 SER CA C 12 58.716 57.119 1.597 1
1 74 . 7 1 1 A 12 12 SER CB C 12 63.835 65.567 -1.732 1
1 75 . 7 1 1 A 12 12 SER N N 12 116.252 115.948 0.304 1
1 76 . 7 1 1 A 13 13 SER HA H 13 4.481 4.737 -0.256 1
1 79 . 7 1 1 A 13 13 SER C C 13 175.161 174.500 0.661 1
1 80 . 7 1 1 A 13 13 SER CA C 13 58.442 59.373 -0.931 1
1 81 . 7 1 1 A 13 13 SER CB C 13 63.798 63.724 0.074 1
1 82 . 7 1 1 A 14 14 LYS H H 14 8.372 8.594 -0.222 1
1 83 . 7 1 1 A 14 14 LYS HA H 14 4.226 5.038 -0.812 1
1 92 . 7 1 1 A 14 14 LYS C C 14 177.249 175.764 1.485 1
1 93 . 7 1 1 A 14 14 LYS CA C 14 57.303 54.387 2.916 1
1 94 . 7 1 1 A 14 14 LYS CB C 14 32.694 35.278 -2.584 1
1 98 . 7 1 1 A 14 14 LYS N N 14 123.245 124.344 -1.099 1
1 99 . 7 1 1 A 15 15 GLY H H 15 8.213 8.477 -0.264 1
1 100 . 7 1 1 A 15 15 GLY HA2 H 15 3.924 4.256 -0.332 1
1 101 . 7 1 1 A 15 15 GLY HA3 H 15 3.924 4.259 -0.335 1
1 102 . 7 1 1 A 15 15 GLY C C 15 173.863 171.859 2.004 1
1 103 . 7 1 1 A 15 15 GLY CA C 15 45.599 46.266 -0.667 1
1 104 . 7 1 1 A 15 15 GLY N N 15 107.368 107.199 0.169 1
1 105 . 7 1 1 A 16 16 ASP H H 16 8.091 8.429 -0.338 1
1 106 . 7 1 1 A 16 16 ASP HA H 16 4.711 5.015 -0.304 1
1 109 . 7 1 1 A 16 16 ASP C C 16 176.074 175.228 0.846 1
1 110 . 7 1 1 A 16 16 ASP CA C 16 54.167 53.162 1.005 1
1 111 . 7 1 1 A 16 16 ASP CB C 16 41.155 41.680 -0.525 1
1 112 . 7 1 1 A 16 16 ASP N N 16 119.368 124.925 -5.557 1
1 113 . 7 1 1 A 17 17 LEU H H 17 7.757 8.289 -0.532 1
1 114 . 7 1 1 A 17 17 LEU HA H 17 4.641 4.548 0.093 1
1 124 . 7 1 1 A 17 17 LEU C C 17 174.627 174.602 0.025 1
1 125 . 7 1 1 A 17 17 LEU CA C 17 53.286 53.416 -0.130 1
1 126 . 7 1 1 A 17 17 LEU CB C 17 41.003 40.755 0.248 1
1 130 . 7 1 1 A 17 17 LEU N N 17 122.770 125.326 -2.556 1
1 131 . 7 1 1 A 18 18 PRO HA H 18 4.619 4.768 -0.149 1
1 138 . 7 1 1 A 18 18 PRO C C 18 175.014 175.524 -0.510 1
1 139 . 7 1 1 A 18 18 PRO CA C 18 62.756 62.471 0.285 1
1 140 . 7 1 1 A 18 18 PRO CB C 18 32.631 33.358 -0.727 1
1 143 . 7 1 1 A 19 19 GLN H H 19 8.295 8.443 -0.148 1
1 144 . 7 1 1 A 19 19 GLN HA H 19 5.396 4.722 0.674 1
1 151 . 7 1 1 A 19 19 GLN C C 19 176.012 174.385 1.627 1
1 152 . 7 1 1 A 19 19 GLN CA C 19 54.094 54.227 -0.133 1
1 153 . 7 1 1 A 19 19 GLN CB C 19 32.478 33.236 -0.758 1
1 155 . 7 1 1 A 19 19 GLN N N 19 117.612 118.856 -1.244 1
1 157 . 7 1 1 A 20 20 VAL H H 20 9.005 8.122 0.883 1
1 158 . 7 1 1 A 20 20 VAL HA H 20 5.133 4.985 0.148 1
1 166 . 7 1 1 A 20 20 VAL C C 20 173.875 173.398 0.477 1
1 167 . 7 1 1 A 20 20 VAL CA C 20 57.486 58.986 -1.500 1
1 168 . 7 1 1 A 20 20 VAL CB C 20 35.076 35.483 -0.407 1
1 171 . 7 1 1 A 20 20 VAL N N 20 112.092 117.235 -5.143 1
1 172 . 7 1 1 A 21 21 GLU H H 21 8.901 8.572 0.329 1
1 173 . 7 1 1 A 21 21 GLU HA H 21 5.199 4.919 0.280 1
1 178 . 7 1 1 A 21 21 GLU C C 21 175.780 175.798 -0.018 1
1 179 . 7 1 1 A 21 21 GLU CA C 21 53.268 54.688 -1.420 1
1 180 . 7 1 1 A 21 21 GLU CB C 21 32.997 31.485 1.512 1
1 182 . 7 1 1 A 21 21 GLU N N 21 119.970 122.717 -2.747 1
1 183 . 7 1 1 A 22 22 ILE H H 22 8.656 9.400 -0.744 1
1 184 . 7 1 1 A 22 22 ILE HA H 22 4.742 4.163 0.579 1
1 194 . 7 1 1 A 22 22 ILE C C 22 179.107 177.537 1.570 1
1 195 . 7 1 1 A 22 22 ILE CA C 22 58.064 62.190 -4.126 1
1 196 . 7 1 1 A 22 22 ILE CB C 22 34.481 37.920 -3.439 1
1 200 . 7 1 1 A 22 22 ILE N N 22 125.654 128.087 -2.433 1
1 201 . 7 1 1 A 23 23 THR H H 23 9.206 9.065 0.141 1
1 202 . 7 1 1 A 23 23 THR HA H 23 4.230 4.476 -0.246 1
1 207 . 7 1 1 A 23 23 THR C C 23 174.481 174.892 -0.411 1
1 208 . 7 1 1 A 23 23 THR CA C 23 62.787 62.548 0.239 1
1 209 . 7 1 1 A 23 23 THR CB C 23 68.779 69.394 -0.615 1
1 211 . 7 1 1 A 23 23 THR N N 23 122.259 119.298 2.961 1
1 212 . 7 1 1 A 24 24 LYS H H 24 7.443 7.607 -0.164 1
1 213 . 7 1 1 A 24 24 LYS HA H 24 4.332 4.932 -0.600 1
1 222 . 7 1 1 A 24 24 LYS C C 24 172.169 175.555 -3.386 1
1 223 . 7 1 1 A 24 24 LYS CA C 24 55.154 54.597 0.557 1
1 224 . 7 1 1 A 24 24 LYS CB C 24 35.137 35.564 -0.427 1
1 228 . 7 1 1 A 24 24 LYS N N 24 121.874 118.215 3.659 1
1 229 . 7 1 1 A 25 25 ALA H H 25 8.259 8.655 -0.396 1
1 230 . 7 1 1 A 25 25 ALA HA H 25 3.914 4.637 -0.723 1
1 234 . 7 1 1 A 25 25 ALA C C 25 176.411 176.671 -0.260 1
1 235 . 7 1 1 A 25 25 ALA CA C 25 53.409 52.884 0.525 1
1 236 . 7 1 1 A 25 25 ALA CB C 25 19.113 19.097 0.016 1
1 237 . 7 1 1 A 25 25 ALA N N 25 121.708 124.234 -2.526 1
1 238 . 7 1 1 A 26 26 PHE H H 26 8.058 8.511 -0.453 1
1 239 . 7 1 1 A 26 26 PHE HA H 26 4.742 5.131 -0.389 1
1 247 . 7 1 1 A 26 26 PHE C C 26 172.769 174.117 -1.348 1
1 248 . 7 1 1 A 26 26 PHE CA C 26 56.354 55.569 0.785 1
1 249 . 7 1 1 A 26 26 PHE CB C 26 42.608 40.146 2.462 1
1 255 . 7 1 1 A 26 26 PHE N N 26 121.151 123.962 -2.811 1
1 256 . 7 1 1 A 27 27 PHE H H 27 7.752 8.550 -0.798 1
1 257 . 7 1 1 A 27 27 PHE HA H 27 4.469 4.334 0.135 1
1 265 . 7 1 1 A 27 27 PHE C C 27 173.594 175.410 -1.816 1
1 266 . 7 1 1 A 27 27 PHE CA C 27 56.088 58.938 -2.850 1
1 267 . 7 1 1 A 27 27 PHE CB C 27 39.425 39.079 0.346 1
1 273 . 7 1 1 A 27 27 PHE N N 27 125.818 126.384 -0.566 1
1 274 . 7 1 1 A 28 28 ALA H H 28 8.045 8.040 0.005 1
1 275 . 7 1 1 A 28 28 ALA HA H 28 4.002 3.965 0.037 1
1 279 . 7 1 1 A 28 28 ALA C C 28 178.303 178.370 -0.067 1
1 280 . 7 1 1 A 28 28 ALA CA C 28 52.898 52.665 0.233 1
1 281 . 7 1 1 A 28 28 ALA CB C 28 20.853 19.043 1.810 1
1 282 . 7 1 1 A 28 28 ALA N N 28 126.105 127.416 -1.311 1
1 283 . 7 1 1 A 29 29 LYS H H 29 9.282 9.634 -0.352 1
1 284 . 7 1 1 A 29 29 LYS HA H 29 4.524 4.634 -0.110 1
1 293 . 7 1 1 A 29 29 LYS C C 29 176.347 176.169 0.178 1
1 294 . 7 1 1 A 29 29 LYS CA C 29 56.187 56.659 -0.472 1
1 295 . 7 1 1 A 29 29 LYS CB C 29 34.585 34.466 0.119 1
1 299 . 7 1 1 A 29 29 LYS N N 29 120.760 119.299 1.461 1
1 300 . 7 1 1 A 30 30 GLN H H 30 7.738 8.386 -0.648 1
1 301 . 7 1 1 A 30 30 GLN HA H 30 4.657 4.633 0.024 1
1 308 . 7 1 1 A 30 30 GLN C C 30 177.059 176.207 0.852 1
1 309 . 7 1 1 A 30 30 GLN CA C 30 53.885 54.480 -0.595 1
1 310 . 7 1 1 A 30 30 GLN CB C 30 31.349 30.645 0.704 1
1 312 . 7 1 1 A 30 30 GLN N N 30 116.957 119.090 -2.133 1
1 314 . 7 1 1 A 31 31 ALA H H 31 8.719 8.350 0.369 1
1 315 . 7 1 1 A 31 31 ALA HA H 31 4.189 4.305 -0.116 1
1 319 . 7 1 1 A 31 31 ALA C C 31 177.686 178.355 -0.669 1
1 320 . 7 1 1 A 31 31 ALA CA C 31 54.960 52.873 2.087 1
1 321 . 7 1 1 A 31 31 ALA CB C 31 18.859 19.558 -0.699 1
1 322 . 7 1 1 A 31 31 ALA N N 31 122.985 123.395 -0.410 1
1 323 . 7 1 1 A 32 32 ASP H H 32 8.436 8.314 0.122 1
1 324 . 7 1 1 A 32 32 ASP HA H 32 4.904 4.802 0.102 1
1 327 . 7 1 1 A 32 32 ASP C C 32 176.845 176.558 0.287 1
1 328 . 7 1 1 A 32 32 ASP CA C 32 54.044 54.578 -0.534 1
1 329 . 7 1 1 A 32 32 ASP CB C 32 40.166 41.708 -1.542 1
1 330 . 7 1 1 A 32 32 ASP N N 32 113.224 116.423 -3.199 1
1 331 . 7 1 1 A 33 33 GLU H H 33 7.632 8.104 -0.472 1
1 332 . 7 1 1 A 33 33 GLU HA H 33 5.578 5.020 0.558 1
1 337 . 7 1 1 A 33 33 GLU C C 33 175.518 175.545 -0.027 1
1 338 . 7 1 1 A 33 33 GLU CA C 33 55.437 56.154 -0.717 1
1 339 . 7 1 1 A 33 33 GLU CB C 33 33.079 31.719 1.360 1
1 341 . 7 1 1 A 33 33 GLU N N 33 119.902 120.086 -0.184 1
1 342 . 7 1 1 A 34 34 VAL H H 34 8.311 8.926 -0.615 1
1 343 . 7 1 1 A 34 34 VAL HA H 34 4.791 4.678 0.113 1
1 351 . 7 1 1 A 34 34 VAL C C 34 171.861 174.352 -2.491 1
1 352 . 7 1 1 A 34 34 VAL CA C 34 58.152 60.321 -2.169 1
1 353 . 7 1 1 A 34 34 VAL CB C 34 35.881 35.652 0.229 1
1 356 . 7 1 1 A 34 34 VAL N N 34 119.872 120.513 -0.641 1
1 357 . 7 1 1 A 35 35 THR H H 35 8.047 8.663 -0.616 1
1 358 . 7 1 1 A 35 35 THR HA H 35 4.559 4.627 -0.068 1
1 363 . 7 1 1 A 35 35 THR C C 35 174.643 174.225 0.418 1
1 364 . 7 1 1 A 35 35 THR CA C 35 62.859 62.881 -0.022 1
1 365 . 7 1 1 A 35 35 THR CB C 35 69.626 69.090 0.536 1
1 367 . 7 1 1 A 35 35 THR N N 35 123.767 122.652 1.115 1
1 368 . 7 1 1 A 36 36 LEU H H 36 9.001 8.511 0.490 1
1 369 . 7 1 1 A 36 36 LEU HA H 36 4.571 5.019 -0.448 1
1 379 . 7 1 1 A 36 36 LEU C C 36 176.087 175.760 0.327 1
1 380 . 7 1 1 A 36 36 LEU CA C 36 53.374 53.621 -0.247 1
1 381 . 7 1 1 A 36 36 LEU CB C 36 47.954 46.444 1.510 1
1 385 . 7 1 1 A 36 36 LEU N N 36 127.439 125.880 1.559 1
1 386 . 7 1 1 A 37 37 GLN H H 37 8.889 8.677 0.212 1
1 387 . 7 1 1 A 37 37 GLN HA H 37 4.298 4.795 -0.497 1
1 394 . 7 1 1 A 37 37 GLN C C 37 175.508 174.820 0.688 1
1 395 . 7 1 1 A 37 37 GLN CA C 37 53.621 53.708 -0.087 1
1 396 . 7 1 1 A 37 37 GLN CB C 37 30.567 32.461 -1.894 1
1 398 . 7 1 1 A 37 37 GLN N N 37 121.687 119.607 2.080 1
1 400 . 7 1 1 A 38 38 GLN H H 38 8.517 8.514 0.003 1
1 401 . 7 1 1 A 38 38 GLN HA H 38 3.378 4.015 -0.637 1
1 408 . 7 1 1 A 38 38 GLN C C 38 176.738 176.360 0.378 1
1 409 . 7 1 1 A 38 38 GLN CA C 38 58.584 56.871 1.713 1
1 410 . 7 1 1 A 38 38 GLN CB C 38 28.151 28.562 -0.411 1
1 412 . 7 1 1 A 38 38 GLN N N 38 120.664 121.960 -1.296 1
1 414 . 7 1 1 A 39 39 ALA H H 39 9.200 9.576 -0.376 1
1 415 . 7 1 1 A 39 39 ALA HA H 39 3.948 3.862 0.086 1
1 419 . 7 1 1 A 39 39 ALA C C 39 177.251 175.613 1.638 1
1 420 . 7 1 1 A 39 39 ALA CA C 39 54.731 53.195 1.536 1
1 421 . 7 1 1 A 39 39 ALA CB C 39 17.134 17.471 -0.337 1
1 422 . 7 1 1 A 39 39 ALA N N 39 123.253 123.837 -0.584 1
1 423 . 7 1 1 A 40 40 ASP H H 40 8.025 7.671 0.354 1
1 424 . 7 1 1 A 40 40 ASP HA H 40 4.498 5.041 -0.543 1
1 427 . 7 1 1 A 40 40 ASP C C 40 175.010 175.434 -0.424 1
1 428 . 7 1 1 A 40 40 ASP CA C 40 56.407 53.028 3.379 1
1 429 . 7 1 1 A 40 40 ASP CB C 40 41.713 43.399 -1.686 1
1 430 . 7 1 1 A 40 40 ASP N N 40 121.075 116.708 4.367 1
1 431 . 7 1 1 A 41 41 VAL H H 41 7.518 8.547 -1.029 1
1 432 . 7 1 1 A 41 41 VAL HA H 41 5.060 4.355 0.705 1
1 440 . 7 1 1 A 41 41 VAL C C 41 176.546 175.102 1.444 1
1 441 . 7 1 1 A 41 41 VAL CA C 41 61.818 62.204 -0.386 1
1 442 . 7 1 1 A 41 41 VAL CB C 41 32.997 32.178 0.819 1
1 445 . 7 1 1 A 41 41 VAL N N 41 119.767 124.277 -4.510 1
1 446 . 7 1 1 A 42 42 VAL H H 42 9.086 8.520 0.566 1
1 447 . 7 1 1 A 42 42 VAL HA H 42 4.528 4.532 -0.004 1
1 455 . 7 1 1 A 42 42 VAL C C 42 173.762 174.639 -0.877 1
1 456 . 7 1 1 A 42 42 VAL CA C 42 60.363 60.425 -0.062 1
1 457 . 7 1 1 A 42 42 VAL CB C 42 35.736 35.591 0.145 1
1 460 . 7 1 1 A 42 42 VAL N N 42 129.212 127.509 1.703 1
1 461 . 7 1 1 A 43 43 LEU H H 43 8.855 9.230 -0.375 1
1 462 . 7 1 1 A 43 43 LEU HA H 43 4.651 4.728 -0.077 1
1 472 . 7 1 1 A 43 43 LEU C C 43 175.853 175.618 0.235 1
1 473 . 7 1 1 A 43 43 LEU CA C 43 54.132 54.083 0.049 1
1 474 . 7 1 1 A 43 43 LEU CB C 43 44.039 43.160 0.879 1
1 478 . 7 1 1 A 43 43 LEU N N 43 128.624 130.137 -1.513 1
1 479 . 7 1 1 A 44 44 VAL H H 44 8.835 8.609 0.226 1
1 480 . 7 1 1 A 44 44 VAL HA H 44 3.837 4.474 -0.637 1
1 488 . 7 1 1 A 44 44 VAL C C 44 174.445 175.712 -1.267 1
1 489 . 7 1 1 A 44 44 VAL CA C 44 64.603 63.688 0.915 1
1 490 . 7 1 1 A 44 44 VAL CB C 44 32.325 32.172 0.153 1
1 493 . 7 1 1 A 44 44 VAL N N 44 126.525 128.046 -1.521 1
1 494 . 7 1 1 A 45 45 LEU H H 45 9.166 10.061 -0.895 1
1 495 . 7 1 1 A 45 45 LEU HA H 45 4.488 4.521 -0.033 1
1 505 . 7 1 1 A 45 45 LEU C C 45 177.820 176.563 1.257 1
1 506 . 7 1 1 A 45 45 LEU CA C 45 56.137 55.667 0.470 1
1 507 . 7 1 1 A 45 45 LEU CB C 45 43.957 43.408 0.549 1
1 511 . 7 1 1 A 45 45 LEU N N 45 127.543 126.839 0.704 1
1 512 . 7 1 1 A 46 46 GLN H H 46 8.074 7.500 0.574 1
1 513 . 7 1 1 A 46 46 GLN HA H 46 4.643 4.795 -0.152 1
1 520 . 7 1 1 A 46 46 GLN C C 46 173.225 174.385 -1.160 1
1 521 . 7 1 1 A 46 46 GLN CA C 46 55.277 54.747 0.530 1
1 522 . 7 1 1 A 46 46 GLN CB C 46 33.285 31.655 1.630 1
1 524 . 7 1 1 A 46 46 GLN N N 46 115.961 116.783 -0.822 1
1 526 . 7 1 1 A 47 47 GLN H H 47 8.683 9.017 -0.334 1
1 527 . 7 1 1 A 47 47 GLN HA H 47 5.194 4.885 0.309 1
1 534 . 7 1 1 A 47 47 GLN C C 47 174.366 174.389 -0.023 1
1 535 . 7 1 1 A 47 47 GLN CA C 47 55.243 55.092 0.151 1
1 536 . 7 1 1 A 47 47 GLN CB C 47 31.473 29.558 1.915 1
1 538 . 7 1 1 A 47 47 GLN N N 47 121.742 124.055 -2.313 1
1 540 . 7 1 1 A 48 48 GLU H H 48 9.201 9.262 -0.061 1
1 541 . 7 1 1 A 48 48 GLU HA H 48 4.669 5.032 -0.363 1
1 546 . 7 1 1 A 48 48 GLU C C 48 175.622 175.295 0.327 1
1 547 . 7 1 1 A 48 48 GLU CA C 48 56.134 54.870 1.264 1
1 548 . 7 1 1 A 48 48 GLU CB C 48 33.098 32.411 0.687 1
1 550 . 7 1 1 A 48 48 GLU N N 48 124.529 125.335 -0.806 1
1 551 . 7 1 1 A 49 49 ASP H H 49 9.177 8.807 0.370 1
1 552 . 7 1 1 A 49 49 ASP HA H 49 4.424 4.315 0.109 1
1 555 . 7 1 1 A 49 49 ASP C C 49 175.771 176.899 -1.128 1
1 556 . 7 1 1 A 49 49 ASP CA C 49 56.001 56.019 -0.018 1
1 557 . 7 1 1 A 49 49 ASP CB C 49 40.478 40.548 -0.070 1
1 558 . 7 1 1 A 49 49 ASP N N 49 125.649 128.017 -2.368 1
1 559 . 7 1 1 A 50 50 GLY H H 50 8.750 8.824 -0.074 1
1 560 . 7 1 1 A 50 50 GLY HA2 H 50 4.266 4.023 0.243 1
1 561 . 7 1 1 A 50 50 GLY HA3 H 50 3.753 4.131 -0.378 1
1 562 . 7 1 1 A 50 50 GLY C C 50 174.455 173.632 0.823 1
1 563 . 7 1 1 A 50 50 GLY CA C 50 45.969 45.409 0.560 1
1 564 . 7 1 1 A 50 50 GLY N N 50 108.057 113.229 -5.172 1
1 565 . 7 1 1 A 51 51 TRP H H 51 8.427 9.023 -0.596 1
1 566 . 7 1 1 A 51 51 TRP HA H 51 4.877 5.318 -0.441 1
1 575 . 7 1 1 A 51 51 TRP C C 51 173.525 175.533 -2.008 1
1 576 . 7 1 1 A 51 51 TRP CA C 51 57.270 55.568 1.702 1
1 577 . 7 1 1 A 51 51 TRP CB C 51 32.690 34.123 -1.433 1
1 583 . 7 1 1 A 51 51 TRP N N 51 122.784 120.749 2.035 1
1 585 . 7 1 1 A 52 52 LEU H H 52 9.368 9.163 0.205 1
1 586 . 7 1 1 A 52 52 LEU HA H 52 4.987 5.002 -0.015 1
1 596 . 7 1 1 A 52 52 LEU C C 52 173.005 174.115 -1.110 1
1 597 . 7 1 1 A 52 52 LEU CA C 52 52.634 52.839 -0.205 1
1 598 . 7 1 1 A 52 52 LEU CB C 52 43.833 43.428 0.405 1
1 602 . 7 1 1 A 52 52 LEU N N 52 121.750 122.857 -1.107 1
1 603 . 7 1 1 A 53 53 TYR H H 53 8.267 9.600 -1.333 1
1 604 . 7 1 1 A 53 53 TYR HA H 53 4.513 4.541 -0.028 1
1 611 . 7 1 1 A 53 53 TYR C C 53 176.111 175.049 1.062 1
1 612 . 7 1 1 A 53 53 TYR CA C 53 55.283 57.239 -1.956 1
1 613 . 7 1 1 A 53 53 TYR CB C 53 39.251 39.296 -0.045 1
1 618 . 7 1 1 A 53 53 TYR N N 53 122.457 126.269 -3.812 1
1 619 . 7 1 1 A 54 54 GLY H H 54 8.238 7.833 0.405 1
1 620 . 7 1 1 A 54 54 GLY HA2 H 54 4.706 4.136 0.570 1
1 621 . 7 1 1 A 54 54 GLY HA3 H 54 3.802 4.404 -0.602 1
1 622 . 7 1 1 A 54 54 GLY C C 54 168.928 171.416 -2.488 1
1 623 . 7 1 1 A 54 54 GLY CA C 54 45.792 45.564 0.228 1
1 624 . 7 1 1 A 54 54 GLY N N 54 112.598 111.999 0.599 1
1 625 . 7 1 1 A 55 55 GLU H H 55 8.400 9.195 -0.795 1
1 626 . 7 1 1 A 55 55 GLU HA H 55 4.718 5.101 -0.383 1
1 631 . 7 1 1 A 55 55 GLU C C 55 175.540 175.446 0.094 1
1 632 . 7 1 1 A 55 55 GLU CA C 55 53.268 54.693 -1.425 1
1 633 . 7 1 1 A 55 55 GLU CB C 55 34.264 33.266 0.998 1
1 635 . 7 1 1 A 55 55 GLU N N 55 118.345 120.458 -2.113 1
1 636 . 7 1 1 A 56 56 ARG H H 56 9.654 9.345 0.309 1
1 637 . 7 1 1 A 56 56 ARG HA H 56 4.309 4.377 -0.068 1
1 645 . 7 1 1 A 56 56 ARG C C 56 176.838 176.406 0.432 1
1 646 . 7 1 1 A 56 56 ARG CA C 56 57.492 56.621 0.871 1
1 647 . 7 1 1 A 56 56 ARG CB C 56 30.854 30.705 0.149 1
1 650 . 7 1 1 A 56 56 ARG N N 56 129.571 127.744 1.827 1
1 652 . 7 1 1 A 57 57 LEU H H 57 8.195 8.334 -0.139 1
1 653 . 7 1 1 A 57 57 LEU HA H 57 4.021 4.176 -0.155 1
1 663 . 7 1 1 A 57 57 LEU C C 57 179.671 178.887 0.784 1
1 664 . 7 1 1 A 57 57 LEU CA C 57 58.338 56.905 1.433 1
1 665 . 7 1 1 A 57 57 LEU CB C 57 41.939 41.386 0.553 1
1 669 . 7 1 1 A 57 57 LEU N N 57 129.973 126.850 3.123 1
1 670 . 7 1 1 A 58 58 ARG H H 58 8.494 8.154 0.340 1
1 671 . 7 1 1 A 58 58 ARG HA H 58 4.112 3.993 0.119 1
1 678 . 7 1 1 A 58 58 ARG C C 58 176.402 178.050 -1.648 1
1 679 . 7 1 1 A 58 58 ARG CA C 58 59.139 59.637 -0.498 1
1 680 . 7 1 1 A 58 58 ARG CB C 58 30.106 30.127 -0.021 1
1 683 . 7 1 1 A 58 58 ARG N N 58 115.005 120.964 -5.959 1
1 684 . 7 1 1 A 59 59 ASP H H 59 7.392 8.046 -0.654 1
1 685 . 7 1 1 A 59 59 ASP HA H 59 4.803 4.750 0.053 1
1 688 . 7 1 1 A 59 59 ASP C C 59 176.801 176.512 0.289 1
1 689 . 7 1 1 A 59 59 ASP CA C 59 52.827 54.075 -1.248 1
1 690 . 7 1 1 A 59 59 ASP CB C 59 42.144 42.137 0.007 1
1 691 . 7 1 1 A 59 59 ASP N N 59 113.739 117.160 -3.421 1
1 692 . 7 1 1 A 60 60 GLY H H 60 8.435 8.262 0.173 1
1 693 . 7 1 1 A 60 60 GLY HA2 H 60 4.125 3.976 0.149 1
1 694 . 7 1 1 A 60 60 GLY HA3 H 60 3.868 3.986 -0.118 1
1 695 . 7 1 1 A 60 60 GLY C C 60 174.707 174.502 0.205 1
1 696 . 7 1 1 A 60 60 GLY CA C 60 45.917 44.989 0.928 1
1 697 . 7 1 1 A 60 60 GLY N N 60 110.642 107.573 3.069 1
1 698 . 7 1 1 A 61 61 GLU H H 61 7.527 7.919 -0.392 1
1 699 . 7 1 1 A 61 61 GLU HA H 61 4.163 4.298 -0.135 1
1 704 . 7 1 1 A 61 61 GLU C C 61 176.225 175.965 0.260 1
1 705 . 7 1 1 A 61 61 GLU CA C 61 58.222 57.169 1.053 1
1 706 . 7 1 1 A 61 61 GLU CB C 61 29.825 30.249 -0.424 1
1 708 . 7 1 1 A 61 61 GLU N N 61 123.061 121.368 1.693 1
1 709 . 7 1 1 A 62 62 THR H H 62 8.451 8.819 -0.368 1
1 710 . 7 1 1 A 62 62 THR HA H 62 5.666 5.128 0.538 1
1 715 . 7 1 1 A 62 62 THR C C 62 174.469 173.980 0.489 1
1 716 . 7 1 1 A 62 62 THR CA C 62 59.826 60.517 -0.691 1
1 717 . 7 1 1 A 62 62 THR CB C 62 72.751 69.828 2.923 1
1 719 . 7 1 1 A 62 62 THR N N 62 117.411 121.476 -4.065 1
1 720 . 7 1 1 A 63 63 GLY H H 63 7.931 8.268 -0.337 1
1 721 . 7 1 1 A 63 63 GLY HA2 H 63 4.124 4.460 -0.336 1
1 722 . 7 1 1 A 63 63 GLY HA3 H 63 3.936 4.546 -0.610 1
1 723 . 7 1 1 A 63 63 GLY C C 63 170.896 171.964 -1.068 1
1 724 . 7 1 1 A 63 63 GLY CA C 63 45.652 45.436 0.216 1
1 725 . 7 1 1 A 63 63 GLY N N 63 108.439 112.139 -3.700 1
1 726 . 7 1 1 A 64 64 TRP H H 64 9.071 9.161 -0.090 1
1 727 . 7 1 1 A 64 64 TRP HA H 64 6.061 5.703 0.358 1
1 736 . 7 1 1 A 64 64 TRP C C 64 177.395 176.530 0.865 1
1 737 . 7 1 1 A 64 64 TRP CA C 64 57.259 56.773 0.486 1
1 738 . 7 1 1 A 64 64 TRP CB C 64 31.882 31.102 0.780 1
1 744 . 7 1 1 A 64 64 TRP N N 64 119.762 120.695 -0.933 1
1 746 . 7 1 1 A 65 65 PHE H H 65 9.657 9.465 0.192 1
1 747 . 7 1 1 A 65 65 PHE HA H 65 4.823 5.374 -0.551 1
1 755 . 7 1 1 A 65 65 PHE C C 65 170.814 173.200 -2.386 1
1 756 . 7 1 1 A 65 65 PHE CA C 65 55.578 54.888 0.690 1
1 757 . 7 1 1 A 65 65 PHE CB C 65 38.245 42.542 -4.297 1
1 763 . 7 1 1 A 65 65 PHE N N 65 116.076 120.105 -4.029 1
1 764 . 7 1 1 A 66 66 PRO HA H 66 3.546 4.319 -0.773 1
1 771 . 7 1 1 A 66 66 PRO C C 66 177.963 177.750 0.213 1
1 772 . 7 1 1 A 66 66 PRO CA C 66 62.065 62.161 -0.096 1
1 773 . 7 1 1 A 66 66 PRO CB C 66 31.116 32.031 -0.915 1
1 776 . 7 1 1 A 67 67 GLU H H 67 8.081 8.625 -0.544 1
1 777 . 7 1 1 A 67 67 GLU HA H 67 3.651 4.126 -0.475 1
1 782 . 7 1 1 A 67 67 GLU C C 67 177.298 178.841 -1.543 1
1 783 . 7 1 1 A 67 67 GLU CA C 67 58.746 59.208 -0.462 1
1 784 . 7 1 1 A 67 67 GLU CB C 67 29.820 29.047 0.773 1
1 786 . 7 1 1 A 67 67 GLU N N 67 121.549 122.122 -0.573 1
1 787 . 7 1 1 A 68 68 ASP H H 68 8.456 8.170 0.286 1
1 788 . 7 1 1 A 68 68 ASP HA H 68 4.539 4.322 0.217 1
1 791 . 7 1 1 A 68 68 ASP C C 68 176.157 177.194 -1.037 1
1 792 . 7 1 1 A 68 68 ASP CA C 68 55.225 56.792 -1.567 1
1 793 . 7 1 1 A 68 68 ASP CB C 68 39.633 40.541 -0.908 1
1 794 . 7 1 1 A 68 68 ASP N N 68 113.915 120.726 -6.811 1
1 795 . 7 1 1 A 69 69 PHE H H 69 7.661 7.895 -0.234 1
1 796 . 7 1 1 A 69 69 PHE HA H 69 4.386 4.677 -0.291 1
1 803 . 7 1 1 A 69 69 PHE C C 69 173.252 174.663 -1.411 1
1 804 . 7 1 1 A 69 69 PHE CA C 69 57.758 57.155 0.603 1
1 805 . 7 1 1 A 69 69 PHE CB C 69 37.019 38.859 -1.840 1
1 810 . 7 1 1 A 69 69 PHE N N 69 119.727 116.140 3.587 1
1 811 . 7 1 1 A 70 70 ALA H H 70 7.809 8.536 -0.727 1
1 812 . 7 1 1 A 70 70 ALA HA H 70 5.256 4.704 0.552 1
1 816 . 7 1 1 A 70 70 ALA C C 70 175.703 175.051 0.652 1
1 817 . 7 1 1 A 70 70 ALA CA C 70 50.800 51.328 -0.528 1
1 818 . 7 1 1 A 70 70 ALA CB C 70 24.061 22.940 1.121 1
1 819 . 7 1 1 A 70 70 ALA N N 70 121.782 120.388 1.394 1
1 820 . 7 1 1 A 71 71 ARG H H 71 8.792 8.658 0.134 1
1 821 . 7 1 1 A 71 71 ARG HA H 71 4.828 5.051 -0.223 1
1 828 . 7 1 1 A 71 71 ARG C C 71 175.613 174.590 1.023 1
1 829 . 7 1 1 A 71 71 ARG CA C 71 54.220 54.470 -0.250 1
1 830 . 7 1 1 A 71 71 ARG CB C 71 33.286 33.735 -0.449 1
1 833 . 7 1 1 A 71 71 ARG N N 71 119.543 117.140 2.403 1
1 834 . 7 1 1 A 72 72 PHE H H 72 9.194 8.974 0.220 1
1 835 . 7 1 1 A 72 72 PHE HA H 72 4.604 4.547 0.057 1
1 843 . 7 1 1 A 72 72 PHE C C 72 176.818 175.655 1.163 1
1 844 . 7 1 1 A 72 72 PHE CA C 72 59.896 58.334 1.562 1
1 845 . 7 1 1 A 72 72 PHE CB C 72 39.079 38.258 0.821 1
1 851 . 7 1 1 A 72 72 PHE N N 72 125.006 121.972 3.034 1
1 852 . 7 1 1 A 73 73 ILE H H 73 8.574 8.174 0.400 1
1 853 . 7 1 1 A 73 73 ILE HA H 73 4.390 3.829 0.561 1
1 863 . 7 1 1 A 73 73 ILE C C 73 176.086 176.923 -0.837 1
1 864 . 7 1 1 A 73 73 ILE CA C 73 61.450 64.797 -3.347 1
1 865 . 7 1 1 A 73 73 ILE CB C 73 39.508 38.071 1.437 1
1 869 . 7 1 1 A 73 73 ILE N N 73 120.816 127.781 -6.965 1
1 870 . 7 1 1 A 74 74 SER H H 74 8.329 7.714 0.615 1
1 871 . 7 1 1 A 74 74 SER HA H 74 4.626 5.057 -0.431 1
1 874 . 7 1 1 A 74 74 SER C C 74 174.223 174.156 0.067 1
1 875 . 7 1 1 A 74 74 SER CA C 74 58.169 57.522 0.647 1
1 876 . 7 1 1 A 74 74 SER CB C 74 64.370 65.208 -0.838 1
1 877 . 7 1 1 A 74 74 SER N N 74 118.251 113.310 4.941 1
1 878 . 7 1 1 A 75 75 GLY H H 75 8.372 8.796 -0.424 1
1 879 . 7 1 1 A 75 75 GLY HA2 H 75 4.149 4.134 0.015 1
1 880 . 7 1 1 A 75 75 GLY HA3 H 75 4.149 4.182 -0.033 1
1 881 . 7 1 1 A 75 75 GLY C C 75 171.907 173.837 -1.930 1
1 882 . 7 1 1 A 75 75 GLY CA C 75 44.682 44.216 0.466 1
1 883 . 7 1 1 A 75 75 GLY N N 75 109.951 113.564 -3.613 1
1 884 . 7 1 1 A 76 76 PRO HA H 76 4.456 4.589 -0.133 1
1 891 . 7 1 1 A 76 76 PRO CA C 76 63.394 62.336 1.058 1
1 892 . 7 1 1 A 76 76 PRO CB C 76 32.180 29.468 2.712 1
1 1 . 8 1 1 A 6 6 SER HA H 6 4.486 5.331 -0.845 1
1 3 . 8 1 1 A 6 6 SER CA C 6 58.492 56.797 1.695 1
1 4 . 8 1 1 A 6 6 SER CB C 6 64.343 66.046 -1.703 1
1 5 . 8 1 1 A 7 7 GLY H H 7 8.044 8.359 -0.315 1
1 6 . 8 1 1 A 7 7 GLY HA2 H 7 4.458 4.279 0.179 1
1 7 . 8 1 1 A 7 7 GLY HA3 H 7 3.780 4.345 -0.565 1
1 8 . 8 1 1 A 7 7 GLY C C 7 174.131 174.152 -0.021 1
1 9 . 8 1 1 A 7 7 GLY CA C 7 45.458 45.777 -0.319 1
1 10 . 8 1 1 A 7 7 GLY N N 7 116.867 112.720 4.147 1
1 11 . 8 1 1 A 8 8 TRP H H 8 8.111 9.364 -1.253 1
1 12 . 8 1 1 A 8 8 TRP HA H 8 4.626 4.185 0.441 1
1 21 . 8 1 1 A 8 8 TRP C C 8 176.673 176.141 0.532 1
1 22 . 8 1 1 A 8 8 TRP CA C 8 57.729 58.203 -0.474 1
1 23 . 8 1 1 A 8 8 TRP CB C 8 29.413 27.420 1.993 1
1 29 . 8 1 1 A 8 8 TRP N N 8 121.258 125.045 -3.787 1
1 31 . 8 1 1 A 9 9 GLN H H 9 8.229 8.377 -0.148 1
1 32 . 8 1 1 A 9 9 GLN HA H 9 4.133 3.911 0.222 1
1 39 . 8 1 1 A 9 9 GLN C C 9 176.147 175.571 0.576 1
1 40 . 8 1 1 A 9 9 GLN CA C 9 56.283 56.821 -0.538 1
1 41 . 8 1 1 A 9 9 GLN CB C 9 29.125 27.737 1.388 1
1 43 . 8 1 1 A 9 9 GLN N N 9 122.756 114.949 7.807 1
1 45 . 8 1 1 A 10 10 GLY H H 10 7.500 8.716 -1.216 1
1 46 . 8 1 1 A 10 10 GLY HA2 H 10 3.744 3.938 -0.194 1
1 47 . 8 1 1 A 10 10 GLY HA3 H 10 3.714 3.945 -0.231 1
1 48 . 8 1 1 A 10 10 GLY C C 10 174.092 173.961 0.131 1
1 49 . 8 1 1 A 10 10 GLY CA C 10 45.335 47.018 -1.683 1
1 50 . 8 1 1 A 10 10 GLY N N 10 108.221 106.431 1.790 1
1 51 . 8 1 1 A 11 11 LEU H H 11 8.029 7.872 0.157 1
1 52 . 8 1 1 A 11 11 LEU HA H 11 4.368 4.978 -0.610 1
1 62 . 8 1 1 A 11 11 LEU C C 11 177.808 174.949 2.859 1
1 63 . 8 1 1 A 11 11 LEU CA C 11 55.348 54.212 1.136 1
1 64 . 8 1 1 A 11 11 LEU CB C 11 42.515 44.940 -2.425 1
1 68 . 8 1 1 A 11 11 LEU N N 11 121.136 122.889 -1.753 1
1 69 . 8 1 1 A 12 12 SER H H 12 8.388 8.522 -0.134 1
1 70 . 8 1 1 A 12 12 SER HA H 12 4.370 4.950 -0.580 1
1 73 . 8 1 1 A 12 12 SER CA C 12 58.716 56.284 2.432 1
1 74 . 8 1 1 A 12 12 SER CB C 12 63.835 66.678 -2.843 1
1 75 . 8 1 1 A 12 12 SER N N 12 116.252 119.788 -3.536 1
1 76 . 8 1 1 A 13 13 SER HA H 13 4.481 4.539 -0.058 1
1 79 . 8 1 1 A 13 13 SER C C 13 175.161 174.989 0.172 1
1 80 . 8 1 1 A 13 13 SER CA C 13 58.442 61.326 -2.884 1
1 81 . 8 1 1 A 13 13 SER CB C 13 63.798 63.777 0.021 1
1 82 . 8 1 1 A 14 14 LYS H H 14 8.372 7.856 0.516 1
1 83 . 8 1 1 A 14 14 LYS HA H 14 4.226 4.391 -0.165 1
1 92 . 8 1 1 A 14 14 LYS C C 14 177.249 175.305 1.944 1
1 93 . 8 1 1 A 14 14 LYS CA C 14 57.303 55.852 1.451 1
1 94 . 8 1 1 A 14 14 LYS CB C 14 32.694 31.075 1.619 1
1 98 . 8 1 1 A 14 14 LYS N N 14 123.245 118.296 4.949 1
1 99 . 8 1 1 A 15 15 GLY H H 15 8.213 8.459 -0.246 1
1 100 . 8 1 1 A 15 15 GLY HA2 H 15 3.924 4.318 -0.394 1
1 101 . 8 1 1 A 15 15 GLY HA3 H 15 3.924 4.319 -0.395 1
1 102 . 8 1 1 A 15 15 GLY C C 15 173.863 173.425 0.438 1
1 103 . 8 1 1 A 15 15 GLY CA C 15 45.599 43.854 1.745 1
1 104 . 8 1 1 A 15 15 GLY N N 15 107.368 111.881 -4.513 1
1 105 . 8 1 1 A 16 16 ASP H H 16 8.091 8.813 -0.722 1
1 106 . 8 1 1 A 16 16 ASP HA H 16 4.711 4.130 0.581 1
1 109 . 8 1 1 A 16 16 ASP C C 16 176.074 175.190 0.884 1
1 110 . 8 1 1 A 16 16 ASP CA C 16 54.167 54.873 -0.706 1
1 111 . 8 1 1 A 16 16 ASP CB C 16 41.155 39.303 1.852 1
1 112 . 8 1 1 A 16 16 ASP N N 16 119.368 117.895 1.473 1
1 113 . 8 1 1 A 17 17 LEU H H 17 7.757 8.008 -0.251 1
1 114 . 8 1 1 A 17 17 LEU HA H 17 4.641 4.799 -0.158 1
1 124 . 8 1 1 A 17 17 LEU C C 17 174.627 174.493 0.134 1
1 125 . 8 1 1 A 17 17 LEU CA C 17 53.286 51.968 1.318 1
1 126 . 8 1 1 A 17 17 LEU CB C 17 41.003 43.013 -2.010 1
1 130 . 8 1 1 A 17 17 LEU N N 17 122.770 119.715 3.055 1
1 131 . 8 1 1 A 18 18 PRO HA H 18 4.619 4.880 -0.261 1
1 138 . 8 1 1 A 18 18 PRO C C 18 175.014 175.579 -0.565 1
1 139 . 8 1 1 A 18 18 PRO CA C 18 62.756 62.504 0.252 1
1 140 . 8 1 1 A 18 18 PRO CB C 18 32.631 33.174 -0.543 1
1 143 . 8 1 1 A 19 19 GLN H H 19 8.295 8.453 -0.158 1
1 144 . 8 1 1 A 19 19 GLN HA H 19 5.396 4.886 0.510 1
1 151 . 8 1 1 A 19 19 GLN C C 19 176.012 174.701 1.311 1
1 152 . 8 1 1 A 19 19 GLN CA C 19 54.094 54.155 -0.061 1
1 153 . 8 1 1 A 19 19 GLN CB C 19 32.478 33.097 -0.619 1
1 155 . 8 1 1 A 19 19 GLN N N 19 117.612 118.805 -1.193 1
1 157 . 8 1 1 A 20 20 VAL H H 20 9.005 8.213 0.792 1
1 158 . 8 1 1 A 20 20 VAL HA H 20 5.133 4.707 0.426 1
1 166 . 8 1 1 A 20 20 VAL C C 20 173.875 173.520 0.355 1
1 167 . 8 1 1 A 20 20 VAL CA C 20 57.486 59.156 -1.670 1
1 168 . 8 1 1 A 20 20 VAL CB C 20 35.076 35.665 -0.589 1
1 171 . 8 1 1 A 20 20 VAL N N 20 112.092 117.476 -5.384 1
1 172 . 8 1 1 A 21 21 GLU H H 21 8.901 8.390 0.511 1
1 173 . 8 1 1 A 21 21 GLU HA H 21 5.199 4.867 0.332 1
1 178 . 8 1 1 A 21 21 GLU C C 21 175.780 175.911 -0.131 1
1 179 . 8 1 1 A 21 21 GLU CA C 21 53.268 54.848 -1.580 1
1 180 . 8 1 1 A 21 21 GLU CB C 21 32.997 31.423 1.574 1
1 182 . 8 1 1 A 21 21 GLU N N 21 119.970 123.622 -3.652 1
1 183 . 8 1 1 A 22 22 ILE H H 22 8.656 9.419 -0.763 1
1 184 . 8 1 1 A 22 22 ILE HA H 22 4.742 4.272 0.470 1
1 194 . 8 1 1 A 22 22 ILE C C 22 179.107 177.608 1.499 1
1 195 . 8 1 1 A 22 22 ILE CA C 22 58.064 62.171 -4.107 1
1 196 . 8 1 1 A 22 22 ILE CB C 22 34.481 37.820 -3.339 1
1 200 . 8 1 1 A 22 22 ILE N N 22 125.654 127.950 -2.296 1
1 201 . 8 1 1 A 23 23 THR H H 23 9.206 8.598 0.608 1
1 202 . 8 1 1 A 23 23 THR HA H 23 4.230 4.439 -0.209 1
1 207 . 8 1 1 A 23 23 THR C C 23 174.481 174.317 0.164 1
1 208 . 8 1 1 A 23 23 THR CA C 23 62.787 62.330 0.457 1
1 209 . 8 1 1 A 23 23 THR CB C 23 68.779 69.273 -0.494 1
1 211 . 8 1 1 A 23 23 THR N N 23 122.259 119.426 2.833 1
1 212 . 8 1 1 A 24 24 LYS H H 24 7.443 7.759 -0.316 1
1 213 . 8 1 1 A 24 24 LYS HA H 24 4.332 4.786 -0.454 1
1 222 . 8 1 1 A 24 24 LYS C C 24 172.169 175.187 -3.018 1
1 223 . 8 1 1 A 24 24 LYS CA C 24 55.154 54.772 0.382 1
1 224 . 8 1 1 A 24 24 LYS CB C 24 35.137 35.495 -0.358 1
1 228 . 8 1 1 A 24 24 LYS N N 24 121.874 117.922 3.952 1
1 229 . 8 1 1 A 25 25 ALA H H 25 8.259 8.566 -0.307 1
1 230 . 8 1 1 A 25 25 ALA HA H 25 3.914 4.347 -0.433 1
1 234 . 8 1 1 A 25 25 ALA C C 25 176.411 176.401 0.010 1
1 235 . 8 1 1 A 25 25 ALA CA C 25 53.409 52.857 0.552 1
1 236 . 8 1 1 A 25 25 ALA CB C 25 19.113 18.950 0.163 1
1 237 . 8 1 1 A 25 25 ALA N N 25 121.708 124.563 -2.855 1
1 238 . 8 1 1 A 26 26 PHE H H 26 8.058 8.694 -0.636 1
1 239 . 8 1 1 A 26 26 PHE HA H 26 4.742 4.909 -0.167 1
1 247 . 8 1 1 A 26 26 PHE C C 26 172.769 174.026 -1.257 1
1 248 . 8 1 1 A 26 26 PHE CA C 26 56.354 55.321 1.033 1
1 249 . 8 1 1 A 26 26 PHE CB C 26 42.608 39.899 2.709 1
1 255 . 8 1 1 A 26 26 PHE N N 26 121.151 124.771 -3.620 1
1 256 . 8 1 1 A 27 27 PHE H H 27 7.752 8.269 -0.517 1
1 257 . 8 1 1 A 27 27 PHE HA H 27 4.469 4.380 0.089 1
1 265 . 8 1 1 A 27 27 PHE C C 27 173.594 175.336 -1.742 1
1 266 . 8 1 1 A 27 27 PHE CA C 27 56.088 57.678 -1.590 1
1 267 . 8 1 1 A 27 27 PHE CB C 27 39.425 38.310 1.115 1
1 273 . 8 1 1 A 27 27 PHE N N 27 125.818 126.613 -0.795 1
1 274 . 8 1 1 A 28 28 ALA H H 28 8.045 7.798 0.247 1
1 275 . 8 1 1 A 28 28 ALA HA H 28 4.002 3.746 0.256 1
1 279 . 8 1 1 A 28 28 ALA C C 28 178.303 178.495 -0.192 1
1 280 . 8 1 1 A 28 28 ALA CA C 28 52.898 53.022 -0.124 1
1 281 . 8 1 1 A 28 28 ALA CB C 28 20.853 18.969 1.884 1
1 282 . 8 1 1 A 28 28 ALA N N 28 126.105 127.432 -1.327 1
1 283 . 8 1 1 A 29 29 LYS H H 29 9.282 9.385 -0.103 1
1 284 . 8 1 1 A 29 29 LYS HA H 29 4.524 4.623 -0.099 1
1 293 . 8 1 1 A 29 29 LYS C C 29 176.347 176.257 0.090 1
1 294 . 8 1 1 A 29 29 LYS CA C 29 56.187 56.656 -0.469 1
1 295 . 8 1 1 A 29 29 LYS CB C 29 34.585 34.404 0.181 1
1 299 . 8 1 1 A 29 29 LYS N N 29 120.760 119.538 1.222 1
1 300 . 8 1 1 A 30 30 GLN H H 30 7.738 7.908 -0.170 1
1 301 . 8 1 1 A 30 30 GLN HA H 30 4.657 4.614 0.043 1
1 308 . 8 1 1 A 30 30 GLN C C 30 177.059 176.243 0.816 1
1 309 . 8 1 1 A 30 30 GLN CA C 30 53.885 54.537 -0.652 1
1 310 . 8 1 1 A 30 30 GLN CB C 30 31.349 30.236 1.113 1
1 312 . 8 1 1 A 30 30 GLN N N 30 116.957 119.080 -2.123 1
1 314 . 8 1 1 A 31 31 ALA H H 31 8.719 8.351 0.368 1
1 315 . 8 1 1 A 31 31 ALA HA H 31 4.189 4.303 -0.114 1
1 319 . 8 1 1 A 31 31 ALA C C 31 177.686 178.351 -0.665 1
1 320 . 8 1 1 A 31 31 ALA CA C 31 54.960 52.872 2.088 1
1 321 . 8 1 1 A 31 31 ALA CB C 31 18.859 19.537 -0.678 1
1 322 . 8 1 1 A 31 31 ALA N N 31 122.985 123.549 -0.564 1
1 323 . 8 1 1 A 32 32 ASP H H 32 8.436 8.207 0.229 1
1 324 . 8 1 1 A 32 32 ASP HA H 32 4.904 4.800 0.104 1
1 327 . 8 1 1 A 32 32 ASP C C 32 176.845 176.536 0.309 1
1 328 . 8 1 1 A 32 32 ASP CA C 32 54.044 54.581 -0.537 1
1 329 . 8 1 1 A 32 32 ASP CB C 32 40.166 41.735 -1.569 1
1 330 . 8 1 1 A 32 32 ASP N N 32 113.224 116.446 -3.222 1
1 331 . 8 1 1 A 33 33 GLU H H 33 7.632 8.076 -0.444 1
1 332 . 8 1 1 A 33 33 GLU HA H 33 5.578 5.128 0.450 1
1 337 . 8 1 1 A 33 33 GLU C C 33 175.518 175.518 0.000 1
1 338 . 8 1 1 A 33 33 GLU CA C 33 55.437 56.014 -0.577 1
1 339 . 8 1 1 A 33 33 GLU CB C 33 33.079 31.766 1.313 1
1 341 . 8 1 1 A 33 33 GLU N N 33 119.902 120.071 -0.169 1
1 342 . 8 1 1 A 34 34 VAL H H 34 8.311 9.011 -0.700 1
1 343 . 8 1 1 A 34 34 VAL HA H 34 4.791 4.873 -0.082 1
1 351 . 8 1 1 A 34 34 VAL C C 34 171.861 174.379 -2.518 1
1 352 . 8 1 1 A 34 34 VAL CA C 34 58.152 60.114 -1.962 1
1 353 . 8 1 1 A 34 34 VAL CB C 34 35.881 35.871 0.010 1
1 356 . 8 1 1 A 34 34 VAL N N 34 119.872 120.905 -1.033 1
1 357 . 8 1 1 A 35 35 THR H H 35 8.047 8.696 -0.649 1
1 358 . 8 1 1 A 35 35 THR HA H 35 4.559 4.708 -0.149 1
1 363 . 8 1 1 A 35 35 THR C C 35 174.643 174.300 0.343 1
1 364 . 8 1 1 A 35 35 THR CA C 35 62.859 63.349 -0.490 1
1 365 . 8 1 1 A 35 35 THR CB C 35 69.626 69.149 0.477 1
1 367 . 8 1 1 A 35 35 THR N N 35 123.767 122.869 0.898 1
1 368 . 8 1 1 A 36 36 LEU H H 36 9.001 8.545 0.456 1
1 369 . 8 1 1 A 36 36 LEU HA H 36 4.571 5.061 -0.490 1
1 379 . 8 1 1 A 36 36 LEU C C 36 176.087 175.807 0.280 1
1 380 . 8 1 1 A 36 36 LEU CA C 36 53.374 53.639 -0.265 1
1 381 . 8 1 1 A 36 36 LEU CB C 36 47.954 46.362 1.592 1
1 385 . 8 1 1 A 36 36 LEU N N 36 127.439 125.959 1.480 1
1 386 . 8 1 1 A 37 37 GLN H H 37 8.889 8.632 0.257 1
1 387 . 8 1 1 A 37 37 GLN HA H 37 4.298 4.845 -0.547 1
1 394 . 8 1 1 A 37 37 GLN C C 37 175.508 174.836 0.672 1
1 395 . 8 1 1 A 37 37 GLN CA C 37 53.621 53.712 -0.091 1
1 396 . 8 1 1 A 37 37 GLN CB C 37 30.567 32.783 -2.216 1
1 398 . 8 1 1 A 37 37 GLN N N 37 121.687 119.361 2.326 1
1 400 . 8 1 1 A 38 38 GLN H H 38 8.517 8.514 0.003 1
1 401 . 8 1 1 A 38 38 GLN HA H 38 3.378 3.974 -0.596 1
1 408 . 8 1 1 A 38 38 GLN C C 38 176.738 176.362 0.376 1
1 409 . 8 1 1 A 38 38 GLN CA C 38 58.584 56.989 1.595 1
1 410 . 8 1 1 A 38 38 GLN CB C 38 28.151 28.576 -0.425 1
1 412 . 8 1 1 A 38 38 GLN N N 38 120.664 121.927 -1.263 1
1 414 . 8 1 1 A 39 39 ALA H H 39 9.200 9.562 -0.362 1
1 415 . 8 1 1 A 39 39 ALA HA H 39 3.948 3.864 0.084 1
1 419 . 8 1 1 A 39 39 ALA C C 39 177.251 175.634 1.617 1
1 420 . 8 1 1 A 39 39 ALA CA C 39 54.731 53.179 1.552 1
1 421 . 8 1 1 A 39 39 ALA CB C 39 17.134 17.438 -0.304 1
1 422 . 8 1 1 A 39 39 ALA N N 39 123.253 123.854 -0.601 1
1 423 . 8 1 1 A 40 40 ASP H H 40 8.025 7.264 0.761 1
1 424 . 8 1 1 A 40 40 ASP HA H 40 4.498 5.049 -0.551 1
1 427 . 8 1 1 A 40 40 ASP C C 40 175.010 175.656 -0.646 1
1 428 . 8 1 1 A 40 40 ASP CA C 40 56.407 53.102 3.305 1
1 429 . 8 1 1 A 40 40 ASP CB C 40 41.713 43.299 -1.586 1
1 430 . 8 1 1 A 40 40 ASP N N 40 121.075 116.607 4.468 1
1 431 . 8 1 1 A 41 41 VAL H H 41 7.518 8.522 -1.004 1
1 432 . 8 1 1 A 41 41 VAL HA H 41 5.060 4.424 0.636 1
1 440 . 8 1 1 A 41 41 VAL C C 41 176.546 175.042 1.504 1
1 441 . 8 1 1 A 41 41 VAL CA C 41 61.818 62.200 -0.382 1
1 442 . 8 1 1 A 41 41 VAL CB C 41 32.997 32.072 0.925 1
1 445 . 8 1 1 A 41 41 VAL N N 41 119.767 124.086 -4.319 1
1 446 . 8 1 1 A 42 42 VAL H H 42 9.086 8.291 0.795 1
1 447 . 8 1 1 A 42 42 VAL HA H 42 4.528 4.490 0.038 1
1 455 . 8 1 1 A 42 42 VAL C C 42 173.762 174.610 -0.848 1
1 456 . 8 1 1 A 42 42 VAL CA C 42 60.363 60.646 -0.283 1
1 457 . 8 1 1 A 42 42 VAL CB C 42 35.736 35.415 0.321 1
1 460 . 8 1 1 A 42 42 VAL N N 42 129.212 127.488 1.724 1
1 461 . 8 1 1 A 43 43 LEU H H 43 8.855 9.095 -0.240 1
1 462 . 8 1 1 A 43 43 LEU HA H 43 4.651 4.739 -0.088 1
1 472 . 8 1 1 A 43 43 LEU C C 43 175.853 175.596 0.257 1
1 473 . 8 1 1 A 43 43 LEU CA C 43 54.132 54.084 0.048 1
1 474 . 8 1 1 A 43 43 LEU CB C 43 44.039 43.169 0.870 1
1 478 . 8 1 1 A 43 43 LEU N N 43 128.624 130.097 -1.473 1
1 479 . 8 1 1 A 44 44 VAL H H 44 8.835 8.858 -0.023 1
1 480 . 8 1 1 A 44 44 VAL HA H 44 3.837 4.547 -0.710 1
1 488 . 8 1 1 A 44 44 VAL C C 44 174.445 175.724 -1.279 1
1 489 . 8 1 1 A 44 44 VAL CA C 44 64.603 63.695 0.908 1
1 490 . 8 1 1 A 44 44 VAL CB C 44 32.325 32.227 0.098 1
1 493 . 8 1 1 A 44 44 VAL N N 44 126.525 128.010 -1.485 1
1 494 . 8 1 1 A 45 45 LEU H H 45 9.166 10.054 -0.888 1
1 495 . 8 1 1 A 45 45 LEU HA H 45 4.488 4.551 -0.063 1
1 505 . 8 1 1 A 45 45 LEU C C 45 177.820 176.552 1.268 1
1 506 . 8 1 1 A 45 45 LEU CA C 45 56.137 55.677 0.460 1
1 507 . 8 1 1 A 45 45 LEU CB C 45 43.957 43.725 0.232 1
1 511 . 8 1 1 A 45 45 LEU N N 45 127.543 126.861 0.682 1
1 512 . 8 1 1 A 46 46 GLN H H 46 8.074 7.464 0.610 1
1 513 . 8 1 1 A 46 46 GLN HA H 46 4.643 4.783 -0.140 1
1 520 . 8 1 1 A 46 46 GLN C C 46 173.225 174.499 -1.274 1
1 521 . 8 1 1 A 46 46 GLN CA C 46 55.277 54.662 0.615 1
1 522 . 8 1 1 A 46 46 GLN CB C 46 33.285 31.631 1.654 1
1 524 . 8 1 1 A 46 46 GLN N N 46 115.961 116.813 -0.852 1
1 526 . 8 1 1 A 47 47 GLN H H 47 8.683 8.976 -0.293 1
1 527 . 8 1 1 A 47 47 GLN HA H 47 5.194 4.928 0.266 1
1 534 . 8 1 1 A 47 47 GLN C C 47 174.366 174.864 -0.498 1
1 535 . 8 1 1 A 47 47 GLN CA C 47 55.243 55.344 -0.101 1
1 536 . 8 1 1 A 47 47 GLN CB C 47 31.473 29.778 1.695 1
1 538 . 8 1 1 A 47 47 GLN N N 47 121.742 124.228 -2.486 1
1 540 . 8 1 1 A 48 48 GLU H H 48 9.201 9.281 -0.080 1
1 541 . 8 1 1 A 48 48 GLU HA H 48 4.669 5.007 -0.338 1
1 546 . 8 1 1 A 48 48 GLU C C 48 175.622 175.201 0.421 1
1 547 . 8 1 1 A 48 48 GLU CA C 48 56.134 54.767 1.367 1
1 548 . 8 1 1 A 48 48 GLU CB C 48 33.098 32.706 0.392 1
1 550 . 8 1 1 A 48 48 GLU N N 48 124.529 124.677 -0.148 1
1 551 . 8 1 1 A 49 49 ASP H H 49 9.177 8.806 0.371 1
1 552 . 8 1 1 A 49 49 ASP HA H 49 4.424 4.318 0.106 1
1 555 . 8 1 1 A 49 49 ASP C C 49 175.771 176.900 -1.129 1
1 556 . 8 1 1 A 49 49 ASP CA C 49 56.001 56.021 -0.020 1
1 557 . 8 1 1 A 49 49 ASP CB C 49 40.478 40.551 -0.073 1
1 558 . 8 1 1 A 49 49 ASP N N 49 125.649 128.044 -2.395 1
1 559 . 8 1 1 A 50 50 GLY H H 50 8.750 8.795 -0.045 1
1 560 . 8 1 1 A 50 50 GLY HA2 H 50 4.266 4.065 0.201 1
1 561 . 8 1 1 A 50 50 GLY HA3 H 50 3.753 4.149 -0.396 1
1 562 . 8 1 1 A 50 50 GLY C C 50 174.455 173.726 0.729 1
1 563 . 8 1 1 A 50 50 GLY CA C 50 45.969 45.461 0.508 1
1 564 . 8 1 1 A 50 50 GLY N N 50 108.057 113.243 -5.186 1
1 565 . 8 1 1 A 51 51 TRP H H 51 8.427 8.928 -0.501 1
1 566 . 8 1 1 A 51 51 TRP HA H 51 4.877 5.327 -0.450 1
1 575 . 8 1 1 A 51 51 TRP C C 51 173.525 175.482 -1.957 1
1 576 . 8 1 1 A 51 51 TRP CA C 51 57.270 55.624 1.646 1
1 577 . 8 1 1 A 51 51 TRP CB C 51 32.690 34.066 -1.376 1
1 583 . 8 1 1 A 51 51 TRP N N 51 122.784 120.768 2.016 1
1 585 . 8 1 1 A 52 52 LEU H H 52 9.368 9.091 0.277 1
1 586 . 8 1 1 A 52 52 LEU HA H 52 4.987 5.036 -0.049 1
1 596 . 8 1 1 A 52 52 LEU C C 52 173.005 174.074 -1.069 1
1 597 . 8 1 1 A 52 52 LEU CA C 52 52.634 53.069 -0.435 1
1 598 . 8 1 1 A 52 52 LEU CB C 52 43.833 43.677 0.156 1
1 602 . 8 1 1 A 52 52 LEU N N 52 121.750 122.227 -0.477 1
1 603 . 8 1 1 A 53 53 TYR H H 53 8.267 9.283 -1.016 1
1 604 . 8 1 1 A 53 53 TYR HA H 53 4.513 4.693 -0.180 1
1 611 . 8 1 1 A 53 53 TYR C C 53 176.111 174.769 1.342 1
1 612 . 8 1 1 A 53 53 TYR CA C 53 55.283 56.551 -1.268 1
1 613 . 8 1 1 A 53 53 TYR CB C 53 39.251 39.853 -0.602 1
1 618 . 8 1 1 A 53 53 TYR N N 53 122.457 125.727 -3.270 1
1 619 . 8 1 1 A 54 54 GLY H H 54 8.238 7.790 0.448 1
1 620 . 8 1 1 A 54 54 GLY HA2 H 54 4.706 4.059 0.647 1
1 621 . 8 1 1 A 54 54 GLY HA3 H 54 3.802 4.316 -0.514 1
1 622 . 8 1 1 A 54 54 GLY C C 54 168.928 171.232 -2.304 1
1 623 . 8 1 1 A 54 54 GLY CA C 54 45.792 45.570 0.222 1
1 624 . 8 1 1 A 54 54 GLY N N 54 112.598 111.557 1.041 1
1 625 . 8 1 1 A 55 55 GLU H H 55 8.400 9.114 -0.714 1
1 626 . 8 1 1 A 55 55 GLU HA H 55 4.718 5.160 -0.442 1
1 631 . 8 1 1 A 55 55 GLU C C 55 175.540 175.453 0.087 1
1 632 . 8 1 1 A 55 55 GLU CA C 55 53.268 54.749 -1.481 1
1 633 . 8 1 1 A 55 55 GLU CB C 55 34.264 32.690 1.574 1
1 635 . 8 1 1 A 55 55 GLU N N 55 118.345 120.575 -2.230 1
1 636 . 8 1 1 A 56 56 ARG H H 56 9.654 9.336 0.318 1
1 637 . 8 1 1 A 56 56 ARG HA H 56 4.309 4.238 0.071 1
1 645 . 8 1 1 A 56 56 ARG C C 56 176.838 176.394 0.444 1
1 646 . 8 1 1 A 56 56 ARG CA C 56 57.492 56.201 1.291 1
1 647 . 8 1 1 A 56 56 ARG CB C 56 30.854 29.836 1.018 1
1 650 . 8 1 1 A 56 56 ARG N N 56 129.571 128.161 1.410 1
1 652 . 8 1 1 A 57 57 LEU H H 57 8.195 8.034 0.161 1
1 653 . 8 1 1 A 57 57 LEU HA H 57 4.021 4.179 -0.158 1
1 663 . 8 1 1 A 57 57 LEU C C 57 179.671 178.456 1.215 1
1 664 . 8 1 1 A 57 57 LEU CA C 57 58.338 57.705 0.633 1
1 665 . 8 1 1 A 57 57 LEU CB C 57 41.939 41.340 0.599 1
1 669 . 8 1 1 A 57 57 LEU N N 57 129.973 126.463 3.510 1
1 670 . 8 1 1 A 58 58 ARG H H 58 8.494 8.083 0.411 1
1 671 . 8 1 1 A 58 58 ARG HA H 58 4.112 3.978 0.134 1
1 678 . 8 1 1 A 58 58 ARG C C 58 176.402 177.735 -1.333 1
1 679 . 8 1 1 A 58 58 ARG CA C 58 59.139 59.602 -0.463 1
1 680 . 8 1 1 A 58 58 ARG CB C 58 30.106 30.099 0.007 1
1 683 . 8 1 1 A 58 58 ARG N N 58 115.005 120.575 -5.570 1
1 684 . 8 1 1 A 59 59 ASP H H 59 7.392 7.839 -0.447 1
1 685 . 8 1 1 A 59 59 ASP HA H 59 4.803 4.747 0.056 1
1 688 . 8 1 1 A 59 59 ASP C C 59 176.801 176.862 -0.061 1
1 689 . 8 1 1 A 59 59 ASP CA C 59 52.827 53.762 -0.935 1
1 690 . 8 1 1 A 59 59 ASP CB C 59 42.144 42.469 -0.325 1
1 691 . 8 1 1 A 59 59 ASP N N 59 113.739 115.708 -1.969 1
1 692 . 8 1 1 A 60 60 GLY H H 60 8.435 8.761 -0.326 1
1 693 . 8 1 1 A 60 60 GLY HA2 H 60 4.125 3.989 0.136 1
1 694 . 8 1 1 A 60 60 GLY HA3 H 60 3.868 4.001 -0.133 1
1 695 . 8 1 1 A 60 60 GLY C C 60 174.707 174.578 0.129 1
1 696 . 8 1 1 A 60 60 GLY CA C 60 45.917 44.960 0.957 1
1 697 . 8 1 1 A 60 60 GLY N N 60 110.642 105.955 4.687 1
1 698 . 8 1 1 A 61 61 GLU H H 61 7.527 7.918 -0.391 1
1 699 . 8 1 1 A 61 61 GLU HA H 61 4.163 4.287 -0.124 1
1 704 . 8 1 1 A 61 61 GLU C C 61 176.225 176.076 0.149 1
1 705 . 8 1 1 A 61 61 GLU CA C 61 58.222 56.984 1.238 1
1 706 . 8 1 1 A 61 61 GLU CB C 61 29.825 30.449 -0.624 1
1 708 . 8 1 1 A 61 61 GLU N N 61 123.061 121.326 1.735 1
1 709 . 8 1 1 A 62 62 THR H H 62 8.451 8.765 -0.314 1
1 710 . 8 1 1 A 62 62 THR HA H 62 5.666 5.062 0.604 1
1 715 . 8 1 1 A 62 62 THR C C 62 174.469 173.985 0.484 1
1 716 . 8 1 1 A 62 62 THR CA C 62 59.826 60.588 -0.762 1
1 717 . 8 1 1 A 62 62 THR CB C 62 72.751 69.678 3.073 1
1 719 . 8 1 1 A 62 62 THR N N 62 117.411 120.776 -3.365 1
1 720 . 8 1 1 A 63 63 GLY H H 63 7.931 8.280 -0.349 1
1 721 . 8 1 1 A 63 63 GLY HA2 H 63 4.124 4.443 -0.319 1
1 722 . 8 1 1 A 63 63 GLY HA3 H 63 3.936 4.538 -0.602 1
1 723 . 8 1 1 A 63 63 GLY C C 63 170.896 171.924 -1.028 1
1 724 . 8 1 1 A 63 63 GLY CA C 63 45.652 45.405 0.247 1
1 725 . 8 1 1 A 63 63 GLY N N 63 108.439 112.193 -3.754 1
1 726 . 8 1 1 A 64 64 TRP H H 64 9.071 9.347 -0.276 1
1 727 . 8 1 1 A 64 64 TRP HA H 64 6.061 5.747 0.314 1
1 736 . 8 1 1 A 64 64 TRP C C 64 177.395 176.592 0.803 1
1 737 . 8 1 1 A 64 64 TRP CA C 64 57.259 56.699 0.560 1
1 738 . 8 1 1 A 64 64 TRP CB C 64 31.882 31.105 0.777 1
1 744 . 8 1 1 A 64 64 TRP N N 64 119.762 120.694 -0.932 1
1 746 . 8 1 1 A 65 65 PHE H H 65 9.657 9.901 -0.244 1
1 747 . 8 1 1 A 65 65 PHE HA H 65 4.823 5.537 -0.714 1
1 755 . 8 1 1 A 65 65 PHE C C 65 170.814 173.262 -2.448 1
1 756 . 8 1 1 A 65 65 PHE CA C 65 55.578 54.810 0.768 1
1 757 . 8 1 1 A 65 65 PHE CB C 65 38.245 42.457 -4.212 1
1 763 . 8 1 1 A 65 65 PHE N N 65 116.076 120.068 -3.992 1
1 764 . 8 1 1 A 66 66 PRO HA H 66 3.546 4.231 -0.685 1
1 771 . 8 1 1 A 66 66 PRO C C 66 177.963 177.689 0.274 1
1 772 . 8 1 1 A 66 66 PRO CA C 66 62.065 62.120 -0.055 1
1 773 . 8 1 1 A 66 66 PRO CB C 66 31.116 31.896 -0.780 1
1 776 . 8 1 1 A 67 67 GLU H H 67 8.081 8.593 -0.512 1
1 777 . 8 1 1 A 67 67 GLU HA H 67 3.651 4.088 -0.437 1
1 782 . 8 1 1 A 67 67 GLU C C 67 177.298 178.849 -1.551 1
1 783 . 8 1 1 A 67 67 GLU CA C 67 58.746 59.110 -0.364 1
1 784 . 8 1 1 A 67 67 GLU CB C 67 29.820 29.061 0.759 1
1 786 . 8 1 1 A 67 67 GLU N N 67 121.549 122.099 -0.550 1
1 787 . 8 1 1 A 68 68 ASP H H 68 8.456 8.159 0.297 1
1 788 . 8 1 1 A 68 68 ASP HA H 68 4.539 4.296 0.243 1
1 791 . 8 1 1 A 68 68 ASP C C 68 176.157 177.080 -0.923 1
1 792 . 8 1 1 A 68 68 ASP CA C 68 55.225 56.764 -1.539 1
1 793 . 8 1 1 A 68 68 ASP CB C 68 39.633 40.615 -0.982 1
1 794 . 8 1 1 A 68 68 ASP N N 68 113.915 120.701 -6.786 1
1 795 . 8 1 1 A 69 69 PHE H H 69 7.661 7.876 -0.215 1
1 796 . 8 1 1 A 69 69 PHE HA H 69 4.386 4.631 -0.245 1
1 803 . 8 1 1 A 69 69 PHE C C 69 173.252 174.902 -1.650 1
1 804 . 8 1 1 A 69 69 PHE CA C 69 57.758 57.358 0.400 1
1 805 . 8 1 1 A 69 69 PHE CB C 69 37.019 39.110 -2.091 1
1 810 . 8 1 1 A 69 69 PHE N N 69 119.727 116.282 3.445 1
1 811 . 8 1 1 A 70 70 ALA H H 70 7.809 8.801 -0.992 1
1 812 . 8 1 1 A 70 70 ALA HA H 70 5.256 4.767 0.489 1
1 816 . 8 1 1 A 70 70 ALA C C 70 175.703 175.139 0.564 1
1 817 . 8 1 1 A 70 70 ALA CA C 70 50.800 51.314 -0.514 1
1 818 . 8 1 1 A 70 70 ALA CB C 70 24.061 23.356 0.705 1
1 819 . 8 1 1 A 70 70 ALA N N 70 121.782 120.807 0.975 1
1 820 . 8 1 1 A 71 71 ARG H H 71 8.792 8.432 0.360 1
1 821 . 8 1 1 A 71 71 ARG HA H 71 4.828 5.022 -0.194 1
1 828 . 8 1 1 A 71 71 ARG C C 71 175.613 175.639 -0.026 1
1 829 . 8 1 1 A 71 71 ARG CA C 71 54.220 54.217 0.003 1
1 830 . 8 1 1 A 71 71 ARG CB C 71 33.286 32.693 0.593 1
1 833 . 8 1 1 A 71 71 ARG N N 71 119.543 118.412 1.131 1
1 834 . 8 1 1 A 72 72 PHE H H 72 9.194 8.945 0.249 1
1 835 . 8 1 1 A 72 72 PHE HA H 72 4.604 4.400 0.204 1
1 843 . 8 1 1 A 72 72 PHE C C 72 176.818 175.926 0.892 1
1 844 . 8 1 1 A 72 72 PHE CA C 72 59.896 58.938 0.958 1
1 845 . 8 1 1 A 72 72 PHE CB C 72 39.079 38.772 0.307 1
1 851 . 8 1 1 A 72 72 PHE N N 72 125.006 123.945 1.061 1
1 852 . 8 1 1 A 73 73 ILE H H 73 8.574 8.381 0.193 1
1 853 . 8 1 1 A 73 73 ILE HA H 73 4.390 3.895 0.495 1
1 863 . 8 1 1 A 73 73 ILE C C 73 176.086 176.835 -0.749 1
1 864 . 8 1 1 A 73 73 ILE CA C 73 61.450 64.096 -2.646 1
1 865 . 8 1 1 A 73 73 ILE CB C 73 39.508 38.072 1.436 1
1 869 . 8 1 1 A 73 73 ILE N N 73 120.816 127.785 -6.969 1
1 870 . 8 1 1 A 74 74 SER H H 74 8.329 7.788 0.541 1
1 871 . 8 1 1 A 74 74 SER HA H 74 4.626 4.942 -0.316 1
1 874 . 8 1 1 A 74 74 SER C C 74 174.223 173.435 0.788 1
1 875 . 8 1 1 A 74 74 SER CA C 74 58.169 57.904 0.265 1
1 876 . 8 1 1 A 74 74 SER CB C 74 64.370 66.493 -2.123 1
1 877 . 8 1 1 A 74 74 SER N N 74 118.251 112.968 5.283 1
1 878 . 8 1 1 A 75 75 GLY H H 75 8.372 8.840 -0.468 1
1 879 . 8 1 1 A 75 75 GLY HA2 H 75 4.149 4.191 -0.042 1
1 880 . 8 1 1 A 75 75 GLY HA3 H 75 4.149 4.265 -0.116 1
1 881 . 8 1 1 A 75 75 GLY C C 75 171.907 172.656 -0.749 1
1 882 . 8 1 1 A 75 75 GLY CA C 75 44.682 44.212 0.470 1
1 883 . 8 1 1 A 75 75 GLY N N 75 109.951 112.424 -2.473 1
1 884 . 8 1 1 A 76 76 PRO HA H 76 4.456 4.669 -0.213 1
1 891 . 8 1 1 A 76 76 PRO CA C 76 63.394 62.624 0.770 1
1 892 . 8 1 1 A 76 76 PRO CB C 76 32.180 32.840 -0.660 1
1 1 . 9 1 1 A 6 6 SER HA H 6 4.486 4.736 -0.250 1
1 3 . 9 1 1 A 6 6 SER CA C 6 58.492 58.729 -0.237 1
1 4 . 9 1 1 A 6 6 SER CB C 6 64.343 65.930 -1.587 1
1 5 . 9 1 1 A 7 7 GLY H H 7 8.044 7.484 0.560 1
1 6 . 9 1 1 A 7 7 GLY HA2 H 7 4.458 4.127 0.331 1
1 7 . 9 1 1 A 7 7 GLY HA3 H 7 3.780 4.222 -0.442 1
1 8 . 9 1 1 A 7 7 GLY C C 7 174.131 174.803 -0.672 1
1 9 . 9 1 1 A 7 7 GLY CA C 7 45.458 44.401 1.057 1
1 10 . 9 1 1 A 7 7 GLY N N 7 116.867 105.934 10.933 1
1 11 . 9 1 1 A 8 8 TRP H H 8 8.111 8.655 -0.544 1
1 12 . 9 1 1 A 8 8 TRP HA H 8 4.626 4.829 -0.203 1
1 21 . 9 1 1 A 8 8 TRP C C 8 176.673 176.439 0.234 1
1 22 . 9 1 1 A 8 8 TRP CA C 8 57.729 58.663 -0.934 1
1 23 . 9 1 1 A 8 8 TRP CB C 8 29.413 30.771 -1.358 1
1 29 . 9 1 1 A 8 8 TRP N N 8 121.258 119.761 1.497 1
1 31 . 9 1 1 A 9 9 GLN H H 9 8.229 8.259 -0.030 1
1 32 . 9 1 1 A 9 9 GLN HA H 9 4.133 3.956 0.177 1
1 39 . 9 1 1 A 9 9 GLN C C 9 176.147 175.678 0.469 1
1 40 . 9 1 1 A 9 9 GLN CA C 9 56.283 56.976 -0.693 1
1 41 . 9 1 1 A 9 9 GLN CB C 9 29.125 27.836 1.289 1
1 43 . 9 1 1 A 9 9 GLN N N 9 122.756 119.217 3.539 1
1 45 . 9 1 1 A 10 10 GLY H H 10 7.500 8.579 -1.079 1
1 46 . 9 1 1 A 10 10 GLY HA2 H 10 3.744 4.147 -0.403 1
1 47 . 9 1 1 A 10 10 GLY HA3 H 10 3.714 4.152 -0.438 1
1 48 . 9 1 1 A 10 10 GLY C C 10 174.092 175.077 -0.985 1
1 49 . 9 1 1 A 10 10 GLY CA C 10 45.335 45.202 0.133 1
1 50 . 9 1 1 A 10 10 GLY N N 10 108.221 104.796 3.425 1
1 51 . 9 1 1 A 11 11 LEU H H 11 8.029 8.229 -0.200 1
1 52 . 9 1 1 A 11 11 LEU HA H 11 4.368 4.292 0.076 1
1 62 . 9 1 1 A 11 11 LEU C C 11 177.808 176.416 1.392 1
1 63 . 9 1 1 A 11 11 LEU CA C 11 55.348 57.918 -2.570 1
1 64 . 9 1 1 A 11 11 LEU CB C 11 42.515 42.344 0.171 1
1 68 . 9 1 1 A 11 11 LEU N N 11 121.136 124.270 -3.134 1
1 69 . 9 1 1 A 12 12 SER H H 12 8.388 7.924 0.464 1
1 70 . 9 1 1 A 12 12 SER HA H 12 4.370 4.499 -0.129 1
1 73 . 9 1 1 A 12 12 SER CA C 12 58.716 60.682 -1.966 1
1 74 . 9 1 1 A 12 12 SER CB C 12 63.835 62.164 1.671 1
1 75 . 9 1 1 A 12 12 SER N N 12 116.252 114.463 1.789 1
1 76 . 9 1 1 A 13 13 SER HA H 13 4.481 4.375 0.106 1
1 79 . 9 1 1 A 13 13 SER C C 13 175.161 174.025 1.136 1
1 80 . 9 1 1 A 13 13 SER CA C 13 58.442 60.282 -1.840 1
1 81 . 9 1 1 A 13 13 SER CB C 13 63.798 62.484 1.314 1
1 82 . 9 1 1 A 14 14 LYS H H 14 8.372 8.717 -0.345 1
1 83 . 9 1 1 A 14 14 LYS HA H 14 4.226 4.344 -0.118 1
1 92 . 9 1 1 A 14 14 LYS C C 14 177.249 176.868 0.381 1
1 93 . 9 1 1 A 14 14 LYS CA C 14 57.303 57.722 -0.419 1
1 94 . 9 1 1 A 14 14 LYS CB C 14 32.694 31.379 1.315 1
1 98 . 9 1 1 A 14 14 LYS N N 14 123.245 118.923 4.322 1
1 99 . 9 1 1 A 15 15 GLY H H 15 8.213 8.761 -0.548 1
1 100 . 9 1 1 A 15 15 GLY HA2 H 15 3.924 4.053 -0.129 1
1 101 . 9 1 1 A 15 15 GLY HA3 H 15 3.924 4.056 -0.132 1
1 102 . 9 1 1 A 15 15 GLY C C 15 173.863 173.635 0.228 1
1 103 . 9 1 1 A 15 15 GLY CA C 15 45.599 45.478 0.121 1
1 104 . 9 1 1 A 15 15 GLY N N 15 107.368 112.227 -4.859 1
1 105 . 9 1 1 A 16 16 ASP H H 16 8.091 8.286 -0.195 1
1 106 . 9 1 1 A 16 16 ASP HA H 16 4.711 4.839 -0.128 1
1 109 . 9 1 1 A 16 16 ASP C C 16 176.074 175.002 1.072 1
1 110 . 9 1 1 A 16 16 ASP CA C 16 54.167 53.106 1.061 1
1 111 . 9 1 1 A 16 16 ASP CB C 16 41.155 41.517 -0.362 1
1 112 . 9 1 1 A 16 16 ASP N N 16 119.368 121.771 -2.403 1
1 113 . 9 1 1 A 17 17 LEU H H 17 7.757 7.424 0.333 1
1 114 . 9 1 1 A 17 17 LEU HA H 17 4.641 4.374 0.267 1
1 124 . 9 1 1 A 17 17 LEU C C 17 174.627 174.982 -0.355 1
1 125 . 9 1 1 A 17 17 LEU CA C 17 53.286 53.900 -0.614 1
1 126 . 9 1 1 A 17 17 LEU CB C 17 41.003 41.800 -0.797 1
1 130 . 9 1 1 A 17 17 LEU N N 17 122.770 121.843 0.927 1
1 131 . 9 1 1 A 18 18 PRO HA H 18 4.619 4.681 -0.062 1
1 138 . 9 1 1 A 18 18 PRO C C 18 175.014 175.230 -0.216 1
1 139 . 9 1 1 A 18 18 PRO CA C 18 62.756 62.325 0.431 1
1 140 . 9 1 1 A 18 18 PRO CB C 18 32.631 33.141 -0.510 1
1 143 . 9 1 1 A 19 19 GLN H H 19 8.295 8.669 -0.374 1
1 144 . 9 1 1 A 19 19 GLN HA H 19 5.396 4.763 0.633 1
1 151 . 9 1 1 A 19 19 GLN C C 19 176.012 174.317 1.695 1
1 152 . 9 1 1 A 19 19 GLN CA C 19 54.094 54.583 -0.489 1
1 153 . 9 1 1 A 19 19 GLN CB C 19 32.478 33.526 -1.048 1
1 155 . 9 1 1 A 19 19 GLN N N 19 117.612 118.638 -1.026 1
1 157 . 9 1 1 A 20 20 VAL H H 20 9.005 8.113 0.892 1
1 158 . 9 1 1 A 20 20 VAL HA H 20 5.133 4.893 0.240 1
1 166 . 9 1 1 A 20 20 VAL C C 20 173.875 173.742 0.133 1
1 167 . 9 1 1 A 20 20 VAL CA C 20 57.486 59.193 -1.707 1
1 168 . 9 1 1 A 20 20 VAL CB C 20 35.076 35.559 -0.483 1
1 171 . 9 1 1 A 20 20 VAL N N 20 112.092 117.560 -5.468 1
1 172 . 9 1 1 A 21 21 GLU H H 21 8.901 8.583 0.318 1
1 173 . 9 1 1 A 21 21 GLU HA H 21 5.199 4.856 0.343 1
1 178 . 9 1 1 A 21 21 GLU C C 21 175.780 175.813 -0.033 1
1 179 . 9 1 1 A 21 21 GLU CA C 21 53.268 55.029 -1.761 1
1 180 . 9 1 1 A 21 21 GLU CB C 21 32.997 31.601 1.396 1
1 182 . 9 1 1 A 21 21 GLU N N 21 119.970 123.475 -3.505 1
1 183 . 9 1 1 A 22 22 ILE H H 22 8.656 9.742 -1.086 1
1 184 . 9 1 1 A 22 22 ILE HA H 22 4.742 4.429 0.313 1
1 194 . 9 1 1 A 22 22 ILE C C 22 179.107 177.981 1.126 1
1 195 . 9 1 1 A 22 22 ILE CA C 22 58.064 61.801 -3.737 1
1 196 . 9 1 1 A 22 22 ILE CB C 22 34.481 37.069 -2.588 1
1 200 . 9 1 1 A 22 22 ILE N N 22 125.654 127.853 -2.199 1
1 201 . 9 1 1 A 23 23 THR H H 23 9.206 8.760 0.446 1
1 202 . 9 1 1 A 23 23 THR HA H 23 4.230 4.282 -0.052 1
1 207 . 9 1 1 A 23 23 THR C C 23 174.481 174.522 -0.041 1
1 208 . 9 1 1 A 23 23 THR CA C 23 62.787 63.500 -0.713 1
1 209 . 9 1 1 A 23 23 THR CB C 23 68.779 69.186 -0.407 1
1 211 . 9 1 1 A 23 23 THR N N 23 122.259 119.522 2.737 1
1 212 . 9 1 1 A 24 24 LYS H H 24 7.443 7.721 -0.278 1
1 213 . 9 1 1 A 24 24 LYS HA H 24 4.332 4.828 -0.496 1
1 222 . 9 1 1 A 24 24 LYS C C 24 172.169 175.301 -3.132 1
1 223 . 9 1 1 A 24 24 LYS CA C 24 55.154 54.772 0.382 1
1 224 . 9 1 1 A 24 24 LYS CB C 24 35.137 35.615 -0.478 1
1 228 . 9 1 1 A 24 24 LYS N N 24 121.874 117.856 4.018 1
1 229 . 9 1 1 A 25 25 ALA H H 25 8.259 8.662 -0.403 1
1 230 . 9 1 1 A 25 25 ALA HA H 25 3.914 4.366 -0.452 1
1 234 . 9 1 1 A 25 25 ALA C C 25 176.411 176.886 -0.475 1
1 235 . 9 1 1 A 25 25 ALA CA C 25 53.409 52.887 0.522 1
1 236 . 9 1 1 A 25 25 ALA CB C 25 19.113 19.019 0.094 1
1 237 . 9 1 1 A 25 25 ALA N N 25 121.708 124.768 -3.060 1
1 238 . 9 1 1 A 26 26 PHE H H 26 8.058 8.473 -0.415 1
1 239 . 9 1 1 A 26 26 PHE HA H 26 4.742 5.061 -0.319 1
1 247 . 9 1 1 A 26 26 PHE C C 26 172.769 174.271 -1.502 1
1 248 . 9 1 1 A 26 26 PHE CA C 26 56.354 55.797 0.557 1
1 249 . 9 1 1 A 26 26 PHE CB C 26 42.608 40.164 2.444 1
1 255 . 9 1 1 A 26 26 PHE N N 26 121.151 124.012 -2.861 1
1 256 . 9 1 1 A 27 27 PHE H H 27 7.752 8.577 -0.825 1
1 257 . 9 1 1 A 27 27 PHE HA H 27 4.469 4.305 0.164 1
1 265 . 9 1 1 A 27 27 PHE C C 27 173.594 175.355 -1.761 1
1 266 . 9 1 1 A 27 27 PHE CA C 27 56.088 58.966 -2.878 1
1 267 . 9 1 1 A 27 27 PHE CB C 27 39.425 38.949 0.476 1
1 273 . 9 1 1 A 27 27 PHE N N 27 125.818 126.007 -0.189 1
1 274 . 9 1 1 A 28 28 ALA H H 28 8.045 8.188 -0.143 1
1 275 . 9 1 1 A 28 28 ALA HA H 28 4.002 3.902 0.100 1
1 279 . 9 1 1 A 28 28 ALA C C 28 178.303 178.322 -0.019 1
1 280 . 9 1 1 A 28 28 ALA CA C 28 52.898 52.660 0.238 1
1 281 . 9 1 1 A 28 28 ALA CB C 28 20.853 18.985 1.868 1
1 282 . 9 1 1 A 28 28 ALA N N 28 126.105 127.486 -1.381 1
1 283 . 9 1 1 A 29 29 LYS H H 29 9.282 9.278 0.004 1
1 284 . 9 1 1 A 29 29 LYS HA H 29 4.524 4.628 -0.104 1
1 293 . 9 1 1 A 29 29 LYS C C 29 176.347 176.267 0.080 1
1 294 . 9 1 1 A 29 29 LYS CA C 29 56.187 56.612 -0.425 1
1 295 . 9 1 1 A 29 29 LYS CB C 29 34.585 34.280 0.305 1
1 299 . 9 1 1 A 29 29 LYS N N 29 120.760 119.509 1.251 1
1 300 . 9 1 1 A 30 30 GLN H H 30 7.738 7.868 -0.130 1
1 301 . 9 1 1 A 30 30 GLN HA H 30 4.657 4.605 0.052 1
1 308 . 9 1 1 A 30 30 GLN C C 30 177.059 176.362 0.697 1
1 309 . 9 1 1 A 30 30 GLN CA C 30 53.885 54.395 -0.510 1
1 310 . 9 1 1 A 30 30 GLN CB C 30 31.349 30.220 1.129 1
1 312 . 9 1 1 A 30 30 GLN N N 30 116.957 119.100 -2.143 1
1 314 . 9 1 1 A 31 31 ALA H H 31 8.719 8.433 0.286 1
1 315 . 9 1 1 A 31 31 ALA HA H 31 4.189 4.263 -0.074 1
1 319 . 9 1 1 A 31 31 ALA C C 31 177.686 178.208 -0.522 1
1 320 . 9 1 1 A 31 31 ALA CA C 31 54.960 53.078 1.882 1
1 321 . 9 1 1 A 31 31 ALA CB C 31 18.859 19.387 -0.528 1
1 322 . 9 1 1 A 31 31 ALA N N 31 122.985 123.514 -0.529 1
1 323 . 9 1 1 A 32 32 ASP H H 32 8.436 8.357 0.079 1
1 324 . 9 1 1 A 32 32 ASP HA H 32 4.904 4.772 0.132 1
1 327 . 9 1 1 A 32 32 ASP C C 32 176.845 176.416 0.429 1
1 328 . 9 1 1 A 32 32 ASP CA C 32 54.044 54.254 -0.210 1
1 329 . 9 1 1 A 32 32 ASP CB C 32 40.166 41.497 -1.331 1
1 330 . 9 1 1 A 32 32 ASP N N 32 113.224 116.374 -3.150 1
1 331 . 9 1 1 A 33 33 GLU H H 33 7.632 8.062 -0.430 1
1 332 . 9 1 1 A 33 33 GLU HA H 33 5.578 5.035 0.543 1
1 337 . 9 1 1 A 33 33 GLU C C 33 175.518 175.504 0.014 1
1 338 . 9 1 1 A 33 33 GLU CA C 33 55.437 55.851 -0.414 1
1 339 . 9 1 1 A 33 33 GLU CB C 33 33.079 31.527 1.552 1
1 341 . 9 1 1 A 33 33 GLU N N 33 119.902 120.203 -0.301 1
1 342 . 9 1 1 A 34 34 VAL H H 34 8.311 9.006 -0.695 1
1 343 . 9 1 1 A 34 34 VAL HA H 34 4.791 4.864 -0.073 1
1 351 . 9 1 1 A 34 34 VAL C C 34 171.861 174.364 -2.503 1
1 352 . 9 1 1 A 34 34 VAL CA C 34 58.152 60.197 -2.045 1
1 353 . 9 1 1 A 34 34 VAL CB C 34 35.881 35.880 0.001 1
1 356 . 9 1 1 A 34 34 VAL N N 34 119.872 120.946 -1.074 1
1 357 . 9 1 1 A 35 35 THR H H 35 8.047 8.657 -0.610 1
1 358 . 9 1 1 A 35 35 THR HA H 35 4.559 4.744 -0.185 1
1 363 . 9 1 1 A 35 35 THR C C 35 174.643 174.015 0.628 1
1 364 . 9 1 1 A 35 35 THR CA C 35 62.859 62.746 0.113 1
1 365 . 9 1 1 A 35 35 THR CB C 35 69.626 69.259 0.367 1
1 367 . 9 1 1 A 35 35 THR N N 35 123.767 122.705 1.062 1
1 368 . 9 1 1 A 36 36 LEU H H 36 9.001 8.516 0.485 1
1 369 . 9 1 1 A 36 36 LEU HA H 36 4.571 4.971 -0.400 1
1 379 . 9 1 1 A 36 36 LEU C C 36 176.087 175.578 0.509 1
1 380 . 9 1 1 A 36 36 LEU CA C 36 53.374 53.624 -0.250 1
1 381 . 9 1 1 A 36 36 LEU CB C 36 47.954 46.415 1.539 1
1 385 . 9 1 1 A 36 36 LEU N N 36 127.439 126.001 1.438 1
1 386 . 9 1 1 A 37 37 GLN H H 37 8.889 8.827 0.062 1
1 387 . 9 1 1 A 37 37 GLN HA H 37 4.298 4.794 -0.496 1
1 394 . 9 1 1 A 37 37 GLN C C 37 175.508 174.901 0.607 1
1 395 . 9 1 1 A 37 37 GLN CA C 37 53.621 53.756 -0.135 1
1 396 . 9 1 1 A 37 37 GLN CB C 37 30.567 32.344 -1.777 1
1 398 . 9 1 1 A 37 37 GLN N N 37 121.687 119.926 1.761 1
1 400 . 9 1 1 A 38 38 GLN H H 38 8.517 8.521 -0.004 1
1 401 . 9 1 1 A 38 38 GLN HA H 38 3.378 3.992 -0.614 1
1 408 . 9 1 1 A 38 38 GLN C C 38 176.738 176.401 0.337 1
1 409 . 9 1 1 A 38 38 GLN CA C 38 58.584 57.071 1.513 1
1 410 . 9 1 1 A 38 38 GLN CB C 38 28.151 28.649 -0.498 1
1 412 . 9 1 1 A 38 38 GLN N N 38 120.664 122.019 -1.355 1
1 414 . 9 1 1 A 39 39 ALA H H 39 9.200 9.668 -0.468 1
1 415 . 9 1 1 A 39 39 ALA HA H 39 3.948 3.858 0.090 1
1 419 . 9 1 1 A 39 39 ALA C C 39 177.251 175.753 1.498 1
1 420 . 9 1 1 A 39 39 ALA CA C 39 54.731 53.121 1.610 1
1 421 . 9 1 1 A 39 39 ALA CB C 39 17.134 17.308 -0.174 1
1 422 . 9 1 1 A 39 39 ALA N N 39 123.253 123.748 -0.495 1
1 423 . 9 1 1 A 40 40 ASP H H 40 8.025 7.351 0.674 1
1 424 . 9 1 1 A 40 40 ASP HA H 40 4.498 5.039 -0.541 1
1 427 . 9 1 1 A 40 40 ASP C C 40 175.010 175.585 -0.575 1
1 428 . 9 1 1 A 40 40 ASP CA C 40 56.407 53.069 3.338 1
1 429 . 9 1 1 A 40 40 ASP CB C 40 41.713 42.704 -0.991 1
1 430 . 9 1 1 A 40 40 ASP N N 40 121.075 116.767 4.308 1
1 431 . 9 1 1 A 41 41 VAL H H 41 7.518 8.725 -1.207 1
1 432 . 9 1 1 A 41 41 VAL HA H 41 5.060 4.494 0.566 1
1 440 . 9 1 1 A 41 41 VAL C C 41 176.546 174.926 1.620 1
1 441 . 9 1 1 A 41 41 VAL CA C 41 61.818 61.815 0.003 1
1 442 . 9 1 1 A 41 41 VAL CB C 41 32.997 32.538 0.459 1
1 445 . 9 1 1 A 41 41 VAL N N 41 119.767 123.996 -4.229 1
1 446 . 9 1 1 A 42 42 VAL H H 42 9.086 8.273 0.813 1
1 447 . 9 1 1 A 42 42 VAL HA H 42 4.528 4.414 0.114 1
1 455 . 9 1 1 A 42 42 VAL C C 42 173.762 174.637 -0.875 1
1 456 . 9 1 1 A 42 42 VAL CA C 42 60.363 60.601 -0.238 1
1 457 . 9 1 1 A 42 42 VAL CB C 42 35.736 35.508 0.228 1
1 460 . 9 1 1 A 42 42 VAL N N 42 129.212 127.407 1.805 1
1 461 . 9 1 1 A 43 43 LEU H H 43 8.855 9.042 -0.187 1
1 462 . 9 1 1 A 43 43 LEU HA H 43 4.651 4.741 -0.090 1
1 472 . 9 1 1 A 43 43 LEU C C 43 175.853 175.800 0.053 1
1 473 . 9 1 1 A 43 43 LEU CA C 43 54.132 54.131 0.001 1
1 474 . 9 1 1 A 43 43 LEU CB C 43 44.039 43.131 0.908 1
1 478 . 9 1 1 A 43 43 LEU N N 43 128.624 130.185 -1.561 1
1 479 . 9 1 1 A 44 44 VAL H H 44 8.835 8.568 0.267 1
1 480 . 9 1 1 A 44 44 VAL HA H 44 3.837 4.449 -0.612 1
1 488 . 9 1 1 A 44 44 VAL C C 44 174.445 175.769 -1.324 1
1 489 . 9 1 1 A 44 44 VAL CA C 44 64.603 63.549 1.054 1
1 490 . 9 1 1 A 44 44 VAL CB C 44 32.325 32.353 -0.028 1
1 493 . 9 1 1 A 44 44 VAL N N 44 126.525 128.049 -1.524 1
1 494 . 9 1 1 A 45 45 LEU H H 45 9.166 10.138 -0.972 1
1 495 . 9 1 1 A 45 45 LEU HA H 45 4.488 4.600 -0.112 1
1 505 . 9 1 1 A 45 45 LEU C C 45 177.820 176.423 1.397 1
1 506 . 9 1 1 A 45 45 LEU CA C 45 56.137 55.632 0.505 1
1 507 . 9 1 1 A 45 45 LEU CB C 45 43.957 43.936 0.021 1
1 511 . 9 1 1 A 45 45 LEU N N 45 127.543 126.548 0.995 1
1 512 . 9 1 1 A 46 46 GLN H H 46 8.074 7.544 0.530 1
1 513 . 9 1 1 A 46 46 GLN HA H 46 4.643 4.797 -0.154 1
1 520 . 9 1 1 A 46 46 GLN C C 46 173.225 174.622 -1.397 1
1 521 . 9 1 1 A 46 46 GLN CA C 46 55.277 54.474 0.803 1
1 522 . 9 1 1 A 46 46 GLN CB C 46 33.285 31.182 2.103 1
1 524 . 9 1 1 A 46 46 GLN N N 46 115.961 116.687 -0.726 1
1 526 . 9 1 1 A 47 47 GLN H H 47 8.683 8.941 -0.258 1
1 527 . 9 1 1 A 47 47 GLN HA H 47 5.194 4.903 0.291 1
1 534 . 9 1 1 A 47 47 GLN C C 47 174.366 174.856 -0.490 1
1 535 . 9 1 1 A 47 47 GLN CA C 47 55.243 55.604 -0.361 1
1 536 . 9 1 1 A 47 47 GLN CB C 47 31.473 29.874 1.599 1
1 538 . 9 1 1 A 47 47 GLN N N 47 121.742 124.466 -2.724 1
1 540 . 9 1 1 A 48 48 GLU H H 48 9.201 9.252 -0.051 1
1 541 . 9 1 1 A 48 48 GLU HA H 48 4.669 5.026 -0.357 1
1 546 . 9 1 1 A 48 48 GLU C C 48 175.622 175.222 0.400 1
1 547 . 9 1 1 A 48 48 GLU CA C 48 56.134 54.814 1.320 1
1 548 . 9 1 1 A 48 48 GLU CB C 48 33.098 32.714 0.384 1
1 550 . 9 1 1 A 48 48 GLU N N 48 124.529 124.654 -0.125 1
1 551 . 9 1 1 A 49 49 ASP H H 49 9.177 8.808 0.369 1
1 552 . 9 1 1 A 49 49 ASP HA H 49 4.424 4.354 0.070 1
1 555 . 9 1 1 A 49 49 ASP C C 49 175.771 176.899 -1.128 1
1 556 . 9 1 1 A 49 49 ASP CA C 49 56.001 56.022 -0.021 1
1 557 . 9 1 1 A 49 49 ASP CB C 49 40.478 40.550 -0.072 1
1 558 . 9 1 1 A 49 49 ASP N N 49 125.649 127.959 -2.310 1
1 559 . 9 1 1 A 50 50 GLY H H 50 8.750 8.792 -0.042 1
1 560 . 9 1 1 A 50 50 GLY HA2 H 50 4.266 4.036 0.230 1
1 561 . 9 1 1 A 50 50 GLY HA3 H 50 3.753 4.135 -0.382 1
1 562 . 9 1 1 A 50 50 GLY C C 50 174.455 173.679 0.776 1
1 563 . 9 1 1 A 50 50 GLY CA C 50 45.969 45.439 0.530 1
1 564 . 9 1 1 A 50 50 GLY N N 50 108.057 113.238 -5.181 1
1 565 . 9 1 1 A 51 51 TRP H H 51 8.427 9.016 -0.589 1
1 566 . 9 1 1 A 51 51 TRP HA H 51 4.877 5.319 -0.442 1
1 575 . 9 1 1 A 51 51 TRP C C 51 173.525 175.466 -1.941 1
1 576 . 9 1 1 A 51 51 TRP CA C 51 57.270 55.618 1.652 1
1 577 . 9 1 1 A 51 51 TRP CB C 51 32.690 34.065 -1.375 1
1 583 . 9 1 1 A 51 51 TRP N N 51 122.784 120.752 2.032 1
1 585 . 9 1 1 A 52 52 LEU H H 52 9.368 9.024 0.344 1
1 586 . 9 1 1 A 52 52 LEU HA H 52 4.987 5.004 -0.017 1
1 596 . 9 1 1 A 52 52 LEU C C 52 173.005 174.059 -1.054 1
1 597 . 9 1 1 A 52 52 LEU CA C 52 52.634 52.956 -0.322 1
1 598 . 9 1 1 A 52 52 LEU CB C 52 43.833 43.734 0.099 1
1 602 . 9 1 1 A 52 52 LEU N N 52 121.750 121.953 -0.203 1
1 603 . 9 1 1 A 53 53 TYR H H 53 8.267 9.435 -1.168 1
1 604 . 9 1 1 A 53 53 TYR HA H 53 4.513 4.650 -0.137 1
1 611 . 9 1 1 A 53 53 TYR C C 53 176.111 175.058 1.053 1
1 612 . 9 1 1 A 53 53 TYR CA C 53 55.283 57.046 -1.763 1
1 613 . 9 1 1 A 53 53 TYR CB C 53 39.251 39.468 -0.217 1
1 618 . 9 1 1 A 53 53 TYR N N 53 122.457 126.001 -3.544 1
1 619 . 9 1 1 A 54 54 GLY H H 54 8.238 7.856 0.382 1
1 620 . 9 1 1 A 54 54 GLY HA2 H 54 4.706 4.149 0.557 1
1 621 . 9 1 1 A 54 54 GLY HA3 H 54 3.802 4.396 -0.594 1
1 622 . 9 1 1 A 54 54 GLY C C 54 168.928 171.544 -2.616 1
1 623 . 9 1 1 A 54 54 GLY CA C 54 45.792 45.621 0.171 1
1 624 . 9 1 1 A 54 54 GLY N N 54 112.598 112.049 0.549 1
1 625 . 9 1 1 A 55 55 GLU H H 55 8.400 9.278 -0.878 1
1 626 . 9 1 1 A 55 55 GLU HA H 55 4.718 5.149 -0.431 1
1 631 . 9 1 1 A 55 55 GLU C C 55 175.540 175.535 0.005 1
1 632 . 9 1 1 A 55 55 GLU CA C 55 53.268 54.744 -1.476 1
1 633 . 9 1 1 A 55 55 GLU CB C 55 34.264 32.814 1.450 1
1 635 . 9 1 1 A 55 55 GLU N N 55 118.345 120.654 -2.309 1
1 636 . 9 1 1 A 56 56 ARG H H 56 9.654 9.315 0.339 1
1 637 . 9 1 1 A 56 56 ARG HA H 56 4.309 4.323 -0.014 1
1 645 . 9 1 1 A 56 56 ARG C C 56 176.838 176.763 0.075 1
1 646 . 9 1 1 A 56 56 ARG CA C 56 57.492 56.765 0.727 1
1 647 . 9 1 1 A 56 56 ARG CB C 56 30.854 30.863 -0.009 1
1 650 . 9 1 1 A 56 56 ARG N N 56 129.571 127.858 1.713 1
1 652 . 9 1 1 A 57 57 LEU H H 57 8.195 8.236 -0.041 1
1 653 . 9 1 1 A 57 57 LEU HA H 57 4.021 4.127 -0.106 1
1 663 . 9 1 1 A 57 57 LEU C C 57 179.671 178.893 0.778 1
1 664 . 9 1 1 A 57 57 LEU CA C 57 58.338 56.903 1.435 1
1 665 . 9 1 1 A 57 57 LEU CB C 57 41.939 41.395 0.544 1
1 669 . 9 1 1 A 57 57 LEU N N 57 129.973 127.377 2.596 1
1 670 . 9 1 1 A 58 58 ARG H H 58 8.494 8.159 0.335 1
1 671 . 9 1 1 A 58 58 ARG HA H 58 4.112 3.997 0.115 1
1 678 . 9 1 1 A 58 58 ARG C C 58 176.402 177.285 -0.883 1
1 679 . 9 1 1 A 58 58 ARG CA C 58 59.139 59.644 -0.505 1
1 680 . 9 1 1 A 58 58 ARG CB C 58 30.106 30.129 -0.023 1
1 683 . 9 1 1 A 58 58 ARG N N 58 115.005 120.972 -5.967 1
1 684 . 9 1 1 A 59 59 ASP H H 59 7.392 7.892 -0.500 1
1 685 . 9 1 1 A 59 59 ASP HA H 59 4.803 4.755 0.048 1
1 688 . 9 1 1 A 59 59 ASP C C 59 176.801 176.682 0.119 1
1 689 . 9 1 1 A 59 59 ASP CA C 59 52.827 53.263 -0.436 1
1 690 . 9 1 1 A 59 59 ASP CB C 59 42.144 42.587 -0.443 1
1 691 . 9 1 1 A 59 59 ASP N N 59 113.739 115.131 -1.392 1
1 692 . 9 1 1 A 60 60 GLY H H 60 8.435 8.287 0.148 1
1 693 . 9 1 1 A 60 60 GLY HA2 H 60 4.125 4.008 0.117 1
1 694 . 9 1 1 A 60 60 GLY HA3 H 60 3.868 4.034 -0.166 1
1 695 . 9 1 1 A 60 60 GLY C C 60 174.707 174.530 0.177 1
1 696 . 9 1 1 A 60 60 GLY CA C 60 45.917 45.075 0.842 1
1 697 . 9 1 1 A 60 60 GLY N N 60 110.642 109.169 1.473 1
1 698 . 9 1 1 A 61 61 GLU H H 61 7.527 7.933 -0.406 1
1 699 . 9 1 1 A 61 61 GLU HA H 61 4.163 4.293 -0.130 1
1 704 . 9 1 1 A 61 61 GLU C C 61 176.225 175.919 0.306 1
1 705 . 9 1 1 A 61 61 GLU CA C 61 58.222 57.169 1.053 1
1 706 . 9 1 1 A 61 61 GLU CB C 61 29.825 30.270 -0.445 1
1 708 . 9 1 1 A 61 61 GLU N N 61 123.061 121.219 1.842 1
1 709 . 9 1 1 A 62 62 THR H H 62 8.451 8.804 -0.353 1
1 710 . 9 1 1 A 62 62 THR HA H 62 5.666 5.147 0.519 1
1 715 . 9 1 1 A 62 62 THR C C 62 174.469 173.914 0.555 1
1 716 . 9 1 1 A 62 62 THR CA C 62 59.826 60.495 -0.669 1
1 717 . 9 1 1 A 62 62 THR CB C 62 72.751 69.833 2.918 1
1 719 . 9 1 1 A 62 62 THR N N 62 117.411 121.170 -3.759 1
1 720 . 9 1 1 A 63 63 GLY H H 63 7.931 8.252 -0.321 1
1 721 . 9 1 1 A 63 63 GLY HA2 H 63 4.124 4.449 -0.325 1
1 722 . 9 1 1 A 63 63 GLY HA3 H 63 3.936 4.534 -0.598 1
1 723 . 9 1 1 A 63 63 GLY C C 63 170.896 171.821 -0.925 1
1 724 . 9 1 1 A 63 63 GLY CA C 63 45.652 45.411 0.241 1
1 725 . 9 1 1 A 63 63 GLY N N 63 108.439 112.075 -3.636 1
1 726 . 9 1 1 A 64 64 TRP H H 64 9.071 9.188 -0.117 1
1 727 . 9 1 1 A 64 64 TRP HA H 64 6.061 5.621 0.440 1
1 736 . 9 1 1 A 64 64 TRP C C 64 177.395 176.538 0.857 1
1 737 . 9 1 1 A 64 64 TRP CA C 64 57.259 56.450 0.809 1
1 738 . 9 1 1 A 64 64 TRP CB C 64 31.882 30.746 1.136 1
1 744 . 9 1 1 A 64 64 TRP N N 64 119.762 120.361 -0.599 1
1 746 . 9 1 1 A 65 65 PHE H H 65 9.657 9.430 0.227 1
1 747 . 9 1 1 A 65 65 PHE HA H 65 4.823 5.494 -0.671 1
1 755 . 9 1 1 A 65 65 PHE C C 65 170.814 173.425 -2.611 1
1 756 . 9 1 1 A 65 65 PHE CA C 65 55.578 55.026 0.552 1
1 757 . 9 1 1 A 65 65 PHE CB C 65 38.245 42.202 -3.957 1
1 763 . 9 1 1 A 65 65 PHE N N 65 116.076 120.918 -4.842 1
1 764 . 9 1 1 A 66 66 PRO HA H 66 3.546 4.261 -0.715 1
1 771 . 9 1 1 A 66 66 PRO C C 66 177.963 177.756 0.207 1
1 772 . 9 1 1 A 66 66 PRO CA C 66 62.065 62.251 -0.186 1
1 773 . 9 1 1 A 66 66 PRO CB C 66 31.116 31.998 -0.882 1
1 776 . 9 1 1 A 67 67 GLU H H 67 8.081 8.583 -0.502 1
1 777 . 9 1 1 A 67 67 GLU HA H 67 3.651 4.081 -0.430 1
1 782 . 9 1 1 A 67 67 GLU C C 67 177.298 178.550 -1.252 1
1 783 . 9 1 1 A 67 67 GLU CA C 67 58.746 59.197 -0.451 1
1 784 . 9 1 1 A 67 67 GLU CB C 67 29.820 29.043 0.777 1
1 786 . 9 1 1 A 67 67 GLU N N 67 121.549 122.196 -0.647 1
1 787 . 9 1 1 A 68 68 ASP H H 68 8.456 8.194 0.262 1
1 788 . 9 1 1 A 68 68 ASP HA H 68 4.539 4.266 0.273 1
1 791 . 9 1 1 A 68 68 ASP C C 68 176.157 177.252 -1.095 1
1 792 . 9 1 1 A 68 68 ASP CA C 68 55.225 56.805 -1.580 1
1 793 . 9 1 1 A 68 68 ASP CB C 68 39.633 40.556 -0.923 1
1 794 . 9 1 1 A 68 68 ASP N N 68 113.915 120.486 -6.571 1
1 795 . 9 1 1 A 69 69 PHE H H 69 7.661 7.894 -0.233 1
1 796 . 9 1 1 A 69 69 PHE HA H 69 4.386 4.672 -0.286 1
1 803 . 9 1 1 A 69 69 PHE C C 69 173.252 174.860 -1.608 1
1 804 . 9 1 1 A 69 69 PHE CA C 69 57.758 57.329 0.429 1
1 805 . 9 1 1 A 69 69 PHE CB C 69 37.019 38.928 -1.909 1
1 810 . 9 1 1 A 69 69 PHE N N 69 119.727 114.919 4.808 1
1 811 . 9 1 1 A 70 70 ALA H H 70 7.809 8.524 -0.715 1
1 812 . 9 1 1 A 70 70 ALA HA H 70 5.256 4.959 0.297 1
1 816 . 9 1 1 A 70 70 ALA C C 70 175.703 175.039 0.664 1
1 817 . 9 1 1 A 70 70 ALA CA C 70 50.800 51.308 -0.508 1
1 818 . 9 1 1 A 70 70 ALA CB C 70 24.061 23.018 1.043 1
1 819 . 9 1 1 A 70 70 ALA N N 70 121.782 120.740 1.042 1
1 820 . 9 1 1 A 71 71 ARG H H 71 8.792 8.157 0.635 1
1 821 . 9 1 1 A 71 71 ARG HA H 71 4.828 5.078 -0.250 1
1 828 . 9 1 1 A 71 71 ARG C C 71 175.613 175.529 0.084 1
1 829 . 9 1 1 A 71 71 ARG CA C 71 54.220 54.174 0.046 1
1 830 . 9 1 1 A 71 71 ARG CB C 71 33.286 32.532 0.754 1
1 833 . 9 1 1 A 71 71 ARG N N 71 119.543 118.536 1.007 1
1 834 . 9 1 1 A 72 72 PHE H H 72 9.194 8.937 0.257 1
1 835 . 9 1 1 A 72 72 PHE HA H 72 4.604 4.444 0.160 1
1 843 . 9 1 1 A 72 72 PHE C C 72 176.818 175.920 0.898 1
1 844 . 9 1 1 A 72 72 PHE CA C 72 59.896 58.841 1.055 1
1 845 . 9 1 1 A 72 72 PHE CB C 72 39.079 38.722 0.357 1
1 851 . 9 1 1 A 72 72 PHE N N 72 125.006 123.926 1.080 1
1 852 . 9 1 1 A 73 73 ILE H H 73 8.574 8.504 0.070 1
1 853 . 9 1 1 A 73 73 ILE HA H 73 4.390 3.891 0.499 1
1 863 . 9 1 1 A 73 73 ILE C C 73 176.086 176.634 -0.548 1
1 864 . 9 1 1 A 73 73 ILE CA C 73 61.450 64.396 -2.946 1
1 865 . 9 1 1 A 73 73 ILE CB C 73 39.508 38.072 1.436 1
1 869 . 9 1 1 A 73 73 ILE N N 73 120.816 127.792 -6.976 1
1 870 . 9 1 1 A 74 74 SER H H 74 8.329 7.830 0.499 1
1 871 . 9 1 1 A 74 74 SER HA H 74 4.626 4.815 -0.189 1
1 874 . 9 1 1 A 74 74 SER C C 74 174.223 173.042 1.181 1
1 875 . 9 1 1 A 74 74 SER CA C 74 58.169 57.417 0.752 1
1 876 . 9 1 1 A 74 74 SER CB C 74 64.370 65.754 -1.384 1
1 877 . 9 1 1 A 74 74 SER N N 74 118.251 112.778 5.473 1
1 878 . 9 1 1 A 75 75 GLY H H 75 8.372 8.613 -0.241 1
1 879 . 9 1 1 A 75 75 GLY HA2 H 75 4.149 4.165 -0.016 1
1 880 . 9 1 1 A 75 75 GLY HA3 H 75 4.149 4.254 -0.105 1
1 881 . 9 1 1 A 75 75 GLY C C 75 171.907 172.368 -0.461 1
1 882 . 9 1 1 A 75 75 GLY CA C 75 44.682 44.538 0.144 1
1 883 . 9 1 1 A 75 75 GLY N N 75 109.951 111.250 -1.299 1
1 884 . 9 1 1 A 76 76 PRO HA H 76 4.456 4.506 -0.050 1
1 891 . 9 1 1 A 76 76 PRO CA C 76 63.394 62.591 0.803 1
1 892 . 9 1 1 A 76 76 PRO CB C 76 32.180 32.226 -0.046 1
1 1 . 10 1 1 A 6 6 SER HA H 6 4.486 5.066 -0.580 1
1 3 . 10 1 1 A 6 6 SER CA C 6 58.492 57.125 1.367 1
1 4 . 10 1 1 A 6 6 SER CB C 6 64.343 65.713 -1.370 1
1 5 . 10 1 1 A 7 7 GLY H H 7 8.044 8.695 -0.651 1
1 6 . 10 1 1 A 7 7 GLY HA2 H 7 4.458 4.170 0.288 1
1 7 . 10 1 1 A 7 7 GLY HA3 H 7 3.780 4.247 -0.467 1
1 8 . 10 1 1 A 7 7 GLY C C 7 174.131 175.504 -1.373 1
1 9 . 10 1 1 A 7 7 GLY CA C 7 45.458 45.554 -0.096 1
1 10 . 10 1 1 A 7 7 GLY N N 7 116.867 112.489 4.378 1
1 11 . 10 1 1 A 8 8 TRP H H 8 8.111 8.672 -0.561 1
1 12 . 10 1 1 A 8 8 TRP HA H 8 4.626 4.300 0.326 1
1 21 . 10 1 1 A 8 8 TRP C C 8 176.673 176.734 -0.061 1
1 22 . 10 1 1 A 8 8 TRP CA C 8 57.729 59.476 -1.747 1
1 23 . 10 1 1 A 8 8 TRP CB C 8 29.413 30.095 -0.682 1
1 29 . 10 1 1 A 8 8 TRP N N 8 121.258 119.278 1.980 1
1 31 . 10 1 1 A 9 9 GLN H H 9 8.229 8.157 0.072 1
1 32 . 10 1 1 A 9 9 GLN HA H 9 4.133 4.281 -0.148 1
1 39 . 10 1 1 A 9 9 GLN C C 9 176.147 175.728 0.419 1
1 40 . 10 1 1 A 9 9 GLN CA C 9 56.283 57.107 -0.824 1
1 41 . 10 1 1 A 9 9 GLN CB C 9 29.125 28.448 0.677 1
1 43 . 10 1 1 A 9 9 GLN N N 9 122.756 119.265 3.491 1
1 45 . 10 1 1 A 10 10 GLY H H 10 7.500 8.752 -1.252 1
1 46 . 10 1 1 A 10 10 GLY HA2 H 10 3.744 3.788 -0.044 1
1 47 . 10 1 1 A 10 10 GLY HA3 H 10 3.714 3.797 -0.083 1
1 48 . 10 1 1 A 10 10 GLY C C 10 174.092 174.752 -0.660 1
1 49 . 10 1 1 A 10 10 GLY CA C 10 45.335 46.524 -1.189 1
1 50 . 10 1 1 A 10 10 GLY N N 10 108.221 110.006 -1.785 1
1 51 . 10 1 1 A 11 11 LEU H H 11 8.029 8.771 -0.742 1
1 52 . 10 1 1 A 11 11 LEU HA H 11 4.368 3.902 0.466 1
1 62 . 10 1 1 A 11 11 LEU C C 11 177.808 175.697 2.111 1
1 63 . 10 1 1 A 11 11 LEU CA C 11 55.348 55.775 -0.427 1
1 64 . 10 1 1 A 11 11 LEU CB C 11 42.515 40.741 1.774 1
1 68 . 10 1 1 A 11 11 LEU N N 11 121.136 121.840 -0.704 1
1 69 . 10 1 1 A 12 12 SER H H 12 8.388 8.043 0.345 1
1 70 . 10 1 1 A 12 12 SER HA H 12 4.370 4.462 -0.092 1
1 73 . 10 1 1 A 12 12 SER CA C 12 58.716 59.029 -0.313 1
1 74 . 10 1 1 A 12 12 SER CB C 12 63.835 63.784 0.051 1
1 75 . 10 1 1 A 12 12 SER N N 12 116.252 114.557 1.695 1
1 76 . 10 1 1 A 13 13 SER HA H 13 4.481 5.213 -0.732 1
1 79 . 10 1 1 A 13 13 SER C C 13 175.161 172.924 2.237 1
1 80 . 10 1 1 A 13 13 SER CA C 13 58.442 57.421 1.021 1
1 81 . 10 1 1 A 13 13 SER CB C 13 63.798 65.294 -1.496 1
1 82 . 10 1 1 A 14 14 LYS H H 14 8.372 8.595 -0.223 1
1 83 . 10 1 1 A 14 14 LYS HA H 14 4.226 4.351 -0.125 1
1 92 . 10 1 1 A 14 14 LYS C C 14 177.249 177.416 -0.167 1
1 93 . 10 1 1 A 14 14 LYS CA C 14 57.303 56.773 0.530 1
1 94 . 10 1 1 A 14 14 LYS CB C 14 32.694 32.877 -0.183 1
1 98 . 10 1 1 A 14 14 LYS N N 14 123.245 126.013 -2.768 1
1 99 . 10 1 1 A 15 15 GLY H H 15 8.213 8.726 -0.513 1
1 100 . 10 1 1 A 15 15 GLY HA2 H 15 3.924 3.944 -0.020 1
1 101 . 10 1 1 A 15 15 GLY HA3 H 15 3.924 3.947 -0.023 1
1 102 . 10 1 1 A 15 15 GLY C C 15 173.863 174.588 -0.725 1
1 103 . 10 1 1 A 15 15 GLY CA C 15 45.599 45.514 0.085 1
1 104 . 10 1 1 A 15 15 GLY N N 15 107.368 109.208 -1.840 1
1 105 . 10 1 1 A 16 16 ASP H H 16 8.091 8.857 -0.766 1
1 106 . 10 1 1 A 16 16 ASP HA H 16 4.711 4.125 0.586 1
1 109 . 10 1 1 A 16 16 ASP C C 16 176.074 175.342 0.732 1
1 110 . 10 1 1 A 16 16 ASP CA C 16 54.167 54.867 -0.700 1
1 111 . 10 1 1 A 16 16 ASP CB C 16 41.155 39.332 1.823 1
1 112 . 10 1 1 A 16 16 ASP N N 16 119.368 117.968 1.400 1
1 113 . 10 1 1 A 17 17 LEU H H 17 7.757 7.967 -0.210 1
1 114 . 10 1 1 A 17 17 LEU HA H 17 4.641 4.756 -0.115 1
1 124 . 10 1 1 A 17 17 LEU C C 17 174.627 174.546 0.081 1
1 125 . 10 1 1 A 17 17 LEU CA C 17 53.286 52.467 0.819 1
1 126 . 10 1 1 A 17 17 LEU CB C 17 41.003 41.941 -0.938 1
1 130 . 10 1 1 A 17 17 LEU N N 17 122.770 119.839 2.931 1
1 131 . 10 1 1 A 18 18 PRO HA H 18 4.619 4.873 -0.254 1
1 138 . 10 1 1 A 18 18 PRO C C 18 175.014 176.130 -1.116 1
1 139 . 10 1 1 A 18 18 PRO CA C 18 62.756 62.750 0.006 1
1 140 . 10 1 1 A 18 18 PRO CB C 18 32.631 32.481 0.150 1
1 143 . 10 1 1 A 19 19 GLN H H 19 8.295 8.376 -0.081 1
1 144 . 10 1 1 A 19 19 GLN HA H 19 5.396 5.058 0.338 1
1 151 . 10 1 1 A 19 19 GLN C C 19 176.012 174.924 1.088 1
1 152 . 10 1 1 A 19 19 GLN CA C 19 54.094 54.164 -0.070 1
1 153 . 10 1 1 A 19 19 GLN CB C 19 32.478 32.124 0.354 1
1 155 . 10 1 1 A 19 19 GLN N N 19 117.612 120.943 -3.331 1
1 157 . 10 1 1 A 20 20 VAL H H 20 9.005 8.382 0.623 1
1 158 . 10 1 1 A 20 20 VAL HA H 20 5.133 4.726 0.407 1
1 166 . 10 1 1 A 20 20 VAL C C 20 173.875 173.802 0.073 1
1 167 . 10 1 1 A 20 20 VAL CA C 20 57.486 59.086 -1.600 1
1 168 . 10 1 1 A 20 20 VAL CB C 20 35.076 34.967 0.109 1
1 171 . 10 1 1 A 20 20 VAL N N 20 112.092 118.017 -5.925 1
1 172 . 10 1 1 A 21 21 GLU H H 21 8.901 8.339 0.562 1
1 173 . 10 1 1 A 21 21 GLU HA H 21 5.199 5.013 0.186 1
1 178 . 10 1 1 A 21 21 GLU C C 21 175.780 175.683 0.097 1
1 179 . 10 1 1 A 21 21 GLU CA C 21 53.268 55.277 -2.009 1
1 180 . 10 1 1 A 21 21 GLU CB C 21 32.997 31.508 1.489 1
1 182 . 10 1 1 A 21 21 GLU N N 21 119.970 123.691 -3.721 1
1 183 . 10 1 1 A 22 22 ILE H H 22 8.656 9.193 -0.537 1
1 184 . 10 1 1 A 22 22 ILE HA H 22 4.742 4.304 0.438 1
1 194 . 10 1 1 A 22 22 ILE C C 22 179.107 178.115 0.992 1
1 195 . 10 1 1 A 22 22 ILE CA C 22 58.064 61.726 -3.662 1
1 196 . 10 1 1 A 22 22 ILE CB C 22 34.481 36.876 -2.395 1
1 200 . 10 1 1 A 22 22 ILE N N 22 125.654 128.013 -2.359 1
1 201 . 10 1 1 A 23 23 THR H H 23 9.206 8.566 0.640 1
1 202 . 10 1 1 A 23 23 THR HA H 23 4.230 4.162 0.068 1
1 207 . 10 1 1 A 23 23 THR C C 23 174.481 174.447 0.034 1
1 208 . 10 1 1 A 23 23 THR CA C 23 62.787 64.266 -1.479 1
1 209 . 10 1 1 A 23 23 THR CB C 23 68.779 68.967 -0.188 1
1 211 . 10 1 1 A 23 23 THR N N 23 122.259 119.736 2.523 1
1 212 . 10 1 1 A 24 24 LYS H H 24 7.443 7.599 -0.156 1
1 213 . 10 1 1 A 24 24 LYS HA H 24 4.332 4.832 -0.500 1
1 222 . 10 1 1 A 24 24 LYS C C 24 172.169 175.344 -3.175 1
1 223 . 10 1 1 A 24 24 LYS CA C 24 55.154 54.618 0.536 1
1 224 . 10 1 1 A 24 24 LYS CB C 24 35.137 35.594 -0.457 1
1 228 . 10 1 1 A 24 24 LYS N N 24 121.874 118.093 3.781 1
1 229 . 10 1 1 A 25 25 ALA H H 25 8.259 8.558 -0.299 1
1 230 . 10 1 1 A 25 25 ALA HA H 25 3.914 4.342 -0.428 1
1 234 . 10 1 1 A 25 25 ALA C C 25 176.411 176.622 -0.211 1
1 235 . 10 1 1 A 25 25 ALA CA C 25 53.409 52.793 0.616 1
1 236 . 10 1 1 A 25 25 ALA CB C 25 19.113 18.996 0.117 1
1 237 . 10 1 1 A 25 25 ALA N N 25 121.708 124.463 -2.755 1
1 238 . 10 1 1 A 26 26 PHE H H 26 8.058 8.597 -0.539 1
1 239 . 10 1 1 A 26 26 PHE HA H 26 4.742 4.944 -0.202 1
1 247 . 10 1 1 A 26 26 PHE C C 26 172.769 174.310 -1.541 1
1 248 . 10 1 1 A 26 26 PHE CA C 26 56.354 55.605 0.749 1
1 249 . 10 1 1 A 26 26 PHE CB C 26 42.608 39.945 2.663 1
1 255 . 10 1 1 A 26 26 PHE N N 26 121.151 123.188 -2.037 1
1 256 . 10 1 1 A 27 27 PHE H H 27 7.752 8.102 -0.350 1
1 257 . 10 1 1 A 27 27 PHE HA H 27 4.469 4.297 0.172 1
1 265 . 10 1 1 A 27 27 PHE C C 27 173.594 175.504 -1.910 1
1 266 . 10 1 1 A 27 27 PHE CA C 27 56.088 59.041 -2.953 1
1 267 . 10 1 1 A 27 27 PHE CB C 27 39.425 39.190 0.235 1
1 273 . 10 1 1 A 27 27 PHE N N 27 125.818 126.155 -0.337 1
1 274 . 10 1 1 A 28 28 ALA H H 28 8.045 8.307 -0.262 1
1 275 . 10 1 1 A 28 28 ALA HA H 28 4.002 4.071 -0.069 1
1 279 . 10 1 1 A 28 28 ALA C C 28 178.303 178.528 -0.225 1
1 280 . 10 1 1 A 28 28 ALA CA C 28 52.898 52.710 0.188 1
1 281 . 10 1 1 A 28 28 ALA CB C 28 20.853 18.938 1.915 1
1 282 . 10 1 1 A 28 28 ALA N N 28 126.105 126.875 -0.770 1
1 283 . 10 1 1 A 29 29 LYS H H 29 9.282 9.620 -0.338 1
1 284 . 10 1 1 A 29 29 LYS HA H 29 4.524 4.616 -0.092 1
1 293 . 10 1 1 A 29 29 LYS C C 29 176.347 176.260 0.087 1
1 294 . 10 1 1 A 29 29 LYS CA C 29 56.187 56.775 -0.588 1
1 295 . 10 1 1 A 29 29 LYS CB C 29 34.585 34.225 0.360 1
1 299 . 10 1 1 A 29 29 LYS N N 29 120.760 119.688 1.072 1
1 300 . 10 1 1 A 30 30 GLN H H 30 7.738 7.810 -0.072 1
1 301 . 10 1 1 A 30 30 GLN HA H 30 4.657 4.616 0.041 1
1 308 . 10 1 1 A 30 30 GLN C C 30 177.059 176.253 0.806 1
1 309 . 10 1 1 A 30 30 GLN CA C 30 53.885 54.541 -0.656 1
1 310 . 10 1 1 A 30 30 GLN CB C 30 31.349 30.417 0.932 1
1 312 . 10 1 1 A 30 30 GLN N N 30 116.957 119.070 -2.113 1
1 314 . 10 1 1 A 31 31 ALA H H 31 8.719 8.342 0.377 1
1 315 . 10 1 1 A 31 31 ALA HA H 31 4.189 4.318 -0.129 1
1 319 . 10 1 1 A 31 31 ALA C C 31 177.686 177.977 -0.291 1
1 320 . 10 1 1 A 31 31 ALA CA C 31 54.960 52.833 2.127 1
1 321 . 10 1 1 A 31 31 ALA CB C 31 18.859 19.567 -0.708 1
1 322 . 10 1 1 A 31 31 ALA N N 31 122.985 123.389 -0.404 1
1 323 . 10 1 1 A 32 32 ASP H H 32 8.436 8.354 0.082 1
1 324 . 10 1 1 A 32 32 ASP HA H 32 4.904 4.802 0.102 1
1 327 . 10 1 1 A 32 32 ASP C C 32 176.845 176.233 0.612 1
1 328 . 10 1 1 A 32 32 ASP CA C 32 54.044 53.772 0.272 1
1 329 . 10 1 1 A 32 32 ASP CB C 32 40.166 40.685 -0.519 1
1 330 . 10 1 1 A 32 32 ASP N N 32 113.224 116.245 -3.021 1
1 331 . 10 1 1 A 33 33 GLU H H 33 7.632 7.982 -0.350 1
1 332 . 10 1 1 A 33 33 GLU HA H 33 5.578 5.022 0.556 1
1 337 . 10 1 1 A 33 33 GLU C C 33 175.518 175.426 0.092 1
1 338 . 10 1 1 A 33 33 GLU CA C 33 55.437 55.464 -0.027 1
1 339 . 10 1 1 A 33 33 GLU CB C 33 33.079 31.419 1.660 1
1 341 . 10 1 1 A 33 33 GLU N N 33 119.902 120.192 -0.290 1
1 342 . 10 1 1 A 34 34 VAL H H 34 8.311 9.098 -0.787 1
1 343 . 10 1 1 A 34 34 VAL HA H 34 4.791 4.880 -0.089 1
1 351 . 10 1 1 A 34 34 VAL C C 34 171.861 174.400 -2.539 1
1 352 . 10 1 1 A 34 34 VAL CA C 34 58.152 60.139 -1.987 1
1 353 . 10 1 1 A 34 34 VAL CB C 34 35.881 35.888 -0.007 1
1 356 . 10 1 1 A 34 34 VAL N N 34 119.872 120.870 -0.998 1
1 357 . 10 1 1 A 35 35 THR H H 35 8.047 8.675 -0.628 1
1 358 . 10 1 1 A 35 35 THR HA H 35 4.559 4.838 -0.279 1
1 363 . 10 1 1 A 35 35 THR C C 35 174.643 174.003 0.640 1
1 364 . 10 1 1 A 35 35 THR CA C 35 62.859 62.875 -0.016 1
1 365 . 10 1 1 A 35 35 THR CB C 35 69.626 69.396 0.230 1
1 367 . 10 1 1 A 35 35 THR N N 35 123.767 122.839 0.928 1
1 368 . 10 1 1 A 36 36 LEU H H 36 9.001 8.597 0.404 1
1 369 . 10 1 1 A 36 36 LEU HA H 36 4.571 5.064 -0.493 1
1 379 . 10 1 1 A 36 36 LEU C C 36 176.087 175.899 0.188 1
1 380 . 10 1 1 A 36 36 LEU CA C 36 53.374 53.481 -0.107 1
1 381 . 10 1 1 A 36 36 LEU CB C 36 47.954 46.035 1.919 1
1 385 . 10 1 1 A 36 36 LEU N N 36 127.439 126.000 1.439 1
1 386 . 10 1 1 A 37 37 GLN H H 37 8.889 8.933 -0.044 1
1 387 . 10 1 1 A 37 37 GLN HA H 37 4.298 4.911 -0.613 1
1 394 . 10 1 1 A 37 37 GLN C C 37 175.508 175.016 0.492 1
1 395 . 10 1 1 A 37 37 GLN CA C 37 53.621 53.701 -0.080 1
1 396 . 10 1 1 A 37 37 GLN CB C 37 30.567 32.711 -2.144 1
1 398 . 10 1 1 A 37 37 GLN N N 37 121.687 119.448 2.239 1
1 400 . 10 1 1 A 38 38 GLN H H 38 8.517 8.544 -0.027 1
1 401 . 10 1 1 A 38 38 GLN HA H 38 3.378 3.897 -0.519 1
1 408 . 10 1 1 A 38 38 GLN C C 38 176.738 176.556 0.182 1
1 409 . 10 1 1 A 38 38 GLN CA C 38 58.584 57.162 1.422 1
1 410 . 10 1 1 A 38 38 GLN CB C 38 28.151 28.574 -0.423 1
1 412 . 10 1 1 A 38 38 GLN N N 38 120.664 122.031 -1.367 1
1 414 . 10 1 1 A 39 39 ALA H H 39 9.200 9.723 -0.523 1
1 415 . 10 1 1 A 39 39 ALA HA H 39 3.948 3.856 0.092 1
1 419 . 10 1 1 A 39 39 ALA C C 39 177.251 175.691 1.560 1
1 420 . 10 1 1 A 39 39 ALA CA C 39 54.731 53.115 1.616 1
1 421 . 10 1 1 A 39 39 ALA CB C 39 17.134 17.386 -0.252 1
1 422 . 10 1 1 A 39 39 ALA N N 39 123.253 123.670 -0.417 1
1 423 . 10 1 1 A 40 40 ASP H H 40 8.025 7.301 0.724 1
1 424 . 10 1 1 A 40 40 ASP HA H 40 4.498 5.149 -0.651 1
1 427 . 10 1 1 A 40 40 ASP C C 40 175.010 175.094 -0.084 1
1 428 . 10 1 1 A 40 40 ASP CA C 40 56.407 52.936 3.471 1
1 429 . 10 1 1 A 40 40 ASP CB C 40 41.713 43.077 -1.364 1
1 430 . 10 1 1 A 40 40 ASP N N 40 121.075 116.048 5.027 1
1 431 . 10 1 1 A 41 41 VAL H H 41 7.518 8.516 -0.998 1
1 432 . 10 1 1 A 41 41 VAL HA H 41 5.060 4.563 0.497 1
1 440 . 10 1 1 A 41 41 VAL C C 41 176.546 175.150 1.396 1
1 441 . 10 1 1 A 41 41 VAL CA C 41 61.818 61.446 0.372 1
1 442 . 10 1 1 A 41 41 VAL CB C 41 32.997 33.261 -0.264 1
1 445 . 10 1 1 A 41 41 VAL N N 41 119.767 121.596 -1.829 1
1 446 . 10 1 1 A 42 42 VAL H H 42 9.086 8.329 0.757 1
1 447 . 10 1 1 A 42 42 VAL HA H 42 4.528 4.440 0.088 1
1 455 . 10 1 1 A 42 42 VAL C C 42 173.762 174.533 -0.771 1
1 456 . 10 1 1 A 42 42 VAL CA C 42 60.363 60.786 -0.423 1
1 457 . 10 1 1 A 42 42 VAL CB C 42 35.736 35.227 0.509 1
1 460 . 10 1 1 A 42 42 VAL N N 42 129.212 126.964 2.248 1
1 461 . 10 1 1 A 43 43 LEU H H 43 8.855 8.657 0.198 1
1 462 . 10 1 1 A 43 43 LEU HA H 43 4.651 4.737 -0.086 1
1 472 . 10 1 1 A 43 43 LEU C C 43 175.853 175.571 0.282 1
1 473 . 10 1 1 A 43 43 LEU CA C 43 54.132 54.087 0.045 1
1 474 . 10 1 1 A 43 43 LEU CB C 43 44.039 43.116 0.923 1
1 478 . 10 1 1 A 43 43 LEU N N 43 128.624 130.139 -1.515 1
1 479 . 10 1 1 A 44 44 VAL H H 44 8.835 9.071 -0.236 1
1 480 . 10 1 1 A 44 44 VAL HA H 44 3.837 4.478 -0.641 1
1 488 . 10 1 1 A 44 44 VAL C C 44 174.445 175.717 -1.272 1
1 489 . 10 1 1 A 44 44 VAL CA C 44 64.603 63.691 0.912 1
1 490 . 10 1 1 A 44 44 VAL CB C 44 32.325 32.168 0.157 1
1 493 . 10 1 1 A 44 44 VAL N N 44 126.525 127.842 -1.317 1
1 494 . 10 1 1 A 45 45 LEU H H 45 9.166 10.053 -0.887 1
1 495 . 10 1 1 A 45 45 LEU HA H 45 4.488 4.554 -0.066 1
1 505 . 10 1 1 A 45 45 LEU C C 45 177.820 176.445 1.375 1
1 506 . 10 1 1 A 45 45 LEU CA C 45 56.137 55.680 0.457 1
1 507 . 10 1 1 A 45 45 LEU CB C 45 43.957 43.632 0.325 1
1 511 . 10 1 1 A 45 45 LEU N N 45 127.543 126.837 0.706 1
1 512 . 10 1 1 A 46 46 GLN H H 46 8.074 7.520 0.554 1
1 513 . 10 1 1 A 46 46 GLN HA H 46 4.643 4.749 -0.106 1
1 520 . 10 1 1 A 46 46 GLN C C 46 173.225 174.625 -1.400 1
1 521 . 10 1 1 A 46 46 GLN CA C 46 55.277 54.481 0.796 1
1 522 . 10 1 1 A 46 46 GLN CB C 46 33.285 31.001 2.284 1
1 524 . 10 1 1 A 46 46 GLN N N 46 115.961 116.981 -1.020 1
1 526 . 10 1 1 A 47 47 GLN H H 47 8.683 8.971 -0.288 1
1 527 . 10 1 1 A 47 47 GLN HA H 47 5.194 4.861 0.333 1
1 534 . 10 1 1 A 47 47 GLN C C 47 174.366 174.793 -0.427 1
1 535 . 10 1 1 A 47 47 GLN CA C 47 55.243 55.761 -0.518 1
1 536 . 10 1 1 A 47 47 GLN CB C 47 31.473 29.883 1.590 1
1 538 . 10 1 1 A 47 47 GLN N N 47 121.742 124.395 -2.653 1
1 540 . 10 1 1 A 48 48 GLU H H 48 9.201 9.161 0.040 1
1 541 . 10 1 1 A 48 48 GLU HA H 48 4.669 5.057 -0.388 1
1 546 . 10 1 1 A 48 48 GLU C C 48 175.622 175.250 0.372 1
1 547 . 10 1 1 A 48 48 GLU CA C 48 56.134 54.836 1.298 1
1 548 . 10 1 1 A 48 48 GLU CB C 48 33.098 32.836 0.262 1
1 550 . 10 1 1 A 48 48 GLU N N 48 124.529 124.782 -0.253 1
1 551 . 10 1 1 A 49 49 ASP H H 49 9.177 8.925 0.252 1
1 552 . 10 1 1 A 49 49 ASP HA H 49 4.424 4.255 0.169 1
1 555 . 10 1 1 A 49 49 ASP C C 49 175.771 177.050 -1.279 1
1 556 . 10 1 1 A 49 49 ASP CA C 49 56.001 56.339 -0.338 1
1 557 . 10 1 1 A 49 49 ASP CB C 49 40.478 40.476 0.002 1
1 558 . 10 1 1 A 49 49 ASP N N 49 125.649 127.322 -1.673 1
1 559 . 10 1 1 A 50 50 GLY H H 50 8.750 8.789 -0.039 1
1 560 . 10 1 1 A 50 50 GLY HA2 H 50 4.266 3.989 0.277 1
1 561 . 10 1 1 A 50 50 GLY HA3 H 50 3.753 4.092 -0.339 1
1 562 . 10 1 1 A 50 50 GLY C C 50 174.455 173.728 0.727 1
1 563 . 10 1 1 A 50 50 GLY CA C 50 45.969 45.365 0.604 1
1 564 . 10 1 1 A 50 50 GLY N N 50 108.057 111.188 -3.131 1
1 565 . 10 1 1 A 51 51 TRP H H 51 8.427 8.620 -0.193 1
1 566 . 10 1 1 A 51 51 TRP HA H 51 4.877 5.283 -0.406 1
1 575 . 10 1 1 A 51 51 TRP C C 51 173.525 175.621 -2.096 1
1 576 . 10 1 1 A 51 51 TRP CA C 51 57.270 55.563 1.707 1
1 577 . 10 1 1 A 51 51 TRP CB C 51 32.690 33.745 -1.055 1
1 583 . 10 1 1 A 51 51 TRP N N 51 122.784 121.153 1.631 1
1 585 . 10 1 1 A 52 52 LEU H H 52 9.368 9.190 0.178 1
1 586 . 10 1 1 A 52 52 LEU HA H 52 4.987 4.939 0.048 1
1 596 . 10 1 1 A 52 52 LEU C C 52 173.005 174.299 -1.294 1
1 597 . 10 1 1 A 52 52 LEU CA C 52 52.634 52.946 -0.312 1
1 598 . 10 1 1 A 52 52 LEU CB C 52 43.833 43.242 0.591 1
1 602 . 10 1 1 A 52 52 LEU N N 52 121.750 123.492 -1.742 1
1 603 . 10 1 1 A 53 53 TYR H H 53 8.267 9.437 -1.170 1
1 604 . 10 1 1 A 53 53 TYR HA H 53 4.513 4.542 -0.029 1
1 611 . 10 1 1 A 53 53 TYR C C 53 176.111 175.106 1.005 1
1 612 . 10 1 1 A 53 53 TYR CA C 53 55.283 57.465 -2.182 1
1 613 . 10 1 1 A 53 53 TYR CB C 53 39.251 38.971 0.280 1
1 618 . 10 1 1 A 53 53 TYR N N 53 122.457 126.364 -3.907 1
1 619 . 10 1 1 A 54 54 GLY H H 54 8.238 7.767 0.471 1
1 620 . 10 1 1 A 54 54 GLY HA2 H 54 4.706 4.149 0.557 1
1 621 . 10 1 1 A 54 54 GLY HA3 H 54 3.802 4.384 -0.582 1
1 622 . 10 1 1 A 54 54 GLY C C 54 168.928 171.496 -2.568 1
1 623 . 10 1 1 A 54 54 GLY CA C 54 45.792 45.833 -0.041 1
1 624 . 10 1 1 A 54 54 GLY N N 54 112.598 111.971 0.627 1
1 625 . 10 1 1 A 55 55 GLU H H 55 8.400 9.159 -0.759 1
1 626 . 10 1 1 A 55 55 GLU HA H 55 4.718 5.188 -0.470 1
1 631 . 10 1 1 A 55 55 GLU C C 55 175.540 175.205 0.335 1
1 632 . 10 1 1 A 55 55 GLU CA C 55 53.268 54.782 -1.514 1
1 633 . 10 1 1 A 55 55 GLU CB C 55 34.264 32.346 1.918 1
1 635 . 10 1 1 A 55 55 GLU N N 55 118.345 120.706 -2.361 1
1 636 . 10 1 1 A 56 56 ARG H H 56 9.654 9.039 0.615 1
1 637 . 10 1 1 A 56 56 ARG HA H 56 4.309 4.350 -0.041 1
1 645 . 10 1 1 A 56 56 ARG C C 56 176.838 176.621 0.217 1
1 646 . 10 1 1 A 56 56 ARG CA C 56 57.492 56.269 1.223 1
1 647 . 10 1 1 A 56 56 ARG CB C 56 30.854 29.944 0.910 1
1 650 . 10 1 1 A 56 56 ARG N N 56 129.571 129.428 0.143 1
1 652 . 10 1 1 A 57 57 LEU H H 57 8.195 8.062 0.133 1
1 653 . 10 1 1 A 57 57 LEU HA H 57 4.021 4.240 -0.219 1
1 663 . 10 1 1 A 57 57 LEU C C 57 179.671 178.208 1.463 1
1 664 . 10 1 1 A 57 57 LEU CA C 57 58.338 57.952 0.386 1
1 665 . 10 1 1 A 57 57 LEU CB C 57 41.939 41.119 0.820 1
1 669 . 10 1 1 A 57 57 LEU N N 57 129.973 126.653 3.320 1
1 670 . 10 1 1 A 58 58 ARG H H 58 8.494 8.149 0.345 1
1 671 . 10 1 1 A 58 58 ARG HA H 58 4.112 3.985 0.127 1
1 678 . 10 1 1 A 58 58 ARG C C 58 176.402 177.123 -0.721 1
1 679 . 10 1 1 A 58 58 ARG CA C 58 59.139 59.616 -0.477 1
1 680 . 10 1 1 A 58 58 ARG CB C 58 30.106 30.109 -0.003 1
1 683 . 10 1 1 A 58 58 ARG N N 58 115.005 120.557 -5.552 1
1 684 . 10 1 1 A 59 59 ASP H H 59 7.392 7.688 -0.296 1
1 685 . 10 1 1 A 59 59 ASP HA H 59 4.803 4.837 -0.034 1
1 688 . 10 1 1 A 59 59 ASP C C 59 176.801 175.530 1.271 1
1 689 . 10 1 1 A 59 59 ASP CA C 59 52.827 53.496 -0.669 1
1 690 . 10 1 1 A 59 59 ASP CB C 59 42.144 41.163 0.981 1
1 691 . 10 1 1 A 59 59 ASP N N 59 113.739 116.448 -2.709 1
1 692 . 10 1 1 A 60 60 GLY H H 60 8.435 8.179 0.256 1
1 693 . 10 1 1 A 60 60 GLY HA2 H 60 4.125 3.879 0.246 1
1 694 . 10 1 1 A 60 60 GLY HA3 H 60 3.868 3.892 -0.024 1
1 695 . 10 1 1 A 60 60 GLY C C 60 174.707 174.829 -0.122 1
1 696 . 10 1 1 A 60 60 GLY CA C 60 45.917 46.834 -0.917 1
1 697 . 10 1 1 A 60 60 GLY N N 60 110.642 109.383 1.259 1
1 698 . 10 1 1 A 61 61 GLU H H 61 7.527 7.608 -0.081 1
1 699 . 10 1 1 A 61 61 GLU HA H 61 4.163 4.397 -0.234 1
1 704 . 10 1 1 A 61 61 GLU C C 61 176.225 175.649 0.576 1
1 705 . 10 1 1 A 61 61 GLU CA C 61 58.222 56.599 1.623 1
1 706 . 10 1 1 A 61 61 GLU CB C 61 29.825 30.341 -0.516 1
1 708 . 10 1 1 A 61 61 GLU N N 61 123.061 119.649 3.412 1
1 709 . 10 1 1 A 62 62 THR H H 62 8.451 8.756 -0.305 1
1 710 . 10 1 1 A 62 62 THR HA H 62 5.666 5.129 0.537 1
1 715 . 10 1 1 A 62 62 THR C C 62 174.469 173.868 0.601 1
1 716 . 10 1 1 A 62 62 THR CA C 62 59.826 60.392 -0.566 1
1 717 . 10 1 1 A 62 62 THR CB C 62 72.751 69.360 3.391 1
1 719 . 10 1 1 A 62 62 THR N N 62 117.411 118.359 -0.948 1
1 720 . 10 1 1 A 63 63 GLY H H 63 7.931 8.256 -0.325 1
1 721 . 10 1 1 A 63 63 GLY HA2 H 63 4.124 4.456 -0.332 1
1 722 . 10 1 1 A 63 63 GLY HA3 H 63 3.936 4.540 -0.604 1
1 723 . 10 1 1 A 63 63 GLY C C 63 170.896 171.989 -1.093 1
1 724 . 10 1 1 A 63 63 GLY CA C 63 45.652 45.411 0.241 1
1 725 . 10 1 1 A 63 63 GLY N N 63 108.439 112.358 -3.919 1
1 726 . 10 1 1 A 64 64 TRP H H 64 9.071 9.122 -0.051 1
1 727 . 10 1 1 A 64 64 TRP HA H 64 6.061 5.622 0.439 1
1 736 . 10 1 1 A 64 64 TRP C C 64 177.395 176.543 0.852 1
1 737 . 10 1 1 A 64 64 TRP CA C 64 57.259 57.047 0.212 1
1 738 . 10 1 1 A 64 64 TRP CB C 64 31.882 30.908 0.974 1
1 744 . 10 1 1 A 64 64 TRP N N 64 119.762 120.669 -0.907 1
1 746 . 10 1 1 A 65 65 PHE H H 65 9.657 9.336 0.321 1
1 747 . 10 1 1 A 65 65 PHE HA H 65 4.823 5.158 -0.335 1
1 755 . 10 1 1 A 65 65 PHE C C 65 170.814 172.862 -2.048 1
1 756 . 10 1 1 A 65 65 PHE CA C 65 55.578 54.890 0.688 1
1 757 . 10 1 1 A 65 65 PHE CB C 65 38.245 42.028 -3.783 1
1 763 . 10 1 1 A 65 65 PHE N N 65 116.076 119.789 -3.713 1
1 764 . 10 1 1 A 66 66 PRO HA H 66 3.546 4.340 -0.794 1
1 771 . 10 1 1 A 66 66 PRO C C 66 177.963 177.936 0.027 1
1 772 . 10 1 1 A 66 66 PRO CA C 66 62.065 62.420 -0.355 1
1 773 . 10 1 1 A 66 66 PRO CB C 66 31.116 32.078 -0.962 1
1 776 . 10 1 1 A 67 67 GLU H H 67 8.081 8.601 -0.520 1
1 777 . 10 1 1 A 67 67 GLU HA H 67 3.651 4.172 -0.521 1
1 782 . 10 1 1 A 67 67 GLU C C 67 177.298 178.641 -1.343 1
1 783 . 10 1 1 A 67 67 GLU CA C 67 58.746 59.336 -0.590 1
1 784 . 10 1 1 A 67 67 GLU CB C 67 29.820 29.060 0.760 1
1 786 . 10 1 1 A 67 67 GLU N N 67 121.549 122.610 -1.061 1
1 787 . 10 1 1 A 68 68 ASP H H 68 8.456 8.107 0.349 1
1 788 . 10 1 1 A 68 68 ASP HA H 68 4.539 4.347 0.192 1
1 791 . 10 1 1 A 68 68 ASP C C 68 176.157 177.447 -1.290 1
1 792 . 10 1 1 A 68 68 ASP CA C 68 55.225 56.422 -1.197 1
1 793 . 10 1 1 A 68 68 ASP CB C 68 39.633 40.924 -1.291 1
1 794 . 10 1 1 A 68 68 ASP N N 68 113.915 120.644 -6.729 1
1 795 . 10 1 1 A 69 69 PHE H H 69 7.661 7.795 -0.134 1
1 796 . 10 1 1 A 69 69 PHE HA H 69 4.386 4.653 -0.267 1
1 803 . 10 1 1 A 69 69 PHE C C 69 173.252 174.454 -1.202 1
1 804 . 10 1 1 A 69 69 PHE CA C 69 57.758 57.157 0.601 1
1 805 . 10 1 1 A 69 69 PHE CB C 69 37.019 38.112 -1.093 1
1 810 . 10 1 1 A 69 69 PHE N N 69 119.727 115.869 3.858 1
1 811 . 10 1 1 A 70 70 ALA H H 70 7.809 7.755 0.054 1
1 812 . 10 1 1 A 70 70 ALA HA H 70 5.256 4.930 0.326 1
1 816 . 10 1 1 A 70 70 ALA C C 70 175.703 175.003 0.700 1
1 817 . 10 1 1 A 70 70 ALA CA C 70 50.800 51.454 -0.654 1
1 818 . 10 1 1 A 70 70 ALA CB C 70 24.061 22.621 1.440 1
1 819 . 10 1 1 A 70 70 ALA N N 70 121.782 120.749 1.033 1
1 820 . 10 1 1 A 71 71 ARG H H 71 8.792 8.101 0.691 1
1 821 . 10 1 1 A 71 71 ARG HA H 71 4.828 5.015 -0.187 1
1 828 . 10 1 1 A 71 71 ARG C C 71 175.613 175.571 0.042 1
1 829 . 10 1 1 A 71 71 ARG CA C 71 54.220 54.438 -0.218 1
1 830 . 10 1 1 A 71 71 ARG CB C 71 33.286 32.304 0.982 1
1 833 . 10 1 1 A 71 71 ARG N N 71 119.543 119.194 0.349 1
1 834 . 10 1 1 A 72 72 PHE H H 72 9.194 8.905 0.289 1
1 835 . 10 1 1 A 72 72 PHE HA H 72 4.604 4.401 0.203 1
1 843 . 10 1 1 A 72 72 PHE C C 72 176.818 176.000 0.818 1
1 844 . 10 1 1 A 72 72 PHE CA C 72 59.896 59.143 0.753 1
1 845 . 10 1 1 A 72 72 PHE CB C 72 39.079 38.826 0.253 1
1 851 . 10 1 1 A 72 72 PHE N N 72 125.006 124.005 1.001 1
1 852 . 10 1 1 A 73 73 ILE H H 73 8.574 8.529 0.045 1
1 853 . 10 1 1 A 73 73 ILE HA H 73 4.390 3.889 0.501 1
1 863 . 10 1 1 A 73 73 ILE C C 73 176.086 176.627 -0.541 1
1 864 . 10 1 1 A 73 73 ILE CA C 73 61.450 64.559 -3.109 1
1 865 . 10 1 1 A 73 73 ILE CB C 73 39.508 38.167 1.341 1
1 869 . 10 1 1 A 73 73 ILE N N 73 120.816 127.883 -7.067 1
1 870 . 10 1 1 A 74 74 SER H H 74 8.329 8.090 0.239 1
1 871 . 10 1 1 A 74 74 SER HA H 74 4.626 4.959 -0.333 1
1 874 . 10 1 1 A 74 74 SER C C 74 174.223 173.113 1.110 1
1 875 . 10 1 1 A 74 74 SER CA C 74 58.169 57.437 0.732 1
1 876 . 10 1 1 A 74 74 SER CB C 74 64.370 64.560 -0.190 1
1 877 . 10 1 1 A 74 74 SER N N 74 118.251 113.663 4.588 1
1 878 . 10 1 1 A 75 75 GLY H H 75 8.372 8.884 -0.512 1
1 879 . 10 1 1 A 75 75 GLY HA2 H 75 4.149 4.209 -0.060 1
1 880 . 10 1 1 A 75 75 GLY HA3 H 75 4.149 4.235 -0.086 1
1 881 . 10 1 1 A 75 75 GLY C C 75 171.907 172.366 -0.459 1
1 882 . 10 1 1 A 75 75 GLY CA C 75 44.682 44.893 -0.211 1
1 883 . 10 1 1 A 75 75 GLY N N 75 109.951 112.878 -2.927 1
1 884 . 10 1 1 A 76 76 PRO HA H 76 4.456 4.716 -0.260 1
1 891 . 10 1 1 A 76 76 PRO CA C 76 63.394 62.656 0.738 1
1 892 . 10 1 1 A 76 76 PRO CB C 76 32.180 31.597 0.583 1
1 1 . 11 1 1 A 6 6 SER HA H 6 4.486 4.356 0.130 1
1 3 . 11 1 1 A 6 6 SER CA C 6 58.492 60.271 -1.779 1
1 4 . 11 1 1 A 6 6 SER CB C 6 64.343 62.466 1.877 1
1 5 . 11 1 1 A 7 7 GLY H H 7 8.044 8.434 -0.390 1
1 6 . 11 1 1 A 7 7 GLY HA2 H 7 4.458 4.120 0.338 1
1 7 . 11 1 1 A 7 7 GLY HA3 H 7 3.780 4.186 -0.406 1
1 8 . 11 1 1 A 7 7 GLY C C 7 174.131 173.506 0.625 1
1 9 . 11 1 1 A 7 7 GLY CA C 7 45.458 45.929 -0.471 1
1 10 . 11 1 1 A 7 7 GLY N N 7 116.867 109.551 7.316 1
1 11 . 11 1 1 A 8 8 TRP H H 8 8.111 8.806 -0.695 1
1 12 . 11 1 1 A 8 8 TRP HA H 8 4.626 4.811 -0.185 1
1 21 . 11 1 1 A 8 8 TRP C C 8 176.673 176.452 0.221 1
1 22 . 11 1 1 A 8 8 TRP CA C 8 57.729 58.527 -0.798 1
1 23 . 11 1 1 A 8 8 TRP CB C 8 29.413 31.009 -1.596 1
1 29 . 11 1 1 A 8 8 TRP N N 8 121.258 124.658 -3.400 1
1 31 . 11 1 1 A 9 9 GLN H H 9 8.229 8.241 -0.012 1
1 32 . 11 1 1 A 9 9 GLN HA H 9 4.133 4.074 0.059 1
1 39 . 11 1 1 A 9 9 GLN C C 9 176.147 175.340 0.807 1
1 40 . 11 1 1 A 9 9 GLN CA C 9 56.283 56.846 -0.563 1
1 41 . 11 1 1 A 9 9 GLN CB C 9 29.125 27.840 1.285 1
1 43 . 11 1 1 A 9 9 GLN N N 9 122.756 119.489 3.267 1
1 45 . 11 1 1 A 10 10 GLY H H 10 7.500 8.751 -1.251 1
1 46 . 11 1 1 A 10 10 GLY HA2 H 10 3.744 4.010 -0.266 1
1 47 . 11 1 1 A 10 10 GLY HA3 H 10 3.714 4.030 -0.316 1
1 48 . 11 1 1 A 10 10 GLY C C 10 174.092 174.697 -0.605 1
1 49 . 11 1 1 A 10 10 GLY CA C 10 45.335 46.404 -1.069 1
1 50 . 11 1 1 A 10 10 GLY N N 10 108.221 107.997 0.224 1
1 51 . 11 1 1 A 11 11 LEU H H 11 8.029 8.416 -0.387 1
1 52 . 11 1 1 A 11 11 LEU HA H 11 4.368 4.449 -0.081 1
1 62 . 11 1 1 A 11 11 LEU C C 11 177.808 176.552 1.256 1
1 63 . 11 1 1 A 11 11 LEU CA C 11 55.348 55.283 0.065 1
1 64 . 11 1 1 A 11 11 LEU CB C 11 42.515 41.143 1.372 1
1 68 . 11 1 1 A 11 11 LEU N N 11 121.136 124.092 -2.956 1
1 69 . 11 1 1 A 12 12 SER H H 12 8.388 9.084 -0.696 1
1 70 . 11 1 1 A 12 12 SER HA H 12 4.370 4.984 -0.614 1
1 73 . 11 1 1 A 12 12 SER CA C 12 58.716 57.805 0.911 1
1 74 . 11 1 1 A 12 12 SER CB C 12 63.835 63.844 -0.009 1
1 75 . 11 1 1 A 12 12 SER N N 12 116.252 123.653 -7.401 1
1 76 . 11 1 1 A 13 13 SER HA H 13 4.481 4.546 -0.065 1
1 79 . 11 1 1 A 13 13 SER C C 13 175.161 174.350 0.811 1
1 80 . 11 1 1 A 13 13 SER CA C 13 58.442 59.716 -1.274 1
1 81 . 11 1 1 A 13 13 SER CB C 13 63.798 64.081 -0.283 1
1 82 . 11 1 1 A 14 14 LYS H H 14 8.372 8.410 -0.038 1
1 83 . 11 1 1 A 14 14 LYS HA H 14 4.226 4.902 -0.676 1
1 92 . 11 1 1 A 14 14 LYS C C 14 177.249 175.890 1.359 1
1 93 . 11 1 1 A 14 14 LYS CA C 14 57.303 54.735 2.568 1
1 94 . 11 1 1 A 14 14 LYS CB C 14 32.694 34.972 -2.278 1
1 98 . 11 1 1 A 14 14 LYS N N 14 123.245 124.964 -1.719 1
1 99 . 11 1 1 A 15 15 GLY H H 15 8.213 8.400 -0.187 1
1 100 . 11 1 1 A 15 15 GLY HA2 H 15 3.924 4.083 -0.159 1
1 101 . 11 1 1 A 15 15 GLY HA3 H 15 3.924 4.084 -0.160 1
1 102 . 11 1 1 A 15 15 GLY C C 15 173.863 174.544 -0.681 1
1 103 . 11 1 1 A 15 15 GLY CA C 15 45.599 46.048 -0.449 1
1 104 . 11 1 1 A 15 15 GLY N N 15 107.368 107.635 -0.267 1
1 105 . 11 1 1 A 16 16 ASP H H 16 8.091 8.138 -0.047 1
1 106 . 11 1 1 A 16 16 ASP HA H 16 4.711 4.796 -0.085 1
1 109 . 11 1 1 A 16 16 ASP C C 16 176.074 175.432 0.642 1
1 110 . 11 1 1 A 16 16 ASP CA C 16 54.167 53.190 0.977 1
1 111 . 11 1 1 A 16 16 ASP CB C 16 41.155 42.050 -0.895 1
1 112 . 11 1 1 A 16 16 ASP N N 16 119.368 118.663 0.705 1
1 113 . 11 1 1 A 17 17 LEU H H 17 7.757 7.335 0.422 1
1 114 . 11 1 1 A 17 17 LEU HA H 17 4.641 4.422 0.219 1
1 124 . 11 1 1 A 17 17 LEU C C 17 174.627 174.747 -0.120 1
1 125 . 11 1 1 A 17 17 LEU CA C 17 53.286 53.854 -0.568 1
1 126 . 11 1 1 A 17 17 LEU CB C 17 41.003 41.361 -0.358 1
1 130 . 11 1 1 A 17 17 LEU N N 17 122.770 122.126 0.644 1
1 131 . 11 1 1 A 18 18 PRO HA H 18 4.619 4.804 -0.185 1
1 138 . 11 1 1 A 18 18 PRO C C 18 175.014 176.043 -1.029 1
1 139 . 11 1 1 A 18 18 PRO CA C 18 62.756 62.766 -0.010 1
1 140 . 11 1 1 A 18 18 PRO CB C 18 32.631 32.884 -0.253 1
1 143 . 11 1 1 A 19 19 GLN H H 19 8.295 8.397 -0.102 1
1 144 . 11 1 1 A 19 19 GLN HA H 19 5.396 4.901 0.495 1
1 151 . 11 1 1 A 19 19 GLN C C 19 176.012 174.950 1.062 1
1 152 . 11 1 1 A 19 19 GLN CA C 19 54.094 54.192 -0.098 1
1 153 . 11 1 1 A 19 19 GLN CB C 19 32.478 32.288 0.190 1
1 155 . 11 1 1 A 19 19 GLN N N 19 117.612 119.500 -1.888 1
1 157 . 11 1 1 A 20 20 VAL H H 20 9.005 8.325 0.680 1
1 158 . 11 1 1 A 20 20 VAL HA H 20 5.133 4.948 0.185 1
1 166 . 11 1 1 A 20 20 VAL C C 20 173.875 173.727 0.148 1
1 167 . 11 1 1 A 20 20 VAL CA C 20 57.486 59.023 -1.537 1
1 168 . 11 1 1 A 20 20 VAL CB C 20 35.076 34.954 0.122 1
1 171 . 11 1 1 A 20 20 VAL N N 20 112.092 117.918 -5.826 1
1 172 . 11 1 1 A 21 21 GLU H H 21 8.901 8.455 0.446 1
1 173 . 11 1 1 A 21 21 GLU HA H 21 5.199 5.027 0.172 1
1 178 . 11 1 1 A 21 21 GLU C C 21 175.780 175.604 0.176 1
1 179 . 11 1 1 A 21 21 GLU CA C 21 53.268 55.162 -1.894 1
1 180 . 11 1 1 A 21 21 GLU CB C 21 32.997 31.340 1.657 1
1 182 . 11 1 1 A 21 21 GLU N N 21 119.970 123.565 -3.595 1
1 183 . 11 1 1 A 22 22 ILE H H 22 8.656 9.021 -0.365 1
1 184 . 11 1 1 A 22 22 ILE HA H 22 4.742 4.365 0.377 1
1 194 . 11 1 1 A 22 22 ILE C C 22 179.107 178.135 0.972 1
1 195 . 11 1 1 A 22 22 ILE CA C 22 58.064 61.718 -3.654 1
1 196 . 11 1 1 A 22 22 ILE CB C 22 34.481 36.856 -2.375 1
1 200 . 11 1 1 A 22 22 ILE N N 22 125.654 128.072 -2.418 1
1 201 . 11 1 1 A 23 23 THR H H 23 9.206 8.349 0.857 1
1 202 . 11 1 1 A 23 23 THR HA H 23 4.230 4.051 0.179 1
1 207 . 11 1 1 A 23 23 THR C C 23 174.481 174.698 -0.217 1
1 208 . 11 1 1 A 23 23 THR CA C 23 62.787 65.639 -2.852 1
1 209 . 11 1 1 A 23 23 THR CB C 23 68.779 68.618 0.161 1
1 211 . 11 1 1 A 23 23 THR N N 23 122.259 120.651 1.608 1
1 212 . 11 1 1 A 24 24 LYS H H 24 7.443 7.579 -0.136 1
1 213 . 11 1 1 A 24 24 LYS HA H 24 4.332 4.892 -0.560 1
1 222 . 11 1 1 A 24 24 LYS C C 24 172.169 175.497 -3.328 1
1 223 . 11 1 1 A 24 24 LYS CA C 24 55.154 54.418 0.736 1
1 224 . 11 1 1 A 24 24 LYS CB C 24 35.137 35.658 -0.521 1
1 228 . 11 1 1 A 24 24 LYS N N 24 121.874 118.242 3.632 1
1 229 . 11 1 1 A 25 25 ALA H H 25 8.259 8.562 -0.303 1
1 230 . 11 1 1 A 25 25 ALA HA H 25 3.914 4.639 -0.725 1
1 234 . 11 1 1 A 25 25 ALA C C 25 176.411 176.805 -0.394 1
1 235 . 11 1 1 A 25 25 ALA CA C 25 53.409 52.570 0.839 1
1 236 . 11 1 1 A 25 25 ALA CB C 25 19.113 19.078 0.035 1
1 237 . 11 1 1 A 25 25 ALA N N 25 121.708 124.398 -2.690 1
1 238 . 11 1 1 A 26 26 PHE H H 26 8.058 8.474 -0.416 1
1 239 . 11 1 1 A 26 26 PHE HA H 26 4.742 5.008 -0.266 1
1 247 . 11 1 1 A 26 26 PHE C C 26 172.769 174.296 -1.527 1
1 248 . 11 1 1 A 26 26 PHE CA C 26 56.354 55.594 0.760 1
1 249 . 11 1 1 A 26 26 PHE CB C 26 42.608 40.276 2.332 1
1 255 . 11 1 1 A 26 26 PHE N N 26 121.151 122.998 -1.847 1
1 256 . 11 1 1 A 27 27 PHE H H 27 7.752 8.332 -0.580 1
1 257 . 11 1 1 A 27 27 PHE HA H 27 4.469 4.389 0.080 1
1 265 . 11 1 1 A 27 27 PHE C C 27 173.594 175.392 -1.798 1
1 266 . 11 1 1 A 27 27 PHE CA C 27 56.088 57.782 -1.694 1
1 267 . 11 1 1 A 27 27 PHE CB C 27 39.425 38.335 1.090 1
1 273 . 11 1 1 A 27 27 PHE N N 27 125.818 126.131 -0.313 1
1 274 . 11 1 1 A 28 28 ALA H H 28 8.045 7.894 0.151 1
1 275 . 11 1 1 A 28 28 ALA HA H 28 4.002 3.703 0.299 1
1 279 . 11 1 1 A 28 28 ALA C C 28 178.303 178.451 -0.148 1
1 280 . 11 1 1 A 28 28 ALA CA C 28 52.898 52.987 -0.089 1
1 281 . 11 1 1 A 28 28 ALA CB C 28 20.853 19.080 1.773 1
1 282 . 11 1 1 A 28 28 ALA N N 28 126.105 127.624 -1.519 1
1 283 . 11 1 1 A 29 29 LYS H H 29 9.282 9.373 -0.091 1
1 284 . 11 1 1 A 29 29 LYS HA H 29 4.524 4.622 -0.098 1
1 293 . 11 1 1 A 29 29 LYS C C 29 176.347 176.483 -0.136 1
1 294 . 11 1 1 A 29 29 LYS CA C 29 56.187 56.710 -0.523 1
1 295 . 11 1 1 A 29 29 LYS CB C 29 34.585 34.277 0.308 1
1 299 . 11 1 1 A 29 29 LYS N N 29 120.760 119.503 1.257 1
1 300 . 11 1 1 A 30 30 GLN H H 30 7.738 7.793 -0.055 1
1 301 . 11 1 1 A 30 30 GLN HA H 30 4.657 4.558 0.099 1
1 308 . 11 1 1 A 30 30 GLN C C 30 177.059 176.304 0.755 1
1 309 . 11 1 1 A 30 30 GLN CA C 30 53.885 54.537 -0.652 1
1 310 . 11 1 1 A 30 30 GLN CB C 30 31.349 29.913 1.436 1
1 312 . 11 1 1 A 30 30 GLN N N 30 116.957 118.973 -2.016 1
1 314 . 11 1 1 A 31 31 ALA H H 31 8.719 8.464 0.255 1
1 315 . 11 1 1 A 31 31 ALA HA H 31 4.189 4.263 -0.074 1
1 319 . 11 1 1 A 31 31 ALA C C 31 177.686 178.213 -0.527 1
1 320 . 11 1 1 A 31 31 ALA CA C 31 54.960 53.065 1.895 1
1 321 . 11 1 1 A 31 31 ALA CB C 31 18.859 19.228 -0.369 1
1 322 . 11 1 1 A 31 31 ALA N N 31 122.985 123.530 -0.545 1
1 323 . 11 1 1 A 32 32 ASP H H 32 8.436 8.351 0.085 1
1 324 . 11 1 1 A 32 32 ASP HA H 32 4.904 4.779 0.125 1
1 327 . 11 1 1 A 32 32 ASP C C 32 176.845 176.387 0.458 1
1 328 . 11 1 1 A 32 32 ASP CA C 32 54.044 54.225 -0.181 1
1 329 . 11 1 1 A 32 32 ASP CB C 32 40.166 41.478 -1.312 1
1 330 . 11 1 1 A 32 32 ASP N N 32 113.224 116.526 -3.302 1
1 331 . 11 1 1 A 33 33 GLU H H 33 7.632 8.053 -0.421 1
1 332 . 11 1 1 A 33 33 GLU HA H 33 5.578 5.090 0.488 1
1 337 . 11 1 1 A 33 33 GLU C C 33 175.518 175.421 0.097 1
1 338 . 11 1 1 A 33 33 GLU CA C 33 55.437 55.983 -0.546 1
1 339 . 11 1 1 A 33 33 GLU CB C 33 33.079 31.454 1.625 1
1 341 . 11 1 1 A 33 33 GLU N N 33 119.902 120.217 -0.315 1
1 342 . 11 1 1 A 34 34 VAL H H 34 8.311 9.004 -0.693 1
1 343 . 11 1 1 A 34 34 VAL HA H 34 4.791 4.890 -0.099 1
1 351 . 11 1 1 A 34 34 VAL C C 34 171.861 174.543 -2.682 1
1 352 . 11 1 1 A 34 34 VAL CA C 34 58.152 60.105 -1.953 1
1 353 . 11 1 1 A 34 34 VAL CB C 34 35.881 35.900 -0.019 1
1 356 . 11 1 1 A 34 34 VAL N N 34 119.872 121.030 -1.158 1
1 357 . 11 1 1 A 35 35 THR H H 35 8.047 8.726 -0.679 1
1 358 . 11 1 1 A 35 35 THR HA H 35 4.559 4.916 -0.357 1
1 363 . 11 1 1 A 35 35 THR C C 35 174.643 174.279 0.364 1
1 364 . 11 1 1 A 35 35 THR CA C 35 62.859 62.825 0.034 1
1 365 . 11 1 1 A 35 35 THR CB C 35 69.626 69.447 0.179 1
1 367 . 11 1 1 A 35 35 THR N N 35 123.767 122.414 1.353 1
1 368 . 11 1 1 A 36 36 LEU H H 36 9.001 8.655 0.346 1
1 369 . 11 1 1 A 36 36 LEU HA H 36 4.571 5.031 -0.460 1
1 379 . 11 1 1 A 36 36 LEU C C 36 176.087 175.714 0.373 1
1 380 . 11 1 1 A 36 36 LEU CA C 36 53.374 53.756 -0.382 1
1 381 . 11 1 1 A 36 36 LEU CB C 36 47.954 46.120 1.834 1
1 385 . 11 1 1 A 36 36 LEU N N 36 127.439 125.882 1.557 1
1 386 . 11 1 1 A 37 37 GLN H H 37 8.889 9.244 -0.355 1
1 387 . 11 1 1 A 37 37 GLN HA H 37 4.298 4.739 -0.441 1
1 394 . 11 1 1 A 37 37 GLN C C 37 175.508 175.406 0.102 1
1 395 . 11 1 1 A 37 37 GLN CA C 37 53.621 53.989 -0.368 1
1 396 . 11 1 1 A 37 37 GLN CB C 37 30.567 31.668 -1.101 1
1 398 . 11 1 1 A 37 37 GLN N N 37 121.687 120.391 1.296 1
1 400 . 11 1 1 A 38 38 GLN H H 38 8.517 8.589 -0.072 1
1 401 . 11 1 1 A 38 38 GLN HA H 38 3.378 3.899 -0.521 1
1 408 . 11 1 1 A 38 38 GLN C C 38 176.738 176.501 0.237 1
1 409 . 11 1 1 A 38 38 GLN CA C 38 58.584 57.211 1.373 1
1 410 . 11 1 1 A 38 38 GLN CB C 38 28.151 28.588 -0.437 1
1 412 . 11 1 1 A 38 38 GLN N N 38 120.664 121.642 -0.978 1
1 414 . 11 1 1 A 39 39 ALA H H 39 9.200 9.800 -0.600 1
1 415 . 11 1 1 A 39 39 ALA HA H 39 3.948 3.888 0.060 1
1 419 . 11 1 1 A 39 39 ALA C C 39 177.251 175.810 1.441 1
1 420 . 11 1 1 A 39 39 ALA CA C 39 54.731 53.171 1.560 1
1 421 . 11 1 1 A 39 39 ALA CB C 39 17.134 17.331 -0.197 1
1 422 . 11 1 1 A 39 39 ALA N N 39 123.253 123.628 -0.375 1
1 423 . 11 1 1 A 40 40 ASP H H 40 8.025 7.270 0.755 1
1 424 . 11 1 1 A 40 40 ASP HA H 40 4.498 5.151 -0.653 1
1 427 . 11 1 1 A 40 40 ASP C C 40 175.010 174.948 0.062 1
1 428 . 11 1 1 A 40 40 ASP CA C 40 56.407 52.884 3.523 1
1 429 . 11 1 1 A 40 40 ASP CB C 40 41.713 43.001 -1.288 1
1 430 . 11 1 1 A 40 40 ASP N N 40 121.075 116.130 4.945 1
1 431 . 11 1 1 A 41 41 VAL H H 41 7.518 8.331 -0.813 1
1 432 . 11 1 1 A 41 41 VAL HA H 41 5.060 4.682 0.378 1
1 440 . 11 1 1 A 41 41 VAL C C 41 176.546 175.181 1.365 1
1 441 . 11 1 1 A 41 41 VAL CA C 41 61.818 61.224 0.594 1
1 442 . 11 1 1 A 41 41 VAL CB C 41 32.997 33.600 -0.603 1
1 445 . 11 1 1 A 41 41 VAL N N 41 119.767 121.023 -1.256 1
1 446 . 11 1 1 A 42 42 VAL H H 42 9.086 8.251 0.835 1
1 447 . 11 1 1 A 42 42 VAL HA H 42 4.528 4.560 -0.032 1
1 455 . 11 1 1 A 42 42 VAL C C 42 173.762 174.481 -0.719 1
1 456 . 11 1 1 A 42 42 VAL CA C 42 60.363 60.875 -0.512 1
1 457 . 11 1 1 A 42 42 VAL CB C 42 35.736 35.136 0.600 1
1 460 . 11 1 1 A 42 42 VAL N N 42 129.212 126.595 2.617 1
1 461 . 11 1 1 A 43 43 LEU H H 43 8.855 9.184 -0.329 1
1 462 . 11 1 1 A 43 43 LEU HA H 43 4.651 4.737 -0.086 1
1 472 . 11 1 1 A 43 43 LEU C C 43 175.853 175.655 0.198 1
1 473 . 11 1 1 A 43 43 LEU CA C 43 54.132 54.090 0.042 1
1 474 . 11 1 1 A 43 43 LEU CB C 43 44.039 43.130 0.909 1
1 478 . 11 1 1 A 43 43 LEU N N 43 128.624 130.131 -1.507 1
1 479 . 11 1 1 A 44 44 VAL H H 44 8.835 8.733 0.102 1
1 480 . 11 1 1 A 44 44 VAL HA H 44 3.837 4.436 -0.599 1
1 488 . 11 1 1 A 44 44 VAL C C 44 174.445 175.712 -1.267 1
1 489 . 11 1 1 A 44 44 VAL CA C 44 64.603 63.693 0.910 1
1 490 . 11 1 1 A 44 44 VAL CB C 44 32.325 32.166 0.159 1
1 493 . 11 1 1 A 44 44 VAL N N 44 126.525 127.843 -1.318 1
1 494 . 11 1 1 A 45 45 LEU H H 45 9.166 10.075 -0.909 1
1 495 . 11 1 1 A 45 45 LEU HA H 45 4.488 4.556 -0.068 1
1 505 . 11 1 1 A 45 45 LEU C C 45 177.820 176.567 1.253 1
1 506 . 11 1 1 A 45 45 LEU CA C 45 56.137 55.682 0.455 1
1 507 . 11 1 1 A 45 45 LEU CB C 45 43.957 43.602 0.355 1
1 511 . 11 1 1 A 45 45 LEU N N 45 127.543 126.877 0.666 1
1 512 . 11 1 1 A 46 46 GLN H H 46 8.074 7.535 0.539 1
1 513 . 11 1 1 A 46 46 GLN HA H 46 4.643 4.768 -0.125 1
1 520 . 11 1 1 A 46 46 GLN C C 46 173.225 174.547 -1.322 1
1 521 . 11 1 1 A 46 46 GLN CA C 46 55.277 54.747 0.530 1
1 522 . 11 1 1 A 46 46 GLN CB C 46 33.285 31.614 1.671 1
1 524 . 11 1 1 A 46 46 GLN N N 46 115.961 116.830 -0.869 1
1 526 . 11 1 1 A 47 47 GLN H H 47 8.683 8.985 -0.302 1
1 527 . 11 1 1 A 47 47 GLN HA H 47 5.194 4.905 0.289 1
1 534 . 11 1 1 A 47 47 GLN C C 47 174.366 174.834 -0.468 1
1 535 . 11 1 1 A 47 47 GLN CA C 47 55.243 55.261 -0.018 1
1 536 . 11 1 1 A 47 47 GLN CB C 47 31.473 29.810 1.663 1
1 538 . 11 1 1 A 47 47 GLN N N 47 121.742 124.059 -2.317 1
1 540 . 11 1 1 A 48 48 GLU H H 48 9.201 9.254 -0.053 1
1 541 . 11 1 1 A 48 48 GLU HA H 48 4.669 5.031 -0.362 1
1 546 . 11 1 1 A 48 48 GLU C C 48 175.622 175.210 0.412 1
1 547 . 11 1 1 A 48 48 GLU CA C 48 56.134 54.791 1.343 1
1 548 . 11 1 1 A 48 48 GLU CB C 48 33.098 32.672 0.426 1
1 550 . 11 1 1 A 48 48 GLU N N 48 124.529 124.823 -0.294 1
1 551 . 11 1 1 A 49 49 ASP H H 49 9.177 8.808 0.369 1
1 552 . 11 1 1 A 49 49 ASP HA H 49 4.424 4.318 0.106 1
1 555 . 11 1 1 A 49 49 ASP C C 49 175.771 176.904 -1.133 1
1 556 . 11 1 1 A 49 49 ASP CA C 49 56.001 56.023 -0.022 1
1 557 . 11 1 1 A 49 49 ASP CB C 49 40.478 40.553 -0.075 1
1 558 . 11 1 1 A 49 49 ASP N N 49 125.649 128.034 -2.385 1
1 559 . 11 1 1 A 50 50 GLY H H 50 8.750 8.796 -0.046 1
1 560 . 11 1 1 A 50 50 GLY HA2 H 50 4.266 4.060 0.206 1
1 561 . 11 1 1 A 50 50 GLY HA3 H 50 3.753 4.154 -0.401 1
1 562 . 11 1 1 A 50 50 GLY C C 50 174.455 173.695 0.760 1
1 563 . 11 1 1 A 50 50 GLY CA C 50 45.969 45.463 0.506 1
1 564 . 11 1 1 A 50 50 GLY N N 50 108.057 113.242 -5.185 1
1 565 . 11 1 1 A 51 51 TRP H H 51 8.427 8.880 -0.453 1
1 566 . 11 1 1 A 51 51 TRP HA H 51 4.877 5.323 -0.446 1
1 575 . 11 1 1 A 51 51 TRP C C 51 173.525 175.517 -1.992 1
1 576 . 11 1 1 A 51 51 TRP CA C 51 57.270 55.622 1.648 1
1 577 . 11 1 1 A 51 51 TRP CB C 51 32.690 34.131 -1.441 1
1 583 . 11 1 1 A 51 51 TRP N N 51 122.784 120.921 1.863 1
1 585 . 11 1 1 A 52 52 LEU H H 52 9.368 9.085 0.283 1
1 586 . 11 1 1 A 52 52 LEU HA H 52 4.987 4.943 0.044 1
1 596 . 11 1 1 A 52 52 LEU C C 52 173.005 174.135 -1.130 1
1 597 . 11 1 1 A 52 52 LEU CA C 52 52.634 52.941 -0.307 1
1 598 . 11 1 1 A 52 52 LEU CB C 52 43.833 43.317 0.516 1
1 602 . 11 1 1 A 52 52 LEU N N 52 121.750 122.438 -0.688 1
1 603 . 11 1 1 A 53 53 TYR H H 53 8.267 9.476 -1.209 1
1 604 . 11 1 1 A 53 53 TYR HA H 53 4.513 4.557 -0.044 1
1 611 . 11 1 1 A 53 53 TYR C C 53 176.111 175.068 1.043 1
1 612 . 11 1 1 A 53 53 TYR CA C 53 55.283 57.447 -2.164 1
1 613 . 11 1 1 A 53 53 TYR CB C 53 39.251 38.961 0.290 1
1 618 . 11 1 1 A 53 53 TYR N N 53 122.457 126.471 -4.014 1
1 619 . 11 1 1 A 54 54 GLY H H 54 8.238 7.737 0.501 1
1 620 . 11 1 1 A 54 54 GLY HA2 H 54 4.706 4.149 0.557 1
1 621 . 11 1 1 A 54 54 GLY HA3 H 54 3.802 4.400 -0.598 1
1 622 . 11 1 1 A 54 54 GLY C C 54 168.928 171.479 -2.551 1
1 623 . 11 1 1 A 54 54 GLY CA C 54 45.792 45.677 0.115 1
1 624 . 11 1 1 A 54 54 GLY N N 54 112.598 112.054 0.544 1
1 625 . 11 1 1 A 55 55 GLU H H 55 8.400 9.187 -0.787 1
1 626 . 11 1 1 A 55 55 GLU HA H 55 4.718 4.938 -0.220 1
1 631 . 11 1 1 A 55 55 GLU C C 55 175.540 175.442 0.098 1
1 632 . 11 1 1 A 55 55 GLU CA C 55 53.268 54.765 -1.497 1
1 633 . 11 1 1 A 55 55 GLU CB C 55 34.264 32.944 1.320 1
1 635 . 11 1 1 A 55 55 GLU N N 55 118.345 120.491 -2.146 1
1 636 . 11 1 1 A 56 56 ARG H H 56 9.654 9.236 0.418 1
1 637 . 11 1 1 A 56 56 ARG HA H 56 4.309 4.431 -0.122 1
1 645 . 11 1 1 A 56 56 ARG C C 56 176.838 176.438 0.400 1
1 646 . 11 1 1 A 56 56 ARG CA C 56 57.492 56.547 0.945 1
1 647 . 11 1 1 A 56 56 ARG CB C 56 30.854 30.761 0.093 1
1 650 . 11 1 1 A 56 56 ARG N N 56 129.571 127.816 1.755 1
1 652 . 11 1 1 A 57 57 LEU H H 57 8.195 8.244 -0.049 1
1 653 . 11 1 1 A 57 57 LEU HA H 57 4.021 4.101 -0.080 1
1 663 . 11 1 1 A 57 57 LEU C C 57 179.671 178.879 0.792 1
1 664 . 11 1 1 A 57 57 LEU CA C 57 58.338 57.105 1.233 1
1 665 . 11 1 1 A 57 57 LEU CB C 57 41.939 41.335 0.604 1
1 669 . 11 1 1 A 57 57 LEU N N 57 129.973 126.787 3.186 1
1 670 . 11 1 1 A 58 58 ARG H H 58 8.494 8.165 0.329 1
1 671 . 11 1 1 A 58 58 ARG HA H 58 4.112 3.956 0.156 1
1 678 . 11 1 1 A 58 58 ARG C C 58 176.402 178.041 -1.639 1
1 679 . 11 1 1 A 58 58 ARG CA C 58 59.139 59.551 -0.412 1
1 680 . 11 1 1 A 58 58 ARG CB C 58 30.106 30.149 -0.043 1
1 683 . 11 1 1 A 58 58 ARG N N 58 115.005 120.869 -5.864 1
1 684 . 11 1 1 A 59 59 ASP H H 59 7.392 8.090 -0.698 1
1 685 . 11 1 1 A 59 59 ASP HA H 59 4.803 4.806 -0.003 1
1 688 . 11 1 1 A 59 59 ASP C C 59 176.801 176.335 0.466 1
1 689 . 11 1 1 A 59 59 ASP CA C 59 52.827 54.020 -1.193 1
1 690 . 11 1 1 A 59 59 ASP CB C 59 42.144 42.412 -0.268 1
1 691 . 11 1 1 A 59 59 ASP N N 59 113.739 117.159 -3.420 1
1 692 . 11 1 1 A 60 60 GLY H H 60 8.435 8.175 0.260 1
1 693 . 11 1 1 A 60 60 GLY HA2 H 60 4.125 3.999 0.126 1
1 694 . 11 1 1 A 60 60 GLY HA3 H 60 3.868 4.001 -0.133 1
1 695 . 11 1 1 A 60 60 GLY C C 60 174.707 174.482 0.225 1
1 696 . 11 1 1 A 60 60 GLY CA C 60 45.917 44.981 0.936 1
1 697 . 11 1 1 A 60 60 GLY N N 60 110.642 107.677 2.965 1
1 698 . 11 1 1 A 61 61 GLU H H 61 7.527 7.957 -0.430 1
1 699 . 11 1 1 A 61 61 GLU HA H 61 4.163 4.298 -0.135 1
1 704 . 11 1 1 A 61 61 GLU C C 61 176.225 176.025 0.200 1
1 705 . 11 1 1 A 61 61 GLU CA C 61 58.222 57.335 0.887 1
1 706 . 11 1 1 A 61 61 GLU CB C 61 29.825 30.355 -0.530 1
1 708 . 11 1 1 A 61 61 GLU N N 61 123.061 121.696 1.365 1
1 709 . 11 1 1 A 62 62 THR H H 62 8.451 8.797 -0.346 1
1 710 . 11 1 1 A 62 62 THR HA H 62 5.666 4.993 0.673 1
1 715 . 11 1 1 A 62 62 THR C C 62 174.469 173.949 0.520 1
1 716 . 11 1 1 A 62 62 THR CA C 62 59.826 60.469 -0.643 1
1 717 . 11 1 1 A 62 62 THR CB C 62 72.751 70.057 2.694 1
1 719 . 11 1 1 A 62 62 THR N N 62 117.411 121.553 -4.142 1
1 720 . 11 1 1 A 63 63 GLY H H 63 7.931 8.172 -0.241 1
1 721 . 11 1 1 A 63 63 GLY HA2 H 63 4.124 4.459 -0.335 1
1 722 . 11 1 1 A 63 63 GLY HA3 H 63 3.936 4.550 -0.614 1
1 723 . 11 1 1 A 63 63 GLY C C 63 170.896 171.842 -0.946 1
1 724 . 11 1 1 A 63 63 GLY CA C 63 45.652 45.443 0.209 1
1 725 . 11 1 1 A 63 63 GLY N N 63 108.439 112.097 -3.658 1
1 726 . 11 1 1 A 64 64 TRP H H 64 9.071 9.245 -0.174 1
1 727 . 11 1 1 A 64 64 TRP HA H 64 6.061 5.670 0.391 1
1 736 . 11 1 1 A 64 64 TRP C C 64 177.395 176.645 0.750 1
1 737 . 11 1 1 A 64 64 TRP CA C 64 57.259 56.647 0.612 1
1 738 . 11 1 1 A 64 64 TRP CB C 64 31.882 30.980 0.902 1
1 744 . 11 1 1 A 64 64 TRP N N 64 119.762 120.704 -0.942 1
1 746 . 11 1 1 A 65 65 PHE H H 65 9.657 9.226 0.431 1
1 747 . 11 1 1 A 65 65 PHE HA H 65 4.823 5.593 -0.770 1
1 755 . 11 1 1 A 65 65 PHE C C 65 170.814 173.302 -2.488 1
1 756 . 11 1 1 A 65 65 PHE CA C 65 55.578 54.911 0.667 1
1 757 . 11 1 1 A 65 65 PHE CB C 65 38.245 42.456 -4.211 1
1 763 . 11 1 1 A 65 65 PHE N N 65 116.076 120.150 -4.074 1
1 764 . 11 1 1 A 66 66 PRO HA H 66 3.546 4.246 -0.700 1
1 771 . 11 1 1 A 66 66 PRO C C 66 177.963 177.737 0.226 1
1 772 . 11 1 1 A 66 66 PRO CA C 66 62.065 62.212 -0.147 1
1 773 . 11 1 1 A 66 66 PRO CB C 66 31.116 31.917 -0.801 1
1 776 . 11 1 1 A 67 67 GLU H H 67 8.081 8.591 -0.510 1
1 777 . 11 1 1 A 67 67 GLU HA H 67 3.651 4.111 -0.460 1
1 782 . 11 1 1 A 67 67 GLU C C 67 177.298 178.893 -1.595 1
1 783 . 11 1 1 A 67 67 GLU CA C 67 58.746 59.229 -0.483 1
1 784 . 11 1 1 A 67 67 GLU CB C 67 29.820 29.083 0.737 1
1 786 . 11 1 1 A 67 67 GLU N N 67 121.549 122.143 -0.594 1
1 787 . 11 1 1 A 68 68 ASP H H 68 8.456 8.145 0.311 1
1 788 . 11 1 1 A 68 68 ASP HA H 68 4.539 4.291 0.248 1
1 791 . 11 1 1 A 68 68 ASP C C 68 176.157 177.357 -1.200 1
1 792 . 11 1 1 A 68 68 ASP CA C 68 55.225 56.810 -1.585 1
1 793 . 11 1 1 A 68 68 ASP CB C 68 39.633 40.478 -0.845 1
1 794 . 11 1 1 A 68 68 ASP N N 68 113.915 120.791 -6.876 1
1 795 . 11 1 1 A 69 69 PHE H H 69 7.661 7.555 0.106 1
1 796 . 11 1 1 A 69 69 PHE HA H 69 4.386 4.618 -0.232 1
1 803 . 11 1 1 A 69 69 PHE C C 69 173.252 174.562 -1.310 1
1 804 . 11 1 1 A 69 69 PHE CA C 69 57.758 57.167 0.591 1
1 805 . 11 1 1 A 69 69 PHE CB C 69 37.019 38.716 -1.697 1
1 810 . 11 1 1 A 69 69 PHE N N 69 119.727 116.907 2.820 1
1 811 . 11 1 1 A 70 70 ALA H H 70 7.809 8.318 -0.509 1
1 812 . 11 1 1 A 70 70 ALA HA H 70 5.256 4.883 0.373 1
1 816 . 11 1 1 A 70 70 ALA C C 70 175.703 175.158 0.545 1
1 817 . 11 1 1 A 70 70 ALA CA C 70 50.800 51.293 -0.493 1
1 818 . 11 1 1 A 70 70 ALA CB C 70 24.061 22.917 1.144 1
1 819 . 11 1 1 A 70 70 ALA N N 70 121.782 120.409 1.373 1
1 820 . 11 1 1 A 71 71 ARG H H 71 8.792 8.400 0.392 1
1 821 . 11 1 1 A 71 71 ARG HA H 71 4.828 5.077 -0.249 1
1 828 . 11 1 1 A 71 71 ARG C C 71 175.613 175.552 0.061 1
1 829 . 11 1 1 A 71 71 ARG CA C 71 54.220 54.364 -0.144 1
1 830 . 11 1 1 A 71 71 ARG CB C 71 33.286 32.335 0.951 1
1 833 . 11 1 1 A 71 71 ARG N N 71 119.543 118.215 1.328 1
1 834 . 11 1 1 A 72 72 PHE H H 72 9.194 8.813 0.381 1
1 835 . 11 1 1 A 72 72 PHE HA H 72 4.604 4.410 0.194 1
1 843 . 11 1 1 A 72 72 PHE C C 72 176.818 176.094 0.724 1
1 844 . 11 1 1 A 72 72 PHE CA C 72 59.896 59.696 0.200 1
1 845 . 11 1 1 A 72 72 PHE CB C 72 39.079 39.608 -0.529 1
1 851 . 11 1 1 A 72 72 PHE N N 72 125.006 124.468 0.538 1
1 852 . 11 1 1 A 73 73 ILE H H 73 8.574 9.076 -0.502 1
1 853 . 11 1 1 A 73 73 ILE HA H 73 4.390 4.595 -0.205 1
1 863 . 11 1 1 A 73 73 ILE C C 73 176.086 176.447 -0.361 1
1 864 . 11 1 1 A 73 73 ILE CA C 73 61.450 60.191 1.259 1
1 865 . 11 1 1 A 73 73 ILE CB C 73 39.508 38.051 1.457 1
1 869 . 11 1 1 A 73 73 ILE N N 73 120.816 123.935 -3.119 1
1 870 . 11 1 1 A 74 74 SER H H 74 8.329 8.897 -0.568 1
1 871 . 11 1 1 A 74 74 SER HA H 74 4.626 4.109 0.517 1
1 874 . 11 1 1 A 74 74 SER C C 74 174.223 173.402 0.821 1
1 875 . 11 1 1 A 74 74 SER CA C 74 58.169 59.261 -1.092 1
1 876 . 11 1 1 A 74 74 SER CB C 74 64.370 61.892 2.478 1
1 877 . 11 1 1 A 74 74 SER N N 74 118.251 120.322 -2.071 1
1 878 . 11 1 1 A 75 75 GLY H H 75 8.372 7.827 0.545 1
1 879 . 11 1 1 A 75 75 GLY HA2 H 75 4.149 4.095 0.054 1
1 880 . 11 1 1 A 75 75 GLY HA3 H 75 4.149 4.180 -0.031 1
1 881 . 11 1 1 A 75 75 GLY C C 75 171.907 171.079 0.828 1
1 882 . 11 1 1 A 75 75 GLY CA C 75 44.682 45.472 -0.790 1
1 883 . 11 1 1 A 75 75 GLY N N 75 109.951 106.772 3.179 1
1 884 . 11 1 1 A 76 76 PRO HA H 76 4.456 4.448 0.008 1
1 891 . 11 1 1 A 76 76 PRO CA C 76 63.394 62.265 1.129 1
1 892 . 11 1 1 A 76 76 PRO CB C 76 32.180 32.443 -0.263 1
1 1 . 12 1 1 A 6 6 SER HA H 6 4.486 4.698 -0.212 1
1 3 . 12 1 1 A 6 6 SER CA C 6 58.492 59.288 -0.796 1
1 4 . 12 1 1 A 6 6 SER CB C 6 64.343 65.633 -1.290 1
1 5 . 12 1 1 A 7 7 GLY H H 7 8.044 8.034 0.010 1
1 6 . 12 1 1 A 7 7 GLY HA2 H 7 4.458 4.032 0.426 1
1 7 . 12 1 1 A 7 7 GLY HA3 H 7 3.780 4.080 -0.300 1
1 8 . 12 1 1 A 7 7 GLY C C 7 174.131 173.168 0.963 1
1 9 . 12 1 1 A 7 7 GLY CA C 7 45.458 45.288 0.170 1
1 10 . 12 1 1 A 7 7 GLY N N 7 116.867 107.932 8.935 1
1 11 . 12 1 1 A 8 8 TRP H H 8 8.111 8.518 -0.407 1
1 12 . 12 1 1 A 8 8 TRP HA H 8 4.626 5.143 -0.517 1
1 21 . 12 1 1 A 8 8 TRP C C 8 176.673 176.618 0.055 1
1 22 . 12 1 1 A 8 8 TRP CA C 8 57.729 55.915 1.814 1
1 23 . 12 1 1 A 8 8 TRP CB C 8 29.413 32.052 -2.639 1
1 29 . 12 1 1 A 8 8 TRP N N 8 121.258 121.249 0.009 1
1 31 . 12 1 1 A 9 9 GLN H H 9 8.229 8.627 -0.398 1
1 32 . 12 1 1 A 9 9 GLN HA H 9 4.133 3.975 0.158 1
1 39 . 12 1 1 A 9 9 GLN C C 9 176.147 178.591 -2.444 1
1 40 . 12 1 1 A 9 9 GLN CA C 9 56.283 59.485 -3.202 1
1 41 . 12 1 1 A 9 9 GLN CB C 9 29.125 29.044 0.081 1
1 43 . 12 1 1 A 9 9 GLN N N 9 122.756 126.389 -3.633 1
1 45 . 12 1 1 A 10 10 GLY H H 10 7.500 8.302 -0.802 1
1 46 . 12 1 1 A 10 10 GLY HA2 H 10 3.744 4.131 -0.387 1
1 47 . 12 1 1 A 10 10 GLY HA3 H 10 3.714 4.194 -0.480 1
1 48 . 12 1 1 A 10 10 GLY C C 10 174.092 174.237 -0.145 1
1 49 . 12 1 1 A 10 10 GLY CA C 10 45.335 44.599 0.736 1
1 50 . 12 1 1 A 10 10 GLY N N 10 108.221 107.424 0.797 1
1 51 . 12 1 1 A 11 11 LEU H H 11 8.029 8.724 -0.695 1
1 52 . 12 1 1 A 11 11 LEU HA H 11 4.368 4.176 0.192 1
1 62 . 12 1 1 A 11 11 LEU C C 11 177.808 176.908 0.900 1
1 63 . 12 1 1 A 11 11 LEU CA C 11 55.348 56.083 -0.735 1
1 64 . 12 1 1 A 11 11 LEU CB C 11 42.515 41.185 1.330 1
1 68 . 12 1 1 A 11 11 LEU N N 11 121.136 121.854 -0.718 1
1 69 . 12 1 1 A 12 12 SER H H 12 8.388 8.438 -0.050 1
1 70 . 12 1 1 A 12 12 SER HA H 12 4.370 4.216 0.154 1
1 73 . 12 1 1 A 12 12 SER CA C 12 58.716 61.595 -2.879 1
1 74 . 12 1 1 A 12 12 SER CB C 12 63.835 63.142 0.693 1
1 75 . 12 1 1 A 12 12 SER N N 12 116.252 120.613 -4.361 1
1 76 . 12 1 1 A 13 13 SER HA H 13 4.481 4.648 -0.167 1
1 79 . 12 1 1 A 13 13 SER C C 13 175.161 174.799 0.362 1
1 80 . 12 1 1 A 13 13 SER CA C 13 58.442 57.657 0.785 1
1 81 . 12 1 1 A 13 13 SER CB C 13 63.798 65.151 -1.353 1
1 82 . 12 1 1 A 14 14 LYS H H 14 8.372 8.875 -0.503 1
1 83 . 12 1 1 A 14 14 LYS HA H 14 4.226 4.096 0.130 1
1 92 . 12 1 1 A 14 14 LYS C C 14 177.249 176.111 1.138 1
1 93 . 12 1 1 A 14 14 LYS CA C 14 57.303 57.000 0.303 1
1 94 . 12 1 1 A 14 14 LYS CB C 14 32.694 30.083 2.611 1
1 98 . 12 1 1 A 14 14 LYS N N 14 123.245 123.895 -0.650 1
1 99 . 12 1 1 A 15 15 GLY H H 15 8.213 8.097 0.116 1
1 100 . 12 1 1 A 15 15 GLY HA2 H 15 3.924 4.030 -0.106 1
1 101 . 12 1 1 A 15 15 GLY HA3 H 15 3.924 4.035 -0.111 1
1 102 . 12 1 1 A 15 15 GLY C C 15 173.863 174.248 -0.385 1
1 103 . 12 1 1 A 15 15 GLY CA C 15 45.599 46.115 -0.516 1
1 104 . 12 1 1 A 15 15 GLY N N 15 107.368 109.917 -2.549 1
1 105 . 12 1 1 A 16 16 ASP H H 16 8.091 8.522 -0.431 1
1 106 . 12 1 1 A 16 16 ASP HA H 16 4.711 4.742 -0.031 1
1 109 . 12 1 1 A 16 16 ASP C C 16 176.074 175.656 0.418 1
1 110 . 12 1 1 A 16 16 ASP CA C 16 54.167 53.769 0.398 1
1 111 . 12 1 1 A 16 16 ASP CB C 16 41.155 41.368 -0.213 1
1 112 . 12 1 1 A 16 16 ASP N N 16 119.368 121.014 -1.646 1
1 113 . 12 1 1 A 17 17 LEU H H 17 7.757 7.354 0.403 1
1 114 . 12 1 1 A 17 17 LEU HA H 17 4.641 4.466 0.175 1
1 124 . 12 1 1 A 17 17 LEU C C 17 174.627 174.736 -0.109 1
1 125 . 12 1 1 A 17 17 LEU CA C 17 53.286 53.199 0.087 1
1 126 . 12 1 1 A 17 17 LEU CB C 17 41.003 40.583 0.420 1
1 130 . 12 1 1 A 17 17 LEU N N 17 122.770 122.188 0.582 1
1 131 . 12 1 1 A 18 18 PRO HA H 18 4.619 4.746 -0.127 1
1 138 . 12 1 1 A 18 18 PRO C C 18 175.014 175.460 -0.446 1
1 139 . 12 1 1 A 18 18 PRO CA C 18 62.756 62.503 0.253 1
1 140 . 12 1 1 A 18 18 PRO CB C 18 32.631 33.316 -0.685 1
1 143 . 12 1 1 A 19 19 GLN H H 19 8.295 8.431 -0.136 1
1 144 . 12 1 1 A 19 19 GLN HA H 19 5.396 4.841 0.555 1
1 151 . 12 1 1 A 19 19 GLN C C 19 176.012 174.414 1.598 1
1 152 . 12 1 1 A 19 19 GLN CA C 19 54.094 54.387 -0.293 1
1 153 . 12 1 1 A 19 19 GLN CB C 19 32.478 33.577 -1.099 1
1 155 . 12 1 1 A 19 19 GLN N N 19 117.612 118.751 -1.139 1
1 157 . 12 1 1 A 20 20 VAL H H 20 9.005 8.265 0.740 1
1 158 . 12 1 1 A 20 20 VAL HA H 20 5.133 4.989 0.144 1
1 166 . 12 1 1 A 20 20 VAL C C 20 173.875 173.823 0.052 1
1 167 . 12 1 1 A 20 20 VAL CA C 20 57.486 59.322 -1.836 1
1 168 . 12 1 1 A 20 20 VAL CB C 20 35.076 35.348 -0.272 1
1 171 . 12 1 1 A 20 20 VAL N N 20 112.092 117.823 -5.731 1
1 172 . 12 1 1 A 21 21 GLU H H 21 8.901 8.406 0.495 1
1 173 . 12 1 1 A 21 21 GLU HA H 21 5.199 4.875 0.324 1
1 178 . 12 1 1 A 21 21 GLU C C 21 175.780 175.692 0.088 1
1 179 . 12 1 1 A 21 21 GLU CA C 21 53.268 55.361 -2.093 1
1 180 . 12 1 1 A 21 21 GLU CB C 21 32.997 31.175 1.822 1
1 182 . 12 1 1 A 21 21 GLU N N 21 119.970 124.097 -4.127 1
1 183 . 12 1 1 A 22 22 ILE H H 22 8.656 9.949 -1.293 1
1 184 . 12 1 1 A 22 22 ILE HA H 22 4.742 4.200 0.542 1
1 194 . 12 1 1 A 22 22 ILE C C 22 179.107 178.115 0.992 1
1 195 . 12 1 1 A 22 22 ILE CA C 22 58.064 61.620 -3.556 1
1 196 . 12 1 1 A 22 22 ILE CB C 22 34.481 36.883 -2.402 1
1 200 . 12 1 1 A 22 22 ILE N N 22 125.654 128.052 -2.398 1
1 201 . 12 1 1 A 23 23 THR H H 23 9.206 8.448 0.758 1
1 202 . 12 1 1 A 23 23 THR HA H 23 4.230 4.167 0.063 1
1 207 . 12 1 1 A 23 23 THR C C 23 174.481 174.450 0.031 1
1 208 . 12 1 1 A 23 23 THR CA C 23 62.787 64.208 -1.421 1
1 209 . 12 1 1 A 23 23 THR CB C 23 68.779 68.958 -0.179 1
1 211 . 12 1 1 A 23 23 THR N N 23 122.259 119.751 2.508 1
1 212 . 12 1 1 A 24 24 LYS H H 24 7.443 7.623 -0.180 1
1 213 . 12 1 1 A 24 24 LYS HA H 24 4.332 4.872 -0.540 1
1 222 . 12 1 1 A 24 24 LYS C C 24 172.169 175.361 -3.192 1
1 223 . 12 1 1 A 24 24 LYS CA C 24 55.154 54.684 0.470 1
1 224 . 12 1 1 A 24 24 LYS CB C 24 35.137 35.449 -0.312 1
1 228 . 12 1 1 A 24 24 LYS N N 24 121.874 117.790 4.084 1
1 229 . 12 1 1 A 25 25 ALA H H 25 8.259 8.616 -0.357 1
1 230 . 12 1 1 A 25 25 ALA HA H 25 3.914 4.688 -0.774 1
1 234 . 12 1 1 A 25 25 ALA C C 25 176.411 176.822 -0.411 1
1 235 . 12 1 1 A 25 25 ALA CA C 25 53.409 52.654 0.755 1
1 236 . 12 1 1 A 25 25 ALA CB C 25 19.113 19.116 -0.003 1
1 237 . 12 1 1 A 25 25 ALA N N 25 121.708 124.384 -2.676 1
1 238 . 12 1 1 A 26 26 PHE H H 26 8.058 8.556 -0.498 1
1 239 . 12 1 1 A 26 26 PHE HA H 26 4.742 4.906 -0.164 1
1 247 . 12 1 1 A 26 26 PHE C C 26 172.769 174.522 -1.753 1
1 248 . 12 1 1 A 26 26 PHE CA C 26 56.354 56.645 -0.291 1
1 249 . 12 1 1 A 26 26 PHE CB C 26 42.608 39.753 2.855 1
1 255 . 12 1 1 A 26 26 PHE N N 26 121.151 121.527 -0.376 1
1 256 . 12 1 1 A 27 27 PHE H H 27 7.752 8.738 -0.986 1
1 257 . 12 1 1 A 27 27 PHE HA H 27 4.469 4.300 0.169 1
1 265 . 12 1 1 A 27 27 PHE C C 27 173.594 175.279 -1.685 1
1 266 . 12 1 1 A 27 27 PHE CA C 27 56.088 58.802 -2.714 1
1 267 . 12 1 1 A 27 27 PHE CB C 27 39.425 38.938 0.487 1
1 273 . 12 1 1 A 27 27 PHE N N 27 125.818 126.104 -0.286 1
1 274 . 12 1 1 A 28 28 ALA H H 28 8.045 7.858 0.187 1
1 275 . 12 1 1 A 28 28 ALA HA H 28 4.002 3.903 0.099 1
1 279 . 12 1 1 A 28 28 ALA C C 28 178.303 178.327 -0.024 1
1 280 . 12 1 1 A 28 28 ALA CA C 28 52.898 52.718 0.180 1
1 281 . 12 1 1 A 28 28 ALA CB C 28 20.853 19.083 1.770 1
1 282 . 12 1 1 A 28 28 ALA N N 28 126.105 127.446 -1.341 1
1 283 . 12 1 1 A 29 29 LYS H H 29 9.282 9.787 -0.505 1
1 284 . 12 1 1 A 29 29 LYS HA H 29 4.524 4.631 -0.107 1
1 293 . 12 1 1 A 29 29 LYS C C 29 176.347 176.362 -0.015 1
1 294 . 12 1 1 A 29 29 LYS CA C 29 56.187 56.638 -0.451 1
1 295 . 12 1 1 A 29 29 LYS CB C 29 34.585 34.383 0.202 1
1 299 . 12 1 1 A 29 29 LYS N N 29 120.760 119.445 1.315 1
1 300 . 12 1 1 A 30 30 GLN H H 30 7.738 8.589 -0.851 1
1 301 . 12 1 1 A 30 30 GLN HA H 30 4.657 4.501 0.156 1
1 308 . 12 1 1 A 30 30 GLN C C 30 177.059 176.413 0.646 1
1 309 . 12 1 1 A 30 30 GLN CA C 30 53.885 54.712 -0.827 1
1 310 . 12 1 1 A 30 30 GLN CB C 30 31.349 29.548 1.801 1
1 312 . 12 1 1 A 30 30 GLN N N 30 116.957 119.181 -2.224 1
1 314 . 12 1 1 A 31 31 ALA H H 31 8.719 8.438 0.281 1
1 315 . 12 1 1 A 31 31 ALA HA H 31 4.189 4.246 -0.057 1
1 319 . 12 1 1 A 31 31 ALA C C 31 177.686 177.721 -0.035 1
1 320 . 12 1 1 A 31 31 ALA CA C 31 54.960 53.237 1.723 1
1 321 . 12 1 1 A 31 31 ALA CB C 31 18.859 19.419 -0.560 1
1 322 . 12 1 1 A 31 31 ALA N N 31 122.985 123.386 -0.401 1
1 323 . 12 1 1 A 32 32 ASP H H 32 8.436 8.173 0.263 1
1 324 . 12 1 1 A 32 32 ASP HA H 32 4.904 4.808 0.096 1
1 327 . 12 1 1 A 32 32 ASP C C 32 176.845 176.823 0.022 1
1 328 . 12 1 1 A 32 32 ASP CA C 32 54.044 54.282 -0.238 1
1 329 . 12 1 1 A 32 32 ASP CB C 32 40.166 41.952 -1.786 1
1 330 . 12 1 1 A 32 32 ASP N N 32 113.224 117.970 -4.746 1
1 331 . 12 1 1 A 33 33 GLU H H 33 7.632 8.035 -0.403 1
1 332 . 12 1 1 A 33 33 GLU HA H 33 5.578 5.045 0.533 1
1 337 . 12 1 1 A 33 33 GLU C C 33 175.518 175.367 0.151 1
1 338 . 12 1 1 A 33 33 GLU CA C 33 55.437 56.208 -0.771 1
1 339 . 12 1 1 A 33 33 GLU CB C 33 33.079 30.953 2.126 1
1 341 . 12 1 1 A 33 33 GLU N N 33 119.902 118.287 1.615 1
1 342 . 12 1 1 A 34 34 VAL H H 34 8.311 8.533 -0.222 1
1 343 . 12 1 1 A 34 34 VAL HA H 34 4.791 4.932 -0.141 1
1 351 . 12 1 1 A 34 34 VAL C C 34 171.861 174.550 -2.689 1
1 352 . 12 1 1 A 34 34 VAL CA C 34 58.152 59.933 -1.781 1
1 353 . 12 1 1 A 34 34 VAL CB C 34 35.881 35.797 0.084 1
1 356 . 12 1 1 A 34 34 VAL N N 34 119.872 120.747 -0.875 1
1 357 . 12 1 1 A 35 35 THR H H 35 8.047 8.729 -0.682 1
1 358 . 12 1 1 A 35 35 THR HA H 35 4.559 4.728 -0.169 1
1 363 . 12 1 1 A 35 35 THR C C 35 174.643 174.142 0.501 1
1 364 . 12 1 1 A 35 35 THR CA C 35 62.859 62.631 0.228 1
1 365 . 12 1 1 A 35 35 THR CB C 35 69.626 69.347 0.279 1
1 367 . 12 1 1 A 35 35 THR N N 35 123.767 122.515 1.252 1
1 368 . 12 1 1 A 36 36 LEU H H 36 9.001 8.532 0.469 1
1 369 . 12 1 1 A 36 36 LEU HA H 36 4.571 4.977 -0.406 1
1 379 . 12 1 1 A 36 36 LEU C C 36 176.087 175.701 0.386 1
1 380 . 12 1 1 A 36 36 LEU CA C 36 53.374 53.738 -0.364 1
1 381 . 12 1 1 A 36 36 LEU CB C 36 47.954 46.262 1.692 1
1 385 . 12 1 1 A 36 36 LEU N N 36 127.439 125.942 1.497 1
1 386 . 12 1 1 A 37 37 GLN H H 37 8.889 8.609 0.280 1
1 387 . 12 1 1 A 37 37 GLN HA H 37 4.298 4.701 -0.403 1
1 394 . 12 1 1 A 37 37 GLN C C 37 175.508 174.950 0.558 1
1 395 . 12 1 1 A 37 37 GLN CA C 37 53.621 53.852 -0.231 1
1 396 . 12 1 1 A 37 37 GLN CB C 37 30.567 31.896 -1.329 1
1 398 . 12 1 1 A 37 37 GLN N N 37 121.687 120.304 1.383 1
1 400 . 12 1 1 A 38 38 GLN H H 38 8.517 8.526 -0.009 1
1 401 . 12 1 1 A 38 38 GLN HA H 38 3.378 4.010 -0.632 1
1 408 . 12 1 1 A 38 38 GLN C C 38 176.738 176.384 0.354 1
1 409 . 12 1 1 A 38 38 GLN CA C 38 58.584 56.936 1.648 1
1 410 . 12 1 1 A 38 38 GLN CB C 38 28.151 28.752 -0.601 1
1 412 . 12 1 1 A 38 38 GLN N N 38 120.664 121.754 -1.090 1
1 414 . 12 1 1 A 39 39 ALA H H 39 9.200 9.780 -0.580 1
1 415 . 12 1 1 A 39 39 ALA HA H 39 3.948 3.873 0.075 1
1 419 . 12 1 1 A 39 39 ALA C C 39 177.251 175.731 1.520 1
1 420 . 12 1 1 A 39 39 ALA CA C 39 54.731 53.183 1.548 1
1 421 . 12 1 1 A 39 39 ALA CB C 39 17.134 17.434 -0.300 1
1 422 . 12 1 1 A 39 39 ALA N N 39 123.253 123.628 -0.375 1
1 423 . 12 1 1 A 40 40 ASP H H 40 8.025 7.320 0.705 1
1 424 . 12 1 1 A 40 40 ASP HA H 40 4.498 5.085 -0.587 1
1 427 . 12 1 1 A 40 40 ASP C C 40 175.010 175.443 -0.433 1
1 428 . 12 1 1 A 40 40 ASP CA C 40 56.407 53.051 3.356 1
1 429 . 12 1 1 A 40 40 ASP CB C 40 41.713 43.246 -1.533 1
1 430 . 12 1 1 A 40 40 ASP N N 40 121.075 116.658 4.417 1
1 431 . 12 1 1 A 41 41 VAL H H 41 7.518 8.833 -1.315 1
1 432 . 12 1 1 A 41 41 VAL HA H 41 5.060 4.614 0.446 1
1 440 . 12 1 1 A 41 41 VAL C C 41 176.546 175.165 1.381 1
1 441 . 12 1 1 A 41 41 VAL CA C 41 61.818 61.728 0.090 1
1 442 . 12 1 1 A 41 41 VAL CB C 41 32.997 32.804 0.193 1
1 445 . 12 1 1 A 41 41 VAL N N 41 119.767 124.039 -4.272 1
1 446 . 12 1 1 A 42 42 VAL H H 42 9.086 8.512 0.574 1
1 447 . 12 1 1 A 42 42 VAL HA H 42 4.528 4.488 0.040 1
1 455 . 12 1 1 A 42 42 VAL C C 42 173.762 174.635 -0.873 1
1 456 . 12 1 1 A 42 42 VAL CA C 42 60.363 60.417 -0.054 1
1 457 . 12 1 1 A 42 42 VAL CB C 42 35.736 35.599 0.137 1
1 460 . 12 1 1 A 42 42 VAL N N 42 129.212 127.494 1.718 1
1 461 . 12 1 1 A 43 43 LEU H H 43 8.855 9.061 -0.206 1
1 462 . 12 1 1 A 43 43 LEU HA H 43 4.651 4.728 -0.077 1
1 472 . 12 1 1 A 43 43 LEU C C 43 175.853 175.575 0.278 1
1 473 . 12 1 1 A 43 43 LEU CA C 43 54.132 54.084 0.048 1
1 474 . 12 1 1 A 43 43 LEU CB C 43 44.039 43.120 0.919 1
1 478 . 12 1 1 A 43 43 LEU N N 43 128.624 130.131 -1.507 1
1 479 . 12 1 1 A 44 44 VAL H H 44 8.835 8.742 0.093 1
1 480 . 12 1 1 A 44 44 VAL HA H 44 3.837 4.410 -0.573 1
1 488 . 12 1 1 A 44 44 VAL C C 44 174.445 175.727 -1.282 1
1 489 . 12 1 1 A 44 44 VAL CA C 44 64.603 63.694 0.909 1
1 490 . 12 1 1 A 44 44 VAL CB C 44 32.325 32.165 0.160 1
1 493 . 12 1 1 A 44 44 VAL N N 44 126.525 127.838 -1.313 1
1 494 . 12 1 1 A 45 45 LEU H H 45 9.166 10.173 -1.007 1
1 495 . 12 1 1 A 45 45 LEU HA H 45 4.488 4.558 -0.070 1
1 505 . 12 1 1 A 45 45 LEU C C 45 177.820 176.430 1.390 1
1 506 . 12 1 1 A 45 45 LEU CA C 45 56.137 55.687 0.450 1
1 507 . 12 1 1 A 45 45 LEU CB C 45 43.957 43.650 0.307 1
1 511 . 12 1 1 A 45 45 LEU N N 45 127.543 126.836 0.707 1
1 512 . 12 1 1 A 46 46 GLN H H 46 8.074 7.591 0.483 1
1 513 . 12 1 1 A 46 46 GLN HA H 46 4.643 4.751 -0.108 1
1 520 . 12 1 1 A 46 46 GLN C C 46 173.225 174.623 -1.398 1
1 521 . 12 1 1 A 46 46 GLN CA C 46 55.277 54.422 0.855 1
1 522 . 12 1 1 A 46 46 GLN CB C 46 33.285 31.222 2.063 1
1 524 . 12 1 1 A 46 46 GLN N N 46 115.961 116.959 -0.998 1
1 526 . 12 1 1 A 47 47 GLN H H 47 8.683 8.984 -0.301 1
1 527 . 12 1 1 A 47 47 GLN HA H 47 5.194 4.820 0.374 1
1 534 . 12 1 1 A 47 47 GLN C C 47 174.366 174.779 -0.413 1
1 535 . 12 1 1 A 47 47 GLN CA C 47 55.243 55.657 -0.414 1
1 536 . 12 1 1 A 47 47 GLN CB C 47 31.473 29.695 1.778 1
1 538 . 12 1 1 A 47 47 GLN N N 47 121.742 124.187 -2.445 1
1 540 . 12 1 1 A 48 48 GLU H H 48 9.201 9.196 0.005 1
1 541 . 12 1 1 A 48 48 GLU HA H 48 4.669 5.081 -0.412 1
1 546 . 12 1 1 A 48 48 GLU C C 48 175.622 175.273 0.349 1
1 547 . 12 1 1 A 48 48 GLU CA C 48 56.134 54.864 1.270 1
1 548 . 12 1 1 A 48 48 GLU CB C 48 33.098 32.777 0.321 1
1 550 . 12 1 1 A 48 48 GLU N N 48 124.529 125.246 -0.717 1
1 551 . 12 1 1 A 49 49 ASP H H 49 9.177 8.926 0.251 1
1 552 . 12 1 1 A 49 49 ASP HA H 49 4.424 4.252 0.172 1
1 555 . 12 1 1 A 49 49 ASP C C 49 175.771 177.052 -1.281 1
1 556 . 12 1 1 A 49 49 ASP CA C 49 56.001 56.339 -0.338 1
1 557 . 12 1 1 A 49 49 ASP CB C 49 40.478 40.475 0.003 1
1 558 . 12 1 1 A 49 49 ASP N N 49 125.649 127.340 -1.691 1
1 559 . 12 1 1 A 50 50 GLY H H 50 8.750 8.785 -0.035 1
1 560 . 12 1 1 A 50 50 GLY HA2 H 50 4.266 3.988 0.278 1
1 561 . 12 1 1 A 50 50 GLY HA3 H 50 3.753 4.100 -0.347 1
1 562 . 12 1 1 A 50 50 GLY C C 50 174.455 173.710 0.745 1
1 563 . 12 1 1 A 50 50 GLY CA C 50 45.969 45.368 0.601 1
1 564 . 12 1 1 A 50 50 GLY N N 50 108.057 111.189 -3.132 1
1 565 . 12 1 1 A 51 51 TRP H H 51 8.427 8.798 -0.371 1
1 566 . 12 1 1 A 51 51 TRP HA H 51 4.877 5.293 -0.416 1
1 575 . 12 1 1 A 51 51 TRP C C 51 173.525 175.672 -2.147 1
1 576 . 12 1 1 A 51 51 TRP CA C 51 57.270 55.552 1.718 1
1 577 . 12 1 1 A 51 51 TRP CB C 51 32.690 33.985 -1.295 1
1 583 . 12 1 1 A 51 51 TRP N N 51 122.784 121.068 1.716 1
1 585 . 12 1 1 A 52 52 LEU H H 52 9.368 9.249 0.119 1
1 586 . 12 1 1 A 52 52 LEU HA H 52 4.987 4.840 0.147 1
1 596 . 12 1 1 A 52 52 LEU C C 52 173.005 174.394 -1.389 1
1 597 . 12 1 1 A 52 52 LEU CA C 52 52.634 52.844 -0.210 1
1 598 . 12 1 1 A 52 52 LEU CB C 52 43.833 42.923 0.910 1
1 602 . 12 1 1 A 52 52 LEU N N 52 121.750 123.331 -1.581 1
1 603 . 12 1 1 A 53 53 TYR H H 53 8.267 9.487 -1.220 1
1 604 . 12 1 1 A 53 53 TYR HA H 53 4.513 4.520 -0.007 1
1 611 . 12 1 1 A 53 53 TYR C C 53 176.111 175.171 0.940 1
1 612 . 12 1 1 A 53 53 TYR CA C 53 55.283 57.831 -2.548 1
1 613 . 12 1 1 A 53 53 TYR CB C 53 39.251 38.690 0.561 1
1 618 . 12 1 1 A 53 53 TYR N N 53 122.457 126.839 -4.382 1
1 619 . 12 1 1 A 54 54 GLY H H 54 8.238 7.827 0.411 1
1 620 . 12 1 1 A 54 54 GLY HA2 H 54 4.706 4.184 0.522 1
1 621 . 12 1 1 A 54 54 GLY HA3 H 54 3.802 4.396 -0.594 1
1 622 . 12 1 1 A 54 54 GLY C C 54 168.928 171.618 -2.690 1
1 623 . 12 1 1 A 54 54 GLY CA C 54 45.792 45.822 -0.030 1
1 624 . 12 1 1 A 54 54 GLY N N 54 112.598 112.090 0.508 1
1 625 . 12 1 1 A 55 55 GLU H H 55 8.400 9.280 -0.880 1
1 626 . 12 1 1 A 55 55 GLU HA H 55 4.718 5.061 -0.343 1
1 631 . 12 1 1 A 55 55 GLU C C 55 175.540 175.409 0.131 1
1 632 . 12 1 1 A 55 55 GLU CA C 55 53.268 54.808 -1.540 1
1 633 . 12 1 1 A 55 55 GLU CB C 55 34.264 33.226 1.038 1
1 635 . 12 1 1 A 55 55 GLU N N 55 118.345 120.618 -2.273 1
1 636 . 12 1 1 A 56 56 ARG H H 56 9.654 9.348 0.306 1
1 637 . 12 1 1 A 56 56 ARG HA H 56 4.309 4.365 -0.056 1
1 645 . 12 1 1 A 56 56 ARG C C 56 176.838 176.636 0.202 1
1 646 . 12 1 1 A 56 56 ARG CA C 56 57.492 56.681 0.811 1
1 647 . 12 1 1 A 56 56 ARG CB C 56 30.854 30.678 0.176 1
1 650 . 12 1 1 A 56 56 ARG N N 56 129.571 127.924 1.647 1
1 652 . 12 1 1 A 57 57 LEU H H 57 8.195 8.261 -0.066 1
1 653 . 12 1 1 A 57 57 LEU HA H 57 4.021 4.138 -0.117 1
1 663 . 12 1 1 A 57 57 LEU C C 57 179.671 178.889 0.782 1
1 664 . 12 1 1 A 57 57 LEU CA C 57 58.338 56.861 1.477 1
1 665 . 12 1 1 A 57 57 LEU CB C 57 41.939 41.400 0.539 1
1 669 . 12 1 1 A 57 57 LEU N N 57 129.973 127.213 2.760 1
1 670 . 12 1 1 A 58 58 ARG H H 58 8.494 8.157 0.337 1
1 671 . 12 1 1 A 58 58 ARG HA H 58 4.112 3.995 0.117 1
1 678 . 12 1 1 A 58 58 ARG C C 58 176.402 178.056 -1.654 1
1 679 . 12 1 1 A 58 58 ARG CA C 58 59.139 59.598 -0.459 1
1 680 . 12 1 1 A 58 58 ARG CB C 58 30.106 30.125 -0.019 1
1 683 . 12 1 1 A 58 58 ARG N N 58 115.005 120.971 -5.966 1
1 684 . 12 1 1 A 59 59 ASP H H 59 7.392 8.050 -0.658 1
1 685 . 12 1 1 A 59 59 ASP HA H 59 4.803 4.755 0.048 1
1 688 . 12 1 1 A 59 59 ASP C C 59 176.801 176.376 0.425 1
1 689 . 12 1 1 A 59 59 ASP CA C 59 52.827 54.124 -1.297 1
1 690 . 12 1 1 A 59 59 ASP CB C 59 42.144 42.125 0.019 1
1 691 . 12 1 1 A 59 59 ASP N N 59 113.739 117.165 -3.426 1
1 692 . 12 1 1 A 60 60 GLY H H 60 8.435 8.302 0.133 1
1 693 . 12 1 1 A 60 60 GLY HA2 H 60 4.125 3.961 0.164 1
1 694 . 12 1 1 A 60 60 GLY HA3 H 60 3.868 3.973 -0.105 1
1 695 . 12 1 1 A 60 60 GLY C C 60 174.707 174.443 0.264 1
1 696 . 12 1 1 A 60 60 GLY CA C 60 45.917 44.998 0.919 1
1 697 . 12 1 1 A 60 60 GLY N N 60 110.642 107.657 2.985 1
1 698 . 12 1 1 A 61 61 GLU H H 61 7.527 7.881 -0.354 1
1 699 . 12 1 1 A 61 61 GLU HA H 61 4.163 4.320 -0.157 1
1 704 . 12 1 1 A 61 61 GLU C C 61 176.225 175.583 0.642 1
1 705 . 12 1 1 A 61 61 GLU CA C 61 58.222 57.475 0.747 1
1 706 . 12 1 1 A 61 61 GLU CB C 61 29.825 30.611 -0.786 1
1 708 . 12 1 1 A 61 61 GLU N N 61 123.061 121.115 1.946 1
1 709 . 12 1 1 A 62 62 THR H H 62 8.451 8.730 -0.279 1
1 710 . 12 1 1 A 62 62 THR HA H 62 5.666 5.028 0.638 1
1 715 . 12 1 1 A 62 62 THR C C 62 174.469 173.943 0.526 1
1 716 . 12 1 1 A 62 62 THR CA C 62 59.826 60.463 -0.637 1
1 717 . 12 1 1 A 62 62 THR CB C 62 72.751 69.924 2.827 1
1 719 . 12 1 1 A 62 62 THR N N 62 117.411 118.953 -1.542 1
1 720 . 12 1 1 A 63 63 GLY H H 63 7.931 8.187 -0.256 1
1 721 . 12 1 1 A 63 63 GLY HA2 H 63 4.124 4.419 -0.295 1
1 722 . 12 1 1 A 63 63 GLY HA3 H 63 3.936 4.508 -0.572 1
1 723 . 12 1 1 A 63 63 GLY C C 63 170.896 171.995 -1.099 1
1 724 . 12 1 1 A 63 63 GLY CA C 63 45.652 45.375 0.277 1
1 725 . 12 1 1 A 63 63 GLY N N 63 108.439 111.873 -3.434 1
1 726 . 12 1 1 A 64 64 TRP H H 64 9.071 9.661 -0.590 1
1 727 . 12 1 1 A 64 64 TRP HA H 64 6.061 5.705 0.356 1
1 736 . 12 1 1 A 64 64 TRP C C 64 177.395 176.197 1.198 1
1 737 . 12 1 1 A 64 64 TRP CA C 64 57.259 56.670 0.589 1
1 738 . 12 1 1 A 64 64 TRP CB C 64 31.882 31.085 0.797 1
1 744 . 12 1 1 A 64 64 TRP N N 64 119.762 120.462 -0.700 1
1 746 . 12 1 1 A 65 65 PHE H H 65 9.657 9.082 0.575 1
1 747 . 12 1 1 A 65 65 PHE HA H 65 4.823 5.113 -0.290 1
1 755 . 12 1 1 A 65 65 PHE C C 65 170.814 172.622 -1.808 1
1 756 . 12 1 1 A 65 65 PHE CA C 65 55.578 55.177 0.401 1
1 757 . 12 1 1 A 65 65 PHE CB C 65 38.245 41.345 -3.100 1
1 763 . 12 1 1 A 65 65 PHE N N 65 116.076 119.254 -3.178 1
1 764 . 12 1 1 A 66 66 PRO HA H 66 3.546 4.342 -0.796 1
1 771 . 12 1 1 A 66 66 PRO C C 66 177.963 177.874 0.089 1
1 772 . 12 1 1 A 66 66 PRO CA C 66 62.065 62.451 -0.386 1
1 773 . 12 1 1 A 66 66 PRO CB C 66 31.116 32.170 -1.054 1
1 776 . 12 1 1 A 67 67 GLU H H 67 8.081 8.609 -0.528 1
1 777 . 12 1 1 A 67 67 GLU HA H 67 3.651 4.210 -0.559 1
1 782 . 12 1 1 A 67 67 GLU C C 67 177.298 178.412 -1.114 1
1 783 . 12 1 1 A 67 67 GLU CA C 67 58.746 59.319 -0.573 1
1 784 . 12 1 1 A 67 67 GLU CB C 67 29.820 29.068 0.752 1
1 786 . 12 1 1 A 67 67 GLU N N 67 121.549 122.418 -0.869 1
1 787 . 12 1 1 A 68 68 ASP H H 68 8.456 8.277 0.179 1
1 788 . 12 1 1 A 68 68 ASP HA H 68 4.539 4.308 0.231 1
1 791 . 12 1 1 A 68 68 ASP C C 68 176.157 177.210 -1.053 1
1 792 . 12 1 1 A 68 68 ASP CA C 68 55.225 56.818 -1.593 1
1 793 . 12 1 1 A 68 68 ASP CB C 68 39.633 40.470 -0.837 1
1 794 . 12 1 1 A 68 68 ASP N N 68 113.915 120.339 -6.424 1
1 795 . 12 1 1 A 69 69 PHE H H 69 7.661 7.694 -0.033 1
1 796 . 12 1 1 A 69 69 PHE HA H 69 4.386 4.695 -0.309 1
1 803 . 12 1 1 A 69 69 PHE C C 69 173.252 174.481 -1.229 1
1 804 . 12 1 1 A 69 69 PHE CA C 69 57.758 57.282 0.476 1
1 805 . 12 1 1 A 69 69 PHE CB C 69 37.019 38.430 -1.411 1
1 810 . 12 1 1 A 69 69 PHE N N 69 119.727 114.804 4.923 1
1 811 . 12 1 1 A 70 70 ALA H H 70 7.809 7.981 -0.172 1
1 812 . 12 1 1 A 70 70 ALA HA H 70 5.256 4.710 0.546 1
1 816 . 12 1 1 A 70 70 ALA C C 70 175.703 175.279 0.424 1
1 817 . 12 1 1 A 70 70 ALA CA C 70 50.800 51.455 -0.655 1
1 818 . 12 1 1 A 70 70 ALA CB C 70 24.061 22.581 1.480 1
1 819 . 12 1 1 A 70 70 ALA N N 70 121.782 120.787 0.995 1
1 820 . 12 1 1 A 71 71 ARG H H 71 8.792 8.651 0.141 1
1 821 . 12 1 1 A 71 71 ARG HA H 71 4.828 5.052 -0.224 1
1 828 . 12 1 1 A 71 71 ARG C C 71 175.613 174.688 0.925 1
1 829 . 12 1 1 A 71 71 ARG CA C 71 54.220 54.480 -0.260 1
1 830 . 12 1 1 A 71 71 ARG CB C 71 33.286 33.683 -0.397 1
1 833 . 12 1 1 A 71 71 ARG N N 71 119.543 117.285 2.258 1
1 834 . 12 1 1 A 72 72 PHE H H 72 9.194 9.007 0.187 1
1 835 . 12 1 1 A 72 72 PHE HA H 72 4.604 4.446 0.158 1
1 843 . 12 1 1 A 72 72 PHE C C 72 176.818 175.958 0.860 1
1 844 . 12 1 1 A 72 72 PHE CA C 72 59.896 58.867 1.029 1
1 845 . 12 1 1 A 72 72 PHE CB C 72 39.079 38.800 0.279 1
1 851 . 12 1 1 A 72 72 PHE N N 72 125.006 122.724 2.282 1
1 852 . 12 1 1 A 73 73 ILE H H 73 8.574 8.375 0.199 1
1 853 . 12 1 1 A 73 73 ILE HA H 73 4.390 3.881 0.509 1
1 863 . 12 1 1 A 73 73 ILE C C 73 176.086 176.736 -0.650 1
1 864 . 12 1 1 A 73 73 ILE CA C 73 61.450 64.674 -3.224 1
1 865 . 12 1 1 A 73 73 ILE CB C 73 39.508 38.261 1.247 1
1 869 . 12 1 1 A 73 73 ILE N N 73 120.816 127.864 -7.048 1
1 870 . 12 1 1 A 74 74 SER H H 74 8.329 7.743 0.586 1
1 871 . 12 1 1 A 74 74 SER HA H 74 4.626 5.016 -0.390 1
1 874 . 12 1 1 A 74 74 SER C C 74 174.223 173.766 0.457 1
1 875 . 12 1 1 A 74 74 SER CA C 74 58.169 57.443 0.726 1
1 876 . 12 1 1 A 74 74 SER CB C 74 64.370 65.710 -1.340 1
1 877 . 12 1 1 A 74 74 SER N N 74 118.251 113.621 4.630 1
1 878 . 12 1 1 A 75 75 GLY H H 75 8.372 8.631 -0.259 1
1 879 . 12 1 1 A 75 75 GLY HA2 H 75 4.149 4.110 0.039 1
1 880 . 12 1 1 A 75 75 GLY HA3 H 75 4.149 4.204 -0.055 1
1 881 . 12 1 1 A 75 75 GLY C C 75 171.907 173.826 -1.919 1
1 882 . 12 1 1 A 75 75 GLY CA C 75 44.682 46.050 -1.368 1
1 883 . 12 1 1 A 75 75 GLY N N 75 109.951 113.030 -3.079 1
1 884 . 12 1 1 A 76 76 PRO HA H 76 4.456 4.591 -0.135 1
1 891 . 12 1 1 A 76 76 PRO CA C 76 63.394 62.406 0.988 1
1 892 . 12 1 1 A 76 76 PRO CB C 76 32.180 32.240 -0.060 1
1 1 . 13 1 1 A 6 6 SER HA H 6 4.486 4.514 -0.028 1
1 3 . 13 1 1 A 6 6 SER CA C 6 58.492 57.710 0.782 1
1 4 . 13 1 1 A 6 6 SER CB C 6 64.343 64.796 -0.453 1
1 5 . 13 1 1 A 7 7 GLY H H 7 8.044 8.517 -0.473 1
1 6 . 13 1 1 A 7 7 GLY HA2 H 7 4.458 4.132 0.326 1
1 7 . 13 1 1 A 7 7 GLY HA3 H 7 3.780 4.313 -0.533 1
1 8 . 13 1 1 A 7 7 GLY C C 7 174.131 172.287 1.844 1
1 9 . 13 1 1 A 7 7 GLY CA C 7 45.458 45.694 -0.236 1
1 10 . 13 1 1 A 7 7 GLY N N 7 116.867 107.957 8.910 1
1 11 . 13 1 1 A 8 8 TRP H H 8 8.111 8.602 -0.491 1
1 12 . 13 1 1 A 8 8 TRP HA H 8 4.626 4.764 -0.138 1
1 21 . 13 1 1 A 8 8 TRP C C 8 176.673 176.618 0.055 1
1 22 . 13 1 1 A 8 8 TRP CA C 8 57.729 56.649 1.080 1
1 23 . 13 1 1 A 8 8 TRP CB C 8 29.413 27.840 1.573 1
1 29 . 13 1 1 A 8 8 TRP N N 8 121.258 122.754 -1.496 1
1 31 . 13 1 1 A 9 9 GLN H H 9 8.229 7.911 0.318 1
1 32 . 13 1 1 A 9 9 GLN HA H 9 4.133 3.926 0.207 1
1 39 . 13 1 1 A 9 9 GLN C C 9 176.147 178.565 -2.418 1
1 40 . 13 1 1 A 9 9 GLN CA C 9 56.283 59.596 -3.313 1
1 41 . 13 1 1 A 9 9 GLN CB C 9 29.125 28.858 0.267 1
1 43 . 13 1 1 A 9 9 GLN N N 9 122.756 126.605 -3.849 1
1 45 . 13 1 1 A 10 10 GLY H H 10 7.500 8.199 -0.699 1
1 46 . 13 1 1 A 10 10 GLY HA2 H 10 3.744 4.101 -0.357 1
1 47 . 13 1 1 A 10 10 GLY HA3 H 10 3.714 4.113 -0.399 1
1 48 . 13 1 1 A 10 10 GLY C C 10 174.092 174.386 -0.294 1
1 49 . 13 1 1 A 10 10 GLY CA C 10 45.335 44.581 0.754 1
1 50 . 13 1 1 A 10 10 GLY N N 10 108.221 107.653 0.568 1
1 51 . 13 1 1 A 11 11 LEU H H 11 8.029 8.746 -0.717 1
1 52 . 13 1 1 A 11 11 LEU HA H 11 4.368 3.857 0.511 1
1 62 . 13 1 1 A 11 11 LEU C C 11 177.808 175.462 2.346 1
1 63 . 13 1 1 A 11 11 LEU CA C 11 55.348 55.915 -0.567 1
1 64 . 13 1 1 A 11 11 LEU CB C 11 42.515 40.628 1.887 1
1 68 . 13 1 1 A 11 11 LEU N N 11 121.136 119.586 1.550 1
1 69 . 13 1 1 A 12 12 SER H H 12 8.388 8.088 0.300 1
1 70 . 13 1 1 A 12 12 SER HA H 12 4.370 4.712 -0.342 1
1 73 . 13 1 1 A 12 12 SER CA C 12 58.716 57.456 1.260 1
1 74 . 13 1 1 A 12 12 SER CB C 12 63.835 61.978 1.857 1
1 75 . 13 1 1 A 12 12 SER N N 12 116.252 114.964 1.288 1
1 76 . 13 1 1 A 13 13 SER HA H 13 4.481 4.918 -0.437 1
1 79 . 13 1 1 A 13 13 SER C C 13 175.161 172.352 2.809 1
1 80 . 13 1 1 A 13 13 SER CA C 13 58.442 57.932 0.510 1
1 81 . 13 1 1 A 13 13 SER CB C 13 63.798 63.937 -0.139 1
1 82 . 13 1 1 A 14 14 LYS H H 14 8.372 8.832 -0.460 1
1 83 . 13 1 1 A 14 14 LYS HA H 14 4.226 5.045 -0.819 1
1 92 . 13 1 1 A 14 14 LYS C C 14 177.249 175.460 1.789 1
1 93 . 13 1 1 A 14 14 LYS CA C 14 57.303 55.101 2.202 1
1 94 . 13 1 1 A 14 14 LYS CB C 14 32.694 36.392 -3.698 1
1 98 . 13 1 1 A 14 14 LYS N N 14 123.245 126.856 -3.611 1
1 99 . 13 1 1 A 15 15 GLY H H 15 8.213 8.361 -0.148 1
1 100 . 13 1 1 A 15 15 GLY HA2 H 15 3.924 4.184 -0.260 1
1 101 . 13 1 1 A 15 15 GLY HA3 H 15 3.924 4.185 -0.261 1
1 102 . 13 1 1 A 15 15 GLY C C 15 173.863 172.096 1.767 1
1 103 . 13 1 1 A 15 15 GLY CA C 15 45.599 46.040 -0.441 1
1 104 . 13 1 1 A 15 15 GLY N N 15 107.368 111.370 -4.002 1
1 105 . 13 1 1 A 16 16 ASP H H 16 8.091 8.377 -0.286 1
1 106 . 13 1 1 A 16 16 ASP HA H 16 4.711 4.984 -0.273 1
1 109 . 13 1 1 A 16 16 ASP C C 16 176.074 175.130 0.944 1
1 110 . 13 1 1 A 16 16 ASP CA C 16 54.167 53.191 0.976 1
1 111 . 13 1 1 A 16 16 ASP CB C 16 41.155 41.425 -0.270 1
1 112 . 13 1 1 A 16 16 ASP N N 16 119.368 124.516 -5.148 1
1 113 . 13 1 1 A 17 17 LEU H H 17 7.757 8.211 -0.454 1
1 114 . 13 1 1 A 17 17 LEU HA H 17 4.641 4.503 0.138 1
1 124 . 13 1 1 A 17 17 LEU C C 17 174.627 174.614 0.013 1
1 125 . 13 1 1 A 17 17 LEU CA C 17 53.286 53.511 -0.225 1
1 126 . 13 1 1 A 17 17 LEU CB C 17 41.003 40.778 0.225 1
1 130 . 13 1 1 A 17 17 LEU N N 17 122.770 124.969 -2.199 1
1 131 . 13 1 1 A 18 18 PRO HA H 18 4.619 4.842 -0.223 1
1 138 . 13 1 1 A 18 18 PRO C C 18 175.014 175.990 -0.976 1
1 139 . 13 1 1 A 18 18 PRO CA C 18 62.756 62.596 0.160 1
1 140 . 13 1 1 A 18 18 PRO CB C 18 32.631 32.847 -0.216 1
1 143 . 13 1 1 A 19 19 GLN H H 19 8.295 8.357 -0.062 1
1 144 . 13 1 1 A 19 19 GLN HA H 19 5.396 4.930 0.466 1
1 151 . 13 1 1 A 19 19 GLN C C 19 176.012 174.951 1.061 1
1 152 . 13 1 1 A 19 19 GLN CA C 19 54.094 54.171 -0.077 1
1 153 . 13 1 1 A 19 19 GLN CB C 19 32.478 32.165 0.313 1
1 155 . 13 1 1 A 19 19 GLN N N 19 117.612 119.596 -1.984 1
1 157 . 13 1 1 A 20 20 VAL H H 20 9.005 8.311 0.694 1
1 158 . 13 1 1 A 20 20 VAL HA H 20 5.133 4.774 0.359 1
1 166 . 13 1 1 A 20 20 VAL C C 20 173.875 173.654 0.221 1
1 167 . 13 1 1 A 20 20 VAL CA C 20 57.486 59.188 -1.702 1
1 168 . 13 1 1 A 20 20 VAL CB C 20 35.076 35.601 -0.525 1
1 171 . 13 1 1 A 20 20 VAL N N 20 112.092 118.126 -6.034 1
1 172 . 13 1 1 A 21 21 GLU H H 21 8.901 8.366 0.535 1
1 173 . 13 1 1 A 21 21 GLU HA H 21 5.199 4.985 0.214 1
1 178 . 13 1 1 A 21 21 GLU C C 21 175.780 175.727 0.053 1
1 179 . 13 1 1 A 21 21 GLU CA C 21 53.268 55.069 -1.801 1
1 180 . 13 1 1 A 21 21 GLU CB C 21 32.997 31.448 1.549 1
1 182 . 13 1 1 A 21 21 GLU N N 21 119.970 123.789 -3.819 1
1 183 . 13 1 1 A 22 22 ILE H H 22 8.656 9.333 -0.677 1
1 184 . 13 1 1 A 22 22 ILE HA H 22 4.742 4.333 0.409 1
1 194 . 13 1 1 A 22 22 ILE C C 22 179.107 177.969 1.138 1
1 195 . 13 1 1 A 22 22 ILE CA C 22 58.064 62.159 -4.095 1
1 196 . 13 1 1 A 22 22 ILE CB C 22 34.481 37.237 -2.756 1
1 200 . 13 1 1 A 22 22 ILE N N 22 125.654 127.943 -2.289 1
1 201 . 13 1 1 A 23 23 THR H H 23 9.206 8.648 0.558 1
1 202 . 13 1 1 A 23 23 THR HA H 23 4.230 4.264 -0.034 1
1 207 . 13 1 1 A 23 23 THR C C 23 174.481 174.471 0.010 1
1 208 . 13 1 1 A 23 23 THR CA C 23 62.787 64.059 -1.272 1
1 209 . 13 1 1 A 23 23 THR CB C 23 68.779 69.149 -0.370 1
1 211 . 13 1 1 A 23 23 THR N N 23 122.259 119.501 2.758 1
1 212 . 13 1 1 A 24 24 LYS H H 24 7.443 7.544 -0.101 1
1 213 . 13 1 1 A 24 24 LYS HA H 24 4.332 4.976 -0.644 1
1 222 . 13 1 1 A 24 24 LYS C C 24 172.169 175.668 -3.499 1
1 223 . 13 1 1 A 24 24 LYS CA C 24 55.154 54.478 0.676 1
1 224 . 13 1 1 A 24 24 LYS CB C 24 35.137 35.567 -0.430 1
1 228 . 13 1 1 A 24 24 LYS N N 24 121.874 118.206 3.668 1
1 229 . 13 1 1 A 25 25 ALA H H 25 8.259 8.571 -0.312 1
1 230 . 13 1 1 A 25 25 ALA HA H 25 3.914 4.678 -0.764 1
1 234 . 13 1 1 A 25 25 ALA C C 25 176.411 176.400 0.011 1
1 235 . 13 1 1 A 25 25 ALA CA C 25 53.409 52.653 0.756 1
1 236 . 13 1 1 A 25 25 ALA CB C 25 19.113 18.818 0.295 1
1 237 . 13 1 1 A 25 25 ALA N N 25 121.708 124.240 -2.532 1
1 238 . 13 1 1 A 26 26 PHE H H 26 8.058 8.643 -0.585 1
1 239 . 13 1 1 A 26 26 PHE HA H 26 4.742 4.803 -0.061 1
1 247 . 13 1 1 A 26 26 PHE C C 26 172.769 173.712 -0.943 1
1 248 . 13 1 1 A 26 26 PHE CA C 26 56.354 57.343 -0.989 1
1 249 . 13 1 1 A 26 26 PHE CB C 26 42.608 41.441 1.167 1
1 255 . 13 1 1 A 26 26 PHE N N 26 121.151 125.728 -4.577 1
1 256 . 13 1 1 A 27 27 PHE H H 27 7.752 8.585 -0.833 1
1 257 . 13 1 1 A 27 27 PHE HA H 27 4.469 4.770 -0.301 1
1 265 . 13 1 1 A 27 27 PHE C C 27 173.594 175.261 -1.667 1
1 266 . 13 1 1 A 27 27 PHE CA C 27 56.088 56.380 -0.292 1
1 267 . 13 1 1 A 27 27 PHE CB C 27 39.425 39.451 -0.026 1
1 273 . 13 1 1 A 27 27 PHE N N 27 125.818 125.532 0.286 1
1 274 . 13 1 1 A 28 28 ALA H H 28 8.045 8.130 -0.085 1
1 275 . 13 1 1 A 28 28 ALA HA H 28 4.002 4.195 -0.193 1
1 279 . 13 1 1 A 28 28 ALA C C 28 178.303 176.834 1.469 1
1 280 . 13 1 1 A 28 28 ALA CA C 28 52.898 53.090 -0.192 1
1 281 . 13 1 1 A 28 28 ALA CB C 28 20.853 19.261 1.592 1
1 282 . 13 1 1 A 28 28 ALA N N 28 126.105 127.293 -1.188 1
1 283 . 13 1 1 A 29 29 LYS H H 29 9.282 10.083 -0.801 1
1 284 . 13 1 1 A 29 29 LYS HA H 29 4.524 4.640 -0.116 1
1 293 . 13 1 1 A 29 29 LYS C C 29 176.347 176.292 0.055 1
1 294 . 13 1 1 A 29 29 LYS CA C 29 56.187 56.665 -0.478 1
1 295 . 13 1 1 A 29 29 LYS CB C 29 34.585 34.893 -0.308 1
1 299 . 13 1 1 A 29 29 LYS N N 29 120.760 121.962 -1.202 1
1 300 . 13 1 1 A 30 30 GLN H H 30 7.738 7.741 -0.003 1
1 301 . 13 1 1 A 30 30 GLN HA H 30 4.657 4.556 0.101 1
1 308 . 13 1 1 A 30 30 GLN C C 30 177.059 176.769 0.290 1
1 309 . 13 1 1 A 30 30 GLN CA C 30 53.885 54.403 -0.518 1
1 310 . 13 1 1 A 30 30 GLN CB C 30 31.349 30.285 1.064 1
1 312 . 13 1 1 A 30 30 GLN N N 30 116.957 117.303 -0.346 1
1 314 . 13 1 1 A 31 31 ALA H H 31 8.719 8.434 0.285 1
1 315 . 13 1 1 A 31 31 ALA HA H 31 4.189 4.140 0.049 1
1 319 . 13 1 1 A 31 31 ALA C C 31 177.686 177.091 0.595 1
1 320 . 13 1 1 A 31 31 ALA CA C 31 54.960 53.439 1.521 1
1 321 . 13 1 1 A 31 31 ALA CB C 31 18.859 19.111 -0.252 1
1 322 . 13 1 1 A 31 31 ALA N N 31 122.985 123.310 -0.325 1
1 323 . 13 1 1 A 32 32 ASP H H 32 8.436 7.971 0.465 1
1 324 . 13 1 1 A 32 32 ASP HA H 32 4.904 4.885 0.019 1
1 327 . 13 1 1 A 32 32 ASP C C 32 176.845 174.755 2.090 1
1 328 . 13 1 1 A 32 32 ASP CA C 32 54.044 53.796 0.248 1
1 329 . 13 1 1 A 32 32 ASP CB C 32 40.166 41.050 -0.884 1
1 330 . 13 1 1 A 32 32 ASP N N 32 113.224 117.297 -4.073 1
1 331 . 13 1 1 A 33 33 GLU H H 33 7.632 7.916 -0.284 1
1 332 . 13 1 1 A 33 33 GLU HA H 33 5.578 5.214 0.364 1
1 337 . 13 1 1 A 33 33 GLU C C 33 175.518 174.782 0.736 1
1 338 . 13 1 1 A 33 33 GLU CA C 33 55.437 54.847 0.590 1
1 339 . 13 1 1 A 33 33 GLU CB C 33 33.079 34.467 -1.388 1
1 341 . 13 1 1 A 33 33 GLU N N 33 119.902 117.541 2.361 1
1 342 . 13 1 1 A 34 34 VAL H H 34 8.311 9.168 -0.857 1
1 343 . 13 1 1 A 34 34 VAL HA H 34 4.791 5.006 -0.215 1
1 351 . 13 1 1 A 34 34 VAL C C 34 171.861 174.199 -2.338 1
1 352 . 13 1 1 A 34 34 VAL CA C 34 58.152 59.914 -1.762 1
1 353 . 13 1 1 A 34 34 VAL CB C 34 35.881 35.607 0.274 1
1 356 . 13 1 1 A 34 34 VAL N N 34 119.872 120.777 -0.905 1
1 357 . 13 1 1 A 35 35 THR H H 35 8.047 8.737 -0.690 1
1 358 . 13 1 1 A 35 35 THR HA H 35 4.559 4.902 -0.343 1
1 363 . 13 1 1 A 35 35 THR C C 35 174.643 173.950 0.693 1
1 364 . 13 1 1 A 35 35 THR CA C 35 62.859 62.613 0.246 1
1 365 . 13 1 1 A 35 35 THR CB C 35 69.626 69.627 -0.001 1
1 367 . 13 1 1 A 35 35 THR N N 35 123.767 122.999 0.768 1
1 368 . 13 1 1 A 36 36 LEU H H 36 9.001 8.668 0.333 1
1 369 . 13 1 1 A 36 36 LEU HA H 36 4.571 5.039 -0.468 1
1 379 . 13 1 1 A 36 36 LEU C C 36 176.087 175.671 0.416 1
1 380 . 13 1 1 A 36 36 LEU CA C 36 53.374 53.725 -0.351 1
1 381 . 13 1 1 A 36 36 LEU CB C 36 47.954 46.118 1.836 1
1 385 . 13 1 1 A 36 36 LEU N N 36 127.439 126.221 1.218 1
1 386 . 13 1 1 A 37 37 GLN H H 37 8.889 8.601 0.288 1
1 387 . 13 1 1 A 37 37 GLN HA H 37 4.298 4.773 -0.475 1
1 394 . 13 1 1 A 37 37 GLN C C 37 175.508 175.004 0.504 1
1 395 . 13 1 1 A 37 37 GLN CA C 37 53.621 53.986 -0.365 1
1 396 . 13 1 1 A 37 37 GLN CB C 37 30.567 31.896 -1.329 1
1 398 . 13 1 1 A 37 37 GLN N N 37 121.687 119.936 1.751 1
1 400 . 13 1 1 A 38 38 GLN H H 38 8.517 8.551 -0.034 1
1 401 . 13 1 1 A 38 38 GLN HA H 38 3.378 3.966 -0.588 1
1 408 . 13 1 1 A 38 38 GLN C C 38 176.738 176.392 0.346 1
1 409 . 13 1 1 A 38 38 GLN CA C 38 58.584 57.101 1.483 1
1 410 . 13 1 1 A 38 38 GLN CB C 38 28.151 28.572 -0.421 1
1 412 . 13 1 1 A 38 38 GLN N N 38 120.664 121.962 -1.298 1
1 414 . 13 1 1 A 39 39 ALA H H 39 9.200 9.918 -0.718 1
1 415 . 13 1 1 A 39 39 ALA HA H 39 3.948 3.866 0.082 1
1 419 . 13 1 1 A 39 39 ALA C C 39 177.251 175.641 1.610 1
1 420 . 13 1 1 A 39 39 ALA CA C 39 54.731 53.186 1.545 1
1 421 . 13 1 1 A 39 39 ALA CB C 39 17.134 17.385 -0.251 1
1 422 . 13 1 1 A 39 39 ALA N N 39 123.253 123.654 -0.401 1
1 423 . 13 1 1 A 40 40 ASP H H 40 8.025 7.259 0.766 1
1 424 . 13 1 1 A 40 40 ASP HA H 40 4.498 5.144 -0.646 1
1 427 . 13 1 1 A 40 40 ASP C C 40 175.010 174.948 0.062 1
1 428 . 13 1 1 A 40 40 ASP CA C 40 56.407 53.040 3.367 1
1 429 . 13 1 1 A 40 40 ASP CB C 40 41.713 43.084 -1.371 1
1 430 . 13 1 1 A 40 40 ASP N N 40 121.075 115.992 5.083 1
1 431 . 13 1 1 A 41 41 VAL H H 41 7.518 8.781 -1.263 1
1 432 . 13 1 1 A 41 41 VAL HA H 41 5.060 4.605 0.455 1
1 440 . 13 1 1 A 41 41 VAL C C 41 176.546 175.102 1.444 1
1 441 . 13 1 1 A 41 41 VAL CA C 41 61.818 61.699 0.119 1
1 442 . 13 1 1 A 41 41 VAL CB C 41 32.997 32.911 0.086 1
1 445 . 13 1 1 A 41 41 VAL N N 41 119.767 123.198 -3.431 1
1 446 . 13 1 1 A 42 42 VAL H H 42 9.086 8.379 0.707 1
1 447 . 13 1 1 A 42 42 VAL HA H 42 4.528 4.409 0.119 1
1 455 . 13 1 1 A 42 42 VAL C C 42 173.762 174.623 -0.861 1
1 456 . 13 1 1 A 42 42 VAL CA C 42 60.363 60.745 -0.382 1
1 457 . 13 1 1 A 42 42 VAL CB C 42 35.736 35.452 0.284 1
1 460 . 13 1 1 A 42 42 VAL N N 42 129.212 127.393 1.819 1
1 461 . 13 1 1 A 43 43 LEU H H 43 8.855 9.006 -0.151 1
1 462 . 13 1 1 A 43 43 LEU HA H 43 4.651 4.730 -0.079 1
1 472 . 13 1 1 A 43 43 LEU C C 43 175.853 175.514 0.339 1
1 473 . 13 1 1 A 43 43 LEU CA C 43 54.132 54.084 0.048 1
1 474 . 13 1 1 A 43 43 LEU CB C 43 44.039 43.153 0.886 1
1 478 . 13 1 1 A 43 43 LEU N N 43 128.624 130.104 -1.480 1
1 479 . 13 1 1 A 44 44 VAL H H 44 8.835 8.841 -0.006 1
1 480 . 13 1 1 A 44 44 VAL HA H 44 3.837 4.304 -0.467 1
1 488 . 13 1 1 A 44 44 VAL C C 44 174.445 175.664 -1.219 1
1 489 . 13 1 1 A 44 44 VAL CA C 44 64.603 63.952 0.651 1
1 490 . 13 1 1 A 44 44 VAL CB C 44 32.325 32.095 0.230 1
1 493 . 13 1 1 A 44 44 VAL N N 44 126.525 127.992 -1.467 1
1 494 . 13 1 1 A 45 45 LEU H H 45 9.166 10.102 -0.936 1
1 495 . 13 1 1 A 45 45 LEU HA H 45 4.488 4.427 0.061 1
1 505 . 13 1 1 A 45 45 LEU C C 45 177.820 176.407 1.413 1
1 506 . 13 1 1 A 45 45 LEU CA C 45 56.137 55.680 0.457 1
1 507 . 13 1 1 A 45 45 LEU CB C 45 43.957 43.182 0.775 1
1 511 . 13 1 1 A 45 45 LEU N N 45 127.543 126.984 0.559 1
1 512 . 13 1 1 A 46 46 GLN H H 46 8.074 7.732 0.342 1
1 513 . 13 1 1 A 46 46 GLN HA H 46 4.643 4.718 -0.075 1
1 520 . 13 1 1 A 46 46 GLN C C 46 173.225 174.541 -1.316 1
1 521 . 13 1 1 A 46 46 GLN CA C 46 55.277 54.321 0.956 1
1 522 . 13 1 1 A 46 46 GLN CB C 46 33.285 30.719 2.566 1
1 524 . 13 1 1 A 46 46 GLN N N 46 115.961 117.048 -1.087 1
1 526 . 13 1 1 A 47 47 GLN H H 47 8.683 8.903 -0.220 1
1 527 . 13 1 1 A 47 47 GLN HA H 47 5.194 4.814 0.380 1
1 534 . 13 1 1 A 47 47 GLN C C 47 174.366 174.825 -0.459 1
1 535 . 13 1 1 A 47 47 GLN CA C 47 55.243 55.789 -0.546 1
1 536 . 13 1 1 A 47 47 GLN CB C 47 31.473 29.692 1.781 1
1 538 . 13 1 1 A 47 47 GLN N N 47 121.742 123.853 -2.111 1
1 540 . 13 1 1 A 48 48 GLU H H 48 9.201 9.043 0.158 1
1 541 . 13 1 1 A 48 48 GLU HA H 48 4.669 5.037 -0.368 1
1 546 . 13 1 1 A 48 48 GLU C C 48 175.622 175.244 0.378 1
1 547 . 13 1 1 A 48 48 GLU CA C 48 56.134 54.845 1.289 1
1 548 . 13 1 1 A 48 48 GLU CB C 48 33.098 33.447 -0.349 1
1 550 . 13 1 1 A 48 48 GLU N N 48 124.529 125.608 -1.079 1
1 551 . 13 1 1 A 49 49 ASP H H 49 9.177 8.830 0.347 1
1 552 . 13 1 1 A 49 49 ASP HA H 49 4.424 4.439 -0.015 1
1 555 . 13 1 1 A 49 49 ASP C C 49 175.771 176.858 -1.087 1
1 556 . 13 1 1 A 49 49 ASP CA C 49 56.001 55.608 0.393 1
1 557 . 13 1 1 A 49 49 ASP CB C 49 40.478 40.536 -0.058 1
1 558 . 13 1 1 A 49 49 ASP N N 49 125.649 125.800 -0.151 1
1 559 . 13 1 1 A 50 50 GLY H H 50 8.750 8.736 0.014 1
1 560 . 13 1 1 A 50 50 GLY HA2 H 50 4.266 3.974 0.292 1
1 561 . 13 1 1 A 50 50 GLY HA3 H 50 3.753 4.087 -0.334 1
1 562 . 13 1 1 A 50 50 GLY C C 50 174.455 173.347 1.108 1
1 563 . 13 1 1 A 50 50 GLY CA C 50 45.969 45.203 0.766 1
1 564 . 13 1 1 A 50 50 GLY N N 50 108.057 113.670 -5.613 1
1 565 . 13 1 1 A 51 51 TRP H H 51 8.427 7.879 0.548 1
1 566 . 13 1 1 A 51 51 TRP HA H 51 4.877 5.253 -0.376 1
1 575 . 13 1 1 A 51 51 TRP C C 51 173.525 175.560 -2.035 1
1 576 . 13 1 1 A 51 51 TRP CA C 51 57.270 55.520 1.750 1
1 577 . 13 1 1 A 51 51 TRP CB C 51 32.690 34.110 -1.420 1
1 583 . 13 1 1 A 51 51 TRP N N 51 122.784 120.651 2.133 1
1 585 . 13 1 1 A 52 52 LEU H H 52 9.368 9.333 0.035 1
1 586 . 13 1 1 A 52 52 LEU HA H 52 4.987 4.821 0.166 1
1 596 . 13 1 1 A 52 52 LEU C C 52 173.005 174.661 -1.656 1
1 597 . 13 1 1 A 52 52 LEU CA C 52 52.634 52.980 -0.346 1
1 598 . 13 1 1 A 52 52 LEU CB C 52 43.833 42.729 1.104 1
1 602 . 13 1 1 A 52 52 LEU N N 52 121.750 123.259 -1.509 1
1 603 . 13 1 1 A 53 53 TYR H H 53 8.267 9.383 -1.116 1
1 604 . 13 1 1 A 53 53 TYR HA H 53 4.513 4.517 -0.004 1
1 611 . 13 1 1 A 53 53 TYR C C 53 176.111 175.015 1.096 1
1 612 . 13 1 1 A 53 53 TYR CA C 53 55.283 57.930 -2.647 1
1 613 . 13 1 1 A 53 53 TYR CB C 53 39.251 38.650 0.601 1
1 618 . 13 1 1 A 53 53 TYR N N 53 122.457 126.833 -4.376 1
1 619 . 13 1 1 A 54 54 GLY H H 54 8.238 7.812 0.426 1
1 620 . 13 1 1 A 54 54 GLY HA2 H 54 4.706 4.105 0.601 1
1 621 . 13 1 1 A 54 54 GLY HA3 H 54 3.802 4.355 -0.553 1
1 622 . 13 1 1 A 54 54 GLY C C 54 168.928 171.572 -2.644 1
1 623 . 13 1 1 A 54 54 GLY CA C 54 45.792 45.678 0.114 1
1 624 . 13 1 1 A 54 54 GLY N N 54 112.598 112.133 0.465 1
1 625 . 13 1 1 A 55 55 GLU H H 55 8.400 9.292 -0.892 1
1 626 . 13 1 1 A 55 55 GLU HA H 55 4.718 5.055 -0.337 1
1 631 . 13 1 1 A 55 55 GLU C C 55 175.540 175.459 0.081 1
1 632 . 13 1 1 A 55 55 GLU CA C 55 53.268 54.718 -1.450 1
1 633 . 13 1 1 A 55 55 GLU CB C 55 34.264 32.925 1.339 1
1 635 . 13 1 1 A 55 55 GLU N N 55 118.345 120.619 -2.274 1
1 636 . 13 1 1 A 56 56 ARG H H 56 9.654 9.677 -0.023 1
1 637 . 13 1 1 A 56 56 ARG HA H 56 4.309 4.343 -0.034 1
1 645 . 13 1 1 A 56 56 ARG C C 56 176.838 177.010 -0.172 1
1 646 . 13 1 1 A 56 56 ARG CA C 56 57.492 56.762 0.730 1
1 647 . 13 1 1 A 56 56 ARG CB C 56 30.854 30.905 -0.051 1
1 650 . 13 1 1 A 56 56 ARG N N 56 129.571 128.044 1.527 1
1 652 . 13 1 1 A 57 57 LEU H H 57 8.195 8.337 -0.142 1
1 653 . 13 1 1 A 57 57 LEU HA H 57 4.021 4.035 -0.014 1
1 663 . 13 1 1 A 57 57 LEU C C 57 179.671 178.621 1.050 1
1 664 . 13 1 1 A 57 57 LEU CA C 57 58.338 57.615 0.723 1
1 665 . 13 1 1 A 57 57 LEU CB C 57 41.939 41.272 0.667 1
1 669 . 13 1 1 A 57 57 LEU N N 57 129.973 127.088 2.885 1
1 670 . 13 1 1 A 58 58 ARG H H 58 8.494 8.070 0.424 1
1 671 . 13 1 1 A 58 58 ARG HA H 58 4.112 3.963 0.149 1
1 678 . 13 1 1 A 58 58 ARG C C 58 176.402 177.875 -1.473 1
1 679 . 13 1 1 A 58 58 ARG CA C 58 59.139 59.686 -0.547 1
1 680 . 13 1 1 A 58 58 ARG CB C 58 30.106 30.204 -0.098 1
1 683 . 13 1 1 A 58 58 ARG N N 58 115.005 120.857 -5.852 1
1 684 . 13 1 1 A 59 59 ASP H H 59 7.392 8.136 -0.744 1
1 685 . 13 1 1 A 59 59 ASP HA H 59 4.803 4.711 0.092 1
1 688 . 13 1 1 A 59 59 ASP C C 59 176.801 176.323 0.478 1
1 689 . 13 1 1 A 59 59 ASP CA C 59 52.827 54.386 -1.559 1
1 690 . 13 1 1 A 59 59 ASP CB C 59 42.144 42.233 -0.089 1
1 691 . 13 1 1 A 59 59 ASP N N 59 113.739 117.213 -3.474 1
1 692 . 13 1 1 A 60 60 GLY H H 60 8.435 8.214 0.221 1
1 693 . 13 1 1 A 60 60 GLY HA2 H 60 4.125 4.031 0.094 1
1 694 . 13 1 1 A 60 60 GLY HA3 H 60 3.868 4.056 -0.188 1
1 695 . 13 1 1 A 60 60 GLY C C 60 174.707 174.591 0.116 1
1 696 . 13 1 1 A 60 60 GLY CA C 60 45.917 45.091 0.826 1
1 697 . 13 1 1 A 60 60 GLY N N 60 110.642 105.802 4.840 1
1 698 . 13 1 1 A 61 61 GLU H H 61 7.527 7.866 -0.339 1
1 699 . 13 1 1 A 61 61 GLU HA H 61 4.163 4.389 -0.226 1
1 704 . 13 1 1 A 61 61 GLU C C 61 176.225 175.935 0.290 1
1 705 . 13 1 1 A 61 61 GLU CA C 61 58.222 57.239 0.983 1
1 706 . 13 1 1 A 61 61 GLU CB C 61 29.825 30.124 -0.299 1
1 708 . 13 1 1 A 61 61 GLU N N 61 123.061 120.685 2.376 1
1 709 . 13 1 1 A 62 62 THR H H 62 8.451 8.895 -0.444 1
1 710 . 13 1 1 A 62 62 THR HA H 62 5.666 5.134 0.532 1
1 715 . 13 1 1 A 62 62 THR C C 62 174.469 173.931 0.538 1
1 716 . 13 1 1 A 62 62 THR CA C 62 59.826 60.503 -0.677 1
1 717 . 13 1 1 A 62 62 THR CB C 62 72.751 69.672 3.079 1
1 719 . 13 1 1 A 62 62 THR N N 62 117.411 120.777 -3.366 1
1 720 . 13 1 1 A 63 63 GLY H H 63 7.931 8.175 -0.244 1
1 721 . 13 1 1 A 63 63 GLY HA2 H 63 4.124 4.435 -0.311 1
1 722 . 13 1 1 A 63 63 GLY HA3 H 63 3.936 4.527 -0.591 1
1 723 . 13 1 1 A 63 63 GLY C C 63 170.896 171.950 -1.054 1
1 724 . 13 1 1 A 63 63 GLY CA C 63 45.652 45.391 0.261 1
1 725 . 13 1 1 A 63 63 GLY N N 63 108.439 112.058 -3.619 1
1 726 . 13 1 1 A 64 64 TRP H H 64 9.071 8.877 0.194 1
1 727 . 13 1 1 A 64 64 TRP HA H 64 6.061 5.615 0.446 1
1 736 . 13 1 1 A 64 64 TRP C C 64 177.395 176.431 0.964 1
1 737 . 13 1 1 A 64 64 TRP CA C 64 57.259 56.843 0.416 1
1 738 . 13 1 1 A 64 64 TRP CB C 64 31.882 30.994 0.888 1
1 744 . 13 1 1 A 64 64 TRP N N 64 119.762 120.668 -0.906 1
1 746 . 13 1 1 A 65 65 PHE H H 65 9.657 8.979 0.678 1
1 747 . 13 1 1 A 65 65 PHE HA H 65 4.823 5.495 -0.672 1
1 755 . 13 1 1 A 65 65 PHE C C 65 170.814 172.989 -2.175 1
1 756 . 13 1 1 A 65 65 PHE CA C 65 55.578 54.921 0.657 1
1 757 . 13 1 1 A 65 65 PHE CB C 65 38.245 42.420 -4.175 1
1 763 . 13 1 1 A 65 65 PHE N N 65 116.076 119.896 -3.820 1
1 764 . 13 1 1 A 66 66 PRO HA H 66 3.546 4.288 -0.742 1
1 771 . 13 1 1 A 66 66 PRO C C 66 177.963 177.761 0.202 1
1 772 . 13 1 1 A 66 66 PRO CA C 66 62.065 62.289 -0.224 1
1 773 . 13 1 1 A 66 66 PRO CB C 66 31.116 31.966 -0.850 1
1 776 . 13 1 1 A 67 67 GLU H H 67 8.081 8.581 -0.500 1
1 777 . 13 1 1 A 67 67 GLU HA H 67 3.651 4.085 -0.434 1
1 782 . 13 1 1 A 67 67 GLU C C 67 177.298 178.803 -1.505 1
1 783 . 13 1 1 A 67 67 GLU CA C 67 58.746 59.217 -0.471 1
1 784 . 13 1 1 A 67 67 GLU CB C 67 29.820 29.025 0.795 1
1 786 . 13 1 1 A 67 67 GLU N N 67 121.549 122.206 -0.657 1
1 787 . 13 1 1 A 68 68 ASP H H 68 8.456 8.157 0.299 1
1 788 . 13 1 1 A 68 68 ASP HA H 68 4.539 4.277 0.262 1
1 791 . 13 1 1 A 68 68 ASP C C 68 176.157 177.338 -1.181 1
1 792 . 13 1 1 A 68 68 ASP CA C 68 55.225 57.066 -1.841 1
1 793 . 13 1 1 A 68 68 ASP CB C 68 39.633 40.617 -0.984 1
1 794 . 13 1 1 A 68 68 ASP N N 68 113.915 120.982 -7.067 1
1 795 . 13 1 1 A 69 69 PHE H H 69 7.661 7.552 0.109 1
1 796 . 13 1 1 A 69 69 PHE HA H 69 4.386 4.602 -0.216 1
1 803 . 13 1 1 A 69 69 PHE C C 69 173.252 174.811 -1.559 1
1 804 . 13 1 1 A 69 69 PHE CA C 69 57.758 57.238 0.520 1
1 805 . 13 1 1 A 69 69 PHE CB C 69 37.019 38.947 -1.928 1
1 810 . 13 1 1 A 69 69 PHE N N 69 119.727 116.025 3.702 1
1 811 . 13 1 1 A 70 70 ALA H H 70 7.809 8.662 -0.853 1
1 812 . 13 1 1 A 70 70 ALA HA H 70 5.256 4.789 0.467 1
1 816 . 13 1 1 A 70 70 ALA C C 70 175.703 175.168 0.535 1
1 817 . 13 1 1 A 70 70 ALA CA C 70 50.800 51.281 -0.481 1
1 818 . 13 1 1 A 70 70 ALA CB C 70 24.061 23.197 0.864 1
1 819 . 13 1 1 A 70 70 ALA N N 70 121.782 120.615 1.167 1
1 820 . 13 1 1 A 71 71 ARG H H 71 8.792 8.394 0.398 1
1 821 . 13 1 1 A 71 71 ARG HA H 71 4.828 5.043 -0.215 1
1 828 . 13 1 1 A 71 71 ARG C C 71 175.613 175.677 -0.064 1
1 829 . 13 1 1 A 71 71 ARG CA C 71 54.220 54.204 0.016 1
1 830 . 13 1 1 A 71 71 ARG CB C 71 33.286 32.695 0.591 1
1 833 . 13 1 1 A 71 71 ARG N N 71 119.543 117.998 1.545 1
1 834 . 13 1 1 A 72 72 PHE H H 72 9.194 8.911 0.283 1
1 835 . 13 1 1 A 72 72 PHE HA H 72 4.604 4.396 0.208 1
1 843 . 13 1 1 A 72 72 PHE C C 72 176.818 175.994 0.824 1
1 844 . 13 1 1 A 72 72 PHE CA C 72 59.896 59.153 0.743 1
1 845 . 13 1 1 A 72 72 PHE CB C 72 39.079 38.878 0.201 1
1 851 . 13 1 1 A 72 72 PHE N N 72 125.006 123.674 1.332 1
1 852 . 13 1 1 A 73 73 ILE H H 73 8.574 8.556 0.018 1
1 853 . 13 1 1 A 73 73 ILE HA H 73 4.390 3.912 0.478 1
1 863 . 13 1 1 A 73 73 ILE C C 73 176.086 176.232 -0.146 1
1 864 . 13 1 1 A 73 73 ILE CA C 73 61.450 64.100 -2.650 1
1 865 . 13 1 1 A 73 73 ILE CB C 73 39.508 38.174 1.334 1
1 869 . 13 1 1 A 73 73 ILE N N 73 120.816 127.609 -6.793 1
1 870 . 13 1 1 A 74 74 SER H H 74 8.329 7.835 0.494 1
1 871 . 13 1 1 A 74 74 SER HA H 74 4.626 4.971 -0.345 1
1 874 . 13 1 1 A 74 74 SER C C 74 174.223 173.088 1.135 1
1 875 . 13 1 1 A 74 74 SER CA C 74 58.169 57.592 0.577 1
1 876 . 13 1 1 A 74 74 SER CB C 74 64.370 65.525 -1.155 1
1 877 . 13 1 1 A 74 74 SER N N 74 118.251 112.190 6.061 1
1 878 . 13 1 1 A 75 75 GLY H H 75 8.372 8.298 0.074 1
1 879 . 13 1 1 A 75 75 GLY HA2 H 75 4.149 4.237 -0.088 1
1 880 . 13 1 1 A 75 75 GLY HA3 H 75 4.149 4.245 -0.096 1
1 881 . 13 1 1 A 75 75 GLY C C 75 171.907 172.293 -0.386 1
1 882 . 13 1 1 A 75 75 GLY CA C 75 44.682 45.773 -1.091 1
1 883 . 13 1 1 A 75 75 GLY N N 75 109.951 108.108 1.843 1
1 884 . 13 1 1 A 76 76 PRO HA H 76 4.456 4.728 -0.272 1
1 891 . 13 1 1 A 76 76 PRO CA C 76 63.394 62.193 1.201 1
1 892 . 13 1 1 A 76 76 PRO CB C 76 32.180 29.096 3.084 1
1 1 . 14 1 1 A 6 6 SER HA H 6 4.486 4.457 0.029 1
1 3 . 14 1 1 A 6 6 SER CA C 6 58.492 60.321 -1.829 1
1 4 . 14 1 1 A 6 6 SER CB C 6 64.343 62.092 2.251 1
1 5 . 14 1 1 A 7 7 GLY H H 7 8.044 8.703 -0.659 1
1 6 . 14 1 1 A 7 7 GLY HA2 H 7 4.458 4.106 0.352 1
1 7 . 14 1 1 A 7 7 GLY HA3 H 7 3.780 4.256 -0.476 1
1 8 . 14 1 1 A 7 7 GLY C C 7 174.131 174.407 -0.276 1
1 9 . 14 1 1 A 7 7 GLY CA C 7 45.458 46.231 -0.773 1
1 10 . 14 1 1 A 7 7 GLY N N 7 116.867 111.477 5.390 1
1 11 . 14 1 1 A 8 8 TRP H H 8 8.111 8.254 -0.143 1
1 12 . 14 1 1 A 8 8 TRP HA H 8 4.626 4.815 -0.189 1
1 21 . 14 1 1 A 8 8 TRP C C 8 176.673 176.452 0.221 1
1 22 . 14 1 1 A 8 8 TRP CA C 8 57.729 56.990 0.739 1
1 23 . 14 1 1 A 8 8 TRP CB C 8 29.413 27.817 1.596 1
1 29 . 14 1 1 A 8 8 TRP N N 8 121.258 122.399 -1.141 1
1 31 . 14 1 1 A 9 9 GLN H H 9 8.229 8.155 0.074 1
1 32 . 14 1 1 A 9 9 GLN HA H 9 4.133 4.168 -0.035 1
1 39 . 14 1 1 A 9 9 GLN C C 9 176.147 177.556 -1.409 1
1 40 . 14 1 1 A 9 9 GLN CA C 9 56.283 58.756 -2.473 1
1 41 . 14 1 1 A 9 9 GLN CB C 9 29.125 28.957 0.168 1
1 43 . 14 1 1 A 9 9 GLN N N 9 122.756 125.704 -2.948 1
1 45 . 14 1 1 A 10 10 GLY H H 10 7.500 7.835 -0.335 1
1 46 . 14 1 1 A 10 10 GLY HA2 H 10 3.744 3.989 -0.245 1
1 47 . 14 1 1 A 10 10 GLY HA3 H 10 3.714 3.998 -0.284 1
1 48 . 14 1 1 A 10 10 GLY C C 10 174.092 172.163 1.929 1
1 49 . 14 1 1 A 10 10 GLY CA C 10 45.335 45.329 0.006 1
1 50 . 14 1 1 A 10 10 GLY N N 10 108.221 107.439 0.782 1
1 51 . 14 1 1 A 11 11 LEU H H 11 8.029 8.945 -0.916 1
1 52 . 14 1 1 A 11 11 LEU HA H 11 4.368 5.261 -0.893 1
1 62 . 14 1 1 A 11 11 LEU C C 11 177.808 174.590 3.218 1
1 63 . 14 1 1 A 11 11 LEU CA C 11 55.348 53.904 1.444 1
1 64 . 14 1 1 A 11 11 LEU CB C 11 42.515 46.833 -4.318 1
1 68 . 14 1 1 A 11 11 LEU N N 11 121.136 126.773 -5.637 1
1 69 . 14 1 1 A 12 12 SER H H 12 8.388 8.951 -0.563 1
1 70 . 14 1 1 A 12 12 SER HA H 12 4.370 5.358 -0.988 1
1 73 . 14 1 1 A 12 12 SER CA C 12 58.716 56.990 1.726 1
1 74 . 14 1 1 A 12 12 SER CB C 12 63.835 64.610 -0.775 1
1 75 . 14 1 1 A 12 12 SER N N 12 116.252 119.493 -3.241 1
1 76 . 14 1 1 A 13 13 SER HA H 13 4.481 4.709 -0.228 1
1 79 . 14 1 1 A 13 13 SER C C 13 175.161 173.914 1.247 1
1 80 . 14 1 1 A 13 13 SER CA C 13 58.442 59.288 -0.846 1
1 81 . 14 1 1 A 13 13 SER CB C 13 63.798 66.153 -2.355 1
1 82 . 14 1 1 A 14 14 LYS H H 14 8.372 7.733 0.639 1
1 83 . 14 1 1 A 14 14 LYS HA H 14 4.226 4.517 -0.291 1
1 92 . 14 1 1 A 14 14 LYS C C 14 177.249 175.785 1.464 1
1 93 . 14 1 1 A 14 14 LYS CA C 14 57.303 55.823 1.480 1
1 94 . 14 1 1 A 14 14 LYS CB C 14 32.694 33.532 -0.838 1
1 98 . 14 1 1 A 14 14 LYS N N 14 123.245 118.088 5.157 1
1 99 . 14 1 1 A 15 15 GLY H H 15 8.213 8.364 -0.151 1
1 100 . 14 1 1 A 15 15 GLY HA2 H 15 3.924 4.177 -0.253 1
1 101 . 14 1 1 A 15 15 GLY HA3 H 15 3.924 4.179 -0.255 1
1 102 . 14 1 1 A 15 15 GLY C C 15 173.863 172.891 0.972 1
1 103 . 14 1 1 A 15 15 GLY CA C 15 45.599 46.182 -0.583 1
1 104 . 14 1 1 A 15 15 GLY N N 15 107.368 108.142 -0.774 1
1 105 . 14 1 1 A 16 16 ASP H H 16 8.091 8.285 -0.194 1
1 106 . 14 1 1 A 16 16 ASP HA H 16 4.711 4.780 -0.069 1
1 109 . 14 1 1 A 16 16 ASP C C 16 176.074 175.544 0.530 1
1 110 . 14 1 1 A 16 16 ASP CA C 16 54.167 53.970 0.197 1
1 111 . 14 1 1 A 16 16 ASP CB C 16 41.155 40.409 0.746 1
1 112 . 14 1 1 A 16 16 ASP N N 16 119.368 125.152 -5.784 1
1 113 . 14 1 1 A 17 17 LEU H H 17 7.757 7.225 0.532 1
1 114 . 14 1 1 A 17 17 LEU HA H 17 4.641 4.438 0.203 1
1 124 . 14 1 1 A 17 17 LEU C C 17 174.627 174.661 -0.034 1
1 125 . 14 1 1 A 17 17 LEU CA C 17 53.286 53.665 -0.379 1
1 126 . 14 1 1 A 17 17 LEU CB C 17 41.003 41.092 -0.089 1
1 130 . 14 1 1 A 17 17 LEU N N 17 122.770 121.525 1.245 1
1 131 . 14 1 1 A 18 18 PRO HA H 18 4.619 4.815 -0.196 1
1 138 . 14 1 1 A 18 18 PRO C C 18 175.014 176.173 -1.159 1
1 139 . 14 1 1 A 18 18 PRO CA C 18 62.756 62.702 0.054 1
1 140 . 14 1 1 A 18 18 PRO CB C 18 32.631 32.709 -0.078 1
1 143 . 14 1 1 A 19 19 GLN H H 19 8.295 8.434 -0.139 1
1 144 . 14 1 1 A 19 19 GLN HA H 19 5.396 5.243 0.153 1
1 151 . 14 1 1 A 19 19 GLN C C 19 176.012 174.896 1.116 1
1 152 . 14 1 1 A 19 19 GLN CA C 19 54.094 54.113 -0.019 1
1 153 . 14 1 1 A 19 19 GLN CB C 19 32.478 31.900 0.578 1
1 155 . 14 1 1 A 19 19 GLN N N 19 117.612 120.649 -3.037 1
1 157 . 14 1 1 A 20 20 VAL H H 20 9.005 8.600 0.405 1
1 158 . 14 1 1 A 20 20 VAL HA H 20 5.133 4.784 0.349 1
1 166 . 14 1 1 A 20 20 VAL C C 20 173.875 173.799 0.076 1
1 167 . 14 1 1 A 20 20 VAL CA C 20 57.486 59.276 -1.790 1
1 168 . 14 1 1 A 20 20 VAL CB C 20 35.076 34.619 0.457 1
1 171 . 14 1 1 A 20 20 VAL N N 20 112.092 117.981 -5.889 1
1 172 . 14 1 1 A 21 21 GLU H H 21 8.901 8.420 0.481 1
1 173 . 14 1 1 A 21 21 GLU HA H 21 5.199 4.972 0.227 1
1 178 . 14 1 1 A 21 21 GLU C C 21 175.780 175.792 -0.012 1
1 179 . 14 1 1 A 21 21 GLU CA C 21 53.268 55.071 -1.803 1
1 180 . 14 1 1 A 21 21 GLU CB C 21 32.997 31.328 1.669 1
1 182 . 14 1 1 A 21 21 GLU N N 21 119.970 123.727 -3.757 1
1 183 . 14 1 1 A 22 22 ILE H H 22 8.656 9.991 -1.335 1
1 184 . 14 1 1 A 22 22 ILE HA H 22 4.742 4.316 0.426 1
1 194 . 14 1 1 A 22 22 ILE C C 22 179.107 177.675 1.432 1
1 195 . 14 1 1 A 22 22 ILE CA C 22 58.064 62.142 -4.078 1
1 196 . 14 1 1 A 22 22 ILE CB C 22 34.481 37.918 -3.437 1
1 200 . 14 1 1 A 22 22 ILE N N 22 125.654 127.917 -2.263 1
1 201 . 14 1 1 A 23 23 THR H H 23 9.206 9.009 0.197 1
1 202 . 14 1 1 A 23 23 THR HA H 23 4.230 4.398 -0.168 1
1 207 . 14 1 1 A 23 23 THR C C 23 174.481 174.498 -0.017 1
1 208 . 14 1 1 A 23 23 THR CA C 23 62.787 62.721 0.066 1
1 209 . 14 1 1 A 23 23 THR CB C 23 68.779 69.146 -0.367 1
1 211 . 14 1 1 A 23 23 THR N N 23 122.259 119.595 2.664 1
1 212 . 14 1 1 A 24 24 LYS H H 24 7.443 7.762 -0.319 1
1 213 . 14 1 1 A 24 24 LYS HA H 24 4.332 4.753 -0.421 1
1 222 . 14 1 1 A 24 24 LYS C C 24 172.169 175.241 -3.072 1
1 223 . 14 1 1 A 24 24 LYS CA C 24 55.154 55.036 0.118 1
1 224 . 14 1 1 A 24 24 LYS CB C 24 35.137 35.794 -0.657 1
1 228 . 14 1 1 A 24 24 LYS N N 24 121.874 117.973 3.901 1
1 229 . 14 1 1 A 25 25 ALA H H 25 8.259 8.677 -0.418 1
1 230 . 14 1 1 A 25 25 ALA HA H 25 3.914 4.342 -0.428 1
1 234 . 14 1 1 A 25 25 ALA C C 25 176.411 176.858 -0.447 1
1 235 . 14 1 1 A 25 25 ALA CA C 25 53.409 52.962 0.447 1
1 236 . 14 1 1 A 25 25 ALA CB C 25 19.113 18.949 0.164 1
1 237 . 14 1 1 A 25 25 ALA N N 25 121.708 124.338 -2.630 1
1 238 . 14 1 1 A 26 26 PHE H H 26 8.058 8.652 -0.594 1
1 239 . 14 1 1 A 26 26 PHE HA H 26 4.742 5.172 -0.430 1
1 247 . 14 1 1 A 26 26 PHE C C 26 172.769 174.207 -1.438 1
1 248 . 14 1 1 A 26 26 PHE CA C 26 56.354 55.647 0.707 1
1 249 . 14 1 1 A 26 26 PHE CB C 26 42.608 40.456 2.152 1
1 255 . 14 1 1 A 26 26 PHE N N 26 121.151 123.858 -2.707 1
1 256 . 14 1 1 A 27 27 PHE H H 27 7.752 8.556 -0.804 1
1 257 . 14 1 1 A 27 27 PHE HA H 27 4.469 4.273 0.196 1
1 265 . 14 1 1 A 27 27 PHE C C 27 173.594 175.436 -1.842 1
1 266 . 14 1 1 A 27 27 PHE CA C 27 56.088 59.059 -2.971 1
1 267 . 14 1 1 A 27 27 PHE CB C 27 39.425 39.136 0.289 1
1 273 . 14 1 1 A 27 27 PHE N N 27 125.818 125.954 -0.136 1
1 274 . 14 1 1 A 28 28 ALA H H 28 8.045 8.117 -0.072 1
1 275 . 14 1 1 A 28 28 ALA HA H 28 4.002 3.989 0.013 1
1 279 . 14 1 1 A 28 28 ALA C C 28 178.303 178.378 -0.075 1
1 280 . 14 1 1 A 28 28 ALA CA C 28 52.898 52.738 0.160 1
1 281 . 14 1 1 A 28 28 ALA CB C 28 20.853 19.046 1.807 1
1 282 . 14 1 1 A 28 28 ALA N N 28 126.105 127.284 -1.179 1
1 283 . 14 1 1 A 29 29 LYS H H 29 9.282 9.586 -0.304 1
1 284 . 14 1 1 A 29 29 LYS HA H 29 4.524 4.631 -0.107 1
1 293 . 14 1 1 A 29 29 LYS C C 29 176.347 176.324 0.023 1
1 294 . 14 1 1 A 29 29 LYS CA C 29 56.187 56.712 -0.525 1
1 295 . 14 1 1 A 29 29 LYS CB C 29 34.585 34.256 0.329 1
1 299 . 14 1 1 A 29 29 LYS N N 29 120.760 119.717 1.043 1
1 300 . 14 1 1 A 30 30 GLN H H 30 7.738 7.804 -0.066 1
1 301 . 14 1 1 A 30 30 GLN HA H 30 4.657 4.597 0.060 1
1 308 . 14 1 1 A 30 30 GLN C C 30 177.059 176.492 0.567 1
1 309 . 14 1 1 A 30 30 GLN CA C 30 53.885 54.552 -0.667 1
1 310 . 14 1 1 A 30 30 GLN CB C 30 31.349 30.807 0.542 1
1 312 . 14 1 1 A 30 30 GLN N N 30 116.957 119.069 -2.112 1
1 314 . 14 1 1 A 31 31 ALA H H 31 8.719 8.323 0.396 1
1 315 . 14 1 1 A 31 31 ALA HA H 31 4.189 4.254 -0.065 1
1 319 . 14 1 1 A 31 31 ALA C C 31 177.686 178.020 -0.334 1
1 320 . 14 1 1 A 31 31 ALA CA C 31 54.960 52.874 2.086 1
1 321 . 14 1 1 A 31 31 ALA CB C 31 18.859 19.572 -0.713 1
1 322 . 14 1 1 A 31 31 ALA N N 31 122.985 123.197 -0.212 1
1 323 . 14 1 1 A 32 32 ASP H H 32 8.436 8.061 0.375 1
1 324 . 14 1 1 A 32 32 ASP HA H 32 4.904 4.788 0.116 1
1 327 . 14 1 1 A 32 32 ASP C C 32 176.845 177.058 -0.213 1
1 328 . 14 1 1 A 32 32 ASP CA C 32 54.044 54.621 -0.577 1
1 329 . 14 1 1 A 32 32 ASP CB C 32 40.166 41.552 -1.386 1
1 330 . 14 1 1 A 32 32 ASP N N 32 113.224 117.351 -4.127 1
1 331 . 14 1 1 A 33 33 GLU H H 33 7.632 8.046 -0.414 1
1 332 . 14 1 1 A 33 33 GLU HA H 33 5.578 4.977 0.601 1
1 337 . 14 1 1 A 33 33 GLU C C 33 175.518 175.430 0.088 1
1 338 . 14 1 1 A 33 33 GLU CA C 33 55.437 55.985 -0.548 1
1 339 . 14 1 1 A 33 33 GLU CB C 33 33.079 30.981 2.098 1
1 341 . 14 1 1 A 33 33 GLU N N 33 119.902 118.265 1.637 1
1 342 . 14 1 1 A 34 34 VAL H H 34 8.311 9.121 -0.810 1
1 343 . 14 1 1 A 34 34 VAL HA H 34 4.791 4.976 -0.185 1
1 351 . 14 1 1 A 34 34 VAL C C 34 171.861 174.613 -2.752 1
1 352 . 14 1 1 A 34 34 VAL CA C 34 58.152 59.941 -1.789 1
1 353 . 14 1 1 A 34 34 VAL CB C 34 35.881 35.562 0.319 1
1 356 . 14 1 1 A 34 34 VAL N N 34 119.872 121.090 -1.218 1
1 357 . 14 1 1 A 35 35 THR H H 35 8.047 8.690 -0.643 1
1 358 . 14 1 1 A 35 35 THR HA H 35 4.559 4.737 -0.178 1
1 363 . 14 1 1 A 35 35 THR C C 35 174.643 174.031 0.612 1
1 364 . 14 1 1 A 35 35 THR CA C 35 62.859 62.889 -0.030 1
1 365 . 14 1 1 A 35 35 THR CB C 35 69.626 69.134 0.492 1
1 367 . 14 1 1 A 35 35 THR N N 35 123.767 123.273 0.494 1
1 368 . 14 1 1 A 36 36 LEU H H 36 9.001 8.532 0.469 1
1 369 . 14 1 1 A 36 36 LEU HA H 36 4.571 5.009 -0.438 1
1 379 . 14 1 1 A 36 36 LEU C C 36 176.087 175.773 0.314 1
1 380 . 14 1 1 A 36 36 LEU CA C 36 53.374 53.540 -0.166 1
1 381 . 14 1 1 A 36 36 LEU CB C 36 47.954 46.194 1.760 1
1 385 . 14 1 1 A 36 36 LEU N N 36 127.439 125.988 1.451 1
1 386 . 14 1 1 A 37 37 GLN H H 37 8.889 8.554 0.335 1
1 387 . 14 1 1 A 37 37 GLN HA H 37 4.298 4.859 -0.561 1
1 394 . 14 1 1 A 37 37 GLN C C 37 175.508 175.003 0.505 1
1 395 . 14 1 1 A 37 37 GLN CA C 37 53.621 53.705 -0.084 1
1 396 . 14 1 1 A 37 37 GLN CB C 37 30.567 32.812 -2.245 1
1 398 . 14 1 1 A 37 37 GLN N N 37 121.687 119.464 2.223 1
1 400 . 14 1 1 A 38 38 GLN H H 38 8.517 8.519 -0.002 1
1 401 . 14 1 1 A 38 38 GLN HA H 38 3.378 3.930 -0.552 1
1 408 . 14 1 1 A 38 38 GLN C C 38 176.738 176.547 0.191 1
1 409 . 14 1 1 A 38 38 GLN CA C 38 58.584 57.149 1.435 1
1 410 . 14 1 1 A 38 38 GLN CB C 38 28.151 28.566 -0.415 1
1 412 . 14 1 1 A 38 38 GLN N N 38 120.664 121.989 -1.325 1
1 414 . 14 1 1 A 39 39 ALA H H 39 9.200 9.485 -0.285 1
1 415 . 14 1 1 A 39 39 ALA HA H 39 3.948 3.857 0.091 1
1 419 . 14 1 1 A 39 39 ALA C C 39 177.251 175.725 1.526 1
1 420 . 14 1 1 A 39 39 ALA CA C 39 54.731 53.070 1.661 1
1 421 . 14 1 1 A 39 39 ALA CB C 39 17.134 17.441 -0.307 1
1 422 . 14 1 1 A 39 39 ALA N N 39 123.253 123.629 -0.376 1
1 423 . 14 1 1 A 40 40 ASP H H 40 8.025 7.307 0.718 1
1 424 . 14 1 1 A 40 40 ASP HA H 40 4.498 5.059 -0.561 1
1 427 . 14 1 1 A 40 40 ASP C C 40 175.010 175.389 -0.379 1
1 428 . 14 1 1 A 40 40 ASP CA C 40 56.407 53.031 3.376 1
1 429 . 14 1 1 A 40 40 ASP CB C 40 41.713 43.411 -1.698 1
1 430 . 14 1 1 A 40 40 ASP N N 40 121.075 116.560 4.515 1
1 431 . 14 1 1 A 41 41 VAL H H 41 7.518 8.829 -1.311 1
1 432 . 14 1 1 A 41 41 VAL HA H 41 5.060 4.672 0.388 1
1 440 . 14 1 1 A 41 41 VAL C C 41 176.546 175.035 1.511 1
1 441 . 14 1 1 A 41 41 VAL CA C 41 61.818 61.777 0.041 1
1 442 . 14 1 1 A 41 41 VAL CB C 41 32.997 32.801 0.196 1
1 445 . 14 1 1 A 41 41 VAL N N 41 119.767 124.083 -4.316 1
1 446 . 14 1 1 A 42 42 VAL H H 42 9.086 8.451 0.635 1
1 447 . 14 1 1 A 42 42 VAL HA H 42 4.528 4.501 0.027 1
1 455 . 14 1 1 A 42 42 VAL C C 42 173.762 174.572 -0.810 1
1 456 . 14 1 1 A 42 42 VAL CA C 42 60.363 60.361 0.002 1
1 457 . 14 1 1 A 42 42 VAL CB C 42 35.736 35.869 -0.133 1
1 460 . 14 1 1 A 42 42 VAL N N 42 129.212 127.490 1.722 1
1 461 . 14 1 1 A 43 43 LEU H H 43 8.855 8.977 -0.122 1
1 462 . 14 1 1 A 43 43 LEU HA H 43 4.651 4.725 -0.074 1
1 472 . 14 1 1 A 43 43 LEU C C 43 175.853 175.582 0.271 1
1 473 . 14 1 1 A 43 43 LEU CA C 43 54.132 54.052 0.080 1
1 474 . 14 1 1 A 43 43 LEU CB C 43 44.039 43.126 0.913 1
1 478 . 14 1 1 A 43 43 LEU N N 43 128.624 129.888 -1.264 1
1 479 . 14 1 1 A 44 44 VAL H H 44 8.835 9.295 -0.460 1
1 480 . 14 1 1 A 44 44 VAL HA H 44 3.837 4.447 -0.610 1
1 488 . 14 1 1 A 44 44 VAL C C 44 174.445 175.707 -1.262 1
1 489 . 14 1 1 A 44 44 VAL CA C 44 64.603 63.684 0.919 1
1 490 . 14 1 1 A 44 44 VAL CB C 44 32.325 32.163 0.162 1
1 493 . 14 1 1 A 44 44 VAL N N 44 126.525 127.829 -1.304 1
1 494 . 14 1 1 A 45 45 LEU H H 45 9.166 10.040 -0.874 1
1 495 . 14 1 1 A 45 45 LEU HA H 45 4.488 4.538 -0.050 1
1 505 . 14 1 1 A 45 45 LEU C C 45 177.820 176.485 1.335 1
1 506 . 14 1 1 A 45 45 LEU CA C 45 56.137 55.663 0.474 1
1 507 . 14 1 1 A 45 45 LEU CB C 45 43.957 43.570 0.387 1
1 511 . 14 1 1 A 45 45 LEU N N 45 127.543 126.856 0.687 1
1 512 . 14 1 1 A 46 46 GLN H H 46 8.074 7.544 0.530 1
1 513 . 14 1 1 A 46 46 GLN HA H 46 4.643 4.790 -0.147 1
1 520 . 14 1 1 A 46 46 GLN C C 46 173.225 174.444 -1.219 1
1 521 . 14 1 1 A 46 46 GLN CA C 46 55.277 54.798 0.479 1
1 522 . 14 1 1 A 46 46 GLN CB C 46 33.285 31.689 1.596 1
1 524 . 14 1 1 A 46 46 GLN N N 46 115.961 116.762 -0.801 1
1 526 . 14 1 1 A 47 47 GLN H H 47 8.683 8.961 -0.278 1
1 527 . 14 1 1 A 47 47 GLN HA H 47 5.194 4.854 0.340 1
1 534 . 14 1 1 A 47 47 GLN C C 47 174.366 174.576 -0.210 1
1 535 . 14 1 1 A 47 47 GLN CA C 47 55.243 55.204 0.039 1
1 536 . 14 1 1 A 47 47 GLN CB C 47 31.473 29.637 1.836 1
1 538 . 14 1 1 A 47 47 GLN N N 47 121.742 124.344 -2.602 1
1 540 . 14 1 1 A 48 48 GLU H H 48 9.201 9.283 -0.082 1
1 541 . 14 1 1 A 48 48 GLU HA H 48 4.669 5.049 -0.380 1
1 546 . 14 1 1 A 48 48 GLU C C 48 175.622 175.273 0.349 1
1 547 . 14 1 1 A 48 48 GLU CA C 48 56.134 54.847 1.287 1
1 548 . 14 1 1 A 48 48 GLU CB C 48 33.098 32.319 0.779 1
1 550 . 14 1 1 A 48 48 GLU N N 48 124.529 125.108 -0.579 1
1 551 . 14 1 1 A 49 49 ASP H H 49 9.177 8.812 0.365 1
1 552 . 14 1 1 A 49 49 ASP HA H 49 4.424 4.345 0.079 1
1 555 . 14 1 1 A 49 49 ASP C C 49 175.771 176.895 -1.124 1
1 556 . 14 1 1 A 49 49 ASP CA C 49 56.001 56.017 -0.016 1
1 557 . 14 1 1 A 49 49 ASP CB C 49 40.478 40.546 -0.068 1
1 558 . 14 1 1 A 49 49 ASP N N 49 125.649 127.940 -2.291 1
1 559 . 14 1 1 A 50 50 GLY H H 50 8.750 8.785 -0.035 1
1 560 . 14 1 1 A 50 50 GLY HA2 H 50 4.266 4.022 0.244 1
1 561 . 14 1 1 A 50 50 GLY HA3 H 50 3.753 4.138 -0.385 1
1 562 . 14 1 1 A 50 50 GLY C C 50 174.455 173.657 0.798 1
1 563 . 14 1 1 A 50 50 GLY CA C 50 45.969 45.433 0.536 1
1 564 . 14 1 1 A 50 50 GLY N N 50 108.057 113.330 -5.273 1
1 565 . 14 1 1 A 51 51 TRP H H 51 8.427 9.006 -0.579 1
1 566 . 14 1 1 A 51 51 TRP HA H 51 4.877 5.303 -0.426 1
1 575 . 14 1 1 A 51 51 TRP C C 51 173.525 175.572 -2.047 1
1 576 . 14 1 1 A 51 51 TRP CA C 51 57.270 55.559 1.711 1
1 577 . 14 1 1 A 51 51 TRP CB C 51 32.690 34.084 -1.394 1
1 583 . 14 1 1 A 51 51 TRP N N 51 122.784 120.753 2.031 1
1 585 . 14 1 1 A 52 52 LEU H H 52 9.368 9.018 0.350 1
1 586 . 14 1 1 A 52 52 LEU HA H 52 4.987 4.911 0.076 1
1 596 . 14 1 1 A 52 52 LEU C C 52 173.005 174.311 -1.306 1
1 597 . 14 1 1 A 52 52 LEU CA C 52 52.634 52.956 -0.322 1
1 598 . 14 1 1 A 52 52 LEU CB C 52 43.833 43.128 0.705 1
1 602 . 14 1 1 A 52 52 LEU N N 52 121.750 122.289 -0.539 1
1 603 . 14 1 1 A 53 53 TYR H H 53 8.267 9.590 -1.323 1
1 604 . 14 1 1 A 53 53 TYR HA H 53 4.513 4.489 0.024 1
1 611 . 14 1 1 A 53 53 TYR C C 53 176.111 175.180 0.931 1
1 612 . 14 1 1 A 53 53 TYR CA C 53 55.283 57.978 -2.695 1
1 613 . 14 1 1 A 53 53 TYR CB C 53 39.251 38.782 0.469 1
1 618 . 14 1 1 A 53 53 TYR N N 53 122.457 126.769 -4.312 1
1 619 . 14 1 1 A 54 54 GLY H H 54 8.238 7.780 0.458 1
1 620 . 14 1 1 A 54 54 GLY HA2 H 54 4.706 4.132 0.574 1
1 621 . 14 1 1 A 54 54 GLY HA3 H 54 3.802 4.383 -0.581 1
1 622 . 14 1 1 A 54 54 GLY C C 54 168.928 171.539 -2.611 1
1 623 . 14 1 1 A 54 54 GLY CA C 54 45.792 45.661 0.131 1
1 624 . 14 1 1 A 54 54 GLY N N 54 112.598 112.018 0.580 1
1 625 . 14 1 1 A 55 55 GLU H H 55 8.400 9.321 -0.921 1
1 626 . 14 1 1 A 55 55 GLU HA H 55 4.718 5.133 -0.415 1
1 631 . 14 1 1 A 55 55 GLU C C 55 175.540 175.467 0.073 1
1 632 . 14 1 1 A 55 55 GLU CA C 55 53.268 54.733 -1.465 1
1 633 . 14 1 1 A 55 55 GLU CB C 55 34.264 33.004 1.260 1
1 635 . 14 1 1 A 55 55 GLU N N 55 118.345 120.619 -2.274 1
1 636 . 14 1 1 A 56 56 ARG H H 56 9.654 9.303 0.351 1
1 637 . 14 1 1 A 56 56 ARG HA H 56 4.309 4.267 0.042 1
1 645 . 14 1 1 A 56 56 ARG C C 56 176.838 176.667 0.171 1
1 646 . 14 1 1 A 56 56 ARG CA C 56 57.492 56.836 0.656 1
1 647 . 14 1 1 A 56 56 ARG CB C 56 30.854 30.895 -0.041 1
1 650 . 14 1 1 A 56 56 ARG N N 56 129.571 127.974 1.597 1
1 652 . 14 1 1 A 57 57 LEU H H 57 8.195 8.223 -0.028 1
1 653 . 14 1 1 A 57 57 LEU HA H 57 4.021 4.153 -0.132 1
1 663 . 14 1 1 A 57 57 LEU C C 57 179.671 178.895 0.776 1
1 664 . 14 1 1 A 57 57 LEU CA C 57 58.338 56.507 1.831 1
1 665 . 14 1 1 A 57 57 LEU CB C 57 41.939 41.383 0.556 1
1 669 . 14 1 1 A 57 57 LEU N N 57 129.973 127.311 2.662 1
1 670 . 14 1 1 A 58 58 ARG H H 58 8.494 8.124 0.370 1
1 671 . 14 1 1 A 58 58 ARG HA H 58 4.112 3.992 0.120 1
1 678 . 14 1 1 A 58 58 ARG C C 58 176.402 178.055 -1.653 1
1 679 . 14 1 1 A 58 58 ARG CA C 58 59.139 59.641 -0.502 1
1 680 . 14 1 1 A 58 58 ARG CB C 58 30.106 30.119 -0.013 1
1 683 . 14 1 1 A 58 58 ARG N N 58 115.005 120.972 -5.967 1
1 684 . 14 1 1 A 59 59 ASP H H 59 7.392 8.040 -0.648 1
1 685 . 14 1 1 A 59 59 ASP HA H 59 4.803 4.754 0.049 1
1 688 . 14 1 1 A 59 59 ASP C C 59 176.801 176.511 0.290 1
1 689 . 14 1 1 A 59 59 ASP CA C 59 52.827 54.123 -1.296 1
1 690 . 14 1 1 A 59 59 ASP CB C 59 42.144 42.172 -0.028 1
1 691 . 14 1 1 A 59 59 ASP N N 59 113.739 117.160 -3.421 1
1 692 . 14 1 1 A 60 60 GLY H H 60 8.435 8.231 0.204 1
1 693 . 14 1 1 A 60 60 GLY HA2 H 60 4.125 3.973 0.152 1
1 694 . 14 1 1 A 60 60 GLY HA3 H 60 3.868 3.986 -0.118 1
1 695 . 14 1 1 A 60 60 GLY C C 60 174.707 174.522 0.185 1
1 696 . 14 1 1 A 60 60 GLY CA C 60 45.917 44.965 0.952 1
1 697 . 14 1 1 A 60 60 GLY N N 60 110.642 107.579 3.063 1
1 698 . 14 1 1 A 61 61 GLU H H 61 7.527 7.852 -0.325 1
1 699 . 14 1 1 A 61 61 GLU HA H 61 4.163 4.324 -0.161 1
1 704 . 14 1 1 A 61 61 GLU C C 61 176.225 175.473 0.752 1
1 705 . 14 1 1 A 61 61 GLU CA C 61 58.222 57.456 0.766 1
1 706 . 14 1 1 A 61 61 GLU CB C 61 29.825 30.544 -0.719 1
1 708 . 14 1 1 A 61 61 GLU N N 61 123.061 120.582 2.479 1
1 709 . 14 1 1 A 62 62 THR H H 62 8.451 8.734 -0.283 1
1 710 . 14 1 1 A 62 62 THR HA H 62 5.666 5.034 0.632 1
1 715 . 14 1 1 A 62 62 THR C C 62 174.469 173.945 0.524 1
1 716 . 14 1 1 A 62 62 THR CA C 62 59.826 60.378 -0.552 1
1 717 . 14 1 1 A 62 62 THR CB C 62 72.751 69.533 3.218 1
1 719 . 14 1 1 A 62 62 THR N N 62 117.411 119.892 -2.481 1
1 720 . 14 1 1 A 63 63 GLY H H 63 7.931 8.269 -0.338 1
1 721 . 14 1 1 A 63 63 GLY HA2 H 63 4.124 4.433 -0.309 1
1 722 . 14 1 1 A 63 63 GLY HA3 H 63 3.936 4.509 -0.573 1
1 723 . 14 1 1 A 63 63 GLY C C 63 170.896 172.021 -1.125 1
1 724 . 14 1 1 A 63 63 GLY CA C 63 45.652 45.410 0.242 1
1 725 . 14 1 1 A 63 63 GLY N N 63 108.439 112.374 -3.935 1
1 726 . 14 1 1 A 64 64 TRP H H 64 9.071 9.537 -0.466 1
1 727 . 14 1 1 A 64 64 TRP HA H 64 6.061 5.641 0.420 1
1 736 . 14 1 1 A 64 64 TRP C C 64 177.395 176.390 1.005 1
1 737 . 14 1 1 A 64 64 TRP CA C 64 57.259 56.867 0.392 1
1 738 . 14 1 1 A 64 64 TRP CB C 64 31.882 30.807 1.075 1
1 744 . 14 1 1 A 64 64 TRP N N 64 119.762 120.667 -0.905 1
1 746 . 14 1 1 A 65 65 PHE H H 65 9.657 9.055 0.602 1
1 747 . 14 1 1 A 65 65 PHE HA H 65 4.823 5.155 -0.332 1
1 755 . 14 1 1 A 65 65 PHE C C 65 170.814 172.942 -2.128 1
1 756 . 14 1 1 A 65 65 PHE CA C 65 55.578 54.900 0.678 1
1 757 . 14 1 1 A 65 65 PHE CB C 65 38.245 41.976 -3.731 1
1 763 . 14 1 1 A 65 65 PHE N N 65 116.076 119.743 -3.667 1
1 764 . 14 1 1 A 66 66 PRO HA H 66 3.546 4.319 -0.773 1
1 771 . 14 1 1 A 66 66 PRO C C 66 177.963 177.792 0.171 1
1 772 . 14 1 1 A 66 66 PRO CA C 66 62.065 62.266 -0.201 1
1 773 . 14 1 1 A 66 66 PRO CB C 66 31.116 32.058 -0.942 1
1 776 . 14 1 1 A 67 67 GLU H H 67 8.081 8.604 -0.523 1
1 777 . 14 1 1 A 67 67 GLU HA H 67 3.651 4.145 -0.494 1
1 782 . 14 1 1 A 67 67 GLU C C 67 177.298 178.549 -1.251 1
1 783 . 14 1 1 A 67 67 GLU CA C 67 58.746 59.260 -0.514 1
1 784 . 14 1 1 A 67 67 GLU CB C 67 29.820 29.090 0.730 1
1 786 . 14 1 1 A 67 67 GLU N N 67 121.549 122.197 -0.648 1
1 787 . 14 1 1 A 68 68 ASP H H 68 8.456 8.293 0.163 1
1 788 . 14 1 1 A 68 68 ASP HA H 68 4.539 4.328 0.211 1
1 791 . 14 1 1 A 68 68 ASP C C 68 176.157 177.257 -1.100 1
1 792 . 14 1 1 A 68 68 ASP CA C 68 55.225 56.770 -1.545 1
1 793 . 14 1 1 A 68 68 ASP CB C 68 39.633 40.589 -0.956 1
1 794 . 14 1 1 A 68 68 ASP N N 68 113.915 120.558 -6.643 1
1 795 . 14 1 1 A 69 69 PHE H H 69 7.661 7.617 0.044 1
1 796 . 14 1 1 A 69 69 PHE HA H 69 4.386 4.672 -0.286 1
1 803 . 14 1 1 A 69 69 PHE C C 69 173.252 174.616 -1.364 1
1 804 . 14 1 1 A 69 69 PHE CA C 69 57.758 57.202 0.556 1
1 805 . 14 1 1 A 69 69 PHE CB C 69 37.019 38.864 -1.845 1
1 810 . 14 1 1 A 69 69 PHE N N 69 119.727 115.010 4.717 1
1 811 . 14 1 1 A 70 70 ALA H H 70 7.809 8.304 -0.495 1
1 812 . 14 1 1 A 70 70 ALA HA H 70 5.256 4.877 0.379 1
1 816 . 14 1 1 A 70 70 ALA C C 70 175.703 175.060 0.643 1
1 817 . 14 1 1 A 70 70 ALA CA C 70 50.800 51.312 -0.512 1
1 818 . 14 1 1 A 70 70 ALA CB C 70 24.061 22.990 1.071 1
1 819 . 14 1 1 A 70 70 ALA N N 70 121.782 120.412 1.370 1
1 820 . 14 1 1 A 71 71 ARG H H 71 8.792 8.184 0.608 1
1 821 . 14 1 1 A 71 71 ARG HA H 71 4.828 5.118 -0.290 1
1 828 . 14 1 1 A 71 71 ARG C C 71 175.613 175.533 0.080 1
1 829 . 14 1 1 A 71 71 ARG CA C 71 54.220 54.372 -0.152 1
1 830 . 14 1 1 A 71 71 ARG CB C 71 33.286 32.508 0.778 1
1 833 . 14 1 1 A 71 71 ARG N N 71 119.543 118.611 0.932 1
1 834 . 14 1 1 A 72 72 PHE H H 72 9.194 9.024 0.170 1
1 835 . 14 1 1 A 72 72 PHE HA H 72 4.604 4.420 0.184 1
1 843 . 14 1 1 A 72 72 PHE C C 72 176.818 175.738 1.080 1
1 844 . 14 1 1 A 72 72 PHE CA C 72 59.896 58.944 0.952 1
1 845 . 14 1 1 A 72 72 PHE CB C 72 39.079 38.780 0.299 1
1 851 . 14 1 1 A 72 72 PHE N N 72 125.006 123.944 1.062 1
1 852 . 14 1 1 A 73 73 ILE H H 73 8.574 8.469 0.105 1
1 853 . 14 1 1 A 73 73 ILE HA H 73 4.390 3.924 0.466 1
1 863 . 14 1 1 A 73 73 ILE C C 73 176.086 176.597 -0.511 1
1 864 . 14 1 1 A 73 73 ILE CA C 73 61.450 64.088 -2.638 1
1 865 . 14 1 1 A 73 73 ILE CB C 73 39.508 38.085 1.423 1
1 869 . 14 1 1 A 73 73 ILE N N 73 120.816 127.758 -6.942 1
1 870 . 14 1 1 A 74 74 SER H H 74 8.329 7.743 0.586 1
1 871 . 14 1 1 A 74 74 SER HA H 74 4.626 4.880 -0.254 1
1 874 . 14 1 1 A 74 74 SER C C 74 174.223 173.350 0.873 1
1 875 . 14 1 1 A 74 74 SER CA C 74 58.169 57.651 0.518 1
1 876 . 14 1 1 A 74 74 SER CB C 74 64.370 66.132 -1.762 1
1 877 . 14 1 1 A 74 74 SER N N 74 118.251 112.007 6.244 1
1 878 . 14 1 1 A 75 75 GLY H H 75 8.372 8.360 0.012 1
1 879 . 14 1 1 A 75 75 GLY HA2 H 75 4.149 4.285 -0.136 1
1 880 . 14 1 1 A 75 75 GLY HA3 H 75 4.149 4.367 -0.218 1
1 881 . 14 1 1 A 75 75 GLY C C 75 171.907 171.839 0.068 1
1 882 . 14 1 1 A 75 75 GLY CA C 75 44.682 45.808 -1.126 1
1 883 . 14 1 1 A 75 75 GLY N N 75 109.951 111.906 -1.955 1
1 884 . 14 1 1 A 76 76 PRO HA H 76 4.456 4.257 0.199 1
1 891 . 14 1 1 A 76 76 PRO CA C 76 63.394 63.344 0.050 1
1 892 . 14 1 1 A 76 76 PRO CB C 76 32.180 32.148 0.032 1
1 1 . 15 1 1 A 6 6 SER HA H 6 4.486 4.696 -0.210 1
1 3 . 15 1 1 A 6 6 SER CA C 6 58.492 59.469 -0.977 1
1 4 . 15 1 1 A 6 6 SER CB C 6 64.343 66.053 -1.710 1
1 5 . 15 1 1 A 7 7 GLY H H 7 8.044 7.935 0.109 1
1 6 . 15 1 1 A 7 7 GLY HA2 H 7 4.458 4.190 0.268 1
1 7 . 15 1 1 A 7 7 GLY HA3 H 7 3.780 4.254 -0.474 1
1 8 . 15 1 1 A 7 7 GLY C C 7 174.131 172.417 1.714 1
1 9 . 15 1 1 A 7 7 GLY CA C 7 45.458 44.545 0.913 1
1 10 . 15 1 1 A 7 7 GLY N N 7 116.867 104.843 12.024 1
1 11 . 15 1 1 A 8 8 TRP H H 8 8.111 8.780 -0.669 1
1 12 . 15 1 1 A 8 8 TRP HA H 8 4.626 4.914 -0.288 1
1 21 . 15 1 1 A 8 8 TRP C C 8 176.673 176.728 -0.055 1
1 22 . 15 1 1 A 8 8 TRP CA C 8 57.729 57.899 -0.170 1
1 23 . 15 1 1 A 8 8 TRP CB C 8 29.413 30.307 -0.894 1
1 29 . 15 1 1 A 8 8 TRP N N 8 121.258 120.366 0.892 1
1 31 . 15 1 1 A 9 9 GLN H H 9 8.229 8.256 -0.027 1
1 32 . 15 1 1 A 9 9 GLN HA H 9 4.133 4.330 -0.197 1
1 39 . 15 1 1 A 9 9 GLN C C 9 176.147 176.413 -0.266 1
1 40 . 15 1 1 A 9 9 GLN CA C 9 56.283 55.957 0.326 1
1 41 . 15 1 1 A 9 9 GLN CB C 9 29.125 29.987 -0.862 1
1 43 . 15 1 1 A 9 9 GLN N N 9 122.756 122.579 0.177 1
1 45 . 15 1 1 A 10 10 GLY H H 10 7.500 8.557 -1.057 1
1 46 . 15 1 1 A 10 10 GLY HA2 H 10 3.744 3.994 -0.250 1
1 47 . 15 1 1 A 10 10 GLY HA3 H 10 3.714 4.007 -0.293 1
1 48 . 15 1 1 A 10 10 GLY C C 10 174.092 172.945 1.147 1
1 49 . 15 1 1 A 10 10 GLY CA C 10 45.335 45.832 -0.497 1
1 50 . 15 1 1 A 10 10 GLY N N 10 108.221 109.450 -1.229 1
1 51 . 15 1 1 A 11 11 LEU H H 11 8.029 8.988 -0.959 1
1 52 . 15 1 1 A 11 11 LEU HA H 11 4.368 4.824 -0.456 1
1 62 . 15 1 1 A 11 11 LEU C C 11 177.808 176.089 1.719 1
1 63 . 15 1 1 A 11 11 LEU CA C 11 55.348 53.852 1.496 1
1 64 . 15 1 1 A 11 11 LEU CB C 11 42.515 41.673 0.842 1
1 68 . 15 1 1 A 11 11 LEU N N 11 121.136 128.046 -6.910 1
1 69 . 15 1 1 A 12 12 SER H H 12 8.388 8.948 -0.560 1
1 70 . 15 1 1 A 12 12 SER HA H 12 4.370 4.570 -0.200 1
1 73 . 15 1 1 A 12 12 SER CA C 12 58.716 60.415 -1.699 1
1 74 . 15 1 1 A 12 12 SER CB C 12 63.835 63.818 0.017 1
1 75 . 15 1 1 A 12 12 SER N N 12 116.252 120.615 -4.363 1
1 76 . 15 1 1 A 13 13 SER HA H 13 4.481 4.959 -0.478 1
1 79 . 15 1 1 A 13 13 SER C C 13 175.161 173.142 2.019 1
1 80 . 15 1 1 A 13 13 SER CA C 13 58.442 57.792 0.650 1
1 81 . 15 1 1 A 13 13 SER CB C 13 63.798 65.796 -1.998 1
1 82 . 15 1 1 A 14 14 LYS H H 14 8.372 8.822 -0.450 1
1 83 . 15 1 1 A 14 14 LYS HA H 14 4.226 5.401 -1.175 1
1 92 . 15 1 1 A 14 14 LYS C C 14 177.249 175.203 2.046 1
1 93 . 15 1 1 A 14 14 LYS CA C 14 57.303 54.385 2.918 1
1 94 . 15 1 1 A 14 14 LYS CB C 14 32.694 36.847 -4.153 1
1 98 . 15 1 1 A 14 14 LYS N N 14 123.245 122.629 0.616 1
1 99 . 15 1 1 A 15 15 GLY H H 15 8.213 8.376 -0.163 1
1 100 . 15 1 1 A 15 15 GLY HA2 H 15 3.924 4.232 -0.308 1
1 101 . 15 1 1 A 15 15 GLY HA3 H 15 3.924 4.234 -0.310 1
1 102 . 15 1 1 A 15 15 GLY C C 15 173.863 172.338 1.525 1
1 103 . 15 1 1 A 15 15 GLY CA C 15 45.599 46.235 -0.636 1
1 104 . 15 1 1 A 15 15 GLY N N 15 107.368 107.178 0.190 1
1 105 . 15 1 1 A 16 16 ASP H H 16 8.091 8.383 -0.292 1
1 106 . 15 1 1 A 16 16 ASP HA H 16 4.711 4.834 -0.123 1
1 109 . 15 1 1 A 16 16 ASP C C 16 176.074 175.746 0.328 1
1 110 . 15 1 1 A 16 16 ASP CA C 16 54.167 53.734 0.433 1
1 111 . 15 1 1 A 16 16 ASP CB C 16 41.155 41.020 0.135 1
1 112 . 15 1 1 A 16 16 ASP N N 16 119.368 125.425 -6.057 1
1 113 . 15 1 1 A 17 17 LEU H H 17 7.757 7.216 0.541 1
1 114 . 15 1 1 A 17 17 LEU HA H 17 4.641 4.399 0.242 1
1 124 . 15 1 1 A 17 17 LEU C C 17 174.627 176.902 -2.275 1
1 125 . 15 1 1 A 17 17 LEU CA C 17 53.286 53.879 -0.593 1
1 126 . 15 1 1 A 17 17 LEU CB C 17 41.003 41.667 -0.664 1
1 130 . 15 1 1 A 17 17 LEU N N 17 122.770 121.725 1.045 1
1 131 . 15 1 1 A 18 18 PRO HA H 18 4.619 4.467 0.152 1
1 138 . 15 1 1 A 18 18 PRO C C 18 175.014 177.134 -2.120 1
1 139 . 15 1 1 A 18 18 PRO CA C 18 62.756 64.849 -2.093 1
1 140 . 15 1 1 A 18 18 PRO CB C 18 32.631 31.997 0.634 1
1 143 . 15 1 1 A 19 19 GLN H H 19 8.295 8.075 0.220 1
1 144 . 15 1 1 A 19 19 GLN HA H 19 5.396 4.346 1.050 1
1 151 . 15 1 1 A 19 19 GLN C C 19 176.012 175.208 0.804 1
1 152 . 15 1 1 A 19 19 GLN CA C 19 54.094 57.627 -3.533 1
1 153 . 15 1 1 A 19 19 GLN CB C 19 32.478 27.795 4.683 1
1 155 . 15 1 1 A 19 19 GLN N N 19 117.612 116.594 1.018 1
1 157 . 15 1 1 A 20 20 VAL H H 20 9.005 8.005 1.000 1
1 158 . 15 1 1 A 20 20 VAL HA H 20 5.133 4.746 0.387 1
1 166 . 15 1 1 A 20 20 VAL C C 20 173.875 173.274 0.601 1
1 167 . 15 1 1 A 20 20 VAL CA C 20 57.486 58.790 -1.304 1
1 168 . 15 1 1 A 20 20 VAL CB C 20 35.076 35.788 -0.712 1
1 171 . 15 1 1 A 20 20 VAL N N 20 112.092 119.084 -6.992 1
1 172 . 15 1 1 A 21 21 GLU H H 21 8.901 8.591 0.310 1
1 173 . 15 1 1 A 21 21 GLU HA H 21 5.199 5.042 0.157 1
1 178 . 15 1 1 A 21 21 GLU C C 21 175.780 175.747 0.033 1
1 179 . 15 1 1 A 21 21 GLU CA C 21 53.268 54.541 -1.273 1
1 180 . 15 1 1 A 21 21 GLU CB C 21 32.997 32.241 0.756 1
1 182 . 15 1 1 A 21 21 GLU N N 21 119.970 122.184 -2.214 1
1 183 . 15 1 1 A 22 22 ILE H H 22 8.656 9.728 -1.072 1
1 184 . 15 1 1 A 22 22 ILE HA H 22 4.742 4.332 0.410 1
1 194 . 15 1 1 A 22 22 ILE C C 22 179.107 177.657 1.450 1
1 195 . 15 1 1 A 22 22 ILE CA C 22 58.064 62.057 -3.993 1
1 196 . 15 1 1 A 22 22 ILE CB C 22 34.481 37.842 -3.361 1
1 200 . 15 1 1 A 22 22 ILE N N 22 125.654 127.884 -2.230 1
1 201 . 15 1 1 A 23 23 THR H H 23 9.206 9.005 0.201 1
1 202 . 15 1 1 A 23 23 THR HA H 23 4.230 4.402 -0.172 1
1 207 . 15 1 1 A 23 23 THR C C 23 174.481 174.399 0.082 1
1 208 . 15 1 1 A 23 23 THR CA C 23 62.787 62.487 0.300 1
1 209 . 15 1 1 A 23 23 THR CB C 23 68.779 69.136 -0.357 1
1 211 . 15 1 1 A 23 23 THR N N 23 122.259 119.685 2.574 1
1 212 . 15 1 1 A 24 24 LYS H H 24 7.443 7.757 -0.314 1
1 213 . 15 1 1 A 24 24 LYS HA H 24 4.332 4.755 -0.423 1
1 222 . 15 1 1 A 24 24 LYS C C 24 172.169 175.232 -3.063 1
1 223 . 15 1 1 A 24 24 LYS CA C 24 55.154 54.854 0.300 1
1 224 . 15 1 1 A 24 24 LYS CB C 24 35.137 35.758 -0.621 1
1 228 . 15 1 1 A 24 24 LYS N N 24 121.874 118.202 3.672 1
1 229 . 15 1 1 A 25 25 ALA H H 25 8.259 8.651 -0.392 1
1 230 . 15 1 1 A 25 25 ALA HA H 25 3.914 4.382 -0.468 1
1 234 . 15 1 1 A 25 25 ALA C C 25 176.411 176.704 -0.293 1
1 235 . 15 1 1 A 25 25 ALA CA C 25 53.409 52.892 0.517 1
1 236 . 15 1 1 A 25 25 ALA CB C 25 19.113 19.186 -0.073 1
1 237 . 15 1 1 A 25 25 ALA N N 25 121.708 124.408 -2.700 1
1 238 . 15 1 1 A 26 26 PHE H H 26 8.058 8.708 -0.650 1
1 239 . 15 1 1 A 26 26 PHE HA H 26 4.742 5.180 -0.438 1
1 247 . 15 1 1 A 26 26 PHE C C 26 172.769 174.121 -1.352 1
1 248 . 15 1 1 A 26 26 PHE CA C 26 56.354 55.609 0.745 1
1 249 . 15 1 1 A 26 26 PHE CB C 26 42.608 40.096 2.512 1
1 255 . 15 1 1 A 26 26 PHE N N 26 121.151 124.151 -3.000 1
1 256 . 15 1 1 A 27 27 PHE H H 27 7.752 8.794 -1.042 1
1 257 . 15 1 1 A 27 27 PHE HA H 27 4.469 4.307 0.162 1
1 265 . 15 1 1 A 27 27 PHE C C 27 173.594 175.414 -1.820 1
1 266 . 15 1 1 A 27 27 PHE CA C 27 56.088 58.478 -2.390 1
1 267 . 15 1 1 A 27 27 PHE CB C 27 39.425 38.929 0.496 1
1 273 . 15 1 1 A 27 27 PHE N N 27 125.818 126.246 -0.428 1
1 274 . 15 1 1 A 28 28 ALA H H 28 8.045 8.022 0.023 1
1 275 . 15 1 1 A 28 28 ALA HA H 28 4.002 3.867 0.135 1
1 279 . 15 1 1 A 28 28 ALA C C 28 178.303 178.377 -0.074 1
1 280 . 15 1 1 A 28 28 ALA CA C 28 52.898 53.007 -0.109 1
1 281 . 15 1 1 A 28 28 ALA CB C 28 20.853 19.085 1.768 1
1 282 . 15 1 1 A 28 28 ALA N N 28 126.105 127.458 -1.353 1
1 283 . 15 1 1 A 29 29 LYS H H 29 9.282 9.592 -0.310 1
1 284 . 15 1 1 A 29 29 LYS HA H 29 4.524 4.631 -0.107 1
1 293 . 15 1 1 A 29 29 LYS C C 29 176.347 176.558 -0.211 1
1 294 . 15 1 1 A 29 29 LYS CA C 29 56.187 56.816 -0.629 1
1 295 . 15 1 1 A 29 29 LYS CB C 29 34.585 34.230 0.355 1
1 299 . 15 1 1 A 29 29 LYS N N 29 120.760 119.488 1.272 1
1 300 . 15 1 1 A 30 30 GLN H H 30 7.738 8.028 -0.290 1
1 301 . 15 1 1 A 30 30 GLN HA H 30 4.657 4.498 0.159 1
1 308 . 15 1 1 A 30 30 GLN C C 30 177.059 176.142 0.917 1
1 309 . 15 1 1 A 30 30 GLN CA C 30 53.885 54.848 -0.963 1
1 310 . 15 1 1 A 30 30 GLN CB C 30 31.349 30.057 1.292 1
1 312 . 15 1 1 A 30 30 GLN N N 30 116.957 118.997 -2.040 1
1 314 . 15 1 1 A 31 31 ALA H H 31 8.719 8.290 0.429 1
1 315 . 15 1 1 A 31 31 ALA HA H 31 4.189 4.372 -0.183 1
1 319 . 15 1 1 A 31 31 ALA C C 31 177.686 178.025 -0.339 1
1 320 . 15 1 1 A 31 31 ALA CA C 31 54.960 52.589 2.371 1
1 321 . 15 1 1 A 31 31 ALA CB C 31 18.859 19.669 -0.810 1
1 322 . 15 1 1 A 31 31 ALA N N 31 122.985 123.392 -0.407 1
1 323 . 15 1 1 A 32 32 ASP H H 32 8.436 8.257 0.179 1
1 324 . 15 1 1 A 32 32 ASP HA H 32 4.904 4.829 0.075 1
1 327 . 15 1 1 A 32 32 ASP C C 32 176.845 176.421 0.424 1
1 328 . 15 1 1 A 32 32 ASP CA C 32 54.044 54.002 0.042 1
1 329 . 15 1 1 A 32 32 ASP CB C 32 40.166 41.459 -1.293 1
1 330 . 15 1 1 A 32 32 ASP N N 32 113.224 116.410 -3.186 1
1 331 . 15 1 1 A 33 33 GLU H H 33 7.632 8.057 -0.425 1
1 332 . 15 1 1 A 33 33 GLU HA H 33 5.578 5.001 0.577 1
1 337 . 15 1 1 A 33 33 GLU C C 33 175.518 175.547 -0.029 1
1 338 . 15 1 1 A 33 33 GLU CA C 33 55.437 56.068 -0.631 1
1 339 . 15 1 1 A 33 33 GLU CB C 33 33.079 31.778 1.301 1
1 341 . 15 1 1 A 33 33 GLU N N 33 119.902 120.252 -0.350 1
1 342 . 15 1 1 A 34 34 VAL H H 34 8.311 8.847 -0.536 1
1 343 . 15 1 1 A 34 34 VAL HA H 34 4.791 4.653 0.138 1
1 351 . 15 1 1 A 34 34 VAL C C 34 171.861 174.293 -2.432 1
1 352 . 15 1 1 A 34 34 VAL CA C 34 58.152 60.344 -2.192 1
1 353 . 15 1 1 A 34 34 VAL CB C 34 35.881 35.357 0.524 1
1 356 . 15 1 1 A 34 34 VAL N N 34 119.872 120.626 -0.754 1
1 357 . 15 1 1 A 35 35 THR H H 35 8.047 8.620 -0.573 1
1 358 . 15 1 1 A 35 35 THR HA H 35 4.559 4.601 -0.042 1
1 363 . 15 1 1 A 35 35 THR C C 35 174.643 174.193 0.450 1
1 364 . 15 1 1 A 35 35 THR CA C 35 62.859 63.322 -0.463 1
1 365 . 15 1 1 A 35 35 THR CB C 35 69.626 68.948 0.678 1
1 367 . 15 1 1 A 35 35 THR N N 35 123.767 123.276 0.491 1
1 368 . 15 1 1 A 36 36 LEU H H 36 9.001 8.460 0.541 1
1 369 . 15 1 1 A 36 36 LEU HA H 36 4.571 4.983 -0.412 1
1 379 . 15 1 1 A 36 36 LEU C C 36 176.087 175.711 0.376 1
1 380 . 15 1 1 A 36 36 LEU CA C 36 53.374 53.493 -0.119 1
1 381 . 15 1 1 A 36 36 LEU CB C 36 47.954 46.119 1.835 1
1 385 . 15 1 1 A 36 36 LEU N N 36 127.439 125.922 1.517 1
1 386 . 15 1 1 A 37 37 GLN H H 37 8.889 8.750 0.139 1
1 387 . 15 1 1 A 37 37 GLN HA H 37 4.298 4.822 -0.524 1
1 394 . 15 1 1 A 37 37 GLN C C 37 175.508 174.661 0.847 1
1 395 . 15 1 1 A 37 37 GLN CA C 37 53.621 53.676 -0.055 1
1 396 . 15 1 1 A 37 37 GLN CB C 37 30.567 32.667 -2.100 1
1 398 . 15 1 1 A 37 37 GLN N N 37 121.687 119.427 2.260 1
1 400 . 15 1 1 A 38 38 GLN H H 38 8.517 8.508 0.009 1
1 401 . 15 1 1 A 38 38 GLN HA H 38 3.378 4.055 -0.677 1
1 408 . 15 1 1 A 38 38 GLN C C 38 176.738 176.398 0.340 1
1 409 . 15 1 1 A 38 38 GLN CA C 38 58.584 56.918 1.666 1
1 410 . 15 1 1 A 38 38 GLN CB C 38 28.151 28.777 -0.626 1
1 412 . 15 1 1 A 38 38 GLN N N 38 120.664 121.621 -0.957 1
1 414 . 15 1 1 A 39 39 ALA H H 39 9.200 9.580 -0.380 1
1 415 . 15 1 1 A 39 39 ALA HA H 39 3.948 3.847 0.101 1
1 419 . 15 1 1 A 39 39 ALA C C 39 177.251 175.627 1.624 1
1 420 . 15 1 1 A 39 39 ALA CA C 39 54.731 53.058 1.673 1
1 421 . 15 1 1 A 39 39 ALA CB C 39 17.134 17.300 -0.166 1
1 422 . 15 1 1 A 39 39 ALA N N 39 123.253 123.727 -0.474 1
1 423 . 15 1 1 A 40 40 ASP H H 40 8.025 7.799 0.226 1
1 424 . 15 1 1 A 40 40 ASP HA H 40 4.498 4.942 -0.444 1
1 427 . 15 1 1 A 40 40 ASP C C 40 175.010 175.607 -0.597 1
1 428 . 15 1 1 A 40 40 ASP CA C 40 56.407 53.334 3.073 1
1 429 . 15 1 1 A 40 40 ASP CB C 40 41.713 42.466 -0.753 1
1 430 . 15 1 1 A 40 40 ASP N N 40 121.075 117.029 4.046 1
1 431 . 15 1 1 A 41 41 VAL H H 41 7.518 8.604 -1.086 1
1 432 . 15 1 1 A 41 41 VAL HA H 41 5.060 4.535 0.525 1
1 440 . 15 1 1 A 41 41 VAL C C 41 176.546 175.184 1.362 1
1 441 . 15 1 1 A 41 41 VAL CA C 41 61.818 61.911 -0.093 1
1 442 . 15 1 1 A 41 41 VAL CB C 41 32.997 32.246 0.751 1
1 445 . 15 1 1 A 41 41 VAL N N 41 119.767 124.362 -4.595 1
1 446 . 15 1 1 A 42 42 VAL H H 42 9.086 8.717 0.369 1
1 447 . 15 1 1 A 42 42 VAL HA H 42 4.528 4.497 0.031 1
1 455 . 15 1 1 A 42 42 VAL C C 42 173.762 174.677 -0.915 1
1 456 . 15 1 1 A 42 42 VAL CA C 42 60.363 60.402 -0.039 1
1 457 . 15 1 1 A 42 42 VAL CB C 42 35.736 35.193 0.543 1
1 460 . 15 1 1 A 42 42 VAL N N 42 129.212 127.484 1.728 1
1 461 . 15 1 1 A 43 43 LEU H H 43 8.855 8.815 0.040 1
1 462 . 15 1 1 A 43 43 LEU HA H 43 4.651 4.741 -0.090 1
1 472 . 15 1 1 A 43 43 LEU C C 43 175.853 175.599 0.254 1
1 473 . 15 1 1 A 43 43 LEU CA C 43 54.132 54.098 0.034 1
1 474 . 15 1 1 A 43 43 LEU CB C 43 44.039 43.136 0.903 1
1 478 . 15 1 1 A 43 43 LEU N N 43 128.624 130.168 -1.544 1
1 479 . 15 1 1 A 44 44 VAL H H 44 8.835 8.907 -0.072 1
1 480 . 15 1 1 A 44 44 VAL HA H 44 3.837 4.483 -0.646 1
1 488 . 15 1 1 A 44 44 VAL C C 44 174.445 175.735 -1.290 1
1 489 . 15 1 1 A 44 44 VAL CA C 44 64.603 63.722 0.881 1
1 490 . 15 1 1 A 44 44 VAL CB C 44 32.325 32.230 0.095 1
1 493 . 15 1 1 A 44 44 VAL N N 44 126.525 128.063 -1.538 1
1 494 . 15 1 1 A 45 45 LEU H H 45 9.166 10.175 -1.009 1
1 495 . 15 1 1 A 45 45 LEU HA H 45 4.488 4.563 -0.075 1
1 505 . 15 1 1 A 45 45 LEU C C 45 177.820 176.551 1.269 1
1 506 . 15 1 1 A 45 45 LEU CA C 45 56.137 55.690 0.447 1
1 507 . 15 1 1 A 45 45 LEU CB C 45 43.957 43.654 0.303 1
1 511 . 15 1 1 A 45 45 LEU N N 45 127.543 126.843 0.700 1
1 512 . 15 1 1 A 46 46 GLN H H 46 8.074 7.514 0.560 1
1 513 . 15 1 1 A 46 46 GLN HA H 46 4.643 4.784 -0.141 1
1 520 . 15 1 1 A 46 46 GLN C C 46 173.225 174.560 -1.335 1
1 521 . 15 1 1 A 46 46 GLN CA C 46 55.277 54.364 0.913 1
1 522 . 15 1 1 A 46 46 GLN CB C 46 33.285 31.110 2.175 1
1 524 . 15 1 1 A 46 46 GLN N N 46 115.961 116.835 -0.874 1
1 526 . 15 1 1 A 47 47 GLN H H 47 8.683 8.974 -0.291 1
1 527 . 15 1 1 A 47 47 GLN HA H 47 5.194 4.869 0.325 1
1 534 . 15 1 1 A 47 47 GLN C C 47 174.366 174.837 -0.471 1
1 535 . 15 1 1 A 47 47 GLN CA C 47 55.243 55.605 -0.362 1
1 536 . 15 1 1 A 47 47 GLN CB C 47 31.473 29.793 1.680 1
1 538 . 15 1 1 A 47 47 GLN N N 47 121.742 124.168 -2.426 1
1 540 . 15 1 1 A 48 48 GLU H H 48 9.201 9.182 0.019 1
1 541 . 15 1 1 A 48 48 GLU HA H 48 4.669 5.050 -0.381 1
1 546 . 15 1 1 A 48 48 GLU C C 48 175.622 175.211 0.411 1
1 547 . 15 1 1 A 48 48 GLU CA C 48 56.134 54.790 1.344 1
1 548 . 15 1 1 A 48 48 GLU CB C 48 33.098 32.746 0.352 1
1 550 . 15 1 1 A 48 48 GLU N N 48 124.529 124.661 -0.132 1
1 551 . 15 1 1 A 49 49 ASP H H 49 9.177 8.811 0.366 1
1 552 . 15 1 1 A 49 49 ASP HA H 49 4.424 4.324 0.100 1
1 555 . 15 1 1 A 49 49 ASP C C 49 175.771 176.908 -1.137 1
1 556 . 15 1 1 A 49 49 ASP CA C 49 56.001 56.029 -0.028 1
1 557 . 15 1 1 A 49 49 ASP CB C 49 40.478 40.559 -0.081 1
1 558 . 15 1 1 A 49 49 ASP N N 49 125.649 127.932 -2.283 1
1 559 . 15 1 1 A 50 50 GLY H H 50 8.750 8.803 -0.053 1
1 560 . 15 1 1 A 50 50 GLY HA2 H 50 4.266 4.056 0.210 1
1 561 . 15 1 1 A 50 50 GLY HA3 H 50 3.753 4.154 -0.401 1
1 562 . 15 1 1 A 50 50 GLY C C 50 174.455 173.706 0.749 1
1 563 . 15 1 1 A 50 50 GLY CA C 50 45.969 45.451 0.518 1
1 564 . 15 1 1 A 50 50 GLY N N 50 108.057 113.253 -5.196 1
1 565 . 15 1 1 A 51 51 TRP H H 51 8.427 8.821 -0.394 1
1 566 . 15 1 1 A 51 51 TRP HA H 51 4.877 5.330 -0.453 1
1 575 . 15 1 1 A 51 51 TRP C C 51 173.525 175.557 -2.032 1
1 576 . 15 1 1 A 51 51 TRP CA C 51 57.270 55.653 1.617 1
1 577 . 15 1 1 A 51 51 TRP CB C 51 32.690 33.993 -1.303 1
1 583 . 15 1 1 A 51 51 TRP N N 51 122.784 120.939 1.845 1
1 585 . 15 1 1 A 52 52 LEU H H 52 9.368 9.194 0.174 1
1 586 . 15 1 1 A 52 52 LEU HA H 52 4.987 4.918 0.069 1
1 596 . 15 1 1 A 52 52 LEU C C 52 173.005 174.280 -1.275 1
1 597 . 15 1 1 A 52 52 LEU CA C 52 52.634 52.860 -0.226 1
1 598 . 15 1 1 A 52 52 LEU CB C 52 43.833 43.052 0.781 1
1 602 . 15 1 1 A 52 52 LEU N N 52 121.750 123.074 -1.324 1
1 603 . 15 1 1 A 53 53 TYR H H 53 8.267 9.388 -1.121 1
1 604 . 15 1 1 A 53 53 TYR HA H 53 4.513 4.604 -0.091 1
1 611 . 15 1 1 A 53 53 TYR C C 53 176.111 175.105 1.006 1
1 612 . 15 1 1 A 53 53 TYR CA C 53 55.283 57.506 -2.223 1
1 613 . 15 1 1 A 53 53 TYR CB C 53 39.251 38.955 0.296 1
1 618 . 15 1 1 A 53 53 TYR N N 53 122.457 126.463 -4.006 1
1 619 . 15 1 1 A 54 54 GLY H H 54 8.238 7.859 0.379 1
1 620 . 15 1 1 A 54 54 GLY HA2 H 54 4.706 4.152 0.554 1
1 621 . 15 1 1 A 54 54 GLY HA3 H 54 3.802 4.400 -0.598 1
1 622 . 15 1 1 A 54 54 GLY C C 54 168.928 171.437 -2.509 1
1 623 . 15 1 1 A 54 54 GLY CA C 54 45.792 45.667 0.125 1
1 624 . 15 1 1 A 54 54 GLY N N 54 112.598 112.046 0.552 1
1 625 . 15 1 1 A 55 55 GLU H H 55 8.400 9.168 -0.768 1
1 626 . 15 1 1 A 55 55 GLU HA H 55 4.718 5.146 -0.428 1
1 631 . 15 1 1 A 55 55 GLU C C 55 175.540 175.610 -0.070 1
1 632 . 15 1 1 A 55 55 GLU CA C 55 53.268 54.698 -1.430 1
1 633 . 15 1 1 A 55 55 GLU CB C 55 34.264 32.483 1.781 1
1 635 . 15 1 1 A 55 55 GLU N N 55 118.345 120.713 -2.368 1
1 636 . 15 1 1 A 56 56 ARG H H 56 9.654 9.241 0.413 1
1 637 . 15 1 1 A 56 56 ARG HA H 56 4.309 4.299 0.010 1
1 645 . 15 1 1 A 56 56 ARG C C 56 176.838 176.890 -0.052 1
1 646 . 15 1 1 A 56 56 ARG CA C 56 57.492 56.783 0.709 1
1 647 . 15 1 1 A 56 56 ARG CB C 56 30.854 30.674 0.180 1
1 650 . 15 1 1 A 56 56 ARG N N 56 129.571 128.348 1.223 1
1 652 . 15 1 1 A 57 57 LEU H H 57 8.195 8.169 0.026 1
1 653 . 15 1 1 A 57 57 LEU HA H 57 4.021 4.237 -0.216 1
1 663 . 15 1 1 A 57 57 LEU C C 57 179.671 178.467 1.204 1
1 664 . 15 1 1 A 57 57 LEU CA C 57 58.338 57.671 0.667 1
1 665 . 15 1 1 A 57 57 LEU CB C 57 41.939 41.102 0.837 1
1 669 . 15 1 1 A 57 57 LEU N N 57 129.973 126.905 3.068 1
1 670 . 15 1 1 A 58 58 ARG H H 58 8.494 7.959 0.535 1
1 671 . 15 1 1 A 58 58 ARG HA H 58 4.112 3.937 0.175 1
1 678 . 15 1 1 A 58 58 ARG C C 58 176.402 177.705 -1.303 1
1 679 . 15 1 1 A 58 58 ARG CA C 58 59.139 59.583 -0.444 1
1 680 . 15 1 1 A 58 58 ARG CB C 58 30.106 30.149 -0.043 1
1 683 . 15 1 1 A 58 58 ARG N N 58 115.005 120.991 -5.986 1
1 684 . 15 1 1 A 59 59 ASP H H 59 7.392 8.281 -0.889 1
1 685 . 15 1 1 A 59 59 ASP HA H 59 4.803 4.723 0.080 1
1 688 . 15 1 1 A 59 59 ASP C C 59 176.801 176.840 -0.039 1
1 689 . 15 1 1 A 59 59 ASP CA C 59 52.827 53.764 -0.937 1
1 690 . 15 1 1 A 59 59 ASP CB C 59 42.144 42.721 -0.577 1
1 691 . 15 1 1 A 59 59 ASP N N 59 113.739 115.892 -2.153 1
1 692 . 15 1 1 A 60 60 GLY H H 60 8.435 8.502 -0.067 1
1 693 . 15 1 1 A 60 60 GLY HA2 H 60 4.125 3.983 0.142 1
1 694 . 15 1 1 A 60 60 GLY HA3 H 60 3.868 3.992 -0.124 1
1 695 . 15 1 1 A 60 60 GLY C C 60 174.707 174.490 0.217 1
1 696 . 15 1 1 A 60 60 GLY CA C 60 45.917 45.065 0.852 1
1 697 . 15 1 1 A 60 60 GLY N N 60 110.642 105.988 4.654 1
1 698 . 15 1 1 A 61 61 GLU H H 61 7.527 7.828 -0.301 1
1 699 . 15 1 1 A 61 61 GLU HA H 61 4.163 4.323 -0.160 1
1 704 . 15 1 1 A 61 61 GLU C C 61 176.225 175.722 0.503 1
1 705 . 15 1 1 A 61 61 GLU CA C 61 58.222 57.192 1.030 1
1 706 . 15 1 1 A 61 61 GLU CB C 61 29.825 30.402 -0.577 1
1 708 . 15 1 1 A 61 61 GLU N N 61 123.061 120.873 2.188 1
1 709 . 15 1 1 A 62 62 THR H H 62 8.451 8.768 -0.317 1
1 710 . 15 1 1 A 62 62 THR HA H 62 5.666 5.141 0.525 1
1 715 . 15 1 1 A 62 62 THR C C 62 174.469 173.948 0.521 1
1 716 . 15 1 1 A 62 62 THR CA C 62 59.826 60.477 -0.651 1
1 717 . 15 1 1 A 62 62 THR CB C 62 72.751 69.607 3.144 1
1 719 . 15 1 1 A 62 62 THR N N 62 117.411 121.085 -3.674 1
1 720 . 15 1 1 A 63 63 GLY H H 63 7.931 8.242 -0.311 1
1 721 . 15 1 1 A 63 63 GLY HA2 H 63 4.124 4.430 -0.306 1
1 722 . 15 1 1 A 63 63 GLY HA3 H 63 3.936 4.529 -0.593 1
1 723 . 15 1 1 A 63 63 GLY C C 63 170.896 171.920 -1.024 1
1 724 . 15 1 1 A 63 63 GLY CA C 63 45.652 45.394 0.258 1
1 725 . 15 1 1 A 63 63 GLY N N 63 108.439 112.183 -3.744 1
1 726 . 15 1 1 A 64 64 TRP H H 64 9.071 9.161 -0.090 1
1 727 . 15 1 1 A 64 64 TRP HA H 64 6.061 5.661 0.400 1
1 736 . 15 1 1 A 64 64 TRP C C 64 177.395 176.674 0.721 1
1 737 . 15 1 1 A 64 64 TRP CA C 64 57.259 56.614 0.645 1
1 738 . 15 1 1 A 64 64 TRP CB C 64 31.882 30.961 0.921 1
1 744 . 15 1 1 A 64 64 TRP N N 64 119.762 120.707 -0.945 1
1 746 . 15 1 1 A 65 65 PHE H H 65 9.657 9.376 0.281 1
1 747 . 15 1 1 A 65 65 PHE HA H 65 4.823 5.726 -0.903 1
1 755 . 15 1 1 A 65 65 PHE C C 65 170.814 173.343 -2.529 1
1 756 . 15 1 1 A 65 65 PHE CA C 65 55.578 54.967 0.611 1
1 757 . 15 1 1 A 65 65 PHE CB C 65 38.245 42.294 -4.049 1
1 763 . 15 1 1 A 65 65 PHE N N 65 116.076 120.572 -4.496 1
1 764 . 15 1 1 A 66 66 PRO HA H 66 3.546 4.285 -0.739 1
1 771 . 15 1 1 A 66 66 PRO C C 66 177.963 177.770 0.193 1
1 772 . 15 1 1 A 66 66 PRO CA C 66 62.065 62.239 -0.174 1
1 773 . 15 1 1 A 66 66 PRO CB C 66 31.116 31.967 -0.851 1
1 776 . 15 1 1 A 67 67 GLU H H 67 8.081 8.597 -0.516 1
1 777 . 15 1 1 A 67 67 GLU HA H 67 3.651 4.107 -0.456 1
1 782 . 15 1 1 A 67 67 GLU C C 67 177.298 178.916 -1.618 1
1 783 . 15 1 1 A 67 67 GLU CA C 67 58.746 59.241 -0.495 1
1 784 . 15 1 1 A 67 67 GLU CB C 67 29.820 29.064 0.756 1
1 786 . 15 1 1 A 67 67 GLU N N 67 121.549 122.202 -0.653 1
1 787 . 15 1 1 A 68 68 ASP H H 68 8.456 8.182 0.274 1
1 788 . 15 1 1 A 68 68 ASP HA H 68 4.539 4.297 0.242 1
1 791 . 15 1 1 A 68 68 ASP C C 68 176.157 177.392 -1.235 1
1 792 . 15 1 1 A 68 68 ASP CA C 68 55.225 56.732 -1.507 1
1 793 . 15 1 1 A 68 68 ASP CB C 68 39.633 40.573 -0.940 1
1 794 . 15 1 1 A 68 68 ASP N N 68 113.915 120.761 -6.846 1
1 795 . 15 1 1 A 69 69 PHE H H 69 7.661 7.568 0.093 1
1 796 . 15 1 1 A 69 69 PHE HA H 69 4.386 4.611 -0.225 1
1 803 . 15 1 1 A 69 69 PHE C C 69 173.252 174.639 -1.387 1
1 804 . 15 1 1 A 69 69 PHE CA C 69 57.758 57.165 0.593 1
1 805 . 15 1 1 A 69 69 PHE CB C 69 37.019 38.569 -1.550 1
1 810 . 15 1 1 A 69 69 PHE N N 69 119.727 116.519 3.208 1
1 811 . 15 1 1 A 70 70 ALA H H 70 7.809 8.168 -0.359 1
1 812 . 15 1 1 A 70 70 ALA HA H 70 5.256 4.898 0.358 1
1 816 . 15 1 1 A 70 70 ALA C C 70 175.703 175.039 0.664 1
1 817 . 15 1 1 A 70 70 ALA CA C 70 50.800 51.365 -0.565 1
1 818 . 15 1 1 A 70 70 ALA CB C 70 24.061 22.736 1.325 1
1 819 . 15 1 1 A 70 70 ALA N N 70 121.782 120.895 0.887 1
1 820 . 15 1 1 A 71 71 ARG H H 71 8.792 8.171 0.621 1
1 821 . 15 1 1 A 71 71 ARG HA H 71 4.828 5.070 -0.242 1
1 828 . 15 1 1 A 71 71 ARG C C 71 175.613 175.749 -0.136 1
1 829 . 15 1 1 A 71 71 ARG CA C 71 54.220 54.494 -0.274 1
1 830 . 15 1 1 A 71 71 ARG CB C 71 33.286 32.322 0.964 1
1 833 . 15 1 1 A 71 71 ARG N N 71 119.543 118.805 0.738 1
1 834 . 15 1 1 A 72 72 PHE H H 72 9.194 8.790 0.404 1
1 835 . 15 1 1 A 72 72 PHE HA H 72 4.604 4.466 0.138 1
1 843 . 15 1 1 A 72 72 PHE C C 72 176.818 176.255 0.563 1
1 844 . 15 1 1 A 72 72 PHE CA C 72 59.896 59.653 0.243 1
1 845 . 15 1 1 A 72 72 PHE CB C 72 39.079 39.729 -0.650 1
1 851 . 15 1 1 A 72 72 PHE N N 72 125.006 124.237 0.769 1
1 852 . 15 1 1 A 73 73 ILE H H 73 8.574 8.675 -0.101 1
1 853 . 15 1 1 A 73 73 ILE HA H 73 4.390 4.602 -0.212 1
1 863 . 15 1 1 A 73 73 ILE C C 73 176.086 176.465 -0.379 1
1 864 . 15 1 1 A 73 73 ILE CA C 73 61.450 60.111 1.339 1
1 865 . 15 1 1 A 73 73 ILE CB C 73 39.508 37.850 1.658 1
1 869 . 15 1 1 A 73 73 ILE N N 73 120.816 123.884 -3.068 1
1 870 . 15 1 1 A 74 74 SER H H 74 8.329 8.943 -0.614 1
1 871 . 15 1 1 A 74 74 SER HA H 74 4.626 4.145 0.481 1
1 874 . 15 1 1 A 74 74 SER C C 74 174.223 173.531 0.692 1
1 875 . 15 1 1 A 74 74 SER CA C 74 58.169 59.199 -1.030 1
1 876 . 15 1 1 A 74 74 SER CB C 74 64.370 61.923 2.447 1
1 877 . 15 1 1 A 74 74 SER N N 74 118.251 122.014 -3.763 1
1 878 . 15 1 1 A 75 75 GLY H H 75 8.372 7.906 0.466 1
1 879 . 15 1 1 A 75 75 GLY HA2 H 75 4.149 4.197 -0.048 1
1 880 . 15 1 1 A 75 75 GLY HA3 H 75 4.149 4.214 -0.065 1
1 881 . 15 1 1 A 75 75 GLY C C 75 171.907 172.281 -0.374 1
1 882 . 15 1 1 A 75 75 GLY CA C 75 44.682 45.645 -0.963 1
1 883 . 15 1 1 A 75 75 GLY N N 75 109.951 107.234 2.717 1
1 884 . 15 1 1 A 76 76 PRO HA H 76 4.456 4.681 -0.225 1
1 891 . 15 1 1 A 76 76 PRO CA C 76 63.394 62.215 1.179 1
1 892 . 15 1 1 A 76 76 PRO CB C 76 32.180 28.952 3.228 1
1 1 . 16 1 1 A 6 6 SER HA H 6 4.486 4.491 -0.005 1
1 3 . 16 1 1 A 6 6 SER CA C 6 58.492 58.549 -0.057 1
1 4 . 16 1 1 A 6 6 SER CB C 6 64.343 64.437 -0.094 1
1 5 . 16 1 1 A 7 7 GLY H H 7 8.044 8.359 -0.315 1
1 6 . 16 1 1 A 7 7 GLY HA2 H 7 4.458 4.216 0.242 1
1 7 . 16 1 1 A 7 7 GLY HA3 H 7 3.780 4.266 -0.486 1
1 8 . 16 1 1 A 7 7 GLY C C 7 174.131 173.762 0.369 1
1 9 . 16 1 1 A 7 7 GLY CA C 7 45.458 46.112 -0.654 1
1 10 . 16 1 1 A 7 7 GLY N N 7 116.867 107.497 9.370 1
1 11 . 16 1 1 A 8 8 TRP H H 8 8.111 8.795 -0.684 1
1 12 . 16 1 1 A 8 8 TRP HA H 8 4.626 4.652 -0.026 1
1 21 . 16 1 1 A 8 8 TRP C C 8 176.673 176.786 -0.113 1
1 22 . 16 1 1 A 8 8 TRP CA C 8 57.729 59.209 -1.480 1
1 23 . 16 1 1 A 8 8 TRP CB C 8 29.413 30.292 -0.879 1
1 29 . 16 1 1 A 8 8 TRP N N 8 121.258 123.505 -2.247 1
1 31 . 16 1 1 A 9 9 GLN H H 9 8.229 7.672 0.557 1
1 32 . 16 1 1 A 9 9 GLN HA H 9 4.133 4.676 -0.543 1
1 39 . 16 1 1 A 9 9 GLN C C 9 176.147 175.258 0.889 1
1 40 . 16 1 1 A 9 9 GLN CA C 9 56.283 57.277 -0.994 1
1 41 . 16 1 1 A 9 9 GLN CB C 9 29.125 31.232 -2.107 1
1 43 . 16 1 1 A 9 9 GLN N N 9 122.756 113.476 9.280 1
1 45 . 16 1 1 A 10 10 GLY H H 10 7.500 7.545 -0.045 1
1 46 . 16 1 1 A 10 10 GLY HA2 H 10 3.744 4.135 -0.391 1
1 47 . 16 1 1 A 10 10 GLY HA3 H 10 3.714 4.140 -0.426 1
1 48 . 16 1 1 A 10 10 GLY C C 10 174.092 172.506 1.586 1
1 49 . 16 1 1 A 10 10 GLY CA C 10 45.335 45.631 -0.296 1
1 50 . 16 1 1 A 10 10 GLY N N 10 108.221 106.015 2.206 1
1 51 . 16 1 1 A 11 11 LEU H H 11 8.029 8.871 -0.842 1
1 52 . 16 1 1 A 11 11 LEU HA H 11 4.368 4.867 -0.499 1
1 62 . 16 1 1 A 11 11 LEU C C 11 177.808 175.802 2.006 1
1 63 . 16 1 1 A 11 11 LEU CA C 11 55.348 54.196 1.152 1
1 64 . 16 1 1 A 11 11 LEU CB C 11 42.515 43.715 -1.200 1
1 68 . 16 1 1 A 11 11 LEU N N 11 121.136 124.546 -3.410 1
1 69 . 16 1 1 A 12 12 SER H H 12 8.388 8.788 -0.400 1
1 70 . 16 1 1 A 12 12 SER HA H 12 4.370 4.645 -0.275 1
1 73 . 16 1 1 A 12 12 SER CA C 12 58.716 59.347 -0.631 1
1 74 . 16 1 1 A 12 12 SER CB C 12 63.835 64.873 -1.038 1
1 75 . 16 1 1 A 12 12 SER N N 12 116.252 119.998 -3.746 1
1 76 . 16 1 1 A 13 13 SER HA H 13 4.481 4.410 0.071 1
1 79 . 16 1 1 A 13 13 SER C C 13 175.161 173.891 1.270 1
1 80 . 16 1 1 A 13 13 SER CA C 13 58.442 59.544 -1.102 1
1 81 . 16 1 1 A 13 13 SER CB C 13 63.798 62.271 1.527 1
1 82 . 16 1 1 A 14 14 LYS H H 14 8.372 8.385 -0.013 1
1 83 . 16 1 1 A 14 14 LYS HA H 14 4.226 5.147 -0.921 1
1 92 . 16 1 1 A 14 14 LYS C C 14 177.249 174.907 2.342 1
1 93 . 16 1 1 A 14 14 LYS CA C 14 57.303 55.083 2.220 1
1 94 . 16 1 1 A 14 14 LYS CB C 14 32.694 35.562 -2.868 1
1 98 . 16 1 1 A 14 14 LYS N N 14 123.245 122.237 1.008 1
1 99 . 16 1 1 A 15 15 GLY H H 15 8.213 8.408 -0.195 1
1 100 . 16 1 1 A 15 15 GLY HA2 H 15 3.924 4.246 -0.322 1
1 101 . 16 1 1 A 15 15 GLY HA3 H 15 3.924 4.248 -0.324 1
1 102 . 16 1 1 A 15 15 GLY C C 15 173.863 171.700 2.163 1
1 103 . 16 1 1 A 15 15 GLY CA C 15 45.599 46.298 -0.699 1
1 104 . 16 1 1 A 15 15 GLY N N 15 107.368 106.690 0.678 1
1 105 . 16 1 1 A 16 16 ASP H H 16 8.091 8.498 -0.407 1
1 106 . 16 1 1 A 16 16 ASP HA H 16 4.711 5.041 -0.330 1
1 109 . 16 1 1 A 16 16 ASP C C 16 176.074 175.315 0.759 1
1 110 . 16 1 1 A 16 16 ASP CA C 16 54.167 53.384 0.783 1
1 111 . 16 1 1 A 16 16 ASP CB C 16 41.155 40.972 0.183 1
1 112 . 16 1 1 A 16 16 ASP N N 16 119.368 124.878 -5.510 1
1 113 . 16 1 1 A 17 17 LEU H H 17 7.757 8.421 -0.664 1
1 114 . 16 1 1 A 17 17 LEU HA H 17 4.641 4.592 0.049 1
1 124 . 16 1 1 A 17 17 LEU C C 17 174.627 174.589 0.038 1
1 125 . 16 1 1 A 17 17 LEU CA C 17 53.286 52.798 0.488 1
1 126 . 16 1 1 A 17 17 LEU CB C 17 41.003 41.026 -0.023 1
1 130 . 16 1 1 A 17 17 LEU N N 17 122.770 126.155 -3.385 1
1 131 . 16 1 1 A 18 18 PRO HA H 18 4.619 4.780 -0.161 1
1 138 . 16 1 1 A 18 18 PRO C C 18 175.014 175.647 -0.633 1
1 139 . 16 1 1 A 18 18 PRO CA C 18 62.756 62.464 0.292 1
1 140 . 16 1 1 A 18 18 PRO CB C 18 32.631 32.934 -0.303 1
1 143 . 16 1 1 A 19 19 GLN H H 19 8.295 8.440 -0.145 1
1 144 . 16 1 1 A 19 19 GLN HA H 19 5.396 5.041 0.355 1
1 151 . 16 1 1 A 19 19 GLN C C 19 176.012 174.679 1.333 1
1 152 . 16 1 1 A 19 19 GLN CA C 19 54.094 54.115 -0.021 1
1 153 . 16 1 1 A 19 19 GLN CB C 19 32.478 32.319 0.159 1
1 155 . 16 1 1 A 19 19 GLN N N 19 117.612 119.500 -1.888 1
1 157 . 16 1 1 A 20 20 VAL H H 20 9.005 8.368 0.637 1
1 158 . 16 1 1 A 20 20 VAL HA H 20 5.133 5.055 0.078 1
1 166 . 16 1 1 A 20 20 VAL C C 20 173.875 173.519 0.356 1
1 167 . 16 1 1 A 20 20 VAL CA C 20 57.486 58.898 -1.412 1
1 168 . 16 1 1 A 20 20 VAL CB C 20 35.076 35.257 -0.181 1
1 171 . 16 1 1 A 20 20 VAL N N 20 112.092 117.720 -5.628 1
1 172 . 16 1 1 A 21 21 GLU H H 21 8.901 9.131 -0.230 1
1 173 . 16 1 1 A 21 21 GLU HA H 21 5.199 4.999 0.200 1
1 178 . 16 1 1 A 21 21 GLU C C 21 175.780 175.442 0.338 1
1 179 . 16 1 1 A 21 21 GLU CA C 21 53.268 54.897 -1.629 1
1 180 . 16 1 1 A 21 21 GLU CB C 21 32.997 31.199 1.798 1
1 182 . 16 1 1 A 21 21 GLU N N 21 119.970 122.858 -2.888 1
1 183 . 16 1 1 A 22 22 ILE H H 22 8.656 9.665 -1.009 1
1 184 . 16 1 1 A 22 22 ILE HA H 22 4.742 4.426 0.316 1
1 194 . 16 1 1 A 22 22 ILE C C 22 179.107 178.073 1.034 1
1 195 . 16 1 1 A 22 22 ILE CA C 22 58.064 61.728 -3.664 1
1 196 . 16 1 1 A 22 22 ILE CB C 22 34.481 36.648 -2.167 1
1 200 . 16 1 1 A 22 22 ILE N N 22 125.654 128.070 -2.416 1
1 201 . 16 1 1 A 23 23 THR H H 23 9.206 8.255 0.951 1
1 202 . 16 1 1 A 23 23 THR HA H 23 4.230 3.984 0.246 1
1 207 . 16 1 1 A 23 23 THR C C 23 174.481 174.562 -0.081 1
1 208 . 16 1 1 A 23 23 THR CA C 23 62.787 65.685 -2.898 1
1 209 . 16 1 1 A 23 23 THR CB C 23 68.779 68.921 -0.142 1
1 211 . 16 1 1 A 23 23 THR N N 23 122.259 121.046 1.213 1
1 212 . 16 1 1 A 24 24 LYS H H 24 7.443 7.575 -0.132 1
1 213 . 16 1 1 A 24 24 LYS HA H 24 4.332 4.826 -0.494 1
1 222 . 16 1 1 A 24 24 LYS C C 24 172.169 175.248 -3.079 1
1 223 . 16 1 1 A 24 24 LYS CA C 24 55.154 54.383 0.771 1
1 224 . 16 1 1 A 24 24 LYS CB C 24 35.137 35.312 -0.175 1
1 228 . 16 1 1 A 24 24 LYS N N 24 121.874 118.205 3.669 1
1 229 . 16 1 1 A 25 25 ALA H H 25 8.259 8.533 -0.274 1
1 230 . 16 1 1 A 25 25 ALA HA H 25 3.914 4.591 -0.677 1
1 234 . 16 1 1 A 25 25 ALA C C 25 176.411 176.538 -0.127 1
1 235 . 16 1 1 A 25 25 ALA CA C 25 53.409 52.660 0.749 1
1 236 . 16 1 1 A 25 25 ALA CB C 25 19.113 18.895 0.218 1
1 237 . 16 1 1 A 25 25 ALA N N 25 121.708 124.577 -2.869 1
1 238 . 16 1 1 A 26 26 PHE H H 26 8.058 8.475 -0.417 1
1 239 . 16 1 1 A 26 26 PHE HA H 26 4.742 4.786 -0.044 1
1 247 . 16 1 1 A 26 26 PHE C C 26 172.769 174.609 -1.840 1
1 248 . 16 1 1 A 26 26 PHE CA C 26 56.354 56.326 0.028 1
1 249 . 16 1 1 A 26 26 PHE CB C 26 42.608 40.050 2.558 1
1 255 . 16 1 1 A 26 26 PHE N N 26 121.151 122.022 -0.871 1
1 256 . 16 1 1 A 27 27 PHE H H 27 7.752 8.110 -0.358 1
1 257 . 16 1 1 A 27 27 PHE HA H 27 4.469 4.325 0.144 1
1 265 . 16 1 1 A 27 27 PHE C C 27 173.594 175.419 -1.825 1
1 266 . 16 1 1 A 27 27 PHE CA C 27 56.088 58.877 -2.789 1
1 267 . 16 1 1 A 27 27 PHE CB C 27 39.425 38.990 0.435 1
1 273 . 16 1 1 A 27 27 PHE N N 27 125.818 126.051 -0.233 1
1 274 . 16 1 1 A 28 28 ALA H H 28 8.045 8.429 -0.384 1
1 275 . 16 1 1 A 28 28 ALA HA H 28 4.002 3.912 0.090 1
1 279 . 16 1 1 A 28 28 ALA C C 28 178.303 178.349 -0.046 1
1 280 . 16 1 1 A 28 28 ALA CA C 28 52.898 52.928 -0.030 1
1 281 . 16 1 1 A 28 28 ALA CB C 28 20.853 19.085 1.768 1
1 282 . 16 1 1 A 28 28 ALA N N 28 126.105 127.412 -1.307 1
1 283 . 16 1 1 A 29 29 LYS H H 29 9.282 9.235 0.047 1
1 284 . 16 1 1 A 29 29 LYS HA H 29 4.524 4.642 -0.118 1
1 293 . 16 1 1 A 29 29 LYS C C 29 176.347 176.535 -0.188 1
1 294 . 16 1 1 A 29 29 LYS CA C 29 56.187 56.719 -0.532 1
1 295 . 16 1 1 A 29 29 LYS CB C 29 34.585 34.326 0.259 1
1 299 . 16 1 1 A 29 29 LYS N N 29 120.760 119.352 1.408 1
1 300 . 16 1 1 A 30 30 GLN H H 30 7.738 8.132 -0.394 1
1 301 . 16 1 1 A 30 30 GLN HA H 30 4.657 4.462 0.195 1
1 308 . 16 1 1 A 30 30 GLN C C 30 177.059 176.173 0.886 1
1 309 . 16 1 1 A 30 30 GLN CA C 30 53.885 54.873 -0.988 1
1 310 . 16 1 1 A 30 30 GLN CB C 30 31.349 30.171 1.178 1
1 312 . 16 1 1 A 30 30 GLN N N 30 116.957 119.020 -2.063 1
1 314 . 16 1 1 A 31 31 ALA H H 31 8.719 8.348 0.371 1
1 315 . 16 1 1 A 31 31 ALA HA H 31 4.189 4.340 -0.151 1
1 319 . 16 1 1 A 31 31 ALA C C 31 177.686 177.917 -0.231 1
1 320 . 16 1 1 A 31 31 ALA CA C 31 54.960 52.773 2.187 1
1 321 . 16 1 1 A 31 31 ALA CB C 31 18.859 19.597 -0.738 1
1 322 . 16 1 1 A 31 31 ALA N N 31 122.985 123.439 -0.454 1
1 323 . 16 1 1 A 32 32 ASP H H 32 8.436 8.296 0.140 1
1 324 . 16 1 1 A 32 32 ASP HA H 32 4.904 4.817 0.087 1
1 327 . 16 1 1 A 32 32 ASP C C 32 176.845 176.288 0.557 1
1 328 . 16 1 1 A 32 32 ASP CA C 32 54.044 53.886 0.158 1
1 329 . 16 1 1 A 32 32 ASP CB C 32 40.166 41.314 -1.148 1
1 330 . 16 1 1 A 32 32 ASP N N 32 113.224 116.066 -2.842 1
1 331 . 16 1 1 A 33 33 GLU H H 33 7.632 8.031 -0.399 1
1 332 . 16 1 1 A 33 33 GLU HA H 33 5.578 5.107 0.471 1
1 337 . 16 1 1 A 33 33 GLU C C 33 175.518 175.530 -0.012 1
1 338 . 16 1 1 A 33 33 GLU CA C 33 55.437 55.866 -0.429 1
1 339 . 16 1 1 A 33 33 GLU CB C 33 33.079 31.247 1.832 1
1 341 . 16 1 1 A 33 33 GLU N N 33 119.902 120.498 -0.596 1
1 342 . 16 1 1 A 34 34 VAL H H 34 8.311 9.087 -0.776 1
1 343 . 16 1 1 A 34 34 VAL HA H 34 4.791 4.952 -0.161 1
1 351 . 16 1 1 A 34 34 VAL C C 34 171.861 174.594 -2.733 1
1 352 . 16 1 1 A 34 34 VAL CA C 34 58.152 60.275 -2.123 1
1 353 . 16 1 1 A 34 34 VAL CB C 34 35.881 35.709 0.172 1
1 356 . 16 1 1 A 34 34 VAL N N 34 119.872 121.128 -1.256 1
1 357 . 16 1 1 A 35 35 THR H H 35 8.047 8.742 -0.695 1
1 358 . 16 1 1 A 35 35 THR HA H 35 4.559 4.750 -0.191 1
1 363 . 16 1 1 A 35 35 THR C C 35 174.643 174.266 0.377 1
1 364 . 16 1 1 A 35 35 THR CA C 35 62.859 63.509 -0.650 1
1 365 . 16 1 1 A 35 35 THR CB C 35 69.626 68.957 0.669 1
1 367 . 16 1 1 A 35 35 THR N N 35 123.767 123.423 0.344 1
1 368 . 16 1 1 A 36 36 LEU H H 36 9.001 8.762 0.239 1
1 369 . 16 1 1 A 36 36 LEU HA H 36 4.571 5.106 -0.535 1
1 379 . 16 1 1 A 36 36 LEU C C 36 176.087 175.725 0.362 1
1 380 . 16 1 1 A 36 36 LEU CA C 36 53.374 53.840 -0.466 1
1 381 . 16 1 1 A 36 36 LEU CB C 36 47.954 45.884 2.070 1
1 385 . 16 1 1 A 36 36 LEU N N 36 127.439 126.812 0.627 1
1 386 . 16 1 1 A 37 37 GLN H H 37 8.889 8.814 0.075 1
1 387 . 16 1 1 A 37 37 GLN HA H 37 4.298 4.735 -0.437 1
1 394 . 16 1 1 A 37 37 GLN C C 37 175.508 175.399 0.109 1
1 395 . 16 1 1 A 37 37 GLN CA C 37 53.621 53.979 -0.358 1
1 396 . 16 1 1 A 37 37 GLN CB C 37 30.567 31.591 -1.024 1
1 398 . 16 1 1 A 37 37 GLN N N 37 121.687 120.344 1.343 1
1 400 . 16 1 1 A 38 38 GLN H H 38 8.517 8.574 -0.057 1
1 401 . 16 1 1 A 38 38 GLN HA H 38 3.378 3.904 -0.526 1
1 408 . 16 1 1 A 38 38 GLN C C 38 176.738 176.486 0.252 1
1 409 . 16 1 1 A 38 38 GLN CA C 38 58.584 57.191 1.393 1
1 410 . 16 1 1 A 38 38 GLN CB C 38 28.151 28.569 -0.418 1
1 412 . 16 1 1 A 38 38 GLN N N 38 120.664 121.770 -1.106 1
1 414 . 16 1 1 A 39 39 ALA H H 39 9.200 9.729 -0.529 1
1 415 . 16 1 1 A 39 39 ALA HA H 39 3.948 3.854 0.094 1
1 419 . 16 1 1 A 39 39 ALA C C 39 177.251 175.646 1.605 1
1 420 . 16 1 1 A 39 39 ALA CA C 39 54.731 53.129 1.602 1
1 421 . 16 1 1 A 39 39 ALA CB C 39 17.134 17.477 -0.343 1
1 422 . 16 1 1 A 39 39 ALA N N 39 123.253 123.639 -0.386 1
1 423 . 16 1 1 A 40 40 ASP H H 40 8.025 7.211 0.814 1
1 424 . 16 1 1 A 40 40 ASP HA H 40 4.498 5.115 -0.617 1
1 427 . 16 1 1 A 40 40 ASP C C 40 175.010 174.864 0.146 1
1 428 . 16 1 1 A 40 40 ASP CA C 40 56.407 52.982 3.425 1
1 429 . 16 1 1 A 40 40 ASP CB C 40 41.713 43.243 -1.530 1
1 430 . 16 1 1 A 40 40 ASP N N 40 121.075 115.892 5.183 1
1 431 . 16 1 1 A 41 41 VAL H H 41 7.518 8.810 -1.292 1
1 432 . 16 1 1 A 41 41 VAL HA H 41 5.060 4.791 0.269 1
1 440 . 16 1 1 A 41 41 VAL C C 41 176.546 174.945 1.601 1
1 441 . 16 1 1 A 41 41 VAL CA C 41 61.818 61.607 0.211 1
1 442 . 16 1 1 A 41 41 VAL CB C 41 32.997 32.937 0.060 1
1 445 . 16 1 1 A 41 41 VAL N N 41 119.767 123.359 -3.592 1
1 446 . 16 1 1 A 42 42 VAL H H 42 9.086 8.547 0.539 1
1 447 . 16 1 1 A 42 42 VAL HA H 42 4.528 4.524 0.004 1
1 455 . 16 1 1 A 42 42 VAL C C 42 173.762 174.346 -0.584 1
1 456 . 16 1 1 A 42 42 VAL CA C 42 60.363 60.438 -0.075 1
1 457 . 16 1 1 A 42 42 VAL CB C 42 35.736 35.947 -0.211 1
1 460 . 16 1 1 A 42 42 VAL N N 42 129.212 127.244 1.968 1
1 461 . 16 1 1 A 43 43 LEU H H 43 8.855 8.639 0.216 1
1 462 . 16 1 1 A 43 43 LEU HA H 43 4.651 4.760 -0.109 1
1 472 . 16 1 1 A 43 43 LEU C C 43 175.853 175.556 0.297 1
1 473 . 16 1 1 A 43 43 LEU CA C 43 54.132 54.027 0.105 1
1 474 . 16 1 1 A 43 43 LEU CB C 43 44.039 43.198 0.841 1
1 478 . 16 1 1 A 43 43 LEU N N 43 128.624 129.480 -0.856 1
1 479 . 16 1 1 A 44 44 VAL H H 44 8.835 9.129 -0.294 1
1 480 . 16 1 1 A 44 44 VAL HA H 44 3.837 4.443 -0.606 1
1 488 . 16 1 1 A 44 44 VAL C C 44 174.445 175.697 -1.252 1
1 489 . 16 1 1 A 44 44 VAL CA C 44 64.603 63.671 0.932 1
1 490 . 16 1 1 A 44 44 VAL CB C 44 32.325 32.152 0.173 1
1 493 . 16 1 1 A 44 44 VAL N N 44 126.525 127.901 -1.376 1
1 494 . 16 1 1 A 45 45 LEU H H 45 9.166 10.144 -0.978 1
1 495 . 16 1 1 A 45 45 LEU HA H 45 4.488 4.524 -0.036 1
1 505 . 16 1 1 A 45 45 LEU C C 45 177.820 176.593 1.227 1
1 506 . 16 1 1 A 45 45 LEU CA C 45 56.137 55.640 0.497 1
1 507 . 16 1 1 A 45 45 LEU CB C 45 43.957 43.585 0.372 1
1 511 . 16 1 1 A 45 45 LEU N N 45 127.543 126.860 0.683 1
1 512 . 16 1 1 A 46 46 GLN H H 46 8.074 7.452 0.622 1
1 513 . 16 1 1 A 46 46 GLN HA H 46 4.643 4.755 -0.112 1
1 520 . 16 1 1 A 46 46 GLN C C 46 173.225 173.984 -0.759 1
1 521 . 16 1 1 A 46 46 GLN CA C 46 55.277 54.766 0.511 1
1 522 . 16 1 1 A 46 46 GLN CB C 46 33.285 32.113 1.172 1
1 524 . 16 1 1 A 46 46 GLN N N 46 115.961 116.684 -0.723 1
1 526 . 16 1 1 A 47 47 GLN H H 47 8.683 8.954 -0.271 1
1 527 . 16 1 1 A 47 47 GLN HA H 47 5.194 5.008 0.186 1
1 534 . 16 1 1 A 47 47 GLN C C 47 174.366 174.374 -0.008 1
1 535 . 16 1 1 A 47 47 GLN CA C 47 55.243 54.689 0.554 1
1 536 . 16 1 1 A 47 47 GLN CB C 47 31.473 30.881 0.592 1
1 538 . 16 1 1 A 47 47 GLN N N 47 121.742 123.305 -1.563 1
1 540 . 16 1 1 A 48 48 GLU H H 48 9.201 9.270 -0.069 1
1 541 . 16 1 1 A 48 48 GLU HA H 48 4.669 5.061 -0.392 1
1 546 . 16 1 1 A 48 48 GLU C C 48 175.622 175.263 0.359 1
1 547 . 16 1 1 A 48 48 GLU CA C 48 56.134 54.710 1.424 1
1 548 . 16 1 1 A 48 48 GLU CB C 48 33.098 33.014 0.084 1
1 550 . 16 1 1 A 48 48 GLU N N 48 124.529 124.578 -0.049 1
1 551 . 16 1 1 A 49 49 ASP H H 49 9.177 8.793 0.384 1
1 552 . 16 1 1 A 49 49 ASP HA H 49 4.424 4.329 0.095 1
1 555 . 16 1 1 A 49 49 ASP C C 49 175.771 176.900 -1.129 1
1 556 . 16 1 1 A 49 49 ASP CA C 49 56.001 56.002 -0.001 1
1 557 . 16 1 1 A 49 49 ASP CB C 49 40.478 40.351 0.127 1
1 558 . 16 1 1 A 49 49 ASP N N 49 125.649 127.617 -1.968 1
1 559 . 16 1 1 A 50 50 GLY H H 50 8.750 8.750 0.000 1
1 560 . 16 1 1 A 50 50 GLY HA2 H 50 4.266 3.996 0.270 1
1 561 . 16 1 1 A 50 50 GLY HA3 H 50 3.753 4.103 -0.350 1
1 562 . 16 1 1 A 50 50 GLY C C 50 174.455 173.633 0.822 1
1 563 . 16 1 1 A 50 50 GLY CA C 50 45.969 45.407 0.562 1
1 564 . 16 1 1 A 50 50 GLY N N 50 108.057 113.242 -5.185 1
1 565 . 16 1 1 A 51 51 TRP H H 51 8.427 8.865 -0.438 1
1 566 . 16 1 1 A 51 51 TRP HA H 51 4.877 5.286 -0.409 1
1 575 . 16 1 1 A 51 51 TRP C C 51 173.525 175.341 -1.816 1
1 576 . 16 1 1 A 51 51 TRP CA C 51 57.270 55.639 1.631 1
1 577 . 16 1 1 A 51 51 TRP CB C 51 32.690 33.894 -1.204 1
1 583 . 16 1 1 A 51 51 TRP N N 51 122.784 120.823 1.961 1
1 585 . 16 1 1 A 52 52 LEU H H 52 9.368 8.767 0.601 1
1 586 . 16 1 1 A 52 52 LEU HA H 52 4.987 4.969 0.018 1
1 596 . 16 1 1 A 52 52 LEU C C 52 173.005 173.765 -0.760 1
1 597 . 16 1 1 A 52 52 LEU CA C 52 52.634 53.389 -0.755 1
1 598 . 16 1 1 A 52 52 LEU CB C 52 43.833 44.838 -1.005 1
1 602 . 16 1 1 A 52 52 LEU N N 52 121.750 121.441 0.309 1
1 603 . 16 1 1 A 53 53 TYR H H 53 8.267 9.693 -1.426 1
1 604 . 16 1 1 A 53 53 TYR HA H 53 4.513 4.686 -0.173 1
1 611 . 16 1 1 A 53 53 TYR C C 53 176.111 174.278 1.833 1
1 612 . 16 1 1 A 53 53 TYR CA C 53 55.283 55.200 0.083 1
1 613 . 16 1 1 A 53 53 TYR CB C 53 39.251 40.492 -1.241 1
1 618 . 16 1 1 A 53 53 TYR N N 53 122.457 125.242 -2.785 1
1 619 . 16 1 1 A 54 54 GLY H H 54 8.238 7.819 0.419 1
1 620 . 16 1 1 A 54 54 GLY HA2 H 54 4.706 4.093 0.613 1
1 621 . 16 1 1 A 54 54 GLY HA3 H 54 3.802 4.362 -0.560 1
1 622 . 16 1 1 A 54 54 GLY C C 54 168.928 171.414 -2.486 1
1 623 . 16 1 1 A 54 54 GLY CA C 54 45.792 45.624 0.168 1
1 624 . 16 1 1 A 54 54 GLY N N 54 112.598 111.654 0.944 1
1 625 . 16 1 1 A 55 55 GLU H H 55 8.400 9.192 -0.792 1
1 626 . 16 1 1 A 55 55 GLU HA H 55 4.718 4.931 -0.213 1
1 631 . 16 1 1 A 55 55 GLU C C 55 175.540 175.542 -0.002 1
1 632 . 16 1 1 A 55 55 GLU CA C 55 53.268 54.773 -1.505 1
1 633 . 16 1 1 A 55 55 GLU CB C 55 34.264 32.568 1.696 1
1 635 . 16 1 1 A 55 55 GLU N N 55 118.345 120.684 -2.339 1
1 636 . 16 1 1 A 56 56 ARG H H 56 9.654 9.026 0.628 1
1 637 . 16 1 1 A 56 56 ARG HA H 56 4.309 4.299 0.010 1
1 645 . 16 1 1 A 56 56 ARG C C 56 176.838 176.988 -0.150 1
1 646 . 16 1 1 A 56 56 ARG CA C 56 57.492 57.014 0.478 1
1 647 . 16 1 1 A 56 56 ARG CB C 56 30.854 30.812 0.042 1
1 650 . 16 1 1 A 56 56 ARG N N 56 129.571 128.745 0.826 1
1 652 . 16 1 1 A 57 57 LEU H H 57 8.195 8.229 -0.034 1
1 653 . 16 1 1 A 57 57 LEU HA H 57 4.021 4.138 -0.117 1
1 663 . 16 1 1 A 57 57 LEU C C 57 179.671 178.992 0.679 1
1 664 . 16 1 1 A 57 57 LEU CA C 57 58.338 56.834 1.504 1
1 665 . 16 1 1 A 57 57 LEU CB C 57 41.939 41.412 0.527 1
1 669 . 16 1 1 A 57 57 LEU N N 57 129.973 127.308 2.665 1
1 670 . 16 1 1 A 58 58 ARG H H 58 8.494 8.227 0.267 1
1 671 . 16 1 1 A 58 58 ARG HA H 58 4.112 4.000 0.112 1
1 678 . 16 1 1 A 58 58 ARG C C 58 176.402 177.901 -1.499 1
1 679 . 16 1 1 A 58 58 ARG CA C 58 59.139 59.635 -0.496 1
1 680 . 16 1 1 A 58 58 ARG CB C 58 30.106 30.177 -0.071 1
1 683 . 16 1 1 A 58 58 ARG N N 58 115.005 120.894 -5.889 1
1 684 . 16 1 1 A 59 59 ASP H H 59 7.392 8.049 -0.657 1
1 685 . 16 1 1 A 59 59 ASP HA H 59 4.803 4.749 0.054 1
1 688 . 16 1 1 A 59 59 ASP C C 59 176.801 176.008 0.793 1
1 689 . 16 1 1 A 59 59 ASP CA C 59 52.827 54.203 -1.376 1
1 690 . 16 1 1 A 59 59 ASP CB C 59 42.144 42.168 -0.024 1
1 691 . 16 1 1 A 59 59 ASP N N 59 113.739 117.164 -3.425 1
1 692 . 16 1 1 A 60 60 GLY H H 60 8.435 8.201 0.234 1
1 693 . 16 1 1 A 60 60 GLY HA2 H 60 4.125 4.013 0.112 1
1 694 . 16 1 1 A 60 60 GLY HA3 H 60 3.868 4.025 -0.157 1
1 695 . 16 1 1 A 60 60 GLY C C 60 174.707 174.498 0.209 1
1 696 . 16 1 1 A 60 60 GLY CA C 60 45.917 45.018 0.899 1
1 697 . 16 1 1 A 60 60 GLY N N 60 110.642 106.281 4.361 1
1 698 . 16 1 1 A 61 61 GLU H H 61 7.527 7.986 -0.459 1
1 699 . 16 1 1 A 61 61 GLU HA H 61 4.163 4.330 -0.167 1
1 704 . 16 1 1 A 61 61 GLU C C 61 176.225 176.142 0.083 1
1 705 . 16 1 1 A 61 61 GLU CA C 61 58.222 57.461 0.761 1
1 706 . 16 1 1 A 61 61 GLU CB C 61 29.825 30.402 -0.577 1
1 708 . 16 1 1 A 61 61 GLU N N 61 123.061 121.821 1.240 1
1 709 . 16 1 1 A 62 62 THR H H 62 8.451 8.785 -0.334 1
1 710 . 16 1 1 A 62 62 THR HA H 62 5.666 5.022 0.644 1
1 715 . 16 1 1 A 62 62 THR C C 62 174.469 173.980 0.489 1
1 716 . 16 1 1 A 62 62 THR CA C 62 59.826 60.562 -0.736 1
1 717 . 16 1 1 A 62 62 THR CB C 62 72.751 69.649 3.102 1
1 719 . 16 1 1 A 62 62 THR N N 62 117.411 121.970 -4.559 1
1 720 . 16 1 1 A 63 63 GLY H H 63 7.931 8.265 -0.334 1
1 721 . 16 1 1 A 63 63 GLY HA2 H 63 4.124 4.492 -0.368 1
1 722 . 16 1 1 A 63 63 GLY HA3 H 63 3.936 4.604 -0.668 1
1 723 . 16 1 1 A 63 63 GLY C C 63 170.896 171.844 -0.948 1
1 724 . 16 1 1 A 63 63 GLY CA C 63 45.652 45.472 0.180 1
1 725 . 16 1 1 A 63 63 GLY N N 63 108.439 112.355 -3.916 1
1 726 . 16 1 1 A 64 64 TRP H H 64 9.071 9.386 -0.315 1
1 727 . 16 1 1 A 64 64 TRP HA H 64 6.061 5.600 0.461 1
1 736 . 16 1 1 A 64 64 TRP C C 64 177.395 176.758 0.637 1
1 737 . 16 1 1 A 64 64 TRP CA C 64 57.259 56.533 0.726 1
1 738 . 16 1 1 A 64 64 TRP CB C 64 31.882 31.020 0.862 1
1 744 . 16 1 1 A 64 64 TRP N N 64 119.762 120.391 -0.629 1
1 746 . 16 1 1 A 65 65 PHE H H 65 9.657 9.463 0.194 1
1 747 . 16 1 1 A 65 65 PHE HA H 65 4.823 5.563 -0.740 1
1 755 . 16 1 1 A 65 65 PHE C C 65 170.814 173.344 -2.530 1
1 756 . 16 1 1 A 65 65 PHE CA C 65 55.578 55.070 0.508 1
1 757 . 16 1 1 A 65 65 PHE CB C 65 38.245 42.116 -3.871 1
1 763 . 16 1 1 A 65 65 PHE N N 65 116.076 121.096 -5.020 1
1 764 . 16 1 1 A 66 66 PRO HA H 66 3.546 4.095 -0.549 1
1 771 . 16 1 1 A 66 66 PRO C C 66 177.963 177.492 0.471 1
1 772 . 16 1 1 A 66 66 PRO CA C 66 62.065 62.262 -0.197 1
1 773 . 16 1 1 A 66 66 PRO CB C 66 31.116 31.724 -0.608 1
1 776 . 16 1 1 A 67 67 GLU H H 67 8.081 8.438 -0.357 1
1 777 . 16 1 1 A 67 67 GLU HA H 67 3.651 4.045 -0.394 1
1 782 . 16 1 1 A 67 67 GLU C C 67 177.298 178.485 -1.187 1
1 783 . 16 1 1 A 67 67 GLU CA C 67 58.746 59.068 -0.322 1
1 784 . 16 1 1 A 67 67 GLU CB C 67 29.820 29.067 0.753 1
1 786 . 16 1 1 A 67 67 GLU N N 67 121.549 122.182 -0.633 1
1 787 . 16 1 1 A 68 68 ASP H H 68 8.456 8.052 0.404 1
1 788 . 16 1 1 A 68 68 ASP HA H 68 4.539 4.245 0.294 1
1 791 . 16 1 1 A 68 68 ASP C C 68 176.157 177.494 -1.337 1
1 792 . 16 1 1 A 68 68 ASP CA C 68 55.225 57.010 -1.785 1
1 793 . 16 1 1 A 68 68 ASP CB C 68 39.633 40.195 -0.562 1
1 794 . 16 1 1 A 68 68 ASP N N 68 113.915 120.292 -6.377 1
1 795 . 16 1 1 A 69 69 PHE H H 69 7.661 7.462 0.199 1
1 796 . 16 1 1 A 69 69 PHE HA H 69 4.386 4.649 -0.263 1
1 803 . 16 1 1 A 69 69 PHE C C 69 173.252 174.751 -1.499 1
1 804 . 16 1 1 A 69 69 PHE CA C 69 57.758 57.120 0.638 1
1 805 . 16 1 1 A 69 69 PHE CB C 69 37.019 38.386 -1.367 1
1 810 . 16 1 1 A 69 69 PHE N N 69 119.727 114.448 5.279 1
1 811 . 16 1 1 A 70 70 ALA H H 70 7.809 7.983 -0.174 1
1 812 . 16 1 1 A 70 70 ALA HA H 70 5.256 4.998 0.258 1
1 816 . 16 1 1 A 70 70 ALA C C 70 175.703 175.275 0.428 1
1 817 . 16 1 1 A 70 70 ALA CA C 70 50.800 51.332 -0.532 1
1 818 . 16 1 1 A 70 70 ALA CB C 70 24.061 22.966 1.095 1
1 819 . 16 1 1 A 70 70 ALA N N 70 121.782 120.552 1.230 1
1 820 . 16 1 1 A 71 71 ARG H H 71 8.792 8.468 0.324 1
1 821 . 16 1 1 A 71 71 ARG HA H 71 4.828 4.969 -0.141 1
1 828 . 16 1 1 A 71 71 ARG C C 71 175.613 175.568 0.045 1
1 829 . 16 1 1 A 71 71 ARG CA C 71 54.220 54.492 -0.272 1
1 830 . 16 1 1 A 71 71 ARG CB C 71 33.286 31.811 1.475 1
1 833 . 16 1 1 A 71 71 ARG N N 71 119.543 120.141 -0.598 1
1 834 . 16 1 1 A 72 72 PHE H H 72 9.194 8.912 0.282 1
1 835 . 16 1 1 A 72 72 PHE HA H 72 4.604 4.381 0.223 1
1 843 . 16 1 1 A 72 72 PHE C C 72 176.818 175.823 0.995 1
1 844 . 16 1 1 A 72 72 PHE CA C 72 59.896 59.138 0.758 1
1 845 . 16 1 1 A 72 72 PHE CB C 72 39.079 38.879 0.200 1
1 851 . 16 1 1 A 72 72 PHE N N 72 125.006 124.448 0.558 1
1 852 . 16 1 1 A 73 73 ILE H H 73 8.574 9.165 -0.591 1
1 853 . 16 1 1 A 73 73 ILE HA H 73 4.390 3.927 0.463 1
1 863 . 16 1 1 A 73 73 ILE C C 73 176.086 176.303 -0.217 1
1 864 . 16 1 1 A 73 73 ILE CA C 73 61.450 64.183 -2.733 1
1 865 . 16 1 1 A 73 73 ILE CB C 73 39.508 38.186 1.322 1
1 869 . 16 1 1 A 73 73 ILE N N 73 120.816 127.801 -6.985 1
1 870 . 16 1 1 A 74 74 SER H H 74 8.329 7.997 0.332 1
1 871 . 16 1 1 A 74 74 SER HA H 74 4.626 4.894 -0.268 1
1 874 . 16 1 1 A 74 74 SER C C 74 174.223 173.382 0.841 1
1 875 . 16 1 1 A 74 74 SER CA C 74 58.169 56.720 1.449 1
1 876 . 16 1 1 A 74 74 SER CB C 74 64.370 65.724 -1.354 1
1 877 . 16 1 1 A 74 74 SER N N 74 118.251 114.037 4.214 1
1 878 . 16 1 1 A 75 75 GLY H H 75 8.372 8.835 -0.463 1
1 879 . 16 1 1 A 75 75 GLY HA2 H 75 4.149 4.288 -0.139 1
1 880 . 16 1 1 A 75 75 GLY HA3 H 75 4.149 4.317 -0.168 1
1 881 . 16 1 1 A 75 75 GLY C C 75 171.907 173.015 -1.108 1
1 882 . 16 1 1 A 75 75 GLY CA C 75 44.682 45.005 -0.323 1
1 883 . 16 1 1 A 75 75 GLY N N 75 109.951 113.556 -3.605 1
1 884 . 16 1 1 A 76 76 PRO HA H 76 4.456 4.465 -0.009 1
1 891 . 16 1 1 A 76 76 PRO CA C 76 63.394 62.298 1.096 1
1 892 . 16 1 1 A 76 76 PRO CB C 76 32.180 29.509 2.671 1
1 1 . 17 1 1 A 6 6 SER HA H 6 4.486 4.708 -0.222 1
1 3 . 17 1 1 A 6 6 SER CA C 6 58.492 57.483 1.009 1
1 4 . 17 1 1 A 6 6 SER CB C 6 64.343 65.047 -0.704 1
1 5 . 17 1 1 A 7 7 GLY H H 7 8.044 8.402 -0.358 1
1 6 . 17 1 1 A 7 7 GLY HA2 H 7 4.458 3.949 0.509 1
1 7 . 17 1 1 A 7 7 GLY HA3 H 7 3.780 4.028 -0.248 1
1 8 . 17 1 1 A 7 7 GLY C C 7 174.131 174.307 -0.176 1
1 9 . 17 1 1 A 7 7 GLY CA C 7 45.458 47.032 -1.574 1
1 10 . 17 1 1 A 7 7 GLY N N 7 116.867 108.860 8.007 1
1 11 . 17 1 1 A 8 8 TRP H H 8 8.111 8.098 0.013 1
1 12 . 17 1 1 A 8 8 TRP HA H 8 4.626 5.079 -0.453 1
1 21 . 17 1 1 A 8 8 TRP C C 8 176.673 177.055 -0.382 1
1 22 . 17 1 1 A 8 8 TRP CA C 8 57.729 56.458 1.271 1
1 23 . 17 1 1 A 8 8 TRP CB C 8 29.413 32.791 -3.378 1
1 29 . 17 1 1 A 8 8 TRP N N 8 121.258 121.202 0.056 1
1 31 . 17 1 1 A 9 9 GLN H H 9 8.229 9.094 -0.865 1
1 32 . 17 1 1 A 9 9 GLN HA H 9 4.133 3.973 0.160 1
1 39 . 17 1 1 A 9 9 GLN C C 9 176.147 177.282 -1.135 1
1 40 . 17 1 1 A 9 9 GLN CA C 9 56.283 59.340 -3.057 1
1 41 . 17 1 1 A 9 9 GLN CB C 9 29.125 29.374 -0.249 1
1 43 . 17 1 1 A 9 9 GLN N N 9 122.756 122.413 0.343 1
1 45 . 17 1 1 A 10 10 GLY H H 10 7.500 7.984 -0.484 1
1 46 . 17 1 1 A 10 10 GLY HA2 H 10 3.744 4.105 -0.361 1
1 47 . 17 1 1 A 10 10 GLY HA3 H 10 3.714 4.111 -0.397 1
1 48 . 17 1 1 A 10 10 GLY C C 10 174.092 174.184 -0.092 1
1 49 . 17 1 1 A 10 10 GLY CA C 10 45.335 45.649 -0.314 1
1 50 . 17 1 1 A 10 10 GLY N N 10 108.221 107.471 0.750 1
1 51 . 17 1 1 A 11 11 LEU H H 11 8.029 7.936 0.093 1
1 52 . 17 1 1 A 11 11 LEU HA H 11 4.368 4.353 0.015 1
1 62 . 17 1 1 A 11 11 LEU C C 11 177.808 175.422 2.386 1
1 63 . 17 1 1 A 11 11 LEU CA C 11 55.348 57.030 -1.682 1
1 64 . 17 1 1 A 11 11 LEU CB C 11 42.515 41.153 1.362 1
1 68 . 17 1 1 A 11 11 LEU N N 11 121.136 120.778 0.358 1
1 69 . 17 1 1 A 12 12 SER H H 12 8.388 8.361 0.027 1
1 70 . 17 1 1 A 12 12 SER HA H 12 4.370 4.451 -0.081 1
1 73 . 17 1 1 A 12 12 SER CA C 12 58.716 58.502 0.214 1
1 74 . 17 1 1 A 12 12 SER CB C 12 63.835 63.373 0.462 1
1 75 . 17 1 1 A 12 12 SER N N 12 116.252 117.050 -0.798 1
1 76 . 17 1 1 A 13 13 SER HA H 13 4.481 4.254 0.227 1
1 79 . 17 1 1 A 13 13 SER C C 13 175.161 173.835 1.326 1
1 80 . 17 1 1 A 13 13 SER CA C 13 58.442 59.456 -1.014 1
1 81 . 17 1 1 A 13 13 SER CB C 13 63.798 61.950 1.848 1
1 82 . 17 1 1 A 14 14 LYS H H 14 8.372 8.808 -0.436 1
1 83 . 17 1 1 A 14 14 LYS HA H 14 4.226 3.919 0.307 1
1 92 . 17 1 1 A 14 14 LYS C C 14 177.249 176.621 0.628 1
1 93 . 17 1 1 A 14 14 LYS CA C 14 57.303 56.975 0.328 1
1 94 . 17 1 1 A 14 14 LYS CB C 14 32.694 30.725 1.969 1
1 98 . 17 1 1 A 14 14 LYS N N 14 123.245 121.171 2.074 1
1 99 . 17 1 1 A 15 15 GLY H H 15 8.213 8.351 -0.138 1
1 100 . 17 1 1 A 15 15 GLY HA2 H 15 3.924 4.084 -0.160 1
1 101 . 17 1 1 A 15 15 GLY HA3 H 15 3.924 4.091 -0.167 1
1 102 . 17 1 1 A 15 15 GLY C C 15 173.863 174.093 -0.230 1
1 103 . 17 1 1 A 15 15 GLY CA C 15 45.599 46.102 -0.503 1
1 104 . 17 1 1 A 15 15 GLY N N 15 107.368 111.080 -3.712 1
1 105 . 17 1 1 A 16 16 ASP H H 16 8.091 8.182 -0.091 1
1 106 . 17 1 1 A 16 16 ASP HA H 16 4.711 4.923 -0.212 1
1 109 . 17 1 1 A 16 16 ASP C C 16 176.074 174.647 1.427 1
1 110 . 17 1 1 A 16 16 ASP CA C 16 54.167 53.036 1.131 1
1 111 . 17 1 1 A 16 16 ASP CB C 16 41.155 41.682 -0.527 1
1 112 . 17 1 1 A 16 16 ASP N N 16 119.368 117.645 1.723 1
1 113 . 17 1 1 A 17 17 LEU H H 17 7.757 7.857 -0.100 1
1 114 . 17 1 1 A 17 17 LEU HA H 17 4.641 4.357 0.284 1
1 124 . 17 1 1 A 17 17 LEU C C 17 174.627 174.913 -0.286 1
1 125 . 17 1 1 A 17 17 LEU CA C 17 53.286 53.963 -0.677 1
1 126 . 17 1 1 A 17 17 LEU CB C 17 41.003 41.712 -0.709 1
1 130 . 17 1 1 A 17 17 LEU N N 17 122.770 122.645 0.125 1
1 131 . 17 1 1 A 18 18 PRO HA H 18 4.619 4.679 -0.060 1
1 138 . 17 1 1 A 18 18 PRO C C 18 175.014 175.200 -0.186 1
1 139 . 17 1 1 A 18 18 PRO CA C 18 62.756 62.359 0.397 1
1 140 . 17 1 1 A 18 18 PRO CB C 18 32.631 32.989 -0.358 1
1 143 . 17 1 1 A 19 19 GLN H H 19 8.295 8.398 -0.103 1
1 144 . 17 1 1 A 19 19 GLN HA H 19 5.396 4.805 0.591 1
1 151 . 17 1 1 A 19 19 GLN C C 19 176.012 174.546 1.466 1
1 152 . 17 1 1 A 19 19 GLN CA C 19 54.094 54.117 -0.023 1
1 153 . 17 1 1 A 19 19 GLN CB C 19 32.478 32.869 -0.391 1
1 155 . 17 1 1 A 19 19 GLN N N 19 117.612 119.021 -1.409 1
1 157 . 17 1 1 A 20 20 VAL H H 20 9.005 8.225 0.780 1
1 158 . 17 1 1 A 20 20 VAL HA H 20 5.133 4.760 0.373 1
1 166 . 17 1 1 A 20 20 VAL C C 20 173.875 173.893 -0.018 1
1 167 . 17 1 1 A 20 20 VAL CA C 20 57.486 59.635 -2.149 1
1 168 . 17 1 1 A 20 20 VAL CB C 20 35.076 34.904 0.172 1
1 171 . 17 1 1 A 20 20 VAL N N 20 112.092 117.888 -5.796 1
1 172 . 17 1 1 A 21 21 GLU H H 21 8.901 8.312 0.589 1
1 173 . 17 1 1 A 21 21 GLU HA H 21 5.199 4.875 0.324 1
1 178 . 17 1 1 A 21 21 GLU C C 21 175.780 175.818 -0.038 1
1 179 . 17 1 1 A 21 21 GLU CA C 21 53.268 55.244 -1.976 1
1 180 . 17 1 1 A 21 21 GLU CB C 21 32.997 31.286 1.711 1
1 182 . 17 1 1 A 21 21 GLU N N 21 119.970 124.357 -4.387 1
1 183 . 17 1 1 A 22 22 ILE H H 22 8.656 9.755 -1.099 1
1 184 . 17 1 1 A 22 22 ILE HA H 22 4.742 4.295 0.447 1
1 194 . 17 1 1 A 22 22 ILE C C 22 179.107 177.502 1.605 1
1 195 . 17 1 1 A 22 22 ILE CA C 22 58.064 62.223 -4.159 1
1 196 . 17 1 1 A 22 22 ILE CB C 22 34.481 37.639 -3.158 1
1 200 . 17 1 1 A 22 22 ILE N N 22 125.654 127.981 -2.327 1
1 201 . 17 1 1 A 23 23 THR H H 23 9.206 8.982 0.224 1
1 202 . 17 1 1 A 23 23 THR HA H 23 4.230 4.398 -0.168 1
1 207 . 17 1 1 A 23 23 THR C C 23 174.481 174.584 -0.103 1
1 208 . 17 1 1 A 23 23 THR CA C 23 62.787 63.077 -0.290 1
1 209 . 17 1 1 A 23 23 THR CB C 23 68.779 69.326 -0.547 1
1 211 . 17 1 1 A 23 23 THR N N 23 122.259 119.419 2.840 1
1 212 . 17 1 1 A 24 24 LYS H H 24 7.443 7.569 -0.126 1
1 213 . 17 1 1 A 24 24 LYS HA H 24 4.332 5.010 -0.678 1
1 222 . 17 1 1 A 24 24 LYS C C 24 172.169 175.806 -3.637 1
1 223 . 17 1 1 A 24 24 LYS CA C 24 55.154 54.629 0.525 1
1 224 . 17 1 1 A 24 24 LYS CB C 24 35.137 35.612 -0.475 1
1 228 . 17 1 1 A 24 24 LYS N N 24 121.874 118.794 3.080 1
1 229 . 17 1 1 A 25 25 ALA H H 25 8.259 8.661 -0.402 1
1 230 . 17 1 1 A 25 25 ALA HA H 25 3.914 4.341 -0.427 1
1 234 . 17 1 1 A 25 25 ALA C C 25 176.411 176.771 -0.360 1
1 235 . 17 1 1 A 25 25 ALA CA C 25 53.409 52.918 0.491 1
1 236 . 17 1 1 A 25 25 ALA CB C 25 19.113 19.032 0.081 1
1 237 . 17 1 1 A 25 25 ALA N N 25 121.708 124.554 -2.846 1
1 238 . 17 1 1 A 26 26 PHE H H 26 8.058 8.783 -0.725 1
1 239 . 17 1 1 A 26 26 PHE HA H 26 4.742 5.166 -0.424 1
1 247 . 17 1 1 A 26 26 PHE C C 26 172.769 173.577 -0.808 1
1 248 . 17 1 1 A 26 26 PHE CA C 26 56.354 56.859 -0.505 1
1 249 . 17 1 1 A 26 26 PHE CB C 26 42.608 41.835 0.773 1
1 255 . 17 1 1 A 26 26 PHE N N 26 121.151 125.224 -4.073 1
1 256 . 17 1 1 A 27 27 PHE H H 27 7.752 9.047 -1.295 1
1 257 . 17 1 1 A 27 27 PHE HA H 27 4.469 4.829 -0.360 1
1 265 . 17 1 1 A 27 27 PHE C C 27 173.594 174.450 -0.856 1
1 266 . 17 1 1 A 27 27 PHE CA C 27 56.088 56.570 -0.482 1
1 267 . 17 1 1 A 27 27 PHE CB C 27 39.425 39.716 -0.291 1
1 273 . 17 1 1 A 27 27 PHE N N 27 125.818 125.640 0.178 1
1 274 . 17 1 1 A 28 28 ALA H H 28 8.045 8.412 -0.367 1
1 275 . 17 1 1 A 28 28 ALA HA H 28 4.002 4.237 -0.235 1
1 279 . 17 1 1 A 28 28 ALA C C 28 178.303 178.458 -0.155 1
1 280 . 17 1 1 A 28 28 ALA CA C 28 52.898 52.181 0.717 1
1 281 . 17 1 1 A 28 28 ALA CB C 28 20.853 18.744 2.109 1
1 282 . 17 1 1 A 28 28 ALA N N 28 126.105 127.074 -0.969 1
1 283 . 17 1 1 A 29 29 LYS H H 29 9.282 8.359 0.923 1
1 284 . 17 1 1 A 29 29 LYS HA H 29 4.524 4.428 0.096 1
1 293 . 17 1 1 A 29 29 LYS C C 29 176.347 176.730 -0.383 1
1 294 . 17 1 1 A 29 29 LYS CA C 29 56.187 57.169 -0.982 1
1 295 . 17 1 1 A 29 29 LYS CB C 29 34.585 34.024 0.561 1
1 299 . 17 1 1 A 29 29 LYS N N 29 120.760 119.649 1.111 1
1 300 . 17 1 1 A 30 30 GLN H H 30 7.738 7.720 0.018 1
1 301 . 17 1 1 A 30 30 GLN HA H 30 4.657 4.544 0.113 1
1 308 . 17 1 1 A 30 30 GLN C C 30 177.059 176.353 0.706 1
1 309 . 17 1 1 A 30 30 GLN CA C 30 53.885 54.791 -0.906 1
1 310 . 17 1 1 A 30 30 GLN CB C 30 31.349 29.693 1.656 1
1 312 . 17 1 1 A 30 30 GLN N N 30 116.957 119.531 -2.574 1
1 314 . 17 1 1 A 31 31 ALA H H 31 8.719 8.905 -0.186 1
1 315 . 17 1 1 A 31 31 ALA HA H 31 4.189 4.187 0.002 1
1 319 . 17 1 1 A 31 31 ALA C C 31 177.686 177.970 -0.284 1
1 320 . 17 1 1 A 31 31 ALA CA C 31 54.960 54.038 0.922 1
1 321 . 17 1 1 A 31 31 ALA CB C 31 18.859 18.824 0.035 1
1 322 . 17 1 1 A 31 31 ALA N N 31 122.985 124.463 -1.478 1
1 323 . 17 1 1 A 32 32 ASP H H 32 8.436 8.315 0.121 1
1 324 . 17 1 1 A 32 32 ASP HA H 32 4.904 4.799 0.105 1
1 327 . 17 1 1 A 32 32 ASP C C 32 176.845 176.508 0.337 1
1 328 . 17 1 1 A 32 32 ASP CA C 32 54.044 54.748 -0.704 1
1 329 . 17 1 1 A 32 32 ASP CB C 32 40.166 41.825 -1.659 1
1 330 . 17 1 1 A 32 32 ASP N N 32 113.224 116.398 -3.174 1
1 331 . 17 1 1 A 33 33 GLU H H 33 7.632 8.107 -0.475 1
1 332 . 17 1 1 A 33 33 GLU HA H 33 5.578 4.888 0.690 1
1 337 . 17 1 1 A 33 33 GLU C C 33 175.518 175.314 0.204 1
1 338 . 17 1 1 A 33 33 GLU CA C 33 55.437 56.483 -1.046 1
1 339 . 17 1 1 A 33 33 GLU CB C 33 33.079 31.426 1.653 1
1 341 . 17 1 1 A 33 33 GLU N N 33 119.902 120.299 -0.397 1
1 342 . 17 1 1 A 34 34 VAL H H 34 8.311 8.872 -0.561 1
1 343 . 17 1 1 A 34 34 VAL HA H 34 4.791 4.873 -0.082 1
1 351 . 17 1 1 A 34 34 VAL C C 34 171.861 174.260 -2.399 1
1 352 . 17 1 1 A 34 34 VAL CA C 34 58.152 60.309 -2.157 1
1 353 . 17 1 1 A 34 34 VAL CB C 34 35.881 35.426 0.455 1
1 356 . 17 1 1 A 34 34 VAL N N 34 119.872 120.968 -1.096 1
1 357 . 17 1 1 A 35 35 THR H H 35 8.047 8.674 -0.627 1
1 358 . 17 1 1 A 35 35 THR HA H 35 4.559 4.724 -0.165 1
1 363 . 17 1 1 A 35 35 THR C C 35 174.643 173.959 0.684 1
1 364 . 17 1 1 A 35 35 THR CA C 35 62.859 62.806 0.053 1
1 365 . 17 1 1 A 35 35 THR CB C 35 69.626 68.924 0.702 1
1 367 . 17 1 1 A 35 35 THR N N 35 123.767 124.187 -0.420 1
1 368 . 17 1 1 A 36 36 LEU H H 36 9.001 8.764 0.237 1
1 369 . 17 1 1 A 36 36 LEU HA H 36 4.571 4.976 -0.405 1
1 379 . 17 1 1 A 36 36 LEU C C 36 176.087 175.630 0.457 1
1 380 . 17 1 1 A 36 36 LEU CA C 36 53.374 53.313 0.061 1
1 381 . 17 1 1 A 36 36 LEU CB C 36 47.954 45.459 2.495 1
1 385 . 17 1 1 A 36 36 LEU N N 36 127.439 127.009 0.430 1
1 386 . 17 1 1 A 37 37 GLN H H 37 8.889 8.587 0.302 1
1 387 . 17 1 1 A 37 37 GLN HA H 37 4.298 4.862 -0.564 1
1 394 . 17 1 1 A 37 37 GLN C C 37 175.508 175.081 0.427 1
1 395 . 17 1 1 A 37 37 GLN CA C 37 53.621 53.719 -0.098 1
1 396 . 17 1 1 A 37 37 GLN CB C 37 30.567 32.498 -1.931 1
1 398 . 17 1 1 A 37 37 GLN N N 37 121.687 118.930 2.757 1
1 400 . 17 1 1 A 38 38 GLN H H 38 8.517 8.569 -0.052 1
1 401 . 17 1 1 A 38 38 GLN HA H 38 3.378 3.912 -0.534 1
1 408 . 17 1 1 A 38 38 GLN C C 38 176.738 176.491 0.247 1
1 409 . 17 1 1 A 38 38 GLN CA C 38 58.584 57.285 1.299 1
1 410 . 17 1 1 A 38 38 GLN CB C 38 28.151 28.454 -0.303 1
1 412 . 17 1 1 A 38 38 GLN N N 38 120.664 122.451 -1.787 1
1 414 . 17 1 1 A 39 39 ALA H H 39 9.200 9.722 -0.522 1
1 415 . 17 1 1 A 39 39 ALA HA H 39 3.948 3.870 0.078 1
1 419 . 17 1 1 A 39 39 ALA C C 39 177.251 175.624 1.627 1
1 420 . 17 1 1 A 39 39 ALA CA C 39 54.731 53.189 1.542 1
1 421 . 17 1 1 A 39 39 ALA CB C 39 17.134 17.451 -0.317 1
1 422 . 17 1 1 A 39 39 ALA N N 39 123.253 123.584 -0.331 1
1 423 . 17 1 1 A 40 40 ASP H H 40 8.025 7.262 0.763 1
1 424 . 17 1 1 A 40 40 ASP HA H 40 4.498 5.109 -0.611 1
1 427 . 17 1 1 A 40 40 ASP C C 40 175.010 175.220 -0.210 1
1 428 . 17 1 1 A 40 40 ASP CA C 40 56.407 52.972 3.435 1
1 429 . 17 1 1 A 40 40 ASP CB C 40 41.713 43.250 -1.537 1
1 430 . 17 1 1 A 40 40 ASP N N 40 121.075 116.325 4.750 1
1 431 . 17 1 1 A 41 41 VAL H H 41 7.518 8.811 -1.293 1
1 432 . 17 1 1 A 41 41 VAL HA H 41 5.060 4.570 0.490 1
1 440 . 17 1 1 A 41 41 VAL C C 41 176.546 175.097 1.449 1
1 441 . 17 1 1 A 41 41 VAL CA C 41 61.818 61.678 0.140 1
1 442 . 17 1 1 A 41 41 VAL CB C 41 32.997 32.825 0.172 1
1 445 . 17 1 1 A 41 41 VAL N N 41 119.767 123.837 -4.070 1
1 446 . 17 1 1 A 42 42 VAL H H 42 9.086 8.418 0.668 1
1 447 . 17 1 1 A 42 42 VAL HA H 42 4.528 4.509 0.019 1
1 455 . 17 1 1 A 42 42 VAL C C 42 173.762 174.645 -0.883 1
1 456 . 17 1 1 A 42 42 VAL CA C 42 60.363 60.397 -0.034 1
1 457 . 17 1 1 A 42 42 VAL CB C 42 35.736 35.767 -0.031 1
1 460 . 17 1 1 A 42 42 VAL N N 42 129.212 127.562 1.650 1
1 461 . 17 1 1 A 43 43 LEU H H 43 8.855 8.792 0.063 1
1 462 . 17 1 1 A 43 43 LEU HA H 43 4.651 4.735 -0.084 1
1 472 . 17 1 1 A 43 43 LEU C C 43 175.853 175.732 0.121 1
1 473 . 17 1 1 A 43 43 LEU CA C 43 54.132 54.134 -0.002 1
1 474 . 17 1 1 A 43 43 LEU CB C 43 44.039 43.053 0.986 1
1 478 . 17 1 1 A 43 43 LEU N N 43 128.624 129.898 -1.274 1
1 479 . 17 1 1 A 44 44 VAL H H 44 8.835 8.703 0.132 1
1 480 . 17 1 1 A 44 44 VAL HA H 44 3.837 4.480 -0.643 1
1 488 . 17 1 1 A 44 44 VAL C C 44 174.445 175.743 -1.298 1
1 489 . 17 1 1 A 44 44 VAL CA C 44 64.603 63.390 1.213 1
1 490 . 17 1 1 A 44 44 VAL CB C 44 32.325 32.365 -0.040 1
1 493 . 17 1 1 A 44 44 VAL N N 44 126.525 128.073 -1.548 1
1 494 . 17 1 1 A 45 45 LEU H H 45 9.166 9.721 -0.555 1
1 495 . 17 1 1 A 45 45 LEU HA H 45 4.488 4.590 -0.102 1
1 505 . 17 1 1 A 45 45 LEU C C 45 177.820 176.558 1.262 1
1 506 . 17 1 1 A 45 45 LEU CA C 45 56.137 55.601 0.536 1
1 507 . 17 1 1 A 45 45 LEU CB C 45 43.957 43.760 0.197 1
1 511 . 17 1 1 A 45 45 LEU N N 45 127.543 125.764 1.779 1
1 512 . 17 1 1 A 46 46 GLN H H 46 8.074 7.426 0.648 1
1 513 . 17 1 1 A 46 46 GLN HA H 46 4.643 4.802 -0.159 1
1 520 . 17 1 1 A 46 46 GLN C C 46 173.225 174.512 -1.287 1
1 521 . 17 1 1 A 46 46 GLN CA C 46 55.277 54.420 0.857 1
1 522 . 17 1 1 A 46 46 GLN CB C 46 33.285 31.620 1.665 1
1 524 . 17 1 1 A 46 46 GLN N N 46 115.961 117.104 -1.143 1
1 526 . 17 1 1 A 47 47 GLN H H 47 8.683 8.962 -0.279 1
1 527 . 17 1 1 A 47 47 GLN HA H 47 5.194 4.875 0.319 1
1 534 . 17 1 1 A 47 47 GLN C C 47 174.366 174.547 -0.181 1
1 535 . 17 1 1 A 47 47 GLN CA C 47 55.243 55.139 0.104 1
1 536 . 17 1 1 A 47 47 GLN CB C 47 31.473 29.603 1.870 1
1 538 . 17 1 1 A 47 47 GLN N N 47 121.742 124.035 -2.293 1
1 540 . 17 1 1 A 48 48 GLU H H 48 9.201 9.081 0.120 1
1 541 . 17 1 1 A 48 48 GLU HA H 48 4.669 5.029 -0.360 1
1 546 . 17 1 1 A 48 48 GLU C C 48 175.622 175.382 0.240 1
1 547 . 17 1 1 A 48 48 GLU CA C 48 56.134 54.788 1.346 1
1 548 . 17 1 1 A 48 48 GLU CB C 48 33.098 32.497 0.601 1
1 550 . 17 1 1 A 48 48 GLU N N 48 124.529 125.318 -0.789 1
1 551 . 17 1 1 A 49 49 ASP H H 49 9.177 8.801 0.376 1
1 552 . 17 1 1 A 49 49 ASP HA H 49 4.424 4.317 0.107 1
1 555 . 17 1 1 A 49 49 ASP C C 49 175.771 176.990 -1.219 1
1 556 . 17 1 1 A 49 49 ASP CA C 49 56.001 56.023 -0.022 1
1 557 . 17 1 1 A 49 49 ASP CB C 49 40.478 40.558 -0.080 1
1 558 . 17 1 1 A 49 49 ASP N N 49 125.649 127.766 -2.117 1
1 559 . 17 1 1 A 50 50 GLY H H 50 8.750 8.795 -0.045 1
1 560 . 17 1 1 A 50 50 GLY HA2 H 50 4.266 4.021 0.245 1
1 561 . 17 1 1 A 50 50 GLY HA3 H 50 3.753 4.119 -0.366 1
1 562 . 17 1 1 A 50 50 GLY C C 50 174.455 173.814 0.641 1
1 563 . 17 1 1 A 50 50 GLY CA C 50 45.969 45.411 0.558 1
1 564 . 17 1 1 A 50 50 GLY N N 50 108.057 113.250 -5.193 1
1 565 . 17 1 1 A 51 51 TRP H H 51 8.427 8.434 -0.007 1
1 566 . 17 1 1 A 51 51 TRP HA H 51 4.877 5.345 -0.468 1
1 575 . 17 1 1 A 51 51 TRP C C 51 173.525 175.689 -2.164 1
1 576 . 17 1 1 A 51 51 TRP CA C 51 57.270 55.589 1.681 1
1 577 . 17 1 1 A 51 51 TRP CB C 51 32.690 33.902 -1.212 1
1 583 . 17 1 1 A 51 51 TRP N N 51 122.784 121.106 1.678 1
1 585 . 17 1 1 A 52 52 LEU H H 52 9.368 9.219 0.149 1
1 586 . 17 1 1 A 52 52 LEU HA H 52 4.987 4.847 0.140 1
1 596 . 17 1 1 A 52 52 LEU C C 52 173.005 174.634 -1.629 1
1 597 . 17 1 1 A 52 52 LEU CA C 52 52.634 53.089 -0.455 1
1 598 . 17 1 1 A 52 52 LEU CB C 52 43.833 42.702 1.131 1
1 602 . 17 1 1 A 52 52 LEU N N 52 121.750 123.225 -1.475 1
1 603 . 17 1 1 A 53 53 TYR H H 53 8.267 9.213 -0.946 1
1 604 . 17 1 1 A 53 53 TYR HA H 53 4.513 4.488 0.025 1
1 611 . 17 1 1 A 53 53 TYR C C 53 176.111 174.963 1.148 1
1 612 . 17 1 1 A 53 53 TYR CA C 53 55.283 58.383 -3.100 1
1 613 . 17 1 1 A 53 53 TYR CB C 53 39.251 38.569 0.682 1
1 618 . 17 1 1 A 53 53 TYR N N 53 122.457 126.741 -4.284 1
1 619 . 17 1 1 A 54 54 GLY H H 54 8.238 7.881 0.357 1
1 620 . 17 1 1 A 54 54 GLY HA2 H 54 4.706 4.051 0.655 1
1 621 . 17 1 1 A 54 54 GLY HA3 H 54 3.802 4.334 -0.532 1
1 622 . 17 1 1 A 54 54 GLY C C 54 168.928 171.387 -2.459 1
1 623 . 17 1 1 A 54 54 GLY CA C 54 45.792 45.523 0.269 1
1 624 . 17 1 1 A 54 54 GLY N N 54 112.598 112.080 0.518 1
1 625 . 17 1 1 A 55 55 GLU H H 55 8.400 9.205 -0.805 1
1 626 . 17 1 1 A 55 55 GLU HA H 55 4.718 5.016 -0.298 1
1 631 . 17 1 1 A 55 55 GLU C C 55 175.540 175.584 -0.044 1
1 632 . 17 1 1 A 55 55 GLU CA C 55 53.268 54.657 -1.389 1
1 633 . 17 1 1 A 55 55 GLU CB C 55 34.264 32.367 1.897 1
1 635 . 17 1 1 A 55 55 GLU N N 55 118.345 120.738 -2.393 1
1 636 . 17 1 1 A 56 56 ARG H H 56 9.654 8.602 1.052 1
1 637 . 17 1 1 A 56 56 ARG HA H 56 4.309 4.346 -0.037 1
1 645 . 17 1 1 A 56 56 ARG C C 56 176.838 176.750 0.088 1
1 646 . 17 1 1 A 56 56 ARG CA C 56 57.492 56.635 0.857 1
1 647 . 17 1 1 A 56 56 ARG CB C 56 30.854 30.764 0.090 1
1 650 . 17 1 1 A 56 56 ARG N N 56 129.571 128.582 0.989 1
1 652 . 17 1 1 A 57 57 LEU H H 57 8.195 8.135 0.060 1
1 653 . 17 1 1 A 57 57 LEU HA H 57 4.021 4.344 -0.323 1
1 663 . 17 1 1 A 57 57 LEU C C 57 179.671 178.469 1.202 1
1 664 . 17 1 1 A 57 57 LEU CA C 57 58.338 57.718 0.620 1
1 665 . 17 1 1 A 57 57 LEU CB C 57 41.939 41.093 0.846 1
1 669 . 17 1 1 A 57 57 LEU N N 57 129.973 127.009 2.964 1
1 670 . 17 1 1 A 58 58 ARG H H 58 8.494 8.104 0.390 1
1 671 . 17 1 1 A 58 58 ARG HA H 58 4.112 3.960 0.152 1
1 678 . 17 1 1 A 58 58 ARG C C 58 176.402 178.095 -1.693 1
1 679 . 17 1 1 A 58 58 ARG CA C 58 59.139 59.715 -0.576 1
1 680 . 17 1 1 A 58 58 ARG CB C 58 30.106 30.162 -0.056 1
1 683 . 17 1 1 A 58 58 ARG N N 58 115.005 120.812 -5.807 1
1 684 . 17 1 1 A 59 59 ASP H H 59 7.392 8.029 -0.637 1
1 685 . 17 1 1 A 59 59 ASP HA H 59 4.803 4.746 0.057 1
1 688 . 17 1 1 A 59 59 ASP C C 59 176.801 176.503 0.298 1
1 689 . 17 1 1 A 59 59 ASP CA C 59 52.827 54.123 -1.296 1
1 690 . 17 1 1 A 59 59 ASP CB C 59 42.144 42.073 0.071 1
1 691 . 17 1 1 A 59 59 ASP N N 59 113.739 117.370 -3.631 1
1 692 . 17 1 1 A 60 60 GLY H H 60 8.435 8.949 -0.514 1
1 693 . 17 1 1 A 60 60 GLY HA2 H 60 4.125 3.928 0.197 1
1 694 . 17 1 1 A 60 60 GLY HA3 H 60 3.868 3.939 -0.071 1
1 695 . 17 1 1 A 60 60 GLY C C 60 174.707 174.401 0.306 1
1 696 . 17 1 1 A 60 60 GLY CA C 60 45.917 45.514 0.403 1
1 697 . 17 1 1 A 60 60 GLY N N 60 110.642 107.756 2.886 1
1 698 . 17 1 1 A 61 61 GLU H H 61 7.527 7.925 -0.398 1
1 699 . 17 1 1 A 61 61 GLU HA H 61 4.163 4.606 -0.443 1
1 704 . 17 1 1 A 61 61 GLU C C 61 176.225 175.447 0.778 1
1 705 . 17 1 1 A 61 61 GLU CA C 61 58.222 55.587 2.635 1
1 706 . 17 1 1 A 61 61 GLU CB C 61 29.825 31.023 -1.198 1
1 708 . 17 1 1 A 61 61 GLU N N 61 123.061 121.227 1.834 1
1 709 . 17 1 1 A 62 62 THR H H 62 8.451 8.730 -0.279 1
1 710 . 17 1 1 A 62 62 THR HA H 62 5.666 4.953 0.713 1
1 715 . 17 1 1 A 62 62 THR C C 62 174.469 173.752 0.717 1
1 716 . 17 1 1 A 62 62 THR CA C 62 59.826 60.854 -1.028 1
1 717 . 17 1 1 A 62 62 THR CB C 62 72.751 69.240 3.511 1
1 719 . 17 1 1 A 62 62 THR N N 62 117.411 123.429 -6.018 1
1 720 . 17 1 1 A 63 63 GLY H H 63 7.931 8.338 -0.407 1
1 721 . 17 1 1 A 63 63 GLY HA2 H 63 4.124 4.424 -0.300 1
1 722 . 17 1 1 A 63 63 GLY HA3 H 63 3.936 4.508 -0.572 1
1 723 . 17 1 1 A 63 63 GLY C C 63 170.896 171.793 -0.897 1
1 724 . 17 1 1 A 63 63 GLY CA C 63 45.652 45.403 0.249 1
1 725 . 17 1 1 A 63 63 GLY N N 63 108.439 112.029 -3.590 1
1 726 . 17 1 1 A 64 64 TRP H H 64 9.071 9.241 -0.170 1
1 727 . 17 1 1 A 64 64 TRP HA H 64 6.061 5.661 0.400 1
1 736 . 17 1 1 A 64 64 TRP C C 64 177.395 176.590 0.805 1
1 737 . 17 1 1 A 64 64 TRP CA C 64 57.259 56.455 0.804 1
1 738 . 17 1 1 A 64 64 TRP CB C 64 31.882 30.727 1.155 1
1 744 . 17 1 1 A 64 64 TRP N N 64 119.762 120.353 -0.591 1
1 746 . 17 1 1 A 65 65 PHE H H 65 9.657 8.984 0.673 1
1 747 . 17 1 1 A 65 65 PHE HA H 65 4.823 5.788 -0.965 1
1 755 . 17 1 1 A 65 65 PHE C C 65 170.814 173.464 -2.650 1
1 756 . 17 1 1 A 65 65 PHE CA C 65 55.578 54.935 0.643 1
1 757 . 17 1 1 A 65 65 PHE CB C 65 38.245 42.263 -4.018 1
1 763 . 17 1 1 A 65 65 PHE N N 65 116.076 120.731 -4.655 1
1 764 . 17 1 1 A 66 66 PRO HA H 66 3.546 4.300 -0.754 1
1 771 . 17 1 1 A 66 66 PRO C C 66 177.963 177.870 0.093 1
1 772 . 17 1 1 A 66 66 PRO CA C 66 62.065 62.375 -0.310 1
1 773 . 17 1 1 A 66 66 PRO CB C 66 31.116 32.012 -0.896 1
1 776 . 17 1 1 A 67 67 GLU H H 67 8.081 8.600 -0.519 1
1 777 . 17 1 1 A 67 67 GLU HA H 67 3.651 4.141 -0.490 1
1 782 . 17 1 1 A 67 67 GLU C C 67 177.298 178.645 -1.347 1
1 783 . 17 1 1 A 67 67 GLU CA C 67 58.746 59.395 -0.649 1
1 784 . 17 1 1 A 67 67 GLU CB C 67 29.820 29.057 0.763 1
1 786 . 17 1 1 A 67 67 GLU N N 67 121.549 122.597 -1.048 1
1 787 . 17 1 1 A 68 68 ASP H H 68 8.456 8.127 0.329 1
1 788 . 17 1 1 A 68 68 ASP HA H 68 4.539 4.298 0.241 1
1 791 . 17 1 1 A 68 68 ASP C C 68 176.157 177.399 -1.242 1
1 792 . 17 1 1 A 68 68 ASP CA C 68 55.225 57.129 -1.904 1
1 793 . 17 1 1 A 68 68 ASP CB C 68 39.633 40.642 -1.009 1
1 794 . 17 1 1 A 68 68 ASP N N 68 113.915 121.161 -7.246 1
1 795 . 17 1 1 A 69 69 PHE H H 69 7.661 7.678 -0.017 1
1 796 . 17 1 1 A 69 69 PHE HA H 69 4.386 4.627 -0.241 1
1 803 . 17 1 1 A 69 69 PHE C C 69 173.252 174.522 -1.270 1
1 804 . 17 1 1 A 69 69 PHE CA C 69 57.758 57.157 0.601 1
1 805 . 17 1 1 A 69 69 PHE CB C 69 37.019 38.076 -1.057 1
1 810 . 17 1 1 A 69 69 PHE N N 69 119.727 115.714 4.013 1
1 811 . 17 1 1 A 70 70 ALA H H 70 7.809 8.006 -0.197 1
1 812 . 17 1 1 A 70 70 ALA HA H 70 5.256 4.775 0.481 1
1 816 . 17 1 1 A 70 70 ALA C C 70 175.703 175.006 0.697 1
1 817 . 17 1 1 A 70 70 ALA CA C 70 50.800 51.514 -0.714 1
1 818 . 17 1 1 A 70 70 ALA CB C 70 24.061 22.752 1.309 1
1 819 . 17 1 1 A 70 70 ALA N N 70 121.782 120.462 1.320 1
1 820 . 17 1 1 A 71 71 ARG H H 71 8.792 8.112 0.680 1
1 821 . 17 1 1 A 71 71 ARG HA H 71 4.828 5.017 -0.189 1
1 828 . 17 1 1 A 71 71 ARG C C 71 175.613 175.621 -0.008 1
1 829 . 17 1 1 A 71 71 ARG CA C 71 54.220 54.451 -0.231 1
1 830 . 17 1 1 A 71 71 ARG CB C 71 33.286 32.246 1.040 1
1 833 . 17 1 1 A 71 71 ARG N N 71 119.543 119.061 0.482 1
1 834 . 17 1 1 A 72 72 PHE H H 72 9.194 8.908 0.286 1
1 835 . 17 1 1 A 72 72 PHE HA H 72 4.604 4.406 0.198 1
1 843 . 17 1 1 A 72 72 PHE C C 72 176.818 175.983 0.835 1
1 844 . 17 1 1 A 72 72 PHE CA C 72 59.896 59.153 0.743 1
1 845 . 17 1 1 A 72 72 PHE CB C 72 39.079 38.930 0.149 1
1 851 . 17 1 1 A 72 72 PHE N N 72 125.006 123.977 1.029 1
1 852 . 17 1 1 A 73 73 ILE H H 73 8.574 8.606 -0.032 1
1 853 . 17 1 1 A 73 73 ILE HA H 73 4.390 3.933 0.457 1
1 863 . 17 1 1 A 73 73 ILE C C 73 176.086 176.939 -0.853 1
1 864 . 17 1 1 A 73 73 ILE CA C 73 61.450 64.090 -2.640 1
1 865 . 17 1 1 A 73 73 ILE CB C 73 39.508 38.173 1.335 1
1 869 . 17 1 1 A 73 73 ILE N N 73 120.816 127.524 -6.708 1
1 870 . 17 1 1 A 74 74 SER H H 74 8.329 7.834 0.495 1
1 871 . 17 1 1 A 74 74 SER HA H 74 4.626 5.032 -0.406 1
1 874 . 17 1 1 A 74 74 SER C C 74 174.223 173.134 1.089 1
1 875 . 17 1 1 A 74 74 SER CA C 74 58.169 57.712 0.457 1
1 876 . 17 1 1 A 74 74 SER CB C 74 64.370 65.987 -1.617 1
1 877 . 17 1 1 A 74 74 SER N N 74 118.251 114.435 3.816 1
1 878 . 17 1 1 A 75 75 GLY H H 75 8.372 8.307 0.065 1
1 879 . 17 1 1 A 75 75 GLY HA2 H 75 4.149 4.237 -0.088 1
1 880 . 17 1 1 A 75 75 GLY HA3 H 75 4.149 4.243 -0.094 1
1 881 . 17 1 1 A 75 75 GLY C C 75 171.907 171.801 0.106 1
1 882 . 17 1 1 A 75 75 GLY CA C 75 44.682 45.813 -1.131 1
1 883 . 17 1 1 A 75 75 GLY N N 75 109.951 111.282 -1.331 1
1 884 . 17 1 1 A 76 76 PRO HA H 76 4.456 4.852 -0.396 1
1 891 . 17 1 1 A 76 76 PRO CA C 76 63.394 62.501 0.893 1
1 892 . 17 1 1 A 76 76 PRO CB C 76 32.180 32.303 -0.123 1
1 1 . 18 1 1 A 6 6 SER HA H 6 4.486 5.117 -0.631 1
1 3 . 18 1 1 A 6 6 SER CA C 6 58.492 57.594 0.898 1
1 4 . 18 1 1 A 6 6 SER CB C 6 64.343 65.852 -1.509 1
1 5 . 18 1 1 A 7 7 GLY H H 7 8.044 8.685 -0.641 1
1 6 . 18 1 1 A 7 7 GLY HA2 H 7 4.458 4.157 0.301 1
1 7 . 18 1 1 A 7 7 GLY HA3 H 7 3.780 4.240 -0.460 1
1 8 . 18 1 1 A 7 7 GLY C C 7 174.131 172.213 1.918 1
1 9 . 18 1 1 A 7 7 GLY CA C 7 45.458 45.856 -0.398 1
1 10 . 18 1 1 A 7 7 GLY N N 7 116.867 110.802 6.065 1
1 11 . 18 1 1 A 8 8 TRP H H 8 8.111 8.997 -0.886 1
1 12 . 18 1 1 A 8 8 TRP HA H 8 4.626 5.120 -0.494 1
1 21 . 18 1 1 A 8 8 TRP C C 8 176.673 175.680 0.993 1
1 22 . 18 1 1 A 8 8 TRP CA C 8 57.729 55.694 2.035 1
1 23 . 18 1 1 A 8 8 TRP CB C 8 29.413 32.605 -3.192 1
1 29 . 18 1 1 A 8 8 TRP N N 8 121.258 127.244 -5.986 1
1 31 . 18 1 1 A 9 9 GLN H H 9 8.229 8.619 -0.390 1
1 32 . 18 1 1 A 9 9 GLN HA H 9 4.133 3.875 0.258 1
1 39 . 18 1 1 A 9 9 GLN C C 9 176.147 176.743 -0.596 1
1 40 . 18 1 1 A 9 9 GLN CA C 9 56.283 57.972 -1.689 1
1 41 . 18 1 1 A 9 9 GLN CB C 9 29.125 28.817 0.308 1
1 43 . 18 1 1 A 9 9 GLN N N 9 122.756 123.819 -1.063 1
1 45 . 18 1 1 A 10 10 GLY H H 10 7.500 8.631 -1.131 1
1 46 . 18 1 1 A 10 10 GLY HA2 H 10 3.744 3.992 -0.248 1
1 47 . 18 1 1 A 10 10 GLY HA3 H 10 3.714 4.008 -0.294 1
1 48 . 18 1 1 A 10 10 GLY C C 10 174.092 174.699 -0.607 1
1 49 . 18 1 1 A 10 10 GLY CA C 10 45.335 46.007 -0.672 1
1 50 . 18 1 1 A 10 10 GLY N N 10 108.221 110.529 -2.308 1
1 51 . 18 1 1 A 11 11 LEU H H 11 8.029 8.903 -0.874 1
1 52 . 18 1 1 A 11 11 LEU HA H 11 4.368 3.964 0.404 1
1 62 . 18 1 1 A 11 11 LEU C C 11 177.808 176.342 1.466 1
1 63 . 18 1 1 A 11 11 LEU CA C 11 55.348 55.816 -0.468 1
1 64 . 18 1 1 A 11 11 LEU CB C 11 42.515 40.384 2.131 1
1 68 . 18 1 1 A 11 11 LEU N N 11 121.136 122.544 -1.408 1
1 69 . 18 1 1 A 12 12 SER H H 12 8.388 8.275 0.113 1
1 70 . 18 1 1 A 12 12 SER HA H 12 4.370 4.705 -0.335 1
1 73 . 18 1 1 A 12 12 SER CA C 12 58.716 59.443 -0.727 1
1 74 . 18 1 1 A 12 12 SER CB C 12 63.835 65.522 -1.687 1
1 75 . 18 1 1 A 12 12 SER N N 12 116.252 112.606 3.646 1
1 76 . 18 1 1 A 13 13 SER HA H 13 4.481 4.157 0.324 1
1 79 . 18 1 1 A 13 13 SER C C 13 175.161 173.390 1.771 1
1 80 . 18 1 1 A 13 13 SER CA C 13 58.442 59.093 -0.651 1
1 81 . 18 1 1 A 13 13 SER CB C 13 63.798 61.684 2.114 1
1 82 . 18 1 1 A 14 14 LYS H H 14 8.372 8.173 0.199 1
1 83 . 18 1 1 A 14 14 LYS HA H 14 4.226 5.024 -0.798 1
1 92 . 18 1 1 A 14 14 LYS C C 14 177.249 175.417 1.832 1
1 93 . 18 1 1 A 14 14 LYS CA C 14 57.303 54.545 2.758 1
1 94 . 18 1 1 A 14 14 LYS CB C 14 32.694 35.559 -2.865 1
1 98 . 18 1 1 A 14 14 LYS N N 14 123.245 121.858 1.387 1
1 99 . 18 1 1 A 15 15 GLY H H 15 8.213 8.275 -0.062 1
1 100 . 18 1 1 A 15 15 GLY HA2 H 15 3.924 4.160 -0.236 1
1 101 . 18 1 1 A 15 15 GLY HA3 H 15 3.924 4.162 -0.238 1
1 102 . 18 1 1 A 15 15 GLY C C 15 173.863 172.871 0.992 1
1 103 . 18 1 1 A 15 15 GLY CA C 15 45.599 46.084 -0.485 1
1 104 . 18 1 1 A 15 15 GLY N N 15 107.368 107.275 0.093 1
1 105 . 18 1 1 A 16 16 ASP H H 16 8.091 8.214 -0.123 1
1 106 . 18 1 1 A 16 16 ASP HA H 16 4.711 4.840 -0.129 1
1 109 . 18 1 1 A 16 16 ASP C C 16 176.074 175.614 0.460 1
1 110 . 18 1 1 A 16 16 ASP CA C 16 54.167 53.471 0.696 1
1 111 . 18 1 1 A 16 16 ASP CB C 16 41.155 41.424 -0.269 1
1 112 . 18 1 1 A 16 16 ASP N N 16 119.368 124.593 -5.225 1
1 113 . 18 1 1 A 17 17 LEU H H 17 7.757 7.335 0.422 1
1 114 . 18 1 1 A 17 17 LEU HA H 17 4.641 4.392 0.249 1
1 124 . 18 1 1 A 17 17 LEU C C 17 174.627 174.677 -0.050 1
1 125 . 18 1 1 A 17 17 LEU CA C 17 53.286 53.886 -0.600 1
1 126 . 18 1 1 A 17 17 LEU CB C 17 41.003 41.478 -0.475 1
1 130 . 18 1 1 A 17 17 LEU N N 17 122.770 122.375 0.395 1
1 131 . 18 1 1 A 18 18 PRO HA H 18 4.619 4.840 -0.221 1
1 138 . 18 1 1 A 18 18 PRO C C 18 175.014 176.240 -1.226 1
1 139 . 18 1 1 A 18 18 PRO CA C 18 62.756 62.642 0.114 1
1 140 . 18 1 1 A 18 18 PRO CB C 18 32.631 32.842 -0.211 1
1 143 . 18 1 1 A 19 19 GLN H H 19 8.295 8.456 -0.161 1
1 144 . 18 1 1 A 19 19 GLN HA H 19 5.396 5.025 0.371 1
1 151 . 18 1 1 A 19 19 GLN C C 19 176.012 174.884 1.128 1
1 152 . 18 1 1 A 19 19 GLN CA C 19 54.094 54.136 -0.042 1
1 153 . 18 1 1 A 19 19 GLN CB C 19 32.478 32.279 0.199 1
1 155 . 18 1 1 A 19 19 GLN N N 19 117.612 120.151 -2.539 1
1 157 . 18 1 1 A 20 20 VAL H H 20 9.005 8.472 0.533 1
1 158 . 18 1 1 A 20 20 VAL HA H 20 5.133 4.752 0.381 1
1 166 . 18 1 1 A 20 20 VAL C C 20 173.875 173.831 0.044 1
1 167 . 18 1 1 A 20 20 VAL CA C 20 57.486 59.265 -1.779 1
1 168 . 18 1 1 A 20 20 VAL CB C 20 35.076 34.735 0.341 1
1 171 . 18 1 1 A 20 20 VAL N N 20 112.092 117.901 -5.809 1
1 172 . 18 1 1 A 21 21 GLU H H 21 8.901 8.354 0.547 1
1 173 . 18 1 1 A 21 21 GLU HA H 21 5.199 4.819 0.380 1
1 178 . 18 1 1 A 21 21 GLU C C 21 175.780 175.750 0.030 1
1 179 . 18 1 1 A 21 21 GLU CA C 21 53.268 55.250 -1.982 1
1 180 . 18 1 1 A 21 21 GLU CB C 21 32.997 31.388 1.609 1
1 182 . 18 1 1 A 21 21 GLU N N 21 119.970 123.704 -3.734 1
1 183 . 18 1 1 A 22 22 ILE H H 22 8.656 9.993 -1.337 1
1 184 . 18 1 1 A 22 22 ILE HA H 22 4.742 4.309 0.433 1
1 194 . 18 1 1 A 22 22 ILE C C 22 179.107 177.923 1.184 1
1 195 . 18 1 1 A 22 22 ILE CA C 22 58.064 62.008 -3.944 1
1 196 . 18 1 1 A 22 22 ILE CB C 22 34.481 37.167 -2.686 1
1 200 . 18 1 1 A 22 22 ILE N N 22 125.654 127.934 -2.280 1
1 201 . 18 1 1 A 23 23 THR H H 23 9.206 8.738 0.468 1
1 202 . 18 1 1 A 23 23 THR HA H 23 4.230 4.244 -0.014 1
1 207 . 18 1 1 A 23 23 THR C C 23 174.481 174.519 -0.038 1
1 208 . 18 1 1 A 23 23 THR CA C 23 62.787 63.608 -0.821 1
1 209 . 18 1 1 A 23 23 THR CB C 23 68.779 69.116 -0.337 1
1 211 . 18 1 1 A 23 23 THR N N 23 122.259 119.692 2.567 1
1 212 . 18 1 1 A 24 24 LYS H H 24 7.443 7.653 -0.210 1
1 213 . 18 1 1 A 24 24 LYS HA H 24 4.332 4.807 -0.475 1
1 222 . 18 1 1 A 24 24 LYS C C 24 172.169 175.183 -3.014 1
1 223 . 18 1 1 A 24 24 LYS CA C 24 55.154 54.878 0.276 1
1 224 . 18 1 1 A 24 24 LYS CB C 24 35.137 35.531 -0.394 1
1 228 . 18 1 1 A 24 24 LYS N N 24 121.874 117.977 3.897 1
1 229 . 18 1 1 A 25 25 ALA H H 25 8.259 8.655 -0.396 1
1 230 . 18 1 1 A 25 25 ALA HA H 25 3.914 4.702 -0.788 1
1 234 . 18 1 1 A 25 25 ALA C C 25 176.411 176.861 -0.450 1
1 235 . 18 1 1 A 25 25 ALA CA C 25 53.409 52.798 0.611 1
1 236 . 18 1 1 A 25 25 ALA CB C 25 19.113 19.026 0.087 1
1 237 . 18 1 1 A 25 25 ALA N N 25 121.708 124.474 -2.766 1
1 238 . 18 1 1 A 26 26 PHE H H 26 8.058 8.521 -0.463 1
1 239 . 18 1 1 A 26 26 PHE HA H 26 4.742 4.947 -0.205 1
1 247 . 18 1 1 A 26 26 PHE C C 26 172.769 174.509 -1.740 1
1 248 . 18 1 1 A 26 26 PHE CA C 26 56.354 56.547 -0.193 1
1 249 . 18 1 1 A 26 26 PHE CB C 26 42.608 39.968 2.640 1
1 255 . 18 1 1 A 26 26 PHE N N 26 121.151 121.599 -0.448 1
1 256 . 18 1 1 A 27 27 PHE H H 27 7.752 8.711 -0.959 1
1 257 . 18 1 1 A 27 27 PHE HA H 27 4.469 4.316 0.153 1
1 265 . 18 1 1 A 27 27 PHE C C 27 173.594 175.669 -2.075 1
1 266 . 18 1 1 A 27 27 PHE CA C 27 56.088 58.431 -2.343 1
1 267 . 18 1 1 A 27 27 PHE CB C 27 39.425 38.767 0.658 1
1 273 . 18 1 1 A 27 27 PHE N N 27 125.818 125.888 -0.070 1
1 274 . 18 1 1 A 28 28 ALA H H 28 8.045 7.769 0.276 1
1 275 . 18 1 1 A 28 28 ALA HA H 28 4.002 3.689 0.313 1
1 279 . 18 1 1 A 28 28 ALA C C 28 178.303 177.137 1.166 1
1 280 . 18 1 1 A 28 28 ALA CA C 28 52.898 52.985 -0.087 1
1 281 . 18 1 1 A 28 28 ALA CB C 28 20.853 19.255 1.598 1
1 282 . 18 1 1 A 28 28 ALA N N 28 126.105 127.833 -1.728 1
1 283 . 18 1 1 A 29 29 LYS H H 29 9.282 9.615 -0.333 1
1 284 . 18 1 1 A 29 29 LYS HA H 29 4.524 4.622 -0.098 1
1 293 . 18 1 1 A 29 29 LYS C C 29 176.347 176.314 0.033 1
1 294 . 18 1 1 A 29 29 LYS CA C 29 56.187 56.569 -0.382 1
1 295 . 18 1 1 A 29 29 LYS CB C 29 34.585 34.792 -0.207 1
1 299 . 18 1 1 A 29 29 LYS N N 29 120.760 121.505 -0.745 1
1 300 . 18 1 1 A 30 30 GLN H H 30 7.738 7.628 0.110 1
1 301 . 18 1 1 A 30 30 GLN HA H 30 4.657 4.661 -0.004 1
1 308 . 18 1 1 A 30 30 GLN C C 30 177.059 176.509 0.550 1
1 309 . 18 1 1 A 30 30 GLN CA C 30 53.885 54.391 -0.506 1
1 310 . 18 1 1 A 30 30 GLN CB C 30 31.349 31.421 -0.072 1
1 312 . 18 1 1 A 30 30 GLN N N 30 116.957 117.064 -0.107 1
1 314 . 18 1 1 A 31 31 ALA H H 31 8.719 8.498 0.221 1
1 315 . 18 1 1 A 31 31 ALA HA H 31 4.189 4.198 -0.009 1
1 319 . 18 1 1 A 31 31 ALA C C 31 177.686 178.071 -0.385 1
1 320 . 18 1 1 A 31 31 ALA CA C 31 54.960 53.497 1.463 1
1 321 . 18 1 1 A 31 31 ALA CB C 31 18.859 18.904 -0.045 1
1 322 . 18 1 1 A 31 31 ALA N N 31 122.985 123.134 -0.149 1
1 323 . 18 1 1 A 32 32 ASP H H 32 8.436 8.084 0.352 1
1 324 . 18 1 1 A 32 32 ASP HA H 32 4.904 4.779 0.125 1
1 327 . 18 1 1 A 32 32 ASP C C 32 176.845 176.965 -0.120 1
1 328 . 18 1 1 A 32 32 ASP CA C 32 54.044 54.498 -0.454 1
1 329 . 18 1 1 A 32 32 ASP CB C 32 40.166 41.456 -1.290 1
1 330 . 18 1 1 A 32 32 ASP N N 32 113.224 117.165 -3.941 1
1 331 . 18 1 1 A 33 33 GLU H H 33 7.632 7.986 -0.354 1
1 332 . 18 1 1 A 33 33 GLU HA H 33 5.578 4.977 0.601 1
1 337 . 18 1 1 A 33 33 GLU C C 33 175.518 175.433 0.085 1
1 338 . 18 1 1 A 33 33 GLU CA C 33 55.437 56.063 -0.626 1
1 339 . 18 1 1 A 33 33 GLU CB C 33 33.079 30.746 2.333 1
1 341 . 18 1 1 A 33 33 GLU N N 33 119.902 118.540 1.362 1
1 342 . 18 1 1 A 34 34 VAL H H 34 8.311 9.181 -0.870 1
1 343 . 18 1 1 A 34 34 VAL HA H 34 4.791 5.044 -0.253 1
1 351 . 18 1 1 A 34 34 VAL C C 34 171.861 174.128 -2.267 1
1 352 . 18 1 1 A 34 34 VAL CA C 34 58.152 59.676 -1.524 1
1 353 . 18 1 1 A 34 34 VAL CB C 34 35.881 35.222 0.659 1
1 356 . 18 1 1 A 34 34 VAL N N 34 119.872 120.928 -1.056 1
1 357 . 18 1 1 A 35 35 THR H H 35 8.047 8.735 -0.688 1
1 358 . 18 1 1 A 35 35 THR HA H 35 4.559 4.798 -0.239 1
1 363 . 18 1 1 A 35 35 THR C C 35 174.643 173.946 0.697 1
1 364 . 18 1 1 A 35 35 THR CA C 35 62.859 62.504 0.355 1
1 365 . 18 1 1 A 35 35 THR CB C 35 69.626 69.338 0.288 1
1 367 . 18 1 1 A 35 35 THR N N 35 123.767 122.173 1.594 1
1 368 . 18 1 1 A 36 36 LEU H H 36 9.001 8.706 0.295 1
1 369 . 18 1 1 A 36 36 LEU HA H 36 4.571 5.018 -0.447 1
1 379 . 18 1 1 A 36 36 LEU C C 36 176.087 175.567 0.520 1
1 380 . 18 1 1 A 36 36 LEU CA C 36 53.374 53.686 -0.312 1
1 381 . 18 1 1 A 36 36 LEU CB C 36 47.954 46.520 1.434 1
1 385 . 18 1 1 A 36 36 LEU N N 36 127.439 126.405 1.034 1
1 386 . 18 1 1 A 37 37 GLN H H 37 8.889 8.791 0.098 1
1 387 . 18 1 1 A 37 37 GLN HA H 37 4.298 4.764 -0.466 1
1 394 . 18 1 1 A 37 37 GLN C C 37 175.508 174.868 0.640 1
1 395 . 18 1 1 A 37 37 GLN CA C 37 53.621 53.745 -0.124 1
1 396 . 18 1 1 A 37 37 GLN CB C 37 30.567 32.345 -1.778 1
1 398 . 18 1 1 A 37 37 GLN N N 37 121.687 119.938 1.749 1
1 400 . 18 1 1 A 38 38 GLN H H 38 8.517 8.516 0.001 1
1 401 . 18 1 1 A 38 38 GLN HA H 38 3.378 3.984 -0.606 1
1 408 . 18 1 1 A 38 38 GLN C C 38 176.738 176.386 0.352 1
1 409 . 18 1 1 A 38 38 GLN CA C 38 58.584 56.974 1.610 1
1 410 . 18 1 1 A 38 38 GLN CB C 38 28.151 28.608 -0.457 1
1 412 . 18 1 1 A 38 38 GLN N N 38 120.664 121.679 -1.015 1
1 414 . 18 1 1 A 39 39 ALA H H 39 9.200 9.719 -0.519 1
1 415 . 18 1 1 A 39 39 ALA HA H 39 3.948 3.868 0.080 1
1 419 . 18 1 1 A 39 39 ALA C C 39 177.251 175.780 1.471 1
1 420 . 18 1 1 A 39 39 ALA CA C 39 54.731 53.169 1.562 1
1 421 . 18 1 1 A 39 39 ALA CB C 39 17.134 17.372 -0.238 1
1 422 . 18 1 1 A 39 39 ALA N N 39 123.253 123.744 -0.491 1
1 423 . 18 1 1 A 40 40 ASP H H 40 8.025 7.318 0.707 1
1 424 . 18 1 1 A 40 40 ASP HA H 40 4.498 5.064 -0.566 1
1 427 . 18 1 1 A 40 40 ASP C C 40 175.010 175.110 -0.100 1
1 428 . 18 1 1 A 40 40 ASP CA C 40 56.407 53.253 3.154 1
1 429 . 18 1 1 A 40 40 ASP CB C 40 41.713 43.336 -1.623 1
1 430 . 18 1 1 A 40 40 ASP N N 40 121.075 116.951 4.124 1
1 431 . 18 1 1 A 41 41 VAL H H 41 7.518 8.875 -1.357 1
1 432 . 18 1 1 A 41 41 VAL HA H 41 5.060 4.627 0.433 1
1 440 . 18 1 1 A 41 41 VAL C C 41 176.546 175.332 1.214 1
1 441 . 18 1 1 A 41 41 VAL CA C 41 61.818 61.894 -0.076 1
1 442 . 18 1 1 A 41 41 VAL CB C 41 32.997 32.212 0.785 1
1 445 . 18 1 1 A 41 41 VAL N N 41 119.767 124.456 -4.689 1
1 446 . 18 1 1 A 42 42 VAL H H 42 9.086 8.906 0.180 1
1 447 . 18 1 1 A 42 42 VAL HA H 42 4.528 4.619 -0.091 1
1 455 . 18 1 1 A 42 42 VAL C C 42 173.762 174.545 -0.783 1
1 456 . 18 1 1 A 42 42 VAL CA C 42 60.363 60.471 -0.108 1
1 457 . 18 1 1 A 42 42 VAL CB C 42 35.736 34.615 1.121 1
1 460 . 18 1 1 A 42 42 VAL N N 42 129.212 127.726 1.486 1
1 461 . 18 1 1 A 43 43 LEU H H 43 8.855 8.348 0.507 1
1 462 . 18 1 1 A 43 43 LEU HA H 43 4.651 4.721 -0.070 1
1 472 . 18 1 1 A 43 43 LEU C C 43 175.853 175.598 0.255 1
1 473 . 18 1 1 A 43 43 LEU CA C 43 54.132 54.202 -0.070 1
1 474 . 18 1 1 A 43 43 LEU CB C 43 44.039 43.119 0.920 1
1 478 . 18 1 1 A 43 43 LEU N N 43 128.624 129.517 -0.893 1
1 479 . 18 1 1 A 44 44 VAL H H 44 8.835 9.060 -0.225 1
1 480 . 18 1 1 A 44 44 VAL HA H 44 3.837 4.343 -0.506 1
1 488 . 18 1 1 A 44 44 VAL C C 44 174.445 175.709 -1.264 1
1 489 . 18 1 1 A 44 44 VAL CA C 44 64.603 63.685 0.918 1
1 490 . 18 1 1 A 44 44 VAL CB C 44 32.325 32.179 0.146 1
1 493 . 18 1 1 A 44 44 VAL N N 44 126.525 127.937 -1.412 1
1 494 . 18 1 1 A 45 45 LEU H H 45 9.166 10.075 -0.909 1
1 495 . 18 1 1 A 45 45 LEU HA H 45 4.488 4.526 -0.038 1
1 505 . 18 1 1 A 45 45 LEU C C 45 177.820 176.528 1.292 1
1 506 . 18 1 1 A 45 45 LEU CA C 45 56.137 55.639 0.498 1
1 507 . 18 1 1 A 45 45 LEU CB C 45 43.957 43.527 0.430 1
1 511 . 18 1 1 A 45 45 LEU N N 45 127.543 126.815 0.728 1
1 512 . 18 1 1 A 46 46 GLN H H 46 8.074 7.578 0.496 1
1 513 . 18 1 1 A 46 46 GLN HA H 46 4.643 4.784 -0.141 1
1 520 . 18 1 1 A 46 46 GLN C C 46 173.225 174.525 -1.300 1
1 521 . 18 1 1 A 46 46 GLN CA C 46 55.277 54.673 0.604 1
1 522 . 18 1 1 A 46 46 GLN CB C 46 33.285 31.662 1.623 1
1 524 . 18 1 1 A 46 46 GLN N N 46 115.961 116.801 -0.840 1
1 526 . 18 1 1 A 47 47 GLN H H 47 8.683 8.948 -0.265 1
1 527 . 18 1 1 A 47 47 GLN HA H 47 5.194 4.850 0.344 1
1 534 . 18 1 1 A 47 47 GLN C C 47 174.366 174.407 -0.041 1
1 535 . 18 1 1 A 47 47 GLN CA C 47 55.243 55.125 0.118 1
1 536 . 18 1 1 A 47 47 GLN CB C 47 31.473 29.516 1.957 1
1 538 . 18 1 1 A 47 47 GLN N N 47 121.742 124.217 -2.475 1
1 540 . 18 1 1 A 48 48 GLU H H 48 9.201 9.245 -0.044 1
1 541 . 18 1 1 A 48 48 GLU HA H 48 4.669 4.996 -0.327 1
1 546 . 18 1 1 A 48 48 GLU C C 48 175.622 175.499 0.123 1
1 547 . 18 1 1 A 48 48 GLU CA C 48 56.134 54.750 1.384 1
1 548 . 18 1 1 A 48 48 GLU CB C 48 33.098 32.403 0.695 1
1 550 . 18 1 1 A 48 48 GLU N N 48 124.529 125.445 -0.916 1
1 551 . 18 1 1 A 49 49 ASP H H 49 9.177 8.811 0.366 1
1 552 . 18 1 1 A 49 49 ASP HA H 49 4.424 4.319 0.105 1
1 555 . 18 1 1 A 49 49 ASP C C 49 175.771 176.994 -1.223 1
1 556 . 18 1 1 A 49 49 ASP CA C 49 56.001 56.024 -0.023 1
1 557 . 18 1 1 A 49 49 ASP CB C 49 40.478 40.556 -0.078 1
1 558 . 18 1 1 A 49 49 ASP N N 49 125.649 127.950 -2.301 1
1 559 . 18 1 1 A 50 50 GLY H H 50 8.750 8.789 -0.039 1
1 560 . 18 1 1 A 50 50 GLY HA2 H 50 4.266 4.025 0.241 1
1 561 . 18 1 1 A 50 50 GLY HA3 H 50 3.753 4.134 -0.381 1
1 562 . 18 1 1 A 50 50 GLY C C 50 174.455 173.645 0.810 1
1 563 . 18 1 1 A 50 50 GLY CA C 50 45.969 45.417 0.552 1
1 564 . 18 1 1 A 50 50 GLY N N 50 108.057 113.244 -5.187 1
1 565 . 18 1 1 A 51 51 TRP H H 51 8.427 8.817 -0.390 1
1 566 . 18 1 1 A 51 51 TRP HA H 51 4.877 5.326 -0.449 1
1 575 . 18 1 1 A 51 51 TRP C C 51 173.525 175.604 -2.079 1
1 576 . 18 1 1 A 51 51 TRP CA C 51 57.270 55.639 1.631 1
1 577 . 18 1 1 A 51 51 TRP CB C 51 32.690 33.980 -1.290 1
1 583 . 18 1 1 A 51 51 TRP N N 51 122.784 120.936 1.848 1
1 585 . 18 1 1 A 52 52 LEU H H 52 9.368 9.050 0.318 1
1 586 . 18 1 1 A 52 52 LEU HA H 52 4.987 4.906 0.081 1
1 596 . 18 1 1 A 52 52 LEU C C 52 173.005 174.403 -1.398 1
1 597 . 18 1 1 A 52 52 LEU CA C 52 52.634 53.035 -0.401 1
1 598 . 18 1 1 A 52 52 LEU CB C 52 43.833 43.001 0.832 1
1 602 . 18 1 1 A 52 52 LEU N N 52 121.750 122.776 -1.026 1
1 603 . 18 1 1 A 53 53 TYR H H 53 8.267 9.465 -1.198 1
1 604 . 18 1 1 A 53 53 TYR HA H 53 4.513 4.442 0.071 1
1 611 . 18 1 1 A 53 53 TYR C C 53 176.111 175.054 1.057 1
1 612 . 18 1 1 A 53 53 TYR CA C 53 55.283 57.874 -2.591 1
1 613 . 18 1 1 A 53 53 TYR CB C 53 39.251 38.598 0.653 1
1 618 . 18 1 1 A 53 53 TYR N N 53 122.457 126.719 -4.262 1
1 619 . 18 1 1 A 54 54 GLY H H 54 8.238 7.861 0.377 1
1 620 . 18 1 1 A 54 54 GLY HA2 H 54 4.706 4.069 0.637 1
1 621 . 18 1 1 A 54 54 GLY HA3 H 54 3.802 4.347 -0.545 1
1 622 . 18 1 1 A 54 54 GLY C C 54 168.928 171.645 -2.717 1
1 623 . 18 1 1 A 54 54 GLY CA C 54 45.792 45.481 0.311 1
1 624 . 18 1 1 A 54 54 GLY N N 54 112.598 111.932 0.666 1
1 625 . 18 1 1 A 55 55 GLU H H 55 8.400 9.467 -1.067 1
1 626 . 18 1 1 A 55 55 GLU HA H 55 4.718 4.882 -0.164 1
1 631 . 18 1 1 A 55 55 GLU C C 55 175.540 175.447 0.093 1
1 632 . 18 1 1 A 55 55 GLU CA C 55 53.268 54.752 -1.484 1
1 633 . 18 1 1 A 55 55 GLU CB C 55 34.264 32.617 1.647 1
1 635 . 18 1 1 A 55 55 GLU N N 55 118.345 120.543 -2.198 1
1 636 . 18 1 1 A 56 56 ARG H H 56 9.654 9.096 0.558 1
1 637 . 18 1 1 A 56 56 ARG HA H 56 4.309 4.070 0.239 1
1 645 . 18 1 1 A 56 56 ARG C C 56 176.838 176.531 0.307 1
1 646 . 18 1 1 A 56 56 ARG CA C 56 57.492 56.830 0.662 1
1 647 . 18 1 1 A 56 56 ARG CB C 56 30.854 31.036 -0.182 1
1 650 . 18 1 1 A 56 56 ARG N N 56 129.571 128.747 0.824 1
1 652 . 18 1 1 A 57 57 LEU H H 57 8.195 8.093 0.102 1
1 653 . 18 1 1 A 57 57 LEU HA H 57 4.021 4.306 -0.285 1
1 663 . 18 1 1 A 57 57 LEU C C 57 179.671 177.905 1.766 1
1 664 . 18 1 1 A 57 57 LEU CA C 57 58.338 54.926 3.412 1
1 665 . 18 1 1 A 57 57 LEU CB C 57 41.939 42.438 -0.499 1
1 669 . 18 1 1 A 57 57 LEU N N 57 129.973 126.598 3.375 1
1 670 . 18 1 1 A 58 58 ARG H H 58 8.494 7.901 0.593 1
1 671 . 18 1 1 A 58 58 ARG HA H 58 4.112 3.996 0.116 1
1 678 . 18 1 1 A 58 58 ARG C C 58 176.402 178.001 -1.599 1
1 679 . 18 1 1 A 58 58 ARG CA C 58 59.139 59.635 -0.496 1
1 680 . 18 1 1 A 58 58 ARG CB C 58 30.106 30.215 -0.109 1
1 683 . 18 1 1 A 58 58 ARG N N 58 115.005 121.315 -6.310 1
1 684 . 18 1 1 A 59 59 ASP H H 59 7.392 8.027 -0.635 1
1 685 . 18 1 1 A 59 59 ASP HA H 59 4.803 4.737 0.066 1
1 688 . 18 1 1 A 59 59 ASP C C 59 176.801 176.068 0.733 1
1 689 . 18 1 1 A 59 59 ASP CA C 59 52.827 54.319 -1.492 1
1 690 . 18 1 1 A 59 59 ASP CB C 59 42.144 42.551 -0.407 1
1 691 . 18 1 1 A 59 59 ASP N N 59 113.739 117.320 -3.581 1
1 692 . 18 1 1 A 60 60 GLY H H 60 8.435 7.840 0.595 1
1 693 . 18 1 1 A 60 60 GLY HA2 H 60 4.125 4.025 0.100 1
1 694 . 18 1 1 A 60 60 GLY HA3 H 60 3.868 4.036 -0.168 1
1 695 . 18 1 1 A 60 60 GLY C C 60 174.707 174.519 0.188 1
1 696 . 18 1 1 A 60 60 GLY CA C 60 45.917 45.016 0.901 1
1 697 . 18 1 1 A 60 60 GLY N N 60 110.642 106.460 4.182 1
1 698 . 18 1 1 A 61 61 GLU H H 61 7.527 7.954 -0.427 1
1 699 . 18 1 1 A 61 61 GLU HA H 61 4.163 4.291 -0.128 1
1 704 . 18 1 1 A 61 61 GLU C C 61 176.225 175.569 0.656 1
1 705 . 18 1 1 A 61 61 GLU CA C 61 58.222 57.562 0.660 1
1 706 . 18 1 1 A 61 61 GLU CB C 61 29.825 30.405 -0.580 1
1 708 . 18 1 1 A 61 61 GLU N N 61 123.061 121.350 1.711 1
1 709 . 18 1 1 A 62 62 THR H H 62 8.451 8.769 -0.318 1
1 710 . 18 1 1 A 62 62 THR HA H 62 5.666 4.915 0.751 1
1 715 . 18 1 1 A 62 62 THR C C 62 174.469 174.083 0.386 1
1 716 . 18 1 1 A 62 62 THR CA C 62 59.826 60.480 -0.654 1
1 717 . 18 1 1 A 62 62 THR CB C 62 72.751 69.877 2.874 1
1 719 . 18 1 1 A 62 62 THR N N 62 117.411 119.213 -1.802 1
1 720 . 18 1 1 A 63 63 GLY H H 63 7.931 8.234 -0.303 1
1 721 . 18 1 1 A 63 63 GLY HA2 H 63 4.124 4.484 -0.360 1
1 722 . 18 1 1 A 63 63 GLY HA3 H 63 3.936 4.568 -0.632 1
1 723 . 18 1 1 A 63 63 GLY C C 63 170.896 172.071 -1.175 1
1 724 . 18 1 1 A 63 63 GLY CA C 63 45.652 45.497 0.155 1
1 725 . 18 1 1 A 63 63 GLY N N 63 108.439 112.415 -3.976 1
1 726 . 18 1 1 A 64 64 TRP H H 64 9.071 9.634 -0.563 1
1 727 . 18 1 1 A 64 64 TRP HA H 64 6.061 5.649 0.412 1
1 736 . 18 1 1 A 64 64 TRP C C 64 177.395 176.340 1.055 1
1 737 . 18 1 1 A 64 64 TRP CA C 64 57.259 56.814 0.445 1
1 738 . 18 1 1 A 64 64 TRP CB C 64 31.882 30.972 0.910 1
1 744 . 18 1 1 A 64 64 TRP N N 64 119.762 120.678 -0.916 1
1 746 . 18 1 1 A 65 65 PHE H H 65 9.657 9.176 0.481 1
1 747 . 18 1 1 A 65 65 PHE HA H 65 4.823 5.096 -0.273 1
1 755 . 18 1 1 A 65 65 PHE C C 65 170.814 172.935 -2.121 1
1 756 . 18 1 1 A 65 65 PHE CA C 65 55.578 54.870 0.708 1
1 757 . 18 1 1 A 65 65 PHE CB C 65 38.245 42.037 -3.792 1
1 763 . 18 1 1 A 65 65 PHE N N 65 116.076 119.569 -3.493 1
1 764 . 18 1 1 A 66 66 PRO HA H 66 3.546 4.319 -0.773 1
1 771 . 18 1 1 A 66 66 PRO C C 66 177.963 177.778 0.185 1
1 772 . 18 1 1 A 66 66 PRO CA C 66 62.065 62.220 -0.155 1
1 773 . 18 1 1 A 66 66 PRO CB C 66 31.116 32.041 -0.925 1
1 776 . 18 1 1 A 67 67 GLU H H 67 8.081 8.590 -0.509 1
1 777 . 18 1 1 A 67 67 GLU HA H 67 3.651 4.087 -0.436 1
1 782 . 18 1 1 A 67 67 GLU C C 67 177.298 178.842 -1.544 1
1 783 . 18 1 1 A 67 67 GLU CA C 67 58.746 59.220 -0.474 1
1 784 . 18 1 1 A 67 67 GLU CB C 67 29.820 29.051 0.769 1
1 786 . 18 1 1 A 67 67 GLU N N 67 121.549 122.138 -0.589 1
1 787 . 18 1 1 A 68 68 ASP H H 68 8.456 8.141 0.315 1
1 788 . 18 1 1 A 68 68 ASP HA H 68 4.539 4.398 0.141 1
1 791 . 18 1 1 A 68 68 ASP C C 68 176.157 177.457 -1.300 1
1 792 . 18 1 1 A 68 68 ASP CA C 68 55.225 56.481 -1.256 1
1 793 . 18 1 1 A 68 68 ASP CB C 68 39.633 40.634 -1.001 1
1 794 . 18 1 1 A 68 68 ASP N N 68 113.915 120.903 -6.988 1
1 795 . 18 1 1 A 69 69 PHE H H 69 7.661 7.636 0.025 1
1 796 . 18 1 1 A 69 69 PHE HA H 69 4.386 4.682 -0.296 1
1 803 . 18 1 1 A 69 69 PHE C C 69 173.252 174.667 -1.415 1
1 804 . 18 1 1 A 69 69 PHE CA C 69 57.758 57.166 0.592 1
1 805 . 18 1 1 A 69 69 PHE CB C 69 37.019 38.859 -1.840 1
1 810 . 18 1 1 A 69 69 PHE N N 69 119.727 116.441 3.286 1
1 811 . 18 1 1 A 70 70 ALA H H 70 7.809 8.405 -0.596 1
1 812 . 18 1 1 A 70 70 ALA HA H 70 5.256 4.863 0.393 1
1 816 . 18 1 1 A 70 70 ALA C C 70 175.703 175.052 0.651 1
1 817 . 18 1 1 A 70 70 ALA CA C 70 50.800 51.321 -0.521 1
1 818 . 18 1 1 A 70 70 ALA CB C 70 24.061 22.940 1.121 1
1 819 . 18 1 1 A 70 70 ALA N N 70 121.782 120.721 1.061 1
1 820 . 18 1 1 A 71 71 ARG H H 71 8.792 8.178 0.614 1
1 821 . 18 1 1 A 71 71 ARG HA H 71 4.828 5.092 -0.264 1
1 828 . 18 1 1 A 71 71 ARG C C 71 175.613 175.595 0.018 1
1 829 . 18 1 1 A 71 71 ARG CA C 71 54.220 54.414 -0.194 1
1 830 . 18 1 1 A 71 71 ARG CB C 71 33.286 32.197 1.089 1
1 833 . 18 1 1 A 71 71 ARG N N 71 119.543 118.784 0.759 1
1 834 . 18 1 1 A 72 72 PHE H H 72 9.194 8.952 0.242 1
1 835 . 18 1 1 A 72 72 PHE HA H 72 4.604 4.395 0.209 1
1 843 . 18 1 1 A 72 72 PHE C C 72 176.818 175.853 0.965 1
1 844 . 18 1 1 A 72 72 PHE CA C 72 59.896 59.186 0.710 1
1 845 . 18 1 1 A 72 72 PHE CB C 72 39.079 38.911 0.168 1
1 851 . 18 1 1 A 72 72 PHE N N 72 125.006 123.997 1.009 1
1 852 . 18 1 1 A 73 73 ILE H H 73 8.574 8.546 0.028 1
1 853 . 18 1 1 A 73 73 ILE HA H 73 4.390 3.935 0.455 1
1 863 . 18 1 1 A 73 73 ILE C C 73 176.086 176.727 -0.641 1
1 864 . 18 1 1 A 73 73 ILE CA C 73 61.450 64.009 -2.559 1
1 865 . 18 1 1 A 73 73 ILE CB C 73 39.508 38.177 1.331 1
1 869 . 18 1 1 A 73 73 ILE N N 73 120.816 127.523 -6.707 1
1 870 . 18 1 1 A 74 74 SER H H 74 8.329 7.939 0.390 1
1 871 . 18 1 1 A 74 74 SER HA H 74 4.626 4.963 -0.337 1
1 874 . 18 1 1 A 74 74 SER C C 74 174.223 173.458 0.765 1
1 875 . 18 1 1 A 74 74 SER CA C 74 58.169 57.776 0.393 1
1 876 . 18 1 1 A 74 74 SER CB C 74 64.370 66.324 -1.954 1
1 877 . 18 1 1 A 74 74 SER N N 74 118.251 112.997 5.254 1
1 878 . 18 1 1 A 75 75 GLY H H 75 8.372 8.440 -0.068 1
1 879 . 18 1 1 A 75 75 GLY HA2 H 75 4.149 4.242 -0.093 1
1 880 . 18 1 1 A 75 75 GLY HA3 H 75 4.149 4.254 -0.105 1
1 881 . 18 1 1 A 75 75 GLY C C 75 171.907 172.872 -0.965 1
1 882 . 18 1 1 A 75 75 GLY CA C 75 44.682 46.129 -1.447 1
1 883 . 18 1 1 A 75 75 GLY N N 75 109.951 111.977 -2.026 1
1 884 . 18 1 1 A 76 76 PRO HA H 76 4.456 4.659 -0.203 1
1 891 . 18 1 1 A 76 76 PRO CA C 76 63.394 62.591 0.803 1
1 892 . 18 1 1 A 76 76 PRO CB C 76 32.180 31.578 0.602 1
1 1 . 19 1 1 A 6 6 SER HA H 6 4.486 5.300 -0.814 1
1 3 . 19 1 1 A 6 6 SER CA C 6 58.492 57.517 0.975 1
1 4 . 19 1 1 A 6 6 SER CB C 6 64.343 65.128 -0.785 1
1 5 . 19 1 1 A 7 7 GLY H H 7 8.044 8.422 -0.378 1
1 6 . 19 1 1 A 7 7 GLY HA2 H 7 4.458 4.187 0.271 1
1 7 . 19 1 1 A 7 7 GLY HA3 H 7 3.780 4.218 -0.438 1
1 8 . 19 1 1 A 7 7 GLY C C 7 174.131 172.121 2.010 1
1 9 . 19 1 1 A 7 7 GLY CA C 7 45.458 45.971 -0.513 1
1 10 . 19 1 1 A 7 7 GLY N N 7 116.867 110.457 6.410 1
1 11 . 19 1 1 A 8 8 TRP H H 8 8.111 8.829 -0.718 1
1 12 . 19 1 1 A 8 8 TRP HA H 8 4.626 5.075 -0.449 1
1 21 . 19 1 1 A 8 8 TRP C C 8 176.673 175.741 0.932 1
1 22 . 19 1 1 A 8 8 TRP CA C 8 57.729 56.309 1.420 1
1 23 . 19 1 1 A 8 8 TRP CB C 8 29.413 31.297 -1.884 1
1 29 . 19 1 1 A 8 8 TRP N N 8 121.258 127.083 -5.825 1
1 31 . 19 1 1 A 9 9 GLN H H 9 8.229 9.283 -1.054 1
1 32 . 19 1 1 A 9 9 GLN HA H 9 4.133 3.901 0.232 1
1 39 . 19 1 1 A 9 9 GLN C C 9 176.147 175.684 0.463 1
1 40 . 19 1 1 A 9 9 GLN CA C 9 56.283 56.894 -0.611 1
1 41 . 19 1 1 A 9 9 GLN CB C 9 29.125 27.703 1.422 1
1 43 . 19 1 1 A 9 9 GLN N N 9 122.756 127.199 -4.443 1
1 45 . 19 1 1 A 10 10 GLY H H 10 7.500 8.676 -1.176 1
1 46 . 19 1 1 A 10 10 GLY HA2 H 10 3.744 3.968 -0.224 1
1 47 . 19 1 1 A 10 10 GLY HA3 H 10 3.714 3.973 -0.259 1
1 48 . 19 1 1 A 10 10 GLY C C 10 174.092 173.918 0.174 1
1 49 . 19 1 1 A 10 10 GLY CA C 10 45.335 46.413 -1.078 1
1 50 . 19 1 1 A 10 10 GLY N N 10 108.221 105.212 3.009 1
1 51 . 19 1 1 A 11 11 LEU H H 11 8.029 8.100 -0.071 1
1 52 . 19 1 1 A 11 11 LEU HA H 11 4.368 4.931 -0.563 1
1 62 . 19 1 1 A 11 11 LEU C C 11 177.808 176.026 1.782 1
1 63 . 19 1 1 A 11 11 LEU CA C 11 55.348 52.752 2.596 1
1 64 . 19 1 1 A 11 11 LEU CB C 11 42.515 44.306 -1.791 1
1 68 . 19 1 1 A 11 11 LEU N N 11 121.136 125.588 -4.452 1
1 69 . 19 1 1 A 12 12 SER H H 12 8.388 8.506 -0.118 1
1 70 . 19 1 1 A 12 12 SER HA H 12 4.370 4.145 0.225 1
1 73 . 19 1 1 A 12 12 SER CA C 12 58.716 58.816 -0.100 1
1 74 . 19 1 1 A 12 12 SER CB C 12 63.835 61.781 2.054 1
1 75 . 19 1 1 A 12 12 SER N N 12 116.252 120.095 -3.843 1
1 76 . 19 1 1 A 13 13 SER HA H 13 4.481 4.907 -0.426 1
1 79 . 19 1 1 A 13 13 SER C C 13 175.161 174.554 0.607 1
1 80 . 19 1 1 A 13 13 SER CA C 13 58.442 57.873 0.569 1
1 81 . 19 1 1 A 13 13 SER CB C 13 63.798 65.645 -1.847 1
1 82 . 19 1 1 A 14 14 LYS H H 14 8.372 8.943 -0.571 1
1 83 . 19 1 1 A 14 14 LYS HA H 14 4.226 3.974 0.252 1
1 92 . 19 1 1 A 14 14 LYS C C 14 177.249 176.778 0.471 1
1 93 . 19 1 1 A 14 14 LYS CA C 14 57.303 59.465 -2.162 1
1 94 . 19 1 1 A 14 14 LYS CB C 14 32.694 32.663 0.031 1
1 98 . 19 1 1 A 14 14 LYS N N 14 123.245 128.697 -5.452 1
1 99 . 19 1 1 A 15 15 GLY H H 15 8.213 7.600 0.613 1
1 100 . 19 1 1 A 15 15 GLY HA2 H 15 3.924 4.033 -0.109 1
1 101 . 19 1 1 A 15 15 GLY HA3 H 15 3.924 4.035 -0.111 1
1 102 . 19 1 1 A 15 15 GLY C C 15 173.863 174.572 -0.709 1
1 103 . 19 1 1 A 15 15 GLY CA C 15 45.599 45.472 0.127 1
1 104 . 19 1 1 A 15 15 GLY N N 15 107.368 106.902 0.466 1
1 105 . 19 1 1 A 16 16 ASP H H 16 8.091 8.332 -0.241 1
1 106 . 19 1 1 A 16 16 ASP HA H 16 4.711 4.844 -0.133 1
1 109 . 19 1 1 A 16 16 ASP C C 16 176.074 175.480 0.594 1
1 110 . 19 1 1 A 16 16 ASP CA C 16 54.167 53.102 1.065 1
1 111 . 19 1 1 A 16 16 ASP CB C 16 41.155 41.480 -0.325 1
1 112 . 19 1 1 A 16 16 ASP N N 16 119.368 119.922 -0.554 1
1 113 . 19 1 1 A 17 17 LEU H H 17 7.757 7.328 0.429 1
1 114 . 19 1 1 A 17 17 LEU HA H 17 4.641 4.443 0.198 1
1 124 . 19 1 1 A 17 17 LEU C C 17 174.627 174.664 -0.037 1
1 125 . 19 1 1 A 17 17 LEU CA C 17 53.286 53.657 -0.371 1
1 126 . 19 1 1 A 17 17 LEU CB C 17 41.003 41.036 -0.033 1
1 130 . 19 1 1 A 17 17 LEU N N 17 122.770 122.011 0.759 1
1 131 . 19 1 1 A 18 18 PRO HA H 18 4.619 4.846 -0.227 1
1 138 . 19 1 1 A 18 18 PRO C C 18 175.014 176.134 -1.120 1
1 139 . 19 1 1 A 18 18 PRO CA C 18 62.756 62.630 0.126 1
1 140 . 19 1 1 A 18 18 PRO CB C 18 32.631 32.850 -0.219 1
1 143 . 19 1 1 A 19 19 GLN H H 19 8.295 8.513 -0.218 1
1 144 . 19 1 1 A 19 19 GLN HA H 19 5.396 5.059 0.337 1
1 151 . 19 1 1 A 19 19 GLN C C 19 176.012 174.787 1.225 1
1 152 . 19 1 1 A 19 19 GLN CA C 19 54.094 54.128 -0.034 1
1 153 . 19 1 1 A 19 19 GLN CB C 19 32.478 32.526 -0.048 1
1 155 . 19 1 1 A 19 19 GLN N N 19 117.612 120.171 -2.559 1
1 157 . 19 1 1 A 20 20 VAL H H 20 9.005 8.440 0.565 1
1 158 . 19 1 1 A 20 20 VAL HA H 20 5.133 4.770 0.363 1
1 166 . 19 1 1 A 20 20 VAL C C 20 173.875 173.968 -0.093 1
1 167 . 19 1 1 A 20 20 VAL CA C 20 57.486 59.408 -1.922 1
1 168 . 19 1 1 A 20 20 VAL CB C 20 35.076 34.523 0.553 1
1 171 . 19 1 1 A 20 20 VAL N N 20 112.092 117.991 -5.899 1
1 172 . 19 1 1 A 21 21 GLU H H 21 8.901 8.404 0.497 1
1 173 . 19 1 1 A 21 21 GLU HA H 21 5.199 4.942 0.257 1
1 178 . 19 1 1 A 21 21 GLU C C 21 175.780 175.774 0.006 1
1 179 . 19 1 1 A 21 21 GLU CA C 21 53.268 55.383 -2.115 1
1 180 . 19 1 1 A 21 21 GLU CB C 21 32.997 31.163 1.834 1
1 182 . 19 1 1 A 21 21 GLU N N 21 119.970 124.089 -4.119 1
1 183 . 19 1 1 A 22 22 ILE H H 22 8.656 9.818 -1.162 1
1 184 . 19 1 1 A 22 22 ILE HA H 22 4.742 4.199 0.543 1
1 194 . 19 1 1 A 22 22 ILE C C 22 179.107 177.525 1.582 1
1 195 . 19 1 1 A 22 22 ILE CA C 22 58.064 62.203 -4.139 1
1 196 . 19 1 1 A 22 22 ILE CB C 22 34.481 37.818 -3.337 1
1 200 . 19 1 1 A 22 22 ILE N N 22 125.654 127.955 -2.301 1
1 201 . 19 1 1 A 23 23 THR H H 23 9.206 8.941 0.265 1
1 202 . 19 1 1 A 23 23 THR HA H 23 4.230 4.396 -0.166 1
1 207 . 19 1 1 A 23 23 THR C C 23 174.481 174.464 0.017 1
1 208 . 19 1 1 A 23 23 THR CA C 23 62.787 62.884 -0.097 1
1 209 . 19 1 1 A 23 23 THR CB C 23 68.779 69.263 -0.484 1
1 211 . 19 1 1 A 23 23 THR N N 23 122.259 119.498 2.761 1
1 212 . 19 1 1 A 24 24 LYS H H 24 7.443 7.570 -0.127 1
1 213 . 19 1 1 A 24 24 LYS HA H 24 4.332 4.907 -0.575 1
1 222 . 19 1 1 A 24 24 LYS C C 24 172.169 175.662 -3.493 1
1 223 . 19 1 1 A 24 24 LYS CA C 24 55.154 54.471 0.683 1
1 224 . 19 1 1 A 24 24 LYS CB C 24 35.137 35.545 -0.408 1
1 228 . 19 1 1 A 24 24 LYS N N 24 121.874 118.093 3.781 1
1 229 . 19 1 1 A 25 25 ALA H H 25 8.259 8.617 -0.358 1
1 230 . 19 1 1 A 25 25 ALA HA H 25 3.914 4.354 -0.440 1
1 234 . 19 1 1 A 25 25 ALA C C 25 176.411 176.432 -0.021 1
1 235 . 19 1 1 A 25 25 ALA CA C 25 53.409 52.740 0.669 1
1 236 . 19 1 1 A 25 25 ALA CB C 25 19.113 18.786 0.327 1
1 237 . 19 1 1 A 25 25 ALA N N 25 121.708 124.286 -2.578 1
1 238 . 19 1 1 A 26 26 PHE H H 26 8.058 8.829 -0.771 1
1 239 . 19 1 1 A 26 26 PHE HA H 26 4.742 4.985 -0.243 1
1 247 . 19 1 1 A 26 26 PHE C C 26 172.769 173.768 -0.999 1
1 248 . 19 1 1 A 26 26 PHE CA C 26 56.354 56.231 0.123 1
1 249 . 19 1 1 A 26 26 PHE CB C 26 42.608 40.785 1.823 1
1 255 . 19 1 1 A 26 26 PHE N N 26 121.151 125.691 -4.540 1
1 256 . 19 1 1 A 27 27 PHE H H 27 7.752 8.775 -1.023 1
1 257 . 19 1 1 A 27 27 PHE HA H 27 4.469 4.738 -0.269 1
1 265 . 19 1 1 A 27 27 PHE C C 27 173.594 174.903 -1.309 1
1 266 . 19 1 1 A 27 27 PHE CA C 27 56.088 57.235 -1.147 1
1 267 . 19 1 1 A 27 27 PHE CB C 27 39.425 39.288 0.137 1
1 273 . 19 1 1 A 27 27 PHE N N 27 125.818 126.430 -0.612 1
1 274 . 19 1 1 A 28 28 ALA H H 28 8.045 8.438 -0.393 1
1 275 . 19 1 1 A 28 28 ALA HA H 28 4.002 4.408 -0.406 1
1 279 . 19 1 1 A 28 28 ALA C C 28 178.303 178.463 -0.160 1
1 280 . 19 1 1 A 28 28 ALA CA C 28 52.898 52.660 0.238 1
1 281 . 19 1 1 A 28 28 ALA CB C 28 20.853 18.905 1.948 1
1 282 . 19 1 1 A 28 28 ALA N N 28 126.105 127.434 -1.329 1
1 283 . 19 1 1 A 29 29 LYS H H 29 9.282 8.362 0.920 1
1 284 . 19 1 1 A 29 29 LYS HA H 29 4.524 4.559 -0.035 1
1 293 . 19 1 1 A 29 29 LYS C C 29 176.347 176.852 -0.505 1
1 294 . 19 1 1 A 29 29 LYS CA C 29 56.187 56.742 -0.555 1
1 295 . 19 1 1 A 29 29 LYS CB C 29 34.585 34.288 0.297 1
1 299 . 19 1 1 A 29 29 LYS N N 29 120.760 119.601 1.159 1
1 300 . 19 1 1 A 30 30 GLN H H 30 7.738 7.657 0.081 1
1 301 . 19 1 1 A 30 30 GLN HA H 30 4.657 4.421 0.236 1
1 308 . 19 1 1 A 30 30 GLN C C 30 177.059 176.056 1.003 1
1 309 . 19 1 1 A 30 30 GLN CA C 30 53.885 55.094 -1.209 1
1 310 . 19 1 1 A 30 30 GLN CB C 30 31.349 29.718 1.631 1
1 312 . 19 1 1 A 30 30 GLN N N 30 116.957 119.357 -2.400 1
1 314 . 19 1 1 A 31 31 ALA H H 31 8.719 8.378 0.341 1
1 315 . 19 1 1 A 31 31 ALA HA H 31 4.189 4.367 -0.178 1
1 319 . 19 1 1 A 31 31 ALA C C 31 177.686 177.926 -0.240 1
1 320 . 19 1 1 A 31 31 ALA CA C 31 54.960 53.112 1.848 1
1 321 . 19 1 1 A 31 31 ALA CB C 31 18.859 19.519 -0.660 1
1 322 . 19 1 1 A 31 31 ALA N N 31 122.985 123.440 -0.455 1
1 323 . 19 1 1 A 32 32 ASP H H 32 8.436 8.098 0.338 1
1 324 . 19 1 1 A 32 32 ASP HA H 32 4.904 4.929 -0.025 1
1 327 . 19 1 1 A 32 32 ASP C C 32 176.845 176.653 0.192 1
1 328 . 19 1 1 A 32 32 ASP CA C 32 54.044 54.355 -0.311 1
1 329 . 19 1 1 A 32 32 ASP CB C 32 40.166 42.523 -2.357 1
1 330 . 19 1 1 A 32 32 ASP N N 32 113.224 117.928 -4.704 1
1 331 . 19 1 1 A 33 33 GLU H H 33 7.632 8.097 -0.465 1
1 332 . 19 1 1 A 33 33 GLU HA H 33 5.578 4.847 0.731 1
1 337 . 19 1 1 A 33 33 GLU C C 33 175.518 175.359 0.159 1
1 338 . 19 1 1 A 33 33 GLU CA C 33 55.437 56.858 -1.421 1
1 339 . 19 1 1 A 33 33 GLU CB C 33 33.079 31.065 2.014 1
1 341 . 19 1 1 A 33 33 GLU N N 33 119.902 118.829 1.073 1
1 342 . 19 1 1 A 34 34 VAL H H 34 8.311 8.823 -0.512 1
1 343 . 19 1 1 A 34 34 VAL HA H 34 4.791 4.958 -0.167 1
1 351 . 19 1 1 A 34 34 VAL C C 34 171.861 174.631 -2.770 1
1 352 . 19 1 1 A 34 34 VAL CA C 34 58.152 60.110 -1.958 1
1 353 . 19 1 1 A 34 34 VAL CB C 34 35.881 35.272 0.609 1
1 356 . 19 1 1 A 34 34 VAL N N 34 119.872 120.655 -0.783 1
1 357 . 19 1 1 A 35 35 THR H H 35 8.047 8.750 -0.703 1
1 358 . 19 1 1 A 35 35 THR HA H 35 4.559 4.937 -0.378 1
1 363 . 19 1 1 A 35 35 THR C C 35 174.643 173.993 0.650 1
1 364 . 19 1 1 A 35 35 THR CA C 35 62.859 63.027 -0.168 1
1 365 . 19 1 1 A 35 35 THR CB C 35 69.626 69.223 0.403 1
1 367 . 19 1 1 A 35 35 THR N N 35 123.767 123.690 0.077 1
1 368 . 19 1 1 A 36 36 LEU H H 36 9.001 8.566 0.435 1
1 369 . 19 1 1 A 36 36 LEU HA H 36 4.571 5.049 -0.478 1
1 379 . 19 1 1 A 36 36 LEU C C 36 176.087 175.804 0.283 1
1 380 . 19 1 1 A 36 36 LEU CA C 36 53.374 53.490 -0.116 1
1 381 . 19 1 1 A 36 36 LEU CB C 36 47.954 45.960 1.994 1
1 385 . 19 1 1 A 36 36 LEU N N 36 127.439 126.596 0.843 1
1 386 . 19 1 1 A 37 37 GLN H H 37 8.889 8.647 0.242 1
1 387 . 19 1 1 A 37 37 GLN HA H 37 4.298 4.905 -0.607 1
1 394 . 19 1 1 A 37 37 GLN C C 37 175.508 175.076 0.432 1
1 395 . 19 1 1 A 37 37 GLN CA C 37 53.621 53.720 -0.099 1
1 396 . 19 1 1 A 37 37 GLN CB C 37 30.567 32.539 -1.972 1
1 398 . 19 1 1 A 37 37 GLN N N 37 121.687 119.343 2.344 1
1 400 . 19 1 1 A 38 38 GLN H H 38 8.517 8.551 -0.034 1
1 401 . 19 1 1 A 38 38 GLN HA H 38 3.378 3.892 -0.514 1
1 408 . 19 1 1 A 38 38 GLN C C 38 176.738 176.483 0.255 1
1 409 . 19 1 1 A 38 38 GLN CA C 38 58.584 57.265 1.319 1
1 410 . 19 1 1 A 38 38 GLN CB C 38 28.151 28.436 -0.285 1
1 412 . 19 1 1 A 38 38 GLN N N 38 120.664 122.441 -1.777 1
1 414 . 19 1 1 A 39 39 ALA H H 39 9.200 9.723 -0.523 1
1 415 . 19 1 1 A 39 39 ALA HA H 39 3.948 3.864 0.084 1
1 419 . 19 1 1 A 39 39 ALA C C 39 177.251 175.624 1.627 1
1 420 . 19 1 1 A 39 39 ALA CA C 39 54.731 53.188 1.543 1
1 421 . 19 1 1 A 39 39 ALA CB C 39 17.134 17.403 -0.269 1
1 422 . 19 1 1 A 39 39 ALA N N 39 123.253 123.571 -0.318 1
1 423 . 19 1 1 A 40 40 ASP H H 40 8.025 7.279 0.746 1
1 424 . 19 1 1 A 40 40 ASP HA H 40 4.498 5.121 -0.623 1
1 427 . 19 1 1 A 40 40 ASP C C 40 175.010 174.911 0.099 1
1 428 . 19 1 1 A 40 40 ASP CA C 40 56.407 52.879 3.528 1
1 429 . 19 1 1 A 40 40 ASP CB C 40 41.713 43.123 -1.410 1
1 430 . 19 1 1 A 40 40 ASP N N 40 121.075 116.204 4.871 1
1 431 . 19 1 1 A 41 41 VAL H H 41 7.518 8.778 -1.260 1
1 432 . 19 1 1 A 41 41 VAL HA H 41 5.060 4.562 0.498 1
1 440 . 19 1 1 A 41 41 VAL C C 41 176.546 175.171 1.375 1
1 441 . 19 1 1 A 41 41 VAL CA C 41 61.818 61.647 0.171 1
1 442 . 19 1 1 A 41 41 VAL CB C 41 32.997 33.111 -0.114 1
1 445 . 19 1 1 A 41 41 VAL N N 41 119.767 123.376 -3.609 1
1 446 . 19 1 1 A 42 42 VAL H H 42 9.086 8.508 0.578 1
1 447 . 19 1 1 A 42 42 VAL HA H 42 4.528 4.534 -0.006 1
1 455 . 19 1 1 A 42 42 VAL C C 42 173.762 174.618 -0.856 1
1 456 . 19 1 1 A 42 42 VAL CA C 42 60.363 60.366 -0.003 1
1 457 . 19 1 1 A 42 42 VAL CB C 42 35.736 35.832 -0.096 1
1 460 . 19 1 1 A 42 42 VAL N N 42 129.212 127.577 1.635 1
1 461 . 19 1 1 A 43 43 LEU H H 43 8.855 9.000 -0.145 1
1 462 . 19 1 1 A 43 43 LEU HA H 43 4.651 4.741 -0.090 1
1 472 . 19 1 1 A 43 43 LEU C C 43 175.853 175.653 0.200 1
1 473 . 19 1 1 A 43 43 LEU CA C 43 54.132 54.222 -0.090 1
1 474 . 19 1 1 A 43 43 LEU CB C 43 44.039 43.071 0.968 1
1 478 . 19 1 1 A 43 43 LEU N N 43 128.624 129.855 -1.231 1
1 479 . 19 1 1 A 44 44 VAL H H 44 8.835 9.010 -0.175 1
1 480 . 19 1 1 A 44 44 VAL HA H 44 3.837 4.363 -0.526 1
1 488 . 19 1 1 A 44 44 VAL C C 44 174.445 175.756 -1.311 1
1 489 . 19 1 1 A 44 44 VAL CA C 44 64.603 63.732 0.871 1
1 490 . 19 1 1 A 44 44 VAL CB C 44 32.325 32.347 -0.022 1
1 493 . 19 1 1 A 44 44 VAL N N 44 126.525 128.074 -1.549 1
1 494 . 19 1 1 A 45 45 LEU H H 45 9.166 9.885 -0.719 1
1 495 . 19 1 1 A 45 45 LEU HA H 45 4.488 4.551 -0.063 1
1 505 . 19 1 1 A 45 45 LEU C C 45 177.820 176.423 1.397 1
1 506 . 19 1 1 A 45 45 LEU CA C 45 56.137 55.678 0.459 1
1 507 . 19 1 1 A 45 45 LEU CB C 45 43.957 43.574 0.383 1
1 511 . 19 1 1 A 45 45 LEU N N 45 127.543 126.785 0.758 1
1 512 . 19 1 1 A 46 46 GLN H H 46 8.074 7.642 0.432 1
1 513 . 19 1 1 A 46 46 GLN HA H 46 4.643 4.745 -0.102 1
1 520 . 19 1 1 A 46 46 GLN C C 46 173.225 174.728 -1.503 1
1 521 . 19 1 1 A 46 46 GLN CA C 46 55.277 54.361 0.916 1
1 522 . 19 1 1 A 46 46 GLN CB C 46 33.285 30.788 2.497 1
1 524 . 19 1 1 A 46 46 GLN N N 46 115.961 116.942 -0.981 1
1 526 . 19 1 1 A 47 47 GLN H H 47 8.683 8.983 -0.300 1
1 527 . 19 1 1 A 47 47 GLN HA H 47 5.194 4.807 0.387 1
1 534 . 19 1 1 A 47 47 GLN C C 47 174.366 174.789 -0.423 1
1 535 . 19 1 1 A 47 47 GLN CA C 47 55.243 55.787 -0.544 1
1 536 . 19 1 1 A 47 47 GLN CB C 47 31.473 29.710 1.763 1
1 538 . 19 1 1 A 47 47 GLN N N 47 121.742 124.254 -2.512 1
1 540 . 19 1 1 A 48 48 GLU H H 48 9.201 9.045 0.156 1
1 541 . 19 1 1 A 48 48 GLU HA H 48 4.669 5.070 -0.401 1
1 546 . 19 1 1 A 48 48 GLU C C 48 175.622 175.304 0.318 1
1 547 . 19 1 1 A 48 48 GLU CA C 48 56.134 54.795 1.339 1
1 548 . 19 1 1 A 48 48 GLU CB C 48 33.098 33.366 -0.268 1
1 550 . 19 1 1 A 48 48 GLU N N 48 124.529 125.458 -0.929 1
1 551 . 19 1 1 A 49 49 ASP H H 49 9.177 8.827 0.350 1
1 552 . 19 1 1 A 49 49 ASP HA H 49 4.424 4.358 0.066 1
1 555 . 19 1 1 A 49 49 ASP C C 49 175.771 176.834 -1.063 1
1 556 . 19 1 1 A 49 49 ASP CA C 49 56.001 55.870 0.131 1
1 557 . 19 1 1 A 49 49 ASP CB C 49 40.478 40.434 0.044 1
1 558 . 19 1 1 A 49 49 ASP N N 49 125.649 126.544 -0.895 1
1 559 . 19 1 1 A 50 50 GLY H H 50 8.750 8.809 -0.059 1
1 560 . 19 1 1 A 50 50 GLY HA2 H 50 4.266 3.991 0.275 1
1 561 . 19 1 1 A 50 50 GLY HA3 H 50 3.753 4.110 -0.357 1
1 562 . 19 1 1 A 50 50 GLY C C 50 174.455 173.387 1.068 1
1 563 . 19 1 1 A 50 50 GLY CA C 50 45.969 45.350 0.619 1
1 564 . 19 1 1 A 50 50 GLY N N 50 108.057 113.571 -5.514 1
1 565 . 19 1 1 A 51 51 TRP H H 51 8.427 8.223 0.204 1
1 566 . 19 1 1 A 51 51 TRP HA H 51 4.877 5.276 -0.399 1
1 575 . 19 1 1 A 51 51 TRP C C 51 173.525 175.655 -2.130 1
1 576 . 19 1 1 A 51 51 TRP CA C 51 57.270 55.515 1.755 1
1 577 . 19 1 1 A 51 51 TRP CB C 51 32.690 33.899 -1.209 1
1 583 . 19 1 1 A 51 51 TRP N N 51 122.784 120.815 1.969 1
1 585 . 19 1 1 A 52 52 LEU H H 52 9.368 9.477 -0.109 1
1 586 . 19 1 1 A 52 52 LEU HA H 52 4.987 4.818 0.169 1
1 596 . 19 1 1 A 52 52 LEU C C 52 173.005 174.667 -1.662 1
1 597 . 19 1 1 A 52 52 LEU CA C 52 52.634 52.821 -0.187 1
1 598 . 19 1 1 A 52 52 LEU CB C 52 43.833 42.902 0.931 1
1 602 . 19 1 1 A 52 52 LEU N N 52 121.750 124.049 -2.299 1
1 603 . 19 1 1 A 53 53 TYR H H 53 8.267 9.694 -1.427 1
1 604 . 19 1 1 A 53 53 TYR HA H 53 4.513 4.543 -0.030 1
1 611 . 19 1 1 A 53 53 TYR C C 53 176.111 175.014 1.097 1
1 612 . 19 1 1 A 53 53 TYR CA C 53 55.283 58.075 -2.792 1
1 613 . 19 1 1 A 53 53 TYR CB C 53 39.251 38.858 0.393 1
1 618 . 19 1 1 A 53 53 TYR N N 53 122.457 126.669 -4.212 1
1 619 . 19 1 1 A 54 54 GLY H H 54 8.238 7.741 0.497 1
1 620 . 19 1 1 A 54 54 GLY HA2 H 54 4.706 4.059 0.647 1
1 621 . 19 1 1 A 54 54 GLY HA3 H 54 3.802 4.301 -0.499 1
1 622 . 19 1 1 A 54 54 GLY C C 54 168.928 171.309 -2.381 1
1 623 . 19 1 1 A 54 54 GLY CA C 54 45.792 45.831 -0.039 1
1 624 . 19 1 1 A 54 54 GLY N N 54 112.598 111.849 0.749 1
1 625 . 19 1 1 A 55 55 GLU H H 55 8.400 9.299 -0.899 1
1 626 . 19 1 1 A 55 55 GLU HA H 55 4.718 4.961 -0.243 1
1 631 . 19 1 1 A 55 55 GLU C C 55 175.540 175.457 0.083 1
1 632 . 19 1 1 A 55 55 GLU CA C 55 53.268 54.790 -1.522 1
1 633 . 19 1 1 A 55 55 GLU CB C 55 34.264 32.750 1.514 1
1 635 . 19 1 1 A 55 55 GLU N N 55 118.345 120.780 -2.435 1
1 636 . 19 1 1 A 56 56 ARG H H 56 9.654 8.505 1.149 1
1 637 . 19 1 1 A 56 56 ARG HA H 56 4.309 4.404 -0.095 1
1 645 . 19 1 1 A 56 56 ARG C C 56 176.838 176.555 0.283 1
1 646 . 19 1 1 A 56 56 ARG CA C 56 57.492 56.425 1.067 1
1 647 . 19 1 1 A 56 56 ARG CB C 56 30.854 30.555 0.299 1
1 650 . 19 1 1 A 56 56 ARG N N 56 129.571 128.391 1.180 1
1 652 . 19 1 1 A 57 57 LEU H H 57 8.195 8.566 -0.371 1
1 653 . 19 1 1 A 57 57 LEU HA H 57 4.021 4.400 -0.379 1
1 663 . 19 1 1 A 57 57 LEU C C 57 179.671 178.870 0.801 1
1 664 . 19 1 1 A 57 57 LEU CA C 57 58.338 57.478 0.860 1
1 665 . 19 1 1 A 57 57 LEU CB C 57 41.939 41.255 0.684 1
1 669 . 19 1 1 A 57 57 LEU N N 57 129.973 126.603 3.370 1
1 670 . 19 1 1 A 58 58 ARG H H 58 8.494 8.159 0.335 1
1 671 . 19 1 1 A 58 58 ARG HA H 58 4.112 3.949 0.163 1
1 678 . 19 1 1 A 58 58 ARG C C 58 176.402 177.860 -1.458 1
1 679 . 19 1 1 A 58 58 ARG CA C 58 59.139 59.561 -0.422 1
1 680 . 19 1 1 A 58 58 ARG CB C 58 30.106 30.218 -0.112 1
1 683 . 19 1 1 A 58 58 ARG N N 58 115.005 121.276 -6.271 1
1 684 . 19 1 1 A 59 59 ASP H H 59 7.392 8.149 -0.757 1
1 685 . 19 1 1 A 59 59 ASP HA H 59 4.803 4.743 0.060 1
1 688 . 19 1 1 A 59 59 ASP C C 59 176.801 177.020 -0.219 1
1 689 . 19 1 1 A 59 59 ASP CA C 59 52.827 53.931 -1.104 1
1 690 . 19 1 1 A 59 59 ASP CB C 59 42.144 42.302 -0.158 1
1 691 . 19 1 1 A 59 59 ASP N N 59 113.739 115.895 -2.156 1
1 692 . 19 1 1 A 60 60 GLY H H 60 8.435 9.015 -0.580 1
1 693 . 19 1 1 A 60 60 GLY HA2 H 60 4.125 3.939 0.186 1
1 694 . 19 1 1 A 60 60 GLY HA3 H 60 3.868 3.953 -0.085 1
1 695 . 19 1 1 A 60 60 GLY C C 60 174.707 174.303 0.404 1
1 696 . 19 1 1 A 60 60 GLY CA C 60 45.917 45.603 0.314 1
1 697 . 19 1 1 A 60 60 GLY N N 60 110.642 106.475 4.167 1
1 698 . 19 1 1 A 61 61 GLU H H 61 7.527 7.932 -0.405 1
1 699 . 19 1 1 A 61 61 GLU HA H 61 4.163 4.587 -0.424 1
1 704 . 19 1 1 A 61 61 GLU C C 61 176.225 175.760 0.465 1
1 705 . 19 1 1 A 61 61 GLU CA C 61 58.222 55.493 2.729 1
1 706 . 19 1 1 A 61 61 GLU CB C 61 29.825 30.982 -1.157 1
1 708 . 19 1 1 A 61 61 GLU N N 61 123.061 121.451 1.610 1
1 709 . 19 1 1 A 62 62 THR H H 62 8.451 8.691 -0.240 1
1 710 . 19 1 1 A 62 62 THR HA H 62 5.666 4.813 0.853 1
1 715 . 19 1 1 A 62 62 THR C C 62 174.469 173.919 0.550 1
1 716 . 19 1 1 A 62 62 THR CA C 62 59.826 60.934 -1.108 1
1 717 . 19 1 1 A 62 62 THR CB C 62 72.751 68.845 3.906 1
1 719 . 19 1 1 A 62 62 THR N N 62 117.411 123.555 -6.144 1
1 720 . 19 1 1 A 63 63 GLY H H 63 7.931 8.289 -0.358 1
1 721 . 19 1 1 A 63 63 GLY HA2 H 63 4.124 4.423 -0.299 1
1 722 . 19 1 1 A 63 63 GLY HA3 H 63 3.936 4.511 -0.575 1
1 723 . 19 1 1 A 63 63 GLY C C 63 170.896 172.043 -1.147 1
1 724 . 19 1 1 A 63 63 GLY CA C 63 45.652 45.453 0.199 1
1 725 . 19 1 1 A 63 63 GLY N N 63 108.439 112.051 -3.612 1
1 726 . 19 1 1 A 64 64 TRP H H 64 9.071 9.213 -0.142 1
1 727 . 19 1 1 A 64 64 TRP HA H 64 6.061 5.704 0.357 1
1 736 . 19 1 1 A 64 64 TRP C C 64 177.395 176.431 0.964 1
1 737 . 19 1 1 A 64 64 TRP CA C 64 57.259 56.798 0.461 1
1 738 . 19 1 1 A 64 64 TRP CB C 64 31.882 31.009 0.873 1
1 744 . 19 1 1 A 64 64 TRP N N 64 119.762 120.683 -0.921 1
1 746 . 19 1 1 A 65 65 PHE H H 65 9.657 9.179 0.478 1
1 747 . 19 1 1 A 65 65 PHE HA H 65 4.823 5.533 -0.710 1
1 755 . 19 1 1 A 65 65 PHE C C 65 170.814 172.807 -1.993 1
1 756 . 19 1 1 A 65 65 PHE CA C 65 55.578 55.243 0.335 1
1 757 . 19 1 1 A 65 65 PHE CB C 65 38.245 41.875 -3.630 1
1 763 . 19 1 1 A 65 65 PHE N N 65 116.076 119.768 -3.692 1
1 764 . 19 1 1 A 66 66 PRO HA H 66 3.546 4.306 -0.760 1
1 771 . 19 1 1 A 66 66 PRO C C 66 177.963 177.799 0.164 1
1 772 . 19 1 1 A 66 66 PRO CA C 66 62.065 62.346 -0.281 1
1 773 . 19 1 1 A 66 66 PRO CB C 66 31.116 31.965 -0.849 1
1 776 . 19 1 1 A 67 67 GLU H H 67 8.081 8.604 -0.523 1
1 777 . 19 1 1 A 67 67 GLU HA H 67 3.651 4.112 -0.461 1
1 782 . 19 1 1 A 67 67 GLU C C 67 177.298 178.768 -1.470 1
1 783 . 19 1 1 A 67 67 GLU CA C 67 58.746 59.270 -0.524 1
1 784 . 19 1 1 A 67 67 GLU CB C 67 29.820 29.085 0.735 1
1 786 . 19 1 1 A 67 67 GLU N N 67 121.549 122.282 -0.733 1
1 787 . 19 1 1 A 68 68 ASP H H 68 8.456 8.187 0.269 1
1 788 . 19 1 1 A 68 68 ASP HA H 68 4.539 4.293 0.246 1
1 791 . 19 1 1 A 68 68 ASP C C 68 176.157 177.545 -1.388 1
1 792 . 19 1 1 A 68 68 ASP CA C 68 55.225 57.199 -1.974 1
1 793 . 19 1 1 A 68 68 ASP CB C 68 39.633 40.643 -1.010 1
1 794 . 19 1 1 A 68 68 ASP N N 68 113.915 120.831 -6.916 1
1 795 . 19 1 1 A 69 69 PHE H H 69 7.661 7.560 0.101 1
1 796 . 19 1 1 A 69 69 PHE HA H 69 4.386 4.582 -0.196 1
1 803 . 19 1 1 A 69 69 PHE C C 69 173.252 174.814 -1.562 1
1 804 . 19 1 1 A 69 69 PHE CA C 69 57.758 57.159 0.599 1
1 805 . 19 1 1 A 69 69 PHE CB C 69 37.019 38.489 -1.470 1
1 810 . 19 1 1 A 69 69 PHE N N 69 119.727 116.380 3.347 1
1 811 . 19 1 1 A 70 70 ALA H H 70 7.809 8.531 -0.722 1
1 812 . 19 1 1 A 70 70 ALA HA H 70 5.256 4.717 0.539 1
1 816 . 19 1 1 A 70 70 ALA C C 70 175.703 175.155 0.548 1
1 817 . 19 1 1 A 70 70 ALA CA C 70 50.800 51.285 -0.485 1
1 818 . 19 1 1 A 70 70 ALA CB C 70 24.061 23.077 0.984 1
1 819 . 19 1 1 A 70 70 ALA N N 70 121.782 120.768 1.014 1
1 820 . 19 1 1 A 71 71 ARG H H 71 8.792 8.194 0.598 1
1 821 . 19 1 1 A 71 71 ARG HA H 71 4.828 5.058 -0.230 1
1 828 . 19 1 1 A 71 71 ARG C C 71 175.613 175.449 0.164 1
1 829 . 19 1 1 A 71 71 ARG CA C 71 54.220 54.397 -0.177 1
1 830 . 19 1 1 A 71 71 ARG CB C 71 33.286 32.208 1.078 1
1 833 . 19 1 1 A 71 71 ARG N N 71 119.543 118.548 0.995 1
1 834 . 19 1 1 A 72 72 PHE H H 72 9.194 8.961 0.233 1
1 835 . 19 1 1 A 72 72 PHE HA H 72 4.604 4.393 0.211 1
1 843 . 19 1 1 A 72 72 PHE C C 72 176.818 175.972 0.846 1
1 844 . 19 1 1 A 72 72 PHE CA C 72 59.896 59.225 0.671 1
1 845 . 19 1 1 A 72 72 PHE CB C 72 39.079 38.910 0.169 1
1 851 . 19 1 1 A 72 72 PHE N N 72 125.006 124.171 0.835 1
1 852 . 19 1 1 A 73 73 ILE H H 73 8.574 8.593 -0.019 1
1 853 . 19 1 1 A 73 73 ILE HA H 73 4.390 3.937 0.453 1
1 863 . 19 1 1 A 73 73 ILE C C 73 176.086 176.757 -0.671 1
1 864 . 19 1 1 A 73 73 ILE CA C 73 61.450 64.013 -2.563 1
1 865 . 19 1 1 A 73 73 ILE CB C 73 39.508 38.133 1.375 1
1 869 . 19 1 1 A 73 73 ILE N N 73 120.816 127.444 -6.628 1
1 870 . 19 1 1 A 74 74 SER H H 74 8.329 7.772 0.557 1
1 871 . 19 1 1 A 74 74 SER HA H 74 4.626 4.849 -0.223 1
1 874 . 19 1 1 A 74 74 SER C C 74 174.223 173.664 0.559 1
1 875 . 19 1 1 A 74 74 SER CA C 74 58.169 57.655 0.514 1
1 876 . 19 1 1 A 74 74 SER CB C 74 64.370 66.044 -1.674 1
1 877 . 19 1 1 A 74 74 SER N N 74 118.251 111.632 6.619 1
1 878 . 19 1 1 A 75 75 GLY H H 75 8.372 8.755 -0.383 1
1 879 . 19 1 1 A 75 75 GLY HA2 H 75 4.149 4.030 0.119 1
1 880 . 19 1 1 A 75 75 GLY HA3 H 75 4.149 4.114 0.035 1
1 881 . 19 1 1 A 75 75 GLY C C 75 171.907 174.052 -2.145 1
1 882 . 19 1 1 A 75 75 GLY CA C 75 44.682 45.774 -1.092 1
1 883 . 19 1 1 A 75 75 GLY N N 75 109.951 112.653 -2.702 1
1 884 . 19 1 1 A 76 76 PRO HA H 76 4.456 4.700 -0.244 1
1 891 . 19 1 1 A 76 76 PRO CA C 76 63.394 62.535 0.859 1
1 892 . 19 1 1 A 76 76 PRO CB C 76 32.180 31.635 0.545 1
1 1 . 20 1 1 A 6 6 SER HA H 6 4.486 4.304 0.182 1
1 3 . 20 1 1 A 6 6 SER CA C 6 58.492 60.864 -2.372 1
1 4 . 20 1 1 A 6 6 SER CB C 6 64.343 63.184 1.159 1
1 5 . 20 1 1 A 7 7 GLY H H 7 8.044 7.341 0.703 1
1 6 . 20 1 1 A 7 7 GLY HA2 H 7 4.458 4.065 0.393 1
1 7 . 20 1 1 A 7 7 GLY HA3 H 7 3.780 4.097 -0.317 1
1 8 . 20 1 1 A 7 7 GLY C C 7 174.131 172.794 1.337 1
1 9 . 20 1 1 A 7 7 GLY CA C 7 45.458 45.400 0.058 1
1 10 . 20 1 1 A 7 7 GLY N N 7 116.867 105.057 11.810 1
1 11 . 20 1 1 A 8 8 TRP H H 8 8.111 8.573 -0.462 1
1 12 . 20 1 1 A 8 8 TRP HA H 8 4.626 4.720 -0.094 1
1 21 . 20 1 1 A 8 8 TRP C C 8 176.673 176.759 -0.086 1
1 22 . 20 1 1 A 8 8 TRP CA C 8 57.729 58.080 -0.351 1
1 23 . 20 1 1 A 8 8 TRP CB C 8 29.413 30.142 -0.729 1
1 29 . 20 1 1 A 8 8 TRP N N 8 121.258 123.024 -1.766 1
1 31 . 20 1 1 A 9 9 GLN H H 9 8.229 8.949 -0.720 1
1 32 . 20 1 1 A 9 9 GLN HA H 9 4.133 4.377 -0.244 1
1 39 . 20 1 1 A 9 9 GLN C C 9 176.147 176.369 -0.222 1
1 40 . 20 1 1 A 9 9 GLN CA C 9 56.283 55.828 0.455 1
1 41 . 20 1 1 A 9 9 GLN CB C 9 29.125 30.489 -1.364 1
1 43 . 20 1 1 A 9 9 GLN N N 9 122.756 122.895 -0.139 1
1 45 . 20 1 1 A 10 10 GLY H H 10 7.500 9.024 -1.524 1
1 46 . 20 1 1 A 10 10 GLY HA2 H 10 3.744 3.819 -0.075 1
1 47 . 20 1 1 A 10 10 GLY HA3 H 10 3.714 3.829 -0.115 1
1 48 . 20 1 1 A 10 10 GLY C C 10 174.092 174.664 -0.572 1
1 49 . 20 1 1 A 10 10 GLY CA C 10 45.335 47.070 -1.735 1
1 50 . 20 1 1 A 10 10 GLY N N 10 108.221 112.215 -3.994 1
1 51 . 20 1 1 A 11 11 LEU H H 11 8.029 8.215 -0.186 1
1 52 . 20 1 1 A 11 11 LEU HA H 11 4.368 4.483 -0.115 1
1 62 . 20 1 1 A 11 11 LEU C C 11 177.808 176.120 1.688 1
1 63 . 20 1 1 A 11 11 LEU CA C 11 55.348 55.942 -0.594 1
1 64 . 20 1 1 A 11 11 LEU CB C 11 42.515 43.917 -1.402 1
1 68 . 20 1 1 A 11 11 LEU N N 11 121.136 121.541 -0.405 1
1 69 . 20 1 1 A 12 12 SER H H 12 8.388 7.932 0.456 1
1 70 . 20 1 1 A 12 12 SER HA H 12 4.370 4.879 -0.509 1
1 73 . 20 1 1 A 12 12 SER CA C 12 58.716 57.373 1.343 1
1 74 . 20 1 1 A 12 12 SER CB C 12 63.835 65.363 -1.528 1
1 75 . 20 1 1 A 12 12 SER N N 12 116.252 112.291 3.961 1
1 76 . 20 1 1 A 13 13 SER HA H 13 4.481 4.158 0.323 1
1 79 . 20 1 1 A 13 13 SER C C 13 175.161 173.077 2.084 1
1 80 . 20 1 1 A 13 13 SER CA C 13 58.442 59.285 -0.843 1
1 81 . 20 1 1 A 13 13 SER CB C 13 63.798 61.936 1.862 1
1 82 . 20 1 1 A 14 14 LYS H H 14 8.372 7.850 0.522 1
1 83 . 20 1 1 A 14 14 LYS HA H 14 4.226 4.878 -0.652 1
1 92 . 20 1 1 A 14 14 LYS C C 14 177.249 175.228 2.021 1
1 93 . 20 1 1 A 14 14 LYS CA C 14 57.303 55.825 1.478 1
1 94 . 20 1 1 A 14 14 LYS CB C 14 32.694 35.967 -3.273 1
1 98 . 20 1 1 A 14 14 LYS N N 14 123.245 125.250 -2.005 1
1 99 . 20 1 1 A 15 15 GLY H H 15 8.213 8.459 -0.246 1
1 100 . 20 1 1 A 15 15 GLY HA2 H 15 3.924 4.246 -0.322 1
1 101 . 20 1 1 A 15 15 GLY HA3 H 15 3.924 4.247 -0.323 1
1 102 . 20 1 1 A 15 15 GLY C C 15 173.863 173.935 -0.072 1
1 103 . 20 1 1 A 15 15 GLY CA C 15 45.599 45.776 -0.177 1
1 104 . 20 1 1 A 15 15 GLY N N 15 107.368 110.509 -3.141 1
1 105 . 20 1 1 A 16 16 ASP H H 16 8.091 8.794 -0.703 1
1 106 . 20 1 1 A 16 16 ASP HA H 16 4.711 4.342 0.369 1
1 109 . 20 1 1 A 16 16 ASP C C 16 176.074 176.102 -0.028 1
1 110 . 20 1 1 A 16 16 ASP CA C 16 54.167 56.969 -2.802 1
1 111 . 20 1 1 A 16 16 ASP CB C 16 41.155 41.548 -0.393 1
1 112 . 20 1 1 A 16 16 ASP N N 16 119.368 121.982 -2.614 1
1 113 . 20 1 1 A 17 17 LEU H H 17 7.757 7.899 -0.142 1
1 114 . 20 1 1 A 17 17 LEU HA H 17 4.641 4.441 0.200 1
1 124 . 20 1 1 A 17 17 LEU C C 17 174.627 175.886 -1.259 1
1 125 . 20 1 1 A 17 17 LEU CA C 17 53.286 56.805 -3.519 1
1 126 . 20 1 1 A 17 17 LEU CB C 17 41.003 41.043 -0.040 1
1 130 . 20 1 1 A 17 17 LEU N N 17 122.770 118.802 3.968 1
1 131 . 20 1 1 A 18 18 PRO HA H 18 4.619 4.794 -0.175 1
1 138 . 20 1 1 A 18 18 PRO C C 18 175.014 175.903 -0.889 1
1 139 . 20 1 1 A 18 18 PRO CA C 18 62.756 62.690 0.066 1
1 140 . 20 1 1 A 18 18 PRO CB C 18 32.631 32.327 0.304 1
1 143 . 20 1 1 A 19 19 GLN H H 19 8.295 8.610 -0.315 1
1 144 . 20 1 1 A 19 19 GLN HA H 19 5.396 5.039 0.357 1
1 151 . 20 1 1 A 19 19 GLN C C 19 176.012 174.920 1.092 1
1 152 . 20 1 1 A 19 19 GLN CA C 19 54.094 54.123 -0.029 1
1 153 . 20 1 1 A 19 19 GLN CB C 19 32.478 31.979 0.499 1
1 155 . 20 1 1 A 19 19 GLN N N 19 117.612 122.712 -5.100 1
1 157 . 20 1 1 A 20 20 VAL H H 20 9.005 8.437 0.568 1
1 158 . 20 1 1 A 20 20 VAL HA H 20 5.133 4.764 0.369 1
1 166 . 20 1 1 A 20 20 VAL C C 20 173.875 173.939 -0.064 1
1 167 . 20 1 1 A 20 20 VAL CA C 20 57.486 59.428 -1.942 1
1 168 . 20 1 1 A 20 20 VAL CB C 20 35.076 34.507 0.569 1
1 171 . 20 1 1 A 20 20 VAL N N 20 112.092 118.028 -5.936 1
1 172 . 20 1 1 A 21 21 GLU H H 21 8.901 8.220 0.681 1
1 173 . 20 1 1 A 21 21 GLU HA H 21 5.199 4.840 0.359 1
1 178 . 20 1 1 A 21 21 GLU C C 21 175.780 175.794 -0.014 1
1 179 . 20 1 1 A 21 21 GLU CA C 21 53.268 55.319 -2.051 1
1 180 . 20 1 1 A 21 21 GLU CB C 21 32.997 31.302 1.695 1
1 182 . 20 1 1 A 21 21 GLU N N 21 119.970 124.025 -4.055 1
1 183 . 20 1 1 A 22 22 ILE H H 22 8.656 9.736 -1.080 1
1 184 . 20 1 1 A 22 22 ILE HA H 22 4.742 4.271 0.471 1
1 194 . 20 1 1 A 22 22 ILE C C 22 179.107 177.656 1.451 1
1 195 . 20 1 1 A 22 22 ILE CA C 22 58.064 62.148 -4.084 1
1 196 . 20 1 1 A 22 22 ILE CB C 22 34.481 37.599 -3.118 1
1 200 . 20 1 1 A 22 22 ILE N N 22 125.654 127.930 -2.276 1
1 201 . 20 1 1 A 23 23 THR H H 23 9.206 8.600 0.606 1
1 202 . 20 1 1 A 23 23 THR HA H 23 4.230 4.351 -0.121 1
1 207 . 20 1 1 A 23 23 THR C C 23 174.481 174.456 0.025 1
1 208 . 20 1 1 A 23 23 THR CA C 23 62.787 62.992 -0.205 1
1 209 . 20 1 1 A 23 23 THR CB C 23 68.779 69.198 -0.419 1
1 211 . 20 1 1 A 23 23 THR N N 23 122.259 119.674 2.585 1
1 212 . 20 1 1 A 24 24 LYS H H 24 7.443 7.699 -0.256 1
1 213 . 20 1 1 A 24 24 LYS HA H 24 4.332 4.868 -0.536 1
1 222 . 20 1 1 A 24 24 LYS C C 24 172.169 175.388 -3.219 1
1 223 . 20 1 1 A 24 24 LYS CA C 24 55.154 54.748 0.406 1
1 224 . 20 1 1 A 24 24 LYS CB C 24 35.137 35.582 -0.445 1
1 228 . 20 1 1 A 24 24 LYS N N 24 121.874 118.145 3.729 1
1 229 . 20 1 1 A 25 25 ALA H H 25 8.259 8.665 -0.406 1
1 230 . 20 1 1 A 25 25 ALA HA H 25 3.914 4.401 -0.487 1
1 234 . 20 1 1 A 25 25 ALA C C 25 176.411 176.791 -0.380 1
1 235 . 20 1 1 A 25 25 ALA CA C 25 53.409 52.804 0.605 1
1 236 . 20 1 1 A 25 25 ALA CB C 25 19.113 19.052 0.061 1
1 237 . 20 1 1 A 25 25 ALA N N 25 121.708 125.148 -3.440 1
1 238 . 20 1 1 A 26 26 PHE H H 26 8.058 8.463 -0.405 1
1 239 . 20 1 1 A 26 26 PHE HA H 26 4.742 5.164 -0.422 1
1 247 . 20 1 1 A 26 26 PHE C C 26 172.769 174.261 -1.492 1
1 248 . 20 1 1 A 26 26 PHE CA C 26 56.354 55.631 0.723 1
1 249 . 20 1 1 A 26 26 PHE CB C 26 42.608 40.270 2.338 1
1 255 . 20 1 1 A 26 26 PHE N N 26 121.151 124.045 -2.894 1
1 256 . 20 1 1 A 27 27 PHE H H 27 7.752 8.703 -0.951 1
1 257 . 20 1 1 A 27 27 PHE HA H 27 4.469 4.326 0.143 1
1 265 . 20 1 1 A 27 27 PHE C C 27 173.594 175.295 -1.701 1
1 266 . 20 1 1 A 27 27 PHE CA C 27 56.088 58.605 -2.517 1
1 267 . 20 1 1 A 27 27 PHE CB C 27 39.425 38.847 0.578 1
1 273 . 20 1 1 A 27 27 PHE N N 27 125.818 126.182 -0.364 1
1 274 . 20 1 1 A 28 28 ALA H H 28 8.045 7.943 0.102 1
1 275 . 20 1 1 A 28 28 ALA HA H 28 4.002 3.833 0.169 1
1 279 . 20 1 1 A 28 28 ALA C C 28 178.303 178.415 -0.112 1
1 280 . 20 1 1 A 28 28 ALA CA C 28 52.898 52.884 0.014 1
1 281 . 20 1 1 A 28 28 ALA CB C 28 20.853 19.088 1.765 1
1 282 . 20 1 1 A 28 28 ALA N N 28 126.105 127.319 -1.214 1
1 283 . 20 1 1 A 29 29 LYS H H 29 9.282 9.413 -0.131 1
1 284 . 20 1 1 A 29 29 LYS HA H 29 4.524 4.584 -0.060 1
1 293 . 20 1 1 A 29 29 LYS C C 29 176.347 176.401 -0.054 1
1 294 . 20 1 1 A 29 29 LYS CA C 29 56.187 56.837 -0.650 1
1 295 . 20 1 1 A 29 29 LYS CB C 29 34.585 34.242 0.343 1
1 299 . 20 1 1 A 29 29 LYS N N 29 120.760 119.492 1.268 1
1 300 . 20 1 1 A 30 30 GLN H H 30 7.738 7.590 0.148 1
1 301 . 20 1 1 A 30 30 GLN HA H 30 4.657 4.624 0.033 1
1 308 . 20 1 1 A 30 30 GLN C C 30 177.059 176.326 0.733 1
1 309 . 20 1 1 A 30 30 GLN CA C 30 53.885 54.480 -0.595 1
1 310 . 20 1 1 A 30 30 GLN CB C 30 31.349 30.675 0.674 1
1 312 . 20 1 1 A 30 30 GLN N N 30 116.957 119.083 -2.126 1
1 314 . 20 1 1 A 31 31 ALA H H 31 8.719 8.335 0.384 1
1 315 . 20 1 1 A 31 31 ALA HA H 31 4.189 4.332 -0.143 1
1 319 . 20 1 1 A 31 31 ALA C C 31 177.686 177.923 -0.237 1
1 320 . 20 1 1 A 31 31 ALA CA C 31 54.960 52.850 2.110 1
1 321 . 20 1 1 A 31 31 ALA CB C 31 18.859 19.657 -0.798 1
1 322 . 20 1 1 A 31 31 ALA N N 31 122.985 123.606 -0.621 1
1 323 . 20 1 1 A 32 32 ASP H H 32 8.436 8.386 0.050 1
1 324 . 20 1 1 A 32 32 ASP HA H 32 4.904 4.790 0.114 1
1 327 . 20 1 1 A 32 32 ASP C C 32 176.845 176.217 0.628 1
1 328 . 20 1 1 A 32 32 ASP CA C 32 54.044 53.797 0.247 1
1 329 . 20 1 1 A 32 32 ASP CB C 32 40.166 40.809 -0.643 1
1 330 . 20 1 1 A 32 32 ASP N N 32 113.224 116.215 -2.991 1
1 331 . 20 1 1 A 33 33 GLU H H 33 7.632 8.006 -0.374 1
1 332 . 20 1 1 A 33 33 GLU HA H 33 5.578 5.034 0.544 1
1 337 . 20 1 1 A 33 33 GLU C C 33 175.518 175.421 0.097 1
1 338 . 20 1 1 A 33 33 GLU CA C 33 55.437 55.473 -0.036 1
1 339 . 20 1 1 A 33 33 GLU CB C 33 33.079 31.522 1.557 1
1 341 . 20 1 1 A 33 33 GLU N N 33 119.902 120.533 -0.631 1
1 342 . 20 1 1 A 34 34 VAL H H 34 8.311 9.130 -0.819 1
1 343 . 20 1 1 A 34 34 VAL HA H 34 4.791 4.859 -0.068 1
1 351 . 20 1 1 A 34 34 VAL C C 34 171.861 174.395 -2.534 1
1 352 . 20 1 1 A 34 34 VAL CA C 34 58.152 60.199 -2.047 1
1 353 . 20 1 1 A 34 34 VAL CB C 34 35.881 35.882 -0.001 1
1 356 . 20 1 1 A 34 34 VAL N N 34 119.872 120.676 -0.804 1
1 357 . 20 1 1 A 35 35 THR H H 35 8.047 8.678 -0.631 1
1 358 . 20 1 1 A 35 35 THR HA H 35 4.559 4.765 -0.206 1
1 363 . 20 1 1 A 35 35 THR C C 35 174.643 174.202 0.441 1
1 364 . 20 1 1 A 35 35 THR CA C 35 62.859 62.716 0.143 1
1 365 . 20 1 1 A 35 35 THR CB C 35 69.626 69.221 0.405 1
1 367 . 20 1 1 A 35 35 THR N N 35 123.767 122.475 1.292 1
1 368 . 20 1 1 A 36 36 LEU H H 36 9.001 8.502 0.499 1
1 369 . 20 1 1 A 36 36 LEU HA H 36 4.571 5.005 -0.434 1
1 379 . 20 1 1 A 36 36 LEU C C 36 176.087 175.784 0.303 1
1 380 . 20 1 1 A 36 36 LEU CA C 36 53.374 53.628 -0.254 1
1 381 . 20 1 1 A 36 36 LEU CB C 36 47.954 46.468 1.486 1
1 385 . 20 1 1 A 36 36 LEU N N 36 127.439 125.911 1.528 1
1 386 . 20 1 1 A 37 37 GLN H H 37 8.889 8.704 0.185 1
1 387 . 20 1 1 A 37 37 GLN HA H 37 4.298 4.781 -0.483 1
1 394 . 20 1 1 A 37 37 GLN C C 37 175.508 174.877 0.631 1
1 395 . 20 1 1 A 37 37 GLN CA C 37 53.621 53.780 -0.159 1
1 396 . 20 1 1 A 37 37 GLN CB C 37 30.567 32.152 -1.585 1
1 398 . 20 1 1 A 37 37 GLN N N 37 121.687 120.127 1.560 1
1 400 . 20 1 1 A 38 38 GLN H H 38 8.517 8.527 -0.010 1
1 401 . 20 1 1 A 38 38 GLN HA H 38 3.378 3.978 -0.600 1
1 408 . 20 1 1 A 38 38 GLN C C 38 176.738 176.379 0.359 1
1 409 . 20 1 1 A 38 38 GLN CA C 38 58.584 57.026 1.558 1
1 410 . 20 1 1 A 38 38 GLN CB C 38 28.151 28.652 -0.501 1
1 412 . 20 1 1 A 38 38 GLN N N 38 120.664 122.047 -1.383 1
1 414 . 20 1 1 A 39 39 ALA H H 39 9.200 9.595 -0.395 1
1 415 . 20 1 1 A 39 39 ALA HA H 39 3.948 3.856 0.092 1
1 419 . 20 1 1 A 39 39 ALA C C 39 177.251 175.729 1.522 1
1 420 . 20 1 1 A 39 39 ALA CA C 39 54.731 53.120 1.611 1
1 421 . 20 1 1 A 39 39 ALA CB C 39 17.134 17.334 -0.200 1
1 422 . 20 1 1 A 39 39 ALA N N 39 123.253 123.643 -0.390 1
1 423 . 20 1 1 A 40 40 ASP H H 40 8.025 7.288 0.737 1
1 424 . 20 1 1 A 40 40 ASP HA H 40 4.498 5.083 -0.585 1
1 427 . 20 1 1 A 40 40 ASP C C 40 175.010 175.339 -0.329 1
1 428 . 20 1 1 A 40 40 ASP CA C 40 56.407 52.951 3.456 1
1 429 . 20 1 1 A 40 40 ASP CB C 40 41.713 43.065 -1.352 1
1 430 . 20 1 1 A 40 40 ASP N N 40 121.075 116.382 4.693 1
1 431 . 20 1 1 A 41 41 VAL H H 41 7.518 8.821 -1.303 1
1 432 . 20 1 1 A 41 41 VAL HA H 41 5.060 4.557 0.503 1
1 440 . 20 1 1 A 41 41 VAL C C 41 176.546 174.942 1.604 1
1 441 . 20 1 1 A 41 41 VAL CA C 41 61.818 61.743 0.075 1
1 442 . 20 1 1 A 41 41 VAL CB C 41 32.997 32.784 0.213 1
1 445 . 20 1 1 A 41 41 VAL N N 41 119.767 123.923 -4.156 1
1 446 . 20 1 1 A 42 42 VAL H H 42 9.086 8.337 0.749 1
1 447 . 20 1 1 A 42 42 VAL HA H 42 4.528 4.504 0.024 1
1 455 . 20 1 1 A 42 42 VAL C C 42 173.762 174.556 -0.794 1
1 456 . 20 1 1 A 42 42 VAL CA C 42 60.363 60.353 0.010 1
1 457 . 20 1 1 A 42 42 VAL CB C 42 35.736 35.888 -0.152 1
1 460 . 20 1 1 A 42 42 VAL N N 42 129.212 127.437 1.775 1
1 461 . 20 1 1 A 43 43 LEU H H 43 8.855 8.577 0.278 1
1 462 . 20 1 1 A 43 43 LEU HA H 43 4.651 4.724 -0.073 1
1 472 . 20 1 1 A 43 43 LEU C C 43 175.853 175.571 0.282 1
1 473 . 20 1 1 A 43 43 LEU CA C 43 54.132 54.077 0.055 1
1 474 . 20 1 1 A 43 43 LEU CB C 43 44.039 43.163 0.876 1
1 478 . 20 1 1 A 43 43 LEU N N 43 128.624 129.779 -1.155 1
1 479 . 20 1 1 A 44 44 VAL H H 44 8.835 8.787 0.048 1
1 480 . 20 1 1 A 44 44 VAL HA H 44 3.837 4.446 -0.609 1
1 488 . 20 1 1 A 44 44 VAL C C 44 174.445 175.710 -1.265 1
1 489 . 20 1 1 A 44 44 VAL CA C 44 64.603 63.684 0.919 1
1 490 . 20 1 1 A 44 44 VAL CB C 44 32.325 32.168 0.157 1
1 493 . 20 1 1 A 44 44 VAL N N 44 126.525 128.037 -1.512 1
1 494 . 20 1 1 A 45 45 LEU H H 45 9.166 10.129 -0.963 1
1 495 . 20 1 1 A 45 45 LEU HA H 45 4.488 4.542 -0.054 1
1 505 . 20 1 1 A 45 45 LEU C C 45 177.820 176.554 1.266 1
1 506 . 20 1 1 A 45 45 LEU CA C 45 56.137 55.665 0.472 1
1 507 . 20 1 1 A 45 45 LEU CB C 45 43.957 43.442 0.515 1
1 511 . 20 1 1 A 45 45 LEU N N 45 127.543 126.870 0.673 1
1 512 . 20 1 1 A 46 46 GLN H H 46 8.074 7.500 0.574 1
1 513 . 20 1 1 A 46 46 GLN HA H 46 4.643 4.795 -0.152 1
1 520 . 20 1 1 A 46 46 GLN C C 46 173.225 174.191 -0.966 1
1 521 . 20 1 1 A 46 46 GLN CA C 46 55.277 54.889 0.388 1
1 522 . 20 1 1 A 46 46 GLN CB C 46 33.285 31.800 1.485 1
1 524 . 20 1 1 A 46 46 GLN N N 46 115.961 116.780 -0.819 1
1 526 . 20 1 1 A 47 47 GLN H H 47 8.683 8.982 -0.299 1
1 527 . 20 1 1 A 47 47 GLN HA H 47 5.194 4.859 0.335 1
1 534 . 20 1 1 A 47 47 GLN C C 47 174.366 174.374 -0.008 1
1 535 . 20 1 1 A 47 47 GLN CA C 47 55.243 55.055 0.188 1
1 536 . 20 1 1 A 47 47 GLN CB C 47 31.473 29.553 1.920 1
1 538 . 20 1 1 A 47 47 GLN N N 47 121.742 124.406 -2.664 1
1 540 . 20 1 1 A 48 48 GLU H H 48 9.201 9.172 0.029 1
1 541 . 20 1 1 A 48 48 GLU HA H 48 4.669 5.053 -0.384 1
1 546 . 20 1 1 A 48 48 GLU C C 48 175.622 175.175 0.447 1
1 547 . 20 1 1 A 48 48 GLU CA C 48 56.134 54.806 1.328 1
1 548 . 20 1 1 A 48 48 GLU CB C 48 33.098 32.380 0.718 1
1 550 . 20 1 1 A 48 48 GLU N N 48 124.529 124.820 -0.291 1
1 551 . 20 1 1 A 49 49 ASP H H 49 9.177 8.830 0.347 1
1 552 . 20 1 1 A 49 49 ASP HA H 49 4.424 4.327 0.097 1
1 555 . 20 1 1 A 49 49 ASP C C 49 175.771 176.944 -1.173 1
1 556 . 20 1 1 A 49 49 ASP CA C 49 56.001 56.123 -0.122 1
1 557 . 20 1 1 A 49 49 ASP CB C 49 40.478 40.578 -0.100 1
1 558 . 20 1 1 A 49 49 ASP N N 49 125.649 127.502 -1.853 1
1 559 . 20 1 1 A 50 50 GLY H H 50 8.750 8.745 0.005 1
1 560 . 20 1 1 A 50 50 GLY HA2 H 50 4.266 4.039 0.227 1
1 561 . 20 1 1 A 50 50 GLY HA3 H 50 3.753 4.131 -0.378 1
1 562 . 20 1 1 A 50 50 GLY C C 50 174.455 173.803 0.652 1
1 563 . 20 1 1 A 50 50 GLY CA C 50 45.969 45.431 0.538 1
1 564 . 20 1 1 A 50 50 GLY N N 50 108.057 112.739 -4.682 1
1 565 . 20 1 1 A 51 51 TRP H H 51 8.427 8.587 -0.160 1
1 566 . 20 1 1 A 51 51 TRP HA H 51 4.877 5.354 -0.477 1
1 575 . 20 1 1 A 51 51 TRP C C 51 173.525 175.440 -1.915 1
1 576 . 20 1 1 A 51 51 TRP CA C 51 57.270 55.562 1.708 1
1 577 . 20 1 1 A 51 51 TRP CB C 51 32.690 34.031 -1.341 1
1 583 . 20 1 1 A 51 51 TRP N N 51 122.784 121.171 1.613 1
1 585 . 20 1 1 A 52 52 LEU H H 52 9.368 8.977 0.391 1
1 586 . 20 1 1 A 52 52 LEU HA H 52 4.987 5.070 -0.083 1
1 596 . 20 1 1 A 52 52 LEU C C 52 173.005 174.148 -1.143 1
1 597 . 20 1 1 A 52 52 LEU CA C 52 52.634 53.047 -0.413 1
1 598 . 20 1 1 A 52 52 LEU CB C 52 43.833 43.767 0.066 1
1 602 . 20 1 1 A 52 52 LEU N N 52 121.750 121.795 -0.045 1
1 603 . 20 1 1 A 53 53 TYR H H 53 8.267 9.306 -1.039 1
1 604 . 20 1 1 A 53 53 TYR HA H 53 4.513 4.692 -0.179 1
1 611 . 20 1 1 A 53 53 TYR C C 53 176.111 174.609 1.502 1
1 612 . 20 1 1 A 53 53 TYR CA C 53 55.283 55.920 -0.637 1
1 613 . 20 1 1 A 53 53 TYR CB C 53 39.251 40.286 -1.035 1
1 618 . 20 1 1 A 53 53 TYR N N 53 122.457 125.588 -3.131 1
1 619 . 20 1 1 A 54 54 GLY H H 54 8.238 7.758 0.480 1
1 620 . 20 1 1 A 54 54 GLY HA2 H 54 4.706 4.124 0.582 1
1 621 . 20 1 1 A 54 54 GLY HA3 H 54 3.802 4.383 -0.581 1
1 622 . 20 1 1 A 54 54 GLY C C 54 168.928 171.421 -2.493 1
1 623 . 20 1 1 A 54 54 GLY CA C 54 45.792 45.725 0.067 1
1 624 . 20 1 1 A 54 54 GLY N N 54 112.598 111.612 0.986 1
1 625 . 20 1 1 A 55 55 GLU H H 55 8.400 9.276 -0.876 1
1 626 . 20 1 1 A 55 55 GLU HA H 55 4.718 5.124 -0.406 1
1 631 . 20 1 1 A 55 55 GLU C C 55 175.540 175.387 0.153 1
1 632 . 20 1 1 A 55 55 GLU CA C 55 53.268 54.688 -1.420 1
1 633 . 20 1 1 A 55 55 GLU CB C 55 34.264 32.597 1.667 1
1 635 . 20 1 1 A 55 55 GLU N N 55 118.345 120.600 -2.255 1
1 636 . 20 1 1 A 56 56 ARG H H 56 9.654 9.142 0.512 1
1 637 . 20 1 1 A 56 56 ARG HA H 56 4.309 4.218 0.091 1
1 645 . 20 1 1 A 56 56 ARG C C 56 176.838 177.266 -0.428 1
1 646 . 20 1 1 A 56 56 ARG CA C 56 57.492 57.113 0.379 1
1 647 . 20 1 1 A 56 56 ARG CB C 56 30.854 30.969 -0.115 1
1 650 . 20 1 1 A 56 56 ARG N N 56 129.571 128.665 0.906 1
1 652 . 20 1 1 A 57 57 LEU H H 57 8.195 8.262 -0.067 1
1 653 . 20 1 1 A 57 57 LEU HA H 57 4.021 4.144 -0.123 1
1 663 . 20 1 1 A 57 57 LEU C C 57 179.671 178.580 1.091 1
1 664 . 20 1 1 A 57 57 LEU CA C 57 58.338 57.517 0.821 1
1 665 . 20 1 1 A 57 57 LEU CB C 57 41.939 41.224 0.715 1
1 669 . 20 1 1 A 57 57 LEU N N 57 129.973 127.177 2.796 1
1 670 . 20 1 1 A 58 58 ARG H H 58 8.494 7.941 0.553 1
1 671 . 20 1 1 A 58 58 ARG HA H 58 4.112 3.937 0.175 1
1 678 . 20 1 1 A 58 58 ARG C C 58 176.402 177.686 -1.284 1
1 679 . 20 1 1 A 58 58 ARG CA C 58 59.139 59.654 -0.515 1
1 680 . 20 1 1 A 58 58 ARG CB C 58 30.106 30.176 -0.070 1
1 683 . 20 1 1 A 58 58 ARG N N 58 115.005 120.790 -5.785 1
1 684 . 20 1 1 A 59 59 ASP H H 59 7.392 8.181 -0.789 1
1 685 . 20 1 1 A 59 59 ASP HA H 59 4.803 4.762 0.041 1
1 688 . 20 1 1 A 59 59 ASP C C 59 176.801 176.931 -0.130 1
1 689 . 20 1 1 A 59 59 ASP CA C 59 52.827 53.642 -0.815 1
1 690 . 20 1 1 A 59 59 ASP CB C 59 42.144 42.331 -0.187 1
1 691 . 20 1 1 A 59 59 ASP N N 59 113.739 116.035 -2.296 1
1 692 . 20 1 1 A 60 60 GLY H H 60 8.435 8.596 -0.161 1
1 693 . 20 1 1 A 60 60 GLY HA2 H 60 4.125 3.926 0.199 1
1 694 . 20 1 1 A 60 60 GLY HA3 H 60 3.868 3.934 -0.066 1
1 695 . 20 1 1 A 60 60 GLY C C 60 174.707 174.845 -0.138 1
1 696 . 20 1 1 A 60 60 GLY CA C 60 45.917 45.523 0.394 1
1 697 . 20 1 1 A 60 60 GLY N N 60 110.642 106.979 3.663 1
1 698 . 20 1 1 A 61 61 GLU H H 61 7.527 7.808 -0.281 1
1 699 . 20 1 1 A 61 61 GLU HA H 61 4.163 4.322 -0.159 1
1 704 . 20 1 1 A 61 61 GLU C C 61 176.225 175.388 0.837 1
1 705 . 20 1 1 A 61 61 GLU CA C 61 58.222 57.235 0.987 1
1 706 . 20 1 1 A 61 61 GLU CB C 61 29.825 30.576 -0.751 1
1 708 . 20 1 1 A 61 61 GLU N N 61 123.061 119.939 3.122 1
1 709 . 20 1 1 A 62 62 THR H H 62 8.451 8.673 -0.222 1
1 710 . 20 1 1 A 62 62 THR HA H 62 5.666 5.098 0.568 1
1 715 . 20 1 1 A 62 62 THR C C 62 174.469 173.933 0.536 1
1 716 . 20 1 1 A 62 62 THR CA C 62 59.826 60.451 -0.625 1
1 717 . 20 1 1 A 62 62 THR CB C 62 72.751 69.610 3.141 1
1 719 . 20 1 1 A 62 62 THR N N 62 117.411 118.476 -1.065 1
1 720 . 20 1 1 A 63 63 GLY H H 63 7.931 8.239 -0.308 1
1 721 . 20 1 1 A 63 63 GLY HA2 H 63 4.124 4.456 -0.332 1
1 722 . 20 1 1 A 63 63 GLY HA3 H 63 3.936 4.545 -0.609 1
1 723 . 20 1 1 A 63 63 GLY C C 63 170.896 171.822 -0.926 1
1 724 . 20 1 1 A 63 63 GLY CA C 63 45.652 45.424 0.228 1
1 725 . 20 1 1 A 63 63 GLY N N 63 108.439 112.347 -3.908 1
1 726 . 20 1 1 A 64 64 TRP H H 64 9.071 9.156 -0.085 1
1 727 . 20 1 1 A 64 64 TRP HA H 64 6.061 5.606 0.455 1
1 736 . 20 1 1 A 64 64 TRP C C 64 177.395 176.542 0.853 1
1 737 . 20 1 1 A 64 64 TRP CA C 64 57.259 56.456 0.803 1
1 738 . 20 1 1 A 64 64 TRP CB C 64 31.882 30.741 1.141 1
1 744 . 20 1 1 A 64 64 TRP N N 64 119.762 120.361 -0.599 1
1 746 . 20 1 1 A 65 65 PHE H H 65 9.657 9.636 0.021 1
1 747 . 20 1 1 A 65 65 PHE HA H 65 4.823 5.396 -0.573 1
1 755 . 20 1 1 A 65 65 PHE C C 65 170.814 173.439 -2.625 1
1 756 . 20 1 1 A 65 65 PHE CA C 65 55.578 54.978 0.600 1
1 757 . 20 1 1 A 65 65 PHE CB C 65 38.245 42.270 -4.025 1
1 763 . 20 1 1 A 65 65 PHE N N 65 116.076 120.854 -4.778 1
1 764 . 20 1 1 A 66 66 PRO HA H 66 3.546 4.273 -0.727 1
1 771 . 20 1 1 A 66 66 PRO C C 66 177.963 177.554 0.409 1
1 772 . 20 1 1 A 66 66 PRO CA C 66 62.065 62.145 -0.080 1
1 773 . 20 1 1 A 66 66 PRO CB C 66 31.116 31.974 -0.858 1
1 776 . 20 1 1 A 67 67 GLU H H 67 8.081 8.613 -0.532 1
1 777 . 20 1 1 A 67 67 GLU HA H 67 3.651 4.106 -0.455 1
1 782 . 20 1 1 A 67 67 GLU C C 67 177.298 178.794 -1.496 1
1 783 . 20 1 1 A 67 67 GLU CA C 67 58.746 59.119 -0.373 1
1 784 . 20 1 1 A 67 67 GLU CB C 67 29.820 29.078 0.742 1
1 786 . 20 1 1 A 67 67 GLU N N 67 121.549 122.127 -0.578 1
1 787 . 20 1 1 A 68 68 ASP H H 68 8.456 8.126 0.330 1
1 788 . 20 1 1 A 68 68 ASP HA H 68 4.539 4.397 0.142 1
1 791 . 20 1 1 A 68 68 ASP C C 68 176.157 177.489 -1.332 1
1 792 . 20 1 1 A 68 68 ASP CA C 68 55.225 56.362 -1.137 1
1 793 . 20 1 1 A 68 68 ASP CB C 68 39.633 40.893 -1.260 1
1 794 . 20 1 1 A 68 68 ASP N N 68 113.915 120.876 -6.961 1
1 795 . 20 1 1 A 69 69 PHE H H 69 7.661 7.940 -0.279 1
1 796 . 20 1 1 A 69 69 PHE HA H 69 4.386 4.664 -0.278 1
1 803 . 20 1 1 A 69 69 PHE C C 69 173.252 175.018 -1.766 1
1 804 . 20 1 1 A 69 69 PHE CA C 69 57.758 57.329 0.429 1
1 805 . 20 1 1 A 69 69 PHE CB C 69 37.019 39.168 -2.149 1
1 810 . 20 1 1 A 69 69 PHE N N 69 119.727 116.926 2.801 1
1 811 . 20 1 1 A 70 70 ALA H H 70 7.809 8.851 -1.042 1
1 812 . 20 1 1 A 70 70 ALA HA H 70 5.256 4.765 0.491 1
1 816 . 20 1 1 A 70 70 ALA C C 70 175.703 175.108 0.595 1
1 817 . 20 1 1 A 70 70 ALA CA C 70 50.800 51.267 -0.467 1
1 818 . 20 1 1 A 70 70 ALA CB C 70 24.061 23.652 0.409 1
1 819 . 20 1 1 A 70 70 ALA N N 70 121.782 121.146 0.636 1
1 820 . 20 1 1 A 71 71 ARG H H 71 8.792 8.413 0.379 1
1 821 . 20 1 1 A 71 71 ARG HA H 71 4.828 5.081 -0.253 1
1 828 . 20 1 1 A 71 71 ARG C C 71 175.613 175.693 -0.080 1
1 829 . 20 1 1 A 71 71 ARG CA C 71 54.220 54.228 -0.008 1
1 830 . 20 1 1 A 71 71 ARG CB C 71 33.286 32.737 0.549 1
1 833 . 20 1 1 A 71 71 ARG N N 71 119.543 118.205 1.338 1
1 834 . 20 1 1 A 72 72 PHE H H 72 9.194 8.944 0.250 1
1 835 . 20 1 1 A 72 72 PHE HA H 72 4.604 4.399 0.205 1
1 843 . 20 1 1 A 72 72 PHE C C 72 176.818 175.987 0.831 1
1 844 . 20 1 1 A 72 72 PHE CA C 72 59.896 59.152 0.744 1
1 845 . 20 1 1 A 72 72 PHE CB C 72 39.079 38.907 0.172 1
1 851 . 20 1 1 A 72 72 PHE N N 72 125.006 123.935 1.071 1
1 852 . 20 1 1 A 73 73 ILE H H 73 8.574 8.446 0.128 1
1 853 . 20 1 1 A 73 73 ILE HA H 73 4.390 3.937 0.453 1
1 863 . 20 1 1 A 73 73 ILE C C 73 176.086 176.916 -0.830 1
1 864 . 20 1 1 A 73 73 ILE CA C 73 61.450 64.090 -2.640 1
1 865 . 20 1 1 A 73 73 ILE CB C 73 39.508 38.145 1.363 1
1 869 . 20 1 1 A 73 73 ILE N N 73 120.816 127.738 -6.922 1
1 870 . 20 1 1 A 74 74 SER H H 74 8.329 7.877 0.452 1
1 871 . 20 1 1 A 74 74 SER HA H 74 4.626 5.071 -0.445 1
1 874 . 20 1 1 A 74 74 SER C C 74 174.223 173.882 0.341 1
1 875 . 20 1 1 A 74 74 SER CA C 74 58.169 57.357 0.812 1
1 876 . 20 1 1 A 74 74 SER CB C 74 64.370 65.252 -0.882 1
1 877 . 20 1 1 A 74 74 SER N N 74 118.251 113.970 4.281 1
1 878 . 20 1 1 A 75 75 GLY H H 75 8.372 8.719 -0.347 1
1 879 . 20 1 1 A 75 75 GLY HA2 H 75 4.149 4.055 0.094 1
1 880 . 20 1 1 A 75 75 GLY HA3 H 75 4.149 4.111 0.038 1
1 881 . 20 1 1 A 75 75 GLY C C 75 171.907 173.058 -1.151 1
1 882 . 20 1 1 A 75 75 GLY CA C 75 44.682 45.878 -1.196 1
1 883 . 20 1 1 A 75 75 GLY N N 75 109.951 112.929 -2.978 1
1 884 . 20 1 1 A 76 76 PRO HA H 76 4.456 4.587 -0.131 1
1 891 . 20 1 1 A 76 76 PRO CA C 76 63.394 62.450 0.944 1
1 892 . 20 1 1 A 76 76 PRO CB C 76 32.180 32.960 -0.780 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 68 1.223 1
2 1 1 1 "RMS(OBS, PRED)" CA 71 1.252 1
3 1 1 1 "RMS(OBS, PRED)" CB 63 1.425 1
4 1 1 1 "RMS(OBS, PRED)" H 66 0.469 1
5 1 1 1 "RMS(OBS, PRED)" HA 79 0.372 1
6 1 1 1 "RMS(OBS, PRED)" N 66 2.878 1
7 1 2 1 "RMS(OBS, PRED)" C 68 1.165 1
8 1 2 1 "RMS(OBS, PRED)" CA 71 1.273 1
9 1 2 1 "RMS(OBS, PRED)" CB 63 1.255 1
10 1 2 1 "RMS(OBS, PRED)" H 66 0.505 1
11 1 2 1 "RMS(OBS, PRED)" HA 79 0.355 1
12 1 2 1 "RMS(OBS, PRED)" N 66 3.115 1
13 1 3 1 "RMS(OBS, PRED)" C 68 1.113 1
14 1 3 1 "RMS(OBS, PRED)" CA 71 1.183 1
15 1 3 1 "RMS(OBS, PRED)" CB 63 1.339 1
16 1 3 1 "RMS(OBS, PRED)" H 66 0.568 1
17 1 3 1 "RMS(OBS, PRED)" HA 79 0.346 1
18 1 3 1 "RMS(OBS, PRED)" N 66 3.109 1
19 1 4 1 "RMS(OBS, PRED)" C 68 1.167 1
20 1 4 1 "RMS(OBS, PRED)" CA 71 1.272 1
21 1 4 1 "RMS(OBS, PRED)" CB 63 1.331 1
22 1 4 1 "RMS(OBS, PRED)" H 66 0.538 1
23 1 4 1 "RMS(OBS, PRED)" HA 79 0.328 1
24 1 4 1 "RMS(OBS, PRED)" N 66 3.228 1
25 1 5 1 "RMS(OBS, PRED)" C 68 1.148 1
26 1 5 1 "RMS(OBS, PRED)" CA 71 1.304 1
27 1 5 1 "RMS(OBS, PRED)" CB 63 1.293 1
28 1 5 1 "RMS(OBS, PRED)" H 66 0.515 1
29 1 5 1 "RMS(OBS, PRED)" HA 79 0.340 1
30 1 5 1 "RMS(OBS, PRED)" N 66 3.178 1
31 1 6 1 "RMS(OBS, PRED)" C 68 1.245 1
32 1 6 1 "RMS(OBS, PRED)" CA 71 1.325 1
33 1 6 1 "RMS(OBS, PRED)" CB 63 1.189 1
34 1 6 1 "RMS(OBS, PRED)" H 66 0.534 1
35 1 6 1 "RMS(OBS, PRED)" HA 79 0.353 1
36 1 6 1 "RMS(OBS, PRED)" N 66 3.264 1
37 1 7 1 "RMS(OBS, PRED)" C 68 1.184 1
38 1 7 1 "RMS(OBS, PRED)" CA 71 1.298 1
39 1 7 1 "RMS(OBS, PRED)" CB 63 1.388 1
40 1 7 1 "RMS(OBS, PRED)" H 66 0.508 1
41 1 7 1 "RMS(OBS, PRED)" HA 79 0.368 1
42 1 7 1 "RMS(OBS, PRED)" N 66 3.231 1
43 1 8 1 "RMS(OBS, PRED)" C 68 1.131 1
44 1 8 1 "RMS(OBS, PRED)" CA 71 1.258 1
45 1 8 1 "RMS(OBS, PRED)" CB 63 1.464 1
46 1 8 1 "RMS(OBS, PRED)" H 66 0.521 1
47 1 8 1 "RMS(OBS, PRED)" HA 79 0.366 1
48 1 8 1 "RMS(OBS, PRED)" N 66 3.186 1
49 1 9 1 "RMS(OBS, PRED)" C 68 1.092 1
50 1 9 1 "RMS(OBS, PRED)" CA 71 1.227 1
51 1 9 1 "RMS(OBS, PRED)" CB 63 1.246 1
52 1 9 1 "RMS(OBS, PRED)" H 66 0.515 1
53 1 9 1 "RMS(OBS, PRED)" HA 79 0.320 1
54 1 9 1 "RMS(OBS, PRED)" N 66 3.252 1
55 1 10 1 "RMS(OBS, PRED)" C 68 1.138 1
56 1 10 1 "RMS(OBS, PRED)" CA 71 1.215 1
57 1 10 1 "RMS(OBS, PRED)" CB 63 1.270 1
58 1 10 1 "RMS(OBS, PRED)" H 66 0.492 1
59 1 10 1 "RMS(OBS, PRED)" HA 79 0.343 1
60 1 10 1 "RMS(OBS, PRED)" N 66 2.802 1
61 1 11 1 "RMS(OBS, PRED)" C 68 1.088 1
62 1 11 1 "RMS(OBS, PRED)" CA 71 1.209 1
63 1 11 1 "RMS(OBS, PRED)" CB 63 1.278 1
64 1 11 1 "RMS(OBS, PRED)" H 66 0.500 1
65 1 11 1 "RMS(OBS, PRED)" HA 79 0.337 1
66 1 11 1 "RMS(OBS, PRED)" N 66 2.926 1
67 1 12 1 "RMS(OBS, PRED)" C 68 1.134 1
68 1 12 1 "RMS(OBS, PRED)" CA 71 1.317 1
69 1 12 1 "RMS(OBS, PRED)" CB 63 1.288 1
70 1 12 1 "RMS(OBS, PRED)" H 66 0.527 1
71 1 12 1 "RMS(OBS, PRED)" HA 79 0.335 1
72 1 12 1 "RMS(OBS, PRED)" N 66 3.040 1
73 1 13 1 "RMS(OBS, PRED)" C 68 1.288 1
74 1 13 1 "RMS(OBS, PRED)" CA 71 1.247 1
75 1 13 1 "RMS(OBS, PRED)" CB 63 1.359 1
76 1 13 1 "RMS(OBS, PRED)" H 66 0.518 1
77 1 13 1 "RMS(OBS, PRED)" HA 79 0.351 1
78 1 13 1 "RMS(OBS, PRED)" N 66 3.282 1
79 1 14 1 "RMS(OBS, PRED)" C 68 1.185 1
80 1 14 1 "RMS(OBS, PRED)" CA 71 1.273 1
81 1 14 1 "RMS(OBS, PRED)" CB 63 1.432 1
82 1 14 1 "RMS(OBS, PRED)" H 66 0.531 1
83 1 14 1 "RMS(OBS, PRED)" HA 79 0.345 1
84 1 14 1 "RMS(OBS, PRED)" N 66 3.202 1
85 1 15 1 "RMS(OBS, PRED)" C 68 1.216 1
86 1 15 1 "RMS(OBS, PRED)" CA 71 1.280 1
87 1 15 1 "RMS(OBS, PRED)" CB 63 1.594 1
88 1 15 1 "RMS(OBS, PRED)" H 66 0.519 1
89 1 15 1 "RMS(OBS, PRED)" HA 79 0.379 1
90 1 15 1 "RMS(OBS, PRED)" N 66 3.292 1
91 1 16 1 "RMS(OBS, PRED)" C 68 1.181 1
92 1 16 1 "RMS(OBS, PRED)" CA 71 1.246 1
93 1 16 1 "RMS(OBS, PRED)" CB 63 1.297 1
94 1 16 1 "RMS(OBS, PRED)" H 66 0.522 1
95 1 16 1 "RMS(OBS, PRED)" HA 79 0.340 1
96 1 16 1 "RMS(OBS, PRED)" N 66 3.360 1
97 1 17 1 "RMS(OBS, PRED)" C 68 1.146 1
98 1 17 1 "RMS(OBS, PRED)" CA 71 1.306 1
99 1 17 1 "RMS(OBS, PRED)" CB 63 1.391 1
100 1 17 1 "RMS(OBS, PRED)" H 66 0.523 1
101 1 17 1 "RMS(OBS, PRED)" HA 79 0.364 1
102 1 17 1 "RMS(OBS, PRED)" N 66 3.072 1
103 1 18 1 "RMS(OBS, PRED)" C 68 1.183 1
104 1 18 1 "RMS(OBS, PRED)" CA 71 1.272 1
105 1 18 1 "RMS(OBS, PRED)" CB 63 1.408 1
106 1 18 1 "RMS(OBS, PRED)" H 66 0.558 1
107 1 18 1 "RMS(OBS, PRED)" HA 79 0.355 1
108 1 18 1 "RMS(OBS, PRED)" N 66 3.068 1
109 1 19 1 "RMS(OBS, PRED)" C 68 1.162 1
110 1 19 1 "RMS(OBS, PRED)" CA 71 1.294 1
111 1 19 1 "RMS(OBS, PRED)" CB 63 1.397 1
112 1 19 1 "RMS(OBS, PRED)" H 66 0.583 1
113 1 19 1 "RMS(OBS, PRED)" HA 79 0.370 1
114 1 19 1 "RMS(OBS, PRED)" N 66 3.376 1
115 1 20 1 "RMS(OBS, PRED)" C 68 1.167 1
116 1 20 1 "RMS(OBS, PRED)" CA 71 1.301 1
117 1 20 1 "RMS(OBS, PRED)" CB 63 1.325 1
118 1 20 1 "RMS(OBS, PRED)" H 66 0.560 1
119 1 20 1 "RMS(OBS, PRED)" HA 79 0.342 1
120 1 20 1 "RMS(OBS, PRED)" N 66 3.292 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 HA H 6 4.486 4.763 -0.277 2
1 3 . 1 1 A 6 6 SER CA C 6 58.492 58.522 -0.030 2
1 4 . 1 1 A 6 6 SER CB C 6 64.343 64.742 -0.399 2
1 5 . 1 1 A 7 7 GLY H H 7 8.044 8.307 -0.263 2
1 6 . 1 1 A 7 7 GLY HA2 H 7 4.458 4.140 0.318 2
1 7 . 1 1 A 7 7 GLY HA3 H 7 3.780 4.216 -0.436 2
1 8 . 1 1 A 7 7 GLY C C 7 174.131 173.325 0.806 2
1 9 . 1 1 A 7 7 GLY CA C 7 45.458 45.577 -0.119 2
1 10 . 1 1 A 7 7 GLY N N 7 116.867 109.026 7.841 2
1 11 . 1 1 A 8 8 TRP H H 8 8.111 8.658 -0.547 2
1 12 . 1 1 A 8 8 TRP HA H 8 4.626 4.811 -0.185 2
1 21 . 1 1 A 8 8 TRP C C 8 176.673 176.334 0.339 2
1 22 . 1 1 A 8 8 TRP CA C 8 57.729 57.443 0.286 2
1 23 . 1 1 A 8 8 TRP CB C 8 29.413 30.149 -0.736 2
1 29 . 1 1 A 8 8 TRP N N 8 121.258 122.438 -1.180 2
1 31 . 1 1 A 9 9 GLN H H 9 8.229 8.482 -0.253 2
1 32 . 1 1 A 9 9 GLN HA H 9 4.133 4.224 -0.091 2
1 39 . 1 1 A 9 9 GLN C C 9 176.147 176.435 -0.288 2
1 40 . 1 1 A 9 9 GLN CA C 9 56.283 57.234 -0.951 2
1 41 . 1 1 A 9 9 GLN CB C 9 29.125 29.161 -0.036 2
1 43 . 1 1 A 9 9 GLN N N 9 122.756 122.810 -0.054 2
1 45 . 1 1 A 10 10 GLY H H 10 7.500 8.461 -0.961 2
1 46 . 1 1 A 10 10 GLY HA2 H 10 3.744 4.001 -0.257 2
1 47 . 1 1 A 10 10 GLY HA3 H 10 3.714 4.015 -0.301 2
1 48 . 1 1 A 10 10 GLY C C 10 174.092 174.192 -0.100 2
1 49 . 1 1 A 10 10 GLY CA C 10 45.335 45.939 -0.604 2
1 50 . 1 1 A 10 10 GLY N N 10 108.221 109.062 -0.841 2
1 51 . 1 1 A 11 11 LEU H H 11 8.029 8.365 -0.336 2
1 52 . 1 1 A 11 11 LEU HA H 11 4.368 4.503 -0.135 2
1 62 . 1 1 A 11 11 LEU C C 11 177.808 175.805 2.002 2
1 63 . 1 1 A 11 11 LEU CA C 11 55.348 55.044 0.304 2
1 64 . 1 1 A 11 11 LEU CB C 11 42.515 42.507 0.008 2
1 68 . 1 1 A 11 11 LEU N N 11 121.136 122.918 -1.782 2
1 69 . 1 1 A 12 12 SER H H 12 8.388 8.420 -0.032 2
1 70 . 1 1 A 12 12 SER HA H 12 4.370 4.687 -0.317 2
1 73 . 1 1 A 12 12 SER CA C 12 58.716 58.411 0.305 2
1 74 . 1 1 A 12 12 SER CB C 12 63.835 64.294 -0.459 2
1 75 . 1 1 A 12 12 SER N N 12 116.252 117.822 -1.570 2
1 76 . 1 1 A 13 13 SER HA H 13 4.481 4.621 -0.140 2
1 79 . 1 1 A 13 13 SER C C 13 175.161 173.935 1.226 2
1 80 . 1 1 A 13 13 SER CA C 13 58.442 59.331 -0.889 2
1 81 . 1 1 A 13 13 SER CB C 13 63.798 63.841 -0.043 2
1 82 . 1 1 A 14 14 LYS H H 14 8.372 8.423 -0.051 2
1 83 . 1 1 A 14 14 LYS HA H 14 4.226 4.602 -0.376 2
1 92 . 1 1 A 14 14 LYS C C 14 177.249 175.830 1.419 2
1 93 . 1 1 A 14 14 LYS CA C 14 57.303 56.144 1.159 2
1 94 . 1 1 A 14 14 LYS CB C 14 32.694 33.608 -0.914 2
1 98 . 1 1 A 14 14 LYS N N 14 123.245 122.563 0.682 2
1 99 . 1 1 A 15 15 GLY H H 15 8.213 8.387 -0.174 2
1 100 . 1 1 A 15 15 GLY HA2 H 15 3.924 4.144 -0.220 2
1 101 . 1 1 A 15 15 GLY HA3 H 15 3.924 4.146 -0.223 2
1 102 . 1 1 A 15 15 GLY C C 15 173.863 173.343 0.520 2
1 103 . 1 1 A 15 15 GLY CA C 15 45.599 45.700 -0.101 2
1 104 . 1 1 A 15 15 GLY N N 15 107.368 109.354 -1.986 2
1 105 . 1 1 A 16 16 ASP H H 16 8.091 8.460 -0.369 2
1 106 . 1 1 A 16 16 ASP HA H 16 4.711 4.677 0.034 2
1 109 . 1 1 A 16 16 ASP C C 16 176.074 175.460 0.614 2
1 110 . 1 1 A 16 16 ASP CA C 16 54.167 53.992 0.175 2
1 111 . 1 1 A 16 16 ASP CB C 16 41.155 40.951 0.204 2
1 112 . 1 1 A 16 16 ASP N N 16 119.368 121.796 -2.428 2
1 113 . 1 1 A 17 17 LEU H H 17 7.757 7.704 0.053 2
1 114 . 1 1 A 17 17 LEU HA H 17 4.641 4.516 0.125 2
1 124 . 1 1 A 17 17 LEU C C 17 174.627 174.835 -0.208 2
1 125 . 1 1 A 17 17 LEU CA C 17 53.286 53.475 -0.189 2
1 126 . 1 1 A 17 17 LEU CB C 17 41.003 41.478 -0.475 2
1 130 . 1 1 A 17 17 LEU N N 17 122.770 122.130 0.640 2
1 131 . 1 1 A 18 18 PRO HA H 18 4.619 4.798 -0.179 2
1 138 . 1 1 A 18 18 PRO C C 18 175.014 175.935 -0.921 2
1 139 . 1 1 A 18 18 PRO CA C 18 62.756 62.700 0.056 2
1 140 . 1 1 A 18 18 PRO CB C 18 32.631 32.850 -0.219 2
1 143 . 1 1 A 19 19 GLN H H 19 8.295 8.434 -0.139 2
1 144 . 1 1 A 19 19 GLN HA H 19 5.396 4.918 0.478 2
1 151 . 1 1 A 19 19 GLN C C 19 176.012 174.762 1.250 2
1 152 . 1 1 A 19 19 GLN CA C 19 54.094 54.366 -0.272 2
1 153 . 1 1 A 19 19 GLN CB C 19 32.478 32.322 0.155 2
1 155 . 1 1 A 19 19 GLN N N 19 117.612 119.647 -2.035 2
1 157 . 1 1 A 20 20 VAL H H 20 9.005 8.301 0.704 2
1 158 . 1 1 A 20 20 VAL HA H 20 5.133 4.820 0.313 2
1 166 . 1 1 A 20 20 VAL C C 20 173.875 173.701 0.174 2
1 167 . 1 1 A 20 20 VAL CA C 20 57.486 59.166 -1.680 2
1 168 . 1 1 A 20 20 VAL CB C 20 35.076 35.216 -0.140 2
1 171 . 1 1 A 20 20 VAL N N 20 112.092 117.891 -5.799 2
1 172 . 1 1 A 21 21 GLU H H 21 8.901 8.449 0.452 2
1 173 . 1 1 A 21 21 GLU HA H 21 5.199 4.954 0.245 2
1 178 . 1 1 A 21 21 GLU C C 21 175.780 175.728 0.052 2
1 179 . 1 1 A 21 21 GLU CA C 21 53.268 55.074 -1.806 2
1 180 . 1 1 A 21 21 GLU CB C 21 32.997 31.436 1.561 2
1 182 . 1 1 A 21 21 GLU N N 21 119.970 123.510 -3.540 2
1 183 . 1 1 A 22 22 ILE H H 22 8.656 9.551 -0.895 2
1 184 . 1 1 A 22 22 ILE HA H 22 4.742 4.305 0.437 2
1 194 . 1 1 A 22 22 ILE C C 22 179.107 177.864 1.243 2
1 195 . 1 1 A 22 22 ILE CA C 22 58.064 61.964 -3.900 2
1 196 . 1 1 A 22 22 ILE CB C 22 34.481 37.318 -2.837 2
1 200 . 1 1 A 22 22 ILE N N 22 125.654 127.975 -2.321 2
1 201 . 1 1 A 23 23 THR H H 23 9.206 8.696 0.510 2
1 202 . 1 1 A 23 23 THR HA H 23 4.230 4.265 -0.035 2
1 207 . 1 1 A 23 23 THR C C 23 174.481 174.511 -0.030 2
1 208 . 1 1 A 23 23 THR CA C 23 62.787 63.691 -0.904 2
1 209 . 1 1 A 23 23 THR CB C 23 68.779 69.077 -0.298 2
1 211 . 1 1 A 23 23 THR N N 23 122.259 119.806 2.453 2
1 212 . 1 1 A 24 24 LYS H H 24 7.443 7.650 -0.207 2
1 213 . 1 1 A 24 24 LYS HA H 24 4.332 4.858 -0.526 2
1 222 . 1 1 A 24 24 LYS C C 24 172.169 175.413 -3.244 2
1 223 . 1 1 A 24 24 LYS CA C 24 55.154 54.694 0.460 2
1 224 . 1 1 A 24 24 LYS CB C 24 35.137 35.582 -0.445 2
1 228 . 1 1 A 24 24 LYS N N 24 121.874 118.102 3.772 2
1 229 . 1 1 A 25 25 ALA H H 25 8.259 8.615 -0.356 2
1 230 . 1 1 A 25 25 ALA HA H 25 3.914 4.495 -0.581 2
1 234 . 1 1 A 25 25 ALA C C 25 176.411 176.707 -0.296 2
1 235 . 1 1 A 25 25 ALA CA C 25 53.409 52.807 0.602 2
1 236 . 1 1 A 25 25 ALA CB C 25 19.113 19.005 0.108 2
1 237 . 1 1 A 25 25 ALA N N 25 121.708 124.471 -2.763 2
1 238 . 1 1 A 26 26 PHE H H 26 8.058 8.613 -0.555 2
1 239 . 1 1 A 26 26 PHE HA H 26 4.742 5.032 -0.290 2
1 247 . 1 1 A 26 26 PHE C C 26 172.769 174.166 -1.397 2
1 248 . 1 1 A 26 26 PHE CA C 26 56.354 56.051 0.303 2
1 249 . 1 1 A 26 26 PHE CB C 26 42.608 40.391 2.217 2
1 255 . 1 1 A 26 26 PHE N N 26 121.151 123.653 -2.502 2
1 256 . 1 1 A 27 27 PHE H H 27 7.752 8.610 -0.858 2
1 257 . 1 1 A 27 27 PHE HA H 27 4.469 4.411 0.058 2
1 265 . 1 1 A 27 27 PHE C C 27 173.594 175.295 -1.701 2
1 266 . 1 1 A 27 27 PHE CA C 27 56.088 58.187 -2.098 2
1 267 . 1 1 A 27 27 PHE CB C 27 39.425 39.038 0.387 2
1 273 . 1 1 A 27 27 PHE N N 27 125.818 126.055 -0.237 2
1 274 . 1 1 A 28 28 ALA H H 28 8.045 8.101 -0.056 2
1 275 . 1 1 A 28 28 ALA HA H 28 4.002 3.952 0.050 2
1 279 . 1 1 A 28 28 ALA C C 28 178.303 178.264 0.039 2
1 280 . 1 1 A 28 28 ALA CA C 28 52.898 52.796 0.102 2
1 281 . 1 1 A 28 28 ALA CB C 28 20.853 19.037 1.816 2
1 282 . 1 1 A 28 28 ALA N N 28 126.105 127.365 -1.260 2
1 283 . 1 1 A 29 29 LYS H H 29 9.282 9.429 -0.147 2
1 284 . 1 1 A 29 29 LYS HA H 29 4.524 4.610 -0.086 2
1 293 . 1 1 A 29 29 LYS C C 29 176.347 176.415 -0.068 2
1 294 . 1 1 A 29 29 LYS CA C 29 56.187 56.743 -0.556 2
1 295 . 1 1 A 29 29 LYS CB C 29 34.585 34.331 0.254 2
1 299 . 1 1 A 29 29 LYS N N 29 120.760 119.729 1.031 2
1 300 . 1 1 A 30 30 GLN H H 30 7.738 7.879 -0.141 2
1 301 . 1 1 A 30 30 GLN HA H 30 4.657 4.566 0.091 2
1 308 . 1 1 A 30 30 GLN C C 30 177.059 176.355 0.704 2
1 309 . 1 1 A 30 30 GLN CA C 30 53.885 54.594 -0.709 2
1 310 . 1 1 A 30 30 GLN CB C 30 31.349 30.305 1.044 2
1 312 . 1 1 A 30 30 GLN N N 30 116.957 118.889 -1.932 2
1 314 . 1 1 A 31 31 ALA H H 31 8.719 8.402 0.317 2
1 315 . 1 1 A 31 31 ALA HA H 31 4.189 4.273 -0.084 2
1 319 . 1 1 A 31 31 ALA C C 31 177.686 177.985 -0.299 2
1 320 . 1 1 A 31 31 ALA CA C 31 54.960 53.068 1.892 2
1 321 . 1 1 A 31 31 ALA CB C 31 18.859 19.414 -0.555 2
1 322 . 1 1 A 31 31 ALA N N 31 122.985 123.454 -0.469 2
1 323 . 1 1 A 32 32 ASP H H 32 8.436 8.185 0.251 2
1 324 . 1 1 A 32 32 ASP HA H 32 4.904 4.811 0.093 2
1 327 . 1 1 A 32 32 ASP C C 32 176.845 176.471 0.374 2
1 328 . 1 1 A 32 32 ASP CA C 32 54.044 54.350 -0.306 2
1 329 . 1 1 A 32 32 ASP CB C 32 40.166 41.583 -1.417 2
1 330 . 1 1 A 32 32 ASP N N 32 113.224 116.926 -3.702 2
1 331 . 1 1 A 33 33 GLU H H 33 7.632 8.058 -0.426 2
1 332 . 1 1 A 33 33 GLU HA H 33 5.578 5.027 0.551 2
1 337 . 1 1 A 33 33 GLU C C 33 175.518 175.432 0.086 2
1 338 . 1 1 A 33 33 GLU CA C 33 55.437 56.100 -0.663 2
1 339 . 1 1 A 33 33 GLU CB C 33 33.079 31.471 1.608 2
1 341 . 1 1 A 33 33 GLU N N 33 119.902 119.381 0.521 2
1 342 . 1 1 A 34 34 VAL H H 34 8.311 8.954 -0.643 2
1 343 . 1 1 A 34 34 VAL HA H 34 4.791 4.870 -0.079 2
1 351 . 1 1 A 34 34 VAL C C 34 171.861 174.423 -2.562 2
1 352 . 1 1 A 34 34 VAL CA C 34 58.152 60.111 -1.959 2
1 353 . 1 1 A 34 34 VAL CB C 34 35.881 35.598 0.283 2
1 356 . 1 1 A 34 34 VAL N N 34 119.872 120.837 -0.965 2
1 357 . 1 1 A 35 35 THR H H 35 8.047 8.685 -0.638 2
1 358 . 1 1 A 35 35 THR HA H 35 4.559 4.761 -0.202 2
1 363 . 1 1 A 35 35 THR C C 35 174.643 174.108 0.535 2
1 364 . 1 1 A 35 35 THR CA C 35 62.859 62.845 0.014 2
1 365 . 1 1 A 35 35 THR CB C 35 69.626 69.240 0.386 2
1 367 . 1 1 A 35 35 THR N N 35 123.767 122.863 0.904 2
1 368 . 1 1 A 36 36 LEU H H 36 9.001 8.584 0.417 2
1 369 . 1 1 A 36 36 LEU HA H 36 4.571 5.020 -0.449 2
1 379 . 1 1 A 36 36 LEU C C 36 176.087 175.730 0.357 2
1 380 . 1 1 A 36 36 LEU CA C 36 53.374 53.632 -0.258 2
1 381 . 1 1 A 36 36 LEU CB C 36 47.954 46.154 1.800 2
1 385 . 1 1 A 36 36 LEU N N 36 127.439 126.125 1.314 2
1 386 . 1 1 A 37 37 GLN H H 37 8.889 8.800 0.089 2
1 387 . 1 1 A 37 37 GLN HA H 37 4.298 4.791 -0.493 2
1 394 . 1 1 A 37 37 GLN C C 37 175.508 174.977 0.531 2
1 395 . 1 1 A 37 37 GLN CA C 37 53.621 53.818 -0.197 2
1 396 . 1 1 A 37 37 GLN CB C 37 30.567 32.259 -1.692 2
1 398 . 1 1 A 37 37 GLN N N 37 121.687 119.800 1.887 2
1 400 . 1 1 A 38 38 GLN H H 38 8.517 8.538 -0.021 2
1 401 . 1 1 A 38 38 GLN HA H 38 3.378 3.968 -0.590 2
1 408 . 1 1 A 38 38 GLN C C 38 176.738 176.426 0.312 2
1 409 . 1 1 A 38 38 GLN CA C 38 58.584 57.067 1.517 2
1 410 . 1 1 A 38 38 GLN CB C 38 28.151 28.608 -0.457 2
1 412 . 1 1 A 38 38 GLN N N 38 120.664 121.919 -1.255 2
1 414 . 1 1 A 39 39 ALA H H 39 9.200 9.688 -0.488 2
1 415 . 1 1 A 39 39 ALA HA H 39 3.948 3.865 0.083 2
1 419 . 1 1 A 39 39 ALA C C 39 177.251 175.713 1.538 2
1 420 . 1 1 A 39 39 ALA CA C 39 54.731 53.141 1.590 2
1 421 . 1 1 A 39 39 ALA CB C 39 17.134 17.395 -0.261 2
1 422 . 1 1 A 39 39 ALA N N 39 123.253 123.699 -0.446 2
1 423 . 1 1 A 40 40 ASP H H 40 8.025 7.327 0.698 2
1 424 . 1 1 A 40 40 ASP HA H 40 4.498 5.088 -0.590 2
1 427 . 1 1 A 40 40 ASP C C 40 175.010 175.259 -0.249 2
1 428 . 1 1 A 40 40 ASP CA C 40 56.407 53.037 3.370 2
1 429 . 1 1 A 40 40 ASP CB C 40 41.713 43.136 -1.423 2
1 430 . 1 1 A 40 40 ASP N N 40 121.075 116.356 4.719 2
1 431 . 1 1 A 41 41 VAL H H 41 7.518 8.652 -1.134 2
1 432 . 1 1 A 41 41 VAL HA H 41 5.060 4.582 0.478 2
1 440 . 1 1 A 41 41 VAL C C 41 176.546 175.107 1.439 2
1 441 . 1 1 A 41 41 VAL CA C 41 61.818 61.664 0.154 2
1 442 . 1 1 A 41 41 VAL CB C 41 32.997 32.869 0.128 2
1 445 . 1 1 A 41 41 VAL N N 41 119.767 123.167 -3.400 2
1 446 . 1 1 A 42 42 VAL H H 42 9.086 8.414 0.672 2
1 447 . 1 1 A 42 42 VAL HA H 42 4.528 4.492 0.036 2
1 455 . 1 1 A 42 42 VAL C C 42 173.762 174.583 -0.821 2
1 456 . 1 1 A 42 42 VAL CA C 42 60.363 60.570 -0.207 2
1 457 . 1 1 A 42 42 VAL CB C 42 35.736 35.471 0.265 2
1 460 . 1 1 A 42 42 VAL N N 42 129.212 127.257 1.955 2
1 461 . 1 1 A 43 43 LEU H H 43 8.855 8.958 -0.103 2
1 462 . 1 1 A 43 43 LEU HA H 43 4.651 4.734 -0.083 2
1 472 . 1 1 A 43 43 LEU C C 43 175.853 175.606 0.247 2
1 473 . 1 1 A 43 43 LEU CA C 43 54.132 54.098 0.034 2
1 474 . 1 1 A 43 43 LEU CB C 43 44.039 43.134 0.905 2
1 478 . 1 1 A 43 43 LEU N N 43 128.624 130.018 -1.394 2
1 479 . 1 1 A 44 44 VAL H H 44 8.835 8.923 -0.088 2
1 480 . 1 1 A 44 44 VAL HA H 44 3.837 4.448 -0.611 2
1 488 . 1 1 A 44 44 VAL C C 44 174.445 175.715 -1.270 2
1 489 . 1 1 A 44 44 VAL CA C 44 64.603 63.705 0.898 2
1 490 . 1 1 A 44 44 VAL CB C 44 32.325 32.205 0.120 2
1 493 . 1 1 A 44 44 VAL N N 44 126.525 127.946 -1.421 2
1 494 . 1 1 A 45 45 LEU H H 45 9.166 10.064 -0.898 2
1 495 . 1 1 A 45 45 LEU HA H 45 4.488 4.543 -0.055 2
1 505 . 1 1 A 45 45 LEU C C 45 177.820 176.511 1.309 2
1 506 . 1 1 A 45 45 LEU CA C 45 56.137 55.665 0.472 2
1 507 . 1 1 A 45 45 LEU CB C 45 43.957 43.603 0.354 2
1 511 . 1 1 A 45 45 LEU N N 45 127.543 126.786 0.757 2
1 512 . 1 1 A 46 46 GLN H H 46 8.074 7.531 0.543 2
1 513 . 1 1 A 46 46 GLN HA H 46 4.643 4.772 -0.129 2
1 520 . 1 1 A 46 46 GLN C C 46 173.225 174.510 -1.285 2
1 521 . 1 1 A 46 46 GLN CA C 46 55.277 54.566 0.711 2
1 522 . 1 1 A 46 46 GLN CB C 46 33.285 31.376 1.909 2
1 524 . 1 1 A 46 46 GLN N N 46 115.961 116.840 -0.879 2
1 526 . 1 1 A 47 47 GLN H H 47 8.683 8.971 -0.288 2
1 527 . 1 1 A 47 47 GLN HA H 47 5.194 4.861 0.333 2
1 534 . 1 1 A 47 47 GLN C C 47 174.366 174.671 -0.305 2
1 535 . 1 1 A 47 47 GLN CA C 47 55.243 55.363 -0.120 2
1 536 . 1 1 A 47 47 GLN CB C 47 31.473 29.761 1.712 2
1 538 . 1 1 A 47 47 GLN N N 47 121.742 124.141 -2.399 2
1 540 . 1 1 A 48 48 GLU H H 48 9.201 9.199 0.002 2
1 541 . 1 1 A 48 48 GLU HA H 48 4.669 5.047 -0.378 2
1 546 . 1 1 A 48 48 GLU C C 48 175.622 175.275 0.347 2
1 547 . 1 1 A 48 48 GLU CA C 48 56.134 54.822 1.312 2
1 548 . 1 1 A 48 48 GLU CB C 48 33.098 32.692 0.406 2
1 550 . 1 1 A 48 48 GLU N N 48 124.529 125.114 -0.585 2
1 551 . 1 1 A 49 49 ASP H H 49 9.177 8.839 0.338 2
1 552 . 1 1 A 49 49 ASP HA H 49 4.424 4.316 0.108 2
1 555 . 1 1 A 49 49 ASP C C 49 175.771 176.946 -1.175 2
1 556 . 1 1 A 49 49 ASP CA C 49 56.001 56.078 -0.077 2
1 557 . 1 1 A 49 49 ASP CB C 49 40.478 40.528 -0.050 2
1 558 . 1 1 A 49 49 ASP N N 49 125.649 127.597 -1.948 2
1 559 . 1 1 A 50 50 GLY H H 50 8.750 8.793 -0.043 2
1 560 . 1 1 A 50 50 GLY HA2 H 50 4.266 4.023 0.243 2
1 561 . 1 1 A 50 50 GLY HA3 H 50 3.753 4.129 -0.376 2
1 562 . 1 1 A 50 50 GLY C C 50 174.455 173.665 0.790 2
1 563 . 1 1 A 50 50 GLY CA C 50 45.969 45.407 0.562 2
1 564 . 1 1 A 50 50 GLY N N 50 108.057 112.753 -4.696 2
1 565 . 1 1 A 51 51 TRP H H 51 8.427 8.786 -0.359 2
1 566 . 1 1 A 51 51 TRP HA H 51 4.877 5.309 -0.432 2
1 575 . 1 1 A 51 51 TRP C C 51 173.525 175.545 -2.020 2
1 576 . 1 1 A 51 51 TRP CA C 51 57.270 55.593 1.677 2
1 577 . 1 1 A 51 51 TRP CB C 51 32.690 34.019 -1.329 2
1 583 . 1 1 A 51 51 TRP N N 51 122.784 120.889 1.894 2
1 585 . 1 1 A 52 52 LEU H H 52 9.368 9.143 0.225 2
1 586 . 1 1 A 52 52 LEU HA H 52 4.987 4.921 0.066 2
1 596 . 1 1 A 52 52 LEU C C 52 173.005 174.272 -1.267 2
1 597 . 1 1 A 52 52 LEU CA C 52 52.634 52.948 -0.314 2
1 598 . 1 1 A 52 52 LEU CB C 52 43.833 43.251 0.582 2
1 602 . 1 1 A 52 52 LEU N N 52 121.750 122.769 -1.019 2
1 603 . 1 1 A 53 53 TYR H H 53 8.267 9.477 -1.210 2
1 604 . 1 1 A 53 53 TYR HA H 53 4.513 4.562 -0.049 2
1 611 . 1 1 A 53 53 TYR C C 53 176.111 175.005 1.106 2
1 612 . 1 1 A 53 53 TYR CA C 53 55.283 57.397 -2.114 2
1 613 . 1 1 A 53 53 TYR CB C 53 39.251 39.121 0.130 2
1 618 . 1 1 A 53 53 TYR N N 53 122.457 126.383 -3.926 2
1 619 . 1 1 A 54 54 GLY H H 54 8.238 7.808 0.430 2
1 620 . 1 1 A 54 54 GLY HA2 H 54 4.706 4.123 0.583 2
1 621 . 1 1 A 54 54 GLY HA3 H 54 3.802 4.372 -0.570 2
1 622 . 1 1 A 54 54 GLY C C 54 168.928 171.465 -2.537 2
1 623 . 1 1 A 54 54 GLY CA C 54 45.792 45.696 0.096 2
1 624 . 1 1 A 54 54 GLY N N 54 112.598 111.949 0.649 2
1 625 . 1 1 A 55 55 GLU H H 55 8.400 9.233 -0.833 2
1 626 . 1 1 A 55 55 GLU HA H 55 4.718 5.071 -0.353 2
1 631 . 1 1 A 55 55 GLU C C 55 175.540 175.437 0.103 2
1 632 . 1 1 A 55 55 GLU CA C 55 53.268 54.744 -1.476 2
1 633 . 1 1 A 55 55 GLU CB C 55 34.264 32.839 1.425 2
1 635 . 1 1 A 55 55 GLU N N 55 118.345 120.604 -2.259 2
1 636 . 1 1 A 56 56 ARG H H 56 9.654 9.213 0.441 2
1 637 . 1 1 A 56 56 ARG HA H 56 4.309 4.321 -0.012 2
1 645 . 1 1 A 56 56 ARG C C 56 176.838 176.671 0.167 2
1 646 . 1 1 A 56 56 ARG CA C 56 57.492 56.645 0.847 2
1 647 . 1 1 A 56 56 ARG CB C 56 30.854 30.653 0.201 2
1 650 . 1 1 A 56 56 ARG N N 56 129.571 128.206 1.365 2
1 652 . 1 1 A 57 57 LEU H H 57 8.195 8.239 -0.044 2
1 653 . 1 1 A 57 57 LEU HA H 57 4.021 4.195 -0.174 2
1 663 . 1 1 A 57 57 LEU C C 57 179.671 178.674 0.996 2
1 664 . 1 1 A 57 57 LEU CA C 57 58.338 57.146 1.192 2
1 665 . 1 1 A 57 57 LEU CB C 57 41.939 41.365 0.574 2
1 669 . 1 1 A 57 57 LEU N N 57 129.973 126.978 2.995 2
1 670 . 1 1 A 58 58 ARG H H 58 8.494 8.105 0.389 2
1 671 . 1 1 A 58 58 ARG HA H 58 4.112 3.973 0.139 2
1 678 . 1 1 A 58 58 ARG C C 58 176.402 177.879 -1.477 2
1 679 . 1 1 A 58 58 ARG CA C 58 59.139 59.612 -0.473 2
1 680 . 1 1 A 58 58 ARG CB C 58 30.106 30.148 -0.042 2
1 683 . 1 1 A 58 58 ARG N N 58 115.005 120.917 -5.912 2
1 684 . 1 1 A 59 59 ASP H H 59 7.392 8.011 -0.619 2
1 685 . 1 1 A 59 59 ASP HA H 59 4.803 4.748 0.055 2
1 688 . 1 1 A 59 59 ASP C C 59 176.801 176.478 0.323 2
1 689 . 1 1 A 59 59 ASP CA C 59 52.827 53.969 -1.142 2
1 690 . 1 1 A 59 59 ASP CB C 59 42.144 42.242 -0.098 2
1 691 . 1 1 A 59 59 ASP N N 59 113.739 116.686 -2.947 2
1 692 . 1 1 A 60 60 GLY H H 60 8.435 8.403 0.032 2
1 693 . 1 1 A 60 60 GLY HA2 H 60 4.125 3.973 0.152 2
1 694 . 1 1 A 60 60 GLY HA3 H 60 3.868 3.985 -0.117 2
1 695 . 1 1 A 60 60 GLY C C 60 174.707 174.528 0.180 2
1 696 . 1 1 A 60 60 GLY CA C 60 45.917 45.177 0.740 2
1 697 . 1 1 A 60 60 GLY N N 60 110.642 107.109 3.533 2
1 698 . 1 1 A 61 61 GLU H H 61 7.527 7.886 -0.359 2
1 699 . 1 1 A 61 61 GLU HA H 61 4.163 4.341 -0.178 2
1 704 . 1 1 A 61 61 GLU C C 61 176.225 175.748 0.477 2
1 705 . 1 1 A 61 61 GLU CA C 61 58.222 57.080 1.142 2
1 706 . 1 1 A 61 61 GLU CB C 61 29.825 30.473 -0.648 2
1 708 . 1 1 A 61 61 GLU N N 61 123.061 121.081 1.980 2
1 709 . 1 1 A 62 62 THR H H 62 8.451 8.762 -0.311 2
1 710 . 1 1 A 62 62 THR HA H 62 5.666 5.041 0.625 2
1 715 . 1 1 A 62 62 THR C C 62 174.469 173.947 0.522 2
1 716 . 1 1 A 62 62 THR CA C 62 59.826 60.526 -0.700 2
1 717 . 1 1 A 62 62 THR CB C 62 72.751 69.691 3.060 2
1 719 . 1 1 A 62 62 THR N N 62 117.411 120.612 -3.201 2
1 720 . 1 1 A 63 63 GLY H H 63 7.931 8.246 -0.315 2
1 721 . 1 1 A 63 63 GLY HA2 H 63 4.124 4.445 -0.321 2
1 722 . 1 1 A 63 63 GLY HA3 H 63 3.936 4.536 -0.600 2
1 723 . 1 1 A 63 63 GLY C C 63 170.896 171.961 -1.065 2
1 724 . 1 1 A 63 63 GLY CA C 63 45.652 45.419 0.233 2
1 725 . 1 1 A 63 63 GLY N N 63 108.439 112.178 -3.739 2
1 726 . 1 1 A 64 64 TRP H H 64 9.071 9.318 -0.247 2
1 727 . 1 1 A 64 64 TRP HA H 64 6.061 5.659 0.402 2
1 736 . 1 1 A 64 64 TRP C C 64 177.395 176.457 0.938 2
1 737 . 1 1 A 64 64 TRP CA C 64 57.259 56.731 0.528 2
1 738 . 1 1 A 64 64 TRP CB C 64 31.882 30.935 0.947 2
1 744 . 1 1 A 64 64 TRP N N 64 119.762 120.586 -0.824 2
1 746 . 1 1 A 65 65 PHE H H 65 9.657 9.312 0.345 2
1 747 . 1 1 A 65 65 PHE HA H 65 4.823 5.370 -0.547 2
1 755 . 1 1 A 65 65 PHE C C 65 170.814 173.069 -2.255 2
1 756 . 1 1 A 65 65 PHE CA C 65 55.578 54.984 0.594 2
1 757 . 1 1 A 65 65 PHE CB C 65 38.245 42.064 -3.819 2
1 763 . 1 1 A 65 65 PHE N N 65 116.076 120.023 -3.947 2
1 764 . 1 1 A 66 66 PRO HA H 66 3.546 4.290 -0.744 2
1 771 . 1 1 A 66 66 PRO C C 66 177.963 177.759 0.204 2
1 772 . 1 1 A 66 66 PRO CA C 66 62.065 62.259 -0.194 2
1 773 . 1 1 A 66 66 PRO CB C 66 31.116 32.000 -0.884 2
1 776 . 1 1 A 67 67 GLU H H 67 8.081 8.593 -0.512 2
1 777 . 1 1 A 67 67 GLU HA H 67 3.651 4.117 -0.466 2
1 782 . 1 1 A 67 67 GLU C C 67 177.298 178.740 -1.442 2
1 783 . 1 1 A 67 67 GLU CA C 67 58.746 59.219 -0.473 2
1 784 . 1 1 A 67 67 GLU CB C 67 29.820 29.064 0.756 2
1 786 . 1 1 A 67 67 GLU N N 67 121.549 122.233 -0.684 2
1 787 . 1 1 A 68 68 ASP H H 68 8.456 8.174 0.282 2
1 788 . 1 1 A 68 68 ASP HA H 68 4.539 4.314 0.225 2
1 791 . 1 1 A 68 68 ASP C C 68 176.157 177.353 -1.196 2
1 792 . 1 1 A 68 68 ASP CA C 68 55.225 56.790 -1.565 2
1 793 . 1 1 A 68 68 ASP CB C 68 39.633 40.598 -0.965 2
1 794 . 1 1 A 68 68 ASP N N 68 113.915 120.738 -6.823 2
1 795 . 1 1 A 69 69 PHE H H 69 7.661 7.742 -0.081 2
1 796 . 1 1 A 69 69 PHE HA H 69 4.386 4.645 -0.259 2
1 803 . 1 1 A 69 69 PHE C C 69 173.252 174.719 -1.467 2
1 804 . 1 1 A 69 69 PHE CA C 69 57.758 57.234 0.524 2
1 805 . 1 1 A 69 69 PHE CB C 69 37.019 38.712 -1.693 2
1 810 . 1 1 A 69 69 PHE N N 69 119.727 116.034 3.693 2
1 811 . 1 1 A 70 70 ALA H H 70 7.809 8.386 -0.577 2
1 812 . 1 1 A 70 70 ALA HA H 70 5.256 4.837 0.419 2
1 816 . 1 1 A 70 70 ALA C C 70 175.703 175.128 0.575 2
1 817 . 1 1 A 70 70 ALA CA C 70 50.800 51.337 -0.537 2
1 818 . 1 1 A 70 70 ALA CB C 70 24.061 23.006 1.055 2
1 819 . 1 1 A 70 70 ALA N N 70 121.782 120.693 1.089 2
1 820 . 1 1 A 71 71 ARG H H 71 8.792 8.312 0.480 2
1 821 . 1 1 A 71 71 ARG HA H 71 4.828 5.059 -0.231 2
1 828 . 1 1 A 71 71 ARG C C 71 175.613 175.463 0.150 2
1 829 . 1 1 A 71 71 ARG CA C 71 54.220 54.348 -0.128 2
1 830 . 1 1 A 71 71 ARG CB C 71 33.286 32.642 0.644 2
1 833 . 1 1 A 71 71 ARG N N 71 119.543 118.396 1.147 2
1 834 . 1 1 A 72 72 PHE H H 72 9.194 8.933 0.261 2
1 835 . 1 1 A 72 72 PHE HA H 72 4.604 4.420 0.184 2
1 843 . 1 1 A 72 72 PHE C C 72 176.818 175.938 0.880 2
1 844 . 1 1 A 72 72 PHE CA C 72 59.896 59.083 0.813 2
1 845 . 1 1 A 72 72 PHE CB C 72 39.079 38.889 0.190 2
1 851 . 1 1 A 72 72 PHE N N 72 125.006 123.728 1.278 2
1 852 . 1 1 A 73 73 ILE H H 73 8.574 8.538 0.036 2
1 853 . 1 1 A 73 73 ILE HA H 73 4.390 3.979 0.411 2
1 863 . 1 1 A 73 73 ILE C C 73 176.086 176.636 -0.549 2
1 864 . 1 1 A 73 73 ILE CA C 73 61.450 63.863 -2.413 2
1 865 . 1 1 A 73 73 ILE CB C 73 39.508 38.147 1.361 2
1 869 . 1 1 A 73 73 ILE N N 73 120.816 127.311 -6.495 2
1 870 . 1 1 A 74 74 SER H H 74 8.329 7.970 0.359 2
1 871 . 1 1 A 74 74 SER HA H 74 4.626 4.864 -0.238 2
1 874 . 1 1 A 74 74 SER C C 74 174.223 173.464 0.759 2
1 875 . 1 1 A 74 74 SER CA C 74 58.169 57.645 0.524 2
1 876 . 1 1 A 74 74 SER CB C 74 64.370 65.411 -1.041 2
1 877 . 1 1 A 74 74 SER N N 74 118.251 113.859 4.392 2
1 878 . 1 1 A 75 75 GLY H H 75 8.372 8.559 -0.187 2
1 879 . 1 1 A 75 75 GLY HA2 H 75 4.149 4.182 -0.033 2
1 880 . 1 1 A 75 75 GLY HA3 H 75 4.149 4.239 -0.090 2
1 881 . 1 1 A 75 75 GLY C C 75 171.907 172.767 -0.860 2
1 882 . 1 1 A 75 75 GLY CA C 75 44.682 45.368 -0.686 2
1 883 . 1 1 A 75 75 GLY N N 75 109.951 111.665 -1.714 2
1 884 . 1 1 A 76 76 PRO HA H 76 4.456 4.614 -0.158 2
1 891 . 1 1 A 76 76 PRO CA C 76 63.394 62.507 0.887 2
1 892 . 1 1 A 76 76 PRO CB C 76 32.180 31.476 0.704 2
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