data_15190_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15190
_Entry.PDB_ID 2JOQ
_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 2 2 GLY HA2 H 2 3.721 4.056 -0.335 1
1 2 . 1 1 1 A 2 2 GLY HA3 H 2 3.721 4.104 -0.383 1
1 3 . 1 1 1 A 2 2 GLY CA C 2 43.440 44.838 -1.398 1
1 4 . 1 1 1 A 3 3 HIS HA H 3 4.602 5.385 -0.783 1
1 9 . 1 1 1 A 3 3 HIS C C 3 172.383 173.476 -1.093 1
1 10 . 1 1 1 A 3 3 HIS CA C 3 56.270 53.998 2.272 1
1 11 . 1 1 1 A 3 3 HIS CB C 3 30.850 32.788 -1.938 1
1 14 . 1 1 1 A 4 4 MET H H 4 8.397 8.803 -0.406 1
1 15 . 1 1 1 A 4 4 MET HA H 4 4.720 4.546 0.174 1
1 23 . 1 1 1 A 4 4 MET CA C 4 53.410 55.280 -1.870 1
1 24 . 1 1 1 A 4 4 MET CB C 4 32.550 32.315 0.235 1
1 27 . 1 1 1 A 4 4 MET N N 4 123.715 120.730 2.985 1
1 28 . 1 1 1 A 5 5 PRO HA H 5 4.340 4.632 -0.292 1
1 35 . 1 1 1 A 5 5 PRO C C 5 174.369 176.987 -2.618 1
1 36 . 1 1 1 A 5 5 PRO CA C 5 63.686 62.516 1.170 1
1 37 . 1 1 1 A 5 5 PRO CB C 5 32.430 33.494 -1.064 1
1 40 . 1 1 1 A 6 6 SER H H 6 8.337 8.760 -0.423 1
1 41 . 1 1 1 A 6 6 SER HA H 6 4.299 4.680 -0.381 1
1 44 . 1 1 1 A 6 6 SER C C 6 171.770 173.597 -1.827 1
1 45 . 1 1 1 A 6 6 SER CA C 6 58.800 58.506 0.294 1
1 46 . 1 1 1 A 6 6 SER CB C 6 63.896 63.844 0.052 1
1 47 . 1 1 1 A 6 6 SER N N 6 115.479 115.513 -0.034 1
1 48 . 1 1 1 A 7 7 ASP H H 7 8.269 7.776 0.493 1
1 49 . 1 1 1 A 7 7 ASP HA H 7 4.545 4.364 0.181 1
1 52 . 1 1 1 A 7 7 ASP C C 7 173.646 177.073 -3.427 1
1 53 . 1 1 1 A 7 7 ASP CA C 7 54.571 54.729 -0.158 1
1 54 . 1 1 1 A 7 7 ASP CB C 7 41.353 41.273 0.080 1
1 55 . 1 1 1 A 7 7 ASP N N 7 122.367 123.969 -1.602 1
1 56 . 1 1 1 A 8 8 SER H H 8 8.126 8.734 -0.608 1
1 57 . 1 1 1 A 8 8 SER HA H 8 4.337 4.063 0.274 1
1 60 . 1 1 1 A 8 8 SER C C 8 171.792 173.491 -1.699 1
1 61 . 1 1 1 A 8 8 SER CA C 8 58.950 59.435 -0.485 1
1 62 . 1 1 1 A 8 8 SER CB C 8 64.140 61.448 2.692 1
1 63 . 1 1 1 A 8 8 SER N N 8 116.038 115.944 0.094 1
1 64 . 1 1 1 A 9 9 LYS H H 9 8.400 7.865 0.535 1
1 65 . 1 1 1 A 9 9 LYS HA H 9 4.225 4.242 -0.017 1
1 74 . 1 1 1 A 9 9 LYS C C 9 173.626 176.406 -2.780 1
1 75 . 1 1 1 A 9 9 LYS CA C 9 56.391 56.439 -0.048 1
1 76 . 1 1 1 A 9 9 LYS CB C 9 32.970 33.044 -0.074 1
1 80 . 1 1 1 A 9 9 LYS N N 9 122.400 121.918 0.482 1
1 81 . 1 1 1 A 10 10 LYS H H 10 8.180 8.575 -0.395 1
1 82 . 1 1 1 A 10 10 LYS HA H 10 4.493 4.408 0.085 1
1 91 . 1 1 1 A 10 10 LYS CA C 10 54.500 54.621 -0.121 1
1 92 . 1 1 1 A 10 10 LYS CB C 10 32.750 32.452 0.298 1
1 96 . 1 1 1 A 10 10 LYS N N 10 123.900 125.808 -1.908 1
1 97 . 1 1 1 A 11 11 PRO HA H 11 4.404 4.532 -0.128 1
1 104 . 1 1 1 A 11 11 PRO C C 11 174.099 176.523 -2.424 1
1 105 . 1 1 1 A 11 11 PRO CA C 11 63.451 62.712 0.739 1
1 106 . 1 1 1 A 11 11 PRO CB C 11 32.405 31.780 0.625 1
1 109 . 1 1 1 A 12 12 THR H H 12 8.277 8.392 -0.115 1
1 110 . 1 1 1 A 12 12 THR HA H 12 4.156 4.368 -0.212 1
1 115 . 1 1 1 A 12 12 THR C C 12 171.255 174.209 -2.954 1
1 116 . 1 1 1 A 12 12 THR CA C 12 62.829 63.179 -0.350 1
1 117 . 1 1 1 A 12 12 THR CB C 12 70.113 68.333 1.780 1
1 119 . 1 1 1 A 12 12 THR N N 12 116.775 118.023 -1.248 1
1 120 . 1 1 1 A 13 13 ILE H H 13 8.141 9.160 -1.019 1
1 121 . 1 1 1 A 13 13 ILE HA H 13 3.880 4.722 -0.842 1
1 131 . 1 1 1 A 13 13 ILE C C 13 171.936 175.146 -3.210 1
1 132 . 1 1 1 A 13 13 ILE CA C 13 61.000 59.654 1.346 1
1 133 . 1 1 1 A 13 13 ILE CB C 13 38.957 39.774 -0.817 1
1 137 . 1 1 1 A 13 13 ILE N N 13 126.554 127.966 -1.412 1
1 138 . 1 1 1 A 14 14 ILE H H 14 7.890 8.762 -0.872 1
1 139 . 1 1 1 A 14 14 ILE HA H 14 4.045 4.683 -0.638 1
1 149 . 1 1 1 A 14 14 ILE C C 14 171.624 174.907 -3.283 1
1 150 . 1 1 1 A 14 14 ILE CA C 14 60.132 60.258 -0.126 1
1 151 . 1 1 1 A 14 14 ILE CB C 14 38.760 37.819 0.941 1
1 155 . 1 1 1 A 14 14 ILE N N 14 127.503 128.589 -1.086 1
1 156 . 1 1 1 A 15 15 TYR H H 15 8.185 8.917 -0.732 1
1 165 . 1 1 1 A 15 15 TYR N N 15 123.664 127.282 -3.618 1
1 166 . 1 1 1 A 16 16 PRO HA H 16 5.087 5.296 -0.209 1
1 173 . 1 1 1 A 16 16 PRO C C 16 172.702 174.976 -2.274 1
1 174 . 1 1 1 A 16 16 PRO CA C 16 62.891 62.642 0.249 1
1 175 . 1 1 1 A 16 16 PRO CB C 16 36.288 33.128 3.160 1
1 178 . 1 1 1 A 17 17 CYS H H 17 8.579 8.723 -0.144 1
1 179 . 1 1 1 A 17 17 CYS HA H 17 4.924 4.912 0.012 1
1 182 . 1 1 1 A 17 17 CYS C C 17 169.725 173.627 -3.902 1
1 183 . 1 1 1 A 17 17 CYS CA C 17 55.925 58.140 -2.215 1
1 184 . 1 1 1 A 17 17 CYS CB C 17 31.200 31.469 -0.269 1
1 185 . 1 1 1 A 17 17 CYS N N 17 114.797 119.293 -4.496 1
1 186 . 1 1 1 A 18 18 LEU H H 18 8.449 8.493 -0.044 1
1 187 . 1 1 1 A 18 18 LEU HA H 18 4.336 4.710 -0.374 1
1 197 . 1 1 1 A 18 18 LEU C C 18 172.529 175.968 -3.439 1
1 198 . 1 1 1 A 18 18 LEU CA C 18 55.600 55.429 0.171 1
1 199 . 1 1 1 A 18 18 LEU CB C 18 42.550 42.151 0.399 1
1 203 . 1 1 1 A 18 18 LEU N N 18 122.242 123.806 -1.564 1
1 204 . 1 1 1 A 19 19 TRP H H 19 9.079 9.057 0.022 1
1 205 . 1 1 1 A 19 19 TRP HA H 19 4.300 5.259 -0.959 1
1 214 . 1 1 1 A 19 19 TRP C C 19 170.195 173.915 -3.720 1
1 215 . 1 1 1 A 19 19 TRP CA C 19 56.750 55.354 1.396 1
1 216 . 1 1 1 A 19 19 TRP CB C 19 33.935 33.075 0.860 1
1 222 . 1 1 1 A 19 19 TRP N N 19 130.082 127.012 3.070 1
1 224 . 1 1 1 A 20 20 ASP H H 20 6.314 8.136 -1.822 1
1 225 . 1 1 1 A 20 20 ASP HA H 20 5.559 5.340 0.219 1
1 228 . 1 1 1 A 20 20 ASP C C 20 172.285 174.078 -1.793 1
1 229 . 1 1 1 A 20 20 ASP CA C 20 52.900 52.802 0.098 1
1 230 . 1 1 1 A 20 20 ASP CB C 20 43.450 43.573 -0.123 1
1 231 . 1 1 1 A 20 20 ASP N N 20 122.801 128.581 -5.780 1
1 232 . 1 1 1 A 21 21 TYR H H 21 9.519 9.711 -0.192 1
1 233 . 1 1 1 A 21 21 TYR HA H 21 4.975 5.238 -0.263 1
1 240 . 1 1 1 A 21 21 TYR C C 21 172.202 174.423 -2.221 1
1 241 . 1 1 1 A 21 21 TYR CA C 21 56.910 56.556 0.354 1
1 242 . 1 1 1 A 21 21 TYR CB C 21 40.850 42.011 -1.161 1
1 247 . 1 1 1 A 21 21 TYR N N 21 120.749 125.527 -4.778 1
1 248 . 1 1 1 A 22 22 ARG H H 22 8.758 8.962 -0.204 1
1 249 . 1 1 1 A 22 22 ARG HA H 22 5.189 4.950 0.239 1
1 256 . 1 1 1 A 22 22 ARG C C 22 172.210 175.073 -2.863 1
1 257 . 1 1 1 A 22 22 ARG CA C 22 55.180 55.156 0.024 1
1 258 . 1 1 1 A 22 22 ARG CB C 22 31.360 32.145 -0.785 1
1 261 . 1 1 1 A 22 22 ARG N N 22 124.405 124.821 -0.416 1
1 262 . 1 1 1 A 23 23 VAL H H 23 9.170 9.428 -0.258 1
1 263 . 1 1 1 A 23 23 VAL HA H 23 4.591 4.756 -0.165 1
1 271 . 1 1 1 A 23 23 VAL C C 23 171.354 174.829 -3.475 1
1 272 . 1 1 1 A 23 23 VAL CA C 23 61.836 61.582 0.254 1
1 273 . 1 1 1 A 23 23 VAL CB C 23 35.725 33.663 2.062 1
1 276 . 1 1 1 A 23 23 VAL N N 23 125.900 126.859 -0.959 1
1 277 . 1 1 1 A 24 24 ILE H H 24 8.919 9.061 -0.142 1
1 278 . 1 1 1 A 24 24 ILE HA H 24 5.119 5.277 -0.158 1
1 288 . 1 1 1 A 24 24 ILE C C 24 173.492 175.356 -1.864 1
1 289 . 1 1 1 A 24 24 ILE CA C 24 60.567 60.547 0.020 1
1 290 . 1 1 1 A 24 24 ILE CB C 24 38.346 38.542 -0.196 1
1 294 . 1 1 1 A 24 24 ILE N N 24 127.789 129.010 -1.221 1
1 295 . 1 1 1 A 25 25 MET H H 25 9.857 9.193 0.664 1
1 296 . 1 1 1 A 25 25 MET HA H 25 6.017 5.548 0.469 1
1 304 . 1 1 1 A 25 25 MET C C 25 174.379 176.625 -2.246 1
1 305 . 1 1 1 A 25 25 MET CA C 25 54.898 54.403 0.495 1
1 306 . 1 1 1 A 25 25 MET CB C 25 40.260 36.621 3.639 1
1 309 . 1 1 1 A 25 25 MET N N 25 124.403 126.375 -1.972 1
1 310 . 1 1 1 A 26 26 THR H H 26 8.843 8.612 0.231 1
1 311 . 1 1 1 A 26 26 THR HA H 26 4.875 4.800 0.075 1
1 316 . 1 1 1 A 26 26 THR C C 26 170.849 174.168 -3.319 1
1 317 . 1 1 1 A 26 26 THR CA C 26 61.826 61.924 -0.098 1
1 318 . 1 1 1 A 26 26 THR CB C 26 68.846 68.900 -0.054 1
1 320 . 1 1 1 A 26 26 THR N N 26 108.669 113.062 -4.393 1
1 321 . 1 1 1 A 27 27 THR H H 27 7.342 7.870 -0.528 1
1 322 . 1 1 1 A 27 27 THR HA H 27 4.618 4.865 -0.247 1
1 327 . 1 1 1 A 27 27 THR C C 27 166.898 173.166 -6.268 1
1 328 . 1 1 1 A 27 27 THR CA C 27 58.657 60.173 -1.516 1
1 329 . 1 1 1 A 27 27 THR CB C 27 69.696 71.256 -1.560 1
1 331 . 1 1 1 A 27 27 THR N N 27 114.866 114.898 -0.032 1
1 332 . 1 1 1 A 28 28 LYS H H 28 7.638 8.662 -1.024 1
1 333 . 1 1 1 A 28 28 LYS HA H 28 3.991 4.349 -0.358 1
1 342 . 1 1 1 A 28 28 LYS C C 28 173.190 176.741 -3.551 1
1 343 . 1 1 1 A 28 28 LYS CA C 28 55.731 56.516 -0.785 1
1 344 . 1 1 1 A 28 28 LYS CB C 28 32.790 32.308 0.482 1
1 348 . 1 1 1 A 28 28 LYS N N 28 121.283 125.178 -3.895 1
1 349 . 1 1 1 A 29 29 ASP H H 29 8.184 7.518 0.666 1
1 350 . 1 1 1 A 29 29 ASP HA H 29 4.401 4.636 -0.235 1
1 353 . 1 1 1 A 29 29 ASP C C 29 173.830 174.739 -0.909 1
1 354 . 1 1 1 A 29 29 ASP CA C 29 53.979 53.095 0.884 1
1 355 . 1 1 1 A 29 29 ASP CB C 29 40.730 39.695 1.035 1
1 356 . 1 1 1 A 29 29 ASP N N 29 120.231 121.535 -1.304 1
1 357 . 1 1 1 A 30 30 THR H H 30 7.830 8.354 -0.524 1
1 358 . 1 1 1 A 30 30 THR HA H 30 3.742 4.699 -0.957 1
1 363 . 1 1 1 A 30 30 THR C C 30 172.987 173.947 -0.960 1
1 364 . 1 1 1 A 30 30 THR CA C 30 61.299 60.098 1.201 1
1 365 . 1 1 1 A 30 30 THR CB C 30 69.294 68.178 1.116 1
1 367 . 1 1 1 A 30 30 THR N N 30 115.459 120.579 -5.120 1
1 368 . 1 1 1 A 31 31 SER H H 31 8.561 8.391 0.170 1
1 369 . 1 1 1 A 31 31 SER HA H 31 3.875 4.489 -0.614 1
1 372 . 1 1 1 A 31 31 SER CA C 31 63.520 58.774 4.746 1
1 373 . 1 1 1 A 31 31 SER CB C 31 62.332 64.197 -1.865 1
1 374 . 1 1 1 A 31 31 SER N N 31 119.763 122.974 -3.211 1
1 375 . 1 1 1 A 32 32 THR HA H 32 3.961 3.917 0.044 1
1 380 . 1 1 1 A 32 32 THR C C 32 173.850 176.090 -2.240 1
1 381 . 1 1 1 A 32 32 THR CA C 32 65.447 66.875 -1.428 1
1 382 . 1 1 1 A 32 32 THR CB C 32 68.715 68.599 0.116 1
1 384 . 1 1 1 A 33 33 LEU H H 33 7.209 7.995 -0.786 1
1 385 . 1 1 1 A 33 33 LEU HA H 33 3.950 3.921 0.029 1
1 395 . 1 1 1 A 33 33 LEU C C 33 174.505 178.579 -4.074 1
1 396 . 1 1 1 A 33 33 LEU CA C 33 57.653 58.483 -0.830 1
1 397 . 1 1 1 A 33 33 LEU CB C 33 42.210 41.445 0.765 1
1 401 . 1 1 1 A 33 33 LEU N N 33 125.158 121.583 3.575 1
1 402 . 1 1 1 A 34 34 LYS H H 34 8.671 7.839 0.832 1
1 403 . 1 1 1 A 34 34 LYS HA H 34 3.552 3.751 -0.199 1
1 412 . 1 1 1 A 34 34 LYS C C 34 174.794 179.241 -4.447 1
1 413 . 1 1 1 A 34 34 LYS CA C 34 61.226 59.617 1.609 1
1 414 . 1 1 1 A 34 34 LYS CB C 34 32.880 32.287 0.593 1
1 418 . 1 1 1 A 34 34 LYS N N 34 119.112 118.500 0.612 1
1 419 . 1 1 1 A 35 35 GLU H H 35 7.813 8.294 -0.481 1
1 420 . 1 1 1 A 35 35 GLU HA H 35 3.863 4.010 -0.147 1
1 425 . 1 1 1 A 35 35 GLU C C 35 176.222 179.052 -2.830 1
1 426 . 1 1 1 A 35 35 GLU CA C 35 59.721 59.044 0.677 1
1 427 . 1 1 1 A 35 35 GLU CB C 35 29.898 29.223 0.675 1
1 429 . 1 1 1 A 35 35 GLU N N 35 116.554 120.186 -3.632 1
1 430 . 1 1 1 A 36 36 LEU H H 36 7.153 7.909 -0.756 1
1 431 . 1 1 1 A 36 36 LEU HA H 36 4.175 3.974 0.201 1
1 441 . 1 1 1 A 36 36 LEU C C 36 177.281 178.804 -1.523 1
1 442 . 1 1 1 A 36 36 LEU CA C 36 58.018 58.004 0.014 1
1 443 . 1 1 1 A 36 36 LEU CB C 36 41.720 41.291 0.429 1
1 447 . 1 1 1 A 36 36 LEU N N 36 119.071 118.840 0.231 1
1 448 . 1 1 1 A 37 37 LEU H H 37 8.245 7.970 0.275 1
1 449 . 1 1 1 A 37 37 LEU HA H 37 3.749 3.968 -0.219 1
1 459 . 1 1 1 A 37 37 LEU C C 37 177.903 179.435 -1.532 1
1 460 . 1 1 1 A 37 37 LEU CA C 37 58.278 57.956 0.322 1
1 461 . 1 1 1 A 37 37 LEU CB C 37 39.600 40.625 -1.025 1
1 465 . 1 1 1 A 37 37 LEU N N 37 121.326 119.033 2.293 1
1 466 . 1 1 1 A 38 38 GLU H H 38 8.641 8.427 0.214 1
1 467 . 1 1 1 A 38 38 GLU HA H 38 4.320 4.153 0.167 1
1 472 . 1 1 1 A 38 38 GLU C C 38 177.074 179.115 -2.041 1
1 473 . 1 1 1 A 38 38 GLU CA C 38 59.619 59.401 0.218 1
1 474 . 1 1 1 A 38 38 GLU CB C 38 29.850 29.433 0.417 1
1 476 . 1 1 1 A 38 38 GLU N N 38 119.504 118.514 0.990 1
1 477 . 1 1 1 A 39 39 THR H H 39 7.653 7.811 -0.158 1
1 478 . 1 1 1 A 39 39 THR HA H 39 4.097 4.094 0.003 1
1 483 . 1 1 1 A 39 39 THR C C 39 173.229 175.688 -2.459 1
1 484 . 1 1 1 A 39 39 THR CA C 39 65.080 65.064 0.016 1
1 485 . 1 1 1 A 39 39 THR CB C 39 69.952 68.341 1.611 1
1 487 . 1 1 1 A 39 39 THR N N 39 110.838 113.388 -2.550 1
1 488 . 1 1 1 A 40 40 TYR H H 40 7.478 7.675 -0.197 1
1 489 . 1 1 1 A 40 40 TYR HA H 40 4.073 4.694 -0.621 1
1 496 . 1 1 1 A 40 40 TYR C C 40 172.486 175.099 -2.613 1
1 497 . 1 1 1 A 40 40 TYR CA C 40 61.549 57.071 4.478 1
1 498 . 1 1 1 A 40 40 TYR CB C 40 37.140 38.045 -0.905 1
1 503 . 1 1 1 A 40 40 TYR N N 40 118.654 120.640 -1.986 1
1 504 . 1 1 1 A 41 41 GLN H H 41 7.901 8.169 -0.268 1
1 505 . 1 1 1 A 41 41 GLN HA H 41 3.963 4.033 -0.070 1
1 512 . 1 1 1 A 41 41 GLN C C 41 171.223 174.239 -3.016 1
1 513 . 1 1 1 A 41 41 GLN CA C 41 57.158 57.369 -0.211 1
1 514 . 1 1 1 A 41 41 GLN CB C 41 27.330 26.482 0.848 1
1 516 . 1 1 1 A 41 41 GLN N N 41 116.315 116.121 0.194 1
1 518 . 1 1 1 A 42 42 ARG H H 42 8.493 7.931 0.562 1
1 519 . 1 1 1 A 42 42 ARG HA H 42 5.052 4.900 0.152 1
1 527 . 1 1 1 A 42 42 ARG CA C 42 54.040 53.981 0.059 1
1 528 . 1 1 1 A 42 42 ARG CB C 42 30.650 31.378 -0.728 1
1 531 . 1 1 1 A 42 42 ARG N N 42 115.494 117.261 -1.767 1
1 533 . 1 1 1 A 43 43 PRO HA H 43 4.390 4.804 -0.414 1
1 540 . 1 1 1 A 43 43 PRO C C 43 172.836 176.291 -3.455 1
1 541 . 1 1 1 A 43 43 PRO CA C 43 63.574 62.803 0.771 1
1 542 . 1 1 1 A 43 43 PRO CB C 43 32.500 33.441 -0.941 1
1 545 . 1 1 1 A 44 44 PHE H H 44 7.742 8.566 -0.824 1
1 546 . 1 1 1 A 44 44 PHE HA H 44 5.281 5.040 0.241 1
1 554 . 1 1 1 A 44 44 PHE C C 44 170.840 172.081 -1.241 1
1 555 . 1 1 1 A 44 44 PHE CA C 44 56.174 56.195 -0.021 1
1 556 . 1 1 1 A 44 44 PHE CB C 44 42.280 41.210 1.070 1
1 562 . 1 1 1 A 44 44 PHE N N 44 115.046 117.128 -2.082 1
1 563 . 1 1 1 A 45 45 LYS H H 45 8.944 9.224 -0.280 1
1 564 . 1 1 1 A 45 45 LYS HA H 45 4.641 4.797 -0.156 1
1 573 . 1 1 1 A 45 45 LYS C C 45 171.934 174.824 -2.890 1
1 574 . 1 1 1 A 45 45 LYS CA C 45 55.210 55.298 -0.088 1
1 575 . 1 1 1 A 45 45 LYS CB C 45 35.600 34.677 0.923 1
1 579 . 1 1 1 A 45 45 LYS N N 45 121.090 120.830 0.260 1
1 580 . 1 1 1 A 46 46 LEU H H 46 8.897 9.004 -0.107 1
1 581 . 1 1 1 A 46 46 LEU HA H 46 5.332 5.336 -0.004 1
1 590 . 1 1 1 A 46 46 LEU C C 46 172.666 174.929 -2.263 1
1 591 . 1 1 1 A 46 46 LEU CA C 46 54.510 53.825 0.685 1
1 592 . 1 1 1 A 46 46 LEU CB C 46 44.620 44.779 -0.159 1
1 595 . 1 1 1 A 46 46 LEU N N 46 128.615 129.450 -0.835 1
1 596 . 1 1 1 A 47 47 GLU H H 47 9.220 9.582 -0.362 1
1 597 . 1 1 1 A 47 47 GLU HA H 47 4.911 5.115 -0.204 1
1 602 . 1 1 1 A 47 47 GLU C C 47 172.392 174.900 -2.508 1
1 603 . 1 1 1 A 47 47 GLU CA C 47 54.980 54.535 0.445 1
1 604 . 1 1 1 A 47 47 GLU CB C 47 34.490 33.576 0.914 1
1 606 . 1 1 1 A 47 47 GLU N N 47 125.300 125.691 -0.391 1
1 607 . 1 1 1 A 48 48 PHE H H 48 9.157 8.990 0.167 1
1 608 . 1 1 1 A 48 48 PHE HA H 48 4.302 5.053 -0.751 1
1 616 . 1 1 1 A 48 48 PHE C C 48 171.971 174.583 -2.612 1
1 617 . 1 1 1 A 48 48 PHE CA C 48 58.240 56.721 1.519 1
1 618 . 1 1 1 A 48 48 PHE CB C 48 39.410 41.243 -1.833 1
1 624 . 1 1 1 A 48 48 PHE N N 48 126.911 123.572 3.339 1
1 625 . 1 1 1 A 49 49 LYS H H 49 8.256 8.644 -0.388 1
1 626 . 1 1 1 A 49 49 LYS HA H 49 4.176 4.192 -0.016 1
1 635 . 1 1 1 A 49 49 LYS C C 49 172.030 175.746 -3.716 1
1 636 . 1 1 1 A 49 49 LYS CA C 49 55.244 57.795 -2.551 1
1 637 . 1 1 1 A 49 49 LYS CB C 49 32.640 32.723 -0.083 1
1 641 . 1 1 1 A 49 49 LYS N N 49 127.526 126.910 0.616 1
1 642 . 1 1 1 A 50 50 ASN H H 50 7.062 6.594 0.468 1
1 643 . 1 1 1 A 50 50 ASN HA H 50 4.353 4.765 -0.412 1
1 648 . 1 1 1 A 50 50 ASN C C 50 171.278 172.476 -1.198 1
1 649 . 1 1 1 A 50 50 ASN CA C 50 53.807 52.368 1.439 1
1 650 . 1 1 1 A 50 50 ASN CB C 50 40.460 41.483 -1.023 1
1 651 . 1 1 1 A 50 50 ASN N N 50 115.764 112.195 3.569 1
1 653 . 1 1 1 A 51 51 THR H H 51 8.217 8.589 -0.372 1
1 654 . 1 1 1 A 51 51 THR HA H 51 4.685 5.367 -0.682 1
1 659 . 1 1 1 A 51 51 THR C C 51 171.816 173.179 -1.363 1
1 660 . 1 1 1 A 51 51 THR CA C 51 61.243 59.801 1.442 1
1 661 . 1 1 1 A 51 51 THR CB C 51 70.632 72.275 -1.643 1
1 663 . 1 1 1 A 51 51 THR N N 51 114.341 115.522 -1.181 1
1 664 . 1 1 1 A 52 52 SER H H 52 8.314 8.967 -0.653 1
1 665 . 1 1 1 A 52 52 SER HA H 52 4.395 4.599 -0.204 1
1 668 . 1 1 1 A 52 52 SER CA C 52 58.470 57.954 0.516 1
1 669 . 1 1 1 A 52 52 SER CB C 52 64.580 65.213 -0.633 1
1 670 . 1 1 1 A 52 52 SER N N 52 118.503 119.397 -0.894 1
1 671 . 1 1 1 A 54 54 ASN HA H 54 4.484 4.808 -0.324 1
1 676 . 1 1 1 A 54 54 ASN C C 54 171.753 174.593 -2.840 1
1 677 . 1 1 1 A 54 54 ASN CA C 54 53.296 52.261 1.035 1
1 678 . 1 1 1 A 54 54 ASN CB C 54 38.080 38.201 -0.121 1
1 680 . 1 1 1 A 55 55 ALA H H 55 7.927 8.222 -0.295 1
1 681 . 1 1 1 A 55 55 ALA HA H 55 3.759 4.181 -0.422 1
1 685 . 1 1 1 A 55 55 ALA C C 55 173.386 176.918 -3.532 1
1 686 . 1 1 1 A 55 55 ALA CA C 55 53.266 53.134 0.132 1
1 687 . 1 1 1 A 55 55 ALA CB C 55 18.180 17.438 0.742 1
1 688 . 1 1 1 A 55 55 ALA N N 55 120.429 120.482 -0.053 1
1 689 . 1 1 1 A 56 56 LYS H H 56 7.426 7.231 0.195 1
1 690 . 1 1 1 A 56 56 LYS HA H 56 3.919 3.788 0.131 1
1 702 . 1 1 1 A 56 56 LYS C C 56 172.612 175.522 -2.910 1
1 703 . 1 1 1 A 56 56 LYS CA C 56 57.113 57.587 -0.474 1
1 704 . 1 1 1 A 56 56 LYS CB C 56 33.566 33.129 0.437 1
1 708 . 1 1 1 A 56 56 LYS N N 56 116.392 117.256 -0.864 1
1 710 . 1 1 1 A 57 57 PHE H H 57 7.253 7.772 -0.519 1
1 711 . 1 1 1 A 57 57 PHE HA H 57 5.062 5.038 0.024 1
1 719 . 1 1 1 A 57 57 PHE C C 57 171.527 173.585 -2.058 1
1 720 . 1 1 1 A 57 57 PHE CA C 57 54.920 56.148 -1.228 1
1 721 . 1 1 1 A 57 57 PHE CB C 57 41.910 41.310 0.600 1
1 727 . 1 1 1 A 57 57 PHE N N 57 113.835 116.402 -2.567 1
1 728 . 1 1 1 A 58 58 TYR H H 58 9.172 9.428 -0.256 1
1 729 . 1 1 1 A 58 58 TYR HA H 58 4.746 5.140 -0.394 1
1 736 . 1 1 1 A 58 58 TYR C C 58 171.294 175.183 -3.889 1
1 737 . 1 1 1 A 58 58 TYR CA C 58 57.770 56.995 0.775 1
1 738 . 1 1 1 A 58 58 TYR CB C 58 41.784 40.025 1.759 1
1 743 . 1 1 1 A 58 58 TYR N N 58 121.139 123.549 -2.410 1
1 744 . 1 1 1 A 59 59 SER H H 59 8.786 9.080 -0.294 1
1 745 . 1 1 1 A 59 59 SER HA H 59 5.399 4.741 0.658 1
1 748 . 1 1 1 A 59 59 SER C C 59 170.105 173.600 -3.495 1
1 749 . 1 1 1 A 59 59 SER CA C 59 57.650 58.526 -0.876 1
1 750 . 1 1 1 A 59 59 SER CB C 59 65.220 63.591 1.629 1
1 751 . 1 1 1 A 59 59 SER N N 59 118.511 120.889 -2.378 1
1 752 . 1 1 1 A 60 60 PHE H H 60 9.389 9.559 -0.170 1
1 753 . 1 1 1 A 60 60 PHE HA H 60 5.210 5.183 0.027 1
1 761 . 1 1 1 A 60 60 PHE C C 60 172.188 174.311 -2.123 1
1 762 . 1 1 1 A 60 60 PHE CA C 60 56.824 56.226 0.598 1
1 763 . 1 1 1 A 60 60 PHE CB C 60 43.645 41.799 1.846 1
1 769 . 1 1 1 A 60 60 PHE N N 60 121.864 126.680 -4.816 1
1 770 . 1 1 1 A 61 61 ASN H H 61 9.448 9.422 0.026 1
1 771 . 1 1 1 A 61 61 ASN HA H 61 5.564 5.627 -0.063 1
1 776 . 1 1 1 A 61 61 ASN C C 61 171.756 174.210 -2.454 1
1 777 . 1 1 1 A 61 61 ASN CA C 61 53.012 52.009 1.003 1
1 778 . 1 1 1 A 61 61 ASN CB C 61 42.580 41.829 0.751 1
1 779 . 1 1 1 A 61 61 ASN N N 61 121.107 120.741 0.366 1
1 781 . 1 1 1 A 62 62 VAL H H 62 9.361 9.105 0.256 1
1 782 . 1 1 1 A 62 62 VAL HA H 62 5.159 5.267 -0.108 1
1 790 . 1 1 1 A 62 62 VAL C C 62 171.964 175.325 -3.361 1
1 791 . 1 1 1 A 62 62 VAL CA C 62 60.991 61.101 -0.110 1
1 792 . 1 1 1 A 62 62 VAL CB C 62 35.350 34.595 0.755 1
1 795 . 1 1 1 A 62 62 VAL N N 62 126.781 126.012 0.769 1
1 796 . 1 1 1 A 63 63 SER H H 63 8.750 8.793 -0.043 1
1 797 . 1 1 1 A 63 63 SER HA H 63 5.955 5.662 0.293 1
1 800 . 1 1 1 A 63 63 SER C C 63 171.905 173.182 -1.277 1
1 801 . 1 1 1 A 63 63 SER CA C 63 56.587 57.570 -0.983 1
1 802 . 1 1 1 A 63 63 SER CB C 63 65.231 65.554 -0.323 1
1 803 . 1 1 1 A 63 63 SER N N 63 120.886 124.070 -3.184 1
1 804 . 1 1 1 A 64 64 MET H H 64 8.918 8.914 0.004 1
1 805 . 1 1 1 A 64 64 MET HA H 64 4.622 5.325 -0.703 1
1 813 . 1 1 1 A 64 64 MET C C 64 170.352 174.789 -4.437 1
1 814 . 1 1 1 A 64 64 MET CA C 64 55.950 53.921 2.029 1
1 815 . 1 1 1 A 64 64 MET CB C 64 38.000 35.846 2.154 1
1 818 . 1 1 1 A 64 64 MET N N 64 123.839 122.695 1.144 1
1 819 . 1 1 1 A 65 65 GLU H H 65 9.213 8.451 0.762 1
1 820 . 1 1 1 A 65 65 GLU HA H 65 4.740 4.780 -0.040 1
1 825 . 1 1 1 A 65 65 GLU C C 65 172.659 176.471 -3.812 1
1 826 . 1 1 1 A 65 65 GLU CA C 65 57.547 56.664 0.883 1
1 827 . 1 1 1 A 65 65 GLU CB C 65 31.100 30.258 0.842 1
1 829 . 1 1 1 A 65 65 GLU N N 65 125.938 120.514 5.424 1
1 830 . 1 1 1 A 66 66 VAL H H 66 9.031 9.020 0.011 1
1 831 . 1 1 1 A 66 66 VAL HA H 66 4.632 4.907 -0.275 1
1 839 . 1 1 1 A 66 66 VAL C C 66 174.252 175.771 -1.519 1
1 840 . 1 1 1 A 66 66 VAL CA C 66 59.454 60.716 -1.262 1
1 841 . 1 1 1 A 66 66 VAL CB C 66 35.450 34.384 1.066 1
1 844 . 1 1 1 A 66 66 VAL N N 66 117.398 120.183 -2.785 1
1 845 . 1 1 1 A 67 67 SER H H 67 9.309 9.089 0.220 1
1 846 . 1 1 1 A 67 67 SER HA H 67 4.185 4.594 -0.409 1
1 849 . 1 1 1 A 67 67 SER C C 67 170.646 174.440 -3.794 1
1 850 . 1 1 1 A 67 67 SER CA C 67 61.719 59.509 2.210 1
1 851 . 1 1 1 A 67 67 SER CB C 67 64.540 64.280 0.260 1
1 852 . 1 1 1 A 67 67 SER N N 67 116.754 117.702 -0.948 1
1 853 . 1 1 1 A 68 68 ASN H H 68 7.279 7.232 0.047 1
1 854 . 1 1 1 A 68 68 ASN HA H 68 3.345 4.473 -1.128 1
1 859 . 1 1 1 A 68 68 ASN C C 68 170.781 175.088 -4.307 1
1 860 . 1 1 1 A 68 68 ASN CA C 68 51.758 51.725 0.033 1
1 861 . 1 1 1 A 68 68 ASN CB C 68 38.809 39.810 -1.001 1
1 862 . 1 1 1 A 68 68 ASN N N 68 110.062 115.216 -5.154 1
1 864 . 1 1 1 A 69 69 GLU H H 69 8.126 8.314 -0.188 1
1 865 . 1 1 1 A 69 69 GLU HA H 69 3.337 3.699 -0.362 1
1 870 . 1 1 1 A 69 69 GLU C C 69 174.537 177.575 -3.038 1
1 871 . 1 1 1 A 69 69 GLU CA C 69 59.749 58.783 0.966 1
1 872 . 1 1 1 A 69 69 GLU CB C 69 30.250 28.801 1.449 1
1 874 . 1 1 1 A 69 69 GLU N N 69 120.604 119.760 0.844 1
1 875 . 1 1 1 A 70 70 SER H H 70 7.981 7.537 0.444 1
1 876 . 1 1 1 A 70 70 SER HA H 70 4.030 4.117 -0.087 1
1 879 . 1 1 1 A 70 70 SER C C 70 174.715 177.412 -2.697 1
1 880 . 1 1 1 A 70 70 SER CA C 70 62.097 61.511 0.586 1
1 881 . 1 1 1 A 70 70 SER CB C 70 62.350 62.900 -0.550 1
1 882 . 1 1 1 A 70 70 SER N N 70 114.770 114.704 0.066 1
1 883 . 1 1 1 A 71 71 GLU H H 71 8.572 7.911 0.661 1
1 884 . 1 1 1 A 71 71 GLU HA H 71 3.927 4.036 -0.109 1
1 889 . 1 1 1 A 71 71 GLU C C 71 174.769 179.230 -4.461 1
1 890 . 1 1 1 A 71 71 GLU CA C 71 59.849 59.526 0.323 1
1 891 . 1 1 1 A 71 71 GLU CB C 71 30.950 29.422 1.528 1
1 893 . 1 1 1 A 71 71 GLU N N 71 124.163 121.604 2.559 1
1 894 . 1 1 1 A 72 72 ARG H H 72 7.797 7.556 0.241 1
1 895 . 1 1 1 A 72 72 ARG HA H 72 3.776 4.377 -0.601 1
1 900 . 1 1 1 A 72 72 ARG C C 72 177.552 178.413 -0.861 1
1 901 . 1 1 1 A 72 72 ARG CA C 72 58.680 58.912 -0.232 1
1 902 . 1 1 1 A 72 72 ARG CB C 72 30.110 29.789 0.321 1
1 905 . 1 1 1 A 72 72 ARG N N 72 118.396 120.447 -2.051 1
1 906 . 1 1 1 A 73 73 ASN H H 73 8.175 7.605 0.570 1
1 907 . 1 1 1 A 73 73 ASN HA H 73 4.461 4.640 -0.179 1
1 912 . 1 1 1 A 73 73 ASN C C 73 174.089 177.856 -3.767 1
1 913 . 1 1 1 A 73 73 ASN CA C 73 55.500 55.459 0.041 1
1 914 . 1 1 1 A 73 73 ASN CB C 73 37.844 38.747 -0.903 1
1 915 . 1 1 1 A 73 73 ASN N N 73 118.156 116.887 1.269 1
1 917 . 1 1 1 A 74 74 GLU H H 74 8.473 8.413 0.060 1
1 918 . 1 1 1 A 74 74 GLU HA H 74 3.954 4.324 -0.370 1
1 923 . 1 1 1 A 74 74 GLU C C 74 175.719 179.294 -3.575 1
1 924 . 1 1 1 A 74 74 GLU CA C 74 60.093 59.113 0.980 1
1 925 . 1 1 1 A 74 74 GLU CB C 74 30.460 29.437 1.023 1
1 927 . 1 1 1 A 74 74 GLU N N 74 124.825 117.538 7.287 1
1 928 . 1 1 1 A 75 75 ILE H H 75 8.273 8.060 0.213 1
1 929 . 1 1 1 A 75 75 ILE HA H 75 3.229 3.641 -0.412 1
1 939 . 1 1 1 A 75 75 ILE C C 75 174.591 177.951 -3.360 1
1 940 . 1 1 1 A 75 75 ILE CA C 75 66.460 65.404 1.056 1
1 941 . 1 1 1 A 75 75 ILE CB C 75 38.262 37.592 0.670 1
1 945 . 1 1 1 A 75 75 ILE N N 75 120.282 121.820 -1.538 1
1 946 . 1 1 1 A 76 76 PHE H H 76 7.233 8.447 -1.214 1
1 947 . 1 1 1 A 76 76 PHE HA H 76 3.600 3.996 -0.396 1
1 955 . 1 1 1 A 76 76 PHE C C 76 175.036 177.898 -2.862 1
1 956 . 1 1 1 A 76 76 PHE CA C 76 62.227 60.736 1.491 1
1 957 . 1 1 1 A 76 76 PHE CB C 76 40.170 39.247 0.923 1
1 963 . 1 1 1 A 76 76 PHE N N 76 117.265 119.957 -2.692 1
1 964 . 1 1 1 A 77 77 GLN H H 77 8.262 8.017 0.245 1
1 965 . 1 1 1 A 77 77 GLN HA H 77 3.753 3.806 -0.053 1
1 972 . 1 1 1 A 77 77 GLN C C 77 176.132 178.928 -2.796 1
1 973 . 1 1 1 A 77 77 GLN CA C 77 59.113 59.134 -0.021 1
1 974 . 1 1 1 A 77 77 GLN CB C 77 28.487 28.287 0.200 1
1 976 . 1 1 1 A 77 77 GLN N N 77 118.919 118.264 0.655 1
1 978 . 1 1 1 A 78 78 LYS H H 78 8.508 7.683 0.825 1
1 979 . 1 1 1 A 78 78 LYS HA H 78 3.804 3.984 -0.180 1
1 988 . 1 1 1 A 78 78 LYS C C 78 177.438 179.614 -2.176 1
1 989 . 1 1 1 A 78 78 LYS CA C 78 60.107 59.289 0.818 1
1 990 . 1 1 1 A 78 78 LYS CB C 78 33.160 32.239 0.921 1
1 994 . 1 1 1 A 78 78 LYS N N 78 119.345 120.040 -0.695 1
1 995 . 1 1 1 A 79 79 ILE H H 79 8.395 7.901 0.494 1
1 996 . 1 1 1 A 79 79 ILE HA H 79 3.182 3.705 -0.523 1
1 1006 . 1 1 1 A 79 79 ILE C C 79 174.721 176.779 -2.058 1
1 1007 . 1 1 1 A 79 79 ILE CA C 79 66.280 64.948 1.332 1
1 1008 . 1 1 1 A 79 79 ILE CB C 79 38.360 37.550 0.810 1
1 1012 . 1 1 1 A 79 79 ILE N N 79 120.117 121.067 -0.950 1
1 1013 . 1 1 1 A 80 80 SER H H 80 7.459 7.728 -0.269 1
1 1014 . 1 1 1 A 80 80 SER HA H 80 3.868 4.320 -0.452 1
1 1017 . 1 1 1 A 80 80 SER C C 80 171.998 174.990 -2.992 1
1 1018 . 1 1 1 A 80 80 SER CA C 80 61.444 59.521 1.923 1
1 1019 . 1 1 1 A 80 80 SER CB C 80 63.500 63.339 0.161 1
1 1020 . 1 1 1 A 80 80 SER N N 80 110.857 114.371 -3.514 1
1 1021 . 1 1 1 A 81 81 GLN H H 81 7.095 7.733 -0.638 1
1 1022 . 1 1 1 A 81 81 GLN HA H 81 4.143 4.314 -0.171 1
1 1029 . 1 1 1 A 81 81 GLN C C 81 173.743 177.014 -3.271 1
1 1030 . 1 1 1 A 81 81 GLN CA C 81 55.894 55.874 0.020 1
1 1031 . 1 1 1 A 81 81 GLN CB C 81 29.390 28.983 0.407 1
1 1033 . 1 1 1 A 81 81 GLN N N 81 117.056 119.423 -2.367 1
1 1035 . 1 1 1 A 82 82 LEU H H 82 7.495 7.660 -0.165 1
1 1036 . 1 1 1 A 82 82 LEU HA H 82 4.064 4.124 -0.060 1
1 1046 . 1 1 1 A 82 82 LEU C C 82 175.685 176.372 -0.687 1
1 1047 . 1 1 1 A 82 82 LEU CA C 82 55.730 56.488 -0.758 1
1 1048 . 1 1 1 A 82 82 LEU CB C 82 41.740 42.549 -0.809 1
1 1052 . 1 1 1 A 82 82 LEU N N 82 123.191 119.847 3.344 1
1 1053 . 1 1 1 A 83 83 ASP H H 83 8.330 8.191 0.139 1
1 1054 . 1 1 1 A 83 83 ASP HA H 83 4.260 4.554 -0.294 1
1 1057 . 1 1 1 A 83 83 ASP C C 83 174.543 177.348 -2.805 1
1 1058 . 1 1 1 A 83 83 ASP CA C 83 57.056 55.773 1.283 1
1 1059 . 1 1 1 A 83 83 ASP CB C 83 41.590 40.594 0.996 1
1 1060 . 1 1 1 A 83 83 ASP N N 83 122.600 119.334 3.266 1
1 1061 . 1 1 1 A 84 84 LYS H H 84 8.152 8.135 0.017 1
1 1062 . 1 1 1 A 84 84 LYS HA H 84 4.060 4.309 -0.249 1
1 1071 . 1 1 1 A 84 84 LYS C C 84 172.461 177.035 -4.574 1
1 1072 . 1 1 1 A 84 84 LYS CA C 84 57.301 58.309 -1.008 1
1 1073 . 1 1 1 A 84 84 LYS CB C 84 31.140 32.571 -1.431 1
1 1077 . 1 1 1 A 84 84 LYS N N 84 113.797 117.720 -3.923 1
1 1078 . 1 1 1 A 85 85 VAL H H 85 7.290 7.547 -0.257 1
1 1079 . 1 1 1 A 85 85 VAL HA H 85 4.230 4.522 -0.292 1
1 1087 . 1 1 1 A 85 85 VAL C C 85 173.934 176.109 -2.175 1
1 1088 . 1 1 1 A 85 85 VAL CA C 85 63.300 62.833 0.467 1
1 1089 . 1 1 1 A 85 85 VAL CB C 85 32.320 32.633 -0.313 1
1 1092 . 1 1 1 A 85 85 VAL N N 85 118.733 119.274 -0.541 1
1 1093 . 1 1 1 A 86 86 VAL H H 86 9.093 9.246 -0.153 1
1 1094 . 1 1 1 A 86 86 VAL HA H 86 4.165 4.434 -0.269 1
1 1102 . 1 1 1 A 86 86 VAL C C 86 173.235 175.737 -2.502 1
1 1103 . 1 1 1 A 86 86 VAL CA C 86 62.144 62.208 -0.064 1
1 1104 . 1 1 1 A 86 86 VAL CB C 86 33.397 33.118 0.279 1
1 1107 . 1 1 1 A 86 86 VAL N N 86 125.341 123.616 1.725 1
1 1108 . 1 1 1 A 87 87 GLN H H 87 7.727 7.217 0.510 1
1 1109 . 1 1 1 A 87 87 GLN HA H 87 4.437 4.806 -0.369 1
1 1114 . 1 1 1 A 87 87 GLN C C 87 170.954 173.841 -2.887 1
1 1115 . 1 1 1 A 87 87 GLN CA C 87 56.370 55.545 0.825 1
1 1116 . 1 1 1 A 87 87 GLN CB C 87 32.420 31.628 0.792 1
1 1118 . 1 1 1 A 87 87 GLN N N 87 119.469 120.676 -1.207 1
1 1119 . 1 1 1 A 88 88 THR H H 88 8.087 8.760 -0.673 1
1 1120 . 1 1 1 A 88 88 THR HA H 88 4.857 5.226 -0.369 1
1 1125 . 1 1 1 A 88 88 THR CA C 88 61.850 60.455 1.395 1
1 1126 . 1 1 1 A 88 88 THR CB C 88 69.900 70.190 -0.290 1
1 1128 . 1 1 1 A 88 88 THR N N 88 119.679 117.718 1.961 1
1 1129 . 1 1 1 A 89 89 LEU HA H 89 4.851 4.983 -0.132 1
1 1139 . 1 1 1 A 89 89 LEU C C 89 174.211 176.083 -1.872 1
1 1140 . 1 1 1 A 89 89 LEU CA C 89 54.590 53.414 1.176 1
1 1141 . 1 1 1 A 89 89 LEU CB C 89 44.176 43.022 1.154 1
1 1145 . 1 1 1 A 90 90 GLY H H 90 8.697 8.941 -0.244 1
1 1146 . 1 1 1 A 90 90 GLY HA2 H 90 4.181 3.230 0.951 1
1 1147 . 1 1 1 A 90 90 GLY HA3 H 90 4.267 4.039 0.228 1
1 1148 . 1 1 1 A 90 90 GLY C C 90 170.516 173.899 -3.383 1
1 1149 . 1 1 1 A 90 90 GLY CA C 90 45.810 46.356 -0.546 1
1 1150 . 1 1 1 A 90 90 GLY N N 90 109.859 113.432 -3.573 1
1 1 . 2 1 1 A 2 2 GLY HA2 H 2 3.721 3.925 -0.204 1
1 2 . 2 1 1 A 2 2 GLY HA3 H 2 3.721 3.927 -0.206 1
1 3 . 2 1 1 A 2 2 GLY CA C 2 43.440 45.243 -1.803 1
1 4 . 2 1 1 A 3 3 HIS HA H 3 4.602 4.506 0.096 1
1 9 . 2 1 1 A 3 3 HIS C C 3 172.383 175.037 -2.654 1
1 10 . 2 1 1 A 3 3 HIS CA C 3 56.270 56.025 0.245 1
1 11 . 2 1 1 A 3 3 HIS CB C 3 30.850 30.398 0.452 1
1 14 . 2 1 1 A 4 4 MET H H 4 8.397 8.831 -0.434 1
1 15 . 2 1 1 A 4 4 MET HA H 4 4.720 4.467 0.253 1
1 23 . 2 1 1 A 4 4 MET CA C 4 53.410 55.548 -2.138 1
1 24 . 2 1 1 A 4 4 MET CB C 4 32.550 32.613 -0.063 1
1 27 . 2 1 1 A 4 4 MET N N 4 123.715 121.471 2.244 1
1 28 . 2 1 1 A 5 5 PRO HA H 5 4.340 4.797 -0.457 1
1 35 . 2 1 1 A 5 5 PRO C C 5 174.369 176.031 -1.662 1
1 36 . 2 1 1 A 5 5 PRO CA C 5 63.686 62.878 0.808 1
1 37 . 2 1 1 A 5 5 PRO CB C 5 32.430 33.170 -0.740 1
1 40 . 2 1 1 A 6 6 SER H H 6 8.337 8.075 0.262 1
1 41 . 2 1 1 A 6 6 SER HA H 6 4.299 4.760 -0.461 1
1 44 . 2 1 1 A 6 6 SER C C 6 171.770 174.449 -2.679 1
1 45 . 2 1 1 A 6 6 SER CA C 6 58.800 57.295 1.505 1
1 46 . 2 1 1 A 6 6 SER CB C 6 63.896 65.552 -1.656 1
1 47 . 2 1 1 A 6 6 SER N N 6 115.479 115.885 -0.406 1
1 48 . 2 1 1 A 7 7 ASP H H 7 8.269 9.051 -0.782 1
1 49 . 2 1 1 A 7 7 ASP HA H 7 4.545 4.495 0.050 1
1 52 . 2 1 1 A 7 7 ASP C C 7 173.646 175.868 -2.222 1
1 53 . 2 1 1 A 7 7 ASP CA C 7 54.571 56.498 -1.927 1
1 54 . 2 1 1 A 7 7 ASP CB C 7 41.353 40.588 0.765 1
1 55 . 2 1 1 A 7 7 ASP N N 7 122.367 121.010 1.357 1
1 56 . 2 1 1 A 8 8 SER H H 8 8.126 7.782 0.344 1
1 57 . 2 1 1 A 8 8 SER HA H 8 4.337 4.357 -0.020 1
1 60 . 2 1 1 A 8 8 SER C C 8 171.792 174.841 -3.049 1
1 61 . 2 1 1 A 8 8 SER CA C 8 58.950 58.152 0.798 1
1 62 . 2 1 1 A 8 8 SER CB C 8 64.140 63.484 0.656 1
1 63 . 2 1 1 A 8 8 SER N N 8 116.038 115.946 0.092 1
1 64 . 2 1 1 A 9 9 LYS H H 9 8.400 8.509 -0.109 1
1 65 . 2 1 1 A 9 9 LYS HA H 9 4.225 4.385 -0.160 1
1 74 . 2 1 1 A 9 9 LYS C C 9 173.626 176.743 -3.117 1
1 75 . 2 1 1 A 9 9 LYS CA C 9 56.391 56.316 0.075 1
1 76 . 2 1 1 A 9 9 LYS CB C 9 32.970 33.080 -0.110 1
1 80 . 2 1 1 A 9 9 LYS N N 9 122.400 127.481 -5.081 1
1 81 . 2 1 1 A 10 10 LYS H H 10 8.180 8.477 -0.297 1
1 82 . 2 1 1 A 10 10 LYS HA H 10 4.493 4.488 0.005 1
1 91 . 2 1 1 A 10 10 LYS CA C 10 54.500 54.503 -0.003 1
1 92 . 2 1 1 A 10 10 LYS CB C 10 32.750 31.836 0.914 1
1 96 . 2 1 1 A 10 10 LYS N N 10 123.900 123.390 0.510 1
1 97 . 2 1 1 A 11 11 PRO HA H 11 4.404 4.417 -0.013 1
1 104 . 2 1 1 A 11 11 PRO C C 11 174.099 176.844 -2.745 1
1 105 . 2 1 1 A 11 11 PRO CA C 11 63.451 63.230 0.221 1
1 106 . 2 1 1 A 11 11 PRO CB C 11 32.405 31.974 0.431 1
1 109 . 2 1 1 A 12 12 THR H H 12 8.277 8.401 -0.124 1
1 110 . 2 1 1 A 12 12 THR HA H 12 4.156 4.284 -0.128 1
1 115 . 2 1 1 A 12 12 THR C C 12 171.255 174.470 -3.215 1
1 116 . 2 1 1 A 12 12 THR CA C 12 62.829 63.471 -0.642 1
1 117 . 2 1 1 A 12 12 THR CB C 12 70.113 68.784 1.329 1
1 119 . 2 1 1 A 12 12 THR N N 12 116.775 118.484 -1.709 1
1 120 . 2 1 1 A 13 13 ILE H H 13 8.141 8.971 -0.830 1
1 121 . 2 1 1 A 13 13 ILE HA H 13 3.880 4.493 -0.613 1
1 131 . 2 1 1 A 13 13 ILE C C 13 171.936 176.103 -4.167 1
1 132 . 2 1 1 A 13 13 ILE CA C 13 61.000 60.352 0.648 1
1 133 . 2 1 1 A 13 13 ILE CB C 13 38.957 39.623 -0.666 1
1 137 . 2 1 1 A 13 13 ILE N N 13 126.554 128.540 -1.986 1
1 138 . 2 1 1 A 14 14 ILE H H 14 7.890 8.467 -0.577 1
1 139 . 2 1 1 A 14 14 ILE HA H 14 4.045 4.433 -0.388 1
1 149 . 2 1 1 A 14 14 ILE C C 14 171.624 175.017 -3.393 1
1 150 . 2 1 1 A 14 14 ILE CA C 14 60.132 61.106 -0.974 1
1 151 . 2 1 1 A 14 14 ILE CB C 14 38.760 37.945 0.815 1
1 155 . 2 1 1 A 14 14 ILE N N 14 127.503 127.633 -0.130 1
1 156 . 2 1 1 A 15 15 TYR H H 15 8.185 9.018 -0.833 1
1 165 . 2 1 1 A 15 15 TYR N N 15 123.664 126.568 -2.904 1
1 166 . 2 1 1 A 16 16 PRO HA H 16 5.087 5.539 -0.452 1
1 173 . 2 1 1 A 16 16 PRO C C 16 172.702 175.001 -2.299 1
1 174 . 2 1 1 A 16 16 PRO CA C 16 62.891 62.537 0.354 1
1 175 . 2 1 1 A 16 16 PRO CB C 16 36.288 32.602 3.686 1
1 178 . 2 1 1 A 17 17 CYS H H 17 8.579 8.421 0.158 1
1 179 . 2 1 1 A 17 17 CYS HA H 17 4.924 4.995 -0.071 1
1 182 . 2 1 1 A 17 17 CYS C C 17 169.725 173.544 -3.819 1
1 183 . 2 1 1 A 17 17 CYS CA C 17 55.925 57.615 -1.690 1
1 184 . 2 1 1 A 17 17 CYS CB C 17 31.200 32.075 -0.875 1
1 185 . 2 1 1 A 17 17 CYS N N 17 114.797 119.596 -4.799 1
1 186 . 2 1 1 A 18 18 LEU H H 18 8.449 8.619 -0.170 1
1 187 . 2 1 1 A 18 18 LEU HA H 18 4.336 4.468 -0.132 1
1 197 . 2 1 1 A 18 18 LEU C C 18 172.529 176.137 -3.608 1
1 198 . 2 1 1 A 18 18 LEU CA C 18 55.600 54.946 0.654 1
1 199 . 2 1 1 A 18 18 LEU CB C 18 42.550 40.961 1.589 1
1 203 . 2 1 1 A 18 18 LEU N N 18 122.242 123.366 -1.124 1
1 204 . 2 1 1 A 19 19 TRP H H 19 9.079 9.203 -0.124 1
1 205 . 2 1 1 A 19 19 TRP HA H 19 4.300 5.008 -0.708 1
1 214 . 2 1 1 A 19 19 TRP C C 19 170.195 174.573 -4.378 1
1 215 . 2 1 1 A 19 19 TRP CA C 19 56.750 56.829 -0.079 1
1 216 . 2 1 1 A 19 19 TRP CB C 19 33.935 31.195 2.740 1
1 222 . 2 1 1 A 19 19 TRP N N 19 130.082 127.951 2.131 1
1 224 . 2 1 1 A 20 20 ASP H H 20 6.314 8.172 -1.858 1
1 225 . 2 1 1 A 20 20 ASP HA H 20 5.559 5.512 0.047 1
1 228 . 2 1 1 A 20 20 ASP C C 20 172.285 173.936 -1.651 1
1 229 . 2 1 1 A 20 20 ASP CA C 20 52.900 52.818 0.082 1
1 230 . 2 1 1 A 20 20 ASP CB C 20 43.450 44.118 -0.668 1
1 231 . 2 1 1 A 20 20 ASP N N 20 122.801 128.526 -5.725 1
1 232 . 2 1 1 A 21 21 TYR H H 21 9.519 9.779 -0.260 1
1 233 . 2 1 1 A 21 21 TYR HA H 21 4.975 5.318 -0.343 1
1 240 . 2 1 1 A 21 21 TYR C C 21 172.202 174.699 -2.497 1
1 241 . 2 1 1 A 21 21 TYR CA C 21 56.910 56.564 0.346 1
1 242 . 2 1 1 A 21 21 TYR CB C 21 40.850 41.974 -1.124 1
1 247 . 2 1 1 A 21 21 TYR N N 21 120.749 125.088 -4.339 1
1 248 . 2 1 1 A 22 22 ARG H H 22 8.758 9.041 -0.283 1
1 249 . 2 1 1 A 22 22 ARG HA H 22 5.189 4.772 0.417 1
1 256 . 2 1 1 A 22 22 ARG C C 22 172.210 175.242 -3.032 1
1 257 . 2 1 1 A 22 22 ARG CA C 22 55.180 55.573 -0.393 1
1 258 . 2 1 1 A 22 22 ARG CB C 22 31.360 31.333 0.027 1
1 261 . 2 1 1 A 22 22 ARG N N 22 124.405 124.898 -0.493 1
1 262 . 2 1 1 A 23 23 VAL H H 23 9.170 8.843 0.327 1
1 263 . 2 1 1 A 23 23 VAL HA H 23 4.591 4.877 -0.286 1
1 271 . 2 1 1 A 23 23 VAL C C 23 171.354 174.779 -3.425 1
1 272 . 2 1 1 A 23 23 VAL CA C 23 61.836 61.597 0.239 1
1 273 . 2 1 1 A 23 23 VAL CB C 23 35.725 33.313 2.412 1
1 276 . 2 1 1 A 23 23 VAL N N 23 125.900 127.266 -1.366 1
1 277 . 2 1 1 A 24 24 ILE H H 24 8.919 9.165 -0.246 1
1 278 . 2 1 1 A 24 24 ILE HA H 24 5.119 5.050 0.069 1
1 288 . 2 1 1 A 24 24 ILE C C 24 173.492 175.148 -1.656 1
1 289 . 2 1 1 A 24 24 ILE CA C 24 60.567 60.380 0.187 1
1 290 . 2 1 1 A 24 24 ILE CB C 24 38.346 39.258 -0.912 1
1 294 . 2 1 1 A 24 24 ILE N N 24 127.789 129.488 -1.699 1
1 295 . 2 1 1 A 25 25 MET H H 25 9.857 9.227 0.630 1
1 296 . 2 1 1 A 25 25 MET HA H 25 6.017 5.377 0.640 1
1 304 . 2 1 1 A 25 25 MET C C 25 174.379 177.038 -2.659 1
1 305 . 2 1 1 A 25 25 MET CA C 25 54.898 54.337 0.561 1
1 306 . 2 1 1 A 25 25 MET CB C 25 40.260 35.857 4.403 1
1 309 . 2 1 1 A 25 25 MET N N 25 124.403 126.464 -2.061 1
1 310 . 2 1 1 A 26 26 THR H H 26 8.843 8.801 0.042 1
1 311 . 2 1 1 A 26 26 THR HA H 26 4.875 4.916 -0.041 1
1 316 . 2 1 1 A 26 26 THR C C 26 170.849 174.042 -3.193 1
1 317 . 2 1 1 A 26 26 THR CA C 26 61.826 61.500 0.326 1
1 318 . 2 1 1 A 26 26 THR CB C 26 68.846 68.591 0.255 1
1 320 . 2 1 1 A 26 26 THR N N 26 108.669 113.477 -4.808 1
1 321 . 2 1 1 A 27 27 THR H H 27 7.342 7.902 -0.560 1
1 322 . 2 1 1 A 27 27 THR HA H 27 4.618 4.829 -0.211 1
1 327 . 2 1 1 A 27 27 THR C C 27 166.898 172.785 -5.887 1
1 328 . 2 1 1 A 27 27 THR CA C 27 58.657 60.687 -2.030 1
1 329 . 2 1 1 A 27 27 THR CB C 27 69.696 69.815 -0.119 1
1 331 . 2 1 1 A 27 27 THR N N 27 114.866 114.437 0.429 1
1 332 . 2 1 1 A 28 28 LYS H H 28 7.638 8.609 -0.971 1
1 333 . 2 1 1 A 28 28 LYS HA H 28 3.991 4.739 -0.748 1
1 342 . 2 1 1 A 28 28 LYS C C 28 173.190 176.302 -3.112 1
1 343 . 2 1 1 A 28 28 LYS CA C 28 55.731 56.214 -0.483 1
1 344 . 2 1 1 A 28 28 LYS CB C 28 32.790 32.543 0.247 1
1 348 . 2 1 1 A 28 28 LYS N N 28 121.283 124.188 -2.905 1
1 349 . 2 1 1 A 29 29 ASP H H 29 8.184 7.847 0.337 1
1 350 . 2 1 1 A 29 29 ASP HA H 29 4.401 4.600 -0.199 1
1 353 . 2 1 1 A 29 29 ASP C C 29 173.830 174.652 -0.822 1
1 354 . 2 1 1 A 29 29 ASP CA C 29 53.979 53.179 0.800 1
1 355 . 2 1 1 A 29 29 ASP CB C 29 40.730 39.906 0.824 1
1 356 . 2 1 1 A 29 29 ASP N N 29 120.231 122.547 -2.316 1
1 357 . 2 1 1 A 30 30 THR H H 30 7.830 8.479 -0.649 1
1 358 . 2 1 1 A 30 30 THR HA H 30 3.742 4.633 -0.891 1
1 363 . 2 1 1 A 30 30 THR C C 30 172.987 173.366 -0.379 1
1 364 . 2 1 1 A 30 30 THR CA C 30 61.299 60.250 1.049 1
1 365 . 2 1 1 A 30 30 THR CB C 30 69.294 68.278 1.016 1
1 367 . 2 1 1 A 30 30 THR N N 30 115.459 120.858 -5.399 1
1 368 . 2 1 1 A 31 31 SER H H 31 8.561 8.651 -0.090 1
1 369 . 2 1 1 A 31 31 SER HA H 31 3.875 4.672 -0.797 1
1 372 . 2 1 1 A 31 31 SER CA C 31 63.520 59.814 3.706 1
1 373 . 2 1 1 A 31 31 SER CB C 31 62.332 64.639 -2.307 1
1 374 . 2 1 1 A 31 31 SER N N 31 119.763 124.299 -4.536 1
1 375 . 2 1 1 A 32 32 THR HA H 32 3.961 4.018 -0.057 1
1 380 . 2 1 1 A 32 32 THR C C 32 173.850 176.241 -2.391 1
1 381 . 2 1 1 A 32 32 THR CA C 32 65.447 66.829 -1.382 1
1 382 . 2 1 1 A 32 32 THR CB C 32 68.715 67.893 0.822 1
1 384 . 2 1 1 A 33 33 LEU H H 33 7.209 7.998 -0.789 1
1 385 . 2 1 1 A 33 33 LEU HA H 33 3.950 3.895 0.055 1
1 395 . 2 1 1 A 33 33 LEU C C 33 174.505 178.413 -3.908 1
1 396 . 2 1 1 A 33 33 LEU CA C 33 57.653 58.399 -0.746 1
1 397 . 2 1 1 A 33 33 LEU CB C 33 42.210 41.126 1.084 1
1 401 . 2 1 1 A 33 33 LEU N N 33 125.158 121.657 3.501 1
1 402 . 2 1 1 A 34 34 LYS H H 34 8.671 8.015 0.656 1
1 403 . 2 1 1 A 34 34 LYS HA H 34 3.552 3.760 -0.208 1
1 412 . 2 1 1 A 34 34 LYS C C 34 174.794 179.756 -4.962 1
1 413 . 2 1 1 A 34 34 LYS CA C 34 61.226 59.910 1.316 1
1 414 . 2 1 1 A 34 34 LYS CB C 34 32.880 32.110 0.770 1
1 418 . 2 1 1 A 34 34 LYS N N 34 119.112 118.498 0.614 1
1 419 . 2 1 1 A 35 35 GLU H H 35 7.813 7.991 -0.178 1
1 420 . 2 1 1 A 35 35 GLU HA H 35 3.863 4.020 -0.157 1
1 425 . 2 1 1 A 35 35 GLU C C 35 176.222 179.074 -2.852 1
1 426 . 2 1 1 A 35 35 GLU CA C 35 59.721 59.068 0.653 1
1 427 . 2 1 1 A 35 35 GLU CB C 35 29.898 29.249 0.649 1
1 429 . 2 1 1 A 35 35 GLU N N 35 116.554 120.199 -3.645 1
1 430 . 2 1 1 A 36 36 LEU H H 36 7.153 7.764 -0.611 1
1 431 . 2 1 1 A 36 36 LEU HA H 36 4.175 3.942 0.233 1
1 441 . 2 1 1 A 36 36 LEU C C 36 177.281 179.052 -1.771 1
1 442 . 2 1 1 A 36 36 LEU CA C 36 58.018 58.011 0.007 1
1 443 . 2 1 1 A 36 36 LEU CB C 36 41.720 41.160 0.560 1
1 447 . 2 1 1 A 36 36 LEU N N 36 119.071 118.772 0.299 1
1 448 . 2 1 1 A 37 37 LEU H H 37 8.245 7.679 0.566 1
1 449 . 2 1 1 A 37 37 LEU HA H 37 3.749 4.028 -0.279 1
1 459 . 2 1 1 A 37 37 LEU C C 37 177.903 179.597 -1.694 1
1 460 . 2 1 1 A 37 37 LEU CA C 37 58.278 57.756 0.522 1
1 461 . 2 1 1 A 37 37 LEU CB C 37 39.600 40.800 -1.200 1
1 465 . 2 1 1 A 37 37 LEU N N 37 121.326 118.911 2.415 1
1 466 . 2 1 1 A 38 38 GLU H H 38 8.641 8.458 0.183 1
1 467 . 2 1 1 A 38 38 GLU HA H 38 4.320 4.207 0.113 1
1 472 . 2 1 1 A 38 38 GLU C C 38 177.074 179.552 -2.478 1
1 473 . 2 1 1 A 38 38 GLU CA C 38 59.619 59.650 -0.031 1
1 474 . 2 1 1 A 38 38 GLU CB C 38 29.850 28.880 0.970 1
1 476 . 2 1 1 A 38 38 GLU N N 38 119.504 119.238 0.266 1
1 477 . 2 1 1 A 39 39 THR H H 39 7.653 7.711 -0.058 1
1 478 . 2 1 1 A 39 39 THR HA H 39 4.097 4.084 0.013 1
1 483 . 2 1 1 A 39 39 THR C C 39 173.229 175.211 -1.982 1
1 484 . 2 1 1 A 39 39 THR CA C 39 65.080 64.605 0.475 1
1 485 . 2 1 1 A 39 39 THR CB C 39 69.952 68.535 1.417 1
1 487 . 2 1 1 A 39 39 THR N N 39 110.838 113.493 -2.655 1
1 488 . 2 1 1 A 40 40 TYR H H 40 7.478 7.456 0.022 1
1 489 . 2 1 1 A 40 40 TYR HA H 40 4.073 4.649 -0.576 1
1 496 . 2 1 1 A 40 40 TYR C C 40 172.486 175.070 -2.584 1
1 497 . 2 1 1 A 40 40 TYR CA C 40 61.549 57.655 3.894 1
1 498 . 2 1 1 A 40 40 TYR CB C 40 37.140 38.955 -1.815 1
1 503 . 2 1 1 A 40 40 TYR N N 40 118.654 119.926 -1.272 1
1 504 . 2 1 1 A 41 41 GLN H H 41 7.901 8.071 -0.170 1
1 505 . 2 1 1 A 41 41 GLN HA H 41 3.963 3.890 0.073 1
1 512 . 2 1 1 A 41 41 GLN C C 41 171.223 174.234 -3.011 1
1 513 . 2 1 1 A 41 41 GLN CA C 41 57.158 57.133 0.025 1
1 514 . 2 1 1 A 41 41 GLN CB C 41 27.330 26.337 0.993 1
1 516 . 2 1 1 A 41 41 GLN N N 41 116.315 116.654 -0.339 1
1 518 . 2 1 1 A 42 42 ARG H H 42 8.493 7.759 0.734 1
1 519 . 2 1 1 A 42 42 ARG HA H 42 5.052 5.055 -0.003 1
1 527 . 2 1 1 A 42 42 ARG CA C 42 54.040 53.614 0.426 1
1 528 . 2 1 1 A 42 42 ARG CB C 42 30.650 32.691 -2.041 1
1 531 . 2 1 1 A 42 42 ARG N N 42 115.494 115.093 0.401 1
1 533 . 2 1 1 A 43 43 PRO HA H 43 4.390 4.915 -0.525 1
1 540 . 2 1 1 A 43 43 PRO C C 43 172.836 176.528 -3.692 1
1 541 . 2 1 1 A 43 43 PRO CA C 43 63.574 62.520 1.054 1
1 542 . 2 1 1 A 43 43 PRO CB C 43 32.500 33.004 -0.504 1
1 545 . 2 1 1 A 44 44 PHE H H 44 7.742 8.648 -0.906 1
1 546 . 2 1 1 A 44 44 PHE HA H 44 5.281 5.651 -0.370 1
1 554 . 2 1 1 A 44 44 PHE C C 44 170.840 172.522 -1.682 1
1 555 . 2 1 1 A 44 44 PHE CA C 44 56.174 55.798 0.376 1
1 556 . 2 1 1 A 44 44 PHE CB C 44 42.280 42.297 -0.017 1
1 562 . 2 1 1 A 44 44 PHE N N 44 115.046 118.411 -3.365 1
1 563 . 2 1 1 A 45 45 LYS H H 45 8.944 9.331 -0.387 1
1 564 . 2 1 1 A 45 45 LYS HA H 45 4.641 4.713 -0.072 1
1 573 . 2 1 1 A 45 45 LYS C C 45 171.934 174.638 -2.704 1
1 574 . 2 1 1 A 45 45 LYS CA C 45 55.210 55.134 0.076 1
1 575 . 2 1 1 A 45 45 LYS CB C 45 35.600 33.800 1.800 1
1 579 . 2 1 1 A 45 45 LYS N N 45 121.090 121.316 -0.226 1
1 580 . 2 1 1 A 46 46 LEU H H 46 8.897 8.955 -0.058 1
1 581 . 2 1 1 A 46 46 LEU HA H 46 5.332 5.561 -0.229 1
1 590 . 2 1 1 A 46 46 LEU C C 46 172.666 175.373 -2.707 1
1 591 . 2 1 1 A 46 46 LEU CA C 46 54.510 54.376 0.134 1
1 592 . 2 1 1 A 46 46 LEU CB C 46 44.620 44.137 0.483 1
1 595 . 2 1 1 A 46 46 LEU N N 46 128.615 129.252 -0.637 1
1 596 . 2 1 1 A 47 47 GLU H H 47 9.220 8.747 0.473 1
1 597 . 2 1 1 A 47 47 GLU HA H 47 4.911 5.022 -0.111 1
1 602 . 2 1 1 A 47 47 GLU C C 47 172.392 174.529 -2.137 1
1 603 . 2 1 1 A 47 47 GLU CA C 47 54.980 54.769 0.211 1
1 604 . 2 1 1 A 47 47 GLU CB C 47 34.490 34.683 -0.193 1
1 606 . 2 1 1 A 47 47 GLU N N 47 125.300 124.825 0.475 1
1 607 . 2 1 1 A 48 48 PHE H H 48 9.157 9.159 -0.002 1
1 608 . 2 1 1 A 48 48 PHE HA H 48 4.302 4.856 -0.554 1
1 616 . 2 1 1 A 48 48 PHE C C 48 171.971 174.812 -2.841 1
1 617 . 2 1 1 A 48 48 PHE CA C 48 58.240 57.165 1.075 1
1 618 . 2 1 1 A 48 48 PHE CB C 48 39.410 39.637 -0.227 1
1 624 . 2 1 1 A 48 48 PHE N N 48 126.911 123.956 2.955 1
1 625 . 2 1 1 A 49 49 LYS H H 49 8.256 8.623 -0.367 1
1 626 . 2 1 1 A 49 49 LYS HA H 49 4.176 4.053 0.123 1
1 635 . 2 1 1 A 49 49 LYS C C 49 172.030 176.527 -4.497 1
1 636 . 2 1 1 A 49 49 LYS CA C 49 55.244 58.078 -2.834 1
1 637 . 2 1 1 A 49 49 LYS CB C 49 32.640 32.618 0.022 1
1 641 . 2 1 1 A 49 49 LYS N N 49 127.526 127.140 0.386 1
1 642 . 2 1 1 A 50 50 ASN H H 50 7.062 7.285 -0.223 1
1 643 . 2 1 1 A 50 50 ASN HA H 50 4.353 4.985 -0.632 1
1 648 . 2 1 1 A 50 50 ASN C C 50 171.278 172.801 -1.523 1
1 649 . 2 1 1 A 50 50 ASN CA C 50 53.807 51.797 2.010 1
1 650 . 2 1 1 A 50 50 ASN CB C 50 40.460 42.664 -2.204 1
1 651 . 2 1 1 A 50 50 ASN N N 50 115.764 113.884 1.880 1
1 653 . 2 1 1 A 51 51 THR H H 51 8.217 8.641 -0.424 1
1 654 . 2 1 1 A 51 51 THR HA H 51 4.685 5.286 -0.601 1
1 659 . 2 1 1 A 51 51 THR C C 51 171.816 173.271 -1.455 1
1 660 . 2 1 1 A 51 51 THR CA C 51 61.243 59.855 1.388 1
1 661 . 2 1 1 A 51 51 THR CB C 51 70.632 71.981 -1.349 1
1 663 . 2 1 1 A 51 51 THR N N 51 114.341 115.197 -0.856 1
1 664 . 2 1 1 A 52 52 SER H H 52 8.314 8.622 -0.308 1
1 665 . 2 1 1 A 52 52 SER HA H 52 4.395 4.531 -0.136 1
1 668 . 2 1 1 A 52 52 SER CA C 52 58.470 58.533 -0.063 1
1 669 . 2 1 1 A 52 52 SER CB C 52 64.580 64.291 0.289 1
1 670 . 2 1 1 A 52 52 SER N N 52 118.503 121.304 -2.801 1
1 671 . 2 1 1 A 54 54 ASN HA H 54 4.484 4.847 -0.363 1
1 676 . 2 1 1 A 54 54 ASN C C 54 171.753 174.338 -2.585 1
1 677 . 2 1 1 A 54 54 ASN CA C 54 53.296 52.876 0.420 1
1 678 . 2 1 1 A 54 54 ASN CB C 54 38.080 38.447 -0.367 1
1 680 . 2 1 1 A 55 55 ALA H H 55 7.927 7.931 -0.004 1
1 681 . 2 1 1 A 55 55 ALA HA H 55 3.759 4.262 -0.503 1
1 685 . 2 1 1 A 55 55 ALA C C 55 173.386 176.989 -3.603 1
1 686 . 2 1 1 A 55 55 ALA CA C 55 53.266 53.167 0.099 1
1 687 . 2 1 1 A 55 55 ALA CB C 55 18.180 18.157 0.023 1
1 688 . 2 1 1 A 55 55 ALA N N 55 120.429 120.163 0.266 1
1 689 . 2 1 1 A 56 56 LYS H H 56 7.426 7.527 -0.101 1
1 690 . 2 1 1 A 56 56 LYS HA H 56 3.919 3.820 0.099 1
1 702 . 2 1 1 A 56 56 LYS C C 56 172.612 175.818 -3.206 1
1 703 . 2 1 1 A 56 56 LYS CA C 56 57.113 57.892 -0.779 1
1 704 . 2 1 1 A 56 56 LYS CB C 56 33.566 32.892 0.674 1
1 708 . 2 1 1 A 56 56 LYS N N 56 116.392 117.567 -1.175 1
1 710 . 2 1 1 A 57 57 PHE H H 57 7.253 7.685 -0.432 1
1 711 . 2 1 1 A 57 57 PHE HA H 57 5.062 5.134 -0.072 1
1 719 . 2 1 1 A 57 57 PHE C C 57 171.527 173.716 -2.189 1
1 720 . 2 1 1 A 57 57 PHE CA C 57 54.920 56.225 -1.305 1
1 721 . 2 1 1 A 57 57 PHE CB C 57 41.910 41.395 0.515 1
1 727 . 2 1 1 A 57 57 PHE N N 57 113.835 116.363 -2.528 1
1 728 . 2 1 1 A 58 58 TYR H H 58 9.172 9.549 -0.377 1
1 729 . 2 1 1 A 58 58 TYR HA H 58 4.746 5.128 -0.382 1
1 736 . 2 1 1 A 58 58 TYR C C 58 171.294 175.068 -3.774 1
1 737 . 2 1 1 A 58 58 TYR CA C 58 57.770 56.768 1.002 1
1 738 . 2 1 1 A 58 58 TYR CB C 58 41.784 40.612 1.172 1
1 743 . 2 1 1 A 58 58 TYR N N 58 121.139 123.070 -1.931 1
1 744 . 2 1 1 A 59 59 SER H H 59 8.786 8.843 -0.057 1
1 745 . 2 1 1 A 59 59 SER HA H 59 5.399 4.896 0.503 1
1 748 . 2 1 1 A 59 59 SER C C 59 170.105 173.439 -3.334 1
1 749 . 2 1 1 A 59 59 SER CA C 59 57.650 58.210 -0.560 1
1 750 . 2 1 1 A 59 59 SER CB C 59 65.220 63.750 1.470 1
1 751 . 2 1 1 A 59 59 SER N N 59 118.511 120.568 -2.057 1
1 752 . 2 1 1 A 60 60 PHE H H 60 9.389 9.691 -0.302 1
1 753 . 2 1 1 A 60 60 PHE HA H 60 5.210 5.201 0.009 1
1 761 . 2 1 1 A 60 60 PHE C C 60 172.188 174.210 -2.022 1
1 762 . 2 1 1 A 60 60 PHE CA C 60 56.824 56.254 0.570 1
1 763 . 2 1 1 A 60 60 PHE CB C 60 43.645 42.597 1.048 1
1 769 . 2 1 1 A 60 60 PHE N N 60 121.864 125.247 -3.383 1
1 770 . 2 1 1 A 61 61 ASN H H 61 9.448 9.439 0.009 1
1 771 . 2 1 1 A 61 61 ASN HA H 61 5.564 5.614 -0.050 1
1 776 . 2 1 1 A 61 61 ASN C C 61 171.756 174.084 -2.328 1
1 777 . 2 1 1 A 61 61 ASN CA C 61 53.012 52.049 0.963 1
1 778 . 2 1 1 A 61 61 ASN CB C 61 42.580 41.759 0.821 1
1 779 . 2 1 1 A 61 61 ASN N N 61 121.107 119.268 1.839 1
1 781 . 2 1 1 A 62 62 VAL H H 62 9.361 8.903 0.458 1
1 782 . 2 1 1 A 62 62 VAL HA H 62 5.159 4.981 0.178 1
1 790 . 2 1 1 A 62 62 VAL C C 62 171.964 175.080 -3.116 1
1 791 . 2 1 1 A 62 62 VAL CA C 62 60.991 61.414 -0.423 1
1 792 . 2 1 1 A 62 62 VAL CB C 62 35.350 34.061 1.289 1
1 795 . 2 1 1 A 62 62 VAL N N 62 126.781 126.208 0.573 1
1 796 . 2 1 1 A 63 63 SER H H 63 8.750 8.867 -0.117 1
1 797 . 2 1 1 A 63 63 SER HA H 63 5.955 5.847 0.108 1
1 800 . 2 1 1 A 63 63 SER C C 63 171.905 173.320 -1.415 1
1 801 . 2 1 1 A 63 63 SER CA C 63 56.587 57.636 -1.049 1
1 802 . 2 1 1 A 63 63 SER CB C 63 65.231 65.145 0.086 1
1 803 . 2 1 1 A 63 63 SER N N 63 120.886 125.267 -4.381 1
1 804 . 2 1 1 A 64 64 MET H H 64 8.918 9.113 -0.195 1
1 805 . 2 1 1 A 64 64 MET HA H 64 4.622 5.349 -0.727 1
1 813 . 2 1 1 A 64 64 MET C C 64 170.352 175.437 -5.085 1
1 814 . 2 1 1 A 64 64 MET CA C 64 55.950 53.813 2.137 1
1 815 . 2 1 1 A 64 64 MET CB C 64 38.000 35.879 2.121 1
1 818 . 2 1 1 A 64 64 MET N N 64 123.839 122.794 1.045 1
1 819 . 2 1 1 A 65 65 GLU H H 65 9.213 8.690 0.523 1
1 820 . 2 1 1 A 65 65 GLU HA H 65 4.740 4.949 -0.209 1
1 825 . 2 1 1 A 65 65 GLU C C 65 172.659 176.268 -3.609 1
1 826 . 2 1 1 A 65 65 GLU CA C 65 57.547 56.824 0.723 1
1 827 . 2 1 1 A 65 65 GLU CB C 65 31.100 30.018 1.082 1
1 829 . 2 1 1 A 65 65 GLU N N 65 125.938 121.453 4.485 1
1 830 . 2 1 1 A 66 66 VAL H H 66 9.031 9.009 0.022 1
1 831 . 2 1 1 A 66 66 VAL HA H 66 4.632 4.761 -0.129 1
1 839 . 2 1 1 A 66 66 VAL C C 66 174.252 175.970 -1.718 1
1 840 . 2 1 1 A 66 66 VAL CA C 66 59.454 60.248 -0.794 1
1 841 . 2 1 1 A 66 66 VAL CB C 66 35.450 34.637 0.813 1
1 844 . 2 1 1 A 66 66 VAL N N 66 117.398 119.115 -1.717 1
1 845 . 2 1 1 A 67 67 SER H H 67 9.309 9.204 0.105 1
1 846 . 2 1 1 A 67 67 SER HA H 67 4.185 4.530 -0.345 1
1 849 . 2 1 1 A 67 67 SER C C 67 170.646 174.790 -4.144 1
1 850 . 2 1 1 A 67 67 SER CA C 67 61.719 60.159 1.560 1
1 851 . 2 1 1 A 67 67 SER CB C 67 64.540 64.034 0.506 1
1 852 . 2 1 1 A 67 67 SER N N 67 116.754 120.149 -3.395 1
1 853 . 2 1 1 A 68 68 ASN H H 68 7.279 7.750 -0.471 1
1 854 . 2 1 1 A 68 68 ASN HA H 68 3.345 4.107 -0.762 1
1 859 . 2 1 1 A 68 68 ASN C C 68 170.781 175.129 -4.348 1
1 860 . 2 1 1 A 68 68 ASN CA C 68 51.758 51.928 -0.170 1
1 861 . 2 1 1 A 68 68 ASN CB C 68 38.809 39.280 -0.471 1
1 862 . 2 1 1 A 68 68 ASN N N 68 110.062 115.108 -5.046 1
1 864 . 2 1 1 A 69 69 GLU H H 69 8.126 8.449 -0.323 1
1 865 . 2 1 1 A 69 69 GLU HA H 69 3.337 3.737 -0.400 1
1 870 . 2 1 1 A 69 69 GLU C C 69 174.537 177.882 -3.345 1
1 871 . 2 1 1 A 69 69 GLU CA C 69 59.749 59.245 0.504 1
1 872 . 2 1 1 A 69 69 GLU CB C 69 30.250 29.056 1.194 1
1 874 . 2 1 1 A 69 69 GLU N N 69 120.604 119.607 0.997 1
1 875 . 2 1 1 A 70 70 SER H H 70 7.981 8.043 -0.062 1
1 876 . 2 1 1 A 70 70 SER HA H 70 4.030 4.067 -0.037 1
1 879 . 2 1 1 A 70 70 SER C C 70 174.715 176.777 -2.062 1
1 880 . 2 1 1 A 70 70 SER CA C 70 62.097 61.569 0.528 1
1 881 . 2 1 1 A 70 70 SER CB C 70 62.350 62.810 -0.460 1
1 882 . 2 1 1 A 70 70 SER N N 70 114.770 117.259 -2.489 1
1 883 . 2 1 1 A 71 71 GLU H H 71 8.572 7.263 1.309 1
1 884 . 2 1 1 A 71 71 GLU HA H 71 3.927 4.178 -0.251 1
1 889 . 2 1 1 A 71 71 GLU C C 71 174.769 179.110 -4.341 1
1 890 . 2 1 1 A 71 71 GLU CA C 71 59.849 59.207 0.642 1
1 891 . 2 1 1 A 71 71 GLU CB C 71 30.950 29.074 1.876 1
1 893 . 2 1 1 A 71 71 GLU N N 71 124.163 121.721 2.442 1
1 894 . 2 1 1 A 72 72 ARG H H 72 7.797 7.591 0.206 1
1 895 . 2 1 1 A 72 72 ARG HA H 72 3.776 4.491 -0.715 1
1 900 . 2 1 1 A 72 72 ARG C C 72 177.552 178.880 -1.328 1
1 901 . 2 1 1 A 72 72 ARG CA C 72 58.680 59.239 -0.559 1
1 902 . 2 1 1 A 72 72 ARG CB C 72 30.110 29.572 0.538 1
1 905 . 2 1 1 A 72 72 ARG N N 72 118.396 120.934 -2.538 1
1 906 . 2 1 1 A 73 73 ASN H H 73 8.175 8.264 -0.089 1
1 907 . 2 1 1 A 73 73 ASN HA H 73 4.461 4.547 -0.086 1
1 912 . 2 1 1 A 73 73 ASN C C 73 174.089 178.031 -3.942 1
1 913 . 2 1 1 A 73 73 ASN CA C 73 55.500 55.985 -0.485 1
1 914 . 2 1 1 A 73 73 ASN CB C 73 37.844 38.177 -0.333 1
1 915 . 2 1 1 A 73 73 ASN N N 73 118.156 118.106 0.050 1
1 917 . 2 1 1 A 74 74 GLU H H 74 8.473 8.097 0.376 1
1 918 . 2 1 1 A 74 74 GLU HA H 74 3.954 4.083 -0.129 1
1 923 . 2 1 1 A 74 74 GLU C C 74 175.719 179.089 -3.370 1
1 924 . 2 1 1 A 74 74 GLU CA C 74 60.093 59.118 0.975 1
1 925 . 2 1 1 A 74 74 GLU CB C 74 30.460 29.658 0.802 1
1 927 . 2 1 1 A 74 74 GLU N N 74 124.825 119.785 5.040 1
1 928 . 2 1 1 A 75 75 ILE H H 75 8.273 8.336 -0.063 1
1 929 . 2 1 1 A 75 75 ILE HA H 75 3.229 3.635 -0.406 1
1 939 . 2 1 1 A 75 75 ILE C C 75 174.591 178.019 -3.428 1
1 940 . 2 1 1 A 75 75 ILE CA C 75 66.460 65.465 0.995 1
1 941 . 2 1 1 A 75 75 ILE CB C 75 38.262 37.642 0.620 1
1 945 . 2 1 1 A 75 75 ILE N N 75 120.282 120.037 0.245 1
1 946 . 2 1 1 A 76 76 PHE H H 76 7.233 8.107 -0.874 1
1 947 . 2 1 1 A 76 76 PHE HA H 76 3.600 3.941 -0.341 1
1 955 . 2 1 1 A 76 76 PHE C C 76 175.036 177.803 -2.767 1
1 956 . 2 1 1 A 76 76 PHE CA C 76 62.227 61.709 0.518 1
1 957 . 2 1 1 A 76 76 PHE CB C 76 40.170 39.328 0.842 1
1 963 . 2 1 1 A 76 76 PHE N N 76 117.265 120.471 -3.206 1
1 964 . 2 1 1 A 77 77 GLN H H 77 8.262 8.179 0.083 1
1 965 . 2 1 1 A 77 77 GLN HA H 77 3.753 3.819 -0.066 1
1 972 . 2 1 1 A 77 77 GLN C C 77 176.132 178.891 -2.759 1
1 973 . 2 1 1 A 77 77 GLN CA C 77 59.113 59.469 -0.356 1
1 974 . 2 1 1 A 77 77 GLN CB C 77 28.487 28.533 -0.046 1
1 976 . 2 1 1 A 77 77 GLN N N 77 118.919 118.142 0.777 1
1 978 . 2 1 1 A 78 78 LYS H H 78 8.508 7.960 0.548 1
1 979 . 2 1 1 A 78 78 LYS HA H 78 3.804 4.109 -0.305 1
1 988 . 2 1 1 A 78 78 LYS C C 78 177.438 179.331 -1.893 1
1 989 . 2 1 1 A 78 78 LYS CA C 78 60.107 59.330 0.777 1
1 990 . 2 1 1 A 78 78 LYS CB C 78 33.160 32.614 0.546 1
1 994 . 2 1 1 A 78 78 LYS N N 78 119.345 119.481 -0.136 1
1 995 . 2 1 1 A 79 79 ILE H H 79 8.395 8.133 0.262 1
1 996 . 2 1 1 A 79 79 ILE HA H 79 3.182 3.686 -0.504 1
1 1006 . 2 1 1 A 79 79 ILE C C 79 174.721 176.901 -2.180 1
1 1007 . 2 1 1 A 79 79 ILE CA C 79 66.280 64.969 1.311 1
1 1008 . 2 1 1 A 79 79 ILE CB C 79 38.360 37.315 1.045 1
1 1012 . 2 1 1 A 79 79 ILE N N 79 120.117 120.591 -0.474 1
1 1013 . 2 1 1 A 80 80 SER H H 80 7.459 7.376 0.083 1
1 1014 . 2 1 1 A 80 80 SER HA H 80 3.868 4.148 -0.280 1
1 1017 . 2 1 1 A 80 80 SER C C 80 171.998 175.324 -3.326 1
1 1018 . 2 1 1 A 80 80 SER CA C 80 61.444 60.481 0.963 1
1 1019 . 2 1 1 A 80 80 SER CB C 80 63.500 62.760 0.740 1
1 1020 . 2 1 1 A 80 80 SER N N 80 110.857 116.935 -6.078 1
1 1021 . 2 1 1 A 81 81 GLN H H 81 7.095 7.755 -0.660 1
1 1022 . 2 1 1 A 81 81 GLN HA H 81 4.143 4.216 -0.073 1
1 1029 . 2 1 1 A 81 81 GLN C C 81 173.743 177.604 -3.861 1
1 1030 . 2 1 1 A 81 81 GLN CA C 81 55.894 57.256 -1.362 1
1 1031 . 2 1 1 A 81 81 GLN CB C 81 29.390 28.509 0.881 1
1 1033 . 2 1 1 A 81 81 GLN N N 81 117.056 119.400 -2.344 1
1 1035 . 2 1 1 A 82 82 LEU H H 82 7.495 7.647 -0.152 1
1 1036 . 2 1 1 A 82 82 LEU HA H 82 4.064 4.069 -0.005 1
1 1046 . 2 1 1 A 82 82 LEU C C 82 175.685 176.508 -0.823 1
1 1047 . 2 1 1 A 82 82 LEU CA C 82 55.730 56.650 -0.920 1
1 1048 . 2 1 1 A 82 82 LEU CB C 82 41.740 42.530 -0.790 1
1 1052 . 2 1 1 A 82 82 LEU N N 82 123.191 119.081 4.110 1
1 1053 . 2 1 1 A 83 83 ASP H H 83 8.330 8.171 0.159 1
1 1054 . 2 1 1 A 83 83 ASP HA H 83 4.260 4.522 -0.262 1
1 1057 . 2 1 1 A 83 83 ASP C C 83 174.543 177.298 -2.755 1
1 1058 . 2 1 1 A 83 83 ASP CA C 83 57.056 55.741 1.315 1
1 1059 . 2 1 1 A 83 83 ASP CB C 83 41.590 40.590 1.000 1
1 1060 . 2 1 1 A 83 83 ASP N N 83 122.600 119.113 3.487 1
1 1061 . 2 1 1 A 84 84 LYS H H 84 8.152 8.169 -0.017 1
1 1062 . 2 1 1 A 84 84 LYS HA H 84 4.060 4.284 -0.224 1
1 1071 . 2 1 1 A 84 84 LYS C C 84 172.461 176.986 -4.525 1
1 1072 . 2 1 1 A 84 84 LYS CA C 84 57.301 58.041 -0.740 1
1 1073 . 2 1 1 A 84 84 LYS CB C 84 31.140 32.571 -1.431 1
1 1077 . 2 1 1 A 84 84 LYS N N 84 113.797 117.435 -3.638 1
1 1078 . 2 1 1 A 85 85 VAL H H 85 7.290 7.547 -0.257 1
1 1079 . 2 1 1 A 85 85 VAL HA H 85 4.230 4.384 -0.154 1
1 1087 . 2 1 1 A 85 85 VAL C C 85 173.934 176.190 -2.256 1
1 1088 . 2 1 1 A 85 85 VAL CA C 85 63.300 62.331 0.969 1
1 1089 . 2 1 1 A 85 85 VAL CB C 85 32.320 32.741 -0.421 1
1 1092 . 2 1 1 A 85 85 VAL N N 85 118.733 119.509 -0.776 1
1 1093 . 2 1 1 A 86 86 VAL H H 86 9.093 9.218 -0.125 1
1 1094 . 2 1 1 A 86 86 VAL HA H 86 4.165 4.421 -0.256 1
1 1102 . 2 1 1 A 86 86 VAL C C 86 173.235 175.679 -2.444 1
1 1103 . 2 1 1 A 86 86 VAL CA C 86 62.144 62.316 -0.172 1
1 1104 . 2 1 1 A 86 86 VAL CB C 86 33.397 33.000 0.397 1
1 1107 . 2 1 1 A 86 86 VAL N N 86 125.341 123.694 1.647 1
1 1108 . 2 1 1 A 87 87 GLN H H 87 7.727 7.301 0.426 1
1 1109 . 2 1 1 A 87 87 GLN HA H 87 4.437 4.879 -0.442 1
1 1114 . 2 1 1 A 87 87 GLN C C 87 170.954 174.155 -3.201 1
1 1115 . 2 1 1 A 87 87 GLN CA C 87 56.370 55.531 0.839 1
1 1116 . 2 1 1 A 87 87 GLN CB C 87 32.420 32.092 0.328 1
1 1118 . 2 1 1 A 87 87 GLN N N 87 119.469 120.717 -1.248 1
1 1119 . 2 1 1 A 88 88 THR H H 88 8.087 8.915 -0.828 1
1 1120 . 2 1 1 A 88 88 THR HA H 88 4.857 5.407 -0.550 1
1 1125 . 2 1 1 A 88 88 THR CA C 88 61.850 60.610 1.240 1
1 1126 . 2 1 1 A 88 88 THR CB C 88 69.900 70.640 -0.740 1
1 1128 . 2 1 1 A 88 88 THR N N 88 119.679 116.343 3.336 1
1 1129 . 2 1 1 A 89 89 LEU HA H 89 4.851 5.153 -0.302 1
1 1139 . 2 1 1 A 89 89 LEU C C 89 174.211 177.145 -2.934 1
1 1140 . 2 1 1 A 89 89 LEU CA C 89 54.590 53.461 1.129 1
1 1141 . 2 1 1 A 89 89 LEU CB C 89 44.176 43.180 0.996 1
1 1145 . 2 1 1 A 90 90 GLY H H 90 8.697 9.058 -0.361 1
1 1146 . 2 1 1 A 90 90 GLY HA2 H 90 4.181 4.161 0.020 1
1 1147 . 2 1 1 A 90 90 GLY HA3 H 90 4.267 4.440 -0.173 1
1 1148 . 2 1 1 A 90 90 GLY C C 90 170.516 173.970 -3.454 1
1 1149 . 2 1 1 A 90 90 GLY CA C 90 45.810 45.669 0.141 1
1 1150 . 2 1 1 A 90 90 GLY N N 90 109.859 112.987 -3.128 1
1 1 . 3 1 1 A 2 2 GLY HA2 H 2 3.721 3.934 -0.213 1
1 2 . 3 1 1 A 2 2 GLY HA3 H 2 3.721 4.030 -0.309 1
1 3 . 3 1 1 A 2 2 GLY CA C 2 43.440 45.618 -2.178 1
1 4 . 3 1 1 A 3 3 HIS HA H 3 4.602 5.579 -0.977 1
1 9 . 3 1 1 A 3 3 HIS C C 3 172.383 172.390 -0.007 1
1 10 . 3 1 1 A 3 3 HIS CA C 3 56.270 54.098 2.172 1
1 11 . 3 1 1 A 3 3 HIS CB C 3 30.850 33.703 -2.853 1
1 14 . 3 1 1 A 4 4 MET H H 4 8.397 9.065 -0.668 1
1 15 . 3 1 1 A 4 4 MET HA H 4 4.720 4.859 -0.139 1
1 23 . 3 1 1 A 4 4 MET CA C 4 53.410 53.321 0.089 1
1 24 . 3 1 1 A 4 4 MET CB C 4 32.550 35.607 -3.057 1
1 27 . 3 1 1 A 4 4 MET N N 4 123.715 119.502 4.213 1
1 28 . 3 1 1 A 5 5 PRO HA H 5 4.340 4.580 -0.240 1
1 35 . 3 1 1 A 5 5 PRO C C 5 174.369 177.244 -2.875 1
1 36 . 3 1 1 A 5 5 PRO CA C 5 63.686 62.962 0.724 1
1 37 . 3 1 1 A 5 5 PRO CB C 5 32.430 31.691 0.739 1
1 40 . 3 1 1 A 6 6 SER H H 6 8.337 8.628 -0.291 1
1 41 . 3 1 1 A 6 6 SER HA H 6 4.299 4.182 0.117 1
1 44 . 3 1 1 A 6 6 SER C C 6 171.770 174.458 -2.688 1
1 45 . 3 1 1 A 6 6 SER CA C 6 58.800 60.446 -1.646 1
1 46 . 3 1 1 A 6 6 SER CB C 6 63.896 63.200 0.696 1
1 47 . 3 1 1 A 6 6 SER N N 6 115.479 119.751 -4.272 1
1 48 . 3 1 1 A 7 7 ASP H H 7 8.269 7.647 0.622 1
1 49 . 3 1 1 A 7 7 ASP HA H 7 4.545 4.953 -0.408 1
1 52 . 3 1 1 A 7 7 ASP C C 7 173.646 175.550 -1.904 1
1 53 . 3 1 1 A 7 7 ASP CA C 7 54.571 51.668 2.903 1
1 54 . 3 1 1 A 7 7 ASP CB C 7 41.353 42.126 -0.773 1
1 55 . 3 1 1 A 7 7 ASP N N 7 122.367 119.691 2.676 1
1 56 . 3 1 1 A 8 8 SER H H 8 8.126 8.713 -0.587 1
1 57 . 3 1 1 A 8 8 SER HA H 8 4.337 4.544 -0.207 1
1 60 . 3 1 1 A 8 8 SER C C 8 171.792 173.860 -2.068 1
1 61 . 3 1 1 A 8 8 SER CA C 8 58.950 58.682 0.268 1
1 62 . 3 1 1 A 8 8 SER CB C 8 64.140 63.562 0.578 1
1 63 . 3 1 1 A 8 8 SER N N 8 116.038 115.539 0.499 1
1 64 . 3 1 1 A 9 9 LYS H H 9 8.400 8.524 -0.124 1
1 65 . 3 1 1 A 9 9 LYS HA H 9 4.225 4.638 -0.413 1
1 74 . 3 1 1 A 9 9 LYS C C 9 173.626 176.358 -2.732 1
1 75 . 3 1 1 A 9 9 LYS CA C 9 56.391 55.172 1.219 1
1 76 . 3 1 1 A 9 9 LYS CB C 9 32.970 34.235 -1.265 1
1 80 . 3 1 1 A 9 9 LYS N N 9 122.400 127.491 -5.091 1
1 81 . 3 1 1 A 10 10 LYS H H 10 8.180 8.413 -0.233 1
1 82 . 3 1 1 A 10 10 LYS HA H 10 4.493 4.387 0.106 1
1 91 . 3 1 1 A 10 10 LYS CA C 10 54.500 54.907 -0.407 1
1 92 . 3 1 1 A 10 10 LYS CB C 10 32.750 32.280 0.470 1
1 96 . 3 1 1 A 10 10 LYS N N 10 123.900 125.840 -1.940 1
1 97 . 3 1 1 A 11 11 PRO HA H 11 4.404 4.392 0.012 1
1 104 . 3 1 1 A 11 11 PRO C C 11 174.099 176.794 -2.695 1
1 105 . 3 1 1 A 11 11 PRO CA C 11 63.451 63.269 0.182 1
1 106 . 3 1 1 A 11 11 PRO CB C 11 32.405 31.976 0.429 1
1 109 . 3 1 1 A 12 12 THR H H 12 8.277 8.466 -0.189 1
1 110 . 3 1 1 A 12 12 THR HA H 12 4.156 4.415 -0.259 1
1 115 . 3 1 1 A 12 12 THR C C 12 171.255 174.158 -2.903 1
1 116 . 3 1 1 A 12 12 THR CA C 12 62.829 62.701 0.128 1
1 117 . 3 1 1 A 12 12 THR CB C 12 70.113 68.703 1.410 1
1 119 . 3 1 1 A 12 12 THR N N 12 116.775 118.423 -1.648 1
1 120 . 3 1 1 A 13 13 ILE H H 13 8.141 9.227 -1.086 1
1 121 . 3 1 1 A 13 13 ILE HA H 13 3.880 4.640 -0.760 1
1 131 . 3 1 1 A 13 13 ILE C C 13 171.936 175.069 -3.133 1
1 132 . 3 1 1 A 13 13 ILE CA C 13 61.000 60.300 0.700 1
1 133 . 3 1 1 A 13 13 ILE CB C 13 38.957 38.040 0.917 1
1 137 . 3 1 1 A 13 13 ILE N N 13 126.554 128.910 -2.356 1
1 138 . 3 1 1 A 14 14 ILE H H 14 7.890 8.948 -1.058 1
1 139 . 3 1 1 A 14 14 ILE HA H 14 4.045 4.728 -0.683 1
1 149 . 3 1 1 A 14 14 ILE C C 14 171.624 175.002 -3.378 1
1 150 . 3 1 1 A 14 14 ILE CA C 14 60.132 60.655 -0.523 1
1 151 . 3 1 1 A 14 14 ILE CB C 14 38.760 38.537 0.223 1
1 155 . 3 1 1 A 14 14 ILE N N 14 127.503 129.072 -1.569 1
1 156 . 3 1 1 A 15 15 TYR H H 15 8.185 9.114 -0.929 1
1 165 . 3 1 1 A 15 15 TYR N N 15 123.664 127.054 -3.390 1
1 166 . 3 1 1 A 16 16 PRO HA H 16 5.087 5.377 -0.290 1
1 173 . 3 1 1 A 16 16 PRO C C 16 172.702 176.003 -3.301 1
1 174 . 3 1 1 A 16 16 PRO CA C 16 62.891 62.619 0.272 1
1 175 . 3 1 1 A 16 16 PRO CB C 16 36.288 32.738 3.550 1
1 178 . 3 1 1 A 17 17 CYS H H 17 8.579 7.890 0.689 1
1 179 . 3 1 1 A 17 17 CYS HA H 17 4.924 4.965 -0.041 1
1 182 . 3 1 1 A 17 17 CYS C C 17 169.725 173.483 -3.758 1
1 183 . 3 1 1 A 17 17 CYS CA C 17 55.925 56.927 -1.002 1
1 184 . 3 1 1 A 17 17 CYS CB C 17 31.200 31.033 0.167 1
1 185 . 3 1 1 A 17 17 CYS N N 17 114.797 116.823 -2.026 1
1 186 . 3 1 1 A 18 18 LEU H H 18 8.449 8.596 -0.147 1
1 187 . 3 1 1 A 18 18 LEU HA H 18 4.336 4.469 -0.133 1
1 197 . 3 1 1 A 18 18 LEU C C 18 172.529 176.002 -3.473 1
1 198 . 3 1 1 A 18 18 LEU CA C 18 55.600 54.963 0.637 1
1 199 . 3 1 1 A 18 18 LEU CB C 18 42.550 40.853 1.697 1
1 203 . 3 1 1 A 18 18 LEU N N 18 122.242 122.469 -0.227 1
1 204 . 3 1 1 A 19 19 TRP H H 19 9.079 9.042 0.037 1
1 205 . 3 1 1 A 19 19 TRP HA H 19 4.300 5.088 -0.788 1
1 214 . 3 1 1 A 19 19 TRP C C 19 170.195 174.425 -4.230 1
1 215 . 3 1 1 A 19 19 TRP CA C 19 56.750 56.476 0.274 1
1 216 . 3 1 1 A 19 19 TRP CB C 19 33.935 32.030 1.905 1
1 222 . 3 1 1 A 19 19 TRP N N 19 130.082 127.759 2.323 1
1 224 . 3 1 1 A 20 20 ASP H H 20 6.314 7.872 -1.558 1
1 225 . 3 1 1 A 20 20 ASP HA H 20 5.559 5.031 0.528 1
1 228 . 3 1 1 A 20 20 ASP C C 20 172.285 174.384 -2.099 1
1 229 . 3 1 1 A 20 20 ASP CA C 20 52.900 52.509 0.391 1
1 230 . 3 1 1 A 20 20 ASP CB C 20 43.450 42.487 0.963 1
1 231 . 3 1 1 A 20 20 ASP N N 20 122.801 127.857 -5.056 1
1 232 . 3 1 1 A 21 21 TYR H H 21 9.519 9.472 0.047 1
1 233 . 3 1 1 A 21 21 TYR HA H 21 4.975 5.294 -0.319 1
1 240 . 3 1 1 A 21 21 TYR C C 21 172.202 175.014 -2.812 1
1 241 . 3 1 1 A 21 21 TYR CA C 21 56.910 56.966 -0.056 1
1 242 . 3 1 1 A 21 21 TYR CB C 21 40.850 41.478 -0.628 1
1 247 . 3 1 1 A 21 21 TYR N N 21 120.749 126.236 -5.487 1
1 248 . 3 1 1 A 22 22 ARG H H 22 8.758 9.175 -0.417 1
1 249 . 3 1 1 A 22 22 ARG HA H 22 5.189 5.360 -0.171 1
1 256 . 3 1 1 A 22 22 ARG C C 22 172.210 174.704 -2.494 1
1 257 . 3 1 1 A 22 22 ARG CA C 22 55.180 54.890 0.290 1
1 258 . 3 1 1 A 22 22 ARG CB C 22 31.360 33.008 -1.648 1
1 261 . 3 1 1 A 22 22 ARG N N 22 124.405 122.899 1.506 1
1 262 . 3 1 1 A 23 23 VAL H H 23 9.170 9.439 -0.269 1
1 263 . 3 1 1 A 23 23 VAL HA H 23 4.591 4.742 -0.151 1
1 271 . 3 1 1 A 23 23 VAL C C 23 171.354 174.864 -3.510 1
1 272 . 3 1 1 A 23 23 VAL CA C 23 61.836 61.563 0.273 1
1 273 . 3 1 1 A 23 23 VAL CB C 23 35.725 33.289 2.436 1
1 276 . 3 1 1 A 23 23 VAL N N 23 125.900 127.016 -1.116 1
1 277 . 3 1 1 A 24 24 ILE H H 24 8.919 9.281 -0.362 1
1 278 . 3 1 1 A 24 24 ILE HA H 24 5.119 5.342 -0.223 1
1 288 . 3 1 1 A 24 24 ILE C C 24 173.492 175.254 -1.762 1
1 289 . 3 1 1 A 24 24 ILE CA C 24 60.567 60.604 -0.037 1
1 290 . 3 1 1 A 24 24 ILE CB C 24 38.346 38.480 -0.134 1
1 294 . 3 1 1 A 24 24 ILE N N 24 127.789 128.679 -0.890 1
1 295 . 3 1 1 A 25 25 MET H H 25 9.857 8.965 0.892 1
1 296 . 3 1 1 A 25 25 MET HA H 25 6.017 5.151 0.866 1
1 304 . 3 1 1 A 25 25 MET C C 25 174.379 176.635 -2.256 1
1 305 . 3 1 1 A 25 25 MET CA C 25 54.898 54.283 0.615 1
1 306 . 3 1 1 A 25 25 MET CB C 25 40.260 36.446 3.814 1
1 309 . 3 1 1 A 25 25 MET N N 25 124.403 126.658 -2.255 1
1 310 . 3 1 1 A 26 26 THR H H 26 8.843 8.430 0.413 1
1 311 . 3 1 1 A 26 26 THR HA H 26 4.875 5.103 -0.228 1
1 316 . 3 1 1 A 26 26 THR C C 26 170.849 174.110 -3.261 1
1 317 . 3 1 1 A 26 26 THR CA C 26 61.826 61.264 0.562 1
1 318 . 3 1 1 A 26 26 THR CB C 26 68.846 69.138 -0.292 1
1 320 . 3 1 1 A 26 26 THR N N 26 108.669 112.474 -3.805 1
1 321 . 3 1 1 A 27 27 THR H H 27 7.342 7.764 -0.422 1
1 322 . 3 1 1 A 27 27 THR HA H 27 4.618 4.738 -0.120 1
1 327 . 3 1 1 A 27 27 THR C C 27 166.898 173.101 -6.203 1
1 328 . 3 1 1 A 27 27 THR CA C 27 58.657 60.043 -1.386 1
1 329 . 3 1 1 A 27 27 THR CB C 27 69.696 71.150 -1.454 1
1 331 . 3 1 1 A 27 27 THR N N 27 114.866 115.026 -0.160 1
1 332 . 3 1 1 A 28 28 LYS H H 28 7.638 8.583 -0.945 1
1 333 . 3 1 1 A 28 28 LYS HA H 28 3.991 4.267 -0.276 1
1 342 . 3 1 1 A 28 28 LYS C C 28 173.190 176.651 -3.461 1
1 343 . 3 1 1 A 28 28 LYS CA C 28 55.731 56.651 -0.920 1
1 344 . 3 1 1 A 28 28 LYS CB C 28 32.790 32.163 0.627 1
1 348 . 3 1 1 A 28 28 LYS N N 28 121.283 124.269 -2.986 1
1 349 . 3 1 1 A 29 29 ASP H H 29 8.184 7.495 0.689 1
1 350 . 3 1 1 A 29 29 ASP HA H 29 4.401 4.557 -0.156 1
1 353 . 3 1 1 A 29 29 ASP C C 29 173.830 174.740 -0.910 1
1 354 . 3 1 1 A 29 29 ASP CA C 29 53.979 53.234 0.745 1
1 355 . 3 1 1 A 29 29 ASP CB C 29 40.730 39.952 0.778 1
1 356 . 3 1 1 A 29 29 ASP N N 29 120.231 122.050 -1.819 1
1 357 . 3 1 1 A 30 30 THR H H 30 7.830 8.563 -0.733 1
1 358 . 3 1 1 A 30 30 THR HA H 30 3.742 4.552 -0.810 1
1 363 . 3 1 1 A 30 30 THR C C 30 172.987 173.469 -0.482 1
1 364 . 3 1 1 A 30 30 THR CA C 30 61.299 60.099 1.200 1
1 365 . 3 1 1 A 30 30 THR CB C 30 69.294 68.278 1.016 1
1 367 . 3 1 1 A 30 30 THR N N 30 115.459 120.668 -5.209 1
1 368 . 3 1 1 A 31 31 SER H H 31 8.561 8.805 -0.244 1
1 369 . 3 1 1 A 31 31 SER HA H 31 3.875 4.636 -0.761 1
1 372 . 3 1 1 A 31 31 SER CA C 31 63.520 59.664 3.856 1
1 373 . 3 1 1 A 31 31 SER CB C 31 62.332 65.208 -2.876 1
1 374 . 3 1 1 A 31 31 SER N N 31 119.763 125.427 -5.664 1
1 375 . 3 1 1 A 32 32 THR HA H 32 3.961 3.944 0.017 1
1 380 . 3 1 1 A 32 32 THR C C 32 173.850 176.267 -2.417 1
1 381 . 3 1 1 A 32 32 THR CA C 32 65.447 66.617 -1.170 1
1 382 . 3 1 1 A 32 32 THR CB C 32 68.715 68.032 0.683 1
1 384 . 3 1 1 A 33 33 LEU H H 33 7.209 8.054 -0.845 1
1 385 . 3 1 1 A 33 33 LEU HA H 33 3.950 3.906 0.044 1
1 395 . 3 1 1 A 33 33 LEU C C 33 174.505 178.475 -3.970 1
1 396 . 3 1 1 A 33 33 LEU CA C 33 57.653 58.295 -0.642 1
1 397 . 3 1 1 A 33 33 LEU CB C 33 42.210 41.382 0.828 1
1 401 . 3 1 1 A 33 33 LEU N N 33 125.158 121.871 3.287 1
1 402 . 3 1 1 A 34 34 LYS H H 34 8.671 7.863 0.808 1
1 403 . 3 1 1 A 34 34 LYS HA H 34 3.552 3.819 -0.267 1
1 412 . 3 1 1 A 34 34 LYS C C 34 174.794 179.504 -4.710 1
1 413 . 3 1 1 A 34 34 LYS CA C 34 61.226 59.784 1.442 1
1 414 . 3 1 1 A 34 34 LYS CB C 34 32.880 32.100 0.780 1
1 418 . 3 1 1 A 34 34 LYS N N 34 119.112 118.527 0.585 1
1 419 . 3 1 1 A 35 35 GLU H H 35 7.813 8.237 -0.424 1
1 420 . 3 1 1 A 35 35 GLU HA H 35 3.863 3.993 -0.130 1
1 425 . 3 1 1 A 35 35 GLU C C 35 176.222 179.208 -2.986 1
1 426 . 3 1 1 A 35 35 GLU CA C 35 59.721 59.135 0.586 1
1 427 . 3 1 1 A 35 35 GLU CB C 35 29.898 29.303 0.595 1
1 429 . 3 1 1 A 35 35 GLU N N 35 116.554 120.107 -3.553 1
1 430 . 3 1 1 A 36 36 LEU H H 36 7.153 7.430 -0.277 1
1 431 . 3 1 1 A 36 36 LEU HA H 36 4.175 4.004 0.171 1
1 441 . 3 1 1 A 36 36 LEU C C 36 177.281 178.906 -1.625 1
1 442 . 3 1 1 A 36 36 LEU CA C 36 58.018 57.951 0.067 1
1 443 . 3 1 1 A 36 36 LEU CB C 36 41.720 41.094 0.626 1
1 447 . 3 1 1 A 36 36 LEU N N 36 119.071 118.896 0.175 1
1 448 . 3 1 1 A 37 37 LEU H H 37 8.245 7.992 0.253 1
1 449 . 3 1 1 A 37 37 LEU HA H 37 3.749 3.929 -0.180 1
1 459 . 3 1 1 A 37 37 LEU C C 37 177.903 179.481 -1.578 1
1 460 . 3 1 1 A 37 37 LEU CA C 37 58.278 58.016 0.262 1
1 461 . 3 1 1 A 37 37 LEU CB C 37 39.600 40.111 -0.511 1
1 465 . 3 1 1 A 37 37 LEU N N 37 121.326 118.895 2.431 1
1 466 . 3 1 1 A 38 38 GLU H H 38 8.641 8.462 0.179 1
1 467 . 3 1 1 A 38 38 GLU HA H 38 4.320 4.224 0.096 1
1 472 . 3 1 1 A 38 38 GLU C C 38 177.074 179.208 -2.134 1
1 473 . 3 1 1 A 38 38 GLU CA C 38 59.619 59.545 0.074 1
1 474 . 3 1 1 A 38 38 GLU CB C 38 29.850 29.400 0.450 1
1 476 . 3 1 1 A 38 38 GLU N N 38 119.504 119.296 0.208 1
1 477 . 3 1 1 A 39 39 THR H H 39 7.653 8.045 -0.392 1
1 478 . 3 1 1 A 39 39 THR HA H 39 4.097 4.068 0.029 1
1 483 . 3 1 1 A 39 39 THR C C 39 173.229 175.941 -2.712 1
1 484 . 3 1 1 A 39 39 THR CA C 39 65.080 65.149 -0.069 1
1 485 . 3 1 1 A 39 39 THR CB C 39 69.952 68.450 1.502 1
1 487 . 3 1 1 A 39 39 THR N N 39 110.838 112.865 -2.027 1
1 488 . 3 1 1 A 40 40 TYR H H 40 7.478 7.608 -0.130 1
1 489 . 3 1 1 A 40 40 TYR HA H 40 4.073 4.614 -0.541 1
1 496 . 3 1 1 A 40 40 TYR C C 40 172.486 175.199 -2.713 1
1 497 . 3 1 1 A 40 40 TYR CA C 40 61.549 58.926 2.623 1
1 498 . 3 1 1 A 40 40 TYR CB C 40 37.140 38.834 -1.694 1
1 503 . 3 1 1 A 40 40 TYR N N 40 118.654 120.654 -2.000 1
1 504 . 3 1 1 A 41 41 GLN H H 41 7.901 7.938 -0.037 1
1 505 . 3 1 1 A 41 41 GLN HA H 41 3.963 4.014 -0.051 1
1 512 . 3 1 1 A 41 41 GLN C C 41 171.223 174.135 -2.912 1
1 513 . 3 1 1 A 41 41 GLN CA C 41 57.158 57.270 -0.112 1
1 514 . 3 1 1 A 41 41 GLN CB C 41 27.330 26.529 0.801 1
1 516 . 3 1 1 A 41 41 GLN N N 41 116.315 116.288 0.027 1
1 518 . 3 1 1 A 42 42 ARG H H 42 8.493 7.926 0.567 1
1 519 . 3 1 1 A 42 42 ARG HA H 42 5.052 4.843 0.209 1
1 527 . 3 1 1 A 42 42 ARG CA C 42 54.040 54.057 -0.017 1
1 528 . 3 1 1 A 42 42 ARG CB C 42 30.650 31.219 -0.569 1
1 531 . 3 1 1 A 42 42 ARG N N 42 115.494 117.034 -1.540 1
1 533 . 3 1 1 A 43 43 PRO HA H 43 4.390 4.818 -0.428 1
1 540 . 3 1 1 A 43 43 PRO C C 43 172.836 176.667 -3.831 1
1 541 . 3 1 1 A 43 43 PRO CA C 43 63.574 62.677 0.897 1
1 542 . 3 1 1 A 43 43 PRO CB C 43 32.500 32.591 -0.091 1
1 545 . 3 1 1 A 44 44 PHE H H 44 7.742 8.629 -0.887 1
1 546 . 3 1 1 A 44 44 PHE HA H 44 5.281 5.523 -0.242 1
1 554 . 3 1 1 A 44 44 PHE C C 44 170.840 172.204 -1.364 1
1 555 . 3 1 1 A 44 44 PHE CA C 44 56.174 55.918 0.256 1
1 556 . 3 1 1 A 44 44 PHE CB C 44 42.280 41.695 0.585 1
1 562 . 3 1 1 A 44 44 PHE N N 44 115.046 118.397 -3.351 1
1 563 . 3 1 1 A 45 45 LYS H H 45 8.944 9.099 -0.155 1
1 564 . 3 1 1 A 45 45 LYS HA H 45 4.641 4.801 -0.160 1
1 573 . 3 1 1 A 45 45 LYS C C 45 171.934 175.014 -3.080 1
1 574 . 3 1 1 A 45 45 LYS CA C 45 55.210 54.879 0.331 1
1 575 . 3 1 1 A 45 45 LYS CB C 45 35.600 34.651 0.949 1
1 579 . 3 1 1 A 45 45 LYS N N 45 121.090 120.940 0.150 1
1 580 . 3 1 1 A 46 46 LEU H H 46 8.897 8.745 0.152 1
1 581 . 3 1 1 A 46 46 LEU HA H 46 5.332 5.078 0.254 1
1 590 . 3 1 1 A 46 46 LEU C C 46 172.666 175.332 -2.666 1
1 591 . 3 1 1 A 46 46 LEU CA C 46 54.510 54.373 0.137 1
1 592 . 3 1 1 A 46 46 LEU CB C 46 44.620 43.411 1.209 1
1 595 . 3 1 1 A 46 46 LEU N N 46 128.615 129.017 -0.402 1
1 596 . 3 1 1 A 47 47 GLU H H 47 9.220 9.278 -0.058 1
1 597 . 3 1 1 A 47 47 GLU HA H 47 4.911 5.112 -0.201 1
1 602 . 3 1 1 A 47 47 GLU C C 47 172.392 174.823 -2.431 1
1 603 . 3 1 1 A 47 47 GLU CA C 47 54.980 54.752 0.228 1
1 604 . 3 1 1 A 47 47 GLU CB C 47 34.490 33.726 0.764 1
1 606 . 3 1 1 A 47 47 GLU N N 47 125.300 126.137 -0.837 1
1 607 . 3 1 1 A 48 48 PHE H H 48 9.157 8.955 0.202 1
1 608 . 3 1 1 A 48 48 PHE HA H 48 4.302 5.192 -0.890 1
1 616 . 3 1 1 A 48 48 PHE C C 48 171.971 174.759 -2.788 1
1 617 . 3 1 1 A 48 48 PHE CA C 48 58.240 56.678 1.562 1
1 618 . 3 1 1 A 48 48 PHE CB C 48 39.410 41.616 -2.206 1
1 624 . 3 1 1 A 48 48 PHE N N 48 126.911 124.152 2.759 1
1 625 . 3 1 1 A 49 49 LYS H H 49 8.256 8.622 -0.366 1
1 626 . 3 1 1 A 49 49 LYS HA H 49 4.176 4.216 -0.040 1
1 635 . 3 1 1 A 49 49 LYS C C 49 172.030 176.100 -4.070 1
1 636 . 3 1 1 A 49 49 LYS CA C 49 55.244 57.867 -2.623 1
1 637 . 3 1 1 A 49 49 LYS CB C 49 32.640 32.864 -0.224 1
1 641 . 3 1 1 A 49 49 LYS N N 49 127.526 126.829 0.697 1
1 642 . 3 1 1 A 50 50 ASN H H 50 7.062 6.755 0.307 1
1 643 . 3 1 1 A 50 50 ASN HA H 50 4.353 4.745 -0.392 1
1 648 . 3 1 1 A 50 50 ASN C C 50 171.278 172.324 -1.046 1
1 649 . 3 1 1 A 50 50 ASN CA C 50 53.807 52.374 1.433 1
1 650 . 3 1 1 A 50 50 ASN CB C 50 40.460 41.766 -1.306 1
1 651 . 3 1 1 A 50 50 ASN N N 50 115.764 112.680 3.084 1
1 653 . 3 1 1 A 51 51 THR H H 51 8.217 8.728 -0.511 1
1 654 . 3 1 1 A 51 51 THR HA H 51 4.685 5.080 -0.395 1
1 659 . 3 1 1 A 51 51 THR C C 51 171.816 172.392 -0.576 1
1 660 . 3 1 1 A 51 51 THR CA C 51 61.243 59.708 1.535 1
1 661 . 3 1 1 A 51 51 THR CB C 51 70.632 71.705 -1.073 1
1 663 . 3 1 1 A 51 51 THR N N 51 114.341 116.096 -1.755 1
1 664 . 3 1 1 A 52 52 SER H H 52 8.314 8.839 -0.525 1
1 665 . 3 1 1 A 52 52 SER HA H 52 4.395 4.470 -0.075 1
1 668 . 3 1 1 A 52 52 SER CA C 52 58.470 58.747 -0.277 1
1 669 . 3 1 1 A 52 52 SER CB C 52 64.580 63.937 0.643 1
1 670 . 3 1 1 A 52 52 SER N N 52 118.503 120.801 -2.298 1
1 671 . 3 1 1 A 54 54 ASN HA H 54 4.484 4.799 -0.315 1
1 676 . 3 1 1 A 54 54 ASN C C 54 171.753 174.648 -2.895 1
1 677 . 3 1 1 A 54 54 ASN CA C 54 53.296 52.991 0.305 1
1 678 . 3 1 1 A 54 54 ASN CB C 54 38.080 38.562 -0.482 1
1 680 . 3 1 1 A 55 55 ALA H H 55 7.927 8.093 -0.166 1
1 681 . 3 1 1 A 55 55 ALA HA H 55 3.759 4.055 -0.296 1
1 685 . 3 1 1 A 55 55 ALA C C 55 173.386 176.996 -3.610 1
1 686 . 3 1 1 A 55 55 ALA CA C 55 53.266 53.214 0.052 1
1 687 . 3 1 1 A 55 55 ALA CB C 55 18.180 18.217 -0.037 1
1 688 . 3 1 1 A 55 55 ALA N N 55 120.429 120.325 0.104 1
1 689 . 3 1 1 A 56 56 LYS H H 56 7.426 7.490 -0.064 1
1 690 . 3 1 1 A 56 56 LYS HA H 56 3.919 3.915 0.004 1
1 702 . 3 1 1 A 56 56 LYS C C 56 172.612 175.767 -3.155 1
1 703 . 3 1 1 A 56 56 LYS CA C 56 57.113 57.629 -0.516 1
1 704 . 3 1 1 A 56 56 LYS CB C 56 33.566 33.250 0.316 1
1 708 . 3 1 1 A 56 56 LYS N N 56 116.392 117.611 -1.219 1
1 710 . 3 1 1 A 57 57 PHE H H 57 7.253 7.717 -0.464 1
1 711 . 3 1 1 A 57 57 PHE HA H 57 5.062 5.360 -0.298 1
1 719 . 3 1 1 A 57 57 PHE C C 57 171.527 174.035 -2.508 1
1 720 . 3 1 1 A 57 57 PHE CA C 57 54.920 56.217 -1.297 1
1 721 . 3 1 1 A 57 57 PHE CB C 57 41.910 41.817 0.093 1
1 727 . 3 1 1 A 57 57 PHE N N 57 113.835 116.247 -2.412 1
1 728 . 3 1 1 A 58 58 TYR H H 58 9.172 9.670 -0.498 1
1 729 . 3 1 1 A 58 58 TYR HA H 58 4.746 4.950 -0.204 1
1 736 . 3 1 1 A 58 58 TYR C C 58 171.294 174.976 -3.682 1
1 737 . 3 1 1 A 58 58 TYR CA C 58 57.770 56.192 1.578 1
1 738 . 3 1 1 A 58 58 TYR CB C 58 41.784 41.235 0.549 1
1 743 . 3 1 1 A 58 58 TYR N N 58 121.139 122.409 -1.270 1
1 744 . 3 1 1 A 59 59 SER H H 59 8.786 8.913 -0.127 1
1 745 . 3 1 1 A 59 59 SER HA H 59 5.399 4.767 0.632 1
1 748 . 3 1 1 A 59 59 SER C C 59 170.105 173.478 -3.373 1
1 749 . 3 1 1 A 59 59 SER CA C 59 57.650 58.238 -0.588 1
1 750 . 3 1 1 A 59 59 SER CB C 59 65.220 63.666 1.554 1
1 751 . 3 1 1 A 59 59 SER N N 59 118.511 120.828 -2.317 1
1 752 . 3 1 1 A 60 60 PHE H H 60 9.389 9.597 -0.208 1
1 753 . 3 1 1 A 60 60 PHE HA H 60 5.210 5.206 0.004 1
1 761 . 3 1 1 A 60 60 PHE C C 60 172.188 174.555 -2.367 1
1 762 . 3 1 1 A 60 60 PHE CA C 60 56.824 56.496 0.328 1
1 763 . 3 1 1 A 60 60 PHE CB C 60 43.645 41.918 1.727 1
1 769 . 3 1 1 A 60 60 PHE N N 60 121.864 126.530 -4.666 1
1 770 . 3 1 1 A 61 61 ASN H H 61 9.448 9.523 -0.075 1
1 771 . 3 1 1 A 61 61 ASN HA H 61 5.564 5.855 -0.291 1
1 776 . 3 1 1 A 61 61 ASN C C 61 171.756 173.834 -2.078 1
1 777 . 3 1 1 A 61 61 ASN CA C 61 53.012 52.013 0.999 1
1 778 . 3 1 1 A 61 61 ASN CB C 61 42.580 42.197 0.383 1
1 779 . 3 1 1 A 61 61 ASN N N 61 121.107 119.408 1.699 1
1 781 . 3 1 1 A 62 62 VAL H H 62 9.361 9.273 0.088 1
1 782 . 3 1 1 A 62 62 VAL HA H 62 5.159 5.460 -0.301 1
1 790 . 3 1 1 A 62 62 VAL C C 62 171.964 174.968 -3.004 1
1 791 . 3 1 1 A 62 62 VAL CA C 62 60.991 61.231 -0.240 1
1 792 . 3 1 1 A 62 62 VAL CB C 62 35.350 34.698 0.652 1
1 795 . 3 1 1 A 62 62 VAL N N 62 126.781 126.377 0.404 1
1 796 . 3 1 1 A 63 63 SER H H 63 8.750 8.755 -0.005 1
1 797 . 3 1 1 A 63 63 SER HA H 63 5.955 6.086 -0.131 1
1 800 . 3 1 1 A 63 63 SER C C 63 171.905 173.671 -1.766 1
1 801 . 3 1 1 A 63 63 SER CA C 63 56.587 56.769 -0.182 1
1 802 . 3 1 1 A 63 63 SER CB C 63 65.231 64.756 0.475 1
1 803 . 3 1 1 A 63 63 SER N N 63 120.886 121.960 -1.074 1
1 804 . 3 1 1 A 64 64 MET H H 64 8.918 8.855 0.063 1
1 805 . 3 1 1 A 64 64 MET HA H 64 4.622 5.320 -0.698 1
1 813 . 3 1 1 A 64 64 MET C C 64 170.352 174.746 -4.394 1
1 814 . 3 1 1 A 64 64 MET CA C 64 55.950 54.005 1.945 1
1 815 . 3 1 1 A 64 64 MET CB C 64 38.000 35.877 2.123 1
1 818 . 3 1 1 A 64 64 MET N N 64 123.839 122.504 1.335 1
1 819 . 3 1 1 A 65 65 GLU H H 65 9.213 8.572 0.641 1
1 820 . 3 1 1 A 65 65 GLU HA H 65 4.740 5.115 -0.375 1
1 825 . 3 1 1 A 65 65 GLU C C 65 172.659 176.494 -3.835 1
1 826 . 3 1 1 A 65 65 GLU CA C 65 57.547 56.573 0.974 1
1 827 . 3 1 1 A 65 65 GLU CB C 65 31.100 30.345 0.755 1
1 829 . 3 1 1 A 65 65 GLU N N 65 125.938 120.708 5.230 1
1 830 . 3 1 1 A 66 66 VAL H H 66 9.031 8.676 0.355 1
1 831 . 3 1 1 A 66 66 VAL HA H 66 4.632 4.484 0.148 1
1 839 . 3 1 1 A 66 66 VAL C C 66 174.252 176.620 -2.368 1
1 840 . 3 1 1 A 66 66 VAL CA C 66 59.454 61.624 -2.170 1
1 841 . 3 1 1 A 66 66 VAL CB C 66 35.450 33.065 2.385 1
1 844 . 3 1 1 A 66 66 VAL N N 66 117.398 125.401 -8.003 1
1 845 . 3 1 1 A 67 67 SER H H 67 9.309 8.909 0.400 1
1 846 . 3 1 1 A 67 67 SER HA H 67 4.185 4.393 -0.208 1
1 849 . 3 1 1 A 67 67 SER C C 67 170.646 174.268 -3.622 1
1 850 . 3 1 1 A 67 67 SER CA C 67 61.719 60.754 0.965 1
1 851 . 3 1 1 A 67 67 SER CB C 67 64.540 63.567 0.973 1
1 852 . 3 1 1 A 67 67 SER N N 67 116.754 118.969 -2.215 1
1 853 . 3 1 1 A 68 68 ASN H H 68 7.279 7.672 -0.393 1
1 854 . 3 1 1 A 68 68 ASN HA H 68 3.345 4.680 -1.335 1
1 859 . 3 1 1 A 68 68 ASN C C 68 170.781 175.119 -4.338 1
1 860 . 3 1 1 A 68 68 ASN CA C 68 51.758 52.245 -0.487 1
1 861 . 3 1 1 A 68 68 ASN CB C 68 38.809 39.017 -0.208 1
1 862 . 3 1 1 A 68 68 ASN N N 68 110.062 113.577 -3.515 1
1 864 . 3 1 1 A 69 69 GLU H H 69 8.126 8.336 -0.210 1
1 865 . 3 1 1 A 69 69 GLU HA H 69 3.337 3.530 -0.193 1
1 870 . 3 1 1 A 69 69 GLU C C 69 174.537 178.051 -3.514 1
1 871 . 3 1 1 A 69 69 GLU CA C 69 59.749 59.207 0.542 1
1 872 . 3 1 1 A 69 69 GLU CB C 69 30.250 29.039 1.211 1
1 874 . 3 1 1 A 69 69 GLU N N 69 120.604 119.215 1.389 1
1 875 . 3 1 1 A 70 70 SER H H 70 7.981 7.795 0.186 1
1 876 . 3 1 1 A 70 70 SER HA H 70 4.030 4.047 -0.017 1
1 879 . 3 1 1 A 70 70 SER C C 70 174.715 176.467 -1.752 1
1 880 . 3 1 1 A 70 70 SER CA C 70 62.097 61.885 0.212 1
1 881 . 3 1 1 A 70 70 SER CB C 70 62.350 62.733 -0.383 1
1 882 . 3 1 1 A 70 70 SER N N 70 114.770 117.128 -2.358 1
1 883 . 3 1 1 A 71 71 GLU H H 71 8.572 7.885 0.687 1
1 884 . 3 1 1 A 71 71 GLU HA H 71 3.927 4.034 -0.107 1
1 889 . 3 1 1 A 71 71 GLU C C 71 174.769 178.967 -4.198 1
1 890 . 3 1 1 A 71 71 GLU CA C 71 59.849 59.442 0.407 1
1 891 . 3 1 1 A 71 71 GLU CB C 71 30.950 29.117 1.833 1
1 893 . 3 1 1 A 71 71 GLU N N 71 124.163 122.409 1.754 1
1 894 . 3 1 1 A 72 72 ARG H H 72 7.797 8.334 -0.537 1
1 895 . 3 1 1 A 72 72 ARG HA H 72 3.776 5.006 -1.230 1
1 900 . 3 1 1 A 72 72 ARG C C 72 177.552 178.050 -0.498 1
1 901 . 3 1 1 A 72 72 ARG CA C 72 58.680 58.026 0.654 1
1 902 . 3 1 1 A 72 72 ARG CB C 72 30.110 28.625 1.485 1
1 905 . 3 1 1 A 72 72 ARG N N 72 118.396 118.713 -0.317 1
1 906 . 3 1 1 A 73 73 ASN H H 73 8.175 7.563 0.612 1
1 907 . 3 1 1 A 73 73 ASN HA H 73 4.461 4.783 -0.322 1
1 912 . 3 1 1 A 73 73 ASN C C 73 174.089 177.624 -3.535 1
1 913 . 3 1 1 A 73 73 ASN CA C 73 55.500 54.694 0.806 1
1 914 . 3 1 1 A 73 73 ASN CB C 73 37.844 39.401 -1.557 1
1 915 . 3 1 1 A 73 73 ASN N N 73 118.156 117.083 1.073 1
1 917 . 3 1 1 A 74 74 GLU H H 74 8.473 8.539 -0.066 1
1 918 . 3 1 1 A 74 74 GLU HA H 74 3.954 4.171 -0.217 1
1 923 . 3 1 1 A 74 74 GLU C C 74 175.719 179.301 -3.582 1
1 924 . 3 1 1 A 74 74 GLU CA C 74 60.093 59.418 0.675 1
1 925 . 3 1 1 A 74 74 GLU CB C 74 30.460 29.326 1.134 1
1 927 . 3 1 1 A 74 74 GLU N N 74 124.825 118.264 6.561 1
1 928 . 3 1 1 A 75 75 ILE H H 75 8.273 8.184 0.089 1
1 929 . 3 1 1 A 75 75 ILE HA H 75 3.229 3.695 -0.466 1
1 939 . 3 1 1 A 75 75 ILE C C 75 174.591 178.070 -3.479 1
1 940 . 3 1 1 A 75 75 ILE CA C 75 66.460 65.377 1.083 1
1 941 . 3 1 1 A 75 75 ILE CB C 75 38.262 37.588 0.674 1
1 945 . 3 1 1 A 75 75 ILE N N 75 120.282 121.667 -1.385 1
1 946 . 3 1 1 A 76 76 PHE H H 76 7.233 8.512 -1.279 1
1 947 . 3 1 1 A 76 76 PHE HA H 76 3.600 4.117 -0.517 1
1 955 . 3 1 1 A 76 76 PHE C C 76 175.036 177.925 -2.889 1
1 956 . 3 1 1 A 76 76 PHE CA C 76 62.227 61.462 0.765 1
1 957 . 3 1 1 A 76 76 PHE CB C 76 40.170 39.712 0.458 1
1 963 . 3 1 1 A 76 76 PHE N N 76 117.265 120.753 -3.488 1
1 964 . 3 1 1 A 77 77 GLN H H 77 8.262 8.027 0.235 1
1 965 . 3 1 1 A 77 77 GLN HA H 77 3.753 3.886 -0.133 1
1 972 . 3 1 1 A 77 77 GLN C C 77 176.132 178.925 -2.793 1
1 973 . 3 1 1 A 77 77 GLN CA C 77 59.113 59.378 -0.265 1
1 974 . 3 1 1 A 77 77 GLN CB C 77 28.487 28.398 0.089 1
1 976 . 3 1 1 A 77 77 GLN N N 77 118.919 118.440 0.479 1
1 978 . 3 1 1 A 78 78 LYS H H 78 8.508 7.638 0.870 1
1 979 . 3 1 1 A 78 78 LYS HA H 78 3.804 4.018 -0.214 1
1 988 . 3 1 1 A 78 78 LYS C C 78 177.438 179.480 -2.042 1
1 989 . 3 1 1 A 78 78 LYS CA C 78 60.107 58.759 1.348 1
1 990 . 3 1 1 A 78 78 LYS CB C 78 33.160 31.549 1.611 1
1 994 . 3 1 1 A 78 78 LYS N N 78 119.345 119.529 -0.184 1
1 995 . 3 1 1 A 79 79 ILE H H 79 8.395 7.884 0.511 1
1 996 . 3 1 1 A 79 79 ILE HA H 79 3.182 3.764 -0.582 1
1 1006 . 3 1 1 A 79 79 ILE C C 79 174.721 176.636 -1.915 1
1 1007 . 3 1 1 A 79 79 ILE CA C 79 66.280 64.861 1.419 1
1 1008 . 3 1 1 A 79 79 ILE CB C 79 38.360 37.524 0.836 1
1 1012 . 3 1 1 A 79 79 ILE N N 79 120.117 121.081 -0.964 1
1 1013 . 3 1 1 A 80 80 SER H H 80 7.459 7.682 -0.223 1
1 1014 . 3 1 1 A 80 80 SER HA H 80 3.868 4.278 -0.410 1
1 1017 . 3 1 1 A 80 80 SER C C 80 171.998 174.916 -2.918 1
1 1018 . 3 1 1 A 80 80 SER CA C 80 61.444 59.355 2.089 1
1 1019 . 3 1 1 A 80 80 SER CB C 80 63.500 63.024 0.476 1
1 1020 . 3 1 1 A 80 80 SER N N 80 110.857 114.504 -3.647 1
1 1021 . 3 1 1 A 81 81 GLN H H 81 7.095 7.679 -0.584 1
1 1022 . 3 1 1 A 81 81 GLN HA H 81 4.143 4.287 -0.144 1
1 1029 . 3 1 1 A 81 81 GLN C C 81 173.743 176.968 -3.225 1
1 1030 . 3 1 1 A 81 81 GLN CA C 81 55.894 56.249 -0.355 1
1 1031 . 3 1 1 A 81 81 GLN CB C 81 29.390 28.913 0.477 1
1 1033 . 3 1 1 A 81 81 GLN N N 81 117.056 119.866 -2.810 1
1 1035 . 3 1 1 A 82 82 LEU H H 82 7.495 7.597 -0.102 1
1 1036 . 3 1 1 A 82 82 LEU HA H 82 4.064 4.151 -0.087 1
1 1046 . 3 1 1 A 82 82 LEU C C 82 175.685 176.629 -0.944 1
1 1047 . 3 1 1 A 82 82 LEU CA C 82 55.730 55.473 0.257 1
1 1048 . 3 1 1 A 82 82 LEU CB C 82 41.740 42.395 -0.655 1
1 1052 . 3 1 1 A 82 82 LEU N N 82 123.191 119.263 3.928 1
1 1053 . 3 1 1 A 83 83 ASP H H 83 8.330 8.223 0.107 1
1 1054 . 3 1 1 A 83 83 ASP HA H 83 4.260 4.557 -0.297 1
1 1057 . 3 1 1 A 83 83 ASP C C 83 174.543 177.248 -2.705 1
1 1058 . 3 1 1 A 83 83 ASP CA C 83 57.056 55.914 1.142 1
1 1059 . 3 1 1 A 83 83 ASP CB C 83 41.590 40.648 0.942 1
1 1060 . 3 1 1 A 83 83 ASP N N 83 122.600 118.877 3.723 1
1 1061 . 3 1 1 A 84 84 LYS H H 84 8.152 8.274 -0.122 1
1 1062 . 3 1 1 A 84 84 LYS HA H 84 4.060 4.383 -0.323 1
1 1071 . 3 1 1 A 84 84 LYS C C 84 172.461 176.324 -3.863 1
1 1072 . 3 1 1 A 84 84 LYS CA C 84 57.301 57.266 0.035 1
1 1073 . 3 1 1 A 84 84 LYS CB C 84 31.140 32.376 -1.236 1
1 1077 . 3 1 1 A 84 84 LYS N N 84 113.797 117.097 -3.300 1
1 1078 . 3 1 1 A 85 85 VAL H H 85 7.290 7.496 -0.206 1
1 1079 . 3 1 1 A 85 85 VAL HA H 85 4.230 4.402 -0.172 1
1 1087 . 3 1 1 A 85 85 VAL C C 85 173.934 175.857 -1.923 1
1 1088 . 3 1 1 A 85 85 VAL CA C 85 63.300 61.911 1.389 1
1 1089 . 3 1 1 A 85 85 VAL CB C 85 32.320 32.810 -0.490 1
1 1092 . 3 1 1 A 85 85 VAL N N 85 118.733 120.536 -1.803 1
1 1093 . 3 1 1 A 86 86 VAL H H 86 9.093 9.099 -0.006 1
1 1094 . 3 1 1 A 86 86 VAL HA H 86 4.165 4.457 -0.292 1
1 1102 . 3 1 1 A 86 86 VAL C C 86 173.235 175.785 -2.550 1
1 1103 . 3 1 1 A 86 86 VAL CA C 86 62.144 62.177 -0.033 1
1 1104 . 3 1 1 A 86 86 VAL CB C 86 33.397 33.360 0.037 1
1 1107 . 3 1 1 A 86 86 VAL N N 86 125.341 123.843 1.498 1
1 1108 . 3 1 1 A 87 87 GLN H H 87 7.727 7.505 0.222 1
1 1109 . 3 1 1 A 87 87 GLN HA H 87 4.437 4.931 -0.494 1
1 1114 . 3 1 1 A 87 87 GLN C C 87 170.954 174.075 -3.121 1
1 1115 . 3 1 1 A 87 87 GLN CA C 87 56.370 55.111 1.259 1
1 1116 . 3 1 1 A 87 87 GLN CB C 87 32.420 31.892 0.528 1
1 1118 . 3 1 1 A 87 87 GLN N N 87 119.469 120.667 -1.198 1
1 1119 . 3 1 1 A 88 88 THR H H 88 8.087 8.895 -0.808 1
1 1120 . 3 1 1 A 88 88 THR HA H 88 4.857 5.319 -0.462 1
1 1125 . 3 1 1 A 88 88 THR CA C 88 61.850 60.565 1.285 1
1 1126 . 3 1 1 A 88 88 THR CB C 88 69.900 70.093 -0.193 1
1 1128 . 3 1 1 A 88 88 THR N N 88 119.679 118.105 1.574 1
1 1129 . 3 1 1 A 89 89 LEU HA H 89 4.851 5.314 -0.463 1
1 1139 . 3 1 1 A 89 89 LEU C C 89 174.211 177.301 -3.090 1
1 1140 . 3 1 1 A 89 89 LEU CA C 89 54.590 53.336 1.254 1
1 1141 . 3 1 1 A 89 89 LEU CB C 89 44.176 44.656 -0.480 1
1 1145 . 3 1 1 A 90 90 GLY H H 90 8.697 8.972 -0.275 1
1 1146 . 3 1 1 A 90 90 GLY HA2 H 90 4.181 4.153 0.028 1
1 1147 . 3 1 1 A 90 90 GLY HA3 H 90 4.267 4.312 -0.045 1
1 1148 . 3 1 1 A 90 90 GLY C C 90 170.516 174.202 -3.686 1
1 1149 . 3 1 1 A 90 90 GLY CA C 90 45.810 45.307 0.503 1
1 1150 . 3 1 1 A 90 90 GLY N N 90 109.859 114.366 -4.507 1
1 1 . 4 1 1 A 2 2 GLY HA2 H 2 3.721 4.084 -0.363 1
1 2 . 4 1 1 A 2 2 GLY HA3 H 2 3.721 4.093 -0.372 1
1 3 . 4 1 1 A 2 2 GLY CA C 2 43.440 45.502 -2.062 1
1 4 . 4 1 1 A 3 3 HIS HA H 3 4.602 5.166 -0.564 1
1 9 . 4 1 1 A 3 3 HIS C C 3 172.383 174.406 -2.023 1
1 10 . 4 1 1 A 3 3 HIS CA C 3 56.270 55.274 0.996 1
1 11 . 4 1 1 A 3 3 HIS CB C 3 30.850 32.892 -2.042 1
1 14 . 4 1 1 A 4 4 MET H H 4 8.397 8.536 -0.139 1
1 15 . 4 1 1 A 4 4 MET HA H 4 4.720 4.243 0.477 1
1 23 . 4 1 1 A 4 4 MET CA C 4 53.410 55.169 -1.759 1
1 24 . 4 1 1 A 4 4 MET CB C 4 32.550 32.463 0.087 1
1 27 . 4 1 1 A 4 4 MET N N 4 123.715 126.801 -3.086 1
1 28 . 4 1 1 A 5 5 PRO HA H 5 4.340 4.416 -0.076 1
1 35 . 4 1 1 A 5 5 PRO C C 5 174.369 176.282 -1.913 1
1 36 . 4 1 1 A 5 5 PRO CA C 5 63.686 62.637 1.049 1
1 37 . 4 1 1 A 5 5 PRO CB C 5 32.430 31.796 0.634 1
1 40 . 4 1 1 A 6 6 SER H H 6 8.337 8.582 -0.245 1
1 41 . 4 1 1 A 6 6 SER HA H 6 4.299 4.424 -0.125 1
1 44 . 4 1 1 A 6 6 SER C C 6 171.770 174.764 -2.994 1
1 45 . 4 1 1 A 6 6 SER CA C 6 58.800 57.464 1.336 1
1 46 . 4 1 1 A 6 6 SER CB C 6 63.896 62.690 1.206 1
1 47 . 4 1 1 A 6 6 SER N N 6 115.479 117.531 -2.052 1
1 48 . 4 1 1 A 7 7 ASP H H 7 8.269 8.811 -0.542 1
1 49 . 4 1 1 A 7 7 ASP HA H 7 4.545 4.467 0.078 1
1 52 . 4 1 1 A 7 7 ASP C C 7 173.646 177.956 -4.310 1
1 53 . 4 1 1 A 7 7 ASP CA C 7 54.571 56.700 -2.129 1
1 54 . 4 1 1 A 7 7 ASP CB C 7 41.353 41.168 0.185 1
1 55 . 4 1 1 A 7 7 ASP N N 7 122.367 127.145 -4.778 1
1 56 . 4 1 1 A 8 8 SER H H 8 8.126 7.896 0.230 1
1 57 . 4 1 1 A 8 8 SER HA H 8 4.337 4.194 0.143 1
1 60 . 4 1 1 A 8 8 SER C C 8 171.792 175.047 -3.255 1
1 61 . 4 1 1 A 8 8 SER CA C 8 58.950 61.313 -2.363 1
1 62 . 4 1 1 A 8 8 SER CB C 8 64.140 62.927 1.213 1
1 63 . 4 1 1 A 8 8 SER N N 8 116.038 114.586 1.452 1
1 64 . 4 1 1 A 9 9 LYS H H 9 8.400 7.829 0.571 1
1 65 . 4 1 1 A 9 9 LYS HA H 9 4.225 4.256 -0.031 1
1 74 . 4 1 1 A 9 9 LYS C C 9 173.626 175.871 -2.245 1
1 75 . 4 1 1 A 9 9 LYS CA C 9 56.391 56.026 0.365 1
1 76 . 4 1 1 A 9 9 LYS CB C 9 32.970 32.670 0.300 1
1 80 . 4 1 1 A 9 9 LYS N N 9 122.400 120.369 2.031 1
1 81 . 4 1 1 A 10 10 LYS H H 10 8.180 8.395 -0.215 1
1 82 . 4 1 1 A 10 10 LYS HA H 10 4.493 4.492 0.001 1
1 91 . 4 1 1 A 10 10 LYS CA C 10 54.500 54.634 -0.134 1
1 92 . 4 1 1 A 10 10 LYS CB C 10 32.750 31.755 0.995 1
1 96 . 4 1 1 A 10 10 LYS N N 10 123.900 125.574 -1.674 1
1 97 . 4 1 1 A 11 11 PRO HA H 11 4.404 4.496 -0.092 1
1 104 . 4 1 1 A 11 11 PRO C C 11 174.099 176.150 -2.051 1
1 105 . 4 1 1 A 11 11 PRO CA C 11 63.451 63.282 0.169 1
1 106 . 4 1 1 A 11 11 PRO CB C 11 32.405 31.943 0.462 1
1 109 . 4 1 1 A 12 12 THR H H 12 8.277 8.667 -0.390 1
1 110 . 4 1 1 A 12 12 THR HA H 12 4.156 4.784 -0.628 1
1 115 . 4 1 1 A 12 12 THR C C 12 171.255 174.214 -2.959 1
1 116 . 4 1 1 A 12 12 THR CA C 12 62.829 61.480 1.349 1
1 117 . 4 1 1 A 12 12 THR CB C 12 70.113 69.363 0.750 1
1 119 . 4 1 1 A 12 12 THR N N 12 116.775 118.953 -2.178 1
1 120 . 4 1 1 A 13 13 ILE H H 13 8.141 9.198 -1.057 1
1 121 . 4 1 1 A 13 13 ILE HA H 13 3.880 4.628 -0.748 1
1 131 . 4 1 1 A 13 13 ILE C C 13 171.936 175.385 -3.449 1
1 132 . 4 1 1 A 13 13 ILE CA C 13 61.000 60.511 0.489 1
1 133 . 4 1 1 A 13 13 ILE CB C 13 38.957 39.729 -0.772 1
1 137 . 4 1 1 A 13 13 ILE N N 13 126.554 128.140 -1.586 1
1 138 . 4 1 1 A 14 14 ILE H H 14 7.890 8.604 -0.714 1
1 139 . 4 1 1 A 14 14 ILE HA H 14 4.045 4.707 -0.662 1
1 149 . 4 1 1 A 14 14 ILE C C 14 171.624 174.976 -3.352 1
1 150 . 4 1 1 A 14 14 ILE CA C 14 60.132 60.323 -0.191 1
1 151 . 4 1 1 A 14 14 ILE CB C 14 38.760 38.205 0.555 1
1 155 . 4 1 1 A 14 14 ILE N N 14 127.503 127.731 -0.228 1
1 156 . 4 1 1 A 15 15 TYR H H 15 8.185 9.025 -0.840 1
1 165 . 4 1 1 A 15 15 TYR N N 15 123.664 126.750 -3.086 1
1 166 . 4 1 1 A 16 16 PRO HA H 16 5.087 5.151 -0.064 1
1 173 . 4 1 1 A 16 16 PRO C C 16 172.702 174.955 -2.253 1
1 174 . 4 1 1 A 16 16 PRO CA C 16 62.891 62.678 0.213 1
1 175 . 4 1 1 A 16 16 PRO CB C 16 36.288 33.335 2.953 1
1 178 . 4 1 1 A 17 17 CYS H H 17 8.579 8.664 -0.085 1
1 179 . 4 1 1 A 17 17 CYS HA H 17 4.924 4.931 -0.007 1
1 182 . 4 1 1 A 17 17 CYS C C 17 169.725 173.757 -4.032 1
1 183 . 4 1 1 A 17 17 CYS CA C 17 55.925 58.113 -2.188 1
1 184 . 4 1 1 A 17 17 CYS CB C 17 31.200 31.616 -0.416 1
1 185 . 4 1 1 A 17 17 CYS N N 17 114.797 119.320 -4.523 1
1 186 . 4 1 1 A 18 18 LEU H H 18 8.449 8.611 -0.162 1
1 187 . 4 1 1 A 18 18 LEU HA H 18 4.336 4.691 -0.355 1
1 197 . 4 1 1 A 18 18 LEU C C 18 172.529 176.001 -3.472 1
1 198 . 4 1 1 A 18 18 LEU CA C 18 55.600 54.771 0.829 1
1 199 . 4 1 1 A 18 18 LEU CB C 18 42.550 41.195 1.355 1
1 203 . 4 1 1 A 18 18 LEU N N 18 122.242 123.767 -1.525 1
1 204 . 4 1 1 A 19 19 TRP H H 19 9.079 9.234 -0.155 1
1 205 . 4 1 1 A 19 19 TRP HA H 19 4.300 4.998 -0.698 1
1 214 . 4 1 1 A 19 19 TRP C C 19 170.195 174.403 -4.208 1
1 215 . 4 1 1 A 19 19 TRP CA C 19 56.750 56.186 0.564 1
1 216 . 4 1 1 A 19 19 TRP CB C 19 33.935 32.140 1.795 1
1 222 . 4 1 1 A 19 19 TRP N N 19 130.082 127.581 2.501 1
1 224 . 4 1 1 A 20 20 ASP H H 20 6.314 8.272 -1.958 1
1 225 . 4 1 1 A 20 20 ASP HA H 20 5.559 5.290 0.269 1
1 228 . 4 1 1 A 20 20 ASP C C 20 172.285 174.056 -1.771 1
1 229 . 4 1 1 A 20 20 ASP CA C 20 52.900 52.718 0.182 1
1 230 . 4 1 1 A 20 20 ASP CB C 20 43.450 43.727 -0.277 1
1 231 . 4 1 1 A 20 20 ASP N N 20 122.801 128.494 -5.693 1
1 232 . 4 1 1 A 21 21 TYR H H 21 9.519 9.680 -0.161 1
1 233 . 4 1 1 A 21 21 TYR HA H 21 4.975 5.275 -0.300 1
1 240 . 4 1 1 A 21 21 TYR C C 21 172.202 174.378 -2.176 1
1 241 . 4 1 1 A 21 21 TYR CA C 21 56.910 56.348 0.562 1
1 242 . 4 1 1 A 21 21 TYR CB C 21 40.850 42.465 -1.615 1
1 247 . 4 1 1 A 21 21 TYR N N 21 120.749 124.645 -3.896 1
1 248 . 4 1 1 A 22 22 ARG H H 22 8.758 9.364 -0.606 1
1 249 . 4 1 1 A 22 22 ARG HA H 22 5.189 4.977 0.212 1
1 256 . 4 1 1 A 22 22 ARG C C 22 172.210 175.035 -2.825 1
1 257 . 4 1 1 A 22 22 ARG CA C 22 55.180 55.015 0.165 1
1 258 . 4 1 1 A 22 22 ARG CB C 22 31.360 32.048 -0.688 1
1 261 . 4 1 1 A 22 22 ARG N N 22 124.405 124.072 0.333 1
1 262 . 4 1 1 A 23 23 VAL H H 23 9.170 9.374 -0.204 1
1 263 . 4 1 1 A 23 23 VAL HA H 23 4.591 4.678 -0.087 1
1 271 . 4 1 1 A 23 23 VAL C C 23 171.354 175.135 -3.781 1
1 272 . 4 1 1 A 23 23 VAL CA C 23 61.836 61.809 0.027 1
1 273 . 4 1 1 A 23 23 VAL CB C 23 35.725 32.595 3.130 1
1 276 . 4 1 1 A 23 23 VAL N N 23 125.900 127.356 -1.456 1
1 277 . 4 1 1 A 24 24 ILE H H 24 8.919 9.294 -0.375 1
1 278 . 4 1 1 A 24 24 ILE HA H 24 5.119 5.073 0.046 1
1 288 . 4 1 1 A 24 24 ILE C C 24 173.492 175.029 -1.537 1
1 289 . 4 1 1 A 24 24 ILE CA C 24 60.567 60.528 0.039 1
1 290 . 4 1 1 A 24 24 ILE CB C 24 38.346 38.138 0.208 1
1 294 . 4 1 1 A 24 24 ILE N N 24 127.789 128.960 -1.171 1
1 295 . 4 1 1 A 25 25 MET H H 25 9.857 9.169 0.688 1
1 296 . 4 1 1 A 25 25 MET HA H 25 6.017 5.249 0.768 1
1 304 . 4 1 1 A 25 25 MET C C 25 174.379 177.139 -2.760 1
1 305 . 4 1 1 A 25 25 MET CA C 25 54.898 54.269 0.629 1
1 306 . 4 1 1 A 25 25 MET CB C 25 40.260 35.450 4.810 1
1 309 . 4 1 1 A 25 25 MET N N 25 124.403 126.633 -2.230 1
1 310 . 4 1 1 A 26 26 THR H H 26 8.843 8.264 0.579 1
1 311 . 4 1 1 A 26 26 THR HA H 26 4.875 4.834 0.041 1
1 316 . 4 1 1 A 26 26 THR C C 26 170.849 174.104 -3.255 1
1 317 . 4 1 1 A 26 26 THR CA C 26 61.826 62.798 -0.972 1
1 318 . 4 1 1 A 26 26 THR CB C 26 68.846 68.988 -0.142 1
1 320 . 4 1 1 A 26 26 THR N N 26 108.669 114.460 -5.791 1
1 321 . 4 1 1 A 27 27 THR H H 27 7.342 7.872 -0.530 1
1 322 . 4 1 1 A 27 27 THR HA H 27 4.618 4.856 -0.238 1
1 327 . 4 1 1 A 27 27 THR C C 27 166.898 173.847 -6.949 1
1 328 . 4 1 1 A 27 27 THR CA C 27 58.657 60.016 -1.359 1
1 329 . 4 1 1 A 27 27 THR CB C 27 69.696 70.956 -1.260 1
1 331 . 4 1 1 A 27 27 THR N N 27 114.866 116.240 -1.374 1
1 332 . 4 1 1 A 28 28 LYS H H 28 7.638 8.716 -1.078 1
1 333 . 4 1 1 A 28 28 LYS HA H 28 3.991 4.441 -0.450 1
1 342 . 4 1 1 A 28 28 LYS C C 28 173.190 175.939 -2.749 1
1 343 . 4 1 1 A 28 28 LYS CA C 28 55.731 56.769 -1.038 1
1 344 . 4 1 1 A 28 28 LYS CB C 28 32.790 32.466 0.324 1
1 348 . 4 1 1 A 28 28 LYS N N 28 121.283 125.261 -3.978 1
1 349 . 4 1 1 A 29 29 ASP H H 29 8.184 7.453 0.731 1
1 350 . 4 1 1 A 29 29 ASP HA H 29 4.401 4.578 -0.177 1
1 353 . 4 1 1 A 29 29 ASP C C 29 173.830 174.739 -0.909 1
1 354 . 4 1 1 A 29 29 ASP CA C 29 53.979 53.417 0.562 1
1 355 . 4 1 1 A 29 29 ASP CB C 29 40.730 40.243 0.487 1
1 356 . 4 1 1 A 29 29 ASP N N 29 120.231 120.493 -0.262 1
1 357 . 4 1 1 A 30 30 THR H H 30 7.830 8.449 -0.619 1
1 358 . 4 1 1 A 30 30 THR HA H 30 3.742 4.545 -0.803 1
1 363 . 4 1 1 A 30 30 THR C C 30 172.987 173.646 -0.659 1
1 364 . 4 1 1 A 30 30 THR CA C 30 61.299 60.157 1.142 1
1 365 . 4 1 1 A 30 30 THR CB C 30 69.294 68.299 0.995 1
1 367 . 4 1 1 A 30 30 THR N N 30 115.459 120.887 -5.428 1
1 368 . 4 1 1 A 31 31 SER H H 31 8.561 8.353 0.208 1
1 369 . 4 1 1 A 31 31 SER HA H 31 3.875 4.570 -0.695 1
1 372 . 4 1 1 A 31 31 SER CA C 31 63.520 58.550 4.970 1
1 373 . 4 1 1 A 31 31 SER CB C 31 62.332 63.823 -1.491 1
1 374 . 4 1 1 A 31 31 SER N N 31 119.763 121.551 -1.788 1
1 375 . 4 1 1 A 32 32 THR HA H 32 3.961 3.990 -0.029 1
1 380 . 4 1 1 A 32 32 THR C C 32 173.850 176.200 -2.350 1
1 381 . 4 1 1 A 32 32 THR CA C 32 65.447 66.690 -1.243 1
1 382 . 4 1 1 A 32 32 THR CB C 32 68.715 68.666 0.049 1
1 384 . 4 1 1 A 33 33 LEU H H 33 7.209 8.057 -0.848 1
1 385 . 4 1 1 A 33 33 LEU HA H 33 3.950 3.922 0.028 1
1 395 . 4 1 1 A 33 33 LEU C C 33 174.505 178.811 -4.306 1
1 396 . 4 1 1 A 33 33 LEU CA C 33 57.653 58.111 -0.458 1
1 397 . 4 1 1 A 33 33 LEU CB C 33 42.210 41.615 0.595 1
1 401 . 4 1 1 A 33 33 LEU N N 33 125.158 121.869 3.289 1
1 402 . 4 1 1 A 34 34 LYS H H 34 8.671 8.013 0.658 1
1 403 . 4 1 1 A 34 34 LYS HA H 34 3.552 3.667 -0.115 1
1 412 . 4 1 1 A 34 34 LYS C C 34 174.794 179.871 -5.077 1
1 413 . 4 1 1 A 34 34 LYS CA C 34 61.226 60.194 1.032 1
1 414 . 4 1 1 A 34 34 LYS CB C 34 32.880 32.126 0.754 1
1 418 . 4 1 1 A 34 34 LYS N N 34 119.112 119.121 -0.009 1
1 419 . 4 1 1 A 35 35 GLU H H 35 7.813 7.961 -0.148 1
1 420 . 4 1 1 A 35 35 GLU HA H 35 3.863 4.001 -0.138 1
1 425 . 4 1 1 A 35 35 GLU C C 35 176.222 178.950 -2.728 1
1 426 . 4 1 1 A 35 35 GLU CA C 35 59.721 59.163 0.558 1
1 427 . 4 1 1 A 35 35 GLU CB C 35 29.898 29.206 0.692 1
1 429 . 4 1 1 A 35 35 GLU N N 35 116.554 120.314 -3.760 1
1 430 . 4 1 1 A 36 36 LEU H H 36 7.153 7.586 -0.433 1
1 431 . 4 1 1 A 36 36 LEU HA H 36 4.175 3.985 0.190 1
1 441 . 4 1 1 A 36 36 LEU C C 36 177.281 179.205 -1.924 1
1 442 . 4 1 1 A 36 36 LEU CA C 36 58.018 58.070 -0.052 1
1 443 . 4 1 1 A 36 36 LEU CB C 36 41.720 41.383 0.337 1
1 447 . 4 1 1 A 36 36 LEU N N 36 119.071 119.185 -0.114 1
1 448 . 4 1 1 A 37 37 LEU H H 37 8.245 8.047 0.198 1
1 449 . 4 1 1 A 37 37 LEU HA H 37 3.749 3.890 -0.141 1
1 459 . 4 1 1 A 37 37 LEU C C 37 177.903 179.580 -1.677 1
1 460 . 4 1 1 A 37 37 LEU CA C 37 58.278 58.310 -0.032 1
1 461 . 4 1 1 A 37 37 LEU CB C 37 39.600 39.745 -0.145 1
1 465 . 4 1 1 A 37 37 LEU N N 37 121.326 119.089 2.237 1
1 466 . 4 1 1 A 38 38 GLU H H 38 8.641 8.214 0.427 1
1 467 . 4 1 1 A 38 38 GLU HA H 38 4.320 4.313 0.007 1
1 472 . 4 1 1 A 38 38 GLU C C 38 177.074 179.183 -2.109 1
1 473 . 4 1 1 A 38 38 GLU CA C 38 59.619 59.448 0.171 1
1 474 . 4 1 1 A 38 38 GLU CB C 38 29.850 29.137 0.713 1
1 476 . 4 1 1 A 38 38 GLU N N 38 119.504 118.887 0.617 1
1 477 . 4 1 1 A 39 39 THR H H 39 7.653 7.592 0.061 1
1 478 . 4 1 1 A 39 39 THR HA H 39 4.097 4.097 0.000 1
1 483 . 4 1 1 A 39 39 THR C C 39 173.229 175.399 -2.170 1
1 484 . 4 1 1 A 39 39 THR CA C 39 65.080 65.065 0.015 1
1 485 . 4 1 1 A 39 39 THR CB C 39 69.952 68.448 1.504 1
1 487 . 4 1 1 A 39 39 THR N N 39 110.838 112.940 -2.102 1
1 488 . 4 1 1 A 40 40 TYR H H 40 7.478 7.614 -0.136 1
1 489 . 4 1 1 A 40 40 TYR HA H 40 4.073 4.679 -0.606 1
1 496 . 4 1 1 A 40 40 TYR C C 40 172.486 175.007 -2.521 1
1 497 . 4 1 1 A 40 40 TYR CA C 40 61.549 56.965 4.584 1
1 498 . 4 1 1 A 40 40 TYR CB C 40 37.140 38.135 -0.995 1
1 503 . 4 1 1 A 40 40 TYR N N 40 118.654 120.369 -1.715 1
1 504 . 4 1 1 A 41 41 GLN H H 41 7.901 8.024 -0.123 1
1 505 . 4 1 1 A 41 41 GLN HA H 41 3.963 3.920 0.043 1
1 512 . 4 1 1 A 41 41 GLN C C 41 171.223 174.233 -3.010 1
1 513 . 4 1 1 A 41 41 GLN CA C 41 57.158 57.208 -0.050 1
1 514 . 4 1 1 A 41 41 GLN CB C 41 27.330 26.063 1.267 1
1 516 . 4 1 1 A 41 41 GLN N N 41 116.315 116.073 0.242 1
1 518 . 4 1 1 A 42 42 ARG H H 42 8.493 7.745 0.748 1
1 519 . 4 1 1 A 42 42 ARG HA H 42 5.052 5.003 0.049 1
1 527 . 4 1 1 A 42 42 ARG CA C 42 54.040 53.625 0.415 1
1 528 . 4 1 1 A 42 42 ARG CB C 42 30.650 32.795 -2.145 1
1 531 . 4 1 1 A 42 42 ARG N N 42 115.494 115.058 0.436 1
1 533 . 4 1 1 A 43 43 PRO HA H 43 4.390 4.854 -0.464 1
1 540 . 4 1 1 A 43 43 PRO C C 43 172.836 176.471 -3.635 1
1 541 . 4 1 1 A 43 43 PRO CA C 43 63.574 62.669 0.905 1
1 542 . 4 1 1 A 43 43 PRO CB C 43 32.500 33.437 -0.937 1
1 545 . 4 1 1 A 44 44 PHE H H 44 7.742 8.569 -0.827 1
1 546 . 4 1 1 A 44 44 PHE HA H 44 5.281 5.192 0.089 1
1 554 . 4 1 1 A 44 44 PHE C C 44 170.840 172.248 -1.408 1
1 555 . 4 1 1 A 44 44 PHE CA C 44 56.174 55.991 0.183 1
1 556 . 4 1 1 A 44 44 PHE CB C 44 42.280 41.642 0.638 1
1 562 . 4 1 1 A 44 44 PHE N N 44 115.046 117.509 -2.463 1
1 563 . 4 1 1 A 45 45 LYS H H 45 8.944 9.217 -0.273 1
1 564 . 4 1 1 A 45 45 LYS HA H 45 4.641 4.828 -0.187 1
1 573 . 4 1 1 A 45 45 LYS C C 45 171.934 174.742 -2.808 1
1 574 . 4 1 1 A 45 45 LYS CA C 45 55.210 55.130 0.080 1
1 575 . 4 1 1 A 45 45 LYS CB C 45 35.600 34.119 1.481 1
1 579 . 4 1 1 A 45 45 LYS N N 45 121.090 121.024 0.066 1
1 580 . 4 1 1 A 46 46 LEU H H 46 8.897 9.089 -0.192 1
1 581 . 4 1 1 A 46 46 LEU HA H 46 5.332 5.655 -0.323 1
1 590 . 4 1 1 A 46 46 LEU C C 46 172.666 174.992 -2.326 1
1 591 . 4 1 1 A 46 46 LEU CA C 46 54.510 53.746 0.764 1
1 592 . 4 1 1 A 46 46 LEU CB C 46 44.620 44.717 -0.097 1
1 595 . 4 1 1 A 46 46 LEU N N 46 128.615 129.053 -0.438 1
1 596 . 4 1 1 A 47 47 GLU H H 47 9.220 9.367 -0.147 1
1 597 . 4 1 1 A 47 47 GLU HA H 47 4.911 5.076 -0.165 1
1 602 . 4 1 1 A 47 47 GLU C C 47 172.392 174.882 -2.490 1
1 603 . 4 1 1 A 47 47 GLU CA C 47 54.980 54.604 0.376 1
1 604 . 4 1 1 A 47 47 GLU CB C 47 34.490 33.368 1.122 1
1 606 . 4 1 1 A 47 47 GLU N N 47 125.300 126.186 -0.886 1
1 607 . 4 1 1 A 48 48 PHE H H 48 9.157 9.142 0.015 1
1 608 . 4 1 1 A 48 48 PHE HA H 48 4.302 5.017 -0.715 1
1 616 . 4 1 1 A 48 48 PHE C C 48 171.971 174.490 -2.519 1
1 617 . 4 1 1 A 48 48 PHE CA C 48 58.240 57.112 1.128 1
1 618 . 4 1 1 A 48 48 PHE CB C 48 39.410 39.975 -0.565 1
1 624 . 4 1 1 A 48 48 PHE N N 48 126.911 124.410 2.501 1
1 625 . 4 1 1 A 49 49 LYS H H 49 8.256 8.564 -0.308 1
1 626 . 4 1 1 A 49 49 LYS HA H 49 4.176 4.138 0.038 1
1 635 . 4 1 1 A 49 49 LYS C C 49 172.030 176.419 -4.389 1
1 636 . 4 1 1 A 49 49 LYS CA C 49 55.244 57.813 -2.569 1
1 637 . 4 1 1 A 49 49 LYS CB C 49 32.640 32.470 0.170 1
1 641 . 4 1 1 A 49 49 LYS N N 49 127.526 126.740 0.786 1
1 642 . 4 1 1 A 50 50 ASN H H 50 7.062 7.361 -0.299 1
1 643 . 4 1 1 A 50 50 ASN HA H 50 4.353 5.018 -0.665 1
1 648 . 4 1 1 A 50 50 ASN C C 50 171.278 172.599 -1.321 1
1 649 . 4 1 1 A 50 50 ASN CA C 50 53.807 51.601 2.206 1
1 650 . 4 1 1 A 50 50 ASN CB C 50 40.460 43.342 -2.882 1
1 651 . 4 1 1 A 50 50 ASN N N 50 115.764 113.952 1.812 1
1 653 . 4 1 1 A 51 51 THR H H 51 8.217 8.651 -0.434 1
1 654 . 4 1 1 A 51 51 THR HA H 51 4.685 5.255 -0.570 1
1 659 . 4 1 1 A 51 51 THR C C 51 171.816 172.081 -0.265 1
1 660 . 4 1 1 A 51 51 THR CA C 51 61.243 60.132 1.111 1
1 661 . 4 1 1 A 51 51 THR CB C 51 70.632 72.053 -1.421 1
1 663 . 4 1 1 A 51 51 THR N N 51 114.341 114.654 -0.313 1
1 664 . 4 1 1 A 52 52 SER H H 52 8.314 8.607 -0.293 1
1 665 . 4 1 1 A 52 52 SER HA H 52 4.395 4.654 -0.259 1
1 668 . 4 1 1 A 52 52 SER CA C 52 58.470 58.186 0.284 1
1 669 . 4 1 1 A 52 52 SER CB C 52 64.580 64.121 0.459 1
1 670 . 4 1 1 A 52 52 SER N N 52 118.503 121.224 -2.721 1
1 671 . 4 1 1 A 54 54 ASN HA H 54 4.484 4.812 -0.328 1
1 676 . 4 1 1 A 54 54 ASN C C 54 171.753 174.572 -2.819 1
1 677 . 4 1 1 A 54 54 ASN CA C 54 53.296 52.285 1.011 1
1 678 . 4 1 1 A 54 54 ASN CB C 54 38.080 38.263 -0.183 1
1 680 . 4 1 1 A 55 55 ALA H H 55 7.927 7.960 -0.033 1
1 681 . 4 1 1 A 55 55 ALA HA H 55 3.759 4.138 -0.379 1
1 685 . 4 1 1 A 55 55 ALA C C 55 173.386 177.018 -3.632 1
1 686 . 4 1 1 A 55 55 ALA CA C 55 53.266 53.188 0.078 1
1 687 . 4 1 1 A 55 55 ALA CB C 55 18.180 17.985 0.195 1
1 688 . 4 1 1 A 55 55 ALA N N 55 120.429 120.127 0.302 1
1 689 . 4 1 1 A 56 56 LYS H H 56 7.426 7.589 -0.163 1
1 690 . 4 1 1 A 56 56 LYS HA H 56 3.919 3.724 0.195 1
1 702 . 4 1 1 A 56 56 LYS C C 56 172.612 175.799 -3.187 1
1 703 . 4 1 1 A 56 56 LYS CA C 56 57.113 58.272 -1.159 1
1 704 . 4 1 1 A 56 56 LYS CB C 56 33.566 32.343 1.223 1
1 708 . 4 1 1 A 56 56 LYS N N 56 116.392 117.573 -1.181 1
1 710 . 4 1 1 A 57 57 PHE H H 57 7.253 7.704 -0.451 1
1 711 . 4 1 1 A 57 57 PHE HA H 57 5.062 5.111 -0.049 1
1 719 . 4 1 1 A 57 57 PHE C C 57 171.527 174.102 -2.575 1
1 720 . 4 1 1 A 57 57 PHE CA C 57 54.920 56.190 -1.270 1
1 721 . 4 1 1 A 57 57 PHE CB C 57 41.910 40.614 1.296 1
1 727 . 4 1 1 A 57 57 PHE N N 57 113.835 116.062 -2.227 1
1 728 . 4 1 1 A 58 58 TYR H H 58 9.172 9.361 -0.189 1
1 729 . 4 1 1 A 58 58 TYR HA H 58 4.746 5.029 -0.283 1
1 736 . 4 1 1 A 58 58 TYR C C 58 171.294 175.051 -3.757 1
1 737 . 4 1 1 A 58 58 TYR CA C 58 57.770 57.436 0.334 1
1 738 . 4 1 1 A 58 58 TYR CB C 58 41.784 40.090 1.694 1
1 743 . 4 1 1 A 58 58 TYR N N 58 121.139 124.296 -3.157 1
1 744 . 4 1 1 A 59 59 SER H H 59 8.786 8.996 -0.210 1
1 745 . 4 1 1 A 59 59 SER HA H 59 5.399 4.825 0.574 1
1 748 . 4 1 1 A 59 59 SER C C 59 170.105 173.448 -3.343 1
1 749 . 4 1 1 A 59 59 SER CA C 59 57.650 58.180 -0.530 1
1 750 . 4 1 1 A 59 59 SER CB C 59 65.220 63.596 1.624 1
1 751 . 4 1 1 A 59 59 SER N N 59 118.511 120.947 -2.436 1
1 752 . 4 1 1 A 60 60 PHE H H 60 9.389 9.548 -0.159 1
1 753 . 4 1 1 A 60 60 PHE HA H 60 5.210 5.163 0.047 1
1 761 . 4 1 1 A 60 60 PHE C C 60 172.188 174.309 -2.121 1
1 762 . 4 1 1 A 60 60 PHE CA C 60 56.824 56.595 0.229 1
1 763 . 4 1 1 A 60 60 PHE CB C 60 43.645 41.715 1.930 1
1 769 . 4 1 1 A 60 60 PHE N N 60 121.864 126.516 -4.652 1
1 770 . 4 1 1 A 61 61 ASN H H 61 9.448 9.440 0.008 1
1 771 . 4 1 1 A 61 61 ASN HA H 61 5.564 5.633 -0.069 1
1 776 . 4 1 1 A 61 61 ASN C C 61 171.756 173.976 -2.220 1
1 777 . 4 1 1 A 61 61 ASN CA C 61 53.012 51.943 1.069 1
1 778 . 4 1 1 A 61 61 ASN CB C 61 42.580 41.903 0.677 1
1 779 . 4 1 1 A 61 61 ASN N N 61 121.107 119.480 1.627 1
1 781 . 4 1 1 A 62 62 VAL H H 62 9.361 9.170 0.191 1
1 782 . 4 1 1 A 62 62 VAL HA H 62 5.159 5.032 0.127 1
1 790 . 4 1 1 A 62 62 VAL C C 62 171.964 174.994 -3.030 1
1 791 . 4 1 1 A 62 62 VAL CA C 62 60.991 61.428 -0.437 1
1 792 . 4 1 1 A 62 62 VAL CB C 62 35.350 34.002 1.348 1
1 795 . 4 1 1 A 62 62 VAL N N 62 126.781 125.878 0.903 1
1 796 . 4 1 1 A 63 63 SER H H 63 8.750 9.283 -0.533 1
1 797 . 4 1 1 A 63 63 SER HA H 63 5.955 5.775 0.180 1
1 800 . 4 1 1 A 63 63 SER C C 63 171.905 173.595 -1.690 1
1 801 . 4 1 1 A 63 63 SER CA C 63 56.587 57.626 -1.039 1
1 802 . 4 1 1 A 63 63 SER CB C 63 65.231 64.489 0.742 1
1 803 . 4 1 1 A 63 63 SER N N 63 120.886 125.430 -4.544 1
1 804 . 4 1 1 A 64 64 MET H H 64 8.918 9.020 -0.102 1
1 805 . 4 1 1 A 64 64 MET HA H 64 4.622 5.315 -0.693 1
1 813 . 4 1 1 A 64 64 MET C C 64 170.352 175.116 -4.764 1
1 814 . 4 1 1 A 64 64 MET CA C 64 55.950 53.687 2.263 1
1 815 . 4 1 1 A 64 64 MET CB C 64 38.000 36.056 1.944 1
1 818 . 4 1 1 A 64 64 MET N N 64 123.839 122.757 1.082 1
1 819 . 4 1 1 A 65 65 GLU H H 65 9.213 8.335 0.878 1
1 820 . 4 1 1 A 65 65 GLU HA H 65 4.740 4.779 -0.039 1
1 825 . 4 1 1 A 65 65 GLU C C 65 172.659 176.462 -3.803 1
1 826 . 4 1 1 A 65 65 GLU CA C 65 57.547 56.499 1.048 1
1 827 . 4 1 1 A 65 65 GLU CB C 65 31.100 30.333 0.767 1
1 829 . 4 1 1 A 65 65 GLU N N 65 125.938 119.479 6.459 1
1 830 . 4 1 1 A 66 66 VAL H H 66 9.031 9.049 -0.018 1
1 831 . 4 1 1 A 66 66 VAL HA H 66 4.632 4.734 -0.102 1
1 839 . 4 1 1 A 66 66 VAL C C 66 174.252 176.332 -2.080 1
1 840 . 4 1 1 A 66 66 VAL CA C 66 59.454 60.559 -1.105 1
1 841 . 4 1 1 A 66 66 VAL CB C 66 35.450 34.209 1.241 1
1 844 . 4 1 1 A 66 66 VAL N N 66 117.398 120.560 -3.162 1
1 845 . 4 1 1 A 67 67 SER H H 67 9.309 8.993 0.316 1
1 846 . 4 1 1 A 67 67 SER HA H 67 4.185 4.473 -0.288 1
1 849 . 4 1 1 A 67 67 SER C C 67 170.646 174.323 -3.677 1
1 850 . 4 1 1 A 67 67 SER CA C 67 61.719 61.139 0.580 1
1 851 . 4 1 1 A 67 67 SER CB C 67 64.540 63.532 1.008 1
1 852 . 4 1 1 A 67 67 SER N N 67 116.754 118.300 -1.546 1
1 853 . 4 1 1 A 68 68 ASN H H 68 7.279 8.097 -0.818 1
1 854 . 4 1 1 A 68 68 ASN HA H 68 3.345 4.575 -1.230 1
1 859 . 4 1 1 A 68 68 ASN C C 68 170.781 175.324 -4.543 1
1 860 . 4 1 1 A 68 68 ASN CA C 68 51.758 51.868 -0.110 1
1 861 . 4 1 1 A 68 68 ASN CB C 68 38.809 38.760 0.049 1
1 862 . 4 1 1 A 68 68 ASN N N 68 110.062 113.712 -3.650 1
1 864 . 4 1 1 A 69 69 GLU H H 69 8.126 8.254 -0.128 1
1 865 . 4 1 1 A 69 69 GLU HA H 69 3.337 3.679 -0.342 1
1 870 . 4 1 1 A 69 69 GLU C C 69 174.537 178.346 -3.809 1
1 871 . 4 1 1 A 69 69 GLU CA C 69 59.749 58.739 1.010 1
1 872 . 4 1 1 A 69 69 GLU CB C 69 30.250 29.075 1.175 1
1 874 . 4 1 1 A 69 69 GLU N N 69 120.604 118.264 2.340 1
1 875 . 4 1 1 A 70 70 SER H H 70 7.981 8.252 -0.271 1
1 876 . 4 1 1 A 70 70 SER HA H 70 4.030 4.036 -0.006 1
1 879 . 4 1 1 A 70 70 SER C C 70 174.715 176.883 -2.168 1
1 880 . 4 1 1 A 70 70 SER CA C 70 62.097 61.692 0.405 1
1 881 . 4 1 1 A 70 70 SER CB C 70 62.350 62.820 -0.470 1
1 882 . 4 1 1 A 70 70 SER N N 70 114.770 117.139 -2.369 1
1 883 . 4 1 1 A 71 71 GLU H H 71 8.572 7.702 0.870 1
1 884 . 4 1 1 A 71 71 GLU HA H 71 3.927 4.132 -0.205 1
1 889 . 4 1 1 A 71 71 GLU C C 71 174.769 179.324 -4.555 1
1 890 . 4 1 1 A 71 71 GLU CA C 71 59.849 59.335 0.514 1
1 891 . 4 1 1 A 71 71 GLU CB C 71 30.950 29.713 1.237 1
1 893 . 4 1 1 A 71 71 GLU N N 71 124.163 122.096 2.067 1
1 894 . 4 1 1 A 72 72 ARG H H 72 7.797 7.748 0.049 1
1 895 . 4 1 1 A 72 72 ARG HA H 72 3.776 4.473 -0.697 1
1 900 . 4 1 1 A 72 72 ARG C C 72 177.552 178.070 -0.518 1
1 901 . 4 1 1 A 72 72 ARG CA C 72 58.680 57.884 0.796 1
1 902 . 4 1 1 A 72 72 ARG CB C 72 30.110 28.398 1.712 1
1 905 . 4 1 1 A 72 72 ARG N N 72 118.396 118.608 -0.212 1
1 906 . 4 1 1 A 73 73 ASN H H 73 8.175 7.991 0.184 1
1 907 . 4 1 1 A 73 73 ASN HA H 73 4.461 4.724 -0.263 1
1 912 . 4 1 1 A 73 73 ASN C C 73 174.089 177.779 -3.690 1
1 913 . 4 1 1 A 73 73 ASN CA C 73 55.500 54.828 0.672 1
1 914 . 4 1 1 A 73 73 ASN CB C 73 37.844 39.383 -1.539 1
1 915 . 4 1 1 A 73 73 ASN N N 73 118.156 117.041 1.115 1
1 917 . 4 1 1 A 74 74 GLU H H 74 8.473 7.960 0.513 1
1 918 . 4 1 1 A 74 74 GLU HA H 74 3.954 4.135 -0.181 1
1 923 . 4 1 1 A 74 74 GLU C C 74 175.719 179.200 -3.481 1
1 924 . 4 1 1 A 74 74 GLU CA C 74 60.093 59.347 0.746 1
1 925 . 4 1 1 A 74 74 GLU CB C 74 30.460 29.296 1.164 1
1 927 . 4 1 1 A 74 74 GLU N N 74 124.825 117.996 6.829 1
1 928 . 4 1 1 A 75 75 ILE H H 75 8.273 8.058 0.215 1
1 929 . 4 1 1 A 75 75 ILE HA H 75 3.229 3.688 -0.459 1
1 939 . 4 1 1 A 75 75 ILE C C 75 174.591 178.156 -3.565 1
1 940 . 4 1 1 A 75 75 ILE CA C 75 66.460 64.693 1.767 1
1 941 . 4 1 1 A 75 75 ILE CB C 75 38.262 37.008 1.254 1
1 945 . 4 1 1 A 75 75 ILE N N 75 120.282 121.823 -1.541 1
1 946 . 4 1 1 A 76 76 PHE H H 76 7.233 8.431 -1.198 1
1 947 . 4 1 1 A 76 76 PHE HA H 76 3.600 4.079 -0.479 1
1 955 . 4 1 1 A 76 76 PHE C C 76 175.036 177.732 -2.696 1
1 956 . 4 1 1 A 76 76 PHE CA C 76 62.227 61.195 1.032 1
1 957 . 4 1 1 A 76 76 PHE CB C 76 40.170 39.584 0.586 1
1 963 . 4 1 1 A 76 76 PHE N N 76 117.265 121.477 -4.212 1
1 964 . 4 1 1 A 77 77 GLN H H 77 8.262 7.969 0.293 1
1 965 . 4 1 1 A 77 77 GLN HA H 77 3.753 3.955 -0.202 1
1 972 . 4 1 1 A 77 77 GLN C C 77 176.132 178.555 -2.423 1
1 973 . 4 1 1 A 77 77 GLN CA C 77 59.113 59.163 -0.050 1
1 974 . 4 1 1 A 77 77 GLN CB C 77 28.487 28.343 0.144 1
1 976 . 4 1 1 A 77 77 GLN N N 77 118.919 118.391 0.528 1
1 978 . 4 1 1 A 78 78 LYS H H 78 8.508 7.886 0.622 1
1 979 . 4 1 1 A 78 78 LYS HA H 78 3.804 4.056 -0.252 1
1 988 . 4 1 1 A 78 78 LYS C C 78 177.438 179.157 -1.719 1
1 989 . 4 1 1 A 78 78 LYS CA C 78 60.107 59.117 0.990 1
1 990 . 4 1 1 A 78 78 LYS CB C 78 33.160 32.681 0.479 1
1 994 . 4 1 1 A 78 78 LYS N N 78 119.345 119.344 0.001 1
1 995 . 4 1 1 A 79 79 ILE H H 79 8.395 7.883 0.512 1
1 996 . 4 1 1 A 79 79 ILE HA H 79 3.182 3.689 -0.507 1
1 1006 . 4 1 1 A 79 79 ILE C C 79 174.721 177.317 -2.596 1
1 1007 . 4 1 1 A 79 79 ILE CA C 79 66.280 64.988 1.292 1
1 1008 . 4 1 1 A 79 79 ILE CB C 79 38.360 37.360 1.000 1
1 1012 . 4 1 1 A 79 79 ILE N N 79 120.117 120.556 -0.439 1
1 1013 . 4 1 1 A 80 80 SER H H 80 7.459 7.804 -0.345 1
1 1014 . 4 1 1 A 80 80 SER HA H 80 3.868 4.127 -0.259 1
1 1017 . 4 1 1 A 80 80 SER C C 80 171.998 176.203 -4.205 1
1 1018 . 4 1 1 A 80 80 SER CA C 80 61.444 60.874 0.570 1
1 1019 . 4 1 1 A 80 80 SER CB C 80 63.500 62.885 0.615 1
1 1020 . 4 1 1 A 80 80 SER N N 80 110.857 116.991 -6.134 1
1 1021 . 4 1 1 A 81 81 GLN H H 81 7.095 7.646 -0.551 1
1 1022 . 4 1 1 A 81 81 GLN HA H 81 4.143 4.179 -0.036 1
1 1029 . 4 1 1 A 81 81 GLN C C 81 173.743 176.977 -3.234 1
1 1030 . 4 1 1 A 81 81 GLN CA C 81 55.894 57.945 -2.051 1
1 1031 . 4 1 1 A 81 81 GLN CB C 81 29.390 28.369 1.021 1
1 1033 . 4 1 1 A 81 81 GLN N N 81 117.056 120.154 -3.098 1
1 1035 . 4 1 1 A 82 82 LEU H H 82 7.495 7.583 -0.088 1
1 1036 . 4 1 1 A 82 82 LEU HA H 82 4.064 4.198 -0.134 1
1 1046 . 4 1 1 A 82 82 LEU C C 82 175.685 176.658 -0.973 1
1 1047 . 4 1 1 A 82 82 LEU CA C 82 55.730 55.274 0.456 1
1 1048 . 4 1 1 A 82 82 LEU CB C 82 41.740 42.492 -0.752 1
1 1052 . 4 1 1 A 82 82 LEU N N 82 123.191 118.351 4.840 1
1 1053 . 4 1 1 A 83 83 ASP H H 83 8.330 7.917 0.413 1
1 1054 . 4 1 1 A 83 83 ASP HA H 83 4.260 4.552 -0.292 1
1 1057 . 4 1 1 A 83 83 ASP C C 83 174.543 177.297 -2.754 1
1 1058 . 4 1 1 A 83 83 ASP CA C 83 57.056 55.874 1.182 1
1 1059 . 4 1 1 A 83 83 ASP CB C 83 41.590 40.644 0.946 1
1 1060 . 4 1 1 A 83 83 ASP N N 83 122.600 118.841 3.759 1
1 1061 . 4 1 1 A 84 84 LYS H H 84 8.152 8.387 -0.235 1
1 1062 . 4 1 1 A 84 84 LYS HA H 84 4.060 4.280 -0.220 1
1 1071 . 4 1 1 A 84 84 LYS C C 84 172.461 177.054 -4.593 1
1 1072 . 4 1 1 A 84 84 LYS CA C 84 57.301 58.415 -1.114 1
1 1073 . 4 1 1 A 84 84 LYS CB C 84 31.140 32.473 -1.333 1
1 1077 . 4 1 1 A 84 84 LYS N N 84 113.797 117.553 -3.756 1
1 1078 . 4 1 1 A 85 85 VAL H H 85 7.290 7.519 -0.229 1
1 1079 . 4 1 1 A 85 85 VAL HA H 85 4.230 4.265 -0.035 1
1 1087 . 4 1 1 A 85 85 VAL C C 85 173.934 175.800 -1.866 1
1 1088 . 4 1 1 A 85 85 VAL CA C 85 63.300 62.576 0.724 1
1 1089 . 4 1 1 A 85 85 VAL CB C 85 32.320 32.622 -0.302 1
1 1092 . 4 1 1 A 85 85 VAL N N 85 118.733 118.778 -0.045 1
1 1093 . 4 1 1 A 86 86 VAL H H 86 9.093 9.131 -0.038 1
1 1094 . 4 1 1 A 86 86 VAL HA H 86 4.165 4.444 -0.279 1
1 1102 . 4 1 1 A 86 86 VAL C C 86 173.235 175.738 -2.503 1
1 1103 . 4 1 1 A 86 86 VAL CA C 86 62.144 62.206 -0.062 1
1 1104 . 4 1 1 A 86 86 VAL CB C 86 33.397 33.338 0.059 1
1 1107 . 4 1 1 A 86 86 VAL N N 86 125.341 123.823 1.518 1
1 1108 . 4 1 1 A 87 87 GLN H H 87 7.727 7.593 0.134 1
1 1109 . 4 1 1 A 87 87 GLN HA H 87 4.437 4.972 -0.535 1
1 1114 . 4 1 1 A 87 87 GLN C C 87 170.954 174.017 -3.063 1
1 1115 . 4 1 1 A 87 87 GLN CA C 87 56.370 55.020 1.350 1
1 1116 . 4 1 1 A 87 87 GLN CB C 87 32.420 31.704 0.716 1
1 1118 . 4 1 1 A 87 87 GLN N N 87 119.469 120.708 -1.239 1
1 1119 . 4 1 1 A 88 88 THR H H 88 8.087 8.838 -0.751 1
1 1120 . 4 1 1 A 88 88 THR HA H 88 4.857 5.265 -0.408 1
1 1125 . 4 1 1 A 88 88 THR CA C 88 61.850 60.659 1.191 1
1 1126 . 4 1 1 A 88 88 THR CB C 88 69.900 69.968 -0.068 1
1 1128 . 4 1 1 A 88 88 THR N N 88 119.679 118.670 1.009 1
1 1129 . 4 1 1 A 89 89 LEU HA H 89 4.851 5.297 -0.446 1
1 1139 . 4 1 1 A 89 89 LEU C C 89 174.211 176.435 -2.224 1
1 1140 . 4 1 1 A 89 89 LEU CA C 89 54.590 53.341 1.249 1
1 1141 . 4 1 1 A 89 89 LEU CB C 89 44.176 43.868 0.308 1
1 1145 . 4 1 1 A 90 90 GLY H H 90 8.697 8.974 -0.277 1
1 1146 . 4 1 1 A 90 90 GLY HA2 H 90 4.181 4.480 -0.299 1
1 1147 . 4 1 1 A 90 90 GLY HA3 H 90 4.267 4.776 -0.509 1
1 1148 . 4 1 1 A 90 90 GLY C C 90 170.516 173.852 -3.336 1
1 1149 . 4 1 1 A 90 90 GLY CA C 90 45.810 46.056 -0.246 1
1 1150 . 4 1 1 A 90 90 GLY N N 90 109.859 114.327 -4.468 1
1 1 . 5 1 1 A 2 2 GLY HA2 H 2 3.721 3.809 -0.088 1
1 2 . 5 1 1 A 2 2 GLY HA3 H 2 3.721 3.885 -0.164 1
1 3 . 5 1 1 A 2 2 GLY CA C 2 43.440 47.267 -3.827 1
1 4 . 5 1 1 A 3 3 HIS HA H 3 4.602 4.676 -0.074 1
1 9 . 5 1 1 A 3 3 HIS C C 3 172.383 175.313 -2.930 1
1 10 . 5 1 1 A 3 3 HIS CA C 3 56.270 56.288 -0.018 1
1 11 . 5 1 1 A 3 3 HIS CB C 3 30.850 30.630 0.220 1
1 14 . 5 1 1 A 4 4 MET H H 4 8.397 8.853 -0.456 1
1 15 . 5 1 1 A 4 4 MET HA H 4 4.720 4.397 0.323 1
1 23 . 5 1 1 A 4 4 MET CA C 4 53.410 54.708 -1.298 1
1 24 . 5 1 1 A 4 4 MET CB C 4 32.550 32.892 -0.342 1
1 27 . 5 1 1 A 4 4 MET N N 4 123.715 121.492 2.223 1
1 28 . 5 1 1 A 5 5 PRO HA H 5 4.340 4.736 -0.396 1
1 35 . 5 1 1 A 5 5 PRO C C 5 174.369 176.875 -2.506 1
1 36 . 5 1 1 A 5 5 PRO CA C 5 63.686 62.375 1.311 1
1 37 . 5 1 1 A 5 5 PRO CB C 5 32.430 30.112 2.318 1
1 40 . 5 1 1 A 6 6 SER H H 6 8.337 8.115 0.222 1
1 41 . 5 1 1 A 6 6 SER HA H 6 4.299 4.320 -0.021 1
1 44 . 5 1 1 A 6 6 SER C C 6 171.770 174.266 -2.496 1
1 45 . 5 1 1 A 6 6 SER CA C 6 58.800 59.456 -0.656 1
1 46 . 5 1 1 A 6 6 SER CB C 6 63.896 62.620 1.276 1
1 47 . 5 1 1 A 6 6 SER N N 6 115.479 118.356 -2.877 1
1 48 . 5 1 1 A 7 7 ASP H H 7 8.269 9.023 -0.754 1
1 49 . 5 1 1 A 7 7 ASP HA H 7 4.545 4.228 0.317 1
1 52 . 5 1 1 A 7 7 ASP C C 7 173.646 174.101 -0.455 1
1 53 . 5 1 1 A 7 7 ASP CA C 7 54.571 55.758 -1.187 1
1 54 . 5 1 1 A 7 7 ASP CB C 7 41.353 39.609 1.744 1
1 55 . 5 1 1 A 7 7 ASP N N 7 122.367 119.699 2.668 1
1 56 . 5 1 1 A 8 8 SER H H 8 8.126 7.691 0.435 1
1 57 . 5 1 1 A 8 8 SER HA H 8 4.337 4.816 -0.479 1
1 60 . 5 1 1 A 8 8 SER C C 8 171.792 174.222 -2.430 1
1 61 . 5 1 1 A 8 8 SER CA C 8 58.950 56.200 2.750 1
1 62 . 5 1 1 A 8 8 SER CB C 8 64.140 65.405 -1.265 1
1 63 . 5 1 1 A 8 8 SER N N 8 116.038 113.827 2.211 1
1 64 . 5 1 1 A 9 9 LYS H H 9 8.400 9.260 -0.860 1
1 65 . 5 1 1 A 9 9 LYS HA H 9 4.225 3.926 0.299 1
1 74 . 5 1 1 A 9 9 LYS C C 9 173.626 175.368 -1.742 1
1 75 . 5 1 1 A 9 9 LYS CA C 9 56.391 57.292 -0.901 1
1 76 . 5 1 1 A 9 9 LYS CB C 9 32.970 31.324 1.646 1
1 80 . 5 1 1 A 9 9 LYS N N 9 122.400 126.960 -4.560 1
1 81 . 5 1 1 A 10 10 LYS H H 10 8.180 8.415 -0.235 1
1 82 . 5 1 1 A 10 10 LYS HA H 10 4.493 4.355 0.138 1
1 91 . 5 1 1 A 10 10 LYS CA C 10 54.500 57.111 -2.611 1
1 92 . 5 1 1 A 10 10 LYS CB C 10 32.750 31.530 1.220 1
1 96 . 5 1 1 A 10 10 LYS N N 10 123.900 112.480 11.420 1
1 97 . 5 1 1 A 11 11 PRO HA H 11 4.404 4.523 -0.119 1
1 104 . 5 1 1 A 11 11 PRO C C 11 174.099 176.311 -2.212 1
1 105 . 5 1 1 A 11 11 PRO CA C 11 63.451 62.582 0.869 1
1 106 . 5 1 1 A 11 11 PRO CB C 11 32.405 32.445 -0.040 1
1 109 . 5 1 1 A 12 12 THR H H 12 8.277 8.464 -0.187 1
1 110 . 5 1 1 A 12 12 THR HA H 12 4.156 4.239 -0.083 1
1 115 . 5 1 1 A 12 12 THR C C 12 171.255 174.267 -3.012 1
1 116 . 5 1 1 A 12 12 THR CA C 12 62.829 63.461 -0.632 1
1 117 . 5 1 1 A 12 12 THR CB C 12 70.113 68.372 1.741 1
1 119 . 5 1 1 A 12 12 THR N N 12 116.775 117.145 -0.370 1
1 120 . 5 1 1 A 13 13 ILE H H 13 8.141 9.323 -1.182 1
1 121 . 5 1 1 A 13 13 ILE HA H 13 3.880 4.786 -0.906 1
1 131 . 5 1 1 A 13 13 ILE C C 13 171.936 175.062 -3.126 1
1 132 . 5 1 1 A 13 13 ILE CA C 13 61.000 60.067 0.933 1
1 133 . 5 1 1 A 13 13 ILE CB C 13 38.957 38.455 0.502 1
1 137 . 5 1 1 A 13 13 ILE N N 13 126.554 128.409 -1.855 1
1 138 . 5 1 1 A 14 14 ILE H H 14 7.890 9.122 -1.232 1
1 139 . 5 1 1 A 14 14 ILE HA H 14 4.045 4.840 -0.795 1
1 149 . 5 1 1 A 14 14 ILE C C 14 171.624 174.986 -3.362 1
1 150 . 5 1 1 A 14 14 ILE CA C 14 60.132 60.240 -0.108 1
1 151 . 5 1 1 A 14 14 ILE CB C 14 38.760 38.465 0.295 1
1 155 . 5 1 1 A 14 14 ILE N N 14 127.503 128.734 -1.231 1
1 156 . 5 1 1 A 15 15 TYR H H 15 8.185 8.943 -0.758 1
1 165 . 5 1 1 A 15 15 TYR N N 15 123.664 127.361 -3.697 1
1 166 . 5 1 1 A 16 16 PRO HA H 16 5.087 5.244 -0.157 1
1 173 . 5 1 1 A 16 16 PRO C C 16 172.702 175.113 -2.411 1
1 174 . 5 1 1 A 16 16 PRO CA C 16 62.891 62.571 0.320 1
1 175 . 5 1 1 A 16 16 PRO CB C 16 36.288 33.375 2.913 1
1 178 . 5 1 1 A 17 17 CYS H H 17 8.579 8.626 -0.047 1
1 179 . 5 1 1 A 17 17 CYS HA H 17 4.924 4.930 -0.006 1
1 182 . 5 1 1 A 17 17 CYS C C 17 169.725 173.668 -3.943 1
1 183 . 5 1 1 A 17 17 CYS CA C 17 55.925 58.189 -2.264 1
1 184 . 5 1 1 A 17 17 CYS CB C 17 31.200 31.786 -0.586 1
1 185 . 5 1 1 A 17 17 CYS N N 17 114.797 119.449 -4.652 1
1 186 . 5 1 1 A 18 18 LEU H H 18 8.449 8.588 -0.139 1
1 187 . 5 1 1 A 18 18 LEU HA H 18 4.336 4.739 -0.403 1
1 197 . 5 1 1 A 18 18 LEU C C 18 172.529 175.767 -3.238 1
1 198 . 5 1 1 A 18 18 LEU CA C 18 55.600 54.868 0.732 1
1 199 . 5 1 1 A 18 18 LEU CB C 18 42.550 41.121 1.429 1
1 203 . 5 1 1 A 18 18 LEU N N 18 122.242 123.830 -1.588 1
1 204 . 5 1 1 A 19 19 TRP H H 19 9.079 9.190 -0.111 1
1 205 . 5 1 1 A 19 19 TRP HA H 19 4.300 5.011 -0.711 1
1 214 . 5 1 1 A 19 19 TRP C C 19 170.195 175.173 -4.978 1
1 215 . 5 1 1 A 19 19 TRP CA C 19 56.750 55.733 1.017 1
1 216 . 5 1 1 A 19 19 TRP CB C 19 33.935 31.682 2.253 1
1 222 . 5 1 1 A 19 19 TRP N N 19 130.082 127.661 2.421 1
1 224 . 5 1 1 A 20 20 ASP H H 20 6.314 8.496 -2.182 1
1 225 . 5 1 1 A 20 20 ASP HA H 20 5.559 5.753 -0.194 1
1 228 . 5 1 1 A 20 20 ASP C C 20 172.285 174.866 -2.581 1
1 229 . 5 1 1 A 20 20 ASP CA C 20 52.900 52.611 0.289 1
1 230 . 5 1 1 A 20 20 ASP CB C 20 43.450 42.496 0.954 1
1 231 . 5 1 1 A 20 20 ASP N N 20 122.801 125.548 -2.747 1
1 232 . 5 1 1 A 21 21 TYR H H 21 9.519 9.514 0.005 1
1 233 . 5 1 1 A 21 21 TYR HA H 21 4.975 5.158 -0.183 1
1 240 . 5 1 1 A 21 21 TYR C C 21 172.202 174.772 -2.570 1
1 241 . 5 1 1 A 21 21 TYR CA C 21 56.910 56.569 0.341 1
1 242 . 5 1 1 A 21 21 TYR CB C 21 40.850 40.492 0.358 1
1 247 . 5 1 1 A 21 21 TYR N N 21 120.749 121.524 -0.775 1
1 248 . 5 1 1 A 22 22 ARG H H 22 8.758 9.194 -0.436 1
1 249 . 5 1 1 A 22 22 ARG HA H 22 5.189 4.722 0.467 1
1 256 . 5 1 1 A 22 22 ARG C C 22 172.210 175.149 -2.939 1
1 257 . 5 1 1 A 22 22 ARG CA C 22 55.180 56.361 -1.181 1
1 258 . 5 1 1 A 22 22 ARG CB C 22 31.360 30.647 0.713 1
1 261 . 5 1 1 A 22 22 ARG N N 22 124.405 125.693 -1.288 1
1 262 . 5 1 1 A 23 23 VAL H H 23 9.170 9.285 -0.115 1
1 263 . 5 1 1 A 23 23 VAL HA H 23 4.591 4.689 -0.098 1
1 271 . 5 1 1 A 23 23 VAL C C 23 171.354 174.958 -3.604 1
1 272 . 5 1 1 A 23 23 VAL CA C 23 61.836 61.737 0.099 1
1 273 . 5 1 1 A 23 23 VAL CB C 23 35.725 32.551 3.174 1
1 276 . 5 1 1 A 23 23 VAL N N 23 125.900 127.512 -1.612 1
1 277 . 5 1 1 A 24 24 ILE H H 24 8.919 9.480 -0.561 1
1 278 . 5 1 1 A 24 24 ILE HA H 24 5.119 5.195 -0.076 1
1 288 . 5 1 1 A 24 24 ILE C C 24 173.492 175.323 -1.831 1
1 289 . 5 1 1 A 24 24 ILE CA C 24 60.567 60.467 0.100 1
1 290 . 5 1 1 A 24 24 ILE CB C 24 38.346 38.604 -0.258 1
1 294 . 5 1 1 A 24 24 ILE N N 24 127.789 129.074 -1.285 1
1 295 . 5 1 1 A 25 25 MET H H 25 9.857 9.008 0.849 1
1 296 . 5 1 1 A 25 25 MET HA H 25 6.017 5.472 0.545 1
1 304 . 5 1 1 A 25 25 MET C C 25 174.379 176.722 -2.343 1
1 305 . 5 1 1 A 25 25 MET CA C 25 54.898 54.215 0.683 1
1 306 . 5 1 1 A 25 25 MET CB C 25 40.260 37.251 3.009 1
1 309 . 5 1 1 A 25 25 MET N N 25 124.403 126.097 -1.694 1
1 310 . 5 1 1 A 26 26 THR H H 26 8.843 8.626 0.217 1
1 311 . 5 1 1 A 26 26 THR HA H 26 4.875 4.763 0.112 1
1 316 . 5 1 1 A 26 26 THR C C 26 170.849 174.150 -3.301 1
1 317 . 5 1 1 A 26 26 THR CA C 26 61.826 61.788 0.038 1
1 318 . 5 1 1 A 26 26 THR CB C 26 68.846 68.701 0.145 1
1 320 . 5 1 1 A 26 26 THR N N 26 108.669 112.726 -4.057 1
1 321 . 5 1 1 A 27 27 THR H H 27 7.342 7.829 -0.487 1
1 322 . 5 1 1 A 27 27 THR HA H 27 4.618 4.750 -0.132 1
1 327 . 5 1 1 A 27 27 THR C C 27 166.898 173.280 -6.382 1
1 328 . 5 1 1 A 27 27 THR CA C 27 58.657 60.197 -1.540 1
1 329 . 5 1 1 A 27 27 THR CB C 27 69.696 71.001 -1.305 1
1 331 . 5 1 1 A 27 27 THR N N 27 114.866 114.597 0.269 1
1 332 . 5 1 1 A 28 28 LYS H H 28 7.638 8.455 -0.817 1
1 333 . 5 1 1 A 28 28 LYS HA H 28 3.991 4.347 -0.356 1
1 342 . 5 1 1 A 28 28 LYS C C 28 173.190 176.742 -3.552 1
1 343 . 5 1 1 A 28 28 LYS CA C 28 55.731 56.803 -1.072 1
1 344 . 5 1 1 A 28 28 LYS CB C 28 32.790 32.147 0.643 1
1 348 . 5 1 1 A 28 28 LYS N N 28 121.283 125.052 -3.769 1
1 349 . 5 1 1 A 29 29 ASP H H 29 8.184 7.481 0.703 1
1 350 . 5 1 1 A 29 29 ASP HA H 29 4.401 4.574 -0.173 1
1 353 . 5 1 1 A 29 29 ASP C C 29 173.830 174.701 -0.871 1
1 354 . 5 1 1 A 29 29 ASP CA C 29 53.979 53.129 0.850 1
1 355 . 5 1 1 A 29 29 ASP CB C 29 40.730 39.740 0.990 1
1 356 . 5 1 1 A 29 29 ASP N N 29 120.231 121.498 -1.267 1
1 357 . 5 1 1 A 30 30 THR H H 30 7.830 8.495 -0.665 1
1 358 . 5 1 1 A 30 30 THR HA H 30 3.742 4.632 -0.890 1
1 363 . 5 1 1 A 30 30 THR C C 30 172.987 173.768 -0.781 1
1 364 . 5 1 1 A 30 30 THR CA C 30 61.299 60.036 1.263 1
1 365 . 5 1 1 A 30 30 THR CB C 30 69.294 68.440 0.854 1
1 367 . 5 1 1 A 30 30 THR N N 30 115.459 120.753 -5.294 1
1 368 . 5 1 1 A 31 31 SER H H 31 8.561 8.377 0.184 1
1 369 . 5 1 1 A 31 31 SER HA H 31 3.875 4.521 -0.646 1
1 372 . 5 1 1 A 31 31 SER CA C 31 63.520 58.604 4.916 1
1 373 . 5 1 1 A 31 31 SER CB C 31 62.332 64.058 -1.726 1
1 374 . 5 1 1 A 31 31 SER N N 31 119.763 121.808 -2.045 1
1 375 . 5 1 1 A 32 32 THR HA H 32 3.961 3.915 0.046 1
1 380 . 5 1 1 A 32 32 THR C C 32 173.850 176.325 -2.475 1
1 381 . 5 1 1 A 32 32 THR CA C 32 65.447 66.711 -1.264 1
1 382 . 5 1 1 A 32 32 THR CB C 32 68.715 68.574 0.141 1
1 384 . 5 1 1 A 33 33 LEU H H 33 7.209 8.025 -0.816 1
1 385 . 5 1 1 A 33 33 LEU HA H 33 3.950 3.857 0.093 1
1 395 . 5 1 1 A 33 33 LEU C C 33 174.505 178.632 -4.127 1
1 396 . 5 1 1 A 33 33 LEU CA C 33 57.653 58.184 -0.531 1
1 397 . 5 1 1 A 33 33 LEU CB C 33 42.210 41.347 0.863 1
1 401 . 5 1 1 A 33 33 LEU N N 33 125.158 121.578 3.580 1
1 402 . 5 1 1 A 34 34 LYS H H 34 8.671 7.962 0.709 1
1 403 . 5 1 1 A 34 34 LYS HA H 34 3.552 3.646 -0.094 1
1 412 . 5 1 1 A 34 34 LYS C C 34 174.794 179.567 -4.773 1
1 413 . 5 1 1 A 34 34 LYS CA C 34 61.226 59.635 1.591 1
1 414 . 5 1 1 A 34 34 LYS CB C 34 32.880 32.431 0.449 1
1 418 . 5 1 1 A 34 34 LYS N N 34 119.112 118.443 0.669 1
1 419 . 5 1 1 A 35 35 GLU H H 35 7.813 8.177 -0.364 1
1 420 . 5 1 1 A 35 35 GLU HA H 35 3.863 4.019 -0.156 1
1 425 . 5 1 1 A 35 35 GLU C C 35 176.222 179.098 -2.876 1
1 426 . 5 1 1 A 35 35 GLU CA C 35 59.721 59.106 0.615 1
1 427 . 5 1 1 A 35 35 GLU CB C 35 29.898 29.226 0.672 1
1 429 . 5 1 1 A 35 35 GLU N N 35 116.554 120.364 -3.810 1
1 430 . 5 1 1 A 36 36 LEU H H 36 7.153 7.993 -0.840 1
1 431 . 5 1 1 A 36 36 LEU HA H 36 4.175 3.925 0.250 1
1 441 . 5 1 1 A 36 36 LEU C C 36 177.281 179.053 -1.772 1
1 442 . 5 1 1 A 36 36 LEU CA C 36 58.018 57.930 0.088 1
1 443 . 5 1 1 A 36 36 LEU CB C 36 41.720 41.281 0.439 1
1 447 . 5 1 1 A 36 36 LEU N N 36 119.071 118.949 0.122 1
1 448 . 5 1 1 A 37 37 LEU H H 37 8.245 8.032 0.213 1
1 449 . 5 1 1 A 37 37 LEU HA H 37 3.749 4.019 -0.270 1
1 459 . 5 1 1 A 37 37 LEU C C 37 177.903 179.563 -1.660 1
1 460 . 5 1 1 A 37 37 LEU CA C 37 58.278 58.296 -0.018 1
1 461 . 5 1 1 A 37 37 LEU CB C 37 39.600 39.948 -0.348 1
1 465 . 5 1 1 A 37 37 LEU N N 37 121.326 119.046 2.280 1
1 466 . 5 1 1 A 38 38 GLU H H 38 8.641 8.193 0.448 1
1 467 . 5 1 1 A 38 38 GLU HA H 38 4.320 4.275 0.045 1
1 472 . 5 1 1 A 38 38 GLU C C 38 177.074 179.281 -2.207 1
1 473 . 5 1 1 A 38 38 GLU CA C 38 59.619 59.431 0.188 1
1 474 . 5 1 1 A 38 38 GLU CB C 38 29.850 29.151 0.699 1
1 476 . 5 1 1 A 38 38 GLU N N 38 119.504 118.846 0.658 1
1 477 . 5 1 1 A 39 39 THR H H 39 7.653 7.559 0.094 1
1 478 . 5 1 1 A 39 39 THR HA H 39 4.097 4.078 0.019 1
1 483 . 5 1 1 A 39 39 THR C C 39 173.229 175.138 -1.909 1
1 484 . 5 1 1 A 39 39 THR CA C 39 65.080 64.610 0.470 1
1 485 . 5 1 1 A 39 39 THR CB C 39 69.952 68.511 1.441 1
1 487 . 5 1 1 A 39 39 THR N N 39 110.838 113.111 -2.273 1
1 488 . 5 1 1 A 40 40 TYR H H 40 7.478 7.527 -0.049 1
1 489 . 5 1 1 A 40 40 TYR HA H 40 4.073 4.641 -0.568 1
1 496 . 5 1 1 A 40 40 TYR C C 40 172.486 175.160 -2.674 1
1 497 . 5 1 1 A 40 40 TYR CA C 40 61.549 57.209 4.340 1
1 498 . 5 1 1 A 40 40 TYR CB C 40 37.140 38.641 -1.501 1
1 503 . 5 1 1 A 40 40 TYR N N 40 118.654 120.432 -1.778 1
1 504 . 5 1 1 A 41 41 GLN H H 41 7.901 8.240 -0.339 1
1 505 . 5 1 1 A 41 41 GLN HA H 41 3.963 4.030 -0.067 1
1 512 . 5 1 1 A 41 41 GLN C C 41 171.223 174.655 -3.432 1
1 513 . 5 1 1 A 41 41 GLN CA C 41 57.158 57.537 -0.379 1
1 514 . 5 1 1 A 41 41 GLN CB C 41 27.330 26.656 0.674 1
1 516 . 5 1 1 A 41 41 GLN N N 41 116.315 116.057 0.258 1
1 518 . 5 1 1 A 42 42 ARG H H 42 8.493 7.965 0.528 1
1 519 . 5 1 1 A 42 42 ARG HA H 42 5.052 4.682 0.370 1
1 527 . 5 1 1 A 42 42 ARG CA C 42 54.040 54.429 -0.389 1
1 528 . 5 1 1 A 42 42 ARG CB C 42 30.650 30.928 -0.278 1
1 531 . 5 1 1 A 42 42 ARG N N 42 115.494 119.690 -4.196 1
1 533 . 5 1 1 A 43 43 PRO HA H 43 4.390 4.876 -0.486 1
1 540 . 5 1 1 A 43 43 PRO C C 43 172.836 176.434 -3.598 1
1 541 . 5 1 1 A 43 43 PRO CA C 43 63.574 62.785 0.789 1
1 542 . 5 1 1 A 43 43 PRO CB C 43 32.500 33.508 -1.008 1
1 545 . 5 1 1 A 44 44 PHE H H 44 7.742 8.627 -0.885 1
1 546 . 5 1 1 A 44 44 PHE HA H 44 5.281 5.146 0.135 1
1 554 . 5 1 1 A 44 44 PHE C C 44 170.840 172.239 -1.399 1
1 555 . 5 1 1 A 44 44 PHE CA C 44 56.174 56.192 -0.018 1
1 556 . 5 1 1 A 44 44 PHE CB C 44 42.280 41.668 0.612 1
1 562 . 5 1 1 A 44 44 PHE N N 44 115.046 117.263 -2.217 1
1 563 . 5 1 1 A 45 45 LYS H H 45 8.944 9.128 -0.184 1
1 564 . 5 1 1 A 45 45 LYS HA H 45 4.641 4.957 -0.316 1
1 573 . 5 1 1 A 45 45 LYS C C 45 171.934 174.817 -2.883 1
1 574 . 5 1 1 A 45 45 LYS CA C 45 55.210 54.898 0.312 1
1 575 . 5 1 1 A 45 45 LYS CB C 45 35.600 34.733 0.867 1
1 579 . 5 1 1 A 45 45 LYS N N 45 121.090 121.166 -0.076 1
1 580 . 5 1 1 A 46 46 LEU H H 46 8.897 8.788 0.109 1
1 581 . 5 1 1 A 46 46 LEU HA H 46 5.332 5.137 0.195 1
1 590 . 5 1 1 A 46 46 LEU C C 46 172.666 174.904 -2.238 1
1 591 . 5 1 1 A 46 46 LEU CA C 46 54.510 54.506 0.004 1
1 592 . 5 1 1 A 46 46 LEU CB C 46 44.620 43.431 1.189 1
1 595 . 5 1 1 A 46 46 LEU N N 46 128.615 128.794 -0.179 1
1 596 . 5 1 1 A 47 47 GLU H H 47 9.220 9.314 -0.094 1
1 597 . 5 1 1 A 47 47 GLU HA H 47 4.911 5.114 -0.203 1
1 602 . 5 1 1 A 47 47 GLU C C 47 172.392 174.617 -2.225 1
1 603 . 5 1 1 A 47 47 GLU CA C 47 54.980 54.981 -0.001 1
1 604 . 5 1 1 A 47 47 GLU CB C 47 34.490 32.270 2.220 1
1 606 . 5 1 1 A 47 47 GLU N N 47 125.300 126.481 -1.181 1
1 607 . 5 1 1 A 48 48 PHE H H 48 9.157 9.289 -0.132 1
1 608 . 5 1 1 A 48 48 PHE HA H 48 4.302 4.832 -0.530 1
1 616 . 5 1 1 A 48 48 PHE C C 48 171.971 174.048 -2.077 1
1 617 . 5 1 1 A 48 48 PHE CA C 48 58.240 56.898 1.342 1
1 618 . 5 1 1 A 48 48 PHE CB C 48 39.410 39.756 -0.346 1
1 624 . 5 1 1 A 48 48 PHE N N 48 126.911 126.184 0.727 1
1 625 . 5 1 1 A 49 49 LYS H H 49 8.256 8.616 -0.360 1
1 626 . 5 1 1 A 49 49 LYS HA H 49 4.176 4.169 0.007 1
1 635 . 5 1 1 A 49 49 LYS C C 49 172.030 176.140 -4.110 1
1 636 . 5 1 1 A 49 49 LYS CA C 49 55.244 57.978 -2.734 1
1 637 . 5 1 1 A 49 49 LYS CB C 49 32.640 32.772 -0.132 1
1 641 . 5 1 1 A 49 49 LYS N N 49 127.526 127.256 0.270 1
1 642 . 5 1 1 A 50 50 ASN H H 50 7.062 7.443 -0.381 1
1 643 . 5 1 1 A 50 50 ASN HA H 50 4.353 4.833 -0.480 1
1 648 . 5 1 1 A 50 50 ASN C C 50 171.278 172.564 -1.286 1
1 649 . 5 1 1 A 50 50 ASN CA C 50 53.807 52.557 1.250 1
1 650 . 5 1 1 A 50 50 ASN CB C 50 40.460 42.519 -2.059 1
1 651 . 5 1 1 A 50 50 ASN N N 50 115.764 113.258 2.506 1
1 653 . 5 1 1 A 51 51 THR H H 51 8.217 8.765 -0.548 1
1 654 . 5 1 1 A 51 51 THR HA H 51 4.685 4.838 -0.153 1
1 659 . 5 1 1 A 51 51 THR C C 51 171.816 174.440 -2.624 1
1 660 . 5 1 1 A 51 51 THR CA C 51 61.243 60.632 0.611 1
1 661 . 5 1 1 A 51 51 THR CB C 51 70.632 70.930 -0.298 1
1 663 . 5 1 1 A 51 51 THR N N 51 114.341 119.706 -5.365 1
1 664 . 5 1 1 A 52 52 SER H H 52 8.314 8.795 -0.481 1
1 665 . 5 1 1 A 52 52 SER HA H 52 4.395 4.493 -0.098 1
1 668 . 5 1 1 A 52 52 SER CA C 52 58.470 59.145 -0.675 1
1 669 . 5 1 1 A 52 52 SER CB C 52 64.580 63.982 0.598 1
1 670 . 5 1 1 A 52 52 SER N N 52 118.503 121.412 -2.909 1
1 671 . 5 1 1 A 54 54 ASN HA H 54 4.484 4.863 -0.379 1
1 676 . 5 1 1 A 54 54 ASN C C 54 171.753 174.605 -2.852 1
1 677 . 5 1 1 A 54 54 ASN CA C 54 53.296 51.966 1.330 1
1 678 . 5 1 1 A 54 54 ASN CB C 54 38.080 38.306 -0.226 1
1 680 . 5 1 1 A 55 55 ALA H H 55 7.927 8.217 -0.290 1
1 681 . 5 1 1 A 55 55 ALA HA H 55 3.759 4.093 -0.334 1
1 685 . 5 1 1 A 55 55 ALA C C 55 173.386 177.045 -3.659 1
1 686 . 5 1 1 A 55 55 ALA CA C 55 53.266 53.352 -0.086 1
1 687 . 5 1 1 A 55 55 ALA CB C 55 18.180 18.089 0.091 1
1 688 . 5 1 1 A 55 55 ALA N N 55 120.429 120.458 -0.029 1
1 689 . 5 1 1 A 56 56 LYS H H 56 7.426 7.583 -0.157 1
1 690 . 5 1 1 A 56 56 LYS HA H 56 3.919 3.771 0.148 1
1 702 . 5 1 1 A 56 56 LYS C C 56 172.612 175.648 -3.036 1
1 703 . 5 1 1 A 56 56 LYS CA C 56 57.113 58.333 -1.220 1
1 704 . 5 1 1 A 56 56 LYS CB C 56 33.566 32.915 0.651 1
1 708 . 5 1 1 A 56 56 LYS N N 56 116.392 117.426 -1.034 1
1 710 . 5 1 1 A 57 57 PHE H H 57 7.253 7.611 -0.358 1
1 711 . 5 1 1 A 57 57 PHE HA H 57 5.062 5.107 -0.045 1
1 719 . 5 1 1 A 57 57 PHE C C 57 171.527 174.138 -2.611 1
1 720 . 5 1 1 A 57 57 PHE CA C 57 54.920 56.432 -1.512 1
1 721 . 5 1 1 A 57 57 PHE CB C 57 41.910 41.591 0.319 1
1 727 . 5 1 1 A 57 57 PHE N N 57 113.835 114.903 -1.068 1
1 728 . 5 1 1 A 58 58 TYR H H 58 9.172 9.374 -0.202 1
1 729 . 5 1 1 A 58 58 TYR HA H 58 4.746 5.257 -0.511 1
1 736 . 5 1 1 A 58 58 TYR C C 58 171.294 175.149 -3.855 1
1 737 . 5 1 1 A 58 58 TYR CA C 58 57.770 56.553 1.217 1
1 738 . 5 1 1 A 58 58 TYR CB C 58 41.784 40.727 1.057 1
1 743 . 5 1 1 A 58 58 TYR N N 58 121.139 121.072 0.067 1
1 744 . 5 1 1 A 59 59 SER H H 59 8.786 8.978 -0.192 1
1 745 . 5 1 1 A 59 59 SER HA H 59 5.399 4.912 0.487 1
1 748 . 5 1 1 A 59 59 SER C C 59 170.105 173.947 -3.842 1
1 749 . 5 1 1 A 59 59 SER CA C 59 57.650 58.493 -0.843 1
1 750 . 5 1 1 A 59 59 SER CB C 59 65.220 63.840 1.380 1
1 751 . 5 1 1 A 59 59 SER N N 59 118.511 121.128 -2.617 1
1 752 . 5 1 1 A 60 60 PHE H H 60 9.389 9.734 -0.345 1
1 753 . 5 1 1 A 60 60 PHE HA H 60 5.210 5.562 -0.352 1
1 761 . 5 1 1 A 60 60 PHE C C 60 172.188 174.687 -2.499 1
1 762 . 5 1 1 A 60 60 PHE CA C 60 56.824 56.736 0.088 1
1 763 . 5 1 1 A 60 60 PHE CB C 60 43.645 42.616 1.029 1
1 769 . 5 1 1 A 60 60 PHE N N 60 121.864 126.236 -4.372 1
1 770 . 5 1 1 A 61 61 ASN H H 61 9.448 9.420 0.028 1
1 771 . 5 1 1 A 61 61 ASN HA H 61 5.564 5.574 -0.010 1
1 776 . 5 1 1 A 61 61 ASN C C 61 171.756 173.624 -1.868 1
1 777 . 5 1 1 A 61 61 ASN CA C 61 53.012 52.733 0.279 1
1 778 . 5 1 1 A 61 61 ASN CB C 61 42.580 42.131 0.449 1
1 779 . 5 1 1 A 61 61 ASN N N 61 121.107 118.937 2.170 1
1 781 . 5 1 1 A 62 62 VAL H H 62 9.361 9.587 -0.226 1
1 782 . 5 1 1 A 62 62 VAL HA H 62 5.159 5.096 0.063 1
1 790 . 5 1 1 A 62 62 VAL C C 62 171.964 174.894 -2.930 1
1 791 . 5 1 1 A 62 62 VAL CA C 62 60.991 61.397 -0.406 1
1 792 . 5 1 1 A 62 62 VAL CB C 62 35.350 33.316 2.034 1
1 795 . 5 1 1 A 62 62 VAL N N 62 126.781 126.907 -0.126 1
1 796 . 5 1 1 A 63 63 SER H H 63 8.750 9.031 -0.281 1
1 797 . 5 1 1 A 63 63 SER HA H 63 5.955 5.400 0.555 1
1 800 . 5 1 1 A 63 63 SER C C 63 171.905 173.619 -1.714 1
1 801 . 5 1 1 A 63 63 SER CA C 63 56.587 57.850 -1.263 1
1 802 . 5 1 1 A 63 63 SER CB C 63 65.231 64.092 1.139 1
1 803 . 5 1 1 A 63 63 SER N N 63 120.886 125.963 -5.077 1
1 804 . 5 1 1 A 64 64 MET H H 64 8.918 8.902 0.016 1
1 805 . 5 1 1 A 64 64 MET HA H 64 4.622 5.295 -0.673 1
1 813 . 5 1 1 A 64 64 MET C C 64 170.352 174.923 -4.571 1
1 814 . 5 1 1 A 64 64 MET CA C 64 55.950 53.958 1.992 1
1 815 . 5 1 1 A 64 64 MET CB C 64 38.000 35.928 2.072 1
1 818 . 5 1 1 A 64 64 MET N N 64 123.839 122.412 1.427 1
1 819 . 5 1 1 A 65 65 GLU H H 65 9.213 8.500 0.713 1
1 820 . 5 1 1 A 65 65 GLU HA H 65 4.740 4.962 -0.222 1
1 825 . 5 1 1 A 65 65 GLU C C 65 172.659 176.371 -3.712 1
1 826 . 5 1 1 A 65 65 GLU CA C 65 57.547 56.856 0.691 1
1 827 . 5 1 1 A 65 65 GLU CB C 65 31.100 30.249 0.851 1
1 829 . 5 1 1 A 65 65 GLU N N 65 125.938 119.968 5.970 1
1 830 . 5 1 1 A 66 66 VAL H H 66 9.031 8.953 0.078 1
1 831 . 5 1 1 A 66 66 VAL HA H 66 4.632 4.891 -0.259 1
1 839 . 5 1 1 A 66 66 VAL C C 66 174.252 175.910 -1.658 1
1 840 . 5 1 1 A 66 66 VAL CA C 66 59.454 60.096 -0.642 1
1 841 . 5 1 1 A 66 66 VAL CB C 66 35.450 34.845 0.605 1
1 844 . 5 1 1 A 66 66 VAL N N 66 117.398 118.544 -1.146 1
1 845 . 5 1 1 A 67 67 SER H H 67 9.309 9.044 0.265 1
1 846 . 5 1 1 A 67 67 SER HA H 67 4.185 4.574 -0.389 1
1 849 . 5 1 1 A 67 67 SER C C 67 170.646 174.378 -3.732 1
1 850 . 5 1 1 A 67 67 SER CA C 67 61.719 60.179 1.540 1
1 851 . 5 1 1 A 67 67 SER CB C 67 64.540 64.214 0.326 1
1 852 . 5 1 1 A 67 67 SER N N 67 116.754 118.226 -1.472 1
1 853 . 5 1 1 A 68 68 ASN H H 68 7.279 7.736 -0.457 1
1 854 . 5 1 1 A 68 68 ASN HA H 68 3.345 4.544 -1.199 1
1 859 . 5 1 1 A 68 68 ASN C C 68 170.781 175.094 -4.313 1
1 860 . 5 1 1 A 68 68 ASN CA C 68 51.758 51.674 0.084 1
1 861 . 5 1 1 A 68 68 ASN CB C 68 38.809 40.037 -1.228 1
1 862 . 5 1 1 A 68 68 ASN N N 68 110.062 113.832 -3.770 1
1 864 . 5 1 1 A 69 69 GLU H H 69 8.126 8.379 -0.253 1
1 865 . 5 1 1 A 69 69 GLU HA H 69 3.337 3.623 -0.286 1
1 870 . 5 1 1 A 69 69 GLU C C 69 174.537 177.945 -3.408 1
1 871 . 5 1 1 A 69 69 GLU CA C 69 59.749 59.294 0.455 1
1 872 . 5 1 1 A 69 69 GLU CB C 69 30.250 29.327 0.923 1
1 874 . 5 1 1 A 69 69 GLU N N 69 120.604 120.011 0.593 1
1 875 . 5 1 1 A 70 70 SER H H 70 7.981 7.844 0.137 1
1 876 . 5 1 1 A 70 70 SER HA H 70 4.030 4.103 -0.073 1
1 879 . 5 1 1 A 70 70 SER C C 70 174.715 176.591 -1.876 1
1 880 . 5 1 1 A 70 70 SER CA C 70 62.097 61.630 0.467 1
1 881 . 5 1 1 A 70 70 SER CB C 70 62.350 62.721 -0.371 1
1 882 . 5 1 1 A 70 70 SER N N 70 114.770 116.989 -2.219 1
1 883 . 5 1 1 A 71 71 GLU H H 71 8.572 7.260 1.312 1
1 884 . 5 1 1 A 71 71 GLU HA H 71 3.927 4.060 -0.133 1
1 889 . 5 1 1 A 71 71 GLU C C 71 174.769 178.903 -4.134 1
1 890 . 5 1 1 A 71 71 GLU CA C 71 59.849 59.314 0.535 1
1 891 . 5 1 1 A 71 71 GLU CB C 71 30.950 29.365 1.585 1
1 893 . 5 1 1 A 71 71 GLU N N 71 124.163 121.996 2.167 1
1 894 . 5 1 1 A 72 72 ARG H H 72 7.797 7.724 0.073 1
1 895 . 5 1 1 A 72 72 ARG HA H 72 3.776 4.296 -0.520 1
1 900 . 5 1 1 A 72 72 ARG C C 72 177.552 178.329 -0.777 1
1 901 . 5 1 1 A 72 72 ARG CA C 72 58.680 58.969 -0.289 1
1 902 . 5 1 1 A 72 72 ARG CB C 72 30.110 29.787 0.323 1
1 905 . 5 1 1 A 72 72 ARG N N 72 118.396 118.758 -0.362 1
1 906 . 5 1 1 A 73 73 ASN H H 73 8.175 7.480 0.695 1
1 907 . 5 1 1 A 73 73 ASN HA H 73 4.461 4.571 -0.110 1
1 912 . 5 1 1 A 73 73 ASN C C 73 174.089 177.800 -3.711 1
1 913 . 5 1 1 A 73 73 ASN CA C 73 55.500 55.634 -0.134 1
1 914 . 5 1 1 A 73 73 ASN CB C 73 37.844 38.422 -0.578 1
1 915 . 5 1 1 A 73 73 ASN N N 73 118.156 117.581 0.575 1
1 917 . 5 1 1 A 74 74 GLU H H 74 8.473 8.117 0.356 1
1 918 . 5 1 1 A 74 74 GLU HA H 74 3.954 4.185 -0.231 1
1 923 . 5 1 1 A 74 74 GLU C C 74 175.719 179.372 -3.653 1
1 924 . 5 1 1 A 74 74 GLU CA C 74 60.093 59.097 0.996 1
1 925 . 5 1 1 A 74 74 GLU CB C 74 30.460 29.692 0.768 1
1 927 . 5 1 1 A 74 74 GLU N N 74 124.825 119.560 5.265 1
1 928 . 5 1 1 A 75 75 ILE H H 75 8.273 8.427 -0.154 1
1 929 . 5 1 1 A 75 75 ILE HA H 75 3.229 3.660 -0.431 1
1 939 . 5 1 1 A 75 75 ILE C C 75 174.591 178.033 -3.442 1
1 940 . 5 1 1 A 75 75 ILE CA C 75 66.460 65.368 1.092 1
1 941 . 5 1 1 A 75 75 ILE CB C 75 38.262 37.635 0.627 1
1 945 . 5 1 1 A 75 75 ILE N N 75 120.282 120.311 -0.029 1
1 946 . 5 1 1 A 76 76 PHE H H 76 7.233 8.089 -0.856 1
1 947 . 5 1 1 A 76 76 PHE HA H 76 3.600 3.993 -0.393 1
1 955 . 5 1 1 A 76 76 PHE C C 76 175.036 177.825 -2.789 1
1 956 . 5 1 1 A 76 76 PHE CA C 76 62.227 61.765 0.462 1
1 957 . 5 1 1 A 76 76 PHE CB C 76 40.170 39.368 0.802 1
1 963 . 5 1 1 A 76 76 PHE N N 76 117.265 120.512 -3.247 1
1 964 . 5 1 1 A 77 77 GLN H H 77 8.262 8.198 0.064 1
1 965 . 5 1 1 A 77 77 GLN HA H 77 3.753 3.769 -0.016 1
1 972 . 5 1 1 A 77 77 GLN C C 77 176.132 178.727 -2.595 1
1 973 . 5 1 1 A 77 77 GLN CA C 77 59.113 59.526 -0.413 1
1 974 . 5 1 1 A 77 77 GLN CB C 77 28.487 28.859 -0.372 1
1 976 . 5 1 1 A 77 77 GLN N N 77 118.919 118.552 0.367 1
1 978 . 5 1 1 A 78 78 LYS H H 78 8.508 8.058 0.450 1
1 979 . 5 1 1 A 78 78 LYS HA H 78 3.804 4.063 -0.259 1
1 988 . 5 1 1 A 78 78 LYS C C 78 177.438 179.237 -1.799 1
1 989 . 5 1 1 A 78 78 LYS CA C 78 60.107 59.160 0.947 1
1 990 . 5 1 1 A 78 78 LYS CB C 78 33.160 32.663 0.497 1
1 994 . 5 1 1 A 78 78 LYS N N 78 119.345 119.154 0.191 1
1 995 . 5 1 1 A 79 79 ILE H H 79 8.395 8.151 0.244 1
1 996 . 5 1 1 A 79 79 ILE HA H 79 3.182 3.648 -0.466 1
1 1006 . 5 1 1 A 79 79 ILE C C 79 174.721 177.121 -2.400 1
1 1007 . 5 1 1 A 79 79 ILE CA C 79 66.280 64.844 1.436 1
1 1008 . 5 1 1 A 79 79 ILE CB C 79 38.360 37.197 1.163 1
1 1012 . 5 1 1 A 79 79 ILE N N 79 120.117 120.741 -0.624 1
1 1013 . 5 1 1 A 80 80 SER H H 80 7.459 7.658 -0.199 1
1 1014 . 5 1 1 A 80 80 SER HA H 80 3.868 4.091 -0.223 1
1 1017 . 5 1 1 A 80 80 SER C C 80 171.998 175.618 -3.620 1
1 1018 . 5 1 1 A 80 80 SER CA C 80 61.444 60.625 0.819 1
1 1019 . 5 1 1 A 80 80 SER CB C 80 63.500 62.719 0.781 1
1 1020 . 5 1 1 A 80 80 SER N N 80 110.857 116.927 -6.070 1
1 1021 . 5 1 1 A 81 81 GLN H H 81 7.095 7.699 -0.604 1
1 1022 . 5 1 1 A 81 81 GLN HA H 81 4.143 4.234 -0.091 1
1 1029 . 5 1 1 A 81 81 GLN C C 81 173.743 176.871 -3.128 1
1 1030 . 5 1 1 A 81 81 GLN CA C 81 55.894 56.784 -0.890 1
1 1031 . 5 1 1 A 81 81 GLN CB C 81 29.390 28.669 0.721 1
1 1033 . 5 1 1 A 81 81 GLN N N 81 117.056 119.299 -2.243 1
1 1035 . 5 1 1 A 82 82 LEU H H 82 7.495 7.648 -0.153 1
1 1036 . 5 1 1 A 82 82 LEU HA H 82 4.064 4.141 -0.077 1
1 1046 . 5 1 1 A 82 82 LEU C C 82 175.685 176.469 -0.784 1
1 1047 . 5 1 1 A 82 82 LEU CA C 82 55.730 55.223 0.507 1
1 1048 . 5 1 1 A 82 82 LEU CB C 82 41.740 42.194 -0.454 1
1 1052 . 5 1 1 A 82 82 LEU N N 82 123.191 118.508 4.683 1
1 1053 . 5 1 1 A 83 83 ASP H H 83 8.330 8.218 0.112 1
1 1054 . 5 1 1 A 83 83 ASP HA H 83 4.260 4.449 -0.189 1
1 1057 . 5 1 1 A 83 83 ASP C C 83 174.543 176.911 -2.368 1
1 1058 . 5 1 1 A 83 83 ASP CA C 83 57.056 55.698 1.358 1
1 1059 . 5 1 1 A 83 83 ASP CB C 83 41.590 40.591 0.999 1
1 1060 . 5 1 1 A 83 83 ASP N N 83 122.600 118.736 3.864 1
1 1061 . 5 1 1 A 84 84 LYS H H 84 8.152 8.040 0.112 1
1 1062 . 5 1 1 A 84 84 LYS HA H 84 4.060 4.362 -0.302 1
1 1071 . 5 1 1 A 84 84 LYS C C 84 172.461 175.926 -3.465 1
1 1072 . 5 1 1 A 84 84 LYS CA C 84 57.301 56.408 0.893 1
1 1073 . 5 1 1 A 84 84 LYS CB C 84 31.140 32.914 -1.774 1
1 1077 . 5 1 1 A 84 84 LYS N N 84 113.797 116.381 -2.584 1
1 1078 . 5 1 1 A 85 85 VAL H H 85 7.290 7.495 -0.205 1
1 1079 . 5 1 1 A 85 85 VAL HA H 85 4.230 4.307 -0.077 1
1 1087 . 5 1 1 A 85 85 VAL C C 85 173.934 175.847 -1.913 1
1 1088 . 5 1 1 A 85 85 VAL CA C 85 63.300 61.642 1.658 1
1 1089 . 5 1 1 A 85 85 VAL CB C 85 32.320 33.114 -0.794 1
1 1092 . 5 1 1 A 85 85 VAL N N 85 118.733 120.662 -1.929 1
1 1093 . 5 1 1 A 86 86 VAL H H 86 9.093 9.023 0.070 1
1 1094 . 5 1 1 A 86 86 VAL HA H 86 4.165 4.508 -0.343 1
1 1102 . 5 1 1 A 86 86 VAL C C 86 173.235 175.775 -2.540 1
1 1103 . 5 1 1 A 86 86 VAL CA C 86 62.144 62.008 0.136 1
1 1104 . 5 1 1 A 86 86 VAL CB C 86 33.397 33.785 -0.388 1
1 1107 . 5 1 1 A 86 86 VAL N N 86 125.341 123.631 1.710 1
1 1108 . 5 1 1 A 87 87 GLN H H 87 7.727 7.294 0.433 1
1 1109 . 5 1 1 A 87 87 GLN HA H 87 4.437 4.727 -0.290 1
1 1114 . 5 1 1 A 87 87 GLN C C 87 170.954 173.809 -2.855 1
1 1115 . 5 1 1 A 87 87 GLN CA C 87 56.370 55.572 0.798 1
1 1116 . 5 1 1 A 87 87 GLN CB C 87 32.420 32.404 0.016 1
1 1118 . 5 1 1 A 87 87 GLN N N 87 119.469 120.490 -1.021 1
1 1119 . 5 1 1 A 88 88 THR H H 88 8.087 8.741 -0.654 1
1 1120 . 5 1 1 A 88 88 THR HA H 88 4.857 5.751 -0.894 1
1 1125 . 5 1 1 A 88 88 THR CA C 88 61.850 60.639 1.211 1
1 1126 . 5 1 1 A 88 88 THR CB C 88 69.900 71.154 -1.254 1
1 1128 . 5 1 1 A 88 88 THR N N 88 119.679 115.553 4.126 1
1 1129 . 5 1 1 A 89 89 LEU HA H 89 4.851 5.126 -0.275 1
1 1139 . 5 1 1 A 89 89 LEU C C 89 174.211 176.601 -2.390 1
1 1140 . 5 1 1 A 89 89 LEU CA C 89 54.590 53.293 1.297 1
1 1141 . 5 1 1 A 89 89 LEU CB C 89 44.176 42.844 1.332 1
1 1145 . 5 1 1 A 90 90 GLY H H 90 8.697 8.790 -0.093 1
1 1146 . 5 1 1 A 90 90 GLY HA2 H 90 4.181 4.255 -0.074 1
1 1147 . 5 1 1 A 90 90 GLY HA3 H 90 4.267 4.460 -0.193 1
1 1148 . 5 1 1 A 90 90 GLY C C 90 170.516 173.930 -3.414 1
1 1149 . 5 1 1 A 90 90 GLY CA C 90 45.810 45.911 -0.101 1
1 1150 . 5 1 1 A 90 90 GLY N N 90 109.859 114.227 -4.368 1
1 1 . 6 1 1 A 2 2 GLY HA2 H 2 3.721 4.053 -0.332 1
1 2 . 6 1 1 A 2 2 GLY HA3 H 2 3.721 4.098 -0.377 1
1 3 . 6 1 1 A 2 2 GLY CA C 2 43.440 44.730 -1.290 1
1 4 . 6 1 1 A 3 3 HIS HA H 3 4.602 4.484 0.118 1
1 9 . 6 1 1 A 3 3 HIS C C 3 172.383 174.971 -2.588 1
1 10 . 6 1 1 A 3 3 HIS CA C 3 56.270 57.208 -0.938 1
1 11 . 6 1 1 A 3 3 HIS CB C 3 30.850 30.212 0.638 1
1 14 . 6 1 1 A 4 4 MET H H 4 8.397 8.756 -0.359 1
1 15 . 6 1 1 A 4 4 MET HA H 4 4.720 4.908 -0.188 1
1 23 . 6 1 1 A 4 4 MET CA C 4 53.410 52.861 0.549 1
1 24 . 6 1 1 A 4 4 MET CB C 4 32.550 33.451 -0.901 1
1 27 . 6 1 1 A 4 4 MET N N 4 123.715 123.582 0.133 1
1 28 . 6 1 1 A 5 5 PRO HA H 5 4.340 4.422 -0.082 1
1 35 . 6 1 1 A 5 5 PRO C C 5 174.369 176.832 -2.463 1
1 36 . 6 1 1 A 5 5 PRO CA C 5 63.686 64.660 -0.974 1
1 37 . 6 1 1 A 5 5 PRO CB C 5 32.430 31.908 0.522 1
1 40 . 6 1 1 A 6 6 SER H H 6 8.337 8.041 0.296 1
1 41 . 6 1 1 A 6 6 SER HA H 6 4.299 4.719 -0.420 1
1 44 . 6 1 1 A 6 6 SER C C 6 171.770 173.256 -1.486 1
1 45 . 6 1 1 A 6 6 SER CA C 6 58.800 56.712 2.088 1
1 46 . 6 1 1 A 6 6 SER CB C 6 63.896 63.933 -0.037 1
1 47 . 6 1 1 A 6 6 SER N N 6 115.479 110.260 5.219 1
1 48 . 6 1 1 A 7 7 ASP H H 7 8.269 8.764 -0.495 1
1 49 . 6 1 1 A 7 7 ASP HA H 7 4.545 4.642 -0.097 1
1 52 . 6 1 1 A 7 7 ASP C C 7 173.646 176.088 -2.442 1
1 53 . 6 1 1 A 7 7 ASP CA C 7 54.571 54.477 0.094 1
1 54 . 6 1 1 A 7 7 ASP CB C 7 41.353 40.969 0.384 1
1 55 . 6 1 1 A 7 7 ASP N N 7 122.367 124.614 -2.247 1
1 56 . 6 1 1 A 8 8 SER H H 8 8.126 8.481 -0.355 1
1 57 . 6 1 1 A 8 8 SER HA H 8 4.337 5.259 -0.922 1
1 60 . 6 1 1 A 8 8 SER C C 8 171.792 174.225 -2.433 1
1 61 . 6 1 1 A 8 8 SER CA C 8 58.950 56.535 2.415 1
1 62 . 6 1 1 A 8 8 SER CB C 8 64.140 64.624 -0.484 1
1 63 . 6 1 1 A 8 8 SER N N 8 116.038 116.269 -0.231 1
1 64 . 6 1 1 A 9 9 LYS H H 9 8.400 9.073 -0.673 1
1 65 . 6 1 1 A 9 9 LYS HA H 9 4.225 5.287 -1.062 1
1 74 . 6 1 1 A 9 9 LYS C C 9 173.626 174.847 -1.221 1
1 75 . 6 1 1 A 9 9 LYS CA C 9 56.391 53.834 2.557 1
1 76 . 6 1 1 A 9 9 LYS CB C 9 32.970 36.504 -3.534 1
1 80 . 6 1 1 A 9 9 LYS N N 9 122.400 121.761 0.639 1
1 81 . 6 1 1 A 10 10 LYS H H 10 8.180 8.703 -0.523 1
1 82 . 6 1 1 A 10 10 LYS HA H 10 4.493 4.819 -0.326 1
1 91 . 6 1 1 A 10 10 LYS CA C 10 54.500 52.216 2.284 1
1 92 . 6 1 1 A 10 10 LYS CB C 10 32.750 34.659 -1.909 1
1 96 . 6 1 1 A 10 10 LYS N N 10 123.900 119.907 3.993 1
1 97 . 6 1 1 A 11 11 PRO HA H 11 4.404 4.449 -0.045 1
1 104 . 6 1 1 A 11 11 PRO C C 11 174.099 176.738 -2.639 1
1 105 . 6 1 1 A 11 11 PRO CA C 11 63.451 63.325 0.126 1
1 106 . 6 1 1 A 11 11 PRO CB C 11 32.405 32.229 0.176 1
1 109 . 6 1 1 A 12 12 THR H H 12 8.277 8.445 -0.168 1
1 110 . 6 1 1 A 12 12 THR HA H 12 4.156 4.465 -0.309 1
1 115 . 6 1 1 A 12 12 THR C C 12 171.255 174.280 -3.025 1
1 116 . 6 1 1 A 12 12 THR CA C 12 62.829 62.614 0.215 1
1 117 . 6 1 1 A 12 12 THR CB C 12 70.113 68.926 1.187 1
1 119 . 6 1 1 A 12 12 THR N N 12 116.775 118.379 -1.604 1
1 120 . 6 1 1 A 13 13 ILE H H 13 8.141 8.970 -0.829 1
1 121 . 6 1 1 A 13 13 ILE HA H 13 3.880 4.446 -0.566 1
1 131 . 6 1 1 A 13 13 ILE C C 13 171.936 175.884 -3.948 1
1 132 . 6 1 1 A 13 13 ILE CA C 13 61.000 60.342 0.658 1
1 133 . 6 1 1 A 13 13 ILE CB C 13 38.957 38.078 0.879 1
1 137 . 6 1 1 A 13 13 ILE N N 13 126.554 128.163 -1.609 1
1 138 . 6 1 1 A 14 14 ILE H H 14 7.890 8.442 -0.552 1
1 139 . 6 1 1 A 14 14 ILE HA H 14 4.045 4.322 -0.277 1
1 149 . 6 1 1 A 14 14 ILE C C 14 171.624 174.970 -3.346 1
1 150 . 6 1 1 A 14 14 ILE CA C 14 60.132 61.402 -1.270 1
1 151 . 6 1 1 A 14 14 ILE CB C 14 38.760 38.019 0.741 1
1 155 . 6 1 1 A 14 14 ILE N N 14 127.503 128.386 -0.883 1
1 156 . 6 1 1 A 15 15 TYR H H 15 8.185 8.846 -0.661 1
1 165 . 6 1 1 A 15 15 TYR N N 15 123.664 125.070 -1.406 1
1 166 . 6 1 1 A 16 16 PRO HA H 16 5.087 5.426 -0.339 1
1 173 . 6 1 1 A 16 16 PRO C C 16 172.702 174.915 -2.213 1
1 174 . 6 1 1 A 16 16 PRO CA C 16 62.891 62.840 0.051 1
1 175 . 6 1 1 A 16 16 PRO CB C 16 36.288 33.216 3.072 1
1 178 . 6 1 1 A 17 17 CYS H H 17 8.579 8.725 -0.146 1
1 179 . 6 1 1 A 17 17 CYS HA H 17 4.924 4.925 -0.001 1
1 182 . 6 1 1 A 17 17 CYS C C 17 169.725 173.230 -3.505 1
1 183 . 6 1 1 A 17 17 CYS CA C 17 55.925 57.815 -1.890 1
1 184 . 6 1 1 A 17 17 CYS CB C 17 31.200 31.821 -0.621 1
1 185 . 6 1 1 A 17 17 CYS N N 17 114.797 119.246 -4.449 1
1 186 . 6 1 1 A 18 18 LEU H H 18 8.449 8.474 -0.025 1
1 187 . 6 1 1 A 18 18 LEU HA H 18 4.336 5.024 -0.688 1
1 197 . 6 1 1 A 18 18 LEU C C 18 172.529 175.808 -3.279 1
1 198 . 6 1 1 A 18 18 LEU CA C 18 55.600 54.361 1.239 1
1 199 . 6 1 1 A 18 18 LEU CB C 18 42.550 43.001 -0.451 1
1 203 . 6 1 1 A 18 18 LEU N N 18 122.242 123.109 -0.867 1
1 204 . 6 1 1 A 19 19 TRP H H 19 9.079 8.811 0.268 1
1 205 . 6 1 1 A 19 19 TRP HA H 19 4.300 5.268 -0.968 1
1 214 . 6 1 1 A 19 19 TRP C C 19 170.195 174.077 -3.882 1
1 215 . 6 1 1 A 19 19 TRP CA C 19 56.750 55.275 1.475 1
1 216 . 6 1 1 A 19 19 TRP CB C 19 33.935 32.763 1.172 1
1 222 . 6 1 1 A 19 19 TRP N N 19 130.082 126.844 3.238 1
1 224 . 6 1 1 A 20 20 ASP H H 20 6.314 8.461 -2.147 1
1 225 . 6 1 1 A 20 20 ASP HA H 20 5.559 5.089 0.470 1
1 228 . 6 1 1 A 20 20 ASP C C 20 172.285 174.730 -2.445 1
1 229 . 6 1 1 A 20 20 ASP CA C 20 52.900 54.294 -1.394 1
1 230 . 6 1 1 A 20 20 ASP CB C 20 43.450 41.652 1.798 1
1 231 . 6 1 1 A 20 20 ASP N N 20 122.801 125.654 -2.853 1
1 232 . 6 1 1 A 21 21 TYR H H 21 9.519 9.708 -0.189 1
1 233 . 6 1 1 A 21 21 TYR HA H 21 4.975 5.233 -0.258 1
1 240 . 6 1 1 A 21 21 TYR C C 21 172.202 174.866 -2.664 1
1 241 . 6 1 1 A 21 21 TYR CA C 21 56.910 57.162 -0.252 1
1 242 . 6 1 1 A 21 21 TYR CB C 21 40.850 41.155 -0.305 1
1 247 . 6 1 1 A 21 21 TYR N N 21 120.749 123.089 -2.340 1
1 248 . 6 1 1 A 22 22 ARG H H 22 8.758 9.189 -0.431 1
1 249 . 6 1 1 A 22 22 ARG HA H 22 5.189 4.978 0.211 1
1 256 . 6 1 1 A 22 22 ARG C C 22 172.210 175.100 -2.890 1
1 257 . 6 1 1 A 22 22 ARG CA C 22 55.180 55.072 0.108 1
1 258 . 6 1 1 A 22 22 ARG CB C 22 31.360 31.988 -0.628 1
1 261 . 6 1 1 A 22 22 ARG N N 22 124.405 124.028 0.377 1
1 262 . 6 1 1 A 23 23 VAL H H 23 9.170 9.530 -0.360 1
1 263 . 6 1 1 A 23 23 VAL HA H 23 4.591 4.724 -0.133 1
1 271 . 6 1 1 A 23 23 VAL C C 23 171.354 174.966 -3.612 1
1 272 . 6 1 1 A 23 23 VAL CA C 23 61.836 61.713 0.123 1
1 273 . 6 1 1 A 23 23 VAL CB C 23 35.725 33.018 2.707 1
1 276 . 6 1 1 A 23 23 VAL N N 23 125.900 127.481 -1.581 1
1 277 . 6 1 1 A 24 24 ILE H H 24 8.919 9.317 -0.398 1
1 278 . 6 1 1 A 24 24 ILE HA H 24 5.119 5.076 0.043 1
1 288 . 6 1 1 A 24 24 ILE C C 24 173.492 175.363 -1.871 1
1 289 . 6 1 1 A 24 24 ILE CA C 24 60.567 60.729 -0.162 1
1 290 . 6 1 1 A 24 24 ILE CB C 24 38.346 38.003 0.343 1
1 294 . 6 1 1 A 24 24 ILE N N 24 127.789 128.925 -1.136 1
1 295 . 6 1 1 A 25 25 MET H H 25 9.857 8.962 0.895 1
1 296 . 6 1 1 A 25 25 MET HA H 25 6.017 5.051 0.966 1
1 304 . 6 1 1 A 25 25 MET C C 25 174.379 177.201 -2.822 1
1 305 . 6 1 1 A 25 25 MET CA C 25 54.898 54.490 0.408 1
1 306 . 6 1 1 A 25 25 MET CB C 25 40.260 35.462 4.798 1
1 309 . 6 1 1 A 25 25 MET N N 25 124.403 126.688 -2.285 1
1 310 . 6 1 1 A 26 26 THR H H 26 8.843 8.806 0.037 1
1 311 . 6 1 1 A 26 26 THR HA H 26 4.875 5.020 -0.145 1
1 316 . 6 1 1 A 26 26 THR C C 26 170.849 174.225 -3.376 1
1 317 . 6 1 1 A 26 26 THR CA C 26 61.826 61.697 0.129 1
1 318 . 6 1 1 A 26 26 THR CB C 26 68.846 68.998 -0.152 1
1 320 . 6 1 1 A 26 26 THR N N 26 108.669 112.054 -3.385 1
1 321 . 6 1 1 A 27 27 THR H H 27 7.342 7.725 -0.383 1
1 322 . 6 1 1 A 27 27 THR HA H 27 4.618 4.580 0.038 1
1 327 . 6 1 1 A 27 27 THR C C 27 166.898 172.855 -5.957 1
1 328 . 6 1 1 A 27 27 THR CA C 27 58.657 60.299 -1.642 1
1 329 . 6 1 1 A 27 27 THR CB C 27 69.696 70.084 -0.388 1
1 331 . 6 1 1 A 27 27 THR N N 27 114.866 114.571 0.295 1
1 332 . 6 1 1 A 28 28 LYS H H 28 7.638 8.486 -0.848 1
1 333 . 6 1 1 A 28 28 LYS HA H 28 3.991 4.717 -0.726 1
1 342 . 6 1 1 A 28 28 LYS C C 28 173.190 176.337 -3.147 1
1 343 . 6 1 1 A 28 28 LYS CA C 28 55.731 56.258 -0.527 1
1 344 . 6 1 1 A 28 28 LYS CB C 28 32.790 32.224 0.566 1
1 348 . 6 1 1 A 28 28 LYS N N 28 121.283 123.856 -2.573 1
1 349 . 6 1 1 A 29 29 ASP H H 29 8.184 7.397 0.787 1
1 350 . 6 1 1 A 29 29 ASP HA H 29 4.401 4.579 -0.178 1
1 353 . 6 1 1 A 29 29 ASP C C 29 173.830 174.748 -0.918 1
1 354 . 6 1 1 A 29 29 ASP CA C 29 53.979 53.172 0.807 1
1 355 . 6 1 1 A 29 29 ASP CB C 29 40.730 39.659 1.071 1
1 356 . 6 1 1 A 29 29 ASP N N 29 120.231 122.616 -2.385 1
1 357 . 6 1 1 A 30 30 THR H H 30 7.830 8.495 -0.665 1
1 358 . 6 1 1 A 30 30 THR HA H 30 3.742 4.642 -0.900 1
1 363 . 6 1 1 A 30 30 THR C C 30 172.987 173.741 -0.754 1
1 364 . 6 1 1 A 30 30 THR CA C 30 61.299 60.048 1.251 1
1 365 . 6 1 1 A 30 30 THR CB C 30 69.294 68.798 0.496 1
1 367 . 6 1 1 A 30 30 THR N N 30 115.459 120.672 -5.213 1
1 368 . 6 1 1 A 31 31 SER H H 31 8.561 8.621 -0.060 1
1 369 . 6 1 1 A 31 31 SER HA H 31 3.875 4.621 -0.746 1
1 372 . 6 1 1 A 31 31 SER CA C 31 63.520 59.523 3.997 1
1 373 . 6 1 1 A 31 31 SER CB C 31 62.332 64.671 -2.339 1
1 374 . 6 1 1 A 31 31 SER N N 31 119.763 124.930 -5.167 1
1 375 . 6 1 1 A 32 32 THR HA H 32 3.961 3.912 0.049 1
1 380 . 6 1 1 A 32 32 THR C C 32 173.850 175.909 -2.059 1
1 381 . 6 1 1 A 32 32 THR CA C 32 65.447 66.850 -1.403 1
1 382 . 6 1 1 A 32 32 THR CB C 32 68.715 68.657 0.058 1
1 384 . 6 1 1 A 33 33 LEU H H 33 7.209 7.963 -0.754 1
1 385 . 6 1 1 A 33 33 LEU HA H 33 3.950 3.865 0.085 1
1 395 . 6 1 1 A 33 33 LEU C C 33 174.505 178.621 -4.116 1
1 396 . 6 1 1 A 33 33 LEU CA C 33 57.653 58.178 -0.525 1
1 397 . 6 1 1 A 33 33 LEU CB C 33 42.210 41.336 0.874 1
1 401 . 6 1 1 A 33 33 LEU N N 33 125.158 121.516 3.642 1
1 402 . 6 1 1 A 34 34 LYS H H 34 8.671 7.860 0.811 1
1 403 . 6 1 1 A 34 34 LYS HA H 34 3.552 3.553 -0.001 1
1 412 . 6 1 1 A 34 34 LYS C C 34 174.794 179.175 -4.381 1
1 413 . 6 1 1 A 34 34 LYS CA C 34 61.226 59.490 1.736 1
1 414 . 6 1 1 A 34 34 LYS CB C 34 32.880 32.221 0.659 1
1 418 . 6 1 1 A 34 34 LYS N N 34 119.112 118.536 0.576 1
1 419 . 6 1 1 A 35 35 GLU H H 35 7.813 8.053 -0.240 1
1 420 . 6 1 1 A 35 35 GLU HA H 35 3.863 4.128 -0.265 1
1 425 . 6 1 1 A 35 35 GLU C C 35 176.222 179.419 -3.197 1
1 426 . 6 1 1 A 35 35 GLU CA C 35 59.721 58.920 0.801 1
1 427 . 6 1 1 A 35 35 GLU CB C 35 29.898 29.529 0.369 1
1 429 . 6 1 1 A 35 35 GLU N N 35 116.554 120.528 -3.974 1
1 430 . 6 1 1 A 36 36 LEU H H 36 7.153 7.806 -0.653 1
1 431 . 6 1 1 A 36 36 LEU HA H 36 4.175 3.961 0.214 1
1 441 . 6 1 1 A 36 36 LEU C C 36 177.281 179.089 -1.808 1
1 442 . 6 1 1 A 36 36 LEU CA C 36 58.018 57.978 0.040 1
1 443 . 6 1 1 A 36 36 LEU CB C 36 41.720 41.155 0.565 1
1 447 . 6 1 1 A 36 36 LEU N N 36 119.071 119.209 -0.138 1
1 448 . 6 1 1 A 37 37 LEU H H 37 8.245 7.989 0.256 1
1 449 . 6 1 1 A 37 37 LEU HA H 37 3.749 4.000 -0.251 1
1 459 . 6 1 1 A 37 37 LEU C C 37 177.903 179.204 -1.301 1
1 460 . 6 1 1 A 37 37 LEU CA C 37 58.278 58.057 0.221 1
1 461 . 6 1 1 A 37 37 LEU CB C 37 39.600 40.532 -0.932 1
1 465 . 6 1 1 A 37 37 LEU N N 37 121.326 118.908 2.418 1
1 466 . 6 1 1 A 38 38 GLU H H 38 8.641 8.190 0.451 1
1 467 . 6 1 1 A 38 38 GLU HA H 38 4.320 4.087 0.233 1
1 472 . 6 1 1 A 38 38 GLU C C 38 177.074 179.464 -2.390 1
1 473 . 6 1 1 A 38 38 GLU CA C 38 59.619 59.463 0.156 1
1 474 . 6 1 1 A 38 38 GLU CB C 38 29.850 29.186 0.664 1
1 476 . 6 1 1 A 38 38 GLU N N 38 119.504 118.845 0.659 1
1 477 . 6 1 1 A 39 39 THR H H 39 7.653 7.837 -0.184 1
1 478 . 6 1 1 A 39 39 THR HA H 39 4.097 4.042 0.055 1
1 483 . 6 1 1 A 39 39 THR C C 39 173.229 175.339 -2.110 1
1 484 . 6 1 1 A 39 39 THR CA C 39 65.080 65.054 0.026 1
1 485 . 6 1 1 A 39 39 THR CB C 39 69.952 68.369 1.583 1
1 487 . 6 1 1 A 39 39 THR N N 39 110.838 113.390 -2.552 1
1 488 . 6 1 1 A 40 40 TYR H H 40 7.478 7.635 -0.157 1
1 489 . 6 1 1 A 40 40 TYR HA H 40 4.073 4.688 -0.615 1
1 496 . 6 1 1 A 40 40 TYR C C 40 172.486 174.968 -2.482 1
1 497 . 6 1 1 A 40 40 TYR CA C 40 61.549 56.862 4.687 1
1 498 . 6 1 1 A 40 40 TYR CB C 40 37.140 38.071 -0.931 1
1 503 . 6 1 1 A 40 40 TYR N N 40 118.654 120.375 -1.721 1
1 504 . 6 1 1 A 41 41 GLN H H 41 7.901 8.184 -0.283 1
1 505 . 6 1 1 A 41 41 GLN HA H 41 3.963 3.950 0.013 1
1 512 . 6 1 1 A 41 41 GLN C C 41 171.223 174.171 -2.948 1
1 513 . 6 1 1 A 41 41 GLN CA C 41 57.158 57.251 -0.093 1
1 514 . 6 1 1 A 41 41 GLN CB C 41 27.330 26.423 0.907 1
1 516 . 6 1 1 A 41 41 GLN N N 41 116.315 116.079 0.236 1
1 518 . 6 1 1 A 42 42 ARG H H 42 8.493 7.791 0.702 1
1 519 . 6 1 1 A 42 42 ARG HA H 42 5.052 5.071 -0.019 1
1 527 . 6 1 1 A 42 42 ARG CA C 42 54.040 53.644 0.396 1
1 528 . 6 1 1 A 42 42 ARG CB C 42 30.650 32.525 -1.875 1
1 531 . 6 1 1 A 42 42 ARG N N 42 115.494 115.617 -0.123 1
1 533 . 6 1 1 A 43 43 PRO HA H 43 4.390 4.857 -0.467 1
1 540 . 6 1 1 A 43 43 PRO C C 43 172.836 176.618 -3.782 1
1 541 . 6 1 1 A 43 43 PRO CA C 43 63.574 62.634 0.940 1
1 542 . 6 1 1 A 43 43 PRO CB C 43 32.500 33.181 -0.681 1
1 545 . 6 1 1 A 44 44 PHE H H 44 7.742 8.704 -0.962 1
1 546 . 6 1 1 A 44 44 PHE HA H 44 5.281 5.516 -0.235 1
1 554 . 6 1 1 A 44 44 PHE C C 44 170.840 172.258 -1.418 1
1 555 . 6 1 1 A 44 44 PHE CA C 44 56.174 55.886 0.288 1
1 556 . 6 1 1 A 44 44 PHE CB C 44 42.280 42.440 -0.160 1
1 562 . 6 1 1 A 44 44 PHE N N 44 115.046 118.274 -3.228 1
1 563 . 6 1 1 A 45 45 LYS H H 45 8.944 9.355 -0.411 1
1 564 . 6 1 1 A 45 45 LYS HA H 45 4.641 4.960 -0.319 1
1 573 . 6 1 1 A 45 45 LYS C C 45 171.934 174.459 -2.525 1
1 574 . 6 1 1 A 45 45 LYS CA C 45 55.210 54.990 0.220 1
1 575 . 6 1 1 A 45 45 LYS CB C 45 35.600 34.788 0.812 1
1 579 . 6 1 1 A 45 45 LYS N N 45 121.090 120.973 0.117 1
1 580 . 6 1 1 A 46 46 LEU H H 46 8.897 9.012 -0.115 1
1 581 . 6 1 1 A 46 46 LEU HA H 46 5.332 5.190 0.142 1
1 590 . 6 1 1 A 46 46 LEU C C 46 172.666 175.106 -2.440 1
1 591 . 6 1 1 A 46 46 LEU CA C 46 54.510 53.871 0.639 1
1 592 . 6 1 1 A 46 46 LEU CB C 46 44.620 44.721 -0.101 1
1 595 . 6 1 1 A 46 46 LEU N N 46 128.615 129.164 -0.549 1
1 596 . 6 1 1 A 47 47 GLU H H 47 9.220 9.176 0.044 1
1 597 . 6 1 1 A 47 47 GLU HA H 47 4.911 5.004 -0.093 1
1 602 . 6 1 1 A 47 47 GLU C C 47 172.392 174.839 -2.447 1
1 603 . 6 1 1 A 47 47 GLU CA C 47 54.980 54.928 0.052 1
1 604 . 6 1 1 A 47 47 GLU CB C 47 34.490 32.839 1.651 1
1 606 . 6 1 1 A 47 47 GLU N N 47 125.300 126.415 -1.115 1
1 607 . 6 1 1 A 48 48 PHE H H 48 9.157 9.259 -0.102 1
1 608 . 6 1 1 A 48 48 PHE HA H 48 4.302 4.894 -0.592 1
1 616 . 6 1 1 A 48 48 PHE C C 48 171.971 174.302 -2.331 1
1 617 . 6 1 1 A 48 48 PHE CA C 48 58.240 57.059 1.181 1
1 618 . 6 1 1 A 48 48 PHE CB C 48 39.410 39.774 -0.364 1
1 624 . 6 1 1 A 48 48 PHE N N 48 126.911 126.137 0.774 1
1 625 . 6 1 1 A 49 49 LYS H H 49 8.256 8.697 -0.441 1
1 626 . 6 1 1 A 49 49 LYS HA H 49 4.176 4.053 0.123 1
1 635 . 6 1 1 A 49 49 LYS C C 49 172.030 176.304 -4.274 1
1 636 . 6 1 1 A 49 49 LYS CA C 49 55.244 57.841 -2.597 1
1 637 . 6 1 1 A 49 49 LYS CB C 49 32.640 32.753 -0.113 1
1 641 . 6 1 1 A 49 49 LYS N N 49 127.526 126.828 0.698 1
1 642 . 6 1 1 A 50 50 ASN H H 50 7.062 7.108 -0.046 1
1 643 . 6 1 1 A 50 50 ASN HA H 50 4.353 4.430 -0.077 1
1 648 . 6 1 1 A 50 50 ASN C C 50 171.278 172.323 -1.045 1
1 649 . 6 1 1 A 50 50 ASN CA C 50 53.807 51.718 2.089 1
1 650 . 6 1 1 A 50 50 ASN CB C 50 40.460 40.451 0.009 1
1 651 . 6 1 1 A 50 50 ASN N N 50 115.764 110.924 4.840 1
1 653 . 6 1 1 A 51 51 THR H H 51 8.217 8.628 -0.411 1
1 654 . 6 1 1 A 51 51 THR HA H 51 4.685 4.712 -0.027 1
1 659 . 6 1 1 A 51 51 THR C C 51 171.816 174.087 -2.271 1
1 660 . 6 1 1 A 51 51 THR CA C 51 61.243 61.128 0.115 1
1 661 . 6 1 1 A 51 51 THR CB C 51 70.632 70.407 0.225 1
1 663 . 6 1 1 A 51 51 THR N N 51 114.341 115.704 -1.363 1
1 664 . 6 1 1 A 52 52 SER H H 52 8.314 8.995 -0.681 1
1 665 . 6 1 1 A 52 52 SER HA H 52 4.395 4.556 -0.161 1
1 668 . 6 1 1 A 52 52 SER CA C 52 58.470 58.603 -0.133 1
1 669 . 6 1 1 A 52 52 SER CB C 52 64.580 63.911 0.669 1
1 670 . 6 1 1 A 52 52 SER N N 52 118.503 120.767 -2.264 1
1 671 . 6 1 1 A 54 54 ASN HA H 54 4.484 4.634 -0.150 1
1 676 . 6 1 1 A 54 54 ASN C C 54 171.753 175.331 -3.578 1
1 677 . 6 1 1 A 54 54 ASN CA C 54 53.296 52.893 0.403 1
1 678 . 6 1 1 A 54 54 ASN CB C 54 38.080 38.330 -0.250 1
1 680 . 6 1 1 A 55 55 ALA H H 55 7.927 7.939 -0.012 1
1 681 . 6 1 1 A 55 55 ALA HA H 55 3.759 4.185 -0.426 1
1 685 . 6 1 1 A 55 55 ALA C C 55 173.386 177.018 -3.632 1
1 686 . 6 1 1 A 55 55 ALA CA C 55 53.266 53.683 -0.417 1
1 687 . 6 1 1 A 55 55 ALA CB C 55 18.180 17.898 0.282 1
1 688 . 6 1 1 A 55 55 ALA N N 55 120.429 119.873 0.556 1
1 689 . 6 1 1 A 56 56 LYS H H 56 7.426 7.648 -0.222 1
1 690 . 6 1 1 A 56 56 LYS HA H 56 3.919 3.869 0.050 1
1 702 . 6 1 1 A 56 56 LYS C C 56 172.612 175.764 -3.152 1
1 703 . 6 1 1 A 56 56 LYS CA C 56 57.113 57.607 -0.494 1
1 704 . 6 1 1 A 56 56 LYS CB C 56 33.566 33.083 0.483 1
1 708 . 6 1 1 A 56 56 LYS N N 56 116.392 117.282 -0.890 1
1 710 . 6 1 1 A 57 57 PHE H H 57 7.253 7.077 0.176 1
1 711 . 6 1 1 A 57 57 PHE HA H 57 5.062 5.335 -0.273 1
1 719 . 6 1 1 A 57 57 PHE C C 57 171.527 173.750 -2.223 1
1 720 . 6 1 1 A 57 57 PHE CA C 57 54.920 56.313 -1.393 1
1 721 . 6 1 1 A 57 57 PHE CB C 57 41.910 41.735 0.175 1
1 727 . 6 1 1 A 57 57 PHE N N 57 113.835 116.521 -2.686 1
1 728 . 6 1 1 A 58 58 TYR H H 58 9.172 9.660 -0.488 1
1 729 . 6 1 1 A 58 58 TYR HA H 58 4.746 5.131 -0.385 1
1 736 . 6 1 1 A 58 58 TYR C C 58 171.294 174.671 -3.377 1
1 737 . 6 1 1 A 58 58 TYR CA C 58 57.770 57.055 0.715 1
1 738 . 6 1 1 A 58 58 TYR CB C 58 41.784 40.514 1.270 1
1 743 . 6 1 1 A 58 58 TYR N N 58 121.139 123.461 -2.322 1
1 744 . 6 1 1 A 59 59 SER H H 59 8.786 8.932 -0.146 1
1 745 . 6 1 1 A 59 59 SER HA H 59 5.399 4.947 0.452 1
1 748 . 6 1 1 A 59 59 SER C C 59 170.105 173.408 -3.303 1
1 749 . 6 1 1 A 59 59 SER CA C 59 57.650 57.157 0.493 1
1 750 . 6 1 1 A 59 59 SER CB C 59 65.220 63.820 1.400 1
1 751 . 6 1 1 A 59 59 SER N N 59 118.511 119.998 -1.487 1
1 752 . 6 1 1 A 60 60 PHE H H 60 9.389 9.700 -0.311 1
1 753 . 6 1 1 A 60 60 PHE HA H 60 5.210 5.476 -0.266 1
1 761 . 6 1 1 A 60 60 PHE C C 60 172.188 174.507 -2.319 1
1 762 . 6 1 1 A 60 60 PHE CA C 60 56.824 56.271 0.553 1
1 763 . 6 1 1 A 60 60 PHE CB C 60 43.645 42.628 1.017 1
1 769 . 6 1 1 A 60 60 PHE N N 60 121.864 127.119 -5.255 1
1 770 . 6 1 1 A 61 61 ASN H H 61 9.448 9.496 -0.048 1
1 771 . 6 1 1 A 61 61 ASN HA H 61 5.564 5.936 -0.372 1
1 776 . 6 1 1 A 61 61 ASN C C 61 171.756 174.091 -2.335 1
1 777 . 6 1 1 A 61 61 ASN CA C 61 53.012 52.135 0.877 1
1 778 . 6 1 1 A 61 61 ASN CB C 61 42.580 42.008 0.572 1
1 779 . 6 1 1 A 61 61 ASN N N 61 121.107 119.471 1.636 1
1 781 . 6 1 1 A 62 62 VAL H H 62 9.361 9.484 -0.123 1
1 782 . 6 1 1 A 62 62 VAL HA H 62 5.159 5.483 -0.324 1
1 790 . 6 1 1 A 62 62 VAL C C 62 171.964 175.307 -3.343 1
1 791 . 6 1 1 A 62 62 VAL CA C 62 60.991 61.341 -0.350 1
1 792 . 6 1 1 A 62 62 VAL CB C 62 35.350 34.371 0.979 1
1 795 . 6 1 1 A 62 62 VAL N N 62 126.781 125.782 0.999 1
1 796 . 6 1 1 A 63 63 SER H H 63 8.750 9.023 -0.273 1
1 797 . 6 1 1 A 63 63 SER HA H 63 5.955 6.401 -0.446 1
1 800 . 6 1 1 A 63 63 SER C C 63 171.905 173.948 -2.043 1
1 801 . 6 1 1 A 63 63 SER CA C 63 56.587 56.544 0.043 1
1 802 . 6 1 1 A 63 63 SER CB C 63 65.231 65.504 -0.273 1
1 803 . 6 1 1 A 63 63 SER N N 63 120.886 121.890 -1.004 1
1 804 . 6 1 1 A 64 64 MET H H 64 8.918 8.800 0.118 1
1 805 . 6 1 1 A 64 64 MET HA H 64 4.622 5.282 -0.660 1
1 813 . 6 1 1 A 64 64 MET C C 64 170.352 175.147 -4.795 1
1 814 . 6 1 1 A 64 64 MET CA C 64 55.950 53.790 2.160 1
1 815 . 6 1 1 A 64 64 MET CB C 64 38.000 35.928 2.072 1
1 818 . 6 1 1 A 64 64 MET N N 64 123.839 120.898 2.941 1
1 819 . 6 1 1 A 65 65 GLU H H 65 9.213 8.404 0.809 1
1 820 . 6 1 1 A 65 65 GLU HA H 65 4.740 4.829 -0.089 1
1 825 . 6 1 1 A 65 65 GLU C C 65 172.659 176.404 -3.745 1
1 826 . 6 1 1 A 65 65 GLU CA C 65 57.547 56.917 0.630 1
1 827 . 6 1 1 A 65 65 GLU CB C 65 31.100 30.053 1.047 1
1 829 . 6 1 1 A 65 65 GLU N N 65 125.938 119.735 6.203 1
1 830 . 6 1 1 A 66 66 VAL H H 66 9.031 9.136 -0.105 1
1 831 . 6 1 1 A 66 66 VAL HA H 66 4.632 4.687 -0.055 1
1 839 . 6 1 1 A 66 66 VAL C C 66 174.252 176.216 -1.964 1
1 840 . 6 1 1 A 66 66 VAL CA C 66 59.454 61.022 -1.568 1
1 841 . 6 1 1 A 66 66 VAL CB C 66 35.450 33.635 1.815 1
1 844 . 6 1 1 A 66 66 VAL N N 66 117.398 122.385 -4.987 1
1 845 . 6 1 1 A 67 67 SER H H 67 9.309 8.882 0.427 1
1 846 . 6 1 1 A 67 67 SER HA H 67 4.185 4.559 -0.374 1
1 849 . 6 1 1 A 67 67 SER C C 67 170.646 174.922 -4.276 1
1 850 . 6 1 1 A 67 67 SER CA C 67 61.719 60.304 1.415 1
1 851 . 6 1 1 A 67 67 SER CB C 67 64.540 64.132 0.408 1
1 852 . 6 1 1 A 67 67 SER N N 67 116.754 120.653 -3.899 1
1 853 . 6 1 1 A 68 68 ASN H H 68 7.279 7.881 -0.602 1
1 854 . 6 1 1 A 68 68 ASN HA H 68 3.345 4.543 -1.198 1
1 859 . 6 1 1 A 68 68 ASN C C 68 170.781 175.127 -4.346 1
1 860 . 6 1 1 A 68 68 ASN CA C 68 51.758 52.115 -0.357 1
1 861 . 6 1 1 A 68 68 ASN CB C 68 38.809 39.470 -0.661 1
1 862 . 6 1 1 A 68 68 ASN N N 68 110.062 115.218 -5.156 1
1 864 . 6 1 1 A 69 69 GLU H H 69 8.126 8.435 -0.309 1
1 865 . 6 1 1 A 69 69 GLU HA H 69 3.337 3.614 -0.277 1
1 870 . 6 1 1 A 69 69 GLU C C 69 174.537 177.951 -3.414 1
1 871 . 6 1 1 A 69 69 GLU CA C 69 59.749 59.432 0.317 1
1 872 . 6 1 1 A 69 69 GLU CB C 69 30.250 29.257 0.993 1
1 874 . 6 1 1 A 69 69 GLU N N 69 120.604 119.843 0.761 1
1 875 . 6 1 1 A 70 70 SER H H 70 7.981 8.013 -0.032 1
1 876 . 6 1 1 A 70 70 SER HA H 70 4.030 4.087 -0.057 1
1 879 . 6 1 1 A 70 70 SER C C 70 174.715 176.724 -2.009 1
1 880 . 6 1 1 A 70 70 SER CA C 70 62.097 61.804 0.293 1
1 881 . 6 1 1 A 70 70 SER CB C 70 62.350 62.895 -0.545 1
1 882 . 6 1 1 A 70 70 SER N N 70 114.770 116.892 -2.122 1
1 883 . 6 1 1 A 71 71 GLU H H 71 8.572 7.428 1.144 1
1 884 . 6 1 1 A 71 71 GLU HA H 71 3.927 4.124 -0.197 1
1 889 . 6 1 1 A 71 71 GLU C C 71 174.769 179.242 -4.473 1
1 890 . 6 1 1 A 71 71 GLU CA C 71 59.849 59.334 0.515 1
1 891 . 6 1 1 A 71 71 GLU CB C 71 30.950 29.567 1.383 1
1 893 . 6 1 1 A 71 71 GLU N N 71 124.163 122.343 1.820 1
1 894 . 6 1 1 A 72 72 ARG H H 72 7.797 7.837 -0.040 1
1 895 . 6 1 1 A 72 72 ARG HA H 72 3.776 4.547 -0.771 1
1 900 . 6 1 1 A 72 72 ARG C C 72 177.552 178.521 -0.969 1
1 901 . 6 1 1 A 72 72 ARG CA C 72 58.680 59.001 -0.321 1
1 902 . 6 1 1 A 72 72 ARG CB C 72 30.110 29.577 0.533 1
1 905 . 6 1 1 A 72 72 ARG N N 72 118.396 118.804 -0.408 1
1 906 . 6 1 1 A 73 73 ASN H H 73 8.175 7.722 0.453 1
1 907 . 6 1 1 A 73 73 ASN HA H 73 4.461 4.476 -0.015 1
1 912 . 6 1 1 A 73 73 ASN C C 73 174.089 177.837 -3.748 1
1 913 . 6 1 1 A 73 73 ASN CA C 73 55.500 56.124 -0.624 1
1 914 . 6 1 1 A 73 73 ASN CB C 73 37.844 38.112 -0.268 1
1 915 . 6 1 1 A 73 73 ASN N N 73 118.156 118.091 0.065 1
1 917 . 6 1 1 A 74 74 GLU H H 74 8.473 8.040 0.433 1
1 918 . 6 1 1 A 74 74 GLU HA H 74 3.954 4.349 -0.395 1
1 923 . 6 1 1 A 74 74 GLU C C 74 175.719 179.106 -3.387 1
1 924 . 6 1 1 A 74 74 GLU CA C 74 60.093 59.205 0.888 1
1 925 . 6 1 1 A 74 74 GLU CB C 74 30.460 29.604 0.856 1
1 927 . 6 1 1 A 74 74 GLU N N 74 124.825 120.122 4.703 1
1 928 . 6 1 1 A 75 75 ILE H H 75 8.273 8.320 -0.047 1
1 929 . 6 1 1 A 75 75 ILE HA H 75 3.229 3.644 -0.415 1
1 939 . 6 1 1 A 75 75 ILE C C 75 174.591 177.890 -3.299 1
1 940 . 6 1 1 A 75 75 ILE CA C 75 66.460 65.396 1.064 1
1 941 . 6 1 1 A 75 75 ILE CB C 75 38.262 37.679 0.583 1
1 945 . 6 1 1 A 75 75 ILE N N 75 120.282 120.022 0.260 1
1 946 . 6 1 1 A 76 76 PHE H H 76 7.233 8.284 -1.051 1
1 947 . 6 1 1 A 76 76 PHE HA H 76 3.600 3.991 -0.391 1
1 955 . 6 1 1 A 76 76 PHE C C 76 175.036 178.023 -2.987 1
1 956 . 6 1 1 A 76 76 PHE CA C 76 62.227 61.329 0.898 1
1 957 . 6 1 1 A 76 76 PHE CB C 76 40.170 39.590 0.580 1
1 963 . 6 1 1 A 76 76 PHE N N 76 117.265 120.025 -2.760 1
1 964 . 6 1 1 A 77 77 GLN H H 77 8.262 8.272 -0.010 1
1 965 . 6 1 1 A 77 77 GLN HA H 77 3.753 3.795 -0.042 1
1 972 . 6 1 1 A 77 77 GLN C C 77 176.132 178.984 -2.852 1
1 973 . 6 1 1 A 77 77 GLN CA C 77 59.113 59.505 -0.392 1
1 974 . 6 1 1 A 77 77 GLN CB C 77 28.487 28.601 -0.114 1
1 976 . 6 1 1 A 77 77 GLN N N 77 118.919 118.308 0.611 1
1 978 . 6 1 1 A 78 78 LYS H H 78 8.508 7.941 0.567 1
1 979 . 6 1 1 A 78 78 LYS HA H 78 3.804 4.097 -0.293 1
1 988 . 6 1 1 A 78 78 LYS C C 78 177.438 179.384 -1.946 1
1 989 . 6 1 1 A 78 78 LYS CA C 78 60.107 59.316 0.791 1
1 990 . 6 1 1 A 78 78 LYS CB C 78 33.160 32.628 0.532 1
1 994 . 6 1 1 A 78 78 LYS N N 78 119.345 119.420 -0.075 1
1 995 . 6 1 1 A 79 79 ILE H H 79 8.395 7.897 0.498 1
1 996 . 6 1 1 A 79 79 ILE HA H 79 3.182 3.672 -0.490 1
1 1006 . 6 1 1 A 79 79 ILE C C 79 174.721 176.832 -2.111 1
1 1007 . 6 1 1 A 79 79 ILE CA C 79 66.280 65.123 1.157 1
1 1008 . 6 1 1 A 79 79 ILE CB C 79 38.360 37.464 0.896 1
1 1012 . 6 1 1 A 79 79 ILE N N 79 120.117 120.658 -0.541 1
1 1013 . 6 1 1 A 80 80 SER H H 80 7.459 7.621 -0.162 1
1 1014 . 6 1 1 A 80 80 SER HA H 80 3.868 4.252 -0.384 1
1 1017 . 6 1 1 A 80 80 SER C C 80 171.998 175.055 -3.057 1
1 1018 . 6 1 1 A 80 80 SER CA C 80 61.444 59.924 1.520 1
1 1019 . 6 1 1 A 80 80 SER CB C 80 63.500 63.081 0.419 1
1 1020 . 6 1 1 A 80 80 SER N N 80 110.857 115.120 -4.263 1
1 1021 . 6 1 1 A 81 81 GLN H H 81 7.095 7.891 -0.796 1
1 1022 . 6 1 1 A 81 81 GLN HA H 81 4.143 4.236 -0.093 1
1 1029 . 6 1 1 A 81 81 GLN C C 81 173.743 176.717 -2.974 1
1 1030 . 6 1 1 A 81 81 GLN CA C 81 55.894 57.186 -1.292 1
1 1031 . 6 1 1 A 81 81 GLN CB C 81 29.390 28.124 1.266 1
1 1033 . 6 1 1 A 81 81 GLN N N 81 117.056 121.042 -3.986 1
1 1035 . 6 1 1 A 82 82 LEU H H 82 7.495 7.548 -0.053 1
1 1036 . 6 1 1 A 82 82 LEU HA H 82 4.064 4.162 -0.098 1
1 1046 . 6 1 1 A 82 82 LEU C C 82 175.685 176.669 -0.984 1
1 1047 . 6 1 1 A 82 82 LEU CA C 82 55.730 55.396 0.334 1
1 1048 . 6 1 1 A 82 82 LEU CB C 82 41.740 42.725 -0.985 1
1 1052 . 6 1 1 A 82 82 LEU N N 82 123.191 118.816 4.375 1
1 1053 . 6 1 1 A 83 83 ASP H H 83 8.330 7.831 0.499 1
1 1054 . 6 1 1 A 83 83 ASP HA H 83 4.260 4.551 -0.291 1
1 1057 . 6 1 1 A 83 83 ASP C C 83 174.543 176.578 -2.035 1
1 1058 . 6 1 1 A 83 83 ASP CA C 83 57.056 55.904 1.152 1
1 1059 . 6 1 1 A 83 83 ASP CB C 83 41.590 40.642 0.948 1
1 1060 . 6 1 1 A 83 83 ASP N N 83 122.600 118.892 3.708 1
1 1061 . 6 1 1 A 84 84 LYS H H 84 8.152 8.467 -0.315 1
1 1062 . 6 1 1 A 84 84 LYS HA H 84 4.060 4.280 -0.220 1
1 1071 . 6 1 1 A 84 84 LYS C C 84 172.461 175.650 -3.189 1
1 1072 . 6 1 1 A 84 84 LYS CA C 84 57.301 57.626 -0.325 1
1 1073 . 6 1 1 A 84 84 LYS CB C 84 31.140 31.664 -0.524 1
1 1077 . 6 1 1 A 84 84 LYS N N 84 113.797 114.845 -1.048 1
1 1078 . 6 1 1 A 85 85 VAL H H 85 7.290 7.551 -0.261 1
1 1079 . 6 1 1 A 85 85 VAL HA H 85 4.230 4.503 -0.273 1
1 1087 . 6 1 1 A 85 85 VAL C C 85 173.934 176.044 -2.110 1
1 1088 . 6 1 1 A 85 85 VAL CA C 85 63.300 60.152 3.148 1
1 1089 . 6 1 1 A 85 85 VAL CB C 85 32.320 34.017 -1.697 1
1 1092 . 6 1 1 A 85 85 VAL N N 85 118.733 119.345 -0.612 1
1 1093 . 6 1 1 A 86 86 VAL H H 86 9.093 8.989 0.104 1
1 1094 . 6 1 1 A 86 86 VAL HA H 86 4.165 4.389 -0.224 1
1 1102 . 6 1 1 A 86 86 VAL C C 86 173.235 175.724 -2.489 1
1 1103 . 6 1 1 A 86 86 VAL CA C 86 62.144 62.479 -0.335 1
1 1104 . 6 1 1 A 86 86 VAL CB C 86 33.397 33.060 0.337 1
1 1107 . 6 1 1 A 86 86 VAL N N 86 125.341 123.868 1.473 1
1 1108 . 6 1 1 A 87 87 GLN H H 87 7.727 7.548 0.179 1
1 1109 . 6 1 1 A 87 87 GLN HA H 87 4.437 4.972 -0.535 1
1 1114 . 6 1 1 A 87 87 GLN C C 87 170.954 174.148 -3.194 1
1 1115 . 6 1 1 A 87 87 GLN CA C 87 56.370 55.053 1.317 1
1 1116 . 6 1 1 A 87 87 GLN CB C 87 32.420 32.126 0.294 1
1 1118 . 6 1 1 A 87 87 GLN N N 87 119.469 120.103 -0.634 1
1 1119 . 6 1 1 A 88 88 THR H H 88 8.087 8.935 -0.848 1
1 1120 . 6 1 1 A 88 88 THR HA H 88 4.857 5.524 -0.667 1
1 1125 . 6 1 1 A 88 88 THR CA C 88 61.850 60.514 1.336 1
1 1126 . 6 1 1 A 88 88 THR CB C 88 69.900 70.734 -0.834 1
1 1128 . 6 1 1 A 88 88 THR N N 88 119.679 116.418 3.261 1
1 1129 . 6 1 1 A 89 89 LEU HA H 89 4.851 5.184 -0.333 1
1 1139 . 6 1 1 A 89 89 LEU C C 89 174.211 178.351 -4.140 1
1 1140 . 6 1 1 A 89 89 LEU CA C 89 54.590 53.577 1.013 1
1 1141 . 6 1 1 A 89 89 LEU CB C 89 44.176 44.148 0.028 1
1 1145 . 6 1 1 A 90 90 GLY H H 90 8.697 8.859 -0.162 1
1 1146 . 6 1 1 A 90 90 GLY HA2 H 90 4.181 3.968 0.213 1
1 1147 . 6 1 1 A 90 90 GLY HA3 H 90 4.267 4.147 0.120 1
1 1148 . 6 1 1 A 90 90 GLY C C 90 170.516 174.190 -3.674 1
1 1149 . 6 1 1 A 90 90 GLY CA C 90 45.810 47.002 -1.192 1
1 1150 . 6 1 1 A 90 90 GLY N N 90 109.859 113.122 -3.263 1
1 1 . 7 1 1 A 2 2 GLY HA2 H 2 3.721 4.119 -0.398 1
1 2 . 7 1 1 A 2 2 GLY HA3 H 2 3.721 4.142 -0.421 1
1 3 . 7 1 1 A 2 2 GLY CA C 2 43.440 45.789 -2.349 1
1 4 . 7 1 1 A 3 3 HIS HA H 3 4.602 4.891 -0.289 1
1 9 . 7 1 1 A 3 3 HIS C C 3 172.383 175.186 -2.803 1
1 10 . 7 1 1 A 3 3 HIS CA C 3 56.270 56.215 0.055 1
1 11 . 7 1 1 A 3 3 HIS CB C 3 30.850 31.125 -0.275 1
1 14 . 7 1 1 A 4 4 MET H H 4 8.397 8.961 -0.564 1
1 15 . 7 1 1 A 4 4 MET HA H 4 4.720 4.779 -0.059 1
1 23 . 7 1 1 A 4 4 MET CA C 4 53.410 54.405 -0.995 1
1 24 . 7 1 1 A 4 4 MET CB C 4 32.550 32.308 0.242 1
1 27 . 7 1 1 A 4 4 MET N N 4 123.715 122.091 1.624 1
1 28 . 7 1 1 A 5 5 PRO HA H 5 4.340 4.318 0.022 1
1 35 . 7 1 1 A 5 5 PRO C C 5 174.369 176.918 -2.549 1
1 36 . 7 1 1 A 5 5 PRO CA C 5 63.686 64.931 -1.245 1
1 37 . 7 1 1 A 5 5 PRO CB C 5 32.430 31.825 0.605 1
1 40 . 7 1 1 A 6 6 SER H H 6 8.337 7.761 0.576 1
1 41 . 7 1 1 A 6 6 SER HA H 6 4.299 4.771 -0.472 1
1 44 . 7 1 1 A 6 6 SER C C 6 171.770 173.396 -1.626 1
1 45 . 7 1 1 A 6 6 SER CA C 6 58.800 57.047 1.753 1
1 46 . 7 1 1 A 6 6 SER CB C 6 63.896 64.716 -0.820 1
1 47 . 7 1 1 A 6 6 SER N N 6 115.479 111.181 4.298 1
1 48 . 7 1 1 A 7 7 ASP H H 7 8.269 8.541 -0.272 1
1 49 . 7 1 1 A 7 7 ASP HA H 7 4.545 5.008 -0.463 1
1 52 . 7 1 1 A 7 7 ASP C C 7 173.646 175.874 -2.228 1
1 53 . 7 1 1 A 7 7 ASP CA C 7 54.571 54.055 0.516 1
1 54 . 7 1 1 A 7 7 ASP CB C 7 41.353 41.491 -0.138 1
1 55 . 7 1 1 A 7 7 ASP N N 7 122.367 128.744 -6.377 1
1 56 . 7 1 1 A 8 8 SER H H 8 8.126 7.628 0.498 1
1 57 . 7 1 1 A 8 8 SER HA H 8 4.337 4.371 -0.034 1
1 60 . 7 1 1 A 8 8 SER C C 8 171.792 174.230 -2.438 1
1 61 . 7 1 1 A 8 8 SER CA C 8 58.950 59.340 -0.390 1
1 62 . 7 1 1 A 8 8 SER CB C 8 64.140 63.977 0.163 1
1 63 . 7 1 1 A 8 8 SER N N 8 116.038 116.907 -0.869 1
1 64 . 7 1 1 A 9 9 LYS H H 9 8.400 8.372 0.028 1
1 65 . 7 1 1 A 9 9 LYS HA H 9 4.225 4.440 -0.215 1
1 74 . 7 1 1 A 9 9 LYS C C 9 173.626 176.508 -2.882 1
1 75 . 7 1 1 A 9 9 LYS CA C 9 56.391 55.580 0.811 1
1 76 . 7 1 1 A 9 9 LYS CB C 9 32.970 33.754 -0.784 1
1 80 . 7 1 1 A 9 9 LYS N N 9 122.400 124.721 -2.321 1
1 81 . 7 1 1 A 10 10 LYS H H 10 8.180 8.529 -0.349 1
1 82 . 7 1 1 A 10 10 LYS HA H 10 4.493 4.666 -0.173 1
1 91 . 7 1 1 A 10 10 LYS CA C 10 54.500 53.952 0.548 1
1 92 . 7 1 1 A 10 10 LYS CB C 10 32.750 31.777 0.973 1
1 96 . 7 1 1 A 10 10 LYS N N 10 123.900 121.464 2.436 1
1 97 . 7 1 1 A 11 11 PRO HA H 11 4.404 4.744 -0.340 1
1 104 . 7 1 1 A 11 11 PRO C C 11 174.099 176.254 -2.155 1
1 105 . 7 1 1 A 11 11 PRO CA C 11 63.451 62.604 0.847 1
1 106 . 7 1 1 A 11 11 PRO CB C 11 32.405 31.610 0.795 1
1 109 . 7 1 1 A 12 12 THR H H 12 8.277 8.513 -0.236 1
1 110 . 7 1 1 A 12 12 THR HA H 12 4.156 4.537 -0.381 1
1 115 . 7 1 1 A 12 12 THR C C 12 171.255 174.135 -2.880 1
1 116 . 7 1 1 A 12 12 THR CA C 12 62.829 62.597 0.232 1
1 117 . 7 1 1 A 12 12 THR CB C 12 70.113 69.073 1.040 1
1 119 . 7 1 1 A 12 12 THR N N 12 116.775 118.973 -2.198 1
1 120 . 7 1 1 A 13 13 ILE H H 13 8.141 8.886 -0.745 1
1 121 . 7 1 1 A 13 13 ILE HA H 13 3.880 4.445 -0.565 1
1 131 . 7 1 1 A 13 13 ILE C C 13 171.936 175.453 -3.517 1
1 132 . 7 1 1 A 13 13 ILE CA C 13 61.000 60.484 0.516 1
1 133 . 7 1 1 A 13 13 ILE CB C 13 38.957 37.506 1.451 1
1 137 . 7 1 1 A 13 13 ILE N N 13 126.554 128.094 -1.540 1
1 138 . 7 1 1 A 14 14 ILE H H 14 7.890 8.934 -1.044 1
1 139 . 7 1 1 A 14 14 ILE HA H 14 4.045 4.695 -0.650 1
1 149 . 7 1 1 A 14 14 ILE C C 14 171.624 175.102 -3.478 1
1 150 . 7 1 1 A 14 14 ILE CA C 14 60.132 60.402 -0.270 1
1 151 . 7 1 1 A 14 14 ILE CB C 14 38.760 37.898 0.862 1
1 155 . 7 1 1 A 14 14 ILE N N 14 127.503 128.988 -1.485 1
1 156 . 7 1 1 A 15 15 TYR H H 15 8.185 9.102 -0.917 1
1 165 . 7 1 1 A 15 15 TYR N N 15 123.664 127.876 -4.212 1
1 166 . 7 1 1 A 16 16 PRO HA H 16 5.087 5.306 -0.219 1
1 173 . 7 1 1 A 16 16 PRO C C 16 172.702 175.006 -2.304 1
1 174 . 7 1 1 A 16 16 PRO CA C 16 62.891 62.608 0.283 1
1 175 . 7 1 1 A 16 16 PRO CB C 16 36.288 33.125 3.163 1
1 178 . 7 1 1 A 17 17 CYS H H 17 8.579 8.805 -0.226 1
1 179 . 7 1 1 A 17 17 CYS HA H 17 4.924 4.928 -0.004 1
1 182 . 7 1 1 A 17 17 CYS C C 17 169.725 173.695 -3.970 1
1 183 . 7 1 1 A 17 17 CYS CA C 17 55.925 58.256 -2.331 1
1 184 . 7 1 1 A 17 17 CYS CB C 17 31.200 31.477 -0.277 1
1 185 . 7 1 1 A 17 17 CYS N N 17 114.797 119.374 -4.577 1
1 186 . 7 1 1 A 18 18 LEU H H 18 8.449 8.461 -0.012 1
1 187 . 7 1 1 A 18 18 LEU HA H 18 4.336 4.622 -0.286 1
1 197 . 7 1 1 A 18 18 LEU C C 18 172.529 176.173 -3.644 1
1 198 . 7 1 1 A 18 18 LEU CA C 18 55.600 55.045 0.555 1
1 199 . 7 1 1 A 18 18 LEU CB C 18 42.550 42.584 -0.034 1
1 203 . 7 1 1 A 18 18 LEU N N 18 122.242 123.913 -1.671 1
1 204 . 7 1 1 A 19 19 TRP H H 19 9.079 9.221 -0.142 1
1 205 . 7 1 1 A 19 19 TRP HA H 19 4.300 5.338 -1.038 1
1 214 . 7 1 1 A 19 19 TRP C C 19 170.195 173.821 -3.626 1
1 215 . 7 1 1 A 19 19 TRP CA C 19 56.750 55.523 1.227 1
1 216 . 7 1 1 A 19 19 TRP CB C 19 33.935 33.073 0.862 1
1 222 . 7 1 1 A 19 19 TRP N N 19 130.082 126.648 3.434 1
1 224 . 7 1 1 A 20 20 ASP H H 20 6.314 8.506 -2.192 1
1 225 . 7 1 1 A 20 20 ASP HA H 20 5.559 5.482 0.077 1
1 228 . 7 1 1 A 20 20 ASP C C 20 172.285 174.822 -2.537 1
1 229 . 7 1 1 A 20 20 ASP CA C 20 52.900 53.348 -0.448 1
1 230 . 7 1 1 A 20 20 ASP CB C 20 43.450 42.612 0.838 1
1 231 . 7 1 1 A 20 20 ASP N N 20 122.801 126.237 -3.436 1
1 232 . 7 1 1 A 21 21 TYR H H 21 9.519 9.714 -0.195 1
1 233 . 7 1 1 A 21 21 TYR HA H 21 4.975 5.358 -0.383 1
1 240 . 7 1 1 A 21 21 TYR C C 21 172.202 174.812 -2.610 1
1 241 . 7 1 1 A 21 21 TYR CA C 21 56.910 56.712 0.198 1
1 242 . 7 1 1 A 21 21 TYR CB C 21 40.850 40.862 -0.012 1
1 247 . 7 1 1 A 21 21 TYR N N 21 120.749 122.142 -1.393 1
1 248 . 7 1 1 A 22 22 ARG H H 22 8.758 8.987 -0.229 1
1 249 . 7 1 1 A 22 22 ARG HA H 22 5.189 4.737 0.452 1
1 256 . 7 1 1 A 22 22 ARG C C 22 172.210 175.336 -3.126 1
1 257 . 7 1 1 A 22 22 ARG CA C 22 55.180 56.300 -1.120 1
1 258 . 7 1 1 A 22 22 ARG CB C 22 31.360 30.799 0.561 1
1 261 . 7 1 1 A 22 22 ARG N N 22 124.405 125.612 -1.207 1
1 262 . 7 1 1 A 23 23 VAL H H 23 9.170 9.328 -0.158 1
1 263 . 7 1 1 A 23 23 VAL HA H 23 4.591 4.731 -0.140 1
1 271 . 7 1 1 A 23 23 VAL C C 23 171.354 174.955 -3.601 1
1 272 . 7 1 1 A 23 23 VAL CA C 23 61.836 61.599 0.237 1
1 273 . 7 1 1 A 23 23 VAL CB C 23 35.725 33.442 2.283 1
1 276 . 7 1 1 A 23 23 VAL N N 23 125.900 127.372 -1.472 1
1 277 . 7 1 1 A 24 24 ILE H H 24 8.919 9.331 -0.412 1
1 278 . 7 1 1 A 24 24 ILE HA H 24 5.119 5.294 -0.175 1
1 288 . 7 1 1 A 24 24 ILE C C 24 173.492 175.454 -1.962 1
1 289 . 7 1 1 A 24 24 ILE CA C 24 60.567 60.270 0.297 1
1 290 . 7 1 1 A 24 24 ILE CB C 24 38.346 38.997 -0.651 1
1 294 . 7 1 1 A 24 24 ILE N N 24 127.789 129.176 -1.387 1
1 295 . 7 1 1 A 25 25 MET H H 25 9.857 9.045 0.812 1
1 296 . 7 1 1 A 25 25 MET HA H 25 6.017 5.187 0.830 1
1 304 . 7 1 1 A 25 25 MET C C 25 174.379 176.717 -2.338 1
1 305 . 7 1 1 A 25 25 MET CA C 25 54.898 54.227 0.671 1
1 306 . 7 1 1 A 25 25 MET CB C 25 40.260 36.514 3.746 1
1 309 . 7 1 1 A 25 25 MET N N 25 124.403 126.390 -1.987 1
1 310 . 7 1 1 A 26 26 THR H H 26 8.843 8.582 0.261 1
1 311 . 7 1 1 A 26 26 THR HA H 26 4.875 4.617 0.258 1
1 316 . 7 1 1 A 26 26 THR C C 26 170.849 174.123 -3.274 1
1 317 . 7 1 1 A 26 26 THR CA C 26 61.826 61.983 -0.157 1
1 318 . 7 1 1 A 26 26 THR CB C 26 68.846 68.809 0.037 1
1 320 . 7 1 1 A 26 26 THR N N 26 108.669 112.729 -4.060 1
1 321 . 7 1 1 A 27 27 THR H H 27 7.342 7.842 -0.500 1
1 322 . 7 1 1 A 27 27 THR HA H 27 4.618 4.918 -0.300 1
1 327 . 7 1 1 A 27 27 THR C C 27 166.898 173.470 -6.572 1
1 328 . 7 1 1 A 27 27 THR CA C 27 58.657 60.207 -1.550 1
1 329 . 7 1 1 A 27 27 THR CB C 27 69.696 71.120 -1.424 1
1 331 . 7 1 1 A 27 27 THR N N 27 114.866 114.954 -0.088 1
1 332 . 7 1 1 A 28 28 LYS H H 28 7.638 8.672 -1.034 1
1 333 . 7 1 1 A 28 28 LYS HA H 28 3.991 4.383 -0.392 1
1 342 . 7 1 1 A 28 28 LYS C C 28 173.190 177.001 -3.811 1
1 343 . 7 1 1 A 28 28 LYS CA C 28 55.731 57.346 -1.615 1
1 344 . 7 1 1 A 28 28 LYS CB C 28 32.790 32.236 0.554 1
1 348 . 7 1 1 A 28 28 LYS N N 28 121.283 125.651 -4.368 1
1 349 . 7 1 1 A 29 29 ASP H H 29 8.184 7.754 0.430 1
1 350 . 7 1 1 A 29 29 ASP HA H 29 4.401 4.586 -0.185 1
1 353 . 7 1 1 A 29 29 ASP C C 29 173.830 174.696 -0.866 1
1 354 . 7 1 1 A 29 29 ASP CA C 29 53.979 53.193 0.786 1
1 355 . 7 1 1 A 29 29 ASP CB C 29 40.730 39.778 0.952 1
1 356 . 7 1 1 A 29 29 ASP N N 29 120.231 121.636 -1.405 1
1 357 . 7 1 1 A 30 30 THR H H 30 7.830 8.605 -0.775 1
1 358 . 7 1 1 A 30 30 THR HA H 30 3.742 4.653 -0.911 1
1 363 . 7 1 1 A 30 30 THR C C 30 172.987 173.834 -0.847 1
1 364 . 7 1 1 A 30 30 THR CA C 30 61.299 60.249 1.050 1
1 365 . 7 1 1 A 30 30 THR CB C 30 69.294 68.080 1.214 1
1 367 . 7 1 1 A 30 30 THR N N 30 115.459 120.872 -5.413 1
1 368 . 7 1 1 A 31 31 SER H H 31 8.561 8.338 0.223 1
1 369 . 7 1 1 A 31 31 SER HA H 31 3.875 4.558 -0.683 1
1 372 . 7 1 1 A 31 31 SER CA C 31 63.520 58.651 4.869 1
1 373 . 7 1 1 A 31 31 SER CB C 31 62.332 64.001 -1.669 1
1 374 . 7 1 1 A 31 31 SER N N 31 119.763 122.058 -2.295 1
1 375 . 7 1 1 A 32 32 THR HA H 32 3.961 3.924 0.037 1
1 380 . 7 1 1 A 32 32 THR C C 32 173.850 176.215 -2.365 1
1 381 . 7 1 1 A 32 32 THR CA C 32 65.447 66.867 -1.420 1
1 382 . 7 1 1 A 32 32 THR CB C 32 68.715 68.660 0.055 1
1 384 . 7 1 1 A 33 33 LEU H H 33 7.209 8.028 -0.819 1
1 385 . 7 1 1 A 33 33 LEU HA H 33 3.950 3.891 0.059 1
1 395 . 7 1 1 A 33 33 LEU C C 33 174.505 178.553 -4.048 1
1 396 . 7 1 1 A 33 33 LEU CA C 33 57.653 58.392 -0.739 1
1 397 . 7 1 1 A 33 33 LEU CB C 33 42.210 41.627 0.583 1
1 401 . 7 1 1 A 33 33 LEU N N 33 125.158 121.634 3.524 1
1 402 . 7 1 1 A 34 34 LYS H H 34 8.671 7.779 0.892 1
1 403 . 7 1 1 A 34 34 LYS HA H 34 3.552 3.720 -0.168 1
1 412 . 7 1 1 A 34 34 LYS C C 34 174.794 179.225 -4.431 1
1 413 . 7 1 1 A 34 34 LYS CA C 34 61.226 59.607 1.619 1
1 414 . 7 1 1 A 34 34 LYS CB C 34 32.880 32.236 0.644 1
1 418 . 7 1 1 A 34 34 LYS N N 34 119.112 118.474 0.638 1
1 419 . 7 1 1 A 35 35 GLU H H 35 7.813 8.251 -0.438 1
1 420 . 7 1 1 A 35 35 GLU HA H 35 3.863 4.030 -0.167 1
1 425 . 7 1 1 A 35 35 GLU C C 35 176.222 179.093 -2.871 1
1 426 . 7 1 1 A 35 35 GLU CA C 35 59.721 59.038 0.683 1
1 427 . 7 1 1 A 35 35 GLU CB C 35 29.898 29.224 0.674 1
1 429 . 7 1 1 A 35 35 GLU N N 35 116.554 120.209 -3.655 1
1 430 . 7 1 1 A 36 36 LEU H H 36 7.153 7.533 -0.380 1
1 431 . 7 1 1 A 36 36 LEU HA H 36 4.175 3.971 0.204 1
1 441 . 7 1 1 A 36 36 LEU C C 36 177.281 178.891 -1.610 1
1 442 . 7 1 1 A 36 36 LEU CA C 36 58.018 57.904 0.114 1
1 443 . 7 1 1 A 36 36 LEU CB C 36 41.720 41.154 0.566 1
1 447 . 7 1 1 A 36 36 LEU N N 36 119.071 118.830 0.241 1
1 448 . 7 1 1 A 37 37 LEU H H 37 8.245 7.945 0.300 1
1 449 . 7 1 1 A 37 37 LEU HA H 37 3.749 3.925 -0.176 1
1 459 . 7 1 1 A 37 37 LEU C C 37 177.903 179.633 -1.730 1
1 460 . 7 1 1 A 37 37 LEU CA C 37 58.278 58.004 0.274 1
1 461 . 7 1 1 A 37 37 LEU CB C 37 39.600 40.427 -0.827 1
1 465 . 7 1 1 A 37 37 LEU N N 37 121.326 118.958 2.368 1
1 466 . 7 1 1 A 38 38 GLU H H 38 8.641 8.412 0.229 1
1 467 . 7 1 1 A 38 38 GLU HA H 38 4.320 4.239 0.081 1
1 472 . 7 1 1 A 38 38 GLU C C 38 177.074 179.280 -2.206 1
1 473 . 7 1 1 A 38 38 GLU CA C 38 59.619 59.514 0.105 1
1 474 . 7 1 1 A 38 38 GLU CB C 38 29.850 29.421 0.429 1
1 476 . 7 1 1 A 38 38 GLU N N 38 119.504 118.555 0.949 1
1 477 . 7 1 1 A 39 39 THR H H 39 7.653 7.754 -0.101 1
1 478 . 7 1 1 A 39 39 THR HA H 39 4.097 4.140 -0.043 1
1 483 . 7 1 1 A 39 39 THR C C 39 173.229 175.220 -1.991 1
1 484 . 7 1 1 A 39 39 THR CA C 39 65.080 64.748 0.332 1
1 485 . 7 1 1 A 39 39 THR CB C 39 69.952 68.412 1.540 1
1 487 . 7 1 1 A 39 39 THR N N 39 110.838 113.317 -2.479 1
1 488 . 7 1 1 A 40 40 TYR H H 40 7.478 7.714 -0.236 1
1 489 . 7 1 1 A 40 40 TYR HA H 40 4.073 4.661 -0.588 1
1 496 . 7 1 1 A 40 40 TYR C C 40 172.486 175.159 -2.673 1
1 497 . 7 1 1 A 40 40 TYR CA C 40 61.549 57.368 4.181 1
1 498 . 7 1 1 A 40 40 TYR CB C 40 37.140 38.594 -1.454 1
1 503 . 7 1 1 A 40 40 TYR N N 40 118.654 120.285 -1.631 1
1 504 . 7 1 1 A 41 41 GLN H H 41 7.901 8.139 -0.238 1
1 505 . 7 1 1 A 41 41 GLN HA H 41 3.963 4.050 -0.087 1
1 512 . 7 1 1 A 41 41 GLN C C 41 171.223 174.204 -2.981 1
1 513 . 7 1 1 A 41 41 GLN CA C 41 57.158 57.394 -0.236 1
1 514 . 7 1 1 A 41 41 GLN CB C 41 27.330 26.583 0.747 1
1 516 . 7 1 1 A 41 41 GLN N N 41 116.315 116.134 0.181 1
1 518 . 7 1 1 A 42 42 ARG H H 42 8.493 7.982 0.511 1
1 519 . 7 1 1 A 42 42 ARG HA H 42 5.052 4.832 0.220 1
1 527 . 7 1 1 A 42 42 ARG CA C 42 54.040 53.928 0.112 1
1 528 . 7 1 1 A 42 42 ARG CB C 42 30.650 31.297 -0.647 1
1 531 . 7 1 1 A 42 42 ARG N N 42 115.494 117.715 -2.221 1
1 533 . 7 1 1 A 43 43 PRO HA H 43 4.390 4.926 -0.536 1
1 540 . 7 1 1 A 43 43 PRO C C 43 172.836 176.748 -3.912 1
1 541 . 7 1 1 A 43 43 PRO CA C 43 63.574 62.492 1.082 1
1 542 . 7 1 1 A 43 43 PRO CB C 43 32.500 32.864 -0.364 1
1 545 . 7 1 1 A 44 44 PHE H H 44 7.742 8.662 -0.920 1
1 546 . 7 1 1 A 44 44 PHE HA H 44 5.281 5.308 -0.027 1
1 554 . 7 1 1 A 44 44 PHE C C 44 170.840 172.389 -1.549 1
1 555 . 7 1 1 A 44 44 PHE CA C 44 56.174 55.706 0.468 1
1 556 . 7 1 1 A 44 44 PHE CB C 44 42.280 42.356 -0.076 1
1 562 . 7 1 1 A 44 44 PHE N N 44 115.046 118.634 -3.588 1
1 563 . 7 1 1 A 45 45 LYS H H 45 8.944 9.295 -0.351 1
1 564 . 7 1 1 A 45 45 LYS HA H 45 4.641 4.796 -0.155 1
1 573 . 7 1 1 A 45 45 LYS C C 45 171.934 174.831 -2.897 1
1 574 . 7 1 1 A 45 45 LYS CA C 45 55.210 55.122 0.088 1
1 575 . 7 1 1 A 45 45 LYS CB C 45 35.600 34.041 1.559 1
1 579 . 7 1 1 A 45 45 LYS N N 45 121.090 121.242 -0.152 1
1 580 . 7 1 1 A 46 46 LEU H H 46 8.897 8.816 0.081 1
1 581 . 7 1 1 A 46 46 LEU HA H 46 5.332 5.167 0.165 1
1 590 . 7 1 1 A 46 46 LEU C C 46 172.666 174.863 -2.197 1
1 591 . 7 1 1 A 46 46 LEU CA C 46 54.510 54.356 0.154 1
1 592 . 7 1 1 A 46 46 LEU CB C 46 44.620 44.021 0.599 1
1 595 . 7 1 1 A 46 46 LEU N N 46 128.615 129.117 -0.502 1
1 596 . 7 1 1 A 47 47 GLU H H 47 9.220 9.183 0.037 1
1 597 . 7 1 1 A 47 47 GLU HA H 47 4.911 5.110 -0.199 1
1 602 . 7 1 1 A 47 47 GLU C C 47 172.392 174.698 -2.306 1
1 603 . 7 1 1 A 47 47 GLU CA C 47 54.980 54.602 0.378 1
1 604 . 7 1 1 A 47 47 GLU CB C 47 34.490 33.361 1.129 1
1 606 . 7 1 1 A 47 47 GLU N N 47 125.300 125.941 -0.641 1
1 607 . 7 1 1 A 48 48 PHE H H 48 9.157 9.236 -0.079 1
1 608 . 7 1 1 A 48 48 PHE HA H 48 4.302 4.916 -0.614 1
1 616 . 7 1 1 A 48 48 PHE C C 48 171.971 174.246 -2.275 1
1 617 . 7 1 1 A 48 48 PHE CA C 48 58.240 56.969 1.271 1
1 618 . 7 1 1 A 48 48 PHE CB C 48 39.410 39.628 -0.218 1
1 624 . 7 1 1 A 48 48 PHE N N 48 126.911 125.549 1.362 1
1 625 . 7 1 1 A 49 49 LYS H H 49 8.256 8.605 -0.349 1
1 626 . 7 1 1 A 49 49 LYS HA H 49 4.176 4.168 0.008 1
1 635 . 7 1 1 A 49 49 LYS C C 49 172.030 175.950 -3.920 1
1 636 . 7 1 1 A 49 49 LYS CA C 49 55.244 57.893 -2.649 1
1 637 . 7 1 1 A 49 49 LYS CB C 49 32.640 32.876 -0.236 1
1 641 . 7 1 1 A 49 49 LYS N N 49 127.526 127.507 0.019 1
1 642 . 7 1 1 A 50 50 ASN H H 50 7.062 6.789 0.273 1
1 643 . 7 1 1 A 50 50 ASN HA H 50 4.353 4.747 -0.394 1
1 648 . 7 1 1 A 50 50 ASN C C 50 171.278 172.377 -1.099 1
1 649 . 7 1 1 A 50 50 ASN CA C 50 53.807 52.425 1.382 1
1 650 . 7 1 1 A 50 50 ASN CB C 50 40.460 41.435 -0.975 1
1 651 . 7 1 1 A 50 50 ASN N N 50 115.764 112.130 3.634 1
1 653 . 7 1 1 A 51 51 THR H H 51 8.217 8.763 -0.546 1
1 654 . 7 1 1 A 51 51 THR HA H 51 4.685 5.185 -0.500 1
1 659 . 7 1 1 A 51 51 THR C C 51 171.816 173.536 -1.720 1
1 660 . 7 1 1 A 51 51 THR CA C 51 61.243 59.959 1.284 1
1 661 . 7 1 1 A 51 51 THR CB C 51 70.632 71.765 -1.133 1
1 663 . 7 1 1 A 51 51 THR N N 51 114.341 115.947 -1.606 1
1 664 . 7 1 1 A 52 52 SER H H 52 8.314 8.555 -0.241 1
1 665 . 7 1 1 A 52 52 SER HA H 52 4.395 4.477 -0.082 1
1 668 . 7 1 1 A 52 52 SER CA C 52 58.470 58.956 -0.486 1
1 669 . 7 1 1 A 52 52 SER CB C 52 64.580 64.102 0.478 1
1 670 . 7 1 1 A 52 52 SER N N 52 118.503 121.020 -2.517 1
1 671 . 7 1 1 A 54 54 ASN HA H 54 4.484 4.717 -0.233 1
1 676 . 7 1 1 A 54 54 ASN C C 54 171.753 174.621 -2.868 1
1 677 . 7 1 1 A 54 54 ASN CA C 54 53.296 53.211 0.085 1
1 678 . 7 1 1 A 54 54 ASN CB C 54 38.080 38.574 -0.494 1
1 680 . 7 1 1 A 55 55 ALA H H 55 7.927 8.137 -0.210 1
1 681 . 7 1 1 A 55 55 ALA HA H 55 3.759 4.149 -0.390 1
1 685 . 7 1 1 A 55 55 ALA C C 55 173.386 177.004 -3.618 1
1 686 . 7 1 1 A 55 55 ALA CA C 55 53.266 53.319 -0.053 1
1 687 . 7 1 1 A 55 55 ALA CB C 55 18.180 17.899 0.281 1
1 688 . 7 1 1 A 55 55 ALA N N 55 120.429 120.173 0.256 1
1 689 . 7 1 1 A 56 56 LYS H H 56 7.426 7.557 -0.131 1
1 690 . 7 1 1 A 56 56 LYS HA H 56 3.919 3.951 -0.032 1
1 702 . 7 1 1 A 56 56 LYS C C 56 172.612 175.457 -2.845 1
1 703 . 7 1 1 A 56 56 LYS CA C 56 57.113 57.244 -0.131 1
1 704 . 7 1 1 A 56 56 LYS CB C 56 33.566 33.364 0.202 1
1 708 . 7 1 1 A 56 56 LYS N N 56 116.392 116.883 -0.491 1
1 710 . 7 1 1 A 57 57 PHE H H 57 7.253 7.606 -0.353 1
1 711 . 7 1 1 A 57 57 PHE HA H 57 5.062 5.052 0.010 1
1 719 . 7 1 1 A 57 57 PHE C C 57 171.527 173.966 -2.439 1
1 720 . 7 1 1 A 57 57 PHE CA C 57 54.920 56.090 -1.170 1
1 721 . 7 1 1 A 57 57 PHE CB C 57 41.910 41.734 0.176 1
1 727 . 7 1 1 A 57 57 PHE N N 57 113.835 116.354 -2.519 1
1 728 . 7 1 1 A 58 58 TYR H H 58 9.172 9.461 -0.289 1
1 729 . 7 1 1 A 58 58 TYR HA H 58 4.746 4.998 -0.252 1
1 736 . 7 1 1 A 58 58 TYR C C 58 171.294 174.992 -3.698 1
1 737 . 7 1 1 A 58 58 TYR CA C 58 57.770 56.282 1.488 1
1 738 . 7 1 1 A 58 58 TYR CB C 58 41.784 41.221 0.563 1
1 743 . 7 1 1 A 58 58 TYR N N 58 121.139 122.451 -1.312 1
1 744 . 7 1 1 A 59 59 SER H H 59 8.786 8.837 -0.051 1
1 745 . 7 1 1 A 59 59 SER HA H 59 5.399 4.808 0.591 1
1 748 . 7 1 1 A 59 59 SER C C 59 170.105 173.466 -3.361 1
1 749 . 7 1 1 A 59 59 SER CA C 59 57.650 58.136 -0.486 1
1 750 . 7 1 1 A 59 59 SER CB C 59 65.220 63.659 1.561 1
1 751 . 7 1 1 A 59 59 SER N N 59 118.511 120.622 -2.111 1
1 752 . 7 1 1 A 60 60 PHE H H 60 9.389 9.628 -0.239 1
1 753 . 7 1 1 A 60 60 PHE HA H 60 5.210 5.385 -0.175 1
1 761 . 7 1 1 A 60 60 PHE C C 60 172.188 174.428 -2.240 1
1 762 . 7 1 1 A 60 60 PHE CA C 60 56.824 56.555 0.269 1
1 763 . 7 1 1 A 60 60 PHE CB C 60 43.645 41.730 1.915 1
1 769 . 7 1 1 A 60 60 PHE N N 60 121.864 126.251 -4.387 1
1 770 . 7 1 1 A 61 61 ASN H H 61 9.448 9.289 0.159 1
1 771 . 7 1 1 A 61 61 ASN HA H 61 5.564 5.793 -0.229 1
1 776 . 7 1 1 A 61 61 ASN C C 61 171.756 173.834 -2.078 1
1 777 . 7 1 1 A 61 61 ASN CA C 61 53.012 51.933 1.079 1
1 778 . 7 1 1 A 61 61 ASN CB C 61 42.580 41.953 0.627 1
1 779 . 7 1 1 A 61 61 ASN N N 61 121.107 119.424 1.683 1
1 781 . 7 1 1 A 62 62 VAL H H 62 9.361 9.499 -0.138 1
1 782 . 7 1 1 A 62 62 VAL HA H 62 5.159 5.127 0.032 1
1 790 . 7 1 1 A 62 62 VAL C C 62 171.964 174.850 -2.886 1
1 791 . 7 1 1 A 62 62 VAL CA C 62 60.991 61.327 -0.336 1
1 792 . 7 1 1 A 62 62 VAL CB C 62 35.350 33.372 1.978 1
1 795 . 7 1 1 A 62 62 VAL N N 62 126.781 126.834 -0.053 1
1 796 . 7 1 1 A 63 63 SER H H 63 8.750 9.182 -0.432 1
1 797 . 7 1 1 A 63 63 SER HA H 63 5.955 5.559 0.396 1
1 800 . 7 1 1 A 63 63 SER C C 63 171.905 173.590 -1.685 1
1 801 . 7 1 1 A 63 63 SER CA C 63 56.587 58.112 -1.525 1
1 802 . 7 1 1 A 63 63 SER CB C 63 65.231 63.903 1.328 1
1 803 . 7 1 1 A 63 63 SER N N 63 120.886 125.725 -4.839 1
1 804 . 7 1 1 A 64 64 MET H H 64 8.918 9.063 -0.145 1
1 805 . 7 1 1 A 64 64 MET HA H 64 4.622 5.317 -0.695 1
1 813 . 7 1 1 A 64 64 MET C C 64 170.352 175.119 -4.767 1
1 814 . 7 1 1 A 64 64 MET CA C 64 55.950 53.618 2.332 1
1 815 . 7 1 1 A 64 64 MET CB C 64 38.000 36.237 1.763 1
1 818 . 7 1 1 A 64 64 MET N N 64 123.839 123.513 0.326 1
1 819 . 7 1 1 A 65 65 GLU H H 65 9.213 8.515 0.698 1
1 820 . 7 1 1 A 65 65 GLU HA H 65 4.740 4.773 -0.033 1
1 825 . 7 1 1 A 65 65 GLU C C 65 172.659 176.621 -3.962 1
1 826 . 7 1 1 A 65 65 GLU CA C 65 57.547 56.898 0.649 1
1 827 . 7 1 1 A 65 65 GLU CB C 65 31.100 30.443 0.657 1
1 829 . 7 1 1 A 65 65 GLU N N 65 125.938 119.963 5.975 1
1 830 . 7 1 1 A 66 66 VAL H H 66 9.031 8.802 0.229 1
1 831 . 7 1 1 A 66 66 VAL HA H 66 4.632 4.764 -0.132 1
1 839 . 7 1 1 A 66 66 VAL C C 66 174.252 175.937 -1.685 1
1 840 . 7 1 1 A 66 66 VAL CA C 66 59.454 59.889 -0.435 1
1 841 . 7 1 1 A 66 66 VAL CB C 66 35.450 35.119 0.331 1
1 844 . 7 1 1 A 66 66 VAL N N 66 117.398 117.417 -0.019 1
1 845 . 7 1 1 A 67 67 SER H H 67 9.309 9.020 0.289 1
1 846 . 7 1 1 A 67 67 SER HA H 67 4.185 4.600 -0.415 1
1 849 . 7 1 1 A 67 67 SER C C 67 170.646 174.460 -3.814 1
1 850 . 7 1 1 A 67 67 SER CA C 67 61.719 59.642 2.077 1
1 851 . 7 1 1 A 67 67 SER CB C 67 64.540 64.300 0.240 1
1 852 . 7 1 1 A 67 67 SER N N 67 116.754 117.869 -1.115 1
1 853 . 7 1 1 A 68 68 ASN H H 68 7.279 7.744 -0.465 1
1 854 . 7 1 1 A 68 68 ASN HA H 68 3.345 4.652 -1.307 1
1 859 . 7 1 1 A 68 68 ASN C C 68 170.781 175.128 -4.347 1
1 860 . 7 1 1 A 68 68 ASN CA C 68 51.758 51.643 0.115 1
1 861 . 7 1 1 A 68 68 ASN CB C 68 38.809 40.004 -1.195 1
1 862 . 7 1 1 A 68 68 ASN N N 68 110.062 114.865 -4.803 1
1 864 . 7 1 1 A 69 69 GLU H H 69 8.126 8.331 -0.205 1
1 865 . 7 1 1 A 69 69 GLU HA H 69 3.337 3.611 -0.274 1
1 870 . 7 1 1 A 69 69 GLU C C 69 174.537 178.223 -3.686 1
1 871 . 7 1 1 A 69 69 GLU CA C 69 59.749 58.782 0.967 1
1 872 . 7 1 1 A 69 69 GLU CB C 69 30.250 28.799 1.451 1
1 874 . 7 1 1 A 69 69 GLU N N 69 120.604 119.879 0.725 1
1 875 . 7 1 1 A 70 70 SER H H 70 7.981 7.826 0.155 1
1 876 . 7 1 1 A 70 70 SER HA H 70 4.030 4.043 -0.013 1
1 879 . 7 1 1 A 70 70 SER C C 70 174.715 176.546 -1.831 1
1 880 . 7 1 1 A 70 70 SER CA C 70 62.097 61.721 0.376 1
1 881 . 7 1 1 A 70 70 SER CB C 70 62.350 62.784 -0.434 1
1 882 . 7 1 1 A 70 70 SER N N 70 114.770 117.502 -2.732 1
1 883 . 7 1 1 A 71 71 GLU H H 71 8.572 7.977 0.595 1
1 884 . 7 1 1 A 71 71 GLU HA H 71 3.927 4.015 -0.088 1
1 889 . 7 1 1 A 71 71 GLU C C 71 174.769 179.217 -4.448 1
1 890 . 7 1 1 A 71 71 GLU CA C 71 59.849 59.341 0.508 1
1 891 . 7 1 1 A 71 71 GLU CB C 71 30.950 29.080 1.870 1
1 893 . 7 1 1 A 71 71 GLU N N 71 124.163 122.128 2.035 1
1 894 . 7 1 1 A 72 72 ARG H H 72 7.797 8.213 -0.416 1
1 895 . 7 1 1 A 72 72 ARG HA H 72 3.776 4.605 -0.829 1
1 900 . 7 1 1 A 72 72 ARG C C 72 177.552 177.817 -0.265 1
1 901 . 7 1 1 A 72 72 ARG CA C 72 58.680 57.836 0.844 1
1 902 . 7 1 1 A 72 72 ARG CB C 72 30.110 28.316 1.794 1
1 905 . 7 1 1 A 72 72 ARG N N 72 118.396 118.799 -0.403 1
1 906 . 7 1 1 A 73 73 ASN H H 73 8.175 7.547 0.628 1
1 907 . 7 1 1 A 73 73 ASN HA H 73 4.461 4.689 -0.228 1
1 912 . 7 1 1 A 73 73 ASN C C 73 174.089 177.615 -3.526 1
1 913 . 7 1 1 A 73 73 ASN CA C 73 55.500 54.618 0.882 1
1 914 . 7 1 1 A 73 73 ASN CB C 73 37.844 39.264 -1.420 1
1 915 . 7 1 1 A 73 73 ASN N N 73 118.156 116.937 1.219 1
1 917 . 7 1 1 A 74 74 GLU H H 74 8.473 8.508 -0.035 1
1 918 . 7 1 1 A 74 74 GLU HA H 74 3.954 4.140 -0.186 1
1 923 . 7 1 1 A 74 74 GLU C C 74 175.719 179.208 -3.489 1
1 924 . 7 1 1 A 74 74 GLU CA C 74 60.093 59.345 0.748 1
1 925 . 7 1 1 A 74 74 GLU CB C 74 30.460 29.209 1.251 1
1 927 . 7 1 1 A 74 74 GLU N N 74 124.825 118.326 6.499 1
1 928 . 7 1 1 A 75 75 ILE H H 75 8.273 8.238 0.035 1
1 929 . 7 1 1 A 75 75 ILE HA H 75 3.229 3.639 -0.410 1
1 939 . 7 1 1 A 75 75 ILE C C 75 174.591 177.845 -3.254 1
1 940 . 7 1 1 A 75 75 ILE CA C 75 66.460 65.397 1.063 1
1 941 . 7 1 1 A 75 75 ILE CB C 75 38.262 37.699 0.563 1
1 945 . 7 1 1 A 75 75 ILE N N 75 120.282 121.695 -1.413 1
1 946 . 7 1 1 A 76 76 PHE H H 76 7.233 8.393 -1.160 1
1 947 . 7 1 1 A 76 76 PHE HA H 76 3.600 4.051 -0.451 1
1 955 . 7 1 1 A 76 76 PHE C C 76 175.036 177.821 -2.785 1
1 956 . 7 1 1 A 76 76 PHE CA C 76 62.227 61.255 0.972 1
1 957 . 7 1 1 A 76 76 PHE CB C 76 40.170 39.653 0.517 1
1 963 . 7 1 1 A 76 76 PHE N N 76 117.265 120.012 -2.747 1
1 964 . 7 1 1 A 77 77 GLN H H 77 8.262 8.120 0.142 1
1 965 . 7 1 1 A 77 77 GLN HA H 77 3.753 3.980 -0.227 1
1 972 . 7 1 1 A 77 77 GLN C C 77 176.132 179.001 -2.869 1
1 973 . 7 1 1 A 77 77 GLN CA C 77 59.113 59.297 -0.184 1
1 974 . 7 1 1 A 77 77 GLN CB C 77 28.487 28.346 0.141 1
1 976 . 7 1 1 A 77 77 GLN N N 77 118.919 118.476 0.443 1
1 978 . 7 1 1 A 78 78 LYS H H 78 8.508 7.799 0.709 1
1 979 . 7 1 1 A 78 78 LYS HA H 78 3.804 4.000 -0.196 1
1 988 . 7 1 1 A 78 78 LYS C C 78 177.438 179.637 -2.199 1
1 989 . 7 1 1 A 78 78 LYS CA C 78 60.107 59.404 0.703 1
1 990 . 7 1 1 A 78 78 LYS CB C 78 33.160 32.438 0.722 1
1 994 . 7 1 1 A 78 78 LYS N N 78 119.345 119.730 -0.385 1
1 995 . 7 1 1 A 79 79 ILE H H 79 8.395 8.074 0.321 1
1 996 . 7 1 1 A 79 79 ILE HA H 79 3.182 3.704 -0.522 1
1 1006 . 7 1 1 A 79 79 ILE C C 79 174.721 176.763 -2.042 1
1 1007 . 7 1 1 A 79 79 ILE CA C 79 66.280 64.922 1.358 1
1 1008 . 7 1 1 A 79 79 ILE CB C 79 38.360 37.290 1.070 1
1 1012 . 7 1 1 A 79 79 ILE N N 79 120.117 121.178 -1.061 1
1 1013 . 7 1 1 A 80 80 SER H H 80 7.459 8.053 -0.594 1
1 1014 . 7 1 1 A 80 80 SER HA H 80 3.868 4.361 -0.493 1
1 1017 . 7 1 1 A 80 80 SER C C 80 171.998 174.693 -2.695 1
1 1018 . 7 1 1 A 80 80 SER CA C 80 61.444 59.736 1.708 1
1 1019 . 7 1 1 A 80 80 SER CB C 80 63.500 63.154 0.346 1
1 1020 . 7 1 1 A 80 80 SER N N 80 110.857 117.424 -6.567 1
1 1021 . 7 1 1 A 81 81 GLN H H 81 7.095 7.748 -0.653 1
1 1022 . 7 1 1 A 81 81 GLN HA H 81 4.143 4.353 -0.210 1
1 1029 . 7 1 1 A 81 81 GLN C C 81 173.743 176.999 -3.256 1
1 1030 . 7 1 1 A 81 81 GLN CA C 81 55.894 55.597 0.297 1
1 1031 . 7 1 1 A 81 81 GLN CB C 81 29.390 29.090 0.300 1
1 1033 . 7 1 1 A 81 81 GLN N N 81 117.056 118.900 -1.844 1
1 1035 . 7 1 1 A 82 82 LEU H H 82 7.495 7.589 -0.094 1
1 1036 . 7 1 1 A 82 82 LEU HA H 82 4.064 4.138 -0.074 1
1 1046 . 7 1 1 A 82 82 LEU C C 82 175.685 176.727 -1.042 1
1 1047 . 7 1 1 A 82 82 LEU CA C 82 55.730 55.670 0.060 1
1 1048 . 7 1 1 A 82 82 LEU CB C 82 41.740 42.386 -0.646 1
1 1052 . 7 1 1 A 82 82 LEU N N 82 123.191 119.887 3.304 1
1 1053 . 7 1 1 A 83 83 ASP H H 83 8.330 8.192 0.138 1
1 1054 . 7 1 1 A 83 83 ASP HA H 83 4.260 4.556 -0.296 1
1 1057 . 7 1 1 A 83 83 ASP C C 83 174.543 177.173 -2.630 1
1 1058 . 7 1 1 A 83 83 ASP CA C 83 57.056 55.770 1.286 1
1 1059 . 7 1 1 A 83 83 ASP CB C 83 41.590 40.645 0.945 1
1 1060 . 7 1 1 A 83 83 ASP N N 83 122.600 118.848 3.752 1
1 1061 . 7 1 1 A 84 84 LYS H H 84 8.152 8.304 -0.152 1
1 1062 . 7 1 1 A 84 84 LYS HA H 84 4.060 4.307 -0.247 1
1 1071 . 7 1 1 A 84 84 LYS C C 84 172.461 176.423 -3.962 1
1 1072 . 7 1 1 A 84 84 LYS CA C 84 57.301 57.445 -0.144 1
1 1073 . 7 1 1 A 84 84 LYS CB C 84 31.140 32.598 -1.458 1
1 1077 . 7 1 1 A 84 84 LYS N N 84 113.797 116.833 -3.036 1
1 1078 . 7 1 1 A 85 85 VAL H H 85 7.290 7.609 -0.319 1
1 1079 . 7 1 1 A 85 85 VAL HA H 85 4.230 4.352 -0.122 1
1 1087 . 7 1 1 A 85 85 VAL C C 85 173.934 176.047 -2.113 1
1 1088 . 7 1 1 A 85 85 VAL CA C 85 63.300 61.952 1.348 1
1 1089 . 7 1 1 A 85 85 VAL CB C 85 32.320 32.963 -0.643 1
1 1092 . 7 1 1 A 85 85 VAL N N 85 118.733 120.481 -1.748 1
1 1093 . 7 1 1 A 86 86 VAL H H 86 9.093 9.123 -0.030 1
1 1094 . 7 1 1 A 86 86 VAL HA H 86 4.165 4.537 -0.372 1
1 1102 . 7 1 1 A 86 86 VAL C C 86 173.235 175.516 -2.281 1
1 1103 . 7 1 1 A 86 86 VAL CA C 86 62.144 61.896 0.248 1
1 1104 . 7 1 1 A 86 86 VAL CB C 86 33.397 33.526 -0.129 1
1 1107 . 7 1 1 A 86 86 VAL N N 86 125.341 123.639 1.702 1
1 1108 . 7 1 1 A 87 87 GLN H H 87 7.727 7.280 0.447 1
1 1109 . 7 1 1 A 87 87 GLN HA H 87 4.437 4.829 -0.392 1
1 1114 . 7 1 1 A 87 87 GLN C C 87 170.954 173.984 -3.030 1
1 1115 . 7 1 1 A 87 87 GLN CA C 87 56.370 55.601 0.769 1
1 1116 . 7 1 1 A 87 87 GLN CB C 87 32.420 32.404 0.016 1
1 1118 . 7 1 1 A 87 87 GLN N N 87 119.469 121.158 -1.689 1
1 1119 . 7 1 1 A 88 88 THR H H 88 8.087 8.726 -0.639 1
1 1120 . 7 1 1 A 88 88 THR HA H 88 4.857 5.440 -0.583 1
1 1125 . 7 1 1 A 88 88 THR CA C 88 61.850 60.644 1.206 1
1 1126 . 7 1 1 A 88 88 THR CB C 88 69.900 71.246 -1.346 1
1 1128 . 7 1 1 A 88 88 THR N N 88 119.679 115.499 4.180 1
1 1129 . 7 1 1 A 89 89 LEU HA H 89 4.851 5.278 -0.427 1
1 1139 . 7 1 1 A 89 89 LEU C C 89 174.211 177.111 -2.900 1
1 1140 . 7 1 1 A 89 89 LEU CA C 89 54.590 53.184 1.406 1
1 1141 . 7 1 1 A 89 89 LEU CB C 89 44.176 44.907 -0.731 1
1 1145 . 7 1 1 A 90 90 GLY H H 90 8.697 8.775 -0.078 1
1 1146 . 7 1 1 A 90 90 GLY HA2 H 90 4.181 4.029 0.152 1
1 1147 . 7 1 1 A 90 90 GLY HA3 H 90 4.267 4.237 0.030 1
1 1148 . 7 1 1 A 90 90 GLY C C 90 170.516 173.680 -3.164 1
1 1149 . 7 1 1 A 90 90 GLY CA C 90 45.810 45.535 0.275 1
1 1150 . 7 1 1 A 90 90 GLY N N 90 109.859 114.060 -4.201 1
1 1 . 8 1 1 A 2 2 GLY HA2 H 2 3.721 4.090 -0.369 1
1 2 . 8 1 1 A 2 2 GLY HA3 H 2 3.721 4.159 -0.438 1
1 3 . 8 1 1 A 2 2 GLY CA C 2 43.440 44.741 -1.301 1
1 4 . 8 1 1 A 3 3 HIS HA H 3 4.602 5.153 -0.551 1
1 9 . 8 1 1 A 3 3 HIS C C 3 172.383 174.429 -2.046 1
1 10 . 8 1 1 A 3 3 HIS CA C 3 56.270 54.361 1.909 1
1 11 . 8 1 1 A 3 3 HIS CB C 3 30.850 30.971 -0.121 1
1 14 . 8 1 1 A 4 4 MET H H 4 8.397 8.557 -0.160 1
1 15 . 8 1 1 A 4 4 MET HA H 4 4.720 4.646 0.074 1
1 23 . 8 1 1 A 4 4 MET CA C 4 53.410 54.671 -1.261 1
1 24 . 8 1 1 A 4 4 MET CB C 4 32.550 32.346 0.204 1
1 27 . 8 1 1 A 4 4 MET N N 4 123.715 125.185 -1.470 1
1 28 . 8 1 1 A 5 5 PRO HA H 5 4.340 4.750 -0.410 1
1 35 . 8 1 1 A 5 5 PRO C C 5 174.369 177.062 -2.693 1
1 36 . 8 1 1 A 5 5 PRO CA C 5 63.686 62.644 1.042 1
1 37 . 8 1 1 A 5 5 PRO CB C 5 32.430 31.665 0.765 1
1 40 . 8 1 1 A 6 6 SER H H 6 8.337 8.416 -0.079 1
1 41 . 8 1 1 A 6 6 SER HA H 6 4.299 4.392 -0.093 1
1 44 . 8 1 1 A 6 6 SER C C 6 171.770 174.137 -2.367 1
1 45 . 8 1 1 A 6 6 SER CA C 6 58.800 60.723 -1.923 1
1 46 . 8 1 1 A 6 6 SER CB C 6 63.896 63.721 0.175 1
1 47 . 8 1 1 A 6 6 SER N N 6 115.479 119.774 -4.295 1
1 48 . 8 1 1 A 7 7 ASP H H 7 8.269 8.671 -0.402 1
1 49 . 8 1 1 A 7 7 ASP HA H 7 4.545 4.703 -0.158 1
1 52 . 8 1 1 A 7 7 ASP C C 7 173.646 176.902 -3.256 1
1 53 . 8 1 1 A 7 7 ASP CA C 7 54.571 53.907 0.664 1
1 54 . 8 1 1 A 7 7 ASP CB C 7 41.353 41.930 -0.577 1
1 55 . 8 1 1 A 7 7 ASP N N 7 122.367 126.245 -3.878 1
1 56 . 8 1 1 A 8 8 SER H H 8 8.126 8.709 -0.583 1
1 57 . 8 1 1 A 8 8 SER HA H 8 4.337 4.282 0.055 1
1 60 . 8 1 1 A 8 8 SER C C 8 171.792 174.706 -2.914 1
1 61 . 8 1 1 A 8 8 SER CA C 8 58.950 60.863 -1.913 1
1 62 . 8 1 1 A 8 8 SER CB C 8 64.140 63.339 0.801 1
1 63 . 8 1 1 A 8 8 SER N N 8 116.038 118.641 -2.603 1
1 64 . 8 1 1 A 9 9 LYS H H 9 8.400 7.666 0.734 1
1 65 . 8 1 1 A 9 9 LYS HA H 9 4.225 4.436 -0.211 1
1 74 . 8 1 1 A 9 9 LYS C C 9 173.626 176.789 -3.163 1
1 75 . 8 1 1 A 9 9 LYS CA C 9 56.391 55.644 0.747 1
1 76 . 8 1 1 A 9 9 LYS CB C 9 32.970 33.165 -0.195 1
1 80 . 8 1 1 A 9 9 LYS N N 9 122.400 121.340 1.060 1
1 81 . 8 1 1 A 10 10 LYS H H 10 8.180 8.629 -0.449 1
1 82 . 8 1 1 A 10 10 LYS HA H 10 4.493 4.162 0.331 1
1 91 . 8 1 1 A 10 10 LYS CA C 10 54.500 57.094 -2.594 1
1 92 . 8 1 1 A 10 10 LYS CB C 10 32.750 31.489 1.261 1
1 96 . 8 1 1 A 10 10 LYS N N 10 123.900 118.523 5.377 1
1 97 . 8 1 1 A 11 11 PRO HA H 11 4.404 4.449 -0.045 1
1 104 . 8 1 1 A 11 11 PRO C C 11 174.099 176.471 -2.372 1
1 105 . 8 1 1 A 11 11 PRO CA C 11 63.451 62.982 0.469 1
1 106 . 8 1 1 A 11 11 PRO CB C 11 32.405 31.937 0.468 1
1 109 . 8 1 1 A 12 12 THR H H 12 8.277 8.434 -0.157 1
1 110 . 8 1 1 A 12 12 THR HA H 12 4.156 4.348 -0.192 1
1 115 . 8 1 1 A 12 12 THR C C 12 171.255 174.508 -3.253 1
1 116 . 8 1 1 A 12 12 THR CA C 12 62.829 63.003 -0.174 1
1 117 . 8 1 1 A 12 12 THR CB C 12 70.113 68.692 1.421 1
1 119 . 8 1 1 A 12 12 THR N N 12 116.775 118.698 -1.923 1
1 120 . 8 1 1 A 13 13 ILE H H 13 8.141 8.717 -0.576 1
1 121 . 8 1 1 A 13 13 ILE HA H 13 3.880 4.277 -0.397 1
1 131 . 8 1 1 A 13 13 ILE C C 13 171.936 175.535 -3.599 1
1 132 . 8 1 1 A 13 13 ILE CA C 13 61.000 61.183 -0.183 1
1 133 . 8 1 1 A 13 13 ILE CB C 13 38.957 38.028 0.929 1
1 137 . 8 1 1 A 13 13 ILE N N 13 126.554 127.980 -1.426 1
1 138 . 8 1 1 A 14 14 ILE H H 14 7.890 8.432 -0.542 1
1 139 . 8 1 1 A 14 14 ILE HA H 14 4.045 4.722 -0.677 1
1 149 . 8 1 1 A 14 14 ILE C C 14 171.624 174.743 -3.119 1
1 150 . 8 1 1 A 14 14 ILE CA C 14 60.132 60.495 -0.363 1
1 151 . 8 1 1 A 14 14 ILE CB C 14 38.760 38.804 -0.044 1
1 155 . 8 1 1 A 14 14 ILE N N 14 127.503 127.234 0.269 1
1 156 . 8 1 1 A 15 15 TYR H H 15 8.185 8.745 -0.560 1
1 165 . 8 1 1 A 15 15 TYR N N 15 123.664 125.325 -1.661 1
1 166 . 8 1 1 A 16 16 PRO HA H 16 5.087 5.432 -0.345 1
1 173 . 8 1 1 A 16 16 PRO C C 16 172.702 174.956 -2.254 1
1 174 . 8 1 1 A 16 16 PRO CA C 16 62.891 62.958 -0.067 1
1 175 . 8 1 1 A 16 16 PRO CB C 16 36.288 33.000 3.288 1
1 178 . 8 1 1 A 17 17 CYS H H 17 8.579 8.720 -0.141 1
1 179 . 8 1 1 A 17 17 CYS HA H 17 4.924 4.898 0.026 1
1 182 . 8 1 1 A 17 17 CYS C C 17 169.725 173.680 -3.955 1
1 183 . 8 1 1 A 17 17 CYS CA C 17 55.925 58.038 -2.113 1
1 184 . 8 1 1 A 17 17 CYS CB C 17 31.200 31.747 -0.547 1
1 185 . 8 1 1 A 17 17 CYS N N 17 114.797 119.358 -4.561 1
1 186 . 8 1 1 A 18 18 LEU H H 18 8.449 8.599 -0.150 1
1 187 . 8 1 1 A 18 18 LEU HA H 18 4.336 4.713 -0.377 1
1 197 . 8 1 1 A 18 18 LEU C C 18 172.529 176.115 -3.586 1
1 198 . 8 1 1 A 18 18 LEU CA C 18 55.600 54.973 0.627 1
1 199 . 8 1 1 A 18 18 LEU CB C 18 42.550 40.931 1.619 1
1 203 . 8 1 1 A 18 18 LEU N N 18 122.242 123.644 -1.402 1
1 204 . 8 1 1 A 19 19 TRP H H 19 9.079 9.178 -0.099 1
1 205 . 8 1 1 A 19 19 TRP HA H 19 4.300 5.068 -0.768 1
1 214 . 8 1 1 A 19 19 TRP C C 19 170.195 174.470 -4.275 1
1 215 . 8 1 1 A 19 19 TRP CA C 19 56.750 56.855 -0.105 1
1 216 . 8 1 1 A 19 19 TRP CB C 19 33.935 31.598 2.337 1
1 222 . 8 1 1 A 19 19 TRP N N 19 130.082 127.611 2.471 1
1 224 . 8 1 1 A 20 20 ASP H H 20 6.314 7.918 -1.604 1
1 225 . 8 1 1 A 20 20 ASP HA H 20 5.559 5.299 0.260 1
1 228 . 8 1 1 A 20 20 ASP C C 20 172.285 173.657 -1.372 1
1 229 . 8 1 1 A 20 20 ASP CA C 20 52.900 52.588 0.312 1
1 230 . 8 1 1 A 20 20 ASP CB C 20 43.450 43.449 0.001 1
1 231 . 8 1 1 A 20 20 ASP N N 20 122.801 128.180 -5.379 1
1 232 . 8 1 1 A 21 21 TYR H H 21 9.519 9.508 0.011 1
1 233 . 8 1 1 A 21 21 TYR HA H 21 4.975 5.246 -0.271 1
1 240 . 8 1 1 A 21 21 TYR C C 21 172.202 174.578 -2.376 1
1 241 . 8 1 1 A 21 21 TYR CA C 21 56.910 56.669 0.241 1
1 242 . 8 1 1 A 21 21 TYR CB C 21 40.850 40.384 0.466 1
1 247 . 8 1 1 A 21 21 TYR N N 21 120.749 124.384 -3.635 1
1 248 . 8 1 1 A 22 22 ARG H H 22 8.758 9.128 -0.370 1
1 249 . 8 1 1 A 22 22 ARG HA H 22 5.189 4.736 0.453 1
1 256 . 8 1 1 A 22 22 ARG C C 22 172.210 175.124 -2.914 1
1 257 . 8 1 1 A 22 22 ARG CA C 22 55.180 56.306 -1.126 1
1 258 . 8 1 1 A 22 22 ARG CB C 22 31.360 30.818 0.542 1
1 261 . 8 1 1 A 22 22 ARG N N 22 124.405 126.173 -1.768 1
1 262 . 8 1 1 A 23 23 VAL H H 23 9.170 9.107 0.063 1
1 263 . 8 1 1 A 23 23 VAL HA H 23 4.591 4.875 -0.284 1
1 271 . 8 1 1 A 23 23 VAL C C 23 171.354 175.070 -3.716 1
1 272 . 8 1 1 A 23 23 VAL CA C 23 61.836 61.708 0.128 1
1 273 . 8 1 1 A 23 23 VAL CB C 23 35.725 33.199 2.526 1
1 276 . 8 1 1 A 23 23 VAL N N 23 125.900 127.431 -1.531 1
1 277 . 8 1 1 A 24 24 ILE H H 24 8.919 9.335 -0.416 1
1 278 . 8 1 1 A 24 24 ILE HA H 24 5.119 5.186 -0.067 1
1 288 . 8 1 1 A 24 24 ILE C C 24 173.492 175.400 -1.908 1
1 289 . 8 1 1 A 24 24 ILE CA C 24 60.567 60.536 0.031 1
1 290 . 8 1 1 A 24 24 ILE CB C 24 38.346 39.051 -0.705 1
1 294 . 8 1 1 A 24 24 ILE N N 24 127.789 129.510 -1.721 1
1 295 . 8 1 1 A 25 25 MET H H 25 9.857 8.964 0.893 1
1 296 . 8 1 1 A 25 25 MET HA H 25 6.017 5.348 0.669 1
1 304 . 8 1 1 A 25 25 MET C C 25 174.379 176.614 -2.235 1
1 305 . 8 1 1 A 25 25 MET CA C 25 54.898 54.162 0.736 1
1 306 . 8 1 1 A 25 25 MET CB C 25 40.260 36.973 3.287 1
1 309 . 8 1 1 A 25 25 MET N N 25 124.403 126.127 -1.724 1
1 310 . 8 1 1 A 26 26 THR H H 26 8.843 8.383 0.460 1
1 311 . 8 1 1 A 26 26 THR HA H 26 4.875 4.973 -0.098 1
1 316 . 8 1 1 A 26 26 THR C C 26 170.849 174.132 -3.283 1
1 317 . 8 1 1 A 26 26 THR CA C 26 61.826 61.483 0.343 1
1 318 . 8 1 1 A 26 26 THR CB C 26 68.846 68.692 0.154 1
1 320 . 8 1 1 A 26 26 THR N N 26 108.669 112.294 -3.625 1
1 321 . 8 1 1 A 27 27 THR H H 27 7.342 7.856 -0.514 1
1 322 . 8 1 1 A 27 27 THR HA H 27 4.618 4.804 -0.186 1
1 327 . 8 1 1 A 27 27 THR C C 27 166.898 173.326 -6.428 1
1 328 . 8 1 1 A 27 27 THR CA C 27 58.657 60.195 -1.538 1
1 329 . 8 1 1 A 27 27 THR CB C 27 69.696 70.729 -1.033 1
1 331 . 8 1 1 A 27 27 THR N N 27 114.866 114.700 0.166 1
1 332 . 8 1 1 A 28 28 LYS H H 28 7.638 8.636 -0.998 1
1 333 . 8 1 1 A 28 28 LYS HA H 28 3.991 4.355 -0.364 1
1 342 . 8 1 1 A 28 28 LYS C C 28 173.190 176.630 -3.440 1
1 343 . 8 1 1 A 28 28 LYS CA C 28 55.731 56.813 -1.082 1
1 344 . 8 1 1 A 28 28 LYS CB C 28 32.790 32.234 0.556 1
1 348 . 8 1 1 A 28 28 LYS N N 28 121.283 124.852 -3.569 1
1 349 . 8 1 1 A 29 29 ASP H H 29 8.184 7.621 0.563 1
1 350 . 8 1 1 A 29 29 ASP HA H 29 4.401 4.581 -0.180 1
1 353 . 8 1 1 A 29 29 ASP C C 29 173.830 174.767 -0.937 1
1 354 . 8 1 1 A 29 29 ASP CA C 29 53.979 53.193 0.786 1
1 355 . 8 1 1 A 29 29 ASP CB C 29 40.730 39.769 0.961 1
1 356 . 8 1 1 A 29 29 ASP N N 29 120.231 121.679 -1.448 1
1 357 . 8 1 1 A 30 30 THR H H 30 7.830 8.663 -0.833 1
1 358 . 8 1 1 A 30 30 THR HA H 30 3.742 4.633 -0.891 1
1 363 . 8 1 1 A 30 30 THR C C 30 172.987 173.753 -0.766 1
1 364 . 8 1 1 A 30 30 THR CA C 30 61.299 60.048 1.251 1
1 365 . 8 1 1 A 30 30 THR CB C 30 69.294 68.794 0.500 1
1 367 . 8 1 1 A 30 30 THR N N 30 115.459 120.693 -5.234 1
1 368 . 8 1 1 A 31 31 SER H H 31 8.561 8.614 -0.053 1
1 369 . 8 1 1 A 31 31 SER HA H 31 3.875 4.636 -0.761 1
1 372 . 8 1 1 A 31 31 SER CA C 31 63.520 59.410 4.110 1
1 373 . 8 1 1 A 31 31 SER CB C 31 62.332 64.462 -2.130 1
1 374 . 8 1 1 A 31 31 SER N N 31 119.763 124.605 -4.842 1
1 375 . 8 1 1 A 32 32 THR HA H 32 3.961 3.914 0.047 1
1 380 . 8 1 1 A 32 32 THR C C 32 173.850 176.134 -2.284 1
1 381 . 8 1 1 A 32 32 THR CA C 32 65.447 66.675 -1.228 1
1 382 . 8 1 1 A 32 32 THR CB C 32 68.715 68.805 -0.090 1
1 384 . 8 1 1 A 33 33 LEU H H 33 7.209 7.997 -0.788 1
1 385 . 8 1 1 A 33 33 LEU HA H 33 3.950 3.863 0.087 1
1 395 . 8 1 1 A 33 33 LEU C C 33 174.505 178.638 -4.133 1
1 396 . 8 1 1 A 33 33 LEU CA C 33 57.653 58.197 -0.544 1
1 397 . 8 1 1 A 33 33 LEU CB C 33 42.210 41.376 0.834 1
1 401 . 8 1 1 A 33 33 LEU N N 33 125.158 121.767 3.391 1
1 402 . 8 1 1 A 34 34 LYS H H 34 8.671 8.173 0.498 1
1 403 . 8 1 1 A 34 34 LYS HA H 34 3.552 3.581 -0.029 1
1 412 . 8 1 1 A 34 34 LYS C C 34 174.794 179.617 -4.823 1
1 413 . 8 1 1 A 34 34 LYS CA C 34 61.226 59.761 1.465 1
1 414 . 8 1 1 A 34 34 LYS CB C 34 32.880 32.218 0.662 1
1 418 . 8 1 1 A 34 34 LYS N N 34 119.112 118.485 0.627 1
1 419 . 8 1 1 A 35 35 GLU H H 35 7.813 8.049 -0.236 1
1 420 . 8 1 1 A 35 35 GLU HA H 35 3.863 3.964 -0.101 1
1 425 . 8 1 1 A 35 35 GLU C C 35 176.222 179.073 -2.851 1
1 426 . 8 1 1 A 35 35 GLU CA C 35 59.721 59.106 0.615 1
1 427 . 8 1 1 A 35 35 GLU CB C 35 29.898 29.247 0.651 1
1 429 . 8 1 1 A 35 35 GLU N N 35 116.554 120.465 -3.911 1
1 430 . 8 1 1 A 36 36 LEU H H 36 7.153 7.693 -0.540 1
1 431 . 8 1 1 A 36 36 LEU HA H 36 4.175 3.939 0.236 1
1 441 . 8 1 1 A 36 36 LEU C C 36 177.281 178.896 -1.615 1
1 442 . 8 1 1 A 36 36 LEU CA C 36 58.018 58.023 -0.005 1
1 443 . 8 1 1 A 36 36 LEU CB C 36 41.720 41.288 0.432 1
1 447 . 8 1 1 A 36 36 LEU N N 36 119.071 118.917 0.154 1
1 448 . 8 1 1 A 37 37 LEU H H 37 8.245 7.751 0.494 1
1 449 . 8 1 1 A 37 37 LEU HA H 37 3.749 4.023 -0.274 1
1 459 . 8 1 1 A 37 37 LEU C C 37 177.903 179.693 -1.790 1
1 460 . 8 1 1 A 37 37 LEU CA C 37 58.278 58.252 0.026 1
1 461 . 8 1 1 A 37 37 LEU CB C 37 39.600 40.119 -0.519 1
1 465 . 8 1 1 A 37 37 LEU N N 37 121.326 118.985 2.341 1
1 466 . 8 1 1 A 38 38 GLU H H 38 8.641 8.396 0.245 1
1 467 . 8 1 1 A 38 38 GLU HA H 38 4.320 4.246 0.074 1
1 472 . 8 1 1 A 38 38 GLU C C 38 177.074 179.217 -2.143 1
1 473 . 8 1 1 A 38 38 GLU CA C 38 59.619 59.543 0.076 1
1 474 . 8 1 1 A 38 38 GLU CB C 38 29.850 29.008 0.842 1
1 476 . 8 1 1 A 38 38 GLU N N 38 119.504 118.894 0.610 1
1 477 . 8 1 1 A 39 39 THR H H 39 7.653 7.828 -0.175 1
1 478 . 8 1 1 A 39 39 THR HA H 39 4.097 4.016 0.081 1
1 483 . 8 1 1 A 39 39 THR C C 39 173.229 176.003 -2.774 1
1 484 . 8 1 1 A 39 39 THR CA C 39 65.080 65.234 -0.154 1
1 485 . 8 1 1 A 39 39 THR CB C 39 69.952 68.245 1.707 1
1 487 . 8 1 1 A 39 39 THR N N 39 110.838 112.948 -2.110 1
1 488 . 8 1 1 A 40 40 TYR H H 40 7.478 7.437 0.041 1
1 489 . 8 1 1 A 40 40 TYR HA H 40 4.073 4.682 -0.609 1
1 496 . 8 1 1 A 40 40 TYR C C 40 172.486 175.127 -2.641 1
1 497 . 8 1 1 A 40 40 TYR CA C 40 61.549 57.354 4.195 1
1 498 . 8 1 1 A 40 40 TYR CB C 40 37.140 38.108 -0.968 1
1 503 . 8 1 1 A 40 40 TYR N N 40 118.654 120.452 -1.798 1
1 504 . 8 1 1 A 41 41 GLN H H 41 7.901 8.034 -0.133 1
1 505 . 8 1 1 A 41 41 GLN HA H 41 3.963 4.006 -0.043 1
1 512 . 8 1 1 A 41 41 GLN C C 41 171.223 174.110 -2.887 1
1 513 . 8 1 1 A 41 41 GLN CA C 41 57.158 57.342 -0.184 1
1 514 . 8 1 1 A 41 41 GLN CB C 41 27.330 26.391 0.939 1
1 516 . 8 1 1 A 41 41 GLN N N 41 116.315 116.061 0.254 1
1 518 . 8 1 1 A 42 42 ARG H H 42 8.493 7.901 0.592 1
1 519 . 8 1 1 A 42 42 ARG HA H 42 5.052 4.978 0.074 1
1 527 . 8 1 1 A 42 42 ARG CA C 42 54.040 54.162 -0.122 1
1 528 . 8 1 1 A 42 42 ARG CB C 42 30.650 31.942 -1.292 1
1 531 . 8 1 1 A 42 42 ARG N N 42 115.494 116.217 -0.723 1
1 533 . 8 1 1 A 43 43 PRO HA H 43 4.390 4.792 -0.402 1
1 540 . 8 1 1 A 43 43 PRO C C 43 172.836 176.780 -3.944 1
1 541 . 8 1 1 A 43 43 PRO CA C 43 63.574 62.721 0.853 1
1 542 . 8 1 1 A 43 43 PRO CB C 43 32.500 32.803 -0.303 1
1 545 . 8 1 1 A 44 44 PHE H H 44 7.742 8.654 -0.912 1
1 546 . 8 1 1 A 44 44 PHE HA H 44 5.281 5.343 -0.062 1
1 554 . 8 1 1 A 44 44 PHE C C 44 170.840 172.492 -1.652 1
1 555 . 8 1 1 A 44 44 PHE CA C 44 56.174 55.508 0.666 1
1 556 . 8 1 1 A 44 44 PHE CB C 44 42.280 42.512 -0.232 1
1 562 . 8 1 1 A 44 44 PHE N N 44 115.046 118.470 -3.424 1
1 563 . 8 1 1 A 45 45 LYS H H 45 8.944 9.333 -0.389 1
1 564 . 8 1 1 A 45 45 LYS HA H 45 4.641 4.769 -0.128 1
1 573 . 8 1 1 A 45 45 LYS C C 45 171.934 174.595 -2.661 1
1 574 . 8 1 1 A 45 45 LYS CA C 45 55.210 55.104 0.106 1
1 575 . 8 1 1 A 45 45 LYS CB C 45 35.600 34.108 1.492 1
1 579 . 8 1 1 A 45 45 LYS N N 45 121.090 121.044 0.046 1
1 580 . 8 1 1 A 46 46 LEU H H 46 8.897 8.816 0.081 1
1 581 . 8 1 1 A 46 46 LEU HA H 46 5.332 5.191 0.141 1
1 590 . 8 1 1 A 46 46 LEU C C 46 172.666 174.745 -2.079 1
1 591 . 8 1 1 A 46 46 LEU CA C 46 54.510 54.262 0.248 1
1 592 . 8 1 1 A 46 46 LEU CB C 46 44.620 44.240 0.380 1
1 595 . 8 1 1 A 46 46 LEU N N 46 128.615 129.035 -0.420 1
1 596 . 8 1 1 A 47 47 GLU H H 47 9.220 9.448 -0.228 1
1 597 . 8 1 1 A 47 47 GLU HA H 47 4.911 5.175 -0.264 1
1 602 . 8 1 1 A 47 47 GLU C C 47 172.392 174.561 -2.169 1
1 603 . 8 1 1 A 47 47 GLU CA C 47 54.980 54.990 -0.010 1
1 604 . 8 1 1 A 47 47 GLU CB C 47 34.490 33.148 1.342 1
1 606 . 8 1 1 A 47 47 GLU N N 47 125.300 126.185 -0.885 1
1 607 . 8 1 1 A 48 48 PHE H H 48 9.157 9.164 -0.007 1
1 608 . 8 1 1 A 48 48 PHE HA H 48 4.302 4.994 -0.692 1
1 616 . 8 1 1 A 48 48 PHE C C 48 171.971 174.319 -2.348 1
1 617 . 8 1 1 A 48 48 PHE CA C 48 58.240 56.702 1.538 1
1 618 . 8 1 1 A 48 48 PHE CB C 48 39.410 40.175 -0.765 1
1 624 . 8 1 1 A 48 48 PHE N N 48 126.911 125.543 1.368 1
1 625 . 8 1 1 A 49 49 LYS H H 49 8.256 8.513 -0.257 1
1 626 . 8 1 1 A 49 49 LYS HA H 49 4.176 4.162 0.014 1
1 635 . 8 1 1 A 49 49 LYS C C 49 172.030 175.865 -3.835 1
1 636 . 8 1 1 A 49 49 LYS CA C 49 55.244 57.938 -2.694 1
1 637 . 8 1 1 A 49 49 LYS CB C 49 32.640 32.850 -0.210 1
1 641 . 8 1 1 A 49 49 LYS N N 49 127.526 127.468 0.058 1
1 642 . 8 1 1 A 50 50 ASN H H 50 7.062 7.117 -0.055 1
1 643 . 8 1 1 A 50 50 ASN HA H 50 4.353 4.596 -0.243 1
1 648 . 8 1 1 A 50 50 ASN C C 50 171.278 172.820 -1.542 1
1 649 . 8 1 1 A 50 50 ASN CA C 50 53.807 52.375 1.432 1
1 650 . 8 1 1 A 50 50 ASN CB C 50 40.460 41.319 -0.859 1
1 651 . 8 1 1 A 50 50 ASN N N 50 115.764 111.819 3.945 1
1 653 . 8 1 1 A 51 51 THR H H 51 8.217 8.440 -0.223 1
1 654 . 8 1 1 A 51 51 THR HA H 51 4.685 4.512 0.173 1
1 659 . 8 1 1 A 51 51 THR C C 51 171.816 174.956 -3.140 1
1 660 . 8 1 1 A 51 51 THR CA C 51 61.243 62.287 -1.044 1
1 661 . 8 1 1 A 51 51 THR CB C 51 70.632 69.869 0.763 1
1 663 . 8 1 1 A 51 51 THR N N 51 114.341 117.577 -3.236 1
1 664 . 8 1 1 A 52 52 SER H H 52 8.314 8.955 -0.641 1
1 665 . 8 1 1 A 52 52 SER HA H 52 4.395 4.480 -0.085 1
1 668 . 8 1 1 A 52 52 SER CA C 52 58.470 58.469 0.001 1
1 669 . 8 1 1 A 52 52 SER CB C 52 64.580 64.180 0.400 1
1 670 . 8 1 1 A 52 52 SER N N 52 118.503 121.578 -3.075 1
1 671 . 8 1 1 A 54 54 ASN HA H 54 4.484 4.732 -0.248 1
1 676 . 8 1 1 A 54 54 ASN C C 54 171.753 174.866 -3.113 1
1 677 . 8 1 1 A 54 54 ASN CA C 54 53.296 54.658 -1.362 1
1 678 . 8 1 1 A 54 54 ASN CB C 54 38.080 39.096 -1.016 1
1 680 . 8 1 1 A 55 55 ALA H H 55 7.927 8.110 -0.183 1
1 681 . 8 1 1 A 55 55 ALA HA H 55 3.759 4.112 -0.353 1
1 685 . 8 1 1 A 55 55 ALA C C 55 173.386 177.328 -3.942 1
1 686 . 8 1 1 A 55 55 ALA CA C 55 53.266 54.905 -1.639 1
1 687 . 8 1 1 A 55 55 ALA CB C 55 18.180 16.827 1.353 1
1 688 . 8 1 1 A 55 55 ALA N N 55 120.429 120.343 0.086 1
1 689 . 8 1 1 A 56 56 LYS H H 56 7.426 8.087 -0.661 1
1 690 . 8 1 1 A 56 56 LYS HA H 56 3.919 3.849 0.070 1
1 702 . 8 1 1 A 56 56 LYS C C 56 172.612 175.576 -2.964 1
1 703 . 8 1 1 A 56 56 LYS CA C 56 57.113 58.127 -1.014 1
1 704 . 8 1 1 A 56 56 LYS CB C 56 33.566 32.059 1.507 1
1 708 . 8 1 1 A 56 56 LYS N N 56 116.392 117.779 -1.387 1
1 710 . 8 1 1 A 57 57 PHE H H 57 7.253 7.634 -0.381 1
1 711 . 8 1 1 A 57 57 PHE HA H 57 5.062 5.167 -0.105 1
1 719 . 8 1 1 A 57 57 PHE C C 57 171.527 174.143 -2.616 1
1 720 . 8 1 1 A 57 57 PHE CA C 57 54.920 56.208 -1.288 1
1 721 . 8 1 1 A 57 57 PHE CB C 57 41.910 41.808 0.102 1
1 727 . 8 1 1 A 57 57 PHE N N 57 113.835 116.234 -2.399 1
1 728 . 8 1 1 A 58 58 TYR H H 58 9.172 9.490 -0.318 1
1 729 . 8 1 1 A 58 58 TYR HA H 58 4.746 5.069 -0.323 1
1 736 . 8 1 1 A 58 58 TYR C C 58 171.294 175.111 -3.817 1
1 737 . 8 1 1 A 58 58 TYR CA C 58 57.770 56.215 1.555 1
1 738 . 8 1 1 A 58 58 TYR CB C 58 41.784 41.372 0.412 1
1 743 . 8 1 1 A 58 58 TYR N N 58 121.139 121.601 -0.462 1
1 744 . 8 1 1 A 59 59 SER H H 59 8.786 8.733 0.053 1
1 745 . 8 1 1 A 59 59 SER HA H 59 5.399 4.826 0.573 1
1 748 . 8 1 1 A 59 59 SER C C 59 170.105 173.661 -3.556 1
1 749 . 8 1 1 A 59 59 SER CA C 59 57.650 58.134 -0.484 1
1 750 . 8 1 1 A 59 59 SER CB C 59 65.220 63.683 1.537 1
1 751 . 8 1 1 A 59 59 SER N N 59 118.511 120.086 -1.575 1
1 752 . 8 1 1 A 60 60 PHE H H 60 9.389 9.616 -0.227 1
1 753 . 8 1 1 A 60 60 PHE HA H 60 5.210 5.453 -0.243 1
1 761 . 8 1 1 A 60 60 PHE C C 60 172.188 174.745 -2.557 1
1 762 . 8 1 1 A 60 60 PHE CA C 60 56.824 56.598 0.226 1
1 763 . 8 1 1 A 60 60 PHE CB C 60 43.645 42.693 0.952 1
1 769 . 8 1 1 A 60 60 PHE N N 60 121.864 126.324 -4.460 1
1 770 . 8 1 1 A 61 61 ASN H H 61 9.448 9.221 0.227 1
1 771 . 8 1 1 A 61 61 ASN HA H 61 5.564 5.428 0.136 1
1 776 . 8 1 1 A 61 61 ASN C C 61 171.756 173.686 -1.930 1
1 777 . 8 1 1 A 61 61 ASN CA C 61 53.012 52.971 0.041 1
1 778 . 8 1 1 A 61 61 ASN CB C 61 42.580 42.812 -0.232 1
1 779 . 8 1 1 A 61 61 ASN N N 61 121.107 118.792 2.315 1
1 781 . 8 1 1 A 62 62 VAL H H 62 9.361 9.013 0.348 1
1 782 . 8 1 1 A 62 62 VAL HA H 62 5.159 5.380 -0.221 1
1 790 . 8 1 1 A 62 62 VAL C C 62 171.964 175.124 -3.160 1
1 791 . 8 1 1 A 62 62 VAL CA C 62 60.991 60.722 0.269 1
1 792 . 8 1 1 A 62 62 VAL CB C 62 35.350 35.374 -0.024 1
1 795 . 8 1 1 A 62 62 VAL N N 62 126.781 125.853 0.928 1
1 796 . 8 1 1 A 63 63 SER H H 63 8.750 8.995 -0.245 1
1 797 . 8 1 1 A 63 63 SER HA H 63 5.955 5.703 0.252 1
1 800 . 8 1 1 A 63 63 SER C C 63 171.905 173.330 -1.425 1
1 801 . 8 1 1 A 63 63 SER CA C 63 56.587 57.814 -1.227 1
1 802 . 8 1 1 A 63 63 SER CB C 63 65.231 65.281 -0.050 1
1 803 . 8 1 1 A 63 63 SER N N 63 120.886 124.268 -3.382 1
1 804 . 8 1 1 A 64 64 MET H H 64 8.918 9.094 -0.176 1
1 805 . 8 1 1 A 64 64 MET HA H 64 4.622 5.415 -0.793 1
1 813 . 8 1 1 A 64 64 MET C C 64 170.352 175.416 -5.064 1
1 814 . 8 1 1 A 64 64 MET CA C 64 55.950 53.572 2.378 1
1 815 . 8 1 1 A 64 64 MET CB C 64 38.000 35.957 2.043 1
1 818 . 8 1 1 A 64 64 MET N N 64 123.839 122.937 0.902 1
1 819 . 8 1 1 A 65 65 GLU H H 65 9.213 8.465 0.748 1
1 820 . 8 1 1 A 65 65 GLU HA H 65 4.740 4.926 -0.186 1
1 825 . 8 1 1 A 65 65 GLU C C 65 172.659 176.440 -3.781 1
1 826 . 8 1 1 A 65 65 GLU CA C 65 57.547 56.735 0.812 1
1 827 . 8 1 1 A 65 65 GLU CB C 65 31.100 30.178 0.922 1
1 829 . 8 1 1 A 65 65 GLU N N 65 125.938 120.030 5.908 1
1 830 . 8 1 1 A 66 66 VAL H H 66 9.031 9.118 -0.087 1
1 831 . 8 1 1 A 66 66 VAL HA H 66 4.632 4.750 -0.118 1
1 839 . 8 1 1 A 66 66 VAL C C 66 174.252 176.262 -2.010 1
1 840 . 8 1 1 A 66 66 VAL CA C 66 59.454 60.744 -1.290 1
1 841 . 8 1 1 A 66 66 VAL CB C 66 35.450 34.025 1.425 1
1 844 . 8 1 1 A 66 66 VAL N N 66 117.398 120.406 -3.008 1
1 845 . 8 1 1 A 67 67 SER H H 67 9.309 8.835 0.474 1
1 846 . 8 1 1 A 67 67 SER HA H 67 4.185 4.428 -0.243 1
1 849 . 8 1 1 A 67 67 SER C C 67 170.646 174.743 -4.097 1
1 850 . 8 1 1 A 67 67 SER CA C 67 61.719 60.488 1.231 1
1 851 . 8 1 1 A 67 67 SER CB C 67 64.540 63.866 0.674 1
1 852 . 8 1 1 A 67 67 SER N N 67 116.754 120.641 -3.887 1
1 853 . 8 1 1 A 68 68 ASN H H 68 7.279 7.653 -0.374 1
1 854 . 8 1 1 A 68 68 ASN HA H 68 3.345 4.313 -0.968 1
1 859 . 8 1 1 A 68 68 ASN C C 68 170.781 174.938 -4.157 1
1 860 . 8 1 1 A 68 68 ASN CA C 68 51.758 52.005 -0.247 1
1 861 . 8 1 1 A 68 68 ASN CB C 68 38.809 39.127 -0.318 1
1 862 . 8 1 1 A 68 68 ASN N N 68 110.062 114.977 -4.915 1
1 864 . 8 1 1 A 69 69 GLU H H 69 8.126 8.215 -0.089 1
1 865 . 8 1 1 A 69 69 GLU HA H 69 3.337 3.479 -0.142 1
1 870 . 8 1 1 A 69 69 GLU C C 69 174.537 177.803 -3.266 1
1 871 . 8 1 1 A 69 69 GLU CA C 69 59.749 59.243 0.506 1
1 872 . 8 1 1 A 69 69 GLU CB C 69 30.250 29.197 1.053 1
1 874 . 8 1 1 A 69 69 GLU N N 69 120.604 119.185 1.419 1
1 875 . 8 1 1 A 70 70 SER H H 70 7.981 7.946 0.035 1
1 876 . 8 1 1 A 70 70 SER HA H 70 4.030 4.057 -0.027 1
1 879 . 8 1 1 A 70 70 SER C C 70 174.715 176.527 -1.812 1
1 880 . 8 1 1 A 70 70 SER CA C 70 62.097 61.726 0.371 1
1 881 . 8 1 1 A 70 70 SER CB C 70 62.350 62.694 -0.344 1
1 882 . 8 1 1 A 70 70 SER N N 70 114.770 116.792 -2.022 1
1 883 . 8 1 1 A 71 71 GLU H H 71 8.572 7.892 0.680 1
1 884 . 8 1 1 A 71 71 GLU HA H 71 3.927 3.987 -0.060 1
1 889 . 8 1 1 A 71 71 GLU C C 71 174.769 178.832 -4.063 1
1 890 . 8 1 1 A 71 71 GLU CA C 71 59.849 59.356 0.493 1
1 891 . 8 1 1 A 71 71 GLU CB C 71 30.950 29.225 1.725 1
1 893 . 8 1 1 A 71 71 GLU N N 71 124.163 121.843 2.320 1
1 894 . 8 1 1 A 72 72 ARG H H 72 7.797 7.815 -0.018 1
1 895 . 8 1 1 A 72 72 ARG HA H 72 3.776 4.544 -0.768 1
1 900 . 8 1 1 A 72 72 ARG C C 72 177.552 178.441 -0.889 1
1 901 . 8 1 1 A 72 72 ARG CA C 72 58.680 58.755 -0.075 1
1 902 . 8 1 1 A 72 72 ARG CB C 72 30.110 29.645 0.465 1
1 905 . 8 1 1 A 72 72 ARG N N 72 118.396 118.758 -0.362 1
1 906 . 8 1 1 A 73 73 ASN H H 73 8.175 7.885 0.290 1
1 907 . 8 1 1 A 73 73 ASN HA H 73 4.461 4.521 -0.060 1
1 912 . 8 1 1 A 73 73 ASN C C 73 174.089 177.736 -3.647 1
1 913 . 8 1 1 A 73 73 ASN CA C 73 55.500 55.686 -0.186 1
1 914 . 8 1 1 A 73 73 ASN CB C 73 37.844 38.292 -0.448 1
1 915 . 8 1 1 A 73 73 ASN N N 73 118.156 117.759 0.397 1
1 917 . 8 1 1 A 74 74 GLU H H 74 8.473 8.169 0.304 1
1 918 . 8 1 1 A 74 74 GLU HA H 74 3.954 4.155 -0.201 1
1 923 . 8 1 1 A 74 74 GLU C C 74 175.719 179.249 -3.530 1
1 924 . 8 1 1 A 74 74 GLU CA C 74 60.093 59.305 0.788 1
1 925 . 8 1 1 A 74 74 GLU CB C 74 30.460 29.290 1.170 1
1 927 . 8 1 1 A 74 74 GLU N N 74 124.825 118.648 6.177 1
1 928 . 8 1 1 A 75 75 ILE H H 75 8.273 8.202 0.071 1
1 929 . 8 1 1 A 75 75 ILE HA H 75 3.229 3.737 -0.508 1
1 939 . 8 1 1 A 75 75 ILE C C 75 174.591 178.257 -3.666 1
1 940 . 8 1 1 A 75 75 ILE CA C 75 66.460 65.029 1.431 1
1 941 . 8 1 1 A 75 75 ILE CB C 75 38.262 37.530 0.732 1
1 945 . 8 1 1 A 75 75 ILE N N 75 120.282 121.718 -1.436 1
1 946 . 8 1 1 A 76 76 PHE H H 76 7.233 8.173 -0.940 1
1 947 . 8 1 1 A 76 76 PHE HA H 76 3.600 4.046 -0.446 1
1 955 . 8 1 1 A 76 76 PHE C C 76 175.036 177.866 -2.830 1
1 956 . 8 1 1 A 76 76 PHE CA C 76 62.227 61.621 0.606 1
1 957 . 8 1 1 A 76 76 PHE CB C 76 40.170 39.750 0.420 1
1 963 . 8 1 1 A 76 76 PHE N N 76 117.265 120.911 -3.646 1
1 964 . 8 1 1 A 77 77 GLN H H 77 8.262 7.831 0.431 1
1 965 . 8 1 1 A 77 77 GLN HA H 77 3.753 3.942 -0.189 1
1 972 . 8 1 1 A 77 77 GLN C C 77 176.132 178.563 -2.431 1
1 973 . 8 1 1 A 77 77 GLN CA C 77 59.113 59.316 -0.203 1
1 974 . 8 1 1 A 77 77 GLN CB C 77 28.487 28.352 0.135 1
1 976 . 8 1 1 A 77 77 GLN N N 77 118.919 118.498 0.421 1
1 978 . 8 1 1 A 78 78 LYS H H 78 8.508 7.817 0.691 1
1 979 . 8 1 1 A 78 78 LYS HA H 78 3.804 4.048 -0.244 1
1 988 . 8 1 1 A 78 78 LYS C C 78 177.438 179.107 -1.669 1
1 989 . 8 1 1 A 78 78 LYS CA C 78 60.107 59.085 1.022 1
1 990 . 8 1 1 A 78 78 LYS CB C 78 33.160 32.771 0.389 1
1 994 . 8 1 1 A 78 78 LYS N N 78 119.345 119.325 0.020 1
1 995 . 8 1 1 A 79 79 ILE H H 79 8.395 7.738 0.657 1
1 996 . 8 1 1 A 79 79 ILE HA H 79 3.182 3.698 -0.516 1
1 1006 . 8 1 1 A 79 79 ILE C C 79 174.721 177.290 -2.569 1
1 1007 . 8 1 1 A 79 79 ILE CA C 79 66.280 64.638 1.642 1
1 1008 . 8 1 1 A 79 79 ILE CB C 79 38.360 37.005 1.355 1
1 1012 . 8 1 1 A 79 79 ILE N N 79 120.117 120.452 -0.335 1
1 1013 . 8 1 1 A 80 80 SER H H 80 7.459 7.688 -0.229 1
1 1014 . 8 1 1 A 80 80 SER HA H 80 3.868 4.084 -0.216 1
1 1017 . 8 1 1 A 80 80 SER C C 80 171.998 175.943 -3.945 1
1 1018 . 8 1 1 A 80 80 SER CA C 80 61.444 60.822 0.622 1
1 1019 . 8 1 1 A 80 80 SER CB C 80 63.500 62.847 0.653 1
1 1020 . 8 1 1 A 80 80 SER N N 80 110.857 116.938 -6.081 1
1 1021 . 8 1 1 A 81 81 GLN H H 81 7.095 7.541 -0.446 1
1 1022 . 8 1 1 A 81 81 GLN HA H 81 4.143 4.223 -0.080 1
1 1029 . 8 1 1 A 81 81 GLN C C 81 173.743 176.829 -3.086 1
1 1030 . 8 1 1 A 81 81 GLN CA C 81 55.894 56.984 -1.090 1
1 1031 . 8 1 1 A 81 81 GLN CB C 81 29.390 28.241 1.149 1
1 1033 . 8 1 1 A 81 81 GLN N N 81 117.056 119.252 -2.196 1
1 1035 . 8 1 1 A 82 82 LEU H H 82 7.495 7.654 -0.159 1
1 1036 . 8 1 1 A 82 82 LEU HA H 82 4.064 4.134 -0.070 1
1 1046 . 8 1 1 A 82 82 LEU C C 82 175.685 176.481 -0.796 1
1 1047 . 8 1 1 A 82 82 LEU CA C 82 55.730 55.349 0.381 1
1 1048 . 8 1 1 A 82 82 LEU CB C 82 41.740 42.324 -0.584 1
1 1052 . 8 1 1 A 82 82 LEU N N 82 123.191 119.147 4.044 1
1 1053 . 8 1 1 A 83 83 ASP H H 83 8.330 8.209 0.121 1
1 1054 . 8 1 1 A 83 83 ASP HA H 83 4.260 4.533 -0.273 1
1 1057 . 8 1 1 A 83 83 ASP C C 83 174.543 177.035 -2.492 1
1 1058 . 8 1 1 A 83 83 ASP CA C 83 57.056 55.740 1.316 1
1 1059 . 8 1 1 A 83 83 ASP CB C 83 41.590 40.588 1.002 1
1 1060 . 8 1 1 A 83 83 ASP N N 83 122.600 118.833 3.767 1
1 1061 . 8 1 1 A 84 84 LYS H H 84 8.152 8.156 -0.004 1
1 1062 . 8 1 1 A 84 84 LYS HA H 84 4.060 4.351 -0.291 1
1 1071 . 8 1 1 A 84 84 LYS C C 84 172.461 176.129 -3.668 1
1 1072 . 8 1 1 A 84 84 LYS CA C 84 57.301 57.131 0.170 1
1 1073 . 8 1 1 A 84 84 LYS CB C 84 31.140 32.470 -1.330 1
1 1077 . 8 1 1 A 84 84 LYS N N 84 113.797 116.366 -2.569 1
1 1078 . 8 1 1 A 85 85 VAL H H 85 7.290 7.466 -0.176 1
1 1079 . 8 1 1 A 85 85 VAL HA H 85 4.230 4.394 -0.164 1
1 1087 . 8 1 1 A 85 85 VAL C C 85 173.934 175.992 -2.058 1
1 1088 . 8 1 1 A 85 85 VAL CA C 85 63.300 61.643 1.657 1
1 1089 . 8 1 1 A 85 85 VAL CB C 85 32.320 33.057 -0.737 1
1 1092 . 8 1 1 A 85 85 VAL N N 85 118.733 120.196 -1.463 1
1 1093 . 8 1 1 A 86 86 VAL H H 86 9.093 9.125 -0.032 1
1 1094 . 8 1 1 A 86 86 VAL HA H 86 4.165 4.460 -0.295 1
1 1102 . 8 1 1 A 86 86 VAL C C 86 173.235 175.989 -2.754 1
1 1103 . 8 1 1 A 86 86 VAL CA C 86 62.144 62.215 -0.071 1
1 1104 . 8 1 1 A 86 86 VAL CB C 86 33.397 33.374 0.023 1
1 1107 . 8 1 1 A 86 86 VAL N N 86 125.341 123.826 1.515 1
1 1108 . 8 1 1 A 87 87 GLN H H 87 7.727 7.451 0.276 1
1 1109 . 8 1 1 A 87 87 GLN HA H 87 4.437 4.913 -0.476 1
1 1114 . 8 1 1 A 87 87 GLN C C 87 170.954 174.118 -3.164 1
1 1115 . 8 1 1 A 87 87 GLN CA C 87 56.370 55.414 0.956 1
1 1116 . 8 1 1 A 87 87 GLN CB C 87 32.420 32.217 0.203 1
1 1118 . 8 1 1 A 87 87 GLN N N 87 119.469 120.433 -0.964 1
1 1119 . 8 1 1 A 88 88 THR H H 88 8.087 8.970 -0.883 1
1 1120 . 8 1 1 A 88 88 THR HA H 88 4.857 5.462 -0.605 1
1 1125 . 8 1 1 A 88 88 THR CA C 88 61.850 60.497 1.353 1
1 1126 . 8 1 1 A 88 88 THR CB C 88 69.900 70.709 -0.809 1
1 1128 . 8 1 1 A 88 88 THR N N 88 119.679 116.443 3.236 1
1 1129 . 8 1 1 A 89 89 LEU HA H 89 4.851 5.150 -0.299 1
1 1139 . 8 1 1 A 89 89 LEU C C 89 174.211 176.913 -2.702 1
1 1140 . 8 1 1 A 89 89 LEU CA C 89 54.590 53.438 1.152 1
1 1141 . 8 1 1 A 89 89 LEU CB C 89 44.176 42.473 1.703 1
1 1145 . 8 1 1 A 90 90 GLY H H 90 8.697 9.101 -0.404 1
1 1146 . 8 1 1 A 90 90 GLY HA2 H 90 4.181 4.368 -0.187 1
1 1147 . 8 1 1 A 90 90 GLY HA3 H 90 4.267 4.670 -0.403 1
1 1148 . 8 1 1 A 90 90 GLY C C 90 170.516 173.407 -2.891 1
1 1149 . 8 1 1 A 90 90 GLY CA C 90 45.810 46.167 -0.357 1
1 1150 . 8 1 1 A 90 90 GLY N N 90 109.859 114.281 -4.422 1
1 1 . 9 1 1 A 2 2 GLY HA2 H 2 3.721 3.895 -0.174 1
1 2 . 9 1 1 A 2 2 GLY HA3 H 2 3.721 3.906 -0.185 1
1 3 . 9 1 1 A 2 2 GLY CA C 2 43.440 47.358 -3.918 1
1 4 . 9 1 1 A 3 3 HIS HA H 3 4.602 4.964 -0.362 1
1 9 . 9 1 1 A 3 3 HIS C C 3 172.383 175.249 -2.866 1
1 10 . 9 1 1 A 3 3 HIS CA C 3 56.270 54.752 1.518 1
1 11 . 9 1 1 A 3 3 HIS CB C 3 30.850 30.697 0.153 1
1 14 . 9 1 1 A 4 4 MET H H 4 8.397 8.486 -0.089 1
1 15 . 9 1 1 A 4 4 MET HA H 4 4.720 4.336 0.384 1
1 23 . 9 1 1 A 4 4 MET CA C 4 53.410 55.109 -1.699 1
1 24 . 9 1 1 A 4 4 MET CB C 4 32.550 32.081 0.469 1
1 27 . 9 1 1 A 4 4 MET N N 4 123.715 126.837 -3.122 1
1 28 . 9 1 1 A 5 5 PRO HA H 5 4.340 4.287 0.053 1
1 35 . 9 1 1 A 5 5 PRO C C 5 174.369 176.561 -2.192 1
1 36 . 9 1 1 A 5 5 PRO CA C 5 63.686 65.124 -1.438 1
1 37 . 9 1 1 A 5 5 PRO CB C 5 32.430 31.605 0.825 1
1 40 . 9 1 1 A 6 6 SER H H 6 8.337 8.336 0.001 1
1 41 . 9 1 1 A 6 6 SER HA H 6 4.299 4.488 -0.189 1
1 44 . 9 1 1 A 6 6 SER C C 6 171.770 174.236 -2.466 1
1 45 . 9 1 1 A 6 6 SER CA C 6 58.800 59.867 -1.067 1
1 46 . 9 1 1 A 6 6 SER CB C 6 63.896 62.544 1.352 1
1 47 . 9 1 1 A 6 6 SER N N 6 115.479 113.983 1.496 1
1 48 . 9 1 1 A 7 7 ASP H H 7 8.269 9.044 -0.775 1
1 49 . 9 1 1 A 7 7 ASP HA H 7 4.545 4.473 0.072 1
1 52 . 9 1 1 A 7 7 ASP C C 7 173.646 176.636 -2.990 1
1 53 . 9 1 1 A 7 7 ASP CA C 7 54.571 56.847 -2.276 1
1 54 . 9 1 1 A 7 7 ASP CB C 7 41.353 40.599 0.754 1
1 55 . 9 1 1 A 7 7 ASP N N 7 122.367 127.701 -5.334 1
1 56 . 9 1 1 A 8 8 SER H H 8 8.126 7.780 0.346 1
1 57 . 9 1 1 A 8 8 SER HA H 8 4.337 4.351 -0.014 1
1 60 . 9 1 1 A 8 8 SER C C 8 171.792 173.747 -1.955 1
1 61 . 9 1 1 A 8 8 SER CA C 8 58.950 59.867 -0.917 1
1 62 . 9 1 1 A 8 8 SER CB C 8 64.140 63.323 0.817 1
1 63 . 9 1 1 A 8 8 SER N N 8 116.038 115.397 0.641 1
1 64 . 9 1 1 A 9 9 LYS H H 9 8.400 8.334 0.066 1
1 65 . 9 1 1 A 9 9 LYS HA H 9 4.225 4.252 -0.027 1
1 74 . 9 1 1 A 9 9 LYS C C 9 173.626 177.143 -3.517 1
1 75 . 9 1 1 A 9 9 LYS CA C 9 56.391 57.285 -0.894 1
1 76 . 9 1 1 A 9 9 LYS CB C 9 32.970 32.845 0.125 1
1 80 . 9 1 1 A 9 9 LYS N N 9 122.400 125.474 -3.074 1
1 81 . 9 1 1 A 10 10 LYS H H 10 8.180 8.565 -0.385 1
1 82 . 9 1 1 A 10 10 LYS HA H 10 4.493 4.381 0.112 1
1 91 . 9 1 1 A 10 10 LYS CA C 10 54.500 54.662 -0.162 1
1 92 . 9 1 1 A 10 10 LYS CB C 10 32.750 32.366 0.384 1
1 96 . 9 1 1 A 10 10 LYS N N 10 123.900 123.484 0.416 1
1 97 . 9 1 1 A 11 11 PRO HA H 11 4.404 4.389 0.015 1
1 104 . 9 1 1 A 11 11 PRO C C 11 174.099 176.941 -2.842 1
1 105 . 9 1 1 A 11 11 PRO CA C 11 63.451 63.284 0.167 1
1 106 . 9 1 1 A 11 11 PRO CB C 11 32.405 31.604 0.801 1
1 109 . 9 1 1 A 12 12 THR H H 12 8.277 8.371 -0.094 1
1 110 . 9 1 1 A 12 12 THR HA H 12 4.156 4.349 -0.193 1
1 115 . 9 1 1 A 12 12 THR C C 12 171.255 174.418 -3.163 1
1 116 . 9 1 1 A 12 12 THR CA C 12 62.829 63.331 -0.502 1
1 117 . 9 1 1 A 12 12 THR CB C 12 70.113 68.679 1.434 1
1 119 . 9 1 1 A 12 12 THR N N 12 116.775 118.200 -1.425 1
1 120 . 9 1 1 A 13 13 ILE H H 13 8.141 8.757 -0.616 1
1 121 . 9 1 1 A 13 13 ILE HA H 13 3.880 4.250 -0.370 1
1 131 . 9 1 1 A 13 13 ILE C C 13 171.936 175.901 -3.965 1
1 132 . 9 1 1 A 13 13 ILE CA C 13 61.000 61.121 -0.121 1
1 133 . 9 1 1 A 13 13 ILE CB C 13 38.957 38.005 0.952 1
1 137 . 9 1 1 A 13 13 ILE N N 13 126.554 127.869 -1.315 1
1 138 . 9 1 1 A 14 14 ILE H H 14 7.890 8.530 -0.640 1
1 139 . 9 1 1 A 14 14 ILE HA H 14 4.045 4.375 -0.330 1
1 149 . 9 1 1 A 14 14 ILE C C 14 171.624 175.114 -3.490 1
1 150 . 9 1 1 A 14 14 ILE CA C 14 60.132 61.142 -1.010 1
1 151 . 9 1 1 A 14 14 ILE CB C 14 38.760 37.612 1.148 1
1 155 . 9 1 1 A 14 14 ILE N N 14 127.503 128.416 -0.913 1
1 156 . 9 1 1 A 15 15 TYR H H 15 8.185 8.950 -0.765 1
1 165 . 9 1 1 A 15 15 TYR N N 15 123.664 127.550 -3.886 1
1 166 . 9 1 1 A 16 16 PRO HA H 16 5.087 5.198 -0.111 1
1 173 . 9 1 1 A 16 16 PRO C C 16 172.702 174.985 -2.283 1
1 174 . 9 1 1 A 16 16 PRO CA C 16 62.891 62.433 0.458 1
1 175 . 9 1 1 A 16 16 PRO CB C 16 36.288 33.071 3.217 1
1 178 . 9 1 1 A 17 17 CYS H H 17 8.579 8.595 -0.016 1
1 179 . 9 1 1 A 17 17 CYS HA H 17 4.924 4.927 -0.003 1
1 182 . 9 1 1 A 17 17 CYS C C 17 169.725 173.659 -3.934 1
1 183 . 9 1 1 A 17 17 CYS CA C 17 55.925 58.156 -2.231 1
1 184 . 9 1 1 A 17 17 CYS CB C 17 31.200 31.790 -0.590 1
1 185 . 9 1 1 A 17 17 CYS N N 17 114.797 119.083 -4.286 1
1 186 . 9 1 1 A 18 18 LEU H H 18 8.449 8.623 -0.174 1
1 187 . 9 1 1 A 18 18 LEU HA H 18 4.336 4.821 -0.485 1
1 197 . 9 1 1 A 18 18 LEU C C 18 172.529 175.693 -3.164 1
1 198 . 9 1 1 A 18 18 LEU CA C 18 55.600 53.882 1.718 1
1 199 . 9 1 1 A 18 18 LEU CB C 18 42.550 41.406 1.144 1
1 203 . 9 1 1 A 18 18 LEU N N 18 122.242 123.965 -1.723 1
1 204 . 9 1 1 A 19 19 TRP H H 19 9.079 9.104 -0.025 1
1 205 . 9 1 1 A 19 19 TRP HA H 19 4.300 4.989 -0.689 1
1 214 . 9 1 1 A 19 19 TRP C C 19 170.195 175.116 -4.921 1
1 215 . 9 1 1 A 19 19 TRP CA C 19 56.750 56.310 0.440 1
1 216 . 9 1 1 A 19 19 TRP CB C 19 33.935 31.869 2.066 1
1 222 . 9 1 1 A 19 19 TRP N N 19 130.082 127.862 2.220 1
1 224 . 9 1 1 A 20 20 ASP H H 20 6.314 8.354 -2.040 1
1 225 . 9 1 1 A 20 20 ASP HA H 20 5.559 5.814 -0.255 1
1 228 . 9 1 1 A 20 20 ASP C C 20 172.285 174.421 -2.136 1
1 229 . 9 1 1 A 20 20 ASP CA C 20 52.900 52.532 0.368 1
1 230 . 9 1 1 A 20 20 ASP CB C 20 43.450 42.358 1.092 1
1 231 . 9 1 1 A 20 20 ASP N N 20 122.801 124.687 -1.886 1
1 232 . 9 1 1 A 21 21 TYR H H 21 9.519 9.584 -0.065 1
1 233 . 9 1 1 A 21 21 TYR HA H 21 4.975 5.338 -0.363 1
1 240 . 9 1 1 A 21 21 TYR C C 21 172.202 174.828 -2.626 1
1 241 . 9 1 1 A 21 21 TYR CA C 21 56.910 56.597 0.313 1
1 242 . 9 1 1 A 21 21 TYR CB C 21 40.850 40.362 0.488 1
1 247 . 9 1 1 A 21 21 TYR N N 21 120.749 121.824 -1.075 1
1 248 . 9 1 1 A 22 22 ARG H H 22 8.758 8.575 0.183 1
1 249 . 9 1 1 A 22 22 ARG HA H 22 5.189 4.801 0.388 1
1 256 . 9 1 1 A 22 22 ARG C C 22 172.210 175.196 -2.986 1
1 257 . 9 1 1 A 22 22 ARG CA C 22 55.180 56.335 -1.155 1
1 258 . 9 1 1 A 22 22 ARG CB C 22 31.360 30.857 0.503 1
1 261 . 9 1 1 A 22 22 ARG N N 22 124.405 125.919 -1.514 1
1 262 . 9 1 1 A 23 23 VAL H H 23 9.170 9.250 -0.080 1
1 263 . 9 1 1 A 23 23 VAL HA H 23 4.591 4.714 -0.123 1
1 271 . 9 1 1 A 23 23 VAL C C 23 171.354 175.078 -3.724 1
1 272 . 9 1 1 A 23 23 VAL CA C 23 61.836 61.799 0.037 1
1 273 . 9 1 1 A 23 23 VAL CB C 23 35.725 32.744 2.981 1
1 276 . 9 1 1 A 23 23 VAL N N 23 125.900 127.584 -1.684 1
1 277 . 9 1 1 A 24 24 ILE H H 24 8.919 9.273 -0.354 1
1 278 . 9 1 1 A 24 24 ILE HA H 24 5.119 5.262 -0.143 1
1 288 . 9 1 1 A 24 24 ILE C C 24 173.492 175.026 -1.534 1
1 289 . 9 1 1 A 24 24 ILE CA C 24 60.567 60.780 -0.213 1
1 290 . 9 1 1 A 24 24 ILE CB C 24 38.346 37.993 0.353 1
1 294 . 9 1 1 A 24 24 ILE N N 24 127.789 129.005 -1.216 1
1 295 . 9 1 1 A 25 25 MET H H 25 9.857 8.991 0.866 1
1 296 . 9 1 1 A 25 25 MET HA H 25 6.017 5.056 0.961 1
1 304 . 9 1 1 A 25 25 MET C C 25 174.379 177.160 -2.781 1
1 305 . 9 1 1 A 25 25 MET CA C 25 54.898 54.419 0.479 1
1 306 . 9 1 1 A 25 25 MET CB C 25 40.260 35.781 4.479 1
1 309 . 9 1 1 A 25 25 MET N N 25 124.403 126.995 -2.592 1
1 310 . 9 1 1 A 26 26 THR H H 26 8.843 8.672 0.171 1
1 311 . 9 1 1 A 26 26 THR HA H 26 4.875 4.817 0.058 1
1 316 . 9 1 1 A 26 26 THR C C 26 170.849 174.347 -3.498 1
1 317 . 9 1 1 A 26 26 THR CA C 26 61.826 62.258 -0.432 1
1 318 . 9 1 1 A 26 26 THR CB C 26 68.846 69.129 -0.283 1
1 320 . 9 1 1 A 26 26 THR N N 26 108.669 113.013 -4.344 1
1 321 . 9 1 1 A 27 27 THR H H 27 7.342 7.873 -0.531 1
1 322 . 9 1 1 A 27 27 THR HA H 27 4.618 4.937 -0.319 1
1 327 . 9 1 1 A 27 27 THR C C 27 166.898 173.435 -6.537 1
1 328 . 9 1 1 A 27 27 THR CA C 27 58.657 60.031 -1.374 1
1 329 . 9 1 1 A 27 27 THR CB C 27 69.696 70.983 -1.287 1
1 331 . 9 1 1 A 27 27 THR N N 27 114.866 115.510 -0.644 1
1 332 . 9 1 1 A 28 28 LYS H H 28 7.638 8.762 -1.124 1
1 333 . 9 1 1 A 28 28 LYS HA H 28 3.991 4.772 -0.781 1
1 342 . 9 1 1 A 28 28 LYS C C 28 173.190 176.419 -3.229 1
1 343 . 9 1 1 A 28 28 LYS CA C 28 55.731 56.393 -0.662 1
1 344 . 9 1 1 A 28 28 LYS CB C 28 32.790 32.145 0.645 1
1 348 . 9 1 1 A 28 28 LYS N N 28 121.283 124.928 -3.645 1
1 349 . 9 1 1 A 29 29 ASP H H 29 8.184 7.655 0.529 1
1 350 . 9 1 1 A 29 29 ASP HA H 29 4.401 4.587 -0.186 1
1 353 . 9 1 1 A 29 29 ASP C C 29 173.830 174.674 -0.844 1
1 354 . 9 1 1 A 29 29 ASP CA C 29 53.979 52.956 1.023 1
1 355 . 9 1 1 A 29 29 ASP CB C 29 40.730 39.484 1.246 1
1 356 . 9 1 1 A 29 29 ASP N N 29 120.231 122.722 -2.491 1
1 357 . 9 1 1 A 30 30 THR H H 30 7.830 8.656 -0.826 1
1 358 . 9 1 1 A 30 30 THR HA H 30 3.742 4.617 -0.875 1
1 363 . 9 1 1 A 30 30 THR C C 30 172.987 173.820 -0.833 1
1 364 . 9 1 1 A 30 30 THR CA C 30 61.299 60.282 1.017 1
1 365 . 9 1 1 A 30 30 THR CB C 30 69.294 68.209 1.085 1
1 367 . 9 1 1 A 30 30 THR N N 30 115.459 120.789 -5.330 1
1 368 . 9 1 1 A 31 31 SER H H 31 8.561 8.439 0.122 1
1 369 . 9 1 1 A 31 31 SER HA H 31 3.875 4.588 -0.713 1
1 372 . 9 1 1 A 31 31 SER CA C 31 63.520 58.553 4.967 1
1 373 . 9 1 1 A 31 31 SER CB C 31 62.332 63.951 -1.619 1
1 374 . 9 1 1 A 31 31 SER N N 31 119.763 121.385 -1.622 1
1 375 . 9 1 1 A 32 32 THR HA H 32 3.961 3.919 0.042 1
1 380 . 9 1 1 A 32 32 THR C C 32 173.850 176.118 -2.268 1
1 381 . 9 1 1 A 32 32 THR CA C 32 65.447 66.781 -1.334 1
1 382 . 9 1 1 A 32 32 THR CB C 32 68.715 68.687 0.028 1
1 384 . 9 1 1 A 33 33 LEU H H 33 7.209 8.109 -0.900 1
1 385 . 9 1 1 A 33 33 LEU HA H 33 3.950 3.932 0.018 1
1 395 . 9 1 1 A 33 33 LEU C C 33 174.505 178.804 -4.299 1
1 396 . 9 1 1 A 33 33 LEU CA C 33 57.653 58.121 -0.468 1
1 397 . 9 1 1 A 33 33 LEU CB C 33 42.210 41.731 0.479 1
1 401 . 9 1 1 A 33 33 LEU N N 33 125.158 121.610 3.548 1
1 402 . 9 1 1 A 34 34 LYS H H 34 8.671 7.897 0.774 1
1 403 . 9 1 1 A 34 34 LYS HA H 34 3.552 3.783 -0.231 1
1 412 . 9 1 1 A 34 34 LYS C C 34 174.794 179.950 -5.156 1
1 413 . 9 1 1 A 34 34 LYS CA C 34 61.226 59.980 1.246 1
1 414 . 9 1 1 A 34 34 LYS CB C 34 32.880 32.241 0.639 1
1 418 . 9 1 1 A 34 34 LYS N N 34 119.112 119.075 0.037 1
1 419 . 9 1 1 A 35 35 GLU H H 35 7.813 8.076 -0.263 1
1 420 . 9 1 1 A 35 35 GLU HA H 35 3.863 4.007 -0.144 1
1 425 . 9 1 1 A 35 35 GLU C C 35 176.222 179.002 -2.780 1
1 426 . 9 1 1 A 35 35 GLU CA C 35 59.721 59.131 0.590 1
1 427 . 9 1 1 A 35 35 GLU CB C 35 29.898 29.185 0.713 1
1 429 . 9 1 1 A 35 35 GLU N N 35 116.554 120.335 -3.781 1
1 430 . 9 1 1 A 36 36 LEU H H 36 7.153 7.561 -0.408 1
1 431 . 9 1 1 A 36 36 LEU HA H 36 4.175 3.933 0.242 1
1 441 . 9 1 1 A 36 36 LEU C C 36 177.281 178.966 -1.685 1
1 442 . 9 1 1 A 36 36 LEU CA C 36 58.018 58.006 0.012 1
1 443 . 9 1 1 A 36 36 LEU CB C 36 41.720 41.161 0.559 1
1 447 . 9 1 1 A 36 36 LEU N N 36 119.071 118.781 0.290 1
1 448 . 9 1 1 A 37 37 LEU H H 37 8.245 7.506 0.739 1
1 449 . 9 1 1 A 37 37 LEU HA H 37 3.749 3.959 -0.210 1
1 459 . 9 1 1 A 37 37 LEU C C 37 177.903 179.674 -1.771 1
1 460 . 9 1 1 A 37 37 LEU CA C 37 58.278 58.131 0.147 1
1 461 . 9 1 1 A 37 37 LEU CB C 37 39.600 39.926 -0.326 1
1 465 . 9 1 1 A 37 37 LEU N N 37 121.326 118.988 2.338 1
1 466 . 9 1 1 A 38 38 GLU H H 38 8.641 8.355 0.286 1
1 467 . 9 1 1 A 38 38 GLU HA H 38 4.320 4.286 0.034 1
1 472 . 9 1 1 A 38 38 GLU C C 38 177.074 179.386 -2.312 1
1 473 . 9 1 1 A 38 38 GLU CA C 38 59.619 59.541 0.078 1
1 474 . 9 1 1 A 38 38 GLU CB C 38 29.850 28.956 0.894 1
1 476 . 9 1 1 A 38 38 GLU N N 38 119.504 119.118 0.386 1
1 477 . 9 1 1 A 39 39 THR H H 39 7.653 7.572 0.081 1
1 478 . 9 1 1 A 39 39 THR HA H 39 4.097 3.977 0.120 1
1 483 . 9 1 1 A 39 39 THR C C 39 173.229 175.760 -2.531 1
1 484 . 9 1 1 A 39 39 THR CA C 39 65.080 65.160 -0.080 1
1 485 . 9 1 1 A 39 39 THR CB C 39 69.952 68.160 1.792 1
1 487 . 9 1 1 A 39 39 THR N N 39 110.838 113.126 -2.288 1
1 488 . 9 1 1 A 40 40 TYR H H 40 7.478 7.272 0.206 1
1 489 . 9 1 1 A 40 40 TYR HA H 40 4.073 4.679 -0.606 1
1 496 . 9 1 1 A 40 40 TYR C C 40 172.486 174.983 -2.497 1
1 497 . 9 1 1 A 40 40 TYR CA C 40 61.549 56.848 4.701 1
1 498 . 9 1 1 A 40 40 TYR CB C 40 37.140 37.908 -0.768 1
1 503 . 9 1 1 A 40 40 TYR N N 40 118.654 120.530 -1.876 1
1 504 . 9 1 1 A 41 41 GLN H H 41 7.901 8.169 -0.268 1
1 505 . 9 1 1 A 41 41 GLN HA H 41 3.963 3.942 0.021 1
1 512 . 9 1 1 A 41 41 GLN C C 41 171.223 174.150 -2.927 1
1 513 . 9 1 1 A 41 41 GLN CA C 41 57.158 57.233 -0.075 1
1 514 . 9 1 1 A 41 41 GLN CB C 41 27.330 26.424 0.906 1
1 516 . 9 1 1 A 41 41 GLN N N 41 116.315 116.075 0.240 1
1 518 . 9 1 1 A 42 42 ARG H H 42 8.493 7.901 0.592 1
1 519 . 9 1 1 A 42 42 ARG HA H 42 5.052 5.010 0.042 1
1 527 . 9 1 1 A 42 42 ARG CA C 42 54.040 53.921 0.119 1
1 528 . 9 1 1 A 42 42 ARG CB C 42 30.650 31.806 -1.156 1
1 531 . 9 1 1 A 42 42 ARG N N 42 115.494 115.719 -0.225 1
1 533 . 9 1 1 A 43 43 PRO HA H 43 4.390 4.974 -0.584 1
1 540 . 9 1 1 A 43 43 PRO C C 43 172.836 176.750 -3.914 1
1 541 . 9 1 1 A 43 43 PRO CA C 43 63.574 62.527 1.047 1
1 542 . 9 1 1 A 43 43 PRO CB C 43 32.500 32.929 -0.429 1
1 545 . 9 1 1 A 44 44 PHE H H 44 7.742 8.811 -1.069 1
1 546 . 9 1 1 A 44 44 PHE HA H 44 5.281 5.420 -0.139 1
1 554 . 9 1 1 A 44 44 PHE C C 44 170.840 172.153 -1.313 1
1 555 . 9 1 1 A 44 44 PHE CA C 44 56.174 56.091 0.083 1
1 556 . 9 1 1 A 44 44 PHE CB C 44 42.280 41.971 0.309 1
1 562 . 9 1 1 A 44 44 PHE N N 44 115.046 118.721 -3.675 1
1 563 . 9 1 1 A 45 45 LYS H H 45 8.944 9.043 -0.099 1
1 564 . 9 1 1 A 45 45 LYS HA H 45 4.641 5.010 -0.369 1
1 573 . 9 1 1 A 45 45 LYS C C 45 171.934 174.350 -2.416 1
1 574 . 9 1 1 A 45 45 LYS CA C 45 55.210 54.672 0.538 1
1 575 . 9 1 1 A 45 45 LYS CB C 45 35.600 35.309 0.291 1
1 579 . 9 1 1 A 45 45 LYS N N 45 121.090 121.038 0.052 1
1 580 . 9 1 1 A 46 46 LEU H H 46 8.897 8.972 -0.075 1
1 581 . 9 1 1 A 46 46 LEU HA H 46 5.332 5.207 0.125 1
1 590 . 9 1 1 A 46 46 LEU C C 46 172.666 174.980 -2.314 1
1 591 . 9 1 1 A 46 46 LEU CA C 46 54.510 53.992 0.518 1
1 592 . 9 1 1 A 46 46 LEU CB C 46 44.620 44.353 0.267 1
1 595 . 9 1 1 A 46 46 LEU N N 46 128.615 129.362 -0.747 1
1 596 . 9 1 1 A 47 47 GLU H H 47 9.220 9.184 0.036 1
1 597 . 9 1 1 A 47 47 GLU HA H 47 4.911 5.108 -0.197 1
1 602 . 9 1 1 A 47 47 GLU C C 47 172.392 174.759 -2.367 1
1 603 . 9 1 1 A 47 47 GLU CA C 47 54.980 54.534 0.446 1
1 604 . 9 1 1 A 47 47 GLU CB C 47 34.490 33.469 1.021 1
1 606 . 9 1 1 A 47 47 GLU N N 47 125.300 125.960 -0.660 1
1 607 . 9 1 1 A 48 48 PHE H H 48 9.157 9.147 0.010 1
1 608 . 9 1 1 A 48 48 PHE HA H 48 4.302 4.862 -0.560 1
1 616 . 9 1 1 A 48 48 PHE C C 48 171.971 174.168 -2.197 1
1 617 . 9 1 1 A 48 48 PHE CA C 48 58.240 56.954 1.286 1
1 618 . 9 1 1 A 48 48 PHE CB C 48 39.410 39.863 -0.453 1
1 624 . 9 1 1 A 48 48 PHE N N 48 126.911 124.601 2.310 1
1 625 . 9 1 1 A 49 49 LYS H H 49 8.256 8.682 -0.426 1
1 626 . 9 1 1 A 49 49 LYS HA H 49 4.176 4.181 -0.005 1
1 635 . 9 1 1 A 49 49 LYS C C 49 172.030 176.295 -4.265 1
1 636 . 9 1 1 A 49 49 LYS CA C 49 55.244 57.966 -2.722 1
1 637 . 9 1 1 A 49 49 LYS CB C 49 32.640 32.631 0.009 1
1 641 . 9 1 1 A 49 49 LYS N N 49 127.526 127.205 0.321 1
1 642 . 9 1 1 A 50 50 ASN H H 50 7.062 6.938 0.124 1
1 643 . 9 1 1 A 50 50 ASN HA H 50 4.353 5.029 -0.676 1
1 648 . 9 1 1 A 50 50 ASN C C 50 171.278 172.636 -1.358 1
1 649 . 9 1 1 A 50 50 ASN CA C 50 53.807 51.729 2.078 1
1 650 . 9 1 1 A 50 50 ASN CB C 50 40.460 43.526 -3.066 1
1 651 . 9 1 1 A 50 50 ASN N N 50 115.764 114.361 1.403 1
1 653 . 9 1 1 A 51 51 THR H H 51 8.217 8.640 -0.423 1
1 654 . 9 1 1 A 51 51 THR HA H 51 4.685 5.258 -0.573 1
1 659 . 9 1 1 A 51 51 THR C C 51 171.816 171.985 -0.169 1
1 660 . 9 1 1 A 51 51 THR CA C 51 61.243 60.181 1.062 1
1 661 . 9 1 1 A 51 51 THR CB C 51 70.632 72.147 -1.515 1
1 663 . 9 1 1 A 51 51 THR N N 51 114.341 114.839 -0.498 1
1 664 . 9 1 1 A 52 52 SER H H 52 8.314 8.596 -0.282 1
1 665 . 9 1 1 A 52 52 SER HA H 52 4.395 4.565 -0.170 1
1 668 . 9 1 1 A 52 52 SER CA C 52 58.470 58.801 -0.331 1
1 669 . 9 1 1 A 52 52 SER CB C 52 64.580 63.827 0.753 1
1 670 . 9 1 1 A 52 52 SER N N 52 118.503 120.795 -2.292 1
1 671 . 9 1 1 A 54 54 ASN HA H 54 4.484 4.658 -0.174 1
1 676 . 9 1 1 A 54 54 ASN C C 54 171.753 174.981 -3.228 1
1 677 . 9 1 1 A 54 54 ASN CA C 54 53.296 52.177 1.119 1
1 678 . 9 1 1 A 54 54 ASN CB C 54 38.080 37.835 0.245 1
1 680 . 9 1 1 A 55 55 ALA H H 55 7.927 8.028 -0.101 1
1 681 . 9 1 1 A 55 55 ALA HA H 55 3.759 4.005 -0.246 1
1 685 . 9 1 1 A 55 55 ALA C C 55 173.386 176.986 -3.600 1
1 686 . 9 1 1 A 55 55 ALA CA C 55 53.266 53.268 -0.002 1
1 687 . 9 1 1 A 55 55 ALA CB C 55 18.180 18.149 0.031 1
1 688 . 9 1 1 A 55 55 ALA N N 55 120.429 119.956 0.473 1
1 689 . 9 1 1 A 56 56 LYS H H 56 7.426 7.384 0.042 1
1 690 . 9 1 1 A 56 56 LYS HA H 56 3.919 3.784 0.135 1
1 702 . 9 1 1 A 56 56 LYS C C 56 172.612 175.773 -3.161 1
1 703 . 9 1 1 A 56 56 LYS CA C 56 57.113 57.939 -0.826 1
1 704 . 9 1 1 A 56 56 LYS CB C 56 33.566 32.824 0.742 1
1 708 . 9 1 1 A 56 56 LYS N N 56 116.392 117.539 -1.147 1
1 710 . 9 1 1 A 57 57 PHE H H 57 7.253 7.648 -0.395 1
1 711 . 9 1 1 A 57 57 PHE HA H 57 5.062 5.069 -0.007 1
1 719 . 9 1 1 A 57 57 PHE C C 57 171.527 173.481 -1.954 1
1 720 . 9 1 1 A 57 57 PHE CA C 57 54.920 56.221 -1.301 1
1 721 . 9 1 1 A 57 57 PHE CB C 57 41.910 40.663 1.247 1
1 727 . 9 1 1 A 57 57 PHE N N 57 113.835 116.447 -2.612 1
1 728 . 9 1 1 A 58 58 TYR H H 58 9.172 9.357 -0.185 1
1 729 . 9 1 1 A 58 58 TYR HA H 58 4.746 5.136 -0.390 1
1 736 . 9 1 1 A 58 58 TYR C C 58 171.294 175.043 -3.749 1
1 737 . 9 1 1 A 58 58 TYR CA C 58 57.770 57.179 0.591 1
1 738 . 9 1 1 A 58 58 TYR CB C 58 41.784 40.053 1.731 1
1 743 . 9 1 1 A 58 58 TYR N N 58 121.139 123.720 -2.581 1
1 744 . 9 1 1 A 59 59 SER H H 59 8.786 8.928 -0.142 1
1 745 . 9 1 1 A 59 59 SER HA H 59 5.399 4.819 0.580 1
1 748 . 9 1 1 A 59 59 SER C C 59 170.105 173.596 -3.491 1
1 749 . 9 1 1 A 59 59 SER CA C 59 57.650 58.357 -0.707 1
1 750 . 9 1 1 A 59 59 SER CB C 59 65.220 63.702 1.518 1
1 751 . 9 1 1 A 59 59 SER N N 59 118.511 121.008 -2.497 1
1 752 . 9 1 1 A 60 60 PHE H H 60 9.389 9.717 -0.328 1
1 753 . 9 1 1 A 60 60 PHE HA H 60 5.210 5.414 -0.204 1
1 761 . 9 1 1 A 60 60 PHE C C 60 172.188 174.674 -2.486 1
1 762 . 9 1 1 A 60 60 PHE CA C 60 56.824 56.526 0.298 1
1 763 . 9 1 1 A 60 60 PHE CB C 60 43.645 42.350 1.295 1
1 769 . 9 1 1 A 60 60 PHE N N 60 121.864 126.159 -4.295 1
1 770 . 9 1 1 A 61 61 ASN H H 61 9.448 9.227 0.221 1
1 771 . 9 1 1 A 61 61 ASN HA H 61 5.564 5.633 -0.069 1
1 776 . 9 1 1 A 61 61 ASN C C 61 171.756 173.990 -2.234 1
1 777 . 9 1 1 A 61 61 ASN CA C 61 53.012 52.187 0.825 1
1 778 . 9 1 1 A 61 61 ASN CB C 61 42.580 42.093 0.487 1
1 779 . 9 1 1 A 61 61 ASN N N 61 121.107 119.238 1.869 1
1 781 . 9 1 1 A 62 62 VAL H H 62 9.361 9.428 -0.067 1
1 782 . 9 1 1 A 62 62 VAL HA H 62 5.159 5.516 -0.357 1
1 790 . 9 1 1 A 62 62 VAL C C 62 171.964 174.834 -2.870 1
1 791 . 9 1 1 A 62 62 VAL CA C 62 60.991 61.313 -0.322 1
1 792 . 9 1 1 A 62 62 VAL CB C 62 35.350 33.641 1.709 1
1 795 . 9 1 1 A 62 62 VAL N N 62 126.781 126.215 0.566 1
1 796 . 9 1 1 A 63 63 SER H H 63 8.750 8.948 -0.198 1
1 797 . 9 1 1 A 63 63 SER HA H 63 5.955 5.620 0.335 1
1 800 . 9 1 1 A 63 63 SER C C 63 171.905 173.634 -1.729 1
1 801 . 9 1 1 A 63 63 SER CA C 63 56.587 56.832 -0.245 1
1 802 . 9 1 1 A 63 63 SER CB C 63 65.231 64.380 0.851 1
1 803 . 9 1 1 A 63 63 SER N N 63 120.886 121.925 -1.039 1
1 804 . 9 1 1 A 64 64 MET H H 64 8.918 9.004 -0.086 1
1 805 . 9 1 1 A 64 64 MET HA H 64 4.622 5.315 -0.693 1
1 813 . 9 1 1 A 64 64 MET C C 64 170.352 175.104 -4.752 1
1 814 . 9 1 1 A 64 64 MET CA C 64 55.950 53.770 2.180 1
1 815 . 9 1 1 A 64 64 MET CB C 64 38.000 36.127 1.873 1
1 818 . 9 1 1 A 64 64 MET N N 64 123.839 122.268 1.571 1
1 819 . 9 1 1 A 65 65 GLU H H 65 9.213 8.503 0.710 1
1 820 . 9 1 1 A 65 65 GLU HA H 65 4.740 4.851 -0.111 1
1 825 . 9 1 1 A 65 65 GLU C C 65 172.659 176.606 -3.947 1
1 826 . 9 1 1 A 65 65 GLU CA C 65 57.547 56.888 0.659 1
1 827 . 9 1 1 A 65 65 GLU CB C 65 31.100 30.439 0.661 1
1 829 . 9 1 1 A 65 65 GLU N N 65 125.938 119.933 6.005 1
1 830 . 9 1 1 A 66 66 VAL H H 66 9.031 8.798 0.233 1
1 831 . 9 1 1 A 66 66 VAL HA H 66 4.632 4.772 -0.140 1
1 839 . 9 1 1 A 66 66 VAL C C 66 174.252 175.935 -1.683 1
1 840 . 9 1 1 A 66 66 VAL CA C 66 59.454 59.890 -0.436 1
1 841 . 9 1 1 A 66 66 VAL CB C 66 35.450 34.985 0.465 1
1 844 . 9 1 1 A 66 66 VAL N N 66 117.398 117.401 -0.003 1
1 845 . 9 1 1 A 67 67 SER H H 67 9.309 9.117 0.192 1
1 846 . 9 1 1 A 67 67 SER HA H 67 4.185 4.625 -0.440 1
1 849 . 9 1 1 A 67 67 SER C C 67 170.646 174.580 -3.934 1
1 850 . 9 1 1 A 67 67 SER CA C 67 61.719 59.575 2.144 1
1 851 . 9 1 1 A 67 67 SER CB C 67 64.540 64.331 0.209 1
1 852 . 9 1 1 A 67 67 SER N N 67 116.754 117.820 -1.066 1
1 853 . 9 1 1 A 68 68 ASN H H 68 7.279 7.648 -0.369 1
1 854 . 9 1 1 A 68 68 ASN HA H 68 3.345 4.521 -1.176 1
1 859 . 9 1 1 A 68 68 ASN C C 68 170.781 175.186 -4.405 1
1 860 . 9 1 1 A 68 68 ASN CA C 68 51.758 51.925 -0.167 1
1 861 . 9 1 1 A 68 68 ASN CB C 68 38.809 40.358 -1.549 1
1 862 . 9 1 1 A 68 68 ASN N N 68 110.062 114.516 -4.454 1
1 864 . 9 1 1 A 69 69 GLU H H 69 8.126 8.432 -0.306 1
1 865 . 9 1 1 A 69 69 GLU HA H 69 3.337 3.784 -0.447 1
1 870 . 9 1 1 A 69 69 GLU C C 69 174.537 177.504 -2.967 1
1 871 . 9 1 1 A 69 69 GLU CA C 69 59.749 59.125 0.624 1
1 872 . 9 1 1 A 69 69 GLU CB C 69 30.250 29.017 1.233 1
1 874 . 9 1 1 A 69 69 GLU N N 69 120.604 120.267 0.337 1
1 875 . 9 1 1 A 70 70 SER H H 70 7.981 7.913 0.068 1
1 876 . 9 1 1 A 70 70 SER HA H 70 4.030 4.038 -0.008 1
1 879 . 9 1 1 A 70 70 SER C C 70 174.715 176.960 -2.245 1
1 880 . 9 1 1 A 70 70 SER CA C 70 62.097 61.446 0.651 1
1 881 . 9 1 1 A 70 70 SER CB C 70 62.350 62.932 -0.582 1
1 882 . 9 1 1 A 70 70 SER N N 70 114.770 114.565 0.205 1
1 883 . 9 1 1 A 71 71 GLU H H 71 8.572 7.234 1.338 1
1 884 . 9 1 1 A 71 71 GLU HA H 71 3.927 4.199 -0.272 1
1 889 . 9 1 1 A 71 71 GLU C C 71 174.769 179.409 -4.640 1
1 890 . 9 1 1 A 71 71 GLU CA C 71 59.849 59.113 0.736 1
1 891 . 9 1 1 A 71 71 GLU CB C 71 30.950 29.613 1.337 1
1 893 . 9 1 1 A 71 71 GLU N N 71 124.163 121.757 2.406 1
1 894 . 9 1 1 A 72 72 ARG H H 72 7.797 7.643 0.154 1
1 895 . 9 1 1 A 72 72 ARG HA H 72 3.776 4.274 -0.498 1
1 900 . 9 1 1 A 72 72 ARG C C 72 177.552 178.381 -0.829 1
1 901 . 9 1 1 A 72 72 ARG CA C 72 58.680 58.787 -0.107 1
1 902 . 9 1 1 A 72 72 ARG CB C 72 30.110 29.803 0.307 1
1 905 . 9 1 1 A 72 72 ARG N N 72 118.396 120.511 -2.115 1
1 906 . 9 1 1 A 73 73 ASN H H 73 8.175 8.141 0.034 1
1 907 . 9 1 1 A 73 73 ASN HA H 73 4.461 4.602 -0.141 1
1 912 . 9 1 1 A 73 73 ASN C C 73 174.089 177.980 -3.891 1
1 913 . 9 1 1 A 73 73 ASN CA C 73 55.500 55.360 0.140 1
1 914 . 9 1 1 A 73 73 ASN CB C 73 37.844 38.749 -0.905 1
1 915 . 9 1 1 A 73 73 ASN N N 73 118.156 116.779 1.377 1
1 917 . 9 1 1 A 74 74 GLU H H 74 8.473 8.198 0.275 1
1 918 . 9 1 1 A 74 74 GLU HA H 74 3.954 4.052 -0.098 1
1 923 . 9 1 1 A 74 74 GLU C C 74 175.719 179.261 -3.542 1
1 924 . 9 1 1 A 74 74 GLU CA C 74 60.093 59.269 0.824 1
1 925 . 9 1 1 A 74 74 GLU CB C 74 30.460 29.591 0.869 1
1 927 . 9 1 1 A 74 74 GLU N N 74 124.825 120.051 4.774 1
1 928 . 9 1 1 A 75 75 ILE H H 75 8.273 8.361 -0.088 1
1 929 . 9 1 1 A 75 75 ILE HA H 75 3.229 3.610 -0.381 1
1 939 . 9 1 1 A 75 75 ILE C C 75 174.591 177.811 -3.220 1
1 940 . 9 1 1 A 75 75 ILE CA C 75 66.460 65.357 1.103 1
1 941 . 9 1 1 A 75 75 ILE CB C 75 38.262 37.465 0.797 1
1 945 . 9 1 1 A 75 75 ILE N N 75 120.282 120.065 0.217 1
1 946 . 9 1 1 A 76 76 PHE H H 76 7.233 8.327 -1.094 1
1 947 . 9 1 1 A 76 76 PHE HA H 76 3.600 4.051 -0.451 1
1 955 . 9 1 1 A 76 76 PHE C C 76 175.036 177.681 -2.645 1
1 956 . 9 1 1 A 76 76 PHE CA C 76 62.227 61.064 1.163 1
1 957 . 9 1 1 A 76 76 PHE CB C 76 40.170 39.507 0.663 1
1 963 . 9 1 1 A 76 76 PHE N N 76 117.265 119.730 -2.465 1
1 964 . 9 1 1 A 77 77 GLN H H 77 8.262 8.212 0.050 1
1 965 . 9 1 1 A 77 77 GLN HA H 77 3.753 3.910 -0.157 1
1 972 . 9 1 1 A 77 77 GLN C C 77 176.132 178.765 -2.633 1
1 973 . 9 1 1 A 77 77 GLN CA C 77 59.113 59.144 -0.031 1
1 974 . 9 1 1 A 77 77 GLN CB C 77 28.487 28.293 0.194 1
1 976 . 9 1 1 A 77 77 GLN N N 77 118.919 118.309 0.610 1
1 978 . 9 1 1 A 78 78 LYS H H 78 8.508 8.145 0.363 1
1 979 . 9 1 1 A 78 78 LYS HA H 78 3.804 4.072 -0.268 1
1 988 . 9 1 1 A 78 78 LYS C C 78 177.438 179.173 -1.735 1
1 989 . 9 1 1 A 78 78 LYS CA C 78 60.107 59.244 0.863 1
1 990 . 9 1 1 A 78 78 LYS CB C 78 33.160 32.693 0.467 1
1 994 . 9 1 1 A 78 78 LYS N N 78 119.345 119.356 -0.011 1
1 995 . 9 1 1 A 79 79 ILE H H 79 8.395 8.036 0.359 1
1 996 . 9 1 1 A 79 79 ILE HA H 79 3.182 3.731 -0.549 1
1 1006 . 9 1 1 A 79 79 ILE C C 79 174.721 177.087 -2.366 1
1 1007 . 9 1 1 A 79 79 ILE CA C 79 66.280 64.816 1.464 1
1 1008 . 9 1 1 A 79 79 ILE CB C 79 38.360 37.276 1.084 1
1 1012 . 9 1 1 A 79 79 ILE N N 79 120.117 120.757 -0.640 1
1 1013 . 9 1 1 A 80 80 SER H H 80 7.459 7.629 -0.170 1
1 1014 . 9 1 1 A 80 80 SER HA H 80 3.868 4.253 -0.385 1
1 1017 . 9 1 1 A 80 80 SER C C 80 171.998 175.330 -3.332 1
1 1018 . 9 1 1 A 80 80 SER CA C 80 61.444 59.901 1.543 1
1 1019 . 9 1 1 A 80 80 SER CB C 80 63.500 63.026 0.474 1
1 1020 . 9 1 1 A 80 80 SER N N 80 110.857 114.867 -4.010 1
1 1021 . 9 1 1 A 81 81 GLN H H 81 7.095 7.750 -0.655 1
1 1022 . 9 1 1 A 81 81 GLN HA H 81 4.143 4.208 -0.065 1
1 1029 . 9 1 1 A 81 81 GLN C C 81 173.743 176.838 -3.095 1
1 1030 . 9 1 1 A 81 81 GLN CA C 81 55.894 57.224 -1.330 1
1 1031 . 9 1 1 A 81 81 GLN CB C 81 29.390 28.088 1.302 1
1 1033 . 9 1 1 A 81 81 GLN N N 81 117.056 120.993 -3.937 1
1 1035 . 9 1 1 A 82 82 LEU H H 82 7.495 7.599 -0.104 1
1 1036 . 9 1 1 A 82 82 LEU HA H 82 4.064 4.158 -0.094 1
1 1046 . 9 1 1 A 82 82 LEU C C 82 175.685 176.634 -0.949 1
1 1047 . 9 1 1 A 82 82 LEU CA C 82 55.730 55.514 0.216 1
1 1048 . 9 1 1 A 82 82 LEU CB C 82 41.740 42.467 -0.727 1
1 1052 . 9 1 1 A 82 82 LEU N N 82 123.191 118.823 4.368 1
1 1053 . 9 1 1 A 83 83 ASP H H 83 8.330 7.753 0.577 1
1 1054 . 9 1 1 A 83 83 ASP HA H 83 4.260 4.486 -0.226 1
1 1057 . 9 1 1 A 83 83 ASP C C 83 174.543 177.175 -2.632 1
1 1058 . 9 1 1 A 83 83 ASP CA C 83 57.056 55.734 1.322 1
1 1059 . 9 1 1 A 83 83 ASP CB C 83 41.590 40.584 1.006 1
1 1060 . 9 1 1 A 83 83 ASP N N 83 122.600 118.823 3.777 1
1 1061 . 9 1 1 A 84 84 LYS H H 84 8.152 8.248 -0.096 1
1 1062 . 9 1 1 A 84 84 LYS HA H 84 4.060 4.304 -0.244 1
1 1071 . 9 1 1 A 84 84 LYS C C 84 172.461 176.627 -4.166 1
1 1072 . 9 1 1 A 84 84 LYS CA C 84 57.301 57.566 -0.265 1
1 1073 . 9 1 1 A 84 84 LYS CB C 84 31.140 32.992 -1.852 1
1 1077 . 9 1 1 A 84 84 LYS N N 84 113.797 116.851 -3.054 1
1 1078 . 9 1 1 A 85 85 VAL H H 85 7.290 7.538 -0.248 1
1 1079 . 9 1 1 A 85 85 VAL HA H 85 4.230 4.360 -0.130 1
1 1087 . 9 1 1 A 85 85 VAL C C 85 173.934 175.965 -2.031 1
1 1088 . 9 1 1 A 85 85 VAL CA C 85 63.300 61.913 1.387 1
1 1089 . 9 1 1 A 85 85 VAL CB C 85 32.320 32.967 -0.647 1
1 1092 . 9 1 1 A 85 85 VAL N N 85 118.733 119.641 -0.908 1
1 1093 . 9 1 1 A 86 86 VAL H H 86 9.093 9.105 -0.012 1
1 1094 . 9 1 1 A 86 86 VAL HA H 86 4.165 4.510 -0.345 1
1 1102 . 9 1 1 A 86 86 VAL C C 86 173.235 175.863 -2.628 1
1 1103 . 9 1 1 A 86 86 VAL CA C 86 62.144 62.100 0.044 1
1 1104 . 9 1 1 A 86 86 VAL CB C 86 33.397 33.633 -0.236 1
1 1107 . 9 1 1 A 86 86 VAL N N 86 125.341 123.883 1.458 1
1 1108 . 9 1 1 A 87 87 GLN H H 87 7.727 7.506 0.221 1
1 1109 . 9 1 1 A 87 87 GLN HA H 87 4.437 4.942 -0.505 1
1 1114 . 9 1 1 A 87 87 GLN C C 87 170.954 174.040 -3.086 1
1 1115 . 9 1 1 A 87 87 GLN CA C 87 56.370 55.364 1.006 1
1 1116 . 9 1 1 A 87 87 GLN CB C 87 32.420 32.192 0.228 1
1 1118 . 9 1 1 A 87 87 GLN N N 87 119.469 120.601 -1.132 1
1 1119 . 9 1 1 A 88 88 THR H H 88 8.087 8.817 -0.730 1
1 1120 . 9 1 1 A 88 88 THR HA H 88 4.857 5.430 -0.573 1
1 1125 . 9 1 1 A 88 88 THR CA C 88 61.850 60.575 1.275 1
1 1126 . 9 1 1 A 88 88 THR CB C 88 69.900 71.360 -1.460 1
1 1128 . 9 1 1 A 88 88 THR N N 88 119.679 115.359 4.320 1
1 1129 . 9 1 1 A 89 89 LEU HA H 89 4.851 5.117 -0.266 1
1 1139 . 9 1 1 A 89 89 LEU C C 89 174.211 176.898 -2.687 1
1 1140 . 9 1 1 A 89 89 LEU CA C 89 54.590 53.466 1.124 1
1 1141 . 9 1 1 A 89 89 LEU CB C 89 44.176 42.773 1.403 1
1 1145 . 9 1 1 A 90 90 GLY H H 90 8.697 8.781 -0.084 1
1 1146 . 9 1 1 A 90 90 GLY HA2 H 90 4.181 4.430 -0.249 1
1 1147 . 9 1 1 A 90 90 GLY HA3 H 90 4.267 4.468 -0.201 1
1 1148 . 9 1 1 A 90 90 GLY C C 90 170.516 173.237 -2.721 1
1 1149 . 9 1 1 A 90 90 GLY CA C 90 45.810 45.904 -0.094 1
1 1150 . 9 1 1 A 90 90 GLY N N 90 109.859 114.118 -4.259 1
1 1 . 10 1 1 A 2 2 GLY HA2 H 2 3.721 4.138 -0.417 1
1 2 . 10 1 1 A 2 2 GLY HA3 H 2 3.721 4.142 -0.421 1
1 3 . 10 1 1 A 2 2 GLY CA C 2 43.440 44.257 -0.817 1
1 4 . 10 1 1 A 3 3 HIS HA H 3 4.602 5.066 -0.464 1
1 9 . 10 1 1 A 3 3 HIS C C 3 172.383 173.968 -1.585 1
1 10 . 10 1 1 A 3 3 HIS CA C 3 56.270 54.344 1.926 1
1 11 . 10 1 1 A 3 3 HIS CB C 3 30.850 31.814 -0.964 1
1 14 . 10 1 1 A 4 4 MET H H 4 8.397 8.679 -0.282 1
1 15 . 10 1 1 A 4 4 MET HA H 4 4.720 4.838 -0.118 1
1 23 . 10 1 1 A 4 4 MET CA C 4 53.410 53.450 -0.040 1
1 24 . 10 1 1 A 4 4 MET CB C 4 32.550 33.265 -0.715 1
1 27 . 10 1 1 A 4 4 MET N N 4 123.715 125.248 -1.533 1
1 28 . 10 1 1 A 5 5 PRO HA H 5 4.340 4.477 -0.137 1
1 35 . 10 1 1 A 5 5 PRO C C 5 174.369 176.136 -1.767 1
1 36 . 10 1 1 A 5 5 PRO CA C 5 63.686 62.469 1.217 1
1 37 . 10 1 1 A 5 5 PRO CB C 5 32.430 31.892 0.538 1
1 40 . 10 1 1 A 6 6 SER H H 6 8.337 8.546 -0.209 1
1 41 . 10 1 1 A 6 6 SER HA H 6 4.299 4.673 -0.374 1
1 44 . 10 1 1 A 6 6 SER C C 6 171.770 173.064 -1.294 1
1 45 . 10 1 1 A 6 6 SER CA C 6 58.800 57.297 1.503 1
1 46 . 10 1 1 A 6 6 SER CB C 6 63.896 63.186 0.710 1
1 47 . 10 1 1 A 6 6 SER N N 6 115.479 117.322 -1.843 1
1 48 . 10 1 1 A 7 7 ASP H H 7 8.269 8.933 -0.664 1
1 49 . 10 1 1 A 7 7 ASP HA H 7 4.545 4.673 -0.128 1
1 52 . 10 1 1 A 7 7 ASP C C 7 173.646 174.651 -1.005 1
1 53 . 10 1 1 A 7 7 ASP CA C 7 54.571 53.474 1.097 1
1 54 . 10 1 1 A 7 7 ASP CB C 7 41.353 40.532 0.821 1
1 55 . 10 1 1 A 7 7 ASP N N 7 122.367 130.197 -7.830 1
1 56 . 10 1 1 A 8 8 SER H H 8 8.126 8.098 0.028 1
1 57 . 10 1 1 A 8 8 SER HA H 8 4.337 4.622 -0.285 1
1 60 . 10 1 1 A 8 8 SER C C 8 171.792 174.401 -2.609 1
1 61 . 10 1 1 A 8 8 SER CA C 8 58.950 59.481 -0.531 1
1 62 . 10 1 1 A 8 8 SER CB C 8 64.140 63.603 0.537 1
1 63 . 10 1 1 A 8 8 SER N N 8 116.038 121.777 -5.739 1
1 64 . 10 1 1 A 9 9 LYS H H 9 8.400 8.544 -0.144 1
1 65 . 10 1 1 A 9 9 LYS HA H 9 4.225 4.956 -0.731 1
1 74 . 10 1 1 A 9 9 LYS C C 9 173.626 175.855 -2.229 1
1 75 . 10 1 1 A 9 9 LYS CA C 9 56.391 54.866 1.525 1
1 76 . 10 1 1 A 9 9 LYS CB C 9 32.970 35.641 -2.671 1
1 80 . 10 1 1 A 9 9 LYS N N 9 122.400 123.231 -0.831 1
1 81 . 10 1 1 A 10 10 LYS H H 10 8.180 8.731 -0.551 1
1 82 . 10 1 1 A 10 10 LYS HA H 10 4.493 4.395 0.098 1
1 91 . 10 1 1 A 10 10 LYS CA C 10 54.500 57.404 -2.904 1
1 92 . 10 1 1 A 10 10 LYS CB C 10 32.750 31.445 1.305 1
1 96 . 10 1 1 A 10 10 LYS N N 10 123.900 118.612 5.288 1
1 97 . 10 1 1 A 11 11 PRO HA H 11 4.404 4.445 -0.041 1
1 104 . 10 1 1 A 11 11 PRO C C 11 174.099 176.617 -2.518 1
1 105 . 10 1 1 A 11 11 PRO CA C 11 63.451 63.132 0.319 1
1 106 . 10 1 1 A 11 11 PRO CB C 11 32.405 32.019 0.386 1
1 109 . 10 1 1 A 12 12 THR H H 12 8.277 8.406 -0.129 1
1 110 . 10 1 1 A 12 12 THR HA H 12 4.156 4.350 -0.194 1
1 115 . 10 1 1 A 12 12 THR C C 12 171.255 174.425 -3.170 1
1 116 . 10 1 1 A 12 12 THR CA C 12 62.829 63.295 -0.466 1
1 117 . 10 1 1 A 12 12 THR CB C 12 70.113 68.720 1.393 1
1 119 . 10 1 1 A 12 12 THR N N 12 116.775 118.335 -1.560 1
1 120 . 10 1 1 A 13 13 ILE H H 13 8.141 8.698 -0.557 1
1 121 . 10 1 1 A 13 13 ILE HA H 13 3.880 4.158 -0.278 1
1 131 . 10 1 1 A 13 13 ILE C C 13 171.936 175.678 -3.742 1
1 132 . 10 1 1 A 13 13 ILE CA C 13 61.000 61.270 -0.270 1
1 133 . 10 1 1 A 13 13 ILE CB C 13 38.957 37.962 0.995 1
1 137 . 10 1 1 A 13 13 ILE N N 13 126.554 127.906 -1.352 1
1 138 . 10 1 1 A 14 14 ILE H H 14 7.890 8.686 -0.796 1
1 139 . 10 1 1 A 14 14 ILE HA H 14 4.045 4.468 -0.423 1
1 149 . 10 1 1 A 14 14 ILE C C 14 171.624 174.814 -3.190 1
1 150 . 10 1 1 A 14 14 ILE CA C 14 60.132 60.508 -0.376 1
1 151 . 10 1 1 A 14 14 ILE CB C 14 38.760 37.635 1.125 1
1 155 . 10 1 1 A 14 14 ILE N N 14 127.503 128.665 -1.162 1
1 156 . 10 1 1 A 15 15 TYR H H 15 8.185 8.920 -0.735 1
1 165 . 10 1 1 A 15 15 TYR N N 15 123.664 127.389 -3.725 1
1 166 . 10 1 1 A 16 16 PRO HA H 16 5.087 5.353 -0.266 1
1 173 . 10 1 1 A 16 16 PRO C C 16 172.702 175.834 -3.132 1
1 174 . 10 1 1 A 16 16 PRO CA C 16 62.891 62.451 0.440 1
1 175 . 10 1 1 A 16 16 PRO CB C 16 36.288 32.945 3.343 1
1 178 . 10 1 1 A 17 17 CYS H H 17 8.579 8.229 0.350 1
1 179 . 10 1 1 A 17 17 CYS HA H 17 4.924 4.947 -0.023 1
1 182 . 10 1 1 A 17 17 CYS C C 17 169.725 173.453 -3.728 1
1 183 . 10 1 1 A 17 17 CYS CA C 17 55.925 57.184 -1.259 1
1 184 . 10 1 1 A 17 17 CYS CB C 17 31.200 30.973 0.227 1
1 185 . 10 1 1 A 17 17 CYS N N 17 114.797 116.748 -1.951 1
1 186 . 10 1 1 A 18 18 LEU H H 18 8.449 8.595 -0.146 1
1 187 . 10 1 1 A 18 18 LEU HA H 18 4.336 4.442 -0.106 1
1 197 . 10 1 1 A 18 18 LEU C C 18 172.529 175.965 -3.436 1
1 198 . 10 1 1 A 18 18 LEU CA C 18 55.600 54.913 0.687 1
1 199 . 10 1 1 A 18 18 LEU CB C 18 42.550 41.267 1.283 1
1 203 . 10 1 1 A 18 18 LEU N N 18 122.242 122.296 -0.054 1
1 204 . 10 1 1 A 19 19 TRP H H 19 9.079 9.255 -0.176 1
1 205 . 10 1 1 A 19 19 TRP HA H 19 4.300 4.989 -0.689 1
1 214 . 10 1 1 A 19 19 TRP C C 19 170.195 174.370 -4.175 1
1 215 . 10 1 1 A 19 19 TRP CA C 19 56.750 55.810 0.940 1
1 216 . 10 1 1 A 19 19 TRP CB C 19 33.935 31.641 2.294 1
1 222 . 10 1 1 A 19 19 TRP N N 19 130.082 127.690 2.392 1
1 224 . 10 1 1 A 20 20 ASP H H 20 6.314 8.413 -2.099 1
1 225 . 10 1 1 A 20 20 ASP HA H 20 5.559 5.062 0.497 1
1 228 . 10 1 1 A 20 20 ASP C C 20 172.285 174.653 -2.368 1
1 229 . 10 1 1 A 20 20 ASP CA C 20 52.900 52.806 0.094 1
1 230 . 10 1 1 A 20 20 ASP CB C 20 43.450 42.362 1.088 1
1 231 . 10 1 1 A 20 20 ASP N N 20 122.801 128.422 -5.621 1
1 232 . 10 1 1 A 21 21 TYR H H 21 9.519 9.493 0.026 1
1 233 . 10 1 1 A 21 21 TYR HA H 21 4.975 5.318 -0.343 1
1 240 . 10 1 1 A 21 21 TYR C C 21 172.202 174.505 -2.303 1
1 241 . 10 1 1 A 21 21 TYR CA C 21 56.910 56.789 0.121 1
1 242 . 10 1 1 A 21 21 TYR CB C 21 40.850 41.706 -0.856 1
1 247 . 10 1 1 A 21 21 TYR N N 21 120.749 126.350 -5.601 1
1 248 . 10 1 1 A 22 22 ARG H H 22 8.758 9.059 -0.301 1
1 249 . 10 1 1 A 22 22 ARG HA H 22 5.189 5.063 0.126 1
1 256 . 10 1 1 A 22 22 ARG C C 22 172.210 174.927 -2.717 1
1 257 . 10 1 1 A 22 22 ARG CA C 22 55.180 55.027 0.153 1
1 258 . 10 1 1 A 22 22 ARG CB C 22 31.360 32.839 -1.479 1
1 261 . 10 1 1 A 22 22 ARG N N 22 124.405 123.801 0.604 1
1 262 . 10 1 1 A 23 23 VAL H H 23 9.170 9.465 -0.295 1
1 263 . 10 1 1 A 23 23 VAL HA H 23 4.591 4.674 -0.083 1
1 271 . 10 1 1 A 23 23 VAL C C 23 171.354 174.958 -3.604 1
1 272 . 10 1 1 A 23 23 VAL CA C 23 61.836 61.746 0.090 1
1 273 . 10 1 1 A 23 23 VAL CB C 23 35.725 32.619 3.106 1
1 276 . 10 1 1 A 23 23 VAL N N 23 125.900 127.302 -1.402 1
1 277 . 10 1 1 A 24 24 ILE H H 24 8.919 9.206 -0.287 1
1 278 . 10 1 1 A 24 24 ILE HA H 24 5.119 5.003 0.116 1
1 288 . 10 1 1 A 24 24 ILE C C 24 173.492 175.257 -1.765 1
1 289 . 10 1 1 A 24 24 ILE CA C 24 60.567 60.629 -0.062 1
1 290 . 10 1 1 A 24 24 ILE CB C 24 38.346 37.797 0.549 1
1 294 . 10 1 1 A 24 24 ILE N N 24 127.789 128.985 -1.196 1
1 295 . 10 1 1 A 25 25 MET H H 25 9.857 8.999 0.858 1
1 296 . 10 1 1 A 25 25 MET HA H 25 6.017 5.179 0.838 1
1 304 . 10 1 1 A 25 25 MET C C 25 174.379 177.359 -2.980 1
1 305 . 10 1 1 A 25 25 MET CA C 25 54.898 54.468 0.430 1
1 306 . 10 1 1 A 25 25 MET CB C 25 40.260 35.048 5.212 1
1 309 . 10 1 1 A 25 25 MET N N 25 124.403 126.944 -2.541 1
1 310 . 10 1 1 A 26 26 THR H H 26 8.843 9.018 -0.175 1
1 311 . 10 1 1 A 26 26 THR HA H 26 4.875 4.709 0.166 1
1 316 . 10 1 1 A 26 26 THR C C 26 170.849 174.215 -3.366 1
1 317 . 10 1 1 A 26 26 THR CA C 26 61.826 61.910 -0.084 1
1 318 . 10 1 1 A 26 26 THR CB C 26 68.846 68.772 0.074 1
1 320 . 10 1 1 A 26 26 THR N N 26 108.669 112.716 -4.047 1
1 321 . 10 1 1 A 27 27 THR H H 27 7.342 7.805 -0.463 1
1 322 . 10 1 1 A 27 27 THR HA H 27 4.618 4.646 -0.028 1
1 327 . 10 1 1 A 27 27 THR C C 27 166.898 173.189 -6.291 1
1 328 . 10 1 1 A 27 27 THR CA C 27 58.657 60.488 -1.831 1
1 329 . 10 1 1 A 27 27 THR CB C 27 69.696 70.460 -0.764 1
1 331 . 10 1 1 A 27 27 THR N N 27 114.866 114.598 0.268 1
1 332 . 10 1 1 A 28 28 LYS H H 28 7.638 8.537 -0.899 1
1 333 . 10 1 1 A 28 28 LYS HA H 28 3.991 4.612 -0.621 1
1 342 . 10 1 1 A 28 28 LYS C C 28 173.190 176.544 -3.354 1
1 343 . 10 1 1 A 28 28 LYS CA C 28 55.731 56.752 -1.021 1
1 344 . 10 1 1 A 28 28 LYS CB C 28 32.790 32.123 0.667 1
1 348 . 10 1 1 A 28 28 LYS N N 28 121.283 125.112 -3.829 1
1 349 . 10 1 1 A 29 29 ASP H H 29 8.184 7.489 0.695 1
1 350 . 10 1 1 A 29 29 ASP HA H 29 4.401 4.604 -0.203 1
1 353 . 10 1 1 A 29 29 ASP C C 29 173.830 174.592 -0.762 1
1 354 . 10 1 1 A 29 29 ASP CA C 29 53.979 52.816 1.163 1
1 355 . 10 1 1 A 29 29 ASP CB C 29 40.730 39.188 1.542 1
1 356 . 10 1 1 A 29 29 ASP N N 29 120.231 122.219 -1.988 1
1 357 . 10 1 1 A 30 30 THR H H 30 7.830 8.604 -0.774 1
1 358 . 10 1 1 A 30 30 THR HA H 30 3.742 4.486 -0.744 1
1 363 . 10 1 1 A 30 30 THR C C 30 172.987 173.579 -0.592 1
1 364 . 10 1 1 A 30 30 THR CA C 30 61.299 61.567 -0.268 1
1 365 . 10 1 1 A 30 30 THR CB C 30 69.294 68.922 0.372 1
1 367 . 10 1 1 A 30 30 THR N N 30 115.459 120.657 -5.198 1
1 368 . 10 1 1 A 31 31 SER H H 31 8.561 8.557 0.004 1
1 369 . 10 1 1 A 31 31 SER HA H 31 3.875 4.564 -0.689 1
1 372 . 10 1 1 A 31 31 SER CA C 31 63.520 58.234 5.286 1
1 373 . 10 1 1 A 31 31 SER CB C 31 62.332 63.085 -0.753 1
1 374 . 10 1 1 A 31 31 SER N N 31 119.763 120.887 -1.124 1
1 375 . 10 1 1 A 32 32 THR HA H 32 3.961 3.937 0.024 1
1 380 . 10 1 1 A 32 32 THR C C 32 173.850 176.238 -2.388 1
1 381 . 10 1 1 A 32 32 THR CA C 32 65.447 66.733 -1.286 1
1 382 . 10 1 1 A 32 32 THR CB C 32 68.715 68.844 -0.129 1
1 384 . 10 1 1 A 33 33 LEU H H 33 7.209 8.053 -0.844 1
1 385 . 10 1 1 A 33 33 LEU HA H 33 3.950 3.901 0.049 1
1 395 . 10 1 1 A 33 33 LEU C C 33 174.505 178.656 -4.151 1
1 396 . 10 1 1 A 33 33 LEU CA C 33 57.653 58.377 -0.724 1
1 397 . 10 1 1 A 33 33 LEU CB C 33 42.210 41.298 0.912 1
1 401 . 10 1 1 A 33 33 LEU N N 33 125.158 121.617 3.541 1
1 402 . 10 1 1 A 34 34 LYS H H 34 8.671 7.906 0.765 1
1 403 . 10 1 1 A 34 34 LYS HA H 34 3.552 3.826 -0.274 1
1 412 . 10 1 1 A 34 34 LYS C C 34 174.794 179.470 -4.676 1
1 413 . 10 1 1 A 34 34 LYS CA C 34 61.226 59.714 1.512 1
1 414 . 10 1 1 A 34 34 LYS CB C 34 32.880 32.434 0.446 1
1 418 . 10 1 1 A 34 34 LYS N N 34 119.112 118.542 0.570 1
1 419 . 10 1 1 A 35 35 GLU H H 35 7.813 7.917 -0.104 1
1 420 . 10 1 1 A 35 35 GLU HA H 35 3.863 4.049 -0.186 1
1 425 . 10 1 1 A 35 35 GLU C C 35 176.222 179.304 -3.082 1
1 426 . 10 1 1 A 35 35 GLU CA C 35 59.721 59.036 0.685 1
1 427 . 10 1 1 A 35 35 GLU CB C 35 29.898 29.343 0.555 1
1 429 . 10 1 1 A 35 35 GLU N N 35 116.554 120.791 -4.237 1
1 430 . 10 1 1 A 36 36 LEU H H 36 7.153 7.771 -0.618 1
1 431 . 10 1 1 A 36 36 LEU HA H 36 4.175 3.943 0.232 1
1 441 . 10 1 1 A 36 36 LEU C C 36 177.281 178.981 -1.700 1
1 442 . 10 1 1 A 36 36 LEU CA C 36 58.018 57.916 0.102 1
1 443 . 10 1 1 A 36 36 LEU CB C 36 41.720 41.184 0.536 1
1 447 . 10 1 1 A 36 36 LEU N N 36 119.071 119.167 -0.096 1
1 448 . 10 1 1 A 37 37 LEU H H 37 8.245 8.072 0.173 1
1 449 . 10 1 1 A 37 37 LEU HA H 37 3.749 4.090 -0.341 1
1 459 . 10 1 1 A 37 37 LEU C C 37 177.903 179.268 -1.365 1
1 460 . 10 1 1 A 37 37 LEU CA C 37 58.278 58.120 0.158 1
1 461 . 10 1 1 A 37 37 LEU CB C 37 39.600 40.355 -0.755 1
1 465 . 10 1 1 A 37 37 LEU N N 37 121.326 118.988 2.338 1
1 466 . 10 1 1 A 38 38 GLU H H 38 8.641 8.323 0.318 1
1 467 . 10 1 1 A 38 38 GLU HA H 38 4.320 4.131 0.189 1
1 472 . 10 1 1 A 38 38 GLU C C 38 177.074 178.994 -1.920 1
1 473 . 10 1 1 A 38 38 GLU CA C 38 59.619 59.453 0.166 1
1 474 . 10 1 1 A 38 38 GLU CB C 38 29.850 29.379 0.471 1
1 476 . 10 1 1 A 38 38 GLU N N 38 119.504 119.107 0.397 1
1 477 . 10 1 1 A 39 39 THR H H 39 7.653 7.627 0.026 1
1 478 . 10 1 1 A 39 39 THR HA H 39 4.097 4.073 0.024 1
1 483 . 10 1 1 A 39 39 THR C C 39 173.229 175.315 -2.086 1
1 484 . 10 1 1 A 39 39 THR CA C 39 65.080 64.968 0.112 1
1 485 . 10 1 1 A 39 39 THR CB C 39 69.952 68.301 1.651 1
1 487 . 10 1 1 A 39 39 THR N N 39 110.838 113.518 -2.680 1
1 488 . 10 1 1 A 40 40 TYR H H 40 7.478 7.571 -0.093 1
1 489 . 10 1 1 A 40 40 TYR HA H 40 4.073 4.670 -0.597 1
1 496 . 10 1 1 A 40 40 TYR C C 40 172.486 174.991 -2.505 1
1 497 . 10 1 1 A 40 40 TYR CA C 40 61.549 57.228 4.321 1
1 498 . 10 1 1 A 40 40 TYR CB C 40 37.140 38.367 -1.227 1
1 503 . 10 1 1 A 40 40 TYR N N 40 118.654 120.201 -1.547 1
1 504 . 10 1 1 A 41 41 GLN H H 41 7.901 8.117 -0.216 1
1 505 . 10 1 1 A 41 41 GLN HA H 41 3.963 3.895 0.068 1
1 512 . 10 1 1 A 41 41 GLN C C 41 171.223 174.159 -2.936 1
1 513 . 10 1 1 A 41 41 GLN CA C 41 57.158 57.125 0.033 1
1 514 . 10 1 1 A 41 41 GLN CB C 41 27.330 26.554 0.776 1
1 516 . 10 1 1 A 41 41 GLN N N 41 116.315 116.087 0.228 1
1 518 . 10 1 1 A 42 42 ARG H H 42 8.493 7.794 0.699 1
1 519 . 10 1 1 A 42 42 ARG HA H 42 5.052 5.010 0.042 1
1 527 . 10 1 1 A 42 42 ARG CA C 42 54.040 53.773 0.267 1
1 528 . 10 1 1 A 42 42 ARG CB C 42 30.650 32.580 -1.930 1
1 531 . 10 1 1 A 42 42 ARG N N 42 115.494 115.333 0.161 1
1 533 . 10 1 1 A 43 43 PRO HA H 43 4.390 4.879 -0.489 1
1 540 . 10 1 1 A 43 43 PRO C C 43 172.836 176.632 -3.796 1
1 541 . 10 1 1 A 43 43 PRO CA C 43 63.574 62.534 1.040 1
1 542 . 10 1 1 A 43 43 PRO CB C 43 32.500 33.377 -0.877 1
1 545 . 10 1 1 A 44 44 PHE H H 44 7.742 8.661 -0.919 1
1 546 . 10 1 1 A 44 44 PHE HA H 44 5.281 5.201 0.080 1
1 554 . 10 1 1 A 44 44 PHE C C 44 170.840 172.241 -1.401 1
1 555 . 10 1 1 A 44 44 PHE CA C 44 56.174 56.040 0.134 1
1 556 . 10 1 1 A 44 44 PHE CB C 44 42.280 41.656 0.624 1
1 562 . 10 1 1 A 44 44 PHE N N 44 115.046 117.808 -2.762 1
1 563 . 10 1 1 A 45 45 LYS H H 45 8.944 9.421 -0.477 1
1 564 . 10 1 1 A 45 45 LYS HA H 45 4.641 4.830 -0.189 1
1 573 . 10 1 1 A 45 45 LYS C C 45 171.934 174.847 -2.913 1
1 574 . 10 1 1 A 45 45 LYS CA C 45 55.210 55.146 0.064 1
1 575 . 10 1 1 A 45 45 LYS CB C 45 35.600 34.387 1.213 1
1 579 . 10 1 1 A 45 45 LYS N N 45 121.090 121.202 -0.112 1
1 580 . 10 1 1 A 46 46 LEU H H 46 8.897 9.071 -0.174 1
1 581 . 10 1 1 A 46 46 LEU HA H 46 5.332 5.418 -0.086 1
1 590 . 10 1 1 A 46 46 LEU C C 46 172.666 175.087 -2.421 1
1 591 . 10 1 1 A 46 46 LEU CA C 46 54.510 53.866 0.644 1
1 592 . 10 1 1 A 46 46 LEU CB C 46 44.620 44.907 -0.287 1
1 595 . 10 1 1 A 46 46 LEU N N 46 128.615 129.435 -0.820 1
1 596 . 10 1 1 A 47 47 GLU H H 47 9.220 9.130 0.090 1
1 597 . 10 1 1 A 47 47 GLU HA H 47 4.911 5.027 -0.116 1
1 602 . 10 1 1 A 47 47 GLU C C 47 172.392 174.677 -2.285 1
1 603 . 10 1 1 A 47 47 GLU CA C 47 54.980 54.616 0.364 1
1 604 . 10 1 1 A 47 47 GLU CB C 47 34.490 34.661 -0.171 1
1 606 . 10 1 1 A 47 47 GLU N N 47 125.300 124.839 0.461 1
1 607 . 10 1 1 A 48 48 PHE H H 48 9.157 9.096 0.061 1
1 608 . 10 1 1 A 48 48 PHE HA H 48 4.302 5.014 -0.712 1
1 616 . 10 1 1 A 48 48 PHE C C 48 171.971 174.525 -2.554 1
1 617 . 10 1 1 A 48 48 PHE CA C 48 58.240 56.994 1.246 1
1 618 . 10 1 1 A 48 48 PHE CB C 48 39.410 40.635 -1.225 1
1 624 . 10 1 1 A 48 48 PHE N N 48 126.911 123.987 2.924 1
1 625 . 10 1 1 A 49 49 LYS H H 49 8.256 8.523 -0.267 1
1 626 . 10 1 1 A 49 49 LYS HA H 49 4.176 4.144 0.032 1
1 635 . 10 1 1 A 49 49 LYS C C 49 172.030 175.840 -3.810 1
1 636 . 10 1 1 A 49 49 LYS CA C 49 55.244 57.738 -2.494 1
1 637 . 10 1 1 A 49 49 LYS CB C 49 32.640 32.412 0.228 1
1 641 . 10 1 1 A 49 49 LYS N N 49 127.526 126.557 0.969 1
1 642 . 10 1 1 A 50 50 ASN H H 50 7.062 7.084 -0.022 1
1 643 . 10 1 1 A 50 50 ASN HA H 50 4.353 4.681 -0.328 1
1 648 . 10 1 1 A 50 50 ASN C C 50 171.278 172.551 -1.273 1
1 649 . 10 1 1 A 50 50 ASN CA C 50 53.807 52.588 1.219 1
1 650 . 10 1 1 A 50 50 ASN CB C 50 40.460 41.874 -1.414 1
1 651 . 10 1 1 A 50 50 ASN N N 50 115.764 112.011 3.753 1
1 653 . 10 1 1 A 51 51 THR H H 51 8.217 8.759 -0.542 1
1 654 . 10 1 1 A 51 51 THR HA H 51 4.685 4.851 -0.166 1
1 659 . 10 1 1 A 51 51 THR C C 51 171.816 174.365 -2.549 1
1 660 . 10 1 1 A 51 51 THR CA C 51 61.243 61.263 -0.020 1
1 661 . 10 1 1 A 51 51 THR CB C 51 70.632 70.512 0.120 1
1 663 . 10 1 1 A 51 51 THR N N 51 114.341 117.878 -3.537 1
1 664 . 10 1 1 A 52 52 SER H H 52 8.314 8.987 -0.673 1
1 665 . 10 1 1 A 52 52 SER HA H 52 4.395 4.315 0.080 1
1 668 . 10 1 1 A 52 52 SER CA C 52 58.470 58.539 -0.069 1
1 669 . 10 1 1 A 52 52 SER CB C 52 64.580 61.937 2.643 1
1 670 . 10 1 1 A 52 52 SER N N 52 118.503 122.546 -4.043 1
1 671 . 10 1 1 A 54 54 ASN HA H 54 4.484 4.704 -0.220 1
1 676 . 10 1 1 A 54 54 ASN C C 54 171.753 174.629 -2.876 1
1 677 . 10 1 1 A 54 54 ASN CA C 54 53.296 54.346 -1.050 1
1 678 . 10 1 1 A 54 54 ASN CB C 54 38.080 38.945 -0.865 1
1 680 . 10 1 1 A 55 55 ALA H H 55 7.927 7.902 0.025 1
1 681 . 10 1 1 A 55 55 ALA HA H 55 3.759 4.583 -0.824 1
1 685 . 10 1 1 A 55 55 ALA C C 55 173.386 177.007 -3.621 1
1 686 . 10 1 1 A 55 55 ALA CA C 55 53.266 53.581 -0.315 1
1 687 . 10 1 1 A 55 55 ALA CB C 55 18.180 17.892 0.288 1
1 688 . 10 1 1 A 55 55 ALA N N 55 120.429 120.390 0.039 1
1 689 . 10 1 1 A 56 56 LYS H H 56 7.426 7.483 -0.057 1
1 690 . 10 1 1 A 56 56 LYS HA H 56 3.919 3.766 0.153 1
1 702 . 10 1 1 A 56 56 LYS C C 56 172.612 175.411 -2.799 1
1 703 . 10 1 1 A 56 56 LYS CA C 56 57.113 57.761 -0.648 1
1 704 . 10 1 1 A 56 56 LYS CB C 56 33.566 33.136 0.430 1
1 708 . 10 1 1 A 56 56 LYS N N 56 116.392 117.595 -1.203 1
1 710 . 10 1 1 A 57 57 PHE H H 57 7.253 7.433 -0.180 1
1 711 . 10 1 1 A 57 57 PHE HA H 57 5.062 5.155 -0.093 1
1 719 . 10 1 1 A 57 57 PHE C C 57 171.527 173.731 -2.204 1
1 720 . 10 1 1 A 57 57 PHE CA C 57 54.920 56.349 -1.429 1
1 721 . 10 1 1 A 57 57 PHE CB C 57 41.910 42.588 -0.678 1
1 727 . 10 1 1 A 57 57 PHE N N 57 113.835 116.107 -2.272 1
1 728 . 10 1 1 A 58 58 TYR H H 58 9.172 9.582 -0.410 1
1 729 . 10 1 1 A 58 58 TYR HA H 58 4.746 5.152 -0.406 1
1 736 . 10 1 1 A 58 58 TYR C C 58 171.294 174.544 -3.250 1
1 737 . 10 1 1 A 58 58 TYR CA C 58 57.770 56.793 0.977 1
1 738 . 10 1 1 A 58 58 TYR CB C 58 41.784 40.413 1.371 1
1 743 . 10 1 1 A 58 58 TYR N N 58 121.139 122.815 -1.676 1
1 744 . 10 1 1 A 59 59 SER H H 59 8.786 8.507 0.279 1
1 745 . 10 1 1 A 59 59 SER HA H 59 5.399 4.855 0.544 1
1 748 . 10 1 1 A 59 59 SER C C 59 170.105 173.555 -3.450 1
1 749 . 10 1 1 A 59 59 SER CA C 59 57.650 57.097 0.553 1
1 750 . 10 1 1 A 59 59 SER CB C 59 65.220 63.933 1.287 1
1 751 . 10 1 1 A 59 59 SER N N 59 118.511 120.197 -1.686 1
1 752 . 10 1 1 A 60 60 PHE H H 60 9.389 9.676 -0.287 1
1 753 . 10 1 1 A 60 60 PHE HA H 60 5.210 5.235 -0.025 1
1 761 . 10 1 1 A 60 60 PHE C C 60 172.188 174.498 -2.310 1
1 762 . 10 1 1 A 60 60 PHE CA C 60 56.824 56.505 0.319 1
1 763 . 10 1 1 A 60 60 PHE CB C 60 43.645 42.174 1.471 1
1 769 . 10 1 1 A 60 60 PHE N N 60 121.864 127.840 -5.976 1
1 770 . 10 1 1 A 61 61 ASN H H 61 9.448 9.483 -0.035 1
1 771 . 10 1 1 A 61 61 ASN HA H 61 5.564 5.709 -0.145 1
1 776 . 10 1 1 A 61 61 ASN C C 61 171.756 173.970 -2.214 1
1 777 . 10 1 1 A 61 61 ASN CA C 61 53.012 52.054 0.958 1
1 778 . 10 1 1 A 61 61 ASN CB C 61 42.580 42.023 0.557 1
1 779 . 10 1 1 A 61 61 ASN N N 61 121.107 119.543 1.564 1
1 781 . 10 1 1 A 62 62 VAL H H 62 9.361 9.288 0.073 1
1 782 . 10 1 1 A 62 62 VAL HA H 62 5.159 5.245 -0.086 1
1 790 . 10 1 1 A 62 62 VAL C C 62 171.964 175.123 -3.159 1
1 791 . 10 1 1 A 62 62 VAL CA C 62 60.991 61.362 -0.371 1
1 792 . 10 1 1 A 62 62 VAL CB C 62 35.350 34.269 1.081 1
1 795 . 10 1 1 A 62 62 VAL N N 62 126.781 125.831 0.950 1
1 796 . 10 1 1 A 63 63 SER H H 63 8.750 9.428 -0.678 1
1 797 . 10 1 1 A 63 63 SER HA H 63 5.955 5.468 0.487 1
1 800 . 10 1 1 A 63 63 SER C C 63 171.905 173.599 -1.694 1
1 801 . 10 1 1 A 63 63 SER CA C 63 56.587 58.098 -1.511 1
1 802 . 10 1 1 A 63 63 SER CB C 63 65.231 63.870 1.361 1
1 803 . 10 1 1 A 63 63 SER N N 63 120.886 125.689 -4.803 1
1 804 . 10 1 1 A 64 64 MET H H 64 8.918 9.020 -0.102 1
1 805 . 10 1 1 A 64 64 MET HA H 64 4.622 5.434 -0.812 1
1 813 . 10 1 1 A 64 64 MET C C 64 170.352 175.321 -4.969 1
1 814 . 10 1 1 A 64 64 MET CA C 64 55.950 53.650 2.300 1
1 815 . 10 1 1 A 64 64 MET CB C 64 38.000 35.955 2.045 1
1 818 . 10 1 1 A 64 64 MET N N 64 123.839 123.556 0.283 1
1 819 . 10 1 1 A 65 65 GLU H H 65 9.213 8.613 0.600 1
1 820 . 10 1 1 A 65 65 GLU HA H 65 4.740 4.803 -0.063 1
1 825 . 10 1 1 A 65 65 GLU C C 65 172.659 176.569 -3.910 1
1 826 . 10 1 1 A 65 65 GLU CA C 65 57.547 57.073 0.474 1
1 827 . 10 1 1 A 65 65 GLU CB C 65 31.100 30.169 0.931 1
1 829 . 10 1 1 A 65 65 GLU N N 65 125.938 121.014 4.924 1
1 830 . 10 1 1 A 66 66 VAL H H 66 9.031 8.983 0.048 1
1 831 . 10 1 1 A 66 66 VAL HA H 66 4.632 4.826 -0.194 1
1 839 . 10 1 1 A 66 66 VAL C C 66 174.252 175.838 -1.586 1
1 840 . 10 1 1 A 66 66 VAL CA C 66 59.454 60.016 -0.562 1
1 841 . 10 1 1 A 66 66 VAL CB C 66 35.450 34.989 0.461 1
1 844 . 10 1 1 A 66 66 VAL N N 66 117.398 118.170 -0.772 1
1 845 . 10 1 1 A 67 67 SER H H 67 9.309 9.150 0.159 1
1 846 . 10 1 1 A 67 67 SER HA H 67 4.185 4.685 -0.500 1
1 849 . 10 1 1 A 67 67 SER C C 67 170.646 174.191 -3.545 1
1 850 . 10 1 1 A 67 67 SER CA C 67 61.719 59.218 2.501 1
1 851 . 10 1 1 A 67 67 SER CB C 67 64.540 64.368 0.172 1
1 852 . 10 1 1 A 67 67 SER N N 67 116.754 117.731 -0.977 1
1 853 . 10 1 1 A 68 68 ASN H H 68 7.279 7.606 -0.327 1
1 854 . 10 1 1 A 68 68 ASN HA H 68 3.345 4.411 -1.066 1
1 859 . 10 1 1 A 68 68 ASN C C 68 170.781 175.087 -4.306 1
1 860 . 10 1 1 A 68 68 ASN CA C 68 51.758 52.117 -0.359 1
1 861 . 10 1 1 A 68 68 ASN CB C 68 38.809 39.454 -0.645 1
1 862 . 10 1 1 A 68 68 ASN N N 68 110.062 115.509 -5.447 1
1 864 . 10 1 1 A 69 69 GLU H H 69 8.126 8.459 -0.333 1
1 865 . 10 1 1 A 69 69 GLU HA H 69 3.337 3.862 -0.525 1
1 870 . 10 1 1 A 69 69 GLU C C 69 174.537 177.510 -2.973 1
1 871 . 10 1 1 A 69 69 GLU CA C 69 59.749 59.041 0.708 1
1 872 . 10 1 1 A 69 69 GLU CB C 69 30.250 28.903 1.347 1
1 874 . 10 1 1 A 69 69 GLU N N 69 120.604 119.927 0.677 1
1 875 . 10 1 1 A 70 70 SER H H 70 7.981 7.516 0.465 1
1 876 . 10 1 1 A 70 70 SER HA H 70 4.030 4.063 -0.033 1
1 879 . 10 1 1 A 70 70 SER C C 70 174.715 177.374 -2.659 1
1 880 . 10 1 1 A 70 70 SER CA C 70 62.097 61.520 0.577 1
1 881 . 10 1 1 A 70 70 SER CB C 70 62.350 62.777 -0.427 1
1 882 . 10 1 1 A 70 70 SER N N 70 114.770 114.654 0.116 1
1 883 . 10 1 1 A 71 71 GLU H H 71 8.572 7.456 1.116 1
1 884 . 10 1 1 A 71 71 GLU HA H 71 3.927 4.044 -0.117 1
1 889 . 10 1 1 A 71 71 GLU C C 71 174.769 178.888 -4.119 1
1 890 . 10 1 1 A 71 71 GLU CA C 71 59.849 59.346 0.503 1
1 891 . 10 1 1 A 71 71 GLU CB C 71 30.950 29.587 1.363 1
1 893 . 10 1 1 A 71 71 GLU N N 71 124.163 121.846 2.317 1
1 894 . 10 1 1 A 72 72 ARG H H 72 7.797 7.432 0.365 1
1 895 . 10 1 1 A 72 72 ARG HA H 72 3.776 4.228 -0.452 1
1 900 . 10 1 1 A 72 72 ARG C C 72 177.552 179.075 -1.523 1
1 901 . 10 1 1 A 72 72 ARG CA C 72 58.680 59.233 -0.553 1
1 902 . 10 1 1 A 72 72 ARG CB C 72 30.110 29.764 0.346 1
1 905 . 10 1 1 A 72 72 ARG N N 72 118.396 120.491 -2.095 1
1 906 . 10 1 1 A 73 73 ASN H H 73 8.175 8.227 -0.052 1
1 907 . 10 1 1 A 73 73 ASN HA H 73 4.461 4.521 -0.060 1
1 912 . 10 1 1 A 73 73 ASN C C 73 174.089 177.935 -3.846 1
1 913 . 10 1 1 A 73 73 ASN CA C 73 55.500 55.922 -0.422 1
1 914 . 10 1 1 A 73 73 ASN CB C 73 37.844 37.770 0.074 1
1 915 . 10 1 1 A 73 73 ASN N N 73 118.156 118.035 0.121 1
1 917 . 10 1 1 A 74 74 GLU H H 74 8.473 8.372 0.101 1
1 918 . 10 1 1 A 74 74 GLU HA H 74 3.954 4.104 -0.150 1
1 923 . 10 1 1 A 74 74 GLU C C 74 175.719 179.091 -3.372 1
1 924 . 10 1 1 A 74 74 GLU CA C 74 60.093 59.029 1.064 1
1 925 . 10 1 1 A 74 74 GLU CB C 74 30.460 29.591 0.869 1
1 927 . 10 1 1 A 74 74 GLU N N 74 124.825 119.406 5.419 1
1 928 . 10 1 1 A 75 75 ILE H H 75 8.273 8.363 -0.090 1
1 929 . 10 1 1 A 75 75 ILE HA H 75 3.229 3.627 -0.398 1
1 939 . 10 1 1 A 75 75 ILE C C 75 174.591 177.852 -3.261 1
1 940 . 10 1 1 A 75 75 ILE CA C 75 66.460 65.443 1.017 1
1 941 . 10 1 1 A 75 75 ILE CB C 75 38.262 37.593 0.669 1
1 945 . 10 1 1 A 75 75 ILE N N 75 120.282 120.105 0.177 1
1 946 . 10 1 1 A 76 76 PHE H H 76 7.233 8.036 -0.803 1
1 947 . 10 1 1 A 76 76 PHE HA H 76 3.600 3.945 -0.345 1
1 955 . 10 1 1 A 76 76 PHE C C 76 175.036 177.858 -2.822 1
1 956 . 10 1 1 A 76 76 PHE CA C 76 62.227 61.354 0.873 1
1 957 . 10 1 1 A 76 76 PHE CB C 76 40.170 39.619 0.551 1
1 963 . 10 1 1 A 76 76 PHE N N 76 117.265 120.131 -2.866 1
1 964 . 10 1 1 A 77 77 GLN H H 77 8.262 7.920 0.342 1
1 965 . 10 1 1 A 77 77 GLN HA H 77 3.753 3.855 -0.102 1
1 972 . 10 1 1 A 77 77 GLN C C 77 176.132 178.847 -2.715 1
1 973 . 10 1 1 A 77 77 GLN CA C 77 59.113 59.445 -0.332 1
1 974 . 10 1 1 A 77 77 GLN CB C 77 28.487 28.664 -0.177 1
1 976 . 10 1 1 A 77 77 GLN N N 77 118.919 118.473 0.446 1
1 978 . 10 1 1 A 78 78 LYS H H 78 8.508 7.890 0.618 1
1 979 . 10 1 1 A 78 78 LYS HA H 78 3.804 4.048 -0.244 1
1 988 . 10 1 1 A 78 78 LYS C C 78 177.438 179.225 -1.787 1
1 989 . 10 1 1 A 78 78 LYS CA C 78 60.107 59.114 0.993 1
1 990 . 10 1 1 A 78 78 LYS CB C 78 33.160 32.693 0.467 1
1 994 . 10 1 1 A 78 78 LYS N N 78 119.345 119.048 0.297 1
1 995 . 10 1 1 A 79 79 ILE H H 79 8.395 8.032 0.363 1
1 996 . 10 1 1 A 79 79 ILE HA H 79 3.182 3.710 -0.528 1
1 1006 . 10 1 1 A 79 79 ILE C C 79 174.721 176.608 -1.887 1
1 1007 . 10 1 1 A 79 79 ILE CA C 79 66.280 65.001 1.279 1
1 1008 . 10 1 1 A 79 79 ILE CB C 79 38.360 37.518 0.842 1
1 1012 . 10 1 1 A 79 79 ILE N N 79 120.117 120.362 -0.245 1
1 1013 . 10 1 1 A 80 80 SER H H 80 7.459 7.843 -0.384 1
1 1014 . 10 1 1 A 80 80 SER HA H 80 3.868 4.291 -0.423 1
1 1017 . 10 1 1 A 80 80 SER C C 80 171.998 175.306 -3.308 1
1 1018 . 10 1 1 A 80 80 SER CA C 80 61.444 59.477 1.967 1
1 1019 . 10 1 1 A 80 80 SER CB C 80 63.500 62.849 0.651 1
1 1020 . 10 1 1 A 80 80 SER N N 80 110.857 116.447 -5.590 1
1 1021 . 10 1 1 A 81 81 GLN H H 81 7.095 7.756 -0.661 1
1 1022 . 10 1 1 A 81 81 GLN HA H 81 4.143 4.303 -0.160 1
1 1029 . 10 1 1 A 81 81 GLN C C 81 173.743 176.979 -3.236 1
1 1030 . 10 1 1 A 81 81 GLN CA C 81 55.894 56.088 -0.194 1
1 1031 . 10 1 1 A 81 81 GLN CB C 81 29.390 28.918 0.472 1
1 1033 . 10 1 1 A 81 81 GLN N N 81 117.056 118.654 -1.598 1
1 1035 . 10 1 1 A 82 82 LEU H H 82 7.495 7.593 -0.098 1
1 1036 . 10 1 1 A 82 82 LEU HA H 82 4.064 4.149 -0.085 1
1 1046 . 10 1 1 A 82 82 LEU C C 82 175.685 176.628 -0.943 1
1 1047 . 10 1 1 A 82 82 LEU CA C 82 55.730 55.470 0.260 1
1 1048 . 10 1 1 A 82 82 LEU CB C 82 41.740 42.374 -0.634 1
1 1052 . 10 1 1 A 82 82 LEU N N 82 123.191 119.266 3.925 1
1 1053 . 10 1 1 A 83 83 ASP H H 83 8.330 8.184 0.146 1
1 1054 . 10 1 1 A 83 83 ASP HA H 83 4.260 4.580 -0.320 1
1 1057 . 10 1 1 A 83 83 ASP C C 83 174.543 177.307 -2.764 1
1 1058 . 10 1 1 A 83 83 ASP CA C 83 57.056 55.896 1.160 1
1 1059 . 10 1 1 A 83 83 ASP CB C 83 41.590 40.653 0.937 1
1 1060 . 10 1 1 A 83 83 ASP N N 83 122.600 118.852 3.748 1
1 1061 . 10 1 1 A 84 84 LYS H H 84 8.152 8.327 -0.175 1
1 1062 . 10 1 1 A 84 84 LYS HA H 84 4.060 4.286 -0.226 1
1 1071 . 10 1 1 A 84 84 LYS C C 84 172.461 176.993 -4.532 1
1 1072 . 10 1 1 A 84 84 LYS CA C 84 57.301 58.379 -1.078 1
1 1073 . 10 1 1 A 84 84 LYS CB C 84 31.140 32.453 -1.313 1
1 1077 . 10 1 1 A 84 84 LYS N N 84 113.797 117.642 -3.845 1
1 1078 . 10 1 1 A 85 85 VAL H H 85 7.290 7.531 -0.241 1
1 1079 . 10 1 1 A 85 85 VAL HA H 85 4.230 4.313 -0.083 1
1 1087 . 10 1 1 A 85 85 VAL C C 85 173.934 175.616 -1.682 1
1 1088 . 10 1 1 A 85 85 VAL CA C 85 63.300 62.121 1.179 1
1 1089 . 10 1 1 A 85 85 VAL CB C 85 32.320 32.837 -0.517 1
1 1092 . 10 1 1 A 85 85 VAL N N 85 118.733 118.740 -0.007 1
1 1093 . 10 1 1 A 86 86 VAL H H 86 9.093 9.056 0.037 1
1 1094 . 10 1 1 A 86 86 VAL HA H 86 4.165 4.486 -0.321 1
1 1102 . 10 1 1 A 86 86 VAL C C 86 173.235 175.679 -2.444 1
1 1103 . 10 1 1 A 86 86 VAL CA C 86 62.144 62.049 0.095 1
1 1104 . 10 1 1 A 86 86 VAL CB C 86 33.397 33.600 -0.203 1
1 1107 . 10 1 1 A 86 86 VAL N N 86 125.341 123.879 1.462 1
1 1108 . 10 1 1 A 87 87 GLN H H 87 7.727 7.402 0.325 1
1 1109 . 10 1 1 A 87 87 GLN HA H 87 4.437 4.925 -0.488 1
1 1114 . 10 1 1 A 87 87 GLN C C 87 170.954 174.219 -3.265 1
1 1115 . 10 1 1 A 87 87 GLN CA C 87 56.370 55.201 1.169 1
1 1116 . 10 1 1 A 87 87 GLN CB C 87 32.420 32.056 0.364 1
1 1118 . 10 1 1 A 87 87 GLN N N 87 119.469 120.737 -1.268 1
1 1119 . 10 1 1 A 88 88 THR H H 88 8.087 8.830 -0.743 1
1 1120 . 10 1 1 A 88 88 THR HA H 88 4.857 5.418 -0.561 1
1 1125 . 10 1 1 A 88 88 THR CA C 88 61.850 60.483 1.367 1
1 1126 . 10 1 1 A 88 88 THR CB C 88 69.900 70.489 -0.589 1
1 1128 . 10 1 1 A 88 88 THR N N 88 119.679 117.718 1.961 1
1 1129 . 10 1 1 A 89 89 LEU HA H 89 4.851 5.359 -0.508 1
1 1139 . 10 1 1 A 89 89 LEU C C 89 174.211 177.425 -3.214 1
1 1140 . 10 1 1 A 89 89 LEU CA C 89 54.590 53.728 0.862 1
1 1141 . 10 1 1 A 89 89 LEU CB C 89 44.176 46.092 -1.916 1
1 1145 . 10 1 1 A 90 90 GLY H H 90 8.697 8.454 0.243 1
1 1146 . 10 1 1 A 90 90 GLY HA2 H 90 4.181 4.107 0.074 1
1 1147 . 10 1 1 A 90 90 GLY HA3 H 90 4.267 4.301 -0.034 1
1 1148 . 10 1 1 A 90 90 GLY C C 90 170.516 173.455 -2.939 1
1 1149 . 10 1 1 A 90 90 GLY CA C 90 45.810 45.640 0.170 1
1 1150 . 10 1 1 A 90 90 GLY N N 90 109.859 110.929 -1.070 1
1 1 . 11 1 1 A 2 2 GLY HA2 H 2 3.721 4.243 -0.522 1
1 2 . 11 1 1 A 2 2 GLY HA3 H 2 3.721 4.244 -0.523 1
1 3 . 11 1 1 A 2 2 GLY CA C 2 43.440 46.016 -2.576 1
1 4 . 11 1 1 A 3 3 HIS HA H 3 4.602 5.012 -0.410 1
1 9 . 11 1 1 A 3 3 HIS C C 3 172.383 173.669 -1.286 1
1 10 . 11 1 1 A 3 3 HIS CA C 3 56.270 55.505 0.765 1
1 11 . 11 1 1 A 3 3 HIS CB C 3 30.850 31.695 -0.845 1
1 14 . 11 1 1 A 4 4 MET H H 4 8.397 8.777 -0.380 1
1 15 . 11 1 1 A 4 4 MET HA H 4 4.720 4.543 0.177 1
1 23 . 11 1 1 A 4 4 MET CA C 4 53.410 53.693 -0.283 1
1 24 . 11 1 1 A 4 4 MET CB C 4 32.550 32.619 -0.069 1
1 27 . 11 1 1 A 4 4 MET N N 4 123.715 125.055 -1.340 1
1 28 . 11 1 1 A 5 5 PRO HA H 5 4.340 4.493 -0.153 1
1 35 . 11 1 1 A 5 5 PRO C C 5 174.369 176.971 -2.602 1
1 36 . 11 1 1 A 5 5 PRO CA C 5 63.686 62.475 1.211 1
1 37 . 11 1 1 A 5 5 PRO CB C 5 32.430 32.540 -0.110 1
1 40 . 11 1 1 A 6 6 SER H H 6 8.337 8.326 0.011 1
1 41 . 11 1 1 A 6 6 SER HA H 6 4.299 4.473 -0.174 1
1 44 . 11 1 1 A 6 6 SER C C 6 171.770 174.212 -2.442 1
1 45 . 11 1 1 A 6 6 SER CA C 6 58.800 57.443 1.357 1
1 46 . 11 1 1 A 6 6 SER CB C 6 63.896 63.678 0.218 1
1 47 . 11 1 1 A 6 6 SER N N 6 115.479 114.927 0.552 1
1 48 . 11 1 1 A 7 7 ASP H H 7 8.269 8.643 -0.374 1
1 49 . 11 1 1 A 7 7 ASP HA H 7 4.545 4.707 -0.162 1
1 52 . 11 1 1 A 7 7 ASP C C 7 173.646 177.092 -3.446 1
1 53 . 11 1 1 A 7 7 ASP CA C 7 54.571 54.509 0.062 1
1 54 . 11 1 1 A 7 7 ASP CB C 7 41.353 41.913 -0.560 1
1 55 . 11 1 1 A 7 7 ASP N N 7 122.367 124.993 -2.626 1
1 56 . 11 1 1 A 8 8 SER H H 8 8.126 8.564 -0.438 1
1 57 . 11 1 1 A 8 8 SER HA H 8 4.337 4.580 -0.243 1
1 60 . 11 1 1 A 8 8 SER C C 8 171.792 174.490 -2.698 1
1 61 . 11 1 1 A 8 8 SER CA C 8 58.950 57.774 1.176 1
1 62 . 11 1 1 A 8 8 SER CB C 8 64.140 62.627 1.513 1
1 63 . 11 1 1 A 8 8 SER N N 8 116.038 114.633 1.405 1
1 64 . 11 1 1 A 9 9 LYS H H 9 8.400 7.351 1.049 1
1 65 . 11 1 1 A 9 9 LYS HA H 9 4.225 4.319 -0.094 1
1 74 . 11 1 1 A 9 9 LYS C C 9 173.626 176.058 -2.432 1
1 75 . 11 1 1 A 9 9 LYS CA C 9 56.391 56.328 0.063 1
1 76 . 11 1 1 A 9 9 LYS CB C 9 32.970 32.659 0.311 1
1 80 . 11 1 1 A 9 9 LYS N N 9 122.400 120.097 2.303 1
1 81 . 11 1 1 A 10 10 LYS H H 10 8.180 8.512 -0.332 1
1 82 . 11 1 1 A 10 10 LYS HA H 10 4.493 4.513 -0.020 1
1 91 . 11 1 1 A 10 10 LYS CA C 10 54.500 54.590 -0.090 1
1 92 . 11 1 1 A 10 10 LYS CB C 10 32.750 31.706 1.044 1
1 96 . 11 1 1 A 10 10 LYS N N 10 123.900 121.698 2.202 1
1 97 . 11 1 1 A 11 11 PRO HA H 11 4.404 4.513 -0.109 1
1 104 . 11 1 1 A 11 11 PRO C C 11 174.099 176.364 -2.265 1
1 105 . 11 1 1 A 11 11 PRO CA C 11 63.451 62.617 0.834 1
1 106 . 11 1 1 A 11 11 PRO CB C 11 32.405 32.004 0.401 1
1 109 . 11 1 1 A 12 12 THR H H 12 8.277 8.445 -0.168 1
1 110 . 11 1 1 A 12 12 THR HA H 12 4.156 4.300 -0.144 1
1 115 . 11 1 1 A 12 12 THR C C 12 171.255 174.076 -2.821 1
1 116 . 11 1 1 A 12 12 THR CA C 12 62.829 63.362 -0.533 1
1 117 . 11 1 1 A 12 12 THR CB C 12 70.113 68.445 1.668 1
1 119 . 11 1 1 A 12 12 THR N N 12 116.775 117.899 -1.124 1
1 120 . 11 1 1 A 13 13 ILE H H 13 8.141 9.205 -1.064 1
1 121 . 11 1 1 A 13 13 ILE HA H 13 3.880 4.671 -0.791 1
1 131 . 11 1 1 A 13 13 ILE C C 13 171.936 174.991 -3.055 1
1 132 . 11 1 1 A 13 13 ILE CA C 13 61.000 60.414 0.586 1
1 133 . 11 1 1 A 13 13 ILE CB C 13 38.957 39.029 -0.072 1
1 137 . 11 1 1 A 13 13 ILE N N 13 126.554 128.234 -1.680 1
1 138 . 11 1 1 A 14 14 ILE H H 14 7.890 8.921 -1.031 1
1 139 . 11 1 1 A 14 14 ILE HA H 14 4.045 4.640 -0.595 1
1 149 . 11 1 1 A 14 14 ILE C C 14 171.624 174.924 -3.300 1
1 150 . 11 1 1 A 14 14 ILE CA C 14 60.132 60.541 -0.409 1
1 151 . 11 1 1 A 14 14 ILE CB C 14 38.760 38.432 0.328 1
1 155 . 11 1 1 A 14 14 ILE N N 14 127.503 128.727 -1.224 1
1 156 . 11 1 1 A 15 15 TYR H H 15 8.185 8.871 -0.686 1
1 165 . 11 1 1 A 15 15 TYR N N 15 123.664 124.623 -0.959 1
1 166 . 11 1 1 A 16 16 PRO HA H 16 5.087 5.372 -0.285 1
1 173 . 11 1 1 A 16 16 PRO C C 16 172.702 175.027 -2.325 1
1 174 . 11 1 1 A 16 16 PRO CA C 16 62.891 62.757 0.134 1
1 175 . 11 1 1 A 16 16 PRO CB C 16 36.288 33.240 3.048 1
1 178 . 11 1 1 A 17 17 CYS H H 17 8.579 8.722 -0.143 1
1 179 . 11 1 1 A 17 17 CYS HA H 17 4.924 4.931 -0.007 1
1 182 . 11 1 1 A 17 17 CYS C C 17 169.725 173.607 -3.882 1
1 183 . 11 1 1 A 17 17 CYS CA C 17 55.925 58.036 -2.111 1
1 184 . 11 1 1 A 17 17 CYS CB C 17 31.200 31.450 -0.250 1
1 185 . 11 1 1 A 17 17 CYS N N 17 114.797 118.669 -3.872 1
1 186 . 11 1 1 A 18 18 LEU H H 18 8.449 8.485 -0.036 1
1 187 . 11 1 1 A 18 18 LEU HA H 18 4.336 4.402 -0.066 1
1 197 . 11 1 1 A 18 18 LEU C C 18 172.529 175.986 -3.457 1
1 198 . 11 1 1 A 18 18 LEU CA C 18 55.600 54.771 0.829 1
1 199 . 11 1 1 A 18 18 LEU CB C 18 42.550 42.175 0.375 1
1 203 . 11 1 1 A 18 18 LEU N N 18 122.242 123.397 -1.155 1
1 204 . 11 1 1 A 19 19 TRP H H 19 9.079 9.017 0.062 1
1 205 . 11 1 1 A 19 19 TRP HA H 19 4.300 5.288 -0.988 1
1 214 . 11 1 1 A 19 19 TRP C C 19 170.195 173.946 -3.751 1
1 215 . 11 1 1 A 19 19 TRP CA C 19 56.750 55.391 1.359 1
1 216 . 11 1 1 A 19 19 TRP CB C 19 33.935 33.144 0.791 1
1 222 . 11 1 1 A 19 19 TRP N N 19 130.082 126.811 3.271 1
1 224 . 11 1 1 A 20 20 ASP H H 20 6.314 8.204 -1.890 1
1 225 . 11 1 1 A 20 20 ASP HA H 20 5.559 4.984 0.575 1
1 228 . 11 1 1 A 20 20 ASP C C 20 172.285 174.501 -2.216 1
1 229 . 11 1 1 A 20 20 ASP CA C 20 52.900 52.938 -0.038 1
1 230 . 11 1 1 A 20 20 ASP CB C 20 43.450 42.230 1.220 1
1 231 . 11 1 1 A 20 20 ASP N N 20 122.801 128.630 -5.829 1
1 232 . 11 1 1 A 21 21 TYR H H 21 9.519 9.398 0.121 1
1 233 . 11 1 1 A 21 21 TYR HA H 21 4.975 5.381 -0.406 1
1 240 . 11 1 1 A 21 21 TYR C C 21 172.202 174.550 -2.348 1
1 241 . 11 1 1 A 21 21 TYR CA C 21 56.910 56.740 0.170 1
1 242 . 11 1 1 A 21 21 TYR CB C 21 40.850 41.726 -0.876 1
1 247 . 11 1 1 A 21 21 TYR N N 21 120.749 126.493 -5.744 1
1 248 . 11 1 1 A 22 22 ARG H H 22 8.758 9.344 -0.586 1
1 249 . 11 1 1 A 22 22 ARG HA H 22 5.189 4.987 0.202 1
1 256 . 11 1 1 A 22 22 ARG C C 22 172.210 175.106 -2.896 1
1 257 . 11 1 1 A 22 22 ARG CA C 22 55.180 55.070 0.110 1
1 258 . 11 1 1 A 22 22 ARG CB C 22 31.360 31.975 -0.615 1
1 261 . 11 1 1 A 22 22 ARG N N 22 124.405 124.439 -0.034 1
1 262 . 11 1 1 A 23 23 VAL H H 23 9.170 9.118 0.052 1
1 263 . 11 1 1 A 23 23 VAL HA H 23 4.591 4.743 -0.152 1
1 271 . 11 1 1 A 23 23 VAL C C 23 171.354 174.827 -3.473 1
1 272 . 11 1 1 A 23 23 VAL CA C 23 61.836 61.710 0.126 1
1 273 . 11 1 1 A 23 23 VAL CB C 23 35.725 33.204 2.521 1
1 276 . 11 1 1 A 23 23 VAL N N 23 125.900 127.127 -1.227 1
1 277 . 11 1 1 A 24 24 ILE H H 24 8.919 9.359 -0.440 1
1 278 . 11 1 1 A 24 24 ILE HA H 24 5.119 5.234 -0.115 1
1 288 . 11 1 1 A 24 24 ILE C C 24 173.492 175.277 -1.785 1
1 289 . 11 1 1 A 24 24 ILE CA C 24 60.567 60.430 0.137 1
1 290 . 11 1 1 A 24 24 ILE CB C 24 38.346 38.667 -0.321 1
1 294 . 11 1 1 A 24 24 ILE N N 24 127.789 128.906 -1.117 1
1 295 . 11 1 1 A 25 25 MET H H 25 9.857 9.187 0.670 1
1 296 . 11 1 1 A 25 25 MET HA H 25 6.017 5.292 0.725 1
1 304 . 11 1 1 A 25 25 MET C C 25 174.379 176.745 -2.366 1
1 305 . 11 1 1 A 25 25 MET CA C 25 54.898 54.144 0.754 1
1 306 . 11 1 1 A 25 25 MET CB C 25 40.260 36.731 3.529 1
1 309 . 11 1 1 A 25 25 MET N N 25 124.403 126.448 -2.045 1
1 310 . 11 1 1 A 26 26 THR H H 26 8.843 8.827 0.016 1
1 311 . 11 1 1 A 26 26 THR HA H 26 4.875 4.785 0.090 1
1 316 . 11 1 1 A 26 26 THR C C 26 170.849 174.348 -3.499 1
1 317 . 11 1 1 A 26 26 THR CA C 26 61.826 61.727 0.099 1
1 318 . 11 1 1 A 26 26 THR CB C 26 68.846 68.854 -0.008 1
1 320 . 11 1 1 A 26 26 THR N N 26 108.669 112.302 -3.633 1
1 321 . 11 1 1 A 27 27 THR H H 27 7.342 7.828 -0.486 1
1 322 . 11 1 1 A 27 27 THR HA H 27 4.618 4.604 0.014 1
1 327 . 11 1 1 A 27 27 THR C C 27 166.898 173.057 -6.159 1
1 328 . 11 1 1 A 27 27 THR CA C 27 58.657 60.680 -2.023 1
1 329 . 11 1 1 A 27 27 THR CB C 27 69.696 69.948 -0.252 1
1 331 . 11 1 1 A 27 27 THR N N 27 114.866 114.312 0.554 1
1 332 . 11 1 1 A 28 28 LYS H H 28 7.638 8.565 -0.927 1
1 333 . 11 1 1 A 28 28 LYS HA H 28 3.991 4.625 -0.634 1
1 342 . 11 1 1 A 28 28 LYS C C 28 173.190 176.467 -3.277 1
1 343 . 11 1 1 A 28 28 LYS CA C 28 55.731 56.434 -0.703 1
1 344 . 11 1 1 A 28 28 LYS CB C 28 32.790 32.447 0.343 1
1 348 . 11 1 1 A 28 28 LYS N N 28 121.283 124.054 -2.771 1
1 349 . 11 1 1 A 29 29 ASP H H 29 8.184 7.575 0.609 1
1 350 . 11 1 1 A 29 29 ASP HA H 29 4.401 4.612 -0.211 1
1 353 . 11 1 1 A 29 29 ASP C C 29 173.830 174.962 -1.132 1
1 354 . 11 1 1 A 29 29 ASP CA C 29 53.979 53.229 0.750 1
1 355 . 11 1 1 A 29 29 ASP CB C 29 40.730 39.805 0.925 1
1 356 . 11 1 1 A 29 29 ASP N N 29 120.231 121.906 -1.675 1
1 357 . 11 1 1 A 30 30 THR H H 30 7.830 8.327 -0.497 1
1 358 . 11 1 1 A 30 30 THR HA H 30 3.742 4.707 -0.965 1
1 363 . 11 1 1 A 30 30 THR C C 30 172.987 173.071 -0.084 1
1 364 . 11 1 1 A 30 30 THR CA C 30 61.299 60.347 0.952 1
1 365 . 11 1 1 A 30 30 THR CB C 30 69.294 69.881 -0.587 1
1 367 . 11 1 1 A 30 30 THR N N 30 115.459 119.881 -4.422 1
1 368 . 11 1 1 A 31 31 SER H H 31 8.561 8.630 -0.069 1
1 369 . 11 1 1 A 31 31 SER HA H 31 3.875 4.619 -0.744 1
1 372 . 11 1 1 A 31 31 SER CA C 31 63.520 60.518 3.002 1
1 373 . 11 1 1 A 31 31 SER CB C 31 62.332 64.578 -2.246 1
1 374 . 11 1 1 A 31 31 SER N N 31 119.763 124.641 -4.878 1
1 375 . 11 1 1 A 32 32 THR HA H 32 3.961 3.942 0.019 1
1 380 . 11 1 1 A 32 32 THR C C 32 173.850 176.202 -2.352 1
1 381 . 11 1 1 A 32 32 THR CA C 32 65.447 66.789 -1.342 1
1 382 . 11 1 1 A 32 32 THR CB C 32 68.715 68.470 0.245 1
1 384 . 11 1 1 A 33 33 LEU H H 33 7.209 8.153 -0.944 1
1 385 . 11 1 1 A 33 33 LEU HA H 33 3.950 3.897 0.053 1
1 395 . 11 1 1 A 33 33 LEU C C 33 174.505 178.699 -4.194 1
1 396 . 11 1 1 A 33 33 LEU CA C 33 57.653 58.491 -0.838 1
1 397 . 11 1 1 A 33 33 LEU CB C 33 42.210 41.487 0.723 1
1 401 . 11 1 1 A 33 33 LEU N N 33 125.158 121.657 3.501 1
1 402 . 11 1 1 A 34 34 LYS H H 34 8.671 7.739 0.932 1
1 403 . 11 1 1 A 34 34 LYS HA H 34 3.552 3.649 -0.097 1
1 412 . 11 1 1 A 34 34 LYS C C 34 174.794 179.991 -5.197 1
1 413 . 11 1 1 A 34 34 LYS CA C 34 61.226 60.476 0.750 1
1 414 . 11 1 1 A 34 34 LYS CB C 34 32.880 32.291 0.589 1
1 418 . 11 1 1 A 34 34 LYS N N 34 119.112 118.601 0.511 1
1 419 . 11 1 1 A 35 35 GLU H H 35 7.813 8.170 -0.357 1
1 420 . 11 1 1 A 35 35 GLU HA H 35 3.863 3.974 -0.111 1
1 425 . 11 1 1 A 35 35 GLU C C 35 176.222 179.143 -2.921 1
1 426 . 11 1 1 A 35 35 GLU CA C 35 59.721 59.124 0.597 1
1 427 . 11 1 1 A 35 35 GLU CB C 35 29.898 29.239 0.659 1
1 429 . 11 1 1 A 35 35 GLU N N 35 116.554 120.560 -4.006 1
1 430 . 11 1 1 A 36 36 LEU H H 36 7.153 7.780 -0.627 1
1 431 . 11 1 1 A 36 36 LEU HA H 36 4.175 3.897 0.278 1
1 441 . 11 1 1 A 36 36 LEU C C 36 177.281 179.089 -1.808 1
1 442 . 11 1 1 A 36 36 LEU CA C 36 58.018 57.963 0.055 1
1 443 . 11 1 1 A 36 36 LEU CB C 36 41.720 41.056 0.664 1
1 447 . 11 1 1 A 36 36 LEU N N 36 119.071 118.898 0.173 1
1 448 . 11 1 1 A 37 37 LEU H H 37 8.245 7.657 0.588 1
1 449 . 11 1 1 A 37 37 LEU HA H 37 3.749 4.020 -0.271 1
1 459 . 11 1 1 A 37 37 LEU C C 37 177.903 179.493 -1.590 1
1 460 . 11 1 1 A 37 37 LEU CA C 37 58.278 58.194 0.084 1
1 461 . 11 1 1 A 37 37 LEU CB C 37 39.600 40.038 -0.438 1
1 465 . 11 1 1 A 37 37 LEU N N 37 121.326 119.065 2.261 1
1 466 . 11 1 1 A 38 38 GLU H H 38 8.641 8.428 0.213 1
1 467 . 11 1 1 A 38 38 GLU HA H 38 4.320 4.263 0.057 1
1 472 . 11 1 1 A 38 38 GLU C C 38 177.074 179.309 -2.235 1
1 473 . 11 1 1 A 38 38 GLU CA C 38 59.619 59.479 0.140 1
1 474 . 11 1 1 A 38 38 GLU CB C 38 29.850 28.902 0.948 1
1 476 . 11 1 1 A 38 38 GLU N N 38 119.504 119.210 0.294 1
1 477 . 11 1 1 A 39 39 THR H H 39 7.653 7.496 0.157 1
1 478 . 11 1 1 A 39 39 THR HA H 39 4.097 4.030 0.067 1
1 483 . 11 1 1 A 39 39 THR C C 39 173.229 175.279 -2.050 1
1 484 . 11 1 1 A 39 39 THR CA C 39 65.080 64.876 0.204 1
1 485 . 11 1 1 A 39 39 THR CB C 39 69.952 68.267 1.685 1
1 487 . 11 1 1 A 39 39 THR N N 39 110.838 112.990 -2.152 1
1 488 . 11 1 1 A 40 40 TYR H H 40 7.478 7.271 0.207 1
1 489 . 11 1 1 A 40 40 TYR HA H 40 4.073 4.679 -0.606 1
1 496 . 11 1 1 A 40 40 TYR C C 40 172.486 175.115 -2.629 1
1 497 . 11 1 1 A 40 40 TYR CA C 40 61.549 57.133 4.416 1
1 498 . 11 1 1 A 40 40 TYR CB C 40 37.140 38.279 -1.139 1
1 503 . 11 1 1 A 40 40 TYR N N 40 118.654 120.501 -1.847 1
1 504 . 11 1 1 A 41 41 GLN H H 41 7.901 8.007 -0.106 1
1 505 . 11 1 1 A 41 41 GLN HA H 41 3.963 3.960 0.003 1
1 512 . 11 1 1 A 41 41 GLN C C 41 171.223 174.202 -2.979 1
1 513 . 11 1 1 A 41 41 GLN CA C 41 57.158 57.297 -0.139 1
1 514 . 11 1 1 A 41 41 GLN CB C 41 27.330 26.315 1.015 1
1 516 . 11 1 1 A 41 41 GLN N N 41 116.315 116.100 0.215 1
1 518 . 11 1 1 A 42 42 ARG H H 42 8.493 7.815 0.678 1
1 519 . 11 1 1 A 42 42 ARG HA H 42 5.052 5.000 0.052 1
1 527 . 11 1 1 A 42 42 ARG CA C 42 54.040 53.931 0.109 1
1 528 . 11 1 1 A 42 42 ARG CB C 42 30.650 32.327 -1.677 1
1 531 . 11 1 1 A 42 42 ARG N N 42 115.494 115.630 -0.136 1
1 533 . 11 1 1 A 43 43 PRO HA H 43 4.390 4.832 -0.442 1
1 540 . 11 1 1 A 43 43 PRO C C 43 172.836 176.372 -3.536 1
1 541 . 11 1 1 A 43 43 PRO CA C 43 63.574 62.650 0.924 1
1 542 . 11 1 1 A 43 43 PRO CB C 43 32.500 33.431 -0.931 1
1 545 . 11 1 1 A 44 44 PHE H H 44 7.742 8.606 -0.864 1
1 546 . 11 1 1 A 44 44 PHE HA H 44 5.281 5.317 -0.036 1
1 554 . 11 1 1 A 44 44 PHE C C 44 170.840 172.152 -1.312 1
1 555 . 11 1 1 A 44 44 PHE CA C 44 56.174 56.268 -0.094 1
1 556 . 11 1 1 A 44 44 PHE CB C 44 42.280 41.237 1.043 1
1 562 . 11 1 1 A 44 44 PHE N N 44 115.046 117.193 -2.147 1
1 563 . 11 1 1 A 45 45 LYS H H 45 8.944 8.995 -0.051 1
1 564 . 11 1 1 A 45 45 LYS HA H 45 4.641 5.140 -0.499 1
1 573 . 11 1 1 A 45 45 LYS C C 45 171.934 174.204 -2.270 1
1 574 . 11 1 1 A 45 45 LYS CA C 45 55.210 54.660 0.550 1
1 575 . 11 1 1 A 45 45 LYS CB C 45 35.600 35.940 -0.340 1
1 579 . 11 1 1 A 45 45 LYS N N 45 121.090 120.641 0.449 1
1 580 . 11 1 1 A 46 46 LEU H H 46 8.897 8.941 -0.044 1
1 581 . 11 1 1 A 46 46 LEU HA H 46 5.332 5.224 0.108 1
1 590 . 11 1 1 A 46 46 LEU C C 46 172.666 174.832 -2.166 1
1 591 . 11 1 1 A 46 46 LEU CA C 46 54.510 54.096 0.414 1
1 592 . 11 1 1 A 46 46 LEU CB C 46 44.620 44.690 -0.070 1
1 595 . 11 1 1 A 46 46 LEU N N 46 128.615 127.703 0.912 1
1 596 . 11 1 1 A 47 47 GLU H H 47 9.220 8.837 0.383 1
1 597 . 11 1 1 A 47 47 GLU HA H 47 4.911 5.092 -0.181 1
1 602 . 11 1 1 A 47 47 GLU C C 47 172.392 175.350 -2.958 1
1 603 . 11 1 1 A 47 47 GLU CA C 47 54.980 55.100 -0.120 1
1 604 . 11 1 1 A 47 47 GLU CB C 47 34.490 33.151 1.339 1
1 606 . 11 1 1 A 47 47 GLU N N 47 125.300 125.782 -0.482 1
1 607 . 11 1 1 A 48 48 PHE H H 48 9.157 9.339 -0.182 1
1 608 . 11 1 1 A 48 48 PHE HA H 48 4.302 4.816 -0.514 1
1 616 . 11 1 1 A 48 48 PHE C C 48 171.971 174.909 -2.938 1
1 617 . 11 1 1 A 48 48 PHE CA C 48 58.240 58.336 -0.096 1
1 618 . 11 1 1 A 48 48 PHE CB C 48 39.410 40.157 -0.747 1
1 624 . 11 1 1 A 48 48 PHE N N 48 126.911 126.968 -0.057 1
1 625 . 11 1 1 A 49 49 LYS H H 49 8.256 8.710 -0.454 1
1 626 . 11 1 1 A 49 49 LYS HA H 49 4.176 4.159 0.017 1
1 635 . 11 1 1 A 49 49 LYS C C 49 172.030 176.005 -3.975 1
1 636 . 11 1 1 A 49 49 LYS CA C 49 55.244 57.644 -2.400 1
1 637 . 11 1 1 A 49 49 LYS CB C 49 32.640 32.455 0.185 1
1 641 . 11 1 1 A 49 49 LYS N N 49 127.526 126.010 1.516 1
1 642 . 11 1 1 A 50 50 ASN H H 50 7.062 7.264 -0.202 1
1 643 . 11 1 1 A 50 50 ASN HA H 50 4.353 4.767 -0.414 1
1 648 . 11 1 1 A 50 50 ASN C C 50 171.278 172.894 -1.616 1
1 649 . 11 1 1 A 50 50 ASN CA C 50 53.807 52.603 1.204 1
1 650 . 11 1 1 A 50 50 ASN CB C 50 40.460 42.728 -2.268 1
1 651 . 11 1 1 A 50 50 ASN N N 50 115.764 112.802 2.962 1
1 653 . 11 1 1 A 51 51 THR H H 51 8.217 8.770 -0.553 1
1 654 . 11 1 1 A 51 51 THR HA H 51 4.685 4.699 -0.014 1
1 659 . 11 1 1 A 51 51 THR C C 51 171.816 174.254 -2.438 1
1 660 . 11 1 1 A 51 51 THR CA C 51 61.243 62.131 -0.888 1
1 661 . 11 1 1 A 51 51 THR CB C 51 70.632 70.172 0.460 1
1 663 . 11 1 1 A 51 51 THR N N 51 114.341 119.297 -4.956 1
1 664 . 11 1 1 A 52 52 SER H H 52 8.314 9.092 -0.778 1
1 665 . 11 1 1 A 52 52 SER HA H 52 4.395 4.557 -0.162 1
1 668 . 11 1 1 A 52 52 SER CA C 52 58.470 58.495 -0.025 1
1 669 . 11 1 1 A 52 52 SER CB C 52 64.580 64.229 0.351 1
1 670 . 11 1 1 A 52 52 SER N N 52 118.503 121.373 -2.870 1
1 671 . 11 1 1 A 54 54 ASN HA H 54 4.484 4.782 -0.298 1
1 676 . 11 1 1 A 54 54 ASN C C 54 171.753 174.607 -2.854 1
1 677 . 11 1 1 A 54 54 ASN CA C 54 53.296 52.742 0.554 1
1 678 . 11 1 1 A 54 54 ASN CB C 54 38.080 38.777 -0.697 1
1 680 . 11 1 1 A 55 55 ALA H H 55 7.927 8.057 -0.130 1
1 681 . 11 1 1 A 55 55 ALA HA H 55 3.759 4.360 -0.601 1
1 685 . 11 1 1 A 55 55 ALA C C 55 173.386 177.041 -3.655 1
1 686 . 11 1 1 A 55 55 ALA CA C 55 53.266 53.755 -0.489 1
1 687 . 11 1 1 A 55 55 ALA CB C 55 18.180 18.009 0.171 1
1 688 . 11 1 1 A 55 55 ALA N N 55 120.429 120.459 -0.030 1
1 689 . 11 1 1 A 56 56 LYS H H 56 7.426 7.452 -0.026 1
1 690 . 11 1 1 A 56 56 LYS HA H 56 3.919 3.814 0.105 1
1 702 . 11 1 1 A 56 56 LYS C C 56 172.612 175.836 -3.224 1
1 703 . 11 1 1 A 56 56 LYS CA C 56 57.113 57.601 -0.488 1
1 704 . 11 1 1 A 56 56 LYS CB C 56 33.566 32.953 0.613 1
1 708 . 11 1 1 A 56 56 LYS N N 56 116.392 117.395 -1.003 1
1 710 . 11 1 1 A 57 57 PHE H H 57 7.253 7.597 -0.344 1
1 711 . 11 1 1 A 57 57 PHE HA H 57 5.062 5.125 -0.063 1
1 719 . 11 1 1 A 57 57 PHE C C 57 171.527 173.935 -2.408 1
1 720 . 11 1 1 A 57 57 PHE CA C 57 54.920 56.185 -1.265 1
1 721 . 11 1 1 A 57 57 PHE CB C 57 41.910 41.783 0.127 1
1 727 . 11 1 1 A 57 57 PHE N N 57 113.835 116.154 -2.319 1
1 728 . 11 1 1 A 58 58 TYR H H 58 9.172 9.450 -0.278 1
1 729 . 11 1 1 A 58 58 TYR HA H 58 4.746 5.142 -0.396 1
1 736 . 11 1 1 A 58 58 TYR C C 58 171.294 174.421 -3.127 1
1 737 . 11 1 1 A 58 58 TYR CA C 58 57.770 56.322 1.448 1
1 738 . 11 1 1 A 58 58 TYR CB C 58 41.784 40.842 0.942 1
1 743 . 11 1 1 A 58 58 TYR N N 58 121.139 121.838 -0.699 1
1 744 . 11 1 1 A 59 59 SER H H 59 8.786 8.651 0.135 1
1 745 . 11 1 1 A 59 59 SER HA H 59 5.399 4.752 0.647 1
1 748 . 11 1 1 A 59 59 SER C C 59 170.105 173.574 -3.469 1
1 749 . 11 1 1 A 59 59 SER CA C 59 57.650 57.147 0.503 1
1 750 . 11 1 1 A 59 59 SER CB C 59 65.220 63.804 1.416 1
1 751 . 11 1 1 A 59 59 SER N N 59 118.511 120.209 -1.698 1
1 752 . 11 1 1 A 60 60 PHE H H 60 9.389 9.578 -0.189 1
1 753 . 11 1 1 A 60 60 PHE HA H 60 5.210 5.165 0.045 1
1 761 . 11 1 1 A 60 60 PHE C C 60 172.188 174.358 -2.170 1
1 762 . 11 1 1 A 60 60 PHE CA C 60 56.824 56.518 0.306 1
1 763 . 11 1 1 A 60 60 PHE CB C 60 43.645 41.944 1.701 1
1 769 . 11 1 1 A 60 60 PHE N N 60 121.864 127.786 -5.922 1
1 770 . 11 1 1 A 61 61 ASN H H 61 9.448 9.377 0.071 1
1 771 . 11 1 1 A 61 61 ASN HA H 61 5.564 5.622 -0.058 1
1 776 . 11 1 1 A 61 61 ASN C C 61 171.756 174.051 -2.295 1
1 777 . 11 1 1 A 61 61 ASN CA C 61 53.012 51.982 1.030 1
1 778 . 11 1 1 A 61 61 ASN CB C 61 42.580 41.765 0.815 1
1 779 . 11 1 1 A 61 61 ASN N N 61 121.107 119.286 1.821 1
1 781 . 11 1 1 A 62 62 VAL H H 62 9.361 8.913 0.448 1
1 782 . 11 1 1 A 62 62 VAL HA H 62 5.159 5.318 -0.159 1
1 790 . 11 1 1 A 62 62 VAL C C 62 171.964 174.946 -2.982 1
1 791 . 11 1 1 A 62 62 VAL CA C 62 60.991 61.334 -0.343 1
1 792 . 11 1 1 A 62 62 VAL CB C 62 35.350 34.106 1.244 1
1 795 . 11 1 1 A 62 62 VAL N N 62 126.781 126.045 0.736 1
1 796 . 11 1 1 A 63 63 SER H H 63 8.750 9.144 -0.394 1
1 797 . 11 1 1 A 63 63 SER HA H 63 5.955 5.873 0.082 1
1 800 . 11 1 1 A 63 63 SER C C 63 171.905 173.777 -1.872 1
1 801 . 11 1 1 A 63 63 SER CA C 63 56.587 56.683 -0.096 1
1 802 . 11 1 1 A 63 63 SER CB C 63 65.231 65.490 -0.259 1
1 803 . 11 1 1 A 63 63 SER N N 63 120.886 121.997 -1.111 1
1 804 . 11 1 1 A 64 64 MET H H 64 8.918 8.785 0.133 1
1 805 . 11 1 1 A 64 64 MET HA H 64 4.622 5.262 -0.640 1
1 813 . 11 1 1 A 64 64 MET C C 64 170.352 174.780 -4.428 1
1 814 . 11 1 1 A 64 64 MET CA C 64 55.950 54.025 1.925 1
1 815 . 11 1 1 A 64 64 MET CB C 64 38.000 36.083 1.917 1
1 818 . 11 1 1 A 64 64 MET N N 64 123.839 121.846 1.993 1
1 819 . 11 1 1 A 65 65 GLU H H 65 9.213 8.559 0.654 1
1 820 . 11 1 1 A 65 65 GLU HA H 65 4.740 4.955 -0.215 1
1 825 . 11 1 1 A 65 65 GLU C C 65 172.659 176.507 -3.848 1
1 826 . 11 1 1 A 65 65 GLU CA C 65 57.547 56.849 0.698 1
1 827 . 11 1 1 A 65 65 GLU CB C 65 31.100 30.506 0.594 1
1 829 . 11 1 1 A 65 65 GLU N N 65 125.938 120.265 5.673 1
1 830 . 11 1 1 A 66 66 VAL H H 66 9.031 8.950 0.081 1
1 831 . 11 1 1 A 66 66 VAL HA H 66 4.632 4.847 -0.215 1
1 839 . 11 1 1 A 66 66 VAL C C 66 174.252 175.628 -1.376 1
1 840 . 11 1 1 A 66 66 VAL CA C 66 59.454 60.089 -0.635 1
1 841 . 11 1 1 A 66 66 VAL CB C 66 35.450 34.955 0.495 1
1 844 . 11 1 1 A 66 66 VAL N N 66 117.398 117.395 0.003 1
1 845 . 11 1 1 A 67 67 SER H H 67 9.309 8.971 0.338 1
1 846 . 11 1 1 A 67 67 SER HA H 67 4.185 4.593 -0.408 1
1 849 . 11 1 1 A 67 67 SER C C 67 170.646 174.735 -4.089 1
1 850 . 11 1 1 A 67 67 SER CA C 67 61.719 59.872 1.847 1
1 851 . 11 1 1 A 67 67 SER CB C 67 64.540 64.316 0.224 1
1 852 . 11 1 1 A 67 67 SER N N 67 116.754 119.835 -3.081 1
1 853 . 11 1 1 A 68 68 ASN H H 68 7.279 7.439 -0.160 1
1 854 . 11 1 1 A 68 68 ASN HA H 68 3.345 4.774 -1.429 1
1 859 . 11 1 1 A 68 68 ASN C C 68 170.781 175.329 -4.548 1
1 860 . 11 1 1 A 68 68 ASN CA C 68 51.758 51.560 0.198 1
1 861 . 11 1 1 A 68 68 ASN CB C 68 38.809 40.435 -1.626 1
1 862 . 11 1 1 A 68 68 ASN N N 68 110.062 115.480 -5.418 1
1 864 . 11 1 1 A 69 69 GLU H H 69 8.126 8.380 -0.254 1
1 865 . 11 1 1 A 69 69 GLU HA H 69 3.337 3.592 -0.255 1
1 870 . 11 1 1 A 69 69 GLU C C 69 174.537 178.283 -3.746 1
1 871 . 11 1 1 A 69 69 GLU CA C 69 59.749 58.839 0.910 1
1 872 . 11 1 1 A 69 69 GLU CB C 69 30.250 28.686 1.564 1
1 874 . 11 1 1 A 69 69 GLU N N 69 120.604 120.093 0.511 1
1 875 . 11 1 1 A 70 70 SER H H 70 7.981 7.594 0.387 1
1 876 . 11 1 1 A 70 70 SER HA H 70 4.030 4.039 -0.009 1
1 879 . 11 1 1 A 70 70 SER C C 70 174.715 176.846 -2.131 1
1 880 . 11 1 1 A 70 70 SER CA C 70 62.097 61.595 0.502 1
1 881 . 11 1 1 A 70 70 SER CB C 70 62.350 62.912 -0.562 1
1 882 . 11 1 1 A 70 70 SER N N 70 114.770 117.521 -2.751 1
1 883 . 11 1 1 A 71 71 GLU H H 71 8.572 7.495 1.077 1
1 884 . 11 1 1 A 71 71 GLU HA H 71 3.927 4.064 -0.137 1
1 889 . 11 1 1 A 71 71 GLU C C 71 174.769 178.849 -4.080 1
1 890 . 11 1 1 A 71 71 GLU CA C 71 59.849 59.289 0.560 1
1 891 . 11 1 1 A 71 71 GLU CB C 71 30.950 29.100 1.850 1
1 893 . 11 1 1 A 71 71 GLU N N 71 124.163 122.202 1.961 1
1 894 . 11 1 1 A 72 72 ARG H H 72 7.797 7.864 -0.067 1
1 895 . 11 1 1 A 72 72 ARG HA H 72 3.776 4.066 -0.290 1
1 900 . 11 1 1 A 72 72 ARG C C 72 177.552 179.130 -1.578 1
1 901 . 11 1 1 A 72 72 ARG CA C 72 58.680 59.239 -0.559 1
1 902 . 11 1 1 A 72 72 ARG CB C 72 30.110 29.768 0.342 1
1 905 . 11 1 1 A 72 72 ARG N N 72 118.396 120.690 -2.294 1
1 906 . 11 1 1 A 73 73 ASN H H 73 8.175 7.915 0.260 1
1 907 . 11 1 1 A 73 73 ASN HA H 73 4.461 4.561 -0.100 1
1 912 . 11 1 1 A 73 73 ASN C C 73 174.089 177.815 -3.726 1
1 913 . 11 1 1 A 73 73 ASN CA C 73 55.500 56.054 -0.554 1
1 914 . 11 1 1 A 73 73 ASN CB C 73 37.844 38.016 -0.172 1
1 915 . 11 1 1 A 73 73 ASN N N 73 118.156 117.774 0.382 1
1 917 . 11 1 1 A 74 74 GLU H H 74 8.473 8.247 0.226 1
1 918 . 11 1 1 A 74 74 GLU HA H 74 3.954 4.136 -0.182 1
1 923 . 11 1 1 A 74 74 GLU C C 74 175.719 179.404 -3.685 1
1 924 . 11 1 1 A 74 74 GLU CA C 74 60.093 59.425 0.668 1
1 925 . 11 1 1 A 74 74 GLU CB C 74 30.460 29.661 0.799 1
1 927 . 11 1 1 A 74 74 GLU N N 74 124.825 119.619 5.206 1
1 928 . 11 1 1 A 75 75 ILE H H 75 8.273 8.321 -0.048 1
1 929 . 11 1 1 A 75 75 ILE HA H 75 3.229 3.697 -0.468 1
1 939 . 11 1 1 A 75 75 ILE C C 75 174.591 178.219 -3.628 1
1 940 . 11 1 1 A 75 75 ILE CA C 75 66.460 65.164 1.296 1
1 941 . 11 1 1 A 75 75 ILE CB C 75 38.262 37.301 0.961 1
1 945 . 11 1 1 A 75 75 ILE N N 75 120.282 120.174 0.108 1
1 946 . 11 1 1 A 76 76 PHE H H 76 7.233 8.166 -0.933 1
1 947 . 11 1 1 A 76 76 PHE HA H 76 3.600 4.097 -0.497 1
1 955 . 11 1 1 A 76 76 PHE C C 76 175.036 177.834 -2.798 1
1 956 . 11 1 1 A 76 76 PHE CA C 76 62.227 61.714 0.513 1
1 957 . 11 1 1 A 76 76 PHE CB C 76 40.170 39.425 0.745 1
1 963 . 11 1 1 A 76 76 PHE N N 76 117.265 121.249 -3.984 1
1 964 . 11 1 1 A 77 77 GLN H H 77 8.262 8.285 -0.023 1
1 965 . 11 1 1 A 77 77 GLN HA H 77 3.753 3.650 0.103 1
1 972 . 11 1 1 A 77 77 GLN C C 77 176.132 178.789 -2.657 1
1 973 . 11 1 1 A 77 77 GLN CA C 77 59.113 59.562 -0.449 1
1 974 . 11 1 1 A 77 77 GLN CB C 77 28.487 29.250 -0.763 1
1 976 . 11 1 1 A 77 77 GLN N N 77 118.919 118.609 0.310 1
1 978 . 11 1 1 A 78 78 LYS H H 78 8.508 7.584 0.924 1
1 979 . 11 1 1 A 78 78 LYS HA H 78 3.804 4.096 -0.292 1
1 988 . 11 1 1 A 78 78 LYS C C 78 177.438 179.463 -2.025 1
1 989 . 11 1 1 A 78 78 LYS CA C 78 60.107 59.279 0.828 1
1 990 . 11 1 1 A 78 78 LYS CB C 78 33.160 32.477 0.683 1
1 994 . 11 1 1 A 78 78 LYS N N 78 119.345 119.259 0.086 1
1 995 . 11 1 1 A 79 79 ILE H H 79 8.395 8.244 0.151 1
1 996 . 11 1 1 A 79 79 ILE HA H 79 3.182 3.744 -0.562 1
1 1006 . 11 1 1 A 79 79 ILE C C 79 174.721 176.583 -1.862 1
1 1007 . 11 1 1 A 79 79 ILE CA C 79 66.280 65.194 1.086 1
1 1008 . 11 1 1 A 79 79 ILE CB C 79 38.360 37.738 0.622 1
1 1012 . 11 1 1 A 79 79 ILE N N 79 120.117 120.505 -0.388 1
1 1013 . 11 1 1 A 80 80 SER H H 80 7.459 7.488 -0.029 1
1 1014 . 11 1 1 A 80 80 SER HA H 80 3.868 4.334 -0.466 1
1 1017 . 11 1 1 A 80 80 SER C C 80 171.998 175.260 -3.262 1
1 1018 . 11 1 1 A 80 80 SER CA C 80 61.444 58.579 2.865 1
1 1019 . 11 1 1 A 80 80 SER CB C 80 63.500 62.913 0.587 1
1 1020 . 11 1 1 A 80 80 SER N N 80 110.857 116.086 -5.229 1
1 1021 . 11 1 1 A 81 81 GLN H H 81 7.095 7.829 -0.734 1
1 1022 . 11 1 1 A 81 81 GLN HA H 81 4.143 4.484 -0.341 1
1 1029 . 11 1 1 A 81 81 GLN C C 81 173.743 176.407 -2.664 1
1 1030 . 11 1 1 A 81 81 GLN CA C 81 55.894 55.442 0.452 1
1 1031 . 11 1 1 A 81 81 GLN CB C 81 29.390 29.372 0.018 1
1 1033 . 11 1 1 A 81 81 GLN N N 81 117.056 120.171 -3.115 1
1 1035 . 11 1 1 A 82 82 LEU H H 82 7.495 7.656 -0.161 1
1 1036 . 11 1 1 A 82 82 LEU HA H 82 4.064 4.143 -0.079 1
1 1046 . 11 1 1 A 82 82 LEU C C 82 175.685 176.387 -0.702 1
1 1047 . 11 1 1 A 82 82 LEU CA C 82 55.730 55.416 0.314 1
1 1048 . 11 1 1 A 82 82 LEU CB C 82 41.740 42.308 -0.568 1
1 1052 . 11 1 1 A 82 82 LEU N N 82 123.191 119.601 3.590 1
1 1053 . 11 1 1 A 83 83 ASP H H 83 8.330 8.189 0.141 1
1 1054 . 11 1 1 A 83 83 ASP HA H 83 4.260 4.583 -0.323 1
1 1057 . 11 1 1 A 83 83 ASP C C 83 174.543 177.344 -2.801 1
1 1058 . 11 1 1 A 83 83 ASP CA C 83 57.056 55.934 1.122 1
1 1059 . 11 1 1 A 83 83 ASP CB C 83 41.590 40.651 0.939 1
1 1060 . 11 1 1 A 83 83 ASP N N 83 122.600 118.864 3.736 1
1 1061 . 11 1 1 A 84 84 LYS H H 84 8.152 8.424 -0.272 1
1 1062 . 11 1 1 A 84 84 LYS HA H 84 4.060 4.293 -0.233 1
1 1071 . 11 1 1 A 84 84 LYS C C 84 172.461 177.067 -4.606 1
1 1072 . 11 1 1 A 84 84 LYS CA C 84 57.301 58.092 -0.791 1
1 1073 . 11 1 1 A 84 84 LYS CB C 84 31.140 32.580 -1.440 1
1 1077 . 11 1 1 A 84 84 LYS N N 84 113.797 117.363 -3.566 1
1 1078 . 11 1 1 A 85 85 VAL H H 85 7.290 7.553 -0.263 1
1 1079 . 11 1 1 A 85 85 VAL HA H 85 4.230 4.417 -0.187 1
1 1087 . 11 1 1 A 85 85 VAL C C 85 173.934 176.150 -2.216 1
1 1088 . 11 1 1 A 85 85 VAL CA C 85 63.300 62.513 0.787 1
1 1089 . 11 1 1 A 85 85 VAL CB C 85 32.320 32.688 -0.368 1
1 1092 . 11 1 1 A 85 85 VAL N N 85 118.733 119.126 -0.393 1
1 1093 . 11 1 1 A 86 86 VAL H H 86 9.093 9.172 -0.079 1
1 1094 . 11 1 1 A 86 86 VAL HA H 86 4.165 4.435 -0.270 1
1 1102 . 11 1 1 A 86 86 VAL C C 86 173.235 175.682 -2.447 1
1 1103 . 11 1 1 A 86 86 VAL CA C 86 62.144 62.251 -0.107 1
1 1104 . 11 1 1 A 86 86 VAL CB C 86 33.397 33.111 0.286 1
1 1107 . 11 1 1 A 86 86 VAL N N 86 125.341 123.637 1.704 1
1 1108 . 11 1 1 A 87 87 GLN H H 87 7.727 7.352 0.375 1
1 1109 . 11 1 1 A 87 87 GLN HA H 87 4.437 4.837 -0.400 1
1 1114 . 11 1 1 A 87 87 GLN C C 87 170.954 174.050 -3.096 1
1 1115 . 11 1 1 A 87 87 GLN CA C 87 56.370 55.452 0.918 1
1 1116 . 11 1 1 A 87 87 GLN CB C 87 32.420 32.253 0.167 1
1 1118 . 11 1 1 A 87 87 GLN N N 87 119.469 120.651 -1.182 1
1 1119 . 11 1 1 A 88 88 THR H H 88 8.087 8.756 -0.669 1
1 1120 . 11 1 1 A 88 88 THR HA H 88 4.857 5.427 -0.570 1
1 1125 . 11 1 1 A 88 88 THR CA C 88 61.850 60.685 1.165 1
1 1126 . 11 1 1 A 88 88 THR CB C 88 69.900 70.884 -0.984 1
1 1128 . 11 1 1 A 88 88 THR N N 88 119.679 115.948 3.731 1
1 1129 . 11 1 1 A 89 89 LEU HA H 89 4.851 5.130 -0.279 1
1 1139 . 11 1 1 A 89 89 LEU C C 89 174.211 177.370 -3.159 1
1 1140 . 11 1 1 A 89 89 LEU CA C 89 54.590 53.299 1.291 1
1 1141 . 11 1 1 A 89 89 LEU CB C 89 44.176 42.684 1.492 1
1 1145 . 11 1 1 A 90 90 GLY H H 90 8.697 9.053 -0.356 1
1 1146 . 11 1 1 A 90 90 GLY HA2 H 90 4.181 3.747 0.434 1
1 1147 . 11 1 1 A 90 90 GLY HA3 H 90 4.267 4.100 0.167 1
1 1148 . 11 1 1 A 90 90 GLY C C 90 170.516 173.806 -3.290 1
1 1149 . 11 1 1 A 90 90 GLY CA C 90 45.810 45.820 -0.010 1
1 1150 . 11 1 1 A 90 90 GLY N N 90 109.859 113.700 -3.841 1
1 1 . 12 1 1 A 2 2 GLY HA2 H 2 3.721 4.017 -0.296 1
1 2 . 12 1 1 A 2 2 GLY HA3 H 2 3.721 4.039 -0.318 1
1 3 . 12 1 1 A 2 2 GLY CA C 2 43.440 44.650 -1.210 1
1 4 . 12 1 1 A 3 3 HIS HA H 3 4.602 5.110 -0.508 1
1 9 . 12 1 1 A 3 3 HIS C C 3 172.383 174.510 -2.127 1
1 10 . 12 1 1 A 3 3 HIS CA C 3 56.270 54.643 1.627 1
1 11 . 12 1 1 A 3 3 HIS CB C 3 30.850 31.146 -0.296 1
1 14 . 12 1 1 A 4 4 MET H H 4 8.397 8.560 -0.163 1
1 15 . 12 1 1 A 4 4 MET HA H 4 4.720 4.688 0.032 1
1 23 . 12 1 1 A 4 4 MET CA C 4 53.410 55.022 -1.612 1
1 24 . 12 1 1 A 4 4 MET CB C 4 32.550 32.176 0.374 1
1 27 . 12 1 1 A 4 4 MET N N 4 123.715 123.914 -0.199 1
1 28 . 12 1 1 A 5 5 PRO HA H 5 4.340 4.580 -0.240 1
1 35 . 12 1 1 A 5 5 PRO C C 5 174.369 176.641 -2.272 1
1 36 . 12 1 1 A 5 5 PRO CA C 5 63.686 62.611 1.075 1
1 37 . 12 1 1 A 5 5 PRO CB C 5 32.430 32.388 0.042 1
1 40 . 12 1 1 A 6 6 SER H H 6 8.337 8.465 -0.128 1
1 41 . 12 1 1 A 6 6 SER HA H 6 4.299 4.640 -0.341 1
1 44 . 12 1 1 A 6 6 SER C C 6 171.770 173.985 -2.215 1
1 45 . 12 1 1 A 6 6 SER CA C 6 58.800 57.822 0.978 1
1 46 . 12 1 1 A 6 6 SER CB C 6 63.896 62.598 1.298 1
1 47 . 12 1 1 A 6 6 SER N N 6 115.479 115.368 0.111 1
1 48 . 12 1 1 A 7 7 ASP H H 7 8.269 8.403 -0.134 1
1 49 . 12 1 1 A 7 7 ASP HA H 7 4.545 4.993 -0.448 1
1 52 . 12 1 1 A 7 7 ASP C C 7 173.646 176.229 -2.583 1
1 53 . 12 1 1 A 7 7 ASP CA C 7 54.571 53.254 1.317 1
1 54 . 12 1 1 A 7 7 ASP CB C 7 41.353 42.792 -1.439 1
1 55 . 12 1 1 A 7 7 ASP N N 7 122.367 126.950 -4.583 1
1 56 . 12 1 1 A 8 8 SER H H 8 8.126 8.777 -0.651 1
1 57 . 12 1 1 A 8 8 SER HA H 8 4.337 4.554 -0.217 1
1 60 . 12 1 1 A 8 8 SER C C 8 171.792 172.951 -1.159 1
1 61 . 12 1 1 A 8 8 SER CA C 8 58.950 58.171 0.779 1
1 62 . 12 1 1 A 8 8 SER CB C 8 64.140 61.110 3.030 1
1 63 . 12 1 1 A 8 8 SER N N 8 116.038 117.920 -1.882 1
1 64 . 12 1 1 A 9 9 LYS H H 9 8.400 8.734 -0.334 1
1 65 . 12 1 1 A 9 9 LYS HA H 9 4.225 4.807 -0.582 1
1 74 . 12 1 1 A 9 9 LYS C C 9 173.626 175.565 -1.939 1
1 75 . 12 1 1 A 9 9 LYS CA C 9 56.391 54.951 1.440 1
1 76 . 12 1 1 A 9 9 LYS CB C 9 32.970 35.507 -2.537 1
1 80 . 12 1 1 A 9 9 LYS N N 9 122.400 121.871 0.529 1
1 81 . 12 1 1 A 10 10 LYS H H 10 8.180 8.737 -0.557 1
1 82 . 12 1 1 A 10 10 LYS HA H 10 4.493 4.400 0.093 1
1 91 . 12 1 1 A 10 10 LYS CA C 10 54.500 57.877 -3.377 1
1 92 . 12 1 1 A 10 10 LYS CB C 10 32.750 31.456 1.294 1
1 96 . 12 1 1 A 10 10 LYS N N 10 123.900 118.545 5.355 1
1 97 . 12 1 1 A 11 11 PRO HA H 11 4.404 4.508 -0.104 1
1 104 . 12 1 1 A 11 11 PRO C C 11 174.099 176.903 -2.804 1
1 105 . 12 1 1 A 11 11 PRO CA C 11 63.451 63.002 0.449 1
1 106 . 12 1 1 A 11 11 PRO CB C 11 32.405 31.483 0.922 1
1 109 . 12 1 1 A 12 12 THR H H 12 8.277 8.373 -0.096 1
1 110 . 12 1 1 A 12 12 THR HA H 12 4.156 4.328 -0.172 1
1 115 . 12 1 1 A 12 12 THR C C 12 171.255 174.175 -2.920 1
1 116 . 12 1 1 A 12 12 THR CA C 12 62.829 63.454 -0.625 1
1 117 . 12 1 1 A 12 12 THR CB C 12 70.113 68.705 1.408 1
1 119 . 12 1 1 A 12 12 THR N N 12 116.775 118.601 -1.826 1
1 120 . 12 1 1 A 13 13 ILE H H 13 8.141 8.975 -0.834 1
1 121 . 12 1 1 A 13 13 ILE HA H 13 3.880 4.881 -1.001 1
1 131 . 12 1 1 A 13 13 ILE C C 13 171.936 174.931 -2.995 1
1 132 . 12 1 1 A 13 13 ILE CA C 13 61.000 59.863 1.137 1
1 133 . 12 1 1 A 13 13 ILE CB C 13 38.957 38.805 0.152 1
1 137 . 12 1 1 A 13 13 ILE N N 13 126.554 128.341 -1.787 1
1 138 . 12 1 1 A 14 14 ILE H H 14 7.890 9.170 -1.280 1
1 139 . 12 1 1 A 14 14 ILE HA H 14 4.045 4.642 -0.597 1
1 149 . 12 1 1 A 14 14 ILE C C 14 171.624 174.993 -3.369 1
1 150 . 12 1 1 A 14 14 ILE CA C 14 60.132 60.385 -0.253 1
1 151 . 12 1 1 A 14 14 ILE CB C 14 38.760 39.114 -0.354 1
1 155 . 12 1 1 A 14 14 ILE N N 14 127.503 129.280 -1.777 1
1 156 . 12 1 1 A 15 15 TYR H H 15 8.185 9.012 -0.827 1
1 165 . 12 1 1 A 15 15 TYR N N 15 123.664 127.820 -4.156 1
1 166 . 12 1 1 A 16 16 PRO HA H 16 5.087 5.112 -0.025 1
1 173 . 12 1 1 A 16 16 PRO C C 16 172.702 175.393 -2.691 1
1 174 . 12 1 1 A 16 16 PRO CA C 16 62.891 62.552 0.339 1
1 175 . 12 1 1 A 16 16 PRO CB C 16 36.288 32.968 3.320 1
1 178 . 12 1 1 A 17 17 CYS H H 17 8.579 8.305 0.274 1
1 179 . 12 1 1 A 17 17 CYS HA H 17 4.924 4.912 0.012 1
1 182 . 12 1 1 A 17 17 CYS C C 17 169.725 173.577 -3.852 1
1 183 . 12 1 1 A 17 17 CYS CA C 17 55.925 58.438 -2.513 1
1 184 . 12 1 1 A 17 17 CYS CB C 17 31.200 32.241 -1.041 1
1 185 . 12 1 1 A 17 17 CYS N N 17 114.797 118.592 -3.795 1
1 186 . 12 1 1 A 18 18 LEU H H 18 8.449 8.530 -0.081 1
1 187 . 12 1 1 A 18 18 LEU HA H 18 4.336 4.726 -0.390 1
1 197 . 12 1 1 A 18 18 LEU C C 18 172.529 175.913 -3.384 1
1 198 . 12 1 1 A 18 18 LEU CA C 18 55.600 54.669 0.931 1
1 199 . 12 1 1 A 18 18 LEU CB C 18 42.550 41.224 1.326 1
1 203 . 12 1 1 A 18 18 LEU N N 18 122.242 123.632 -1.390 1
1 204 . 12 1 1 A 19 19 TRP H H 19 9.079 9.210 -0.131 1
1 205 . 12 1 1 A 19 19 TRP HA H 19 4.300 5.188 -0.888 1
1 214 . 12 1 1 A 19 19 TRP C C 19 170.195 175.202 -5.007 1
1 215 . 12 1 1 A 19 19 TRP CA C 19 56.750 56.048 0.702 1
1 216 . 12 1 1 A 19 19 TRP CB C 19 33.935 32.692 1.243 1
1 222 . 12 1 1 A 19 19 TRP N N 19 130.082 127.699 2.383 1
1 224 . 12 1 1 A 20 20 ASP H H 20 6.314 8.323 -2.009 1
1 225 . 12 1 1 A 20 20 ASP HA H 20 5.559 5.938 -0.379 1
1 228 . 12 1 1 A 20 20 ASP C C 20 172.285 175.005 -2.720 1
1 229 . 12 1 1 A 20 20 ASP CA C 20 52.900 52.516 0.384 1
1 230 . 12 1 1 A 20 20 ASP CB C 20 43.450 43.306 0.144 1
1 231 . 12 1 1 A 20 20 ASP N N 20 122.801 124.434 -1.633 1
1 232 . 12 1 1 A 21 21 TYR H H 21 9.519 9.647 -0.128 1
1 233 . 12 1 1 A 21 21 TYR HA H 21 4.975 5.183 -0.208 1
1 240 . 12 1 1 A 21 21 TYR C C 21 172.202 174.645 -2.443 1
1 241 . 12 1 1 A 21 21 TYR CA C 21 56.910 56.658 0.252 1
1 242 . 12 1 1 A 21 21 TYR CB C 21 40.850 40.708 0.142 1
1 247 . 12 1 1 A 21 21 TYR N N 21 120.749 120.899 -0.150 1
1 248 . 12 1 1 A 22 22 ARG H H 22 8.758 8.882 -0.124 1
1 249 . 12 1 1 A 22 22 ARG HA H 22 5.189 4.720 0.469 1
1 256 . 12 1 1 A 22 22 ARG C C 22 172.210 175.196 -2.986 1
1 257 . 12 1 1 A 22 22 ARG CA C 22 55.180 56.349 -1.169 1
1 258 . 12 1 1 A 22 22 ARG CB C 22 31.360 30.596 0.764 1
1 261 . 12 1 1 A 22 22 ARG N N 22 124.405 125.741 -1.336 1
1 262 . 12 1 1 A 23 23 VAL H H 23 9.170 9.345 -0.175 1
1 263 . 12 1 1 A 23 23 VAL HA H 23 4.591 4.743 -0.152 1
1 271 . 12 1 1 A 23 23 VAL C C 23 171.354 174.938 -3.584 1
1 272 . 12 1 1 A 23 23 VAL CA C 23 61.836 61.654 0.182 1
1 273 . 12 1 1 A 23 23 VAL CB C 23 35.725 33.076 2.649 1
1 276 . 12 1 1 A 23 23 VAL N N 23 125.900 127.617 -1.717 1
1 277 . 12 1 1 A 24 24 ILE H H 24 8.919 9.339 -0.420 1
1 278 . 12 1 1 A 24 24 ILE HA H 24 5.119 5.279 -0.160 1
1 288 . 12 1 1 A 24 24 ILE C C 24 173.492 175.060 -1.568 1
1 289 . 12 1 1 A 24 24 ILE CA C 24 60.567 60.481 0.086 1
1 290 . 12 1 1 A 24 24 ILE CB C 24 38.346 38.667 -0.321 1
1 294 . 12 1 1 A 24 24 ILE N N 24 127.789 129.023 -1.234 1
1 295 . 12 1 1 A 25 25 MET H H 25 9.857 9.132 0.725 1
1 296 . 12 1 1 A 25 25 MET HA H 25 6.017 5.256 0.761 1
1 304 . 12 1 1 A 25 25 MET C C 25 174.379 177.007 -2.628 1
1 305 . 12 1 1 A 25 25 MET CA C 25 54.898 54.333 0.565 1
1 306 . 12 1 1 A 25 25 MET CB C 25 40.260 35.417 4.843 1
1 309 . 12 1 1 A 25 25 MET N N 25 124.403 126.655 -2.252 1
1 310 . 12 1 1 A 26 26 THR H H 26 8.843 8.904 -0.061 1
1 311 . 12 1 1 A 26 26 THR HA H 26 4.875 4.942 -0.067 1
1 316 . 12 1 1 A 26 26 THR C C 26 170.849 174.063 -3.214 1
1 317 . 12 1 1 A 26 26 THR CA C 26 61.826 61.632 0.194 1
1 318 . 12 1 1 A 26 26 THR CB C 26 68.846 68.459 0.387 1
1 320 . 12 1 1 A 26 26 THR N N 26 108.669 113.012 -4.343 1
1 321 . 12 1 1 A 27 27 THR H H 27 7.342 7.861 -0.519 1
1 322 . 12 1 1 A 27 27 THR HA H 27 4.618 4.794 -0.176 1
1 327 . 12 1 1 A 27 27 THR C C 27 166.898 173.119 -6.221 1
1 328 . 12 1 1 A 27 27 THR CA C 27 58.657 60.493 -1.836 1
1 329 . 12 1 1 A 27 27 THR CB C 27 69.696 70.019 -0.323 1
1 331 . 12 1 1 A 27 27 THR N N 27 114.866 113.931 0.935 1
1 332 . 12 1 1 A 28 28 LYS H H 28 7.638 8.664 -1.026 1
1 333 . 12 1 1 A 28 28 LYS HA H 28 3.991 4.370 -0.379 1
1 342 . 12 1 1 A 28 28 LYS C C 28 173.190 176.639 -3.449 1
1 343 . 12 1 1 A 28 28 LYS CA C 28 55.731 56.454 -0.723 1
1 344 . 12 1 1 A 28 28 LYS CB C 28 32.790 32.289 0.501 1
1 348 . 12 1 1 A 28 28 LYS N N 28 121.283 124.263 -2.980 1
1 349 . 12 1 1 A 29 29 ASP H H 29 8.184 7.824 0.360 1
1 350 . 12 1 1 A 29 29 ASP HA H 29 4.401 4.614 -0.213 1
1 353 . 12 1 1 A 29 29 ASP C C 29 173.830 174.702 -0.872 1
1 354 . 12 1 1 A 29 29 ASP CA C 29 53.979 53.038 0.941 1
1 355 . 12 1 1 A 29 29 ASP CB C 29 40.730 40.032 0.698 1
1 356 . 12 1 1 A 29 29 ASP N N 29 120.231 121.710 -1.479 1
1 357 . 12 1 1 A 30 30 THR H H 30 7.830 8.235 -0.405 1
1 358 . 12 1 1 A 30 30 THR HA H 30 3.742 4.655 -0.913 1
1 363 . 12 1 1 A 30 30 THR C C 30 172.987 173.856 -0.869 1
1 364 . 12 1 1 A 30 30 THR CA C 30 61.299 60.248 1.051 1
1 365 . 12 1 1 A 30 30 THR CB C 30 69.294 67.938 1.356 1
1 367 . 12 1 1 A 30 30 THR N N 30 115.459 120.710 -5.251 1
1 368 . 12 1 1 A 31 31 SER H H 31 8.561 8.254 0.307 1
1 369 . 12 1 1 A 31 31 SER HA H 31 3.875 4.526 -0.651 1
1 372 . 12 1 1 A 31 31 SER CA C 31 63.520 58.416 5.104 1
1 373 . 12 1 1 A 31 31 SER CB C 31 62.332 64.055 -1.723 1
1 374 . 12 1 1 A 31 31 SER N N 31 119.763 122.808 -3.045 1
1 375 . 12 1 1 A 32 32 THR HA H 32 3.961 3.956 0.005 1
1 380 . 12 1 1 A 32 32 THR C C 32 173.850 176.406 -2.556 1
1 381 . 12 1 1 A 32 32 THR CA C 32 65.447 66.658 -1.211 1
1 382 . 12 1 1 A 32 32 THR CB C 32 68.715 68.737 -0.022 1
1 384 . 12 1 1 A 33 33 LEU H H 33 7.209 8.048 -0.839 1
1 385 . 12 1 1 A 33 33 LEU HA H 33 3.950 3.880 0.070 1
1 395 . 12 1 1 A 33 33 LEU C C 33 174.505 178.440 -3.935 1
1 396 . 12 1 1 A 33 33 LEU CA C 33 57.653 58.658 -1.005 1
1 397 . 12 1 1 A 33 33 LEU CB C 33 42.210 41.595 0.615 1
1 401 . 12 1 1 A 33 33 LEU N N 33 125.158 121.907 3.251 1
1 402 . 12 1 1 A 34 34 LYS H H 34 8.671 7.741 0.930 1
1 403 . 12 1 1 A 34 34 LYS HA H 34 3.552 3.628 -0.076 1
1 412 . 12 1 1 A 34 34 LYS C C 34 174.794 179.858 -5.064 1
1 413 . 12 1 1 A 34 34 LYS CA C 34 61.226 59.995 1.231 1
1 414 . 12 1 1 A 34 34 LYS CB C 34 32.880 32.007 0.873 1
1 418 . 12 1 1 A 34 34 LYS N N 34 119.112 118.332 0.780 1
1 419 . 12 1 1 A 35 35 GLU H H 35 7.813 8.044 -0.231 1
1 420 . 12 1 1 A 35 35 GLU HA H 35 3.863 3.973 -0.110 1
1 425 . 12 1 1 A 35 35 GLU C C 35 176.222 179.061 -2.839 1
1 426 . 12 1 1 A 35 35 GLU CA C 35 59.721 59.013 0.708 1
1 427 . 12 1 1 A 35 35 GLU CB C 35 29.898 29.244 0.654 1
1 429 . 12 1 1 A 35 35 GLU N N 35 116.554 120.466 -3.912 1
1 430 . 12 1 1 A 36 36 LEU H H 36 7.153 7.915 -0.762 1
1 431 . 12 1 1 A 36 36 LEU HA H 36 4.175 3.928 0.247 1
1 441 . 12 1 1 A 36 36 LEU C C 36 177.281 179.158 -1.877 1
1 442 . 12 1 1 A 36 36 LEU CA C 36 58.018 57.982 0.036 1
1 443 . 12 1 1 A 36 36 LEU CB C 36 41.720 41.127 0.593 1
1 447 . 12 1 1 A 36 36 LEU N N 36 119.071 118.806 0.265 1
1 448 . 12 1 1 A 37 37 LEU H H 37 8.245 7.686 0.559 1
1 449 . 12 1 1 A 37 37 LEU HA H 37 3.749 3.985 -0.236 1
1 459 . 12 1 1 A 37 37 LEU C C 37 177.903 179.338 -1.435 1
1 460 . 12 1 1 A 37 37 LEU CA C 37 58.278 57.762 0.516 1
1 461 . 12 1 1 A 37 37 LEU CB C 37 39.600 40.697 -1.097 1
1 465 . 12 1 1 A 37 37 LEU N N 37 121.326 118.923 2.403 1
1 466 . 12 1 1 A 38 38 GLU H H 38 8.641 8.022 0.619 1
1 467 . 12 1 1 A 38 38 GLU HA H 38 4.320 4.141 0.179 1
1 472 . 12 1 1 A 38 38 GLU C C 38 177.074 179.339 -2.265 1
1 473 . 12 1 1 A 38 38 GLU CA C 38 59.619 59.405 0.214 1
1 474 . 12 1 1 A 38 38 GLU CB C 38 29.850 29.173 0.677 1
1 476 . 12 1 1 A 38 38 GLU N N 38 119.504 118.859 0.645 1
1 477 . 12 1 1 A 39 39 THR H H 39 7.653 7.488 0.165 1
1 478 . 12 1 1 A 39 39 THR HA H 39 4.097 4.100 -0.003 1
1 483 . 12 1 1 A 39 39 THR C C 39 173.229 175.170 -1.941 1
1 484 . 12 1 1 A 39 39 THR CA C 39 65.080 64.797 0.283 1
1 485 . 12 1 1 A 39 39 THR CB C 39 69.952 68.443 1.509 1
1 487 . 12 1 1 A 39 39 THR N N 39 110.838 113.346 -2.508 1
1 488 . 12 1 1 A 40 40 TYR H H 40 7.478 7.472 0.006 1
1 489 . 12 1 1 A 40 40 TYR HA H 40 4.073 4.682 -0.609 1
1 496 . 12 1 1 A 40 40 TYR C C 40 172.486 175.052 -2.566 1
1 497 . 12 1 1 A 40 40 TYR CA C 40 61.549 56.969 4.580 1
1 498 . 12 1 1 A 40 40 TYR CB C 40 37.140 38.199 -1.059 1
1 503 . 12 1 1 A 40 40 TYR N N 40 118.654 120.369 -1.715 1
1 504 . 12 1 1 A 41 41 GLN H H 41 7.901 8.061 -0.160 1
1 505 . 12 1 1 A 41 41 GLN HA H 41 3.963 3.980 -0.017 1
1 512 . 12 1 1 A 41 41 GLN C C 41 171.223 174.215 -2.992 1
1 513 . 12 1 1 A 41 41 GLN CA C 41 57.158 57.291 -0.133 1
1 514 . 12 1 1 A 41 41 GLN CB C 41 27.330 26.505 0.825 1
1 516 . 12 1 1 A 41 41 GLN N N 41 116.315 115.901 0.414 1
1 518 . 12 1 1 A 42 42 ARG H H 42 8.493 7.839 0.654 1
1 519 . 12 1 1 A 42 42 ARG HA H 42 5.052 4.962 0.090 1
1 527 . 12 1 1 A 42 42 ARG CA C 42 54.040 54.049 -0.009 1
1 528 . 12 1 1 A 42 42 ARG CB C 42 30.650 32.210 -1.560 1
1 531 . 12 1 1 A 42 42 ARG N N 42 115.494 115.886 -0.392 1
1 533 . 12 1 1 A 43 43 PRO HA H 43 4.390 4.990 -0.600 1
1 540 . 12 1 1 A 43 43 PRO C C 43 172.836 176.794 -3.958 1
1 541 . 12 1 1 A 43 43 PRO CA C 43 63.574 62.514 1.060 1
1 542 . 12 1 1 A 43 43 PRO CB C 43 32.500 33.149 -0.649 1
1 545 . 12 1 1 A 44 44 PHE H H 44 7.742 8.843 -1.101 1
1 546 . 12 1 1 A 44 44 PHE HA H 44 5.281 5.544 -0.263 1
1 554 . 12 1 1 A 44 44 PHE C C 44 170.840 172.529 -1.689 1
1 555 . 12 1 1 A 44 44 PHE CA C 44 56.174 55.833 0.341 1
1 556 . 12 1 1 A 44 44 PHE CB C 44 42.280 42.528 -0.248 1
1 562 . 12 1 1 A 44 44 PHE N N 44 115.046 117.907 -2.861 1
1 563 . 12 1 1 A 45 45 LYS H H 45 8.944 8.612 0.332 1
1 564 . 12 1 1 A 45 45 LYS HA H 45 4.641 4.992 -0.351 1
1 573 . 12 1 1 A 45 45 LYS C C 45 171.934 174.163 -2.229 1
1 574 . 12 1 1 A 45 45 LYS CA C 45 55.210 54.858 0.352 1
1 575 . 12 1 1 A 45 45 LYS CB C 45 35.600 36.063 -0.463 1
1 579 . 12 1 1 A 45 45 LYS N N 45 121.090 121.192 -0.102 1
1 580 . 12 1 1 A 46 46 LEU H H 46 8.897 9.043 -0.146 1
1 581 . 12 1 1 A 46 46 LEU HA H 46 5.332 5.239 0.093 1
1 590 . 12 1 1 A 46 46 LEU C C 46 172.666 175.152 -2.486 1
1 591 . 12 1 1 A 46 46 LEU CA C 46 54.510 53.690 0.820 1
1 592 . 12 1 1 A 46 46 LEU CB C 46 44.620 44.711 -0.091 1
1 595 . 12 1 1 A 46 46 LEU N N 46 128.615 129.096 -0.481 1
1 596 . 12 1 1 A 47 47 GLU H H 47 9.220 9.301 -0.081 1
1 597 . 12 1 1 A 47 47 GLU HA H 47 4.911 5.001 -0.090 1
1 602 . 12 1 1 A 47 47 GLU C C 47 172.392 174.902 -2.510 1
1 603 . 12 1 1 A 47 47 GLU CA C 47 54.980 54.793 0.187 1
1 604 . 12 1 1 A 47 47 GLU CB C 47 34.490 32.791 1.699 1
1 606 . 12 1 1 A 47 47 GLU N N 47 125.300 126.328 -1.028 1
1 607 . 12 1 1 A 48 48 PHE H H 48 9.157 9.244 -0.087 1
1 608 . 12 1 1 A 48 48 PHE HA H 48 4.302 4.894 -0.592 1
1 616 . 12 1 1 A 48 48 PHE C C 48 171.971 174.212 -2.241 1
1 617 . 12 1 1 A 48 48 PHE CA C 48 58.240 57.202 1.038 1
1 618 . 12 1 1 A 48 48 PHE CB C 48 39.410 39.174 0.236 1
1 624 . 12 1 1 A 48 48 PHE N N 48 126.911 126.421 0.490 1
1 625 . 12 1 1 A 49 49 LYS H H 49 8.256 8.695 -0.439 1
1 626 . 12 1 1 A 49 49 LYS HA H 49 4.176 4.244 -0.068 1
1 635 . 12 1 1 A 49 49 LYS C C 49 172.030 176.154 -4.124 1
1 636 . 12 1 1 A 49 49 LYS CA C 49 55.244 57.734 -2.490 1
1 637 . 12 1 1 A 49 49 LYS CB C 49 32.640 32.682 -0.042 1
1 641 . 12 1 1 A 49 49 LYS N N 49 127.526 127.555 -0.029 1
1 642 . 12 1 1 A 50 50 ASN H H 50 7.062 6.891 0.171 1
1 643 . 12 1 1 A 50 50 ASN HA H 50 4.353 4.797 -0.444 1
1 648 . 12 1 1 A 50 50 ASN C C 50 171.278 172.360 -1.082 1
1 649 . 12 1 1 A 50 50 ASN CA C 50 53.807 52.141 1.666 1
1 650 . 12 1 1 A 50 50 ASN CB C 50 40.460 41.615 -1.155 1
1 651 . 12 1 1 A 50 50 ASN N N 50 115.764 113.023 2.741 1
1 653 . 12 1 1 A 51 51 THR H H 51 8.217 8.663 -0.446 1
1 654 . 12 1 1 A 51 51 THR HA H 51 4.685 5.150 -0.465 1
1 659 . 12 1 1 A 51 51 THR C C 51 171.816 172.072 -0.256 1
1 660 . 12 1 1 A 51 51 THR CA C 51 61.243 59.813 1.430 1
1 661 . 12 1 1 A 51 51 THR CB C 51 70.632 72.161 -1.529 1
1 663 . 12 1 1 A 51 51 THR N N 51 114.341 115.760 -1.419 1
1 664 . 12 1 1 A 52 52 SER H H 52 8.314 8.725 -0.411 1
1 665 . 12 1 1 A 52 52 SER HA H 52 4.395 4.528 -0.133 1
1 668 . 12 1 1 A 52 52 SER CA C 52 58.470 58.744 -0.274 1
1 669 . 12 1 1 A 52 52 SER CB C 52 64.580 63.736 0.844 1
1 670 . 12 1 1 A 52 52 SER N N 52 118.503 121.194 -2.691 1
1 671 . 12 1 1 A 54 54 ASN HA H 54 4.484 4.786 -0.302 1
1 676 . 12 1 1 A 54 54 ASN C C 54 171.753 174.623 -2.870 1
1 677 . 12 1 1 A 54 54 ASN CA C 54 53.296 53.044 0.252 1
1 678 . 12 1 1 A 54 54 ASN CB C 54 38.080 38.784 -0.704 1
1 680 . 12 1 1 A 55 55 ALA H H 55 7.927 7.903 0.024 1
1 681 . 12 1 1 A 55 55 ALA HA H 55 3.759 4.005 -0.246 1
1 685 . 12 1 1 A 55 55 ALA C C 55 173.386 176.975 -3.589 1
1 686 . 12 1 1 A 55 55 ALA CA C 55 53.266 53.280 -0.014 1
1 687 . 12 1 1 A 55 55 ALA CB C 55 18.180 17.980 0.200 1
1 688 . 12 1 1 A 55 55 ALA N N 55 120.429 120.270 0.159 1
1 689 . 12 1 1 A 56 56 LYS H H 56 7.426 7.517 -0.091 1
1 690 . 12 1 1 A 56 56 LYS HA H 56 3.919 3.953 -0.034 1
1 702 . 12 1 1 A 56 56 LYS C C 56 172.612 175.694 -3.082 1
1 703 . 12 1 1 A 56 56 LYS CA C 56 57.113 57.501 -0.388 1
1 704 . 12 1 1 A 56 56 LYS CB C 56 33.566 33.087 0.479 1
1 708 . 12 1 1 A 56 56 LYS N N 56 116.392 117.373 -0.981 1
1 710 . 12 1 1 A 57 57 PHE H H 57 7.253 7.677 -0.424 1
1 711 . 12 1 1 A 57 57 PHE HA H 57 5.062 5.096 -0.034 1
1 719 . 12 1 1 A 57 57 PHE C C 57 171.527 173.644 -2.117 1
1 720 . 12 1 1 A 57 57 PHE CA C 57 54.920 56.178 -1.258 1
1 721 . 12 1 1 A 57 57 PHE CB C 57 41.910 40.726 1.184 1
1 727 . 12 1 1 A 57 57 PHE N N 57 113.835 116.552 -2.717 1
1 728 . 12 1 1 A 58 58 TYR H H 58 9.172 9.426 -0.254 1
1 729 . 12 1 1 A 58 58 TYR HA H 58 4.746 5.048 -0.302 1
1 736 . 12 1 1 A 58 58 TYR C C 58 171.294 175.113 -3.819 1
1 737 . 12 1 1 A 58 58 TYR CA C 58 57.770 56.626 1.144 1
1 738 . 12 1 1 A 58 58 TYR CB C 58 41.784 40.565 1.219 1
1 743 . 12 1 1 A 58 58 TYR N N 58 121.139 123.520 -2.381 1
1 744 . 12 1 1 A 59 59 SER H H 59 8.786 8.828 -0.042 1
1 745 . 12 1 1 A 59 59 SER HA H 59 5.399 4.765 0.634 1
1 748 . 12 1 1 A 59 59 SER C C 59 170.105 173.476 -3.371 1
1 749 . 12 1 1 A 59 59 SER CA C 59 57.650 58.142 -0.492 1
1 750 . 12 1 1 A 59 59 SER CB C 59 65.220 63.639 1.581 1
1 751 . 12 1 1 A 59 59 SER N N 59 118.511 120.218 -1.707 1
1 752 . 12 1 1 A 60 60 PHE H H 60 9.389 9.422 -0.033 1
1 753 . 12 1 1 A 60 60 PHE HA H 60 5.210 5.336 -0.126 1
1 761 . 12 1 1 A 60 60 PHE C C 60 172.188 174.398 -2.210 1
1 762 . 12 1 1 A 60 60 PHE CA C 60 56.824 56.376 0.448 1
1 763 . 12 1 1 A 60 60 PHE CB C 60 43.645 41.843 1.802 1
1 769 . 12 1 1 A 60 60 PHE N N 60 121.864 126.543 -4.679 1
1 770 . 12 1 1 A 61 61 ASN H H 61 9.448 9.391 0.057 1
1 771 . 12 1 1 A 61 61 ASN HA H 61 5.564 5.617 -0.053 1
1 776 . 12 1 1 A 61 61 ASN C C 61 171.756 173.968 -2.212 1
1 777 . 12 1 1 A 61 61 ASN CA C 61 53.012 51.888 1.124 1
1 778 . 12 1 1 A 61 61 ASN CB C 61 42.580 41.635 0.945 1
1 779 . 12 1 1 A 61 61 ASN N N 61 121.107 119.910 1.197 1
1 781 . 12 1 1 A 62 62 VAL H H 62 9.361 9.381 -0.020 1
1 782 . 12 1 1 A 62 62 VAL HA H 62 5.159 5.462 -0.303 1
1 790 . 12 1 1 A 62 62 VAL C C 62 171.964 175.098 -3.134 1
1 791 . 12 1 1 A 62 62 VAL CA C 62 60.991 61.322 -0.331 1
1 792 . 12 1 1 A 62 62 VAL CB C 62 35.350 33.333 2.017 1
1 795 . 12 1 1 A 62 62 VAL N N 62 126.781 126.760 0.021 1
1 796 . 12 1 1 A 63 63 SER H H 63 8.750 9.146 -0.396 1
1 797 . 12 1 1 A 63 63 SER HA H 63 5.955 5.686 0.269 1
1 800 . 12 1 1 A 63 63 SER C C 63 171.905 173.554 -1.649 1
1 801 . 12 1 1 A 63 63 SER CA C 63 56.587 57.594 -1.007 1
1 802 . 12 1 1 A 63 63 SER CB C 63 65.231 64.280 0.951 1
1 803 . 12 1 1 A 63 63 SER N N 63 120.886 126.013 -5.127 1
1 804 . 12 1 1 A 64 64 MET H H 64 8.918 9.053 -0.135 1
1 805 . 12 1 1 A 64 64 MET HA H 64 4.622 5.327 -0.705 1
1 813 . 12 1 1 A 64 64 MET C C 64 170.352 175.125 -4.773 1
1 814 . 12 1 1 A 64 64 MET CA C 64 55.950 53.782 2.168 1
1 815 . 12 1 1 A 64 64 MET CB C 64 38.000 36.038 1.962 1
1 818 . 12 1 1 A 64 64 MET N N 64 123.839 122.467 1.372 1
1 819 . 12 1 1 A 65 65 GLU H H 65 9.213 8.536 0.677 1
1 820 . 12 1 1 A 65 65 GLU HA H 65 4.740 4.686 0.054 1
1 825 . 12 1 1 A 65 65 GLU C C 65 172.659 176.605 -3.946 1
1 826 . 12 1 1 A 65 65 GLU CA C 65 57.547 57.151 0.396 1
1 827 . 12 1 1 A 65 65 GLU CB C 65 31.100 30.481 0.619 1
1 829 . 12 1 1 A 65 65 GLU N N 65 125.938 119.935 6.003 1
1 830 . 12 1 1 A 66 66 VAL H H 66 9.031 8.726 0.305 1
1 831 . 12 1 1 A 66 66 VAL HA H 66 4.632 4.758 -0.126 1
1 839 . 12 1 1 A 66 66 VAL C C 66 174.252 175.967 -1.715 1
1 840 . 12 1 1 A 66 66 VAL CA C 66 59.454 59.898 -0.444 1
1 841 . 12 1 1 A 66 66 VAL CB C 66 35.450 35.043 0.407 1
1 844 . 12 1 1 A 66 66 VAL N N 66 117.398 117.649 -0.251 1
1 845 . 12 1 1 A 67 67 SER H H 67 9.309 9.029 0.280 1
1 846 . 12 1 1 A 67 67 SER HA H 67 4.185 4.595 -0.410 1
1 849 . 12 1 1 A 67 67 SER C C 67 170.646 174.375 -3.729 1
1 850 . 12 1 1 A 67 67 SER CA C 67 61.719 59.908 1.811 1
1 851 . 12 1 1 A 67 67 SER CB C 67 64.540 64.459 0.081 1
1 852 . 12 1 1 A 67 67 SER N N 67 116.754 117.877 -1.123 1
1 853 . 12 1 1 A 68 68 ASN H H 68 7.279 7.679 -0.400 1
1 854 . 12 1 1 A 68 68 ASN HA H 68 3.345 4.693 -1.348 1
1 859 . 12 1 1 A 68 68 ASN C C 68 170.781 175.262 -4.481 1
1 860 . 12 1 1 A 68 68 ASN CA C 68 51.758 51.167 0.591 1
1 861 . 12 1 1 A 68 68 ASN CB C 68 38.809 40.955 -2.146 1
1 862 . 12 1 1 A 68 68 ASN N N 68 110.062 114.183 -4.121 1
1 864 . 12 1 1 A 69 69 GLU H H 69 8.126 8.493 -0.367 1
1 865 . 12 1 1 A 69 69 GLU HA H 69 3.337 3.658 -0.321 1
1 870 . 12 1 1 A 69 69 GLU C C 69 174.537 177.465 -2.928 1
1 871 . 12 1 1 A 69 69 GLU CA C 69 59.749 58.714 1.035 1
1 872 . 12 1 1 A 69 69 GLU CB C 69 30.250 28.921 1.329 1
1 874 . 12 1 1 A 69 69 GLU N N 69 120.604 120.399 0.205 1
1 875 . 12 1 1 A 70 70 SER H H 70 7.981 7.450 0.531 1
1 876 . 12 1 1 A 70 70 SER HA H 70 4.030 4.116 -0.086 1
1 879 . 12 1 1 A 70 70 SER C C 70 174.715 177.386 -2.671 1
1 880 . 12 1 1 A 70 70 SER CA C 70 62.097 61.475 0.622 1
1 881 . 12 1 1 A 70 70 SER CB C 70 62.350 62.848 -0.498 1
1 882 . 12 1 1 A 70 70 SER N N 70 114.770 114.963 -0.193 1
1 883 . 12 1 1 A 71 71 GLU H H 71 8.572 7.895 0.677 1
1 884 . 12 1 1 A 71 71 GLU HA H 71 3.927 4.086 -0.159 1
1 889 . 12 1 1 A 71 71 GLU C C 71 174.769 179.857 -5.088 1
1 890 . 12 1 1 A 71 71 GLU CA C 71 59.849 59.526 0.323 1
1 891 . 12 1 1 A 71 71 GLU CB C 71 30.950 29.251 1.699 1
1 893 . 12 1 1 A 71 71 GLU N N 71 124.163 121.858 2.305 1
1 894 . 12 1 1 A 72 72 ARG H H 72 7.797 7.967 -0.170 1
1 895 . 12 1 1 A 72 72 ARG HA H 72 3.776 4.696 -0.920 1
1 900 . 12 1 1 A 72 72 ARG C C 72 177.552 178.163 -0.611 1
1 901 . 12 1 1 A 72 72 ARG CA C 72 58.680 58.478 0.202 1
1 902 . 12 1 1 A 72 72 ARG CB C 72 30.110 29.703 0.407 1
1 905 . 12 1 1 A 72 72 ARG N N 72 118.396 120.578 -2.182 1
1 906 . 12 1 1 A 73 73 ASN H H 73 8.175 7.971 0.204 1
1 907 . 12 1 1 A 73 73 ASN HA H 73 4.461 4.656 -0.195 1
1 912 . 12 1 1 A 73 73 ASN C C 73 174.089 177.814 -3.725 1
1 913 . 12 1 1 A 73 73 ASN CA C 73 55.500 55.249 0.251 1
1 914 . 12 1 1 A 73 73 ASN CB C 73 37.844 38.910 -1.066 1
1 915 . 12 1 1 A 73 73 ASN N N 73 118.156 116.832 1.324 1
1 917 . 12 1 1 A 74 74 GLU H H 74 8.473 8.360 0.113 1
1 918 . 12 1 1 A 74 74 GLU HA H 74 3.954 4.076 -0.122 1
1 923 . 12 1 1 A 74 74 GLU C C 74 175.719 179.042 -3.323 1
1 924 . 12 1 1 A 74 74 GLU CA C 74 60.093 59.149 0.944 1
1 925 . 12 1 1 A 74 74 GLU CB C 74 30.460 29.424 1.036 1
1 927 . 12 1 1 A 74 74 GLU N N 74 124.825 120.079 4.746 1
1 928 . 12 1 1 A 75 75 ILE H H 75 8.273 8.308 -0.035 1
1 929 . 12 1 1 A 75 75 ILE HA H 75 3.229 3.668 -0.439 1
1 939 . 12 1 1 A 75 75 ILE C C 75 174.591 177.977 -3.386 1
1 940 . 12 1 1 A 75 75 ILE CA C 75 66.460 65.446 1.014 1
1 941 . 12 1 1 A 75 75 ILE CB C 75 38.262 37.607 0.655 1
1 945 . 12 1 1 A 75 75 ILE N N 75 120.282 120.030 0.252 1
1 946 . 12 1 1 A 76 76 PHE H H 76 7.233 8.438 -1.205 1
1 947 . 12 1 1 A 76 76 PHE HA H 76 3.600 4.003 -0.403 1
1 955 . 12 1 1 A 76 76 PHE C C 76 175.036 177.958 -2.922 1
1 956 . 12 1 1 A 76 76 PHE CA C 76 62.227 61.870 0.357 1
1 957 . 12 1 1 A 76 76 PHE CB C 76 40.170 39.443 0.727 1
1 963 . 12 1 1 A 76 76 PHE N N 76 117.265 120.426 -3.161 1
1 964 . 12 1 1 A 77 77 GLN H H 77 8.262 8.216 0.046 1
1 965 . 12 1 1 A 77 77 GLN HA H 77 3.753 3.722 0.031 1
1 972 . 12 1 1 A 77 77 GLN C C 77 176.132 178.810 -2.678 1
1 973 . 12 1 1 A 77 77 GLN CA C 77 59.113 59.443 -0.330 1
1 974 . 12 1 1 A 77 77 GLN CB C 77 28.487 28.626 -0.139 1
1 976 . 12 1 1 A 77 77 GLN N N 77 118.919 118.181 0.738 1
1 978 . 12 1 1 A 78 78 LYS H H 78 8.508 7.918 0.590 1
1 979 . 12 1 1 A 78 78 LYS HA H 78 3.804 4.116 -0.312 1
1 988 . 12 1 1 A 78 78 LYS C C 78 177.438 179.174 -1.736 1
1 989 . 12 1 1 A 78 78 LYS CA C 78 60.107 59.168 0.939 1
1 990 . 12 1 1 A 78 78 LYS CB C 78 33.160 32.737 0.423 1
1 994 . 12 1 1 A 78 78 LYS N N 78 119.345 119.278 0.067 1
1 995 . 12 1 1 A 79 79 ILE H H 79 8.395 8.098 0.297 1
1 996 . 12 1 1 A 79 79 ILE HA H 79 3.182 3.728 -0.546 1
1 1006 . 12 1 1 A 79 79 ILE C C 79 174.721 177.412 -2.691 1
1 1007 . 12 1 1 A 79 79 ILE CA C 79 66.280 64.837 1.443 1
1 1008 . 12 1 1 A 79 79 ILE CB C 79 38.360 37.281 1.079 1
1 1012 . 12 1 1 A 79 79 ILE N N 79 120.117 120.621 -0.504 1
1 1013 . 12 1 1 A 80 80 SER H H 80 7.459 7.725 -0.266 1
1 1014 . 12 1 1 A 80 80 SER HA H 80 3.868 4.097 -0.229 1
1 1017 . 12 1 1 A 80 80 SER C C 80 171.998 176.270 -4.272 1
1 1018 . 12 1 1 A 80 80 SER CA C 80 61.444 60.851 0.593 1
1 1019 . 12 1 1 A 80 80 SER CB C 80 63.500 62.812 0.688 1
1 1020 . 12 1 1 A 80 80 SER N N 80 110.857 116.980 -6.123 1
1 1021 . 12 1 1 A 81 81 GLN H H 81 7.095 7.359 -0.264 1
1 1022 . 12 1 1 A 81 81 GLN HA H 81 4.143 4.204 -0.061 1
1 1029 . 12 1 1 A 81 81 GLN C C 81 173.743 177.954 -4.211 1
1 1030 . 12 1 1 A 81 81 GLN CA C 81 55.894 57.941 -2.047 1
1 1031 . 12 1 1 A 81 81 GLN CB C 81 29.390 28.596 0.794 1
1 1033 . 12 1 1 A 81 81 GLN N N 81 117.056 120.413 -3.357 1
1 1035 . 12 1 1 A 82 82 LEU H H 82 7.495 7.600 -0.105 1
1 1036 . 12 1 1 A 82 82 LEU HA H 82 4.064 4.102 -0.038 1
1 1046 . 12 1 1 A 82 82 LEU C C 82 175.685 176.509 -0.824 1
1 1047 . 12 1 1 A 82 82 LEU CA C 82 55.730 56.635 -0.905 1
1 1048 . 12 1 1 A 82 82 LEU CB C 82 41.740 42.468 -0.728 1
1 1052 . 12 1 1 A 82 82 LEU N N 82 123.191 118.951 4.240 1
1 1053 . 12 1 1 A 83 83 ASP H H 83 8.330 7.764 0.566 1
1 1054 . 12 1 1 A 83 83 ASP HA H 83 4.260 4.558 -0.298 1
1 1057 . 12 1 1 A 83 83 ASP C C 83 174.543 177.302 -2.759 1
1 1058 . 12 1 1 A 83 83 ASP CA C 83 57.056 55.867 1.189 1
1 1059 . 12 1 1 A 83 83 ASP CB C 83 41.590 40.648 0.942 1
1 1060 . 12 1 1 A 83 83 ASP N N 83 122.600 119.335 3.265 1
1 1061 . 12 1 1 A 84 84 LYS H H 84 8.152 8.262 -0.110 1
1 1062 . 12 1 1 A 84 84 LYS HA H 84 4.060 4.254 -0.194 1
1 1071 . 12 1 1 A 84 84 LYS C C 84 172.461 177.022 -4.561 1
1 1072 . 12 1 1 A 84 84 LYS CA C 84 57.301 58.334 -1.033 1
1 1073 . 12 1 1 A 84 84 LYS CB C 84 31.140 32.484 -1.344 1
1 1077 . 12 1 1 A 84 84 LYS N N 84 113.797 117.468 -3.671 1
1 1078 . 12 1 1 A 85 85 VAL H H 85 7.290 7.522 -0.232 1
1 1079 . 12 1 1 A 85 85 VAL HA H 85 4.230 4.322 -0.092 1
1 1087 . 12 1 1 A 85 85 VAL C C 85 173.934 175.767 -1.833 1
1 1088 . 12 1 1 A 85 85 VAL CA C 85 63.300 62.126 1.174 1
1 1089 . 12 1 1 A 85 85 VAL CB C 85 32.320 32.958 -0.638 1
1 1092 . 12 1 1 A 85 85 VAL N N 85 118.733 118.756 -0.023 1
1 1093 . 12 1 1 A 86 86 VAL H H 86 9.093 9.142 -0.049 1
1 1094 . 12 1 1 A 86 86 VAL HA H 86 4.165 4.505 -0.340 1
1 1102 . 12 1 1 A 86 86 VAL C C 86 173.235 175.739 -2.504 1
1 1103 . 12 1 1 A 86 86 VAL CA C 86 62.144 62.083 0.061 1
1 1104 . 12 1 1 A 86 86 VAL CB C 86 33.397 33.559 -0.162 1
1 1107 . 12 1 1 A 86 86 VAL N N 86 125.341 123.803 1.538 1
1 1108 . 12 1 1 A 87 87 GLN H H 87 7.727 7.406 0.321 1
1 1109 . 12 1 1 A 87 87 GLN HA H 87 4.437 5.005 -0.568 1
1 1114 . 12 1 1 A 87 87 GLN C C 87 170.954 174.230 -3.276 1
1 1115 . 12 1 1 A 87 87 GLN CA C 87 56.370 55.134 1.236 1
1 1116 . 12 1 1 A 87 87 GLN CB C 87 32.420 31.939 0.481 1
1 1118 . 12 1 1 A 87 87 GLN N N 87 119.469 120.759 -1.290 1
1 1119 . 12 1 1 A 88 88 THR H H 88 8.087 8.932 -0.845 1
1 1120 . 12 1 1 A 88 88 THR HA H 88 4.857 5.468 -0.611 1
1 1125 . 12 1 1 A 88 88 THR CA C 88 61.850 60.756 1.094 1
1 1126 . 12 1 1 A 88 88 THR CB C 88 69.900 70.561 -0.661 1
1 1128 . 12 1 1 A 88 88 THR N N 88 119.679 117.932 1.747 1
1 1129 . 12 1 1 A 89 89 LEU HA H 89 4.851 5.331 -0.480 1
1 1139 . 12 1 1 A 89 89 LEU C C 89 174.211 176.465 -2.254 1
1 1140 . 12 1 1 A 89 89 LEU CA C 89 54.590 53.254 1.336 1
1 1141 . 12 1 1 A 89 89 LEU CB C 89 44.176 43.589 0.587 1
1 1145 . 12 1 1 A 90 90 GLY H H 90 8.697 8.796 -0.099 1
1 1146 . 12 1 1 A 90 90 GLY HA2 H 90 4.181 4.164 0.017 1
1 1147 . 12 1 1 A 90 90 GLY HA3 H 90 4.267 4.353 -0.086 1
1 1148 . 12 1 1 A 90 90 GLY C C 90 170.516 173.737 -3.221 1
1 1149 . 12 1 1 A 90 90 GLY CA C 90 45.810 45.564 0.246 1
1 1150 . 12 1 1 A 90 90 GLY N N 90 109.859 114.090 -4.231 1
1 1 . 13 1 1 A 2 2 GLY HA2 H 2 3.721 4.323 -0.602 1
1 2 . 13 1 1 A 2 2 GLY HA3 H 2 3.721 4.339 -0.618 1
1 3 . 13 1 1 A 2 2 GLY CA C 2 43.440 45.104 -1.664 1
1 4 . 13 1 1 A 3 3 HIS HA H 3 4.602 5.240 -0.638 1
1 9 . 13 1 1 A 3 3 HIS C C 3 172.383 173.355 -0.972 1
1 10 . 13 1 1 A 3 3 HIS CA C 3 56.270 53.957 2.313 1
1 11 . 13 1 1 A 3 3 HIS CB C 3 30.850 31.118 -0.268 1
1 14 . 13 1 1 A 4 4 MET H H 4 8.397 8.578 -0.181 1
1 15 . 13 1 1 A 4 4 MET HA H 4 4.720 4.848 -0.128 1
1 23 . 13 1 1 A 4 4 MET CA C 4 53.410 53.237 0.173 1
1 24 . 13 1 1 A 4 4 MET CB C 4 32.550 33.852 -1.302 1
1 27 . 13 1 1 A 4 4 MET N N 4 123.715 126.889 -3.174 1
1 28 . 13 1 1 A 5 5 PRO HA H 5 4.340 4.353 -0.013 1
1 35 . 13 1 1 A 5 5 PRO C C 5 174.369 176.793 -2.424 1
1 36 . 13 1 1 A 5 5 PRO CA C 5 63.686 63.043 0.643 1
1 37 . 13 1 1 A 5 5 PRO CB C 5 32.430 31.614 0.816 1
1 40 . 13 1 1 A 6 6 SER H H 6 8.337 8.462 -0.125 1
1 41 . 13 1 1 A 6 6 SER HA H 6 4.299 4.428 -0.129 1
1 44 . 13 1 1 A 6 6 SER C C 6 171.770 175.569 -3.799 1
1 45 . 13 1 1 A 6 6 SER CA C 6 58.800 58.009 0.791 1
1 46 . 13 1 1 A 6 6 SER CB C 6 63.896 63.468 0.428 1
1 47 . 13 1 1 A 6 6 SER N N 6 115.479 119.476 -3.997 1
1 48 . 13 1 1 A 7 7 ASP H H 7 8.269 8.068 0.201 1
1 49 . 13 1 1 A 7 7 ASP HA H 7 4.545 4.389 0.156 1
1 52 . 13 1 1 A 7 7 ASP C C 7 173.646 177.092 -3.446 1
1 53 . 13 1 1 A 7 7 ASP CA C 7 54.571 57.132 -2.561 1
1 54 . 13 1 1 A 7 7 ASP CB C 7 41.353 40.833 0.520 1
1 55 . 13 1 1 A 7 7 ASP N N 7 122.367 123.378 -1.011 1
1 56 . 13 1 1 A 8 8 SER H H 8 8.126 7.729 0.397 1
1 57 . 13 1 1 A 8 8 SER HA H 8 4.337 4.709 -0.372 1
1 60 . 13 1 1 A 8 8 SER C C 8 171.792 173.613 -1.821 1
1 61 . 13 1 1 A 8 8 SER CA C 8 58.950 57.491 1.459 1
1 62 . 13 1 1 A 8 8 SER CB C 8 64.140 63.507 0.633 1
1 63 . 13 1 1 A 8 8 SER N N 8 116.038 109.901 6.137 1
1 64 . 13 1 1 A 9 9 LYS H H 9 8.400 7.335 1.065 1
1 65 . 13 1 1 A 9 9 LYS HA H 9 4.225 4.148 0.077 1
1 74 . 13 1 1 A 9 9 LYS C C 9 173.626 176.112 -2.486 1
1 75 . 13 1 1 A 9 9 LYS CA C 9 56.391 56.977 -0.586 1
1 76 . 13 1 1 A 9 9 LYS CB C 9 32.970 32.921 0.049 1
1 80 . 13 1 1 A 9 9 LYS N N 9 122.400 123.873 -1.473 1
1 81 . 13 1 1 A 10 10 LYS H H 10 8.180 8.414 -0.234 1
1 82 . 13 1 1 A 10 10 LYS HA H 10 4.493 4.772 -0.279 1
1 91 . 13 1 1 A 10 10 LYS CA C 10 54.500 53.027 1.473 1
1 92 . 13 1 1 A 10 10 LYS CB C 10 32.750 32.764 -0.014 1
1 96 . 13 1 1 A 10 10 LYS N N 10 123.900 125.774 -1.874 1
1 97 . 13 1 1 A 11 11 PRO HA H 11 4.404 4.565 -0.161 1
1 104 . 13 1 1 A 11 11 PRO C C 11 174.099 176.892 -2.793 1
1 105 . 13 1 1 A 11 11 PRO CA C 11 63.451 63.099 0.352 1
1 106 . 13 1 1 A 11 11 PRO CB C 11 32.405 31.867 0.538 1
1 109 . 13 1 1 A 12 12 THR H H 12 8.277 8.403 -0.126 1
1 110 . 13 1 1 A 12 12 THR HA H 12 4.156 4.355 -0.199 1
1 115 . 13 1 1 A 12 12 THR C C 12 171.255 174.315 -3.060 1
1 116 . 13 1 1 A 12 12 THR CA C 12 62.829 63.168 -0.339 1
1 117 . 13 1 1 A 12 12 THR CB C 12 70.113 68.927 1.186 1
1 119 . 13 1 1 A 12 12 THR N N 12 116.775 118.307 -1.532 1
1 120 . 13 1 1 A 13 13 ILE H H 13 8.141 9.051 -0.910 1
1 121 . 13 1 1 A 13 13 ILE HA H 13 3.880 4.543 -0.663 1
1 131 . 13 1 1 A 13 13 ILE C C 13 171.936 176.096 -4.160 1
1 132 . 13 1 1 A 13 13 ILE CA C 13 61.000 59.868 1.132 1
1 133 . 13 1 1 A 13 13 ILE CB C 13 38.957 39.376 -0.419 1
1 137 . 13 1 1 A 13 13 ILE N N 13 126.554 128.528 -1.974 1
1 138 . 13 1 1 A 14 14 ILE H H 14 7.890 8.420 -0.530 1
1 139 . 13 1 1 A 14 14 ILE HA H 14 4.045 4.340 -0.295 1
1 149 . 13 1 1 A 14 14 ILE C C 14 171.624 174.832 -3.208 1
1 150 . 13 1 1 A 14 14 ILE CA C 14 60.132 61.560 -1.428 1
1 151 . 13 1 1 A 14 14 ILE CB C 14 38.760 37.694 1.066 1
1 155 . 13 1 1 A 14 14 ILE N N 14 127.503 128.478 -0.975 1
1 156 . 13 1 1 A 15 15 TYR H H 15 8.185 8.819 -0.634 1
1 165 . 13 1 1 A 15 15 TYR N N 15 123.664 125.474 -1.810 1
1 166 . 13 1 1 A 16 16 PRO HA H 16 5.087 5.415 -0.328 1
1 173 . 13 1 1 A 16 16 PRO C C 16 172.702 174.947 -2.245 1
1 174 . 13 1 1 A 16 16 PRO CA C 16 62.891 62.556 0.335 1
1 175 . 13 1 1 A 16 16 PRO CB C 16 36.288 33.429 2.859 1
1 178 . 13 1 1 A 17 17 CYS H H 17 8.579 8.634 -0.055 1
1 179 . 13 1 1 A 17 17 CYS HA H 17 4.924 4.915 0.009 1
1 182 . 13 1 1 A 17 17 CYS C C 17 169.725 173.426 -3.701 1
1 183 . 13 1 1 A 17 17 CYS CA C 17 55.925 58.118 -2.193 1
1 184 . 13 1 1 A 17 17 CYS CB C 17 31.200 31.753 -0.553 1
1 185 . 13 1 1 A 17 17 CYS N N 17 114.797 118.584 -3.787 1
1 186 . 13 1 1 A 18 18 LEU H H 18 8.449 8.775 -0.326 1
1 187 . 13 1 1 A 18 18 LEU HA H 18 4.336 4.861 -0.525 1
1 197 . 13 1 1 A 18 18 LEU C C 18 172.529 175.613 -3.084 1
1 198 . 13 1 1 A 18 18 LEU CA C 18 55.600 53.825 1.775 1
1 199 . 13 1 1 A 18 18 LEU CB C 18 42.550 41.710 0.840 1
1 203 . 13 1 1 A 18 18 LEU N N 18 122.242 123.698 -1.456 1
1 204 . 13 1 1 A 19 19 TRP H H 19 9.079 9.265 -0.186 1
1 205 . 13 1 1 A 19 19 TRP HA H 19 4.300 5.078 -0.778 1
1 214 . 13 1 1 A 19 19 TRP C C 19 170.195 174.619 -4.424 1
1 215 . 13 1 1 A 19 19 TRP CA C 19 56.750 55.942 0.808 1
1 216 . 13 1 1 A 19 19 TRP CB C 19 33.935 32.264 1.671 1
1 222 . 13 1 1 A 19 19 TRP N N 19 130.082 127.800 2.282 1
1 224 . 13 1 1 A 20 20 ASP H H 20 6.314 8.245 -1.931 1
1 225 . 13 1 1 A 20 20 ASP HA H 20 5.559 5.332 0.227 1
1 228 . 13 1 1 A 20 20 ASP C C 20 172.285 174.926 -2.641 1
1 229 . 13 1 1 A 20 20 ASP CA C 20 52.900 53.063 -0.163 1
1 230 . 13 1 1 A 20 20 ASP CB C 20 43.450 42.872 0.578 1
1 231 . 13 1 1 A 20 20 ASP N N 20 122.801 125.583 -2.782 1
1 232 . 13 1 1 A 21 21 TYR H H 21 9.519 9.593 -0.074 1
1 233 . 13 1 1 A 21 21 TYR HA H 21 4.975 5.183 -0.208 1
1 240 . 13 1 1 A 21 21 TYR C C 21 172.202 174.720 -2.518 1
1 241 . 13 1 1 A 21 21 TYR CA C 21 56.910 56.794 0.116 1
1 242 . 13 1 1 A 21 21 TYR CB C 21 40.850 41.032 -0.182 1
1 247 . 13 1 1 A 21 21 TYR N N 21 120.749 121.390 -0.641 1
1 248 . 13 1 1 A 22 22 ARG H H 22 8.758 8.956 -0.198 1
1 249 . 13 1 1 A 22 22 ARG HA H 22 5.189 4.725 0.464 1
1 256 . 13 1 1 A 22 22 ARG C C 22 172.210 175.201 -2.991 1
1 257 . 13 1 1 A 22 22 ARG CA C 22 55.180 56.345 -1.165 1
1 258 . 13 1 1 A 22 22 ARG CB C 22 31.360 30.775 0.585 1
1 261 . 13 1 1 A 22 22 ARG N N 22 124.405 125.490 -1.085 1
1 262 . 13 1 1 A 23 23 VAL H H 23 9.170 9.298 -0.128 1
1 263 . 13 1 1 A 23 23 VAL HA H 23 4.591 4.686 -0.095 1
1 271 . 13 1 1 A 23 23 VAL C C 23 171.354 175.012 -3.658 1
1 272 . 13 1 1 A 23 23 VAL CA C 23 61.836 61.786 0.050 1
1 273 . 13 1 1 A 23 23 VAL CB C 23 35.725 32.627 3.098 1
1 276 . 13 1 1 A 23 23 VAL N N 23 125.900 127.563 -1.663 1
1 277 . 13 1 1 A 24 24 ILE H H 24 8.919 9.194 -0.275 1
1 278 . 13 1 1 A 24 24 ILE HA H 24 5.119 5.099 0.020 1
1 288 . 13 1 1 A 24 24 ILE C C 24 173.492 175.189 -1.697 1
1 289 . 13 1 1 A 24 24 ILE CA C 24 60.567 60.819 -0.252 1
1 290 . 13 1 1 A 24 24 ILE CB C 24 38.346 37.793 0.553 1
1 294 . 13 1 1 A 24 24 ILE N N 24 127.789 128.905 -1.116 1
1 295 . 13 1 1 A 25 25 MET H H 25 9.857 8.877 0.980 1
1 296 . 13 1 1 A 25 25 MET HA H 25 6.017 5.187 0.830 1
1 304 . 13 1 1 A 25 25 MET C C 25 174.379 176.984 -2.605 1
1 305 . 13 1 1 A 25 25 MET CA C 25 54.898 54.388 0.510 1
1 306 . 13 1 1 A 25 25 MET CB C 25 40.260 35.583 4.677 1
1 309 . 13 1 1 A 25 25 MET N N 25 124.403 126.774 -2.371 1
1 310 . 13 1 1 A 26 26 THR H H 26 8.843 8.734 0.109 1
1 311 . 13 1 1 A 26 26 THR HA H 26 4.875 4.812 0.063 1
1 316 . 13 1 1 A 26 26 THR C C 26 170.849 174.083 -3.234 1
1 317 . 13 1 1 A 26 26 THR CA C 26 61.826 61.702 0.124 1
1 318 . 13 1 1 A 26 26 THR CB C 26 68.846 68.663 0.183 1
1 320 . 13 1 1 A 26 26 THR N N 26 108.669 112.273 -3.604 1
1 321 . 13 1 1 A 27 27 THR H H 27 7.342 7.828 -0.486 1
1 322 . 13 1 1 A 27 27 THR HA H 27 4.618 4.725 -0.107 1
1 327 . 13 1 1 A 27 27 THR C C 27 166.898 173.078 -6.180 1
1 328 . 13 1 1 A 27 27 THR CA C 27 58.657 60.305 -1.648 1
1 329 . 13 1 1 A 27 27 THR CB C 27 69.696 70.157 -0.461 1
1 331 . 13 1 1 A 27 27 THR N N 27 114.866 114.451 0.415 1
1 332 . 13 1 1 A 28 28 LYS H H 28 7.638 8.637 -0.999 1
1 333 . 13 1 1 A 28 28 LYS HA H 28 3.991 4.318 -0.327 1
1 342 . 13 1 1 A 28 28 LYS C C 28 173.190 176.472 -3.282 1
1 343 . 13 1 1 A 28 28 LYS CA C 28 55.731 56.392 -0.661 1
1 344 . 13 1 1 A 28 28 LYS CB C 28 32.790 32.288 0.502 1
1 348 . 13 1 1 A 28 28 LYS N N 28 121.283 124.342 -3.059 1
1 349 . 13 1 1 A 29 29 ASP H H 29 8.184 7.633 0.551 1
1 350 . 13 1 1 A 29 29 ASP HA H 29 4.401 4.605 -0.204 1
1 353 . 13 1 1 A 29 29 ASP C C 29 173.830 174.749 -0.919 1
1 354 . 13 1 1 A 29 29 ASP CA C 29 53.979 53.429 0.550 1
1 355 . 13 1 1 A 29 29 ASP CB C 29 40.730 40.168 0.562 1
1 356 . 13 1 1 A 29 29 ASP N N 29 120.231 121.900 -1.669 1
1 357 . 13 1 1 A 30 30 THR H H 30 7.830 8.379 -0.549 1
1 358 . 13 1 1 A 30 30 THR HA H 30 3.742 4.613 -0.871 1
1 363 . 13 1 1 A 30 30 THR C C 30 172.987 173.888 -0.901 1
1 364 . 13 1 1 A 30 30 THR CA C 30 61.299 60.165 1.134 1
1 365 . 13 1 1 A 30 30 THR CB C 30 69.294 68.569 0.725 1
1 367 . 13 1 1 A 30 30 THR N N 30 115.459 120.888 -5.429 1
1 368 . 13 1 1 A 31 31 SER H H 31 8.561 8.389 0.172 1
1 369 . 13 1 1 A 31 31 SER HA H 31 3.875 4.520 -0.645 1
1 372 . 13 1 1 A 31 31 SER CA C 31 63.520 58.672 4.848 1
1 373 . 13 1 1 A 31 31 SER CB C 31 62.332 64.054 -1.722 1
1 374 . 13 1 1 A 31 31 SER N N 31 119.763 122.397 -2.634 1
1 375 . 13 1 1 A 32 32 THR HA H 32 3.961 3.926 0.035 1
1 380 . 13 1 1 A 32 32 THR C C 32 173.850 176.357 -2.507 1
1 381 . 13 1 1 A 32 32 THR CA C 32 65.447 66.745 -1.298 1
1 382 . 13 1 1 A 32 32 THR CB C 32 68.715 68.693 0.022 1
1 384 . 13 1 1 A 33 33 LEU H H 33 7.209 8.065 -0.856 1
1 385 . 13 1 1 A 33 33 LEU HA H 33 3.950 3.862 0.088 1
1 395 . 13 1 1 A 33 33 LEU C C 33 174.505 178.558 -4.053 1
1 396 . 13 1 1 A 33 33 LEU CA C 33 57.653 58.525 -0.872 1
1 397 . 13 1 1 A 33 33 LEU CB C 33 42.210 41.573 0.637 1
1 401 . 13 1 1 A 33 33 LEU N N 33 125.158 121.677 3.481 1
1 402 . 13 1 1 A 34 34 LYS H H 34 8.671 7.998 0.673 1
1 403 . 13 1 1 A 34 34 LYS HA H 34 3.552 3.631 -0.079 1
1 412 . 13 1 1 A 34 34 LYS C C 34 174.794 180.034 -5.240 1
1 413 . 13 1 1 A 34 34 LYS CA C 34 61.226 60.133 1.093 1
1 414 . 13 1 1 A 34 34 LYS CB C 34 32.880 32.039 0.841 1
1 418 . 13 1 1 A 34 34 LYS N N 34 119.112 118.335 0.777 1
1 419 . 13 1 1 A 35 35 GLU H H 35 7.813 8.100 -0.287 1
1 420 . 13 1 1 A 35 35 GLU HA H 35 3.863 4.007 -0.144 1
1 425 . 13 1 1 A 35 35 GLU C C 35 176.222 179.065 -2.843 1
1 426 . 13 1 1 A 35 35 GLU CA C 35 59.721 59.067 0.654 1
1 427 . 13 1 1 A 35 35 GLU CB C 35 29.898 29.230 0.668 1
1 429 . 13 1 1 A 35 35 GLU N N 35 116.554 120.310 -3.756 1
1 430 . 13 1 1 A 36 36 LEU H H 36 7.153 7.678 -0.525 1
1 431 . 13 1 1 A 36 36 LEU HA H 36 4.175 3.961 0.214 1
1 441 . 13 1 1 A 36 36 LEU C C 36 177.281 179.255 -1.974 1
1 442 . 13 1 1 A 36 36 LEU CA C 36 58.018 58.030 -0.012 1
1 443 . 13 1 1 A 36 36 LEU CB C 36 41.720 41.176 0.544 1
1 447 . 13 1 1 A 36 36 LEU N N 36 119.071 118.806 0.265 1
1 448 . 13 1 1 A 37 37 LEU H H 37 8.245 7.724 0.521 1
1 449 . 13 1 1 A 37 37 LEU HA H 37 3.749 3.940 -0.191 1
1 459 . 13 1 1 A 37 37 LEU C C 37 177.903 179.627 -1.724 1
1 460 . 13 1 1 A 37 37 LEU CA C 37 58.278 58.393 -0.115 1
1 461 . 13 1 1 A 37 37 LEU CB C 37 39.600 39.735 -0.135 1
1 465 . 13 1 1 A 37 37 LEU N N 37 121.326 119.101 2.225 1
1 466 . 13 1 1 A 38 38 GLU H H 38 8.641 8.527 0.114 1
1 467 . 13 1 1 A 38 38 GLU HA H 38 4.320 4.312 0.008 1
1 472 . 13 1 1 A 38 38 GLU C C 38 177.074 179.298 -2.224 1
1 473 . 13 1 1 A 38 38 GLU CA C 38 59.619 59.376 0.243 1
1 474 . 13 1 1 A 38 38 GLU CB C 38 29.850 28.992 0.858 1
1 476 . 13 1 1 A 38 38 GLU N N 38 119.504 118.761 0.743 1
1 477 . 13 1 1 A 39 39 THR H H 39 7.653 7.757 -0.104 1
1 478 . 13 1 1 A 39 39 THR HA H 39 4.097 4.060 0.037 1
1 483 . 13 1 1 A 39 39 THR C C 39 173.229 175.811 -2.582 1
1 484 . 13 1 1 A 39 39 THR CA C 39 65.080 65.207 -0.127 1
1 485 . 13 1 1 A 39 39 THR CB C 39 69.952 68.447 1.505 1
1 487 . 13 1 1 A 39 39 THR N N 39 110.838 112.677 -1.839 1
1 488 . 13 1 1 A 40 40 TYR H H 40 7.478 7.426 0.052 1
1 489 . 13 1 1 A 40 40 TYR HA H 40 4.073 4.696 -0.623 1
1 496 . 13 1 1 A 40 40 TYR C C 40 172.486 175.041 -2.555 1
1 497 . 13 1 1 A 40 40 TYR CA C 40 61.549 57.089 4.460 1
1 498 . 13 1 1 A 40 40 TYR CB C 40 37.140 38.066 -0.926 1
1 503 . 13 1 1 A 40 40 TYR N N 40 118.654 120.587 -1.933 1
1 504 . 13 1 1 A 41 41 GLN H H 41 7.901 8.070 -0.169 1
1 505 . 13 1 1 A 41 41 GLN HA H 41 3.963 3.921 0.042 1
1 512 . 13 1 1 A 41 41 GLN C C 41 171.223 174.154 -2.931 1
1 513 . 13 1 1 A 41 41 GLN CA C 41 57.158 57.154 0.004 1
1 514 . 13 1 1 A 41 41 GLN CB C 41 27.330 26.350 0.980 1
1 516 . 13 1 1 A 41 41 GLN N N 41 116.315 116.046 0.269 1
1 518 . 13 1 1 A 42 42 ARG H H 42 8.493 7.885 0.608 1
1 519 . 13 1 1 A 42 42 ARG HA H 42 5.052 4.989 0.063 1
1 527 . 13 1 1 A 42 42 ARG CA C 42 54.040 53.950 0.090 1
1 528 . 13 1 1 A 42 42 ARG CB C 42 30.650 32.077 -1.427 1
1 531 . 13 1 1 A 42 42 ARG N N 42 115.494 115.170 0.324 1
1 533 . 13 1 1 A 43 43 PRO HA H 43 4.390 4.834 -0.444 1
1 540 . 13 1 1 A 43 43 PRO C C 43 172.836 176.462 -3.626 1
1 541 . 13 1 1 A 43 43 PRO CA C 43 63.574 62.568 1.006 1
1 542 . 13 1 1 A 43 43 PRO CB C 43 32.500 33.428 -0.928 1
1 545 . 13 1 1 A 44 44 PHE H H 44 7.742 8.605 -0.863 1
1 546 . 13 1 1 A 44 44 PHE HA H 44 5.281 5.249 0.032 1
1 554 . 13 1 1 A 44 44 PHE C C 44 170.840 172.238 -1.398 1
1 555 . 13 1 1 A 44 44 PHE CA C 44 56.174 56.240 -0.066 1
1 556 . 13 1 1 A 44 44 PHE CB C 44 42.280 41.527 0.753 1
1 562 . 13 1 1 A 44 44 PHE N N 44 115.046 117.412 -2.366 1
1 563 . 13 1 1 A 45 45 LYS H H 45 8.944 9.258 -0.314 1
1 564 . 13 1 1 A 45 45 LYS HA H 45 4.641 4.928 -0.287 1
1 573 . 13 1 1 A 45 45 LYS C C 45 171.934 174.572 -2.638 1
1 574 . 13 1 1 A 45 45 LYS CA C 45 55.210 55.045 0.165 1
1 575 . 13 1 1 A 45 45 LYS CB C 45 35.600 34.268 1.332 1
1 579 . 13 1 1 A 45 45 LYS N N 45 121.090 121.172 -0.082 1
1 580 . 13 1 1 A 46 46 LEU H H 46 8.897 8.850 0.047 1
1 581 . 13 1 1 A 46 46 LEU HA H 46 5.332 5.161 0.171 1
1 590 . 13 1 1 A 46 46 LEU C C 46 172.666 175.017 -2.351 1
1 591 . 13 1 1 A 46 46 LEU CA C 46 54.510 54.486 0.024 1
1 592 . 13 1 1 A 46 46 LEU CB C 46 44.620 43.853 0.767 1
1 595 . 13 1 1 A 46 46 LEU N N 46 128.615 128.986 -0.371 1
1 596 . 13 1 1 A 47 47 GLU H H 47 9.220 9.340 -0.120 1
1 597 . 13 1 1 A 47 47 GLU HA H 47 4.911 5.161 -0.250 1
1 602 . 13 1 1 A 47 47 GLU C C 47 172.392 174.626 -2.234 1
1 603 . 13 1 1 A 47 47 GLU CA C 47 54.980 54.370 0.610 1
1 604 . 13 1 1 A 47 47 GLU CB C 47 34.490 33.217 1.273 1
1 606 . 13 1 1 A 47 47 GLU N N 47 125.300 125.846 -0.546 1
1 607 . 13 1 1 A 48 48 PHE H H 48 9.157 9.142 0.015 1
1 608 . 13 1 1 A 48 48 PHE HA H 48 4.302 4.939 -0.637 1
1 616 . 13 1 1 A 48 48 PHE C C 48 171.971 174.499 -2.528 1
1 617 . 13 1 1 A 48 48 PHE CA C 48 58.240 56.907 1.333 1
1 618 . 13 1 1 A 48 48 PHE CB C 48 39.410 40.036 -0.626 1
1 624 . 13 1 1 A 48 48 PHE N N 48 126.911 124.878 2.033 1
1 625 . 13 1 1 A 49 49 LYS H H 49 8.256 8.629 -0.373 1
1 626 . 13 1 1 A 49 49 LYS HA H 49 4.176 4.088 0.088 1
1 635 . 13 1 1 A 49 49 LYS C C 49 172.030 175.914 -3.884 1
1 636 . 13 1 1 A 49 49 LYS CA C 49 55.244 57.933 -2.689 1
1 637 . 13 1 1 A 49 49 LYS CB C 49 32.640 32.942 -0.302 1
1 641 . 13 1 1 A 49 49 LYS N N 49 127.526 128.022 -0.496 1
1 642 . 13 1 1 A 50 50 ASN H H 50 7.062 7.177 -0.115 1
1 643 . 13 1 1 A 50 50 ASN HA H 50 4.353 4.547 -0.194 1
1 648 . 13 1 1 A 50 50 ASN C C 50 171.278 172.556 -1.278 1
1 649 . 13 1 1 A 50 50 ASN CA C 50 53.807 52.455 1.352 1
1 650 . 13 1 1 A 50 50 ASN CB C 50 40.460 41.727 -1.267 1
1 651 . 13 1 1 A 50 50 ASN N N 50 115.764 111.984 3.780 1
1 653 . 13 1 1 A 51 51 THR H H 51 8.217 8.523 -0.306 1
1 654 . 13 1 1 A 51 51 THR HA H 51 4.685 4.767 -0.082 1
1 659 . 13 1 1 A 51 51 THR C C 51 171.816 174.260 -2.444 1
1 660 . 13 1 1 A 51 51 THR CA C 51 61.243 61.668 -0.425 1
1 661 . 13 1 1 A 51 51 THR CB C 51 70.632 69.923 0.709 1
1 663 . 13 1 1 A 51 51 THR N N 51 114.341 117.380 -3.039 1
1 664 . 13 1 1 A 52 52 SER H H 52 8.314 9.023 -0.709 1
1 665 . 13 1 1 A 52 52 SER HA H 52 4.395 4.359 0.036 1
1 668 . 13 1 1 A 52 52 SER CA C 52 58.470 58.310 0.160 1
1 669 . 13 1 1 A 52 52 SER CB C 52 64.580 61.730 2.850 1
1 670 . 13 1 1 A 52 52 SER N N 52 118.503 121.995 -3.492 1
1 671 . 13 1 1 A 54 54 ASN HA H 54 4.484 4.768 -0.284 1
1 676 . 13 1 1 A 54 54 ASN C C 54 171.753 174.628 -2.875 1
1 677 . 13 1 1 A 54 54 ASN CA C 54 53.296 52.399 0.897 1
1 678 . 13 1 1 A 54 54 ASN CB C 54 38.080 38.362 -0.282 1
1 680 . 13 1 1 A 55 55 ALA H H 55 7.927 7.968 -0.041 1
1 681 . 13 1 1 A 55 55 ALA HA H 55 3.759 4.557 -0.798 1
1 685 . 13 1 1 A 55 55 ALA C C 55 173.386 177.043 -3.657 1
1 686 . 13 1 1 A 55 55 ALA CA C 55 53.266 53.184 0.082 1
1 687 . 13 1 1 A 55 55 ALA CB C 55 18.180 18.035 0.145 1
1 688 . 13 1 1 A 55 55 ALA N N 55 120.429 119.707 0.722 1
1 689 . 13 1 1 A 56 56 LYS H H 56 7.426 7.053 0.373 1
1 690 . 13 1 1 A 56 56 LYS HA H 56 3.919 3.692 0.227 1
1 702 . 13 1 1 A 56 56 LYS C C 56 172.612 175.226 -2.614 1
1 703 . 13 1 1 A 56 56 LYS CA C 56 57.113 57.906 -0.793 1
1 704 . 13 1 1 A 56 56 LYS CB C 56 33.566 33.180 0.386 1
1 708 . 13 1 1 A 56 56 LYS N N 56 116.392 117.741 -1.349 1
1 710 . 13 1 1 A 57 57 PHE H H 57 7.253 7.377 -0.124 1
1 711 . 13 1 1 A 57 57 PHE HA H 57 5.062 5.146 -0.084 1
1 719 . 13 1 1 A 57 57 PHE C C 57 171.527 173.755 -2.228 1
1 720 . 13 1 1 A 57 57 PHE CA C 57 54.920 56.362 -1.442 1
1 721 . 13 1 1 A 57 57 PHE CB C 57 41.910 43.170 -1.260 1
1 727 . 13 1 1 A 57 57 PHE N N 57 113.835 114.964 -1.129 1
1 728 . 13 1 1 A 58 58 TYR H H 58 9.172 9.410 -0.238 1
1 729 . 13 1 1 A 58 58 TYR HA H 58 4.746 5.139 -0.393 1
1 736 . 13 1 1 A 58 58 TYR C C 58 171.294 175.153 -3.859 1
1 737 . 13 1 1 A 58 58 TYR CA C 58 57.770 56.842 0.928 1
1 738 . 13 1 1 A 58 58 TYR CB C 58 41.784 40.352 1.432 1
1 743 . 13 1 1 A 58 58 TYR N N 58 121.139 121.518 -0.379 1
1 744 . 13 1 1 A 59 59 SER H H 59 8.786 8.743 0.043 1
1 745 . 13 1 1 A 59 59 SER HA H 59 5.399 4.859 0.540 1
1 748 . 13 1 1 A 59 59 SER C C 59 170.105 173.768 -3.663 1
1 749 . 13 1 1 A 59 59 SER CA C 59 57.650 58.650 -1.000 1
1 750 . 13 1 1 A 59 59 SER CB C 59 65.220 63.716 1.504 1
1 751 . 13 1 1 A 59 59 SER N N 59 118.511 121.415 -2.904 1
1 752 . 13 1 1 A 60 60 PHE H H 60 9.389 9.699 -0.310 1
1 753 . 13 1 1 A 60 60 PHE HA H 60 5.210 5.496 -0.286 1
1 761 . 13 1 1 A 60 60 PHE C C 60 172.188 174.725 -2.537 1
1 762 . 13 1 1 A 60 60 PHE CA C 60 56.824 56.549 0.275 1
1 763 . 13 1 1 A 60 60 PHE CB C 60 43.645 42.206 1.439 1
1 769 . 13 1 1 A 60 60 PHE N N 60 121.864 126.521 -4.657 1
1 770 . 13 1 1 A 61 61 ASN H H 61 9.448 9.453 -0.005 1
1 771 . 13 1 1 A 61 61 ASN HA H 61 5.564 5.770 -0.206 1
1 776 . 13 1 1 A 61 61 ASN C C 61 171.756 173.842 -2.086 1
1 777 . 13 1 1 A 61 61 ASN CA C 61 53.012 52.228 0.784 1
1 778 . 13 1 1 A 61 61 ASN CB C 61 42.580 42.130 0.450 1
1 779 . 13 1 1 A 61 61 ASN N N 61 121.107 119.247 1.860 1
1 781 . 13 1 1 A 62 62 VAL H H 62 9.361 9.546 -0.185 1
1 782 . 13 1 1 A 62 62 VAL HA H 62 5.159 5.273 -0.114 1
1 790 . 13 1 1 A 62 62 VAL C C 62 171.964 174.973 -3.009 1
1 791 . 13 1 1 A 62 62 VAL CA C 62 60.991 61.331 -0.340 1
1 792 . 13 1 1 A 62 62 VAL CB C 62 35.350 33.527 1.823 1
1 795 . 13 1 1 A 62 62 VAL N N 62 126.781 126.148 0.633 1
1 796 . 13 1 1 A 63 63 SER H H 63 8.750 9.155 -0.405 1
1 797 . 13 1 1 A 63 63 SER HA H 63 5.955 5.572 0.383 1
1 800 . 13 1 1 A 63 63 SER C C 63 171.905 173.775 -1.870 1
1 801 . 13 1 1 A 63 63 SER CA C 63 56.587 58.046 -1.459 1
1 802 . 13 1 1 A 63 63 SER CB C 63 65.231 63.849 1.382 1
1 803 . 13 1 1 A 63 63 SER N N 63 120.886 125.453 -4.567 1
1 804 . 13 1 1 A 64 64 MET H H 64 8.918 9.133 -0.215 1
1 805 . 13 1 1 A 64 64 MET HA H 64 4.622 5.321 -0.699 1
1 813 . 13 1 1 A 64 64 MET C C 64 170.352 174.985 -4.633 1
1 814 . 13 1 1 A 64 64 MET CA C 64 55.950 53.625 2.325 1
1 815 . 13 1 1 A 64 64 MET CB C 64 38.000 36.259 1.741 1
1 818 . 13 1 1 A 64 64 MET N N 64 123.839 123.446 0.393 1
1 819 . 13 1 1 A 65 65 GLU H H 65 9.213 8.563 0.650 1
1 820 . 13 1 1 A 65 65 GLU HA H 65 4.740 4.935 -0.195 1
1 825 . 13 1 1 A 65 65 GLU C C 65 172.659 176.565 -3.906 1
1 826 . 13 1 1 A 65 65 GLU CA C 65 57.547 57.012 0.535 1
1 827 . 13 1 1 A 65 65 GLU CB C 65 31.100 30.225 0.875 1
1 829 . 13 1 1 A 65 65 GLU N N 65 125.938 120.150 5.788 1
1 830 . 13 1 1 A 66 66 VAL H H 66 9.031 8.812 0.219 1
1 831 . 13 1 1 A 66 66 VAL HA H 66 4.632 4.726 -0.094 1
1 839 . 13 1 1 A 66 66 VAL C C 66 174.252 175.972 -1.720 1
1 840 . 13 1 1 A 66 66 VAL CA C 66 59.454 59.889 -0.435 1
1 841 . 13 1 1 A 66 66 VAL CB C 66 35.450 35.002 0.448 1
1 844 . 13 1 1 A 66 66 VAL N N 66 117.398 117.634 -0.236 1
1 845 . 13 1 1 A 67 67 SER H H 67 9.309 8.913 0.396 1
1 846 . 13 1 1 A 67 67 SER HA H 67 4.185 4.554 -0.369 1
1 849 . 13 1 1 A 67 67 SER C C 67 170.646 174.369 -3.723 1
1 850 . 13 1 1 A 67 67 SER CA C 67 61.719 59.738 1.981 1
1 851 . 13 1 1 A 67 67 SER CB C 67 64.540 64.329 0.211 1
1 852 . 13 1 1 A 67 67 SER N N 67 116.754 118.197 -1.443 1
1 853 . 13 1 1 A 68 68 ASN H H 68 7.279 7.748 -0.469 1
1 854 . 13 1 1 A 68 68 ASN HA H 68 3.345 4.284 -0.939 1
1 859 . 13 1 1 A 68 68 ASN C C 68 170.781 174.971 -4.190 1
1 860 . 13 1 1 A 68 68 ASN CA C 68 51.758 51.976 -0.218 1
1 861 . 13 1 1 A 68 68 ASN CB C 68 38.809 39.588 -0.779 1
1 862 . 13 1 1 A 68 68 ASN N N 68 110.062 114.451 -4.389 1
1 864 . 13 1 1 A 69 69 GLU H H 69 8.126 8.254 -0.128 1
1 865 . 13 1 1 A 69 69 GLU HA H 69 3.337 3.718 -0.381 1
1 870 . 13 1 1 A 69 69 GLU C C 69 174.537 177.496 -2.959 1
1 871 . 13 1 1 A 69 69 GLU CA C 69 59.749 59.127 0.622 1
1 872 . 13 1 1 A 69 69 GLU CB C 69 30.250 29.002 1.248 1
1 874 . 13 1 1 A 69 69 GLU N N 69 120.604 119.885 0.719 1
1 875 . 13 1 1 A 70 70 SER H H 70 7.981 7.718 0.263 1
1 876 . 13 1 1 A 70 70 SER HA H 70 4.030 4.016 0.014 1
1 879 . 13 1 1 A 70 70 SER C C 70 174.715 177.193 -2.478 1
1 880 . 13 1 1 A 70 70 SER CA C 70 62.097 61.449 0.648 1
1 881 . 13 1 1 A 70 70 SER CB C 70 62.350 62.778 -0.428 1
1 882 . 13 1 1 A 70 70 SER N N 70 114.770 114.298 0.472 1
1 883 . 13 1 1 A 71 71 GLU H H 71 8.572 7.751 0.821 1
1 884 . 13 1 1 A 71 71 GLU HA H 71 3.927 4.154 -0.227 1
1 889 . 13 1 1 A 71 71 GLU C C 71 174.769 179.211 -4.442 1
1 890 . 13 1 1 A 71 71 GLU CA C 71 59.849 59.268 0.581 1
1 891 . 13 1 1 A 71 71 GLU CB C 71 30.950 29.709 1.241 1
1 893 . 13 1 1 A 71 71 GLU N N 71 124.163 121.817 2.346 1
1 894 . 13 1 1 A 72 72 ARG H H 72 7.797 7.814 -0.017 1
1 895 . 13 1 1 A 72 72 ARG HA H 72 3.776 4.517 -0.741 1
1 900 . 13 1 1 A 72 72 ARG C C 72 177.552 178.527 -0.975 1
1 901 . 13 1 1 A 72 72 ARG CA C 72 58.680 59.065 -0.385 1
1 902 . 13 1 1 A 72 72 ARG CB C 72 30.110 29.995 0.115 1
1 905 . 13 1 1 A 72 72 ARG N N 72 118.396 118.867 -0.471 1
1 906 . 13 1 1 A 73 73 ASN H H 73 8.175 8.010 0.165 1
1 907 . 13 1 1 A 73 73 ASN HA H 73 4.461 4.511 -0.050 1
1 912 . 13 1 1 A 73 73 ASN C C 73 174.089 177.938 -3.849 1
1 913 . 13 1 1 A 73 73 ASN CA C 73 55.500 56.022 -0.522 1
1 914 . 13 1 1 A 73 73 ASN CB C 73 37.844 38.228 -0.384 1
1 915 . 13 1 1 A 73 73 ASN N N 73 118.156 117.844 0.312 1
1 917 . 13 1 1 A 74 74 GLU H H 74 8.473 8.148 0.325 1
1 918 . 13 1 1 A 74 74 GLU HA H 74 3.954 4.071 -0.117 1
1 923 . 13 1 1 A 74 74 GLU C C 74 175.719 178.978 -3.259 1
1 924 . 13 1 1 A 74 74 GLU CA C 74 60.093 59.172 0.921 1
1 925 . 13 1 1 A 74 74 GLU CB C 74 30.460 29.619 0.841 1
1 927 . 13 1 1 A 74 74 GLU N N 74 124.825 119.734 5.091 1
1 928 . 13 1 1 A 75 75 ILE H H 75 8.273 8.394 -0.121 1
1 929 . 13 1 1 A 75 75 ILE HA H 75 3.229 3.631 -0.402 1
1 939 . 13 1 1 A 75 75 ILE C C 75 174.591 177.987 -3.396 1
1 940 . 13 1 1 A 75 75 ILE CA C 75 66.460 65.394 1.066 1
1 941 . 13 1 1 A 75 75 ILE CB C 75 38.262 37.535 0.727 1
1 945 . 13 1 1 A 75 75 ILE N N 75 120.282 120.205 0.077 1
1 946 . 13 1 1 A 76 76 PHE H H 76 7.233 8.394 -1.161 1
1 947 . 13 1 1 A 76 76 PHE HA H 76 3.600 3.976 -0.376 1
1 955 . 13 1 1 A 76 76 PHE C C 76 175.036 177.828 -2.792 1
1 956 . 13 1 1 A 76 76 PHE CA C 76 62.227 61.492 0.735 1
1 957 . 13 1 1 A 76 76 PHE CB C 76 40.170 39.666 0.504 1
1 963 . 13 1 1 A 76 76 PHE N N 76 117.265 119.884 -2.619 1
1 964 . 13 1 1 A 77 77 GLN H H 77 8.262 8.087 0.175 1
1 965 . 13 1 1 A 77 77 GLN HA H 77 3.753 3.821 -0.068 1
1 972 . 13 1 1 A 77 77 GLN C C 77 176.132 178.989 -2.857 1
1 973 . 13 1 1 A 77 77 GLN CA C 77 59.113 59.425 -0.312 1
1 974 . 13 1 1 A 77 77 GLN CB C 77 28.487 28.642 -0.155 1
1 976 . 13 1 1 A 77 77 GLN N N 77 118.919 118.476 0.443 1
1 978 . 13 1 1 A 78 78 LYS H H 78 8.508 7.590 0.918 1
1 979 . 13 1 1 A 78 78 LYS HA H 78 3.804 4.018 -0.214 1
1 988 . 13 1 1 A 78 78 LYS C C 78 177.438 179.672 -2.234 1
1 989 . 13 1 1 A 78 78 LYS CA C 78 60.107 59.612 0.495 1
1 990 . 13 1 1 A 78 78 LYS CB C 78 33.160 32.516 0.644 1
1 994 . 13 1 1 A 78 78 LYS N N 78 119.345 119.088 0.257 1
1 995 . 13 1 1 A 79 79 ILE H H 79 8.395 8.100 0.295 1
1 996 . 13 1 1 A 79 79 ILE HA H 79 3.182 3.730 -0.548 1
1 1006 . 13 1 1 A 79 79 ILE C C 79 174.721 176.941 -2.220 1
1 1007 . 13 1 1 A 79 79 ILE CA C 79 66.280 65.019 1.261 1
1 1008 . 13 1 1 A 79 79 ILE CB C 79 38.360 37.442 0.918 1
1 1012 . 13 1 1 A 79 79 ILE N N 79 120.117 120.781 -0.664 1
1 1013 . 13 1 1 A 80 80 SER H H 80 7.459 7.657 -0.198 1
1 1014 . 13 1 1 A 80 80 SER HA H 80 3.868 4.131 -0.263 1
1 1017 . 13 1 1 A 80 80 SER C C 80 171.998 175.821 -3.823 1
1 1018 . 13 1 1 A 80 80 SER CA C 80 61.444 60.496 0.948 1
1 1019 . 13 1 1 A 80 80 SER CB C 80 63.500 62.935 0.565 1
1 1020 . 13 1 1 A 80 80 SER N N 80 110.857 116.612 -5.755 1
1 1021 . 13 1 1 A 81 81 GLN H H 81 7.095 7.804 -0.709 1
1 1022 . 13 1 1 A 81 81 GLN HA H 81 4.143 4.226 -0.083 1
1 1029 . 13 1 1 A 81 81 GLN C C 81 173.743 176.813 -3.070 1
1 1030 . 13 1 1 A 81 81 GLN CA C 81 55.894 57.067 -1.173 1
1 1031 . 13 1 1 A 81 81 GLN CB C 81 29.390 28.148 1.242 1
1 1033 . 13 1 1 A 81 81 GLN N N 81 117.056 119.263 -2.207 1
1 1035 . 13 1 1 A 82 82 LEU H H 82 7.495 7.605 -0.110 1
1 1036 . 13 1 1 A 82 82 LEU HA H 82 4.064 4.148 -0.084 1
1 1046 . 13 1 1 A 82 82 LEU C C 82 175.685 176.611 -0.926 1
1 1047 . 13 1 1 A 82 82 LEU CA C 82 55.730 55.468 0.262 1
1 1048 . 13 1 1 A 82 82 LEU CB C 82 41.740 42.492 -0.752 1
1 1052 . 13 1 1 A 82 82 LEU N N 82 123.191 119.312 3.879 1
1 1053 . 13 1 1 A 83 83 ASP H H 83 8.330 7.794 0.536 1
1 1054 . 13 1 1 A 83 83 ASP HA H 83 4.260 4.552 -0.292 1
1 1057 . 13 1 1 A 83 83 ASP C C 83 174.543 177.173 -2.630 1
1 1058 . 13 1 1 A 83 83 ASP CA C 83 57.056 55.766 1.290 1
1 1059 . 13 1 1 A 83 83 ASP CB C 83 41.590 40.587 1.003 1
1 1060 . 13 1 1 A 83 83 ASP N N 83 122.600 118.846 3.754 1
1 1061 . 13 1 1 A 84 84 LYS H H 84 8.152 8.144 0.008 1
1 1062 . 13 1 1 A 84 84 LYS HA H 84 4.060 4.306 -0.246 1
1 1071 . 13 1 1 A 84 84 LYS C C 84 172.461 176.272 -3.811 1
1 1072 . 13 1 1 A 84 84 LYS CA C 84 57.301 57.668 -0.367 1
1 1073 . 13 1 1 A 84 84 LYS CB C 84 31.140 32.543 -1.403 1
1 1077 . 13 1 1 A 84 84 LYS N N 84 113.797 117.148 -3.351 1
1 1078 . 13 1 1 A 85 85 VAL H H 85 7.290 7.570 -0.280 1
1 1079 . 13 1 1 A 85 85 VAL HA H 85 4.230 4.450 -0.220 1
1 1087 . 13 1 1 A 85 85 VAL C C 85 173.934 176.083 -2.149 1
1 1088 . 13 1 1 A 85 85 VAL CA C 85 63.300 61.042 2.258 1
1 1089 . 13 1 1 A 85 85 VAL CB C 85 32.320 33.211 -0.891 1
1 1092 . 13 1 1 A 85 85 VAL N N 85 118.733 120.076 -1.343 1
1 1093 . 13 1 1 A 86 86 VAL H H 86 9.093 8.955 0.138 1
1 1094 . 13 1 1 A 86 86 VAL HA H 86 4.165 4.360 -0.195 1
1 1102 . 13 1 1 A 86 86 VAL C C 86 173.235 175.674 -2.439 1
1 1103 . 13 1 1 A 86 86 VAL CA C 86 62.144 62.217 -0.073 1
1 1104 . 13 1 1 A 86 86 VAL CB C 86 33.397 33.005 0.392 1
1 1107 . 13 1 1 A 86 86 VAL N N 86 125.341 123.784 1.557 1
1 1108 . 13 1 1 A 87 87 GLN H H 87 7.727 7.308 0.419 1
1 1109 . 13 1 1 A 87 87 GLN HA H 87 4.437 4.798 -0.361 1
1 1114 . 13 1 1 A 87 87 GLN C C 87 170.954 174.045 -3.091 1
1 1115 . 13 1 1 A 87 87 GLN CA C 87 56.370 55.396 0.974 1
1 1116 . 13 1 1 A 87 87 GLN CB C 87 32.420 32.148 0.272 1
1 1118 . 13 1 1 A 87 87 GLN N N 87 119.469 120.122 -0.653 1
1 1119 . 13 1 1 A 88 88 THR H H 88 8.087 8.916 -0.829 1
1 1120 . 13 1 1 A 88 88 THR HA H 88 4.857 5.499 -0.642 1
1 1125 . 13 1 1 A 88 88 THR CA C 88 61.850 60.581 1.269 1
1 1126 . 13 1 1 A 88 88 THR CB C 88 69.900 70.784 -0.884 1
1 1128 . 13 1 1 A 88 88 THR N N 88 119.679 116.454 3.225 1
1 1129 . 13 1 1 A 89 89 LEU HA H 89 4.851 4.996 -0.145 1
1 1139 . 13 1 1 A 89 89 LEU C C 89 174.211 177.105 -2.894 1
1 1140 . 13 1 1 A 89 89 LEU CA C 89 54.590 53.546 1.044 1
1 1141 . 13 1 1 A 89 89 LEU CB C 89 44.176 42.259 1.917 1
1 1145 . 13 1 1 A 90 90 GLY H H 90 8.697 9.039 -0.342 1
1 1146 . 13 1 1 A 90 90 GLY HA2 H 90 4.181 4.171 0.010 1
1 1147 . 13 1 1 A 90 90 GLY HA3 H 90 4.267 4.256 0.011 1
1 1148 . 13 1 1 A 90 90 GLY C C 90 170.516 174.181 -3.665 1
1 1149 . 13 1 1 A 90 90 GLY CA C 90 45.810 45.798 0.012 1
1 1150 . 13 1 1 A 90 90 GLY N N 90 109.859 113.782 -3.923 1
1 1 . 14 1 1 A 2 2 GLY HA2 H 2 3.721 4.104 -0.383 1
1 2 . 14 1 1 A 2 2 GLY HA3 H 2 3.721 4.114 -0.393 1
1 3 . 14 1 1 A 2 2 GLY CA C 2 43.440 44.596 -1.156 1
1 4 . 14 1 1 A 3 3 HIS HA H 3 4.602 4.643 -0.041 1
1 9 . 14 1 1 A 3 3 HIS C C 3 172.383 174.540 -2.157 1
1 10 . 14 1 1 A 3 3 HIS CA C 3 56.270 55.122 1.148 1
1 11 . 14 1 1 A 3 3 HIS CB C 3 30.850 30.249 0.601 1
1 14 . 14 1 1 A 4 4 MET H H 4 8.397 8.339 0.058 1
1 15 . 14 1 1 A 4 4 MET HA H 4 4.720 4.380 0.340 1
1 23 . 14 1 1 A 4 4 MET CA C 4 53.410 53.842 -0.432 1
1 24 . 14 1 1 A 4 4 MET CB C 4 32.550 32.231 0.319 1
1 27 . 14 1 1 A 4 4 MET N N 4 123.715 125.083 -1.368 1
1 28 . 14 1 1 A 5 5 PRO HA H 5 4.340 4.655 -0.315 1
1 35 . 14 1 1 A 5 5 PRO C C 5 174.369 176.797 -2.428 1
1 36 . 14 1 1 A 5 5 PRO CA C 5 63.686 62.445 1.241 1
1 37 . 14 1 1 A 5 5 PRO CB C 5 32.430 30.464 1.966 1
1 40 . 14 1 1 A 6 6 SER H H 6 8.337 8.093 0.244 1
1 41 . 14 1 1 A 6 6 SER HA H 6 4.299 4.615 -0.316 1
1 44 . 14 1 1 A 6 6 SER C C 6 171.770 174.512 -2.742 1
1 45 . 14 1 1 A 6 6 SER CA C 6 58.800 58.856 -0.056 1
1 46 . 14 1 1 A 6 6 SER CB C 6 63.896 64.350 -0.454 1
1 47 . 14 1 1 A 6 6 SER N N 6 115.479 119.817 -4.338 1
1 48 . 14 1 1 A 7 7 ASP H H 7 8.269 8.737 -0.468 1
1 49 . 14 1 1 A 7 7 ASP HA H 7 4.545 4.704 -0.159 1
1 52 . 14 1 1 A 7 7 ASP C C 7 173.646 176.101 -2.455 1
1 53 . 14 1 1 A 7 7 ASP CA C 7 54.571 54.779 -0.208 1
1 54 . 14 1 1 A 7 7 ASP CB C 7 41.353 41.307 0.046 1
1 55 . 14 1 1 A 7 7 ASP N N 7 122.367 122.983 -0.616 1
1 56 . 14 1 1 A 8 8 SER H H 8 8.126 8.640 -0.514 1
1 57 . 14 1 1 A 8 8 SER HA H 8 4.337 4.232 0.105 1
1 60 . 14 1 1 A 8 8 SER C C 8 171.792 175.060 -3.268 1
1 61 . 14 1 1 A 8 8 SER CA C 8 58.950 58.632 0.318 1
1 62 . 14 1 1 A 8 8 SER CB C 8 64.140 63.022 1.118 1
1 63 . 14 1 1 A 8 8 SER N N 8 116.038 118.044 -2.006 1
1 64 . 14 1 1 A 9 9 LYS H H 9 8.400 8.896 -0.496 1
1 65 . 14 1 1 A 9 9 LYS HA H 9 4.225 3.964 0.261 1
1 74 . 14 1 1 A 9 9 LYS C C 9 173.626 175.386 -1.760 1
1 75 . 14 1 1 A 9 9 LYS CA C 9 56.391 57.163 -0.772 1
1 76 . 14 1 1 A 9 9 LYS CB C 9 32.970 30.894 2.076 1
1 80 . 14 1 1 A 9 9 LYS N N 9 122.400 127.131 -4.731 1
1 81 . 14 1 1 A 10 10 LYS H H 10 8.180 8.426 -0.246 1
1 82 . 14 1 1 A 10 10 LYS HA H 10 4.493 4.824 -0.331 1
1 91 . 14 1 1 A 10 10 LYS CA C 10 54.500 52.873 1.627 1
1 92 . 14 1 1 A 10 10 LYS CB C 10 32.750 33.205 -0.455 1
1 96 . 14 1 1 A 10 10 LYS N N 10 123.900 122.859 1.041 1
1 97 . 14 1 1 A 11 11 PRO HA H 11 4.404 4.455 -0.051 1
1 104 . 14 1 1 A 11 11 PRO C C 11 174.099 176.740 -2.641 1
1 105 . 14 1 1 A 11 11 PRO CA C 11 63.451 63.275 0.176 1
1 106 . 14 1 1 A 11 11 PRO CB C 11 32.405 32.024 0.381 1
1 109 . 14 1 1 A 12 12 THR H H 12 8.277 8.440 -0.163 1
1 110 . 14 1 1 A 12 12 THR HA H 12 4.156 4.361 -0.205 1
1 115 . 14 1 1 A 12 12 THR C C 12 171.255 174.239 -2.984 1
1 116 . 14 1 1 A 12 12 THR CA C 12 62.829 63.057 -0.228 1
1 117 . 14 1 1 A 12 12 THR CB C 12 70.113 68.836 1.277 1
1 119 . 14 1 1 A 12 12 THR N N 12 116.775 118.556 -1.781 1
1 120 . 14 1 1 A 13 13 ILE H H 13 8.141 8.908 -0.767 1
1 121 . 14 1 1 A 13 13 ILE HA H 13 3.880 4.556 -0.676 1
1 131 . 14 1 1 A 13 13 ILE C C 13 171.936 175.457 -3.521 1
1 132 . 14 1 1 A 13 13 ILE CA C 13 61.000 60.591 0.409 1
1 133 . 14 1 1 A 13 13 ILE CB C 13 38.957 38.217 0.740 1
1 137 . 14 1 1 A 13 13 ILE N N 13 126.554 128.302 -1.748 1
1 138 . 14 1 1 A 14 14 ILE H H 14 7.890 8.751 -0.861 1
1 139 . 14 1 1 A 14 14 ILE HA H 14 4.045 4.403 -0.358 1
1 149 . 14 1 1 A 14 14 ILE C C 14 171.624 175.142 -3.518 1
1 150 . 14 1 1 A 14 14 ILE CA C 14 60.132 61.143 -1.011 1
1 151 . 14 1 1 A 14 14 ILE CB C 14 38.760 37.625 1.135 1
1 155 . 14 1 1 A 14 14 ILE N N 14 127.503 128.147 -0.644 1
1 156 . 14 1 1 A 15 15 TYR H H 15 8.185 8.797 -0.612 1
1 165 . 14 1 1 A 15 15 TYR N N 15 123.664 127.334 -3.670 1
1 166 . 14 1 1 A 16 16 PRO HA H 16 5.087 5.365 -0.278 1
1 173 . 14 1 1 A 16 16 PRO C C 16 172.702 175.718 -3.016 1
1 174 . 14 1 1 A 16 16 PRO CA C 16 62.891 62.518 0.373 1
1 175 . 14 1 1 A 16 16 PRO CB C 16 36.288 33.027 3.261 1
1 178 . 14 1 1 A 17 17 CYS H H 17 8.579 8.105 0.474 1
1 179 . 14 1 1 A 17 17 CYS HA H 17 4.924 4.977 -0.053 1
1 182 . 14 1 1 A 17 17 CYS C C 17 169.725 173.103 -3.378 1
1 183 . 14 1 1 A 17 17 CYS CA C 17 55.925 57.215 -1.290 1
1 184 . 14 1 1 A 17 17 CYS CB C 17 31.200 31.056 0.144 1
1 185 . 14 1 1 A 17 17 CYS N N 17 114.797 116.692 -1.895 1
1 186 . 14 1 1 A 18 18 LEU H H 18 8.449 8.763 -0.314 1
1 187 . 14 1 1 A 18 18 LEU HA H 18 4.336 4.971 -0.635 1
1 197 . 14 1 1 A 18 18 LEU C C 18 172.529 175.704 -3.175 1
1 198 . 14 1 1 A 18 18 LEU CA C 18 55.600 53.826 1.774 1
1 199 . 14 1 1 A 18 18 LEU CB C 18 42.550 41.627 0.923 1
1 203 . 14 1 1 A 18 18 LEU N N 18 122.242 121.896 0.346 1
1 204 . 14 1 1 A 19 19 TRP H H 19 9.079 9.071 0.008 1
1 205 . 14 1 1 A 19 19 TRP HA H 19 4.300 5.044 -0.744 1
1 214 . 14 1 1 A 19 19 TRP C C 19 170.195 175.159 -4.964 1
1 215 . 14 1 1 A 19 19 TRP CA C 19 56.750 56.015 0.735 1
1 216 . 14 1 1 A 19 19 TRP CB C 19 33.935 32.286 1.649 1
1 222 . 14 1 1 A 19 19 TRP N N 19 130.082 127.801 2.281 1
1 224 . 14 1 1 A 20 20 ASP H H 20 6.314 8.076 -1.762 1
1 225 . 14 1 1 A 20 20 ASP HA H 20 5.559 5.723 -0.164 1
1 228 . 14 1 1 A 20 20 ASP C C 20 172.285 174.769 -2.484 1
1 229 . 14 1 1 A 20 20 ASP CA C 20 52.900 52.634 0.266 1
1 230 . 14 1 1 A 20 20 ASP CB C 20 43.450 42.336 1.114 1
1 231 . 14 1 1 A 20 20 ASP N N 20 122.801 125.547 -2.746 1
1 232 . 14 1 1 A 21 21 TYR H H 21 9.519 9.496 0.023 1
1 233 . 14 1 1 A 21 21 TYR HA H 21 4.975 5.195 -0.220 1
1 240 . 14 1 1 A 21 21 TYR C C 21 172.202 174.654 -2.452 1
1 241 . 14 1 1 A 21 21 TYR CA C 21 56.910 56.626 0.284 1
1 242 . 14 1 1 A 21 21 TYR CB C 21 40.850 40.565 0.285 1
1 247 . 14 1 1 A 21 21 TYR N N 21 120.749 121.566 -0.817 1
1 248 . 14 1 1 A 22 22 ARG H H 22 8.758 8.914 -0.156 1
1 249 . 14 1 1 A 22 22 ARG HA H 22 5.189 4.720 0.469 1
1 256 . 14 1 1 A 22 22 ARG C C 22 172.210 175.416 -3.206 1
1 257 . 14 1 1 A 22 22 ARG CA C 22 55.180 56.185 -1.005 1
1 258 . 14 1 1 A 22 22 ARG CB C 22 31.360 30.506 0.854 1
1 261 . 14 1 1 A 22 22 ARG N N 22 124.405 125.969 -1.564 1
1 262 . 14 1 1 A 23 23 VAL H H 23 9.170 9.264 -0.094 1
1 263 . 14 1 1 A 23 23 VAL HA H 23 4.591 5.074 -0.483 1
1 271 . 14 1 1 A 23 23 VAL C C 23 171.354 175.279 -3.925 1
1 272 . 14 1 1 A 23 23 VAL CA C 23 61.836 61.380 0.456 1
1 273 . 14 1 1 A 23 23 VAL CB C 23 35.725 35.106 0.619 1
1 276 . 14 1 1 A 23 23 VAL N N 23 125.900 126.876 -0.976 1
1 277 . 14 1 1 A 24 24 ILE H H 24 8.919 8.583 0.336 1
1 278 . 14 1 1 A 24 24 ILE HA H 24 5.119 5.416 -0.297 1
1 288 . 14 1 1 A 24 24 ILE C C 24 173.492 175.127 -1.635 1
1 289 . 14 1 1 A 24 24 ILE CA C 24 60.567 60.043 0.524 1
1 290 . 14 1 1 A 24 24 ILE CB C 24 38.346 40.835 -2.489 1
1 294 . 14 1 1 A 24 24 ILE N N 24 127.789 126.718 1.071 1
1 295 . 14 1 1 A 25 25 MET H H 25 9.857 9.301 0.556 1
1 296 . 14 1 1 A 25 25 MET HA H 25 6.017 5.353 0.664 1
1 304 . 14 1 1 A 25 25 MET C C 25 174.379 176.549 -2.170 1
1 305 . 14 1 1 A 25 25 MET CA C 25 54.898 54.205 0.693 1
1 306 . 14 1 1 A 25 25 MET CB C 25 40.260 37.575 2.685 1
1 309 . 14 1 1 A 25 25 MET N N 25 124.403 125.156 -0.753 1
1 310 . 14 1 1 A 26 26 THR H H 26 8.843 8.119 0.724 1
1 311 . 14 1 1 A 26 26 THR HA H 26 4.875 4.712 0.163 1
1 316 . 14 1 1 A 26 26 THR C C 26 170.849 174.127 -3.278 1
1 317 . 14 1 1 A 26 26 THR CA C 26 61.826 62.046 -0.220 1
1 318 . 14 1 1 A 26 26 THR CB C 26 68.846 68.913 -0.067 1
1 320 . 14 1 1 A 26 26 THR N N 26 108.669 113.066 -4.397 1
1 321 . 14 1 1 A 27 27 THR H H 27 7.342 7.832 -0.490 1
1 322 . 14 1 1 A 27 27 THR HA H 27 4.618 4.820 -0.202 1
1 327 . 14 1 1 A 27 27 THR C C 27 166.898 173.531 -6.633 1
1 328 . 14 1 1 A 27 27 THR CA C 27 58.657 60.428 -1.771 1
1 329 . 14 1 1 A 27 27 THR CB C 27 69.696 70.966 -1.270 1
1 331 . 14 1 1 A 27 27 THR N N 27 114.866 115.156 -0.290 1
1 332 . 14 1 1 A 28 28 LYS H H 28 7.638 8.522 -0.884 1
1 333 . 14 1 1 A 28 28 LYS HA H 28 3.991 4.323 -0.332 1
1 342 . 14 1 1 A 28 28 LYS C C 28 173.190 176.784 -3.594 1
1 343 . 14 1 1 A 28 28 LYS CA C 28 55.731 57.438 -1.707 1
1 344 . 14 1 1 A 28 28 LYS CB C 28 32.790 32.242 0.548 1
1 348 . 14 1 1 A 28 28 LYS N N 28 121.283 125.696 -4.413 1
1 349 . 14 1 1 A 29 29 ASP H H 29 8.184 7.341 0.843 1
1 350 . 14 1 1 A 29 29 ASP HA H 29 4.401 4.641 -0.240 1
1 353 . 14 1 1 A 29 29 ASP C C 29 173.830 174.665 -0.835 1
1 354 . 14 1 1 A 29 29 ASP CA C 29 53.979 53.209 0.770 1
1 355 . 14 1 1 A 29 29 ASP CB C 29 40.730 40.425 0.305 1
1 356 . 14 1 1 A 29 29 ASP N N 29 120.231 121.324 -1.093 1
1 357 . 14 1 1 A 30 30 THR H H 30 7.830 8.141 -0.311 1
1 358 . 14 1 1 A 30 30 THR HA H 30 3.742 4.665 -0.923 1
1 363 . 14 1 1 A 30 30 THR C C 30 172.987 172.999 -0.012 1
1 364 . 14 1 1 A 30 30 THR CA C 30 61.299 60.398 0.901 1
1 365 . 14 1 1 A 30 30 THR CB C 30 69.294 69.198 0.096 1
1 367 . 14 1 1 A 30 30 THR N N 30 115.459 121.358 -5.899 1
1 368 . 14 1 1 A 31 31 SER H H 31 8.561 8.542 0.019 1
1 369 . 14 1 1 A 31 31 SER HA H 31 3.875 4.570 -0.695 1
1 372 . 14 1 1 A 31 31 SER CA C 31 63.520 60.931 2.589 1
1 373 . 14 1 1 A 31 31 SER CB C 31 62.332 63.907 -1.575 1
1 374 . 14 1 1 A 31 31 SER N N 31 119.763 124.232 -4.469 1
1 375 . 14 1 1 A 32 32 THR HA H 32 3.961 3.928 0.033 1
1 380 . 14 1 1 A 32 32 THR C C 32 173.850 175.882 -2.032 1
1 381 . 14 1 1 A 32 32 THR CA C 32 65.447 67.125 -1.678 1
1 382 . 14 1 1 A 32 32 THR CB C 32 68.715 68.349 0.366 1
1 384 . 14 1 1 A 33 33 LEU H H 33 7.209 8.004 -0.795 1
1 385 . 14 1 1 A 33 33 LEU HA H 33 3.950 3.894 0.056 1
1 395 . 14 1 1 A 33 33 LEU C C 33 174.505 178.720 -4.215 1
1 396 . 14 1 1 A 33 33 LEU CA C 33 57.653 58.086 -0.433 1
1 397 . 14 1 1 A 33 33 LEU CB C 33 42.210 41.652 0.558 1
1 401 . 14 1 1 A 33 33 LEU N N 33 125.158 121.172 3.986 1
1 402 . 14 1 1 A 34 34 LYS H H 34 8.671 8.042 0.629 1
1 403 . 14 1 1 A 34 34 LYS HA H 34 3.552 3.874 -0.322 1
1 412 . 14 1 1 A 34 34 LYS C C 34 174.794 179.375 -4.581 1
1 413 . 14 1 1 A 34 34 LYS CA C 34 61.226 59.747 1.479 1
1 414 . 14 1 1 A 34 34 LYS CB C 34 32.880 32.372 0.508 1
1 418 . 14 1 1 A 34 34 LYS N N 34 119.112 119.098 0.014 1
1 419 . 14 1 1 A 35 35 GLU H H 35 7.813 8.142 -0.329 1
1 420 . 14 1 1 A 35 35 GLU HA H 35 3.863 4.042 -0.179 1
1 425 . 14 1 1 A 35 35 GLU C C 35 176.222 179.171 -2.949 1
1 426 . 14 1 1 A 35 35 GLU CA C 35 59.721 59.090 0.631 1
1 427 . 14 1 1 A 35 35 GLU CB C 35 29.898 29.282 0.616 1
1 429 . 14 1 1 A 35 35 GLU N N 35 116.554 120.521 -3.967 1
1 430 . 14 1 1 A 36 36 LEU H H 36 7.153 7.780 -0.627 1
1 431 . 14 1 1 A 36 36 LEU HA H 36 4.175 3.841 0.334 1
1 441 . 14 1 1 A 36 36 LEU C C 36 177.281 178.683 -1.402 1
1 442 . 14 1 1 A 36 36 LEU CA C 36 58.018 57.823 0.195 1
1 443 . 14 1 1 A 36 36 LEU CB C 36 41.720 41.092 0.628 1
1 447 . 14 1 1 A 36 36 LEU N N 36 119.071 118.850 0.221 1
1 448 . 14 1 1 A 37 37 LEU H H 37 8.245 7.986 0.259 1
1 449 . 14 1 1 A 37 37 LEU HA H 37 3.749 4.146 -0.397 1
1 459 . 14 1 1 A 37 37 LEU C C 37 177.903 178.991 -1.088 1
1 460 . 14 1 1 A 37 37 LEU CA C 37 58.278 58.026 0.252 1
1 461 . 14 1 1 A 37 37 LEU CB C 37 39.600 40.269 -0.669 1
1 465 . 14 1 1 A 37 37 LEU N N 37 121.326 118.934 2.392 1
1 466 . 14 1 1 A 38 38 GLU H H 38 8.641 8.420 0.221 1
1 467 . 14 1 1 A 38 38 GLU HA H 38 4.320 4.085 0.235 1
1 472 . 14 1 1 A 38 38 GLU C C 38 177.074 178.767 -1.693 1
1 473 . 14 1 1 A 38 38 GLU CA C 38 59.619 59.447 0.172 1
1 474 . 14 1 1 A 38 38 GLU CB C 38 29.850 29.152 0.698 1
1 476 . 14 1 1 A 38 38 GLU N N 38 119.504 119.081 0.423 1
1 477 . 14 1 1 A 39 39 THR H H 39 7.653 7.554 0.099 1
1 478 . 14 1 1 A 39 39 THR HA H 39 4.097 4.078 0.019 1
1 483 . 14 1 1 A 39 39 THR C C 39 173.229 175.023 -1.794 1
1 484 . 14 1 1 A 39 39 THR CA C 39 65.080 64.518 0.562 1
1 485 . 14 1 1 A 39 39 THR CB C 39 69.952 68.568 1.384 1
1 487 . 14 1 1 A 39 39 THR N N 39 110.838 113.744 -2.906 1
1 488 . 14 1 1 A 40 40 TYR H H 40 7.478 7.528 -0.050 1
1 489 . 14 1 1 A 40 40 TYR HA H 40 4.073 4.640 -0.567 1
1 496 . 14 1 1 A 40 40 TYR C C 40 172.486 174.997 -2.511 1
1 497 . 14 1 1 A 40 40 TYR CA C 40 61.549 57.457 4.092 1
1 498 . 14 1 1 A 40 40 TYR CB C 40 37.140 38.770 -1.630 1
1 503 . 14 1 1 A 40 40 TYR N N 40 118.654 120.207 -1.553 1
1 504 . 14 1 1 A 41 41 GLN H H 41 7.901 8.136 -0.235 1
1 505 . 14 1 1 A 41 41 GLN HA H 41 3.963 3.889 0.074 1
1 512 . 14 1 1 A 41 41 GLN C C 41 171.223 174.234 -3.011 1
1 513 . 14 1 1 A 41 41 GLN CA C 41 57.158 57.234 -0.076 1
1 514 . 14 1 1 A 41 41 GLN CB C 41 27.330 26.231 1.099 1
1 516 . 14 1 1 A 41 41 GLN N N 41 116.315 116.288 0.027 1
1 518 . 14 1 1 A 42 42 ARG H H 42 8.493 7.738 0.755 1
1 519 . 14 1 1 A 42 42 ARG HA H 42 5.052 5.027 0.025 1
1 527 . 14 1 1 A 42 42 ARG CA C 42 54.040 53.614 0.426 1
1 528 . 14 1 1 A 42 42 ARG CB C 42 30.650 32.755 -2.105 1
1 531 . 14 1 1 A 42 42 ARG N N 42 115.494 114.925 0.569 1
1 533 . 14 1 1 A 43 43 PRO HA H 43 4.390 4.827 -0.437 1
1 540 . 14 1 1 A 43 43 PRO C C 43 172.836 176.423 -3.587 1
1 541 . 14 1 1 A 43 43 PRO CA C 43 63.574 62.644 0.930 1
1 542 . 14 1 1 A 43 43 PRO CB C 43 32.500 33.179 -0.679 1
1 545 . 14 1 1 A 44 44 PHE H H 44 7.742 8.569 -0.827 1
1 546 . 14 1 1 A 44 44 PHE HA H 44 5.281 5.160 0.121 1
1 554 . 14 1 1 A 44 44 PHE C C 44 170.840 172.339 -1.499 1
1 555 . 14 1 1 A 44 44 PHE CA C 44 56.174 56.059 0.115 1
1 556 . 14 1 1 A 44 44 PHE CB C 44 42.280 41.517 0.763 1
1 562 . 14 1 1 A 44 44 PHE N N 44 115.046 117.639 -2.593 1
1 563 . 14 1 1 A 45 45 LYS H H 45 8.944 9.269 -0.325 1
1 564 . 14 1 1 A 45 45 LYS HA H 45 4.641 4.670 -0.029 1
1 573 . 14 1 1 A 45 45 LYS C C 45 171.934 175.375 -3.441 1
1 574 . 14 1 1 A 45 45 LYS CA C 45 55.210 55.248 -0.038 1
1 575 . 14 1 1 A 45 45 LYS CB C 45 35.600 33.721 1.879 1
1 579 . 14 1 1 A 45 45 LYS N N 45 121.090 121.561 -0.471 1
1 580 . 14 1 1 A 46 46 LEU H H 46 8.897 8.922 -0.025 1
1 581 . 14 1 1 A 46 46 LEU HA H 46 5.332 5.076 0.256 1
1 590 . 14 1 1 A 46 46 LEU C C 46 172.666 174.805 -2.139 1
1 591 . 14 1 1 A 46 46 LEU CA C 46 54.510 54.342 0.168 1
1 592 . 14 1 1 A 46 46 LEU CB C 46 44.620 43.613 1.007 1
1 595 . 14 1 1 A 46 46 LEU N N 46 128.615 129.205 -0.590 1
1 596 . 14 1 1 A 47 47 GLU H H 47 9.220 9.308 -0.088 1
1 597 . 14 1 1 A 47 47 GLU HA H 47 4.911 5.079 -0.168 1
1 602 . 14 1 1 A 47 47 GLU C C 47 172.392 174.733 -2.341 1
1 603 . 14 1 1 A 47 47 GLU CA C 47 54.980 55.050 -0.070 1
1 604 . 14 1 1 A 47 47 GLU CB C 47 34.490 33.212 1.278 1
1 606 . 14 1 1 A 47 47 GLU N N 47 125.300 127.001 -1.701 1
1 607 . 14 1 1 A 48 48 PHE H H 48 9.157 9.204 -0.047 1
1 608 . 14 1 1 A 48 48 PHE HA H 48 4.302 5.020 -0.718 1
1 616 . 14 1 1 A 48 48 PHE C C 48 171.971 174.440 -2.469 1
1 617 . 14 1 1 A 48 48 PHE CA C 48 58.240 56.622 1.618 1
1 618 . 14 1 1 A 48 48 PHE CB C 48 39.410 40.145 -0.735 1
1 624 . 14 1 1 A 48 48 PHE N N 48 126.911 124.845 2.066 1
1 625 . 14 1 1 A 49 49 LYS H H 49 8.256 8.508 -0.252 1
1 626 . 14 1 1 A 49 49 LYS HA H 49 4.176 4.207 -0.031 1
1 635 . 14 1 1 A 49 49 LYS C C 49 172.030 175.922 -3.892 1
1 636 . 14 1 1 A 49 49 LYS CA C 49 55.244 57.681 -2.437 1
1 637 . 14 1 1 A 49 49 LYS CB C 49 32.640 32.913 -0.273 1
1 641 . 14 1 1 A 49 49 LYS N N 49 127.526 127.559 -0.033 1
1 642 . 14 1 1 A 50 50 ASN H H 50 7.062 6.563 0.499 1
1 643 . 14 1 1 A 50 50 ASN HA H 50 4.353 4.682 -0.329 1
1 648 . 14 1 1 A 50 50 ASN C C 50 171.278 172.367 -1.089 1
1 649 . 14 1 1 A 50 50 ASN CA C 50 53.807 52.479 1.328 1
1 650 . 14 1 1 A 50 50 ASN CB C 50 40.460 41.423 -0.963 1
1 651 . 14 1 1 A 50 50 ASN N N 50 115.764 111.588 4.176 1
1 653 . 14 1 1 A 51 51 THR H H 51 8.217 8.603 -0.386 1
1 654 . 14 1 1 A 51 51 THR HA H 51 4.685 5.212 -0.527 1
1 659 . 14 1 1 A 51 51 THR C C 51 171.816 173.529 -1.713 1
1 660 . 14 1 1 A 51 51 THR CA C 51 61.243 59.701 1.542 1
1 661 . 14 1 1 A 51 51 THR CB C 51 70.632 72.261 -1.629 1
1 663 . 14 1 1 A 51 51 THR N N 51 114.341 115.669 -1.328 1
1 664 . 14 1 1 A 52 52 SER H H 52 8.314 8.959 -0.645 1
1 665 . 14 1 1 A 52 52 SER HA H 52 4.395 4.532 -0.137 1
1 668 . 14 1 1 A 52 52 SER CA C 52 58.470 57.919 0.551 1
1 669 . 14 1 1 A 52 52 SER CB C 52 64.580 64.801 -0.221 1
1 670 . 14 1 1 A 52 52 SER N N 52 118.503 119.566 -1.063 1
1 671 . 14 1 1 A 54 54 ASN HA H 54 4.484 4.692 -0.208 1
1 676 . 14 1 1 A 54 54 ASN C C 54 171.753 175.010 -3.257 1
1 677 . 14 1 1 A 54 54 ASN CA C 54 53.296 52.859 0.437 1
1 678 . 14 1 1 A 54 54 ASN CB C 54 38.080 38.362 -0.282 1
1 680 . 14 1 1 A 55 55 ALA H H 55 7.927 8.156 -0.229 1
1 681 . 14 1 1 A 55 55 ALA HA H 55 3.759 4.196 -0.437 1
1 685 . 14 1 1 A 55 55 ALA C C 55 173.386 177.017 -3.631 1
1 686 . 14 1 1 A 55 55 ALA CA C 55 53.266 53.066 0.200 1
1 687 . 14 1 1 A 55 55 ALA CB C 55 18.180 17.612 0.568 1
1 688 . 14 1 1 A 55 55 ALA N N 55 120.429 120.008 0.421 1
1 689 . 14 1 1 A 56 56 LYS H H 56 7.426 7.730 -0.304 1
1 690 . 14 1 1 A 56 56 LYS HA H 56 3.919 4.026 -0.107 1
1 702 . 14 1 1 A 56 56 LYS C C 56 172.612 175.426 -2.814 1
1 703 . 14 1 1 A 56 56 LYS CA C 56 57.113 57.115 -0.002 1
1 704 . 14 1 1 A 56 56 LYS CB C 56 33.566 33.100 0.466 1
1 708 . 14 1 1 A 56 56 LYS N N 56 116.392 116.941 -0.549 1
1 710 . 14 1 1 A 57 57 PHE H H 57 7.253 7.524 -0.271 1
1 711 . 14 1 1 A 57 57 PHE HA H 57 5.062 4.973 0.089 1
1 719 . 14 1 1 A 57 57 PHE C C 57 171.527 173.521 -1.994 1
1 720 . 14 1 1 A 57 57 PHE CA C 57 54.920 56.204 -1.284 1
1 721 . 14 1 1 A 57 57 PHE CB C 57 41.910 40.948 0.962 1
1 727 . 14 1 1 A 57 57 PHE N N 57 113.835 116.541 -2.706 1
1 728 . 14 1 1 A 58 58 TYR H H 58 9.172 9.378 -0.206 1
1 729 . 14 1 1 A 58 58 TYR HA H 58 4.746 5.050 -0.304 1
1 736 . 14 1 1 A 58 58 TYR C C 58 171.294 174.966 -3.672 1
1 737 . 14 1 1 A 58 58 TYR CA C 58 57.770 56.907 0.863 1
1 738 . 14 1 1 A 58 58 TYR CB C 58 41.784 40.330 1.454 1
1 743 . 14 1 1 A 58 58 TYR N N 58 121.139 123.798 -2.659 1
1 744 . 14 1 1 A 59 59 SER H H 59 8.786 8.919 -0.133 1
1 745 . 14 1 1 A 59 59 SER HA H 59 5.399 4.896 0.503 1
1 748 . 14 1 1 A 59 59 SER C C 59 170.105 173.575 -3.470 1
1 749 . 14 1 1 A 59 59 SER CA C 59 57.650 58.127 -0.477 1
1 750 . 14 1 1 A 59 59 SER CB C 59 65.220 63.630 1.590 1
1 751 . 14 1 1 A 59 59 SER N N 59 118.511 120.517 -2.006 1
1 752 . 14 1 1 A 60 60 PHE H H 60 9.389 9.628 -0.239 1
1 753 . 14 1 1 A 60 60 PHE HA H 60 5.210 5.463 -0.253 1
1 761 . 14 1 1 A 60 60 PHE C C 60 172.188 174.801 -2.613 1
1 762 . 14 1 1 A 60 60 PHE CA C 60 56.824 56.436 0.388 1
1 763 . 14 1 1 A 60 60 PHE CB C 60 43.645 42.542 1.103 1
1 769 . 14 1 1 A 60 60 PHE N N 60 121.864 126.078 -4.214 1
1 770 . 14 1 1 A 61 61 ASN H H 61 9.448 9.212 0.236 1
1 771 . 14 1 1 A 61 61 ASN HA H 61 5.564 5.581 -0.017 1
1 776 . 14 1 1 A 61 61 ASN C C 61 171.756 173.523 -1.767 1
1 777 . 14 1 1 A 61 61 ASN CA C 61 53.012 52.684 0.328 1
1 778 . 14 1 1 A 61 61 ASN CB C 61 42.580 42.176 0.404 1
1 779 . 14 1 1 A 61 61 ASN N N 61 121.107 118.815 2.292 1
1 781 . 14 1 1 A 62 62 VAL H H 62 9.361 9.376 -0.015 1
1 782 . 14 1 1 A 62 62 VAL HA H 62 5.159 5.009 0.150 1
1 790 . 14 1 1 A 62 62 VAL C C 62 171.964 174.904 -2.940 1
1 791 . 14 1 1 A 62 62 VAL CA C 62 60.991 61.286 -0.295 1
1 792 . 14 1 1 A 62 62 VAL CB C 62 35.350 33.201 2.149 1
1 795 . 14 1 1 A 62 62 VAL N N 62 126.781 127.444 -0.663 1
1 796 . 14 1 1 A 63 63 SER H H 63 8.750 9.086 -0.336 1
1 797 . 14 1 1 A 63 63 SER HA H 63 5.955 5.514 0.441 1
1 800 . 14 1 1 A 63 63 SER C C 63 171.905 173.521 -1.616 1
1 801 . 14 1 1 A 63 63 SER CA C 63 56.587 58.084 -1.497 1
1 802 . 14 1 1 A 63 63 SER CB C 63 65.231 63.894 1.337 1
1 803 . 14 1 1 A 63 63 SER N N 63 120.886 125.982 -5.096 1
1 804 . 14 1 1 A 64 64 MET H H 64 8.918 8.960 -0.042 1
1 805 . 14 1 1 A 64 64 MET HA H 64 4.622 5.402 -0.780 1
1 813 . 14 1 1 A 64 64 MET C C 64 170.352 175.318 -4.966 1
1 814 . 14 1 1 A 64 64 MET CA C 64 55.950 53.776 2.174 1
1 815 . 14 1 1 A 64 64 MET CB C 64 38.000 35.944 2.056 1
1 818 . 14 1 1 A 64 64 MET N N 64 123.839 123.440 0.399 1
1 819 . 14 1 1 A 65 65 GLU H H 65 9.213 8.525 0.688 1
1 820 . 14 1 1 A 65 65 GLU HA H 65 4.740 5.011 -0.271 1
1 825 . 14 1 1 A 65 65 GLU C C 65 172.659 176.473 -3.814 1
1 826 . 14 1 1 A 65 65 GLU CA C 65 57.547 56.871 0.676 1
1 827 . 14 1 1 A 65 65 GLU CB C 65 31.100 30.160 0.940 1
1 829 . 14 1 1 A 65 65 GLU N N 65 125.938 120.754 5.184 1
1 830 . 14 1 1 A 66 66 VAL H H 66 9.031 9.112 -0.081 1
1 831 . 14 1 1 A 66 66 VAL HA H 66 4.632 4.833 -0.201 1
1 839 . 14 1 1 A 66 66 VAL C C 66 174.252 175.787 -1.535 1
1 840 . 14 1 1 A 66 66 VAL CA C 66 59.454 60.742 -1.288 1
1 841 . 14 1 1 A 66 66 VAL CB C 66 35.450 34.093 1.357 1
1 844 . 14 1 1 A 66 66 VAL N N 66 117.398 120.871 -3.473 1
1 845 . 14 1 1 A 67 67 SER H H 67 9.309 9.259 0.050 1
1 846 . 14 1 1 A 67 67 SER HA H 67 4.185 4.557 -0.372 1
1 849 . 14 1 1 A 67 67 SER C C 67 170.646 174.439 -3.793 1
1 850 . 14 1 1 A 67 67 SER CA C 67 61.719 59.699 2.020 1
1 851 . 14 1 1 A 67 67 SER CB C 67 64.540 64.293 0.247 1
1 852 . 14 1 1 A 67 67 SER N N 67 116.754 117.972 -1.218 1
1 853 . 14 1 1 A 68 68 ASN H H 68 7.279 7.705 -0.426 1
1 854 . 14 1 1 A 68 68 ASN HA H 68 3.345 4.471 -1.126 1
1 859 . 14 1 1 A 68 68 ASN C C 68 170.781 175.040 -4.259 1
1 860 . 14 1 1 A 68 68 ASN CA C 68 51.758 52.002 -0.244 1
1 861 . 14 1 1 A 68 68 ASN CB C 68 38.809 39.288 -0.479 1
1 862 . 14 1 1 A 68 68 ASN N N 68 110.062 115.006 -4.944 1
1 864 . 14 1 1 A 69 69 GLU H H 69 8.126 8.357 -0.231 1
1 865 . 14 1 1 A 69 69 GLU HA H 69 3.337 3.772 -0.435 1
1 870 . 14 1 1 A 69 69 GLU C C 69 174.537 177.506 -2.969 1
1 871 . 14 1 1 A 69 69 GLU CA C 69 59.749 58.883 0.866 1
1 872 . 14 1 1 A 69 69 GLU CB C 69 30.250 28.936 1.314 1
1 874 . 14 1 1 A 69 69 GLU N N 69 120.604 119.569 1.035 1
1 875 . 14 1 1 A 70 70 SER H H 70 7.981 7.685 0.296 1
1 876 . 14 1 1 A 70 70 SER HA H 70 4.030 4.129 -0.099 1
1 879 . 14 1 1 A 70 70 SER C C 70 174.715 177.125 -2.410 1
1 880 . 14 1 1 A 70 70 SER CA C 70 62.097 61.245 0.852 1
1 881 . 14 1 1 A 70 70 SER CB C 70 62.350 63.117 -0.767 1
1 882 . 14 1 1 A 70 70 SER N N 70 114.770 114.671 0.099 1
1 883 . 14 1 1 A 71 71 GLU H H 71 8.572 7.466 1.106 1
1 884 . 14 1 1 A 71 71 GLU HA H 71 3.927 4.163 -0.236 1
1 889 . 14 1 1 A 71 71 GLU C C 71 174.769 178.843 -4.074 1
1 890 . 14 1 1 A 71 71 GLU CA C 71 59.849 59.148 0.701 1
1 891 . 14 1 1 A 71 71 GLU CB C 71 30.950 29.436 1.514 1
1 893 . 14 1 1 A 71 71 GLU N N 71 124.163 121.595 2.568 1
1 894 . 14 1 1 A 72 72 ARG H H 72 7.797 7.257 0.540 1
1 895 . 14 1 1 A 72 72 ARG HA H 72 3.776 4.464 -0.688 1
1 900 . 14 1 1 A 72 72 ARG C C 72 177.552 179.048 -1.496 1
1 901 . 14 1 1 A 72 72 ARG CA C 72 58.680 59.331 -0.651 1
1 902 . 14 1 1 A 72 72 ARG CB C 72 30.110 29.834 0.276 1
1 905 . 14 1 1 A 72 72 ARG N N 72 118.396 120.582 -2.186 1
1 906 . 14 1 1 A 73 73 ASN H H 73 8.175 8.446 -0.271 1
1 907 . 14 1 1 A 73 73 ASN HA H 73 4.461 4.569 -0.108 1
1 912 . 14 1 1 A 73 73 ASN C C 73 174.089 177.871 -3.782 1
1 913 . 14 1 1 A 73 73 ASN CA C 73 55.500 55.977 -0.477 1
1 914 . 14 1 1 A 73 73 ASN CB C 73 37.844 37.881 -0.037 1
1 915 . 14 1 1 A 73 73 ASN N N 73 118.156 118.113 0.043 1
1 917 . 14 1 1 A 74 74 GLU H H 74 8.473 7.920 0.553 1
1 918 . 14 1 1 A 74 74 GLU HA H 74 3.954 4.168 -0.214 1
1 923 . 14 1 1 A 74 74 GLU C C 74 175.719 179.197 -3.478 1
1 924 . 14 1 1 A 74 74 GLU CA C 74 60.093 58.939 1.154 1
1 925 . 14 1 1 A 74 74 GLU CB C 74 30.460 29.680 0.780 1
1 927 . 14 1 1 A 74 74 GLU N N 74 124.825 119.311 5.514 1
1 928 . 14 1 1 A 75 75 ILE H H 75 8.273 8.409 -0.136 1
1 929 . 14 1 1 A 75 75 ILE HA H 75 3.229 3.689 -0.460 1
1 939 . 14 1 1 A 75 75 ILE C C 75 174.591 178.132 -3.541 1
1 940 . 14 1 1 A 75 75 ILE CA C 75 66.460 65.043 1.417 1
1 941 . 14 1 1 A 75 75 ILE CB C 75 38.262 37.232 1.030 1
1 945 . 14 1 1 A 75 75 ILE N N 75 120.282 120.384 -0.102 1
1 946 . 14 1 1 A 76 76 PHE H H 76 7.233 8.573 -1.340 1
1 947 . 14 1 1 A 76 76 PHE HA H 76 3.600 4.072 -0.472 1
1 955 . 14 1 1 A 76 76 PHE C C 76 175.036 177.894 -2.858 1
1 956 . 14 1 1 A 76 76 PHE CA C 76 62.227 61.629 0.598 1
1 957 . 14 1 1 A 76 76 PHE CB C 76 40.170 39.502 0.668 1
1 963 . 14 1 1 A 76 76 PHE N N 76 117.265 121.312 -4.047 1
1 964 . 14 1 1 A 77 77 GLN H H 77 8.262 8.008 0.254 1
1 965 . 14 1 1 A 77 77 GLN HA H 77 3.753 3.679 0.074 1
1 972 . 14 1 1 A 77 77 GLN C C 77 176.132 178.760 -2.628 1
1 973 . 14 1 1 A 77 77 GLN CA C 77 59.113 59.493 -0.380 1
1 974 . 14 1 1 A 77 77 GLN CB C 77 28.487 28.928 -0.441 1
1 976 . 14 1 1 A 77 77 GLN N N 77 118.919 118.807 0.112 1
1 978 . 14 1 1 A 78 78 LYS H H 78 8.508 8.074 0.434 1
1 979 . 14 1 1 A 78 78 LYS HA H 78 3.804 4.005 -0.201 1
1 988 . 14 1 1 A 78 78 LYS C C 78 177.438 179.276 -1.838 1
1 989 . 14 1 1 A 78 78 LYS CA C 78 60.107 59.021 1.086 1
1 990 . 14 1 1 A 78 78 LYS CB C 78 33.160 32.588 0.572 1
1 994 . 14 1 1 A 78 78 LYS N N 78 119.345 119.141 0.204 1
1 995 . 14 1 1 A 79 79 ILE H H 79 8.395 7.983 0.412 1
1 996 . 14 1 1 A 79 79 ILE HA H 79 3.182 3.710 -0.528 1
1 1006 . 14 1 1 A 79 79 ILE C C 79 174.721 176.871 -2.150 1
1 1007 . 14 1 1 A 79 79 ILE CA C 79 66.280 64.674 1.606 1
1 1008 . 14 1 1 A 79 79 ILE CB C 79 38.360 37.289 1.071 1
1 1012 . 14 1 1 A 79 79 ILE N N 79 120.117 120.253 -0.136 1
1 1013 . 14 1 1 A 80 80 SER H H 80 7.459 7.731 -0.272 1
1 1014 . 14 1 1 A 80 80 SER HA H 80 3.868 4.160 -0.292 1
1 1017 . 14 1 1 A 80 80 SER C C 80 171.998 175.317 -3.319 1
1 1018 . 14 1 1 A 80 80 SER CA C 80 61.444 60.337 1.107 1
1 1019 . 14 1 1 A 80 80 SER CB C 80 63.500 62.753 0.747 1
1 1020 . 14 1 1 A 80 80 SER N N 80 110.857 116.482 -5.625 1
1 1021 . 14 1 1 A 81 81 GLN H H 81 7.095 7.674 -0.579 1
1 1022 . 14 1 1 A 81 81 GLN HA H 81 4.143 4.221 -0.078 1
1 1029 . 14 1 1 A 81 81 GLN C C 81 173.743 177.385 -3.642 1
1 1030 . 14 1 1 A 81 81 GLN CA C 81 55.894 56.742 -0.848 1
1 1031 . 14 1 1 A 81 81 GLN CB C 81 29.390 29.076 0.314 1
1 1033 . 14 1 1 A 81 81 GLN N N 81 117.056 118.906 -1.850 1
1 1035 . 14 1 1 A 82 82 LEU H H 82 7.495 7.603 -0.108 1
1 1036 . 14 1 1 A 82 82 LEU HA H 82 4.064 4.146 -0.082 1
1 1046 . 14 1 1 A 82 82 LEU C C 82 175.685 176.554 -0.869 1
1 1047 . 14 1 1 A 82 82 LEU CA C 82 55.730 55.803 -0.073 1
1 1048 . 14 1 1 A 82 82 LEU CB C 82 41.740 42.273 -0.533 1
1 1052 . 14 1 1 A 82 82 LEU N N 82 123.191 119.204 3.987 1
1 1053 . 14 1 1 A 83 83 ASP H H 83 8.330 8.183 0.147 1
1 1054 . 14 1 1 A 83 83 ASP HA H 83 4.260 4.522 -0.262 1
1 1057 . 14 1 1 A 83 83 ASP C C 83 174.543 177.114 -2.571 1
1 1058 . 14 1 1 A 83 83 ASP CA C 83 57.056 55.752 1.304 1
1 1059 . 14 1 1 A 83 83 ASP CB C 83 41.590 40.590 1.000 1
1 1060 . 14 1 1 A 83 83 ASP N N 83 122.600 118.836 3.764 1
1 1061 . 14 1 1 A 84 84 LYS H H 84 8.152 8.222 -0.070 1
1 1062 . 14 1 1 A 84 84 LYS HA H 84 4.060 4.339 -0.279 1
1 1071 . 14 1 1 A 84 84 LYS C C 84 172.461 176.421 -3.960 1
1 1072 . 14 1 1 A 84 84 LYS CA C 84 57.301 57.414 -0.113 1
1 1073 . 14 1 1 A 84 84 LYS CB C 84 31.140 32.475 -1.335 1
1 1077 . 14 1 1 A 84 84 LYS N N 84 113.797 116.841 -3.044 1
1 1078 . 14 1 1 A 85 85 VAL H H 85 7.290 7.516 -0.226 1
1 1079 . 14 1 1 A 85 85 VAL HA H 85 4.230 4.419 -0.189 1
1 1087 . 14 1 1 A 85 85 VAL C C 85 173.934 176.119 -2.185 1
1 1088 . 14 1 1 A 85 85 VAL CA C 85 63.300 61.907 1.393 1
1 1089 . 14 1 1 A 85 85 VAL CB C 85 32.320 32.905 -0.585 1
1 1092 . 14 1 1 A 85 85 VAL N N 85 118.733 120.645 -1.912 1
1 1093 . 14 1 1 A 86 86 VAL H H 86 9.093 9.265 -0.172 1
1 1094 . 14 1 1 A 86 86 VAL HA H 86 4.165 4.582 -0.417 1
1 1102 . 14 1 1 A 86 86 VAL C C 86 173.235 175.363 -2.128 1
1 1103 . 14 1 1 A 86 86 VAL CA C 86 62.144 61.506 0.638 1
1 1104 . 14 1 1 A 86 86 VAL CB C 86 33.397 33.595 -0.198 1
1 1107 . 14 1 1 A 86 86 VAL N N 86 125.341 123.573 1.768 1
1 1108 . 14 1 1 A 87 87 GLN H H 87 7.727 7.611 0.116 1
1 1109 . 14 1 1 A 87 87 GLN HA H 87 4.437 4.857 -0.420 1
1 1114 . 14 1 1 A 87 87 GLN C C 87 170.954 174.043 -3.089 1
1 1115 . 14 1 1 A 87 87 GLN CA C 87 56.370 55.643 0.727 1
1 1116 . 14 1 1 A 87 87 GLN CB C 87 32.420 32.384 0.036 1
1 1118 . 14 1 1 A 87 87 GLN N N 87 119.469 121.632 -2.163 1
1 1119 . 14 1 1 A 88 88 THR H H 88 8.087 8.861 -0.774 1
1 1120 . 14 1 1 A 88 88 THR HA H 88 4.857 5.324 -0.467 1
1 1125 . 14 1 1 A 88 88 THR CA C 88 61.850 60.757 1.093 1
1 1126 . 14 1 1 A 88 88 THR CB C 88 69.900 70.955 -1.055 1
1 1128 . 14 1 1 A 88 88 THR N N 88 119.679 116.636 3.043 1
1 1129 . 14 1 1 A 89 89 LEU HA H 89 4.851 5.212 -0.361 1
1 1139 . 14 1 1 A 89 89 LEU C C 89 174.211 177.075 -2.864 1
1 1140 . 14 1 1 A 89 89 LEU CA C 89 54.590 53.375 1.215 1
1 1141 . 14 1 1 A 89 89 LEU CB C 89 44.176 43.904 0.272 1
1 1145 . 14 1 1 A 90 90 GLY H H 90 8.697 9.013 -0.316 1
1 1146 . 14 1 1 A 90 90 GLY HA2 H 90 4.181 4.249 -0.068 1
1 1147 . 14 1 1 A 90 90 GLY HA3 H 90 4.267 4.352 -0.085 1
1 1148 . 14 1 1 A 90 90 GLY C C 90 170.516 174.198 -3.682 1
1 1149 . 14 1 1 A 90 90 GLY CA C 90 45.810 45.580 0.230 1
1 1150 . 14 1 1 A 90 90 GLY N N 90 109.859 113.937 -4.078 1
1 1 . 15 1 1 A 2 2 GLY HA2 H 2 3.721 4.273 -0.552 1
1 2 . 15 1 1 A 2 2 GLY HA3 H 2 3.721 4.331 -0.610 1
1 3 . 15 1 1 A 2 2 GLY CA C 2 43.440 46.233 -2.793 1
1 4 . 15 1 1 A 3 3 HIS HA H 3 4.602 5.456 -0.854 1
1 9 . 15 1 1 A 3 3 HIS C C 3 172.383 173.188 -0.805 1
1 10 . 15 1 1 A 3 3 HIS CA C 3 56.270 53.958 2.312 1
1 11 . 15 1 1 A 3 3 HIS CB C 3 30.850 32.948 -2.098 1
1 14 . 15 1 1 A 4 4 MET H H 4 8.397 8.969 -0.572 1
1 15 . 15 1 1 A 4 4 MET HA H 4 4.720 4.553 0.167 1
1 23 . 15 1 1 A 4 4 MET CA C 4 53.410 53.790 -0.380 1
1 24 . 15 1 1 A 4 4 MET CB C 4 32.550 32.655 -0.105 1
1 27 . 15 1 1 A 4 4 MET N N 4 123.715 118.744 4.971 1
1 28 . 15 1 1 A 5 5 PRO HA H 5 4.340 4.714 -0.374 1
1 35 . 15 1 1 A 5 5 PRO C C 5 174.369 176.466 -2.097 1
1 36 . 15 1 1 A 5 5 PRO CA C 5 63.686 62.313 1.373 1
1 37 . 15 1 1 A 5 5 PRO CB C 5 32.430 30.428 2.002 1
1 40 . 15 1 1 A 6 6 SER H H 6 8.337 8.598 -0.261 1
1 41 . 15 1 1 A 6 6 SER HA H 6 4.299 4.372 -0.073 1
1 44 . 15 1 1 A 6 6 SER C C 6 171.770 174.804 -3.034 1
1 45 . 15 1 1 A 6 6 SER CA C 6 58.800 59.183 -0.383 1
1 46 . 15 1 1 A 6 6 SER CB C 6 63.896 63.239 0.657 1
1 47 . 15 1 1 A 6 6 SER N N 6 115.479 118.938 -3.459 1
1 48 . 15 1 1 A 7 7 ASP H H 7 8.269 8.559 -0.290 1
1 49 . 15 1 1 A 7 7 ASP HA H 7 4.545 4.396 0.149 1
1 52 . 15 1 1 A 7 7 ASP C C 7 173.646 176.591 -2.945 1
1 53 . 15 1 1 A 7 7 ASP CA C 7 54.571 54.937 -0.366 1
1 54 . 15 1 1 A 7 7 ASP CB C 7 41.353 40.184 1.169 1
1 55 . 15 1 1 A 7 7 ASP N N 7 122.367 128.140 -5.773 1
1 56 . 15 1 1 A 8 8 SER H H 8 8.126 7.658 0.468 1
1 57 . 15 1 1 A 8 8 SER HA H 8 4.337 4.546 -0.209 1
1 60 . 15 1 1 A 8 8 SER C C 8 171.792 174.759 -2.967 1
1 61 . 15 1 1 A 8 8 SER CA C 8 58.950 58.645 0.305 1
1 62 . 15 1 1 A 8 8 SER CB C 8 64.140 62.888 1.252 1
1 63 . 15 1 1 A 8 8 SER N N 8 116.038 113.469 2.569 1
1 64 . 15 1 1 A 9 9 LYS H H 9 8.400 7.683 0.717 1
1 65 . 15 1 1 A 9 9 LYS HA H 9 4.225 4.277 -0.052 1
1 74 . 15 1 1 A 9 9 LYS C C 9 173.626 176.004 -2.378 1
1 75 . 15 1 1 A 9 9 LYS CA C 9 56.391 56.702 -0.311 1
1 76 . 15 1 1 A 9 9 LYS CB C 9 32.970 32.954 0.016 1
1 80 . 15 1 1 A 9 9 LYS N N 9 122.400 121.298 1.102 1
1 81 . 15 1 1 A 10 10 LYS H H 10 8.180 8.412 -0.232 1
1 82 . 15 1 1 A 10 10 LYS HA H 10 4.493 4.662 -0.169 1
1 91 . 15 1 1 A 10 10 LYS CA C 10 54.500 53.824 0.676 1
1 92 . 15 1 1 A 10 10 LYS CB C 10 32.750 32.071 0.679 1
1 96 . 15 1 1 A 10 10 LYS N N 10 123.900 122.219 1.681 1
1 97 . 15 1 1 A 11 11 PRO HA H 11 4.404 4.467 -0.063 1
1 104 . 15 1 1 A 11 11 PRO C C 11 174.099 176.766 -2.667 1
1 105 . 15 1 1 A 11 11 PRO CA C 11 63.451 63.226 0.225 1
1 106 . 15 1 1 A 11 11 PRO CB C 11 32.405 31.965 0.440 1
1 109 . 15 1 1 A 12 12 THR H H 12 8.277 8.445 -0.168 1
1 110 . 15 1 1 A 12 12 THR HA H 12 4.156 4.289 -0.133 1
1 115 . 15 1 1 A 12 12 THR C C 12 171.255 174.469 -3.214 1
1 116 . 15 1 1 A 12 12 THR CA C 12 62.829 63.368 -0.539 1
1 117 . 15 1 1 A 12 12 THR CB C 12 70.113 68.628 1.485 1
1 119 . 15 1 1 A 12 12 THR N N 12 116.775 118.562 -1.787 1
1 120 . 15 1 1 A 13 13 ILE H H 13 8.141 8.727 -0.586 1
1 121 . 15 1 1 A 13 13 ILE HA H 13 3.880 4.179 -0.299 1
1 131 . 15 1 1 A 13 13 ILE C C 13 171.936 176.198 -4.262 1
1 132 . 15 1 1 A 13 13 ILE CA C 13 61.000 61.133 -0.133 1
1 133 . 15 1 1 A 13 13 ILE CB C 13 38.957 38.158 0.799 1
1 137 . 15 1 1 A 13 13 ILE N N 13 126.554 127.950 -1.396 1
1 138 . 15 1 1 A 14 14 ILE H H 14 7.890 8.331 -0.441 1
1 139 . 15 1 1 A 14 14 ILE HA H 14 4.045 4.339 -0.294 1
1 149 . 15 1 1 A 14 14 ILE C C 14 171.624 174.784 -3.160 1
1 150 . 15 1 1 A 14 14 ILE CA C 14 60.132 61.647 -1.515 1
1 151 . 15 1 1 A 14 14 ILE CB C 14 38.760 37.783 0.977 1
1 155 . 15 1 1 A 14 14 ILE N N 14 127.503 127.628 -0.125 1
1 156 . 15 1 1 A 15 15 TYR H H 15 8.185 8.812 -0.627 1
1 165 . 15 1 1 A 15 15 TYR N N 15 123.664 125.772 -2.108 1
1 166 . 15 1 1 A 16 16 PRO HA H 16 5.087 5.211 -0.124 1
1 173 . 15 1 1 A 16 16 PRO C C 16 172.702 175.017 -2.315 1
1 174 . 15 1 1 A 16 16 PRO CA C 16 62.891 62.461 0.430 1
1 175 . 15 1 1 A 16 16 PRO CB C 16 36.288 33.361 2.927 1
1 178 . 15 1 1 A 17 17 CYS H H 17 8.579 8.564 0.015 1
1 179 . 15 1 1 A 17 17 CYS HA H 17 4.924 4.868 0.056 1
1 182 . 15 1 1 A 17 17 CYS C C 17 169.725 173.526 -3.801 1
1 183 . 15 1 1 A 17 17 CYS CA C 17 55.925 58.012 -2.087 1
1 184 . 15 1 1 A 17 17 CYS CB C 17 31.200 31.603 -0.403 1
1 185 . 15 1 1 A 17 17 CYS N N 17 114.797 118.748 -3.951 1
1 186 . 15 1 1 A 18 18 LEU H H 18 8.449 8.590 -0.141 1
1 187 . 15 1 1 A 18 18 LEU HA H 18 4.336 4.486 -0.150 1
1 197 . 15 1 1 A 18 18 LEU C C 18 172.529 175.927 -3.398 1
1 198 . 15 1 1 A 18 18 LEU CA C 18 55.600 55.055 0.545 1
1 199 . 15 1 1 A 18 18 LEU CB C 18 42.550 41.071 1.479 1
1 203 . 15 1 1 A 18 18 LEU N N 18 122.242 123.301 -1.059 1
1 204 . 15 1 1 A 19 19 TRP H H 19 9.079 9.071 0.008 1
1 205 . 15 1 1 A 19 19 TRP HA H 19 4.300 5.042 -0.742 1
1 214 . 15 1 1 A 19 19 TRP C C 19 170.195 174.929 -4.734 1
1 215 . 15 1 1 A 19 19 TRP CA C 19 56.750 55.725 1.025 1
1 216 . 15 1 1 A 19 19 TRP CB C 19 33.935 31.545 2.390 1
1 222 . 15 1 1 A 19 19 TRP N N 19 130.082 127.485 2.597 1
1 224 . 15 1 1 A 20 20 ASP H H 20 6.314 8.497 -2.183 1
1 225 . 15 1 1 A 20 20 ASP HA H 20 5.559 5.782 -0.223 1
1 228 . 15 1 1 A 20 20 ASP C C 20 172.285 174.695 -2.410 1
1 229 . 15 1 1 A 20 20 ASP CA C 20 52.900 52.401 0.499 1
1 230 . 15 1 1 A 20 20 ASP CB C 20 43.450 42.246 1.204 1
1 231 . 15 1 1 A 20 20 ASP N N 20 122.801 125.593 -2.792 1
1 232 . 15 1 1 A 21 21 TYR H H 21 9.519 9.628 -0.109 1
1 233 . 15 1 1 A 21 21 TYR HA H 21 4.975 5.017 -0.042 1
1 240 . 15 1 1 A 21 21 TYR C C 21 172.202 175.088 -2.886 1
1 241 . 15 1 1 A 21 21 TYR CA C 21 56.910 57.272 -0.362 1
1 242 . 15 1 1 A 21 21 TYR CB C 21 40.850 40.431 0.419 1
1 247 . 15 1 1 A 21 21 TYR N N 21 120.749 122.910 -2.161 1
1 248 . 15 1 1 A 22 22 ARG H H 22 8.758 9.084 -0.326 1
1 249 . 15 1 1 A 22 22 ARG HA H 22 5.189 4.736 0.453 1
1 256 . 15 1 1 A 22 22 ARG C C 22 172.210 175.439 -3.229 1
1 257 . 15 1 1 A 22 22 ARG CA C 22 55.180 55.587 -0.407 1
1 258 . 15 1 1 A 22 22 ARG CB C 22 31.360 31.292 0.068 1
1 261 . 15 1 1 A 22 22 ARG N N 22 124.405 124.600 -0.195 1
1 262 . 15 1 1 A 23 23 VAL H H 23 9.170 9.024 0.146 1
1 263 . 15 1 1 A 23 23 VAL HA H 23 4.591 4.908 -0.317 1
1 271 . 15 1 1 A 23 23 VAL C C 23 171.354 174.953 -3.599 1
1 272 . 15 1 1 A 23 23 VAL CA C 23 61.836 61.365 0.471 1
1 273 . 15 1 1 A 23 23 VAL CB C 23 35.725 34.120 1.605 1
1 276 . 15 1 1 A 23 23 VAL N N 23 125.900 127.240 -1.340 1
1 277 . 15 1 1 A 24 24 ILE H H 24 8.919 9.221 -0.302 1
1 278 . 15 1 1 A 24 24 ILE HA H 24 5.119 5.114 0.005 1
1 288 . 15 1 1 A 24 24 ILE C C 24 173.492 175.282 -1.790 1
1 289 . 15 1 1 A 24 24 ILE CA C 24 60.567 60.594 -0.027 1
1 290 . 15 1 1 A 24 24 ILE CB C 24 38.346 39.660 -1.314 1
1 294 . 15 1 1 A 24 24 ILE N N 24 127.789 128.081 -0.292 1
1 295 . 15 1 1 A 25 25 MET H H 25 9.857 9.228 0.629 1
1 296 . 15 1 1 A 25 25 MET HA H 25 6.017 5.201 0.816 1
1 304 . 15 1 1 A 25 25 MET C C 25 174.379 176.772 -2.393 1
1 305 . 15 1 1 A 25 25 MET CA C 25 54.898 54.492 0.406 1
1 306 . 15 1 1 A 25 25 MET CB C 25 40.260 36.013 4.247 1
1 309 . 15 1 1 A 25 25 MET N N 25 124.403 126.244 -1.841 1
1 310 . 15 1 1 A 26 26 THR H H 26 8.843 8.506 0.337 1
1 311 . 15 1 1 A 26 26 THR HA H 26 4.875 4.685 0.190 1
1 316 . 15 1 1 A 26 26 THR C C 26 170.849 174.237 -3.388 1
1 317 . 15 1 1 A 26 26 THR CA C 26 61.826 61.771 0.055 1
1 318 . 15 1 1 A 26 26 THR CB C 26 68.846 68.878 -0.032 1
1 320 . 15 1 1 A 26 26 THR N N 26 108.669 112.706 -4.037 1
1 321 . 15 1 1 A 27 27 THR H H 27 7.342 7.862 -0.520 1
1 322 . 15 1 1 A 27 27 THR HA H 27 4.618 4.913 -0.295 1
1 327 . 15 1 1 A 27 27 THR C C 27 166.898 173.130 -6.232 1
1 328 . 15 1 1 A 27 27 THR CA C 27 58.657 60.377 -1.720 1
1 329 . 15 1 1 A 27 27 THR CB C 27 69.696 71.232 -1.536 1
1 331 . 15 1 1 A 27 27 THR N N 27 114.866 115.115 -0.249 1
1 332 . 15 1 1 A 28 28 LYS H H 28 7.638 8.703 -1.065 1
1 333 . 15 1 1 A 28 28 LYS HA H 28 3.991 4.580 -0.589 1
1 342 . 15 1 1 A 28 28 LYS C C 28 173.190 176.345 -3.155 1
1 343 . 15 1 1 A 28 28 LYS CA C 28 55.731 56.245 -0.514 1
1 344 . 15 1 1 A 28 28 LYS CB C 28 32.790 32.622 0.168 1
1 348 . 15 1 1 A 28 28 LYS N N 28 121.283 124.202 -2.919 1
1 349 . 15 1 1 A 29 29 ASP H H 29 8.184 7.658 0.526 1
1 350 . 15 1 1 A 29 29 ASP HA H 29 4.401 4.866 -0.465 1
1 353 . 15 1 1 A 29 29 ASP C C 29 173.830 174.784 -0.954 1
1 354 . 15 1 1 A 29 29 ASP CA C 29 53.979 53.108 0.871 1
1 355 . 15 1 1 A 29 29 ASP CB C 29 40.730 41.580 -0.850 1
1 356 . 15 1 1 A 29 29 ASP N N 29 120.231 121.697 -1.466 1
1 357 . 15 1 1 A 30 30 THR H H 30 7.830 8.576 -0.746 1
1 358 . 15 1 1 A 30 30 THR HA H 30 3.742 4.609 -0.867 1
1 363 . 15 1 1 A 30 30 THR C C 30 172.987 174.057 -1.070 1
1 364 . 15 1 1 A 30 30 THR CA C 30 61.299 60.402 0.897 1
1 365 . 15 1 1 A 30 30 THR CB C 30 69.294 69.968 -0.674 1
1 367 . 15 1 1 A 30 30 THR N N 30 115.459 121.242 -5.783 1
1 368 . 15 1 1 A 31 31 SER H H 31 8.561 8.857 -0.296 1
1 369 . 15 1 1 A 31 31 SER HA H 31 3.875 4.410 -0.535 1
1 372 . 15 1 1 A 31 31 SER CA C 31 63.520 60.863 2.657 1
1 373 . 15 1 1 A 31 31 SER CB C 31 62.332 63.550 -1.218 1
1 374 . 15 1 1 A 31 31 SER N N 31 119.763 124.374 -4.611 1
1 375 . 15 1 1 A 32 32 THR HA H 32 3.961 4.027 -0.066 1
1 380 . 15 1 1 A 32 32 THR C C 32 173.850 176.304 -2.454 1
1 381 . 15 1 1 A 32 32 THR CA C 32 65.447 66.537 -1.090 1
1 382 . 15 1 1 A 32 32 THR CB C 32 68.715 68.340 0.375 1
1 384 . 15 1 1 A 33 33 LEU H H 33 7.209 7.995 -0.786 1
1 385 . 15 1 1 A 33 33 LEU HA H 33 3.950 3.932 0.018 1
1 395 . 15 1 1 A 33 33 LEU C C 33 174.505 178.547 -4.042 1
1 396 . 15 1 1 A 33 33 LEU CA C 33 57.653 58.239 -0.586 1
1 397 . 15 1 1 A 33 33 LEU CB C 33 42.210 41.393 0.817 1
1 401 . 15 1 1 A 33 33 LEU N N 33 125.158 122.064 3.094 1
1 402 . 15 1 1 A 34 34 LYS H H 34 8.671 7.902 0.769 1
1 403 . 15 1 1 A 34 34 LYS HA H 34 3.552 3.781 -0.229 1
1 412 . 15 1 1 A 34 34 LYS C C 34 174.794 179.219 -4.425 1
1 413 . 15 1 1 A 34 34 LYS CA C 34 61.226 59.664 1.562 1
1 414 . 15 1 1 A 34 34 LYS CB C 34 32.880 32.185 0.695 1
1 418 . 15 1 1 A 34 34 LYS N N 34 119.112 118.512 0.600 1
1 419 . 15 1 1 A 35 35 GLU H H 35 7.813 7.965 -0.152 1
1 420 . 15 1 1 A 35 35 GLU HA H 35 3.863 4.024 -0.161 1
1 425 . 15 1 1 A 35 35 GLU C C 35 176.222 179.167 -2.945 1
1 426 . 15 1 1 A 35 35 GLU CA C 35 59.721 59.119 0.602 1
1 427 . 15 1 1 A 35 35 GLU CB C 35 29.898 29.241 0.657 1
1 429 . 15 1 1 A 35 35 GLU N N 35 116.554 120.356 -3.802 1
1 430 . 15 1 1 A 36 36 LEU H H 36 7.153 7.784 -0.631 1
1 431 . 15 1 1 A 36 36 LEU HA H 36 4.175 3.949 0.226 1
1 441 . 15 1 1 A 36 36 LEU C C 36 177.281 178.866 -1.585 1
1 442 . 15 1 1 A 36 36 LEU CA C 36 58.018 57.960 0.058 1
1 443 . 15 1 1 A 36 36 LEU CB C 36 41.720 41.205 0.515 1
1 447 . 15 1 1 A 36 36 LEU N N 36 119.071 118.898 0.173 1
1 448 . 15 1 1 A 37 37 LEU H H 37 8.245 7.994 0.251 1
1 449 . 15 1 1 A 37 37 LEU HA H 37 3.749 4.122 -0.373 1
1 459 . 15 1 1 A 37 37 LEU C C 37 177.903 179.612 -1.709 1
1 460 . 15 1 1 A 37 37 LEU CA C 37 58.278 57.738 0.540 1
1 461 . 15 1 1 A 37 37 LEU CB C 37 39.600 40.469 -0.869 1
1 465 . 15 1 1 A 37 37 LEU N N 37 121.326 118.819 2.507 1
1 466 . 15 1 1 A 38 38 GLU H H 38 8.641 8.438 0.203 1
1 467 . 15 1 1 A 38 38 GLU HA H 38 4.320 4.120 0.200 1
1 472 . 15 1 1 A 38 38 GLU C C 38 177.074 179.230 -2.156 1
1 473 . 15 1 1 A 38 38 GLU CA C 38 59.619 59.349 0.270 1
1 474 . 15 1 1 A 38 38 GLU CB C 38 29.850 29.323 0.527 1
1 476 . 15 1 1 A 38 38 GLU N N 38 119.504 119.398 0.106 1
1 477 . 15 1 1 A 39 39 THR H H 39 7.653 7.629 0.024 1
1 478 . 15 1 1 A 39 39 THR HA H 39 4.097 3.976 0.121 1
1 483 . 15 1 1 A 39 39 THR C C 39 173.229 176.232 -3.003 1
1 484 . 15 1 1 A 39 39 THR CA C 39 65.080 65.488 -0.408 1
1 485 . 15 1 1 A 39 39 THR CB C 39 69.952 67.803 2.149 1
1 487 . 15 1 1 A 39 39 THR N N 39 110.838 112.928 -2.090 1
1 488 . 15 1 1 A 40 40 TYR H H 40 7.478 7.453 0.025 1
1 489 . 15 1 1 A 40 40 TYR HA H 40 4.073 4.595 -0.522 1
1 496 . 15 1 1 A 40 40 TYR C C 40 172.486 175.216 -2.730 1
1 497 . 15 1 1 A 40 40 TYR CA C 40 61.549 59.626 1.923 1
1 498 . 15 1 1 A 40 40 TYR CB C 40 37.140 38.775 -1.635 1
1 503 . 15 1 1 A 40 40 TYR N N 40 118.654 120.008 -1.354 1
1 504 . 15 1 1 A 41 41 GLN H H 41 7.901 7.699 0.202 1
1 505 . 15 1 1 A 41 41 GLN HA H 41 3.963 3.945 0.018 1
1 512 . 15 1 1 A 41 41 GLN C C 41 171.223 174.049 -2.826 1
1 513 . 15 1 1 A 41 41 GLN CA C 41 57.158 57.118 0.040 1
1 514 . 15 1 1 A 41 41 GLN CB C 41 27.330 26.375 0.955 1
1 516 . 15 1 1 A 41 41 GLN N N 41 116.315 116.400 -0.085 1
1 518 . 15 1 1 A 42 42 ARG H H 42 8.493 7.924 0.569 1
1 519 . 15 1 1 A 42 42 ARG HA H 42 5.052 5.008 0.044 1
1 527 . 15 1 1 A 42 42 ARG CA C 42 54.040 53.964 0.076 1
1 528 . 15 1 1 A 42 42 ARG CB C 42 30.650 31.782 -1.132 1
1 531 . 15 1 1 A 42 42 ARG N N 42 115.494 115.115 0.379 1
1 533 . 15 1 1 A 43 43 PRO HA H 43 4.390 4.543 -0.153 1
1 540 . 15 1 1 A 43 43 PRO C C 43 172.836 176.589 -3.753 1
1 541 . 15 1 1 A 43 43 PRO CA C 43 63.574 63.006 0.568 1
1 542 . 15 1 1 A 43 43 PRO CB C 43 32.500 32.509 -0.009 1
1 545 . 15 1 1 A 44 44 PHE H H 44 7.742 8.597 -0.855 1
1 546 . 15 1 1 A 44 44 PHE HA H 44 5.281 5.616 -0.335 1
1 554 . 15 1 1 A 44 44 PHE C C 44 170.840 172.242 -1.402 1
1 555 . 15 1 1 A 44 44 PHE CA C 44 56.174 55.809 0.365 1
1 556 . 15 1 1 A 44 44 PHE CB C 44 42.280 42.265 0.015 1
1 562 . 15 1 1 A 44 44 PHE N N 44 115.046 118.453 -3.407 1
1 563 . 15 1 1 A 45 45 LYS H H 45 8.944 9.362 -0.418 1
1 564 . 15 1 1 A 45 45 LYS HA H 45 4.641 4.955 -0.314 1
1 573 . 15 1 1 A 45 45 LYS C C 45 171.934 174.446 -2.512 1
1 574 . 15 1 1 A 45 45 LYS CA C 45 55.210 55.114 0.096 1
1 575 . 15 1 1 A 45 45 LYS CB C 45 35.600 34.455 1.145 1
1 579 . 15 1 1 A 45 45 LYS N N 45 121.090 120.911 0.179 1
1 580 . 15 1 1 A 46 46 LEU H H 46 8.897 9.135 -0.238 1
1 581 . 15 1 1 A 46 46 LEU HA H 46 5.332 5.617 -0.285 1
1 590 . 15 1 1 A 46 46 LEU C C 46 172.666 174.978 -2.312 1
1 591 . 15 1 1 A 46 46 LEU CA C 46 54.510 53.702 0.808 1
1 592 . 15 1 1 A 46 46 LEU CB C 46 44.620 44.595 0.025 1
1 595 . 15 1 1 A 46 46 LEU N N 46 128.615 129.438 -0.823 1
1 596 . 15 1 1 A 47 47 GLU H H 47 9.220 8.960 0.260 1
1 597 . 15 1 1 A 47 47 GLU HA H 47 4.911 5.088 -0.177 1
1 602 . 15 1 1 A 47 47 GLU C C 47 172.392 174.887 -2.495 1
1 603 . 15 1 1 A 47 47 GLU CA C 47 54.980 54.436 0.544 1
1 604 . 15 1 1 A 47 47 GLU CB C 47 34.490 33.327 1.163 1
1 606 . 15 1 1 A 47 47 GLU N N 47 125.300 126.170 -0.870 1
1 607 . 15 1 1 A 48 48 PHE H H 48 9.157 9.200 -0.043 1
1 608 . 15 1 1 A 48 48 PHE HA H 48 4.302 5.030 -0.728 1
1 616 . 15 1 1 A 48 48 PHE C C 48 171.971 174.572 -2.601 1
1 617 . 15 1 1 A 48 48 PHE CA C 48 58.240 57.195 1.045 1
1 618 . 15 1 1 A 48 48 PHE CB C 48 39.410 39.580 -0.170 1
1 624 . 15 1 1 A 48 48 PHE N N 48 126.911 124.316 2.595 1
1 625 . 15 1 1 A 49 49 LYS H H 49 8.256 8.597 -0.341 1
1 626 . 15 1 1 A 49 49 LYS HA H 49 4.176 4.194 -0.018 1
1 635 . 15 1 1 A 49 49 LYS C C 49 172.030 176.048 -4.018 1
1 636 . 15 1 1 A 49 49 LYS CA C 49 55.244 57.925 -2.681 1
1 637 . 15 1 1 A 49 49 LYS CB C 49 32.640 32.944 -0.304 1
1 641 . 15 1 1 A 49 49 LYS N N 49 127.526 128.034 -0.508 1
1 642 . 15 1 1 A 50 50 ASN H H 50 7.062 6.880 0.182 1
1 643 . 15 1 1 A 50 50 ASN HA H 50 4.353 4.870 -0.517 1
1 648 . 15 1 1 A 50 50 ASN C C 50 171.278 172.632 -1.354 1
1 649 . 15 1 1 A 50 50 ASN CA C 50 53.807 52.316 1.491 1
1 650 . 15 1 1 A 50 50 ASN CB C 50 40.460 41.539 -1.079 1
1 651 . 15 1 1 A 50 50 ASN N N 50 115.764 112.096 3.668 1
1 653 . 15 1 1 A 51 51 THR H H 51 8.217 8.674 -0.457 1
1 654 . 15 1 1 A 51 51 THR HA H 51 4.685 5.037 -0.352 1
1 659 . 15 1 1 A 51 51 THR C C 51 171.816 172.059 -0.243 1
1 660 . 15 1 1 A 51 51 THR CA C 51 61.243 59.994 1.249 1
1 661 . 15 1 1 A 51 51 THR CB C 51 70.632 72.156 -1.524 1
1 663 . 15 1 1 A 51 51 THR N N 51 114.341 115.727 -1.386 1
1 664 . 15 1 1 A 52 52 SER H H 52 8.314 8.539 -0.225 1
1 665 . 15 1 1 A 52 52 SER HA H 52 4.395 4.451 -0.056 1
1 668 . 15 1 1 A 52 52 SER CA C 52 58.470 58.701 -0.231 1
1 669 . 15 1 1 A 52 52 SER CB C 52 64.580 63.461 1.119 1
1 670 . 15 1 1 A 52 52 SER N N 52 118.503 121.100 -2.597 1
1 671 . 15 1 1 A 54 54 ASN HA H 54 4.484 4.720 -0.236 1
1 676 . 15 1 1 A 54 54 ASN C C 54 171.753 174.645 -2.892 1
1 677 . 15 1 1 A 54 54 ASN CA C 54 53.296 54.413 -1.117 1
1 678 . 15 1 1 A 54 54 ASN CB C 54 38.080 38.906 -0.826 1
1 680 . 15 1 1 A 55 55 ALA H H 55 7.927 8.142 -0.215 1
1 681 . 15 1 1 A 55 55 ALA HA H 55 3.759 4.055 -0.296 1
1 685 . 15 1 1 A 55 55 ALA C C 55 173.386 176.919 -3.533 1
1 686 . 15 1 1 A 55 55 ALA CA C 55 53.266 53.184 0.082 1
1 687 . 15 1 1 A 55 55 ALA CB C 55 18.180 17.525 0.655 1
1 688 . 15 1 1 A 55 55 ALA N N 55 120.429 120.483 -0.054 1
1 689 . 15 1 1 A 56 56 LYS H H 56 7.426 7.536 -0.110 1
1 690 . 15 1 1 A 56 56 LYS HA H 56 3.919 3.804 0.115 1
1 702 . 15 1 1 A 56 56 LYS C C 56 172.612 175.472 -2.860 1
1 703 . 15 1 1 A 56 56 LYS CA C 56 57.113 57.480 -0.367 1
1 704 . 15 1 1 A 56 56 LYS CB C 56 33.566 33.206 0.360 1
1 708 . 15 1 1 A 56 56 LYS N N 56 116.392 117.274 -0.882 1
1 710 . 15 1 1 A 57 57 PHE H H 57 7.253 7.604 -0.351 1
1 711 . 15 1 1 A 57 57 PHE HA H 57 5.062 5.004 0.058 1
1 719 . 15 1 1 A 57 57 PHE C C 57 171.527 173.715 -2.188 1
1 720 . 15 1 1 A 57 57 PHE CA C 57 54.920 56.106 -1.186 1
1 721 . 15 1 1 A 57 57 PHE CB C 57 41.910 41.403 0.507 1
1 727 . 15 1 1 A 57 57 PHE N N 57 113.835 116.548 -2.713 1
1 728 . 15 1 1 A 58 58 TYR H H 58 9.172 9.486 -0.314 1
1 729 . 15 1 1 A 58 58 TYR HA H 58 4.746 4.977 -0.231 1
1 736 . 15 1 1 A 58 58 TYR C C 58 171.294 174.760 -3.466 1
1 737 . 15 1 1 A 58 58 TYR CA C 58 57.770 56.401 1.369 1
1 738 . 15 1 1 A 58 58 TYR CB C 58 41.784 41.062 0.722 1
1 743 . 15 1 1 A 58 58 TYR N N 58 121.139 123.349 -2.210 1
1 744 . 15 1 1 A 59 59 SER H H 59 8.786 8.864 -0.078 1
1 745 . 15 1 1 A 59 59 SER HA H 59 5.399 5.163 0.236 1
1 748 . 15 1 1 A 59 59 SER C C 59 170.105 173.419 -3.314 1
1 749 . 15 1 1 A 59 59 SER CA C 59 57.650 58.036 -0.386 1
1 750 . 15 1 1 A 59 59 SER CB C 59 65.220 63.647 1.573 1
1 751 . 15 1 1 A 59 59 SER N N 59 118.511 120.100 -1.589 1
1 752 . 15 1 1 A 60 60 PHE H H 60 9.389 9.516 -0.127 1
1 753 . 15 1 1 A 60 60 PHE HA H 60 5.210 5.082 0.128 1
1 761 . 15 1 1 A 60 60 PHE C C 60 172.188 174.152 -1.964 1
1 762 . 15 1 1 A 60 60 PHE CA C 60 56.824 56.727 0.097 1
1 763 . 15 1 1 A 60 60 PHE CB C 60 43.645 42.539 1.106 1
1 769 . 15 1 1 A 60 60 PHE N N 60 121.864 125.986 -4.122 1
1 770 . 15 1 1 A 61 61 ASN H H 61 9.448 9.389 0.059 1
1 771 . 15 1 1 A 61 61 ASN HA H 61 5.564 5.734 -0.170 1
1 776 . 15 1 1 A 61 61 ASN C C 61 171.756 173.882 -2.126 1
1 777 . 15 1 1 A 61 61 ASN CA C 61 53.012 51.914 1.098 1
1 778 . 15 1 1 A 61 61 ASN CB C 61 42.580 42.338 0.242 1
1 779 . 15 1 1 A 61 61 ASN N N 61 121.107 119.145 1.962 1
1 781 . 15 1 1 A 62 62 VAL H H 62 9.361 8.799 0.562 1
1 782 . 15 1 1 A 62 62 VAL HA H 62 5.159 4.991 0.168 1
1 790 . 15 1 1 A 62 62 VAL C C 62 171.964 174.968 -3.004 1
1 791 . 15 1 1 A 62 62 VAL CA C 62 60.991 61.453 -0.462 1
1 792 . 15 1 1 A 62 62 VAL CB C 62 35.350 33.422 1.928 1
1 795 . 15 1 1 A 62 62 VAL N N 62 126.781 126.027 0.754 1
1 796 . 15 1 1 A 63 63 SER H H 63 8.750 9.134 -0.384 1
1 797 . 15 1 1 A 63 63 SER HA H 63 5.955 5.826 0.129 1
1 800 . 15 1 1 A 63 63 SER C C 63 171.905 173.434 -1.529 1
1 801 . 15 1 1 A 63 63 SER CA C 63 56.587 57.645 -1.058 1
1 802 . 15 1 1 A 63 63 SER CB C 63 65.231 64.865 0.366 1
1 803 . 15 1 1 A 63 63 SER N N 63 120.886 125.415 -4.529 1
1 804 . 15 1 1 A 64 64 MET H H 64 8.918 8.872 0.046 1
1 805 . 15 1 1 A 64 64 MET HA H 64 4.622 5.337 -0.715 1
1 813 . 15 1 1 A 64 64 MET C C 64 170.352 175.592 -5.240 1
1 814 . 15 1 1 A 64 64 MET CA C 64 55.950 53.757 2.193 1
1 815 . 15 1 1 A 64 64 MET CB C 64 38.000 35.885 2.115 1
1 818 . 15 1 1 A 64 64 MET N N 64 123.839 122.863 0.976 1
1 819 . 15 1 1 A 65 65 GLU H H 65 9.213 8.572 0.641 1
1 820 . 15 1 1 A 65 65 GLU HA H 65 4.740 4.857 -0.117 1
1 825 . 15 1 1 A 65 65 GLU C C 65 172.659 176.492 -3.833 1
1 826 . 15 1 1 A 65 65 GLU CA C 65 57.547 56.797 0.750 1
1 827 . 15 1 1 A 65 65 GLU CB C 65 31.100 30.104 0.996 1
1 829 . 15 1 1 A 65 65 GLU N N 65 125.938 121.155 4.783 1
1 830 . 15 1 1 A 66 66 VAL H H 66 9.031 9.008 0.023 1
1 831 . 15 1 1 A 66 66 VAL HA H 66 4.632 4.672 -0.040 1
1 839 . 15 1 1 A 66 66 VAL C C 66 174.252 176.400 -2.148 1
1 840 . 15 1 1 A 66 66 VAL CA C 66 59.454 60.977 -1.523 1
1 841 . 15 1 1 A 66 66 VAL CB C 66 35.450 33.490 1.960 1
1 844 . 15 1 1 A 66 66 VAL N N 66 117.398 122.487 -5.089 1
1 845 . 15 1 1 A 67 67 SER H H 67 9.309 8.904 0.405 1
1 846 . 15 1 1 A 67 67 SER HA H 67 4.185 4.357 -0.172 1
1 849 . 15 1 1 A 67 67 SER C C 67 170.646 174.932 -4.286 1
1 850 . 15 1 1 A 67 67 SER CA C 67 61.719 61.175 0.544 1
1 851 . 15 1 1 A 67 67 SER CB C 67 64.540 63.458 1.082 1
1 852 . 15 1 1 A 67 67 SER N N 67 116.754 121.074 -4.320 1
1 853 . 15 1 1 A 68 68 ASN H H 68 7.279 7.590 -0.311 1
1 854 . 15 1 1 A 68 68 ASN HA H 68 3.345 4.601 -1.256 1
1 859 . 15 1 1 A 68 68 ASN C C 68 170.781 175.096 -4.315 1
1 860 . 15 1 1 A 68 68 ASN CA C 68 51.758 52.117 -0.359 1
1 861 . 15 1 1 A 68 68 ASN CB C 68 38.809 38.801 0.008 1
1 862 . 15 1 1 A 68 68 ASN N N 68 110.062 115.281 -5.219 1
1 864 . 15 1 1 A 69 69 GLU H H 69 8.126 8.249 -0.123 1
1 865 . 15 1 1 A 69 69 GLU HA H 69 3.337 3.538 -0.201 1
1 870 . 15 1 1 A 69 69 GLU C C 69 174.537 177.485 -2.948 1
1 871 . 15 1 1 A 69 69 GLU CA C 69 59.749 59.190 0.559 1
1 872 . 15 1 1 A 69 69 GLU CB C 69 30.250 28.982 1.268 1
1 874 . 15 1 1 A 69 69 GLU N N 69 120.604 118.485 2.119 1
1 875 . 15 1 1 A 70 70 SER H H 70 7.981 7.759 0.222 1
1 876 . 15 1 1 A 70 70 SER HA H 70 4.030 4.006 0.024 1
1 879 . 15 1 1 A 70 70 SER C C 70 174.715 177.226 -2.511 1
1 880 . 15 1 1 A 70 70 SER CA C 70 62.097 61.615 0.482 1
1 881 . 15 1 1 A 70 70 SER CB C 70 62.350 62.876 -0.526 1
1 882 . 15 1 1 A 70 70 SER N N 70 114.770 114.281 0.489 1
1 883 . 15 1 1 A 71 71 GLU H H 71 8.572 7.372 1.200 1
1 884 . 15 1 1 A 71 71 GLU HA H 71 3.927 4.117 -0.190 1
1 889 . 15 1 1 A 71 71 GLU C C 71 174.769 179.470 -4.701 1
1 890 . 15 1 1 A 71 71 GLU CA C 71 59.849 59.325 0.524 1
1 891 . 15 1 1 A 71 71 GLU CB C 71 30.950 29.556 1.394 1
1 893 . 15 1 1 A 71 71 GLU N N 71 124.163 121.540 2.623 1
1 894 . 15 1 1 A 72 72 ARG H H 72 7.797 7.832 -0.035 1
1 895 . 15 1 1 A 72 72 ARG HA H 72 3.776 4.581 -0.805 1
1 900 . 15 1 1 A 72 72 ARG C C 72 177.552 178.423 -0.871 1
1 901 . 15 1 1 A 72 72 ARG CA C 72 58.680 57.905 0.775 1
1 902 . 15 1 1 A 72 72 ARG CB C 72 30.110 28.384 1.726 1
1 905 . 15 1 1 A 72 72 ARG N N 72 118.396 118.735 -0.339 1
1 906 . 15 1 1 A 73 73 ASN H H 73 8.175 7.695 0.480 1
1 907 . 15 1 1 A 73 73 ASN HA H 73 4.461 4.589 -0.128 1
1 912 . 15 1 1 A 73 73 ASN C C 73 174.089 177.872 -3.783 1
1 913 . 15 1 1 A 73 73 ASN CA C 73 55.500 55.228 0.272 1
1 914 . 15 1 1 A 73 73 ASN CB C 73 37.844 38.750 -0.906 1
1 915 . 15 1 1 A 73 73 ASN N N 73 118.156 117.278 0.878 1
1 917 . 15 1 1 A 74 74 GLU H H 74 8.473 8.107 0.366 1
1 918 . 15 1 1 A 74 74 GLU HA H 74 3.954 4.141 -0.187 1
1 923 . 15 1 1 A 74 74 GLU C C 74 175.719 179.325 -3.606 1
1 924 . 15 1 1 A 74 74 GLU CA C 74 60.093 59.321 0.772 1
1 925 . 15 1 1 A 74 74 GLU CB C 74 30.460 29.310 1.150 1
1 927 . 15 1 1 A 74 74 GLU N N 74 124.825 117.626 7.199 1
1 928 . 15 1 1 A 75 75 ILE H H 75 8.273 8.064 0.209 1
1 929 . 15 1 1 A 75 75 ILE HA H 75 3.229 3.713 -0.484 1
1 939 . 15 1 1 A 75 75 ILE C C 75 174.591 178.026 -3.435 1
1 940 . 15 1 1 A 75 75 ILE CA C 75 66.460 65.209 1.251 1
1 941 . 15 1 1 A 75 75 ILE CB C 75 38.262 37.622 0.640 1
1 945 . 15 1 1 A 75 75 ILE N N 75 120.282 121.867 -1.585 1
1 946 . 15 1 1 A 76 76 PHE H H 76 7.233 8.524 -1.291 1
1 947 . 15 1 1 A 76 76 PHE HA H 76 3.600 4.104 -0.504 1
1 955 . 15 1 1 A 76 76 PHE C C 76 175.036 177.844 -2.808 1
1 956 . 15 1 1 A 76 76 PHE CA C 76 62.227 61.406 0.821 1
1 957 . 15 1 1 A 76 76 PHE CB C 76 40.170 39.751 0.419 1
1 963 . 15 1 1 A 76 76 PHE N N 76 117.265 120.857 -3.592 1
1 964 . 15 1 1 A 77 77 GLN H H 77 8.262 7.902 0.360 1
1 965 . 15 1 1 A 77 77 GLN HA H 77 3.753 3.883 -0.130 1
1 972 . 15 1 1 A 77 77 GLN C C 77 176.132 178.756 -2.624 1
1 973 . 15 1 1 A 77 77 GLN CA C 77 59.113 59.386 -0.273 1
1 974 . 15 1 1 A 77 77 GLN CB C 77 28.487 28.306 0.181 1
1 976 . 15 1 1 A 77 77 GLN N N 77 118.919 118.417 0.502 1
1 978 . 15 1 1 A 78 78 LYS H H 78 8.508 7.576 0.932 1
1 979 . 15 1 1 A 78 78 LYS HA H 78 3.804 4.076 -0.272 1
1 988 . 15 1 1 A 78 78 LYS C C 78 177.438 179.387 -1.949 1
1 989 . 15 1 1 A 78 78 LYS CA C 78 60.107 59.679 0.428 1
1 990 . 15 1 1 A 78 78 LYS CB C 78 33.160 32.554 0.606 1
1 994 . 15 1 1 A 78 78 LYS N N 78 119.345 119.636 -0.291 1
1 995 . 15 1 1 A 79 79 ILE H H 79 8.395 7.821 0.574 1
1 996 . 15 1 1 A 79 79 ILE HA H 79 3.182 3.704 -0.522 1
1 1006 . 15 1 1 A 79 79 ILE C C 79 174.721 177.179 -2.458 1
1 1007 . 15 1 1 A 79 79 ILE CA C 79 66.280 65.005 1.275 1
1 1008 . 15 1 1 A 79 79 ILE CB C 79 38.360 37.332 1.028 1
1 1012 . 15 1 1 A 79 79 ILE N N 79 120.117 120.659 -0.542 1
1 1013 . 15 1 1 A 80 80 SER H H 80 7.459 7.657 -0.198 1
1 1014 . 15 1 1 A 80 80 SER HA H 80 3.868 4.106 -0.238 1
1 1017 . 15 1 1 A 80 80 SER C C 80 171.998 175.855 -3.857 1
1 1018 . 15 1 1 A 80 80 SER CA C 80 61.444 60.841 0.603 1
1 1019 . 15 1 1 A 80 80 SER CB C 80 63.500 62.907 0.593 1
1 1020 . 15 1 1 A 80 80 SER N N 80 110.857 116.949 -6.092 1
1 1021 . 15 1 1 A 81 81 GLN H H 81 7.095 7.775 -0.680 1
1 1022 . 15 1 1 A 81 81 GLN HA H 81 4.143 4.244 -0.101 1
1 1029 . 15 1 1 A 81 81 GLN C C 81 173.743 176.776 -3.033 1
1 1030 . 15 1 1 A 81 81 GLN CA C 81 55.894 56.884 -0.990 1
1 1031 . 15 1 1 A 81 81 GLN CB C 81 29.390 28.285 1.105 1
1 1033 . 15 1 1 A 81 81 GLN N N 81 117.056 119.110 -2.054 1
1 1035 . 15 1 1 A 82 82 LEU H H 82 7.495 7.595 -0.100 1
1 1036 . 15 1 1 A 82 82 LEU HA H 82 4.064 4.201 -0.137 1
1 1046 . 15 1 1 A 82 82 LEU C C 82 175.685 176.410 -0.725 1
1 1047 . 15 1 1 A 82 82 LEU CA C 82 55.730 55.265 0.465 1
1 1048 . 15 1 1 A 82 82 LEU CB C 82 41.740 42.438 -0.698 1
1 1052 . 15 1 1 A 82 82 LEU N N 82 123.191 118.908 4.283 1
1 1053 . 15 1 1 A 83 83 ASP H H 83 8.330 7.780 0.550 1
1 1054 . 15 1 1 A 83 83 ASP HA H 83 4.260 4.538 -0.278 1
1 1057 . 15 1 1 A 83 83 ASP C C 83 174.543 176.747 -2.204 1
1 1058 . 15 1 1 A 83 83 ASP CA C 83 57.056 55.776 1.280 1
1 1059 . 15 1 1 A 83 83 ASP CB C 83 41.590 40.599 0.991 1
1 1060 . 15 1 1 A 83 83 ASP N N 83 122.600 118.865 3.735 1
1 1061 . 15 1 1 A 84 84 LYS H H 84 8.152 8.062 0.090 1
1 1062 . 15 1 1 A 84 84 LYS HA H 84 4.060 4.328 -0.268 1
1 1071 . 15 1 1 A 84 84 LYS C C 84 172.461 175.701 -3.240 1
1 1072 . 15 1 1 A 84 84 LYS CA C 84 57.301 56.600 0.701 1
1 1073 . 15 1 1 A 84 84 LYS CB C 84 31.140 32.835 -1.695 1
1 1077 . 15 1 1 A 84 84 LYS N N 84 113.797 116.081 -2.284 1
1 1078 . 15 1 1 A 85 85 VAL H H 85 7.290 7.545 -0.255 1
1 1079 . 15 1 1 A 85 85 VAL HA H 85 4.230 4.511 -0.281 1
1 1087 . 15 1 1 A 85 85 VAL C C 85 173.934 176.199 -2.265 1
1 1088 . 15 1 1 A 85 85 VAL CA C 85 63.300 60.121 3.179 1
1 1089 . 15 1 1 A 85 85 VAL CB C 85 32.320 33.769 -1.449 1
1 1092 . 15 1 1 A 85 85 VAL N N 85 118.733 121.046 -2.313 1
1 1093 . 15 1 1 A 86 86 VAL H H 86 9.093 8.968 0.125 1
1 1094 . 15 1 1 A 86 86 VAL HA H 86 4.165 4.393 -0.228 1
1 1102 . 15 1 1 A 86 86 VAL C C 86 173.235 175.758 -2.523 1
1 1103 . 15 1 1 A 86 86 VAL CA C 86 62.144 62.371 -0.227 1
1 1104 . 15 1 1 A 86 86 VAL CB C 86 33.397 33.087 0.310 1
1 1107 . 15 1 1 A 86 86 VAL N N 86 125.341 123.852 1.489 1
1 1108 . 15 1 1 A 87 87 GLN H H 87 7.727 7.556 0.171 1
1 1109 . 15 1 1 A 87 87 GLN HA H 87 4.437 4.966 -0.529 1
1 1114 . 15 1 1 A 87 87 GLN C C 87 170.954 174.207 -3.253 1
1 1115 . 15 1 1 A 87 87 GLN CA C 87 56.370 55.080 1.290 1
1 1116 . 15 1 1 A 87 87 GLN CB C 87 32.420 32.164 0.256 1
1 1118 . 15 1 1 A 87 87 GLN N N 87 119.469 120.038 -0.569 1
1 1119 . 15 1 1 A 88 88 THR H H 88 8.087 8.873 -0.786 1
1 1120 . 15 1 1 A 88 88 THR HA H 88 4.857 5.423 -0.566 1
1 1125 . 15 1 1 A 88 88 THR CA C 88 61.850 60.630 1.220 1
1 1126 . 15 1 1 A 88 88 THR CB C 88 69.900 70.942 -1.042 1
1 1128 . 15 1 1 A 88 88 THR N N 88 119.679 115.839 3.840 1
1 1129 . 15 1 1 A 89 89 LEU HA H 89 4.851 5.435 -0.584 1
1 1139 . 15 1 1 A 89 89 LEU C C 89 174.211 176.750 -2.539 1
1 1140 . 15 1 1 A 89 89 LEU CA C 89 54.590 53.248 1.342 1
1 1141 . 15 1 1 A 89 89 LEU CB C 89 44.176 44.669 -0.493 1
1 1145 . 15 1 1 A 90 90 GLY H H 90 8.697 8.565 0.132 1
1 1146 . 15 1 1 A 90 90 GLY HA2 H 90 4.181 4.281 -0.100 1
1 1147 . 15 1 1 A 90 90 GLY HA3 H 90 4.267 4.315 -0.048 1
1 1148 . 15 1 1 A 90 90 GLY C C 90 170.516 174.141 -3.625 1
1 1149 . 15 1 1 A 90 90 GLY CA C 90 45.810 45.925 -0.115 1
1 1150 . 15 1 1 A 90 90 GLY N N 90 109.859 113.172 -3.313 1
1 1 . 16 1 1 A 2 2 GLY HA2 H 2 3.721 3.885 -0.164 1
1 2 . 16 1 1 A 2 2 GLY HA3 H 2 3.721 3.886 -0.165 1
1 3 . 16 1 1 A 2 2 GLY CA C 2 43.440 46.645 -3.205 1
1 4 . 16 1 1 A 3 3 HIS HA H 3 4.602 4.838 -0.236 1
1 9 . 16 1 1 A 3 3 HIS C C 3 172.383 174.522 -2.139 1
1 10 . 16 1 1 A 3 3 HIS CA C 3 56.270 54.858 1.412 1
1 11 . 16 1 1 A 3 3 HIS CB C 3 30.850 31.139 -0.289 1
1 14 . 16 1 1 A 4 4 MET H H 4 8.397 8.511 -0.114 1
1 15 . 16 1 1 A 4 4 MET HA H 4 4.720 4.637 0.083 1
1 23 . 16 1 1 A 4 4 MET CA C 4 53.410 54.732 -1.322 1
1 24 . 16 1 1 A 4 4 MET CB C 4 32.550 31.974 0.576 1
1 27 . 16 1 1 A 4 4 MET N N 4 123.715 126.987 -3.272 1
1 28 . 16 1 1 A 5 5 PRO HA H 5 4.340 4.513 -0.173 1
1 35 . 16 1 1 A 5 5 PRO C C 5 174.369 176.965 -2.596 1
1 36 . 16 1 1 A 5 5 PRO CA C 5 63.686 62.961 0.725 1
1 37 . 16 1 1 A 5 5 PRO CB C 5 32.430 31.430 1.000 1
1 40 . 16 1 1 A 6 6 SER H H 6 8.337 8.586 -0.249 1
1 41 . 16 1 1 A 6 6 SER HA H 6 4.299 4.466 -0.167 1
1 44 . 16 1 1 A 6 6 SER C C 6 171.770 174.500 -2.730 1
1 45 . 16 1 1 A 6 6 SER CA C 6 58.800 59.791 -0.991 1
1 46 . 16 1 1 A 6 6 SER CB C 6 63.896 64.064 -0.168 1
1 47 . 16 1 1 A 6 6 SER N N 6 115.479 118.085 -2.606 1
1 48 . 16 1 1 A 7 7 ASP H H 7 8.269 7.878 0.391 1
1 49 . 16 1 1 A 7 7 ASP HA H 7 4.545 5.149 -0.604 1
1 52 . 16 1 1 A 7 7 ASP C C 7 173.646 175.315 -1.669 1
1 53 . 16 1 1 A 7 7 ASP CA C 7 54.571 52.728 1.843 1
1 54 . 16 1 1 A 7 7 ASP CB C 7 41.353 43.088 -1.735 1
1 55 . 16 1 1 A 7 7 ASP N N 7 122.367 119.422 2.945 1
1 56 . 16 1 1 A 8 8 SER H H 8 8.126 8.688 -0.562 1
1 57 . 16 1 1 A 8 8 SER HA H 8 4.337 4.790 -0.453 1
1 60 . 16 1 1 A 8 8 SER C C 8 171.792 174.391 -2.599 1
1 61 . 16 1 1 A 8 8 SER CA C 8 58.950 58.231 0.719 1
1 62 . 16 1 1 A 8 8 SER CB C 8 64.140 64.072 0.068 1
1 63 . 16 1 1 A 8 8 SER N N 8 116.038 120.031 -3.993 1
1 64 . 16 1 1 A 9 9 LYS H H 9 8.400 8.546 -0.146 1
1 65 . 16 1 1 A 9 9 LYS HA H 9 4.225 4.472 -0.247 1
1 74 . 16 1 1 A 9 9 LYS C C 9 173.626 176.842 -3.216 1
1 75 . 16 1 1 A 9 9 LYS CA C 9 56.391 55.789 0.602 1
1 76 . 16 1 1 A 9 9 LYS CB C 9 32.970 33.530 -0.560 1
1 80 . 16 1 1 A 9 9 LYS N N 9 122.400 123.717 -1.317 1
1 81 . 16 1 1 A 10 10 LYS H H 10 8.180 8.659 -0.479 1
1 82 . 16 1 1 A 10 10 LYS HA H 10 4.493 4.415 0.078 1
1 91 . 16 1 1 A 10 10 LYS CA C 10 54.500 57.884 -3.384 1
1 92 . 16 1 1 A 10 10 LYS CB C 10 32.750 31.548 1.202 1
1 96 . 16 1 1 A 10 10 LYS N N 10 123.900 118.192 5.708 1
1 97 . 16 1 1 A 11 11 PRO HA H 11 4.404 4.578 -0.174 1
1 104 . 16 1 1 A 11 11 PRO C C 11 174.099 176.077 -1.978 1
1 105 . 16 1 1 A 11 11 PRO CA C 11 63.451 62.507 0.944 1
1 106 . 16 1 1 A 11 11 PRO CB C 11 32.405 32.504 -0.099 1
1 109 . 16 1 1 A 12 12 THR H H 12 8.277 8.401 -0.124 1
1 110 . 16 1 1 A 12 12 THR HA H 12 4.156 4.611 -0.455 1
1 115 . 16 1 1 A 12 12 THR C C 12 171.255 174.340 -3.085 1
1 116 . 16 1 1 A 12 12 THR CA C 12 62.829 62.143 0.686 1
1 117 . 16 1 1 A 12 12 THR CB C 12 70.113 69.389 0.724 1
1 119 . 16 1 1 A 12 12 THR N N 12 116.775 118.167 -1.392 1
1 120 . 16 1 1 A 13 13 ILE H H 13 8.141 8.841 -0.700 1
1 121 . 16 1 1 A 13 13 ILE HA H 13 3.880 4.178 -0.298 1
1 131 . 16 1 1 A 13 13 ILE C C 13 171.936 175.978 -4.042 1
1 132 . 16 1 1 A 13 13 ILE CA C 13 61.000 61.139 -0.139 1
1 133 . 16 1 1 A 13 13 ILE CB C 13 38.957 38.141 0.816 1
1 137 . 16 1 1 A 13 13 ILE N N 13 126.554 127.809 -1.255 1
1 138 . 16 1 1 A 14 14 ILE H H 14 7.890 8.435 -0.545 1
1 139 . 16 1 1 A 14 14 ILE HA H 14 4.045 4.474 -0.429 1
1 149 . 16 1 1 A 14 14 ILE C C 14 171.624 174.780 -3.156 1
1 150 . 16 1 1 A 14 14 ILE CA C 14 60.132 61.128 -0.996 1
1 151 . 16 1 1 A 14 14 ILE CB C 14 38.760 37.913 0.847 1
1 155 . 16 1 1 A 14 14 ILE N N 14 127.503 127.840 -0.337 1
1 156 . 16 1 1 A 15 15 TYR H H 15 8.185 8.795 -0.610 1
1 165 . 16 1 1 A 15 15 TYR N N 15 123.664 125.147 -1.483 1
1 166 . 16 1 1 A 16 16 PRO HA H 16 5.087 5.348 -0.261 1
1 173 . 16 1 1 A 16 16 PRO C C 16 172.702 174.920 -2.218 1
1 174 . 16 1 1 A 16 16 PRO CA C 16 62.891 62.790 0.101 1
1 175 . 16 1 1 A 16 16 PRO CB C 16 36.288 32.481 3.807 1
1 178 . 16 1 1 A 17 17 CYS H H 17 8.579 8.750 -0.171 1
1 179 . 16 1 1 A 17 17 CYS HA H 17 4.924 4.908 0.016 1
1 182 . 16 1 1 A 17 17 CYS C C 17 169.725 173.564 -3.839 1
1 183 . 16 1 1 A 17 17 CYS CA C 17 55.925 57.776 -1.851 1
1 184 . 16 1 1 A 17 17 CYS CB C 17 31.200 31.884 -0.684 1
1 185 . 16 1 1 A 17 17 CYS N N 17 114.797 119.671 -4.874 1
1 186 . 16 1 1 A 18 18 LEU H H 18 8.449 8.611 -0.162 1
1 187 . 16 1 1 A 18 18 LEU HA H 18 4.336 4.912 -0.576 1
1 197 . 16 1 1 A 18 18 LEU C C 18 172.529 176.004 -3.475 1
1 198 . 16 1 1 A 18 18 LEU CA C 18 55.600 54.533 1.067 1
1 199 . 16 1 1 A 18 18 LEU CB C 18 42.550 42.168 0.382 1
1 203 . 16 1 1 A 18 18 LEU N N 18 122.242 123.202 -0.960 1
1 204 . 16 1 1 A 19 19 TRP H H 19 9.079 9.161 -0.082 1
1 205 . 16 1 1 A 19 19 TRP HA H 19 4.300 5.240 -0.940 1
1 214 . 16 1 1 A 19 19 TRP C C 19 170.195 174.253 -4.058 1
1 215 . 16 1 1 A 19 19 TRP CA C 19 56.750 55.299 1.451 1
1 216 . 16 1 1 A 19 19 TRP CB C 19 33.935 33.053 0.882 1
1 222 . 16 1 1 A 19 19 TRP N N 19 130.082 127.139 2.943 1
1 224 . 16 1 1 A 20 20 ASP H H 20 6.314 8.171 -1.857 1
1 225 . 16 1 1 A 20 20 ASP HA H 20 5.559 5.075 0.484 1
1 228 . 16 1 1 A 20 20 ASP C C 20 172.285 174.214 -1.929 1
1 229 . 16 1 1 A 20 20 ASP CA C 20 52.900 52.510 0.390 1
1 230 . 16 1 1 A 20 20 ASP CB C 20 43.450 42.576 0.874 1
1 231 . 16 1 1 A 20 20 ASP N N 20 122.801 128.443 -5.642 1
1 232 . 16 1 1 A 21 21 TYR H H 21 9.519 9.633 -0.114 1
1 233 . 16 1 1 A 21 21 TYR HA H 21 4.975 5.328 -0.353 1
1 240 . 16 1 1 A 21 21 TYR C C 21 172.202 174.721 -2.519 1
1 241 . 16 1 1 A 21 21 TYR CA C 21 56.910 56.759 0.151 1
1 242 . 16 1 1 A 21 21 TYR CB C 21 40.850 40.660 0.190 1
1 247 . 16 1 1 A 21 21 TYR N N 21 120.749 126.575 -5.826 1
1 248 . 16 1 1 A 22 22 ARG H H 22 8.758 9.140 -0.382 1
1 249 . 16 1 1 A 22 22 ARG HA H 22 5.189 4.928 0.261 1
1 256 . 16 1 1 A 22 22 ARG C C 22 172.210 175.033 -2.823 1
1 257 . 16 1 1 A 22 22 ARG CA C 22 55.180 55.437 -0.257 1
1 258 . 16 1 1 A 22 22 ARG CB C 22 31.360 31.600 -0.240 1
1 261 . 16 1 1 A 22 22 ARG N N 22 124.405 125.735 -1.330 1
1 262 . 16 1 1 A 23 23 VAL H H 23 9.170 9.239 -0.069 1
1 263 . 16 1 1 A 23 23 VAL HA H 23 4.591 4.861 -0.270 1
1 271 . 16 1 1 A 23 23 VAL C C 23 171.354 174.912 -3.558 1
1 272 . 16 1 1 A 23 23 VAL CA C 23 61.836 61.601 0.235 1
1 273 . 16 1 1 A 23 23 VAL CB C 23 35.725 33.186 2.539 1
1 276 . 16 1 1 A 23 23 VAL N N 23 125.900 127.714 -1.814 1
1 277 . 16 1 1 A 24 24 ILE H H 24 8.919 9.221 -0.302 1
1 278 . 16 1 1 A 24 24 ILE HA H 24 5.119 5.322 -0.203 1
1 288 . 16 1 1 A 24 24 ILE C C 24 173.492 175.435 -1.943 1
1 289 . 16 1 1 A 24 24 ILE CA C 24 60.567 60.229 0.338 1
1 290 . 16 1 1 A 24 24 ILE CB C 24 38.346 38.739 -0.393 1
1 294 . 16 1 1 A 24 24 ILE N N 24 127.789 129.694 -1.905 1
1 295 . 16 1 1 A 25 25 MET H H 25 9.857 9.234 0.623 1
1 296 . 16 1 1 A 25 25 MET HA H 25 6.017 5.530 0.487 1
1 304 . 16 1 1 A 25 25 MET C C 25 174.379 176.552 -2.173 1
1 305 . 16 1 1 A 25 25 MET CA C 25 54.898 54.012 0.886 1
1 306 . 16 1 1 A 25 25 MET CB C 25 40.260 37.423 2.837 1
1 309 . 16 1 1 A 25 25 MET N N 25 124.403 125.461 -1.058 1
1 310 . 16 1 1 A 26 26 THR H H 26 8.843 8.652 0.191 1
1 311 . 16 1 1 A 26 26 THR HA H 26 4.875 4.766 0.109 1
1 316 . 16 1 1 A 26 26 THR C C 26 170.849 174.008 -3.159 1
1 317 . 16 1 1 A 26 26 THR CA C 26 61.826 61.803 0.023 1
1 318 . 16 1 1 A 26 26 THR CB C 26 68.846 68.977 -0.131 1
1 320 . 16 1 1 A 26 26 THR N N 26 108.669 112.518 -3.849 1
1 321 . 16 1 1 A 27 27 THR H H 27 7.342 7.734 -0.392 1
1 322 . 16 1 1 A 27 27 THR HA H 27 4.618 4.789 -0.171 1
1 327 . 16 1 1 A 27 27 THR C C 27 166.898 173.211 -6.313 1
1 328 . 16 1 1 A 27 27 THR CA C 27 58.657 60.012 -1.355 1
1 329 . 16 1 1 A 27 27 THR CB C 27 69.696 71.083 -1.387 1
1 331 . 16 1 1 A 27 27 THR N N 27 114.866 114.834 0.032 1
1 332 . 16 1 1 A 28 28 LYS H H 28 7.638 8.638 -1.000 1
1 333 . 16 1 1 A 28 28 LYS HA H 28 3.991 4.308 -0.317 1
1 342 . 16 1 1 A 28 28 LYS C C 28 173.190 176.664 -3.474 1
1 343 . 16 1 1 A 28 28 LYS CA C 28 55.731 56.808 -1.077 1
1 344 . 16 1 1 A 28 28 LYS CB C 28 32.790 32.413 0.377 1
1 348 . 16 1 1 A 28 28 LYS N N 28 121.283 124.179 -2.896 1
1 349 . 16 1 1 A 29 29 ASP H H 29 8.184 7.743 0.441 1
1 350 . 16 1 1 A 29 29 ASP HA H 29 4.401 4.578 -0.177 1
1 353 . 16 1 1 A 29 29 ASP C C 29 173.830 174.747 -0.917 1
1 354 . 16 1 1 A 29 29 ASP CA C 29 53.979 53.433 0.546 1
1 355 . 16 1 1 A 29 29 ASP CB C 29 40.730 40.211 0.519 1
1 356 . 16 1 1 A 29 29 ASP N N 29 120.231 121.233 -1.002 1
1 357 . 16 1 1 A 30 30 THR H H 30 7.830 8.434 -0.604 1
1 358 . 16 1 1 A 30 30 THR HA H 30 3.742 4.615 -0.873 1
1 363 . 16 1 1 A 30 30 THR C C 30 172.987 173.227 -0.240 1
1 364 . 16 1 1 A 30 30 THR CA C 30 61.299 60.148 1.151 1
1 365 . 16 1 1 A 30 30 THR CB C 30 69.294 68.294 1.000 1
1 367 . 16 1 1 A 30 30 THR N N 30 115.459 120.871 -5.412 1
1 368 . 16 1 1 A 31 31 SER H H 31 8.561 8.602 -0.041 1
1 369 . 16 1 1 A 31 31 SER HA H 31 3.875 4.650 -0.775 1
1 372 . 16 1 1 A 31 31 SER CA C 31 63.520 59.787 3.733 1
1 373 . 16 1 1 A 31 31 SER CB C 31 62.332 64.562 -2.230 1
1 374 . 16 1 1 A 31 31 SER N N 31 119.763 124.535 -4.772 1
1 375 . 16 1 1 A 32 32 THR HA H 32 3.961 3.922 0.039 1
1 380 . 16 1 1 A 32 32 THR C C 32 173.850 175.955 -2.105 1
1 381 . 16 1 1 A 32 32 THR CA C 32 65.447 66.858 -1.411 1
1 382 . 16 1 1 A 32 32 THR CB C 32 68.715 68.693 0.022 1
1 384 . 16 1 1 A 33 33 LEU H H 33 7.209 8.014 -0.805 1
1 385 . 16 1 1 A 33 33 LEU HA H 33 3.950 3.877 0.073 1
1 395 . 16 1 1 A 33 33 LEU C C 33 174.505 178.564 -4.059 1
1 396 . 16 1 1 A 33 33 LEU CA C 33 57.653 58.216 -0.563 1
1 397 . 16 1 1 A 33 33 LEU CB C 33 42.210 41.402 0.808 1
1 401 . 16 1 1 A 33 33 LEU N N 33 125.158 121.523 3.635 1
1 402 . 16 1 1 A 34 34 LYS H H 34 8.671 8.004 0.667 1
1 403 . 16 1 1 A 34 34 LYS HA H 34 3.552 3.644 -0.092 1
1 412 . 16 1 1 A 34 34 LYS C C 34 174.794 179.112 -4.318 1
1 413 . 16 1 1 A 34 34 LYS CA C 34 61.226 59.538 1.688 1
1 414 . 16 1 1 A 34 34 LYS CB C 34 32.880 32.237 0.643 1
1 418 . 16 1 1 A 34 34 LYS N N 34 119.112 118.376 0.736 1
1 419 . 16 1 1 A 35 35 GLU H H 35 7.813 7.917 -0.104 1
1 420 . 16 1 1 A 35 35 GLU HA H 35 3.863 3.999 -0.136 1
1 425 . 16 1 1 A 35 35 GLU C C 35 176.222 179.049 -2.827 1
1 426 . 16 1 1 A 35 35 GLU CA C 35 59.721 59.009 0.712 1
1 427 . 16 1 1 A 35 35 GLU CB C 35 29.898 29.202 0.696 1
1 429 . 16 1 1 A 35 35 GLU N N 35 116.554 120.227 -3.673 1
1 430 . 16 1 1 A 36 36 LEU H H 36 7.153 7.602 -0.449 1
1 431 . 16 1 1 A 36 36 LEU HA H 36 4.175 3.870 0.305 1
1 441 . 16 1 1 A 36 36 LEU C C 36 177.281 178.984 -1.703 1
1 442 . 16 1 1 A 36 36 LEU CA C 36 58.018 57.785 0.233 1
1 443 . 16 1 1 A 36 36 LEU CB C 36 41.720 41.235 0.485 1
1 447 . 16 1 1 A 36 36 LEU N N 36 119.071 118.799 0.272 1
1 448 . 16 1 1 A 37 37 LEU H H 37 8.245 7.991 0.254 1
1 449 . 16 1 1 A 37 37 LEU HA H 37 3.749 4.057 -0.308 1
1 459 . 16 1 1 A 37 37 LEU C C 37 177.903 179.644 -1.741 1
1 460 . 16 1 1 A 37 37 LEU CA C 37 58.278 58.287 -0.009 1
1 461 . 16 1 1 A 37 37 LEU CB C 37 39.600 40.136 -0.536 1
1 465 . 16 1 1 A 37 37 LEU N N 37 121.326 118.901 2.425 1
1 466 . 16 1 1 A 38 38 GLU H H 38 8.641 8.261 0.380 1
1 467 . 16 1 1 A 38 38 GLU HA H 38 4.320 4.260 0.060 1
1 472 . 16 1 1 A 38 38 GLU C C 38 177.074 179.348 -2.274 1
1 473 . 16 1 1 A 38 38 GLU CA C 38 59.619 59.513 0.106 1
1 474 . 16 1 1 A 38 38 GLU CB C 38 29.850 28.807 1.043 1
1 476 . 16 1 1 A 38 38 GLU N N 38 119.504 118.733 0.771 1
1 477 . 16 1 1 A 39 39 THR H H 39 7.653 7.613 0.040 1
1 478 . 16 1 1 A 39 39 THR HA H 39 4.097 4.066 0.031 1
1 483 . 16 1 1 A 39 39 THR C C 39 173.229 175.231 -2.002 1
1 484 . 16 1 1 A 39 39 THR CA C 39 65.080 64.748 0.332 1
1 485 . 16 1 1 A 39 39 THR CB C 39 69.952 68.358 1.594 1
1 487 . 16 1 1 A 39 39 THR N N 39 110.838 113.105 -2.267 1
1 488 . 16 1 1 A 40 40 TYR H H 40 7.478 7.265 0.213 1
1 489 . 16 1 1 A 40 40 TYR HA H 40 4.073 4.673 -0.600 1
1 496 . 16 1 1 A 40 40 TYR C C 40 172.486 174.989 -2.503 1
1 497 . 16 1 1 A 40 40 TYR CA C 40 61.549 57.250 4.299 1
1 498 . 16 1 1 A 40 40 TYR CB C 40 37.140 38.378 -1.238 1
1 503 . 16 1 1 A 40 40 TYR N N 40 118.654 120.048 -1.394 1
1 504 . 16 1 1 A 41 41 GLN H H 41 7.901 8.094 -0.193 1
1 505 . 16 1 1 A 41 41 GLN HA H 41 3.963 3.906 0.057 1
1 512 . 16 1 1 A 41 41 GLN C C 41 171.223 174.229 -3.006 1
1 513 . 16 1 1 A 41 41 GLN CA C 41 57.158 57.155 0.003 1
1 514 . 16 1 1 A 41 41 GLN CB C 41 27.330 26.308 1.022 1
1 516 . 16 1 1 A 41 41 GLN N N 41 116.315 116.096 0.219 1
1 518 . 16 1 1 A 42 42 ARG H H 42 8.493 7.779 0.714 1
1 519 . 16 1 1 A 42 42 ARG HA H 42 5.052 5.036 0.016 1
1 527 . 16 1 1 A 42 42 ARG CA C 42 54.040 53.697 0.343 1
1 528 . 16 1 1 A 42 42 ARG CB C 42 30.650 32.757 -2.107 1
1 531 . 16 1 1 A 42 42 ARG N N 42 115.494 115.079 0.415 1
1 533 . 16 1 1 A 43 43 PRO HA H 43 4.390 4.871 -0.481 1
1 540 . 16 1 1 A 43 43 PRO C C 43 172.836 176.580 -3.744 1
1 541 . 16 1 1 A 43 43 PRO CA C 43 63.574 62.633 0.941 1
1 542 . 16 1 1 A 43 43 PRO CB C 43 32.500 33.331 -0.831 1
1 545 . 16 1 1 A 44 44 PHE H H 44 7.742 8.642 -0.900 1
1 546 . 16 1 1 A 44 44 PHE HA H 44 5.281 5.282 -0.001 1
1 554 . 16 1 1 A 44 44 PHE C C 44 170.840 172.256 -1.416 1
1 555 . 16 1 1 A 44 44 PHE CA C 44 56.174 56.186 -0.012 1
1 556 . 16 1 1 A 44 44 PHE CB C 44 42.280 41.906 0.374 1
1 562 . 16 1 1 A 44 44 PHE N N 44 115.046 117.842 -2.796 1
1 563 . 16 1 1 A 45 45 LYS H H 45 8.944 9.281 -0.337 1
1 564 . 16 1 1 A 45 45 LYS HA H 45 4.641 4.931 -0.290 1
1 573 . 16 1 1 A 45 45 LYS C C 45 171.934 174.477 -2.543 1
1 574 . 16 1 1 A 45 45 LYS CA C 45 55.210 54.985 0.225 1
1 575 . 16 1 1 A 45 45 LYS CB C 45 35.600 34.636 0.964 1
1 579 . 16 1 1 A 45 45 LYS N N 45 121.090 121.132 -0.042 1
1 580 . 16 1 1 A 46 46 LEU H H 46 8.897 8.804 0.093 1
1 581 . 16 1 1 A 46 46 LEU HA H 46 5.332 5.123 0.209 1
1 590 . 16 1 1 A 46 46 LEU C C 46 172.666 175.663 -2.997 1
1 591 . 16 1 1 A 46 46 LEU CA C 46 54.510 54.291 0.219 1
1 592 . 16 1 1 A 46 46 LEU CB C 46 44.620 44.480 0.140 1
1 595 . 16 1 1 A 46 46 LEU N N 46 128.615 129.103 -0.488 1
1 596 . 16 1 1 A 47 47 GLU H H 47 9.220 8.737 0.483 1
1 597 . 16 1 1 A 47 47 GLU HA H 47 4.911 4.912 -0.001 1
1 602 . 16 1 1 A 47 47 GLU C C 47 172.392 174.382 -1.990 1
1 603 . 16 1 1 A 47 47 GLU CA C 47 54.980 55.209 -0.229 1
1 604 . 16 1 1 A 47 47 GLU CB C 47 34.490 34.569 -0.079 1
1 606 . 16 1 1 A 47 47 GLU N N 47 125.300 124.879 0.421 1
1 607 . 16 1 1 A 48 48 PHE H H 48 9.157 9.112 0.045 1
1 608 . 16 1 1 A 48 48 PHE HA H 48 4.302 5.221 -0.919 1
1 616 . 16 1 1 A 48 48 PHE C C 48 171.971 174.435 -2.464 1
1 617 . 16 1 1 A 48 48 PHE CA C 48 58.240 56.755 1.485 1
1 618 . 16 1 1 A 48 48 PHE CB C 48 39.410 41.916 -2.506 1
1 624 . 16 1 1 A 48 48 PHE N N 48 126.911 124.412 2.499 1
1 625 . 16 1 1 A 49 49 LYS H H 49 8.256 8.442 -0.186 1
1 626 . 16 1 1 A 49 49 LYS HA H 49 4.176 4.204 -0.028 1
1 635 . 16 1 1 A 49 49 LYS C C 49 172.030 176.235 -4.205 1
1 636 . 16 1 1 A 49 49 LYS CA C 49 55.244 57.299 -2.055 1
1 637 . 16 1 1 A 49 49 LYS CB C 49 32.640 32.621 0.019 1
1 641 . 16 1 1 A 49 49 LYS N N 49 127.526 124.757 2.769 1
1 642 . 16 1 1 A 50 50 ASN H H 50 7.062 7.253 -0.191 1
1 643 . 16 1 1 A 50 50 ASN HA H 50 4.353 5.031 -0.678 1
1 648 . 16 1 1 A 50 50 ASN C C 50 171.278 172.907 -1.629 1
1 649 . 16 1 1 A 50 50 ASN CA C 50 53.807 51.927 1.880 1
1 650 . 16 1 1 A 50 50 ASN CB C 50 40.460 43.796 -3.336 1
1 651 . 16 1 1 A 50 50 ASN N N 50 115.764 114.157 1.607 1
1 653 . 16 1 1 A 51 51 THR H H 51 8.217 8.750 -0.533 1
1 654 . 16 1 1 A 51 51 THR HA H 51 4.685 5.229 -0.544 1
1 659 . 16 1 1 A 51 51 THR C C 51 171.816 172.025 -0.209 1
1 660 . 16 1 1 A 51 51 THR CA C 51 61.243 59.746 1.497 1
1 661 . 16 1 1 A 51 51 THR CB C 51 70.632 72.076 -1.444 1
1 663 . 16 1 1 A 51 51 THR N N 51 114.341 115.119 -0.778 1
1 664 . 16 1 1 A 52 52 SER H H 52 8.314 8.588 -0.274 1
1 665 . 16 1 1 A 52 52 SER HA H 52 4.395 4.586 -0.191 1
1 668 . 16 1 1 A 52 52 SER CA C 52 58.470 58.564 -0.094 1
1 669 . 16 1 1 A 52 52 SER CB C 52 64.580 63.917 0.663 1
1 670 . 16 1 1 A 52 52 SER N N 52 118.503 121.180 -2.677 1
1 671 . 16 1 1 A 54 54 ASN HA H 54 4.484 4.873 -0.389 1
1 676 . 16 1 1 A 54 54 ASN C C 54 171.753 174.330 -2.577 1
1 677 . 16 1 1 A 54 54 ASN CA C 54 53.296 52.895 0.401 1
1 678 . 16 1 1 A 54 54 ASN CB C 54 38.080 38.549 -0.469 1
1 680 . 16 1 1 A 55 55 ALA H H 55 7.927 8.204 -0.277 1
1 681 . 16 1 1 A 55 55 ALA HA H 55 3.759 4.093 -0.334 1
1 685 . 16 1 1 A 55 55 ALA C C 55 173.386 177.015 -3.629 1
1 686 . 16 1 1 A 55 55 ALA CA C 55 53.266 53.089 0.177 1
1 687 . 16 1 1 A 55 55 ALA CB C 55 18.180 17.398 0.782 1
1 688 . 16 1 1 A 55 55 ALA N N 55 120.429 120.218 0.211 1
1 689 . 16 1 1 A 56 56 LYS H H 56 7.426 7.491 -0.065 1
1 690 . 16 1 1 A 56 56 LYS HA H 56 3.919 3.839 0.080 1
1 702 . 16 1 1 A 56 56 LYS C C 56 172.612 175.525 -2.913 1
1 703 . 16 1 1 A 56 56 LYS CA C 56 57.113 57.733 -0.620 1
1 704 . 16 1 1 A 56 56 LYS CB C 56 33.566 33.257 0.309 1
1 708 . 16 1 1 A 56 56 LYS N N 56 116.392 117.733 -1.341 1
1 710 . 16 1 1 A 57 57 PHE H H 57 7.253 7.493 -0.240 1
1 711 . 16 1 1 A 57 57 PHE HA H 57 5.062 5.255 -0.193 1
1 719 . 16 1 1 A 57 57 PHE C C 57 171.527 173.895 -2.368 1
1 720 . 16 1 1 A 57 57 PHE CA C 57 54.920 56.418 -1.498 1
1 721 . 16 1 1 A 57 57 PHE CB C 57 41.910 42.337 -0.427 1
1 727 . 16 1 1 A 57 57 PHE N N 57 113.835 116.165 -2.330 1
1 728 . 16 1 1 A 58 58 TYR H H 58 9.172 9.499 -0.327 1
1 729 . 16 1 1 A 58 58 TYR HA H 58 4.746 5.127 -0.381 1
1 736 . 16 1 1 A 58 58 TYR C C 58 171.294 174.696 -3.402 1
1 737 . 16 1 1 A 58 58 TYR CA C 58 57.770 56.362 1.408 1
1 738 . 16 1 1 A 58 58 TYR CB C 58 41.784 41.160 0.624 1
1 743 . 16 1 1 A 58 58 TYR N N 58 121.139 121.939 -0.800 1
1 744 . 16 1 1 A 59 59 SER H H 59 8.786 8.826 -0.040 1
1 745 . 16 1 1 A 59 59 SER HA H 59 5.399 4.855 0.544 1
1 748 . 16 1 1 A 59 59 SER C C 59 170.105 173.439 -3.334 1
1 749 . 16 1 1 A 59 59 SER CA C 59 57.650 58.010 -0.360 1
1 750 . 16 1 1 A 59 59 SER CB C 59 65.220 63.633 1.587 1
1 751 . 16 1 1 A 59 59 SER N N 59 118.511 120.599 -2.088 1
1 752 . 16 1 1 A 60 60 PHE H H 60 9.389 9.627 -0.238 1
1 753 . 16 1 1 A 60 60 PHE HA H 60 5.210 5.061 0.149 1
1 761 . 16 1 1 A 60 60 PHE C C 60 172.188 174.476 -2.288 1
1 762 . 16 1 1 A 60 60 PHE CA C 60 56.824 55.711 1.113 1
1 763 . 16 1 1 A 60 60 PHE CB C 60 43.645 41.859 1.786 1
1 769 . 16 1 1 A 60 60 PHE N N 60 121.864 126.485 -4.621 1
1 770 . 16 1 1 A 61 61 ASN H H 61 9.448 9.500 -0.052 1
1 771 . 16 1 1 A 61 61 ASN HA H 61 5.564 5.486 0.078 1
1 776 . 16 1 1 A 61 61 ASN C C 61 171.756 174.351 -2.595 1
1 777 . 16 1 1 A 61 61 ASN CA C 61 53.012 52.235 0.777 1
1 778 . 16 1 1 A 61 61 ASN CB C 61 42.580 41.870 0.710 1
1 779 . 16 1 1 A 61 61 ASN N N 61 121.107 121.372 -0.265 1
1 781 . 16 1 1 A 62 62 VAL H H 62 9.361 8.932 0.429 1
1 782 . 16 1 1 A 62 62 VAL HA H 62 5.159 5.197 -0.038 1
1 790 . 16 1 1 A 62 62 VAL C C 62 171.964 174.992 -3.028 1
1 791 . 16 1 1 A 62 62 VAL CA C 62 60.991 61.241 -0.250 1
1 792 . 16 1 1 A 62 62 VAL CB C 62 35.350 34.587 0.763 1
1 795 . 16 1 1 A 62 62 VAL N N 62 126.781 126.589 0.192 1
1 796 . 16 1 1 A 63 63 SER H H 63 8.750 9.141 -0.391 1
1 797 . 16 1 1 A 63 63 SER HA H 63 5.955 5.797 0.158 1
1 800 . 16 1 1 A 63 63 SER C C 63 171.905 173.612 -1.707 1
1 801 . 16 1 1 A 63 63 SER CA C 63 56.587 56.686 -0.099 1
1 802 . 16 1 1 A 63 63 SER CB C 63 65.231 65.021 0.210 1
1 803 . 16 1 1 A 63 63 SER N N 63 120.886 122.010 -1.124 1
1 804 . 16 1 1 A 64 64 MET H H 64 8.918 8.973 -0.055 1
1 805 . 16 1 1 A 64 64 MET HA H 64 4.622 5.349 -0.727 1
1 813 . 16 1 1 A 64 64 MET C C 64 170.352 175.115 -4.763 1
1 814 . 16 1 1 A 64 64 MET CA C 64 55.950 53.762 2.188 1
1 815 . 16 1 1 A 64 64 MET CB C 64 38.000 36.162 1.838 1
1 818 . 16 1 1 A 64 64 MET N N 64 123.839 121.673 2.166 1
1 819 . 16 1 1 A 65 65 GLU H H 65 9.213 8.551 0.662 1
1 820 . 16 1 1 A 65 65 GLU HA H 65 4.740 4.697 0.043 1
1 825 . 16 1 1 A 65 65 GLU C C 65 172.659 176.612 -3.953 1
1 826 . 16 1 1 A 65 65 GLU CA C 65 57.547 57.216 0.331 1
1 827 . 16 1 1 A 65 65 GLU CB C 65 31.100 30.292 0.808 1
1 829 . 16 1 1 A 65 65 GLU N N 65 125.938 119.892 6.046 1
1 830 . 16 1 1 A 66 66 VAL H H 66 9.031 8.953 0.078 1
1 831 . 16 1 1 A 66 66 VAL HA H 66 4.632 4.734 -0.102 1
1 839 . 16 1 1 A 66 66 VAL C C 66 174.252 175.927 -1.675 1
1 840 . 16 1 1 A 66 66 VAL CA C 66 59.454 59.889 -0.435 1
1 841 . 16 1 1 A 66 66 VAL CB C 66 35.450 35.017 0.433 1
1 844 . 16 1 1 A 66 66 VAL N N 66 117.398 117.871 -0.473 1
1 845 . 16 1 1 A 67 67 SER H H 67 9.309 9.183 0.126 1
1 846 . 16 1 1 A 67 67 SER HA H 67 4.185 4.570 -0.385 1
1 849 . 16 1 1 A 67 67 SER C C 67 170.646 174.331 -3.685 1
1 850 . 16 1 1 A 67 67 SER CA C 67 61.719 59.855 1.864 1
1 851 . 16 1 1 A 67 67 SER CB C 67 64.540 64.274 0.266 1
1 852 . 16 1 1 A 67 67 SER N N 67 116.754 117.876 -1.122 1
1 853 . 16 1 1 A 68 68 ASN H H 68 7.279 7.659 -0.380 1
1 854 . 16 1 1 A 68 68 ASN HA H 68 3.345 4.404 -1.059 1
1 859 . 16 1 1 A 68 68 ASN C C 68 170.781 175.068 -4.287 1
1 860 . 16 1 1 A 68 68 ASN CA C 68 51.758 51.739 0.019 1
1 861 . 16 1 1 A 68 68 ASN CB C 68 38.809 39.572 -0.763 1
1 862 . 16 1 1 A 68 68 ASN N N 68 110.062 114.327 -4.265 1
1 864 . 16 1 1 A 69 69 GLU H H 69 8.126 8.305 -0.179 1
1 865 . 16 1 1 A 69 69 GLU HA H 69 3.337 3.673 -0.336 1
1 870 . 16 1 1 A 69 69 GLU C C 69 174.537 177.404 -2.867 1
1 871 . 16 1 1 A 69 69 GLU CA C 69 59.749 58.860 0.889 1
1 872 . 16 1 1 A 69 69 GLU CB C 69 30.250 28.782 1.468 1
1 874 . 16 1 1 A 69 69 GLU N N 69 120.604 119.683 0.921 1
1 875 . 16 1 1 A 70 70 SER H H 70 7.981 7.799 0.182 1
1 876 . 16 1 1 A 70 70 SER HA H 70 4.030 4.050 -0.020 1
1 879 . 16 1 1 A 70 70 SER C C 70 174.715 176.974 -2.259 1
1 880 . 16 1 1 A 70 70 SER CA C 70 62.097 61.404 0.693 1
1 881 . 16 1 1 A 70 70 SER CB C 70 62.350 62.898 -0.548 1
1 882 . 16 1 1 A 70 70 SER N N 70 114.770 114.663 0.107 1
1 883 . 16 1 1 A 71 71 GLU H H 71 8.572 7.762 0.810 1
1 884 . 16 1 1 A 71 71 GLU HA H 71 3.927 4.063 -0.136 1
1 889 . 16 1 1 A 71 71 GLU C C 71 174.769 178.963 -4.194 1
1 890 . 16 1 1 A 71 71 GLU CA C 71 59.849 59.233 0.616 1
1 891 . 16 1 1 A 71 71 GLU CB C 71 30.950 28.818 2.132 1
1 893 . 16 1 1 A 71 71 GLU N N 71 124.163 121.762 2.401 1
1 894 . 16 1 1 A 72 72 ARG H H 72 7.797 7.923 -0.126 1
1 895 . 16 1 1 A 72 72 ARG HA H 72 3.776 4.232 -0.456 1
1 900 . 16 1 1 A 72 72 ARG C C 72 177.552 178.972 -1.420 1
1 901 . 16 1 1 A 72 72 ARG CA C 72 58.680 59.294 -0.614 1
1 902 . 16 1 1 A 72 72 ARG CB C 72 30.110 29.714 0.396 1
1 905 . 16 1 1 A 72 72 ARG N N 72 118.396 120.995 -2.599 1
1 906 . 16 1 1 A 73 73 ASN H H 73 8.175 7.703 0.472 1
1 907 . 16 1 1 A 73 73 ASN HA H 73 4.461 4.574 -0.113 1
1 912 . 16 1 1 A 73 73 ASN C C 73 174.089 177.798 -3.709 1
1 913 . 16 1 1 A 73 73 ASN CA C 73 55.500 55.754 -0.254 1
1 914 . 16 1 1 A 73 73 ASN CB C 73 37.844 38.514 -0.670 1
1 915 . 16 1 1 A 73 73 ASN N N 73 118.156 117.624 0.532 1
1 917 . 16 1 1 A 74 74 GLU H H 74 8.473 8.171 0.302 1
1 918 . 16 1 1 A 74 74 GLU HA H 74 3.954 4.098 -0.144 1
1 923 . 16 1 1 A 74 74 GLU C C 74 175.719 179.336 -3.617 1
1 924 . 16 1 1 A 74 74 GLU CA C 74 60.093 59.265 0.828 1
1 925 . 16 1 1 A 74 74 GLU CB C 74 30.460 29.412 1.048 1
1 927 . 16 1 1 A 74 74 GLU N N 74 124.825 119.804 5.021 1
1 928 . 16 1 1 A 75 75 ILE H H 75 8.273 8.274 -0.001 1
1 929 . 16 1 1 A 75 75 ILE HA H 75 3.229 3.768 -0.539 1
1 939 . 16 1 1 A 75 75 ILE C C 75 174.591 178.235 -3.644 1
1 940 . 16 1 1 A 75 75 ILE CA C 75 66.460 64.667 1.793 1
1 941 . 16 1 1 A 75 75 ILE CB C 75 38.262 36.942 1.320 1
1 945 . 16 1 1 A 75 75 ILE N N 75 120.282 120.020 0.262 1
1 946 . 16 1 1 A 76 76 PHE H H 76 7.233 8.035 -0.802 1
1 947 . 16 1 1 A 76 76 PHE HA H 76 3.600 4.012 -0.412 1
1 955 . 16 1 1 A 76 76 PHE C C 76 175.036 177.688 -2.652 1
1 956 . 16 1 1 A 76 76 PHE CA C 76 62.227 61.885 0.342 1
1 957 . 16 1 1 A 76 76 PHE CB C 76 40.170 39.189 0.981 1
1 963 . 16 1 1 A 76 76 PHE N N 76 117.265 121.683 -4.418 1
1 964 . 16 1 1 A 77 77 GLN H H 77 8.262 8.216 0.046 1
1 965 . 16 1 1 A 77 77 GLN HA H 77 3.753 3.637 0.116 1
1 972 . 16 1 1 A 77 77 GLN C C 77 176.132 178.706 -2.574 1
1 973 . 16 1 1 A 77 77 GLN CA C 77 59.113 59.475 -0.362 1
1 974 . 16 1 1 A 77 77 GLN CB C 77 28.487 28.998 -0.511 1
1 976 . 16 1 1 A 77 77 GLN N N 77 118.919 118.585 0.334 1
1 978 . 16 1 1 A 78 78 LYS H H 78 8.508 7.704 0.804 1
1 979 . 16 1 1 A 78 78 LYS HA H 78 3.804 4.057 -0.253 1
1 988 . 16 1 1 A 78 78 LYS C C 78 177.438 179.203 -1.765 1
1 989 . 16 1 1 A 78 78 LYS CA C 78 60.107 59.151 0.956 1
1 990 . 16 1 1 A 78 78 LYS CB C 78 33.160 32.666 0.494 1
1 994 . 16 1 1 A 78 78 LYS N N 78 119.345 119.139 0.206 1
1 995 . 16 1 1 A 79 79 ILE H H 79 8.395 8.107 0.288 1
1 996 . 16 1 1 A 79 79 ILE HA H 79 3.182 3.740 -0.558 1
1 1006 . 16 1 1 A 79 79 ILE C C 79 174.721 176.700 -1.979 1
1 1007 . 16 1 1 A 79 79 ILE CA C 79 66.280 64.865 1.415 1
1 1008 . 16 1 1 A 79 79 ILE CB C 79 38.360 37.546 0.814 1
1 1012 . 16 1 1 A 79 79 ILE N N 79 120.117 120.453 -0.336 1
1 1013 . 16 1 1 A 80 80 SER H H 80 7.459 7.517 -0.058 1
1 1014 . 16 1 1 A 80 80 SER HA H 80 3.868 4.254 -0.386 1
1 1017 . 16 1 1 A 80 80 SER C C 80 171.998 174.940 -2.942 1
1 1018 . 16 1 1 A 80 80 SER CA C 80 61.444 59.327 2.117 1
1 1019 . 16 1 1 A 80 80 SER CB C 80 63.500 63.368 0.132 1
1 1020 . 16 1 1 A 80 80 SER N N 80 110.857 114.422 -3.565 1
1 1021 . 16 1 1 A 81 81 GLN H H 81 7.095 7.746 -0.651 1
1 1022 . 16 1 1 A 81 81 GLN HA H 81 4.143 4.532 -0.389 1
1 1029 . 16 1 1 A 81 81 GLN C C 81 173.743 176.417 -2.674 1
1 1030 . 16 1 1 A 81 81 GLN CA C 81 55.894 55.102 0.792 1
1 1031 . 16 1 1 A 81 81 GLN CB C 81 29.390 29.041 0.349 1
1 1033 . 16 1 1 A 81 81 GLN N N 81 117.056 119.303 -2.247 1
1 1035 . 16 1 1 A 82 82 LEU H H 82 7.495 7.597 -0.102 1
1 1036 . 16 1 1 A 82 82 LEU HA H 82 4.064 4.194 -0.130 1
1 1046 . 16 1 1 A 82 82 LEU C C 82 175.685 176.459 -0.774 1
1 1047 . 16 1 1 A 82 82 LEU CA C 82 55.730 55.277 0.453 1
1 1048 . 16 1 1 A 82 82 LEU CB C 82 41.740 42.696 -0.956 1
1 1052 . 16 1 1 A 82 82 LEU N N 82 123.191 120.245 2.946 1
1 1053 . 16 1 1 A 83 83 ASP H H 83 8.330 8.214 0.116 1
1 1054 . 16 1 1 A 83 83 ASP HA H 83 4.260 4.555 -0.295 1
1 1057 . 16 1 1 A 83 83 ASP C C 83 174.543 177.296 -2.753 1
1 1058 . 16 1 1 A 83 83 ASP CA C 83 57.056 56.024 1.032 1
1 1059 . 16 1 1 A 83 83 ASP CB C 83 41.590 40.638 0.952 1
1 1060 . 16 1 1 A 83 83 ASP N N 83 122.600 118.893 3.707 1
1 1061 . 16 1 1 A 84 84 LYS H H 84 8.152 8.465 -0.313 1
1 1062 . 16 1 1 A 84 84 LYS HA H 84 4.060 4.287 -0.227 1
1 1071 . 16 1 1 A 84 84 LYS C C 84 172.461 176.912 -4.451 1
1 1072 . 16 1 1 A 84 84 LYS CA C 84 57.301 57.788 -0.487 1
1 1073 . 16 1 1 A 84 84 LYS CB C 84 31.140 32.640 -1.500 1
1 1077 . 16 1 1 A 84 84 LYS N N 84 113.797 117.021 -3.224 1
1 1078 . 16 1 1 A 85 85 VAL H H 85 7.290 7.589 -0.299 1
1 1079 . 16 1 1 A 85 85 VAL HA H 85 4.230 4.269 -0.039 1
1 1087 . 16 1 1 A 85 85 VAL C C 85 173.934 175.765 -1.831 1
1 1088 . 16 1 1 A 85 85 VAL CA C 85 63.300 62.461 0.839 1
1 1089 . 16 1 1 A 85 85 VAL CB C 85 32.320 32.742 -0.422 1
1 1092 . 16 1 1 A 85 85 VAL N N 85 118.733 119.333 -0.600 1
1 1093 . 16 1 1 A 86 86 VAL H H 86 9.093 9.200 -0.107 1
1 1094 . 16 1 1 A 86 86 VAL HA H 86 4.165 4.521 -0.356 1
1 1102 . 16 1 1 A 86 86 VAL C C 86 173.235 175.616 -2.381 1
1 1103 . 16 1 1 A 86 86 VAL CA C 86 62.144 62.095 0.049 1
1 1104 . 16 1 1 A 86 86 VAL CB C 86 33.397 33.698 -0.301 1
1 1107 . 16 1 1 A 86 86 VAL N N 86 125.341 123.804 1.537 1
1 1108 . 16 1 1 A 87 87 GLN H H 87 7.727 7.418 0.309 1
1 1109 . 16 1 1 A 87 87 GLN HA H 87 4.437 4.999 -0.562 1
1 1114 . 16 1 1 A 87 87 GLN C C 87 170.954 174.141 -3.187 1
1 1115 . 16 1 1 A 87 87 GLN CA C 87 56.370 55.134 1.236 1
1 1116 . 16 1 1 A 87 87 GLN CB C 87 32.420 32.172 0.248 1
1 1118 . 16 1 1 A 87 87 GLN N N 87 119.469 121.011 -1.542 1
1 1119 . 16 1 1 A 88 88 THR H H 88 8.087 8.961 -0.874 1
1 1120 . 16 1 1 A 88 88 THR HA H 88 4.857 5.359 -0.502 1
1 1125 . 16 1 1 A 88 88 THR CA C 88 61.850 60.550 1.300 1
1 1126 . 16 1 1 A 88 88 THR CB C 88 69.900 70.868 -0.968 1
1 1128 . 16 1 1 A 88 88 THR N N 88 119.679 116.662 3.017 1
1 1129 . 16 1 1 A 89 89 LEU HA H 89 4.851 5.046 -0.195 1
1 1139 . 16 1 1 A 89 89 LEU C C 89 174.211 177.198 -2.987 1
1 1140 . 16 1 1 A 89 89 LEU CA C 89 54.590 53.443 1.147 1
1 1141 . 16 1 1 A 89 89 LEU CB C 89 44.176 42.364 1.812 1
1 1145 . 16 1 1 A 90 90 GLY H H 90 8.697 9.118 -0.421 1
1 1146 . 16 1 1 A 90 90 GLY HA2 H 90 4.181 4.460 -0.279 1
1 1147 . 16 1 1 A 90 90 GLY HA3 H 90 4.267 4.476 -0.209 1
1 1148 . 16 1 1 A 90 90 GLY C C 90 170.516 174.012 -3.496 1
1 1149 . 16 1 1 A 90 90 GLY CA C 90 45.810 45.666 0.144 1
1 1150 . 16 1 1 A 90 90 GLY N N 90 109.859 113.762 -3.903 1
1 1 . 17 1 1 A 2 2 GLY HA2 H 2 3.721 3.979 -0.258 1
1 2 . 17 1 1 A 2 2 GLY HA3 H 2 3.721 4.026 -0.305 1
1 3 . 17 1 1 A 2 2 GLY CA C 2 43.440 46.360 -2.920 1
1 4 . 17 1 1 A 3 3 HIS HA H 3 4.602 5.381 -0.779 1
1 9 . 17 1 1 A 3 3 HIS C C 3 172.383 174.339 -1.956 1
1 10 . 17 1 1 A 3 3 HIS CA C 3 56.270 53.769 2.501 1
1 11 . 17 1 1 A 3 3 HIS CB C 3 30.850 31.961 -1.111 1
1 14 . 17 1 1 A 4 4 MET H H 4 8.397 8.935 -0.538 1
1 15 . 17 1 1 A 4 4 MET HA H 4 4.720 4.854 -0.134 1
1 23 . 17 1 1 A 4 4 MET CA C 4 53.410 53.320 0.090 1
1 24 . 17 1 1 A 4 4 MET CB C 4 32.550 34.072 -1.522 1
1 27 . 17 1 1 A 4 4 MET N N 4 123.715 121.615 2.100 1
1 28 . 17 1 1 A 5 5 PRO HA H 5 4.340 4.613 -0.273 1
1 35 . 17 1 1 A 5 5 PRO C C 5 174.369 176.373 -2.004 1
1 36 . 17 1 1 A 5 5 PRO CA C 5 63.686 62.627 1.059 1
1 37 . 17 1 1 A 5 5 PRO CB C 5 32.430 32.241 0.189 1
1 40 . 17 1 1 A 6 6 SER H H 6 8.337 8.279 0.058 1
1 41 . 17 1 1 A 6 6 SER HA H 6 4.299 4.672 -0.373 1
1 44 . 17 1 1 A 6 6 SER C C 6 171.770 174.277 -2.507 1
1 45 . 17 1 1 A 6 6 SER CA C 6 58.800 56.777 2.023 1
1 46 . 17 1 1 A 6 6 SER CB C 6 63.896 65.365 -1.469 1
1 47 . 17 1 1 A 6 6 SER N N 6 115.479 117.573 -2.094 1
1 48 . 17 1 1 A 7 7 ASP H H 7 8.269 8.933 -0.664 1
1 49 . 17 1 1 A 7 7 ASP HA H 7 4.545 4.319 0.226 1
1 52 . 17 1 1 A 7 7 ASP C C 7 173.646 176.901 -3.255 1
1 53 . 17 1 1 A 7 7 ASP CA C 7 54.571 57.187 -2.616 1
1 54 . 17 1 1 A 7 7 ASP CB C 7 41.353 40.911 0.442 1
1 55 . 17 1 1 A 7 7 ASP N N 7 122.367 126.125 -3.758 1
1 56 . 17 1 1 A 8 8 SER H H 8 8.126 7.820 0.306 1
1 57 . 17 1 1 A 8 8 SER HA H 8 4.337 4.662 -0.325 1
1 60 . 17 1 1 A 8 8 SER C C 8 171.792 174.664 -2.872 1
1 61 . 17 1 1 A 8 8 SER CA C 8 58.950 58.131 0.819 1
1 62 . 17 1 1 A 8 8 SER CB C 8 64.140 65.332 -1.192 1
1 63 . 17 1 1 A 8 8 SER N N 8 116.038 107.982 8.056 1
1 64 . 17 1 1 A 9 9 LYS H H 9 8.400 7.437 0.963 1
1 65 . 17 1 1 A 9 9 LYS HA H 9 4.225 4.308 -0.083 1
1 74 . 17 1 1 A 9 9 LYS C C 9 173.626 176.844 -3.218 1
1 75 . 17 1 1 A 9 9 LYS CA C 9 56.391 56.494 -0.103 1
1 76 . 17 1 1 A 9 9 LYS CB C 9 32.970 33.082 -0.112 1
1 80 . 17 1 1 A 9 9 LYS N N 9 122.400 122.688 -0.288 1
1 81 . 17 1 1 A 10 10 LYS H H 10 8.180 8.940 -0.760 1
1 82 . 17 1 1 A 10 10 LYS HA H 10 4.493 3.890 0.603 1
1 91 . 17 1 1 A 10 10 LYS CA C 10 54.500 56.722 -2.222 1
1 92 . 17 1 1 A 10 10 LYS CB C 10 32.750 30.724 2.026 1
1 96 . 17 1 1 A 10 10 LYS N N 10 123.900 118.634 5.266 1
1 97 . 17 1 1 A 11 11 PRO HA H 11 4.404 4.584 -0.180 1
1 104 . 17 1 1 A 11 11 PRO C C 11 174.099 175.254 -1.155 1
1 105 . 17 1 1 A 11 11 PRO CA C 11 63.451 62.473 0.978 1
1 106 . 17 1 1 A 11 11 PRO CB C 11 32.405 32.941 -0.536 1
1 109 . 17 1 1 A 12 12 THR H H 12 8.277 8.528 -0.251 1
1 110 . 17 1 1 A 12 12 THR HA H 12 4.156 4.672 -0.516 1
1 115 . 17 1 1 A 12 12 THR C C 12 171.255 174.099 -2.844 1
1 116 . 17 1 1 A 12 12 THR CA C 12 62.829 61.606 1.223 1
1 117 . 17 1 1 A 12 12 THR CB C 12 70.113 69.299 0.814 1
1 119 . 17 1 1 A 12 12 THR N N 12 116.775 115.836 0.939 1
1 120 . 17 1 1 A 13 13 ILE H H 13 8.141 9.292 -1.151 1
1 121 . 17 1 1 A 13 13 ILE HA H 13 3.880 4.797 -0.917 1
1 131 . 17 1 1 A 13 13 ILE C C 13 171.936 174.837 -2.901 1
1 132 . 17 1 1 A 13 13 ILE CA C 13 61.000 59.614 1.386 1
1 133 . 17 1 1 A 13 13 ILE CB C 13 38.957 39.559 -0.602 1
1 137 . 17 1 1 A 13 13 ILE N N 13 126.554 128.051 -1.497 1
1 138 . 17 1 1 A 14 14 ILE H H 14 7.890 8.859 -0.969 1
1 139 . 17 1 1 A 14 14 ILE HA H 14 4.045 4.763 -0.718 1
1 149 . 17 1 1 A 14 14 ILE C C 14 171.624 174.866 -3.242 1
1 150 . 17 1 1 A 14 14 ILE CA C 14 60.132 60.203 -0.071 1
1 151 . 17 1 1 A 14 14 ILE CB C 14 38.760 38.291 0.469 1
1 155 . 17 1 1 A 14 14 ILE N N 14 127.503 128.584 -1.081 1
1 156 . 17 1 1 A 15 15 TYR H H 15 8.185 9.102 -0.917 1
1 165 . 17 1 1 A 15 15 TYR N N 15 123.664 126.774 -3.110 1
1 166 . 17 1 1 A 16 16 PRO HA H 16 5.087 5.339 -0.252 1
1 173 . 17 1 1 A 16 16 PRO C C 16 172.702 174.942 -2.240 1
1 174 . 17 1 1 A 16 16 PRO CA C 16 62.891 62.621 0.270 1
1 175 . 17 1 1 A 16 16 PRO CB C 16 36.288 32.949 3.339 1
1 178 . 17 1 1 A 17 17 CYS H H 17 8.579 8.450 0.129 1
1 179 . 17 1 1 A 17 17 CYS HA H 17 4.924 4.939 -0.015 1
1 182 . 17 1 1 A 17 17 CYS C C 17 169.725 173.660 -3.935 1
1 183 . 17 1 1 A 17 17 CYS CA C 17 55.925 58.095 -2.170 1
1 184 . 17 1 1 A 17 17 CYS CB C 17 31.200 31.484 -0.284 1
1 185 . 17 1 1 A 17 17 CYS N N 17 114.797 119.310 -4.513 1
1 186 . 17 1 1 A 18 18 LEU H H 18 8.449 8.582 -0.133 1
1 187 . 17 1 1 A 18 18 LEU HA H 18 4.336 4.710 -0.374 1
1 197 . 17 1 1 A 18 18 LEU C C 18 172.529 175.976 -3.447 1
1 198 . 17 1 1 A 18 18 LEU CA C 18 55.600 55.019 0.581 1
1 199 . 17 1 1 A 18 18 LEU CB C 18 42.550 40.769 1.781 1
1 203 . 17 1 1 A 18 18 LEU N N 18 122.242 123.728 -1.486 1
1 204 . 17 1 1 A 19 19 TRP H H 19 9.079 9.232 -0.153 1
1 205 . 17 1 1 A 19 19 TRP HA H 19 4.300 5.111 -0.811 1
1 214 . 17 1 1 A 19 19 TRP C C 19 170.195 174.381 -4.186 1
1 215 . 17 1 1 A 19 19 TRP CA C 19 56.750 55.776 0.974 1
1 216 . 17 1 1 A 19 19 TRP CB C 19 33.935 32.399 1.536 1
1 222 . 17 1 1 A 19 19 TRP N N 19 130.082 127.687 2.395 1
1 224 . 17 1 1 A 20 20 ASP H H 20 6.314 8.277 -1.963 1
1 225 . 17 1 1 A 20 20 ASP HA H 20 5.559 5.064 0.495 1
1 228 . 17 1 1 A 20 20 ASP C C 20 172.285 174.889 -2.604 1
1 229 . 17 1 1 A 20 20 ASP CA C 20 52.900 53.440 -0.540 1
1 230 . 17 1 1 A 20 20 ASP CB C 20 43.450 42.408 1.042 1
1 231 . 17 1 1 A 20 20 ASP N N 20 122.801 125.393 -2.592 1
1 232 . 17 1 1 A 21 21 TYR H H 21 9.519 9.545 -0.026 1
1 233 . 17 1 1 A 21 21 TYR HA H 21 4.975 5.471 -0.496 1
1 240 . 17 1 1 A 21 21 TYR C C 21 172.202 174.566 -2.364 1
1 241 . 17 1 1 A 21 21 TYR CA C 21 56.910 56.531 0.379 1
1 242 . 17 1 1 A 21 21 TYR CB C 21 40.850 40.200 0.650 1
1 247 . 17 1 1 A 21 21 TYR N N 21 120.749 122.015 -1.266 1
1 248 . 17 1 1 A 22 22 ARG H H 22 8.758 8.949 -0.191 1
1 249 . 17 1 1 A 22 22 ARG HA H 22 5.189 4.846 0.343 1
1 256 . 17 1 1 A 22 22 ARG C C 22 172.210 175.405 -3.195 1
1 257 . 17 1 1 A 22 22 ARG CA C 22 55.180 55.938 -0.758 1
1 258 . 17 1 1 A 22 22 ARG CB C 22 31.360 31.179 0.181 1
1 261 . 17 1 1 A 22 22 ARG N N 22 124.405 126.135 -1.730 1
1 262 . 17 1 1 A 23 23 VAL H H 23 9.170 9.131 0.039 1
1 263 . 17 1 1 A 23 23 VAL HA H 23 4.591 4.873 -0.282 1
1 271 . 17 1 1 A 23 23 VAL C C 23 171.354 175.200 -3.846 1
1 272 . 17 1 1 A 23 23 VAL CA C 23 61.836 61.576 0.260 1
1 273 . 17 1 1 A 23 23 VAL CB C 23 35.725 33.562 2.163 1
1 276 . 17 1 1 A 23 23 VAL N N 23 125.900 127.106 -1.206 1
1 277 . 17 1 1 A 24 24 ILE H H 24 8.919 9.289 -0.370 1
1 278 . 17 1 1 A 24 24 ILE HA H 24 5.119 5.107 0.012 1
1 288 . 17 1 1 A 24 24 ILE C C 24 173.492 174.998 -1.506 1
1 289 . 17 1 1 A 24 24 ILE CA C 24 60.567 60.200 0.367 1
1 290 . 17 1 1 A 24 24 ILE CB C 24 38.346 39.979 -1.633 1
1 294 . 17 1 1 A 24 24 ILE N N 24 127.789 128.090 -0.301 1
1 295 . 17 1 1 A 25 25 MET H H 25 9.857 8.974 0.883 1
1 296 . 17 1 1 A 25 25 MET HA H 25 6.017 5.359 0.658 1
1 304 . 17 1 1 A 25 25 MET C C 25 174.379 176.772 -2.393 1
1 305 . 17 1 1 A 25 25 MET CA C 25 54.898 53.998 0.900 1
1 306 . 17 1 1 A 25 25 MET CB C 25 40.260 37.269 2.991 1
1 309 . 17 1 1 A 25 25 MET N N 25 124.403 125.829 -1.426 1
1 310 . 17 1 1 A 26 26 THR H H 26 8.843 8.513 0.330 1
1 311 . 17 1 1 A 26 26 THR HA H 26 4.875 4.895 -0.020 1
1 316 . 17 1 1 A 26 26 THR C C 26 170.849 174.081 -3.232 1
1 317 . 17 1 1 A 26 26 THR CA C 26 61.826 61.803 0.023 1
1 318 . 17 1 1 A 26 26 THR CB C 26 68.846 68.842 0.004 1
1 320 . 17 1 1 A 26 26 THR N N 26 108.669 112.518 -3.849 1
1 321 . 17 1 1 A 27 27 THR H H 27 7.342 7.838 -0.496 1
1 322 . 17 1 1 A 27 27 THR HA H 27 4.618 4.718 -0.100 1
1 327 . 17 1 1 A 27 27 THR C C 27 166.898 173.352 -6.454 1
1 328 . 17 1 1 A 27 27 THR CA C 27 58.657 60.371 -1.714 1
1 329 . 17 1 1 A 27 27 THR CB C 27 69.696 70.161 -0.465 1
1 331 . 17 1 1 A 27 27 THR N N 27 114.866 114.738 0.128 1
1 332 . 17 1 1 A 28 28 LYS H H 28 7.638 8.613 -0.975 1
1 333 . 17 1 1 A 28 28 LYS HA H 28 3.991 4.521 -0.530 1
1 342 . 17 1 1 A 28 28 LYS C C 28 173.190 176.734 -3.544 1
1 343 . 17 1 1 A 28 28 LYS CA C 28 55.731 56.766 -1.035 1
1 344 . 17 1 1 A 28 28 LYS CB C 28 32.790 32.288 0.502 1
1 348 . 17 1 1 A 28 28 LYS N N 28 121.283 124.237 -2.954 1
1 349 . 17 1 1 A 29 29 ASP H H 29 8.184 7.765 0.419 1
1 350 . 17 1 1 A 29 29 ASP HA H 29 4.401 4.604 -0.203 1
1 353 . 17 1 1 A 29 29 ASP C C 29 173.830 174.797 -0.967 1
1 354 . 17 1 1 A 29 29 ASP CA C 29 53.979 53.587 0.392 1
1 355 . 17 1 1 A 29 29 ASP CB C 29 40.730 40.246 0.484 1
1 356 . 17 1 1 A 29 29 ASP N N 29 120.231 121.784 -1.553 1
1 357 . 17 1 1 A 30 30 THR H H 30 7.830 8.428 -0.598 1
1 358 . 17 1 1 A 30 30 THR HA H 30 3.742 4.650 -0.908 1
1 363 . 17 1 1 A 30 30 THR C C 30 172.987 173.754 -0.767 1
1 364 . 17 1 1 A 30 30 THR CA C 30 61.299 60.054 1.245 1
1 365 . 17 1 1 A 30 30 THR CB C 30 69.294 68.492 0.802 1
1 367 . 17 1 1 A 30 30 THR N N 30 115.459 120.894 -5.435 1
1 368 . 17 1 1 A 31 31 SER H H 31 8.561 8.650 -0.089 1
1 369 . 17 1 1 A 31 31 SER HA H 31 3.875 4.656 -0.781 1
1 372 . 17 1 1 A 31 31 SER CA C 31 63.520 59.550 3.970 1
1 373 . 17 1 1 A 31 31 SER CB C 31 62.332 64.578 -2.246 1
1 374 . 17 1 1 A 31 31 SER N N 31 119.763 125.202 -5.439 1
1 375 . 17 1 1 A 32 32 THR HA H 32 3.961 3.932 0.029 1
1 380 . 17 1 1 A 32 32 THR C C 32 173.850 176.057 -2.207 1
1 381 . 17 1 1 A 32 32 THR CA C 32 65.447 66.874 -1.427 1
1 382 . 17 1 1 A 32 32 THR CB C 32 68.715 68.667 0.048 1
1 384 . 17 1 1 A 33 33 LEU H H 33 7.209 8.121 -0.912 1
1 385 . 17 1 1 A 33 33 LEU HA H 33 3.950 3.891 0.059 1
1 395 . 17 1 1 A 33 33 LEU C C 33 174.505 178.614 -4.109 1
1 396 . 17 1 1 A 33 33 LEU CA C 33 57.653 58.507 -0.854 1
1 397 . 17 1 1 A 33 33 LEU CB C 33 42.210 41.489 0.721 1
1 401 . 17 1 1 A 33 33 LEU N N 33 125.158 121.646 3.512 1
1 402 . 17 1 1 A 34 34 LYS H H 34 8.671 7.897 0.774 1
1 403 . 17 1 1 A 34 34 LYS HA H 34 3.552 3.549 0.003 1
1 412 . 17 1 1 A 34 34 LYS C C 34 174.794 179.849 -5.055 1
1 413 . 17 1 1 A 34 34 LYS CA C 34 61.226 60.506 0.720 1
1 414 . 17 1 1 A 34 34 LYS CB C 34 32.880 32.354 0.526 1
1 418 . 17 1 1 A 34 34 LYS N N 34 119.112 118.629 0.483 1
1 419 . 17 1 1 A 35 35 GLU H H 35 7.813 8.100 -0.287 1
1 420 . 17 1 1 A 35 35 GLU HA H 35 3.863 4.016 -0.153 1
1 425 . 17 1 1 A 35 35 GLU C C 35 176.222 179.132 -2.910 1
1 426 . 17 1 1 A 35 35 GLU CA C 35 59.721 59.161 0.560 1
1 427 . 17 1 1 A 35 35 GLU CB C 35 29.898 29.229 0.669 1
1 429 . 17 1 1 A 35 35 GLU N N 35 116.554 120.331 -3.777 1
1 430 . 17 1 1 A 36 36 LEU H H 36 7.153 7.675 -0.522 1
1 431 . 17 1 1 A 36 36 LEU HA H 36 4.175 3.954 0.221 1
1 441 . 17 1 1 A 36 36 LEU C C 36 177.281 178.999 -1.718 1
1 442 . 17 1 1 A 36 36 LEU CA C 36 58.018 57.975 0.043 1
1 443 . 17 1 1 A 36 36 LEU CB C 36 41.720 41.119 0.601 1
1 447 . 17 1 1 A 36 36 LEU N N 36 119.071 118.816 0.255 1
1 448 . 17 1 1 A 37 37 LEU H H 37 8.245 7.622 0.623 1
1 449 . 17 1 1 A 37 37 LEU HA H 37 3.749 3.974 -0.225 1
1 459 . 17 1 1 A 37 37 LEU C C 37 177.903 179.666 -1.763 1
1 460 . 17 1 1 A 37 37 LEU CA C 37 58.278 58.389 -0.111 1
1 461 . 17 1 1 A 37 37 LEU CB C 37 39.600 39.753 -0.153 1
1 465 . 17 1 1 A 37 37 LEU N N 37 121.326 118.932 2.394 1
1 466 . 17 1 1 A 38 38 GLU H H 38 8.641 8.411 0.230 1
1 467 . 17 1 1 A 38 38 GLU HA H 38 4.320 4.342 -0.022 1
1 472 . 17 1 1 A 38 38 GLU C C 38 177.074 179.242 -2.168 1
1 473 . 17 1 1 A 38 38 GLU CA C 38 59.619 59.396 0.223 1
1 474 . 17 1 1 A 38 38 GLU CB C 38 29.850 29.068 0.782 1
1 476 . 17 1 1 A 38 38 GLU N N 38 119.504 119.137 0.367 1
1 477 . 17 1 1 A 39 39 THR H H 39 7.653 7.585 0.068 1
1 478 . 17 1 1 A 39 39 THR HA H 39 4.097 4.075 0.022 1
1 483 . 17 1 1 A 39 39 THR C C 39 173.229 175.480 -2.251 1
1 484 . 17 1 1 A 39 39 THR CA C 39 65.080 65.030 0.050 1
1 485 . 17 1 1 A 39 39 THR CB C 39 69.952 68.410 1.542 1
1 487 . 17 1 1 A 39 39 THR N N 39 110.838 112.827 -1.989 1
1 488 . 17 1 1 A 40 40 TYR H H 40 7.478 7.455 0.023 1
1 489 . 17 1 1 A 40 40 TYR HA H 40 4.073 4.689 -0.616 1
1 496 . 17 1 1 A 40 40 TYR C C 40 172.486 175.069 -2.583 1
1 497 . 17 1 1 A 40 40 TYR CA C 40 61.549 56.878 4.671 1
1 498 . 17 1 1 A 40 40 TYR CB C 40 37.140 37.959 -0.819 1
1 503 . 17 1 1 A 40 40 TYR N N 40 118.654 120.578 -1.924 1
1 504 . 17 1 1 A 41 41 GLN H H 41 7.901 8.107 -0.206 1
1 505 . 17 1 1 A 41 41 GLN HA H 41 3.963 3.989 -0.026 1
1 512 . 17 1 1 A 41 41 GLN C C 41 171.223 174.159 -2.936 1
1 513 . 17 1 1 A 41 41 GLN CA C 41 57.158 57.255 -0.097 1
1 514 . 17 1 1 A 41 41 GLN CB C 41 27.330 26.431 0.899 1
1 516 . 17 1 1 A 41 41 GLN N N 41 116.315 116.104 0.211 1
1 518 . 17 1 1 A 42 42 ARG H H 42 8.493 7.891 0.602 1
1 519 . 17 1 1 A 42 42 ARG HA H 42 5.052 4.940 0.112 1
1 527 . 17 1 1 A 42 42 ARG CA C 42 54.040 54.105 -0.065 1
1 528 . 17 1 1 A 42 42 ARG CB C 42 30.650 32.086 -1.436 1
1 531 . 17 1 1 A 42 42 ARG N N 42 115.494 115.882 -0.388 1
1 533 . 17 1 1 A 43 43 PRO HA H 43 4.390 4.941 -0.551 1
1 540 . 17 1 1 A 43 43 PRO C C 43 172.836 176.560 -3.724 1
1 541 . 17 1 1 A 43 43 PRO CA C 43 63.574 62.527 1.047 1
1 542 . 17 1 1 A 43 43 PRO CB C 43 32.500 33.230 -0.730 1
1 545 . 17 1 1 A 44 44 PHE H H 44 7.742 8.620 -0.878 1
1 546 . 17 1 1 A 44 44 PHE HA H 44 5.281 5.209 0.072 1
1 554 . 17 1 1 A 44 44 PHE C C 44 170.840 172.320 -1.480 1
1 555 . 17 1 1 A 44 44 PHE CA C 44 56.174 55.950 0.224 1
1 556 . 17 1 1 A 44 44 PHE CB C 44 42.280 41.711 0.569 1
1 562 . 17 1 1 A 44 44 PHE N N 44 115.046 117.686 -2.640 1
1 563 . 17 1 1 A 45 45 LYS H H 45 8.944 9.204 -0.260 1
1 564 . 17 1 1 A 45 45 LYS HA H 45 4.641 4.697 -0.056 1
1 573 . 17 1 1 A 45 45 LYS C C 45 171.934 174.844 -2.910 1
1 574 . 17 1 1 A 45 45 LYS CA C 45 55.210 55.165 0.045 1
1 575 . 17 1 1 A 45 45 LYS CB C 45 35.600 33.847 1.753 1
1 579 . 17 1 1 A 45 45 LYS N N 45 121.090 121.073 0.017 1
1 580 . 17 1 1 A 46 46 LEU H H 46 8.897 8.970 -0.073 1
1 581 . 17 1 1 A 46 46 LEU HA H 46 5.332 5.283 0.049 1
1 590 . 17 1 1 A 46 46 LEU C C 46 172.666 175.260 -2.594 1
1 591 . 17 1 1 A 46 46 LEU CA C 46 54.510 54.111 0.399 1
1 592 . 17 1 1 A 46 46 LEU CB C 46 44.620 44.162 0.458 1
1 595 . 17 1 1 A 46 46 LEU N N 46 128.615 129.028 -0.413 1
1 596 . 17 1 1 A 47 47 GLU H H 47 9.220 9.082 0.138 1
1 597 . 17 1 1 A 47 47 GLU HA H 47 4.911 5.038 -0.127 1
1 602 . 17 1 1 A 47 47 GLU C C 47 172.392 174.913 -2.521 1
1 603 . 17 1 1 A 47 47 GLU CA C 47 54.980 54.684 0.296 1
1 604 . 17 1 1 A 47 47 GLU CB C 47 34.490 34.048 0.442 1
1 606 . 17 1 1 A 47 47 GLU N N 47 125.300 124.986 0.314 1
1 607 . 17 1 1 A 48 48 PHE H H 48 9.157 9.285 -0.128 1
1 608 . 17 1 1 A 48 48 PHE HA H 48 4.302 4.882 -0.580 1
1 616 . 17 1 1 A 48 48 PHE C C 48 171.971 174.270 -2.299 1
1 617 . 17 1 1 A 48 48 PHE CA C 48 58.240 57.450 0.790 1
1 618 . 17 1 1 A 48 48 PHE CB C 48 39.410 39.801 -0.391 1
1 624 . 17 1 1 A 48 48 PHE N N 48 126.911 125.875 1.036 1
1 625 . 17 1 1 A 49 49 LYS H H 49 8.256 8.656 -0.400 1
1 626 . 17 1 1 A 49 49 LYS HA H 49 4.176 4.162 0.014 1
1 635 . 17 1 1 A 49 49 LYS C C 49 172.030 175.708 -3.678 1
1 636 . 17 1 1 A 49 49 LYS CA C 49 55.244 57.844 -2.600 1
1 637 . 17 1 1 A 49 49 LYS CB C 49 32.640 32.662 -0.022 1
1 641 . 17 1 1 A 49 49 LYS N N 49 127.526 126.725 0.801 1
1 642 . 17 1 1 A 50 50 ASN H H 50 7.062 6.632 0.430 1
1 643 . 17 1 1 A 50 50 ASN HA H 50 4.353 4.585 -0.232 1
1 648 . 17 1 1 A 50 50 ASN C C 50 171.278 172.714 -1.436 1
1 649 . 17 1 1 A 50 50 ASN CA C 50 53.807 52.409 1.398 1
1 650 . 17 1 1 A 50 50 ASN CB C 50 40.460 41.409 -0.949 1
1 651 . 17 1 1 A 50 50 ASN N N 50 115.764 112.179 3.585 1
1 653 . 17 1 1 A 51 51 THR H H 51 8.217 8.570 -0.353 1
1 654 . 17 1 1 A 51 51 THR HA H 51 4.685 4.613 0.072 1
1 659 . 17 1 1 A 51 51 THR C C 51 171.816 174.234 -2.418 1
1 660 . 17 1 1 A 51 51 THR CA C 51 61.243 62.006 -0.763 1
1 661 . 17 1 1 A 51 51 THR CB C 51 70.632 70.005 0.627 1
1 663 . 17 1 1 A 51 51 THR N N 51 114.341 118.096 -3.755 1
1 664 . 17 1 1 A 52 52 SER H H 52 8.314 8.972 -0.658 1
1 665 . 17 1 1 A 52 52 SER HA H 52 4.395 4.565 -0.170 1
1 668 . 17 1 1 A 52 52 SER CA C 52 58.470 58.404 0.066 1
1 669 . 17 1 1 A 52 52 SER CB C 52 64.580 64.095 0.485 1
1 670 . 17 1 1 A 52 52 SER N N 52 118.503 121.123 -2.620 1
1 671 . 17 1 1 A 54 54 ASN HA H 54 4.484 5.006 -0.522 1
1 676 . 17 1 1 A 54 54 ASN C C 54 171.753 175.727 -3.974 1
1 677 . 17 1 1 A 54 54 ASN CA C 54 53.296 51.851 1.445 1
1 678 . 17 1 1 A 54 54 ASN CB C 54 38.080 40.604 -2.524 1
1 680 . 17 1 1 A 55 55 ALA H H 55 7.927 8.917 -0.990 1
1 681 . 17 1 1 A 55 55 ALA HA H 55 3.759 4.170 -0.411 1
1 685 . 17 1 1 A 55 55 ALA C C 55 173.386 178.635 -5.249 1
1 686 . 17 1 1 A 55 55 ALA CA C 55 53.266 53.855 -0.589 1
1 687 . 17 1 1 A 55 55 ALA CB C 55 18.180 18.368 -0.188 1
1 688 . 17 1 1 A 55 55 ALA N N 55 120.429 128.770 -8.341 1
1 689 . 17 1 1 A 56 56 LYS H H 56 7.426 7.476 -0.050 1
1 690 . 17 1 1 A 56 56 LYS HA H 56 3.919 3.776 0.143 1
1 702 . 17 1 1 A 56 56 LYS C C 56 172.612 174.850 -2.238 1
1 703 . 17 1 1 A 56 56 LYS CA C 56 57.113 58.466 -1.353 1
1 704 . 17 1 1 A 56 56 LYS CB C 56 33.566 32.072 1.494 1
1 708 . 17 1 1 A 56 56 LYS N N 56 116.392 119.131 -2.739 1
1 710 . 17 1 1 A 57 57 PHE H H 57 7.253 7.332 -0.079 1
1 711 . 17 1 1 A 57 57 PHE HA H 57 5.062 5.374 -0.312 1
1 719 . 17 1 1 A 57 57 PHE C C 57 171.527 174.181 -2.654 1
1 720 . 17 1 1 A 57 57 PHE CA C 57 54.920 56.515 -1.595 1
1 721 . 17 1 1 A 57 57 PHE CB C 57 41.910 42.383 -0.473 1
1 727 . 17 1 1 A 57 57 PHE N N 57 113.835 116.166 -2.331 1
1 728 . 17 1 1 A 58 58 TYR H H 58 9.172 9.529 -0.357 1
1 729 . 17 1 1 A 58 58 TYR HA H 58 4.746 5.192 -0.446 1
1 736 . 17 1 1 A 58 58 TYR C C 58 171.294 174.978 -3.684 1
1 737 . 17 1 1 A 58 58 TYR CA C 58 57.770 56.144 1.626 1
1 738 . 17 1 1 A 58 58 TYR CB C 58 41.784 41.843 -0.059 1
1 743 . 17 1 1 A 58 58 TYR N N 58 121.139 121.749 -0.610 1
1 744 . 17 1 1 A 59 59 SER H H 59 8.786 8.953 -0.167 1
1 745 . 17 1 1 A 59 59 SER HA H 59 5.399 5.097 0.302 1
1 748 . 17 1 1 A 59 59 SER C C 59 170.105 173.408 -3.303 1
1 749 . 17 1 1 A 59 59 SER CA C 59 57.650 57.932 -0.282 1
1 750 . 17 1 1 A 59 59 SER CB C 59 65.220 63.826 1.394 1
1 751 . 17 1 1 A 59 59 SER N N 59 118.511 119.979 -1.468 1
1 752 . 17 1 1 A 60 60 PHE H H 60 9.389 9.688 -0.299 1
1 753 . 17 1 1 A 60 60 PHE HA H 60 5.210 5.340 -0.130 1
1 761 . 17 1 1 A 60 60 PHE C C 60 172.188 174.526 -2.338 1
1 762 . 17 1 1 A 60 60 PHE CA C 60 56.824 56.656 0.168 1
1 763 . 17 1 1 A 60 60 PHE CB C 60 43.645 42.567 1.078 1
1 769 . 17 1 1 A 60 60 PHE N N 60 121.864 125.823 -3.959 1
1 770 . 17 1 1 A 61 61 ASN H H 61 9.448 9.346 0.102 1
1 771 . 17 1 1 A 61 61 ASN HA H 61 5.564 5.493 0.071 1
1 776 . 17 1 1 A 61 61 ASN C C 61 171.756 173.796 -2.040 1
1 777 . 17 1 1 A 61 61 ASN CA C 61 53.012 52.194 0.818 1
1 778 . 17 1 1 A 61 61 ASN CB C 61 42.580 42.191 0.389 1
1 779 . 17 1 1 A 61 61 ASN N N 61 121.107 119.143 1.964 1
1 781 . 17 1 1 A 62 62 VAL H H 62 9.361 9.282 0.079 1
1 782 . 17 1 1 A 62 62 VAL HA H 62 5.159 5.523 -0.364 1
1 790 . 17 1 1 A 62 62 VAL C C 62 171.964 174.895 -2.931 1
1 791 . 17 1 1 A 62 62 VAL CA C 62 60.991 61.431 -0.440 1
1 792 . 17 1 1 A 62 62 VAL CB C 62 35.350 33.875 1.475 1
1 795 . 17 1 1 A 62 62 VAL N N 62 126.781 126.190 0.591 1
1 796 . 17 1 1 A 63 63 SER H H 63 8.750 9.272 -0.522 1
1 797 . 17 1 1 A 63 63 SER HA H 63 5.955 5.665 0.290 1
1 800 . 17 1 1 A 63 63 SER C C 63 171.905 173.600 -1.695 1
1 801 . 17 1 1 A 63 63 SER CA C 63 56.587 57.942 -1.355 1
1 802 . 17 1 1 A 63 63 SER CB C 63 65.231 64.196 1.035 1
1 803 . 17 1 1 A 63 63 SER N N 63 120.886 125.757 -4.871 1
1 804 . 17 1 1 A 64 64 MET H H 64 8.918 8.915 0.003 1
1 805 . 17 1 1 A 64 64 MET HA H 64 4.622 5.445 -0.823 1
1 813 . 17 1 1 A 64 64 MET C C 64 170.352 175.294 -4.942 1
1 814 . 17 1 1 A 64 64 MET CA C 64 55.950 53.557 2.393 1
1 815 . 17 1 1 A 64 64 MET CB C 64 38.000 35.992 2.008 1
1 818 . 17 1 1 A 64 64 MET N N 64 123.839 123.289 0.550 1
1 819 . 17 1 1 A 65 65 GLU H H 65 9.213 8.399 0.814 1
1 820 . 17 1 1 A 65 65 GLU HA H 65 4.740 5.119 -0.379 1
1 825 . 17 1 1 A 65 65 GLU C C 65 172.659 176.446 -3.787 1
1 826 . 17 1 1 A 65 65 GLU CA C 65 57.547 56.355 1.192 1
1 827 . 17 1 1 A 65 65 GLU CB C 65 31.100 30.301 0.799 1
1 829 . 17 1 1 A 65 65 GLU N N 65 125.938 119.079 6.859 1
1 830 . 17 1 1 A 66 66 VAL H H 66 9.031 8.749 0.282 1
1 831 . 17 1 1 A 66 66 VAL HA H 66 4.632 4.418 0.214 1
1 839 . 17 1 1 A 66 66 VAL C C 66 174.252 176.563 -2.311 1
1 840 . 17 1 1 A 66 66 VAL CA C 66 59.454 61.701 -2.247 1
1 841 . 17 1 1 A 66 66 VAL CB C 66 35.450 32.927 2.523 1
1 844 . 17 1 1 A 66 66 VAL N N 66 117.398 125.425 -8.027 1
1 845 . 17 1 1 A 67 67 SER H H 67 9.309 9.118 0.191 1
1 846 . 17 1 1 A 67 67 SER HA H 67 4.185 4.386 -0.201 1
1 849 . 17 1 1 A 67 67 SER C C 67 170.646 174.157 -3.511 1
1 850 . 17 1 1 A 67 67 SER CA C 67 61.719 61.103 0.616 1
1 851 . 17 1 1 A 67 67 SER CB C 67 64.540 63.761 0.779 1
1 852 . 17 1 1 A 67 67 SER N N 67 116.754 118.610 -1.856 1
1 853 . 17 1 1 A 68 68 ASN H H 68 7.279 7.756 -0.477 1
1 854 . 17 1 1 A 68 68 ASN HA H 68 3.345 4.475 -1.130 1
1 859 . 17 1 1 A 68 68 ASN C C 68 170.781 174.991 -4.210 1
1 860 . 17 1 1 A 68 68 ASN CA C 68 51.758 51.961 -0.203 1
1 861 . 17 1 1 A 68 68 ASN CB C 68 38.809 39.117 -0.308 1
1 862 . 17 1 1 A 68 68 ASN N N 68 110.062 113.251 -3.189 1
1 864 . 17 1 1 A 69 69 GLU H H 69 8.126 8.194 -0.068 1
1 865 . 17 1 1 A 69 69 GLU HA H 69 3.337 3.579 -0.242 1
1 870 . 17 1 1 A 69 69 GLU C C 69 174.537 177.395 -2.858 1
1 871 . 17 1 1 A 69 69 GLU CA C 69 59.749 59.074 0.675 1
1 872 . 17 1 1 A 69 69 GLU CB C 69 30.250 28.962 1.288 1
1 874 . 17 1 1 A 69 69 GLU N N 69 120.604 119.485 1.119 1
1 875 . 17 1 1 A 70 70 SER H H 70 7.981 7.638 0.343 1
1 876 . 17 1 1 A 70 70 SER HA H 70 4.030 4.154 -0.124 1
1 879 . 17 1 1 A 70 70 SER C C 70 174.715 177.296 -2.581 1
1 880 . 17 1 1 A 70 70 SER CA C 70 62.097 61.355 0.742 1
1 881 . 17 1 1 A 70 70 SER CB C 70 62.350 62.728 -0.378 1
1 882 . 17 1 1 A 70 70 SER N N 70 114.770 114.526 0.244 1
1 883 . 17 1 1 A 71 71 GLU H H 71 8.572 8.664 -0.092 1
1 884 . 17 1 1 A 71 71 GLU HA H 71 3.927 4.006 -0.079 1
1 889 . 17 1 1 A 71 71 GLU C C 71 174.769 178.452 -3.683 1
1 890 . 17 1 1 A 71 71 GLU CA C 71 59.849 59.235 0.614 1
1 891 . 17 1 1 A 71 71 GLU CB C 71 30.950 29.329 1.621 1
1 893 . 17 1 1 A 71 71 GLU N N 71 124.163 121.511 2.652 1
1 894 . 17 1 1 A 72 72 ARG H H 72 7.797 7.670 0.127 1
1 895 . 17 1 1 A 72 72 ARG HA H 72 3.776 4.158 -0.382 1
1 900 . 17 1 1 A 72 72 ARG C C 72 177.552 179.099 -1.547 1
1 901 . 17 1 1 A 72 72 ARG CA C 72 58.680 59.164 -0.484 1
1 902 . 17 1 1 A 72 72 ARG CB C 72 30.110 29.740 0.370 1
1 905 . 17 1 1 A 72 72 ARG N N 72 118.396 119.705 -1.309 1
1 906 . 17 1 1 A 73 73 ASN H H 73 8.175 8.080 0.095 1
1 907 . 17 1 1 A 73 73 ASN HA H 73 4.461 4.574 -0.113 1
1 912 . 17 1 1 A 73 73 ASN C C 73 174.089 177.823 -3.734 1
1 913 . 17 1 1 A 73 73 ASN CA C 73 55.500 56.145 -0.645 1
1 914 . 17 1 1 A 73 73 ASN CB C 73 37.844 37.820 0.024 1
1 915 . 17 1 1 A 73 73 ASN N N 73 118.156 117.782 0.374 1
1 917 . 17 1 1 A 74 74 GLU H H 74 8.473 8.200 0.273 1
1 918 . 17 1 1 A 74 74 GLU HA H 74 3.954 4.086 -0.132 1
1 923 . 17 1 1 A 74 74 GLU C C 74 175.719 179.198 -3.479 1
1 924 . 17 1 1 A 74 74 GLU CA C 74 60.093 59.007 1.086 1
1 925 . 17 1 1 A 74 74 GLU CB C 74 30.460 29.657 0.803 1
1 927 . 17 1 1 A 74 74 GLU N N 74 124.825 119.323 5.502 1
1 928 . 17 1 1 A 75 75 ILE H H 75 8.273 8.292 -0.019 1
1 929 . 17 1 1 A 75 75 ILE HA H 75 3.229 3.605 -0.376 1
1 939 . 17 1 1 A 75 75 ILE C C 75 174.591 177.957 -3.366 1
1 940 . 17 1 1 A 75 75 ILE CA C 75 66.460 65.376 1.084 1
1 941 . 17 1 1 A 75 75 ILE CB C 75 38.262 37.498 0.764 1
1 945 . 17 1 1 A 75 75 ILE N N 75 120.282 120.183 0.099 1
1 946 . 17 1 1 A 76 76 PHE H H 76 7.233 8.150 -0.917 1
1 947 . 17 1 1 A 76 76 PHE HA H 76 3.600 3.961 -0.361 1
1 955 . 17 1 1 A 76 76 PHE C C 76 175.036 177.836 -2.800 1
1 956 . 17 1 1 A 76 76 PHE CA C 76 62.227 61.698 0.529 1
1 957 . 17 1 1 A 76 76 PHE CB C 76 40.170 39.379 0.791 1
1 963 . 17 1 1 A 76 76 PHE N N 76 117.265 120.439 -3.174 1
1 964 . 17 1 1 A 77 77 GLN H H 77 8.262 8.041 0.221 1
1 965 . 17 1 1 A 77 77 GLN HA H 77 3.753 3.658 0.095 1
1 972 . 17 1 1 A 77 77 GLN C C 77 176.132 178.697 -2.565 1
1 973 . 17 1 1 A 77 77 GLN CA C 77 59.113 59.404 -0.291 1
1 974 . 17 1 1 A 77 77 GLN CB C 77 28.487 28.624 -0.137 1
1 976 . 17 1 1 A 77 77 GLN N N 77 118.919 118.041 0.878 1
1 978 . 17 1 1 A 78 78 LYS H H 78 8.508 7.873 0.635 1
1 979 . 17 1 1 A 78 78 LYS HA H 78 3.804 4.100 -0.296 1
1 988 . 17 1 1 A 78 78 LYS C C 78 177.438 179.210 -1.772 1
1 989 . 17 1 1 A 78 78 LYS CA C 78 60.107 59.261 0.846 1
1 990 . 17 1 1 A 78 78 LYS CB C 78 33.160 32.671 0.489 1
1 994 . 17 1 1 A 78 78 LYS N N 78 119.345 119.254 0.091 1
1 995 . 17 1 1 A 79 79 ILE H H 79 8.395 8.096 0.299 1
1 996 . 17 1 1 A 79 79 ILE HA H 79 3.182 3.735 -0.553 1
1 1006 . 17 1 1 A 79 79 ILE C C 79 174.721 176.605 -1.884 1
1 1007 . 17 1 1 A 79 79 ILE CA C 79 66.280 64.935 1.345 1
1 1008 . 17 1 1 A 79 79 ILE CB C 79 38.360 37.502 0.858 1
1 1012 . 17 1 1 A 79 79 ILE N N 79 120.117 120.447 -0.330 1
1 1013 . 17 1 1 A 80 80 SER H H 80 7.459 7.780 -0.321 1
1 1014 . 17 1 1 A 80 80 SER HA H 80 3.868 4.254 -0.386 1
1 1017 . 17 1 1 A 80 80 SER C C 80 171.998 174.890 -2.892 1
1 1018 . 17 1 1 A 80 80 SER CA C 80 61.444 59.271 2.173 1
1 1019 . 17 1 1 A 80 80 SER CB C 80 63.500 62.942 0.558 1
1 1020 . 17 1 1 A 80 80 SER N N 80 110.857 114.756 -3.899 1
1 1021 . 17 1 1 A 81 81 GLN H H 81 7.095 7.765 -0.670 1
1 1022 . 17 1 1 A 81 81 GLN HA H 81 4.143 4.450 -0.307 1
1 1029 . 17 1 1 A 81 81 GLN C C 81 173.743 176.500 -2.757 1
1 1030 . 17 1 1 A 81 81 GLN CA C 81 55.894 55.554 0.340 1
1 1031 . 17 1 1 A 81 81 GLN CB C 81 29.390 29.157 0.233 1
1 1033 . 17 1 1 A 81 81 GLN N N 81 117.056 119.310 -2.254 1
1 1035 . 17 1 1 A 82 82 LEU H H 82 7.495 7.597 -0.102 1
1 1036 . 17 1 1 A 82 82 LEU HA H 82 4.064 4.165 -0.101 1
1 1046 . 17 1 1 A 82 82 LEU C C 82 175.685 176.646 -0.961 1
1 1047 . 17 1 1 A 82 82 LEU CA C 82 55.730 55.482 0.248 1
1 1048 . 17 1 1 A 82 82 LEU CB C 82 41.740 42.464 -0.724 1
1 1052 . 17 1 1 A 82 82 LEU N N 82 123.191 120.127 3.064 1
1 1053 . 17 1 1 A 83 83 ASP H H 83 8.330 8.206 0.124 1
1 1054 . 17 1 1 A 83 83 ASP HA H 83 4.260 4.537 -0.277 1
1 1057 . 17 1 1 A 83 83 ASP C C 83 174.543 176.589 -2.046 1
1 1058 . 17 1 1 A 83 83 ASP CA C 83 57.056 55.951 1.105 1
1 1059 . 17 1 1 A 83 83 ASP CB C 83 41.590 40.647 0.943 1
1 1060 . 17 1 1 A 83 83 ASP N N 83 122.600 118.890 3.710 1
1 1061 . 17 1 1 A 84 84 LYS H H 84 8.152 8.595 -0.443 1
1 1062 . 17 1 1 A 84 84 LYS HA H 84 4.060 4.271 -0.211 1
1 1071 . 17 1 1 A 84 84 LYS C C 84 172.461 176.256 -3.795 1
1 1072 . 17 1 1 A 84 84 LYS CA C 84 57.301 58.081 -0.780 1
1 1073 . 17 1 1 A 84 84 LYS CB C 84 31.140 31.844 -0.704 1
1 1077 . 17 1 1 A 84 84 LYS N N 84 113.797 115.172 -1.375 1
1 1078 . 17 1 1 A 85 85 VAL H H 85 7.290 7.472 -0.182 1
1 1079 . 17 1 1 A 85 85 VAL HA H 85 4.230 4.407 -0.177 1
1 1087 . 17 1 1 A 85 85 VAL C C 85 173.934 175.998 -2.064 1
1 1088 . 17 1 1 A 85 85 VAL CA C 85 63.300 61.553 1.747 1
1 1089 . 17 1 1 A 85 85 VAL CB C 85 32.320 33.198 -0.878 1
1 1092 . 17 1 1 A 85 85 VAL N N 85 118.733 120.471 -1.738 1
1 1093 . 17 1 1 A 86 86 VAL H H 86 9.093 9.087 0.006 1
1 1094 . 17 1 1 A 86 86 VAL HA H 86 4.165 4.486 -0.321 1
1 1102 . 17 1 1 A 86 86 VAL C C 86 173.235 175.786 -2.551 1
1 1103 . 17 1 1 A 86 86 VAL CA C 86 62.144 62.055 0.089 1
1 1104 . 17 1 1 A 86 86 VAL CB C 86 33.397 33.551 -0.154 1
1 1107 . 17 1 1 A 86 86 VAL N N 86 125.341 123.868 1.473 1
1 1108 . 17 1 1 A 87 87 GLN H H 87 7.727 7.393 0.334 1
1 1109 . 17 1 1 A 87 87 GLN HA H 87 4.437 4.834 -0.397 1
1 1114 . 17 1 1 A 87 87 GLN C C 87 170.954 174.026 -3.072 1
1 1115 . 17 1 1 A 87 87 GLN CA C 87 56.370 55.399 0.971 1
1 1116 . 17 1 1 A 87 87 GLN CB C 87 32.420 32.111 0.309 1
1 1118 . 17 1 1 A 87 87 GLN N N 87 119.469 120.531 -1.062 1
1 1119 . 17 1 1 A 88 88 THR H H 88 8.087 8.796 -0.709 1
1 1120 . 17 1 1 A 88 88 THR HA H 88 4.857 5.365 -0.508 1
1 1125 . 17 1 1 A 88 88 THR CA C 88 61.850 60.506 1.344 1
1 1126 . 17 1 1 A 88 88 THR CB C 88 69.900 71.363 -1.463 1
1 1128 . 17 1 1 A 88 88 THR N N 88 119.679 115.353 4.326 1
1 1129 . 17 1 1 A 89 89 LEU HA H 89 4.851 5.042 -0.191 1
1 1139 . 17 1 1 A 89 89 LEU C C 89 174.211 177.031 -2.820 1
1 1140 . 17 1 1 A 89 89 LEU CA C 89 54.590 53.467 1.123 1
1 1141 . 17 1 1 A 89 89 LEU CB C 89 44.176 42.669 1.507 1
1 1145 . 17 1 1 A 90 90 GLY H H 90 8.697 9.044 -0.347 1
1 1146 . 17 1 1 A 90 90 GLY HA2 H 90 4.181 4.168 0.013 1
1 1147 . 17 1 1 A 90 90 GLY HA3 H 90 4.267 4.280 -0.013 1
1 1148 . 17 1 1 A 90 90 GLY C C 90 170.516 174.141 -3.625 1
1 1149 . 17 1 1 A 90 90 GLY CA C 90 45.810 45.567 0.243 1
1 1150 . 17 1 1 A 90 90 GLY N N 90 109.859 113.449 -3.590 1
1 1 . 18 1 1 A 2 2 GLY HA2 H 2 3.721 3.998 -0.277 1
1 2 . 18 1 1 A 2 2 GLY HA3 H 2 3.721 4.094 -0.373 1
1 3 . 18 1 1 A 2 2 GLY CA C 2 43.440 44.307 -0.867 1
1 4 . 18 1 1 A 3 3 HIS HA H 3 4.602 5.150 -0.548 1
1 9 . 18 1 1 A 3 3 HIS C C 3 172.383 174.627 -2.244 1
1 10 . 18 1 1 A 3 3 HIS CA C 3 56.270 54.354 1.916 1
1 11 . 18 1 1 A 3 3 HIS CB C 3 30.850 33.220 -2.370 1
1 14 . 18 1 1 A 4 4 MET H H 4 8.397 8.732 -0.335 1
1 15 . 18 1 1 A 4 4 MET HA H 4 4.720 4.915 -0.195 1
1 23 . 18 1 1 A 4 4 MET CA C 4 53.410 54.596 -1.186 1
1 24 . 18 1 1 A 4 4 MET CB C 4 32.550 32.438 0.112 1
1 27 . 18 1 1 A 4 4 MET N N 4 123.715 121.910 1.805 1
1 28 . 18 1 1 A 5 5 PRO HA H 5 4.340 4.407 -0.067 1
1 35 . 18 1 1 A 5 5 PRO C C 5 174.369 176.053 -1.684 1
1 36 . 18 1 1 A 5 5 PRO CA C 5 63.686 63.323 0.363 1
1 37 . 18 1 1 A 5 5 PRO CB C 5 32.430 31.743 0.687 1
1 40 . 18 1 1 A 6 6 SER H H 6 8.337 8.761 -0.424 1
1 41 . 18 1 1 A 6 6 SER HA H 6 4.299 4.848 -0.549 1
1 44 . 18 1 1 A 6 6 SER C C 6 171.770 172.937 -1.167 1
1 45 . 18 1 1 A 6 6 SER CA C 6 58.800 57.775 1.025 1
1 46 . 18 1 1 A 6 6 SER CB C 6 63.896 64.186 -0.290 1
1 47 . 18 1 1 A 6 6 SER N N 6 115.479 120.594 -5.115 1
1 48 . 18 1 1 A 7 7 ASP H H 7 8.269 8.822 -0.553 1
1 49 . 18 1 1 A 7 7 ASP HA H 7 4.545 4.821 -0.276 1
1 52 . 18 1 1 A 7 7 ASP C C 7 173.646 175.545 -1.899 1
1 53 . 18 1 1 A 7 7 ASP CA C 7 54.571 54.164 0.407 1
1 54 . 18 1 1 A 7 7 ASP CB C 7 41.353 41.271 0.082 1
1 55 . 18 1 1 A 7 7 ASP N N 7 122.367 125.780 -3.413 1
1 56 . 18 1 1 A 8 8 SER H H 8 8.126 8.579 -0.453 1
1 57 . 18 1 1 A 8 8 SER HA H 8 4.337 4.900 -0.563 1
1 60 . 18 1 1 A 8 8 SER C C 8 171.792 172.639 -0.847 1
1 61 . 18 1 1 A 8 8 SER CA C 8 58.950 56.850 2.100 1
1 62 . 18 1 1 A 8 8 SER CB C 8 64.140 66.556 -2.416 1
1 63 . 18 1 1 A 8 8 SER N N 8 116.038 118.431 -2.393 1
1 64 . 18 1 1 A 9 9 LYS H H 9 8.400 8.372 0.028 1
1 65 . 18 1 1 A 9 9 LYS HA H 9 4.225 4.326 -0.101 1
1 74 . 18 1 1 A 9 9 LYS C C 9 173.626 176.252 -2.626 1
1 75 . 18 1 1 A 9 9 LYS CA C 9 56.391 56.842 -0.451 1
1 76 . 18 1 1 A 9 9 LYS CB C 9 32.970 32.778 0.192 1
1 80 . 18 1 1 A 9 9 LYS N N 9 122.400 127.454 -5.054 1
1 81 . 18 1 1 A 10 10 LYS H H 10 8.180 8.402 -0.222 1
1 82 . 18 1 1 A 10 10 LYS HA H 10 4.493 4.399 0.094 1
1 91 . 18 1 1 A 10 10 LYS CA C 10 54.500 54.773 -0.273 1
1 92 . 18 1 1 A 10 10 LYS CB C 10 32.750 32.242 0.508 1
1 96 . 18 1 1 A 10 10 LYS N N 10 123.900 127.193 -3.293 1
1 97 . 18 1 1 A 11 11 PRO HA H 11 4.404 4.517 -0.113 1
1 104 . 18 1 1 A 11 11 PRO C C 11 174.099 176.877 -2.778 1
1 105 . 18 1 1 A 11 11 PRO CA C 11 63.451 63.209 0.242 1
1 106 . 18 1 1 A 11 11 PRO CB C 11 32.405 31.879 0.526 1
1 109 . 18 1 1 A 12 12 THR H H 12 8.277 8.443 -0.166 1
1 110 . 18 1 1 A 12 12 THR HA H 12 4.156 4.453 -0.297 1
1 115 . 18 1 1 A 12 12 THR C C 12 171.255 174.528 -3.273 1
1 116 . 18 1 1 A 12 12 THR CA C 12 62.829 62.655 0.174 1
1 117 . 18 1 1 A 12 12 THR CB C 12 70.113 68.885 1.228 1
1 119 . 18 1 1 A 12 12 THR N N 12 116.775 118.449 -1.674 1
1 120 . 18 1 1 A 13 13 ILE H H 13 8.141 8.914 -0.773 1
1 121 . 18 1 1 A 13 13 ILE HA H 13 3.880 4.526 -0.646 1
1 131 . 18 1 1 A 13 13 ILE C C 13 171.936 175.498 -3.562 1
1 132 . 18 1 1 A 13 13 ILE CA C 13 61.000 60.528 0.472 1
1 133 . 18 1 1 A 13 13 ILE CB C 13 38.957 39.137 -0.180 1
1 137 . 18 1 1 A 13 13 ILE N N 13 126.554 128.558 -2.004 1
1 138 . 18 1 1 A 14 14 ILE H H 14 7.890 8.723 -0.833 1
1 139 . 18 1 1 A 14 14 ILE HA H 14 4.045 4.670 -0.625 1
1 149 . 18 1 1 A 14 14 ILE C C 14 171.624 174.904 -3.280 1
1 150 . 18 1 1 A 14 14 ILE CA C 14 60.132 60.334 -0.202 1
1 151 . 18 1 1 A 14 14 ILE CB C 14 38.760 37.950 0.810 1
1 155 . 18 1 1 A 14 14 ILE N N 14 127.503 128.625 -1.122 1
1 156 . 18 1 1 A 15 15 TYR H H 15 8.185 9.015 -0.830 1
1 165 . 18 1 1 A 15 15 TYR N N 15 123.664 127.475 -3.811 1
1 166 . 18 1 1 A 16 16 PRO HA H 16 5.087 5.391 -0.304 1
1 173 . 18 1 1 A 16 16 PRO C C 16 172.702 174.933 -2.231 1
1 174 . 18 1 1 A 16 16 PRO CA C 16 62.891 62.585 0.306 1
1 175 . 18 1 1 A 16 16 PRO CB C 16 36.288 32.968 3.320 1
1 178 . 18 1 1 A 17 17 CYS H H 17 8.579 8.603 -0.024 1
1 179 . 18 1 1 A 17 17 CYS HA H 17 4.924 4.940 -0.016 1
1 182 . 18 1 1 A 17 17 CYS C C 17 169.725 173.661 -3.936 1
1 183 . 18 1 1 A 17 17 CYS CA C 17 55.925 58.093 -2.168 1
1 184 . 18 1 1 A 17 17 CYS CB C 17 31.200 31.632 -0.432 1
1 185 . 18 1 1 A 17 17 CYS N N 17 114.797 119.143 -4.346 1
1 186 . 18 1 1 A 18 18 LEU H H 18 8.449 8.504 -0.055 1
1 187 . 18 1 1 A 18 18 LEU HA H 18 4.336 4.834 -0.498 1
1 197 . 18 1 1 A 18 18 LEU C C 18 172.529 175.954 -3.425 1
1 198 . 18 1 1 A 18 18 LEU CA C 18 55.600 55.097 0.503 1
1 199 . 18 1 1 A 18 18 LEU CB C 18 42.550 42.155 0.395 1
1 203 . 18 1 1 A 18 18 LEU N N 18 122.242 123.492 -1.250 1
1 204 . 18 1 1 A 19 19 TRP H H 19 9.079 9.080 -0.001 1
1 205 . 18 1 1 A 19 19 TRP HA H 19 4.300 5.291 -0.991 1
1 214 . 18 1 1 A 19 19 TRP C C 19 170.195 174.306 -4.111 1
1 215 . 18 1 1 A 19 19 TRP CA C 19 56.750 55.443 1.307 1
1 216 . 18 1 1 A 19 19 TRP CB C 19 33.935 33.475 0.460 1
1 222 . 18 1 1 A 19 19 TRP N N 19 130.082 126.904 3.178 1
1 224 . 18 1 1 A 20 20 ASP H H 20 6.314 8.191 -1.877 1
1 225 . 18 1 1 A 20 20 ASP HA H 20 5.559 5.199 0.360 1
1 228 . 18 1 1 A 20 20 ASP C C 20 172.285 174.965 -2.680 1
1 229 . 18 1 1 A 20 20 ASP CA C 20 52.900 53.500 -0.600 1
1 230 . 18 1 1 A 20 20 ASP CB C 20 43.450 42.316 1.134 1
1 231 . 18 1 1 A 20 20 ASP N N 20 122.801 125.606 -2.805 1
1 232 . 18 1 1 A 21 21 TYR H H 21 9.519 9.562 -0.043 1
1 233 . 18 1 1 A 21 21 TYR HA H 21 4.975 5.241 -0.266 1
1 240 . 18 1 1 A 21 21 TYR C C 21 172.202 174.686 -2.484 1
1 241 . 18 1 1 A 21 21 TYR CA C 21 56.910 56.548 0.362 1
1 242 . 18 1 1 A 21 21 TYR CB C 21 40.850 40.339 0.511 1
1 247 . 18 1 1 A 21 21 TYR N N 21 120.749 121.973 -1.224 1
1 248 . 18 1 1 A 22 22 ARG H H 22 8.758 8.892 -0.134 1
1 249 . 18 1 1 A 22 22 ARG HA H 22 5.189 4.738 0.451 1
1 256 . 18 1 1 A 22 22 ARG C C 22 172.210 175.304 -3.094 1
1 257 . 18 1 1 A 22 22 ARG CA C 22 55.180 56.013 -0.833 1
1 258 . 18 1 1 A 22 22 ARG CB C 22 31.360 30.917 0.443 1
1 261 . 18 1 1 A 22 22 ARG N N 22 124.405 125.928 -1.523 1
1 262 . 18 1 1 A 23 23 VAL H H 23 9.170 9.389 -0.219 1
1 263 . 18 1 1 A 23 23 VAL HA H 23 4.591 4.712 -0.121 1
1 271 . 18 1 1 A 23 23 VAL C C 23 171.354 174.922 -3.568 1
1 272 . 18 1 1 A 23 23 VAL CA C 23 61.836 61.563 0.273 1
1 273 . 18 1 1 A 23 23 VAL CB C 23 35.725 33.109 2.616 1
1 276 . 18 1 1 A 23 23 VAL N N 23 125.900 127.421 -1.521 1
1 277 . 18 1 1 A 24 24 ILE H H 24 8.919 9.203 -0.284 1
1 278 . 18 1 1 A 24 24 ILE HA H 24 5.119 5.213 -0.094 1
1 288 . 18 1 1 A 24 24 ILE C C 24 173.492 175.515 -2.023 1
1 289 . 18 1 1 A 24 24 ILE CA C 24 60.567 60.409 0.158 1
1 290 . 18 1 1 A 24 24 ILE CB C 24 38.346 38.594 -0.248 1
1 294 . 18 1 1 A 24 24 ILE N N 24 127.789 129.123 -1.334 1
1 295 . 18 1 1 A 25 25 MET H H 25 9.857 9.051 0.806 1
1 296 . 18 1 1 A 25 25 MET HA H 25 6.017 5.382 0.635 1
1 304 . 18 1 1 A 25 25 MET C C 25 174.379 176.759 -2.380 1
1 305 . 18 1 1 A 25 25 MET CA C 25 54.898 54.113 0.785 1
1 306 . 18 1 1 A 25 25 MET CB C 25 40.260 37.201 3.059 1
1 309 . 18 1 1 A 25 25 MET N N 25 124.403 126.046 -1.643 1
1 310 . 18 1 1 A 26 26 THR H H 26 8.843 8.279 0.564 1
1 311 . 18 1 1 A 26 26 THR HA H 26 4.875 4.666 0.209 1
1 316 . 18 1 1 A 26 26 THR C C 26 170.849 174.037 -3.188 1
1 317 . 18 1 1 A 26 26 THR CA C 26 61.826 62.140 -0.314 1
1 318 . 18 1 1 A 26 26 THR CB C 26 68.846 69.105 -0.259 1
1 320 . 18 1 1 A 26 26 THR N N 26 108.669 112.803 -4.134 1
1 321 . 18 1 1 A 27 27 THR H H 27 7.342 7.855 -0.513 1
1 322 . 18 1 1 A 27 27 THR HA H 27 4.618 4.924 -0.306 1
1 327 . 18 1 1 A 27 27 THR C C 27 166.898 173.263 -6.365 1
1 328 . 18 1 1 A 27 27 THR CA C 27 58.657 59.979 -1.322 1
1 329 . 18 1 1 A 27 27 THR CB C 27 69.696 71.048 -1.352 1
1 331 . 18 1 1 A 27 27 THR N N 27 114.866 115.120 -0.254 1
1 332 . 18 1 1 A 28 28 LYS H H 28 7.638 8.755 -1.117 1
1 333 . 18 1 1 A 28 28 LYS HA H 28 3.991 4.321 -0.330 1
1 342 . 18 1 1 A 28 28 LYS C C 28 173.190 176.878 -3.688 1
1 343 . 18 1 1 A 28 28 LYS CA C 28 55.731 56.514 -0.783 1
1 344 . 18 1 1 A 28 28 LYS CB C 28 32.790 32.569 0.221 1
1 348 . 18 1 1 A 28 28 LYS N N 28 121.283 124.236 -2.953 1
1 349 . 18 1 1 A 29 29 ASP H H 29 8.184 7.705 0.479 1
1 350 . 18 1 1 A 29 29 ASP HA H 29 4.401 4.583 -0.182 1
1 353 . 18 1 1 A 29 29 ASP C C 29 173.830 174.681 -0.851 1
1 354 . 18 1 1 A 29 29 ASP CA C 29 53.979 53.200 0.779 1
1 355 . 18 1 1 A 29 29 ASP CB C 29 40.730 39.807 0.923 1
1 356 . 18 1 1 A 29 29 ASP N N 29 120.231 121.378 -1.147 1
1 357 . 18 1 1 A 30 30 THR H H 30 7.830 8.415 -0.585 1
1 358 . 18 1 1 A 30 30 THR HA H 30 3.742 4.537 -0.795 1
1 363 . 18 1 1 A 30 30 THR C C 30 172.987 173.799 -0.812 1
1 364 . 18 1 1 A 30 30 THR CA C 30 61.299 60.273 1.026 1
1 365 . 18 1 1 A 30 30 THR CB C 30 69.294 67.944 1.350 1
1 367 . 18 1 1 A 30 30 THR N N 30 115.459 120.806 -5.347 1
1 368 . 18 1 1 A 31 31 SER H H 31 8.561 8.248 0.313 1
1 369 . 18 1 1 A 31 31 SER HA H 31 3.875 4.508 -0.633 1
1 372 . 18 1 1 A 31 31 SER CA C 31 63.520 58.474 5.046 1
1 373 . 18 1 1 A 31 31 SER CB C 31 62.332 64.047 -1.715 1
1 374 . 18 1 1 A 31 31 SER N N 31 119.763 122.770 -3.007 1
1 375 . 18 1 1 A 32 32 THR HA H 32 3.961 4.159 -0.198 1
1 380 . 18 1 1 A 32 32 THR C C 32 173.850 176.049 -2.199 1
1 381 . 18 1 1 A 32 32 THR CA C 32 65.447 66.859 -1.412 1
1 382 . 18 1 1 A 32 32 THR CB C 32 68.715 68.725 -0.010 1
1 384 . 18 1 1 A 33 33 LEU H H 33 7.209 7.915 -0.706 1
1 385 . 18 1 1 A 33 33 LEU HA H 33 3.950 3.908 0.042 1
1 395 . 18 1 1 A 33 33 LEU C C 33 174.505 178.662 -4.157 1
1 396 . 18 1 1 A 33 33 LEU CA C 33 57.653 58.444 -0.791 1
1 397 . 18 1 1 A 33 33 LEU CB C 33 42.210 41.216 0.994 1
1 401 . 18 1 1 A 33 33 LEU N N 33 125.158 121.613 3.545 1
1 402 . 18 1 1 A 34 34 LYS H H 34 8.671 7.911 0.760 1
1 403 . 18 1 1 A 34 34 LYS HA H 34 3.552 3.707 -0.155 1
1 412 . 18 1 1 A 34 34 LYS C C 34 174.794 178.915 -4.121 1
1 413 . 18 1 1 A 34 34 LYS CA C 34 61.226 59.561 1.665 1
1 414 . 18 1 1 A 34 34 LYS CB C 34 32.880 32.246 0.634 1
1 418 . 18 1 1 A 34 34 LYS N N 34 119.112 118.487 0.625 1
1 419 . 18 1 1 A 35 35 GLU H H 35 7.813 8.074 -0.261 1
1 420 . 18 1 1 A 35 35 GLU HA H 35 3.863 4.209 -0.346 1
1 425 . 18 1 1 A 35 35 GLU C C 35 176.222 179.320 -3.098 1
1 426 . 18 1 1 A 35 35 GLU CA C 35 59.721 58.971 0.750 1
1 427 . 18 1 1 A 35 35 GLU CB C 35 29.898 29.303 0.595 1
1 429 . 18 1 1 A 35 35 GLU N N 35 116.554 120.578 -4.024 1
1 430 . 18 1 1 A 36 36 LEU H H 36 7.153 7.655 -0.502 1
1 431 . 18 1 1 A 36 36 LEU HA H 36 4.175 3.936 0.239 1
1 441 . 18 1 1 A 36 36 LEU C C 36 177.281 179.161 -1.880 1
1 442 . 18 1 1 A 36 36 LEU CA C 36 58.018 57.935 0.083 1
1 443 . 18 1 1 A 36 36 LEU CB C 36 41.720 41.086 0.634 1
1 447 . 18 1 1 A 36 36 LEU N N 36 119.071 119.094 -0.023 1
1 448 . 18 1 1 A 37 37 LEU H H 37 8.245 8.064 0.181 1
1 449 . 18 1 1 A 37 37 LEU HA H 37 3.749 4.055 -0.306 1
1 459 . 18 1 1 A 37 37 LEU C C 37 177.903 179.014 -1.111 1
1 460 . 18 1 1 A 37 37 LEU CA C 37 58.278 57.759 0.519 1
1 461 . 18 1 1 A 37 37 LEU CB C 37 39.600 40.743 -1.143 1
1 465 . 18 1 1 A 37 37 LEU N N 37 121.326 118.922 2.404 1
1 466 . 18 1 1 A 38 38 GLU H H 38 8.641 8.098 0.543 1
1 467 . 18 1 1 A 38 38 GLU HA H 38 4.320 4.084 0.236 1
1 472 . 18 1 1 A 38 38 GLU C C 38 177.074 179.192 -2.118 1
1 473 . 18 1 1 A 38 38 GLU CA C 38 59.619 59.437 0.182 1
1 474 . 18 1 1 A 38 38 GLU CB C 38 29.850 29.461 0.389 1
1 476 . 18 1 1 A 38 38 GLU N N 38 119.504 119.087 0.417 1
1 477 . 18 1 1 A 39 39 THR H H 39 7.653 7.608 0.045 1
1 478 . 18 1 1 A 39 39 THR HA H 39 4.097 4.058 0.039 1
1 483 . 18 1 1 A 39 39 THR C C 39 173.229 175.290 -2.061 1
1 484 . 18 1 1 A 39 39 THR CA C 39 65.080 64.790 0.290 1
1 485 . 18 1 1 A 39 39 THR CB C 39 69.952 68.372 1.580 1
1 487 . 18 1 1 A 39 39 THR N N 39 110.838 113.622 -2.784 1
1 488 . 18 1 1 A 40 40 TYR H H 40 7.478 7.415 0.063 1
1 489 . 18 1 1 A 40 40 TYR HA H 40 4.073 4.673 -0.600 1
1 496 . 18 1 1 A 40 40 TYR C C 40 172.486 175.121 -2.635 1
1 497 . 18 1 1 A 40 40 TYR CA C 40 61.549 57.227 4.322 1
1 498 . 18 1 1 A 40 40 TYR CB C 40 37.140 38.456 -1.316 1
1 503 . 18 1 1 A 40 40 TYR N N 40 118.654 120.348 -1.694 1
1 504 . 18 1 1 A 41 41 GLN H H 41 7.901 8.132 -0.231 1
1 505 . 18 1 1 A 41 41 GLN HA H 41 3.963 3.914 0.049 1
1 512 . 18 1 1 A 41 41 GLN C C 41 171.223 174.111 -2.888 1
1 513 . 18 1 1 A 41 41 GLN CA C 41 57.158 57.118 0.040 1
1 514 . 18 1 1 A 41 41 GLN CB C 41 27.330 26.265 1.065 1
1 516 . 18 1 1 A 41 41 GLN N N 41 116.315 116.055 0.260 1
1 518 . 18 1 1 A 42 42 ARG H H 42 8.493 7.815 0.678 1
1 519 . 18 1 1 A 42 42 ARG HA H 42 5.052 5.094 -0.042 1
1 527 . 18 1 1 A 42 42 ARG CA C 42 54.040 53.710 0.330 1
1 528 . 18 1 1 A 42 42 ARG CB C 42 30.650 32.532 -1.882 1
1 531 . 18 1 1 A 42 42 ARG N N 42 115.494 115.487 0.007 1
1 533 . 18 1 1 A 43 43 PRO HA H 43 4.390 4.792 -0.402 1
1 540 . 18 1 1 A 43 43 PRO C C 43 172.836 176.317 -3.481 1
1 541 . 18 1 1 A 43 43 PRO CA C 43 63.574 62.843 0.731 1
1 542 . 18 1 1 A 43 43 PRO CB C 43 32.500 33.440 -0.940 1
1 545 . 18 1 1 A 44 44 PHE H H 44 7.742 8.560 -0.818 1
1 546 . 18 1 1 A 44 44 PHE HA H 44 5.281 5.320 -0.039 1
1 554 . 18 1 1 A 44 44 PHE C C 44 170.840 172.302 -1.462 1
1 555 . 18 1 1 A 44 44 PHE CA C 44 56.174 56.238 -0.064 1
1 556 . 18 1 1 A 44 44 PHE CB C 44 42.280 41.360 0.920 1
1 562 . 18 1 1 A 44 44 PHE N N 44 115.046 117.240 -2.194 1
1 563 . 18 1 1 A 45 45 LYS H H 45 8.944 8.856 0.088 1
1 564 . 18 1 1 A 45 45 LYS HA H 45 4.641 5.017 -0.376 1
1 573 . 18 1 1 A 45 45 LYS C C 45 171.934 174.777 -2.843 1
1 574 . 18 1 1 A 45 45 LYS CA C 45 55.210 54.835 0.375 1
1 575 . 18 1 1 A 45 45 LYS CB C 45 35.600 35.383 0.217 1
1 579 . 18 1 1 A 45 45 LYS N N 45 121.090 121.207 -0.117 1
1 580 . 18 1 1 A 46 46 LEU H H 46 8.897 8.746 0.151 1
1 581 . 18 1 1 A 46 46 LEU HA H 46 5.332 5.157 0.175 1
1 590 . 18 1 1 A 46 46 LEU C C 46 172.666 174.917 -2.251 1
1 591 . 18 1 1 A 46 46 LEU CA C 46 54.510 54.546 -0.036 1
1 592 . 18 1 1 A 46 46 LEU CB C 46 44.620 43.758 0.862 1
1 595 . 18 1 1 A 46 46 LEU N N 46 128.615 128.792 -0.177 1
1 596 . 18 1 1 A 47 47 GLU H H 47 9.220 9.389 -0.169 1
1 597 . 18 1 1 A 47 47 GLU HA H 47 4.911 5.162 -0.251 1
1 602 . 18 1 1 A 47 47 GLU C C 47 172.392 174.672 -2.280 1
1 603 . 18 1 1 A 47 47 GLU CA C 47 54.980 54.372 0.608 1
1 604 . 18 1 1 A 47 47 GLU CB C 47 34.490 33.209 1.281 1
1 606 . 18 1 1 A 47 47 GLU N N 47 125.300 125.592 -0.292 1
1 607 . 18 1 1 A 48 48 PHE H H 48 9.157 9.163 -0.006 1
1 608 . 18 1 1 A 48 48 PHE HA H 48 4.302 4.956 -0.654 1
1 616 . 18 1 1 A 48 48 PHE C C 48 171.971 174.571 -2.600 1
1 617 . 18 1 1 A 48 48 PHE CA C 48 58.240 56.760 1.480 1
1 618 . 18 1 1 A 48 48 PHE CB C 48 39.410 40.037 -0.627 1
1 624 . 18 1 1 A 48 48 PHE N N 48 126.911 124.623 2.288 1
1 625 . 18 1 1 A 49 49 LYS H H 49 8.256 8.753 -0.497 1
1 626 . 18 1 1 A 49 49 LYS HA H 49 4.176 4.133 0.043 1
1 635 . 18 1 1 A 49 49 LYS C C 49 172.030 175.998 -3.968 1
1 636 . 18 1 1 A 49 49 LYS CA C 49 55.244 57.856 -2.612 1
1 637 . 18 1 1 A 49 49 LYS CB C 49 32.640 32.916 -0.276 1
1 641 . 18 1 1 A 49 49 LYS N N 49 127.526 127.717 -0.191 1
1 642 . 18 1 1 A 50 50 ASN H H 50 7.062 6.991 0.071 1
1 643 . 18 1 1 A 50 50 ASN HA H 50 4.353 4.697 -0.344 1
1 648 . 18 1 1 A 50 50 ASN C C 50 171.278 172.363 -1.085 1
1 649 . 18 1 1 A 50 50 ASN CA C 50 53.807 52.286 1.521 1
1 650 . 18 1 1 A 50 50 ASN CB C 50 40.460 41.458 -0.998 1
1 651 . 18 1 1 A 50 50 ASN N N 50 115.764 112.138 3.626 1
1 653 . 18 1 1 A 51 51 THR H H 51 8.217 8.616 -0.399 1
1 654 . 18 1 1 A 51 51 THR HA H 51 4.685 4.842 -0.157 1
1 659 . 18 1 1 A 51 51 THR C C 51 171.816 173.484 -1.668 1
1 660 . 18 1 1 A 51 51 THR CA C 51 61.243 60.970 0.273 1
1 661 . 18 1 1 A 51 51 THR CB C 51 70.632 70.817 -0.185 1
1 663 . 18 1 1 A 51 51 THR N N 51 114.341 116.330 -1.989 1
1 664 . 18 1 1 A 52 52 SER H H 52 8.314 8.855 -0.541 1
1 665 . 18 1 1 A 52 52 SER HA H 52 4.395 4.551 -0.156 1
1 668 . 18 1 1 A 52 52 SER CA C 52 58.470 57.238 1.232 1
1 669 . 18 1 1 A 52 52 SER CB C 52 64.580 62.180 2.400 1
1 670 . 18 1 1 A 52 52 SER N N 52 118.503 123.702 -5.199 1
1 671 . 18 1 1 A 54 54 ASN HA H 54 4.484 4.796 -0.312 1
1 676 . 18 1 1 A 54 54 ASN C C 54 171.753 174.391 -2.638 1
1 677 . 18 1 1 A 54 54 ASN CA C 54 53.296 52.874 0.422 1
1 678 . 18 1 1 A 54 54 ASN CB C 54 38.080 38.429 -0.349 1
1 680 . 18 1 1 A 55 55 ALA H H 55 7.927 7.745 0.182 1
1 681 . 18 1 1 A 55 55 ALA HA H 55 3.759 4.444 -0.685 1
1 685 . 18 1 1 A 55 55 ALA C C 55 173.386 176.999 -3.613 1
1 686 . 18 1 1 A 55 55 ALA CA C 55 53.266 53.268 -0.002 1
1 687 . 18 1 1 A 55 55 ALA CB C 55 18.180 18.125 0.055 1
1 688 . 18 1 1 A 55 55 ALA N N 55 120.429 120.066 0.363 1
1 689 . 18 1 1 A 56 56 LYS H H 56 7.426 7.518 -0.092 1
1 690 . 18 1 1 A 56 56 LYS HA H 56 3.919 3.772 0.147 1
1 702 . 18 1 1 A 56 56 LYS C C 56 172.612 175.521 -2.909 1
1 703 . 18 1 1 A 56 56 LYS CA C 56 57.113 57.769 -0.656 1
1 704 . 18 1 1 A 56 56 LYS CB C 56 33.566 33.313 0.253 1
1 708 . 18 1 1 A 56 56 LYS N N 56 116.392 117.724 -1.332 1
1 710 . 18 1 1 A 57 57 PHE H H 57 7.253 7.498 -0.245 1
1 711 . 18 1 1 A 57 57 PHE HA H 57 5.062 5.212 -0.150 1
1 719 . 18 1 1 A 57 57 PHE C C 57 171.527 173.954 -2.427 1
1 720 . 18 1 1 A 57 57 PHE CA C 57 54.920 56.534 -1.614 1
1 721 . 18 1 1 A 57 57 PHE CB C 57 41.910 42.606 -0.696 1
1 727 . 18 1 1 A 57 57 PHE N N 57 113.835 115.763 -1.928 1
1 728 . 18 1 1 A 58 58 TYR H H 58 9.172 9.410 -0.238 1
1 729 . 18 1 1 A 58 58 TYR HA H 58 4.746 5.117 -0.371 1
1 736 . 18 1 1 A 58 58 TYR C C 58 171.294 174.814 -3.520 1
1 737 . 18 1 1 A 58 58 TYR CA C 58 57.770 56.321 1.449 1
1 738 . 18 1 1 A 58 58 TYR CB C 58 41.784 41.459 0.325 1
1 743 . 18 1 1 A 58 58 TYR N N 58 121.139 121.422 -0.283 1
1 744 . 18 1 1 A 59 59 SER H H 59 8.786 8.589 0.197 1
1 745 . 18 1 1 A 59 59 SER HA H 59 5.399 5.165 0.234 1
1 748 . 18 1 1 A 59 59 SER C C 59 170.105 173.774 -3.669 1
1 749 . 18 1 1 A 59 59 SER CA C 59 57.650 56.815 0.835 1
1 750 . 18 1 1 A 59 59 SER CB C 59 65.220 64.284 0.936 1
1 751 . 18 1 1 A 59 59 SER N N 59 118.511 118.841 -0.330 1
1 752 . 18 1 1 A 60 60 PHE H H 60 9.389 9.618 -0.229 1
1 753 . 18 1 1 A 60 60 PHE HA H 60 5.210 5.523 -0.313 1
1 761 . 18 1 1 A 60 60 PHE C C 60 172.188 174.766 -2.578 1
1 762 . 18 1 1 A 60 60 PHE CA C 60 56.824 56.497 0.327 1
1 763 . 18 1 1 A 60 60 PHE CB C 60 43.645 42.279 1.366 1
1 769 . 18 1 1 A 60 60 PHE N N 60 121.864 123.797 -1.933 1
1 770 . 18 1 1 A 61 61 ASN H H 61 9.448 9.274 0.174 1
1 771 . 18 1 1 A 61 61 ASN HA H 61 5.564 5.662 -0.098 1
1 776 . 18 1 1 A 61 61 ASN C C 61 171.756 173.782 -2.026 1
1 777 . 18 1 1 A 61 61 ASN CA C 61 53.012 52.275 0.737 1
1 778 . 18 1 1 A 61 61 ASN CB C 61 42.580 42.199 0.381 1
1 779 . 18 1 1 A 61 61 ASN N N 61 121.107 119.205 1.902 1
1 781 . 18 1 1 A 62 62 VAL H H 62 9.361 9.443 -0.082 1
1 782 . 18 1 1 A 62 62 VAL HA H 62 5.159 5.070 0.089 1
1 790 . 18 1 1 A 62 62 VAL C C 62 171.964 174.782 -2.818 1
1 791 . 18 1 1 A 62 62 VAL CA C 62 60.991 61.312 -0.321 1
1 792 . 18 1 1 A 62 62 VAL CB C 62 35.350 33.614 1.736 1
1 795 . 18 1 1 A 62 62 VAL N N 62 126.781 126.529 0.252 1
1 796 . 18 1 1 A 63 63 SER H H 63 8.750 8.957 -0.207 1
1 797 . 18 1 1 A 63 63 SER HA H 63 5.955 6.006 -0.051 1
1 800 . 18 1 1 A 63 63 SER C C 63 171.905 173.766 -1.861 1
1 801 . 18 1 1 A 63 63 SER CA C 63 56.587 56.880 -0.293 1
1 802 . 18 1 1 A 63 63 SER CB C 63 65.231 64.347 0.884 1
1 803 . 18 1 1 A 63 63 SER N N 63 120.886 122.143 -1.257 1
1 804 . 18 1 1 A 64 64 MET H H 64 8.918 9.005 -0.087 1
1 805 . 18 1 1 A 64 64 MET HA H 64 4.622 5.388 -0.766 1
1 813 . 18 1 1 A 64 64 MET C C 64 170.352 175.288 -4.936 1
1 814 . 18 1 1 A 64 64 MET CA C 64 55.950 53.643 2.307 1
1 815 . 18 1 1 A 64 64 MET CB C 64 38.000 35.898 2.102 1
1 818 . 18 1 1 A 64 64 MET N N 64 123.839 123.031 0.808 1
1 819 . 18 1 1 A 65 65 GLU H H 65 9.213 8.538 0.675 1
1 820 . 18 1 1 A 65 65 GLU HA H 65 4.740 4.799 -0.059 1
1 825 . 18 1 1 A 65 65 GLU C C 65 172.659 176.454 -3.795 1
1 826 . 18 1 1 A 65 65 GLU CA C 65 57.547 56.726 0.821 1
1 827 . 18 1 1 A 65 65 GLU CB C 65 31.100 30.150 0.950 1
1 829 . 18 1 1 A 65 65 GLU N N 65 125.938 120.070 5.868 1
1 830 . 18 1 1 A 66 66 VAL H H 66 9.031 8.943 0.088 1
1 831 . 18 1 1 A 66 66 VAL HA H 66 4.632 4.885 -0.253 1
1 839 . 18 1 1 A 66 66 VAL C C 66 174.252 175.865 -1.613 1
1 840 . 18 1 1 A 66 66 VAL CA C 66 59.454 60.059 -0.605 1
1 841 . 18 1 1 A 66 66 VAL CB C 66 35.450 34.904 0.546 1
1 844 . 18 1 1 A 66 66 VAL N N 66 117.398 118.645 -1.247 1
1 845 . 18 1 1 A 67 67 SER H H 67 9.309 9.232 0.077 1
1 846 . 18 1 1 A 67 67 SER HA H 67 4.185 4.560 -0.375 1
1 849 . 18 1 1 A 67 67 SER C C 67 170.646 174.489 -3.843 1
1 850 . 18 1 1 A 67 67 SER CA C 67 61.719 59.686 2.033 1
1 851 . 18 1 1 A 67 67 SER CB C 67 64.540 64.313 0.227 1
1 852 . 18 1 1 A 67 67 SER N N 67 116.754 118.246 -1.492 1
1 853 . 18 1 1 A 68 68 ASN H H 68 7.279 7.771 -0.492 1
1 854 . 18 1 1 A 68 68 ASN HA H 68 3.345 4.538 -1.193 1
1 859 . 18 1 1 A 68 68 ASN C C 68 170.781 175.121 -4.340 1
1 860 . 18 1 1 A 68 68 ASN CA C 68 51.758 52.114 -0.356 1
1 861 . 18 1 1 A 68 68 ASN CB C 68 38.809 39.569 -0.760 1
1 862 . 18 1 1 A 68 68 ASN N N 68 110.062 115.388 -5.326 1
1 864 . 18 1 1 A 69 69 GLU H H 69 8.126 8.355 -0.229 1
1 865 . 18 1 1 A 69 69 GLU HA H 69 3.337 3.968 -0.631 1
1 870 . 18 1 1 A 69 69 GLU C C 69 174.537 178.448 -3.911 1
1 871 . 18 1 1 A 69 69 GLU CA C 69 59.749 58.397 1.352 1
1 872 . 18 1 1 A 69 69 GLU CB C 69 30.250 29.210 1.040 1
1 874 . 18 1 1 A 69 69 GLU N N 69 120.604 119.676 0.928 1
1 875 . 18 1 1 A 70 70 SER H H 70 7.981 7.788 0.193 1
1 876 . 18 1 1 A 70 70 SER HA H 70 4.030 4.047 -0.017 1
1 879 . 18 1 1 A 70 70 SER C C 70 174.715 177.056 -2.341 1
1 880 . 18 1 1 A 70 70 SER CA C 70 62.097 61.692 0.405 1
1 881 . 18 1 1 A 70 70 SER CB C 70 62.350 62.817 -0.467 1
1 882 . 18 1 1 A 70 70 SER N N 70 114.770 117.166 -2.396 1
1 883 . 18 1 1 A 71 71 GLU H H 71 8.572 7.607 0.965 1
1 884 . 18 1 1 A 71 71 GLU HA H 71 3.927 4.122 -0.195 1
1 889 . 18 1 1 A 71 71 GLU C C 71 174.769 179.533 -4.764 1
1 890 . 18 1 1 A 71 71 GLU CA C 71 59.849 59.350 0.499 1
1 891 . 18 1 1 A 71 71 GLU CB C 71 30.950 29.152 1.798 1
1 893 . 18 1 1 A 71 71 GLU N N 71 124.163 122.140 2.023 1
1 894 . 18 1 1 A 72 72 ARG H H 72 7.797 7.603 0.194 1
1 895 . 18 1 1 A 72 72 ARG HA H 72 3.776 4.668 -0.892 1
1 900 . 18 1 1 A 72 72 ARG C C 72 177.552 178.299 -0.747 1
1 901 . 18 1 1 A 72 72 ARG CA C 72 58.680 58.965 -0.285 1
1 902 . 18 1 1 A 72 72 ARG CB C 72 30.110 30.024 0.086 1
1 905 . 18 1 1 A 72 72 ARG N N 72 118.396 120.919 -2.523 1
1 906 . 18 1 1 A 73 73 ASN H H 73 8.175 7.647 0.528 1
1 907 . 18 1 1 A 73 73 ASN HA H 73 4.461 4.637 -0.176 1
1 912 . 18 1 1 A 73 73 ASN C C 73 174.089 177.868 -3.779 1
1 913 . 18 1 1 A 73 73 ASN CA C 73 55.500 55.520 -0.020 1
1 914 . 18 1 1 A 73 73 ASN CB C 73 37.844 38.823 -0.979 1
1 915 . 18 1 1 A 73 73 ASN N N 73 118.156 116.963 1.193 1
1 917 . 18 1 1 A 74 74 GLU H H 74 8.473 8.326 0.147 1
1 918 . 18 1 1 A 74 74 GLU HA H 74 3.954 4.228 -0.274 1
1 923 . 18 1 1 A 74 74 GLU C C 74 175.719 179.292 -3.573 1
1 924 . 18 1 1 A 74 74 GLU CA C 74 60.093 59.148 0.945 1
1 925 . 18 1 1 A 74 74 GLU CB C 74 30.460 29.598 0.862 1
1 927 . 18 1 1 A 74 74 GLU N N 74 124.825 120.043 4.782 1
1 928 . 18 1 1 A 75 75 ILE H H 75 8.273 8.463 -0.190 1
1 929 . 18 1 1 A 75 75 ILE HA H 75 3.229 3.668 -0.439 1
1 939 . 18 1 1 A 75 75 ILE C C 75 174.591 177.983 -3.392 1
1 940 . 18 1 1 A 75 75 ILE CA C 75 66.460 65.345 1.115 1
1 941 . 18 1 1 A 75 75 ILE CB C 75 38.262 37.531 0.731 1
1 945 . 18 1 1 A 75 75 ILE N N 75 120.282 120.377 -0.095 1
1 946 . 18 1 1 A 76 76 PHE H H 76 7.233 8.532 -1.299 1
1 947 . 18 1 1 A 76 76 PHE HA H 76 3.600 4.113 -0.513 1
1 955 . 18 1 1 A 76 76 PHE C C 76 175.036 177.995 -2.959 1
1 956 . 18 1 1 A 76 76 PHE CA C 76 62.227 61.501 0.726 1
1 957 . 18 1 1 A 76 76 PHE CB C 76 40.170 39.629 0.541 1
1 963 . 18 1 1 A 76 76 PHE N N 76 117.265 120.690 -3.425 1
1 964 . 18 1 1 A 77 77 GLN H H 77 8.262 8.304 -0.042 1
1 965 . 18 1 1 A 77 77 GLN HA H 77 3.753 3.871 -0.118 1
1 972 . 18 1 1 A 77 77 GLN C C 77 176.132 178.792 -2.660 1
1 973 . 18 1 1 A 77 77 GLN CA C 77 59.113 59.464 -0.351 1
1 974 . 18 1 1 A 77 77 GLN CB C 77 28.487 28.497 -0.010 1
1 976 . 18 1 1 A 77 77 GLN N N 77 118.919 118.251 0.668 1
1 978 . 18 1 1 A 78 78 LYS H H 78 8.508 8.024 0.484 1
1 979 . 18 1 1 A 78 78 LYS HA H 78 3.804 4.125 -0.321 1
1 988 . 18 1 1 A 78 78 LYS C C 78 177.438 179.341 -1.903 1
1 989 . 18 1 1 A 78 78 LYS CA C 78 60.107 59.370 0.737 1
1 990 . 18 1 1 A 78 78 LYS CB C 78 33.160 32.623 0.537 1
1 994 . 18 1 1 A 78 78 LYS N N 78 119.345 119.632 -0.287 1
1 995 . 18 1 1 A 79 79 ILE H H 79 8.395 8.071 0.324 1
1 996 . 18 1 1 A 79 79 ILE HA H 79 3.182 3.710 -0.528 1
1 1006 . 18 1 1 A 79 79 ILE C C 79 174.721 177.690 -2.969 1
1 1007 . 18 1 1 A 79 79 ILE CA C 79 66.280 64.964 1.316 1
1 1008 . 18 1 1 A 79 79 ILE CB C 79 38.360 37.422 0.938 1
1 1012 . 18 1 1 A 79 79 ILE N N 79 120.117 120.708 -0.591 1
1 1013 . 18 1 1 A 80 80 SER H H 80 7.459 7.832 -0.373 1
1 1014 . 18 1 1 A 80 80 SER HA H 80 3.868 4.262 -0.394 1
1 1017 . 18 1 1 A 80 80 SER C C 80 171.998 175.225 -3.227 1
1 1018 . 18 1 1 A 80 80 SER CA C 80 61.444 60.803 0.641 1
1 1019 . 18 1 1 A 80 80 SER CB C 80 63.500 63.295 0.205 1
1 1020 . 18 1 1 A 80 80 SER N N 80 110.857 117.672 -6.815 1
1 1021 . 18 1 1 A 81 81 GLN H H 81 7.095 7.750 -0.655 1
1 1022 . 18 1 1 A 81 81 GLN HA H 81 4.143 4.240 -0.097 1
1 1029 . 18 1 1 A 81 81 GLN C C 81 173.743 176.887 -3.144 1
1 1030 . 18 1 1 A 81 81 GLN CA C 81 55.894 56.843 -0.949 1
1 1031 . 18 1 1 A 81 81 GLN CB C 81 29.390 28.486 0.904 1
1 1033 . 18 1 1 A 81 81 GLN N N 81 117.056 119.049 -1.993 1
1 1035 . 18 1 1 A 82 82 LEU H H 82 7.495 7.658 -0.163 1
1 1036 . 18 1 1 A 82 82 LEU HA H 82 4.064 4.147 -0.083 1
1 1046 . 18 1 1 A 82 82 LEU C C 82 175.685 176.691 -1.006 1
1 1047 . 18 1 1 A 82 82 LEU CA C 82 55.730 55.466 0.264 1
1 1048 . 18 1 1 A 82 82 LEU CB C 82 41.740 42.349 -0.609 1
1 1052 . 18 1 1 A 82 82 LEU N N 82 123.191 119.129 4.062 1
1 1053 . 18 1 1 A 83 83 ASP H H 83 8.330 8.238 0.092 1
1 1054 . 18 1 1 A 83 83 ASP HA H 83 4.260 4.465 -0.205 1
1 1057 . 18 1 1 A 83 83 ASP C C 83 174.543 176.419 -1.876 1
1 1058 . 18 1 1 A 83 83 ASP CA C 83 57.056 55.725 1.331 1
1 1059 . 18 1 1 A 83 83 ASP CB C 83 41.590 40.600 0.990 1
1 1060 . 18 1 1 A 83 83 ASP N N 83 122.600 118.854 3.746 1
1 1061 . 18 1 1 A 84 84 LYS H H 84 8.152 8.296 -0.144 1
1 1062 . 18 1 1 A 84 84 LYS HA H 84 4.060 4.414 -0.354 1
1 1071 . 18 1 1 A 84 84 LYS C C 84 172.461 175.865 -3.404 1
1 1072 . 18 1 1 A 84 84 LYS CA C 84 57.301 57.467 -0.166 1
1 1073 . 18 1 1 A 84 84 LYS CB C 84 31.140 32.318 -1.178 1
1 1077 . 18 1 1 A 84 84 LYS N N 84 113.797 115.020 -1.223 1
1 1078 . 18 1 1 A 85 85 VAL H H 85 7.290 7.456 -0.166 1
1 1079 . 18 1 1 A 85 85 VAL HA H 85 4.230 4.421 -0.191 1
1 1087 . 18 1 1 A 85 85 VAL C C 85 173.934 176.133 -2.199 1
1 1088 . 18 1 1 A 85 85 VAL CA C 85 63.300 61.256 2.044 1
1 1089 . 18 1 1 A 85 85 VAL CB C 85 32.320 33.166 -0.846 1
1 1092 . 18 1 1 A 85 85 VAL N N 85 118.733 120.018 -1.285 1
1 1093 . 18 1 1 A 86 86 VAL H H 86 9.093 9.090 0.003 1
1 1094 . 18 1 1 A 86 86 VAL HA H 86 4.165 4.480 -0.315 1
1 1102 . 18 1 1 A 86 86 VAL C C 86 173.235 175.527 -2.292 1
1 1103 . 18 1 1 A 86 86 VAL CA C 86 62.144 62.040 0.104 1
1 1104 . 18 1 1 A 86 86 VAL CB C 86 33.397 33.370 0.027 1
1 1107 . 18 1 1 A 86 86 VAL N N 86 125.341 123.781 1.560 1
1 1108 . 18 1 1 A 87 87 GLN H H 87 7.727 7.217 0.510 1
1 1109 . 18 1 1 A 87 87 GLN HA H 87 4.437 4.819 -0.382 1
1 1114 . 18 1 1 A 87 87 GLN C C 87 170.954 174.032 -3.078 1
1 1115 . 18 1 1 A 87 87 GLN CA C 87 56.370 55.624 0.746 1
1 1116 . 18 1 1 A 87 87 GLN CB C 87 32.420 32.265 0.155 1
1 1118 . 18 1 1 A 87 87 GLN N N 87 119.469 120.932 -1.463 1
1 1119 . 18 1 1 A 88 88 THR H H 88 8.087 8.891 -0.804 1
1 1120 . 18 1 1 A 88 88 THR HA H 88 4.857 5.464 -0.607 1
1 1125 . 18 1 1 A 88 88 THR CA C 88 61.850 60.661 1.189 1
1 1126 . 18 1 1 A 88 88 THR CB C 88 69.900 70.735 -0.835 1
1 1128 . 18 1 1 A 88 88 THR N N 88 119.679 116.409 3.270 1
1 1129 . 18 1 1 A 89 89 LEU HA H 89 4.851 5.124 -0.273 1
1 1139 . 18 1 1 A 89 89 LEU C C 89 174.211 176.963 -2.752 1
1 1140 . 18 1 1 A 89 89 LEU CA C 89 54.590 53.309 1.281 1
1 1141 . 18 1 1 A 89 89 LEU CB C 89 44.176 43.514 0.662 1
1 1145 . 18 1 1 A 90 90 GLY H H 90 8.697 9.055 -0.358 1
1 1146 . 18 1 1 A 90 90 GLY HA2 H 90 4.181 4.276 -0.095 1
1 1147 . 18 1 1 A 90 90 GLY HA3 H 90 4.267 4.448 -0.181 1
1 1148 . 18 1 1 A 90 90 GLY C C 90 170.516 174.326 -3.810 1
1 1149 . 18 1 1 A 90 90 GLY CA C 90 45.810 45.587 0.223 1
1 1150 . 18 1 1 A 90 90 GLY N N 90 109.859 114.031 -4.172 1
1 1 . 19 1 1 A 2 2 GLY HA2 H 2 3.721 3.848 -0.127 1
1 2 . 19 1 1 A 2 2 GLY HA3 H 2 3.721 3.851 -0.130 1
1 3 . 19 1 1 A 2 2 GLY CA C 2 43.440 47.390 -3.950 1
1 4 . 19 1 1 A 3 3 HIS HA H 3 4.602 5.182 -0.580 1
1 9 . 19 1 1 A 3 3 HIS C C 3 172.383 173.838 -1.455 1
1 10 . 19 1 1 A 3 3 HIS CA C 3 56.270 55.259 1.011 1
1 11 . 19 1 1 A 3 3 HIS CB C 3 30.850 33.159 -2.309 1
1 14 . 19 1 1 A 4 4 MET H H 4 8.397 8.448 -0.051 1
1 15 . 19 1 1 A 4 4 MET HA H 4 4.720 4.245 0.475 1
1 23 . 19 1 1 A 4 4 MET CA C 4 53.410 54.704 -1.294 1
1 24 . 19 1 1 A 4 4 MET CB C 4 32.550 32.094 0.456 1
1 27 . 19 1 1 A 4 4 MET N N 4 123.715 126.086 -2.371 1
1 28 . 19 1 1 A 5 5 PRO HA H 5 4.340 4.388 -0.048 1
1 35 . 19 1 1 A 5 5 PRO C C 5 174.369 176.533 -2.164 1
1 36 . 19 1 1 A 5 5 PRO CA C 5 63.686 64.307 -0.621 1
1 37 . 19 1 1 A 5 5 PRO CB C 5 32.430 31.905 0.525 1
1 40 . 19 1 1 A 6 6 SER H H 6 8.337 7.955 0.382 1
1 41 . 19 1 1 A 6 6 SER HA H 6 4.299 4.096 0.203 1
1 44 . 19 1 1 A 6 6 SER C C 6 171.770 173.094 -1.324 1
1 45 . 19 1 1 A 6 6 SER CA C 6 58.800 59.251 -0.451 1
1 46 . 19 1 1 A 6 6 SER CB C 6 63.896 61.030 2.866 1
1 47 . 19 1 1 A 6 6 SER N N 6 115.479 112.841 2.638 1
1 48 . 19 1 1 A 7 7 ASP H H 7 8.269 8.139 0.130 1
1 49 . 19 1 1 A 7 7 ASP HA H 7 4.545 4.606 -0.061 1
1 52 . 19 1 1 A 7 7 ASP C C 7 173.646 175.122 -1.476 1
1 53 . 19 1 1 A 7 7 ASP CA C 7 54.571 53.688 0.883 1
1 54 . 19 1 1 A 7 7 ASP CB C 7 41.353 39.569 1.784 1
1 55 . 19 1 1 A 7 7 ASP N N 7 122.367 121.034 1.333 1
1 56 . 19 1 1 A 8 8 SER H H 8 8.126 8.095 0.031 1
1 57 . 19 1 1 A 8 8 SER HA H 8 4.337 5.250 -0.913 1
1 60 . 19 1 1 A 8 8 SER C C 8 171.792 172.969 -1.177 1
1 61 . 19 1 1 A 8 8 SER CA C 8 58.950 57.165 1.785 1
1 62 . 19 1 1 A 8 8 SER CB C 8 64.140 64.609 -0.469 1
1 63 . 19 1 1 A 8 8 SER N N 8 116.038 117.728 -1.690 1
1 64 . 19 1 1 A 9 9 LYS H H 9 8.400 8.776 -0.376 1
1 65 . 19 1 1 A 9 9 LYS HA H 9 4.225 4.648 -0.423 1
1 74 . 19 1 1 A 9 9 LYS C C 9 173.626 175.409 -1.783 1
1 75 . 19 1 1 A 9 9 LYS CA C 9 56.391 54.858 1.533 1
1 76 . 19 1 1 A 9 9 LYS CB C 9 32.970 34.970 -2.000 1
1 80 . 19 1 1 A 9 9 LYS N N 9 122.400 126.047 -3.647 1
1 81 . 19 1 1 A 10 10 LYS H H 10 8.180 8.809 -0.629 1
1 82 . 19 1 1 A 10 10 LYS HA H 10 4.493 4.407 0.086 1
1 91 . 19 1 1 A 10 10 LYS CA C 10 54.500 57.321 -2.821 1
1 92 . 19 1 1 A 10 10 LYS CB C 10 32.750 31.516 1.234 1
1 96 . 19 1 1 A 10 10 LYS N N 10 123.900 117.588 6.312 1
1 97 . 19 1 1 A 11 11 PRO HA H 11 4.404 4.485 -0.081 1
1 104 . 19 1 1 A 11 11 PRO C C 11 174.099 176.831 -2.732 1
1 105 . 19 1 1 A 11 11 PRO CA C 11 63.451 63.337 0.114 1
1 106 . 19 1 1 A 11 11 PRO CB C 11 32.405 31.561 0.844 1
1 109 . 19 1 1 A 12 12 THR H H 12 8.277 8.371 -0.094 1
1 110 . 19 1 1 A 12 12 THR HA H 12 4.156 4.422 -0.266 1
1 115 . 19 1 1 A 12 12 THR C C 12 171.255 174.192 -2.937 1
1 116 . 19 1 1 A 12 12 THR CA C 12 62.829 63.158 -0.329 1
1 117 . 19 1 1 A 12 12 THR CB C 12 70.113 69.157 0.956 1
1 119 . 19 1 1 A 12 12 THR N N 12 116.775 118.352 -1.577 1
1 120 . 19 1 1 A 13 13 ILE H H 13 8.141 9.293 -1.152 1
1 121 . 19 1 1 A 13 13 ILE HA H 13 3.880 4.663 -0.783 1
1 131 . 19 1 1 A 13 13 ILE C C 13 171.936 175.435 -3.499 1
1 132 . 19 1 1 A 13 13 ILE CA C 13 61.000 59.815 1.185 1
1 133 . 19 1 1 A 13 13 ILE CB C 13 38.957 39.824 -0.867 1
1 137 . 19 1 1 A 13 13 ILE N N 13 126.554 128.295 -1.741 1
1 138 . 19 1 1 A 14 14 ILE H H 14 7.890 8.614 -0.724 1
1 139 . 19 1 1 A 14 14 ILE HA H 14 4.045 4.563 -0.518 1
1 149 . 19 1 1 A 14 14 ILE C C 14 171.624 175.076 -3.452 1
1 150 . 19 1 1 A 14 14 ILE CA C 14 60.132 60.789 -0.657 1
1 151 . 19 1 1 A 14 14 ILE CB C 14 38.760 36.982 1.778 1
1 155 . 19 1 1 A 14 14 ILE N N 14 127.503 129.011 -1.508 1
1 156 . 19 1 1 A 15 15 TYR H H 15 8.185 8.684 -0.499 1
1 165 . 19 1 1 A 15 15 TYR N N 15 123.664 128.205 -4.541 1
1 166 . 19 1 1 A 16 16 PRO HA H 16 5.087 5.379 -0.292 1
1 173 . 19 1 1 A 16 16 PRO C C 16 172.702 175.087 -2.385 1
1 174 . 19 1 1 A 16 16 PRO CA C 16 62.891 62.771 0.120 1
1 175 . 19 1 1 A 16 16 PRO CB C 16 36.288 32.543 3.745 1
1 178 . 19 1 1 A 17 17 CYS H H 17 8.579 8.649 -0.070 1
1 179 . 19 1 1 A 17 17 CYS HA H 17 4.924 4.909 0.015 1
1 182 . 19 1 1 A 17 17 CYS C C 17 169.725 173.709 -3.984 1
1 183 . 19 1 1 A 17 17 CYS CA C 17 55.925 57.794 -1.869 1
1 184 . 19 1 1 A 17 17 CYS CB C 17 31.200 32.025 -0.825 1
1 185 . 19 1 1 A 17 17 CYS N N 17 114.797 119.666 -4.869 1
1 186 . 19 1 1 A 18 18 LEU H H 18 8.449 8.432 0.017 1
1 187 . 19 1 1 A 18 18 LEU HA H 18 4.336 4.704 -0.368 1
1 197 . 19 1 1 A 18 18 LEU C C 18 172.529 175.888 -3.359 1
1 198 . 19 1 1 A 18 18 LEU CA C 18 55.600 54.693 0.907 1
1 199 . 19 1 1 A 18 18 LEU CB C 18 42.550 42.417 0.133 1
1 203 . 19 1 1 A 18 18 LEU N N 18 122.242 123.279 -1.037 1
1 204 . 19 1 1 A 19 19 TRP H H 19 9.079 9.106 -0.027 1
1 205 . 19 1 1 A 19 19 TRP HA H 19 4.300 5.315 -1.015 1
1 214 . 19 1 1 A 19 19 TRP C C 19 170.195 173.879 -3.684 1
1 215 . 19 1 1 A 19 19 TRP CA C 19 56.750 55.465 1.285 1
1 216 . 19 1 1 A 19 19 TRP CB C 19 33.935 33.150 0.785 1
1 222 . 19 1 1 A 19 19 TRP N N 19 130.082 126.992 3.090 1
1 224 . 19 1 1 A 20 20 ASP H H 20 6.314 8.604 -2.290 1
1 225 . 19 1 1 A 20 20 ASP HA H 20 5.559 5.449 0.110 1
1 228 . 19 1 1 A 20 20 ASP C C 20 172.285 174.830 -2.545 1
1 229 . 19 1 1 A 20 20 ASP CA C 20 52.900 53.546 -0.646 1
1 230 . 19 1 1 A 20 20 ASP CB C 20 43.450 42.534 0.916 1
1 231 . 19 1 1 A 20 20 ASP N N 20 122.801 126.230 -3.429 1
1 232 . 19 1 1 A 21 21 TYR H H 21 9.519 9.744 -0.225 1
1 233 . 19 1 1 A 21 21 TYR HA H 21 4.975 5.337 -0.362 1
1 240 . 19 1 1 A 21 21 TYR C C 21 172.202 174.830 -2.628 1
1 241 . 19 1 1 A 21 21 TYR CA C 21 56.910 56.559 0.351 1
1 242 . 19 1 1 A 21 21 TYR CB C 21 40.850 40.397 0.453 1
1 247 . 19 1 1 A 21 21 TYR N N 21 120.749 122.180 -1.431 1
1 248 . 19 1 1 A 22 22 ARG H H 22 8.758 8.621 0.137 1
1 249 . 19 1 1 A 22 22 ARG HA H 22 5.189 4.719 0.470 1
1 256 . 19 1 1 A 22 22 ARG C C 22 172.210 175.092 -2.882 1
1 257 . 19 1 1 A 22 22 ARG CA C 22 55.180 56.351 -1.171 1
1 258 . 19 1 1 A 22 22 ARG CB C 22 31.360 30.637 0.723 1
1 261 . 19 1 1 A 22 22 ARG N N 22 124.405 125.704 -1.299 1
1 262 . 19 1 1 A 23 23 VAL H H 23 9.170 9.326 -0.156 1
1 263 . 19 1 1 A 23 23 VAL HA H 23 4.591 4.752 -0.161 1
1 271 . 19 1 1 A 23 23 VAL C C 23 171.354 174.975 -3.621 1
1 272 . 19 1 1 A 23 23 VAL CA C 23 61.836 61.659 0.177 1
1 273 . 19 1 1 A 23 23 VAL CB C 23 35.725 33.123 2.602 1
1 276 . 19 1 1 A 23 23 VAL N N 23 125.900 127.558 -1.658 1
1 277 . 19 1 1 A 24 24 ILE H H 24 8.919 9.510 -0.591 1
1 278 . 19 1 1 A 24 24 ILE HA H 24 5.119 5.125 -0.006 1
1 288 . 19 1 1 A 24 24 ILE C C 24 173.492 175.427 -1.935 1
1 289 . 19 1 1 A 24 24 ILE CA C 24 60.567 60.418 0.149 1
1 290 . 19 1 1 A 24 24 ILE CB C 24 38.346 38.645 -0.299 1
1 294 . 19 1 1 A 24 24 ILE N N 24 127.789 129.174 -1.385 1
1 295 . 19 1 1 A 25 25 MET H H 25 9.857 9.101 0.756 1
1 296 . 19 1 1 A 25 25 MET HA H 25 6.017 5.462 0.555 1
1 304 . 19 1 1 A 25 25 MET C C 25 174.379 176.573 -2.194 1
1 305 . 19 1 1 A 25 25 MET CA C 25 54.898 54.423 0.475 1
1 306 . 19 1 1 A 25 25 MET CB C 25 40.260 36.703 3.557 1
1 309 . 19 1 1 A 25 25 MET N N 25 124.403 126.291 -1.888 1
1 310 . 19 1 1 A 26 26 THR H H 26 8.843 8.651 0.192 1
1 311 . 19 1 1 A 26 26 THR HA H 26 4.875 4.821 0.054 1
1 316 . 19 1 1 A 26 26 THR C C 26 170.849 174.184 -3.335 1
1 317 . 19 1 1 A 26 26 THR CA C 26 61.826 61.987 -0.161 1
1 318 . 19 1 1 A 26 26 THR CB C 26 68.846 68.993 -0.147 1
1 320 . 19 1 1 A 26 26 THR N N 26 108.669 113.052 -4.383 1
1 321 . 19 1 1 A 27 27 THR H H 27 7.342 7.808 -0.466 1
1 322 . 19 1 1 A 27 27 THR HA H 27 4.618 4.752 -0.134 1
1 327 . 19 1 1 A 27 27 THR C C 27 166.898 174.102 -7.204 1
1 328 . 19 1 1 A 27 27 THR CA C 27 58.657 60.632 -1.975 1
1 329 . 19 1 1 A 27 27 THR CB C 27 69.696 71.173 -1.477 1
1 331 . 19 1 1 A 27 27 THR N N 27 114.866 114.941 -0.075 1
1 332 . 19 1 1 A 28 28 LYS H H 28 7.638 8.347 -0.709 1
1 333 . 19 1 1 A 28 28 LYS HA H 28 3.991 4.150 -0.159 1
1 342 . 19 1 1 A 28 28 LYS C C 28 173.190 177.153 -3.963 1
1 343 . 19 1 1 A 28 28 LYS CA C 28 55.731 57.851 -2.120 1
1 344 . 19 1 1 A 28 28 LYS CB C 28 32.790 32.164 0.626 1
1 348 . 19 1 1 A 28 28 LYS N N 28 121.283 126.191 -4.908 1
1 349 . 19 1 1 A 29 29 ASP H H 29 8.184 7.177 1.007 1
1 350 . 19 1 1 A 29 29 ASP HA H 29 4.401 4.688 -0.287 1
1 353 . 19 1 1 A 29 29 ASP C C 29 173.830 174.528 -0.698 1
1 354 . 19 1 1 A 29 29 ASP CA C 29 53.979 52.798 1.181 1
1 355 . 19 1 1 A 29 29 ASP CB C 29 40.730 40.605 0.125 1
1 356 . 19 1 1 A 29 29 ASP N N 29 120.231 120.669 -0.438 1
1 357 . 19 1 1 A 30 30 THR H H 30 7.830 8.381 -0.551 1
1 358 . 19 1 1 A 30 30 THR HA H 30 3.742 4.476 -0.734 1
1 363 . 19 1 1 A 30 30 THR C C 30 172.987 173.432 -0.445 1
1 364 . 19 1 1 A 30 30 THR CA C 30 61.299 60.934 0.365 1
1 365 . 19 1 1 A 30 30 THR CB C 30 69.294 68.931 0.363 1
1 367 . 19 1 1 A 30 30 THR N N 30 115.459 120.725 -5.266 1
1 368 . 19 1 1 A 31 31 SER H H 31 8.561 8.737 -0.176 1
1 369 . 19 1 1 A 31 31 SER HA H 31 3.875 4.611 -0.736 1
1 372 . 19 1 1 A 31 31 SER CA C 31 63.520 59.533 3.987 1
1 373 . 19 1 1 A 31 31 SER CB C 31 62.332 65.100 -2.768 1
1 374 . 19 1 1 A 31 31 SER N N 31 119.763 123.834 -4.071 1
1 375 . 19 1 1 A 32 32 THR HA H 32 3.961 3.921 0.040 1
1 380 . 19 1 1 A 32 32 THR C C 32 173.850 176.268 -2.418 1
1 381 . 19 1 1 A 32 32 THR CA C 32 65.447 66.735 -1.288 1
1 382 . 19 1 1 A 32 32 THR CB C 32 68.715 68.669 0.046 1
1 384 . 19 1 1 A 33 33 LEU H H 33 7.209 8.054 -0.845 1
1 385 . 19 1 1 A 33 33 LEU HA H 33 3.950 3.929 0.021 1
1 395 . 19 1 1 A 33 33 LEU C C 33 174.505 178.655 -4.150 1
1 396 . 19 1 1 A 33 33 LEU CA C 33 57.653 58.309 -0.656 1
1 397 . 19 1 1 A 33 33 LEU CB C 33 42.210 41.452 0.758 1
1 401 . 19 1 1 A 33 33 LEU N N 33 125.158 121.617 3.541 1
1 402 . 19 1 1 A 34 34 LYS H H 34 8.671 7.960 0.711 1
1 403 . 19 1 1 A 34 34 LYS HA H 34 3.552 3.925 -0.373 1
1 412 . 19 1 1 A 34 34 LYS C C 34 174.794 179.160 -4.366 1
1 413 . 19 1 1 A 34 34 LYS CA C 34 61.226 59.765 1.461 1
1 414 . 19 1 1 A 34 34 LYS CB C 34 32.880 32.358 0.522 1
1 418 . 19 1 1 A 34 34 LYS N N 34 119.112 118.533 0.579 1
1 419 . 19 1 1 A 35 35 GLU H H 35 7.813 8.246 -0.433 1
1 420 . 19 1 1 A 35 35 GLU HA H 35 3.863 4.090 -0.227 1
1 425 . 19 1 1 A 35 35 GLU C C 35 176.222 179.396 -3.174 1
1 426 . 19 1 1 A 35 35 GLU CA C 35 59.721 58.924 0.797 1
1 427 . 19 1 1 A 35 35 GLU CB C 35 29.898 29.538 0.360 1
1 429 . 19 1 1 A 35 35 GLU N N 35 116.554 120.381 -3.827 1
1 430 . 19 1 1 A 36 36 LEU H H 36 7.153 7.761 -0.608 1
1 431 . 19 1 1 A 36 36 LEU HA H 36 4.175 3.879 0.296 1
1 441 . 19 1 1 A 36 36 LEU C C 36 177.281 178.850 -1.569 1
1 442 . 19 1 1 A 36 36 LEU CA C 36 58.018 57.909 0.109 1
1 443 . 19 1 1 A 36 36 LEU CB C 36 41.720 41.092 0.628 1
1 447 . 19 1 1 A 36 36 LEU N N 36 119.071 118.854 0.217 1
1 448 . 19 1 1 A 37 37 LEU H H 37 8.245 7.636 0.609 1
1 449 . 19 1 1 A 37 37 LEU HA H 37 3.749 4.049 -0.300 1
1 459 . 19 1 1 A 37 37 LEU C C 37 177.903 179.126 -1.223 1
1 460 . 19 1 1 A 37 37 LEU CA C 37 58.278 57.852 0.426 1
1 461 . 19 1 1 A 37 37 LEU CB C 37 39.600 40.118 -0.518 1
1 465 . 19 1 1 A 37 37 LEU N N 37 121.326 118.852 2.474 1
1 466 . 19 1 1 A 38 38 GLU H H 38 8.641 8.377 0.264 1
1 467 . 19 1 1 A 38 38 GLU HA H 38 4.320 4.167 0.153 1
1 472 . 19 1 1 A 38 38 GLU C C 38 177.074 179.032 -1.958 1
1 473 . 19 1 1 A 38 38 GLU CA C 38 59.619 59.488 0.131 1
1 474 . 19 1 1 A 38 38 GLU CB C 38 29.850 29.497 0.353 1
1 476 . 19 1 1 A 38 38 GLU N N 38 119.504 119.270 0.234 1
1 477 . 19 1 1 A 39 39 THR H H 39 7.653 7.701 -0.048 1
1 478 . 19 1 1 A 39 39 THR HA H 39 4.097 4.097 0.000 1
1 483 . 19 1 1 A 39 39 THR C C 39 173.229 175.431 -2.202 1
1 484 . 19 1 1 A 39 39 THR CA C 39 65.080 64.733 0.347 1
1 485 . 19 1 1 A 39 39 THR CB C 39 69.952 68.406 1.546 1
1 487 . 19 1 1 A 39 39 THR N N 39 110.838 113.988 -3.150 1
1 488 . 19 1 1 A 40 40 TYR H H 40 7.478 7.371 0.107 1
1 489 . 19 1 1 A 40 40 TYR HA H 40 4.073 4.687 -0.614 1
1 496 . 19 1 1 A 40 40 TYR C C 40 172.486 175.037 -2.551 1
1 497 . 19 1 1 A 40 40 TYR CA C 40 61.549 57.972 3.577 1
1 498 . 19 1 1 A 40 40 TYR CB C 40 37.140 38.444 -1.304 1
1 503 . 19 1 1 A 40 40 TYR N N 40 118.654 120.777 -2.123 1
1 504 . 19 1 1 A 41 41 GLN H H 41 7.901 8.078 -0.177 1
1 505 . 19 1 1 A 41 41 GLN HA H 41 3.963 3.930 0.033 1
1 512 . 19 1 1 A 41 41 GLN C C 41 171.223 174.098 -2.875 1
1 513 . 19 1 1 A 41 41 GLN CA C 41 57.158 57.165 -0.007 1
1 514 . 19 1 1 A 41 41 GLN CB C 41 27.330 26.241 1.089 1
1 516 . 19 1 1 A 41 41 GLN N N 41 116.315 116.344 -0.029 1
1 518 . 19 1 1 A 42 42 ARG H H 42 8.493 7.880 0.613 1
1 519 . 19 1 1 A 42 42 ARG HA H 42 5.052 4.991 0.061 1
1 527 . 19 1 1 A 42 42 ARG CA C 42 54.040 54.090 -0.050 1
1 528 . 19 1 1 A 42 42 ARG CB C 42 30.650 32.133 -1.483 1
1 531 . 19 1 1 A 42 42 ARG N N 42 115.494 115.678 -0.184 1
1 533 . 19 1 1 A 43 43 PRO HA H 43 4.390 4.920 -0.530 1
1 540 . 19 1 1 A 43 43 PRO C C 43 172.836 176.557 -3.721 1
1 541 . 19 1 1 A 43 43 PRO CA C 43 63.574 62.529 1.045 1
1 542 . 19 1 1 A 43 43 PRO CB C 43 32.500 33.032 -0.532 1
1 545 . 19 1 1 A 44 44 PHE H H 44 7.742 8.640 -0.898 1
1 546 . 19 1 1 A 44 44 PHE HA H 44 5.281 5.219 0.062 1
1 554 . 19 1 1 A 44 44 PHE C C 44 170.840 172.148 -1.308 1
1 555 . 19 1 1 A 44 44 PHE CA C 44 56.174 56.078 0.096 1
1 556 . 19 1 1 A 44 44 PHE CB C 44 42.280 41.399 0.881 1
1 562 . 19 1 1 A 44 44 PHE N N 44 115.046 118.126 -3.080 1
1 563 . 19 1 1 A 45 45 LYS H H 45 8.944 9.447 -0.503 1
1 564 . 19 1 1 A 45 45 LYS HA H 45 4.641 4.858 -0.217 1
1 573 . 19 1 1 A 45 45 LYS C C 45 171.934 174.769 -2.835 1
1 574 . 19 1 1 A 45 45 LYS CA C 45 55.210 54.997 0.213 1
1 575 . 19 1 1 A 45 45 LYS CB C 45 35.600 34.755 0.845 1
1 579 . 19 1 1 A 45 45 LYS N N 45 121.090 120.786 0.304 1
1 580 . 19 1 1 A 46 46 LEU H H 46 8.897 8.979 -0.082 1
1 581 . 19 1 1 A 46 46 LEU HA H 46 5.332 5.186 0.146 1
1 590 . 19 1 1 A 46 46 LEU C C 46 172.666 175.511 -2.845 1
1 591 . 19 1 1 A 46 46 LEU CA C 46 54.510 53.863 0.647 1
1 592 . 19 1 1 A 46 46 LEU CB C 46 44.620 44.786 -0.166 1
1 595 . 19 1 1 A 46 46 LEU N N 46 128.615 129.367 -0.752 1
1 596 . 19 1 1 A 47 47 GLU H H 47 9.220 9.144 0.076 1
1 597 . 19 1 1 A 47 47 GLU HA H 47 4.911 5.256 -0.345 1
1 602 . 19 1 1 A 47 47 GLU C C 47 172.392 174.866 -2.474 1
1 603 . 19 1 1 A 47 47 GLU CA C 47 54.980 54.842 0.138 1
1 604 . 19 1 1 A 47 47 GLU CB C 47 34.490 32.622 1.868 1
1 606 . 19 1 1 A 47 47 GLU N N 47 125.300 125.296 0.004 1
1 607 . 19 1 1 A 48 48 PHE H H 48 9.157 9.214 -0.057 1
1 608 . 19 1 1 A 48 48 PHE HA H 48 4.302 4.969 -0.667 1
1 616 . 19 1 1 A 48 48 PHE C C 48 171.971 175.648 -3.677 1
1 617 . 19 1 1 A 48 48 PHE CA C 48 58.240 57.091 1.149 1
1 618 . 19 1 1 A 48 48 PHE CB C 48 39.410 39.483 -0.073 1
1 624 . 19 1 1 A 48 48 PHE N N 48 126.911 126.425 0.486 1
1 625 . 19 1 1 A 49 49 LYS H H 49 8.256 8.579 -0.323 1
1 626 . 19 1 1 A 49 49 LYS HA H 49 4.176 3.978 0.198 1
1 635 . 19 1 1 A 49 49 LYS C C 49 172.030 175.919 -3.889 1
1 636 . 19 1 1 A 49 49 LYS CA C 49 55.244 57.904 -2.660 1
1 637 . 19 1 1 A 49 49 LYS CB C 49 32.640 32.899 -0.259 1
1 641 . 19 1 1 A 49 49 LYS N N 49 127.526 127.973 -0.447 1
1 642 . 19 1 1 A 50 50 ASN H H 50 7.062 6.742 0.320 1
1 643 . 19 1 1 A 50 50 ASN HA H 50 4.353 4.392 -0.039 1
1 648 . 19 1 1 A 50 50 ASN C C 50 171.278 172.337 -1.059 1
1 649 . 19 1 1 A 50 50 ASN CA C 50 53.807 52.295 1.512 1
1 650 . 19 1 1 A 50 50 ASN CB C 50 40.460 41.248 -0.788 1
1 651 . 19 1 1 A 50 50 ASN N N 50 115.764 111.893 3.871 1
1 653 . 19 1 1 A 51 51 THR H H 51 8.217 8.645 -0.428 1
1 654 . 19 1 1 A 51 51 THR HA H 51 4.685 4.845 -0.160 1
1 659 . 19 1 1 A 51 51 THR C C 51 171.816 174.597 -2.781 1
1 660 . 19 1 1 A 51 51 THR CA C 51 61.243 60.759 0.484 1
1 661 . 19 1 1 A 51 51 THR CB C 51 70.632 70.914 -0.282 1
1 663 . 19 1 1 A 51 51 THR N N 51 114.341 116.306 -1.965 1
1 664 . 19 1 1 A 52 52 SER H H 52 8.314 8.877 -0.563 1
1 665 . 19 1 1 A 52 52 SER HA H 52 4.395 4.420 -0.025 1
1 668 . 19 1 1 A 52 52 SER CA C 52 58.470 59.318 -0.848 1
1 669 . 19 1 1 A 52 52 SER CB C 52 64.580 64.115 0.465 1
1 670 . 19 1 1 A 52 52 SER N N 52 118.503 121.246 -2.743 1
1 671 . 19 1 1 A 54 54 ASN HA H 54 4.484 4.742 -0.258 1
1 676 . 19 1 1 A 54 54 ASN C C 54 171.753 174.516 -2.763 1
1 677 . 19 1 1 A 54 54 ASN CA C 54 53.296 52.676 0.620 1
1 678 . 19 1 1 A 54 54 ASN CB C 54 38.080 38.688 -0.608 1
1 680 . 19 1 1 A 55 55 ALA H H 55 7.927 8.147 -0.220 1
1 681 . 19 1 1 A 55 55 ALA HA H 55 3.759 4.084 -0.325 1
1 685 . 19 1 1 A 55 55 ALA C C 55 173.386 176.981 -3.595 1
1 686 . 19 1 1 A 55 55 ALA CA C 55 53.266 53.157 0.109 1
1 687 . 19 1 1 A 55 55 ALA CB C 55 18.180 17.905 0.275 1
1 688 . 19 1 1 A 55 55 ALA N N 55 120.429 120.503 -0.074 1
1 689 . 19 1 1 A 56 56 LYS H H 56 7.426 7.487 -0.061 1
1 690 . 19 1 1 A 56 56 LYS HA H 56 3.919 3.798 0.121 1
1 702 . 19 1 1 A 56 56 LYS C C 56 172.612 175.556 -2.944 1
1 703 . 19 1 1 A 56 56 LYS CA C 56 57.113 57.786 -0.673 1
1 704 . 19 1 1 A 56 56 LYS CB C 56 33.566 33.080 0.486 1
1 708 . 19 1 1 A 56 56 LYS N N 56 116.392 117.597 -1.205 1
1 710 . 19 1 1 A 57 57 PHE H H 57 7.253 7.531 -0.278 1
1 711 . 19 1 1 A 57 57 PHE HA H 57 5.062 5.091 -0.029 1
1 719 . 19 1 1 A 57 57 PHE C C 57 171.527 173.678 -2.151 1
1 720 . 19 1 1 A 57 57 PHE CA C 57 54.920 56.122 -1.202 1
1 721 . 19 1 1 A 57 57 PHE CB C 57 41.910 42.037 -0.127 1
1 727 . 19 1 1 A 57 57 PHE N N 57 113.835 114.958 -1.123 1
1 728 . 19 1 1 A 58 58 TYR H H 58 9.172 9.304 -0.132 1
1 729 . 19 1 1 A 58 58 TYR HA H 58 4.746 5.271 -0.525 1
1 736 . 19 1 1 A 58 58 TYR C C 58 171.294 174.955 -3.661 1
1 737 . 19 1 1 A 58 58 TYR CA C 58 57.770 56.886 0.884 1
1 738 . 19 1 1 A 58 58 TYR CB C 58 41.784 40.139 1.645 1
1 743 . 19 1 1 A 58 58 TYR N N 58 121.139 122.766 -1.627 1
1 744 . 19 1 1 A 59 59 SER H H 59 8.786 8.834 -0.048 1
1 745 . 19 1 1 A 59 59 SER HA H 59 5.399 4.913 0.486 1
1 748 . 19 1 1 A 59 59 SER C C 59 170.105 173.724 -3.619 1
1 749 . 19 1 1 A 59 59 SER CA C 59 57.650 58.277 -0.627 1
1 750 . 19 1 1 A 59 59 SER CB C 59 65.220 63.661 1.559 1
1 751 . 19 1 1 A 59 59 SER N N 59 118.511 121.146 -2.635 1
1 752 . 19 1 1 A 60 60 PHE H H 60 9.389 9.780 -0.391 1
1 753 . 19 1 1 A 60 60 PHE HA H 60 5.210 5.320 -0.110 1
1 761 . 19 1 1 A 60 60 PHE C C 60 172.188 174.775 -2.587 1
1 762 . 19 1 1 A 60 60 PHE CA C 60 56.824 56.706 0.118 1
1 763 . 19 1 1 A 60 60 PHE CB C 60 43.645 42.589 1.056 1
1 769 . 19 1 1 A 60 60 PHE N N 60 121.864 126.415 -4.551 1
1 770 . 19 1 1 A 61 61 ASN H H 61 9.448 9.248 0.200 1
1 771 . 19 1 1 A 61 61 ASN HA H 61 5.564 5.637 -0.073 1
1 776 . 19 1 1 A 61 61 ASN C C 61 171.756 173.479 -1.723 1
1 777 . 19 1 1 A 61 61 ASN CA C 61 53.012 52.426 0.586 1
1 778 . 19 1 1 A 61 61 ASN CB C 61 42.580 42.349 0.231 1
1 779 . 19 1 1 A 61 61 ASN N N 61 121.107 118.898 2.209 1
1 781 . 19 1 1 A 62 62 VAL H H 62 9.361 9.499 -0.138 1
1 782 . 19 1 1 A 62 62 VAL HA H 62 5.159 4.932 0.227 1
1 790 . 19 1 1 A 62 62 VAL C C 62 171.964 174.972 -3.008 1
1 791 . 19 1 1 A 62 62 VAL CA C 62 60.991 61.219 -0.228 1
1 792 . 19 1 1 A 62 62 VAL CB C 62 35.350 33.325 2.025 1
1 795 . 19 1 1 A 62 62 VAL N N 62 126.781 127.365 -0.584 1
1 796 . 19 1 1 A 63 63 SER H H 63 8.750 9.272 -0.522 1
1 797 . 19 1 1 A 63 63 SER HA H 63 5.955 5.646 0.309 1
1 800 . 19 1 1 A 63 63 SER C C 63 171.905 173.662 -1.757 1
1 801 . 19 1 1 A 63 63 SER CA C 63 56.587 58.108 -1.521 1
1 802 . 19 1 1 A 63 63 SER CB C 63 65.231 63.806 1.425 1
1 803 . 19 1 1 A 63 63 SER N N 63 120.886 125.878 -4.992 1
1 804 . 19 1 1 A 64 64 MET H H 64 8.918 8.889 0.029 1
1 805 . 19 1 1 A 64 64 MET HA H 64 4.622 5.346 -0.724 1
1 813 . 19 1 1 A 64 64 MET C C 64 170.352 175.065 -4.713 1
1 814 . 19 1 1 A 64 64 MET CA C 64 55.950 53.603 2.347 1
1 815 . 19 1 1 A 64 64 MET CB C 64 38.000 36.244 1.756 1
1 818 . 19 1 1 A 64 64 MET N N 64 123.839 123.460 0.379 1
1 819 . 19 1 1 A 65 65 GLU H H 65 9.213 8.486 0.727 1
1 820 . 19 1 1 A 65 65 GLU HA H 65 4.740 4.724 0.016 1
1 825 . 19 1 1 A 65 65 GLU C C 65 172.659 176.462 -3.803 1
1 826 . 19 1 1 A 65 65 GLU CA C 65 57.547 56.867 0.680 1
1 827 . 19 1 1 A 65 65 GLU CB C 65 31.100 30.134 0.966 1
1 829 . 19 1 1 A 65 65 GLU N N 65 125.938 119.956 5.982 1
1 830 . 19 1 1 A 66 66 VAL H H 66 9.031 9.002 0.029 1
1 831 . 19 1 1 A 66 66 VAL HA H 66 4.632 4.822 -0.190 1
1 839 . 19 1 1 A 66 66 VAL C C 66 174.252 175.830 -1.578 1
1 840 . 19 1 1 A 66 66 VAL CA C 66 59.454 60.068 -0.614 1
1 841 . 19 1 1 A 66 66 VAL CB C 66 35.450 34.933 0.517 1
1 844 . 19 1 1 A 66 66 VAL N N 66 117.398 118.311 -0.913 1
1 845 . 19 1 1 A 67 67 SER H H 67 9.309 9.057 0.252 1
1 846 . 19 1 1 A 67 67 SER HA H 67 4.185 4.614 -0.429 1
1 849 . 19 1 1 A 67 67 SER C C 67 170.646 174.522 -3.876 1
1 850 . 19 1 1 A 67 67 SER CA C 67 61.719 59.868 1.851 1
1 851 . 19 1 1 A 67 67 SER CB C 67 64.540 64.296 0.244 1
1 852 . 19 1 1 A 67 67 SER N N 67 116.754 118.240 -1.486 1
1 853 . 19 1 1 A 68 68 ASN H H 68 7.279 7.789 -0.510 1
1 854 . 19 1 1 A 68 68 ASN HA H 68 3.345 4.788 -1.443 1
1 859 . 19 1 1 A 68 68 ASN C C 68 170.781 175.425 -4.644 1
1 860 . 19 1 1 A 68 68 ASN CA C 68 51.758 51.581 0.177 1
1 861 . 19 1 1 A 68 68 ASN CB C 68 38.809 40.387 -1.578 1
1 862 . 19 1 1 A 68 68 ASN N N 68 110.062 114.220 -4.158 1
1 864 . 19 1 1 A 69 69 GLU H H 69 8.126 8.535 -0.409 1
1 865 . 19 1 1 A 69 69 GLU HA H 69 3.337 4.002 -0.665 1
1 870 . 19 1 1 A 69 69 GLU C C 69 174.537 177.892 -3.355 1
1 871 . 19 1 1 A 69 69 GLU CA C 69 59.749 58.425 1.324 1
1 872 . 19 1 1 A 69 69 GLU CB C 69 30.250 28.890 1.360 1
1 874 . 19 1 1 A 69 69 GLU N N 69 120.604 120.359 0.245 1
1 875 . 19 1 1 A 70 70 SER H H 70 7.981 7.580 0.401 1
1 876 . 19 1 1 A 70 70 SER HA H 70 4.030 4.107 -0.077 1
1 879 . 19 1 1 A 70 70 SER C C 70 174.715 177.274 -2.559 1
1 880 . 19 1 1 A 70 70 SER CA C 70 62.097 61.479 0.618 1
1 881 . 19 1 1 A 70 70 SER CB C 70 62.350 62.912 -0.562 1
1 882 . 19 1 1 A 70 70 SER N N 70 114.770 115.182 -0.412 1
1 883 . 19 1 1 A 71 71 GLU H H 71 8.572 7.796 0.776 1
1 884 . 19 1 1 A 71 71 GLU HA H 71 3.927 4.087 -0.160 1
1 889 . 19 1 1 A 71 71 GLU C C 71 174.769 179.218 -4.449 1
1 890 . 19 1 1 A 71 71 GLU CA C 71 59.849 59.255 0.594 1
1 891 . 19 1 1 A 71 71 GLU CB C 71 30.950 29.733 1.217 1
1 893 . 19 1 1 A 71 71 GLU N N 71 124.163 122.101 2.062 1
1 894 . 19 1 1 A 72 72 ARG H H 72 7.797 7.836 -0.039 1
1 895 . 19 1 1 A 72 72 ARG HA H 72 3.776 4.337 -0.561 1
1 900 . 19 1 1 A 72 72 ARG C C 72 177.552 178.513 -0.961 1
1 901 . 19 1 1 A 72 72 ARG CA C 72 58.680 58.950 -0.270 1
1 902 . 19 1 1 A 72 72 ARG CB C 72 30.110 29.726 0.384 1
1 905 . 19 1 1 A 72 72 ARG N N 72 118.396 120.466 -2.070 1
1 906 . 19 1 1 A 73 73 ASN H H 73 8.175 8.100 0.075 1
1 907 . 19 1 1 A 73 73 ASN HA H 73 4.461 4.550 -0.089 1
1 912 . 19 1 1 A 73 73 ASN C C 73 174.089 178.014 -3.925 1
1 913 . 19 1 1 A 73 73 ASN CA C 73 55.500 55.976 -0.476 1
1 914 . 19 1 1 A 73 73 ASN CB C 73 37.844 38.271 -0.427 1
1 915 . 19 1 1 A 73 73 ASN N N 73 118.156 117.347 0.809 1
1 917 . 19 1 1 A 74 74 GLU H H 74 8.473 8.186 0.287 1
1 918 . 19 1 1 A 74 74 GLU HA H 74 3.954 4.067 -0.113 1
1 923 . 19 1 1 A 74 74 GLU C C 74 175.719 179.223 -3.504 1
1 924 . 19 1 1 A 74 74 GLU CA C 74 60.093 59.127 0.966 1
1 925 . 19 1 1 A 74 74 GLU CB C 74 30.460 29.663 0.797 1
1 927 . 19 1 1 A 74 74 GLU N N 74 124.825 120.077 4.748 1
1 928 . 19 1 1 A 75 75 ILE H H 75 8.273 8.527 -0.254 1
1 929 . 19 1 1 A 75 75 ILE HA H 75 3.229 3.668 -0.439 1
1 939 . 19 1 1 A 75 75 ILE C C 75 174.591 177.898 -3.307 1
1 940 . 19 1 1 A 75 75 ILE CA C 75 66.460 65.502 0.958 1
1 941 . 19 1 1 A 75 75 ILE CB C 75 38.262 37.670 0.592 1
1 945 . 19 1 1 A 75 75 ILE N N 75 120.282 120.085 0.197 1
1 946 . 19 1 1 A 76 76 PHE H H 76 7.233 8.037 -0.804 1
1 947 . 19 1 1 A 76 76 PHE HA H 76 3.600 4.081 -0.481 1
1 955 . 19 1 1 A 76 76 PHE C C 76 175.036 177.909 -2.873 1
1 956 . 19 1 1 A 76 76 PHE CA C 76 62.227 61.415 0.812 1
1 957 . 19 1 1 A 76 76 PHE CB C 76 40.170 39.725 0.445 1
1 963 . 19 1 1 A 76 76 PHE N N 76 117.265 120.070 -2.805 1
1 964 . 19 1 1 A 77 77 GLN H H 77 8.262 8.000 0.262 1
1 965 . 19 1 1 A 77 77 GLN HA H 77 3.753 3.759 -0.006 1
1 972 . 19 1 1 A 77 77 GLN C C 77 176.132 178.789 -2.657 1
1 973 . 19 1 1 A 77 77 GLN CA C 77 59.113 59.395 -0.282 1
1 974 . 19 1 1 A 77 77 GLN CB C 77 28.487 28.652 -0.165 1
1 976 . 19 1 1 A 77 77 GLN N N 77 118.919 118.433 0.486 1
1 978 . 19 1 1 A 78 78 LYS H H 78 8.508 8.060 0.448 1
1 979 . 19 1 1 A 78 78 LYS HA H 78 3.804 4.037 -0.233 1
1 988 . 19 1 1 A 78 78 LYS C C 78 177.438 179.355 -1.917 1
1 989 . 19 1 1 A 78 78 LYS CA C 78 60.107 59.144 0.963 1
1 990 . 19 1 1 A 78 78 LYS CB C 78 33.160 32.667 0.493 1
1 994 . 19 1 1 A 78 78 LYS N N 78 119.345 119.240 0.105 1
1 995 . 19 1 1 A 79 79 ILE H H 79 8.395 8.082 0.313 1
1 996 . 19 1 1 A 79 79 ILE HA H 79 3.182 3.735 -0.553 1
1 1006 . 19 1 1 A 79 79 ILE C C 79 174.721 178.389 -3.668 1
1 1007 . 19 1 1 A 79 79 ILE CA C 79 66.280 65.132 1.148 1
1 1008 . 19 1 1 A 79 79 ILE CB C 79 38.360 37.419 0.941 1
1 1012 . 19 1 1 A 79 79 ILE N N 79 120.117 120.838 -0.721 1
1 1013 . 19 1 1 A 80 80 SER H H 80 7.459 7.721 -0.262 1
1 1014 . 19 1 1 A 80 80 SER HA H 80 3.868 4.095 -0.227 1
1 1017 . 19 1 1 A 80 80 SER C C 80 171.998 176.557 -4.559 1
1 1018 . 19 1 1 A 80 80 SER CA C 80 61.444 60.896 0.548 1
1 1019 . 19 1 1 A 80 80 SER CB C 80 63.500 63.035 0.465 1
1 1020 . 19 1 1 A 80 80 SER N N 80 110.857 116.956 -6.099 1
1 1021 . 19 1 1 A 81 81 GLN H H 81 7.095 7.687 -0.592 1
1 1022 . 19 1 1 A 81 81 GLN HA H 81 4.143 4.178 -0.035 1
1 1029 . 19 1 1 A 81 81 GLN C C 81 173.743 176.773 -3.030 1
1 1030 . 19 1 1 A 81 81 GLN CA C 81 55.894 57.699 -1.805 1
1 1031 . 19 1 1 A 81 81 GLN CB C 81 29.390 28.151 1.239 1
1 1033 . 19 1 1 A 81 81 GLN N N 81 117.056 120.032 -2.976 1
1 1035 . 19 1 1 A 82 82 LEU H H 82 7.495 7.550 -0.055 1
1 1036 . 19 1 1 A 82 82 LEU HA H 82 4.064 4.173 -0.109 1
1 1046 . 19 1 1 A 82 82 LEU C C 82 175.685 176.772 -1.087 1
1 1047 . 19 1 1 A 82 82 LEU CA C 82 55.730 55.388 0.342 1
1 1048 . 19 1 1 A 82 82 LEU CB C 82 41.740 42.633 -0.893 1
1 1052 . 19 1 1 A 82 82 LEU N N 82 123.191 118.546 4.645 1
1 1053 . 19 1 1 A 83 83 ASP H H 83 8.330 7.998 0.332 1
1 1054 . 19 1 1 A 83 83 ASP HA H 83 4.260 4.513 -0.253 1
1 1057 . 19 1 1 A 83 83 ASP C C 83 174.543 177.108 -2.565 1
1 1058 . 19 1 1 A 83 83 ASP CA C 83 57.056 55.755 1.301 1
1 1059 . 19 1 1 A 83 83 ASP CB C 83 41.590 40.589 1.001 1
1 1060 . 19 1 1 A 83 83 ASP N N 83 122.600 118.852 3.748 1
1 1061 . 19 1 1 A 84 84 LYS H H 84 8.152 8.279 -0.127 1
1 1062 . 19 1 1 A 84 84 LYS HA H 84 4.060 4.328 -0.268 1
1 1071 . 19 1 1 A 84 84 LYS C C 84 172.461 176.350 -3.889 1
1 1072 . 19 1 1 A 84 84 LYS CA C 84 57.301 57.489 -0.188 1
1 1073 . 19 1 1 A 84 84 LYS CB C 84 31.140 32.344 -1.204 1
1 1077 . 19 1 1 A 84 84 LYS N N 84 113.797 116.967 -3.170 1
1 1078 . 19 1 1 A 85 85 VAL H H 85 7.290 7.576 -0.286 1
1 1079 . 19 1 1 A 85 85 VAL HA H 85 4.230 4.380 -0.150 1
1 1087 . 19 1 1 A 85 85 VAL C C 85 173.934 175.935 -2.001 1
1 1088 . 19 1 1 A 85 85 VAL CA C 85 63.300 61.786 1.514 1
1 1089 . 19 1 1 A 85 85 VAL CB C 85 32.320 32.811 -0.491 1
1 1092 . 19 1 1 A 85 85 VAL N N 85 118.733 120.477 -1.744 1
1 1093 . 19 1 1 A 86 86 VAL H H 86 9.093 9.028 0.065 1
1 1094 . 19 1 1 A 86 86 VAL HA H 86 4.165 4.345 -0.180 1
1 1102 . 19 1 1 A 86 86 VAL C C 86 173.235 175.776 -2.541 1
1 1103 . 19 1 1 A 86 86 VAL CA C 86 62.144 62.150 -0.006 1
1 1104 . 19 1 1 A 86 86 VAL CB C 86 33.397 32.896 0.501 1
1 1107 . 19 1 1 A 86 86 VAL N N 86 125.341 123.860 1.481 1
1 1108 . 19 1 1 A 87 87 GLN H H 87 7.727 7.182 0.545 1
1 1109 . 19 1 1 A 87 87 GLN HA H 87 4.437 4.650 -0.213 1
1 1114 . 19 1 1 A 87 87 GLN C C 87 170.954 173.292 -2.338 1
1 1115 . 19 1 1 A 87 87 GLN CA C 87 56.370 55.582 0.788 1
1 1116 . 19 1 1 A 87 87 GLN CB C 87 32.420 32.341 0.079 1
1 1118 . 19 1 1 A 87 87 GLN N N 87 119.469 120.244 -0.775 1
1 1119 . 19 1 1 A 88 88 THR H H 88 8.087 8.706 -0.619 1
1 1120 . 19 1 1 A 88 88 THR HA H 88 4.857 5.422 -0.565 1
1 1125 . 19 1 1 A 88 88 THR CA C 88 61.850 60.394 1.456 1
1 1126 . 19 1 1 A 88 88 THR CB C 88 69.900 71.468 -1.568 1
1 1128 . 19 1 1 A 88 88 THR N N 88 119.679 118.365 1.314 1
1 1129 . 19 1 1 A 89 89 LEU HA H 89 4.851 5.082 -0.231 1
1 1139 . 19 1 1 A 89 89 LEU C C 89 174.211 176.594 -2.383 1
1 1140 . 19 1 1 A 89 89 LEU CA C 89 54.590 53.557 1.033 1
1 1141 . 19 1 1 A 89 89 LEU CB C 89 44.176 43.694 0.482 1
1 1145 . 19 1 1 A 90 90 GLY H H 90 8.697 9.005 -0.308 1
1 1146 . 19 1 1 A 90 90 GLY HA2 H 90 4.181 4.270 -0.089 1
1 1147 . 19 1 1 A 90 90 GLY HA3 H 90 4.267 4.482 -0.215 1
1 1148 . 19 1 1 A 90 90 GLY C C 90 170.516 174.296 -3.780 1
1 1149 . 19 1 1 A 90 90 GLY CA C 90 45.810 45.852 -0.042 1
1 1150 . 19 1 1 A 90 90 GLY N N 90 109.859 114.006 -4.147 1
1 1 . 20 1 1 A 2 2 GLY HA2 H 2 3.721 3.700 0.021 1
1 2 . 20 1 1 A 2 2 GLY HA3 H 2 3.721 3.793 -0.072 1
1 3 . 20 1 1 A 2 2 GLY CA C 2 43.440 46.366 -2.926 1
1 4 . 20 1 1 A 3 3 HIS HA H 3 4.602 5.248 -0.646 1
1 9 . 20 1 1 A 3 3 HIS C C 3 172.383 174.335 -1.952 1
1 10 . 20 1 1 A 3 3 HIS CA C 3 56.270 54.479 1.791 1
1 11 . 20 1 1 A 3 3 HIS CB C 3 30.850 33.701 -2.851 1
1 14 . 20 1 1 A 4 4 MET H H 4 8.397 8.919 -0.522 1
1 15 . 20 1 1 A 4 4 MET HA H 4 4.720 5.116 -0.396 1
1 23 . 20 1 1 A 4 4 MET CA C 4 53.410 52.200 1.210 1
1 24 . 20 1 1 A 4 4 MET CB C 4 32.550 35.134 -2.584 1
1 27 . 20 1 1 A 4 4 MET N N 4 123.715 119.418 4.297 1
1 28 . 20 1 1 A 5 5 PRO HA H 5 4.340 4.604 -0.264 1
1 35 . 20 1 1 A 5 5 PRO C C 5 174.369 176.768 -2.399 1
1 36 . 20 1 1 A 5 5 PRO CA C 5 63.686 62.412 1.274 1
1 37 . 20 1 1 A 5 5 PRO CB C 5 32.430 33.054 -0.624 1
1 40 . 20 1 1 A 6 6 SER H H 6 8.337 8.570 -0.233 1
1 41 . 20 1 1 A 6 6 SER HA H 6 4.299 4.464 -0.165 1
1 44 . 20 1 1 A 6 6 SER C C 6 171.770 174.336 -2.566 1
1 45 . 20 1 1 A 6 6 SER CA C 6 58.800 57.905 0.895 1
1 46 . 20 1 1 A 6 6 SER CB C 6 63.896 62.335 1.561 1
1 47 . 20 1 1 A 6 6 SER N N 6 115.479 114.382 1.097 1
1 48 . 20 1 1 A 7 7 ASP H H 7 8.269 8.015 0.254 1
1 49 . 20 1 1 A 7 7 ASP HA H 7 4.545 5.169 -0.624 1
1 52 . 20 1 1 A 7 7 ASP C C 7 173.646 174.992 -1.346 1
1 53 . 20 1 1 A 7 7 ASP CA C 7 54.571 52.829 1.742 1
1 54 . 20 1 1 A 7 7 ASP CB C 7 41.353 45.501 -4.148 1
1 55 . 20 1 1 A 7 7 ASP N N 7 122.367 124.576 -2.209 1
1 56 . 20 1 1 A 8 8 SER H H 8 8.126 8.499 -0.373 1
1 57 . 20 1 1 A 8 8 SER HA H 8 4.337 4.774 -0.437 1
1 60 . 20 1 1 A 8 8 SER C C 8 171.792 174.036 -2.244 1
1 61 . 20 1 1 A 8 8 SER CA C 8 58.950 57.391 1.559 1
1 62 . 20 1 1 A 8 8 SER CB C 8 64.140 63.066 1.074 1
1 63 . 20 1 1 A 8 8 SER N N 8 116.038 115.904 0.134 1
1 64 . 20 1 1 A 9 9 LYS H H 9 8.400 7.628 0.772 1
1 65 . 20 1 1 A 9 9 LYS HA H 9 4.225 3.881 0.344 1
1 74 . 20 1 1 A 9 9 LYS C C 9 173.626 177.130 -3.504 1
1 75 . 20 1 1 A 9 9 LYS CA C 9 56.391 57.484 -1.093 1
1 76 . 20 1 1 A 9 9 LYS CB C 9 32.970 32.503 0.467 1
1 80 . 20 1 1 A 9 9 LYS N N 9 122.400 123.488 -1.088 1
1 81 . 20 1 1 A 10 10 LYS H H 10 8.180 8.965 -0.785 1
1 82 . 20 1 1 A 10 10 LYS HA H 10 4.493 3.828 0.665 1
1 91 . 20 1 1 A 10 10 LYS CA C 10 54.500 56.804 -2.304 1
1 92 . 20 1 1 A 10 10 LYS CB C 10 32.750 30.840 1.910 1
1 96 . 20 1 1 A 10 10 LYS N N 10 123.900 121.393 2.507 1
1 97 . 20 1 1 A 11 11 PRO HA H 11 4.404 4.463 -0.059 1
1 104 . 20 1 1 A 11 11 PRO C C 11 174.099 176.692 -2.593 1
1 105 . 20 1 1 A 11 11 PRO CA C 11 63.451 62.955 0.496 1
1 106 . 20 1 1 A 11 11 PRO CB C 11 32.405 32.283 0.122 1
1 109 . 20 1 1 A 12 12 THR H H 12 8.277 8.459 -0.182 1
1 110 . 20 1 1 A 12 12 THR HA H 12 4.156 4.365 -0.209 1
1 115 . 20 1 1 A 12 12 THR C C 12 171.255 174.413 -3.158 1
1 116 . 20 1 1 A 12 12 THR CA C 12 62.829 63.234 -0.405 1
1 117 . 20 1 1 A 12 12 THR CB C 12 70.113 68.854 1.259 1
1 119 . 20 1 1 A 12 12 THR N N 12 116.775 118.351 -1.576 1
1 120 . 20 1 1 A 13 13 ILE H H 13 8.141 8.787 -0.646 1
1 121 . 20 1 1 A 13 13 ILE HA H 13 3.880 4.461 -0.581 1
1 131 . 20 1 1 A 13 13 ILE C C 13 171.936 175.668 -3.732 1
1 132 . 20 1 1 A 13 13 ILE CA C 13 61.000 60.691 0.309 1
1 133 . 20 1 1 A 13 13 ILE CB C 13 38.957 37.882 1.075 1
1 137 . 20 1 1 A 13 13 ILE N N 13 126.554 128.111 -1.557 1
1 138 . 20 1 1 A 14 14 ILE H H 14 7.890 8.721 -0.831 1
1 139 . 20 1 1 A 14 14 ILE HA H 14 4.045 4.649 -0.604 1
1 149 . 20 1 1 A 14 14 ILE C C 14 171.624 174.975 -3.351 1
1 150 . 20 1 1 A 14 14 ILE CA C 14 60.132 60.531 -0.399 1
1 151 . 20 1 1 A 14 14 ILE CB C 14 38.760 38.426 0.334 1
1 155 . 20 1 1 A 14 14 ILE N N 14 127.503 128.721 -1.218 1
1 156 . 20 1 1 A 15 15 TYR H H 15 8.185 8.957 -0.772 1
1 165 . 20 1 1 A 15 15 TYR N N 15 123.664 127.470 -3.806 1
1 166 . 20 1 1 A 16 16 PRO HA H 16 5.087 5.216 -0.129 1
1 173 . 20 1 1 A 16 16 PRO C C 16 172.702 174.892 -2.190 1
1 174 . 20 1 1 A 16 16 PRO CA C 16 62.891 62.571 0.320 1
1 175 . 20 1 1 A 16 16 PRO CB C 16 36.288 33.074 3.214 1
1 178 . 20 1 1 A 17 17 CYS H H 17 8.579 8.555 0.024 1
1 179 . 20 1 1 A 17 17 CYS HA H 17 4.924 4.839 0.085 1
1 182 . 20 1 1 A 17 17 CYS C C 17 169.725 173.469 -3.744 1
1 183 . 20 1 1 A 17 17 CYS CA C 17 55.925 57.764 -1.839 1
1 184 . 20 1 1 A 17 17 CYS CB C 17 31.200 31.842 -0.642 1
1 185 . 20 1 1 A 17 17 CYS N N 17 114.797 118.543 -3.746 1
1 186 . 20 1 1 A 18 18 LEU H H 18 8.449 8.755 -0.306 1
1 187 . 20 1 1 A 18 18 LEU HA H 18 4.336 4.578 -0.242 1
1 197 . 20 1 1 A 18 18 LEU C C 18 172.529 175.813 -3.284 1
1 198 . 20 1 1 A 18 18 LEU CA C 18 55.600 54.381 1.219 1
1 199 . 20 1 1 A 18 18 LEU CB C 18 42.550 41.632 0.918 1
1 203 . 20 1 1 A 18 18 LEU N N 18 122.242 123.558 -1.316 1
1 204 . 20 1 1 A 19 19 TRP H H 19 9.079 9.169 -0.090 1
1 205 . 20 1 1 A 19 19 TRP HA H 19 4.300 5.127 -0.827 1
1 214 . 20 1 1 A 19 19 TRP C C 19 170.195 174.629 -4.434 1
1 215 . 20 1 1 A 19 19 TRP CA C 19 56.750 56.320 0.430 1
1 216 . 20 1 1 A 19 19 TRP CB C 19 33.935 32.167 1.768 1
1 222 . 20 1 1 A 19 19 TRP N N 19 130.082 127.675 2.407 1
1 224 . 20 1 1 A 20 20 ASP H H 20 6.314 7.990 -1.676 1
1 225 . 20 1 1 A 20 20 ASP HA H 20 5.559 5.498 0.061 1
1 228 . 20 1 1 A 20 20 ASP C C 20 172.285 174.105 -1.820 1
1 229 . 20 1 1 A 20 20 ASP CA C 20 52.900 52.576 0.324 1
1 230 . 20 1 1 A 20 20 ASP CB C 20 43.450 43.377 0.073 1
1 231 . 20 1 1 A 20 20 ASP N N 20 122.801 128.242 -5.441 1
1 232 . 20 1 1 A 21 21 TYR H H 21 9.519 9.731 -0.212 1
1 233 . 20 1 1 A 21 21 TYR HA H 21 4.975 5.287 -0.312 1
1 240 . 20 1 1 A 21 21 TYR C C 21 172.202 174.775 -2.573 1
1 241 . 20 1 1 A 21 21 TYR CA C 21 56.910 56.697 0.213 1
1 242 . 20 1 1 A 21 21 TYR CB C 21 40.850 41.164 -0.314 1
1 247 . 20 1 1 A 21 21 TYR N N 21 120.749 126.516 -5.767 1
1 248 . 20 1 1 A 22 22 ARG H H 22 8.758 9.381 -0.623 1
1 249 . 20 1 1 A 22 22 ARG HA H 22 5.189 4.837 0.352 1
1 256 . 20 1 1 A 22 22 ARG C C 22 172.210 175.169 -2.959 1
1 257 . 20 1 1 A 22 22 ARG CA C 22 55.180 55.611 -0.431 1
1 258 . 20 1 1 A 22 22 ARG CB C 22 31.360 31.399 -0.039 1
1 261 . 20 1 1 A 22 22 ARG N N 22 124.405 124.967 -0.562 1
1 262 . 20 1 1 A 23 23 VAL H H 23 9.170 9.227 -0.057 1
1 263 . 20 1 1 A 23 23 VAL HA H 23 4.591 4.722 -0.131 1
1 271 . 20 1 1 A 23 23 VAL C C 23 171.354 175.058 -3.704 1
1 272 . 20 1 1 A 23 23 VAL CA C 23 61.836 61.804 0.032 1
1 273 . 20 1 1 A 23 23 VAL CB C 23 35.725 32.390 3.335 1
1 276 . 20 1 1 A 23 23 VAL N N 23 125.900 127.798 -1.898 1
1 277 . 20 1 1 A 24 24 ILE H H 24 8.919 9.429 -0.510 1
1 278 . 20 1 1 A 24 24 ILE HA H 24 5.119 5.197 -0.078 1
1 288 . 20 1 1 A 24 24 ILE C C 24 173.492 175.378 -1.886 1
1 289 . 20 1 1 A 24 24 ILE CA C 24 60.567 60.277 0.290 1
1 290 . 20 1 1 A 24 24 ILE CB C 24 38.346 38.730 -0.384 1
1 294 . 20 1 1 A 24 24 ILE N N 24 127.789 129.177 -1.388 1
1 295 . 20 1 1 A 25 25 MET H H 25 9.857 9.516 0.341 1
1 296 . 20 1 1 A 25 25 MET HA H 25 6.017 5.296 0.721 1
1 304 . 20 1 1 A 25 25 MET C C 25 174.379 176.580 -2.201 1
1 305 . 20 1 1 A 25 25 MET CA C 25 54.898 54.346 0.552 1
1 306 . 20 1 1 A 25 25 MET CB C 25 40.260 36.603 3.657 1
1 309 . 20 1 1 A 25 25 MET N N 25 124.403 125.948 -1.545 1
1 310 . 20 1 1 A 26 26 THR H H 26 8.843 8.735 0.108 1
1 311 . 20 1 1 A 26 26 THR HA H 26 4.875 4.849 0.026 1
1 316 . 20 1 1 A 26 26 THR C C 26 170.849 174.052 -3.203 1
1 317 . 20 1 1 A 26 26 THR CA C 26 61.826 61.715 0.111 1
1 318 . 20 1 1 A 26 26 THR CB C 26 68.846 68.612 0.234 1
1 320 . 20 1 1 A 26 26 THR N N 26 108.669 112.337 -3.668 1
1 321 . 20 1 1 A 27 27 THR H H 27 7.342 7.842 -0.500 1
1 322 . 20 1 1 A 27 27 THR HA H 27 4.618 4.655 -0.037 1
1 327 . 20 1 1 A 27 27 THR C C 27 166.898 172.796 -5.898 1
1 328 . 20 1 1 A 27 27 THR CA C 27 58.657 60.524 -1.867 1
1 329 . 20 1 1 A 27 27 THR CB C 27 69.696 69.839 -0.143 1
1 331 . 20 1 1 A 27 27 THR N N 27 114.866 114.004 0.862 1
1 332 . 20 1 1 A 28 28 LYS H H 28 7.638 8.560 -0.922 1
1 333 . 20 1 1 A 28 28 LYS HA H 28 3.991 4.677 -0.686 1
1 342 . 20 1 1 A 28 28 LYS C C 28 173.190 176.251 -3.061 1
1 343 . 20 1 1 A 28 28 LYS CA C 28 55.731 55.907 -0.176 1
1 344 . 20 1 1 A 28 28 LYS CB C 28 32.790 32.341 0.449 1
1 348 . 20 1 1 A 28 28 LYS N N 28 121.283 123.874 -2.591 1
1 349 . 20 1 1 A 29 29 ASP H H 29 8.184 7.699 0.485 1
1 350 . 20 1 1 A 29 29 ASP HA H 29 4.401 4.606 -0.205 1
1 353 . 20 1 1 A 29 29 ASP C C 29 173.830 174.692 -0.862 1
1 354 . 20 1 1 A 29 29 ASP CA C 29 53.979 53.320 0.659 1
1 355 . 20 1 1 A 29 29 ASP CB C 29 40.730 40.154 0.576 1
1 356 . 20 1 1 A 29 29 ASP N N 29 120.231 122.856 -2.625 1
1 357 . 20 1 1 A 30 30 THR H H 30 7.830 8.275 -0.445 1
1 358 . 20 1 1 A 30 30 THR HA H 30 3.742 4.705 -0.963 1
1 363 . 20 1 1 A 30 30 THR C C 30 172.987 173.460 -0.473 1
1 364 . 20 1 1 A 30 30 THR CA C 30 61.299 60.301 0.998 1
1 365 . 20 1 1 A 30 30 THR CB C 30 69.294 69.206 0.088 1
1 367 . 20 1 1 A 30 30 THR N N 30 115.459 120.922 -5.463 1
1 368 . 20 1 1 A 31 31 SER H H 31 8.561 8.743 -0.182 1
1 369 . 20 1 1 A 31 31 SER HA H 31 3.875 4.652 -0.777 1
1 372 . 20 1 1 A 31 31 SER CA C 31 63.520 59.492 4.028 1
1 373 . 20 1 1 A 31 31 SER CB C 31 62.332 65.136 -2.804 1
1 374 . 20 1 1 A 31 31 SER N N 31 119.763 125.407 -5.644 1
1 375 . 20 1 1 A 32 32 THR HA H 32 3.961 3.905 0.056 1
1 380 . 20 1 1 A 32 32 THR C C 32 173.850 176.116 -2.266 1
1 381 . 20 1 1 A 32 32 THR CA C 32 65.447 66.859 -1.412 1
1 382 . 20 1 1 A 32 32 THR CB C 32 68.715 68.658 0.057 1
1 384 . 20 1 1 A 33 33 LEU H H 33 7.209 8.038 -0.829 1
1 385 . 20 1 1 A 33 33 LEU HA H 33 3.950 3.915 0.035 1
1 395 . 20 1 1 A 33 33 LEU C C 33 174.505 178.584 -4.079 1
1 396 . 20 1 1 A 33 33 LEU CA C 33 57.653 58.218 -0.565 1
1 397 . 20 1 1 A 33 33 LEU CB C 33 42.210 41.423 0.787 1
1 401 . 20 1 1 A 33 33 LEU N N 33 125.158 121.606 3.552 1
1 402 . 20 1 1 A 34 34 LYS H H 34 8.671 7.943 0.728 1
1 403 . 20 1 1 A 34 34 LYS HA H 34 3.552 3.714 -0.162 1
1 412 . 20 1 1 A 34 34 LYS C C 34 174.794 179.772 -4.978 1
1 413 . 20 1 1 A 34 34 LYS CA C 34 61.226 59.812 1.414 1
1 414 . 20 1 1 A 34 34 LYS CB C 34 32.880 32.215 0.665 1
1 418 . 20 1 1 A 34 34 LYS N N 34 119.112 118.518 0.594 1
1 419 . 20 1 1 A 35 35 GLU H H 35 7.813 8.094 -0.281 1
1 420 . 20 1 1 A 35 35 GLU HA H 35 3.863 4.008 -0.145 1
1 425 . 20 1 1 A 35 35 GLU C C 35 176.222 179.029 -2.807 1
1 426 . 20 1 1 A 35 35 GLU CA C 35 59.721 59.131 0.590 1
1 427 . 20 1 1 A 35 35 GLU CB C 35 29.898 29.226 0.672 1
1 429 . 20 1 1 A 35 35 GLU N N 35 116.554 120.600 -4.046 1
1 430 . 20 1 1 A 36 36 LEU H H 36 7.153 7.494 -0.341 1
1 431 . 20 1 1 A 36 36 LEU HA H 36 4.175 3.965 0.210 1
1 441 . 20 1 1 A 36 36 LEU C C 36 177.281 179.227 -1.946 1
1 442 . 20 1 1 A 36 36 LEU CA C 36 58.018 57.983 0.035 1
1 443 . 20 1 1 A 36 36 LEU CB C 36 41.720 41.162 0.558 1
1 447 . 20 1 1 A 36 36 LEU N N 36 119.071 118.820 0.251 1
1 448 . 20 1 1 A 37 37 LEU H H 37 8.245 8.041 0.204 1
1 449 . 20 1 1 A 37 37 LEU HA H 37 3.749 3.909 -0.160 1
1 459 . 20 1 1 A 37 37 LEU C C 37 177.903 179.454 -1.551 1
1 460 . 20 1 1 A 37 37 LEU CA C 37 58.278 58.132 0.146 1
1 461 . 20 1 1 A 37 37 LEU CB C 37 39.600 40.072 -0.472 1
1 465 . 20 1 1 A 37 37 LEU N N 37 121.326 118.987 2.339 1
1 466 . 20 1 1 A 38 38 GLU H H 38 8.641 8.258 0.383 1
1 467 . 20 1 1 A 38 38 GLU HA H 38 4.320 4.362 -0.042 1
1 472 . 20 1 1 A 38 38 GLU C C 38 177.074 179.335 -2.261 1
1 473 . 20 1 1 A 38 38 GLU CA C 38 59.619 59.414 0.205 1
1 474 . 20 1 1 A 38 38 GLU CB C 38 29.850 29.056 0.794 1
1 476 . 20 1 1 A 38 38 GLU N N 38 119.504 118.977 0.527 1
1 477 . 20 1 1 A 39 39 THR H H 39 7.653 7.580 0.073 1
1 478 . 20 1 1 A 39 39 THR HA H 39 4.097 4.078 0.019 1
1 483 . 20 1 1 A 39 39 THR C C 39 173.229 175.535 -2.306 1
1 484 . 20 1 1 A 39 39 THR CA C 39 65.080 65.067 0.013 1
1 485 . 20 1 1 A 39 39 THR CB C 39 69.952 68.365 1.587 1
1 487 . 20 1 1 A 39 39 THR N N 39 110.838 112.987 -2.149 1
1 488 . 20 1 1 A 40 40 TYR H H 40 7.478 7.492 -0.014 1
1 489 . 20 1 1 A 40 40 TYR HA H 40 4.073 4.680 -0.607 1
1 496 . 20 1 1 A 40 40 TYR C C 40 172.486 175.096 -2.610 1
1 497 . 20 1 1 A 40 40 TYR CA C 40 61.549 57.046 4.503 1
1 498 . 20 1 1 A 40 40 TYR CB C 40 37.140 38.103 -0.963 1
1 503 . 20 1 1 A 40 40 TYR N N 40 118.654 120.602 -1.948 1
1 504 . 20 1 1 A 41 41 GLN H H 41 7.901 8.120 -0.219 1
1 505 . 20 1 1 A 41 41 GLN HA H 41 3.963 4.004 -0.041 1
1 512 . 20 1 1 A 41 41 GLN C C 41 171.223 174.135 -2.912 1
1 513 . 20 1 1 A 41 41 GLN CA C 41 57.158 57.324 -0.166 1
1 514 . 20 1 1 A 41 41 GLN CB C 41 27.330 26.556 0.774 1
1 516 . 20 1 1 A 41 41 GLN N N 41 116.315 116.131 0.184 1
1 518 . 20 1 1 A 42 42 ARG H H 42 8.493 7.905 0.588 1
1 519 . 20 1 1 A 42 42 ARG HA H 42 5.052 4.923 0.129 1
1 527 . 20 1 1 A 42 42 ARG CA C 42 54.040 53.991 0.049 1
1 528 . 20 1 1 A 42 42 ARG CB C 42 30.650 31.610 -0.960 1
1 531 . 20 1 1 A 42 42 ARG N N 42 115.494 117.125 -1.631 1
1 533 . 20 1 1 A 43 43 PRO HA H 43 4.390 4.859 -0.469 1
1 540 . 20 1 1 A 43 43 PRO C C 43 172.836 176.382 -3.546 1
1 541 . 20 1 1 A 43 43 PRO CA C 43 63.574 62.775 0.799 1
1 542 . 20 1 1 A 43 43 PRO CB C 43 32.500 33.453 -0.953 1
1 545 . 20 1 1 A 44 44 PHE H H 44 7.742 8.591 -0.849 1
1 546 . 20 1 1 A 44 44 PHE HA H 44 5.281 5.166 0.115 1
1 554 . 20 1 1 A 44 44 PHE C C 44 170.840 172.227 -1.387 1
1 555 . 20 1 1 A 44 44 PHE CA C 44 56.174 56.144 0.030 1
1 556 . 20 1 1 A 44 44 PHE CB C 44 42.280 41.488 0.792 1
1 562 . 20 1 1 A 44 44 PHE N N 44 115.046 117.165 -2.119 1
1 563 . 20 1 1 A 45 45 LYS H H 45 8.944 9.251 -0.307 1
1 564 . 20 1 1 A 45 45 LYS HA H 45 4.641 4.906 -0.265 1
1 573 . 20 1 1 A 45 45 LYS C C 45 171.934 174.353 -2.419 1
1 574 . 20 1 1 A 45 45 LYS CA C 45 55.210 55.076 0.134 1
1 575 . 20 1 1 A 45 45 LYS CB C 45 35.600 34.330 1.270 1
1 579 . 20 1 1 A 45 45 LYS N N 45 121.090 120.961 0.129 1
1 580 . 20 1 1 A 46 46 LEU H H 46 8.897 9.040 -0.143 1
1 581 . 20 1 1 A 46 46 LEU HA H 46 5.332 5.587 -0.255 1
1 590 . 20 1 1 A 46 46 LEU C C 46 172.666 175.349 -2.683 1
1 591 . 20 1 1 A 46 46 LEU CA C 46 54.510 54.027 0.483 1
1 592 . 20 1 1 A 46 46 LEU CB C 46 44.620 44.391 0.229 1
1 595 . 20 1 1 A 46 46 LEU N N 46 128.615 129.140 -0.525 1
1 596 . 20 1 1 A 47 47 GLU H H 47 9.220 9.091 0.129 1
1 597 . 20 1 1 A 47 47 GLU HA H 47 4.911 4.998 -0.087 1
1 602 . 20 1 1 A 47 47 GLU C C 47 172.392 174.837 -2.445 1
1 603 . 20 1 1 A 47 47 GLU CA C 47 54.980 54.647 0.333 1
1 604 . 20 1 1 A 47 47 GLU CB C 47 34.490 34.152 0.338 1
1 606 . 20 1 1 A 47 47 GLU N N 47 125.300 125.132 0.168 1
1 607 . 20 1 1 A 48 48 PHE H H 48 9.157 9.203 -0.046 1
1 608 . 20 1 1 A 48 48 PHE HA H 48 4.302 4.785 -0.483 1
1 616 . 20 1 1 A 48 48 PHE C C 48 171.971 174.817 -2.846 1
1 617 . 20 1 1 A 48 48 PHE CA C 48 58.240 56.888 1.352 1
1 618 . 20 1 1 A 48 48 PHE CB C 48 39.410 39.247 0.163 1
1 624 . 20 1 1 A 48 48 PHE N N 48 126.911 125.803 1.108 1
1 625 . 20 1 1 A 49 49 LYS H H 49 8.256 8.618 -0.362 1
1 626 . 20 1 1 A 49 49 LYS HA H 49 4.176 4.097 0.079 1
1 635 . 20 1 1 A 49 49 LYS C C 49 172.030 175.990 -3.960 1
1 636 . 20 1 1 A 49 49 LYS CA C 49 55.244 57.858 -2.614 1
1 637 . 20 1 1 A 49 49 LYS CB C 49 32.640 32.967 -0.327 1
1 641 . 20 1 1 A 49 49 LYS N N 49 127.526 127.971 -0.445 1
1 642 . 20 1 1 A 50 50 ASN H H 50 7.062 6.818 0.244 1
1 643 . 20 1 1 A 50 50 ASN HA H 50 4.353 4.628 -0.275 1
1 648 . 20 1 1 A 50 50 ASN C C 50 171.278 172.446 -1.168 1
1 649 . 20 1 1 A 50 50 ASN CA C 50 53.807 52.703 1.104 1
1 650 . 20 1 1 A 50 50 ASN CB C 50 40.460 42.824 -2.364 1
1 651 . 20 1 1 A 50 50 ASN N N 50 115.764 112.613 3.151 1
1 653 . 20 1 1 A 51 51 THR H H 51 8.217 8.713 -0.496 1
1 654 . 20 1 1 A 51 51 THR HA H 51 4.685 4.896 -0.211 1
1 659 . 20 1 1 A 51 51 THR C C 51 171.816 174.671 -2.855 1
1 660 . 20 1 1 A 51 51 THR CA C 51 61.243 61.190 0.053 1
1 661 . 20 1 1 A 51 51 THR CB C 51 70.632 70.639 -0.007 1
1 663 . 20 1 1 A 51 51 THR N N 51 114.341 119.927 -5.586 1
1 664 . 20 1 1 A 52 52 SER H H 52 8.314 8.837 -0.523 1
1 665 . 20 1 1 A 52 52 SER HA H 52 4.395 4.487 -0.092 1
1 668 . 20 1 1 A 52 52 SER CA C 52 58.470 59.178 -0.708 1
1 669 . 20 1 1 A 52 52 SER CB C 52 64.580 64.033 0.547 1
1 670 . 20 1 1 A 52 52 SER N N 52 118.503 122.248 -3.745 1
1 671 . 20 1 1 A 54 54 ASN HA H 54 4.484 4.704 -0.220 1
1 676 . 20 1 1 A 54 54 ASN C C 54 171.753 174.841 -3.088 1
1 677 . 20 1 1 A 54 54 ASN CA C 54 53.296 53.959 -0.663 1
1 678 . 20 1 1 A 54 54 ASN CB C 54 38.080 38.723 -0.643 1
1 680 . 20 1 1 A 55 55 ALA H H 55 7.927 8.210 -0.283 1
1 681 . 20 1 1 A 55 55 ALA HA H 55 3.759 4.190 -0.431 1
1 685 . 20 1 1 A 55 55 ALA C C 55 173.386 176.948 -3.562 1
1 686 . 20 1 1 A 55 55 ALA CA C 55 53.266 53.476 -0.210 1
1 687 . 20 1 1 A 55 55 ALA CB C 55 18.180 17.830 0.350 1
1 688 . 20 1 1 A 55 55 ALA N N 55 120.429 119.865 0.564 1
1 689 . 20 1 1 A 56 56 LYS H H 56 7.426 7.468 -0.042 1
1 690 . 20 1 1 A 56 56 LYS HA H 56 3.919 3.838 0.081 1
1 702 . 20 1 1 A 56 56 LYS C C 56 172.612 175.671 -3.059 1
1 703 . 20 1 1 A 56 56 LYS CA C 56 57.113 57.477 -0.364 1
1 704 . 20 1 1 A 56 56 LYS CB C 56 33.566 33.017 0.549 1
1 708 . 20 1 1 A 56 56 LYS N N 56 116.392 117.122 -0.730 1
1 710 . 20 1 1 A 57 57 PHE H H 57 7.253 7.657 -0.404 1
1 711 . 20 1 1 A 57 57 PHE HA H 57 5.062 4.967 0.095 1
1 719 . 20 1 1 A 57 57 PHE C C 57 171.527 173.951 -2.424 1
1 720 . 20 1 1 A 57 57 PHE CA C 57 54.920 56.049 -1.129 1
1 721 . 20 1 1 A 57 57 PHE CB C 57 41.910 39.984 1.926 1
1 727 . 20 1 1 A 57 57 PHE N N 57 113.835 116.556 -2.721 1
1 728 . 20 1 1 A 58 58 TYR H H 58 9.172 9.371 -0.199 1
1 729 . 20 1 1 A 58 58 TYR HA H 58 4.746 5.274 -0.528 1
1 736 . 20 1 1 A 58 58 TYR C C 58 171.294 175.155 -3.861 1
1 737 . 20 1 1 A 58 58 TYR CA C 58 57.770 57.608 0.162 1
1 738 . 20 1 1 A 58 58 TYR CB C 58 41.784 40.096 1.688 1
1 743 . 20 1 1 A 58 58 TYR N N 58 121.139 124.552 -3.413 1
1 744 . 20 1 1 A 59 59 SER H H 59 8.786 9.007 -0.221 1
1 745 . 20 1 1 A 59 59 SER HA H 59 5.399 5.004 0.395 1
1 748 . 20 1 1 A 59 59 SER C C 59 170.105 173.732 -3.627 1
1 749 . 20 1 1 A 59 59 SER CA C 59 57.650 58.321 -0.671 1
1 750 . 20 1 1 A 59 59 SER CB C 59 65.220 63.728 1.492 1
1 751 . 20 1 1 A 59 59 SER N N 59 118.511 121.340 -2.829 1
1 752 . 20 1 1 A 60 60 PHE H H 60 9.389 9.866 -0.477 1
1 753 . 20 1 1 A 60 60 PHE HA H 60 5.210 5.300 -0.090 1
1 761 . 20 1 1 A 60 60 PHE C C 60 172.188 174.461 -2.273 1
1 762 . 20 1 1 A 60 60 PHE CA C 60 56.824 56.669 0.155 1
1 763 . 20 1 1 A 60 60 PHE CB C 60 43.645 42.466 1.179 1
1 769 . 20 1 1 A 60 60 PHE N N 60 121.864 125.960 -4.096 1
1 770 . 20 1 1 A 61 61 ASN H H 61 9.448 9.277 0.171 1
1 771 . 20 1 1 A 61 61 ASN HA H 61 5.564 5.689 -0.125 1
1 776 . 20 1 1 A 61 61 ASN C C 61 171.756 174.116 -2.360 1
1 777 . 20 1 1 A 61 61 ASN CA C 61 53.012 52.151 0.861 1
1 778 . 20 1 1 A 61 61 ASN CB C 61 42.580 42.231 0.349 1
1 779 . 20 1 1 A 61 61 ASN N N 61 121.107 119.204 1.903 1
1 781 . 20 1 1 A 62 62 VAL H H 62 9.361 9.081 0.280 1
1 782 . 20 1 1 A 62 62 VAL HA H 62 5.159 5.156 0.003 1
1 790 . 20 1 1 A 62 62 VAL C C 62 171.964 174.994 -3.030 1
1 791 . 20 1 1 A 62 62 VAL CA C 62 60.991 61.416 -0.425 1
1 792 . 20 1 1 A 62 62 VAL CB C 62 35.350 33.973 1.377 1
1 795 . 20 1 1 A 62 62 VAL N N 62 126.781 125.769 1.012 1
1 796 . 20 1 1 A 63 63 SER H H 63 8.750 9.330 -0.580 1
1 797 . 20 1 1 A 63 63 SER HA H 63 5.955 5.605 0.350 1
1 800 . 20 1 1 A 63 63 SER C C 63 171.905 173.370 -1.465 1
1 801 . 20 1 1 A 63 63 SER CA C 63 56.587 57.899 -1.312 1
1 802 . 20 1 1 A 63 63 SER CB C 63 65.231 64.078 1.153 1
1 803 . 20 1 1 A 63 63 SER N N 63 120.886 125.605 -4.719 1
1 804 . 20 1 1 A 64 64 MET H H 64 8.918 9.121 -0.203 1
1 805 . 20 1 1 A 64 64 MET HA H 64 4.622 5.346 -0.724 1
1 813 . 20 1 1 A 64 64 MET C C 64 170.352 175.216 -4.864 1
1 814 . 20 1 1 A 64 64 MET CA C 64 55.950 53.776 2.174 1
1 815 . 20 1 1 A 64 64 MET CB C 64 38.000 35.900 2.100 1
1 818 . 20 1 1 A 64 64 MET N N 64 123.839 122.763 1.076 1
1 819 . 20 1 1 A 65 65 GLU H H 65 9.213 8.538 0.675 1
1 820 . 20 1 1 A 65 65 GLU HA H 65 4.740 5.004 -0.264 1
1 825 . 20 1 1 A 65 65 GLU C C 65 172.659 176.474 -3.815 1
1 826 . 20 1 1 A 65 65 GLU CA C 65 57.547 56.800 0.747 1
1 827 . 20 1 1 A 65 65 GLU CB C 65 31.100 30.219 0.881 1
1 829 . 20 1 1 A 65 65 GLU N N 65 125.938 120.793 5.145 1
1 830 . 20 1 1 A 66 66 VAL H H 66 9.031 9.012 0.019 1
1 831 . 20 1 1 A 66 66 VAL HA H 66 4.632 4.681 -0.049 1
1 839 . 20 1 1 A 66 66 VAL C C 66 174.252 176.448 -2.196 1
1 840 . 20 1 1 A 66 66 VAL CA C 66 59.454 61.256 -1.802 1
1 841 . 20 1 1 A 66 66 VAL CB C 66 35.450 33.504 1.946 1
1 844 . 20 1 1 A 66 66 VAL N N 66 117.398 122.561 -5.163 1
1 845 . 20 1 1 A 67 67 SER H H 67 9.309 8.945 0.364 1
1 846 . 20 1 1 A 67 67 SER HA H 67 4.185 4.378 -0.193 1
1 849 . 20 1 1 A 67 67 SER C C 67 170.646 174.953 -4.307 1
1 850 . 20 1 1 A 67 67 SER CA C 67 61.719 60.694 1.025 1
1 851 . 20 1 1 A 67 67 SER CB C 67 64.540 63.716 0.824 1
1 852 . 20 1 1 A 67 67 SER N N 67 116.754 120.909 -4.155 1
1 853 . 20 1 1 A 68 68 ASN H H 68 7.279 7.764 -0.485 1
1 854 . 20 1 1 A 68 68 ASN HA H 68 3.345 4.599 -1.254 1
1 859 . 20 1 1 A 68 68 ASN C C 68 170.781 175.041 -4.260 1
1 860 . 20 1 1 A 68 68 ASN CA C 68 51.758 52.217 -0.459 1
1 861 . 20 1 1 A 68 68 ASN CB C 68 38.809 39.119 -0.310 1
1 862 . 20 1 1 A 68 68 ASN N N 68 110.062 115.352 -5.290 1
1 864 . 20 1 1 A 69 69 GLU H H 69 8.126 8.291 -0.165 1
1 865 . 20 1 1 A 69 69 GLU HA H 69 3.337 3.511 -0.174 1
1 870 . 20 1 1 A 69 69 GLU C C 69 174.537 178.023 -3.486 1
1 871 . 20 1 1 A 69 69 GLU CA C 69 59.749 59.441 0.308 1
1 872 . 20 1 1 A 69 69 GLU CB C 69 30.250 29.174 1.076 1
1 874 . 20 1 1 A 69 69 GLU N N 69 120.604 119.462 1.142 1
1 875 . 20 1 1 A 70 70 SER H H 70 7.981 8.005 -0.024 1
1 876 . 20 1 1 A 70 70 SER HA H 70 4.030 3.988 0.042 1
1 879 . 20 1 1 A 70 70 SER C C 70 174.715 176.833 -2.118 1
1 880 . 20 1 1 A 70 70 SER CA C 70 62.097 61.751 0.346 1
1 881 . 20 1 1 A 70 70 SER CB C 70 62.350 62.720 -0.370 1
1 882 . 20 1 1 A 70 70 SER N N 70 114.770 116.969 -2.199 1
1 883 . 20 1 1 A 71 71 GLU H H 71 8.572 7.471 1.101 1
1 884 . 20 1 1 A 71 71 GLU HA H 71 3.927 4.060 -0.133 1
1 889 . 20 1 1 A 71 71 GLU C C 71 174.769 179.444 -4.675 1
1 890 . 20 1 1 A 71 71 GLU CA C 71 59.849 59.454 0.395 1
1 891 . 20 1 1 A 71 71 GLU CB C 71 30.950 29.666 1.284 1
1 893 . 20 1 1 A 71 71 GLU N N 71 124.163 121.748 2.415 1
1 894 . 20 1 1 A 72 72 ARG H H 72 7.797 7.751 0.046 1
1 895 . 20 1 1 A 72 72 ARG HA H 72 3.776 4.324 -0.548 1
1 900 . 20 1 1 A 72 72 ARG C C 72 177.552 178.310 -0.758 1
1 901 . 20 1 1 A 72 72 ARG CA C 72 58.680 58.490 0.190 1
1 902 . 20 1 1 A 72 72 ARG CB C 72 30.110 29.617 0.493 1
1 905 . 20 1 1 A 72 72 ARG N N 72 118.396 120.214 -1.818 1
1 906 . 20 1 1 A 73 73 ASN H H 73 8.175 7.650 0.525 1
1 907 . 20 1 1 A 73 73 ASN HA H 73 4.461 4.619 -0.158 1
1 912 . 20 1 1 A 73 73 ASN C C 73 174.089 177.733 -3.644 1
1 913 . 20 1 1 A 73 73 ASN CA C 73 55.500 55.155 0.345 1
1 914 . 20 1 1 A 73 73 ASN CB C 73 37.844 38.846 -1.002 1
1 915 . 20 1 1 A 73 73 ASN N N 73 118.156 116.807 1.349 1
1 917 . 20 1 1 A 74 74 GLU H H 74 8.473 8.347 0.126 1
1 918 . 20 1 1 A 74 74 GLU HA H 74 3.954 4.082 -0.128 1
1 923 . 20 1 1 A 74 74 GLU C C 74 175.719 179.093 -3.374 1
1 924 . 20 1 1 A 74 74 GLU CA C 74 60.093 59.181 0.912 1
1 925 . 20 1 1 A 74 74 GLU CB C 74 30.460 29.612 0.848 1
1 927 . 20 1 1 A 74 74 GLU N N 74 124.825 119.956 4.869 1
1 928 . 20 1 1 A 75 75 ILE H H 75 8.273 8.245 0.028 1
1 929 . 20 1 1 A 75 75 ILE HA H 75 3.229 3.776 -0.547 1
1 939 . 20 1 1 A 75 75 ILE C C 75 174.591 178.121 -3.530 1
1 940 . 20 1 1 A 75 75 ILE CA C 75 66.460 65.424 1.036 1
1 941 . 20 1 1 A 75 75 ILE CB C 75 38.262 37.573 0.689 1
1 945 . 20 1 1 A 75 75 ILE N N 75 120.282 120.304 -0.022 1
1 946 . 20 1 1 A 76 76 PHE H H 76 7.233 8.545 -1.312 1
1 947 . 20 1 1 A 76 76 PHE HA H 76 3.600 3.957 -0.357 1
1 955 . 20 1 1 A 76 76 PHE C C 76 175.036 177.357 -2.321 1
1 956 . 20 1 1 A 76 76 PHE CA C 76 62.227 61.952 0.275 1
1 957 . 20 1 1 A 76 76 PHE CB C 76 40.170 39.197 0.973 1
1 963 . 20 1 1 A 76 76 PHE N N 76 117.265 120.547 -3.282 1
1 964 . 20 1 1 A 77 77 GLN H H 77 8.262 8.195 0.067 1
1 965 . 20 1 1 A 77 77 GLN HA H 77 3.753 3.809 -0.056 1
1 972 . 20 1 1 A 77 77 GLN C C 77 176.132 178.973 -2.841 1
1 973 . 20 1 1 A 77 77 GLN CA C 77 59.113 59.405 -0.292 1
1 974 . 20 1 1 A 77 77 GLN CB C 77 28.487 28.498 -0.011 1
1 976 . 20 1 1 A 77 77 GLN N N 77 118.919 118.537 0.382 1
1 978 . 20 1 1 A 78 78 LYS H H 78 8.508 7.676 0.832 1
1 979 . 20 1 1 A 78 78 LYS HA H 78 3.804 4.048 -0.244 1
1 988 . 20 1 1 A 78 78 LYS C C 78 177.438 179.655 -2.217 1
1 989 . 20 1 1 A 78 78 LYS CA C 78 60.107 59.373 0.734 1
1 990 . 20 1 1 A 78 78 LYS CB C 78 33.160 32.518 0.642 1
1 994 . 20 1 1 A 78 78 LYS N N 78 119.345 119.996 -0.651 1
1 995 . 20 1 1 A 79 79 ILE H H 79 8.395 7.978 0.417 1
1 996 . 20 1 1 A 79 79 ILE HA H 79 3.182 3.692 -0.510 1
1 1006 . 20 1 1 A 79 79 ILE C C 79 174.721 176.619 -1.898 1
1 1007 . 20 1 1 A 79 79 ILE CA C 79 66.280 64.678 1.602 1
1 1008 . 20 1 1 A 79 79 ILE CB C 79 38.360 37.360 1.000 1
1 1012 . 20 1 1 A 79 79 ILE N N 79 120.117 120.840 -0.723 1
1 1013 . 20 1 1 A 80 80 SER H H 80 7.459 7.442 0.017 1
1 1014 . 20 1 1 A 80 80 SER HA H 80 3.868 4.231 -0.363 1
1 1017 . 20 1 1 A 80 80 SER C C 80 171.998 174.810 -2.812 1
1 1018 . 20 1 1 A 80 80 SER CA C 80 61.444 59.277 2.167 1
1 1019 . 20 1 1 A 80 80 SER CB C 80 63.500 62.967 0.533 1
1 1020 . 20 1 1 A 80 80 SER N N 80 110.857 114.732 -3.875 1
1 1021 . 20 1 1 A 81 81 GLN H H 81 7.095 7.643 -0.548 1
1 1022 . 20 1 1 A 81 81 GLN HA H 81 4.143 4.310 -0.167 1
1 1029 . 20 1 1 A 81 81 GLN C C 81 173.743 177.291 -3.548 1
1 1030 . 20 1 1 A 81 81 GLN CA C 81 55.894 55.996 -0.102 1
1 1031 . 20 1 1 A 81 81 GLN CB C 81 29.390 29.069 0.321 1
1 1033 . 20 1 1 A 81 81 GLN N N 81 117.056 119.685 -2.629 1
1 1035 . 20 1 1 A 82 82 LEU H H 82 7.495 7.648 -0.153 1
1 1036 . 20 1 1 A 82 82 LEU HA H 82 4.064 4.137 -0.073 1
1 1046 . 20 1 1 A 82 82 LEU C C 82 175.685 176.230 -0.545 1
1 1047 . 20 1 1 A 82 82 LEU CA C 82 55.730 55.811 -0.081 1
1 1048 . 20 1 1 A 82 82 LEU CB C 82 41.740 42.240 -0.500 1
1 1052 . 20 1 1 A 82 82 LEU N N 82 123.191 119.456 3.735 1
1 1053 . 20 1 1 A 83 83 ASP H H 83 8.330 8.179 0.151 1
1 1054 . 20 1 1 A 83 83 ASP HA H 83 4.260 4.551 -0.291 1
1 1057 . 20 1 1 A 83 83 ASP C C 83 174.543 177.169 -2.626 1
1 1058 . 20 1 1 A 83 83 ASP CA C 83 57.056 55.762 1.294 1
1 1059 . 20 1 1 A 83 83 ASP CB C 83 41.590 40.638 0.952 1
1 1060 . 20 1 1 A 83 83 ASP N N 83 122.600 118.830 3.770 1
1 1061 . 20 1 1 A 84 84 LYS H H 84 8.152 8.292 -0.140 1
1 1062 . 20 1 1 A 84 84 LYS HA H 84 4.060 4.314 -0.254 1
1 1071 . 20 1 1 A 84 84 LYS C C 84 172.461 176.803 -4.342 1
1 1072 . 20 1 1 A 84 84 LYS CA C 84 57.301 57.601 -0.300 1
1 1073 . 20 1 1 A 84 84 LYS CB C 84 31.140 33.042 -1.902 1
1 1077 . 20 1 1 A 84 84 LYS N N 84 113.797 117.039 -3.242 1
1 1078 . 20 1 1 A 85 85 VAL H H 85 7.290 7.548 -0.258 1
1 1079 . 20 1 1 A 85 85 VAL HA H 85 4.230 4.261 -0.031 1
1 1087 . 20 1 1 A 85 85 VAL C C 85 173.934 175.225 -1.291 1
1 1088 . 20 1 1 A 85 85 VAL CA C 85 63.300 62.661 0.639 1
1 1089 . 20 1 1 A 85 85 VAL CB C 85 32.320 32.639 -0.319 1
1 1092 . 20 1 1 A 85 85 VAL N N 85 118.733 119.512 -0.779 1
1 1093 . 20 1 1 A 86 86 VAL H H 86 9.093 9.240 -0.147 1
1 1094 . 20 1 1 A 86 86 VAL HA H 86 4.165 4.307 -0.142 1
1 1102 . 20 1 1 A 86 86 VAL C C 86 173.235 175.340 -2.105 1
1 1103 . 20 1 1 A 86 86 VAL CA C 86 62.144 63.246 -1.102 1
1 1104 . 20 1 1 A 86 86 VAL CB C 86 33.397 33.549 -0.152 1
1 1107 . 20 1 1 A 86 86 VAL N N 86 125.341 127.993 -2.652 1
1 1108 . 20 1 1 A 87 87 GLN H H 87 7.727 7.647 0.080 1
1 1109 . 20 1 1 A 87 87 GLN HA H 87 4.437 4.816 -0.379 1
1 1114 . 20 1 1 A 87 87 GLN C C 87 170.954 174.006 -3.052 1
1 1115 . 20 1 1 A 87 87 GLN CA C 87 56.370 55.501 0.869 1
1 1116 . 20 1 1 A 87 87 GLN CB C 87 32.420 31.828 0.592 1
1 1118 . 20 1 1 A 87 87 GLN N N 87 119.469 120.295 -0.826 1
1 1119 . 20 1 1 A 88 88 THR H H 88 8.087 8.884 -0.797 1
1 1120 . 20 1 1 A 88 88 THR HA H 88 4.857 5.435 -0.578 1
1 1125 . 20 1 1 A 88 88 THR CA C 88 61.850 60.448 1.402 1
1 1126 . 20 1 1 A 88 88 THR CB C 88 69.900 70.459 -0.559 1
1 1128 . 20 1 1 A 88 88 THR N N 88 119.679 117.670 2.009 1
1 1129 . 20 1 1 A 89 89 LEU HA H 89 4.851 5.180 -0.329 1
1 1139 . 20 1 1 A 89 89 LEU C C 89 174.211 176.778 -2.567 1
1 1140 . 20 1 1 A 89 89 LEU CA C 89 54.590 53.265 1.325 1
1 1141 . 20 1 1 A 89 89 LEU CB C 89 44.176 44.269 -0.093 1
1 1145 . 20 1 1 A 90 90 GLY H H 90 8.697 8.782 -0.085 1
1 1146 . 20 1 1 A 90 90 GLY HA2 H 90 4.181 3.896 0.285 1
1 1147 . 20 1 1 A 90 90 GLY HA3 H 90 4.267 4.162 0.105 1
1 1148 . 20 1 1 A 90 90 GLY C C 90 170.516 174.283 -3.767 1
1 1149 . 20 1 1 A 90 90 GLY CA C 90 45.810 46.779 -0.969 1
1 1150 . 20 1 1 A 90 90 GLY N N 90 109.859 113.625 -3.766 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 80 2.959 1
2 1 1 1 "RMS(OBS, PRED)" CA 87 1.220 1
3 1 1 1 "RMS(OBS, PRED)" CB 85 1.143 1
4 1 1 1 "RMS(OBS, PRED)" H 79 0.514 1
5 1 1 1 "RMS(OBS, PRED)" HA 89 0.395 1
6 1 1 1 "RMS(OBS, PRED)" N 79 2.659 1
7 1 2 1 "RMS(OBS, PRED)" C 80 3.066 1
8 1 2 1 "RMS(OBS, PRED)" CA 87 1.126 1
9 1 2 1 "RMS(OBS, PRED)" CB 85 1.218 1
10 1 2 1 "RMS(OBS, PRED)" H 79 0.491 1
11 1 2 1 "RMS(OBS, PRED)" HA 89 0.359 1
12 1 2 1 "RMS(OBS, PRED)" N 79 2.719 1
13 1 3 1 "RMS(OBS, PRED)" C 80 2.999 1
14 1 3 1 "RMS(OBS, PRED)" CA 87 1.127 1
15 1 3 1 "RMS(OBS, PRED)" CB 85 1.284 1
16 1 3 1 "RMS(OBS, PRED)" H 79 0.524 1
17 1 3 1 "RMS(OBS, PRED)" HA 89 0.416 1
18 1 3 1 "RMS(OBS, PRED)" N 79 2.878 1
19 1 4 1 "RMS(OBS, PRED)" C 80 3.084 1
20 1 4 1 "RMS(OBS, PRED)" CA 87 1.266 1
21 1 4 1 "RMS(OBS, PRED)" CB 85 1.259 1
22 1 4 1 "RMS(OBS, PRED)" H 79 0.523 1
23 1 4 1 "RMS(OBS, PRED)" HA 89 0.384 1
24 1 4 1 "RMS(OBS, PRED)" N 79 2.861 1
25 1 5 1 "RMS(OBS, PRED)" C 80 3.002 1
26 1 5 1 "RMS(OBS, PRED)" CA 87 1.306 1
27 1 5 1 "RMS(OBS, PRED)" CB 85 1.183 1
28 1 5 1 "RMS(OBS, PRED)" H 79 0.549 1
29 1 5 1 "RMS(OBS, PRED)" HA 89 0.374 1
30 1 5 1 "RMS(OBS, PRED)" N 79 3.015 1
31 1 6 1 "RMS(OBS, PRED)" C 80 3.007 1
32 1 6 1 "RMS(OBS, PRED)" CA 87 1.285 1
33 1 6 1 "RMS(OBS, PRED)" CB 85 1.187 1
34 1 6 1 "RMS(OBS, PRED)" H 79 0.536 1
35 1 6 1 "RMS(OBS, PRED)" HA 89 0.417 1
36 1 6 1 "RMS(OBS, PRED)" N 79 2.704 1
37 1 7 1 "RMS(OBS, PRED)" C 80 2.996 1
38 1 7 1 "RMS(OBS, PRED)" CA 87 1.217 1
39 1 7 1 "RMS(OBS, PRED)" CB 85 1.093 1
40 1 7 1 "RMS(OBS, PRED)" H 79 0.525 1
41 1 7 1 "RMS(OBS, PRED)" HA 89 0.395 1
42 1 7 1 "RMS(OBS, PRED)" N 79 2.833 1
43 1 8 1 "RMS(OBS, PRED)" C 80 3.060 1
44 1 8 1 "RMS(OBS, PRED)" CA 87 1.220 1
45 1 8 1 "RMS(OBS, PRED)" CB 85 1.093 1
46 1 8 1 "RMS(OBS, PRED)" H 79 0.479 1
47 1 8 1 "RMS(OBS, PRED)" HA 89 0.362 1
48 1 8 1 "RMS(OBS, PRED)" N 79 2.877 1
49 1 9 1 "RMS(OBS, PRED)" C 80 3.071 1
50 1 9 1 "RMS(OBS, PRED)" CA 87 1.315 1
51 1 9 1 "RMS(OBS, PRED)" CB 85 1.219 1
52 1 9 1 "RMS(OBS, PRED)" H 79 0.511 1
53 1 9 1 "RMS(OBS, PRED)" HA 89 0.376 1
54 1 9 1 "RMS(OBS, PRED)" N 79 2.568 1
55 1 10 1 "RMS(OBS, PRED)" C 80 2.984 1
56 1 10 1 "RMS(OBS, PRED)" CA 87 1.241 1
57 1 10 1 "RMS(OBS, PRED)" CB 85 1.267 1
58 1 10 1 "RMS(OBS, PRED)" H 79 0.508 1
59 1 10 1 "RMS(OBS, PRED)" HA 89 0.376 1
60 1 10 1 "RMS(OBS, PRED)" N 79 2.922 1
61 1 11 1 "RMS(OBS, PRED)" C 80 3.022 1
62 1 11 1 "RMS(OBS, PRED)" CA 87 1.100 1
63 1 11 1 "RMS(OBS, PRED)" CB 85 1.088 1
64 1 11 1 "RMS(OBS, PRED)" H 79 0.530 1
65 1 11 1 "RMS(OBS, PRED)" HA 89 0.396 1
66 1 11 1 "RMS(OBS, PRED)" N 79 2.733 1
67 1 12 1 "RMS(OBS, PRED)" C 80 3.055 1
68 1 12 1 "RMS(OBS, PRED)" CA 87 1.292 1
69 1 12 1 "RMS(OBS, PRED)" CB 85 1.265 1
70 1 12 1 "RMS(OBS, PRED)" H 79 0.523 1
71 1 12 1 "RMS(OBS, PRED)" HA 89 0.404 1
72 1 12 1 "RMS(OBS, PRED)" N 79 2.624 1
73 1 13 1 "RMS(OBS, PRED)" C 80 3.056 1
74 1 13 1 "RMS(OBS, PRED)" CA 87 1.259 1
75 1 13 1 "RMS(OBS, PRED)" CB 85 1.172 1
76 1 13 1 "RMS(OBS, PRED)" H 79 0.509 1
77 1 13 1 "RMS(OBS, PRED)" HA 89 0.370 1
78 1 13 1 "RMS(OBS, PRED)" N 79 2.611 1
79 1 14 1 "RMS(OBS, PRED)" C 80 3.031 1
80 1 14 1 "RMS(OBS, PRED)" CA 87 1.098 1
81 1 14 1 "RMS(OBS, PRED)" CB 85 1.132 1
82 1 14 1 "RMS(OBS, PRED)" H 79 0.500 1
83 1 14 1 "RMS(OBS, PRED)" HA 89 0.380 1
84 1 14 1 "RMS(OBS, PRED)" N 79 2.712 1
85 1 15 1 "RMS(OBS, PRED)" C 80 3.046 1
86 1 15 1 "RMS(OBS, PRED)" CA 87 1.079 1
87 1 15 1 "RMS(OBS, PRED)" CB 85 1.208 1
88 1 15 1 "RMS(OBS, PRED)" H 79 0.525 1
89 1 15 1 "RMS(OBS, PRED)" HA 89 0.377 1
90 1 15 1 "RMS(OBS, PRED)" N 79 2.861 1
91 1 16 1 "RMS(OBS, PRED)" C 80 2.977 1
92 1 16 1 "RMS(OBS, PRED)" CA 87 1.249 1
93 1 16 1 "RMS(OBS, PRED)" CB 85 1.179 1
94 1 16 1 "RMS(OBS, PRED)" H 79 0.466 1
95 1 16 1 "RMS(OBS, PRED)" HA 89 0.379 1
96 1 16 1 "RMS(OBS, PRED)" N 79 2.717 1
97 1 17 1 "RMS(OBS, PRED)" C 80 3.030 1
98 1 17 1 "RMS(OBS, PRED)" CA 87 1.317 1
99 1 17 1 "RMS(OBS, PRED)" CB 85 1.146 1
100 1 17 1 "RMS(OBS, PRED)" H 79 0.535 1
101 1 17 1 "RMS(OBS, PRED)" HA 89 0.390 1
102 1 17 1 "RMS(OBS, PRED)" N 79 3.059 1
103 1 18 1 "RMS(OBS, PRED)" C 80 2.988 1
104 1 18 1 "RMS(OBS, PRED)" CA 87 1.208 1
105 1 18 1 "RMS(OBS, PRED)" CB 85 1.109 1
106 1 18 1 "RMS(OBS, PRED)" H 79 0.500 1
107 1 18 1 "RMS(OBS, PRED)" HA 89 0.396 1
108 1 18 1 "RMS(OBS, PRED)" N 79 2.709 1
109 1 19 1 "RMS(OBS, PRED)" C 80 3.052 1
110 1 19 1 "RMS(OBS, PRED)" CA 87 1.255 1
111 1 19 1 "RMS(OBS, PRED)" CB 85 1.221 1
112 1 19 1 "RMS(OBS, PRED)" H 79 0.514 1
113 1 19 1 "RMS(OBS, PRED)" HA 89 0.392 1
114 1 19 1 "RMS(OBS, PRED)" N 79 2.788 1
115 1 20 1 "RMS(OBS, PRED)" C 80 3.027 1
116 1 20 1 "RMS(OBS, PRED)" CA 87 1.209 1
117 1 20 1 "RMS(OBS, PRED)" CB 85 1.316 1
118 1 20 1 "RMS(OBS, PRED)" H 79 0.499 1
119 1 20 1 "RMS(OBS, PRED)" HA 89 0.378 1
120 1 20 1 "RMS(OBS, PRED)" N 79 2.895 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 2 2 GLY HA2 H 2 3.721 4.024 -0.303 2
1 2 . 1 1 A 2 2 GLY HA3 H 2 3.721 4.060 -0.339 2
1 3 . 1 1 A 2 2 GLY CA C 2 43.440 45.651 -2.211 2
1 4 . 1 1 A 3 3 HIS HA H 3 4.602 5.056 -0.455 2
1 9 . 1 1 A 3 3 HIS C C 3 172.383 174.267 -1.884 2
1 10 . 1 1 A 3 3 HIS CA C 3 56.270 54.923 1.347 2
1 11 . 1 1 A 3 3 HIS CB C 3 30.850 31.778 -0.928 2
1 14 . 1 1 A 4 4 MET H H 4 8.397 8.715 -0.318 2
1 15 . 1 1 A 4 4 MET HA H 4 4.720 4.640 0.080 2
1 23 . 1 1 A 4 4 MET CA C 4 53.410 54.183 -0.773 2
1 24 . 1 1 A 4 4 MET CB C 4 32.550 32.929 -0.379 2
1 27 . 1 1 A 4 4 MET N N 4 123.715 123.432 0.283 2
1 28 . 1 1 A 5 5 PRO HA H 5 4.340 4.537 -0.197 2
1 35 . 1 1 A 5 5 PRO C C 5 174.369 176.664 -2.295 2
1 36 . 1 1 A 5 5 PRO CA C 5 63.686 63.086 0.600 2
1 37 . 1 1 A 5 5 PRO CB C 5 32.430 31.848 0.582 2
1 40 . 1 1 A 6 6 SER H H 6 8.337 8.368 -0.031 2
1 41 . 1 1 A 6 6 SER HA H 6 4.299 4.524 -0.225 2
1 44 . 1 1 A 6 6 SER C C 6 171.770 174.092 -2.322 2
1 45 . 1 1 A 6 6 SER CA C 6 58.800 58.381 0.419 2
1 46 . 1 1 A 6 6 SER CB C 6 63.896 63.516 0.380 2
1 47 . 1 1 A 6 6 SER N N 6 115.479 116.578 -1.099 2
1 48 . 1 1 A 7 7 ASP H H 7 8.269 8.523 -0.254 2
1 49 . 1 1 A 7 7 ASP HA H 7 4.545 4.663 -0.118 2
1 52 . 1 1 A 7 7 ASP C C 7 173.646 176.084 -2.438 2
1 53 . 1 1 A 7 7 ASP CA C 7 54.571 54.666 -0.095 2
1 54 . 1 1 A 7 7 ASP CB C 7 41.353 41.383 -0.030 2
1 55 . 1 1 A 7 7 ASP N N 7 122.367 124.620 -2.253 2
1 56 . 1 1 A 8 8 SER H H 8 8.126 8.228 -0.102 2
1 57 . 1 1 A 8 8 SER HA H 8 4.337 4.593 -0.256 2
1 60 . 1 1 A 8 8 SER C C 8 171.792 174.117 -2.325 2
1 61 . 1 1 A 8 8 SER CA C 8 58.950 58.417 0.533 2
1 62 . 1 1 A 8 8 SER CB C 8 64.140 63.624 0.516 2
1 63 . 1 1 A 8 8 SER N N 8 116.038 115.944 0.094 2
1 64 . 1 1 A 9 9 LYS H H 9 8.400 8.237 0.163 2
1 65 . 1 1 A 9 9 LYS HA H 9 4.225 4.398 -0.173 2
1 74 . 1 1 A 9 9 LYS C C 9 173.626 176.174 -2.549 2
1 75 . 1 1 A 9 9 LYS CA C 9 56.391 56.102 0.289 2
1 76 . 1 1 A 9 9 LYS CB C 9 32.970 33.403 -0.433 2
1 80 . 1 1 A 9 9 LYS N N 9 122.400 123.921 -1.521 2
1 81 . 1 1 A 10 10 LYS H H 10 8.180 8.585 -0.405 2
1 82 . 1 1 A 10 10 LYS HA H 10 4.493 4.433 0.060 2
1 91 . 1 1 A 10 10 LYS CA C 10 54.500 55.340 -0.840 2
1 92 . 1 1 A 10 10 LYS CB C 10 32.750 31.983 0.767 2
1 96 . 1 1 A 10 10 LYS N N 10 123.900 121.459 2.441 2
1 97 . 1 1 A 11 11 PRO HA H 11 4.404 4.499 -0.095 2
1 104 . 1 1 A 11 11 PRO C C 11 174.099 176.552 -2.453 2
1 105 . 1 1 A 11 11 PRO CA C 11 63.451 63.005 0.446 2
1 106 . 1 1 A 11 11 PRO CB C 11 32.405 32.001 0.404 2
1 109 . 1 1 A 12 12 THR H H 12 8.277 8.443 -0.166 2
1 110 . 1 1 A 12 12 THR HA H 12 4.156 4.415 -0.259 2
1 115 . 1 1 A 12 12 THR C C 12 171.255 174.297 -3.042 2
1 116 . 1 1 A 12 12 THR CA C 12 62.829 62.917 -0.088 2
1 117 . 1 1 A 12 12 THR CB C 12 70.113 68.838 1.275 2
1 119 . 1 1 A 12 12 THR N N 12 116.775 118.235 -1.460 2
1 120 . 1 1 A 13 13 ILE H H 13 8.141 8.995 -0.854 2
1 121 . 1 1 A 13 13 ILE HA H 13 3.880 4.515 -0.635 2
1 131 . 1 1 A 13 13 ILE C C 13 171.936 175.515 -3.579 2
1 132 . 1 1 A 13 13 ILE CA C 13 61.000 60.447 0.553 2
1 133 . 1 1 A 13 13 ILE CB C 13 38.957 38.666 0.291 2
1 137 . 1 1 A 13 13 ILE N N 13 126.554 128.208 -1.654 2
1 138 . 1 1 A 14 14 ILE H H 14 7.890 8.694 -0.804 2
1 139 . 1 1 A 14 14 ILE HA H 14 4.045 4.573 -0.528 2
1 149 . 1 1 A 14 14 ILE C C 14 171.624 174.945 -3.321 2
1 150 . 1 1 A 14 14 ILE CA C 14 60.132 60.740 -0.608 2
1 151 . 1 1 A 14 14 ILE CB C 14 38.760 38.057 0.703 2
1 155 . 1 1 A 14 14 ILE N N 14 127.503 128.424 -0.921 2
1 156 . 1 1 A 15 15 TYR H H 15 8.185 8.922 -0.737 2
1 165 . 1 1 A 15 15 TYR N N 15 123.664 126.716 -3.052 2
1 166 . 1 1 A 16 16 PRO HA H 16 5.087 5.324 -0.236 2
1 173 . 1 1 A 16 16 PRO C C 16 172.702 175.131 -2.429 2
1 174 . 1 1 A 16 16 PRO CA C 16 62.891 62.626 0.265 2
1 175 . 1 1 A 16 16 PRO CB C 16 36.288 33.029 3.259 2
1 178 . 1 1 A 17 17 CYS H H 17 8.579 8.537 0.042 2
1 179 . 1 1 A 17 17 CYS HA H 17 4.924 4.925 -0.001 2
1 182 . 1 1 A 17 17 CYS C C 17 169.725 173.555 -3.830 2
1 183 . 1 1 A 17 17 CYS CA C 17 55.925 57.889 -1.964 2
1 184 . 1 1 A 17 17 CYS CB C 17 31.200 31.638 -0.438 2
1 185 . 1 1 A 17 17 CYS N N 17 114.797 118.795 -3.998 2
1 186 . 1 1 A 18 18 LEU H H 18 8.449 8.584 -0.135 2
1 187 . 1 1 A 18 18 LEU HA H 18 4.336 4.694 -0.358 2
1 197 . 1 1 A 18 18 LEU C C 18 172.529 175.920 -3.391 2
1 198 . 1 1 A 18 18 LEU CA C 18 55.600 54.701 0.899 2
1 199 . 1 1 A 18 18 LEU CB C 18 42.550 41.621 0.929 2
1 203 . 1 1 A 18 18 LEU N N 18 122.242 123.367 -1.125 2
1 204 . 1 1 A 19 19 TRP H H 19 9.079 9.134 -0.055 2
1 205 . 1 1 A 19 19 TRP HA H 19 4.300 5.137 -0.837 2
1 214 . 1 1 A 19 19 TRP C C 19 170.195 174.482 -4.287 2
1 215 . 1 1 A 19 19 TRP CA C 19 56.750 55.889 0.861 2
1 216 . 1 1 A 19 19 TRP CB C 19 33.935 32.362 1.573 2
1 222 . 1 1 A 19 19 TRP N N 19 130.082 127.431 2.651 2
1 224 . 1 1 A 20 20 ASP H H 20 6.314 8.259 -1.945 2
1 225 . 1 1 A 20 20 ASP HA H 20 5.559 5.386 0.173 2
1 228 . 1 1 A 20 20 ASP C C 20 172.285 174.525 -2.240 2
1 229 . 1 1 A 20 20 ASP CA C 20 52.900 52.907 -0.008 2
1 230 . 1 1 A 20 20 ASP CB C 20 43.450 42.752 0.698 2
1 231 . 1 1 A 20 20 ASP N N 20 122.801 126.794 -3.993 2
1 232 . 1 1 A 21 21 TYR H H 21 9.519 9.607 -0.088 2
1 233 . 1 1 A 21 21 TYR HA H 21 4.975 5.270 -0.295 2
1 240 . 1 1 A 21 21 TYR C C 21 172.202 174.706 -2.503 2
1 241 . 1 1 A 21 21 TYR CA C 21 56.910 56.706 0.204 2
1 242 . 1 1 A 21 21 TYR CB C 21 40.850 41.006 -0.156 2
1 247 . 1 1 A 21 21 TYR N N 21 120.749 123.666 -2.917 2
1 248 . 1 1 A 22 22 ARG H H 22 8.758 9.042 -0.284 2
1 249 . 1 1 A 22 22 ARG HA H 22 5.189 4.853 0.336 2
1 256 . 1 1 A 22 22 ARG C C 22 172.210 175.162 -2.952 2
1 257 . 1 1 A 22 22 ARG CA C 22 55.180 55.746 -0.566 2
1 258 . 1 1 A 22 22 ARG CB C 22 31.360 31.368 -0.008 2
1 261 . 1 1 A 22 22 ARG N N 22 124.405 125.131 -0.726 2
1 262 . 1 1 A 23 23 VAL H H 23 9.170 9.271 -0.101 2
1 263 . 1 1 A 23 23 VAL HA H 23 4.591 4.777 -0.186 2
1 271 . 1 1 A 23 23 VAL C C 23 171.354 174.983 -3.629 2
1 272 . 1 1 A 23 23 VAL CA C 23 61.836 61.648 0.188 2
1 273 . 1 1 A 23 23 VAL CB C 23 35.725 33.197 2.528 2
1 276 . 1 1 A 23 23 VAL N N 23 125.900 127.360 -1.460 2
1 277 . 1 1 A 24 24 ILE H H 24 8.919 9.255 -0.336 2
1 278 . 1 1 A 24 24 ILE HA H 24 5.119 5.193 -0.074 2
1 288 . 1 1 A 24 24 ILE C C 24 173.492 175.265 -1.773 2
1 289 . 1 1 A 24 24 ILE CA C 24 60.567 60.468 0.098 2
1 290 . 1 1 A 24 24 ILE CB C 24 38.346 38.759 -0.413 2
1 294 . 1 1 A 24 24 ILE N N 24 127.789 128.885 -1.096 2
1 295 . 1 1 A 25 25 MET H H 25 9.857 9.106 0.751 2
1 296 . 1 1 A 25 25 MET HA H 25 6.017 5.297 0.720 2
1 304 . 1 1 A 25 25 MET C C 25 174.379 176.825 -2.446 2
1 305 . 1 1 A 25 25 MET CA C 25 54.898 54.286 0.612 2
1 306 . 1 1 A 25 25 MET CB C 25 40.260 36.396 3.864 2
1 309 . 1 1 A 25 25 MET N N 25 124.403 126.311 -1.908 2
1 310 . 1 1 A 26 26 THR H H 26 8.843 8.606 0.237 2
1 311 . 1 1 A 26 26 THR HA H 26 4.875 4.824 0.051 2
1 316 . 1 1 A 26 26 THR C C 26 170.849 174.142 -3.293 2
1 317 . 1 1 A 26 26 THR CA C 26 61.826 61.847 -0.021 2
1 318 . 1 1 A 26 26 THR CB C 26 68.846 68.851 -0.005 2
1 320 . 1 1 A 26 26 THR N N 26 108.669 112.780 -4.111 2
1 321 . 1 1 A 27 27 THR H H 27 7.342 7.831 -0.489 2
1 322 . 1 1 A 27 27 THR HA H 27 4.618 4.781 -0.163 2
1 327 . 1 1 A 27 27 THR C C 27 166.898 173.255 -6.357 2
1 328 . 1 1 A 27 27 THR CA C 27 58.657 60.307 -1.650 2
1 329 . 1 1 A 27 27 THR CB C 27 69.696 70.659 -0.963 2
1 331 . 1 1 A 27 27 THR N N 27 114.866 114.807 0.059 2
1 332 . 1 1 A 28 28 LYS H H 28 7.638 8.606 -0.968 2
1 333 . 1 1 A 28 28 LYS HA H 28 3.991 4.459 -0.468 2
1 342 . 1 1 A 28 28 LYS C C 28 173.190 176.585 -3.395 2
1 343 . 1 1 A 28 28 LYS CA C 28 55.731 56.666 -0.935 2
1 344 . 1 1 A 28 28 LYS CB C 28 32.790 32.313 0.477 2
1 348 . 1 1 A 28 28 LYS N N 28 121.283 124.681 -3.398 2
1 349 . 1 1 A 29 29 ASP H H 29 8.184 7.591 0.593 2
1 350 . 1 1 A 29 29 ASP HA H 29 4.401 4.614 -0.213 2
1 353 . 1 1 A 29 29 ASP C C 29 173.830 174.718 -0.888 2
1 354 . 1 1 A 29 29 ASP CA C 29 53.979 53.187 0.792 2
1 355 . 1 1 A 29 29 ASP CB C 29 40.730 40.022 0.708 2
1 356 . 1 1 A 29 29 ASP N N 29 120.231 121.773 -1.542 2
1 357 . 1 1 A 30 30 THR H H 30 7.830 8.448 -0.618 2
1 358 . 1 1 A 30 30 THR HA H 30 3.742 4.616 -0.874 2
1 363 . 1 1 A 30 30 THR C C 30 172.987 173.623 -0.636 2
1 364 . 1 1 A 30 30 THR CA C 30 61.299 60.305 0.994 2
1 365 . 1 1 A 30 30 THR CB C 30 69.294 68.635 0.659 2
1 367 . 1 1 A 30 30 THR N N 30 115.459 120.786 -5.327 2
1 368 . 1 1 A 31 31 SER H H 31 8.561 8.540 0.021 2
1 369 . 1 1 A 31 31 SER HA H 31 3.875 4.579 -0.704 2
1 372 . 1 1 A 31 31 SER CA C 31 63.520 59.301 4.219 2
1 373 . 1 1 A 31 31 SER CB C 31 62.332 64.283 -1.951 2
1 374 . 1 1 A 31 31 SER N N 31 119.763 123.506 -3.743 2
1 375 . 1 1 A 32 32 THR HA H 32 3.961 3.950 0.011 2
1 380 . 1 1 A 32 32 THR C C 32 173.850 176.167 -2.317 2
1 381 . 1 1 A 32 32 THR CA C 32 65.447 66.783 -1.336 2
1 382 . 1 1 A 32 32 THR CB C 32 68.715 68.571 0.144 2
1 384 . 1 1 A 33 33 LEU H H 33 7.209 8.034 -0.825 2
1 385 . 1 1 A 33 33 LEU HA H 33 3.950 3.897 0.053 2
1 395 . 1 1 A 33 33 LEU C C 33 174.505 178.611 -4.106 2
1 396 . 1 1 A 33 33 LEU CA C 33 57.653 58.322 -0.669 2
1 397 . 1 1 A 33 33 LEU CB C 33 42.210 41.448 0.762 2
1 401 . 1 1 A 33 33 LEU N N 33 125.158 121.659 3.499 2
1 402 . 1 1 A 34 34 LYS H H 34 8.671 7.922 0.749 2
1 403 . 1 1 A 34 34 LYS HA H 34 3.552 3.710 -0.158 2
1 412 . 1 1 A 34 34 LYS C C 34 174.794 179.533 -4.739 2
1 413 . 1 1 A 34 34 LYS CA C 34 61.226 59.844 1.382 2
1 414 . 1 1 A 34 34 LYS CB C 34 32.880 32.235 0.645 2
1 418 . 1 1 A 34 34 LYS N N 34 119.112 118.581 0.531 2
1 419 . 1 1 A 35 35 GLU H H 35 7.813 8.093 -0.280 2
1 420 . 1 1 A 35 35 GLU HA H 35 3.863 4.028 -0.165 2
1 425 . 1 1 A 35 35 GLU C C 35 176.222 179.140 -2.918 2
1 426 . 1 1 A 35 35 GLU CA C 35 59.721 59.068 0.653 2
1 427 . 1 1 A 35 35 GLU CB C 35 29.898 29.273 0.625 2
1 429 . 1 1 A 35 35 GLU N N 35 116.554 120.391 -3.837 2
1 430 . 1 1 A 36 36 LEU H H 36 7.153 7.708 -0.556 2
1 431 . 1 1 A 36 36 LEU HA H 36 4.175 3.938 0.237 2
1 441 . 1 1 A 36 36 LEU C C 36 177.281 179.006 -1.725 2
1 442 . 1 1 A 36 36 LEU CA C 36 58.018 57.957 0.061 2
1 443 . 1 1 A 36 36 LEU CB C 36 41.720 41.175 0.545 2
1 447 . 1 1 A 36 36 LEU N N 36 119.071 118.909 0.162 2
1 448 . 1 1 A 37 37 LEU H H 37 8.245 7.869 0.376 2
1 449 . 1 1 A 37 37 LEU HA H 37 3.749 4.004 -0.255 2
1 459 . 1 1 A 37 37 LEU C C 37 177.903 179.455 -1.552 2
1 460 . 1 1 A 37 37 LEU CA C 37 58.278 58.072 0.206 2
1 461 . 1 1 A 37 37 LEU CB C 37 39.600 40.231 -0.631 2
1 465 . 1 1 A 37 37 LEU N N 37 121.326 118.962 2.364 2
1 466 . 1 1 A 38 38 GLU H H 38 8.641 8.334 0.307 2
1 467 . 1 1 A 38 38 GLU HA H 38 4.320 4.215 0.105 2
1 472 . 1 1 A 38 38 GLU C C 38 177.074 179.239 -2.165 2
1 473 . 1 1 A 38 38 GLU CA C 38 59.619 59.465 0.154 2
1 474 . 1 1 A 38 38 GLU CB C 38 29.850 29.169 0.681 2
1 476 . 1 1 A 38 38 GLU N N 38 119.504 118.991 0.513 2
1 477 . 1 1 A 39 39 THR H H 39 7.653 7.667 -0.014 2
1 478 . 1 1 A 39 39 THR HA H 39 4.097 4.064 0.033 2
1 483 . 1 1 A 39 39 THR C C 39 173.229 175.475 -2.246 2
1 484 . 1 1 A 39 39 THR CA C 39 65.080 64.946 0.134 2
1 485 . 1 1 A 39 39 THR CB C 39 69.952 68.361 1.591 2
1 487 . 1 1 A 39 39 THR N N 39 110.838 113.216 -2.377 2
1 488 . 1 1 A 40 40 TYR H H 40 7.478 7.483 -0.005 2
1 489 . 1 1 A 40 40 TYR HA H 40 4.073 4.668 -0.595 2
1 496 . 1 1 A 40 40 TYR C C 40 172.486 175.075 -2.589 2
1 497 . 1 1 A 40 40 TYR CA C 40 61.549 57.407 4.142 2
1 498 . 1 1 A 40 40 TYR CB C 40 37.140 38.354 -1.214 2
1 503 . 1 1 A 40 40 TYR N N 40 118.654 120.394 -1.740 2
1 504 . 1 1 A 41 41 GLN H H 41 7.901 8.079 -0.178 2
1 505 . 1 1 A 41 41 GLN HA H 41 3.963 3.958 0.005 2
1 512 . 1 1 A 41 41 GLN C C 41 171.223 174.194 -2.971 2
1 513 . 1 1 A 41 41 GLN CA C 41 57.158 57.249 -0.091 2
1 514 . 1 1 A 41 41 GLN CB C 41 27.330 26.401 0.929 2
1 516 . 1 1 A 41 41 GLN N N 41 116.315 116.155 0.160 2
1 518 . 1 1 A 42 42 ARG H H 42 8.493 7.858 0.635 2
1 519 . 1 1 A 42 42 ARG HA H 42 5.052 4.968 0.084 2
1 527 . 1 1 A 42 42 ARG CA C 42 54.040 53.912 0.128 2
1 528 . 1 1 A 42 42 ARG CB C 42 30.650 32.072 -1.421 2
1 531 . 1 1 A 42 42 ARG N N 42 115.494 116.036 -0.542 2
1 533 . 1 1 A 43 43 PRO HA H 43 4.390 4.855 -0.465 2
1 540 . 1 1 A 43 43 PRO C C 43 172.836 176.548 -3.712 2
1 541 . 1 1 A 43 43 PRO CA C 43 63.574 62.653 0.921 2
1 542 . 1 1 A 43 43 PRO CB C 43 32.500 33.166 -0.666 2
1 545 . 1 1 A 44 44 PHE H H 44 7.742 8.640 -0.898 2
1 546 . 1 1 A 44 44 PHE HA H 44 5.281 5.321 -0.040 2
1 554 . 1 1 A 44 44 PHE C C 44 170.840 172.279 -1.439 2
1 555 . 1 1 A 44 44 PHE CA C 44 56.174 56.007 0.167 2
1 556 . 1 1 A 44 44 PHE CB C 44 42.280 41.819 0.461 2
1 562 . 1 1 A 44 44 PHE N N 44 115.046 117.864 -2.818 2
1 563 . 1 1 A 45 45 LYS H H 45 8.944 9.199 -0.255 2
1 564 . 1 1 A 45 45 LYS HA H 45 4.641 4.878 -0.237 2
1 573 . 1 1 A 45 45 LYS C C 45 171.934 174.655 -2.721 2
1 574 . 1 1 A 45 45 LYS CA C 45 55.210 55.018 0.192 2
1 575 . 1 1 A 45 45 LYS CB C 45 35.600 34.601 0.999 2
1 579 . 1 1 A 45 45 LYS N N 45 121.090 121.071 0.019 2
1 580 . 1 1 A 46 46 LEU H H 46 8.897 8.935 -0.038 2
1 581 . 1 1 A 46 46 LEU HA H 46 5.332 5.280 0.052 2
1 590 . 1 1 A 46 46 LEU C C 46 172.666 175.090 -2.424 2
1 591 . 1 1 A 46 46 LEU CA C 46 54.510 54.116 0.394 2
1 592 . 1 1 A 46 46 LEU CB C 46 44.620 44.288 0.332 2
1 595 . 1 1 A 46 46 LEU N N 46 128.615 129.077 -0.462 2
1 596 . 1 1 A 47 47 GLU H H 47 9.220 9.180 0.040 2
1 597 . 1 1 A 47 47 GLU HA H 47 4.911 5.082 -0.172 2
1 602 . 1 1 A 47 47 GLU C C 47 172.392 174.773 -2.381 2
1 603 . 1 1 A 47 47 GLU CA C 47 54.980 54.741 0.239 2
1 604 . 1 1 A 47 47 GLU CB C 47 34.490 33.470 1.020 2
1 606 . 1 1 A 47 47 GLU N N 47 125.300 125.784 -0.484 2
1 607 . 1 1 A 48 48 PHE H H 48 9.157 9.177 -0.020 2
1 608 . 1 1 A 48 48 PHE HA H 48 4.302 4.957 -0.655 2
1 616 . 1 1 A 48 48 PHE C C 48 171.971 174.531 -2.560 2
1 617 . 1 1 A 48 48 PHE CA C 48 58.240 57.023 1.217 2
1 618 . 1 1 A 48 48 PHE CB C 48 39.410 40.094 -0.684 2
1 624 . 1 1 A 48 48 PHE N N 48 126.911 125.133 1.778 2
1 625 . 1 1 A 49 49 LYS H H 49 8.256 8.614 -0.358 2
1 626 . 1 1 A 49 49 LYS HA H 49 4.176 4.147 0.029 2
1 635 . 1 1 A 49 49 LYS C C 49 172.030 176.054 -4.024 2
1 636 . 1 1 A 49 49 LYS CA C 49 55.244 57.829 -2.585 2
1 637 . 1 1 A 49 49 LYS CB C 49 32.640 32.748 -0.108 2
1 641 . 1 1 A 49 49 LYS N N 49 127.526 127.138 0.388 2
1 642 . 1 1 A 50 50 ASN H H 50 7.062 6.984 0.078 2
1 643 . 1 1 A 50 50 ASN HA H 50 4.353 4.741 -0.388 2
1 648 . 1 1 A 50 50 ASN C C 50 171.278 172.552 -1.274 2
1 649 . 1 1 A 50 50 ASN CA C 50 53.807 52.257 1.550 2
1 650 . 1 1 A 50 50 ASN CB C 50 40.460 42.007 -1.547 2
1 651 . 1 1 A 50 50 ASN N N 50 115.764 112.584 3.180 2
1 653 . 1 1 A 51 51 THR H H 51 8.217 8.657 -0.440 2
1 654 . 1 1 A 51 51 THR HA H 51 4.685 4.982 -0.297 2
1 659 . 1 1 A 51 51 THR C C 51 171.816 173.474 -1.658 2
1 660 . 1 1 A 51 51 THR CA C 51 61.243 60.646 0.597 2
1 661 . 1 1 A 51 51 THR CB C 51 70.632 71.238 -0.606 2
1 663 . 1 1 A 51 51 THR N N 51 114.341 116.637 -2.296 2
1 664 . 1 1 A 52 52 SER H H 52 8.314 8.819 -0.505 2
1 665 . 1 1 A 52 52 SER HA H 52 4.395 4.509 -0.114 2
1 668 . 1 1 A 52 52 SER CA C 52 58.470 58.540 -0.070 2
1 669 . 1 1 A 52 52 SER CB C 52 64.580 63.790 0.790 2
1 670 . 1 1 A 52 52 SER N N 52 118.503 121.279 -2.776 2
1 671 . 1 1 A 54 54 ASN HA H 54 4.484 4.772 -0.288 2
1 676 . 1 1 A 54 54 ASN C C 54 171.753 174.725 -2.972 2
1 677 . 1 1 A 54 54 ASN CA C 54 53.296 52.969 0.327 2
1 678 . 1 1 A 54 54 ASN CB C 54 38.080 38.637 -0.557 2
1 680 . 1 1 A 55 55 ALA H H 55 7.927 8.099 -0.172 2
1 681 . 1 1 A 55 55 ALA HA H 55 3.759 4.196 -0.437 2
1 685 . 1 1 A 55 55 ALA C C 55 173.386 177.094 -3.708 2
1 686 . 1 1 A 55 55 ALA CA C 55 53.266 53.406 -0.140 2
1 687 . 1 1 A 55 55 ALA CB C 55 18.180 17.867 0.313 2
1 688 . 1 1 A 55 55 ALA N N 55 120.429 120.632 -0.203 2
1 689 . 1 1 A 56 56 LYS H H 56 7.426 7.515 -0.089 2
1 690 . 1 1 A 56 56 LYS HA H 56 3.919 3.827 0.092 2
1 702 . 1 1 A 56 56 LYS C C 56 172.612 175.566 -2.954 2
1 703 . 1 1 A 56 56 LYS CA C 56 57.113 57.761 -0.648 2
1 704 . 1 1 A 56 56 LYS CB C 56 33.566 32.963 0.603 2
1 708 . 1 1 A 56 56 LYS N N 56 116.392 117.527 -1.135 2
1 710 . 1 1 A 57 57 PHE H H 57 7.253 7.559 -0.306 2
1 711 . 1 1 A 57 57 PHE HA H 57 5.062 5.139 -0.077 2
1 719 . 1 1 A 57 57 PHE C C 57 171.527 173.844 -2.317 2
1 720 . 1 1 A 57 57 PHE CA C 57 54.920 56.253 -1.333 2
1 721 . 1 1 A 57 57 PHE CB C 57 41.910 41.632 0.278 2
1 727 . 1 1 A 57 57 PHE N N 57 113.835 116.100 -2.265 2
1 728 . 1 1 A 58 58 TYR H H 58 9.172 9.460 -0.288 2
1 729 . 1 1 A 58 58 TYR HA H 58 4.746 5.116 -0.370 2
1 736 . 1 1 A 58 58 TYR C C 58 171.294 174.940 -3.646 2
1 737 . 1 1 A 58 58 TYR CA C 58 57.770 56.694 1.076 2
1 738 . 1 1 A 58 58 TYR CB C 58 41.784 40.706 1.079 2
1 743 . 1 1 A 58 58 TYR N N 58 121.139 122.745 -1.606 2
1 744 . 1 1 A 59 59 SER H H 59 8.786 8.848 -0.062 2
1 745 . 1 1 A 59 59 SER HA H 59 5.399 4.893 0.506 2
1 748 . 1 1 A 59 59 SER C C 59 170.105 173.574 -3.469 2
1 749 . 1 1 A 59 59 SER CA C 59 57.650 57.999 -0.349 2
1 750 . 1 1 A 59 59 SER CB C 59 65.220 63.740 1.480 2
1 751 . 1 1 A 59 59 SER N N 59 118.511 120.532 -2.021 2
1 752 . 1 1 A 60 60 PHE H H 60 9.389 9.644 -0.255 2
1 753 . 1 1 A 60 60 PHE HA H 60 5.210 5.318 -0.108 2
1 761 . 1 1 A 60 60 PHE C C 60 172.188 174.518 -2.330 2
1 762 . 1 1 A 60 60 PHE CA C 60 56.824 56.480 0.344 2
1 763 . 1 1 A 60 60 PHE CB C 60 43.645 42.253 1.392 2
1 769 . 1 1 A 60 60 PHE N N 60 121.864 126.315 -4.451 2
1 770 . 1 1 A 61 61 ASN H H 61 9.448 9.371 0.077 2
1 771 . 1 1 A 61 61 ASN HA H 61 5.564 5.655 -0.091 2
1 776 . 1 1 A 61 61 ASN C C 61 171.756 173.904 -2.148 2
1 777 . 1 1 A 61 61 ASN CA C 61 53.012 52.200 0.812 2
1 778 . 1 1 A 61 61 ASN CB C 61 42.580 42.080 0.500 2
1 779 . 1 1 A 61 61 ASN N N 61 121.107 119.426 1.681 2
1 781 . 1 1 A 62 62 VAL H H 62 9.361 9.250 0.111 2
1 782 . 1 1 A 62 62 VAL HA H 62 5.159 5.226 -0.067 2
1 790 . 1 1 A 62 62 VAL C C 62 171.964 175.001 -3.037 2
1 791 . 1 1 A 62 62 VAL CA C 62 60.991 61.299 -0.308 2
1 792 . 1 1 A 62 62 VAL CB C 62 35.350 33.933 1.417 2
1 795 . 1 1 A 62 62 VAL N N 62 126.781 126.338 0.443 2
1 796 . 1 1 A 63 63 SER H H 63 8.750 9.097 -0.347 2
1 797 . 1 1 A 63 63 SER HA H 63 5.955 5.736 0.219 2
1 800 . 1 1 A 63 63 SER C C 63 171.905 173.578 -1.673 2
1 801 . 1 1 A 63 63 SER CA C 63 56.587 57.521 -0.934 2
1 802 . 1 1 A 63 63 SER CB C 63 65.231 64.540 0.691 2
1 803 . 1 1 A 63 63 SER N N 63 120.886 124.422 -3.536 2
1 804 . 1 1 A 64 64 MET H H 64 8.918 8.975 -0.057 2
1 805 . 1 1 A 64 64 MET HA H 64 4.622 5.345 -0.723 2
1 813 . 1 1 A 64 64 MET C C 64 170.352 175.145 -4.793 2
1 814 . 1 1 A 64 64 MET CA C 64 55.950 53.755 2.196 2
1 815 . 1 1 A 64 64 MET CB C 64 38.000 36.010 1.990 2
1 818 . 1 1 A 64 64 MET N N 64 123.839 122.731 1.108 2
1 819 . 1 1 A 65 65 GLU H H 65 9.213 8.516 0.697 2
1 820 . 1 1 A 65 65 GLU HA H 65 4.740 4.878 -0.138 2
1 825 . 1 1 A 65 65 GLU C C 65 172.659 176.490 -3.831 2
1 826 . 1 1 A 65 65 GLU CA C 65 57.547 56.829 0.718 2
1 827 . 1 1 A 65 65 GLU CB C 65 31.100 30.253 0.847 2
1 829 . 1 1 A 65 65 GLU N N 65 125.938 120.242 5.696 2
1 830 . 1 1 A 66 66 VAL H H 66 9.031 8.941 0.090 2
1 831 . 1 1 A 66 66 VAL HA H 66 4.632 4.748 -0.116 2
1 839 . 1 1 A 66 66 VAL C C 66 174.252 176.059 -1.807 2
1 840 . 1 1 A 66 66 VAL CA C 66 59.454 60.469 -1.015 2
1 841 . 1 1 A 66 66 VAL CB C 66 35.450 34.388 1.062 2
1 844 . 1 1 A 66 66 VAL N N 66 117.398 119.922 -2.524 2
1 845 . 1 1 A 67 67 SER H H 67 9.309 9.043 0.266 2
1 846 . 1 1 A 67 67 SER HA H 67 4.185 4.531 -0.346 2
1 849 . 1 1 A 67 67 SER C C 67 170.646 174.520 -3.874 2
1 850 . 1 1 A 67 67 SER CA C 67 61.719 60.128 1.591 2
1 851 . 1 1 A 67 67 SER CB C 67 64.540 64.092 0.448 2
1 852 . 1 1 A 67 67 SER N N 67 116.754 118.845 -2.091 2
1 853 . 1 1 A 68 68 ASN H H 68 7.279 7.696 -0.417 2
1 854 . 1 1 A 68 68 ASN HA H 68 3.345 4.522 -1.177 2
1 859 . 1 1 A 68 68 ASN C C 68 170.781 175.128 -4.347 2
1 860 . 1 1 A 68 68 ASN CA C 68 51.758 51.884 -0.126 2
1 861 . 1 1 A 68 68 ASN CB C 68 38.809 39.607 -0.798 2
1 862 . 1 1 A 68 68 ASN N N 68 110.062 114.673 -4.611 2
1 864 . 1 1 A 69 69 GLU H H 69 8.126 8.351 -0.225 2
1 865 . 1 1 A 69 69 GLU HA H 69 3.337 3.681 -0.344 2
1 870 . 1 1 A 69 69 GLU C C 69 174.537 177.809 -3.272 2
1 871 . 1 1 A 69 69 GLU CA C 69 59.749 58.992 0.757 2
1 872 . 1 1 A 69 69 GLU CB C 69 30.250 29.001 1.249 2
1 874 . 1 1 A 69 69 GLU N N 69 120.604 119.653 0.951 2
1 875 . 1 1 A 70 70 SER H H 70 7.981 7.785 0.196 2
1 876 . 1 1 A 70 70 SER HA H 70 4.030 4.066 -0.035 2
1 879 . 1 1 A 70 70 SER C C 70 174.715 176.974 -2.259 2
1 880 . 1 1 A 70 70 SER CA C 70 62.097 61.578 0.519 2
1 881 . 1 1 A 70 70 SER CB C 70 62.350 62.834 -0.484 2
1 882 . 1 1 A 70 70 SER N N 70 114.770 115.893 -1.123 2
1 883 . 1 1 A 71 71 GLU H H 71 8.572 7.664 0.908 2
1 884 . 1 1 A 71 71 GLU HA H 71 3.927 4.087 -0.160 2
1 889 . 1 1 A 71 71 GLU C C 71 174.769 179.148 -4.379 2
1 890 . 1 1 A 71 71 GLU CA C 71 59.849 59.320 0.529 2
1 891 . 1 1 A 71 71 GLU CB C 71 30.950 29.376 1.574 2
1 893 . 1 1 A 71 71 GLU N N 71 124.163 121.901 2.262 2
1 894 . 1 1 A 72 72 ARG H H 72 7.797 7.771 0.026 2
1 895 . 1 1 A 72 72 ARG HA H 72 3.776 4.444 -0.668 2
1 900 . 1 1 A 72 72 ARG C C 72 177.552 178.523 -0.971 2
1 901 . 1 1 A 72 72 ARG CA C 72 58.680 58.776 -0.096 2
1 902 . 1 1 A 72 72 ARG CB C 72 30.110 29.489 0.621 2
1 905 . 1 1 A 72 72 ARG N N 72 118.396 119.829 -1.433 2
1 906 . 1 1 A 73 73 ASN H H 73 8.175 7.882 0.293 2
1 907 . 1 1 A 73 73 ASN HA H 73 4.461 4.596 -0.135 2
1 912 . 1 1 A 73 73 ASN C C 73 174.089 177.837 -3.748 2
1 913 . 1 1 A 73 73 ASN CA C 73 55.500 55.569 -0.070 2
1 914 . 1 1 A 73 73 ASN CB C 73 37.844 38.519 -0.675 2
1 915 . 1 1 A 73 73 ASN N N 73 118.156 117.433 0.723 2
1 917 . 1 1 A 74 74 GLU H H 74 8.473 8.221 0.252 2
1 918 . 1 1 A 74 74 GLU HA H 74 3.954 4.143 -0.189 2
1 923 . 1 1 A 74 74 GLU C C 74 175.719 179.213 -3.494 2
1 924 . 1 1 A 74 74 GLU CA C 74 60.093 59.199 0.894 2
1 925 . 1 1 A 74 74 GLU CB C 74 30.460 29.517 0.944 2
1 927 . 1 1 A 74 74 GLU N N 74 124.825 119.263 5.562 2
1 928 . 1 1 A 75 75 ILE H H 75 8.273 8.292 -0.019 2
1 929 . 1 1 A 75 75 ILE HA H 75 3.229 3.673 -0.444 2
1 939 . 1 1 A 75 75 ILE C C 75 174.591 178.021 -3.430 2
1 940 . 1 1 A 75 75 ILE CA C 75 66.460 65.275 1.185 2
1 941 . 1 1 A 75 75 ILE CB C 75 38.262 37.497 0.765 2
1 945 . 1 1 A 75 75 ILE N N 75 120.282 120.645 -0.363 2
1 946 . 1 1 A 76 76 PHE H H 76 7.233 8.310 -1.077 2
1 947 . 1 1 A 76 76 PHE HA H 76 3.600 4.029 -0.429 2
1 955 . 1 1 A 76 76 PHE C C 76 175.036 177.829 -2.793 2
1 956 . 1 1 A 76 76 PHE CA C 76 62.227 61.503 0.724 2
1 957 . 1 1 A 76 76 PHE CB C 76 40.170 39.513 0.657 2
1 963 . 1 1 A 76 76 PHE N N 76 117.265 120.557 -3.292 2
1 964 . 1 1 A 77 77 GLN H H 77 8.262 8.100 0.162 2
1 965 . 1 1 A 77 77 GLN HA H 77 3.753 3.810 -0.057 2
1 972 . 1 1 A 77 77 GLN C C 77 176.132 178.812 -2.680 2
1 973 . 1 1 A 77 77 GLN CA C 77 59.113 59.391 -0.278 2
1 974 . 1 1 A 77 77 GLN CB C 77 28.487 28.585 -0.098 2
1 976 . 1 1 A 77 77 GLN N N 77 118.919 118.409 0.509 2
1 978 . 1 1 A 78 78 LYS H H 78 8.508 7.845 0.663 2
1 979 . 1 1 A 78 78 LYS HA H 78 3.804 4.059 -0.255 2
1 988 . 1 1 A 78 78 LYS C C 78 177.438 179.354 -1.916 2
1 989 . 1 1 A 78 78 LYS CA C 78 60.107 59.244 0.863 2
1 990 . 1 1 A 78 78 LYS CB C 78 33.160 32.549 0.611 2
1 994 . 1 1 A 78 78 LYS N N 78 119.345 119.404 -0.059 2
1 995 . 1 1 A 79 79 ILE H H 79 8.395 8.015 0.380 2
1 996 . 1 1 A 79 79 ILE HA H 79 3.182 3.712 -0.530 2
1 1006 . 1 1 A 79 79 ILE C C 79 174.721 177.016 -2.295 2
1 1007 . 1 1 A 79 79 ILE CA C 79 66.280 64.921 1.359 2
1 1008 . 1 1 A 79 79 ILE CB C 79 38.360 37.392 0.968 2
1 1012 . 1 1 A 79 79 ILE N N 79 120.117 120.677 -0.560 2
1 1013 . 1 1 A 80 80 SER H H 80 7.459 7.682 -0.223 2
1 1014 . 1 1 A 80 80 SER HA H 80 3.868 4.206 -0.338 2
1 1017 . 1 1 A 80 80 SER C C 80 171.998 175.416 -3.418 2
1 1018 . 1 1 A 80 80 SER CA C 80 61.444 60.070 1.374 2
1 1019 . 1 1 A 80 80 SER CB C 80 63.500 62.981 0.519 2
1 1020 . 1 1 A 80 80 SER N N 80 110.857 116.109 -5.252 2
1 1021 . 1 1 A 81 81 GLN H H 81 7.095 7.712 -0.616 2
1 1022 . 1 1 A 81 81 GLN HA H 81 4.143 4.282 -0.139 2
1 1029 . 1 1 A 81 81 GLN C C 81 173.743 176.950 -3.207 2
1 1030 . 1 1 A 81 81 GLN CA C 81 55.894 56.623 -0.729 2
1 1031 . 1 1 A 81 81 GLN CB C 81 29.390 28.664 0.726 2
1 1033 . 1 1 A 81 81 GLN N N 81 117.056 119.611 -2.555 2
1 1035 . 1 1 A 82 82 LEU H H 82 7.495 7.611 -0.116 2
1 1036 . 1 1 A 82 82 LEU HA H 82 4.064 4.149 -0.085 2
1 1046 . 1 1 A 82 82 LEU C C 82 175.685 176.552 -0.867 2
1 1047 . 1 1 A 82 82 LEU CA C 82 55.730 55.626 0.104 2
1 1048 . 1 1 A 82 82 LEU CB C 82 41.740 42.440 -0.700 2
1 1052 . 1 1 A 82 82 LEU N N 82 123.191 119.223 3.968 2
1 1053 . 1 1 A 83 83 ASP H H 83 8.330 8.072 0.258 2
1 1054 . 1 1 A 83 83 ASP HA H 83 4.260 4.536 -0.276 2
1 1057 . 1 1 A 83 83 ASP C C 83 174.543 177.082 -2.539 2
1 1058 . 1 1 A 83 83 ASP CA C 83 57.056 55.818 1.238 2
1 1059 . 1 1 A 83 83 ASP CB C 83 41.590 40.618 0.972 2
1 1060 . 1 1 A 83 83 ASP N N 83 122.600 118.911 3.689 2
1 1061 . 1 1 A 84 84 LYS H H 84 8.152 8.277 -0.125 2
1 1062 . 1 1 A 84 84 LYS HA H 84 4.060 4.314 -0.254 2
1 1071 . 1 1 A 84 84 LYS C C 84 172.461 176.491 -4.030 2
1 1072 . 1 1 A 84 84 LYS CA C 84 57.301 57.656 -0.355 2
1 1073 . 1 1 A 84 84 LYS CB C 84 31.140 32.509 -1.369 2
1 1077 . 1 1 A 84 84 LYS N N 84 113.797 116.742 -2.945 2
1 1078 . 1 1 A 85 85 VAL H H 85 7.290 7.532 -0.242 2
1 1079 . 1 1 A 85 85 VAL HA H 85 4.230 4.383 -0.153 2
1 1087 . 1 1 A 85 85 VAL C C 85 173.934 175.942 -2.008 2
1 1088 . 1 1 A 85 85 VAL CA C 85 63.300 61.825 1.475 2
1 1089 . 1 1 A 85 85 VAL CB C 85 32.320 32.992 -0.672 2
1 1092 . 1 1 A 85 85 VAL N N 85 118.733 119.831 -1.098 2
1 1093 . 1 1 A 86 86 VAL H H 86 9.093 9.113 -0.020 2
1 1094 . 1 1 A 86 86 VAL HA H 86 4.165 4.453 -0.288 2
1 1102 . 1 1 A 86 86 VAL C C 86 173.235 175.687 -2.452 2
1 1103 . 1 1 A 86 86 VAL CA C 86 62.144 62.183 -0.039 2
1 1104 . 1 1 A 86 86 VAL CB C 86 33.397 33.361 0.036 2
1 1107 . 1 1 A 86 86 VAL N N 86 125.341 123.983 1.358 2
1 1108 . 1 1 A 87 87 GLN H H 87 7.727 7.409 0.318 2
1 1109 . 1 1 A 87 87 GLN HA H 87 4.437 4.874 -0.437 2
1 1114 . 1 1 A 87 87 GLN C C 87 170.954 174.024 -3.070 2
1 1115 . 1 1 A 87 87 GLN CA C 87 56.370 55.368 1.002 2
1 1116 . 1 1 A 87 87 GLN CB C 87 32.420 32.116 0.304 2
1 1118 . 1 1 A 87 87 GLN N N 87 119.469 120.625 -1.156 2
1 1119 . 1 1 A 88 88 THR H H 88 8.087 8.850 -0.763 2
1 1120 . 1 1 A 88 88 THR HA H 88 4.857 5.421 -0.564 2
1 1125 . 1 1 A 88 88 THR CA C 88 61.850 60.580 1.270 2
1 1126 . 1 1 A 88 88 THR CB C 88 69.900 70.780 -0.880 2
1 1128 . 1 1 A 88 88 THR N N 88 119.679 116.755 2.924 2
1 1129 . 1 1 A 89 89 LEU HA H 89 4.851 5.177 -0.326 2
1 1139 . 1 1 A 89 89 LEU C C 89 174.211 176.980 -2.769 2
1 1140 . 1 1 A 89 89 LEU CA C 89 54.590 53.400 1.190 2
1 1141 . 1 1 A 89 89 LEU CB C 89 44.176 43.579 0.597 2
1 1145 . 1 1 A 90 90 GLY H H 90 8.697 8.909 -0.212 2
1 1146 . 1 1 A 90 90 GLY HA2 H 90 4.181 4.143 0.038 2
1 1147 . 1 1 A 90 90 GLY HA3 H 90 4.267 4.354 -0.087 2
1 1148 . 1 1 A 90 90 GLY C C 90 170.516 173.947 -3.431 2
1 1149 . 1 1 A 90 90 GLY CA C 90 45.810 45.884 -0.074 2
1 1150 . 1 1 A 90 90 GLY N N 90 109.859 113.670 -3.811 2
stop_
save_