data_16594_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16594
_Entry.PDB_ID 2KQ9
_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 19 . 1 1 1 A 2 2 ALA H H 2 8.460 8.629 -0.169 1
1 20 . 1 1 1 A 2 2 ALA HA H 2 4.304 4.551 -0.247 1
1 24 . 1 1 1 A 2 2 ALA C C 2 178.183 177.052 1.131 1
1 25 . 1 1 1 A 2 2 ALA CA C 2 52.760 51.652 1.108 1
1 26 . 1 1 1 A 2 2 ALA CB C 2 19.150 18.883 0.267 1
1 27 . 1 1 1 A 2 2 ALA N N 2 125.375 130.231 -4.856 1
1 28 . 1 1 1 A 3 3 GLY H H 3 8.343 8.317 0.026 1
1 29 . 1 1 1 A 3 3 GLY N N 3 108.577 111.659 -3.082 1
1 30 . 1 1 1 A 5 5 LYS HA H 5 4.355 4.420 -0.065 1
1 39 . 1 1 1 A 5 5 LYS CA C 5 56.170 55.701 0.469 1
1 40 . 1 1 1 A 5 5 LYS CB C 5 33.170 33.368 -0.198 1
1 44 . 1 1 1 A 6 6 SER HA H 6 4.429 4.521 -0.092 1
1 47 . 1 1 1 A 6 6 SER CA C 6 58.390 59.779 -1.389 1
1 48 . 1 1 1 A 6 6 SER CB C 6 64.040 62.020 2.020 1
1 49 . 1 1 1 A 7 7 MET HA H 7 4.435 4.466 -0.031 1
1 57 . 1 1 1 A 7 7 MET CA C 7 55.610 56.296 -0.686 1
1 58 . 1 1 1 A 7 7 MET CB C 7 33.550 31.219 2.331 1
1 61 . 1 1 1 A 8 8 ASN HA H 8 4.837 4.932 -0.095 1
1 66 . 1 1 1 A 8 8 ASN C C 8 175.910 175.899 0.011 1
1 67 . 1 1 1 A 8 8 ASN CA C 8 52.310 52.683 -0.373 1
1 68 . 1 1 1 A 8 8 ASN CB C 8 38.190 38.128 0.062 1
1 70 . 1 1 1 A 9 9 VAL H H 9 8.400 8.537 -0.137 1
1 71 . 1 1 1 A 9 9 VAL HA H 9 3.908 3.980 -0.072 1
1 79 . 1 1 1 A 9 9 VAL C C 9 176.738 177.530 -0.792 1
1 80 . 1 1 1 A 9 9 VAL CA C 9 65.550 66.626 -1.076 1
1 81 . 1 1 1 A 9 9 VAL CB C 9 31.970 31.820 0.150 1
1 84 . 1 1 1 A 9 9 VAL N N 9 121.216 124.710 -3.494 1
1 85 . 1 1 1 A 10 10 GLU H H 10 8.596 8.545 0.051 1
1 86 . 1 1 1 A 10 10 GLU HA H 10 4.077 3.892 0.185 1
1 91 . 1 1 1 A 10 10 GLU C C 10 178.985 178.886 0.099 1
1 92 . 1 1 1 A 10 10 GLU CA C 10 59.390 59.922 -0.532 1
1 93 . 1 1 1 A 10 10 GLU CB C 10 29.000 29.572 -0.572 1
1 95 . 1 1 1 A 10 10 GLU N N 10 121.274 120.654 0.620 1
1 96 . 1 1 1 A 11 11 SER H H 11 7.841 7.928 -0.087 1
1 97 . 1 1 1 A 11 11 SER HA H 11 4.138 4.040 0.098 1
1 100 . 1 1 1 A 11 11 SER C C 11 176.817 176.144 0.673 1
1 101 . 1 1 1 A 11 11 SER CA C 11 60.790 62.261 -1.471 1
1 102 . 1 1 1 A 11 11 SER CB C 11 62.470 62.960 -0.490 1
1 103 . 1 1 1 A 11 11 SER N N 11 115.238 116.829 -1.591 1
1 104 . 1 1 1 A 12 12 TYR H H 12 7.284 7.647 -0.363 1
1 105 . 1 1 1 A 12 12 TYR HA H 12 4.104 4.338 -0.234 1
1 112 . 1 1 1 A 12 12 TYR C C 12 177.132 178.012 -0.880 1
1 113 . 1 1 1 A 12 12 TYR CA C 12 62.060 61.175 0.885 1
1 114 . 1 1 1 A 12 12 TYR CB C 12 38.710 38.127 0.583 1
1 117 . 1 1 1 A 12 12 TYR N N 12 120.370 119.684 0.686 1
1 118 . 1 1 1 A 13 13 GLU H H 13 8.490 8.495 -0.005 1
1 119 . 1 1 1 A 13 13 GLU HA H 13 3.432 3.847 -0.415 1
1 124 . 1 1 1 A 13 13 GLU C C 13 177.303 178.552 -1.249 1
1 125 . 1 1 1 A 13 13 GLU CA C 13 60.660 59.930 0.730 1
1 126 . 1 1 1 A 13 13 GLU CB C 13 29.200 29.057 0.143 1
1 128 . 1 1 1 A 13 13 GLU N N 13 120.162 120.565 -0.403 1
1 129 . 1 1 1 A 14 14 LYS H H 14 7.454 7.748 -0.294 1
1 130 . 1 1 1 A 14 14 LYS HA H 14 3.900 4.062 -0.162 1
1 139 . 1 1 1 A 14 14 LYS C C 14 178.249 178.750 -0.501 1
1 140 . 1 1 1 A 14 14 LYS CA C 14 59.620 59.080 0.540 1
1 141 . 1 1 1 A 14 14 LYS CB C 14 32.420 32.126 0.294 1
1 145 . 1 1 1 A 14 14 LYS N N 14 117.838 118.290 -0.452 1
1 146 . 1 1 1 A 15 15 ILE H H 15 7.409 7.699 -0.290 1
1 147 . 1 1 1 A 15 15 ILE HA H 15 3.822 4.106 -0.284 1
1 157 . 1 1 1 A 15 15 ILE C C 15 179.668 177.821 1.847 1
1 158 . 1 1 1 A 15 15 ILE CA C 15 65.030 62.970 2.060 1
1 159 . 1 1 1 A 15 15 ILE CB C 15 38.950 37.628 1.322 1
1 163 . 1 1 1 A 15 15 ILE N N 15 118.597 120.560 -1.963 1
1 164 . 1 1 1 A 16 16 LEU H H 16 8.407 8.221 0.186 1
1 165 . 1 1 1 A 16 16 LEU HA H 16 3.992 3.958 0.034 1
1 175 . 1 1 1 A 16 16 LEU C C 16 178.512 179.158 -0.646 1
1 176 . 1 1 1 A 16 16 LEU CA C 16 58.230 58.351 -0.121 1
1 177 . 1 1 1 A 16 16 LEU CB C 16 42.130 41.437 0.693 1
1 181 . 1 1 1 A 16 16 LEU N N 16 120.642 120.933 -0.291 1
1 182 . 1 1 1 A 17 17 ARG H H 17 8.789 7.959 0.830 1
1 183 . 1 1 1 A 17 17 ARG HA H 17 3.917 4.085 -0.168 1
1 190 . 1 1 1 A 17 17 ARG C C 17 179.602 179.246 0.356 1
1 191 . 1 1 1 A 17 17 ARG CA C 17 60.080 59.200 0.880 1
1 192 . 1 1 1 A 17 17 ARG CB C 17 29.620 29.794 -0.174 1
1 195 . 1 1 1 A 17 17 ARG N N 17 119.196 118.805 0.391 1
1 196 . 1 1 1 A 18 18 ASP H H 18 8.638 8.339 0.299 1
1 197 . 1 1 1 A 18 18 ASP HA H 18 4.418 4.381 0.037 1
1 200 . 1 1 1 A 18 18 ASP C C 18 179.116 179.160 -0.044 1
1 201 . 1 1 1 A 18 18 ASP CA C 18 57.330 57.270 0.060 1
1 202 . 1 1 1 A 18 18 ASP CB C 18 39.700 39.986 -0.286 1
1 203 . 1 1 1 A 18 18 ASP N N 18 121.383 119.804 1.579 1
1 204 . 1 1 1 A 19 19 ARG H H 19 7.947 8.089 -0.142 1
1 205 . 1 1 1 A 19 19 ARG HA H 19 4.180 4.061 0.119 1
1 212 . 1 1 1 A 19 19 ARG C C 19 177.855 178.861 -1.006 1
1 213 . 1 1 1 A 19 19 ARG CA C 19 57.680 59.479 -1.799 1
1 214 . 1 1 1 A 19 19 ARG CB C 19 29.540 29.766 -0.226 1
1 217 . 1 1 1 A 19 19 ARG N N 19 121.506 119.526 1.980 1
1 218 . 1 1 1 A 20 20 GLN H H 20 8.691 8.155 0.536 1
1 219 . 1 1 1 A 20 20 GLN HA H 20 3.589 3.924 -0.335 1
1 226 . 1 1 1 A 20 20 GLN C C 20 176.896 178.171 -1.275 1
1 227 . 1 1 1 A 20 20 GLN CA C 20 59.620 58.736 0.884 1
1 228 . 1 1 1 A 20 20 GLN CB C 20 30.020 27.909 2.111 1
1 230 . 1 1 1 A 20 20 GLN N N 20 120.162 118.329 1.833 1
1 232 . 1 1 1 A 21 21 ARG H H 21 7.959 7.636 0.323 1
1 233 . 1 1 1 A 21 21 ARG HA H 21 3.973 4.332 -0.359 1
1 240 . 1 1 1 A 21 21 ARG C C 21 178.985 179.148 -0.163 1
1 241 . 1 1 1 A 21 21 ARG CA C 21 59.800 59.173 0.627 1
1 242 . 1 1 1 A 21 21 ARG CB C 21 29.980 30.215 -0.235 1
1 245 . 1 1 1 A 21 21 ARG N N 21 117.219 119.305 -2.086 1
1 246 . 1 1 1 A 22 22 GLU H H 22 7.700 7.877 -0.177 1
1 247 . 1 1 1 A 22 22 GLU HA H 22 4.076 4.101 -0.025 1
1 252 . 1 1 1 A 22 22 GLU C C 22 179.090 178.659 0.431 1
1 253 . 1 1 1 A 22 22 GLU CA C 22 58.950 59.155 -0.205 1
1 254 . 1 1 1 A 22 22 GLU CB C 22 29.580 29.233 0.347 1
1 256 . 1 1 1 A 22 22 GLU N N 22 119.703 118.385 1.318 1
1 257 . 1 1 1 A 23 23 LEU H H 23 8.264 7.597 0.667 1
1 258 . 1 1 1 A 23 23 LEU HA H 23 3.979 4.062 -0.083 1
1 268 . 1 1 1 A 23 23 LEU C C 23 179.234 178.685 0.549 1
1 269 . 1 1 1 A 23 23 LEU CA C 23 57.990 57.255 0.735 1
1 270 . 1 1 1 A 23 23 LEU CB C 23 42.370 41.468 0.902 1
1 274 . 1 1 1 A 23 23 LEU N N 23 119.988 121.379 -1.391 1
1 275 . 1 1 1 A 24 24 TYR H H 24 8.688 8.017 0.671 1
1 276 . 1 1 1 A 24 24 TYR HA H 24 4.084 4.016 0.068 1
1 283 . 1 1 1 A 24 24 TYR C C 24 178.630 178.893 -0.263 1
1 284 . 1 1 1 A 24 24 TYR CA C 24 61.670 60.865 0.805 1
1 285 . 1 1 1 A 24 24 TYR CB C 24 37.780 37.622 0.158 1
1 288 . 1 1 1 A 24 24 TYR N N 24 119.101 119.076 0.025 1
1 289 . 1 1 1 A 25 25 ARG H H 25 7.945 8.366 -0.421 1
1 290 . 1 1 1 A 25 25 ARG HA H 25 4.043 4.139 -0.096 1
1 297 . 1 1 1 A 25 25 ARG C C 25 178.683 178.590 0.093 1
1 298 . 1 1 1 A 25 25 ARG CA C 25 59.460 58.892 0.568 1
1 299 . 1 1 1 A 25 25 ARG CB C 25 30.160 29.950 0.210 1
1 302 . 1 1 1 A 25 25 ARG N N 25 118.297 118.114 0.183 1
1 303 . 1 1 1 A 26 26 ARG H H 26 7.726 7.692 0.034 1
1 304 . 1 1 1 A 26 26 ARG HA H 26 4.067 4.074 -0.007 1
1 311 . 1 1 1 A 26 26 ARG C C 26 177.986 178.654 -0.668 1
1 312 . 1 1 1 A 26 26 ARG CA C 26 58.300 58.973 -0.673 1
1 313 . 1 1 1 A 26 26 ARG CB C 26 30.670 29.885 0.785 1
1 316 . 1 1 1 A 26 26 ARG N N 26 118.100 119.830 -1.730 1
1 317 . 1 1 1 A 27 27 LEU H H 27 7.971 7.664 0.307 1
1 318 . 1 1 1 A 27 27 LEU HA H 27 4.095 4.169 -0.074 1
1 328 . 1 1 1 A 27 27 LEU C C 27 177.461 177.783 -0.322 1
1 329 . 1 1 1 A 27 27 LEU CA C 27 56.260 56.367 -0.107 1
1 330 . 1 1 1 A 27 27 LEU CB C 27 42.260 41.831 0.429 1
1 334 . 1 1 1 A 27 27 LEU N N 27 118.633 117.009 1.624 1
1 335 . 1 1 1 A 28 28 HIS H H 28 7.863 7.885 -0.022 1
1 336 . 1 1 1 A 28 28 HIS HA H 28 4.482 4.765 -0.283 1
1 341 . 1 1 1 A 28 28 HIS C C 28 174.741 176.192 -1.451 1
1 342 . 1 1 1 A 28 28 HIS CA C 28 56.310 56.091 0.219 1
1 343 . 1 1 1 A 28 28 HIS CB C 28 29.300 29.501 -0.201 1
1 346 . 1 1 1 A 28 28 HIS N N 28 116.767 117.194 -0.427 1
1 347 . 1 1 1 A 29 29 LYS H H 29 7.893 8.446 -0.553 1
1 348 . 1 1 1 A 29 29 LYS HA H 29 4.172 4.016 0.156 1
1 357 . 1 1 1 A 29 29 LYS C C 29 176.357 178.078 -1.721 1
1 358 . 1 1 1 A 29 29 LYS CA C 29 56.830 58.927 -2.097 1
1 359 . 1 1 1 A 29 29 LYS CB C 29 32.000 31.618 0.382 1
1 363 . 1 1 1 A 29 29 LYS N N 29 120.331 118.930 1.401 1
1 364 . 1 1 1 A 30 30 ILE H H 30 7.995 7.573 0.422 1
1 365 . 1 1 1 A 30 30 ILE HA H 30 4.085 3.806 0.279 1
1 375 . 1 1 1 A 30 30 ILE C C 30 176.344 177.355 -1.011 1
1 376 . 1 1 1 A 30 30 ILE CA C 30 61.440 64.220 -2.780 1
1 377 . 1 1 1 A 30 30 ILE CB C 30 39.020 37.552 1.468 1
1 381 . 1 1 1 A 30 30 ILE N N 30 120.440 117.106 3.334 1
1 382 . 1 1 1 A 31 31 GLU H H 31 8.367 7.989 0.378 1
1 383 . 1 1 1 A 31 31 GLU HA H 31 4.159 4.376 -0.217 1
1 388 . 1 1 1 A 31 31 GLU C C 31 176.265 175.790 0.475 1
1 389 . 1 1 1 A 31 31 GLU CA C 31 56.890 56.401 0.489 1
1 390 . 1 1 1 A 31 31 GLU CB C 31 30.050 29.739 0.311 1
1 392 . 1 1 1 A 31 31 GLU N N 31 124.043 119.317 4.726 1
1 393 . 1 1 1 A 32 32 ALA H H 32 8.138 7.542 0.596 1
1 394 . 1 1 1 A 32 32 ALA HA H 32 4.175 4.652 -0.477 1
1 398 . 1 1 1 A 32 32 ALA C C 32 177.198 177.072 0.126 1
1 399 . 1 1 1 A 32 32 ALA CA C 32 52.620 50.478 2.142 1
1 400 . 1 1 1 A 32 32 ALA CB C 32 19.490 19.878 -0.388 1
1 401 . 1 1 1 A 32 32 ALA N N 32 124.170 123.376 0.794 1
1 402 . 1 1 1 A 33 33 ASP H H 33 8.157 8.589 -0.432 1
1 403 . 1 1 1 A 33 33 ASP HA H 33 4.467 4.458 0.009 1
1 406 . 1 1 1 A 33 33 ASP C C 33 175.910 176.916 -1.006 1
1 407 . 1 1 1 A 33 33 ASP CA C 33 54.500 56.972 -2.472 1
1 408 . 1 1 1 A 33 33 ASP CB C 33 40.750 41.261 -0.511 1
1 409 . 1 1 1 A 33 33 ASP N N 33 118.904 124.606 -5.702 1
1 410 . 1 1 1 A 34 34 PHE H H 34 7.884 7.628 0.256 1
1 411 . 1 1 1 A 34 34 PHE HA H 34 4.514 4.585 -0.071 1
1 418 . 1 1 1 A 34 34 PHE C C 34 175.319 175.612 -0.293 1
1 419 . 1 1 1 A 34 34 PHE CA C 34 57.610 58.705 -1.095 1
1 420 . 1 1 1 A 34 34 PHE CB C 34 39.840 39.193 0.647 1
1 423 . 1 1 1 A 34 34 PHE N N 34 119.439 118.102 1.337 1
1 424 . 1 1 1 A 35 35 GLU H H 35 8.084 8.980 -0.896 1
1 425 . 1 1 1 A 35 35 GLU HA H 35 4.190 4.623 -0.433 1
1 430 . 1 1 1 A 35 35 GLU C C 35 175.634 176.187 -0.553 1
1 431 . 1 1 1 A 35 35 GLU CA C 35 56.140 56.468 -0.328 1
1 432 . 1 1 1 A 35 35 GLU CB C 35 30.810 32.016 -1.206 1
1 434 . 1 1 1 A 35 35 GLU N N 35 122.340 126.436 -4.096 1
1 435 . 1 1 1 A 36 36 GLU H H 36 8.172 8.108 0.064 1
1 436 . 1 1 1 A 36 36 GLU HA H 36 4.442 4.533 -0.091 1
1 441 . 1 1 1 A 36 36 GLU CA C 36 54.300 57.984 -3.684 1
1 442 . 1 1 1 A 36 36 GLU CB C 36 29.490 28.664 0.826 1
1 444 . 1 1 1 A 36 36 GLU N N 36 123.278 118.324 4.954 1
1 445 . 1 1 1 A 37 37 PRO HA H 37 4.339 4.349 -0.010 1
1 452 . 1 1 1 A 37 37 PRO C C 37 175.818 177.907 -2.089 1
1 453 . 1 1 1 A 37 37 PRO CA C 37 62.800 65.885 -3.085 1
1 454 . 1 1 1 A 37 37 PRO CB C 37 31.900 31.826 0.074 1
1 457 . 1 1 1 A 38 38 ARG H H 38 8.412 8.271 0.141 1
1 458 . 1 1 1 A 38 38 ARG HA H 38 4.255 4.487 -0.232 1
1 465 . 1 1 1 A 38 38 ARG C C 38 175.818 175.856 -0.038 1
1 466 . 1 1 1 A 38 38 ARG CA C 38 55.350 56.837 -1.487 1
1 467 . 1 1 1 A 38 38 ARG CB C 38 31.010 32.283 -1.273 1
1 470 . 1 1 1 A 38 38 ARG N N 38 121.791 116.256 5.535 1
1 471 . 1 1 1 A 39 39 ASN H H 39 8.624 7.783 0.841 1
1 472 . 1 1 1 A 39 39 ASN HA H 39 4.906 4.958 -0.052 1
1 477 . 1 1 1 A 39 39 ASN CA C 39 51.100 51.712 -0.612 1
1 478 . 1 1 1 A 39 39 ASN CB C 39 38.560 38.199 0.361 1
1 479 . 1 1 1 A 39 39 ASN N N 39 121.594 116.309 5.285 1
1 481 . 1 1 1 A 40 40 PRO HA H 40 4.310 4.369 -0.059 1
1 488 . 1 1 1 A 40 40 PRO C C 40 176.896 177.371 -0.475 1
1 489 . 1 1 1 A 40 40 PRO CA C 40 63.970 63.985 -0.015 1
1 490 . 1 1 1 A 40 40 PRO CB C 40 32.210 32.076 0.134 1
1 493 . 1 1 1 A 41 41 ASP H H 41 8.219 8.188 0.031 1
1 494 . 1 1 1 A 41 41 ASP HA H 41 4.516 4.601 -0.085 1
1 497 . 1 1 1 A 41 41 ASP C C 41 176.252 175.177 1.075 1
1 498 . 1 1 1 A 41 41 ASP CA C 41 54.740 56.226 -1.486 1
1 499 . 1 1 1 A 41 41 ASP CB C 41 41.100 40.432 0.668 1
1 500 . 1 1 1 A 41 41 ASP N N 41 118.818 119.541 -0.723 1
1 501 . 1 1 1 A 42 42 ASP H H 42 7.949 7.993 -0.044 1
1 502 . 1 1 1 A 42 42 ASP HA H 42 4.516 4.676 -0.160 1
1 505 . 1 1 1 A 42 42 ASP C C 42 176.567 175.978 0.589 1
1 506 . 1 1 1 A 42 42 ASP CA C 42 54.910 52.890 2.020 1
1 507 . 1 1 1 A 42 42 ASP CB C 42 41.100 41.379 -0.279 1
1 508 . 1 1 1 A 42 42 ASP N N 42 120.104 117.901 2.203 1
1 509 . 1 1 1 A 43 43 GLU H H 43 8.179 8.773 -0.594 1
1 510 . 1 1 1 A 43 43 GLU HA H 43 4.153 4.092 0.061 1
1 515 . 1 1 1 A 43 43 GLU C C 43 176.488 175.795 0.693 1
1 516 . 1 1 1 A 43 43 GLU CA C 43 57.070 58.850 -1.780 1
1 517 . 1 1 1 A 43 43 GLU CB C 43 30.430 30.567 -0.137 1
1 519 . 1 1 1 A 43 43 GLU N N 43 121.153 119.821 1.332 1
1 520 . 1 1 1 A 44 44 ASP H H 44 8.325 7.688 0.637 1
1 521 . 1 1 1 A 44 44 ASP HA H 44 4.517 4.882 -0.365 1
1 524 . 1 1 1 A 44 44 ASP C C 44 176.462 173.753 2.709 1
1 525 . 1 1 1 A 44 44 ASP CA C 44 54.360 54.071 0.289 1
1 526 . 1 1 1 A 44 44 ASP CB C 44 41.030 45.019 -3.989 1
1 527 . 1 1 1 A 44 44 ASP N N 44 121.100 118.213 2.887 1
1 528 . 1 1 1 A 45 45 ARG H H 45 8.106 8.410 -0.304 1
1 529 . 1 1 1 A 45 45 ARG HA H 45 4.252 4.532 -0.280 1
1 536 . 1 1 1 A 45 45 ARG C C 45 176.475 175.117 1.358 1
1 537 . 1 1 1 A 45 45 ARG CA C 45 56.000 54.905 1.095 1
1 538 . 1 1 1 A 45 45 ARG CB C 45 30.360 29.408 0.952 1
1 541 . 1 1 1 A 45 45 ARG N N 45 121.258 125.926 -4.668 1
1 542 . 1 1 1 A 46 46 ALA H H 46 8.235 8.532 -0.297 1
1 543 . 1 1 1 A 46 46 ALA HA H 46 4.220 4.284 -0.064 1
1 547 . 1 1 1 A 46 46 ALA C C 46 178.196 177.368 0.828 1
1 548 . 1 1 1 A 46 46 ALA CA C 46 53.070 51.841 1.229 1
1 549 . 1 1 1 A 46 46 ALA CB C 46 18.840 17.371 1.469 1
1 550 . 1 1 1 A 46 46 ALA N N 46 124.506 128.996 -4.490 1
1 551 . 1 1 1 A 47 47 SER H H 47 8.150 8.196 -0.046 1
1 552 . 1 1 1 A 47 47 SER HA H 47 4.331 4.707 -0.376 1
1 555 . 1 1 1 A 47 47 SER C C 47 174.727 173.448 1.279 1
1 556 . 1 1 1 A 47 47 SER CA C 47 58.820 57.707 1.113 1
1 557 . 1 1 1 A 47 47 SER CB C 47 63.520 64.607 -1.087 1
1 558 . 1 1 1 A 47 47 SER N N 47 114.398 118.512 -4.114 1
1 559 . 1 1 1 A 48 48 GLU H H 48 8.235 7.785 0.450 1
1 560 . 1 1 1 A 48 48 GLU HA H 48 4.244 4.052 0.192 1
1 565 . 1 1 1 A 48 48 GLU C C 48 176.396 176.987 -0.591 1
1 566 . 1 1 1 A 48 48 GLU CA C 48 56.550 56.224 0.326 1
1 567 . 1 1 1 A 48 48 GLU CB C 48 30.330 30.484 -0.154 1
1 569 . 1 1 1 A 48 48 GLU N N 48 122.340 123.473 -1.133 1
1 570 . 1 1 1 A 49 49 ARG H H 49 8.174 8.608 -0.434 1
1 571 . 1 1 1 A 49 49 ARG HA H 49 4.339 3.826 0.513 1
1 578 . 1 1 1 A 49 49 ARG C C 49 176.344 176.547 -0.203 1
1 579 . 1 1 1 A 49 49 ARG CA C 49 55.900 57.041 -1.141 1
1 580 . 1 1 1 A 49 49 ARG CB C 49 30.980 29.893 1.087 1
1 583 . 1 1 1 A 49 49 ARG N N 49 121.431 126.780 -5.349 1
1 584 . 1 1 1 A 50 50 SER H H 50 8.389 7.803 0.586 1
1 585 . 1 1 1 A 50 50 SER HA H 50 4.392 4.458 -0.066 1
1 588 . 1 1 1 A 50 50 SER C C 50 174.517 174.223 0.294 1
1 589 . 1 1 1 A 50 50 SER CA C 50 58.230 59.047 -0.817 1
1 590 . 1 1 1 A 50 50 SER CB C 50 64.010 63.638 0.372 1
1 591 . 1 1 1 A 50 50 SER N N 50 117.321 113.971 3.350 1
1 592 . 1 1 1 A 51 51 ASN H H 51 8.488 7.778 0.710 1
1 593 . 1 1 1 A 51 51 ASN HA H 51 4.657 4.838 -0.181 1
1 598 . 1 1 1 A 51 51 ASN C C 51 175.122 174.028 1.094 1
1 599 . 1 1 1 A 51 51 ASN CA C 51 53.780 52.316 1.464 1
1 600 . 1 1 1 A 51 51 ASN CB C 51 38.770 38.654 0.116 1
1 601 . 1 1 1 A 51 51 ASN N N 51 120.903 119.781 1.122 1
1 603 . 1 1 1 A 52 52 ASP H H 52 8.231 9.098 -0.867 1
1 604 . 1 1 1 A 52 52 ASP HA H 52 4.517 4.818 -0.301 1
1 607 . 1 1 1 A 52 52 ASP C C 52 176.291 174.435 1.856 1
1 608 . 1 1 1 A 52 52 ASP CA C 52 54.500 53.241 1.259 1
1 609 . 1 1 1 A 52 52 ASP CB C 52 41.170 39.185 1.985 1
1 610 . 1 1 1 A 52 52 ASP N N 52 120.236 128.744 -8.508 1
1 611 . 1 1 1 A 53 53 GLU H H 53 8.139 7.629 0.510 1
1 612 . 1 1 1 A 53 53 GLU HA H 53 4.194 4.899 -0.705 1
1 617 . 1 1 1 A 53 53 GLU C C 53 176.606 176.449 0.157 1
1 618 . 1 1 1 A 53 53 GLU CA C 53 56.930 54.349 2.581 1
1 619 . 1 1 1 A 53 53 GLU CB C 53 30.500 33.676 -3.176 1
1 621 . 1 1 1 A 53 53 GLU N N 53 120.655 123.467 -2.812 1
1 622 . 1 1 1 A 54 54 VAL H H 54 8.061 8.756 -0.695 1
1 623 . 1 1 1 A 54 54 VAL HA H 54 3.978 3.878 0.100 1
1 631 . 1 1 1 A 54 54 VAL C C 54 176.278 176.318 -0.040 1
1 632 . 1 1 1 A 54 54 VAL CA C 54 62.880 66.063 -3.183 1
1 633 . 1 1 1 A 54 54 VAL CB C 54 32.660 32.098 0.562 1
1 636 . 1 1 1 A 54 54 VAL N N 54 121.320 121.676 -0.356 1
1 637 . 1 1 1 A 55 55 LEU H H 55 8.209 8.029 0.180 1
1 638 . 1 1 1 A 55 55 LEU HA H 55 4.273 4.122 0.151 1
1 648 . 1 1 1 A 55 55 LEU C C 55 177.355 176.933 0.422 1
1 649 . 1 1 1 A 55 55 LEU CA C 55 55.290 55.640 -0.350 1
1 650 . 1 1 1 A 55 55 LEU CB C 55 42.190 40.765 1.425 1
1 654 . 1 1 1 A 55 55 LEU N N 55 125.139 122.011 3.128 1
1 655 . 1 1 1 A 56 56 ASP H H 56 8.204 8.604 -0.400 1
1 656 . 1 1 1 A 56 56 ASP HA H 56 4.516 4.391 0.125 1
1 659 . 1 1 1 A 56 56 ASP C C 56 176.633 177.714 -1.081 1
1 660 . 1 1 1 A 56 56 ASP CA C 56 54.360 56.268 -1.908 1
1 661 . 1 1 1 A 56 56 ASP CB C 56 41.070 40.945 0.125 1
1 662 . 1 1 1 A 56 56 ASP N N 56 121.154 128.313 -7.159 1
1 663 . 1 1 1 A 57 57 GLU H H 57 8.316 7.986 0.330 1
1 664 . 1 1 1 A 57 57 GLU HA H 57 4.164 4.358 -0.194 1
1 669 . 1 1 1 A 57 57 GLU C C 57 177.158 177.240 -0.082 1
1 670 . 1 1 1 A 57 57 GLU CA C 57 57.650 57.787 -0.137 1
1 671 . 1 1 1 A 57 57 GLU CB C 57 30.020 29.841 0.179 1
1 673 . 1 1 1 A 57 57 GLU N N 57 120.771 116.986 3.785 1
1 674 . 1 1 1 A 58 58 LEU H H 58 8.204 7.120 1.084 1
1 675 . 1 1 1 A 58 58 LEU HA H 58 4.231 4.346 -0.115 1
1 685 . 1 1 1 A 58 58 LEU C C 58 178.538 177.437 1.101 1
1 686 . 1 1 1 A 58 58 LEU CA C 58 55.690 54.691 0.999 1
1 687 . 1 1 1 A 58 58 LEU CB C 58 42.230 42.000 0.230 1
1 691 . 1 1 1 A 58 58 LEU N N 58 120.716 121.597 -0.881 1
1 692 . 1 1 1 A 59 59 GLY H H 59 8.212 8.543 -0.331 1
1 693 . 1 1 1 A 59 59 GLY HA2 H 59 3.917 4.044 -0.127 1
1 694 . 1 1 1 A 59 59 GLY HA3 H 59 3.917 4.055 -0.138 1
1 695 . 1 1 1 A 59 59 GLY C C 59 174.294 175.117 -0.823 1
1 696 . 1 1 1 A 59 59 GLY CA C 59 45.550 45.705 -0.155 1
1 697 . 1 1 1 A 59 59 GLY N N 59 108.670 110.625 -1.955 1
1 698 . 1 1 1 A 60 60 GLN H H 60 8.310 8.599 -0.289 1
1 699 . 1 1 1 A 60 60 GLN HA H 60 4.079 4.035 0.044 1
1 706 . 1 1 1 A 60 60 GLN C C 60 177.171 178.158 -0.987 1
1 707 . 1 1 1 A 60 60 GLN CA C 60 57.590 58.936 -1.346 1
1 708 . 1 1 1 A 60 60 GLN CB C 60 28.960 28.359 0.601 1
1 710 . 1 1 1 A 60 60 GLN N N 60 120.662 123.048 -2.386 1
1 712 . 1 1 1 A 61 61 VAL H H 61 8.136 8.147 -0.011 1
1 713 . 1 1 1 A 61 61 VAL HA H 61 3.971 3.726 0.245 1
1 721 . 1 1 1 A 61 61 VAL C C 61 178.262 178.321 -0.059 1
1 722 . 1 1 1 A 61 61 VAL CA C 61 64.420 66.041 -1.621 1
1 723 . 1 1 1 A 61 61 VAL CB C 61 32.110 31.154 0.956 1
1 726 . 1 1 1 A 61 61 VAL N N 61 119.154 119.800 -0.646 1
1 727 . 1 1 1 A 62 62 GLY H H 62 8.183 8.157 0.026 1
1 728 . 1 1 1 A 62 62 GLY HA2 H 62 3.966 3.675 0.291 1
1 729 . 1 1 1 A 62 62 GLY HA3 H 62 3.783 3.683 0.100 1
1 730 . 1 1 1 A 62 62 GLY C C 62 174.872 175.863 -0.991 1
1 731 . 1 1 1 A 62 62 GLY CA C 62 46.780 47.163 -0.383 1
1 732 . 1 1 1 A 62 62 GLY N N 62 110.813 108.560 2.253 1
1 733 . 1 1 1 A 63 63 GLN H H 63 8.235 7.990 0.245 1
1 734 . 1 1 1 A 63 63 GLN HA H 63 3.966 3.935 0.031 1
1 741 . 1 1 1 A 63 63 GLN C C 63 178.170 178.490 -0.320 1
1 742 . 1 1 1 A 63 63 GLN CA C 63 58.990 58.548 0.442 1
1 743 . 1 1 1 A 63 63 GLN CB C 63 28.500 28.456 0.044 1
1 745 . 1 1 1 A 63 63 GLN N N 63 120.667 121.165 -0.498 1
1 747 . 1 1 1 A 64 64 ASP H H 64 8.386 8.160 0.226 1
1 748 . 1 1 1 A 64 64 ASP HA H 64 4.347 4.330 0.017 1
1 751 . 1 1 1 A 64 64 ASP C C 64 178.669 178.508 0.161 1
1 752 . 1 1 1 A 64 64 ASP CA C 64 56.860 57.553 -0.693 1
1 753 . 1 1 1 A 64 64 ASP CB C 64 39.970 41.010 -1.040 1
1 754 . 1 1 1 A 64 64 ASP N N 64 120.058 119.640 0.418 1
1 755 . 1 1 1 A 65 65 GLU H H 65 7.992 7.983 0.009 1
1 756 . 1 1 1 A 65 65 GLU HA H 65 3.542 4.071 -0.529 1
1 761 . 1 1 1 A 65 65 GLU C C 65 177.842 179.049 -1.207 1
1 762 . 1 1 1 A 65 65 GLU CA C 65 59.560 58.976 0.584 1
1 763 . 1 1 1 A 65 65 GLU CB C 65 29.100 29.357 -0.257 1
1 765 . 1 1 1 A 65 65 GLU N N 65 123.846 119.521 4.325 1
1 766 . 1 1 1 A 66 66 LEU H H 66 8.100 8.294 -0.194 1
1 767 . 1 1 1 A 66 66 LEU HA H 66 3.783 3.905 -0.122 1
1 777 . 1 1 1 A 66 66 LEU C C 66 178.893 179.040 -0.147 1
1 778 . 1 1 1 A 66 66 LEU CA C 66 58.610 57.352 1.258 1
1 779 . 1 1 1 A 66 66 LEU CB C 66 41.510 40.769 0.741 1
1 783 . 1 1 1 A 66 66 LEU N N 66 119.444 119.660 -0.216 1
1 784 . 1 1 1 A 67 67 ARG H H 67 7.870 8.000 -0.130 1
1 785 . 1 1 1 A 67 67 ARG HA H 67 4.095 3.958 0.137 1
1 792 . 1 1 1 A 67 67 ARG C C 67 179.484 178.202 1.282 1
1 793 . 1 1 1 A 67 67 ARG CA C 67 59.490 59.424 0.066 1
1 794 . 1 1 1 A 67 67 ARG CB C 67 30.230 29.806 0.424 1
1 797 . 1 1 1 A 67 67 ARG N N 67 118.088 121.281 -3.193 1
1 798 . 1 1 1 A 68 68 ALA H H 68 7.820 7.714 0.106 1
1 799 . 1 1 1 A 68 68 ALA HA H 68 4.188 4.027 0.161 1
1 803 . 1 1 1 A 68 68 ALA C C 68 181.626 180.404 1.222 1
1 804 . 1 1 1 A 68 68 ALA CA C 68 54.840 55.026 -0.186 1
1 805 . 1 1 1 A 68 68 ALA CB C 68 18.400 18.519 -0.119 1
1 806 . 1 1 1 A 68 68 ALA N N 68 123.318 121.711 1.607 1
1 807 . 1 1 1 A 69 69 ILE H H 69 8.643 7.761 0.882 1
1 808 . 1 1 1 A 69 69 ILE HA H 69 3.539 3.677 -0.138 1
1 818 . 1 1 1 A 69 69 ILE C C 69 177.290 177.634 -0.344 1
1 819 . 1 1 1 A 69 69 ILE CA C 69 66.370 65.405 0.965 1
1 820 . 1 1 1 A 69 69 ILE CB C 69 38.090 37.870 0.220 1
1 824 . 1 1 1 A 69 69 ILE N N 69 122.954 119.106 3.848 1
1 825 . 1 1 1 A 70 70 ASP H H 70 8.415 8.329 0.086 1
1 826 . 1 1 1 A 70 70 ASP HA H 70 4.336 4.395 -0.059 1
1 829 . 1 1 1 A 70 70 ASP C C 70 179.786 178.145 1.641 1
1 830 . 1 1 1 A 70 70 ASP CA C 70 58.130 57.666 0.464 1
1 831 . 1 1 1 A 70 70 ASP CB C 70 40.310 41.173 -0.863 1
1 832 . 1 1 1 A 70 70 ASP N N 70 121.571 121.177 0.394 1
1 833 . 1 1 1 A 71 71 ALA H H 71 7.869 8.132 -0.263 1
1 834 . 1 1 1 A 71 71 ALA HA H 71 4.215 4.141 0.074 1
1 838 . 1 1 1 A 71 71 ALA C C 71 180.246 179.726 0.520 1
1 839 . 1 1 1 A 71 71 ALA CA C 71 54.500 54.520 -0.020 1
1 840 . 1 1 1 A 71 71 ALA CB C 71 17.680 18.093 -0.413 1
1 841 . 1 1 1 A 71 71 ALA N N 71 121.459 120.934 0.525 1
1 842 . 1 1 1 A 72 72 ALA H H 72 8.263 7.781 0.482 1
1 843 . 1 1 1 A 72 72 ALA HA H 72 4.045 4.272 -0.227 1
1 847 . 1 1 1 A 72 72 ALA C C 72 179.668 179.973 -0.305 1
1 848 . 1 1 1 A 72 72 ALA CA C 72 55.560 55.058 0.502 1
1 849 . 1 1 1 A 72 72 ALA CB C 72 19.870 18.313 1.557 1
1 850 . 1 1 1 A 72 72 ALA N N 72 123.378 120.861 2.517 1
1 851 . 1 1 1 A 73 73 LEU H H 73 8.790 8.339 0.451 1
1 852 . 1 1 1 A 73 73 LEU HA H 73 3.920 3.903 0.017 1
1 862 . 1 1 1 A 73 73 LEU C C 73 180.286 179.288 0.998 1
1 863 . 1 1 1 A 73 73 LEU CA C 73 58.130 57.807 0.323 1
1 864 . 1 1 1 A 73 73 LEU CB C 73 41.200 40.747 0.453 1
1 868 . 1 1 1 A 73 73 LEU N N 73 119.015 118.663 0.352 1
1 869 . 1 1 1 A 74 74 ALA H H 74 7.931 7.779 0.152 1
1 870 . 1 1 1 A 74 74 ALA HA H 74 4.273 4.133 0.140 1
1 874 . 1 1 1 A 74 74 ALA C C 74 180.811 179.525 1.286 1
1 875 . 1 1 1 A 74 74 ALA CA C 74 54.960 54.985 -0.025 1
1 876 . 1 1 1 A 74 74 ALA CB C 74 17.690 18.047 -0.357 1
1 877 . 1 1 1 A 74 74 ALA N N 74 124.135 122.086 2.049 1
1 878 . 1 1 1 A 75 75 ARG H H 75 7.898 7.695 0.203 1
1 879 . 1 1 1 A 75 75 ARG HA H 75 4.138 4.090 0.048 1
1 886 . 1 1 1 A 75 75 ARG C C 75 179.721 179.221 0.500 1
1 887 . 1 1 1 A 75 75 ARG CA C 75 60.170 59.283 0.887 1
1 888 . 1 1 1 A 75 75 ARG CB C 75 29.970 30.225 -0.255 1
1 891 . 1 1 1 A 75 75 ARG N N 75 120.143 116.939 3.204 1
1 892 . 1 1 1 A 76 76 ILE H H 76 8.061 7.882 0.179 1
1 893 . 1 1 1 A 76 76 ILE HA H 76 3.697 3.749 -0.052 1
1 903 . 1 1 1 A 76 76 ILE C C 76 179.392 177.833 1.559 1
1 904 . 1 1 1 A 76 76 ILE CA C 76 66.060 65.450 0.610 1
1 905 . 1 1 1 A 76 76 ILE CB C 76 37.240 37.805 -0.565 1
1 909 . 1 1 1 A 76 76 ILE N N 76 121.537 121.486 0.051 1
1 910 . 1 1 1 A 77 77 ALA H H 77 7.735 8.154 -0.419 1
1 911 . 1 1 1 A 77 77 ALA HA H 77 4.132 4.134 -0.002 1
1 915 . 1 1 1 A 77 77 ALA C C 77 179.326 180.024 -0.698 1
1 916 . 1 1 1 A 77 77 ALA CA C 77 54.910 55.236 -0.326 1
1 917 . 1 1 1 A 77 77 ALA CB C 77 17.950 18.032 -0.082 1
1 918 . 1 1 1 A 77 77 ALA N N 77 122.664 122.193 0.471 1
1 919 . 1 1 1 A 78 78 SER H H 78 7.999 7.569 0.430 1
1 920 . 1 1 1 A 78 78 SER HA H 78 4.472 4.526 -0.054 1
1 923 . 1 1 1 A 78 78 SER C C 78 174.675 174.854 -0.179 1
1 924 . 1 1 1 A 78 78 SER CA C 78 59.260 58.545 0.715 1
1 925 . 1 1 1 A 78 78 SER CB C 78 64.070 63.782 0.288 1
1 926 . 1 1 1 A 78 78 SER N N 78 111.061 110.705 0.356 1
1 927 . 1 1 1 A 79 79 GLY H H 79 7.844 7.914 -0.070 1
1 928 . 1 1 1 A 79 79 GLY HA2 H 79 4.233 3.961 0.272 1
1 929 . 1 1 1 A 79 79 GLY HA3 H 79 4.087 3.974 0.113 1
1 930 . 1 1 1 A 79 79 GLY C C 79 175.687 174.006 1.681 1
1 931 . 1 1 1 A 79 79 GLY CA C 79 46.470 46.112 0.358 1
1 932 . 1 1 1 A 79 79 GLY N N 79 109.909 109.115 0.794 1
1 933 . 1 1 1 A 80 80 THR H H 80 8.408 8.054 0.354 1
1 934 . 1 1 1 A 80 80 THR HA H 80 4.504 4.617 -0.113 1
1 939 . 1 1 1 A 80 80 THR C C 80 174.793 173.885 0.908 1
1 940 . 1 1 1 A 80 80 THR CA C 80 60.280 60.967 -0.687 1
1 941 . 1 1 1 A 80 80 THR CB C 80 69.000 69.627 -0.627 1
1 943 . 1 1 1 A 80 80 THR N N 80 109.416 115.657 -6.241 1
1 944 . 1 1 1 A 81 81 PHE H H 81 7.610 7.771 -0.161 1
1 945 . 1 1 1 A 81 81 PHE HA H 81 3.944 4.240 -0.296 1
1 950 . 1 1 1 A 81 81 PHE C C 81 176.462 176.876 -0.414 1
1 951 . 1 1 1 A 81 81 PHE CA C 81 59.940 59.975 -0.035 1
1 952 . 1 1 1 A 81 81 PHE CB C 81 39.700 38.718 0.982 1
1 954 . 1 1 1 A 81 81 PHE N N 81 123.672 123.648 0.024 1
1 955 . 1 1 1 A 82 82 GLY H H 82 8.827 8.156 0.671 1
1 956 . 1 1 1 A 82 82 GLY HA2 H 82 4.000 3.425 0.575 1
1 957 . 1 1 1 A 82 82 GLY HA3 H 82 2.606 3.647 -1.041 1
1 958 . 1 1 1 A 82 82 GLY C C 82 172.388 173.918 -1.530 1
1 959 . 1 1 1 A 82 82 GLY CA C 82 44.590 46.106 -1.516 1
1 960 . 1 1 1 A 82 82 GLY N N 82 115.493 113.883 1.610 1
1 961 . 1 1 1 A 83 83 THR H H 83 7.265 7.497 -0.232 1
1 962 . 1 1 1 A 83 83 THR HA H 83 4.418 4.682 -0.264 1
1 967 . 1 1 1 A 83 83 THR C C 83 173.808 173.134 0.674 1
1 968 . 1 1 1 A 83 83 THR CA C 83 61.180 60.958 0.222 1
1 969 . 1 1 1 A 83 83 THR CB C 83 70.020 71.218 -1.198 1
1 971 . 1 1 1 A 83 83 THR N N 83 115.366 114.016 1.350 1
1 972 . 1 1 1 A 84 84 CYS H H 84 9.410 8.627 0.783 1
1 973 . 1 1 1 A 84 84 CYS HA H 84 4.339 4.776 -0.437 1
1 976 . 1 1 1 A 84 84 CYS C C 84 177.986 175.963 2.023 1
1 977 . 1 1 1 A 84 84 CYS CA C 84 60.080 59.964 0.116 1
1 978 . 1 1 1 A 84 84 CYS CB C 84 30.630 28.444 2.186 1
1 979 . 1 1 1 A 84 84 CYS N N 84 131.144 126.010 5.134 1
1 980 . 1 1 1 A 85 85 VAL H H 85 8.461 8.471 -0.010 1
1 981 . 1 1 1 A 85 85 VAL HA H 85 3.918 3.678 0.240 1
1 989 . 1 1 1 A 85 85 VAL C C 85 175.608 177.334 -1.726 1
1 990 . 1 1 1 A 85 85 VAL CA C 85 64.080 65.493 -1.413 1
1 991 . 1 1 1 A 85 85 VAL CB C 85 31.730 31.457 0.273 1
1 994 . 1 1 1 A 85 85 VAL N N 85 126.221 125.781 0.440 1
1 995 . 1 1 1 A 86 86 LYS H H 86 8.924 7.976 0.948 1
1 996 . 1 1 1 A 86 86 LYS HA H 86 4.496 4.141 0.355 1
1 1005 . 1 1 1 A 86 86 LYS C C 86 177.277 177.462 -0.185 1
1 1006 . 1 1 1 A 86 86 LYS CA C 86 58.500 58.510 -0.010 1
1 1007 . 1 1 1 A 86 86 LYS CB C 86 33.780 32.414 1.366 1
1 1011 . 1 1 1 A 86 86 LYS N N 86 123.551 122.010 1.541 1
1 1012 . 1 1 1 A 87 87 CYS H H 87 8.264 7.593 0.671 1
1 1013 . 1 1 1 A 87 87 CYS HA H 87 4.925 4.560 0.365 1
1 1016 . 1 1 1 A 87 87 CYS C C 87 177.211 175.565 1.646 1
1 1017 . 1 1 1 A 87 87 CYS CA C 87 58.980 59.559 -0.579 1
1 1018 . 1 1 1 A 87 87 CYS CB C 87 33.100 29.900 3.200 1
1 1019 . 1 1 1 A 87 87 CYS N N 87 117.502 115.883 1.619 1
1 1020 . 1 1 1 A 88 88 GLY H H 88 7.655 8.374 -0.719 1
1 1021 . 1 1 1 A 88 88 GLY HA2 H 88 4.159 3.943 0.216 1
1 1022 . 1 1 1 A 88 88 GLY HA3 H 88 3.729 3.944 -0.215 1
1 1023 . 1 1 1 A 88 88 GLY C C 88 173.558 173.594 -0.036 1
1 1024 . 1 1 1 A 88 88 GLY CA C 88 46.300 46.115 0.185 1
1 1025 . 1 1 1 A 88 88 GLY N N 88 111.948 110.486 1.462 1
1 1026 . 1 1 1 A 89 89 LYS H H 89 8.721 7.486 1.235 1
1 1027 . 1 1 1 A 89 89 LYS HA H 89 4.315 4.888 -0.573 1
1 1036 . 1 1 1 A 89 89 LYS C C 89 176.659 175.472 1.187 1
1 1037 . 1 1 1 A 89 89 LYS CA C 89 56.860 54.110 2.750 1
1 1038 . 1 1 1 A 89 89 LYS CB C 89 33.540 36.644 -3.104 1
1 1042 . 1 1 1 A 89 89 LYS N N 89 123.614 119.414 4.200 1
1 1043 . 1 1 1 A 90 90 ARG H H 90 8.415 8.505 -0.090 1
1 1044 . 1 1 1 A 90 90 ARG HA H 90 4.299 4.446 -0.147 1
1 1051 . 1 1 1 A 90 90 ARG C C 90 176.041 175.869 0.172 1
1 1052 . 1 1 1 A 90 90 ARG CA C 90 56.030 56.427 -0.397 1
1 1053 . 1 1 1 A 90 90 ARG CB C 90 29.470 30.955 -1.485 1
1 1056 . 1 1 1 A 90 90 ARG N N 90 121.880 121.775 0.105 1
1 1057 . 1 1 1 A 91 91 ILE H H 91 8.334 8.335 -0.001 1
1 1058 . 1 1 1 A 91 91 ILE HA H 91 3.668 4.502 -0.834 1
1 1068 . 1 1 1 A 91 91 ILE C C 91 175.003 176.152 -1.149 1
1 1069 . 1 1 1 A 91 91 ILE CA C 91 61.810 60.120 1.690 1
1 1070 . 1 1 1 A 91 91 ILE CB C 91 38.920 39.509 -0.589 1
1 1074 . 1 1 1 A 91 91 ILE N N 91 128.410 124.015 4.395 1
1 1075 . 1 1 1 A 92 92 SER H H 92 8.551 8.635 -0.084 1
1 1076 . 1 1 1 A 92 92 SER HA H 92 4.180 4.430 -0.250 1
1 1079 . 1 1 1 A 92 92 SER C C 92 175.108 174.881 0.227 1
1 1080 . 1 1 1 A 92 92 SER CA C 92 58.460 58.906 -0.446 1
1 1081 . 1 1 1 A 92 92 SER CB C 92 64.180 63.605 0.575 1
1 1082 . 1 1 1 A 92 92 SER N N 92 124.170 120.539 3.631 1
1 1083 . 1 1 1 A 93 93 GLU H H 93 8.912 8.804 0.108 1
1 1084 . 1 1 1 A 93 93 GLU HA H 93 3.939 3.948 -0.009 1
1 1089 . 1 1 1 A 93 93 GLU C C 93 178.144 177.821 0.323 1
1 1090 . 1 1 1 A 93 93 GLU CA C 93 60.080 59.599 0.481 1
1 1091 . 1 1 1 A 93 93 GLU CB C 93 29.960 29.292 0.668 1
1 1093 . 1 1 1 A 93 93 GLU N N 93 123.996 124.973 -0.977 1
1 1094 . 1 1 1 A 94 94 ASP H H 94 8.311 8.155 0.156 1
1 1095 . 1 1 1 A 94 94 ASP HA H 94 4.252 4.440 -0.188 1
1 1098 . 1 1 1 A 94 94 ASP C C 94 178.472 178.423 0.049 1
1 1099 . 1 1 1 A 94 94 ASP CA C 94 57.240 56.452 0.788 1
1 1100 . 1 1 1 A 94 94 ASP CB C 94 40.420 40.209 0.211 1
1 1101 . 1 1 1 A 94 94 ASP N N 94 116.432 119.594 -3.162 1
1 1102 . 1 1 1 A 95 95 ARG H H 95 7.365 7.992 -0.627 1
1 1103 . 1 1 1 A 95 95 ARG HA H 95 4.067 4.048 0.019 1
1 1110 . 1 1 1 A 95 95 ARG C C 95 177.237 178.720 -1.483 1
1 1111 . 1 1 1 A 95 95 ARG CA C 95 58.870 58.878 -0.008 1
1 1112 . 1 1 1 A 95 95 ARG CB C 95 29.100 29.892 -0.792 1
1 1115 . 1 1 1 A 95 95 ARG N N 95 121.517 120.709 0.808 1
1 1116 . 1 1 1 A 96 96 LEU H H 96 7.831 7.716 0.115 1
1 1117 . 1 1 1 A 96 96 LEU HA H 96 3.735 4.117 -0.382 1
1 1127 . 1 1 1 A 96 96 LEU C C 96 177.855 179.263 -1.408 1
1 1128 . 1 1 1 A 96 96 LEU CA C 96 56.930 56.727 0.203 1
1 1129 . 1 1 1 A 96 96 LEU CB C 96 41.300 41.014 0.286 1
1 1133 . 1 1 1 A 96 96 LEU N N 96 119.073 119.564 -0.491 1
1 1134 . 1 1 1 A 97 97 LYS H H 97 8.098 8.409 -0.311 1
1 1135 . 1 1 1 A 97 97 LYS HA H 97 4.014 4.369 -0.355 1
1 1144 . 1 1 1 A 97 97 LYS C C 97 178.433 178.616 -0.183 1
1 1145 . 1 1 1 A 97 97 LYS CA C 97 59.080 59.092 -0.012 1
1 1146 . 1 1 1 A 97 97 LYS CB C 97 32.830 31.971 0.859 1
1 1150 . 1 1 1 A 97 97 LYS N N 97 114.647 118.690 -4.043 1
1 1151 . 1 1 1 A 98 98 ALA H H 98 7.011 7.310 -0.299 1
1 1152 . 1 1 1 A 98 98 ALA HA H 98 4.196 4.276 -0.080 1
1 1156 . 1 1 1 A 98 98 ALA C C 98 178.814 177.826 0.988 1
1 1157 . 1 1 1 A 98 98 ALA CA C 98 54.480 53.938 0.542 1
1 1158 . 1 1 1 A 98 98 ALA CB C 98 19.380 19.652 -0.272 1
1 1159 . 1 1 1 A 98 98 ALA N N 98 119.536 120.611 -1.075 1
1 1160 . 1 1 1 A 99 99 VAL H H 99 8.133 7.769 0.364 1
1 1161 . 1 1 1 A 99 99 VAL HA H 99 4.098 4.067 0.031 1
1 1169 . 1 1 1 A 99 99 VAL CA C 99 58.260 59.073 -0.813 1
1 1170 . 1 1 1 A 99 99 VAL CB C 99 32.530 32.381 0.149 1
1 1173 . 1 1 1 A 99 99 VAL N N 99 114.735 115.243 -0.508 1
1 1174 . 1 1 1 A 100 100 PRO HA H 100 4.761 4.524 0.237 1
1 1181 . 1 1 1 A 100 100 PRO C C 100 175.437 176.992 -1.555 1
1 1182 . 1 1 1 A 100 100 PRO CA C 100 65.370 64.042 1.328 1
1 1183 . 1 1 1 A 100 100 PRO CB C 100 31.190 31.831 -0.641 1
1 1186 . 1 1 1 A 101 101 TYR H H 101 6.053 7.621 -1.568 1
1 1187 . 1 1 1 A 101 101 TYR HA H 101 4.463 4.683 -0.220 1
1 1194 . 1 1 1 A 101 101 TYR C C 101 175.871 174.405 1.466 1
1 1195 . 1 1 1 A 101 101 TYR CA C 101 53.920 57.108 -3.188 1
1 1196 . 1 1 1 A 101 101 TYR CB C 101 38.230 38.496 -0.266 1
1 1199 . 1 1 1 A 101 101 TYR N N 101 108.211 115.399 -7.188 1
1 1200 . 1 1 1 A 102 102 THR H H 102 7.466 7.369 0.097 1
1 1201 . 1 1 1 A 102 102 THR HA H 102 4.384 4.745 -0.361 1
1 1206 . 1 1 1 A 102 102 THR CA C 102 60.030 57.913 2.117 1
1 1207 . 1 1 1 A 102 102 THR CB C 102 69.600 71.009 -1.409 1
1 1209 . 1 1 1 A 102 102 THR N N 102 120.556 114.838 5.718 1
1 1210 . 1 1 1 A 103 103 PRO HA H 103 4.244 4.374 -0.130 1
1 1217 . 1 1 1 A 103 103 PRO C C 103 176.344 175.926 0.418 1
1 1218 . 1 1 1 A 103 103 PRO CA C 103 62.400 63.462 -1.062 1
1 1219 . 1 1 1 A 103 103 PRO CB C 103 32.250 31.580 0.670 1
1 1222 . 1 1 1 A 104 104 PHE H H 104 7.365 6.768 0.597 1
1 1223 . 1 1 1 A 104 104 PHE HA H 104 6.207 5.042 1.165 1
1 1230 . 1 1 1 A 104 104 PHE C C 104 176.133 175.855 0.278 1
1 1231 . 1 1 1 A 104 104 PHE CA C 104 55.220 56.342 -1.122 1
1 1232 . 1 1 1 A 104 104 PHE CB C 104 44.480 41.231 3.249 1
1 1235 . 1 1 1 A 104 104 PHE N N 104 115.933 118.612 -2.679 1
1 1236 . 1 1 1 A 105 105 CYS H H 105 9.248 8.742 0.506 1
1 1237 . 1 1 1 A 105 105 CYS HA H 105 4.638 4.734 -0.096 1
1 1240 . 1 1 1 A 105 105 CYS C C 105 174.254 175.805 -1.551 1
1 1241 . 1 1 1 A 105 105 CYS CA C 105 58.060 57.871 0.189 1
1 1242 . 1 1 1 A 105 105 CYS CB C 105 31.250 30.135 1.115 1
1 1243 . 1 1 1 A 105 105 CYS N N 105 118.999 120.641 -1.642 1
1 1244 . 1 1 1 A 106 106 GLN H H 106 8.865 8.850 0.015 1
1 1245 . 1 1 1 A 106 106 GLN HA H 106 3.611 3.943 -0.332 1
1 1252 . 1 1 1 A 106 106 GLN C C 106 177.250 177.616 -0.366 1
1 1253 . 1 1 1 A 106 106 GLN CA C 106 59.430 59.062 0.368 1
1 1254 . 1 1 1 A 106 106 GLN CB C 106 28.750 28.198 0.552 1
1 1256 . 1 1 1 A 106 106 GLN N N 106 119.606 122.377 -2.771 1
1 1258 . 1 1 1 A 107 107 GLU H H 107 8.134 8.613 -0.479 1
1 1259 . 1 1 1 A 107 107 GLU HA H 107 3.959 4.079 -0.120 1
1 1264 . 1 1 1 A 107 107 GLU C C 107 179.616 179.543 0.073 1
1 1265 . 1 1 1 A 107 107 GLU CA C 107 60.110 59.025 1.085 1
1 1266 . 1 1 1 A 107 107 GLU CB C 107 29.990 29.100 0.890 1
1 1268 . 1 1 1 A 107 107 GLU N N 107 119.554 118.927 0.627 1
1 1269 . 1 1 1 A 108 108 CYS H H 108 8.681 8.129 0.552 1
1 1270 . 1 1 1 A 108 108 CYS HA H 108 3.783 4.085 -0.302 1
1 1273 . 1 1 1 A 108 108 CYS C C 108 177.868 176.695 1.173 1
1 1274 . 1 1 1 A 108 108 CYS CA C 108 64.110 63.170 0.940 1
1 1275 . 1 1 1 A 108 108 CYS CB C 108 29.270 26.792 2.478 1
1 1276 . 1 1 1 A 108 108 CYS N N 108 123.406 118.711 4.695 1
1 1277 . 1 1 1 A 109 109 ALA H H 109 8.094 8.467 -0.373 1
1 1278 . 1 1 1 A 109 109 ALA HA H 109 3.693 4.050 -0.357 1
1 1282 . 1 1 1 A 109 109 ALA C C 109 178.591 180.010 -1.419 1
1 1283 . 1 1 1 A 109 109 ALA CA C 109 53.710 55.123 -1.413 1
1 1284 . 1 1 1 A 109 109 ALA CB C 109 18.430 18.264 0.166 1
1 1285 . 1 1 1 A 109 109 ALA N N 109 120.579 122.199 -1.620 1
1 1286 . 1 1 1 A 110 110 ALA H H 110 7.402 7.857 -0.455 1
1 1287 . 1 1 1 A 110 110 ALA HA H 110 4.111 4.194 -0.083 1
1 1291 . 1 1 1 A 110 110 ALA C C 110 177.408 178.878 -1.470 1
1 1292 . 1 1 1 A 110 110 ALA CA C 110 53.000 53.859 -0.859 1
1 1293 . 1 1 1 A 110 110 ALA CB C 110 18.710 18.572 0.138 1
1 1294 . 1 1 1 A 110 110 ALA N N 110 118.992 119.430 -0.438 1
1 1295 . 1 1 1 A 111 111 ALA H H 111 7.247 7.406 -0.159 1
1 1296 . 1 1 1 A 111 111 ALA HA H 111 4.300 4.347 -0.047 1
1 1300 . 1 1 1 A 111 111 ALA C C 111 176.488 178.022 -1.534 1
1 1301 . 1 1 1 A 111 111 ALA CA C 111 51.840 52.241 -0.401 1
1 1302 . 1 1 1 A 111 111 ALA CB C 111 19.210 19.631 -0.421 1
1 1303 . 1 1 1 A 111 111 ALA N N 111 120.857 119.144 1.713 1
1 19 . 2 1 1 A 2 2 ALA H H 2 8.460 7.446 1.014 1
1 20 . 2 1 1 A 2 2 ALA HA H 2 4.304 4.662 -0.358 1
1 24 . 2 1 1 A 2 2 ALA C C 2 178.183 175.829 2.354 1
1 25 . 2 1 1 A 2 2 ALA CA C 2 52.760 51.939 0.821 1
1 26 . 2 1 1 A 2 2 ALA CB C 2 19.150 21.527 -2.377 1
1 27 . 2 1 1 A 2 2 ALA N N 2 125.375 117.754 7.621 1
1 28 . 2 1 1 A 3 3 GLY H H 3 8.343 8.367 -0.024 1
1 29 . 2 1 1 A 3 3 GLY N N 3 108.577 107.957 0.620 1
1 30 . 2 1 1 A 5 5 LYS HA H 5 4.355 4.544 -0.189 1
1 39 . 2 1 1 A 5 5 LYS CA C 5 56.170 57.096 -0.926 1
1 40 . 2 1 1 A 5 5 LYS CB C 5 33.170 34.687 -1.517 1
1 44 . 2 1 1 A 6 6 SER HA H 6 4.429 4.804 -0.375 1
1 47 . 2 1 1 A 6 6 SER CA C 6 58.390 59.885 -1.495 1
1 48 . 2 1 1 A 6 6 SER CB C 6 64.040 65.135 -1.095 1
1 49 . 2 1 1 A 7 7 MET HA H 7 4.435 4.687 -0.252 1
1 57 . 2 1 1 A 7 7 MET CA C 7 55.610 54.603 1.007 1
1 58 . 2 1 1 A 7 7 MET CB C 7 33.550 34.471 -0.921 1
1 61 . 2 1 1 A 8 8 ASN HA H 8 4.837 4.738 0.099 1
1 66 . 2 1 1 A 8 8 ASN C C 8 175.910 174.817 1.093 1
1 67 . 2 1 1 A 8 8 ASN CA C 8 52.310 52.430 -0.120 1
1 68 . 2 1 1 A 8 8 ASN CB C 8 38.190 36.358 1.832 1
1 70 . 2 1 1 A 9 9 VAL H H 9 8.400 8.043 0.357 1
1 71 . 2 1 1 A 9 9 VAL HA H 9 3.908 3.945 -0.037 1
1 79 . 2 1 1 A 9 9 VAL C C 9 176.738 177.794 -1.056 1
1 80 . 2 1 1 A 9 9 VAL CA C 9 65.550 66.523 -0.973 1
1 81 . 2 1 1 A 9 9 VAL CB C 9 31.970 31.344 0.626 1
1 84 . 2 1 1 A 9 9 VAL N N 9 121.216 123.144 -1.928 1
1 85 . 2 1 1 A 10 10 GLU H H 10 8.596 8.186 0.410 1
1 86 . 2 1 1 A 10 10 GLU HA H 10 4.077 3.954 0.123 1
1 91 . 2 1 1 A 10 10 GLU C C 10 178.985 178.912 0.073 1
1 92 . 2 1 1 A 10 10 GLU CA C 10 59.390 59.269 0.121 1
1 93 . 2 1 1 A 10 10 GLU CB C 10 29.000 29.224 -0.224 1
1 95 . 2 1 1 A 10 10 GLU N N 10 121.274 121.368 -0.094 1
1 96 . 2 1 1 A 11 11 SER H H 11 7.841 7.960 -0.119 1
1 97 . 2 1 1 A 11 11 SER HA H 11 4.138 4.068 0.070 1
1 100 . 2 1 1 A 11 11 SER C C 11 176.817 176.479 0.338 1
1 101 . 2 1 1 A 11 11 SER CA C 11 60.790 62.266 -1.476 1
1 102 . 2 1 1 A 11 11 SER CB C 11 62.470 63.089 -0.619 1
1 103 . 2 1 1 A 11 11 SER N N 11 115.238 116.873 -1.635 1
1 104 . 2 1 1 A 12 12 TYR H H 12 7.284 7.685 -0.401 1
1 105 . 2 1 1 A 12 12 TYR HA H 12 4.104 4.286 -0.182 1
1 112 . 2 1 1 A 12 12 TYR C C 12 177.132 178.032 -0.900 1
1 113 . 2 1 1 A 12 12 TYR CA C 12 62.060 61.752 0.308 1
1 114 . 2 1 1 A 12 12 TYR CB C 12 38.710 37.958 0.752 1
1 117 . 2 1 1 A 12 12 TYR N N 12 120.370 119.801 0.569 1
1 118 . 2 1 1 A 13 13 GLU H H 13 8.490 8.235 0.255 1
1 119 . 2 1 1 A 13 13 GLU HA H 13 3.432 3.913 -0.481 1
1 124 . 2 1 1 A 13 13 GLU C C 13 177.303 178.792 -1.489 1
1 125 . 2 1 1 A 13 13 GLU CA C 13 60.660 59.485 1.175 1
1 126 . 2 1 1 A 13 13 GLU CB C 13 29.200 28.794 0.406 1
1 128 . 2 1 1 A 13 13 GLU N N 13 120.162 120.389 -0.227 1
1 129 . 2 1 1 A 14 14 LYS H H 14 7.454 7.708 -0.254 1
1 130 . 2 1 1 A 14 14 LYS HA H 14 3.900 4.067 -0.167 1
1 139 . 2 1 1 A 14 14 LYS C C 14 178.249 178.747 -0.498 1
1 140 . 2 1 1 A 14 14 LYS CA C 14 59.620 59.015 0.605 1
1 141 . 2 1 1 A 14 14 LYS CB C 14 32.420 32.272 0.148 1
1 145 . 2 1 1 A 14 14 LYS N N 14 117.838 118.795 -0.957 1
1 146 . 2 1 1 A 15 15 ILE H H 15 7.409 7.607 -0.198 1
1 147 . 2 1 1 A 15 15 ILE HA H 15 3.822 4.142 -0.320 1
1 157 . 2 1 1 A 15 15 ILE C C 15 179.668 177.860 1.808 1
1 158 . 2 1 1 A 15 15 ILE CA C 15 65.030 63.119 1.911 1
1 159 . 2 1 1 A 15 15 ILE CB C 15 38.950 37.819 1.131 1
1 163 . 2 1 1 A 15 15 ILE N N 15 118.597 120.570 -1.973 1
1 164 . 2 1 1 A 16 16 LEU H H 16 8.407 8.258 0.149 1
1 165 . 2 1 1 A 16 16 LEU HA H 16 3.992 3.952 0.040 1
1 175 . 2 1 1 A 16 16 LEU C C 16 178.512 179.161 -0.649 1
1 176 . 2 1 1 A 16 16 LEU CA C 16 58.230 58.203 0.027 1
1 177 . 2 1 1 A 16 16 LEU CB C 16 42.130 41.192 0.938 1
1 181 . 2 1 1 A 16 16 LEU N N 16 120.642 121.175 -0.533 1
1 182 . 2 1 1 A 17 17 ARG H H 17 8.789 7.914 0.875 1
1 183 . 2 1 1 A 17 17 ARG HA H 17 3.917 4.096 -0.179 1
1 190 . 2 1 1 A 17 17 ARG C C 17 179.602 178.614 0.988 1
1 191 . 2 1 1 A 17 17 ARG CA C 17 60.080 59.272 0.808 1
1 192 . 2 1 1 A 17 17 ARG CB C 17 29.620 29.721 -0.101 1
1 195 . 2 1 1 A 17 17 ARG N N 17 119.196 119.004 0.192 1
1 196 . 2 1 1 A 18 18 ASP H H 18 8.638 8.251 0.387 1
1 197 . 2 1 1 A 18 18 ASP HA H 18 4.418 4.413 0.005 1
1 200 . 2 1 1 A 18 18 ASP C C 18 179.116 179.021 0.095 1
1 201 . 2 1 1 A 18 18 ASP CA C 18 57.330 57.105 0.225 1
1 202 . 2 1 1 A 18 18 ASP CB C 18 39.700 40.094 -0.394 1
1 203 . 2 1 1 A 18 18 ASP N N 18 121.383 120.068 1.315 1
1 204 . 2 1 1 A 19 19 ARG H H 19 7.947 7.865 0.082 1
1 205 . 2 1 1 A 19 19 ARG HA H 19 4.180 4.127 0.053 1
1 212 . 2 1 1 A 19 19 ARG C C 19 177.855 179.060 -1.205 1
1 213 . 2 1 1 A 19 19 ARG CA C 19 57.680 59.639 -1.959 1
1 214 . 2 1 1 A 19 19 ARG CB C 19 29.540 29.840 -0.300 1
1 217 . 2 1 1 A 19 19 ARG N N 19 121.506 119.245 2.261 1
1 218 . 2 1 1 A 20 20 GLN H H 20 8.691 8.273 0.418 1
1 219 . 2 1 1 A 20 20 GLN HA H 20 3.589 4.060 -0.471 1
1 226 . 2 1 1 A 20 20 GLN C C 20 176.896 178.195 -1.299 1
1 227 . 2 1 1 A 20 20 GLN CA C 20 59.620 58.672 0.948 1
1 228 . 2 1 1 A 20 20 GLN CB C 20 30.020 27.861 2.159 1
1 230 . 2 1 1 A 20 20 GLN N N 20 120.162 118.028 2.134 1
1 232 . 2 1 1 A 21 21 ARG H H 21 7.959 7.831 0.128 1
1 233 . 2 1 1 A 21 21 ARG HA H 21 3.973 4.152 -0.179 1
1 240 . 2 1 1 A 21 21 ARG C C 21 178.985 179.158 -0.173 1
1 241 . 2 1 1 A 21 21 ARG CA C 21 59.800 59.497 0.303 1
1 242 . 2 1 1 A 21 21 ARG CB C 21 29.980 30.285 -0.305 1
1 245 . 2 1 1 A 21 21 ARG N N 21 117.219 119.194 -1.975 1
1 246 . 2 1 1 A 22 22 GLU H H 22 7.700 7.995 -0.295 1
1 247 . 2 1 1 A 22 22 GLU HA H 22 4.076 4.099 -0.023 1
1 252 . 2 1 1 A 22 22 GLU C C 22 179.090 179.079 0.011 1
1 253 . 2 1 1 A 22 22 GLU CA C 22 58.950 59.066 -0.116 1
1 254 . 2 1 1 A 22 22 GLU CB C 22 29.580 29.346 0.234 1
1 256 . 2 1 1 A 22 22 GLU N N 22 119.703 118.451 1.252 1
1 257 . 2 1 1 A 23 23 LEU H H 23 8.264 7.796 0.468 1
1 258 . 2 1 1 A 23 23 LEU HA H 23 3.979 4.192 -0.213 1
1 268 . 2 1 1 A 23 23 LEU C C 23 179.234 178.955 0.279 1
1 269 . 2 1 1 A 23 23 LEU CA C 23 57.990 57.486 0.504 1
1 270 . 2 1 1 A 23 23 LEU CB C 23 42.370 42.086 0.284 1
1 274 . 2 1 1 A 23 23 LEU N N 23 119.988 121.409 -1.421 1
1 275 . 2 1 1 A 24 24 TYR H H 24 8.688 8.436 0.252 1
1 276 . 2 1 1 A 24 24 TYR HA H 24 4.084 4.083 0.001 1
1 283 . 2 1 1 A 24 24 TYR C C 24 178.630 178.349 0.281 1
1 284 . 2 1 1 A 24 24 TYR CA C 24 61.670 61.910 -0.240 1
1 285 . 2 1 1 A 24 24 TYR CB C 24 37.780 38.608 -0.828 1
1 288 . 2 1 1 A 24 24 TYR N N 24 119.101 119.948 -0.847 1
1 289 . 2 1 1 A 25 25 ARG H H 25 7.945 8.246 -0.301 1
1 290 . 2 1 1 A 25 25 ARG HA H 25 4.043 4.035 0.008 1
1 297 . 2 1 1 A 25 25 ARG C C 25 178.683 178.529 0.154 1
1 298 . 2 1 1 A 25 25 ARG CA C 25 59.460 58.863 0.597 1
1 299 . 2 1 1 A 25 25 ARG CB C 25 30.160 29.866 0.294 1
1 302 . 2 1 1 A 25 25 ARG N N 25 118.297 119.303 -1.006 1
1 303 . 2 1 1 A 26 26 ARG H H 26 7.726 7.681 0.045 1
1 304 . 2 1 1 A 26 26 ARG HA H 26 4.067 4.394 -0.327 1
1 311 . 2 1 1 A 26 26 ARG C C 26 177.986 179.048 -1.062 1
1 312 . 2 1 1 A 26 26 ARG CA C 26 58.300 59.181 -0.881 1
1 313 . 2 1 1 A 26 26 ARG CB C 26 30.670 30.041 0.629 1
1 316 . 2 1 1 A 26 26 ARG N N 26 118.100 119.805 -1.705 1
1 317 . 2 1 1 A 27 27 LEU H H 27 7.971 7.887 0.084 1
1 318 . 2 1 1 A 27 27 LEU HA H 27 4.095 4.184 -0.089 1
1 328 . 2 1 1 A 27 27 LEU C C 27 177.461 177.668 -0.207 1
1 329 . 2 1 1 A 27 27 LEU CA C 27 56.260 57.335 -1.075 1
1 330 . 2 1 1 A 27 27 LEU CB C 27 42.260 41.460 0.800 1
1 334 . 2 1 1 A 27 27 LEU N N 27 118.633 117.053 1.580 1
1 335 . 2 1 1 A 28 28 HIS H H 28 7.863 8.127 -0.264 1
1 336 . 2 1 1 A 28 28 HIS HA H 28 4.482 4.761 -0.279 1
1 341 . 2 1 1 A 28 28 HIS C C 28 174.741 175.922 -1.181 1
1 342 . 2 1 1 A 28 28 HIS CA C 28 56.310 54.609 1.701 1
1 343 . 2 1 1 A 28 28 HIS CB C 28 29.300 27.992 1.308 1
1 346 . 2 1 1 A 28 28 HIS N N 28 116.767 117.321 -0.554 1
1 347 . 2 1 1 A 29 29 LYS H H 29 7.893 7.842 0.051 1
1 348 . 2 1 1 A 29 29 LYS HA H 29 4.172 4.218 -0.046 1
1 357 . 2 1 1 A 29 29 LYS C C 29 176.357 178.143 -1.786 1
1 358 . 2 1 1 A 29 29 LYS CA C 29 56.830 58.730 -1.900 1
1 359 . 2 1 1 A 29 29 LYS CB C 29 32.000 31.554 0.446 1
1 363 . 2 1 1 A 29 29 LYS N N 29 120.331 118.578 1.753 1
1 364 . 2 1 1 A 30 30 ILE H H 30 7.995 7.533 0.462 1
1 365 . 2 1 1 A 30 30 ILE HA H 30 4.085 3.822 0.263 1
1 375 . 2 1 1 A 30 30 ILE C C 30 176.344 177.388 -1.044 1
1 376 . 2 1 1 A 30 30 ILE CA C 30 61.440 64.279 -2.839 1
1 377 . 2 1 1 A 30 30 ILE CB C 30 39.020 37.454 1.566 1
1 381 . 2 1 1 A 30 30 ILE N N 30 120.440 117.432 3.008 1
1 382 . 2 1 1 A 31 31 GLU H H 31 8.367 7.871 0.496 1
1 383 . 2 1 1 A 31 31 GLU HA H 31 4.159 4.418 -0.259 1
1 388 . 2 1 1 A 31 31 GLU C C 31 176.265 176.166 0.099 1
1 389 . 2 1 1 A 31 31 GLU CA C 31 56.890 56.971 -0.081 1
1 390 . 2 1 1 A 31 31 GLU CB C 31 30.050 30.714 -0.664 1
1 392 . 2 1 1 A 31 31 GLU N N 31 124.043 120.058 3.985 1
1 393 . 2 1 1 A 32 32 ALA H H 32 8.138 7.681 0.457 1
1 394 . 2 1 1 A 32 32 ALA HA H 32 4.175 4.555 -0.380 1
1 398 . 2 1 1 A 32 32 ALA C C 32 177.198 175.401 1.797 1
1 399 . 2 1 1 A 32 32 ALA CA C 32 52.620 50.574 2.046 1
1 400 . 2 1 1 A 32 32 ALA CB C 32 19.490 19.494 -0.004 1
1 401 . 2 1 1 A 32 32 ALA N N 32 124.170 122.053 2.117 1
1 402 . 2 1 1 A 33 33 ASP H H 33 8.157 8.883 -0.726 1
1 403 . 2 1 1 A 33 33 ASP HA H 33 4.467 4.674 -0.207 1
1 406 . 2 1 1 A 33 33 ASP C C 33 175.910 175.972 -0.062 1
1 407 . 2 1 1 A 33 33 ASP CA C 33 54.500 54.373 0.127 1
1 408 . 2 1 1 A 33 33 ASP CB C 33 40.750 41.384 -0.634 1
1 409 . 2 1 1 A 33 33 ASP N N 33 118.904 125.128 -6.224 1
1 410 . 2 1 1 A 34 34 PHE H H 34 7.884 8.638 -0.754 1
1 411 . 2 1 1 A 34 34 PHE HA H 34 4.514 4.602 -0.088 1
1 418 . 2 1 1 A 34 34 PHE C C 34 175.319 175.763 -0.444 1
1 419 . 2 1 1 A 34 34 PHE CA C 34 57.610 57.473 0.137 1
1 420 . 2 1 1 A 34 34 PHE CB C 34 39.840 37.761 2.079 1
1 423 . 2 1 1 A 34 34 PHE N N 34 119.439 123.747 -4.308 1
1 424 . 2 1 1 A 35 35 GLU H H 35 8.084 8.525 -0.441 1
1 425 . 2 1 1 A 35 35 GLU HA H 35 4.190 4.532 -0.342 1
1 430 . 2 1 1 A 35 35 GLU C C 35 175.634 176.585 -0.951 1
1 431 . 2 1 1 A 35 35 GLU CA C 35 56.140 56.837 -0.697 1
1 432 . 2 1 1 A 35 35 GLU CB C 35 30.810 30.518 0.292 1
1 434 . 2 1 1 A 35 35 GLU N N 35 122.340 123.613 -1.273 1
1 435 . 2 1 1 A 36 36 GLU H H 36 8.172 7.621 0.551 1
1 436 . 2 1 1 A 36 36 GLU HA H 36 4.442 4.558 -0.116 1
1 441 . 2 1 1 A 36 36 GLU CA C 36 54.300 54.494 -0.194 1
1 442 . 2 1 1 A 36 36 GLU CB C 36 29.490 29.370 0.120 1
1 444 . 2 1 1 A 36 36 GLU N N 36 123.278 120.176 3.102 1
1 445 . 2 1 1 A 37 37 PRO HA H 37 4.339 4.585 -0.246 1
1 452 . 2 1 1 A 37 37 PRO C C 37 175.818 176.882 -1.064 1
1 453 . 2 1 1 A 37 37 PRO CA C 37 62.800 62.735 0.065 1
1 454 . 2 1 1 A 37 37 PRO CB C 37 31.900 32.871 -0.971 1
1 457 . 2 1 1 A 38 38 ARG H H 38 8.412 8.920 -0.508 1
1 458 . 2 1 1 A 38 38 ARG HA H 38 4.255 4.070 0.185 1
1 465 . 2 1 1 A 38 38 ARG C C 38 175.818 176.872 -1.054 1
1 466 . 2 1 1 A 38 38 ARG CA C 38 55.350 58.151 -2.801 1
1 467 . 2 1 1 A 38 38 ARG CB C 38 31.010 30.265 0.745 1
1 470 . 2 1 1 A 38 38 ARG N N 38 121.791 120.790 1.001 1
1 471 . 2 1 1 A 39 39 ASN H H 39 8.624 7.758 0.866 1
1 472 . 2 1 1 A 39 39 ASN HA H 39 4.906 4.848 0.058 1
1 477 . 2 1 1 A 39 39 ASN CA C 39 51.100 52.055 -0.955 1
1 478 . 2 1 1 A 39 39 ASN CB C 39 38.560 37.588 0.972 1
1 479 . 2 1 1 A 39 39 ASN N N 39 121.594 119.237 2.357 1
1 481 . 2 1 1 A 40 40 PRO HA H 40 4.310 4.641 -0.331 1
1 488 . 2 1 1 A 40 40 PRO C C 40 176.896 175.405 1.491 1
1 489 . 2 1 1 A 40 40 PRO CA C 40 63.970 62.239 1.731 1
1 490 . 2 1 1 A 40 40 PRO CB C 40 32.210 29.271 2.939 1
1 493 . 2 1 1 A 41 41 ASP H H 41 8.219 8.780 -0.561 1
1 494 . 2 1 1 A 41 41 ASP HA H 41 4.516 4.961 -0.445 1
1 497 . 2 1 1 A 41 41 ASP C C 41 176.252 175.802 0.450 1
1 498 . 2 1 1 A 41 41 ASP CA C 41 54.740 53.071 1.669 1
1 499 . 2 1 1 A 41 41 ASP CB C 41 41.100 41.426 -0.326 1
1 500 . 2 1 1 A 41 41 ASP N N 41 118.818 124.214 -5.396 1
1 501 . 2 1 1 A 42 42 ASP H H 42 7.949 7.773 0.176 1
1 502 . 2 1 1 A 42 42 ASP HA H 42 4.516 4.857 -0.341 1
1 505 . 2 1 1 A 42 42 ASP C C 42 176.567 175.721 0.846 1
1 506 . 2 1 1 A 42 42 ASP CA C 42 54.910 53.091 1.819 1
1 507 . 2 1 1 A 42 42 ASP CB C 42 41.100 38.706 2.394 1
1 508 . 2 1 1 A 42 42 ASP N N 42 120.104 122.073 -1.969 1
1 509 . 2 1 1 A 43 43 GLU H H 43 8.179 8.637 -0.458 1
1 510 . 2 1 1 A 43 43 GLU HA H 43 4.153 4.390 -0.237 1
1 515 . 2 1 1 A 43 43 GLU C C 43 176.488 176.292 0.196 1
1 516 . 2 1 1 A 43 43 GLU CA C 43 57.070 58.348 -1.278 1
1 517 . 2 1 1 A 43 43 GLU CB C 43 30.430 30.860 -0.430 1
1 519 . 2 1 1 A 43 43 GLU N N 43 121.153 124.686 -3.533 1
1 520 . 2 1 1 A 44 44 ASP H H 44 8.325 7.823 0.502 1
1 521 . 2 1 1 A 44 44 ASP HA H 44 4.517 4.932 -0.415 1
1 524 . 2 1 1 A 44 44 ASP C C 44 176.462 173.712 2.750 1
1 525 . 2 1 1 A 44 44 ASP CA C 44 54.360 54.041 0.319 1
1 526 . 2 1 1 A 44 44 ASP CB C 44 41.030 44.157 -3.127 1
1 527 . 2 1 1 A 44 44 ASP N N 44 121.100 117.045 4.055 1
1 528 . 2 1 1 A 45 45 ARG H H 45 8.106 8.808 -0.702 1
1 529 . 2 1 1 A 45 45 ARG HA H 45 4.252 4.736 -0.484 1
1 536 . 2 1 1 A 45 45 ARG C C 45 176.475 175.811 0.664 1
1 537 . 2 1 1 A 45 45 ARG CA C 45 56.000 54.901 1.099 1
1 538 . 2 1 1 A 45 45 ARG CB C 45 30.360 32.512 -2.152 1
1 541 . 2 1 1 A 45 45 ARG N N 45 121.258 126.018 -4.760 1
1 542 . 2 1 1 A 46 46 ALA H H 46 8.235 8.769 -0.534 1
1 543 . 2 1 1 A 46 46 ALA HA H 46 4.220 3.887 0.333 1
1 547 . 2 1 1 A 46 46 ALA C C 46 178.196 178.039 0.157 1
1 548 . 2 1 1 A 46 46 ALA CA C 46 53.070 54.811 -1.741 1
1 549 . 2 1 1 A 46 46 ALA CB C 46 18.840 18.739 0.101 1
1 550 . 2 1 1 A 46 46 ALA N N 46 124.506 129.388 -4.882 1
1 551 . 2 1 1 A 47 47 SER H H 47 8.150 8.124 0.026 1
1 552 . 2 1 1 A 47 47 SER HA H 47 4.331 4.040 0.291 1
1 555 . 2 1 1 A 47 47 SER C C 47 174.727 174.597 0.130 1
1 556 . 2 1 1 A 47 47 SER CA C 47 58.820 59.054 -0.234 1
1 557 . 2 1 1 A 47 47 SER CB C 47 63.520 60.736 2.784 1
1 558 . 2 1 1 A 47 47 SER N N 47 114.398 112.969 1.429 1
1 559 . 2 1 1 A 48 48 GLU H H 48 8.235 7.998 0.237 1
1 560 . 2 1 1 A 48 48 GLU HA H 48 4.244 4.073 0.171 1
1 565 . 2 1 1 A 48 48 GLU C C 48 176.396 176.103 0.293 1
1 566 . 2 1 1 A 48 48 GLU CA C 48 56.550 58.675 -2.125 1
1 567 . 2 1 1 A 48 48 GLU CB C 48 30.330 30.306 0.024 1
1 569 . 2 1 1 A 48 48 GLU N N 48 122.340 122.216 0.124 1
1 570 . 2 1 1 A 49 49 ARG H H 49 8.174 7.881 0.293 1
1 571 . 2 1 1 A 49 49 ARG HA H 49 4.339 4.481 -0.142 1
1 578 . 2 1 1 A 49 49 ARG C C 49 176.344 174.543 1.801 1
1 579 . 2 1 1 A 49 49 ARG CA C 49 55.900 58.255 -2.355 1
1 580 . 2 1 1 A 49 49 ARG CB C 49 30.980 29.153 1.827 1
1 583 . 2 1 1 A 49 49 ARG N N 49 121.431 118.112 3.319 1
1 584 . 2 1 1 A 50 50 SER H H 50 8.389 8.276 0.113 1
1 585 . 2 1 1 A 50 50 SER HA H 50 4.392 4.676 -0.284 1
1 588 . 2 1 1 A 50 50 SER C C 50 174.517 171.992 2.525 1
1 589 . 2 1 1 A 50 50 SER CA C 50 58.230 58.077 0.153 1
1 590 . 2 1 1 A 50 50 SER CB C 50 64.010 63.636 0.374 1
1 591 . 2 1 1 A 50 50 SER N N 50 117.321 116.634 0.687 1
1 592 . 2 1 1 A 51 51 ASN H H 51 8.488 8.483 0.005 1
1 593 . 2 1 1 A 51 51 ASN HA H 51 4.657 4.787 -0.130 1
1 598 . 2 1 1 A 51 51 ASN C C 51 175.122 174.371 0.751 1
1 599 . 2 1 1 A 51 51 ASN CA C 51 53.780 53.526 0.254 1
1 600 . 2 1 1 A 51 51 ASN CB C 51 38.770 39.121 -0.351 1
1 601 . 2 1 1 A 51 51 ASN N N 51 120.903 121.528 -0.625 1
1 603 . 2 1 1 A 52 52 ASP H H 52 8.231 9.087 -0.856 1
1 604 . 2 1 1 A 52 52 ASP HA H 52 4.517 5.330 -0.813 1
1 607 . 2 1 1 A 52 52 ASP C C 52 176.291 174.206 2.085 1
1 608 . 2 1 1 A 52 52 ASP CA C 52 54.500 52.816 1.684 1
1 609 . 2 1 1 A 52 52 ASP CB C 52 41.170 41.591 -0.421 1
1 610 . 2 1 1 A 52 52 ASP N N 52 120.236 127.800 -7.564 1
1 611 . 2 1 1 A 53 53 GLU H H 53 8.139 8.407 -0.268 1
1 612 . 2 1 1 A 53 53 GLU HA H 53 4.194 4.739 -0.545 1
1 617 . 2 1 1 A 53 53 GLU C C 53 176.606 177.169 -0.563 1
1 618 . 2 1 1 A 53 53 GLU CA C 53 56.930 54.646 2.284 1
1 619 . 2 1 1 A 53 53 GLU CB C 53 30.500 32.452 -1.952 1
1 621 . 2 1 1 A 53 53 GLU N N 53 120.655 125.761 -5.106 1
1 622 . 2 1 1 A 54 54 VAL H H 54 8.061 8.854 -0.793 1
1 623 . 2 1 1 A 54 54 VAL HA H 54 3.978 3.654 0.324 1
1 631 . 2 1 1 A 54 54 VAL C C 54 176.278 176.256 0.022 1
1 632 . 2 1 1 A 54 54 VAL CA C 54 62.880 66.541 -3.661 1
1 633 . 2 1 1 A 54 54 VAL CB C 54 32.660 31.667 0.993 1
1 636 . 2 1 1 A 54 54 VAL N N 54 121.320 120.857 0.463 1
1 637 . 2 1 1 A 55 55 LEU H H 55 8.209 7.779 0.430 1
1 638 . 2 1 1 A 55 55 LEU HA H 55 4.273 4.088 0.185 1
1 648 . 2 1 1 A 55 55 LEU C C 55 177.355 176.842 0.513 1
1 649 . 2 1 1 A 55 55 LEU CA C 55 55.290 55.768 -0.478 1
1 650 . 2 1 1 A 55 55 LEU CB C 55 42.190 40.784 1.406 1
1 654 . 2 1 1 A 55 55 LEU N N 55 125.139 119.393 5.746 1
1 655 . 2 1 1 A 56 56 ASP H H 56 8.204 8.661 -0.457 1
1 656 . 2 1 1 A 56 56 ASP HA H 56 4.516 4.403 0.113 1
1 659 . 2 1 1 A 56 56 ASP C C 56 176.633 178.017 -1.384 1
1 660 . 2 1 1 A 56 56 ASP CA C 56 54.360 56.764 -2.404 1
1 661 . 2 1 1 A 56 56 ASP CB C 56 41.070 40.391 0.679 1
1 662 . 2 1 1 A 56 56 ASP N N 56 121.154 122.777 -1.623 1
1 663 . 2 1 1 A 57 57 GLU H H 57 8.316 7.980 0.336 1
1 664 . 2 1 1 A 57 57 GLU HA H 57 4.164 4.262 -0.098 1
1 669 . 2 1 1 A 57 57 GLU C C 57 177.158 177.752 -0.594 1
1 670 . 2 1 1 A 57 57 GLU CA C 57 57.650 58.624 -0.974 1
1 671 . 2 1 1 A 57 57 GLU CB C 57 30.020 29.680 0.340 1
1 673 . 2 1 1 A 57 57 GLU N N 57 120.771 117.406 3.365 1
1 674 . 2 1 1 A 58 58 LEU H H 58 8.204 7.376 0.828 1
1 675 . 2 1 1 A 58 58 LEU HA H 58 4.231 4.315 -0.084 1
1 685 . 2 1 1 A 58 58 LEU C C 58 178.538 177.247 1.291 1
1 686 . 2 1 1 A 58 58 LEU CA C 58 55.690 54.400 1.290 1
1 687 . 2 1 1 A 58 58 LEU CB C 58 42.230 42.242 -0.012 1
1 691 . 2 1 1 A 58 58 LEU N N 58 120.716 120.171 0.545 1
1 692 . 2 1 1 A 59 59 GLY H H 59 8.212 8.494 -0.282 1
1 693 . 2 1 1 A 59 59 GLY HA2 H 59 3.917 4.064 -0.147 1
1 694 . 2 1 1 A 59 59 GLY HA3 H 59 3.917 4.069 -0.152 1
1 695 . 2 1 1 A 59 59 GLY C C 59 174.294 174.871 -0.577 1
1 696 . 2 1 1 A 59 59 GLY CA C 59 45.550 45.185 0.365 1
1 697 . 2 1 1 A 59 59 GLY N N 59 108.670 109.320 -0.650 1
1 698 . 2 1 1 A 60 60 GLN H H 60 8.310 8.603 -0.293 1
1 699 . 2 1 1 A 60 60 GLN HA H 60 4.079 3.807 0.272 1
1 706 . 2 1 1 A 60 60 GLN C C 60 177.171 178.153 -0.982 1
1 707 . 2 1 1 A 60 60 GLN CA C 60 57.590 58.783 -1.193 1
1 708 . 2 1 1 A 60 60 GLN CB C 60 28.960 28.515 0.445 1
1 710 . 2 1 1 A 60 60 GLN N N 60 120.662 121.308 -0.646 1
1 712 . 2 1 1 A 61 61 VAL H H 61 8.136 8.200 -0.064 1
1 713 . 2 1 1 A 61 61 VAL HA H 61 3.971 3.748 0.223 1
1 721 . 2 1 1 A 61 61 VAL C C 61 178.262 178.110 0.152 1
1 722 . 2 1 1 A 61 61 VAL CA C 61 64.420 65.932 -1.512 1
1 723 . 2 1 1 A 61 61 VAL CB C 61 32.110 31.051 1.059 1
1 726 . 2 1 1 A 61 61 VAL N N 61 119.154 120.385 -1.231 1
1 727 . 2 1 1 A 62 62 GLY H H 62 8.183 8.371 -0.188 1
1 728 . 2 1 1 A 62 62 GLY HA2 H 62 3.966 3.739 0.227 1
1 729 . 2 1 1 A 62 62 GLY HA3 H 62 3.783 3.741 0.042 1
1 730 . 2 1 1 A 62 62 GLY C C 62 174.872 175.863 -0.991 1
1 731 . 2 1 1 A 62 62 GLY CA C 62 46.780 47.300 -0.520 1
1 732 . 2 1 1 A 62 62 GLY N N 62 110.813 108.676 2.137 1
1 733 . 2 1 1 A 63 63 GLN H H 63 8.235 7.904 0.331 1
1 734 . 2 1 1 A 63 63 GLN HA H 63 3.966 4.004 -0.038 1
1 741 . 2 1 1 A 63 63 GLN C C 63 178.170 178.027 0.143 1
1 742 . 2 1 1 A 63 63 GLN CA C 63 58.990 58.828 0.162 1
1 743 . 2 1 1 A 63 63 GLN CB C 63 28.500 28.414 0.086 1
1 745 . 2 1 1 A 63 63 GLN N N 63 120.667 121.978 -1.311 1
1 747 . 2 1 1 A 64 64 ASP H H 64 8.386 8.338 0.048 1
1 748 . 2 1 1 A 64 64 ASP HA H 64 4.347 4.445 -0.098 1
1 751 . 2 1 1 A 64 64 ASP C C 64 178.669 178.619 0.050 1
1 752 . 2 1 1 A 64 64 ASP CA C 64 56.860 56.868 -0.008 1
1 753 . 2 1 1 A 64 64 ASP CB C 64 39.970 40.020 -0.050 1
1 754 . 2 1 1 A 64 64 ASP N N 64 120.058 120.164 -0.106 1
1 755 . 2 1 1 A 65 65 GLU H H 65 7.992 7.879 0.113 1
1 756 . 2 1 1 A 65 65 GLU HA H 65 3.542 4.136 -0.594 1
1 761 . 2 1 1 A 65 65 GLU C C 65 177.842 179.027 -1.185 1
1 762 . 2 1 1 A 65 65 GLU CA C 65 59.560 58.835 0.725 1
1 763 . 2 1 1 A 65 65 GLU CB C 65 29.100 29.382 -0.282 1
1 765 . 2 1 1 A 65 65 GLU N N 65 123.846 119.666 4.180 1
1 766 . 2 1 1 A 66 66 LEU H H 66 8.100 8.687 -0.587 1
1 767 . 2 1 1 A 66 66 LEU HA H 66 3.783 3.977 -0.194 1
1 777 . 2 1 1 A 66 66 LEU C C 66 178.893 179.293 -0.400 1
1 778 . 2 1 1 A 66 66 LEU CA C 66 58.610 57.911 0.699 1
1 779 . 2 1 1 A 66 66 LEU CB C 66 41.510 40.955 0.555 1
1 783 . 2 1 1 A 66 66 LEU N N 66 119.444 120.174 -0.730 1
1 784 . 2 1 1 A 67 67 ARG H H 67 7.870 7.987 -0.117 1
1 785 . 2 1 1 A 67 67 ARG HA H 67 4.095 3.990 0.105 1
1 792 . 2 1 1 A 67 67 ARG C C 67 179.484 177.946 1.538 1
1 793 . 2 1 1 A 67 67 ARG CA C 67 59.490 59.501 -0.011 1
1 794 . 2 1 1 A 67 67 ARG CB C 67 30.230 29.938 0.292 1
1 797 . 2 1 1 A 67 67 ARG N N 67 118.088 121.391 -3.303 1
1 798 . 2 1 1 A 68 68 ALA H H 68 7.820 7.743 0.077 1
1 799 . 2 1 1 A 68 68 ALA HA H 68 4.188 4.063 0.125 1
1 803 . 2 1 1 A 68 68 ALA C C 68 181.626 180.454 1.172 1
1 804 . 2 1 1 A 68 68 ALA CA C 68 54.840 55.068 -0.228 1
1 805 . 2 1 1 A 68 68 ALA CB C 68 18.400 18.561 -0.161 1
1 806 . 2 1 1 A 68 68 ALA N N 68 123.318 121.441 1.877 1
1 807 . 2 1 1 A 69 69 ILE H H 69 8.643 7.871 0.772 1
1 808 . 2 1 1 A 69 69 ILE HA H 69 3.539 3.675 -0.136 1
1 818 . 2 1 1 A 69 69 ILE C C 69 177.290 177.489 -0.199 1
1 819 . 2 1 1 A 69 69 ILE CA C 69 66.370 65.302 1.068 1
1 820 . 2 1 1 A 69 69 ILE CB C 69 38.090 37.987 0.103 1
1 824 . 2 1 1 A 69 69 ILE N N 69 122.954 119.120 3.834 1
1 825 . 2 1 1 A 70 70 ASP H H 70 8.415 8.361 0.054 1
1 826 . 2 1 1 A 70 70 ASP HA H 70 4.336 4.406 -0.070 1
1 829 . 2 1 1 A 70 70 ASP C C 70 179.786 178.138 1.648 1
1 830 . 2 1 1 A 70 70 ASP CA C 70 58.130 57.815 0.315 1
1 831 . 2 1 1 A 70 70 ASP CB C 70 40.310 41.617 -1.307 1
1 832 . 2 1 1 A 70 70 ASP N N 70 121.571 121.083 0.488 1
1 833 . 2 1 1 A 71 71 ALA H H 71 7.869 8.068 -0.199 1
1 834 . 2 1 1 A 71 71 ALA HA H 71 4.215 4.162 0.053 1
1 838 . 2 1 1 A 71 71 ALA C C 71 180.246 179.598 0.648 1
1 839 . 2 1 1 A 71 71 ALA CA C 71 54.500 54.822 -0.322 1
1 840 . 2 1 1 A 71 71 ALA CB C 71 17.680 18.094 -0.414 1
1 841 . 2 1 1 A 71 71 ALA N N 71 121.459 120.930 0.529 1
1 842 . 2 1 1 A 72 72 ALA H H 72 8.263 7.813 0.450 1
1 843 . 2 1 1 A 72 72 ALA HA H 72 4.045 4.281 -0.236 1
1 847 . 2 1 1 A 72 72 ALA C C 72 179.668 180.044 -0.376 1
1 848 . 2 1 1 A 72 72 ALA CA C 72 55.560 55.244 0.316 1
1 849 . 2 1 1 A 72 72 ALA CB C 72 19.870 18.594 1.276 1
1 850 . 2 1 1 A 72 72 ALA N N 72 123.378 121.044 2.334 1
1 851 . 2 1 1 A 73 73 LEU H H 73 8.790 8.359 0.431 1
1 852 . 2 1 1 A 73 73 LEU HA H 73 3.920 3.956 -0.036 1
1 862 . 2 1 1 A 73 73 LEU C C 73 180.286 179.037 1.249 1
1 863 . 2 1 1 A 73 73 LEU CA C 73 58.130 58.054 0.076 1
1 864 . 2 1 1 A 73 73 LEU CB C 73 41.200 41.067 0.133 1
1 868 . 2 1 1 A 73 73 LEU N N 73 119.015 118.300 0.715 1
1 869 . 2 1 1 A 74 74 ALA H H 74 7.931 8.388 -0.457 1
1 870 . 2 1 1 A 74 74 ALA HA H 74 4.273 4.040 0.233 1
1 874 . 2 1 1 A 74 74 ALA C C 74 180.811 179.630 1.181 1
1 875 . 2 1 1 A 74 74 ALA CA C 74 54.960 55.523 -0.563 1
1 876 . 2 1 1 A 74 74 ALA CB C 74 17.690 18.515 -0.825 1
1 877 . 2 1 1 A 74 74 ALA N N 74 124.135 121.998 2.137 1
1 878 . 2 1 1 A 75 75 ARG H H 75 7.898 7.737 0.161 1
1 879 . 2 1 1 A 75 75 ARG HA H 75 4.138 4.111 0.027 1
1 886 . 2 1 1 A 75 75 ARG C C 75 179.721 178.923 0.798 1
1 887 . 2 1 1 A 75 75 ARG CA C 75 60.170 58.657 1.513 1
1 888 . 2 1 1 A 75 75 ARG CB C 75 29.970 30.003 -0.033 1
1 891 . 2 1 1 A 75 75 ARG N N 75 120.143 117.670 2.473 1
1 892 . 2 1 1 A 76 76 ILE H H 76 8.061 7.980 0.081 1
1 893 . 2 1 1 A 76 76 ILE HA H 76 3.697 3.758 -0.061 1
1 903 . 2 1 1 A 76 76 ILE C C 76 179.392 177.742 1.650 1
1 904 . 2 1 1 A 76 76 ILE CA C 76 66.060 65.691 0.369 1
1 905 . 2 1 1 A 76 76 ILE CB C 76 37.240 37.943 -0.703 1
1 909 . 2 1 1 A 76 76 ILE N N 76 121.537 121.506 0.031 1
1 910 . 2 1 1 A 77 77 ALA H H 77 7.735 8.440 -0.705 1
1 911 . 2 1 1 A 77 77 ALA HA H 77 4.132 4.095 0.037 1
1 915 . 2 1 1 A 77 77 ALA C C 77 179.326 180.332 -1.006 1
1 916 . 2 1 1 A 77 77 ALA CA C 77 54.910 55.263 -0.353 1
1 917 . 2 1 1 A 77 77 ALA CB C 77 17.950 18.187 -0.237 1
1 918 . 2 1 1 A 77 77 ALA N N 77 122.664 122.609 0.055 1
1 919 . 2 1 1 A 78 78 SER H H 78 7.999 7.651 0.348 1
1 920 . 2 1 1 A 78 78 SER HA H 78 4.472 4.519 -0.047 1
1 923 . 2 1 1 A 78 78 SER C C 78 174.675 174.777 -0.102 1
1 924 . 2 1 1 A 78 78 SER CA C 78 59.260 58.528 0.732 1
1 925 . 2 1 1 A 78 78 SER CB C 78 64.070 63.712 0.358 1
1 926 . 2 1 1 A 78 78 SER N N 78 111.061 110.701 0.360 1
1 927 . 2 1 1 A 79 79 GLY H H 79 7.844 7.660 0.184 1
1 928 . 2 1 1 A 79 79 GLY HA2 H 79 4.233 3.976 0.257 1
1 929 . 2 1 1 A 79 79 GLY HA3 H 79 4.087 3.994 0.093 1
1 930 . 2 1 1 A 79 79 GLY C C 79 175.687 174.198 1.489 1
1 931 . 2 1 1 A 79 79 GLY CA C 79 46.470 45.846 0.624 1
1 932 . 2 1 1 A 79 79 GLY N N 79 109.909 109.085 0.824 1
1 933 . 2 1 1 A 80 80 THR H H 80 8.408 7.872 0.536 1
1 934 . 2 1 1 A 80 80 THR HA H 80 4.504 4.490 0.014 1
1 939 . 2 1 1 A 80 80 THR C C 80 174.793 174.281 0.512 1
1 940 . 2 1 1 A 80 80 THR CA C 80 60.280 61.455 -1.175 1
1 941 . 2 1 1 A 80 80 THR CB C 80 69.000 68.998 0.002 1
1 943 . 2 1 1 A 80 80 THR N N 80 109.416 115.871 -6.455 1
1 944 . 2 1 1 A 81 81 PHE H H 81 7.610 7.465 0.145 1
1 945 . 2 1 1 A 81 81 PHE HA H 81 3.944 4.245 -0.301 1
1 950 . 2 1 1 A 81 81 PHE C C 81 176.462 176.931 -0.469 1
1 951 . 2 1 1 A 81 81 PHE CA C 81 59.940 60.031 -0.091 1
1 952 . 2 1 1 A 81 81 PHE CB C 81 39.700 38.685 1.015 1
1 954 . 2 1 1 A 81 81 PHE N N 81 123.672 123.496 0.176 1
1 955 . 2 1 1 A 82 82 GLY H H 82 8.827 8.270 0.557 1
1 956 . 2 1 1 A 82 82 GLY HA2 H 82 4.000 3.449 0.551 1
1 957 . 2 1 1 A 82 82 GLY HA3 H 82 2.606 3.677 -1.071 1
1 958 . 2 1 1 A 82 82 GLY C C 82 172.388 173.744 -1.356 1
1 959 . 2 1 1 A 82 82 GLY CA C 82 44.590 45.676 -1.086 1
1 960 . 2 1 1 A 82 82 GLY N N 82 115.493 114.126 1.367 1
1 961 . 2 1 1 A 83 83 THR H H 83 7.265 7.570 -0.305 1
1 962 . 2 1 1 A 83 83 THR HA H 83 4.418 4.383 0.035 1
1 967 . 2 1 1 A 83 83 THR C C 83 173.808 173.420 0.388 1
1 968 . 2 1 1 A 83 83 THR CA C 83 61.180 61.583 -0.403 1
1 969 . 2 1 1 A 83 83 THR CB C 83 70.020 69.367 0.653 1
1 971 . 2 1 1 A 83 83 THR N N 83 115.366 115.196 0.170 1
1 972 . 2 1 1 A 84 84 CYS H H 84 9.410 8.693 0.717 1
1 973 . 2 1 1 A 84 84 CYS HA H 84 4.339 4.830 -0.491 1
1 976 . 2 1 1 A 84 84 CYS C C 84 177.986 175.520 2.466 1
1 977 . 2 1 1 A 84 84 CYS CA C 84 60.080 58.545 1.535 1
1 978 . 2 1 1 A 84 84 CYS CB C 84 30.630 27.469 3.161 1
1 979 . 2 1 1 A 84 84 CYS N N 84 131.144 125.991 5.153 1
1 980 . 2 1 1 A 85 85 VAL H H 85 8.461 7.938 0.523 1
1 981 . 2 1 1 A 85 85 VAL HA H 85 3.918 3.732 0.186 1
1 989 . 2 1 1 A 85 85 VAL C C 85 175.608 177.476 -1.868 1
1 990 . 2 1 1 A 85 85 VAL CA C 85 64.080 64.992 -0.912 1
1 991 . 2 1 1 A 85 85 VAL CB C 85 31.730 31.265 0.465 1
1 994 . 2 1 1 A 85 85 VAL N N 85 126.221 125.024 1.197 1
1 995 . 2 1 1 A 86 86 LYS H H 86 8.924 8.109 0.815 1
1 996 . 2 1 1 A 86 86 LYS HA H 86 4.496 4.134 0.362 1
1 1005 . 2 1 1 A 86 86 LYS C C 86 177.277 177.848 -0.571 1
1 1006 . 2 1 1 A 86 86 LYS CA C 86 58.500 58.858 -0.358 1
1 1007 . 2 1 1 A 86 86 LYS CB C 86 33.780 32.600 1.180 1
1 1011 . 2 1 1 A 86 86 LYS N N 86 123.551 121.793 1.758 1
1 1012 . 2 1 1 A 87 87 CYS H H 87 8.264 7.450 0.814 1
1 1013 . 2 1 1 A 87 87 CYS HA H 87 4.925 4.630 0.295 1
1 1016 . 2 1 1 A 87 87 CYS C C 87 177.211 175.665 1.546 1
1 1017 . 2 1 1 A 87 87 CYS CA C 87 58.980 58.507 0.473 1
1 1018 . 2 1 1 A 87 87 CYS CB C 87 33.100 29.218 3.882 1
1 1019 . 2 1 1 A 87 87 CYS N N 87 117.502 114.909 2.593 1
1 1020 . 2 1 1 A 88 88 GLY H H 88 7.655 8.005 -0.350 1
1 1021 . 2 1 1 A 88 88 GLY HA2 H 88 4.159 3.932 0.227 1
1 1022 . 2 1 1 A 88 88 GLY HA3 H 88 3.729 3.934 -0.205 1
1 1023 . 2 1 1 A 88 88 GLY C C 88 173.558 173.617 -0.059 1
1 1024 . 2 1 1 A 88 88 GLY CA C 88 46.300 46.196 0.104 1
1 1025 . 2 1 1 A 88 88 GLY N N 88 111.948 111.926 0.022 1
1 1026 . 2 1 1 A 89 89 LYS H H 89 8.721 7.589 1.132 1
1 1027 . 2 1 1 A 89 89 LYS HA H 89 4.315 4.880 -0.565 1
1 1036 . 2 1 1 A 89 89 LYS C C 89 176.659 175.079 1.580 1
1 1037 . 2 1 1 A 89 89 LYS CA C 89 56.860 54.284 2.576 1
1 1038 . 2 1 1 A 89 89 LYS CB C 89 33.540 36.377 -2.837 1
1 1042 . 2 1 1 A 89 89 LYS N N 89 123.614 119.506 4.108 1
1 1043 . 2 1 1 A 90 90 ARG H H 90 8.415 8.496 -0.081 1
1 1044 . 2 1 1 A 90 90 ARG HA H 90 4.299 4.418 -0.119 1
1 1051 . 2 1 1 A 90 90 ARG C C 90 176.041 176.333 -0.292 1
1 1052 . 2 1 1 A 90 90 ARG CA C 90 56.030 56.241 -0.211 1
1 1053 . 2 1 1 A 90 90 ARG CB C 90 29.470 30.891 -1.421 1
1 1056 . 2 1 1 A 90 90 ARG N N 90 121.880 121.182 0.698 1
1 1057 . 2 1 1 A 91 91 ILE H H 91 8.334 8.397 -0.063 1
1 1058 . 2 1 1 A 91 91 ILE HA H 91 3.668 4.446 -0.778 1
1 1068 . 2 1 1 A 91 91 ILE C C 91 175.003 176.291 -1.288 1
1 1069 . 2 1 1 A 91 91 ILE CA C 91 61.810 60.254 1.556 1
1 1070 . 2 1 1 A 91 91 ILE CB C 91 38.920 38.718 0.202 1
1 1074 . 2 1 1 A 91 91 ILE N N 91 128.410 125.423 2.987 1
1 1075 . 2 1 1 A 92 92 SER H H 92 8.551 8.667 -0.116 1
1 1076 . 2 1 1 A 92 92 SER HA H 92 4.180 4.427 -0.247 1
1 1079 . 2 1 1 A 92 92 SER C C 92 175.108 175.061 0.047 1
1 1080 . 2 1 1 A 92 92 SER CA C 92 58.460 58.997 -0.537 1
1 1081 . 2 1 1 A 92 92 SER CB C 92 64.180 63.500 0.680 1
1 1082 . 2 1 1 A 92 92 SER N N 92 124.170 120.778 3.392 1
1 1083 . 2 1 1 A 93 93 GLU H H 93 8.912 8.873 0.039 1
1 1084 . 2 1 1 A 93 93 GLU HA H 93 3.939 3.994 -0.055 1
1 1089 . 2 1 1 A 93 93 GLU C C 93 178.144 177.955 0.189 1
1 1090 . 2 1 1 A 93 93 GLU CA C 93 60.080 59.209 0.871 1
1 1091 . 2 1 1 A 93 93 GLU CB C 93 29.960 29.481 0.479 1
1 1093 . 2 1 1 A 93 93 GLU N N 93 123.996 124.713 -0.717 1
1 1094 . 2 1 1 A 94 94 ASP H H 94 8.311 8.329 -0.018 1
1 1095 . 2 1 1 A 94 94 ASP HA H 94 4.252 4.476 -0.224 1
1 1098 . 2 1 1 A 94 94 ASP C C 94 178.472 178.356 0.116 1
1 1099 . 2 1 1 A 94 94 ASP CA C 94 57.240 55.955 1.285 1
1 1100 . 2 1 1 A 94 94 ASP CB C 94 40.420 40.330 0.090 1
1 1101 . 2 1 1 A 94 94 ASP N N 94 116.432 120.257 -3.825 1
1 1102 . 2 1 1 A 95 95 ARG H H 95 7.365 7.985 -0.620 1
1 1103 . 2 1 1 A 95 95 ARG HA H 95 4.067 4.096 -0.029 1
1 1110 . 2 1 1 A 95 95 ARG C C 95 177.237 178.696 -1.459 1
1 1111 . 2 1 1 A 95 95 ARG CA C 95 58.870 58.790 0.080 1
1 1112 . 2 1 1 A 95 95 ARG CB C 95 29.100 29.948 -0.848 1
1 1115 . 2 1 1 A 95 95 ARG N N 95 121.517 120.836 0.681 1
1 1116 . 2 1 1 A 96 96 LEU H H 96 7.831 7.903 -0.072 1
1 1117 . 2 1 1 A 96 96 LEU HA H 96 3.735 4.025 -0.290 1
1 1127 . 2 1 1 A 96 96 LEU C C 96 177.855 179.547 -1.692 1
1 1128 . 2 1 1 A 96 96 LEU CA C 96 56.930 57.030 -0.100 1
1 1129 . 2 1 1 A 96 96 LEU CB C 96 41.300 41.172 0.128 1
1 1133 . 2 1 1 A 96 96 LEU N N 96 119.073 119.541 -0.468 1
1 1134 . 2 1 1 A 97 97 LYS H H 97 8.098 8.447 -0.349 1
1 1135 . 2 1 1 A 97 97 LYS HA H 97 4.014 4.355 -0.341 1
1 1144 . 2 1 1 A 97 97 LYS C C 97 178.433 178.636 -0.203 1
1 1145 . 2 1 1 A 97 97 LYS CA C 97 59.080 59.067 0.013 1
1 1146 . 2 1 1 A 97 97 LYS CB C 97 32.830 31.897 0.933 1
1 1150 . 2 1 1 A 97 97 LYS N N 97 114.647 118.587 -3.940 1
1 1151 . 2 1 1 A 98 98 ALA H H 98 7.011 7.309 -0.298 1
1 1152 . 2 1 1 A 98 98 ALA HA H 98 4.196 4.287 -0.091 1
1 1156 . 2 1 1 A 98 98 ALA C C 98 178.814 177.815 0.999 1
1 1157 . 2 1 1 A 98 98 ALA CA C 98 54.480 54.024 0.456 1
1 1158 . 2 1 1 A 98 98 ALA CB C 98 19.380 19.712 -0.332 1
1 1159 . 2 1 1 A 98 98 ALA N N 98 119.536 120.652 -1.116 1
1 1160 . 2 1 1 A 99 99 VAL H H 99 8.133 7.661 0.472 1
1 1161 . 2 1 1 A 99 99 VAL HA H 99 4.098 4.168 -0.070 1
1 1169 . 2 1 1 A 99 99 VAL CA C 99 58.260 58.607 -0.347 1
1 1170 . 2 1 1 A 99 99 VAL CB C 99 32.530 33.038 -0.508 1
1 1173 . 2 1 1 A 99 99 VAL N N 99 114.735 115.201 -0.466 1
1 1174 . 2 1 1 A 100 100 PRO HA H 100 4.761 4.483 0.278 1
1 1181 . 2 1 1 A 100 100 PRO C C 100 175.437 177.028 -1.591 1
1 1182 . 2 1 1 A 100 100 PRO CA C 100 65.370 63.847 1.523 1
1 1183 . 2 1 1 A 100 100 PRO CB C 100 31.190 31.830 -0.640 1
1 1186 . 2 1 1 A 101 101 TYR H H 101 6.053 7.729 -1.676 1
1 1187 . 2 1 1 A 101 101 TYR HA H 101 4.463 4.717 -0.254 1
1 1194 . 2 1 1 A 101 101 TYR C C 101 175.871 174.351 1.520 1
1 1195 . 2 1 1 A 101 101 TYR CA C 101 53.920 57.006 -3.086 1
1 1196 . 2 1 1 A 101 101 TYR CB C 101 38.230 38.463 -0.233 1
1 1199 . 2 1 1 A 101 101 TYR N N 101 108.211 115.336 -7.125 1
1 1200 . 2 1 1 A 102 102 THR H H 102 7.466 7.681 -0.215 1
1 1201 . 2 1 1 A 102 102 THR HA H 102 4.384 4.756 -0.372 1
1 1206 . 2 1 1 A 102 102 THR CA C 102 60.030 58.509 1.521 1
1 1207 . 2 1 1 A 102 102 THR CB C 102 69.600 70.325 -0.725 1
1 1209 . 2 1 1 A 102 102 THR N N 102 120.556 114.956 5.600 1
1 1210 . 2 1 1 A 103 103 PRO HA H 103 4.244 4.322 -0.078 1
1 1217 . 2 1 1 A 103 103 PRO C C 103 176.344 176.144 0.200 1
1 1218 . 2 1 1 A 103 103 PRO CA C 103 62.400 64.383 -1.983 1
1 1219 . 2 1 1 A 103 103 PRO CB C 103 32.250 31.564 0.686 1
1 1222 . 2 1 1 A 104 104 PHE H H 104 7.365 7.333 0.032 1
1 1223 . 2 1 1 A 104 104 PHE HA H 104 6.207 4.853 1.354 1
1 1230 . 2 1 1 A 104 104 PHE C C 104 176.133 175.889 0.244 1
1 1231 . 2 1 1 A 104 104 PHE CA C 104 55.220 56.958 -1.738 1
1 1232 . 2 1 1 A 104 104 PHE CB C 104 44.480 40.578 3.902 1
1 1235 . 2 1 1 A 104 104 PHE N N 104 115.933 117.771 -1.838 1
1 1236 . 2 1 1 A 105 105 CYS H H 105 9.248 8.740 0.508 1
1 1237 . 2 1 1 A 105 105 CYS HA H 105 4.638 4.642 -0.004 1
1 1240 . 2 1 1 A 105 105 CYS C C 105 174.254 175.557 -1.303 1
1 1241 . 2 1 1 A 105 105 CYS CA C 105 58.060 58.397 -0.337 1
1 1242 . 2 1 1 A 105 105 CYS CB C 105 31.250 29.558 1.692 1
1 1243 . 2 1 1 A 105 105 CYS N N 105 118.999 123.389 -4.390 1
1 1244 . 2 1 1 A 106 106 GLN H H 106 8.865 9.001 -0.136 1
1 1245 . 2 1 1 A 106 106 GLN HA H 106 3.611 3.914 -0.303 1
1 1252 . 2 1 1 A 106 106 GLN C C 106 177.250 177.763 -0.513 1
1 1253 . 2 1 1 A 106 106 GLN CA C 106 59.430 59.216 0.214 1
1 1254 . 2 1 1 A 106 106 GLN CB C 106 28.750 28.617 0.133 1
1 1256 . 2 1 1 A 106 106 GLN N N 106 119.606 122.458 -2.852 1
1 1258 . 2 1 1 A 107 107 GLU H H 107 8.134 8.503 -0.369 1
1 1259 . 2 1 1 A 107 107 GLU HA H 107 3.959 4.078 -0.119 1
1 1264 . 2 1 1 A 107 107 GLU C C 107 179.616 178.618 0.998 1
1 1265 . 2 1 1 A 107 107 GLU CA C 107 60.110 59.614 0.496 1
1 1266 . 2 1 1 A 107 107 GLU CB C 107 29.990 28.863 1.127 1
1 1268 . 2 1 1 A 107 107 GLU N N 107 119.554 117.184 2.370 1
1 1269 . 2 1 1 A 108 108 CYS H H 108 8.681 8.090 0.591 1
1 1270 . 2 1 1 A 108 108 CYS HA H 108 3.783 4.047 -0.264 1
1 1273 . 2 1 1 A 108 108 CYS C C 108 177.868 176.756 1.112 1
1 1274 . 2 1 1 A 108 108 CYS CA C 108 64.110 63.260 0.850 1
1 1275 . 2 1 1 A 108 108 CYS CB C 108 29.270 27.102 2.168 1
1 1276 . 2 1 1 A 108 108 CYS N N 108 123.406 118.585 4.821 1
1 1277 . 2 1 1 A 109 109 ALA H H 109 8.094 8.277 -0.183 1
1 1278 . 2 1 1 A 109 109 ALA HA H 109 3.693 4.034 -0.341 1
1 1282 . 2 1 1 A 109 109 ALA C C 109 178.591 180.063 -1.472 1
1 1283 . 2 1 1 A 109 109 ALA CA C 109 53.710 55.013 -1.303 1
1 1284 . 2 1 1 A 109 109 ALA CB C 109 18.430 18.369 0.061 1
1 1285 . 2 1 1 A 109 109 ALA N N 109 120.579 122.325 -1.746 1
1 1286 . 2 1 1 A 110 110 ALA H H 110 7.402 8.007 -0.605 1
1 1287 . 2 1 1 A 110 110 ALA HA H 110 4.111 4.166 -0.055 1
1 1291 . 2 1 1 A 110 110 ALA C C 110 177.408 179.908 -2.500 1
1 1292 . 2 1 1 A 110 110 ALA CA C 110 53.000 54.910 -1.910 1
1 1293 . 2 1 1 A 110 110 ALA CB C 110 18.710 18.308 0.402 1
1 1294 . 2 1 1 A 110 110 ALA N N 110 118.992 119.756 -0.764 1
1 1295 . 2 1 1 A 111 111 ALA H H 111 7.247 7.485 -0.238 1
1 1296 . 2 1 1 A 111 111 ALA HA H 111 4.300 4.228 0.072 1
1 1300 . 2 1 1 A 111 111 ALA C C 111 176.488 178.332 -1.844 1
1 1301 . 2 1 1 A 111 111 ALA CA C 111 51.840 52.747 -0.907 1
1 1302 . 2 1 1 A 111 111 ALA CB C 111 19.210 19.360 -0.150 1
1 1303 . 2 1 1 A 111 111 ALA N N 111 120.857 119.455 1.402 1
1 19 . 3 1 1 A 2 2 ALA H H 2 8.460 7.954 0.506 1
1 20 . 3 1 1 A 2 2 ALA HA H 2 4.304 4.020 0.284 1
1 24 . 3 1 1 A 2 2 ALA C C 2 178.183 177.230 0.953 1
1 25 . 3 1 1 A 2 2 ALA CA C 2 52.760 52.719 0.041 1
1 26 . 3 1 1 A 2 2 ALA CB C 2 19.150 17.678 1.472 1
1 27 . 3 1 1 A 2 2 ALA N N 2 125.375 120.773 4.602 1
1 28 . 3 1 1 A 3 3 GLY H H 3 8.343 8.322 0.021 1
1 29 . 3 1 1 A 3 3 GLY N N 3 108.577 110.817 -2.240 1
1 30 . 3 1 1 A 5 5 LYS HA H 5 4.355 4.011 0.344 1
1 39 . 3 1 1 A 5 5 LYS CA C 5 56.170 59.608 -3.438 1
1 40 . 3 1 1 A 5 5 LYS CB C 5 33.170 32.201 0.969 1
1 44 . 3 1 1 A 6 6 SER HA H 6 4.429 4.180 0.249 1
1 47 . 3 1 1 A 6 6 SER CA C 6 58.390 61.673 -3.283 1
1 48 . 3 1 1 A 6 6 SER CB C 6 64.040 63.122 0.918 1
1 49 . 3 1 1 A 7 7 MET HA H 7 4.435 4.617 -0.182 1
1 57 . 3 1 1 A 7 7 MET CA C 7 55.610 55.247 0.363 1
1 58 . 3 1 1 A 7 7 MET CB C 7 33.550 32.858 0.692 1
1 61 . 3 1 1 A 8 8 ASN HA H 8 4.837 4.474 0.363 1
1 66 . 3 1 1 A 8 8 ASN C C 8 175.910 174.917 0.993 1
1 67 . 3 1 1 A 8 8 ASN CA C 8 52.310 54.330 -2.020 1
1 68 . 3 1 1 A 8 8 ASN CB C 8 38.190 36.306 1.884 1
1 70 . 3 1 1 A 9 9 VAL H H 9 8.400 7.899 0.501 1
1 71 . 3 1 1 A 9 9 VAL HA H 9 3.908 3.714 0.194 1
1 79 . 3 1 1 A 9 9 VAL C C 9 176.738 178.046 -1.308 1
1 80 . 3 1 1 A 9 9 VAL CA C 9 65.550 66.921 -1.371 1
1 81 . 3 1 1 A 9 9 VAL CB C 9 31.970 31.484 0.486 1
1 84 . 3 1 1 A 9 9 VAL N N 9 121.216 117.135 4.081 1
1 85 . 3 1 1 A 10 10 GLU H H 10 8.596 8.138 0.458 1
1 86 . 3 1 1 A 10 10 GLU HA H 10 4.077 3.927 0.150 1
1 91 . 3 1 1 A 10 10 GLU C C 10 178.985 178.922 0.063 1
1 92 . 3 1 1 A 10 10 GLU CA C 10 59.390 59.584 -0.194 1
1 93 . 3 1 1 A 10 10 GLU CB C 10 29.000 29.228 -0.228 1
1 95 . 3 1 1 A 10 10 GLU N N 10 121.274 120.458 0.816 1
1 96 . 3 1 1 A 11 11 SER H H 11 7.841 7.690 0.151 1
1 97 . 3 1 1 A 11 11 SER HA H 11 4.138 4.084 0.054 1
1 100 . 3 1 1 A 11 11 SER C C 11 176.817 176.359 0.458 1
1 101 . 3 1 1 A 11 11 SER CA C 11 60.790 62.170 -1.380 1
1 102 . 3 1 1 A 11 11 SER CB C 11 62.470 63.080 -0.610 1
1 103 . 3 1 1 A 11 11 SER N N 11 115.238 116.578 -1.340 1
1 104 . 3 1 1 A 12 12 TYR H H 12 7.284 7.386 -0.102 1
1 105 . 3 1 1 A 12 12 TYR HA H 12 4.104 4.343 -0.239 1
1 112 . 3 1 1 A 12 12 TYR C C 12 177.132 177.979 -0.847 1
1 113 . 3 1 1 A 12 12 TYR CA C 12 62.060 61.258 0.802 1
1 114 . 3 1 1 A 12 12 TYR CB C 12 38.710 37.874 0.836 1
1 117 . 3 1 1 A 12 12 TYR N N 12 120.370 119.835 0.535 1
1 118 . 3 1 1 A 13 13 GLU H H 13 8.490 8.394 0.096 1
1 119 . 3 1 1 A 13 13 GLU HA H 13 3.432 3.865 -0.433 1
1 124 . 3 1 1 A 13 13 GLU C C 13 177.303 178.644 -1.341 1
1 125 . 3 1 1 A 13 13 GLU CA C 13 60.660 59.763 0.897 1
1 126 . 3 1 1 A 13 13 GLU CB C 13 29.200 28.838 0.362 1
1 128 . 3 1 1 A 13 13 GLU N N 13 120.162 120.742 -0.580 1
1 129 . 3 1 1 A 14 14 LYS H H 14 7.454 7.709 -0.255 1
1 130 . 3 1 1 A 14 14 LYS HA H 14 3.900 4.070 -0.170 1
1 139 . 3 1 1 A 14 14 LYS C C 14 178.249 178.759 -0.510 1
1 140 . 3 1 1 A 14 14 LYS CA C 14 59.620 59.025 0.595 1
1 141 . 3 1 1 A 14 14 LYS CB C 14 32.420 32.298 0.122 1
1 145 . 3 1 1 A 14 14 LYS N N 14 117.838 118.195 -0.357 1
1 146 . 3 1 1 A 15 15 ILE H H 15 7.409 7.517 -0.108 1
1 147 . 3 1 1 A 15 15 ILE HA H 15 3.822 3.970 -0.148 1
1 157 . 3 1 1 A 15 15 ILE C C 15 179.668 177.618 2.050 1
1 158 . 3 1 1 A 15 15 ILE CA C 15 65.030 63.082 1.948 1
1 159 . 3 1 1 A 15 15 ILE CB C 15 38.950 37.752 1.198 1
1 163 . 3 1 1 A 15 15 ILE N N 15 118.597 120.748 -2.151 1
1 164 . 3 1 1 A 16 16 LEU H H 16 8.407 8.200 0.207 1
1 165 . 3 1 1 A 16 16 LEU HA H 16 3.992 3.927 0.065 1
1 175 . 3 1 1 A 16 16 LEU C C 16 178.512 179.451 -0.939 1
1 176 . 3 1 1 A 16 16 LEU CA C 16 58.230 58.375 -0.145 1
1 177 . 3 1 1 A 16 16 LEU CB C 16 42.130 41.658 0.472 1
1 181 . 3 1 1 A 16 16 LEU N N 16 120.642 121.329 -0.687 1
1 182 . 3 1 1 A 17 17 ARG H H 17 8.789 7.828 0.961 1
1 183 . 3 1 1 A 17 17 ARG HA H 17 3.917 4.122 -0.205 1
1 190 . 3 1 1 A 17 17 ARG C C 17 179.602 178.322 1.280 1
1 191 . 3 1 1 A 17 17 ARG CA C 17 60.080 58.963 1.117 1
1 192 . 3 1 1 A 17 17 ARG CB C 17 29.620 29.641 -0.021 1
1 195 . 3 1 1 A 17 17 ARG N N 17 119.196 118.518 0.678 1
1 196 . 3 1 1 A 18 18 ASP H H 18 8.638 7.915 0.723 1
1 197 . 3 1 1 A 18 18 ASP HA H 18 4.418 4.486 -0.068 1
1 200 . 3 1 1 A 18 18 ASP C C 18 179.116 179.064 0.052 1
1 201 . 3 1 1 A 18 18 ASP CA C 18 57.330 56.715 0.615 1
1 202 . 3 1 1 A 18 18 ASP CB C 18 39.700 40.695 -0.995 1
1 203 . 3 1 1 A 18 18 ASP N N 18 121.383 119.190 2.193 1
1 204 . 3 1 1 A 19 19 ARG H H 19 7.947 7.928 0.019 1
1 205 . 3 1 1 A 19 19 ARG HA H 19 4.180 4.079 0.101 1
1 212 . 3 1 1 A 19 19 ARG C C 19 177.855 178.982 -1.127 1
1 213 . 3 1 1 A 19 19 ARG CA C 19 57.680 59.493 -1.813 1
1 214 . 3 1 1 A 19 19 ARG CB C 19 29.540 29.854 -0.314 1
1 217 . 3 1 1 A 19 19 ARG N N 19 121.506 120.949 0.557 1
1 218 . 3 1 1 A 20 20 GLN H H 20 8.691 8.250 0.441 1
1 219 . 3 1 1 A 20 20 GLN HA H 20 3.589 3.999 -0.410 1
1 226 . 3 1 1 A 20 20 GLN C C 20 176.896 178.313 -1.417 1
1 227 . 3 1 1 A 20 20 GLN CA C 20 59.620 58.332 1.288 1
1 228 . 3 1 1 A 20 20 GLN CB C 20 30.020 27.655 2.365 1
1 230 . 3 1 1 A 20 20 GLN N N 20 120.162 117.931 2.231 1
1 232 . 3 1 1 A 21 21 ARG H H 21 7.959 7.861 0.098 1
1 233 . 3 1 1 A 21 21 ARG HA H 21 3.973 4.192 -0.219 1
1 240 . 3 1 1 A 21 21 ARG C C 21 178.985 178.921 0.064 1
1 241 . 3 1 1 A 21 21 ARG CA C 21 59.800 59.473 0.327 1
1 242 . 3 1 1 A 21 21 ARG CB C 21 29.980 30.032 -0.052 1
1 245 . 3 1 1 A 21 21 ARG N N 21 117.219 119.329 -2.110 1
1 246 . 3 1 1 A 22 22 GLU H H 22 7.700 8.014 -0.314 1
1 247 . 3 1 1 A 22 22 GLU HA H 22 4.076 4.127 -0.051 1
1 252 . 3 1 1 A 22 22 GLU C C 22 179.090 178.888 0.202 1
1 253 . 3 1 1 A 22 22 GLU CA C 22 58.950 59.030 -0.080 1
1 254 . 3 1 1 A 22 22 GLU CB C 22 29.580 28.904 0.676 1
1 256 . 3 1 1 A 22 22 GLU N N 22 119.703 118.054 1.649 1
1 257 . 3 1 1 A 23 23 LEU H H 23 8.264 7.929 0.335 1
1 258 . 3 1 1 A 23 23 LEU HA H 23 3.979 3.931 0.048 1
1 268 . 3 1 1 A 23 23 LEU C C 23 179.234 178.738 0.496 1
1 269 . 3 1 1 A 23 23 LEU CA C 23 57.990 57.956 0.034 1
1 270 . 3 1 1 A 23 23 LEU CB C 23 42.370 41.989 0.381 1
1 274 . 3 1 1 A 23 23 LEU N N 23 119.988 121.821 -1.833 1
1 275 . 3 1 1 A 24 24 TYR H H 24 8.688 8.426 0.262 1
1 276 . 3 1 1 A 24 24 TYR HA H 24 4.084 4.493 -0.409 1
1 283 . 3 1 1 A 24 24 TYR C C 24 178.630 179.102 -0.472 1
1 284 . 3 1 1 A 24 24 TYR CA C 24 61.670 60.735 0.935 1
1 285 . 3 1 1 A 24 24 TYR CB C 24 37.780 37.981 -0.201 1
1 288 . 3 1 1 A 24 24 TYR N N 24 119.101 117.778 1.323 1
1 289 . 3 1 1 A 25 25 ARG H H 25 7.945 8.036 -0.091 1
1 290 . 3 1 1 A 25 25 ARG HA H 25 4.043 4.204 -0.161 1
1 297 . 3 1 1 A 25 25 ARG C C 25 178.683 178.725 -0.042 1
1 298 . 3 1 1 A 25 25 ARG CA C 25 59.460 59.078 0.382 1
1 299 . 3 1 1 A 25 25 ARG CB C 25 30.160 29.934 0.226 1
1 302 . 3 1 1 A 25 25 ARG N N 25 118.297 118.663 -0.366 1
1 303 . 3 1 1 A 26 26 ARG H H 26 7.726 7.581 0.145 1
1 304 . 3 1 1 A 26 26 ARG HA H 26 4.067 4.156 -0.089 1
1 311 . 3 1 1 A 26 26 ARG C C 26 177.986 178.307 -0.321 1
1 312 . 3 1 1 A 26 26 ARG CA C 26 58.300 58.708 -0.408 1
1 313 . 3 1 1 A 26 26 ARG CB C 26 30.670 30.140 0.530 1
1 316 . 3 1 1 A 26 26 ARG N N 26 118.100 119.764 -1.664 1
1 317 . 3 1 1 A 27 27 LEU H H 27 7.971 8.034 -0.063 1
1 318 . 3 1 1 A 27 27 LEU HA H 27 4.095 4.185 -0.090 1
1 328 . 3 1 1 A 27 27 LEU C C 27 177.461 177.564 -0.103 1
1 329 . 3 1 1 A 27 27 LEU CA C 27 56.260 56.719 -0.459 1
1 330 . 3 1 1 A 27 27 LEU CB C 27 42.260 42.381 -0.121 1
1 334 . 3 1 1 A 27 27 LEU N N 27 118.633 116.584 2.049 1
1 335 . 3 1 1 A 28 28 HIS H H 28 7.863 7.743 0.120 1
1 336 . 3 1 1 A 28 28 HIS HA H 28 4.482 4.889 -0.407 1
1 341 . 3 1 1 A 28 28 HIS C C 28 174.741 176.118 -1.377 1
1 342 . 3 1 1 A 28 28 HIS CA C 28 56.310 55.733 0.577 1
1 343 . 3 1 1 A 28 28 HIS CB C 28 29.300 29.288 0.012 1
1 346 . 3 1 1 A 28 28 HIS N N 28 116.767 117.401 -0.634 1
1 347 . 3 1 1 A 29 29 LYS H H 29 7.893 8.309 -0.416 1
1 348 . 3 1 1 A 29 29 LYS HA H 29 4.172 4.065 0.107 1
1 357 . 3 1 1 A 29 29 LYS C C 29 176.357 178.228 -1.871 1
1 358 . 3 1 1 A 29 29 LYS CA C 29 56.830 58.812 -1.982 1
1 359 . 3 1 1 A 29 29 LYS CB C 29 32.000 32.166 -0.166 1
1 363 . 3 1 1 A 29 29 LYS N N 29 120.331 118.986 1.345 1
1 364 . 3 1 1 A 30 30 ILE H H 30 7.995 7.888 0.107 1
1 365 . 3 1 1 A 30 30 ILE HA H 30 4.085 3.873 0.212 1
1 375 . 3 1 1 A 30 30 ILE C C 30 176.344 177.349 -1.005 1
1 376 . 3 1 1 A 30 30 ILE CA C 30 61.440 64.192 -2.752 1
1 377 . 3 1 1 A 30 30 ILE CB C 30 39.020 37.520 1.500 1
1 381 . 3 1 1 A 30 30 ILE N N 30 120.440 116.486 3.954 1
1 382 . 3 1 1 A 31 31 GLU H H 31 8.367 7.439 0.928 1
1 383 . 3 1 1 A 31 31 GLU HA H 31 4.159 4.402 -0.243 1
1 388 . 3 1 1 A 31 31 GLU C C 31 176.265 176.511 -0.246 1
1 389 . 3 1 1 A 31 31 GLU CA C 31 56.890 56.764 0.126 1
1 390 . 3 1 1 A 31 31 GLU CB C 31 30.050 30.594 -0.544 1
1 392 . 3 1 1 A 31 31 GLU N N 31 124.043 119.833 4.210 1
1 393 . 3 1 1 A 32 32 ALA H H 32 8.138 7.434 0.704 1
1 394 . 3 1 1 A 32 32 ALA HA H 32 4.175 4.294 -0.119 1
1 398 . 3 1 1 A 32 32 ALA C C 32 177.198 177.302 -0.104 1
1 399 . 3 1 1 A 32 32 ALA CA C 32 52.620 52.108 0.512 1
1 400 . 3 1 1 A 32 32 ALA CB C 32 19.490 20.547 -1.057 1
1 401 . 3 1 1 A 32 32 ALA N N 32 124.170 122.406 1.764 1
1 402 . 3 1 1 A 33 33 ASP H H 33 8.157 8.965 -0.808 1
1 403 . 3 1 1 A 33 33 ASP HA H 33 4.467 4.802 -0.335 1
1 406 . 3 1 1 A 33 33 ASP C C 33 175.910 175.405 0.505 1
1 407 . 3 1 1 A 33 33 ASP CA C 33 54.500 53.817 0.683 1
1 408 . 3 1 1 A 33 33 ASP CB C 33 40.750 40.857 -0.107 1
1 409 . 3 1 1 A 33 33 ASP N N 33 118.904 118.376 0.528 1
1 410 . 3 1 1 A 34 34 PHE H H 34 7.884 8.188 -0.304 1
1 411 . 3 1 1 A 34 34 PHE HA H 34 4.514 4.203 0.311 1
1 418 . 3 1 1 A 34 34 PHE C C 34 175.319 175.954 -0.635 1
1 419 . 3 1 1 A 34 34 PHE CA C 34 57.610 58.689 -1.079 1
1 420 . 3 1 1 A 34 34 PHE CB C 34 39.840 37.317 2.523 1
1 423 . 3 1 1 A 34 34 PHE N N 34 119.439 117.244 2.195 1
1 424 . 3 1 1 A 35 35 GLU H H 35 8.084 8.228 -0.144 1
1 425 . 3 1 1 A 35 35 GLU HA H 35 4.190 3.851 0.339 1
1 430 . 3 1 1 A 35 35 GLU C C 35 175.634 176.109 -0.475 1
1 431 . 3 1 1 A 35 35 GLU CA C 35 56.140 59.540 -3.400 1
1 432 . 3 1 1 A 35 35 GLU CB C 35 30.810 29.394 1.416 1
1 434 . 3 1 1 A 35 35 GLU N N 35 122.340 125.584 -3.244 1
1 435 . 3 1 1 A 36 36 GLU H H 36 8.172 7.613 0.559 1
1 436 . 3 1 1 A 36 36 GLU HA H 36 4.442 3.888 0.554 1
1 441 . 3 1 1 A 36 36 GLU CA C 36 54.300 56.823 -2.523 1
1 442 . 3 1 1 A 36 36 GLU CB C 36 29.490 28.352 1.138 1
1 444 . 3 1 1 A 36 36 GLU N N 36 123.278 117.413 5.865 1
1 445 . 3 1 1 A 37 37 PRO HA H 37 4.339 4.647 -0.308 1
1 452 . 3 1 1 A 37 37 PRO C C 37 175.818 177.156 -1.338 1
1 453 . 3 1 1 A 37 37 PRO CA C 37 62.800 62.244 0.556 1
1 454 . 3 1 1 A 37 37 PRO CB C 37 31.900 29.266 2.634 1
1 457 . 3 1 1 A 38 38 ARG H H 38 8.412 8.686 -0.274 1
1 458 . 3 1 1 A 38 38 ARG HA H 38 4.255 4.027 0.228 1
1 465 . 3 1 1 A 38 38 ARG C C 38 175.818 176.242 -0.424 1
1 466 . 3 1 1 A 38 38 ARG CA C 38 55.350 58.235 -2.885 1
1 467 . 3 1 1 A 38 38 ARG CB C 38 31.010 30.955 0.055 1
1 470 . 3 1 1 A 38 38 ARG N N 38 121.791 123.157 -1.366 1
1 471 . 3 1 1 A 39 39 ASN H H 39 8.624 7.756 0.868 1
1 472 . 3 1 1 A 39 39 ASN HA H 39 4.906 5.151 -0.245 1
1 477 . 3 1 1 A 39 39 ASN CA C 39 51.100 50.627 0.473 1
1 478 . 3 1 1 A 39 39 ASN CB C 39 38.560 40.722 -2.162 1
1 479 . 3 1 1 A 39 39 ASN N N 39 121.594 114.516 7.078 1
1 481 . 3 1 1 A 40 40 PRO HA H 40 4.310 4.369 -0.059 1
1 488 . 3 1 1 A 40 40 PRO C C 40 176.896 176.086 0.810 1
1 489 . 3 1 1 A 40 40 PRO CA C 40 63.970 64.625 -0.655 1
1 490 . 3 1 1 A 40 40 PRO CB C 40 32.210 32.005 0.205 1
1 493 . 3 1 1 A 41 41 ASP H H 41 8.219 8.108 0.111 1
1 494 . 3 1 1 A 41 41 ASP HA H 41 4.516 4.729 -0.213 1
1 497 . 3 1 1 A 41 41 ASP C C 41 176.252 175.852 0.400 1
1 498 . 3 1 1 A 41 41 ASP CA C 41 54.740 54.052 0.688 1
1 499 . 3 1 1 A 41 41 ASP CB C 41 41.100 41.689 -0.589 1
1 500 . 3 1 1 A 41 41 ASP N N 41 118.818 119.031 -0.213 1
1 501 . 3 1 1 A 42 42 ASP H H 42 7.949 8.519 -0.570 1
1 502 . 3 1 1 A 42 42 ASP HA H 42 4.516 4.694 -0.178 1
1 505 . 3 1 1 A 42 42 ASP C C 42 176.567 176.006 0.561 1
1 506 . 3 1 1 A 42 42 ASP CA C 42 54.910 54.175 0.735 1
1 507 . 3 1 1 A 42 42 ASP CB C 42 41.100 41.841 -0.741 1
1 508 . 3 1 1 A 42 42 ASP N N 42 120.104 122.519 -2.415 1
1 509 . 3 1 1 A 43 43 GLU H H 43 8.179 8.750 -0.571 1
1 510 . 3 1 1 A 43 43 GLU HA H 43 4.153 4.526 -0.373 1
1 515 . 3 1 1 A 43 43 GLU C C 43 176.488 176.290 0.198 1
1 516 . 3 1 1 A 43 43 GLU CA C 43 57.070 55.240 1.830 1
1 517 . 3 1 1 A 43 43 GLU CB C 43 30.430 27.984 2.446 1
1 519 . 3 1 1 A 43 43 GLU N N 43 121.153 121.133 0.020 1
1 520 . 3 1 1 A 44 44 ASP H H 44 8.325 8.698 -0.373 1
1 521 . 3 1 1 A 44 44 ASP HA H 44 4.517 4.199 0.318 1
1 524 . 3 1 1 A 44 44 ASP C C 44 176.462 175.288 1.174 1
1 525 . 3 1 1 A 44 44 ASP CA C 44 54.360 55.194 -0.834 1
1 526 . 3 1 1 A 44 44 ASP CB C 44 41.030 39.500 1.530 1
1 527 . 3 1 1 A 44 44 ASP N N 44 121.100 120.626 0.474 1
1 528 . 3 1 1 A 45 45 ARG H H 45 8.106 8.270 -0.164 1
1 529 . 3 1 1 A 45 45 ARG HA H 45 4.252 4.065 0.187 1
1 536 . 3 1 1 A 45 45 ARG C C 45 176.475 174.455 2.020 1
1 537 . 3 1 1 A 45 45 ARG CA C 45 56.000 57.001 -1.001 1
1 538 . 3 1 1 A 45 45 ARG CB C 45 30.360 29.163 1.197 1
1 541 . 3 1 1 A 45 45 ARG N N 45 121.258 118.472 2.786 1
1 542 . 3 1 1 A 46 46 ALA H H 46 8.235 8.769 -0.534 1
1 543 . 3 1 1 A 46 46 ALA HA H 46 4.220 4.836 -0.616 1
1 547 . 3 1 1 A 46 46 ALA C C 46 178.196 176.230 1.966 1
1 548 . 3 1 1 A 46 46 ALA CA C 46 53.070 51.123 1.947 1
1 549 . 3 1 1 A 46 46 ALA CB C 46 18.840 22.038 -3.198 1
1 550 . 3 1 1 A 46 46 ALA N N 46 124.506 127.302 -2.796 1
1 551 . 3 1 1 A 47 47 SER H H 47 8.150 8.629 -0.479 1
1 552 . 3 1 1 A 47 47 SER HA H 47 4.331 4.555 -0.224 1
1 555 . 3 1 1 A 47 47 SER C C 47 174.727 173.673 1.054 1
1 556 . 3 1 1 A 47 47 SER CA C 47 58.820 59.980 -1.160 1
1 557 . 3 1 1 A 47 47 SER CB C 47 63.520 62.232 1.288 1
1 558 . 3 1 1 A 47 47 SER N N 47 114.398 111.478 2.920 1
1 559 . 3 1 1 A 48 48 GLU H H 48 8.235 8.564 -0.329 1
1 560 . 3 1 1 A 48 48 GLU HA H 48 4.244 4.734 -0.490 1
1 565 . 3 1 1 A 48 48 GLU C C 48 176.396 174.989 1.407 1
1 566 . 3 1 1 A 48 48 GLU CA C 48 56.550 55.307 1.243 1
1 567 . 3 1 1 A 48 48 GLU CB C 48 30.330 29.660 0.670 1
1 569 . 3 1 1 A 48 48 GLU N N 48 122.340 120.233 2.107 1
1 570 . 3 1 1 A 49 49 ARG H H 49 8.174 8.608 -0.434 1
1 571 . 3 1 1 A 49 49 ARG HA H 49 4.339 3.766 0.573 1
1 578 . 3 1 1 A 49 49 ARG C C 49 176.344 174.915 1.429 1
1 579 . 3 1 1 A 49 49 ARG CA C 49 55.900 56.443 -0.543 1
1 580 . 3 1 1 A 49 49 ARG CB C 49 30.980 28.480 2.500 1
1 583 . 3 1 1 A 49 49 ARG N N 49 121.431 118.339 3.092 1
1 584 . 3 1 1 A 50 50 SER H H 50 8.389 7.903 0.486 1
1 585 . 3 1 1 A 50 50 SER HA H 50 4.392 3.360 1.032 1
1 588 . 3 1 1 A 50 50 SER C C 50 174.517 173.743 0.774 1
1 589 . 3 1 1 A 50 50 SER CA C 50 58.230 57.033 1.197 1
1 590 . 3 1 1 A 50 50 SER CB C 50 64.010 61.995 2.015 1
1 591 . 3 1 1 A 50 50 SER N N 50 117.321 113.394 3.927 1
1 592 . 3 1 1 A 51 51 ASN H H 51 8.488 7.708 0.780 1
1 593 . 3 1 1 A 51 51 ASN HA H 51 4.657 4.574 0.083 1
1 598 . 3 1 1 A 51 51 ASN C C 51 175.122 176.166 -1.044 1
1 599 . 3 1 1 A 51 51 ASN CA C 51 53.780 53.602 0.178 1
1 600 . 3 1 1 A 51 51 ASN CB C 51 38.770 38.613 0.157 1
1 601 . 3 1 1 A 51 51 ASN N N 51 120.903 122.916 -2.013 1
1 603 . 3 1 1 A 52 52 ASP H H 52 8.231 8.749 -0.518 1
1 604 . 3 1 1 A 52 52 ASP HA H 52 4.517 5.035 -0.518 1
1 607 . 3 1 1 A 52 52 ASP C C 52 176.291 176.561 -0.270 1
1 608 . 3 1 1 A 52 52 ASP CA C 52 54.500 53.122 1.378 1
1 609 . 3 1 1 A 52 52 ASP CB C 52 41.170 40.165 1.005 1
1 610 . 3 1 1 A 52 52 ASP N N 52 120.236 118.968 1.268 1
1 611 . 3 1 1 A 53 53 GLU H H 53 8.139 7.574 0.565 1
1 612 . 3 1 1 A 53 53 GLU HA H 53 4.194 4.399 -0.205 1
1 617 . 3 1 1 A 53 53 GLU C C 53 176.606 177.533 -0.927 1
1 618 . 3 1 1 A 53 53 GLU CA C 53 56.930 56.751 0.179 1
1 619 . 3 1 1 A 53 53 GLU CB C 53 30.500 30.394 0.106 1
1 621 . 3 1 1 A 53 53 GLU N N 53 120.655 120.315 0.340 1
1 622 . 3 1 1 A 54 54 VAL H H 54 8.061 8.719 -0.658 1
1 623 . 3 1 1 A 54 54 VAL HA H 54 3.978 3.849 0.129 1
1 631 . 3 1 1 A 54 54 VAL C C 54 176.278 176.253 0.025 1
1 632 . 3 1 1 A 54 54 VAL CA C 54 62.880 65.710 -2.830 1
1 633 . 3 1 1 A 54 54 VAL CB C 54 32.660 31.760 0.900 1
1 636 . 3 1 1 A 54 54 VAL N N 54 121.320 121.262 0.058 1
1 637 . 3 1 1 A 55 55 LEU H H 55 8.209 7.398 0.811 1
1 638 . 3 1 1 A 55 55 LEU HA H 55 4.273 4.194 0.079 1
1 648 . 3 1 1 A 55 55 LEU C C 55 177.355 176.378 0.977 1
1 649 . 3 1 1 A 55 55 LEU CA C 55 55.290 55.772 -0.482 1
1 650 . 3 1 1 A 55 55 LEU CB C 55 42.190 42.475 -0.285 1
1 654 . 3 1 1 A 55 55 LEU N N 55 125.139 122.803 2.336 1
1 655 . 3 1 1 A 56 56 ASP H H 56 8.204 8.993 -0.789 1
1 656 . 3 1 1 A 56 56 ASP HA H 56 4.516 4.861 -0.345 1
1 659 . 3 1 1 A 56 56 ASP C C 56 176.633 176.770 -0.137 1
1 660 . 3 1 1 A 56 56 ASP CA C 56 54.360 52.899 1.461 1
1 661 . 3 1 1 A 56 56 ASP CB C 56 41.070 39.840 1.230 1
1 662 . 3 1 1 A 56 56 ASP N N 56 121.154 128.436 -7.282 1
1 663 . 3 1 1 A 57 57 GLU H H 57 8.316 7.978 0.338 1
1 664 . 3 1 1 A 57 57 GLU HA H 57 4.164 4.420 -0.256 1
1 669 . 3 1 1 A 57 57 GLU C C 57 177.158 175.675 1.483 1
1 670 . 3 1 1 A 57 57 GLU CA C 57 57.650 55.727 1.923 1
1 671 . 3 1 1 A 57 57 GLU CB C 57 30.020 29.978 0.042 1
1 673 . 3 1 1 A 57 57 GLU N N 57 120.771 123.258 -2.487 1
1 674 . 3 1 1 A 58 58 LEU H H 58 8.204 7.477 0.727 1
1 675 . 3 1 1 A 58 58 LEU HA H 58 4.231 4.592 -0.361 1
1 685 . 3 1 1 A 58 58 LEU C C 58 178.538 177.382 1.156 1
1 686 . 3 1 1 A 58 58 LEU CA C 58 55.690 53.816 1.874 1
1 687 . 3 1 1 A 58 58 LEU CB C 58 42.230 43.251 -1.021 1
1 691 . 3 1 1 A 58 58 LEU N N 58 120.716 122.015 -1.299 1
1 692 . 3 1 1 A 59 59 GLY H H 59 8.212 8.166 0.046 1
1 693 . 3 1 1 A 59 59 GLY HA2 H 59 3.917 4.056 -0.139 1
1 694 . 3 1 1 A 59 59 GLY HA3 H 59 3.917 4.067 -0.150 1
1 695 . 3 1 1 A 59 59 GLY C C 59 174.294 175.453 -1.159 1
1 696 . 3 1 1 A 59 59 GLY CA C 59 45.550 45.379 0.171 1
1 697 . 3 1 1 A 59 59 GLY N N 59 108.670 108.665 0.005 1
1 698 . 3 1 1 A 60 60 GLN H H 60 8.310 8.783 -0.473 1
1 699 . 3 1 1 A 60 60 GLN HA H 60 4.079 3.838 0.241 1
1 706 . 3 1 1 A 60 60 GLN C C 60 177.171 177.873 -0.702 1
1 707 . 3 1 1 A 60 60 GLN CA C 60 57.590 58.718 -1.128 1
1 708 . 3 1 1 A 60 60 GLN CB C 60 28.960 28.825 0.135 1
1 710 . 3 1 1 A 60 60 GLN N N 60 120.662 122.194 -1.532 1
1 712 . 3 1 1 A 61 61 VAL H H 61 8.136 7.967 0.169 1
1 713 . 3 1 1 A 61 61 VAL HA H 61 3.971 3.647 0.324 1
1 721 . 3 1 1 A 61 61 VAL C C 61 178.262 177.807 0.455 1
1 722 . 3 1 1 A 61 61 VAL CA C 61 64.420 66.304 -1.884 1
1 723 . 3 1 1 A 61 61 VAL CB C 61 32.110 31.364 0.746 1
1 726 . 3 1 1 A 61 61 VAL N N 61 119.154 119.549 -0.395 1
1 727 . 3 1 1 A 62 62 GLY H H 62 8.183 8.216 -0.033 1
1 728 . 3 1 1 A 62 62 GLY HA2 H 62 3.966 3.659 0.307 1
1 729 . 3 1 1 A 62 62 GLY HA3 H 62 3.783 3.665 0.118 1
1 730 . 3 1 1 A 62 62 GLY C C 62 174.872 175.870 -0.998 1
1 731 . 3 1 1 A 62 62 GLY CA C 62 46.780 46.943 -0.163 1
1 732 . 3 1 1 A 62 62 GLY N N 62 110.813 107.608 3.205 1
1 733 . 3 1 1 A 63 63 GLN H H 63 8.235 7.832 0.403 1
1 734 . 3 1 1 A 63 63 GLN HA H 63 3.966 3.941 0.025 1
1 741 . 3 1 1 A 63 63 GLN C C 63 178.170 178.468 -0.298 1
1 742 . 3 1 1 A 63 63 GLN CA C 63 58.990 58.725 0.265 1
1 743 . 3 1 1 A 63 63 GLN CB C 63 28.500 28.275 0.225 1
1 745 . 3 1 1 A 63 63 GLN N N 63 120.667 121.436 -0.769 1
1 747 . 3 1 1 A 64 64 ASP H H 64 8.386 7.995 0.391 1
1 748 . 3 1 1 A 64 64 ASP HA H 64 4.347 4.357 -0.010 1
1 751 . 3 1 1 A 64 64 ASP C C 64 178.669 178.912 -0.243 1
1 752 . 3 1 1 A 64 64 ASP CA C 64 56.860 56.722 0.138 1
1 753 . 3 1 1 A 64 64 ASP CB C 64 39.970 40.332 -0.362 1
1 754 . 3 1 1 A 64 64 ASP N N 64 120.058 120.265 -0.207 1
1 755 . 3 1 1 A 65 65 GLU H H 65 7.992 7.818 0.174 1
1 756 . 3 1 1 A 65 65 GLU HA H 65 3.542 4.118 -0.576 1
1 761 . 3 1 1 A 65 65 GLU C C 65 177.842 178.730 -0.888 1
1 762 . 3 1 1 A 65 65 GLU CA C 65 59.560 58.693 0.867 1
1 763 . 3 1 1 A 65 65 GLU CB C 65 29.100 29.440 -0.340 1
1 765 . 3 1 1 A 65 65 GLU N N 65 123.846 119.632 4.214 1
1 766 . 3 1 1 A 66 66 LEU H H 66 8.100 7.995 0.105 1
1 767 . 3 1 1 A 66 66 LEU HA H 66 3.783 3.897 -0.114 1
1 777 . 3 1 1 A 66 66 LEU C C 66 178.893 178.351 0.542 1
1 778 . 3 1 1 A 66 66 LEU CA C 66 58.610 57.775 0.835 1
1 779 . 3 1 1 A 66 66 LEU CB C 66 41.510 41.509 0.001 1
1 783 . 3 1 1 A 66 66 LEU N N 66 119.444 121.077 -1.633 1
1 784 . 3 1 1 A 67 67 ARG H H 67 7.870 8.287 -0.417 1
1 785 . 3 1 1 A 67 67 ARG HA H 67 4.095 3.963 0.132 1
1 792 . 3 1 1 A 67 67 ARG C C 67 179.484 178.077 1.407 1
1 793 . 3 1 1 A 67 67 ARG CA C 67 59.490 59.554 -0.064 1
1 794 . 3 1 1 A 67 67 ARG CB C 67 30.230 29.848 0.382 1
1 797 . 3 1 1 A 67 67 ARG N N 67 118.088 119.849 -1.761 1
1 798 . 3 1 1 A 68 68 ALA H H 68 7.820 7.553 0.267 1
1 799 . 3 1 1 A 68 68 ALA HA H 68 4.188 4.045 0.143 1
1 803 . 3 1 1 A 68 68 ALA C C 68 181.626 180.377 1.249 1
1 804 . 3 1 1 A 68 68 ALA CA C 68 54.840 55.070 -0.230 1
1 805 . 3 1 1 A 68 68 ALA CB C 68 18.400 18.665 -0.265 1
1 806 . 3 1 1 A 68 68 ALA N N 68 123.318 121.848 1.470 1
1 807 . 3 1 1 A 69 69 ILE H H 69 8.643 7.740 0.903 1
1 808 . 3 1 1 A 69 69 ILE HA H 69 3.539 3.703 -0.164 1
1 818 . 3 1 1 A 69 69 ILE C C 69 177.290 177.417 -0.127 1
1 819 . 3 1 1 A 69 69 ILE CA C 69 66.370 65.193 1.177 1
1 820 . 3 1 1 A 69 69 ILE CB C 69 38.090 37.910 0.180 1
1 824 . 3 1 1 A 69 69 ILE N N 69 122.954 118.884 4.070 1
1 825 . 3 1 1 A 70 70 ASP H H 70 8.415 8.409 0.006 1
1 826 . 3 1 1 A 70 70 ASP HA H 70 4.336 4.396 -0.060 1
1 829 . 3 1 1 A 70 70 ASP C C 70 179.786 178.706 1.080 1
1 830 . 3 1 1 A 70 70 ASP CA C 70 58.130 57.079 1.051 1
1 831 . 3 1 1 A 70 70 ASP CB C 70 40.310 39.998 0.312 1
1 832 . 3 1 1 A 70 70 ASP N N 70 121.571 119.876 1.695 1
1 833 . 3 1 1 A 71 71 ALA H H 71 7.869 7.954 -0.085 1
1 834 . 3 1 1 A 71 71 ALA HA H 71 4.215 4.167 0.048 1
1 838 . 3 1 1 A 71 71 ALA C C 71 180.246 179.677 0.569 1
1 839 . 3 1 1 A 71 71 ALA CA C 71 54.500 54.839 -0.339 1
1 840 . 3 1 1 A 71 71 ALA CB C 71 17.680 18.460 -0.780 1
1 841 . 3 1 1 A 71 71 ALA N N 71 121.459 122.611 -1.152 1
1 842 . 3 1 1 A 72 72 ALA H H 72 8.263 7.812 0.451 1
1 843 . 3 1 1 A 72 72 ALA HA H 72 4.045 4.252 -0.207 1
1 847 . 3 1 1 A 72 72 ALA C C 72 179.668 180.470 -0.802 1
1 848 . 3 1 1 A 72 72 ALA CA C 72 55.560 55.202 0.358 1
1 849 . 3 1 1 A 72 72 ALA CB C 72 19.870 18.661 1.209 1
1 850 . 3 1 1 A 72 72 ALA N N 72 123.378 120.947 2.431 1
1 851 . 3 1 1 A 73 73 LEU H H 73 8.790 8.444 0.346 1
1 852 . 3 1 1 A 73 73 LEU HA H 73 3.920 4.008 -0.088 1
1 862 . 3 1 1 A 73 73 LEU C C 73 180.286 179.428 0.858 1
1 863 . 3 1 1 A 73 73 LEU CA C 73 58.130 57.772 0.358 1
1 864 . 3 1 1 A 73 73 LEU CB C 73 41.200 41.373 -0.173 1
1 868 . 3 1 1 A 73 73 LEU N N 73 119.015 120.281 -1.266 1
1 869 . 3 1 1 A 74 74 ALA H H 74 7.931 7.865 0.066 1
1 870 . 3 1 1 A 74 74 ALA HA H 74 4.273 4.097 0.176 1
1 874 . 3 1 1 A 74 74 ALA C C 74 180.811 179.599 1.212 1
1 875 . 3 1 1 A 74 74 ALA CA C 74 54.960 54.970 -0.010 1
1 876 . 3 1 1 A 74 74 ALA CB C 74 17.690 18.083 -0.393 1
1 877 . 3 1 1 A 74 74 ALA N N 74 124.135 122.046 2.089 1
1 878 . 3 1 1 A 75 75 ARG H H 75 7.898 7.576 0.322 1
1 879 . 3 1 1 A 75 75 ARG HA H 75 4.138 4.100 0.038 1
1 886 . 3 1 1 A 75 75 ARG C C 75 179.721 178.702 1.019 1
1 887 . 3 1 1 A 75 75 ARG CA C 75 60.170 59.471 0.699 1
1 888 . 3 1 1 A 75 75 ARG CB C 75 29.970 30.483 -0.513 1
1 891 . 3 1 1 A 75 75 ARG N N 75 120.143 117.536 2.607 1
1 892 . 3 1 1 A 76 76 ILE H H 76 8.061 7.887 0.174 1
1 893 . 3 1 1 A 76 76 ILE HA H 76 3.697 3.729 -0.032 1
1 903 . 3 1 1 A 76 76 ILE C C 76 179.392 177.757 1.635 1
1 904 . 3 1 1 A 76 76 ILE CA C 76 66.060 65.223 0.837 1
1 905 . 3 1 1 A 76 76 ILE CB C 76 37.240 37.672 -0.432 1
1 909 . 3 1 1 A 76 76 ILE N N 76 121.537 121.359 0.178 1
1 910 . 3 1 1 A 77 77 ALA H H 77 7.735 8.354 -0.619 1
1 911 . 3 1 1 A 77 77 ALA HA H 77 4.132 4.079 0.053 1
1 915 . 3 1 1 A 77 77 ALA C C 77 179.326 179.988 -0.662 1
1 916 . 3 1 1 A 77 77 ALA CA C 77 54.910 55.278 -0.368 1
1 917 . 3 1 1 A 77 77 ALA CB C 77 17.950 18.014 -0.064 1
1 918 . 3 1 1 A 77 77 ALA N N 77 122.664 122.809 -0.145 1
1 919 . 3 1 1 A 78 78 SER H H 78 7.999 7.434 0.565 1
1 920 . 3 1 1 A 78 78 SER HA H 78 4.472 4.532 -0.060 1
1 923 . 3 1 1 A 78 78 SER C C 78 174.675 174.873 -0.198 1
1 924 . 3 1 1 A 78 78 SER CA C 78 59.260 58.468 0.792 1
1 925 . 3 1 1 A 78 78 SER CB C 78 64.070 63.821 0.249 1
1 926 . 3 1 1 A 78 78 SER N N 78 111.061 110.520 0.541 1
1 927 . 3 1 1 A 79 79 GLY H H 79 7.844 7.629 0.215 1
1 928 . 3 1 1 A 79 79 GLY HA2 H 79 4.233 3.963 0.270 1
1 929 . 3 1 1 A 79 79 GLY HA3 H 79 4.087 3.980 0.107 1
1 930 . 3 1 1 A 79 79 GLY C C 79 175.687 174.204 1.483 1
1 931 . 3 1 1 A 79 79 GLY CA C 79 46.470 45.896 0.574 1
1 932 . 3 1 1 A 79 79 GLY N N 79 109.909 109.179 0.730 1
1 933 . 3 1 1 A 80 80 THR H H 80 8.408 7.820 0.588 1
1 934 . 3 1 1 A 80 80 THR HA H 80 4.504 4.457 0.047 1
1 939 . 3 1 1 A 80 80 THR C C 80 174.793 174.237 0.556 1
1 940 . 3 1 1 A 80 80 THR CA C 80 60.280 61.742 -1.462 1
1 941 . 3 1 1 A 80 80 THR CB C 80 69.000 68.991 0.009 1
1 943 . 3 1 1 A 80 80 THR N N 80 109.416 115.914 -6.498 1
1 944 . 3 1 1 A 81 81 PHE H H 81 7.610 7.815 -0.205 1
1 945 . 3 1 1 A 81 81 PHE HA H 81 3.944 4.225 -0.281 1
1 950 . 3 1 1 A 81 81 PHE C C 81 176.462 176.900 -0.438 1
1 951 . 3 1 1 A 81 81 PHE CA C 81 59.940 59.839 0.101 1
1 952 . 3 1 1 A 81 81 PHE CB C 81 39.700 38.848 0.852 1
1 954 . 3 1 1 A 81 81 PHE N N 81 123.672 123.301 0.371 1
1 955 . 3 1 1 A 82 82 GLY H H 82 8.827 7.976 0.851 1
1 956 . 3 1 1 A 82 82 GLY HA2 H 82 4.000 3.389 0.611 1
1 957 . 3 1 1 A 82 82 GLY HA3 H 82 2.606 3.622 -1.016 1
1 958 . 3 1 1 A 82 82 GLY C C 82 172.388 173.776 -1.388 1
1 959 . 3 1 1 A 82 82 GLY CA C 82 44.590 45.797 -1.207 1
1 960 . 3 1 1 A 82 82 GLY N N 82 115.493 113.751 1.742 1
1 961 . 3 1 1 A 83 83 THR H H 83 7.265 7.540 -0.275 1
1 962 . 3 1 1 A 83 83 THR HA H 83 4.418 4.471 -0.053 1
1 967 . 3 1 1 A 83 83 THR C C 83 173.808 172.964 0.844 1
1 968 . 3 1 1 A 83 83 THR CA C 83 61.180 61.282 -0.102 1
1 969 . 3 1 1 A 83 83 THR CB C 83 70.020 69.936 0.084 1
1 971 . 3 1 1 A 83 83 THR N N 83 115.366 114.959 0.407 1
1 972 . 3 1 1 A 84 84 CYS H H 84 9.410 8.622 0.788 1
1 973 . 3 1 1 A 84 84 CYS HA H 84 4.339 4.747 -0.408 1
1 976 . 3 1 1 A 84 84 CYS C C 84 177.986 175.540 2.446 1
1 977 . 3 1 1 A 84 84 CYS CA C 84 60.080 58.401 1.679 1
1 978 . 3 1 1 A 84 84 CYS CB C 84 30.630 27.438 3.192 1
1 979 . 3 1 1 A 84 84 CYS N N 84 131.144 126.253 4.891 1
1 980 . 3 1 1 A 85 85 VAL H H 85 8.461 7.975 0.486 1
1 981 . 3 1 1 A 85 85 VAL HA H 85 3.918 3.709 0.209 1
1 989 . 3 1 1 A 85 85 VAL C C 85 175.608 177.432 -1.824 1
1 990 . 3 1 1 A 85 85 VAL CA C 85 64.080 65.215 -1.135 1
1 991 . 3 1 1 A 85 85 VAL CB C 85 31.730 31.242 0.488 1
1 994 . 3 1 1 A 85 85 VAL N N 85 126.221 124.955 1.266 1
1 995 . 3 1 1 A 86 86 LYS H H 86 8.924 8.060 0.864 1
1 996 . 3 1 1 A 86 86 LYS HA H 86 4.496 4.103 0.393 1
1 1005 . 3 1 1 A 86 86 LYS C C 86 177.277 177.651 -0.374 1
1 1006 . 3 1 1 A 86 86 LYS CA C 86 58.500 58.908 -0.408 1
1 1007 . 3 1 1 A 86 86 LYS CB C 86 33.780 32.390 1.390 1
1 1011 . 3 1 1 A 86 86 LYS N N 86 123.551 121.889 1.662 1
1 1012 . 3 1 1 A 87 87 CYS H H 87 8.264 7.498 0.766 1
1 1013 . 3 1 1 A 87 87 CYS HA H 87 4.925 4.628 0.297 1
1 1016 . 3 1 1 A 87 87 CYS C C 87 177.211 175.668 1.543 1
1 1017 . 3 1 1 A 87 87 CYS CA C 87 58.980 58.454 0.526 1
1 1018 . 3 1 1 A 87 87 CYS CB C 87 33.100 29.439 3.661 1
1 1019 . 3 1 1 A 87 87 CYS N N 87 117.502 114.574 2.928 1
1 1020 . 3 1 1 A 88 88 GLY H H 88 7.655 7.978 -0.323 1
1 1021 . 3 1 1 A 88 88 GLY HA2 H 88 4.159 3.952 0.207 1
1 1022 . 3 1 1 A 88 88 GLY HA3 H 88 3.729 3.953 -0.224 1
1 1023 . 3 1 1 A 88 88 GLY C C 88 173.558 174.204 -0.646 1
1 1024 . 3 1 1 A 88 88 GLY CA C 88 46.300 46.309 -0.009 1
1 1025 . 3 1 1 A 88 88 GLY N N 88 111.948 111.770 0.178 1
1 1026 . 3 1 1 A 89 89 LYS H H 89 8.721 7.597 1.124 1
1 1027 . 3 1 1 A 89 89 LYS HA H 89 4.315 4.680 -0.365 1
1 1036 . 3 1 1 A 89 89 LYS C C 89 176.659 175.086 1.573 1
1 1037 . 3 1 1 A 89 89 LYS CA C 89 56.860 54.230 2.630 1
1 1038 . 3 1 1 A 89 89 LYS CB C 89 33.540 34.254 -0.714 1
1 1042 . 3 1 1 A 89 89 LYS N N 89 123.614 118.880 4.734 1
1 1043 . 3 1 1 A 90 90 ARG H H 90 8.415 8.437 -0.022 1
1 1044 . 3 1 1 A 90 90 ARG HA H 90 4.299 4.629 -0.330 1
1 1051 . 3 1 1 A 90 90 ARG C C 90 176.041 176.174 -0.133 1
1 1052 . 3 1 1 A 90 90 ARG CA C 90 56.030 55.373 0.657 1
1 1053 . 3 1 1 A 90 90 ARG CB C 90 29.470 31.872 -2.402 1
1 1056 . 3 1 1 A 90 90 ARG N N 90 121.880 122.356 -0.476 1
1 1057 . 3 1 1 A 91 91 ILE H H 91 8.334 8.627 -0.293 1
1 1058 . 3 1 1 A 91 91 ILE HA H 91 3.668 4.028 -0.360 1
1 1068 . 3 1 1 A 91 91 ILE C C 91 175.003 176.619 -1.616 1
1 1069 . 3 1 1 A 91 91 ILE CA C 91 61.810 62.131 -0.321 1
1 1070 . 3 1 1 A 91 91 ILE CB C 91 38.920 38.043 0.877 1
1 1074 . 3 1 1 A 91 91 ILE N N 91 128.410 126.756 1.654 1
1 1075 . 3 1 1 A 92 92 SER H H 92 8.551 8.895 -0.344 1
1 1076 . 3 1 1 A 92 92 SER HA H 92 4.180 4.438 -0.258 1
1 1079 . 3 1 1 A 92 92 SER C C 92 175.108 175.019 0.089 1
1 1080 . 3 1 1 A 92 92 SER CA C 92 58.460 58.243 0.217 1
1 1081 . 3 1 1 A 92 92 SER CB C 92 64.180 64.126 0.054 1
1 1082 . 3 1 1 A 92 92 SER N N 92 124.170 120.663 3.507 1
1 1083 . 3 1 1 A 93 93 GLU H H 93 8.912 8.935 -0.023 1
1 1084 . 3 1 1 A 93 93 GLU HA H 93 3.939 4.000 -0.061 1
1 1089 . 3 1 1 A 93 93 GLU C C 93 178.144 177.966 0.178 1
1 1090 . 3 1 1 A 93 93 GLU CA C 93 60.080 59.453 0.627 1
1 1091 . 3 1 1 A 93 93 GLU CB C 93 29.960 29.314 0.646 1
1 1093 . 3 1 1 A 93 93 GLU N N 93 123.996 124.640 -0.644 1
1 1094 . 3 1 1 A 94 94 ASP H H 94 8.311 8.215 0.096 1
1 1095 . 3 1 1 A 94 94 ASP HA H 94 4.252 4.391 -0.139 1
1 1098 . 3 1 1 A 94 94 ASP C C 94 178.472 178.472 0.000 1
1 1099 . 3 1 1 A 94 94 ASP CA C 94 57.240 57.089 0.151 1
1 1100 . 3 1 1 A 94 94 ASP CB C 94 40.420 39.963 0.457 1
1 1101 . 3 1 1 A 94 94 ASP N N 94 116.432 120.260 -3.828 1
1 1102 . 3 1 1 A 95 95 ARG H H 95 7.365 7.859 -0.494 1
1 1103 . 3 1 1 A 95 95 ARG HA H 95 4.067 4.101 -0.034 1
1 1110 . 3 1 1 A 95 95 ARG C C 95 177.237 178.666 -1.429 1
1 1111 . 3 1 1 A 95 95 ARG CA C 95 58.870 58.692 0.178 1
1 1112 . 3 1 1 A 95 95 ARG CB C 95 29.100 29.994 -0.894 1
1 1115 . 3 1 1 A 95 95 ARG N N 95 121.517 120.681 0.836 1
1 1116 . 3 1 1 A 96 96 LEU H H 96 7.831 8.092 -0.261 1
1 1117 . 3 1 1 A 96 96 LEU HA H 96 3.735 3.768 -0.033 1
1 1127 . 3 1 1 A 96 96 LEU C C 96 177.855 179.593 -1.738 1
1 1128 . 3 1 1 A 96 96 LEU CA C 96 56.930 57.489 -0.559 1
1 1129 . 3 1 1 A 96 96 LEU CB C 96 41.300 40.870 0.430 1
1 1133 . 3 1 1 A 96 96 LEU N N 96 119.073 119.684 -0.611 1
1 1134 . 3 1 1 A 97 97 LYS H H 97 8.098 8.280 -0.182 1
1 1135 . 3 1 1 A 97 97 LYS HA H 97 4.014 4.286 -0.272 1
1 1144 . 3 1 1 A 97 97 LYS C C 97 178.433 178.655 -0.222 1
1 1145 . 3 1 1 A 97 97 LYS CA C 97 59.080 59.071 0.009 1
1 1146 . 3 1 1 A 97 97 LYS CB C 97 32.830 32.134 0.696 1
1 1150 . 3 1 1 A 97 97 LYS N N 97 114.647 118.468 -3.821 1
1 1151 . 3 1 1 A 98 98 ALA H H 98 7.011 7.401 -0.390 1
1 1152 . 3 1 1 A 98 98 ALA HA H 98 4.196 4.245 -0.049 1
1 1156 . 3 1 1 A 98 98 ALA C C 98 178.814 177.767 1.047 1
1 1157 . 3 1 1 A 98 98 ALA CA C 98 54.480 53.995 0.485 1
1 1158 . 3 1 1 A 98 98 ALA CB C 98 19.380 19.365 0.015 1
1 1159 . 3 1 1 A 98 98 ALA N N 98 119.536 120.576 -1.040 1
1 1160 . 3 1 1 A 99 99 VAL H H 99 8.133 7.627 0.506 1
1 1161 . 3 1 1 A 99 99 VAL HA H 99 4.098 3.989 0.109 1
1 1169 . 3 1 1 A 99 99 VAL CA C 99 58.260 59.116 -0.856 1
1 1170 . 3 1 1 A 99 99 VAL CB C 99 32.530 32.179 0.351 1
1 1173 . 3 1 1 A 99 99 VAL N N 99 114.735 115.189 -0.454 1
1 1174 . 3 1 1 A 100 100 PRO HA H 100 4.761 4.394 0.367 1
1 1181 . 3 1 1 A 100 100 PRO C C 100 175.437 177.061 -1.624 1
1 1182 . 3 1 1 A 100 100 PRO CA C 100 65.370 64.307 1.063 1
1 1183 . 3 1 1 A 100 100 PRO CB C 100 31.190 31.965 -0.775 1
1 1186 . 3 1 1 A 101 101 TYR H H 101 6.053 7.612 -1.559 1
1 1187 . 3 1 1 A 101 101 TYR HA H 101 4.463 4.684 -0.221 1
1 1194 . 3 1 1 A 101 101 TYR C C 101 175.871 174.197 1.674 1
1 1195 . 3 1 1 A 101 101 TYR CA C 101 53.920 57.143 -3.223 1
1 1196 . 3 1 1 A 101 101 TYR CB C 101 38.230 38.254 -0.024 1
1 1199 . 3 1 1 A 101 101 TYR N N 101 108.211 115.254 -7.043 1
1 1200 . 3 1 1 A 102 102 THR H H 102 7.466 7.512 -0.046 1
1 1201 . 3 1 1 A 102 102 THR HA H 102 4.384 4.776 -0.392 1
1 1206 . 3 1 1 A 102 102 THR CA C 102 60.030 57.846 2.184 1
1 1207 . 3 1 1 A 102 102 THR CB C 102 69.600 71.160 -1.560 1
1 1209 . 3 1 1 A 102 102 THR N N 102 120.556 115.924 4.632 1
1 1210 . 3 1 1 A 103 103 PRO HA H 103 4.244 4.399 -0.155 1
1 1217 . 3 1 1 A 103 103 PRO C C 103 176.344 175.709 0.635 1
1 1218 . 3 1 1 A 103 103 PRO CA C 103 62.400 63.534 -1.134 1
1 1219 . 3 1 1 A 103 103 PRO CB C 103 32.250 31.642 0.608 1
1 1222 . 3 1 1 A 104 104 PHE H H 104 7.365 6.746 0.619 1
1 1223 . 3 1 1 A 104 104 PHE HA H 104 6.207 5.116 1.091 1
1 1230 . 3 1 1 A 104 104 PHE C C 104 176.133 175.713 0.420 1
1 1231 . 3 1 1 A 104 104 PHE CA C 104 55.220 56.292 -1.072 1
1 1232 . 3 1 1 A 104 104 PHE CB C 104 44.480 41.529 2.951 1
1 1235 . 3 1 1 A 104 104 PHE N N 104 115.933 118.201 -2.268 1
1 1236 . 3 1 1 A 105 105 CYS H H 105 9.248 8.739 0.509 1
1 1237 . 3 1 1 A 105 105 CYS HA H 105 4.638 4.754 -0.116 1
1 1240 . 3 1 1 A 105 105 CYS C C 105 174.254 175.837 -1.583 1
1 1241 . 3 1 1 A 105 105 CYS CA C 105 58.060 57.673 0.387 1
1 1242 . 3 1 1 A 105 105 CYS CB C 105 31.250 30.272 0.978 1
1 1243 . 3 1 1 A 105 105 CYS N N 105 118.999 120.693 -1.694 1
1 1244 . 3 1 1 A 106 106 GLN H H 106 8.865 8.904 -0.039 1
1 1245 . 3 1 1 A 106 106 GLN HA H 106 3.611 4.003 -0.392 1
1 1252 . 3 1 1 A 106 106 GLN C C 106 177.250 177.625 -0.375 1
1 1253 . 3 1 1 A 106 106 GLN CA C 106 59.430 59.115 0.315 1
1 1254 . 3 1 1 A 106 106 GLN CB C 106 28.750 28.378 0.372 1
1 1256 . 3 1 1 A 106 106 GLN N N 106 119.606 122.302 -2.696 1
1 1258 . 3 1 1 A 107 107 GLU H H 107 8.134 8.609 -0.475 1
1 1259 . 3 1 1 A 107 107 GLU HA H 107 3.959 4.095 -0.136 1
1 1264 . 3 1 1 A 107 107 GLU C C 107 179.616 179.491 0.125 1
1 1265 . 3 1 1 A 107 107 GLU CA C 107 60.110 59.006 1.104 1
1 1266 . 3 1 1 A 107 107 GLU CB C 107 29.990 29.181 0.809 1
1 1268 . 3 1 1 A 107 107 GLU N N 107 119.554 118.768 0.786 1
1 1269 . 3 1 1 A 108 108 CYS H H 108 8.681 8.140 0.541 1
1 1270 . 3 1 1 A 108 108 CYS HA H 108 3.783 4.091 -0.308 1
1 1273 . 3 1 1 A 108 108 CYS C C 108 177.868 176.773 1.095 1
1 1274 . 3 1 1 A 108 108 CYS CA C 108 64.110 63.249 0.861 1
1 1275 . 3 1 1 A 108 108 CYS CB C 108 29.270 27.217 2.053 1
1 1276 . 3 1 1 A 108 108 CYS N N 108 123.406 118.685 4.721 1
1 1277 . 3 1 1 A 109 109 ALA H H 109 8.094 8.409 -0.315 1
1 1278 . 3 1 1 A 109 109 ALA HA H 109 3.693 4.055 -0.362 1
1 1282 . 3 1 1 A 109 109 ALA C C 109 178.591 180.046 -1.455 1
1 1283 . 3 1 1 A 109 109 ALA CA C 109 53.710 55.055 -1.345 1
1 1284 . 3 1 1 A 109 109 ALA CB C 109 18.430 18.299 0.131 1
1 1285 . 3 1 1 A 109 109 ALA N N 109 120.579 122.437 -1.858 1
1 1286 . 3 1 1 A 110 110 ALA H H 110 7.402 8.013 -0.611 1
1 1287 . 3 1 1 A 110 110 ALA HA H 110 4.111 4.156 -0.045 1
1 1291 . 3 1 1 A 110 110 ALA C C 110 177.408 177.966 -0.558 1
1 1292 . 3 1 1 A 110 110 ALA CA C 110 53.000 54.011 -1.011 1
1 1293 . 3 1 1 A 110 110 ALA CB C 110 18.710 18.338 0.372 1
1 1294 . 3 1 1 A 110 110 ALA N N 110 118.992 119.679 -0.687 1
1 1295 . 3 1 1 A 111 111 ALA H H 111 7.247 7.497 -0.250 1
1 1296 . 3 1 1 A 111 111 ALA HA H 111 4.300 4.477 -0.177 1
1 1300 . 3 1 1 A 111 111 ALA C C 111 176.488 177.200 -0.712 1
1 1301 . 3 1 1 A 111 111 ALA CA C 111 51.840 51.343 0.497 1
1 1302 . 3 1 1 A 111 111 ALA CB C 111 19.210 18.907 0.303 1
1 1303 . 3 1 1 A 111 111 ALA N N 111 120.857 118.586 2.271 1
1 19 . 4 1 1 A 2 2 ALA H H 2 8.460 8.640 -0.180 1
1 20 . 4 1 1 A 2 2 ALA HA H 2 4.304 3.970 0.334 1
1 24 . 4 1 1 A 2 2 ALA C C 2 178.183 178.320 -0.137 1
1 25 . 4 1 1 A 2 2 ALA CA C 2 52.760 52.894 -0.134 1
1 26 . 4 1 1 A 2 2 ALA CB C 2 19.150 17.493 1.657 1
1 27 . 4 1 1 A 2 2 ALA N N 2 125.375 120.705 4.670 1
1 28 . 4 1 1 A 3 3 GLY H H 3 8.343 8.225 0.118 1
1 29 . 4 1 1 A 3 3 GLY N N 3 108.577 110.107 -1.530 1
1 30 . 4 1 1 A 5 5 LYS HA H 5 4.355 4.612 -0.257 1
1 39 . 4 1 1 A 5 5 LYS CA C 5 56.170 57.575 -1.405 1
1 40 . 4 1 1 A 5 5 LYS CB C 5 33.170 34.265 -1.095 1
1 44 . 4 1 1 A 6 6 SER HA H 6 4.429 4.588 -0.159 1
1 47 . 4 1 1 A 6 6 SER CA C 6 58.390 57.552 0.838 1
1 48 . 4 1 1 A 6 6 SER CB C 6 64.040 62.804 1.236 1
1 49 . 4 1 1 A 7 7 MET HA H 7 4.435 5.051 -0.616 1
1 57 . 4 1 1 A 7 7 MET CA C 7 55.610 55.473 0.137 1
1 58 . 4 1 1 A 7 7 MET CB C 7 33.550 34.007 -0.457 1
1 61 . 4 1 1 A 8 8 ASN HA H 8 4.837 4.918 -0.081 1
1 66 . 4 1 1 A 8 8 ASN C C 8 175.910 175.192 0.718 1
1 67 . 4 1 1 A 8 8 ASN CA C 8 52.310 52.109 0.201 1
1 68 . 4 1 1 A 8 8 ASN CB C 8 38.190 36.426 1.764 1
1 70 . 4 1 1 A 9 9 VAL H H 9 8.400 8.263 0.137 1
1 71 . 4 1 1 A 9 9 VAL HA H 9 3.908 3.890 0.018 1
1 79 . 4 1 1 A 9 9 VAL C C 9 176.738 177.558 -0.820 1
1 80 . 4 1 1 A 9 9 VAL CA C 9 65.550 67.019 -1.469 1
1 81 . 4 1 1 A 9 9 VAL CB C 9 31.970 31.929 0.041 1
1 84 . 4 1 1 A 9 9 VAL N N 9 121.216 123.674 -2.458 1
1 85 . 4 1 1 A 10 10 GLU H H 10 8.596 8.435 0.161 1
1 86 . 4 1 1 A 10 10 GLU HA H 10 4.077 3.844 0.233 1
1 91 . 4 1 1 A 10 10 GLU C C 10 178.985 178.816 0.169 1
1 92 . 4 1 1 A 10 10 GLU CA C 10 59.390 59.957 -0.567 1
1 93 . 4 1 1 A 10 10 GLU CB C 10 29.000 29.303 -0.303 1
1 95 . 4 1 1 A 10 10 GLU N N 10 121.274 120.760 0.514 1
1 96 . 4 1 1 A 11 11 SER H H 11 7.841 7.957 -0.116 1
1 97 . 4 1 1 A 11 11 SER HA H 11 4.138 4.092 0.046 1
1 100 . 4 1 1 A 11 11 SER C C 11 176.817 176.312 0.505 1
1 101 . 4 1 1 A 11 11 SER CA C 11 60.790 62.230 -1.440 1
1 102 . 4 1 1 A 11 11 SER CB C 11 62.470 63.099 -0.629 1
1 103 . 4 1 1 A 11 11 SER N N 11 115.238 116.659 -1.421 1
1 104 . 4 1 1 A 12 12 TYR H H 12 7.284 7.315 -0.031 1
1 105 . 4 1 1 A 12 12 TYR HA H 12 4.104 4.358 -0.254 1
1 112 . 4 1 1 A 12 12 TYR C C 12 177.132 178.135 -1.003 1
1 113 . 4 1 1 A 12 12 TYR CA C 12 62.060 61.178 0.882 1
1 114 . 4 1 1 A 12 12 TYR CB C 12 38.710 37.877 0.833 1
1 117 . 4 1 1 A 12 12 TYR N N 12 120.370 119.953 0.417 1
1 118 . 4 1 1 A 13 13 GLU H H 13 8.490 8.464 0.026 1
1 119 . 4 1 1 A 13 13 GLU HA H 13 3.432 3.849 -0.417 1
1 124 . 4 1 1 A 13 13 GLU C C 13 177.303 178.583 -1.280 1
1 125 . 4 1 1 A 13 13 GLU CA C 13 60.660 59.496 1.164 1
1 126 . 4 1 1 A 13 13 GLU CB C 13 29.200 28.830 0.370 1
1 128 . 4 1 1 A 13 13 GLU N N 13 120.162 120.731 -0.569 1
1 129 . 4 1 1 A 14 14 LYS H H 14 7.454 7.871 -0.417 1
1 130 . 4 1 1 A 14 14 LYS HA H 14 3.900 4.069 -0.169 1
1 139 . 4 1 1 A 14 14 LYS C C 14 178.249 178.718 -0.469 1
1 140 . 4 1 1 A 14 14 LYS CA C 14 59.620 58.958 0.662 1
1 141 . 4 1 1 A 14 14 LYS CB C 14 32.420 32.241 0.179 1
1 145 . 4 1 1 A 14 14 LYS N N 14 117.838 118.176 -0.338 1
1 146 . 4 1 1 A 15 15 ILE H H 15 7.409 7.590 -0.181 1
1 147 . 4 1 1 A 15 15 ILE HA H 15 3.822 3.967 -0.145 1
1 157 . 4 1 1 A 15 15 ILE C C 15 179.668 178.025 1.643 1
1 158 . 4 1 1 A 15 15 ILE CA C 15 65.030 63.174 1.856 1
1 159 . 4 1 1 A 15 15 ILE CB C 15 38.950 37.675 1.275 1
1 163 . 4 1 1 A 15 15 ILE N N 15 118.597 120.580 -1.983 1
1 164 . 4 1 1 A 16 16 LEU H H 16 8.407 8.073 0.334 1
1 165 . 4 1 1 A 16 16 LEU HA H 16 3.992 3.995 -0.003 1
1 175 . 4 1 1 A 16 16 LEU C C 16 178.512 179.142 -0.630 1
1 176 . 4 1 1 A 16 16 LEU CA C 16 58.230 57.951 0.279 1
1 177 . 4 1 1 A 16 16 LEU CB C 16 42.130 41.195 0.935 1
1 181 . 4 1 1 A 16 16 LEU N N 16 120.642 121.099 -0.457 1
1 182 . 4 1 1 A 17 17 ARG H H 17 8.789 7.966 0.823 1
1 183 . 4 1 1 A 17 17 ARG HA H 17 3.917 4.340 -0.423 1
1 190 . 4 1 1 A 17 17 ARG C C 17 179.602 178.631 0.971 1
1 191 . 4 1 1 A 17 17 ARG CA C 17 60.080 59.284 0.796 1
1 192 . 4 1 1 A 17 17 ARG CB C 17 29.620 29.753 -0.133 1
1 195 . 4 1 1 A 17 17 ARG N N 17 119.196 119.487 -0.291 1
1 196 . 4 1 1 A 18 18 ASP H H 18 8.638 8.041 0.597 1
1 197 . 4 1 1 A 18 18 ASP HA H 18 4.418 4.467 -0.049 1
1 200 . 4 1 1 A 18 18 ASP C C 18 179.116 178.845 0.271 1
1 201 . 4 1 1 A 18 18 ASP CA C 18 57.330 56.900 0.430 1
1 202 . 4 1 1 A 18 18 ASP CB C 18 39.700 40.319 -0.619 1
1 203 . 4 1 1 A 18 18 ASP N N 18 121.383 120.107 1.276 1
1 204 . 4 1 1 A 19 19 ARG H H 19 7.947 7.924 0.023 1
1 205 . 4 1 1 A 19 19 ARG HA H 19 4.180 4.121 0.059 1
1 212 . 4 1 1 A 19 19 ARG C C 19 177.855 179.062 -1.207 1
1 213 . 4 1 1 A 19 19 ARG CA C 19 57.680 59.696 -2.016 1
1 214 . 4 1 1 A 19 19 ARG CB C 19 29.540 30.030 -0.490 1
1 217 . 4 1 1 A 19 19 ARG N N 19 121.506 120.036 1.470 1
1 218 . 4 1 1 A 20 20 GLN H H 20 8.691 8.302 0.389 1
1 219 . 4 1 1 A 20 20 GLN HA H 20 3.589 3.981 -0.392 1
1 226 . 4 1 1 A 20 20 GLN C C 20 176.896 178.123 -1.227 1
1 227 . 4 1 1 A 20 20 GLN CA C 20 59.620 58.646 0.974 1
1 228 . 4 1 1 A 20 20 GLN CB C 20 30.020 28.055 1.965 1
1 230 . 4 1 1 A 20 20 GLN N N 20 120.162 117.750 2.412 1
1 232 . 4 1 1 A 21 21 ARG H H 21 7.959 7.736 0.223 1
1 233 . 4 1 1 A 21 21 ARG HA H 21 3.973 4.279 -0.306 1
1 240 . 4 1 1 A 21 21 ARG C C 21 178.985 179.123 -0.138 1
1 241 . 4 1 1 A 21 21 ARG CA C 21 59.800 59.762 0.038 1
1 242 . 4 1 1 A 21 21 ARG CB C 21 29.980 30.268 -0.288 1
1 245 . 4 1 1 A 21 21 ARG N N 21 117.219 119.619 -2.400 1
1 246 . 4 1 1 A 22 22 GLU H H 22 7.700 8.108 -0.408 1
1 247 . 4 1 1 A 22 22 GLU HA H 22 4.076 4.130 -0.054 1
1 252 . 4 1 1 A 22 22 GLU C C 22 179.090 178.934 0.156 1
1 253 . 4 1 1 A 22 22 GLU CA C 22 58.950 59.049 -0.099 1
1 254 . 4 1 1 A 22 22 GLU CB C 22 29.580 28.926 0.654 1
1 256 . 4 1 1 A 22 22 GLU N N 22 119.703 118.284 1.419 1
1 257 . 4 1 1 A 23 23 LEU H H 23 8.264 7.976 0.288 1
1 258 . 4 1 1 A 23 23 LEU HA H 23 3.979 3.985 -0.006 1
1 268 . 4 1 1 A 23 23 LEU C C 23 179.234 178.963 0.271 1
1 269 . 4 1 1 A 23 23 LEU CA C 23 57.990 57.874 0.116 1
1 270 . 4 1 1 A 23 23 LEU CB C 23 42.370 42.256 0.114 1
1 274 . 4 1 1 A 23 23 LEU N N 23 119.988 121.774 -1.786 1
1 275 . 4 1 1 A 24 24 TYR H H 24 8.688 8.408 0.280 1
1 276 . 4 1 1 A 24 24 TYR HA H 24 4.084 4.398 -0.314 1
1 283 . 4 1 1 A 24 24 TYR C C 24 178.630 179.002 -0.372 1
1 284 . 4 1 1 A 24 24 TYR CA C 24 61.670 61.390 0.280 1
1 285 . 4 1 1 A 24 24 TYR CB C 24 37.780 37.923 -0.143 1
1 288 . 4 1 1 A 24 24 TYR N N 24 119.101 118.136 0.965 1
1 289 . 4 1 1 A 25 25 ARG H H 25 7.945 8.273 -0.328 1
1 290 . 4 1 1 A 25 25 ARG HA H 25 4.043 4.156 -0.113 1
1 297 . 4 1 1 A 25 25 ARG C C 25 178.683 178.605 0.078 1
1 298 . 4 1 1 A 25 25 ARG CA C 25 59.460 59.084 0.376 1
1 299 . 4 1 1 A 25 25 ARG CB C 25 30.160 30.126 0.034 1
1 302 . 4 1 1 A 25 25 ARG N N 25 118.297 118.513 -0.216 1
1 303 . 4 1 1 A 26 26 ARG H H 26 7.726 7.639 0.087 1
1 304 . 4 1 1 A 26 26 ARG HA H 26 4.067 4.113 -0.046 1
1 311 . 4 1 1 A 26 26 ARG C C 26 177.986 178.705 -0.719 1
1 312 . 4 1 1 A 26 26 ARG CA C 26 58.300 58.847 -0.547 1
1 313 . 4 1 1 A 26 26 ARG CB C 26 30.670 30.086 0.584 1
1 316 . 4 1 1 A 26 26 ARG N N 26 118.100 119.769 -1.669 1
1 317 . 4 1 1 A 27 27 LEU H H 27 7.971 8.033 -0.062 1
1 318 . 4 1 1 A 27 27 LEU HA H 27 4.095 4.140 -0.045 1
1 328 . 4 1 1 A 27 27 LEU C C 27 177.461 177.692 -0.231 1
1 329 . 4 1 1 A 27 27 LEU CA C 27 56.260 56.962 -0.702 1
1 330 . 4 1 1 A 27 27 LEU CB C 27 42.260 41.575 0.685 1
1 334 . 4 1 1 A 27 27 LEU N N 27 118.633 116.586 2.047 1
1 335 . 4 1 1 A 28 28 HIS H H 28 7.863 7.728 0.135 1
1 336 . 4 1 1 A 28 28 HIS HA H 28 4.482 4.815 -0.333 1
1 341 . 4 1 1 A 28 28 HIS C C 28 174.741 176.249 -1.508 1
1 342 . 4 1 1 A 28 28 HIS CA C 28 56.310 56.096 0.214 1
1 343 . 4 1 1 A 28 28 HIS CB C 28 29.300 29.446 -0.146 1
1 346 . 4 1 1 A 28 28 HIS N N 28 116.767 117.481 -0.714 1
1 347 . 4 1 1 A 29 29 LYS H H 29 7.893 8.367 -0.474 1
1 348 . 4 1 1 A 29 29 LYS HA H 29 4.172 3.985 0.187 1
1 357 . 4 1 1 A 29 29 LYS C C 29 176.357 178.120 -1.763 1
1 358 . 4 1 1 A 29 29 LYS CA C 29 56.830 58.770 -1.940 1
1 359 . 4 1 1 A 29 29 LYS CB C 29 32.000 31.745 0.255 1
1 363 . 4 1 1 A 29 29 LYS N N 29 120.331 118.728 1.603 1
1 364 . 4 1 1 A 30 30 ILE H H 30 7.995 7.700 0.295 1
1 365 . 4 1 1 A 30 30 ILE HA H 30 4.085 3.897 0.188 1
1 375 . 4 1 1 A 30 30 ILE C C 30 176.344 177.219 -0.875 1
1 376 . 4 1 1 A 30 30 ILE CA C 30 61.440 64.336 -2.896 1
1 377 . 4 1 1 A 30 30 ILE CB C 30 39.020 37.437 1.583 1
1 381 . 4 1 1 A 30 30 ILE N N 30 120.440 116.576 3.864 1
1 382 . 4 1 1 A 31 31 GLU H H 31 8.367 8.250 0.117 1
1 383 . 4 1 1 A 31 31 GLU HA H 31 4.159 4.649 -0.490 1
1 388 . 4 1 1 A 31 31 GLU C C 31 176.265 176.549 -0.284 1
1 389 . 4 1 1 A 31 31 GLU CA C 31 56.890 56.918 -0.028 1
1 390 . 4 1 1 A 31 31 GLU CB C 31 30.050 31.721 -1.671 1
1 392 . 4 1 1 A 31 31 GLU N N 31 124.043 119.093 4.950 1
1 393 . 4 1 1 A 32 32 ALA H H 32 8.138 7.725 0.413 1
1 394 . 4 1 1 A 32 32 ALA HA H 32 4.175 4.343 -0.168 1
1 398 . 4 1 1 A 32 32 ALA C C 32 177.198 176.788 0.410 1
1 399 . 4 1 1 A 32 32 ALA CA C 32 52.620 51.812 0.808 1
1 400 . 4 1 1 A 32 32 ALA CB C 32 19.490 18.528 0.962 1
1 401 . 4 1 1 A 32 32 ALA N N 32 124.170 122.958 1.212 1
1 402 . 4 1 1 A 33 33 ASP H H 33 8.157 8.585 -0.428 1
1 403 . 4 1 1 A 33 33 ASP HA H 33 4.467 4.720 -0.253 1
1 406 . 4 1 1 A 33 33 ASP C C 33 175.910 175.420 0.490 1
1 407 . 4 1 1 A 33 33 ASP CA C 33 54.500 55.246 -0.746 1
1 408 . 4 1 1 A 33 33 ASP CB C 33 40.750 43.256 -2.506 1
1 409 . 4 1 1 A 33 33 ASP N N 33 118.904 126.010 -7.106 1
1 410 . 4 1 1 A 34 34 PHE H H 34 7.884 8.160 -0.276 1
1 411 . 4 1 1 A 34 34 PHE HA H 34 4.514 4.795 -0.281 1
1 418 . 4 1 1 A 34 34 PHE C C 34 175.319 175.860 -0.541 1
1 419 . 4 1 1 A 34 34 PHE CA C 34 57.610 56.335 1.275 1
1 420 . 4 1 1 A 34 34 PHE CB C 34 39.840 37.178 2.662 1
1 423 . 4 1 1 A 34 34 PHE N N 34 119.439 117.454 1.985 1
1 424 . 4 1 1 A 35 35 GLU H H 35 8.084 8.602 -0.518 1
1 425 . 4 1 1 A 35 35 GLU HA H 35 4.190 4.330 -0.140 1
1 430 . 4 1 1 A 35 35 GLU C C 35 175.634 176.894 -1.260 1
1 431 . 4 1 1 A 35 35 GLU CA C 35 56.140 58.506 -2.366 1
1 432 . 4 1 1 A 35 35 GLU CB C 35 30.810 30.449 0.361 1
1 434 . 4 1 1 A 35 35 GLU N N 35 122.340 124.680 -2.340 1
1 435 . 4 1 1 A 36 36 GLU H H 36 8.172 8.321 -0.149 1
1 436 . 4 1 1 A 36 36 GLU HA H 36 4.442 4.794 -0.352 1
1 441 . 4 1 1 A 36 36 GLU CA C 36 54.300 53.273 1.027 1
1 442 . 4 1 1 A 36 36 GLU CB C 36 29.490 30.776 -1.286 1
1 444 . 4 1 1 A 36 36 GLU N N 36 123.278 119.023 4.255 1
1 445 . 4 1 1 A 37 37 PRO HA H 37 4.339 4.527 -0.188 1
1 452 . 4 1 1 A 37 37 PRO C C 37 175.818 177.156 -1.338 1
1 453 . 4 1 1 A 37 37 PRO CA C 37 62.800 65.388 -2.588 1
1 454 . 4 1 1 A 37 37 PRO CB C 37 31.900 31.856 0.044 1
1 457 . 4 1 1 A 38 38 ARG H H 38 8.412 7.589 0.823 1
1 458 . 4 1 1 A 38 38 ARG HA H 38 4.255 4.647 -0.392 1
1 465 . 4 1 1 A 38 38 ARG C C 38 175.818 175.752 0.066 1
1 466 . 4 1 1 A 38 38 ARG CA C 38 55.350 55.186 0.164 1
1 467 . 4 1 1 A 38 38 ARG CB C 38 31.010 30.255 0.755 1
1 470 . 4 1 1 A 38 38 ARG N N 38 121.791 113.071 8.720 1
1 471 . 4 1 1 A 39 39 ASN H H 39 8.624 8.290 0.334 1
1 472 . 4 1 1 A 39 39 ASN HA H 39 4.906 5.015 -0.109 1
1 477 . 4 1 1 A 39 39 ASN CA C 39 51.100 51.344 -0.244 1
1 478 . 4 1 1 A 39 39 ASN CB C 39 38.560 38.211 0.349 1
1 479 . 4 1 1 A 39 39 ASN N N 39 121.594 119.132 2.462 1
1 481 . 4 1 1 A 40 40 PRO HA H 40 4.310 4.459 -0.149 1
1 488 . 4 1 1 A 40 40 PRO C C 40 176.896 176.507 0.389 1
1 489 . 4 1 1 A 40 40 PRO CA C 40 63.970 62.889 1.081 1
1 490 . 4 1 1 A 40 40 PRO CB C 40 32.210 32.045 0.165 1
1 493 . 4 1 1 A 41 41 ASP H H 41 8.219 8.339 -0.120 1
1 494 . 4 1 1 A 41 41 ASP HA H 41 4.516 4.560 -0.044 1
1 497 . 4 1 1 A 41 41 ASP C C 41 176.252 175.608 0.644 1
1 498 . 4 1 1 A 41 41 ASP CA C 41 54.740 53.941 0.799 1
1 499 . 4 1 1 A 41 41 ASP CB C 41 41.100 39.829 1.271 1
1 500 . 4 1 1 A 41 41 ASP N N 41 118.818 122.330 -3.512 1
1 501 . 4 1 1 A 42 42 ASP H H 42 7.949 8.682 -0.733 1
1 502 . 4 1 1 A 42 42 ASP HA H 42 4.516 4.816 -0.300 1
1 505 . 4 1 1 A 42 42 ASP C C 42 176.567 177.315 -0.748 1
1 506 . 4 1 1 A 42 42 ASP CA C 42 54.910 55.930 -1.020 1
1 507 . 4 1 1 A 42 42 ASP CB C 42 41.100 41.976 -0.876 1
1 508 . 4 1 1 A 42 42 ASP N N 42 120.104 125.486 -5.382 1
1 509 . 4 1 1 A 43 43 GLU H H 43 8.179 8.056 0.123 1
1 510 . 4 1 1 A 43 43 GLU HA H 43 4.153 4.172 -0.019 1
1 515 . 4 1 1 A 43 43 GLU C C 43 176.488 175.896 0.592 1
1 516 . 4 1 1 A 43 43 GLU CA C 43 57.070 58.815 -1.745 1
1 517 . 4 1 1 A 43 43 GLU CB C 43 30.430 30.239 0.191 1
1 519 . 4 1 1 A 43 43 GLU N N 43 121.153 119.787 1.366 1
1 520 . 4 1 1 A 44 44 ASP H H 44 8.325 8.066 0.259 1
1 521 . 4 1 1 A 44 44 ASP HA H 44 4.517 4.342 0.175 1
1 524 . 4 1 1 A 44 44 ASP C C 44 176.462 175.970 0.492 1
1 525 . 4 1 1 A 44 44 ASP CA C 44 54.360 55.205 -0.845 1
1 526 . 4 1 1 A 44 44 ASP CB C 44 41.030 38.978 2.052 1
1 527 . 4 1 1 A 44 44 ASP N N 44 121.100 118.420 2.680 1
1 528 . 4 1 1 A 45 45 ARG H H 45 8.106 8.025 0.081 1
1 529 . 4 1 1 A 45 45 ARG HA H 45 4.252 3.907 0.345 1
1 536 . 4 1 1 A 45 45 ARG C C 45 176.475 175.880 0.595 1
1 537 . 4 1 1 A 45 45 ARG CA C 45 56.000 59.543 -3.543 1
1 538 . 4 1 1 A 45 45 ARG CB C 45 30.360 30.093 0.267 1
1 541 . 4 1 1 A 45 45 ARG N N 45 121.258 119.988 1.270 1
1 542 . 4 1 1 A 46 46 ALA H H 46 8.235 7.882 0.353 1
1 543 . 4 1 1 A 46 46 ALA HA H 46 4.220 4.010 0.210 1
1 547 . 4 1 1 A 46 46 ALA C C 46 178.196 176.220 1.976 1
1 548 . 4 1 1 A 46 46 ALA CA C 46 53.070 54.303 -1.233 1
1 549 . 4 1 1 A 46 46 ALA CB C 46 18.840 17.933 0.907 1
1 550 . 4 1 1 A 46 46 ALA N N 46 124.506 121.094 3.412 1
1 551 . 4 1 1 A 47 47 SER H H 47 8.150 8.502 -0.352 1
1 552 . 4 1 1 A 47 47 SER HA H 47 4.331 4.699 -0.368 1
1 555 . 4 1 1 A 47 47 SER C C 47 174.727 172.972 1.755 1
1 556 . 4 1 1 A 47 47 SER CA C 47 58.820 57.343 1.477 1
1 557 . 4 1 1 A 47 47 SER CB C 47 63.520 63.936 -0.416 1
1 558 . 4 1 1 A 47 47 SER N N 47 114.398 114.533 -0.135 1
1 559 . 4 1 1 A 48 48 GLU H H 48 8.235 7.504 0.731 1
1 560 . 4 1 1 A 48 48 GLU HA H 48 4.244 4.310 -0.066 1
1 565 . 4 1 1 A 48 48 GLU C C 48 176.396 175.965 0.431 1
1 566 . 4 1 1 A 48 48 GLU CA C 48 56.550 56.585 -0.035 1
1 567 . 4 1 1 A 48 48 GLU CB C 48 30.330 29.733 0.597 1
1 569 . 4 1 1 A 48 48 GLU N N 48 122.340 119.804 2.536 1
1 570 . 4 1 1 A 49 49 ARG H H 49 8.174 8.266 -0.092 1
1 571 . 4 1 1 A 49 49 ARG HA H 49 4.339 4.171 0.168 1
1 578 . 4 1 1 A 49 49 ARG C C 49 176.344 175.310 1.034 1
1 579 . 4 1 1 A 49 49 ARG CA C 49 55.900 55.798 0.102 1
1 580 . 4 1 1 A 49 49 ARG CB C 49 30.980 29.132 1.848 1
1 583 . 4 1 1 A 49 49 ARG N N 49 121.431 121.703 -0.272 1
1 584 . 4 1 1 A 50 50 SER H H 50 8.389 8.080 0.309 1
1 585 . 4 1 1 A 50 50 SER HA H 50 4.392 3.322 1.070 1
1 588 . 4 1 1 A 50 50 SER C C 50 174.517 174.205 0.312 1
1 589 . 4 1 1 A 50 50 SER CA C 50 58.230 58.032 0.198 1
1 590 . 4 1 1 A 50 50 SER CB C 50 64.010 62.743 1.267 1
1 591 . 4 1 1 A 50 50 SER N N 50 117.321 118.148 -0.827 1
1 592 . 4 1 1 A 51 51 ASN H H 51 8.488 8.843 -0.355 1
1 593 . 4 1 1 A 51 51 ASN HA H 51 4.657 4.440 0.217 1
1 598 . 4 1 1 A 51 51 ASN C C 51 175.122 173.448 1.674 1
1 599 . 4 1 1 A 51 51 ASN CA C 51 53.780 54.102 -0.322 1
1 600 . 4 1 1 A 51 51 ASN CB C 51 38.770 36.990 1.780 1
1 601 . 4 1 1 A 51 51 ASN N N 51 120.903 117.510 3.393 1
1 603 . 4 1 1 A 52 52 ASP H H 52 8.231 8.080 0.151 1
1 604 . 4 1 1 A 52 52 ASP HA H 52 4.517 4.888 -0.371 1
1 607 . 4 1 1 A 52 52 ASP C C 52 176.291 175.571 0.720 1
1 608 . 4 1 1 A 52 52 ASP CA C 52 54.500 52.957 1.543 1
1 609 . 4 1 1 A 52 52 ASP CB C 52 41.170 41.656 -0.486 1
1 610 . 4 1 1 A 52 52 ASP N N 52 120.236 119.838 0.398 1
1 611 . 4 1 1 A 53 53 GLU H H 53 8.139 8.872 -0.733 1
1 612 . 4 1 1 A 53 53 GLU HA H 53 4.194 4.134 0.060 1
1 617 . 4 1 1 A 53 53 GLU C C 53 176.606 177.764 -1.158 1
1 618 . 4 1 1 A 53 53 GLU CA C 53 56.930 58.733 -1.803 1
1 619 . 4 1 1 A 53 53 GLU CB C 53 30.500 28.529 1.971 1
1 621 . 4 1 1 A 53 53 GLU N N 53 120.655 126.394 -5.739 1
1 622 . 4 1 1 A 54 54 VAL H H 54 8.061 8.666 -0.605 1
1 623 . 4 1 1 A 54 54 VAL HA H 54 3.978 3.772 0.206 1
1 631 . 4 1 1 A 54 54 VAL C C 54 176.278 176.380 -0.102 1
1 632 . 4 1 1 A 54 54 VAL CA C 54 62.880 66.591 -3.711 1
1 633 . 4 1 1 A 54 54 VAL CB C 54 32.660 31.747 0.913 1
1 636 . 4 1 1 A 54 54 VAL N N 54 121.320 121.144 0.176 1
1 637 . 4 1 1 A 55 55 LEU H H 55 8.209 8.001 0.208 1
1 638 . 4 1 1 A 55 55 LEU HA H 55 4.273 4.055 0.218 1
1 648 . 4 1 1 A 55 55 LEU C C 55 177.355 176.958 0.397 1
1 649 . 4 1 1 A 55 55 LEU CA C 55 55.290 55.495 -0.205 1
1 650 . 4 1 1 A 55 55 LEU CB C 55 42.190 40.652 1.538 1
1 654 . 4 1 1 A 55 55 LEU N N 55 125.139 122.039 3.100 1
1 655 . 4 1 1 A 56 56 ASP H H 56 8.204 8.518 -0.314 1
1 656 . 4 1 1 A 56 56 ASP HA H 56 4.516 4.251 0.265 1
1 659 . 4 1 1 A 56 56 ASP C C 56 176.633 177.876 -1.243 1
1 660 . 4 1 1 A 56 56 ASP CA C 56 54.360 56.820 -2.460 1
1 661 . 4 1 1 A 56 56 ASP CB C 56 41.070 40.588 0.482 1
1 662 . 4 1 1 A 56 56 ASP N N 56 121.154 128.309 -7.155 1
1 663 . 4 1 1 A 57 57 GLU H H 57 8.316 8.073 0.243 1
1 664 . 4 1 1 A 57 57 GLU HA H 57 4.164 4.272 -0.108 1
1 669 . 4 1 1 A 57 57 GLU C C 57 177.158 178.460 -1.302 1
1 670 . 4 1 1 A 57 57 GLU CA C 57 57.650 58.111 -0.461 1
1 671 . 4 1 1 A 57 57 GLU CB C 57 30.020 29.002 1.018 1
1 673 . 4 1 1 A 57 57 GLU N N 57 120.771 117.745 3.026 1
1 674 . 4 1 1 A 58 58 LEU H H 58 8.204 7.528 0.676 1
1 675 . 4 1 1 A 58 58 LEU HA H 58 4.231 4.306 -0.075 1
1 685 . 4 1 1 A 58 58 LEU C C 58 178.538 177.440 1.098 1
1 686 . 4 1 1 A 58 58 LEU CA C 58 55.690 57.188 -1.498 1
1 687 . 4 1 1 A 58 58 LEU CB C 58 42.230 42.502 -0.272 1
1 691 . 4 1 1 A 58 58 LEU N N 58 120.716 120.463 0.253 1
1 692 . 4 1 1 A 59 59 GLY H H 59 8.212 7.588 0.624 1
1 693 . 4 1 1 A 59 59 GLY HA2 H 59 3.917 4.083 -0.166 1
1 694 . 4 1 1 A 59 59 GLY HA3 H 59 3.917 4.089 -0.172 1
1 695 . 4 1 1 A 59 59 GLY C C 59 174.294 174.872 -0.578 1
1 696 . 4 1 1 A 59 59 GLY CA C 59 45.550 44.517 1.033 1
1 697 . 4 1 1 A 59 59 GLY N N 59 108.670 104.956 3.714 1
1 698 . 4 1 1 A 60 60 GLN H H 60 8.310 8.664 -0.354 1
1 699 . 4 1 1 A 60 60 GLN HA H 60 4.079 3.898 0.181 1
1 706 . 4 1 1 A 60 60 GLN C C 60 177.171 177.079 0.092 1
1 707 . 4 1 1 A 60 60 GLN CA C 60 57.590 58.824 -1.234 1
1 708 . 4 1 1 A 60 60 GLN CB C 60 28.960 28.806 0.154 1
1 710 . 4 1 1 A 60 60 GLN N N 60 120.662 120.480 0.182 1
1 712 . 4 1 1 A 61 61 VAL H H 61 8.136 8.216 -0.080 1
1 713 . 4 1 1 A 61 61 VAL HA H 61 3.971 3.712 0.259 1
1 721 . 4 1 1 A 61 61 VAL C C 61 178.262 178.068 0.194 1
1 722 . 4 1 1 A 61 61 VAL CA C 61 64.420 65.908 -1.488 1
1 723 . 4 1 1 A 61 61 VAL CB C 61 32.110 30.904 1.206 1
1 726 . 4 1 1 A 61 61 VAL N N 61 119.154 118.807 0.347 1
1 727 . 4 1 1 A 62 62 GLY H H 62 8.183 8.329 -0.146 1
1 728 . 4 1 1 A 62 62 GLY HA2 H 62 3.966 3.576 0.390 1
1 729 . 4 1 1 A 62 62 GLY HA3 H 62 3.783 3.583 0.200 1
1 730 . 4 1 1 A 62 62 GLY C C 62 174.872 175.704 -0.832 1
1 731 . 4 1 1 A 62 62 GLY CA C 62 46.780 47.091 -0.311 1
1 732 . 4 1 1 A 62 62 GLY N N 62 110.813 108.650 2.163 1
1 733 . 4 1 1 A 63 63 GLN H H 63 8.235 7.861 0.374 1
1 734 . 4 1 1 A 63 63 GLN HA H 63 3.966 3.954 0.012 1
1 741 . 4 1 1 A 63 63 GLN C C 63 178.170 178.197 -0.027 1
1 742 . 4 1 1 A 63 63 GLN CA C 63 58.990 58.580 0.410 1
1 743 . 4 1 1 A 63 63 GLN CB C 63 28.500 28.263 0.237 1
1 745 . 4 1 1 A 63 63 GLN N N 63 120.667 121.318 -0.651 1
1 747 . 4 1 1 A 64 64 ASP H H 64 8.386 8.188 0.198 1
1 748 . 4 1 1 A 64 64 ASP HA H 64 4.347 4.301 0.046 1
1 751 . 4 1 1 A 64 64 ASP C C 64 178.669 178.608 0.061 1
1 752 . 4 1 1 A 64 64 ASP CA C 64 56.860 57.508 -0.648 1
1 753 . 4 1 1 A 64 64 ASP CB C 64 39.970 41.089 -1.119 1
1 754 . 4 1 1 A 64 64 ASP N N 64 120.058 119.880 0.178 1
1 755 . 4 1 1 A 65 65 GLU H H 65 7.992 7.684 0.308 1
1 756 . 4 1 1 A 65 65 GLU HA H 65 3.542 4.076 -0.534 1
1 761 . 4 1 1 A 65 65 GLU C C 65 177.842 178.997 -1.155 1
1 762 . 4 1 1 A 65 65 GLU CA C 65 59.560 58.679 0.881 1
1 763 . 4 1 1 A 65 65 GLU CB C 65 29.100 29.479 -0.379 1
1 765 . 4 1 1 A 65 65 GLU N N 65 123.846 119.465 4.381 1
1 766 . 4 1 1 A 66 66 LEU H H 66 8.100 8.401 -0.301 1
1 767 . 4 1 1 A 66 66 LEU HA H 66 3.783 3.903 -0.120 1
1 777 . 4 1 1 A 66 66 LEU C C 66 178.893 178.681 0.212 1
1 778 . 4 1 1 A 66 66 LEU CA C 66 58.610 57.953 0.657 1
1 779 . 4 1 1 A 66 66 LEU CB C 66 41.510 41.250 0.260 1
1 783 . 4 1 1 A 66 66 LEU N N 66 119.444 120.153 -0.709 1
1 784 . 4 1 1 A 67 67 ARG H H 67 7.870 8.024 -0.154 1
1 785 . 4 1 1 A 67 67 ARG HA H 67 4.095 3.919 0.176 1
1 792 . 4 1 1 A 67 67 ARG C C 67 179.484 178.154 1.330 1
1 793 . 4 1 1 A 67 67 ARG CA C 67 59.490 59.598 -0.108 1
1 794 . 4 1 1 A 67 67 ARG CB C 67 30.230 30.223 0.007 1
1 797 . 4 1 1 A 67 67 ARG N N 67 118.088 119.935 -1.847 1
1 798 . 4 1 1 A 68 68 ALA H H 68 7.820 7.694 0.126 1
1 799 . 4 1 1 A 68 68 ALA HA H 68 4.188 4.070 0.118 1
1 803 . 4 1 1 A 68 68 ALA C C 68 181.626 180.325 1.301 1
1 804 . 4 1 1 A 68 68 ALA CA C 68 54.840 55.097 -0.257 1
1 805 . 4 1 1 A 68 68 ALA CB C 68 18.400 18.372 0.028 1
1 806 . 4 1 1 A 68 68 ALA N N 68 123.318 121.120 2.198 1
1 807 . 4 1 1 A 69 69 ILE H H 69 8.643 7.850 0.793 1
1 808 . 4 1 1 A 69 69 ILE HA H 69 3.539 3.707 -0.168 1
1 818 . 4 1 1 A 69 69 ILE C C 69 177.290 177.673 -0.383 1
1 819 . 4 1 1 A 69 69 ILE CA C 69 66.370 65.190 1.180 1
1 820 . 4 1 1 A 69 69 ILE CB C 69 38.090 37.776 0.314 1
1 824 . 4 1 1 A 69 69 ILE N N 69 122.954 118.871 4.083 1
1 825 . 4 1 1 A 70 70 ASP H H 70 8.415 8.327 0.088 1
1 826 . 4 1 1 A 70 70 ASP HA H 70 4.336 4.390 -0.054 1
1 829 . 4 1 1 A 70 70 ASP C C 70 179.786 178.193 1.593 1
1 830 . 4 1 1 A 70 70 ASP CA C 70 58.130 57.705 0.425 1
1 831 . 4 1 1 A 70 70 ASP CB C 70 40.310 41.295 -0.985 1
1 832 . 4 1 1 A 70 70 ASP N N 70 121.571 120.952 0.619 1
1 833 . 4 1 1 A 71 71 ALA H H 71 7.869 7.978 -0.109 1
1 834 . 4 1 1 A 71 71 ALA HA H 71 4.215 4.169 0.046 1
1 838 . 4 1 1 A 71 71 ALA C C 71 180.246 179.745 0.501 1
1 839 . 4 1 1 A 71 71 ALA CA C 71 54.500 54.769 -0.269 1
1 840 . 4 1 1 A 71 71 ALA CB C 71 17.680 18.103 -0.423 1
1 841 . 4 1 1 A 71 71 ALA N N 71 121.459 120.942 0.517 1
1 842 . 4 1 1 A 72 72 ALA H H 72 8.263 7.839 0.424 1
1 843 . 4 1 1 A 72 72 ALA HA H 72 4.045 4.239 -0.194 1
1 847 . 4 1 1 A 72 72 ALA C C 72 179.668 180.061 -0.393 1
1 848 . 4 1 1 A 72 72 ALA CA C 72 55.560 55.027 0.533 1
1 849 . 4 1 1 A 72 72 ALA CB C 72 19.870 18.175 1.695 1
1 850 . 4 1 1 A 72 72 ALA N N 72 123.378 120.732 2.646 1
1 851 . 4 1 1 A 73 73 LEU H H 73 8.790 8.128 0.662 1
1 852 . 4 1 1 A 73 73 LEU HA H 73 3.920 3.879 0.041 1
1 862 . 4 1 1 A 73 73 LEU C C 73 180.286 179.373 0.913 1
1 863 . 4 1 1 A 73 73 LEU CA C 73 58.130 58.239 -0.109 1
1 864 . 4 1 1 A 73 73 LEU CB C 73 41.200 40.951 0.249 1
1 868 . 4 1 1 A 73 73 LEU N N 73 119.015 118.799 0.216 1
1 869 . 4 1 1 A 74 74 ALA H H 74 7.931 8.010 -0.079 1
1 870 . 4 1 1 A 74 74 ALA HA H 74 4.273 4.018 0.255 1
1 874 . 4 1 1 A 74 74 ALA C C 74 180.811 179.630 1.181 1
1 875 . 4 1 1 A 74 74 ALA CA C 74 54.960 54.963 -0.003 1
1 876 . 4 1 1 A 74 74 ALA CB C 74 17.690 18.146 -0.456 1
1 877 . 4 1 1 A 74 74 ALA N N 74 124.135 122.063 2.072 1
1 878 . 4 1 1 A 75 75 ARG H H 75 7.898 7.623 0.275 1
1 879 . 4 1 1 A 75 75 ARG HA H 75 4.138 4.122 0.016 1
1 886 . 4 1 1 A 75 75 ARG C C 75 179.721 179.104 0.617 1
1 887 . 4 1 1 A 75 75 ARG CA C 75 60.170 58.871 1.299 1
1 888 . 4 1 1 A 75 75 ARG CB C 75 29.970 29.869 0.101 1
1 891 . 4 1 1 A 75 75 ARG N N 75 120.143 117.264 2.879 1
1 892 . 4 1 1 A 76 76 ILE H H 76 8.061 7.853 0.208 1
1 893 . 4 1 1 A 76 76 ILE HA H 76 3.697 3.745 -0.048 1
1 903 . 4 1 1 A 76 76 ILE C C 76 179.392 177.748 1.644 1
1 904 . 4 1 1 A 76 76 ILE CA C 76 66.060 65.475 0.585 1
1 905 . 4 1 1 A 76 76 ILE CB C 76 37.240 37.777 -0.537 1
1 909 . 4 1 1 A 76 76 ILE N N 76 121.537 121.430 0.107 1
1 910 . 4 1 1 A 77 77 ALA H H 77 7.735 8.292 -0.557 1
1 911 . 4 1 1 A 77 77 ALA HA H 77 4.132 4.064 0.068 1
1 915 . 4 1 1 A 77 77 ALA C C 77 179.326 180.360 -1.034 1
1 916 . 4 1 1 A 77 77 ALA CA C 77 54.910 55.273 -0.363 1
1 917 . 4 1 1 A 77 77 ALA CB C 77 17.950 18.118 -0.168 1
1 918 . 4 1 1 A 77 77 ALA N N 77 122.664 122.756 -0.092 1
1 919 . 4 1 1 A 78 78 SER H H 78 7.999 7.537 0.462 1
1 920 . 4 1 1 A 78 78 SER HA H 78 4.472 4.521 -0.049 1
1 923 . 4 1 1 A 78 78 SER C C 78 174.675 174.791 -0.116 1
1 924 . 4 1 1 A 78 78 SER CA C 78 59.260 58.552 0.708 1
1 925 . 4 1 1 A 78 78 SER CB C 78 64.070 63.751 0.319 1
1 926 . 4 1 1 A 78 78 SER N N 78 111.061 110.892 0.169 1
1 927 . 4 1 1 A 79 79 GLY H H 79 7.844 7.754 0.090 1
1 928 . 4 1 1 A 79 79 GLY HA2 H 79 4.233 3.958 0.275 1
1 929 . 4 1 1 A 79 79 GLY HA3 H 79 4.087 3.977 0.110 1
1 930 . 4 1 1 A 79 79 GLY C C 79 175.687 174.196 1.491 1
1 931 . 4 1 1 A 79 79 GLY CA C 79 46.470 45.935 0.535 1
1 932 . 4 1 1 A 79 79 GLY N N 79 109.909 109.008 0.901 1
1 933 . 4 1 1 A 80 80 THR H H 80 8.408 7.878 0.530 1
1 934 . 4 1 1 A 80 80 THR HA H 80 4.504 4.497 0.007 1
1 939 . 4 1 1 A 80 80 THR C C 80 174.793 174.202 0.591 1
1 940 . 4 1 1 A 80 80 THR CA C 80 60.280 61.475 -1.195 1
1 941 . 4 1 1 A 80 80 THR CB C 80 69.000 69.099 -0.099 1
1 943 . 4 1 1 A 80 80 THR N N 80 109.416 115.630 -6.214 1
1 944 . 4 1 1 A 81 81 PHE H H 81 7.610 7.400 0.210 1
1 945 . 4 1 1 A 81 81 PHE HA H 81 3.944 4.217 -0.273 1
1 950 . 4 1 1 A 81 81 PHE C C 81 176.462 176.878 -0.416 1
1 951 . 4 1 1 A 81 81 PHE CA C 81 59.940 59.964 -0.024 1
1 952 . 4 1 1 A 81 81 PHE CB C 81 39.700 38.760 0.940 1
1 954 . 4 1 1 A 81 81 PHE N N 81 123.672 123.470 0.202 1
1 955 . 4 1 1 A 82 82 GLY H H 82 8.827 8.200 0.627 1
1 956 . 4 1 1 A 82 82 GLY HA2 H 82 4.000 3.356 0.644 1
1 957 . 4 1 1 A 82 82 GLY HA3 H 82 2.606 3.539 -0.933 1
1 958 . 4 1 1 A 82 82 GLY C C 82 172.388 173.975 -1.587 1
1 959 . 4 1 1 A 82 82 GLY CA C 82 44.590 46.274 -1.684 1
1 960 . 4 1 1 A 82 82 GLY N N 82 115.493 113.719 1.774 1
1 961 . 4 1 1 A 83 83 THR H H 83 7.265 7.554 -0.289 1
1 962 . 4 1 1 A 83 83 THR HA H 83 4.418 4.735 -0.317 1
1 967 . 4 1 1 A 83 83 THR C C 83 173.808 173.195 0.613 1
1 968 . 4 1 1 A 83 83 THR CA C 83 61.180 61.020 0.160 1
1 969 . 4 1 1 A 83 83 THR CB C 83 70.020 71.210 -1.190 1
1 971 . 4 1 1 A 83 83 THR N N 83 115.366 114.044 1.322 1
1 972 . 4 1 1 A 84 84 CYS H H 84 9.410 8.586 0.824 1
1 973 . 4 1 1 A 84 84 CYS HA H 84 4.339 4.726 -0.387 1
1 976 . 4 1 1 A 84 84 CYS C C 84 177.986 175.792 2.194 1
1 977 . 4 1 1 A 84 84 CYS CA C 84 60.080 59.786 0.294 1
1 978 . 4 1 1 A 84 84 CYS CB C 84 30.630 28.380 2.250 1
1 979 . 4 1 1 A 84 84 CYS N N 84 131.144 125.885 5.259 1
1 980 . 4 1 1 A 85 85 VAL H H 85 8.461 8.554 -0.093 1
1 981 . 4 1 1 A 85 85 VAL HA H 85 3.918 3.693 0.225 1
1 989 . 4 1 1 A 85 85 VAL C C 85 175.608 177.772 -2.164 1
1 990 . 4 1 1 A 85 85 VAL CA C 85 64.080 65.715 -1.635 1
1 991 . 4 1 1 A 85 85 VAL CB C 85 31.730 31.581 0.149 1
1 994 . 4 1 1 A 85 85 VAL N N 85 126.221 125.572 0.649 1
1 995 . 4 1 1 A 86 86 LYS H H 86 8.924 8.148 0.776 1
1 996 . 4 1 1 A 86 86 LYS HA H 86 4.496 4.133 0.363 1
1 1005 . 4 1 1 A 86 86 LYS C C 86 177.277 178.033 -0.756 1
1 1006 . 4 1 1 A 86 86 LYS CA C 86 58.500 58.903 -0.403 1
1 1007 . 4 1 1 A 86 86 LYS CB C 86 33.780 32.152 1.628 1
1 1011 . 4 1 1 A 86 86 LYS N N 86 123.551 122.286 1.265 1
1 1012 . 4 1 1 A 87 87 CYS H H 87 8.264 7.700 0.564 1
1 1013 . 4 1 1 A 87 87 CYS HA H 87 4.925 4.519 0.406 1
1 1016 . 4 1 1 A 87 87 CYS C C 87 177.211 175.336 1.875 1
1 1017 . 4 1 1 A 87 87 CYS CA C 87 58.980 59.681 -0.701 1
1 1018 . 4 1 1 A 87 87 CYS CB C 87 33.100 29.212 3.888 1
1 1019 . 4 1 1 A 87 87 CYS N N 87 117.502 115.286 2.216 1
1 1020 . 4 1 1 A 88 88 GLY H H 88 7.655 8.564 -0.909 1
1 1021 . 4 1 1 A 88 88 GLY HA2 H 88 4.159 3.939 0.220 1
1 1022 . 4 1 1 A 88 88 GLY HA3 H 88 3.729 3.940 -0.211 1
1 1023 . 4 1 1 A 88 88 GLY C C 88 173.558 173.723 -0.165 1
1 1024 . 4 1 1 A 88 88 GLY CA C 88 46.300 46.171 0.129 1
1 1025 . 4 1 1 A 88 88 GLY N N 88 111.948 110.372 1.576 1
1 1026 . 4 1 1 A 89 89 LYS H H 89 8.721 7.499 1.222 1
1 1027 . 4 1 1 A 89 89 LYS HA H 89 4.315 4.895 -0.580 1
1 1036 . 4 1 1 A 89 89 LYS C C 89 176.659 175.337 1.322 1
1 1037 . 4 1 1 A 89 89 LYS CA C 89 56.860 54.245 2.615 1
1 1038 . 4 1 1 A 89 89 LYS CB C 89 33.540 36.145 -2.605 1
1 1042 . 4 1 1 A 89 89 LYS N N 89 123.614 119.084 4.530 1
1 1043 . 4 1 1 A 90 90 ARG H H 90 8.415 8.295 0.120 1
1 1044 . 4 1 1 A 90 90 ARG HA H 90 4.299 4.381 -0.082 1
1 1051 . 4 1 1 A 90 90 ARG C C 90 176.041 175.944 0.097 1
1 1052 . 4 1 1 A 90 90 ARG CA C 90 56.030 56.586 -0.556 1
1 1053 . 4 1 1 A 90 90 ARG CB C 90 29.470 31.006 -1.536 1
1 1056 . 4 1 1 A 90 90 ARG N N 90 121.880 120.347 1.533 1
1 1057 . 4 1 1 A 91 91 ILE H H 91 8.334 8.101 0.233 1
1 1058 . 4 1 1 A 91 91 ILE HA H 91 3.668 4.540 -0.872 1
1 1068 . 4 1 1 A 91 91 ILE C C 91 175.003 175.211 -0.208 1
1 1069 . 4 1 1 A 91 91 ILE CA C 91 61.810 59.921 1.889 1
1 1070 . 4 1 1 A 91 91 ILE CB C 91 38.920 40.327 -1.407 1
1 1074 . 4 1 1 A 91 91 ILE N N 91 128.410 121.790 6.620 1
1 1075 . 4 1 1 A 92 92 SER H H 92 8.551 8.688 -0.137 1
1 1076 . 4 1 1 A 92 92 SER HA H 92 4.180 4.481 -0.301 1
1 1079 . 4 1 1 A 92 92 SER C C 92 175.108 175.154 -0.046 1
1 1080 . 4 1 1 A 92 92 SER CA C 92 58.460 58.271 0.189 1
1 1081 . 4 1 1 A 92 92 SER CB C 92 64.180 63.937 0.243 1
1 1082 . 4 1 1 A 92 92 SER N N 92 124.170 120.849 3.321 1
1 1083 . 4 1 1 A 93 93 GLU H H 93 8.912 8.935 -0.023 1
1 1084 . 4 1 1 A 93 93 GLU HA H 93 3.939 3.970 -0.031 1
1 1089 . 4 1 1 A 93 93 GLU C C 93 178.144 177.959 0.185 1
1 1090 . 4 1 1 A 93 93 GLU CA C 93 60.080 59.300 0.780 1
1 1091 . 4 1 1 A 93 93 GLU CB C 93 29.960 29.445 0.515 1
1 1093 . 4 1 1 A 93 93 GLU N N 93 123.996 124.630 -0.634 1
1 1094 . 4 1 1 A 94 94 ASP H H 94 8.311 8.353 -0.042 1
1 1095 . 4 1 1 A 94 94 ASP HA H 94 4.252 4.466 -0.214 1
1 1098 . 4 1 1 A 94 94 ASP C C 94 178.472 178.573 -0.101 1
1 1099 . 4 1 1 A 94 94 ASP CA C 94 57.240 56.380 0.860 1
1 1100 . 4 1 1 A 94 94 ASP CB C 94 40.420 40.080 0.340 1
1 1101 . 4 1 1 A 94 94 ASP N N 94 116.432 120.594 -4.162 1
1 1102 . 4 1 1 A 95 95 ARG H H 95 7.365 7.972 -0.607 1
1 1103 . 4 1 1 A 95 95 ARG HA H 95 4.067 4.132 -0.065 1
1 1110 . 4 1 1 A 95 95 ARG C C 95 177.237 178.503 -1.266 1
1 1111 . 4 1 1 A 95 95 ARG CA C 95 58.870 58.201 0.669 1
1 1112 . 4 1 1 A 95 95 ARG CB C 95 29.100 29.867 -0.767 1
1 1115 . 4 1 1 A 95 95 ARG N N 95 121.517 120.925 0.592 1
1 1116 . 4 1 1 A 96 96 LEU H H 96 7.831 8.091 -0.260 1
1 1117 . 4 1 1 A 96 96 LEU HA H 96 3.735 3.793 -0.058 1
1 1127 . 4 1 1 A 96 96 LEU C C 96 177.855 179.679 -1.824 1
1 1128 . 4 1 1 A 96 96 LEU CA C 96 56.930 57.491 -0.561 1
1 1129 . 4 1 1 A 96 96 LEU CB C 96 41.300 40.916 0.384 1
1 1133 . 4 1 1 A 96 96 LEU N N 96 119.073 119.580 -0.507 1
1 1134 . 4 1 1 A 97 97 LYS H H 97 8.098 8.473 -0.375 1
1 1135 . 4 1 1 A 97 97 LYS HA H 97 4.014 4.313 -0.299 1
1 1144 . 4 1 1 A 97 97 LYS C C 97 178.433 178.683 -0.250 1
1 1145 . 4 1 1 A 97 97 LYS CA C 97 59.080 59.119 -0.039 1
1 1146 . 4 1 1 A 97 97 LYS CB C 97 32.830 31.913 0.917 1
1 1150 . 4 1 1 A 97 97 LYS N N 97 114.647 118.476 -3.829 1
1 1151 . 4 1 1 A 98 98 ALA H H 98 7.011 7.278 -0.267 1
1 1152 . 4 1 1 A 98 98 ALA HA H 98 4.196 4.253 -0.057 1
1 1156 . 4 1 1 A 98 98 ALA C C 98 178.814 177.499 1.315 1
1 1157 . 4 1 1 A 98 98 ALA CA C 98 54.480 54.421 0.059 1
1 1158 . 4 1 1 A 98 98 ALA CB C 98 19.380 19.285 0.095 1
1 1159 . 4 1 1 A 98 98 ALA N N 98 119.536 121.219 -1.683 1
1 1160 . 4 1 1 A 99 99 VAL H H 99 8.133 7.954 0.179 1
1 1161 . 4 1 1 A 99 99 VAL HA H 99 4.098 4.050 0.048 1
1 1169 . 4 1 1 A 99 99 VAL CA C 99 58.260 58.693 -0.433 1
1 1170 . 4 1 1 A 99 99 VAL CB C 99 32.530 32.779 -0.249 1
1 1173 . 4 1 1 A 99 99 VAL N N 99 114.735 115.543 -0.808 1
1 1174 . 4 1 1 A 100 100 PRO HA H 100 4.761 4.365 0.396 1
1 1181 . 4 1 1 A 100 100 PRO C C 100 175.437 177.151 -1.714 1
1 1182 . 4 1 1 A 100 100 PRO CA C 100 65.370 63.924 1.446 1
1 1183 . 4 1 1 A 100 100 PRO CB C 100 31.190 31.972 -0.782 1
1 1186 . 4 1 1 A 101 101 TYR H H 101 6.053 7.496 -1.443 1
1 1187 . 4 1 1 A 101 101 TYR HA H 101 4.463 4.671 -0.208 1
1 1194 . 4 1 1 A 101 101 TYR C C 101 175.871 174.996 0.875 1
1 1195 . 4 1 1 A 101 101 TYR CA C 101 53.920 57.274 -3.354 1
1 1196 . 4 1 1 A 101 101 TYR CB C 101 38.230 38.769 -0.539 1
1 1199 . 4 1 1 A 101 101 TYR N N 101 108.211 115.091 -6.880 1
1 1200 . 4 1 1 A 102 102 THR H H 102 7.466 7.494 -0.028 1
1 1201 . 4 1 1 A 102 102 THR HA H 102 4.384 4.749 -0.365 1
1 1206 . 4 1 1 A 102 102 THR CA C 102 60.030 57.849 2.181 1
1 1207 . 4 1 1 A 102 102 THR CB C 102 69.600 69.929 -0.329 1
1 1209 . 4 1 1 A 102 102 THR N N 102 120.556 114.348 6.208 1
1 1210 . 4 1 1 A 103 103 PRO HA H 103 4.244 4.410 -0.166 1
1 1217 . 4 1 1 A 103 103 PRO C C 103 176.344 175.800 0.544 1
1 1218 . 4 1 1 A 103 103 PRO CA C 103 62.400 63.692 -1.292 1
1 1219 . 4 1 1 A 103 103 PRO CB C 103 32.250 31.396 0.854 1
1 1222 . 4 1 1 A 104 104 PHE H H 104 7.365 6.857 0.508 1
1 1223 . 4 1 1 A 104 104 PHE HA H 104 6.207 5.132 1.075 1
1 1230 . 4 1 1 A 104 104 PHE C C 104 176.133 175.697 0.436 1
1 1231 . 4 1 1 A 104 104 PHE CA C 104 55.220 56.657 -1.437 1
1 1232 . 4 1 1 A 104 104 PHE CB C 104 44.480 42.030 2.450 1
1 1235 . 4 1 1 A 104 104 PHE N N 104 115.933 118.236 -2.303 1
1 1236 . 4 1 1 A 105 105 CYS H H 105 9.248 8.654 0.594 1
1 1237 . 4 1 1 A 105 105 CYS HA H 105 4.638 4.764 -0.126 1
1 1240 . 4 1 1 A 105 105 CYS C C 105 174.254 175.810 -1.556 1
1 1241 . 4 1 1 A 105 105 CYS CA C 105 58.060 57.367 0.693 1
1 1242 . 4 1 1 A 105 105 CYS CB C 105 31.250 30.046 1.204 1
1 1243 . 4 1 1 A 105 105 CYS N N 105 118.999 119.593 -0.594 1
1 1244 . 4 1 1 A 106 106 GLN H H 106 8.865 8.945 -0.080 1
1 1245 . 4 1 1 A 106 106 GLN HA H 106 3.611 3.960 -0.349 1
1 1252 . 4 1 1 A 106 106 GLN C C 106 177.250 177.565 -0.315 1
1 1253 . 4 1 1 A 106 106 GLN CA C 106 59.430 58.839 0.591 1
1 1254 . 4 1 1 A 106 106 GLN CB C 106 28.750 28.245 0.505 1
1 1256 . 4 1 1 A 106 106 GLN N N 106 119.606 122.051 -2.445 1
1 1258 . 4 1 1 A 107 107 GLU H H 107 8.134 8.067 0.067 1
1 1259 . 4 1 1 A 107 107 GLU HA H 107 3.959 4.023 -0.064 1
1 1264 . 4 1 1 A 107 107 GLU C C 107 179.616 179.189 0.427 1
1 1265 . 4 1 1 A 107 107 GLU CA C 107 60.110 59.115 0.995 1
1 1266 . 4 1 1 A 107 107 GLU CB C 107 29.990 29.801 0.189 1
1 1268 . 4 1 1 A 107 107 GLU N N 107 119.554 119.134 0.420 1
1 1269 . 4 1 1 A 108 108 CYS H H 108 8.681 7.826 0.855 1
1 1270 . 4 1 1 A 108 108 CYS HA H 108 3.783 4.057 -0.274 1
1 1273 . 4 1 1 A 108 108 CYS C C 108 177.868 176.704 1.164 1
1 1274 . 4 1 1 A 108 108 CYS CA C 108 64.110 63.209 0.901 1
1 1275 . 4 1 1 A 108 108 CYS CB C 108 29.270 26.965 2.305 1
1 1276 . 4 1 1 A 108 108 CYS N N 108 123.406 118.742 4.664 1
1 1277 . 4 1 1 A 109 109 ALA H H 109 8.094 8.396 -0.302 1
1 1278 . 4 1 1 A 109 109 ALA HA H 109 3.693 4.025 -0.332 1
1 1282 . 4 1 1 A 109 109 ALA C C 109 178.591 179.975 -1.384 1
1 1283 . 4 1 1 A 109 109 ALA CA C 109 53.710 55.172 -1.462 1
1 1284 . 4 1 1 A 109 109 ALA CB C 109 18.430 18.214 0.216 1
1 1285 . 4 1 1 A 109 109 ALA N N 109 120.579 122.407 -1.828 1
1 1286 . 4 1 1 A 110 110 ALA H H 110 7.402 8.077 -0.675 1
1 1287 . 4 1 1 A 110 110 ALA HA H 110 4.111 4.169 -0.058 1
1 1291 . 4 1 1 A 110 110 ALA C C 110 177.408 179.919 -2.511 1
1 1292 . 4 1 1 A 110 110 ALA CA C 110 53.000 54.903 -1.903 1
1 1293 . 4 1 1 A 110 110 ALA CB C 110 18.710 18.367 0.343 1
1 1294 . 4 1 1 A 110 110 ALA N N 110 118.992 120.030 -1.038 1
1 1295 . 4 1 1 A 111 111 ALA H H 111 7.247 7.503 -0.256 1
1 1296 . 4 1 1 A 111 111 ALA HA H 111 4.300 4.241 0.059 1
1 1300 . 4 1 1 A 111 111 ALA C C 111 176.488 178.333 -1.845 1
1 1301 . 4 1 1 A 111 111 ALA CA C 111 51.840 52.739 -0.899 1
1 1302 . 4 1 1 A 111 111 ALA CB C 111 19.210 19.359 -0.149 1
1 1303 . 4 1 1 A 111 111 ALA N N 111 120.857 119.766 1.091 1
1 19 . 5 1 1 A 2 2 ALA H H 2 8.460 9.036 -0.576 1
1 20 . 5 1 1 A 2 2 ALA HA H 2 4.304 3.939 0.365 1
1 24 . 5 1 1 A 2 2 ALA C C 2 178.183 177.324 0.859 1
1 25 . 5 1 1 A 2 2 ALA CA C 2 52.760 54.676 -1.916 1
1 26 . 5 1 1 A 2 2 ALA CB C 2 19.150 18.241 0.909 1
1 27 . 5 1 1 A 2 2 ALA N N 2 125.375 129.889 -4.514 1
1 28 . 5 1 1 A 3 3 GLY H H 3 8.343 8.403 -0.060 1
1 29 . 5 1 1 A 3 3 GLY N N 3 108.577 105.929 2.648 1
1 30 . 5 1 1 A 5 5 LYS HA H 5 4.355 4.135 0.220 1
1 39 . 5 1 1 A 5 5 LYS CA C 5 56.170 58.686 -2.516 1
1 40 . 5 1 1 A 5 5 LYS CB C 5 33.170 33.367 -0.197 1
1 44 . 5 1 1 A 6 6 SER HA H 6 4.429 4.782 -0.353 1
1 47 . 5 1 1 A 6 6 SER CA C 6 58.390 57.406 0.984 1
1 48 . 5 1 1 A 6 6 SER CB C 6 64.040 64.608 -0.568 1
1 49 . 5 1 1 A 7 7 MET HA H 7 4.435 4.741 -0.306 1
1 57 . 5 1 1 A 7 7 MET CA C 7 55.610 54.488 1.122 1
1 58 . 5 1 1 A 7 7 MET CB C 7 33.550 34.938 -1.388 1
1 61 . 5 1 1 A 8 8 ASN HA H 8 4.837 4.803 0.034 1
1 66 . 5 1 1 A 8 8 ASN C C 8 175.910 175.262 0.648 1
1 67 . 5 1 1 A 8 8 ASN CA C 8 52.310 52.428 -0.118 1
1 68 . 5 1 1 A 8 8 ASN CB C 8 38.190 36.420 1.770 1
1 70 . 5 1 1 A 9 9 VAL H H 9 8.400 7.974 0.426 1
1 71 . 5 1 1 A 9 9 VAL HA H 9 3.908 3.890 0.018 1
1 79 . 5 1 1 A 9 9 VAL C C 9 176.738 177.877 -1.139 1
1 80 . 5 1 1 A 9 9 VAL CA C 9 65.550 66.906 -1.356 1
1 81 . 5 1 1 A 9 9 VAL CB C 9 31.970 31.814 0.156 1
1 84 . 5 1 1 A 9 9 VAL N N 9 121.216 122.620 -1.404 1
1 85 . 5 1 1 A 10 10 GLU H H 10 8.596 8.546 0.050 1
1 86 . 5 1 1 A 10 10 GLU HA H 10 4.077 3.859 0.218 1
1 91 . 5 1 1 A 10 10 GLU C C 10 178.985 178.877 0.108 1
1 92 . 5 1 1 A 10 10 GLU CA C 10 59.390 60.053 -0.663 1
1 93 . 5 1 1 A 10 10 GLU CB C 10 29.000 29.482 -0.482 1
1 95 . 5 1 1 A 10 10 GLU N N 10 121.274 120.923 0.351 1
1 96 . 5 1 1 A 11 11 SER H H 11 7.841 7.941 -0.100 1
1 97 . 5 1 1 A 11 11 SER HA H 11 4.138 4.039 0.099 1
1 100 . 5 1 1 A 11 11 SER C C 11 176.817 176.383 0.434 1
1 101 . 5 1 1 A 11 11 SER CA C 11 60.790 62.276 -1.486 1
1 102 . 5 1 1 A 11 11 SER CB C 11 62.470 62.814 -0.344 1
1 103 . 5 1 1 A 11 11 SER N N 11 115.238 116.895 -1.657 1
1 104 . 5 1 1 A 12 12 TYR H H 12 7.284 7.420 -0.136 1
1 105 . 5 1 1 A 12 12 TYR HA H 12 4.104 4.286 -0.182 1
1 112 . 5 1 1 A 12 12 TYR C C 12 177.132 178.060 -0.928 1
1 113 . 5 1 1 A 12 12 TYR CA C 12 62.060 61.734 0.326 1
1 114 . 5 1 1 A 12 12 TYR CB C 12 38.710 38.010 0.700 1
1 117 . 5 1 1 A 12 12 TYR N N 12 120.370 119.836 0.534 1
1 118 . 5 1 1 A 13 13 GLU H H 13 8.490 8.514 -0.024 1
1 119 . 5 1 1 A 13 13 GLU HA H 13 3.432 3.888 -0.456 1
1 124 . 5 1 1 A 13 13 GLU C C 13 177.303 178.786 -1.483 1
1 125 . 5 1 1 A 13 13 GLU CA C 13 60.660 59.622 1.038 1
1 126 . 5 1 1 A 13 13 GLU CB C 13 29.200 28.828 0.372 1
1 128 . 5 1 1 A 13 13 GLU N N 13 120.162 120.638 -0.476 1
1 129 . 5 1 1 A 14 14 LYS H H 14 7.454 7.895 -0.441 1
1 130 . 5 1 1 A 14 14 LYS HA H 14 3.900 4.080 -0.180 1
1 139 . 5 1 1 A 14 14 LYS C C 14 178.249 178.761 -0.512 1
1 140 . 5 1 1 A 14 14 LYS CA C 14 59.620 59.060 0.560 1
1 141 . 5 1 1 A 14 14 LYS CB C 14 32.420 31.765 0.655 1
1 145 . 5 1 1 A 14 14 LYS N N 14 117.838 118.326 -0.488 1
1 146 . 5 1 1 A 15 15 ILE H H 15 7.409 7.697 -0.288 1
1 147 . 5 1 1 A 15 15 ILE HA H 15 3.822 3.948 -0.126 1
1 157 . 5 1 1 A 15 15 ILE C C 15 179.668 177.942 1.726 1
1 158 . 5 1 1 A 15 15 ILE CA C 15 65.030 63.160 1.870 1
1 159 . 5 1 1 A 15 15 ILE CB C 15 38.950 37.690 1.260 1
1 163 . 5 1 1 A 15 15 ILE N N 15 118.597 120.436 -1.839 1
1 164 . 5 1 1 A 16 16 LEU H H 16 8.407 8.172 0.235 1
1 165 . 5 1 1 A 16 16 LEU HA H 16 3.992 3.985 0.007 1
1 175 . 5 1 1 A 16 16 LEU C C 16 178.512 179.190 -0.678 1
1 176 . 5 1 1 A 16 16 LEU CA C 16 58.230 57.892 0.338 1
1 177 . 5 1 1 A 16 16 LEU CB C 16 42.130 41.267 0.863 1
1 181 . 5 1 1 A 16 16 LEU N N 16 120.642 121.079 -0.437 1
1 182 . 5 1 1 A 17 17 ARG H H 17 8.789 7.960 0.829 1
1 183 . 5 1 1 A 17 17 ARG HA H 17 3.917 4.109 -0.192 1
1 190 . 5 1 1 A 17 17 ARG C C 17 179.602 179.001 0.601 1
1 191 . 5 1 1 A 17 17 ARG CA C 17 60.080 59.181 0.899 1
1 192 . 5 1 1 A 17 17 ARG CB C 17 29.620 29.897 -0.277 1
1 195 . 5 1 1 A 17 17 ARG N N 17 119.196 119.419 -0.223 1
1 196 . 5 1 1 A 18 18 ASP H H 18 8.638 8.352 0.286 1
1 197 . 5 1 1 A 18 18 ASP HA H 18 4.418 4.373 0.045 1
1 200 . 5 1 1 A 18 18 ASP C C 18 179.116 179.155 -0.039 1
1 201 . 5 1 1 A 18 18 ASP CA C 18 57.330 57.243 0.087 1
1 202 . 5 1 1 A 18 18 ASP CB C 18 39.700 40.074 -0.374 1
1 203 . 5 1 1 A 18 18 ASP N N 18 121.383 120.022 1.361 1
1 204 . 5 1 1 A 19 19 ARG H H 19 7.947 7.973 -0.026 1
1 205 . 5 1 1 A 19 19 ARG HA H 19 4.180 4.156 0.024 1
1 212 . 5 1 1 A 19 19 ARG C C 19 177.855 179.031 -1.176 1
1 213 . 5 1 1 A 19 19 ARG CA C 19 57.680 59.488 -1.808 1
1 214 . 5 1 1 A 19 19 ARG CB C 19 29.540 29.816 -0.276 1
1 217 . 5 1 1 A 19 19 ARG N N 19 121.506 119.395 2.111 1
1 218 . 5 1 1 A 20 20 GLN H H 20 8.691 8.195 0.496 1
1 219 . 5 1 1 A 20 20 GLN HA H 20 3.589 4.102 -0.513 1
1 226 . 5 1 1 A 20 20 GLN C C 20 176.896 178.249 -1.353 1
1 227 . 5 1 1 A 20 20 GLN CA C 20 59.620 58.821 0.799 1
1 228 . 5 1 1 A 20 20 GLN CB C 20 30.020 28.047 1.973 1
1 230 . 5 1 1 A 20 20 GLN N N 20 120.162 118.021 2.141 1
1 232 . 5 1 1 A 21 21 ARG H H 21 7.959 7.966 -0.007 1
1 233 . 5 1 1 A 21 21 ARG HA H 21 3.973 4.100 -0.127 1
1 240 . 5 1 1 A 21 21 ARG C C 21 178.985 179.105 -0.120 1
1 241 . 5 1 1 A 21 21 ARG CA C 21 59.800 59.627 0.173 1
1 242 . 5 1 1 A 21 21 ARG CB C 21 29.980 30.177 -0.197 1
1 245 . 5 1 1 A 21 21 ARG N N 21 117.219 119.380 -2.161 1
1 246 . 5 1 1 A 22 22 GLU H H 22 7.700 8.134 -0.434 1
1 247 . 5 1 1 A 22 22 GLU HA H 22 4.076 4.112 -0.036 1
1 252 . 5 1 1 A 22 22 GLU C C 22 179.090 178.364 0.726 1
1 253 . 5 1 1 A 22 22 GLU CA C 22 58.950 59.063 -0.113 1
1 254 . 5 1 1 A 22 22 GLU CB C 22 29.580 28.707 0.873 1
1 256 . 5 1 1 A 22 22 GLU N N 22 119.703 118.350 1.353 1
1 257 . 5 1 1 A 23 23 LEU H H 23 8.264 7.824 0.440 1
1 258 . 5 1 1 A 23 23 LEU HA H 23 3.979 4.148 -0.169 1
1 268 . 5 1 1 A 23 23 LEU C C 23 179.234 178.607 0.627 1
1 269 . 5 1 1 A 23 23 LEU CA C 23 57.990 57.289 0.701 1
1 270 . 5 1 1 A 23 23 LEU CB C 23 42.370 41.950 0.420 1
1 274 . 5 1 1 A 23 23 LEU N N 23 119.988 121.090 -1.102 1
1 275 . 5 1 1 A 24 24 TYR H H 24 8.688 8.366 0.322 1
1 276 . 5 1 1 A 24 24 TYR HA H 24 4.084 4.312 -0.228 1
1 283 . 5 1 1 A 24 24 TYR C C 24 178.630 179.284 -0.654 1
1 284 . 5 1 1 A 24 24 TYR CA C 24 61.670 60.741 0.929 1
1 285 . 5 1 1 A 24 24 TYR CB C 24 37.780 37.655 0.125 1
1 288 . 5 1 1 A 24 24 TYR N N 24 119.101 118.834 0.267 1
1 289 . 5 1 1 A 25 25 ARG H H 25 7.945 8.006 -0.061 1
1 290 . 5 1 1 A 25 25 ARG HA H 25 4.043 4.134 -0.091 1
1 297 . 5 1 1 A 25 25 ARG C C 25 178.683 178.507 0.176 1
1 298 . 5 1 1 A 25 25 ARG CA C 25 59.460 58.631 0.829 1
1 299 . 5 1 1 A 25 25 ARG CB C 25 30.160 29.610 0.550 1
1 302 . 5 1 1 A 25 25 ARG N N 25 118.297 118.281 0.016 1
1 303 . 5 1 1 A 26 26 ARG H H 26 7.726 7.655 0.071 1
1 304 . 5 1 1 A 26 26 ARG HA H 26 4.067 4.034 0.033 1
1 311 . 5 1 1 A 26 26 ARG C C 26 177.986 178.858 -0.872 1
1 312 . 5 1 1 A 26 26 ARG CA C 26 58.300 59.034 -0.734 1
1 313 . 5 1 1 A 26 26 ARG CB C 26 30.670 29.896 0.774 1
1 316 . 5 1 1 A 26 26 ARG N N 26 118.100 119.839 -1.739 1
1 317 . 5 1 1 A 27 27 LEU H H 27 7.971 7.887 0.084 1
1 318 . 5 1 1 A 27 27 LEU HA H 27 4.095 4.054 0.041 1
1 328 . 5 1 1 A 27 27 LEU C C 27 177.461 177.602 -0.141 1
1 329 . 5 1 1 A 27 27 LEU CA C 27 56.260 57.262 -1.002 1
1 330 . 5 1 1 A 27 27 LEU CB C 27 42.260 41.327 0.933 1
1 334 . 5 1 1 A 27 27 LEU N N 27 118.633 117.176 1.457 1
1 335 . 5 1 1 A 28 28 HIS H H 28 7.863 7.735 0.128 1
1 336 . 5 1 1 A 28 28 HIS HA H 28 4.482 4.783 -0.301 1
1 341 . 5 1 1 A 28 28 HIS C C 28 174.741 176.016 -1.275 1
1 342 . 5 1 1 A 28 28 HIS CA C 28 56.310 56.063 0.247 1
1 343 . 5 1 1 A 28 28 HIS CB C 28 29.300 29.380 -0.080 1
1 346 . 5 1 1 A 28 28 HIS N N 28 116.767 117.445 -0.678 1
1 347 . 5 1 1 A 29 29 LYS H H 29 7.893 8.302 -0.409 1
1 348 . 5 1 1 A 29 29 LYS HA H 29 4.172 3.755 0.417 1
1 357 . 5 1 1 A 29 29 LYS C C 29 176.357 177.969 -1.612 1
1 358 . 5 1 1 A 29 29 LYS CA C 29 56.830 58.779 -1.949 1
1 359 . 5 1 1 A 29 29 LYS CB C 29 32.000 32.075 -0.075 1
1 363 . 5 1 1 A 29 29 LYS N N 29 120.331 118.689 1.642 1
1 364 . 5 1 1 A 30 30 ILE H H 30 7.995 7.582 0.413 1
1 365 . 5 1 1 A 30 30 ILE HA H 30 4.085 3.935 0.150 1
1 375 . 5 1 1 A 30 30 ILE C C 30 176.344 177.588 -1.244 1
1 376 . 5 1 1 A 30 30 ILE CA C 30 61.440 64.377 -2.937 1
1 377 . 5 1 1 A 30 30 ILE CB C 30 39.020 37.350 1.670 1
1 381 . 5 1 1 A 30 30 ILE N N 30 120.440 116.598 3.842 1
1 382 . 5 1 1 A 31 31 GLU H H 31 8.367 8.407 -0.040 1
1 383 . 5 1 1 A 31 31 GLU HA H 31 4.159 4.410 -0.251 1
1 388 . 5 1 1 A 31 31 GLU C C 31 176.265 176.274 -0.009 1
1 389 . 5 1 1 A 31 31 GLU CA C 31 56.890 57.148 -0.258 1
1 390 . 5 1 1 A 31 31 GLU CB C 31 30.050 30.591 -0.541 1
1 392 . 5 1 1 A 31 31 GLU N N 31 124.043 119.681 4.362 1
1 393 . 5 1 1 A 32 32 ALA H H 32 8.138 7.671 0.467 1
1 394 . 5 1 1 A 32 32 ALA HA H 32 4.175 4.371 -0.196 1
1 398 . 5 1 1 A 32 32 ALA C C 32 177.198 176.337 0.861 1
1 399 . 5 1 1 A 32 32 ALA CA C 32 52.620 51.229 1.391 1
1 400 . 5 1 1 A 32 32 ALA CB C 32 19.490 18.760 0.730 1
1 401 . 5 1 1 A 32 32 ALA N N 32 124.170 123.790 0.380 1
1 402 . 5 1 1 A 33 33 ASP H H 33 8.157 8.773 -0.616 1
1 403 . 5 1 1 A 33 33 ASP HA H 33 4.467 4.600 -0.133 1
1 406 . 5 1 1 A 33 33 ASP C C 33 175.910 175.903 0.007 1
1 407 . 5 1 1 A 33 33 ASP CA C 33 54.500 54.627 -0.127 1
1 408 . 5 1 1 A 33 33 ASP CB C 33 40.750 41.683 -0.933 1
1 409 . 5 1 1 A 33 33 ASP N N 33 118.904 125.218 -6.314 1
1 410 . 5 1 1 A 34 34 PHE H H 34 7.884 8.625 -0.741 1
1 411 . 5 1 1 A 34 34 PHE HA H 34 4.514 4.610 -0.096 1
1 418 . 5 1 1 A 34 34 PHE C C 34 175.319 175.795 -0.476 1
1 419 . 5 1 1 A 34 34 PHE CA C 34 57.610 57.200 0.410 1
1 420 . 5 1 1 A 34 34 PHE CB C 34 39.840 37.520 2.320 1
1 423 . 5 1 1 A 34 34 PHE N N 34 119.439 124.110 -4.671 1
1 424 . 5 1 1 A 35 35 GLU H H 35 8.084 8.932 -0.848 1
1 425 . 5 1 1 A 35 35 GLU HA H 35 4.190 4.470 -0.280 1
1 430 . 5 1 1 A 35 35 GLU C C 35 175.634 176.259 -0.625 1
1 431 . 5 1 1 A 35 35 GLU CA C 35 56.140 57.725 -1.585 1
1 432 . 5 1 1 A 35 35 GLU CB C 35 30.810 30.584 0.226 1
1 434 . 5 1 1 A 35 35 GLU N N 35 122.340 126.284 -3.944 1
1 435 . 5 1 1 A 36 36 GLU H H 36 8.172 7.957 0.215 1
1 436 . 5 1 1 A 36 36 GLU HA H 36 4.442 4.083 0.359 1
1 441 . 5 1 1 A 36 36 GLU CA C 36 54.300 56.940 -2.640 1
1 442 . 5 1 1 A 36 36 GLU CB C 36 29.490 28.272 1.218 1
1 444 . 5 1 1 A 36 36 GLU N N 36 123.278 118.401 4.877 1
1 445 . 5 1 1 A 37 37 PRO HA H 37 4.339 4.528 -0.189 1
1 452 . 5 1 1 A 37 37 PRO C C 37 175.818 177.712 -1.894 1
1 453 . 5 1 1 A 37 37 PRO CA C 37 62.800 62.877 -0.077 1
1 454 . 5 1 1 A 37 37 PRO CB C 37 31.900 30.699 1.201 1
1 457 . 5 1 1 A 38 38 ARG H H 38 8.412 8.414 -0.002 1
1 458 . 5 1 1 A 38 38 ARG HA H 38 4.255 4.171 0.084 1
1 465 . 5 1 1 A 38 38 ARG C C 38 175.818 176.314 -0.496 1
1 466 . 5 1 1 A 38 38 ARG CA C 38 55.350 57.653 -2.303 1
1 467 . 5 1 1 A 38 38 ARG CB C 38 31.010 30.441 0.569 1
1 470 . 5 1 1 A 38 38 ARG N N 38 121.791 121.475 0.316 1
1 471 . 5 1 1 A 39 39 ASN H H 39 8.624 7.701 0.923 1
1 472 . 5 1 1 A 39 39 ASN HA H 39 4.906 4.933 -0.027 1
1 477 . 5 1 1 A 39 39 ASN CA C 39 51.100 50.985 0.115 1
1 478 . 5 1 1 A 39 39 ASN CB C 39 38.560 38.450 0.110 1
1 479 . 5 1 1 A 39 39 ASN N N 39 121.594 118.178 3.416 1
1 481 . 5 1 1 A 40 40 PRO HA H 40 4.310 4.522 -0.212 1
1 488 . 5 1 1 A 40 40 PRO C C 40 176.896 177.179 -0.283 1
1 489 . 5 1 1 A 40 40 PRO CA C 40 63.970 64.067 -0.097 1
1 490 . 5 1 1 A 40 40 PRO CB C 40 32.210 32.510 -0.300 1
1 493 . 5 1 1 A 41 41 ASP H H 41 8.219 8.632 -0.413 1
1 494 . 5 1 1 A 41 41 ASP HA H 41 4.516 4.480 0.036 1
1 497 . 5 1 1 A 41 41 ASP C C 41 176.252 177.962 -1.710 1
1 498 . 5 1 1 A 41 41 ASP CA C 41 54.740 56.427 -1.687 1
1 499 . 5 1 1 A 41 41 ASP CB C 41 41.100 40.148 0.952 1
1 500 . 5 1 1 A 41 41 ASP N N 41 118.818 120.200 -1.382 1
1 501 . 5 1 1 A 42 42 ASP H H 42 7.949 8.739 -0.790 1
1 502 . 5 1 1 A 42 42 ASP HA H 42 4.516 4.308 0.208 1
1 505 . 5 1 1 A 42 42 ASP C C 42 176.567 178.318 -1.751 1
1 506 . 5 1 1 A 42 42 ASP CA C 42 54.910 55.926 -1.016 1
1 507 . 5 1 1 A 42 42 ASP CB C 42 41.100 38.964 2.136 1
1 508 . 5 1 1 A 42 42 ASP N N 42 120.104 117.564 2.540 1
1 509 . 5 1 1 A 43 43 GLU H H 43 8.179 7.976 0.203 1
1 510 . 5 1 1 A 43 43 GLU HA H 43 4.153 4.009 0.144 1
1 515 . 5 1 1 A 43 43 GLU C C 43 176.488 178.757 -2.269 1
1 516 . 5 1 1 A 43 43 GLU CA C 43 57.070 59.849 -2.779 1
1 517 . 5 1 1 A 43 43 GLU CB C 43 30.430 29.203 1.227 1
1 519 . 5 1 1 A 43 43 GLU N N 43 121.153 120.305 0.848 1
1 520 . 5 1 1 A 44 44 ASP H H 44 8.325 7.921 0.404 1
1 521 . 5 1 1 A 44 44 ASP HA H 44 4.517 4.493 0.024 1
1 524 . 5 1 1 A 44 44 ASP C C 44 176.462 176.643 -0.181 1
1 525 . 5 1 1 A 44 44 ASP CA C 44 54.360 56.417 -2.057 1
1 526 . 5 1 1 A 44 44 ASP CB C 44 41.030 40.621 0.409 1
1 527 . 5 1 1 A 44 44 ASP N N 44 121.100 119.368 1.732 1
1 528 . 5 1 1 A 45 45 ARG H H 45 8.106 7.662 0.444 1
1 529 . 5 1 1 A 45 45 ARG HA H 45 4.252 4.452 -0.200 1
1 536 . 5 1 1 A 45 45 ARG C C 45 176.475 174.818 1.657 1
1 537 . 5 1 1 A 45 45 ARG CA C 45 56.000 55.008 0.992 1
1 538 . 5 1 1 A 45 45 ARG CB C 45 30.360 28.471 1.889 1
1 541 . 5 1 1 A 45 45 ARG N N 45 121.258 118.256 3.002 1
1 542 . 5 1 1 A 46 46 ALA H H 46 8.235 8.431 -0.196 1
1 543 . 5 1 1 A 46 46 ALA HA H 46 4.220 4.766 -0.546 1
1 547 . 5 1 1 A 46 46 ALA C C 46 178.196 176.271 1.925 1
1 548 . 5 1 1 A 46 46 ALA CA C 46 53.070 50.695 2.375 1
1 549 . 5 1 1 A 46 46 ALA CB C 46 18.840 19.644 -0.804 1
1 550 . 5 1 1 A 46 46 ALA N N 46 124.506 127.919 -3.413 1
1 551 . 5 1 1 A 47 47 SER H H 47 8.150 8.371 -0.221 1
1 552 . 5 1 1 A 47 47 SER HA H 47 4.331 4.324 0.007 1
1 555 . 5 1 1 A 47 47 SER C C 47 174.727 173.741 0.986 1
1 556 . 5 1 1 A 47 47 SER CA C 47 58.820 59.268 -0.448 1
1 557 . 5 1 1 A 47 47 SER CB C 47 63.520 61.969 1.551 1
1 558 . 5 1 1 A 47 47 SER N N 47 114.398 119.801 -5.403 1
1 559 . 5 1 1 A 48 48 GLU H H 48 8.235 8.382 -0.147 1
1 560 . 5 1 1 A 48 48 GLU HA H 48 4.244 4.283 -0.039 1
1 565 . 5 1 1 A 48 48 GLU C C 48 176.396 176.292 0.104 1
1 566 . 5 1 1 A 48 48 GLU CA C 48 56.550 56.139 0.411 1
1 567 . 5 1 1 A 48 48 GLU CB C 48 30.330 30.898 -0.568 1
1 569 . 5 1 1 A 48 48 GLU N N 48 122.340 125.597 -3.257 1
1 570 . 5 1 1 A 49 49 ARG H H 49 8.174 8.869 -0.695 1
1 571 . 5 1 1 A 49 49 ARG HA H 49 4.339 4.019 0.320 1
1 578 . 5 1 1 A 49 49 ARG C C 49 176.344 176.109 0.235 1
1 579 . 5 1 1 A 49 49 ARG CA C 49 55.900 56.747 -0.847 1
1 580 . 5 1 1 A 49 49 ARG CB C 49 30.980 29.011 1.969 1
1 583 . 5 1 1 A 49 49 ARG N N 49 121.431 120.159 1.272 1
1 584 . 5 1 1 A 50 50 SER H H 50 8.389 8.316 0.073 1
1 585 . 5 1 1 A 50 50 SER HA H 50 4.392 4.595 -0.203 1
1 588 . 5 1 1 A 50 50 SER C C 50 174.517 174.993 -0.476 1
1 589 . 5 1 1 A 50 50 SER CA C 50 58.230 60.635 -2.405 1
1 590 . 5 1 1 A 50 50 SER CB C 50 64.010 63.420 0.590 1
1 591 . 5 1 1 A 50 50 SER N N 50 117.321 121.161 -3.840 1
1 592 . 5 1 1 A 51 51 ASN H H 51 8.488 8.028 0.460 1
1 593 . 5 1 1 A 51 51 ASN HA H 51 4.657 5.047 -0.390 1
1 598 . 5 1 1 A 51 51 ASN C C 51 175.122 174.312 0.810 1
1 599 . 5 1 1 A 51 51 ASN CA C 51 53.780 52.451 1.329 1
1 600 . 5 1 1 A 51 51 ASN CB C 51 38.770 41.126 -2.356 1
1 601 . 5 1 1 A 51 51 ASN N N 51 120.903 113.591 7.312 1
1 603 . 5 1 1 A 52 52 ASP H H 52 8.231 8.586 -0.355 1
1 604 . 5 1 1 A 52 52 ASP HA H 52 4.517 4.709 -0.192 1
1 607 . 5 1 1 A 52 52 ASP C C 52 176.291 176.811 -0.520 1
1 608 . 5 1 1 A 52 52 ASP CA C 52 54.500 55.989 -1.489 1
1 609 . 5 1 1 A 52 52 ASP CB C 52 41.170 42.181 -1.011 1
1 610 . 5 1 1 A 52 52 ASP N N 52 120.236 121.012 -0.776 1
1 611 . 5 1 1 A 53 53 GLU H H 53 8.139 7.553 0.586 1
1 612 . 5 1 1 A 53 53 GLU HA H 53 4.194 4.400 -0.206 1
1 617 . 5 1 1 A 53 53 GLU C C 53 176.606 177.343 -0.737 1
1 618 . 5 1 1 A 53 53 GLU CA C 53 56.930 56.458 0.472 1
1 619 . 5 1 1 A 53 53 GLU CB C 53 30.500 30.449 0.051 1
1 621 . 5 1 1 A 53 53 GLU N N 53 120.655 118.384 2.271 1
1 622 . 5 1 1 A 54 54 VAL H H 54 8.061 8.814 -0.753 1
1 623 . 5 1 1 A 54 54 VAL HA H 54 3.978 3.663 0.315 1
1 631 . 5 1 1 A 54 54 VAL C C 54 176.278 176.418 -0.140 1
1 632 . 5 1 1 A 54 54 VAL CA C 54 62.880 66.358 -3.478 1
1 633 . 5 1 1 A 54 54 VAL CB C 54 32.660 31.900 0.760 1
1 636 . 5 1 1 A 54 54 VAL N N 54 121.320 122.525 -1.205 1
1 637 . 5 1 1 A 55 55 LEU H H 55 8.209 7.982 0.227 1
1 638 . 5 1 1 A 55 55 LEU HA H 55 4.273 4.028 0.245 1
1 648 . 5 1 1 A 55 55 LEU C C 55 177.355 176.977 0.378 1
1 649 . 5 1 1 A 55 55 LEU CA C 55 55.290 55.699 -0.409 1
1 650 . 5 1 1 A 55 55 LEU CB C 55 42.190 40.591 1.599 1
1 654 . 5 1 1 A 55 55 LEU N N 55 125.139 121.962 3.177 1
1 655 . 5 1 1 A 56 56 ASP H H 56 8.204 8.464 -0.260 1
1 656 . 5 1 1 A 56 56 ASP HA H 56 4.516 4.352 0.164 1
1 659 . 5 1 1 A 56 56 ASP C C 56 176.633 177.864 -1.231 1
1 660 . 5 1 1 A 56 56 ASP CA C 56 54.360 56.350 -1.990 1
1 661 . 5 1 1 A 56 56 ASP CB C 56 41.070 39.858 1.212 1
1 662 . 5 1 1 A 56 56 ASP N N 56 121.154 126.793 -5.639 1
1 663 . 5 1 1 A 57 57 GLU H H 57 8.316 8.168 0.148 1
1 664 . 5 1 1 A 57 57 GLU HA H 57 4.164 4.152 0.012 1
1 669 . 5 1 1 A 57 57 GLU C C 57 177.158 179.010 -1.852 1
1 670 . 5 1 1 A 57 57 GLU CA C 57 57.650 58.841 -1.191 1
1 671 . 5 1 1 A 57 57 GLU CB C 57 30.020 29.648 0.372 1
1 673 . 5 1 1 A 57 57 GLU N N 57 120.771 119.775 0.996 1
1 674 . 5 1 1 A 58 58 LEU H H 58 8.204 7.462 0.742 1
1 675 . 5 1 1 A 58 58 LEU HA H 58 4.231 4.275 -0.044 1
1 685 . 5 1 1 A 58 58 LEU C C 58 178.538 177.523 1.015 1
1 686 . 5 1 1 A 58 58 LEU CA C 58 55.690 57.198 -1.508 1
1 687 . 5 1 1 A 58 58 LEU CB C 58 42.230 42.300 -0.070 1
1 691 . 5 1 1 A 58 58 LEU N N 58 120.716 118.962 1.754 1
1 692 . 5 1 1 A 59 59 GLY H H 59 8.212 7.683 0.529 1
1 693 . 5 1 1 A 59 59 GLY HA2 H 59 3.917 4.092 -0.175 1
1 694 . 5 1 1 A 59 59 GLY HA3 H 59 3.917 4.095 -0.178 1
1 695 . 5 1 1 A 59 59 GLY C C 59 174.294 174.979 -0.685 1
1 696 . 5 1 1 A 59 59 GLY CA C 59 45.550 44.801 0.749 1
1 697 . 5 1 1 A 59 59 GLY N N 59 108.670 104.855 3.815 1
1 698 . 5 1 1 A 60 60 GLN H H 60 8.310 9.035 -0.725 1
1 699 . 5 1 1 A 60 60 GLN HA H 60 4.079 3.913 0.166 1
1 706 . 5 1 1 A 60 60 GLN C C 60 177.171 178.238 -1.067 1
1 707 . 5 1 1 A 60 60 GLN CA C 60 57.590 59.168 -1.578 1
1 708 . 5 1 1 A 60 60 GLN CB C 60 28.960 28.232 0.728 1
1 710 . 5 1 1 A 60 60 GLN N N 60 120.662 122.024 -1.362 1
1 712 . 5 1 1 A 61 61 VAL H H 61 8.136 8.210 -0.074 1
1 713 . 5 1 1 A 61 61 VAL HA H 61 3.971 3.739 0.232 1
1 721 . 5 1 1 A 61 61 VAL C C 61 178.262 178.206 0.056 1
1 722 . 5 1 1 A 61 61 VAL CA C 61 64.420 65.900 -1.480 1
1 723 . 5 1 1 A 61 61 VAL CB C 61 32.110 31.074 1.036 1
1 726 . 5 1 1 A 61 61 VAL N N 61 119.154 120.847 -1.693 1
1 727 . 5 1 1 A 62 62 GLY H H 62 8.183 8.397 -0.214 1
1 728 . 5 1 1 A 62 62 GLY HA2 H 62 3.966 3.704 0.262 1
1 729 . 5 1 1 A 62 62 GLY HA3 H 62 3.783 3.707 0.076 1
1 730 . 5 1 1 A 62 62 GLY C C 62 174.872 175.736 -0.864 1
1 731 . 5 1 1 A 62 62 GLY CA C 62 46.780 47.277 -0.497 1
1 732 . 5 1 1 A 62 62 GLY N N 62 110.813 108.657 2.156 1
1 733 . 5 1 1 A 63 63 GLN H H 63 8.235 7.721 0.514 1
1 734 . 5 1 1 A 63 63 GLN HA H 63 3.966 3.957 0.009 1
1 741 . 5 1 1 A 63 63 GLN C C 63 178.170 178.079 0.091 1
1 742 . 5 1 1 A 63 63 GLN CA C 63 58.990 58.683 0.307 1
1 743 . 5 1 1 A 63 63 GLN CB C 63 28.500 28.431 0.069 1
1 745 . 5 1 1 A 63 63 GLN N N 63 120.667 121.794 -1.127 1
1 747 . 5 1 1 A 64 64 ASP H H 64 8.386 7.970 0.416 1
1 748 . 5 1 1 A 64 64 ASP HA H 64 4.347 4.473 -0.126 1
1 751 . 5 1 1 A 64 64 ASP C C 64 178.669 179.019 -0.350 1
1 752 . 5 1 1 A 64 64 ASP CA C 64 56.860 56.683 0.177 1
1 753 . 5 1 1 A 64 64 ASP CB C 64 39.970 40.330 -0.360 1
1 754 . 5 1 1 A 64 64 ASP N N 64 120.058 119.353 0.705 1
1 755 . 5 1 1 A 65 65 GLU H H 65 7.992 7.576 0.416 1
1 756 . 5 1 1 A 65 65 GLU HA H 65 3.542 4.168 -0.626 1
1 761 . 5 1 1 A 65 65 GLU C C 65 177.842 179.110 -1.268 1
1 762 . 5 1 1 A 65 65 GLU CA C 65 59.560 58.656 0.904 1
1 763 . 5 1 1 A 65 65 GLU CB C 65 29.100 29.448 -0.348 1
1 765 . 5 1 1 A 65 65 GLU N N 65 123.846 119.993 3.853 1
1 766 . 5 1 1 A 66 66 LEU H H 66 8.100 8.405 -0.305 1
1 767 . 5 1 1 A 66 66 LEU HA H 66 3.783 3.962 -0.179 1
1 777 . 5 1 1 A 66 66 LEU C C 66 178.893 179.116 -0.223 1
1 778 . 5 1 1 A 66 66 LEU CA C 66 58.610 57.984 0.626 1
1 779 . 5 1 1 A 66 66 LEU CB C 66 41.510 41.097 0.413 1
1 783 . 5 1 1 A 66 66 LEU N N 66 119.444 120.204 -0.760 1
1 784 . 5 1 1 A 67 67 ARG H H 67 7.870 8.212 -0.342 1
1 785 . 5 1 1 A 67 67 ARG HA H 67 4.095 3.868 0.227 1
1 792 . 5 1 1 A 67 67 ARG C C 67 179.484 178.082 1.402 1
1 793 . 5 1 1 A 67 67 ARG CA C 67 59.490 59.675 -0.185 1
1 794 . 5 1 1 A 67 67 ARG CB C 67 30.230 30.055 0.175 1
1 797 . 5 1 1 A 67 67 ARG N N 67 118.088 119.925 -1.837 1
1 798 . 5 1 1 A 68 68 ALA H H 68 7.820 7.559 0.261 1
1 799 . 5 1 1 A 68 68 ALA HA H 68 4.188 4.072 0.116 1
1 803 . 5 1 1 A 68 68 ALA C C 68 181.626 180.176 1.450 1
1 804 . 5 1 1 A 68 68 ALA CA C 68 54.840 55.066 -0.226 1
1 805 . 5 1 1 A 68 68 ALA CB C 68 18.400 18.406 -0.006 1
1 806 . 5 1 1 A 68 68 ALA N N 68 123.318 121.476 1.842 1
1 807 . 5 1 1 A 69 69 ILE H H 69 8.643 7.779 0.864 1
1 808 . 5 1 1 A 69 69 ILE HA H 69 3.539 3.758 -0.219 1
1 818 . 5 1 1 A 69 69 ILE C C 69 177.290 177.513 -0.223 1
1 819 . 5 1 1 A 69 69 ILE CA C 69 66.370 65.391 0.979 1
1 820 . 5 1 1 A 69 69 ILE CB C 69 38.090 37.937 0.153 1
1 824 . 5 1 1 A 69 69 ILE N N 69 122.954 119.045 3.909 1
1 825 . 5 1 1 A 70 70 ASP H H 70 8.415 8.530 -0.115 1
1 826 . 5 1 1 A 70 70 ASP HA H 70 4.336 4.388 -0.052 1
1 829 . 5 1 1 A 70 70 ASP C C 70 179.786 178.762 1.024 1
1 830 . 5 1 1 A 70 70 ASP CA C 70 58.130 57.054 1.076 1
1 831 . 5 1 1 A 70 70 ASP CB C 70 40.310 40.304 0.006 1
1 832 . 5 1 1 A 70 70 ASP N N 70 121.571 119.511 2.060 1
1 833 . 5 1 1 A 71 71 ALA H H 71 7.869 7.908 -0.039 1
1 834 . 5 1 1 A 71 71 ALA HA H 71 4.215 4.159 0.056 1
1 838 . 5 1 1 A 71 71 ALA C C 71 180.246 179.699 0.547 1
1 839 . 5 1 1 A 71 71 ALA CA C 71 54.500 54.779 -0.279 1
1 840 . 5 1 1 A 71 71 ALA CB C 71 17.680 18.384 -0.704 1
1 841 . 5 1 1 A 71 71 ALA N N 71 121.459 122.900 -1.441 1
1 842 . 5 1 1 A 72 72 ALA H H 72 8.263 7.873 0.390 1
1 843 . 5 1 1 A 72 72 ALA HA H 72 4.045 4.287 -0.242 1
1 847 . 5 1 1 A 72 72 ALA C C 72 179.668 180.534 -0.866 1
1 848 . 5 1 1 A 72 72 ALA CA C 72 55.560 55.215 0.345 1
1 849 . 5 1 1 A 72 72 ALA CB C 72 19.870 18.590 1.280 1
1 850 . 5 1 1 A 72 72 ALA N N 72 123.378 121.110 2.268 1
1 851 . 5 1 1 A 73 73 LEU H H 73 8.790 8.397 0.393 1
1 852 . 5 1 1 A 73 73 LEU HA H 73 3.920 4.017 -0.097 1
1 862 . 5 1 1 A 73 73 LEU C C 73 180.286 179.514 0.772 1
1 863 . 5 1 1 A 73 73 LEU CA C 73 58.130 57.928 0.202 1
1 864 . 5 1 1 A 73 73 LEU CB C 73 41.200 40.961 0.239 1
1 868 . 5 1 1 A 73 73 LEU N N 73 119.015 120.485 -1.470 1
1 869 . 5 1 1 A 74 74 ALA H H 74 7.931 7.870 0.061 1
1 870 . 5 1 1 A 74 74 ALA HA H 74 4.273 4.094 0.179 1
1 874 . 5 1 1 A 74 74 ALA C C 74 180.811 179.740 1.071 1
1 875 . 5 1 1 A 74 74 ALA CA C 74 54.960 54.903 0.057 1
1 876 . 5 1 1 A 74 74 ALA CB C 74 17.690 17.968 -0.278 1
1 877 . 5 1 1 A 74 74 ALA N N 74 124.135 122.140 1.995 1
1 878 . 5 1 1 A 75 75 ARG H H 75 7.898 7.644 0.254 1
1 879 . 5 1 1 A 75 75 ARG HA H 75 4.138 4.089 0.049 1
1 886 . 5 1 1 A 75 75 ARG C C 75 179.721 179.003 0.718 1
1 887 . 5 1 1 A 75 75 ARG CA C 75 60.170 59.263 0.907 1
1 888 . 5 1 1 A 75 75 ARG CB C 75 29.970 30.401 -0.431 1
1 891 . 5 1 1 A 75 75 ARG N N 75 120.143 117.507 2.636 1
1 892 . 5 1 1 A 76 76 ILE H H 76 8.061 7.921 0.140 1
1 893 . 5 1 1 A 76 76 ILE HA H 76 3.697 3.733 -0.036 1
1 903 . 5 1 1 A 76 76 ILE C C 76 179.392 177.687 1.705 1
1 904 . 5 1 1 A 76 76 ILE CA C 76 66.060 65.407 0.653 1
1 905 . 5 1 1 A 76 76 ILE CB C 76 37.240 37.721 -0.481 1
1 909 . 5 1 1 A 76 76 ILE N N 76 121.537 121.576 -0.039 1
1 910 . 5 1 1 A 77 77 ALA H H 77 7.735 8.531 -0.796 1
1 911 . 5 1 1 A 77 77 ALA HA H 77 4.132 4.104 0.028 1
1 915 . 5 1 1 A 77 77 ALA C C 77 179.326 180.105 -0.779 1
1 916 . 5 1 1 A 77 77 ALA CA C 77 54.910 55.300 -0.390 1
1 917 . 5 1 1 A 77 77 ALA CB C 77 17.950 17.985 -0.035 1
1 918 . 5 1 1 A 77 77 ALA N N 77 122.664 123.137 -0.473 1
1 919 . 5 1 1 A 78 78 SER H H 78 7.999 7.583 0.416 1
1 920 . 5 1 1 A 78 78 SER HA H 78 4.472 4.494 -0.022 1
1 923 . 5 1 1 A 78 78 SER C C 78 174.675 174.720 -0.045 1
1 924 . 5 1 1 A 78 78 SER CA C 78 59.260 58.584 0.676 1
1 925 . 5 1 1 A 78 78 SER CB C 78 64.070 63.774 0.296 1
1 926 . 5 1 1 A 78 78 SER N N 78 111.061 110.982 0.079 1
1 927 . 5 1 1 A 79 79 GLY H H 79 7.844 7.878 -0.034 1
1 928 . 5 1 1 A 79 79 GLY HA2 H 79 4.233 3.979 0.254 1
1 929 . 5 1 1 A 79 79 GLY HA3 H 79 4.087 3.995 0.092 1
1 930 . 5 1 1 A 79 79 GLY C C 79 175.687 174.191 1.496 1
1 931 . 5 1 1 A 79 79 GLY CA C 79 46.470 45.813 0.657 1
1 932 . 5 1 1 A 79 79 GLY N N 79 109.909 108.736 1.173 1
1 933 . 5 1 1 A 80 80 THR H H 80 8.408 7.922 0.486 1
1 934 . 5 1 1 A 80 80 THR HA H 80 4.504 4.498 0.006 1
1 939 . 5 1 1 A 80 80 THR C C 80 174.793 174.113 0.680 1
1 940 . 5 1 1 A 80 80 THR CA C 80 60.280 61.427 -1.147 1
1 941 . 5 1 1 A 80 80 THR CB C 80 69.000 69.074 -0.074 1
1 943 . 5 1 1 A 80 80 THR N N 80 109.416 115.592 -6.176 1
1 944 . 5 1 1 A 81 81 PHE H H 81 7.610 7.412 0.198 1
1 945 . 5 1 1 A 81 81 PHE HA H 81 3.944 4.264 -0.320 1
1 950 . 5 1 1 A 81 81 PHE C C 81 176.462 176.858 -0.396 1
1 951 . 5 1 1 A 81 81 PHE CA C 81 59.940 59.834 0.106 1
1 952 . 5 1 1 A 81 81 PHE CB C 81 39.700 38.657 1.043 1
1 954 . 5 1 1 A 81 81 PHE N N 81 123.672 123.423 0.249 1
1 955 . 5 1 1 A 82 82 GLY H H 82 8.827 8.104 0.723 1
1 956 . 5 1 1 A 82 82 GLY HA2 H 82 4.000 3.436 0.564 1
1 957 . 5 1 1 A 82 82 GLY HA3 H 82 2.606 3.660 -1.054 1
1 958 . 5 1 1 A 82 82 GLY C C 82 172.388 173.865 -1.477 1
1 959 . 5 1 1 A 82 82 GLY CA C 82 44.590 45.978 -1.388 1
1 960 . 5 1 1 A 82 82 GLY N N 82 115.493 113.913 1.580 1
1 961 . 5 1 1 A 83 83 THR H H 83 7.265 7.485 -0.220 1
1 962 . 5 1 1 A 83 83 THR HA H 83 4.418 4.691 -0.273 1
1 967 . 5 1 1 A 83 83 THR C C 83 173.808 173.142 0.666 1
1 968 . 5 1 1 A 83 83 THR CA C 83 61.180 61.123 0.057 1
1 969 . 5 1 1 A 83 83 THR CB C 83 70.020 70.981 -0.961 1
1 971 . 5 1 1 A 83 83 THR N N 83 115.366 114.396 0.970 1
1 972 . 5 1 1 A 84 84 CYS H H 84 9.410 8.514 0.896 1
1 973 . 5 1 1 A 84 84 CYS HA H 84 4.339 4.429 -0.090 1
1 976 . 5 1 1 A 84 84 CYS C C 84 177.986 175.568 2.418 1
1 977 . 5 1 1 A 84 84 CYS CA C 84 60.080 59.311 0.769 1
1 978 . 5 1 1 A 84 84 CYS CB C 84 30.630 27.837 2.793 1
1 979 . 5 1 1 A 84 84 CYS N N 84 131.144 125.679 5.465 1
1 980 . 5 1 1 A 85 85 VAL H H 85 8.461 7.945 0.516 1
1 981 . 5 1 1 A 85 85 VAL HA H 85 3.918 3.717 0.201 1
1 989 . 5 1 1 A 85 85 VAL C C 85 175.608 177.569 -1.961 1
1 990 . 5 1 1 A 85 85 VAL CA C 85 64.080 65.117 -1.037 1
1 991 . 5 1 1 A 85 85 VAL CB C 85 31.730 31.279 0.451 1
1 994 . 5 1 1 A 85 85 VAL N N 85 126.221 124.973 1.248 1
1 995 . 5 1 1 A 86 86 LYS H H 86 8.924 8.045 0.879 1
1 996 . 5 1 1 A 86 86 LYS HA H 86 4.496 4.161 0.335 1
1 1005 . 5 1 1 A 86 86 LYS C C 86 177.277 177.542 -0.265 1
1 1006 . 5 1 1 A 86 86 LYS CA C 86 58.500 58.648 -0.148 1
1 1007 . 5 1 1 A 86 86 LYS CB C 86 33.780 32.496 1.284 1
1 1011 . 5 1 1 A 86 86 LYS N N 86 123.551 121.667 1.884 1
1 1012 . 5 1 1 A 87 87 CYS H H 87 8.264 7.559 0.705 1
1 1013 . 5 1 1 A 87 87 CYS HA H 87 4.925 4.627 0.298 1
1 1016 . 5 1 1 A 87 87 CYS C C 87 177.211 175.147 2.064 1
1 1017 . 5 1 1 A 87 87 CYS CA C 87 58.980 59.203 -0.223 1
1 1018 . 5 1 1 A 87 87 CYS CB C 87 33.100 30.354 2.746 1
1 1019 . 5 1 1 A 87 87 CYS N N 87 117.502 115.562 1.940 1
1 1020 . 5 1 1 A 88 88 GLY H H 88 7.655 8.193 -0.538 1
1 1021 . 5 1 1 A 88 88 GLY HA2 H 88 4.159 3.943 0.216 1
1 1022 . 5 1 1 A 88 88 GLY HA3 H 88 3.729 3.945 -0.216 1
1 1023 . 5 1 1 A 88 88 GLY C C 88 173.558 173.681 -0.123 1
1 1024 . 5 1 1 A 88 88 GLY CA C 88 46.300 46.553 -0.253 1
1 1025 . 5 1 1 A 88 88 GLY N N 88 111.948 110.487 1.461 1
1 1026 . 5 1 1 A 89 89 LYS H H 89 8.721 7.270 1.451 1
1 1027 . 5 1 1 A 89 89 LYS HA H 89 4.315 4.975 -0.660 1
1 1036 . 5 1 1 A 89 89 LYS C C 89 176.659 175.161 1.498 1
1 1037 . 5 1 1 A 89 89 LYS CA C 89 56.860 54.392 2.468 1
1 1038 . 5 1 1 A 89 89 LYS CB C 89 33.540 35.046 -1.506 1
1 1042 . 5 1 1 A 89 89 LYS N N 89 123.614 114.915 8.699 1
1 1043 . 5 1 1 A 90 90 ARG H H 90 8.415 8.306 0.109 1
1 1044 . 5 1 1 A 90 90 ARG HA H 90 4.299 4.491 -0.192 1
1 1051 . 5 1 1 A 90 90 ARG C C 90 176.041 175.766 0.275 1
1 1052 . 5 1 1 A 90 90 ARG CA C 90 56.030 56.251 -0.221 1
1 1053 . 5 1 1 A 90 90 ARG CB C 90 29.470 31.054 -1.584 1
1 1056 . 5 1 1 A 90 90 ARG N N 90 121.880 119.998 1.882 1
1 1057 . 5 1 1 A 91 91 ILE H H 91 8.334 8.193 0.141 1
1 1058 . 5 1 1 A 91 91 ILE HA H 91 3.668 4.488 -0.820 1
1 1068 . 5 1 1 A 91 91 ILE C C 91 175.003 175.921 -0.918 1
1 1069 . 5 1 1 A 91 91 ILE CA C 91 61.810 60.096 1.714 1
1 1070 . 5 1 1 A 91 91 ILE CB C 91 38.920 40.323 -1.403 1
1 1074 . 5 1 1 A 91 91 ILE N N 91 128.410 121.776 6.634 1
1 1075 . 5 1 1 A 92 92 SER H H 92 8.551 8.578 -0.027 1
1 1076 . 5 1 1 A 92 92 SER HA H 92 4.180 4.605 -0.425 1
1 1079 . 5 1 1 A 92 92 SER C C 92 175.108 175.323 -0.215 1
1 1080 . 5 1 1 A 92 92 SER CA C 92 58.460 57.558 0.902 1
1 1081 . 5 1 1 A 92 92 SER CB C 92 64.180 64.912 -0.732 1
1 1082 . 5 1 1 A 92 92 SER N N 92 124.170 120.196 3.974 1
1 1083 . 5 1 1 A 93 93 GLU H H 93 8.912 8.974 -0.062 1
1 1084 . 5 1 1 A 93 93 GLU HA H 93 3.939 3.977 -0.038 1
1 1089 . 5 1 1 A 93 93 GLU C C 93 178.144 177.969 0.175 1
1 1090 . 5 1 1 A 93 93 GLU CA C 93 60.080 59.611 0.469 1
1 1091 . 5 1 1 A 93 93 GLU CB C 93 29.960 29.375 0.585 1
1 1093 . 5 1 1 A 93 93 GLU N N 93 123.996 122.094 1.902 1
1 1094 . 5 1 1 A 94 94 ASP H H 94 8.311 8.180 0.131 1
1 1095 . 5 1 1 A 94 94 ASP HA H 94 4.252 4.432 -0.180 1
1 1098 . 5 1 1 A 94 94 ASP C C 94 178.472 178.699 -0.227 1
1 1099 . 5 1 1 A 94 94 ASP CA C 94 57.240 56.786 0.454 1
1 1100 . 5 1 1 A 94 94 ASP CB C 94 40.420 40.048 0.372 1
1 1101 . 5 1 1 A 94 94 ASP N N 94 116.432 120.204 -3.772 1
1 1102 . 5 1 1 A 95 95 ARG H H 95 7.365 7.952 -0.587 1
1 1103 . 5 1 1 A 95 95 ARG HA H 95 4.067 4.116 -0.049 1
1 1110 . 5 1 1 A 95 95 ARG C C 95 177.237 178.777 -1.540 1
1 1111 . 5 1 1 A 95 95 ARG CA C 95 58.870 58.947 -0.077 1
1 1112 . 5 1 1 A 95 95 ARG CB C 95 29.100 29.964 -0.864 1
1 1115 . 5 1 1 A 95 95 ARG N N 95 121.517 120.438 1.079 1
1 1116 . 5 1 1 A 96 96 LEU H H 96 7.831 7.964 -0.133 1
1 1117 . 5 1 1 A 96 96 LEU HA H 96 3.735 3.961 -0.226 1
1 1127 . 5 1 1 A 96 96 LEU C C 96 177.855 179.383 -1.528 1
1 1128 . 5 1 1 A 96 96 LEU CA C 96 56.930 57.297 -0.367 1
1 1129 . 5 1 1 A 96 96 LEU CB C 96 41.300 41.080 0.220 1
1 1133 . 5 1 1 A 96 96 LEU N N 96 119.073 119.511 -0.438 1
1 1134 . 5 1 1 A 97 97 LYS H H 97 8.098 8.407 -0.309 1
1 1135 . 5 1 1 A 97 97 LYS HA H 97 4.014 4.284 -0.270 1
1 1144 . 5 1 1 A 97 97 LYS C C 97 178.433 178.731 -0.298 1
1 1145 . 5 1 1 A 97 97 LYS CA C 97 59.080 59.087 -0.007 1
1 1146 . 5 1 1 A 97 97 LYS CB C 97 32.830 32.066 0.764 1
1 1150 . 5 1 1 A 97 97 LYS N N 97 114.647 118.794 -4.147 1
1 1151 . 5 1 1 A 98 98 ALA H H 98 7.011 7.359 -0.348 1
1 1152 . 5 1 1 A 98 98 ALA HA H 98 4.196 4.259 -0.063 1
1 1156 . 5 1 1 A 98 98 ALA C C 98 178.814 177.889 0.925 1
1 1157 . 5 1 1 A 98 98 ALA CA C 98 54.480 54.003 0.477 1
1 1158 . 5 1 1 A 98 98 ALA CB C 98 19.380 19.605 -0.225 1
1 1159 . 5 1 1 A 98 98 ALA N N 98 119.536 120.836 -1.300 1
1 1160 . 5 1 1 A 99 99 VAL H H 99 8.133 7.731 0.402 1
1 1161 . 5 1 1 A 99 99 VAL HA H 99 4.098 4.096 0.002 1
1 1169 . 5 1 1 A 99 99 VAL CA C 99 58.260 59.212 -0.952 1
1 1170 . 5 1 1 A 99 99 VAL CB C 99 32.530 32.645 -0.115 1
1 1173 . 5 1 1 A 99 99 VAL N N 99 114.735 114.998 -0.263 1
1 1174 . 5 1 1 A 100 100 PRO HA H 100 4.761 4.616 0.145 1
1 1181 . 5 1 1 A 100 100 PRO C C 100 175.437 177.052 -1.615 1
1 1182 . 5 1 1 A 100 100 PRO CA C 100 65.370 64.175 1.195 1
1 1183 . 5 1 1 A 100 100 PRO CB C 100 31.190 31.930 -0.740 1
1 1186 . 5 1 1 A 101 101 TYR H H 101 6.053 7.730 -1.677 1
1 1187 . 5 1 1 A 101 101 TYR HA H 101 4.463 4.764 -0.301 1
1 1194 . 5 1 1 A 101 101 TYR C C 101 175.871 174.169 1.702 1
1 1195 . 5 1 1 A 101 101 TYR CA C 101 53.920 56.291 -2.371 1
1 1196 . 5 1 1 A 101 101 TYR CB C 101 38.230 38.322 -0.092 1
1 1199 . 5 1 1 A 101 101 TYR N N 101 108.211 115.483 -7.272 1
1 1200 . 5 1 1 A 102 102 THR H H 102 7.466 8.178 -0.712 1
1 1201 . 5 1 1 A 102 102 THR HA H 102 4.384 4.742 -0.358 1
1 1206 . 5 1 1 A 102 102 THR CA C 102 60.030 58.038 1.992 1
1 1207 . 5 1 1 A 102 102 THR CB C 102 69.600 71.228 -1.628 1
1 1209 . 5 1 1 A 102 102 THR N N 102 120.556 116.416 4.140 1
1 1210 . 5 1 1 A 103 103 PRO HA H 103 4.244 4.285 -0.041 1
1 1217 . 5 1 1 A 103 103 PRO C C 103 176.344 176.053 0.291 1
1 1218 . 5 1 1 A 103 103 PRO CA C 103 62.400 64.282 -1.882 1
1 1219 . 5 1 1 A 103 103 PRO CB C 103 32.250 31.649 0.601 1
1 1222 . 5 1 1 A 104 104 PHE H H 104 7.365 7.321 0.044 1
1 1223 . 5 1 1 A 104 104 PHE HA H 104 6.207 4.858 1.349 1
1 1230 . 5 1 1 A 104 104 PHE C C 104 176.133 175.933 0.200 1
1 1231 . 5 1 1 A 104 104 PHE CA C 104 55.220 56.918 -1.698 1
1 1232 . 5 1 1 A 104 104 PHE CB C 104 44.480 40.899 3.581 1
1 1235 . 5 1 1 A 104 104 PHE N N 104 115.933 117.806 -1.873 1
1 1236 . 5 1 1 A 105 105 CYS H H 105 9.248 8.872 0.376 1
1 1237 . 5 1 1 A 105 105 CYS HA H 105 4.638 4.604 0.034 1
1 1240 . 5 1 1 A 105 105 CYS C C 105 174.254 175.529 -1.275 1
1 1241 . 5 1 1 A 105 105 CYS CA C 105 58.060 58.475 -0.415 1
1 1242 . 5 1 1 A 105 105 CYS CB C 105 31.250 29.762 1.488 1
1 1243 . 5 1 1 A 105 105 CYS N N 105 118.999 121.096 -2.097 1
1 1244 . 5 1 1 A 106 106 GLN H H 106 8.865 8.994 -0.129 1
1 1245 . 5 1 1 A 106 106 GLN HA H 106 3.611 3.920 -0.309 1
1 1252 . 5 1 1 A 106 106 GLN C C 106 177.250 177.864 -0.614 1
1 1253 . 5 1 1 A 106 106 GLN CA C 106 59.430 59.608 -0.178 1
1 1254 . 5 1 1 A 106 106 GLN CB C 106 28.750 28.780 -0.030 1
1 1256 . 5 1 1 A 106 106 GLN N N 106 119.606 122.554 -2.948 1
1 1258 . 5 1 1 A 107 107 GLU H H 107 8.134 8.354 -0.220 1
1 1259 . 5 1 1 A 107 107 GLU HA H 107 3.959 4.105 -0.146 1
1 1264 . 5 1 1 A 107 107 GLU C C 107 179.616 178.332 1.284 1
1 1265 . 5 1 1 A 107 107 GLU CA C 107 60.110 59.400 0.710 1
1 1266 . 5 1 1 A 107 107 GLU CB C 107 29.990 29.151 0.839 1
1 1268 . 5 1 1 A 107 107 GLU N N 107 119.554 117.107 2.447 1
1 1269 . 5 1 1 A 108 108 CYS H H 108 8.681 8.276 0.405 1
1 1270 . 5 1 1 A 108 108 CYS HA H 108 3.783 4.393 -0.610 1
1 1273 . 5 1 1 A 108 108 CYS C C 108 177.868 176.802 1.066 1
1 1274 . 5 1 1 A 108 108 CYS CA C 108 64.110 62.911 1.199 1
1 1275 . 5 1 1 A 108 108 CYS CB C 108 29.270 27.252 2.018 1
1 1276 . 5 1 1 A 108 108 CYS N N 108 123.406 118.270 5.136 1
1 1277 . 5 1 1 A 109 109 ALA H H 109 8.094 8.114 -0.020 1
1 1278 . 5 1 1 A 109 109 ALA HA H 109 3.693 4.079 -0.386 1
1 1282 . 5 1 1 A 109 109 ALA C C 109 178.591 179.773 -1.182 1
1 1283 . 5 1 1 A 109 109 ALA CA C 109 53.710 55.064 -1.354 1
1 1284 . 5 1 1 A 109 109 ALA CB C 109 18.430 18.511 -0.081 1
1 1285 . 5 1 1 A 109 109 ALA N N 109 120.579 122.421 -1.842 1
1 1286 . 5 1 1 A 110 110 ALA H H 110 7.402 7.892 -0.490 1
1 1287 . 5 1 1 A 110 110 ALA HA H 110 4.111 4.144 -0.033 1
1 1291 . 5 1 1 A 110 110 ALA C C 110 177.408 177.820 -0.412 1
1 1292 . 5 1 1 A 110 110 ALA CA C 110 53.000 54.439 -1.439 1
1 1293 . 5 1 1 A 110 110 ALA CB C 110 18.710 18.332 0.378 1
1 1294 . 5 1 1 A 110 110 ALA N N 110 118.992 119.603 -0.611 1
1 1295 . 5 1 1 A 111 111 ALA H H 111 7.247 7.446 -0.199 1
1 1296 . 5 1 1 A 111 111 ALA HA H 111 4.300 4.585 -0.285 1
1 1300 . 5 1 1 A 111 111 ALA C C 111 176.488 177.241 -0.753 1
1 1301 . 5 1 1 A 111 111 ALA CA C 111 51.840 51.034 0.806 1
1 1302 . 5 1 1 A 111 111 ALA CB C 111 19.210 19.627 -0.417 1
1 1303 . 5 1 1 A 111 111 ALA N N 111 120.857 118.433 2.424 1
1 19 . 6 1 1 A 2 2 ALA H H 2 8.460 8.842 -0.382 1
1 20 . 6 1 1 A 2 2 ALA HA H 2 4.304 3.882 0.422 1
1 24 . 6 1 1 A 2 2 ALA C C 2 178.183 178.697 -0.514 1
1 25 . 6 1 1 A 2 2 ALA CA C 2 52.760 54.889 -2.129 1
1 26 . 6 1 1 A 2 2 ALA CB C 2 19.150 17.851 1.299 1
1 27 . 6 1 1 A 2 2 ALA N N 2 125.375 126.170 -0.795 1
1 28 . 6 1 1 A 3 3 GLY H H 3 8.343 8.208 0.135 1
1 29 . 6 1 1 A 3 3 GLY N N 3 108.577 107.570 1.007 1
1 30 . 6 1 1 A 5 5 LYS HA H 5 4.355 4.291 0.064 1
1 39 . 6 1 1 A 5 5 LYS CA C 5 56.170 56.383 -0.213 1
1 40 . 6 1 1 A 5 5 LYS CB C 5 33.170 32.716 0.454 1
1 44 . 6 1 1 A 6 6 SER HA H 6 4.429 4.785 -0.356 1
1 47 . 6 1 1 A 6 6 SER CA C 6 58.390 55.765 2.625 1
1 48 . 6 1 1 A 6 6 SER CB C 6 64.040 64.904 -0.864 1
1 49 . 6 1 1 A 7 7 MET HA H 7 4.435 4.191 0.244 1
1 57 . 6 1 1 A 7 7 MET CA C 7 55.610 58.509 -2.899 1
1 58 . 6 1 1 A 7 7 MET CB C 7 33.550 33.213 0.337 1
1 61 . 6 1 1 A 8 8 ASN HA H 8 4.837 4.402 0.435 1
1 66 . 6 1 1 A 8 8 ASN C C 8 175.910 175.151 0.759 1
1 67 . 6 1 1 A 8 8 ASN CA C 8 52.310 53.861 -1.551 1
1 68 . 6 1 1 A 8 8 ASN CB C 8 38.190 36.622 1.568 1
1 70 . 6 1 1 A 9 9 VAL H H 9 8.400 7.735 0.665 1
1 71 . 6 1 1 A 9 9 VAL HA H 9 3.908 4.005 -0.097 1
1 79 . 6 1 1 A 9 9 VAL C C 9 176.738 177.778 -1.040 1
1 80 . 6 1 1 A 9 9 VAL CA C 9 65.550 67.183 -1.633 1
1 81 . 6 1 1 A 9 9 VAL CB C 9 31.970 31.607 0.363 1
1 84 . 6 1 1 A 9 9 VAL N N 9 121.216 120.121 1.095 1
1 85 . 6 1 1 A 10 10 GLU H H 10 8.596 8.390 0.206 1
1 86 . 6 1 1 A 10 10 GLU HA H 10 4.077 3.915 0.162 1
1 91 . 6 1 1 A 10 10 GLU C C 10 178.985 179.400 -0.415 1
1 92 . 6 1 1 A 10 10 GLU CA C 10 59.390 59.639 -0.249 1
1 93 . 6 1 1 A 10 10 GLU CB C 10 29.000 29.232 -0.232 1
1 95 . 6 1 1 A 10 10 GLU N N 10 121.274 120.376 0.898 1
1 96 . 6 1 1 A 11 11 SER H H 11 7.841 8.064 -0.223 1
1 97 . 6 1 1 A 11 11 SER HA H 11 4.138 4.107 0.031 1
1 100 . 6 1 1 A 11 11 SER C C 11 176.817 176.308 0.509 1
1 101 . 6 1 1 A 11 11 SER CA C 11 60.790 62.211 -1.421 1
1 102 . 6 1 1 A 11 11 SER CB C 11 62.470 63.043 -0.573 1
1 103 . 6 1 1 A 11 11 SER N N 11 115.238 116.511 -1.273 1
1 104 . 6 1 1 A 12 12 TYR H H 12 7.284 7.533 -0.249 1
1 105 . 6 1 1 A 12 12 TYR HA H 12 4.104 4.293 -0.189 1
1 112 . 6 1 1 A 12 12 TYR C C 12 177.132 178.071 -0.939 1
1 113 . 6 1 1 A 12 12 TYR CA C 12 62.060 61.673 0.387 1
1 114 . 6 1 1 A 12 12 TYR CB C 12 38.710 37.773 0.937 1
1 117 . 6 1 1 A 12 12 TYR N N 12 120.370 120.070 0.300 1
1 118 . 6 1 1 A 13 13 GLU H H 13 8.490 8.553 -0.063 1
1 119 . 6 1 1 A 13 13 GLU HA H 13 3.432 3.872 -0.440 1
1 124 . 6 1 1 A 13 13 GLU C C 13 177.303 178.643 -1.340 1
1 125 . 6 1 1 A 13 13 GLU CA C 13 60.660 59.542 1.118 1
1 126 . 6 1 1 A 13 13 GLU CB C 13 29.200 28.684 0.516 1
1 128 . 6 1 1 A 13 13 GLU N N 13 120.162 120.945 -0.783 1
1 129 . 6 1 1 A 14 14 LYS H H 14 7.454 7.871 -0.417 1
1 130 . 6 1 1 A 14 14 LYS HA H 14 3.900 4.065 -0.165 1
1 139 . 6 1 1 A 14 14 LYS C C 14 178.249 178.750 -0.501 1
1 140 . 6 1 1 A 14 14 LYS CA C 14 59.620 59.015 0.605 1
1 141 . 6 1 1 A 14 14 LYS CB C 14 32.420 31.986 0.434 1
1 145 . 6 1 1 A 14 14 LYS N N 14 117.838 118.430 -0.592 1
1 146 . 6 1 1 A 15 15 ILE H H 15 7.409 7.629 -0.220 1
1 147 . 6 1 1 A 15 15 ILE HA H 15 3.822 3.936 -0.114 1
1 157 . 6 1 1 A 15 15 ILE C C 15 179.668 177.995 1.673 1
1 158 . 6 1 1 A 15 15 ILE CA C 15 65.030 63.096 1.934 1
1 159 . 6 1 1 A 15 15 ILE CB C 15 38.950 37.795 1.155 1
1 163 . 6 1 1 A 15 15 ILE N N 15 118.597 120.477 -1.880 1
1 164 . 6 1 1 A 16 16 LEU H H 16 8.407 7.970 0.437 1
1 165 . 6 1 1 A 16 16 LEU HA H 16 3.992 3.952 0.040 1
1 175 . 6 1 1 A 16 16 LEU C C 16 178.512 179.053 -0.541 1
1 176 . 6 1 1 A 16 16 LEU CA C 16 58.230 57.938 0.292 1
1 177 . 6 1 1 A 16 16 LEU CB C 16 42.130 40.929 1.201 1
1 181 . 6 1 1 A 16 16 LEU N N 16 120.642 121.085 -0.443 1
1 182 . 6 1 1 A 17 17 ARG H H 17 8.789 8.088 0.701 1
1 183 . 6 1 1 A 17 17 ARG HA H 17 3.917 4.024 -0.107 1
1 190 . 6 1 1 A 17 17 ARG C C 17 179.602 179.010 0.592 1
1 191 . 6 1 1 A 17 17 ARG CA C 17 60.080 59.333 0.747 1
1 192 . 6 1 1 A 17 17 ARG CB C 17 29.620 30.057 -0.437 1
1 195 . 6 1 1 A 17 17 ARG N N 17 119.196 118.946 0.250 1
1 196 . 6 1 1 A 18 18 ASP H H 18 8.638 8.364 0.274 1
1 197 . 6 1 1 A 18 18 ASP HA H 18 4.418 4.356 0.062 1
1 200 . 6 1 1 A 18 18 ASP C C 18 179.116 179.089 0.027 1
1 201 . 6 1 1 A 18 18 ASP CA C 18 57.330 57.397 -0.067 1
1 202 . 6 1 1 A 18 18 ASP CB C 18 39.700 40.095 -0.395 1
1 203 . 6 1 1 A 18 18 ASP N N 18 121.383 119.745 1.638 1
1 204 . 6 1 1 A 19 19 ARG H H 19 7.947 7.891 0.056 1
1 205 . 6 1 1 A 19 19 ARG HA H 19 4.180 4.091 0.089 1
1 212 . 6 1 1 A 19 19 ARG C C 19 177.855 178.846 -0.991 1
1 213 . 6 1 1 A 19 19 ARG CA C 19 57.680 59.394 -1.714 1
1 214 . 6 1 1 A 19 19 ARG CB C 19 29.540 29.744 -0.204 1
1 217 . 6 1 1 A 19 19 ARG N N 19 121.506 119.448 2.058 1
1 218 . 6 1 1 A 20 20 GLN H H 20 8.691 8.093 0.598 1
1 219 . 6 1 1 A 20 20 GLN HA H 20 3.589 3.746 -0.157 1
1 226 . 6 1 1 A 20 20 GLN C C 20 176.896 177.839 -0.943 1
1 227 . 6 1 1 A 20 20 GLN CA C 20 59.620 58.507 1.113 1
1 228 . 6 1 1 A 20 20 GLN CB C 20 30.020 27.551 2.469 1
1 230 . 6 1 1 A 20 20 GLN N N 20 120.162 117.797 2.365 1
1 232 . 6 1 1 A 21 21 ARG H H 21 7.959 7.712 0.247 1
1 233 . 6 1 1 A 21 21 ARG HA H 21 3.973 4.337 -0.364 1
1 240 . 6 1 1 A 21 21 ARG C C 21 178.985 179.117 -0.132 1
1 241 . 6 1 1 A 21 21 ARG CA C 21 59.800 59.687 0.113 1
1 242 . 6 1 1 A 21 21 ARG CB C 21 29.980 30.086 -0.106 1
1 245 . 6 1 1 A 21 21 ARG N N 21 117.219 119.413 -2.194 1
1 246 . 6 1 1 A 22 22 GLU H H 22 7.700 8.084 -0.384 1
1 247 . 6 1 1 A 22 22 GLU HA H 22 4.076 4.146 -0.070 1
1 252 . 6 1 1 A 22 22 GLU C C 22 179.090 178.295 0.795 1
1 253 . 6 1 1 A 22 22 GLU CA C 22 58.950 59.158 -0.208 1
1 254 . 6 1 1 A 22 22 GLU CB C 22 29.580 28.653 0.927 1
1 256 . 6 1 1 A 22 22 GLU N N 22 119.703 118.565 1.138 1
1 257 . 6 1 1 A 23 23 LEU H H 23 8.264 7.625 0.639 1
1 258 . 6 1 1 A 23 23 LEU HA H 23 3.979 4.149 -0.170 1
1 268 . 6 1 1 A 23 23 LEU C C 23 179.234 178.683 0.551 1
1 269 . 6 1 1 A 23 23 LEU CA C 23 57.990 57.239 0.751 1
1 270 . 6 1 1 A 23 23 LEU CB C 23 42.370 41.868 0.502 1
1 274 . 6 1 1 A 23 23 LEU N N 23 119.988 121.090 -1.102 1
1 275 . 6 1 1 A 24 24 TYR H H 24 8.688 8.164 0.524 1
1 276 . 6 1 1 A 24 24 TYR HA H 24 4.084 4.210 -0.126 1
1 283 . 6 1 1 A 24 24 TYR C C 24 178.630 179.119 -0.489 1
1 284 . 6 1 1 A 24 24 TYR CA C 24 61.670 60.956 0.714 1
1 285 . 6 1 1 A 24 24 TYR CB C 24 37.780 38.025 -0.245 1
1 288 . 6 1 1 A 24 24 TYR N N 24 119.101 118.707 0.394 1
1 289 . 6 1 1 A 25 25 ARG H H 25 7.945 7.990 -0.045 1
1 290 . 6 1 1 A 25 25 ARG HA H 25 4.043 4.201 -0.158 1
1 297 . 6 1 1 A 25 25 ARG C C 25 178.683 178.784 -0.101 1
1 298 . 6 1 1 A 25 25 ARG CA C 25 59.460 58.688 0.772 1
1 299 . 6 1 1 A 25 25 ARG CB C 25 30.160 29.736 0.424 1
1 302 . 6 1 1 A 25 25 ARG N N 25 118.297 118.203 0.094 1
1 303 . 6 1 1 A 26 26 ARG H H 26 7.726 7.636 0.090 1
1 304 . 6 1 1 A 26 26 ARG HA H 26 4.067 4.111 -0.044 1
1 311 . 6 1 1 A 26 26 ARG C C 26 177.986 178.899 -0.913 1
1 312 . 6 1 1 A 26 26 ARG CA C 26 58.300 59.087 -0.787 1
1 313 . 6 1 1 A 26 26 ARG CB C 26 30.670 29.878 0.792 1
1 316 . 6 1 1 A 26 26 ARG N N 26 118.100 120.133 -2.033 1
1 317 . 6 1 1 A 27 27 LEU H H 27 7.971 7.942 0.029 1
1 318 . 6 1 1 A 27 27 LEU HA H 27 4.095 4.121 -0.026 1
1 328 . 6 1 1 A 27 27 LEU C C 27 177.461 177.992 -0.531 1
1 329 . 6 1 1 A 27 27 LEU CA C 27 56.260 57.419 -1.159 1
1 330 . 6 1 1 A 27 27 LEU CB C 27 42.260 41.453 0.807 1
1 334 . 6 1 1 A 27 27 LEU N N 27 118.633 117.114 1.519 1
1 335 . 6 1 1 A 28 28 HIS H H 28 7.863 7.852 0.011 1
1 336 . 6 1 1 A 28 28 HIS HA H 28 4.482 4.806 -0.324 1
1 341 . 6 1 1 A 28 28 HIS C C 28 174.741 176.305 -1.564 1
1 342 . 6 1 1 A 28 28 HIS CA C 28 56.310 56.039 0.271 1
1 343 . 6 1 1 A 28 28 HIS CB C 28 29.300 29.199 0.101 1
1 346 . 6 1 1 A 28 28 HIS N N 28 116.767 117.546 -0.779 1
1 347 . 6 1 1 A 29 29 LYS H H 29 7.893 8.469 -0.576 1
1 348 . 6 1 1 A 29 29 LYS HA H 29 4.172 4.016 0.156 1
1 357 . 6 1 1 A 29 29 LYS C C 29 176.357 178.141 -1.784 1
1 358 . 6 1 1 A 29 29 LYS CA C 29 56.830 58.905 -2.075 1
1 359 . 6 1 1 A 29 29 LYS CB C 29 32.000 31.544 0.456 1
1 363 . 6 1 1 A 29 29 LYS N N 29 120.331 118.471 1.860 1
1 364 . 6 1 1 A 30 30 ILE H H 30 7.995 7.615 0.380 1
1 365 . 6 1 1 A 30 30 ILE HA H 30 4.085 3.885 0.200 1
1 375 . 6 1 1 A 30 30 ILE C C 30 176.344 177.575 -1.231 1
1 376 . 6 1 1 A 30 30 ILE CA C 30 61.440 64.234 -2.794 1
1 377 . 6 1 1 A 30 30 ILE CB C 30 39.020 37.413 1.607 1
1 381 . 6 1 1 A 30 30 ILE N N 30 120.440 117.027 3.413 1
1 382 . 6 1 1 A 31 31 GLU H H 31 8.367 7.451 0.916 1
1 383 . 6 1 1 A 31 31 GLU HA H 31 4.159 4.397 -0.238 1
1 388 . 6 1 1 A 31 31 GLU C C 31 176.265 176.934 -0.669 1
1 389 . 6 1 1 A 31 31 GLU CA C 31 56.890 57.650 -0.760 1
1 390 . 6 1 1 A 31 31 GLU CB C 31 30.050 30.811 -0.761 1
1 392 . 6 1 1 A 31 31 GLU N N 31 124.043 119.542 4.501 1
1 393 . 6 1 1 A 32 32 ALA H H 32 8.138 7.741 0.397 1
1 394 . 6 1 1 A 32 32 ALA HA H 32 4.175 4.507 -0.332 1
1 398 . 6 1 1 A 32 32 ALA C C 32 177.198 178.013 -0.815 1
1 399 . 6 1 1 A 32 32 ALA CA C 32 52.620 51.766 0.854 1
1 400 . 6 1 1 A 32 32 ALA CB C 32 19.490 20.119 -0.629 1
1 401 . 6 1 1 A 32 32 ALA N N 32 124.170 122.290 1.880 1
1 402 . 6 1 1 A 33 33 ASP H H 33 8.157 9.055 -0.898 1
1 403 . 6 1 1 A 33 33 ASP HA H 33 4.467 4.548 -0.081 1
1 406 . 6 1 1 A 33 33 ASP C C 33 175.910 175.837 0.073 1
1 407 . 6 1 1 A 33 33 ASP CA C 33 54.500 54.274 0.226 1
1 408 . 6 1 1 A 33 33 ASP CB C 33 40.750 40.584 0.166 1
1 409 . 6 1 1 A 33 33 ASP N N 33 118.904 124.785 -5.881 1
1 410 . 6 1 1 A 34 34 PHE H H 34 7.884 8.081 -0.197 1
1 411 . 6 1 1 A 34 34 PHE HA H 34 4.514 4.214 0.300 1
1 418 . 6 1 1 A 34 34 PHE C C 34 175.319 175.941 -0.622 1
1 419 . 6 1 1 A 34 34 PHE CA C 34 57.610 58.700 -1.090 1
1 420 . 6 1 1 A 34 34 PHE CB C 34 39.840 37.112 2.728 1
1 423 . 6 1 1 A 34 34 PHE N N 34 119.439 117.583 1.856 1
1 424 . 6 1 1 A 35 35 GLU H H 35 8.084 8.052 0.032 1
1 425 . 6 1 1 A 35 35 GLU HA H 35 4.190 4.003 0.187 1
1 430 . 6 1 1 A 35 35 GLU C C 35 175.634 176.169 -0.535 1
1 431 . 6 1 1 A 35 35 GLU CA C 35 56.140 59.379 -3.239 1
1 432 . 6 1 1 A 35 35 GLU CB C 35 30.810 30.435 0.375 1
1 434 . 6 1 1 A 35 35 GLU N N 35 122.340 122.549 -0.209 1
1 435 . 6 1 1 A 36 36 GLU H H 36 8.172 7.749 0.423 1
1 436 . 6 1 1 A 36 36 GLU HA H 36 4.442 3.614 0.828 1
1 441 . 6 1 1 A 36 36 GLU CA C 36 54.300 56.777 -2.477 1
1 442 . 6 1 1 A 36 36 GLU CB C 36 29.490 27.809 1.681 1
1 444 . 6 1 1 A 36 36 GLU N N 36 123.278 118.854 4.424 1
1 445 . 6 1 1 A 37 37 PRO HA H 37 4.339 4.568 -0.229 1
1 452 . 6 1 1 A 37 37 PRO C C 37 175.818 177.744 -1.926 1
1 453 . 6 1 1 A 37 37 PRO CA C 37 62.800 62.902 -0.102 1
1 454 . 6 1 1 A 37 37 PRO CB C 37 31.900 31.708 0.192 1
1 457 . 6 1 1 A 38 38 ARG H H 38 8.412 8.974 -0.562 1
1 458 . 6 1 1 A 38 38 ARG HA H 38 4.255 4.016 0.239 1
1 465 . 6 1 1 A 38 38 ARG C C 38 175.818 176.146 -0.328 1
1 466 . 6 1 1 A 38 38 ARG CA C 38 55.350 58.004 -2.654 1
1 467 . 6 1 1 A 38 38 ARG CB C 38 31.010 30.409 0.601 1
1 470 . 6 1 1 A 38 38 ARG N N 38 121.791 121.656 0.135 1
1 471 . 6 1 1 A 39 39 ASN H H 39 8.624 7.743 0.881 1
1 472 . 6 1 1 A 39 39 ASN HA H 39 4.906 5.282 -0.376 1
1 477 . 6 1 1 A 39 39 ASN CA C 39 51.100 50.488 0.612 1
1 478 . 6 1 1 A 39 39 ASN CB C 39 38.560 40.838 -2.278 1
1 479 . 6 1 1 A 39 39 ASN N N 39 121.594 114.957 6.637 1
1 481 . 6 1 1 A 40 40 PRO HA H 40 4.310 4.676 -0.366 1
1 488 . 6 1 1 A 40 40 PRO C C 40 176.896 176.213 0.683 1
1 489 . 6 1 1 A 40 40 PRO CA C 40 63.970 62.096 1.874 1
1 490 . 6 1 1 A 40 40 PRO CB C 40 32.210 29.082 3.128 1
1 493 . 6 1 1 A 41 41 ASP H H 41 8.219 8.663 -0.444 1
1 494 . 6 1 1 A 41 41 ASP HA H 41 4.516 4.347 0.169 1
1 497 . 6 1 1 A 41 41 ASP C C 41 176.252 176.677 -0.425 1
1 498 . 6 1 1 A 41 41 ASP CA C 41 54.740 57.065 -2.325 1
1 499 . 6 1 1 A 41 41 ASP CB C 41 41.100 40.630 0.470 1
1 500 . 6 1 1 A 41 41 ASP N N 41 118.818 125.847 -7.029 1
1 501 . 6 1 1 A 42 42 ASP H H 42 7.949 8.292 -0.343 1
1 502 . 6 1 1 A 42 42 ASP HA H 42 4.516 4.674 -0.158 1
1 505 . 6 1 1 A 42 42 ASP C C 42 176.567 176.376 0.191 1
1 506 . 6 1 1 A 42 42 ASP CA C 42 54.910 53.719 1.191 1
1 507 . 6 1 1 A 42 42 ASP CB C 42 41.100 39.674 1.426 1
1 508 . 6 1 1 A 42 42 ASP N N 42 120.104 115.095 5.009 1
1 509 . 6 1 1 A 43 43 GLU H H 43 8.179 8.188 -0.009 1
1 510 . 6 1 1 A 43 43 GLU HA H 43 4.153 4.031 0.122 1
1 515 . 6 1 1 A 43 43 GLU C C 43 176.488 176.203 0.285 1
1 516 . 6 1 1 A 43 43 GLU CA C 43 57.070 59.246 -2.176 1
1 517 . 6 1 1 A 43 43 GLU CB C 43 30.430 30.241 0.189 1
1 519 . 6 1 1 A 43 43 GLU N N 43 121.153 122.014 -0.861 1
1 520 . 6 1 1 A 44 44 ASP H H 44 8.325 7.932 0.393 1
1 521 . 6 1 1 A 44 44 ASP HA H 44 4.517 4.782 -0.265 1
1 524 . 6 1 1 A 44 44 ASP C C 44 176.462 174.478 1.984 1
1 525 . 6 1 1 A 44 44 ASP CA C 44 54.360 53.897 0.463 1
1 526 . 6 1 1 A 44 44 ASP CB C 44 41.030 41.205 -0.175 1
1 527 . 6 1 1 A 44 44 ASP N N 44 121.100 118.912 2.188 1
1 528 . 6 1 1 A 45 45 ARG H H 45 8.106 8.722 -0.616 1
1 529 . 6 1 1 A 45 45 ARG HA H 45 4.252 4.498 -0.246 1
1 536 . 6 1 1 A 45 45 ARG C C 45 176.475 175.655 0.820 1
1 537 . 6 1 1 A 45 45 ARG CA C 45 56.000 54.906 1.094 1
1 538 . 6 1 1 A 45 45 ARG CB C 45 30.360 29.141 1.219 1
1 541 . 6 1 1 A 45 45 ARG N N 45 121.258 127.883 -6.625 1
1 542 . 6 1 1 A 46 46 ALA H H 46 8.235 7.742 0.493 1
1 543 . 6 1 1 A 46 46 ALA HA H 46 4.220 4.148 0.072 1
1 547 . 6 1 1 A 46 46 ALA C C 46 178.196 176.989 1.207 1
1 548 . 6 1 1 A 46 46 ALA CA C 46 53.070 54.327 -1.257 1
1 549 . 6 1 1 A 46 46 ALA CB C 46 18.840 18.247 0.593 1
1 550 . 6 1 1 A 46 46 ALA N N 46 124.506 122.667 1.839 1
1 551 . 6 1 1 A 47 47 SER H H 47 8.150 8.603 -0.453 1
1 552 . 6 1 1 A 47 47 SER HA H 47 4.331 4.459 -0.128 1
1 555 . 6 1 1 A 47 47 SER C C 47 174.727 174.027 0.700 1
1 556 . 6 1 1 A 47 47 SER CA C 47 58.820 58.365 0.455 1
1 557 . 6 1 1 A 47 47 SER CB C 47 63.520 63.961 -0.441 1
1 558 . 6 1 1 A 47 47 SER N N 47 114.398 115.453 -1.055 1
1 559 . 6 1 1 A 48 48 GLU H H 48 8.235 8.059 0.176 1
1 560 . 6 1 1 A 48 48 GLU HA H 48 4.244 4.261 -0.017 1
1 565 . 6 1 1 A 48 48 GLU C C 48 176.396 175.909 0.487 1
1 566 . 6 1 1 A 48 48 GLU CA C 48 56.550 58.510 -1.960 1
1 567 . 6 1 1 A 48 48 GLU CB C 48 30.330 28.428 1.902 1
1 569 . 6 1 1 A 48 48 GLU N N 48 122.340 116.983 5.357 1
1 570 . 6 1 1 A 49 49 ARG H H 49 8.174 8.910 -0.736 1
1 571 . 6 1 1 A 49 49 ARG HA H 49 4.339 3.920 0.419 1
1 578 . 6 1 1 A 49 49 ARG C C 49 176.344 175.695 0.649 1
1 579 . 6 1 1 A 49 49 ARG CA C 49 55.900 58.282 -2.382 1
1 580 . 6 1 1 A 49 49 ARG CB C 49 30.980 28.928 2.052 1
1 583 . 6 1 1 A 49 49 ARG N N 49 121.431 118.347 3.084 1
1 584 . 6 1 1 A 50 50 SER H H 50 8.389 8.421 -0.032 1
1 585 . 6 1 1 A 50 50 SER HA H 50 4.392 4.332 0.060 1
1 588 . 6 1 1 A 50 50 SER C C 50 174.517 173.846 0.671 1
1 589 . 6 1 1 A 50 50 SER CA C 50 58.230 60.321 -2.091 1
1 590 . 6 1 1 A 50 50 SER CB C 50 64.010 61.934 2.076 1
1 591 . 6 1 1 A 50 50 SER N N 50 117.321 113.443 3.878 1
1 592 . 6 1 1 A 51 51 ASN H H 51 8.488 8.822 -0.334 1
1 593 . 6 1 1 A 51 51 ASN HA H 51 4.657 4.657 0.000 1
1 598 . 6 1 1 A 51 51 ASN C C 51 175.122 174.984 0.138 1
1 599 . 6 1 1 A 51 51 ASN CA C 51 53.780 53.811 -0.031 1
1 600 . 6 1 1 A 51 51 ASN CB C 51 38.770 38.195 0.575 1
1 601 . 6 1 1 A 51 51 ASN N N 51 120.903 122.265 -1.362 1
1 603 . 6 1 1 A 52 52 ASP H H 52 8.231 9.053 -0.822 1
1 604 . 6 1 1 A 52 52 ASP HA H 52 4.517 4.334 0.183 1
1 607 . 6 1 1 A 52 52 ASP C C 52 176.291 175.247 1.044 1
1 608 . 6 1 1 A 52 52 ASP CA C 52 54.500 55.456 -0.956 1
1 609 . 6 1 1 A 52 52 ASP CB C 52 41.170 40.759 0.411 1
1 610 . 6 1 1 A 52 52 ASP N N 52 120.236 121.718 -1.482 1
1 611 . 6 1 1 A 53 53 GLU H H 53 8.139 8.311 -0.172 1
1 612 . 6 1 1 A 53 53 GLU HA H 53 4.194 4.644 -0.450 1
1 617 . 6 1 1 A 53 53 GLU C C 53 176.606 176.751 -0.145 1
1 618 . 6 1 1 A 53 53 GLU CA C 53 56.930 54.800 2.130 1
1 619 . 6 1 1 A 53 53 GLU CB C 53 30.500 27.570 2.930 1
1 621 . 6 1 1 A 53 53 GLU N N 53 120.655 119.575 1.080 1
1 622 . 6 1 1 A 54 54 VAL H H 54 8.061 7.889 0.172 1
1 623 . 6 1 1 A 54 54 VAL HA H 54 3.978 3.871 0.107 1
1 631 . 6 1 1 A 54 54 VAL C C 54 176.278 176.432 -0.154 1
1 632 . 6 1 1 A 54 54 VAL CA C 54 62.880 65.985 -3.105 1
1 633 . 6 1 1 A 54 54 VAL CB C 54 32.660 31.689 0.971 1
1 636 . 6 1 1 A 54 54 VAL N N 54 121.320 123.479 -2.159 1
1 637 . 6 1 1 A 55 55 LEU H H 55 8.209 7.293 0.916 1
1 638 . 6 1 1 A 55 55 LEU HA H 55 4.273 4.195 0.078 1
1 648 . 6 1 1 A 55 55 LEU C C 55 177.355 177.278 0.077 1
1 649 . 6 1 1 A 55 55 LEU CA C 55 55.290 55.719 -0.429 1
1 650 . 6 1 1 A 55 55 LEU CB C 55 42.190 43.014 -0.824 1
1 654 . 6 1 1 A 55 55 LEU N N 55 125.139 122.375 2.764 1
1 655 . 6 1 1 A 56 56 ASP H H 56 8.204 9.305 -1.101 1
1 656 . 6 1 1 A 56 56 ASP HA H 56 4.516 4.731 -0.215 1
1 659 . 6 1 1 A 56 56 ASP C C 56 176.633 177.546 -0.913 1
1 660 . 6 1 1 A 56 56 ASP CA C 56 54.360 55.191 -0.831 1
1 661 . 6 1 1 A 56 56 ASP CB C 56 41.070 40.710 0.360 1
1 662 . 6 1 1 A 56 56 ASP N N 56 121.154 128.175 -7.021 1
1 663 . 6 1 1 A 57 57 GLU H H 57 8.316 7.974 0.342 1
1 664 . 6 1 1 A 57 57 GLU HA H 57 4.164 4.300 -0.136 1
1 669 . 6 1 1 A 57 57 GLU C C 57 177.158 177.192 -0.034 1
1 670 . 6 1 1 A 57 57 GLU CA C 57 57.650 58.300 -0.650 1
1 671 . 6 1 1 A 57 57 GLU CB C 57 30.020 29.606 0.414 1
1 673 . 6 1 1 A 57 57 GLU N N 57 120.771 117.889 2.882 1
1 674 . 6 1 1 A 58 58 LEU H H 58 8.204 7.054 1.150 1
1 675 . 6 1 1 A 58 58 LEU HA H 58 4.231 4.306 -0.075 1
1 685 . 6 1 1 A 58 58 LEU C C 58 178.538 177.508 1.030 1
1 686 . 6 1 1 A 58 58 LEU CA C 58 55.690 54.863 0.827 1
1 687 . 6 1 1 A 58 58 LEU CB C 58 42.230 41.967 0.263 1
1 691 . 6 1 1 A 58 58 LEU N N 58 120.716 122.092 -1.376 1
1 692 . 6 1 1 A 59 59 GLY H H 59 8.212 8.566 -0.354 1
1 693 . 6 1 1 A 59 59 GLY HA2 H 59 3.917 4.091 -0.174 1
1 694 . 6 1 1 A 59 59 GLY HA3 H 59 3.917 4.093 -0.176 1
1 695 . 6 1 1 A 59 59 GLY C C 59 174.294 175.782 -1.488 1
1 696 . 6 1 1 A 59 59 GLY CA C 59 45.550 45.697 -0.147 1
1 697 . 6 1 1 A 59 59 GLY N N 59 108.670 110.541 -1.871 1
1 698 . 6 1 1 A 60 60 GLN H H 60 8.310 8.832 -0.522 1
1 699 . 6 1 1 A 60 60 GLN HA H 60 4.079 3.861 0.218 1
1 706 . 6 1 1 A 60 60 GLN C C 60 177.171 177.249 -0.078 1
1 707 . 6 1 1 A 60 60 GLN CA C 60 57.590 58.586 -0.996 1
1 708 . 6 1 1 A 60 60 GLN CB C 60 28.960 28.276 0.684 1
1 710 . 6 1 1 A 60 60 GLN N N 60 120.662 124.019 -3.357 1
1 712 . 6 1 1 A 61 61 VAL H H 61 8.136 8.109 0.027 1
1 713 . 6 1 1 A 61 61 VAL HA H 61 3.971 3.739 0.232 1
1 721 . 6 1 1 A 61 61 VAL C C 61 178.262 178.353 -0.091 1
1 722 . 6 1 1 A 61 61 VAL CA C 61 64.420 66.156 -1.736 1
1 723 . 6 1 1 A 61 61 VAL CB C 61 32.110 30.898 1.212 1
1 726 . 6 1 1 A 61 61 VAL N N 61 119.154 119.589 -0.435 1
1 727 . 6 1 1 A 62 62 GLY H H 62 8.183 8.516 -0.333 1
1 728 . 6 1 1 A 62 62 GLY HA2 H 62 3.966 3.706 0.260 1
1 729 . 6 1 1 A 62 62 GLY HA3 H 62 3.783 3.741 0.042 1
1 730 . 6 1 1 A 62 62 GLY C C 62 174.872 175.892 -1.020 1
1 731 . 6 1 1 A 62 62 GLY CA C 62 46.780 47.187 -0.407 1
1 732 . 6 1 1 A 62 62 GLY N N 62 110.813 108.387 2.426 1
1 733 . 6 1 1 A 63 63 GLN H H 63 8.235 7.914 0.321 1
1 734 . 6 1 1 A 63 63 GLN HA H 63 3.966 4.059 -0.093 1
1 741 . 6 1 1 A 63 63 GLN C C 63 178.170 178.168 0.002 1
1 742 . 6 1 1 A 63 63 GLN CA C 63 58.990 58.865 0.125 1
1 743 . 6 1 1 A 63 63 GLN CB C 63 28.500 28.500 0.000 1
1 745 . 6 1 1 A 63 63 GLN N N 63 120.667 121.909 -1.242 1
1 747 . 6 1 1 A 64 64 ASP H H 64 8.386 8.375 0.011 1
1 748 . 6 1 1 A 64 64 ASP HA H 64 4.347 4.435 -0.088 1
1 751 . 6 1 1 A 64 64 ASP C C 64 178.669 178.797 -0.128 1
1 752 . 6 1 1 A 64 64 ASP CA C 64 56.860 56.824 0.036 1
1 753 . 6 1 1 A 64 64 ASP CB C 64 39.970 40.236 -0.266 1
1 754 . 6 1 1 A 64 64 ASP N N 64 120.058 120.323 -0.265 1
1 755 . 6 1 1 A 65 65 GLU H H 65 7.992 7.687 0.305 1
1 756 . 6 1 1 A 65 65 GLU HA H 65 3.542 4.043 -0.501 1
1 761 . 6 1 1 A 65 65 GLU C C 65 177.842 178.946 -1.104 1
1 762 . 6 1 1 A 65 65 GLU CA C 65 59.560 58.682 0.878 1
1 763 . 6 1 1 A 65 65 GLU CB C 65 29.100 29.299 -0.199 1
1 765 . 6 1 1 A 65 65 GLU N N 65 123.846 119.557 4.289 1
1 766 . 6 1 1 A 66 66 LEU H H 66 8.100 8.279 -0.179 1
1 767 . 6 1 1 A 66 66 LEU HA H 66 3.783 3.891 -0.108 1
1 777 . 6 1 1 A 66 66 LEU C C 66 178.893 178.720 0.173 1
1 778 . 6 1 1 A 66 66 LEU CA C 66 58.610 57.998 0.612 1
1 779 . 6 1 1 A 66 66 LEU CB C 66 41.510 41.204 0.306 1
1 783 . 6 1 1 A 66 66 LEU N N 66 119.444 120.225 -0.781 1
1 784 . 6 1 1 A 67 67 ARG H H 67 7.870 8.179 -0.309 1
1 785 . 6 1 1 A 67 67 ARG HA H 67 4.095 3.893 0.202 1
1 792 . 6 1 1 A 67 67 ARG C C 67 179.484 178.178 1.306 1
1 793 . 6 1 1 A 67 67 ARG CA C 67 59.490 59.544 -0.054 1
1 794 . 6 1 1 A 67 67 ARG CB C 67 30.230 30.116 0.114 1
1 797 . 6 1 1 A 67 67 ARG N N 67 118.088 120.033 -1.945 1
1 798 . 6 1 1 A 68 68 ALA H H 68 7.820 7.677 0.143 1
1 799 . 6 1 1 A 68 68 ALA HA H 68 4.188 4.051 0.137 1
1 803 . 6 1 1 A 68 68 ALA C C 68 181.626 180.133 1.493 1
1 804 . 6 1 1 A 68 68 ALA CA C 68 54.840 55.011 -0.171 1
1 805 . 6 1 1 A 68 68 ALA CB C 68 18.400 18.219 0.181 1
1 806 . 6 1 1 A 68 68 ALA N N 68 123.318 121.274 2.044 1
1 807 . 6 1 1 A 69 69 ILE H H 69 8.643 7.803 0.840 1
1 808 . 6 1 1 A 69 69 ILE HA H 69 3.539 3.684 -0.145 1
1 818 . 6 1 1 A 69 69 ILE C C 69 177.290 177.741 -0.451 1
1 819 . 6 1 1 A 69 69 ILE CA C 69 66.370 65.297 1.073 1
1 820 . 6 1 1 A 69 69 ILE CB C 69 38.090 38.094 -0.004 1
1 824 . 6 1 1 A 69 69 ILE N N 69 122.954 119.041 3.913 1
1 825 . 6 1 1 A 70 70 ASP H H 70 8.415 8.271 0.144 1
1 826 . 6 1 1 A 70 70 ASP HA H 70 4.336 4.363 -0.027 1
1 829 . 6 1 1 A 70 70 ASP C C 70 179.786 178.898 0.888 1
1 830 . 6 1 1 A 70 70 ASP CA C 70 58.130 56.568 1.562 1
1 831 . 6 1 1 A 70 70 ASP CB C 70 40.310 40.261 0.049 1
1 832 . 6 1 1 A 70 70 ASP N N 70 121.571 119.477 2.094 1
1 833 . 6 1 1 A 71 71 ALA H H 71 7.869 7.994 -0.125 1
1 834 . 6 1 1 A 71 71 ALA HA H 71 4.215 4.128 0.087 1
1 838 . 6 1 1 A 71 71 ALA C C 71 180.246 179.863 0.383 1
1 839 . 6 1 1 A 71 71 ALA CA C 71 54.500 55.002 -0.502 1
1 840 . 6 1 1 A 71 71 ALA CB C 71 17.680 18.459 -0.779 1
1 841 . 6 1 1 A 71 71 ALA N N 71 121.459 122.826 -1.367 1
1 842 . 6 1 1 A 72 72 ALA H H 72 8.263 8.167 0.096 1
1 843 . 6 1 1 A 72 72 ALA HA H 72 4.045 4.302 -0.257 1
1 847 . 6 1 1 A 72 72 ALA C C 72 179.668 180.154 -0.486 1
1 848 . 6 1 1 A 72 72 ALA CA C 72 55.560 55.136 0.424 1
1 849 . 6 1 1 A 72 72 ALA CB C 72 19.870 18.221 1.649 1
1 850 . 6 1 1 A 72 72 ALA N N 72 123.378 120.621 2.757 1
1 851 . 6 1 1 A 73 73 LEU H H 73 8.790 8.240 0.550 1
1 852 . 6 1 1 A 73 73 LEU HA H 73 3.920 3.914 0.006 1
1 862 . 6 1 1 A 73 73 LEU C C 73 180.286 179.275 1.011 1
1 863 . 6 1 1 A 73 73 LEU CA C 73 58.130 57.892 0.238 1
1 864 . 6 1 1 A 73 73 LEU CB C 73 41.200 41.118 0.082 1
1 868 . 6 1 1 A 73 73 LEU N N 73 119.015 119.088 -0.073 1
1 869 . 6 1 1 A 74 74 ALA H H 74 7.931 8.121 -0.190 1
1 870 . 6 1 1 A 74 74 ALA HA H 74 4.273 4.030 0.243 1
1 874 . 6 1 1 A 74 74 ALA C C 74 180.811 179.147 1.664 1
1 875 . 6 1 1 A 74 74 ALA CA C 74 54.960 54.836 0.124 1
1 876 . 6 1 1 A 74 74 ALA CB C 74 17.690 18.142 -0.452 1
1 877 . 6 1 1 A 74 74 ALA N N 74 124.135 121.959 2.176 1
1 878 . 6 1 1 A 75 75 ARG H H 75 7.898 7.601 0.297 1
1 879 . 6 1 1 A 75 75 ARG HA H 75 4.138 4.118 0.020 1
1 886 . 6 1 1 A 75 75 ARG C C 75 179.721 178.832 0.889 1
1 887 . 6 1 1 A 75 75 ARG CA C 75 60.170 58.632 1.538 1
1 888 . 6 1 1 A 75 75 ARG CB C 75 29.970 29.797 0.173 1
1 891 . 6 1 1 A 75 75 ARG N N 75 120.143 117.040 3.103 1
1 892 . 6 1 1 A 76 76 ILE H H 76 8.061 7.816 0.245 1
1 893 . 6 1 1 A 76 76 ILE HA H 76 3.697 3.756 -0.059 1
1 903 . 6 1 1 A 76 76 ILE C C 76 179.392 177.992 1.400 1
1 904 . 6 1 1 A 76 76 ILE CA C 76 66.060 65.660 0.400 1
1 905 . 6 1 1 A 76 76 ILE CB C 76 37.240 37.697 -0.457 1
1 909 . 6 1 1 A 76 76 ILE N N 76 121.537 121.480 0.057 1
1 910 . 6 1 1 A 77 77 ALA H H 77 7.735 8.199 -0.464 1
1 911 . 6 1 1 A 77 77 ALA HA H 77 4.132 4.061 0.071 1
1 915 . 6 1 1 A 77 77 ALA C C 77 179.326 180.138 -0.812 1
1 916 . 6 1 1 A 77 77 ALA CA C 77 54.910 55.215 -0.305 1
1 917 . 6 1 1 A 77 77 ALA CB C 77 17.950 18.142 -0.192 1
1 918 . 6 1 1 A 77 77 ALA N N 77 122.664 122.497 0.167 1
1 919 . 6 1 1 A 78 78 SER H H 78 7.999 7.603 0.396 1
1 920 . 6 1 1 A 78 78 SER HA H 78 4.472 4.516 -0.044 1
1 923 . 6 1 1 A 78 78 SER C C 78 174.675 174.797 -0.122 1
1 924 . 6 1 1 A 78 78 SER CA C 78 59.260 58.661 0.599 1
1 925 . 6 1 1 A 78 78 SER CB C 78 64.070 63.734 0.336 1
1 926 . 6 1 1 A 78 78 SER N N 78 111.061 110.738 0.323 1
1 927 . 6 1 1 A 79 79 GLY H H 79 7.844 7.781 0.063 1
1 928 . 6 1 1 A 79 79 GLY HA2 H 79 4.233 3.975 0.258 1
1 929 . 6 1 1 A 79 79 GLY HA3 H 79 4.087 3.992 0.095 1
1 930 . 6 1 1 A 79 79 GLY C C 79 175.687 174.177 1.510 1
1 931 . 6 1 1 A 79 79 GLY CA C 79 46.470 45.847 0.623 1
1 932 . 6 1 1 A 79 79 GLY N N 79 109.909 108.729 1.180 1
1 933 . 6 1 1 A 80 80 THR H H 80 8.408 7.929 0.479 1
1 934 . 6 1 1 A 80 80 THR HA H 80 4.504 4.507 -0.003 1
1 939 . 6 1 1 A 80 80 THR C C 80 174.793 174.230 0.563 1
1 940 . 6 1 1 A 80 80 THR CA C 80 60.280 61.308 -1.028 1
1 941 . 6 1 1 A 80 80 THR CB C 80 69.000 69.043 -0.043 1
1 943 . 6 1 1 A 80 80 THR N N 80 109.416 115.354 -5.938 1
1 944 . 6 1 1 A 81 81 PHE H H 81 7.610 7.581 0.029 1
1 945 . 6 1 1 A 81 81 PHE HA H 81 3.944 4.285 -0.341 1
1 950 . 6 1 1 A 81 81 PHE C C 81 176.462 176.846 -0.384 1
1 951 . 6 1 1 A 81 81 PHE CA C 81 59.940 59.971 -0.031 1
1 952 . 6 1 1 A 81 81 PHE CB C 81 39.700 38.558 1.142 1
1 954 . 6 1 1 A 81 81 PHE N N 81 123.672 123.467 0.205 1
1 955 . 6 1 1 A 82 82 GLY H H 82 8.827 8.347 0.480 1
1 956 . 6 1 1 A 82 82 GLY HA2 H 82 4.000 3.579 0.421 1
1 957 . 6 1 1 A 82 82 GLY HA3 H 82 2.606 3.782 -1.176 1
1 958 . 6 1 1 A 82 82 GLY C C 82 172.388 173.707 -1.319 1
1 959 . 6 1 1 A 82 82 GLY CA C 82 44.590 45.358 -0.768 1
1 960 . 6 1 1 A 82 82 GLY N N 82 115.493 114.614 0.879 1
1 961 . 6 1 1 A 83 83 THR H H 83 7.265 7.144 0.121 1
1 962 . 6 1 1 A 83 83 THR HA H 83 4.418 4.540 -0.122 1
1 967 . 6 1 1 A 83 83 THR C C 83 173.808 172.918 0.890 1
1 968 . 6 1 1 A 83 83 THR CA C 83 61.180 61.196 -0.016 1
1 969 . 6 1 1 A 83 83 THR CB C 83 70.020 70.513 -0.493 1
1 971 . 6 1 1 A 83 83 THR N N 83 115.366 115.637 -0.271 1
1 972 . 6 1 1 A 84 84 CYS H H 84 9.410 8.642 0.768 1
1 973 . 6 1 1 A 84 84 CYS HA H 84 4.339 4.667 -0.328 1
1 976 . 6 1 1 A 84 84 CYS C C 84 177.986 175.399 2.587 1
1 977 . 6 1 1 A 84 84 CYS CA C 84 60.080 58.486 1.594 1
1 978 . 6 1 1 A 84 84 CYS CB C 84 30.630 27.388 3.242 1
1 979 . 6 1 1 A 84 84 CYS N N 84 131.144 125.955 5.189 1
1 980 . 6 1 1 A 85 85 VAL H H 85 8.461 7.990 0.471 1
1 981 . 6 1 1 A 85 85 VAL HA H 85 3.918 3.878 0.040 1
1 989 . 6 1 1 A 85 85 VAL C C 85 175.608 177.524 -1.916 1
1 990 . 6 1 1 A 85 85 VAL CA C 85 64.080 64.987 -0.907 1
1 991 . 6 1 1 A 85 85 VAL CB C 85 31.730 31.384 0.346 1
1 994 . 6 1 1 A 85 85 VAL N N 85 126.221 124.626 1.595 1
1 995 . 6 1 1 A 86 86 LYS H H 86 8.924 8.000 0.924 1
1 996 . 6 1 1 A 86 86 LYS HA H 86 4.496 4.165 0.331 1
1 1005 . 6 1 1 A 86 86 LYS C C 86 177.277 177.711 -0.434 1
1 1006 . 6 1 1 A 86 86 LYS CA C 86 58.500 58.716 -0.216 1
1 1007 . 6 1 1 A 86 86 LYS CB C 86 33.780 32.623 1.157 1
1 1011 . 6 1 1 A 86 86 LYS N N 86 123.551 121.649 1.902 1
1 1012 . 6 1 1 A 87 87 CYS H H 87 8.264 7.414 0.850 1
1 1013 . 6 1 1 A 87 87 CYS HA H 87 4.925 4.622 0.303 1
1 1016 . 6 1 1 A 87 87 CYS C C 87 177.211 175.499 1.712 1
1 1017 . 6 1 1 A 87 87 CYS CA C 87 58.980 58.482 0.498 1
1 1018 . 6 1 1 A 87 87 CYS CB C 87 33.100 29.361 3.739 1
1 1019 . 6 1 1 A 87 87 CYS N N 87 117.502 114.626 2.876 1
1 1020 . 6 1 1 A 88 88 GLY H H 88 7.655 8.025 -0.370 1
1 1021 . 6 1 1 A 88 88 GLY HA2 H 88 4.159 3.950 0.209 1
1 1022 . 6 1 1 A 88 88 GLY HA3 H 88 3.729 3.952 -0.223 1
1 1023 . 6 1 1 A 88 88 GLY C C 88 173.558 174.037 -0.479 1
1 1024 . 6 1 1 A 88 88 GLY CA C 88 46.300 46.297 0.003 1
1 1025 . 6 1 1 A 88 88 GLY N N 88 111.948 111.915 0.033 1
1 1026 . 6 1 1 A 89 89 LYS H H 89 8.721 7.637 1.084 1
1 1027 . 6 1 1 A 89 89 LYS HA H 89 4.315 4.767 -0.452 1
1 1036 . 6 1 1 A 89 89 LYS C C 89 176.659 175.006 1.653 1
1 1037 . 6 1 1 A 89 89 LYS CA C 89 56.860 54.398 2.462 1
1 1038 . 6 1 1 A 89 89 LYS CB C 89 33.540 35.094 -1.554 1
1 1042 . 6 1 1 A 89 89 LYS N N 89 123.614 119.053 4.561 1
1 1043 . 6 1 1 A 90 90 ARG H H 90 8.415 8.413 0.002 1
1 1044 . 6 1 1 A 90 90 ARG HA H 90 4.299 4.533 -0.234 1
1 1051 . 6 1 1 A 90 90 ARG C C 90 176.041 175.972 0.069 1
1 1052 . 6 1 1 A 90 90 ARG CA C 90 56.030 55.636 0.394 1
1 1053 . 6 1 1 A 90 90 ARG CB C 90 29.470 31.479 -2.009 1
1 1056 . 6 1 1 A 90 90 ARG N N 90 121.880 121.552 0.328 1
1 1057 . 6 1 1 A 91 91 ILE H H 91 8.334 8.380 -0.046 1
1 1058 . 6 1 1 A 91 91 ILE HA H 91 3.668 4.499 -0.831 1
1 1068 . 6 1 1 A 91 91 ILE C C 91 175.003 176.050 -1.047 1
1 1069 . 6 1 1 A 91 91 ILE CA C 91 61.810 60.203 1.607 1
1 1070 . 6 1 1 A 91 91 ILE CB C 91 38.920 39.334 -0.414 1
1 1074 . 6 1 1 A 91 91 ILE N N 91 128.410 125.676 2.734 1
1 1075 . 6 1 1 A 92 92 SER H H 92 8.551 8.702 -0.151 1
1 1076 . 6 1 1 A 92 92 SER HA H 92 4.180 4.445 -0.265 1
1 1079 . 6 1 1 A 92 92 SER C C 92 175.108 175.077 0.031 1
1 1080 . 6 1 1 A 92 92 SER CA C 92 58.460 58.228 0.232 1
1 1081 . 6 1 1 A 92 92 SER CB C 92 64.180 64.063 0.117 1
1 1082 . 6 1 1 A 92 92 SER N N 92 124.170 121.460 2.710 1
1 1083 . 6 1 1 A 93 93 GLU H H 93 8.912 8.962 -0.050 1
1 1084 . 6 1 1 A 93 93 GLU HA H 93 3.939 3.989 -0.050 1
1 1089 . 6 1 1 A 93 93 GLU C C 93 178.144 177.975 0.169 1
1 1090 . 6 1 1 A 93 93 GLU CA C 93 60.080 59.194 0.886 1
1 1091 . 6 1 1 A 93 93 GLU CB C 93 29.960 29.478 0.482 1
1 1093 . 6 1 1 A 93 93 GLU N N 93 123.996 124.591 -0.595 1
1 1094 . 6 1 1 A 94 94 ASP H H 94 8.311 8.361 -0.050 1
1 1095 . 6 1 1 A 94 94 ASP HA H 94 4.252 4.450 -0.198 1
1 1098 . 6 1 1 A 94 94 ASP C C 94 178.472 178.436 0.036 1
1 1099 . 6 1 1 A 94 94 ASP CA C 94 57.240 56.455 0.785 1
1 1100 . 6 1 1 A 94 94 ASP CB C 94 40.420 40.177 0.243 1
1 1101 . 6 1 1 A 94 94 ASP N N 94 116.432 120.047 -3.615 1
1 1102 . 6 1 1 A 95 95 ARG H H 95 7.365 7.961 -0.596 1
1 1103 . 6 1 1 A 95 95 ARG HA H 95 4.067 4.107 -0.040 1
1 1110 . 6 1 1 A 95 95 ARG C C 95 177.237 178.639 -1.402 1
1 1111 . 6 1 1 A 95 95 ARG CA C 95 58.870 58.677 0.193 1
1 1112 . 6 1 1 A 95 95 ARG CB C 95 29.100 29.988 -0.888 1
1 1115 . 6 1 1 A 95 95 ARG N N 95 121.517 121.088 0.429 1
1 1116 . 6 1 1 A 96 96 LEU H H 96 7.831 8.067 -0.236 1
1 1117 . 6 1 1 A 96 96 LEU HA H 96 3.735 3.848 -0.113 1
1 1127 . 6 1 1 A 96 96 LEU C C 96 177.855 179.420 -1.565 1
1 1128 . 6 1 1 A 96 96 LEU CA C 96 56.930 57.298 -0.368 1
1 1129 . 6 1 1 A 96 96 LEU CB C 96 41.300 40.935 0.365 1
1 1133 . 6 1 1 A 96 96 LEU N N 96 119.073 119.379 -0.306 1
1 1134 . 6 1 1 A 97 97 LYS H H 97 8.098 8.344 -0.246 1
1 1135 . 6 1 1 A 97 97 LYS HA H 97 4.014 4.289 -0.275 1
1 1144 . 6 1 1 A 97 97 LYS C C 97 178.433 178.692 -0.259 1
1 1145 . 6 1 1 A 97 97 LYS CA C 97 59.080 59.032 0.048 1
1 1146 . 6 1 1 A 97 97 LYS CB C 97 32.830 31.945 0.885 1
1 1150 . 6 1 1 A 97 97 LYS N N 97 114.647 118.575 -3.928 1
1 1151 . 6 1 1 A 98 98 ALA H H 98 7.011 7.291 -0.280 1
1 1152 . 6 1 1 A 98 98 ALA HA H 98 4.196 4.242 -0.046 1
1 1156 . 6 1 1 A 98 98 ALA C C 98 178.814 177.836 0.978 1
1 1157 . 6 1 1 A 98 98 ALA CA C 98 54.480 54.049 0.431 1
1 1158 . 6 1 1 A 98 98 ALA CB C 98 19.380 19.443 -0.063 1
1 1159 . 6 1 1 A 98 98 ALA N N 98 119.536 120.726 -1.190 1
1 1160 . 6 1 1 A 99 99 VAL H H 99 8.133 7.634 0.499 1
1 1161 . 6 1 1 A 99 99 VAL HA H 99 4.098 4.231 -0.133 1
1 1169 . 6 1 1 A 99 99 VAL CA C 99 58.260 59.357 -1.097 1
1 1170 . 6 1 1 A 99 99 VAL CB C 99 32.530 32.308 0.222 1
1 1173 . 6 1 1 A 99 99 VAL N N 99 114.735 115.181 -0.446 1
1 1174 . 6 1 1 A 100 100 PRO HA H 100 4.761 4.408 0.353 1
1 1181 . 6 1 1 A 100 100 PRO C C 100 175.437 177.100 -1.663 1
1 1182 . 6 1 1 A 100 100 PRO CA C 100 65.370 64.096 1.274 1
1 1183 . 6 1 1 A 100 100 PRO CB C 100 31.190 31.773 -0.583 1
1 1186 . 6 1 1 A 101 101 TYR H H 101 6.053 7.360 -1.307 1
1 1187 . 6 1 1 A 101 101 TYR HA H 101 4.463 4.637 -0.174 1
1 1194 . 6 1 1 A 101 101 TYR C C 101 175.871 175.977 -0.106 1
1 1195 . 6 1 1 A 101 101 TYR CA C 101 53.920 55.891 -1.971 1
1 1196 . 6 1 1 A 101 101 TYR CB C 101 38.230 38.290 -0.060 1
1 1199 . 6 1 1 A 101 101 TYR N N 101 108.211 113.976 -5.765 1
1 1200 . 6 1 1 A 102 102 THR H H 102 7.466 7.448 0.018 1
1 1201 . 6 1 1 A 102 102 THR HA H 102 4.384 4.472 -0.088 1
1 1206 . 6 1 1 A 102 102 THR CA C 102 60.030 58.842 1.188 1
1 1207 . 6 1 1 A 102 102 THR CB C 102 69.600 69.476 0.124 1
1 1209 . 6 1 1 A 102 102 THR N N 102 120.556 115.451 5.105 1
1 1210 . 6 1 1 A 103 103 PRO HA H 103 4.244 4.334 -0.090 1
1 1217 . 6 1 1 A 103 103 PRO C C 103 176.344 175.560 0.784 1
1 1218 . 6 1 1 A 103 103 PRO CA C 103 62.400 63.485 -1.085 1
1 1219 . 6 1 1 A 103 103 PRO CB C 103 32.250 31.912 0.338 1
1 1222 . 6 1 1 A 104 104 PHE H H 104 7.365 6.960 0.405 1
1 1223 . 6 1 1 A 104 104 PHE HA H 104 6.207 5.028 1.179 1
1 1230 . 6 1 1 A 104 104 PHE C C 104 176.133 175.784 0.349 1
1 1231 . 6 1 1 A 104 104 PHE CA C 104 55.220 56.334 -1.114 1
1 1232 . 6 1 1 A 104 104 PHE CB C 104 44.480 41.580 2.900 1
1 1235 . 6 1 1 A 104 104 PHE N N 104 115.933 118.478 -2.545 1
1 1236 . 6 1 1 A 105 105 CYS H H 105 9.248 8.587 0.661 1
1 1237 . 6 1 1 A 105 105 CYS HA H 105 4.638 4.721 -0.083 1
1 1240 . 6 1 1 A 105 105 CYS C C 105 174.254 175.630 -1.376 1
1 1241 . 6 1 1 A 105 105 CYS CA C 105 58.060 57.584 0.476 1
1 1242 . 6 1 1 A 105 105 CYS CB C 105 31.250 29.838 1.412 1
1 1243 . 6 1 1 A 105 105 CYS N N 105 118.999 120.693 -1.694 1
1 1244 . 6 1 1 A 106 106 GLN H H 106 8.865 8.898 -0.033 1
1 1245 . 6 1 1 A 106 106 GLN HA H 106 3.611 3.948 -0.337 1
1 1252 . 6 1 1 A 106 106 GLN C C 106 177.250 177.840 -0.590 1
1 1253 . 6 1 1 A 106 106 GLN CA C 106 59.430 59.356 0.074 1
1 1254 . 6 1 1 A 106 106 GLN CB C 106 28.750 28.137 0.613 1
1 1256 . 6 1 1 A 106 106 GLN N N 106 119.606 121.967 -2.361 1
1 1258 . 6 1 1 A 107 107 GLU H H 107 8.134 8.435 -0.301 1
1 1259 . 6 1 1 A 107 107 GLU HA H 107 3.959 4.084 -0.125 1
1 1264 . 6 1 1 A 107 107 GLU C C 107 179.616 178.624 0.992 1
1 1265 . 6 1 1 A 107 107 GLU CA C 107 60.110 59.639 0.471 1
1 1266 . 6 1 1 A 107 107 GLU CB C 107 29.990 29.006 0.984 1
1 1268 . 6 1 1 A 107 107 GLU N N 107 119.554 117.448 2.106 1
1 1269 . 6 1 1 A 108 108 CYS H H 108 8.681 8.218 0.463 1
1 1270 . 6 1 1 A 108 108 CYS HA H 108 3.783 4.050 -0.267 1
1 1273 . 6 1 1 A 108 108 CYS C C 108 177.868 176.758 1.110 1
1 1274 . 6 1 1 A 108 108 CYS CA C 108 64.110 63.297 0.813 1
1 1275 . 6 1 1 A 108 108 CYS CB C 108 29.270 27.321 1.949 1
1 1276 . 6 1 1 A 108 108 CYS N N 108 123.406 118.527 4.879 1
1 1277 . 6 1 1 A 109 109 ALA H H 109 8.094 8.354 -0.260 1
1 1278 . 6 1 1 A 109 109 ALA HA H 109 3.693 4.042 -0.349 1
1 1282 . 6 1 1 A 109 109 ALA C C 109 178.591 179.873 -1.282 1
1 1283 . 6 1 1 A 109 109 ALA CA C 109 53.710 55.007 -1.297 1
1 1284 . 6 1 1 A 109 109 ALA CB C 109 18.430 18.304 0.126 1
1 1285 . 6 1 1 A 109 109 ALA N N 109 120.579 122.320 -1.741 1
1 1286 . 6 1 1 A 110 110 ALA H H 110 7.402 8.084 -0.682 1
1 1287 . 6 1 1 A 110 110 ALA HA H 110 4.111 4.161 -0.050 1
1 1291 . 6 1 1 A 110 110 ALA C C 110 177.408 179.976 -2.568 1
1 1292 . 6 1 1 A 110 110 ALA CA C 110 53.000 54.897 -1.897 1
1 1293 . 6 1 1 A 110 110 ALA CB C 110 18.710 18.295 0.415 1
1 1294 . 6 1 1 A 110 110 ALA N N 110 118.992 120.191 -1.199 1
1 1295 . 6 1 1 A 111 111 ALA H H 111 7.247 7.594 -0.347 1
1 1296 . 6 1 1 A 111 111 ALA HA H 111 4.300 4.197 0.103 1
1 1300 . 6 1 1 A 111 111 ALA C C 111 176.488 178.195 -1.707 1
1 1301 . 6 1 1 A 111 111 ALA CA C 111 51.840 52.950 -1.110 1
1 1302 . 6 1 1 A 111 111 ALA CB C 111 19.210 19.250 -0.040 1
1 1303 . 6 1 1 A 111 111 ALA N N 111 120.857 119.662 1.195 1
1 19 . 7 1 1 A 2 2 ALA H H 2 8.460 9.192 -0.732 1
1 20 . 7 1 1 A 2 2 ALA HA H 2 4.304 4.001 0.303 1
1 24 . 7 1 1 A 2 2 ALA C C 2 178.183 177.137 1.046 1
1 25 . 7 1 1 A 2 2 ALA CA C 2 52.760 53.903 -1.143 1
1 26 . 7 1 1 A 2 2 ALA CB C 2 19.150 18.413 0.737 1
1 27 . 7 1 1 A 2 2 ALA N N 2 125.375 121.171 4.204 1
1 28 . 7 1 1 A 3 3 GLY H H 3 8.343 8.637 -0.294 1
1 29 . 7 1 1 A 3 3 GLY N N 3 108.577 107.687 0.890 1
1 30 . 7 1 1 A 5 5 LYS HA H 5 4.355 4.561 -0.206 1
1 39 . 7 1 1 A 5 5 LYS CA C 5 56.170 55.100 1.070 1
1 40 . 7 1 1 A 5 5 LYS CB C 5 33.170 30.941 2.229 1
1 44 . 7 1 1 A 6 6 SER HA H 6 4.429 4.690 -0.261 1
1 47 . 7 1 1 A 6 6 SER CA C 6 58.390 56.884 1.506 1
1 48 . 7 1 1 A 6 6 SER CB C 6 64.040 65.548 -1.508 1
1 49 . 7 1 1 A 7 7 MET HA H 7 4.435 4.226 0.209 1
1 57 . 7 1 1 A 7 7 MET CA C 7 55.610 56.609 -0.999 1
1 58 . 7 1 1 A 7 7 MET CB C 7 33.550 31.973 1.577 1
1 61 . 7 1 1 A 8 8 ASN HA H 8 4.837 4.304 0.533 1
1 66 . 7 1 1 A 8 8 ASN C C 8 175.910 174.725 1.185 1
1 67 . 7 1 1 A 8 8 ASN CA C 8 52.310 54.367 -2.057 1
1 68 . 7 1 1 A 8 8 ASN CB C 8 38.190 36.235 1.955 1
1 70 . 7 1 1 A 9 9 VAL H H 9 8.400 7.759 0.641 1
1 71 . 7 1 1 A 9 9 VAL HA H 9 3.908 3.636 0.272 1
1 79 . 7 1 1 A 9 9 VAL C C 9 176.738 177.163 -0.425 1
1 80 . 7 1 1 A 9 9 VAL CA C 9 65.550 66.884 -1.334 1
1 81 . 7 1 1 A 9 9 VAL CB C 9 31.970 31.412 0.558 1
1 84 . 7 1 1 A 9 9 VAL N N 9 121.216 117.084 4.132 1
1 85 . 7 1 1 A 10 10 GLU H H 10 8.596 7.954 0.642 1
1 86 . 7 1 1 A 10 10 GLU HA H 10 4.077 3.935 0.142 1
1 91 . 7 1 1 A 10 10 GLU C C 10 178.985 179.153 -0.168 1
1 92 . 7 1 1 A 10 10 GLU CA C 10 59.390 59.472 -0.082 1
1 93 . 7 1 1 A 10 10 GLU CB C 10 29.000 29.019 -0.019 1
1 95 . 7 1 1 A 10 10 GLU N N 10 121.274 120.042 1.232 1
1 96 . 7 1 1 A 11 11 SER H H 11 7.841 8.085 -0.244 1
1 97 . 7 1 1 A 11 11 SER HA H 11 4.138 4.127 0.011 1
1 100 . 7 1 1 A 11 11 SER C C 11 176.817 176.241 0.576 1
1 101 . 7 1 1 A 11 11 SER CA C 11 60.790 62.158 -1.368 1
1 102 . 7 1 1 A 11 11 SER CB C 11 62.470 63.152 -0.682 1
1 103 . 7 1 1 A 11 11 SER N N 11 115.238 116.750 -1.512 1
1 104 . 7 1 1 A 12 12 TYR H H 12 7.284 7.445 -0.161 1
1 105 . 7 1 1 A 12 12 TYR HA H 12 4.104 4.306 -0.202 1
1 112 . 7 1 1 A 12 12 TYR C C 12 177.132 178.068 -0.936 1
1 113 . 7 1 1 A 12 12 TYR CA C 12 62.060 61.475 0.585 1
1 114 . 7 1 1 A 12 12 TYR CB C 12 38.710 38.083 0.627 1
1 117 . 7 1 1 A 12 12 TYR N N 12 120.370 120.082 0.288 1
1 118 . 7 1 1 A 13 13 GLU H H 13 8.490 8.396 0.094 1
1 119 . 7 1 1 A 13 13 GLU HA H 13 3.432 3.861 -0.429 1
1 124 . 7 1 1 A 13 13 GLU C C 13 177.303 178.570 -1.267 1
1 125 . 7 1 1 A 13 13 GLU CA C 13 60.660 59.635 1.025 1
1 126 . 7 1 1 A 13 13 GLU CB C 13 29.200 28.737 0.463 1
1 128 . 7 1 1 A 13 13 GLU N N 13 120.162 120.859 -0.697 1
1 129 . 7 1 1 A 14 14 LYS H H 14 7.454 7.767 -0.313 1
1 130 . 7 1 1 A 14 14 LYS HA H 14 3.900 4.062 -0.162 1
1 139 . 7 1 1 A 14 14 LYS C C 14 178.249 178.683 -0.434 1
1 140 . 7 1 1 A 14 14 LYS CA C 14 59.620 59.021 0.599 1
1 141 . 7 1 1 A 14 14 LYS CB C 14 32.420 32.162 0.258 1
1 145 . 7 1 1 A 14 14 LYS N N 14 117.838 118.197 -0.359 1
1 146 . 7 1 1 A 15 15 ILE H H 15 7.409 7.635 -0.226 1
1 147 . 7 1 1 A 15 15 ILE HA H 15 3.822 4.047 -0.225 1
1 157 . 7 1 1 A 15 15 ILE C C 15 179.668 177.852 1.816 1
1 158 . 7 1 1 A 15 15 ILE CA C 15 65.030 63.101 1.929 1
1 159 . 7 1 1 A 15 15 ILE CB C 15 38.950 37.704 1.246 1
1 163 . 7 1 1 A 15 15 ILE N N 15 118.597 120.584 -1.987 1
1 164 . 7 1 1 A 16 16 LEU H H 16 8.407 8.353 0.054 1
1 165 . 7 1 1 A 16 16 LEU HA H 16 3.992 3.957 0.035 1
1 175 . 7 1 1 A 16 16 LEU C C 16 178.512 179.152 -0.640 1
1 176 . 7 1 1 A 16 16 LEU CA C 16 58.230 58.090 0.140 1
1 177 . 7 1 1 A 16 16 LEU CB C 16 42.130 41.267 0.863 1
1 181 . 7 1 1 A 16 16 LEU N N 16 120.642 121.425 -0.783 1
1 182 . 7 1 1 A 17 17 ARG H H 17 8.789 8.048 0.741 1
1 183 . 7 1 1 A 17 17 ARG HA H 17 3.917 4.145 -0.228 1
1 190 . 7 1 1 A 17 17 ARG C C 17 179.602 178.989 0.613 1
1 191 . 7 1 1 A 17 17 ARG CA C 17 60.080 59.634 0.446 1
1 192 . 7 1 1 A 17 17 ARG CB C 17 29.620 30.255 -0.635 1
1 195 . 7 1 1 A 17 17 ARG N N 17 119.196 119.008 0.188 1
1 196 . 7 1 1 A 18 18 ASP H H 18 8.638 8.244 0.394 1
1 197 . 7 1 1 A 18 18 ASP HA H 18 4.418 4.331 0.087 1
1 200 . 7 1 1 A 18 18 ASP C C 18 179.116 178.996 0.120 1
1 201 . 7 1 1 A 18 18 ASP CA C 18 57.330 57.298 0.032 1
1 202 . 7 1 1 A 18 18 ASP CB C 18 39.700 40.033 -0.333 1
1 203 . 7 1 1 A 18 18 ASP N N 18 121.383 119.903 1.480 1
1 204 . 7 1 1 A 19 19 ARG H H 19 7.947 8.027 -0.080 1
1 205 . 7 1 1 A 19 19 ARG HA H 19 4.180 4.021 0.159 1
1 212 . 7 1 1 A 19 19 ARG C C 19 177.855 179.153 -1.298 1
1 213 . 7 1 1 A 19 19 ARG CA C 19 57.680 59.707 -2.027 1
1 214 . 7 1 1 A 19 19 ARG CB C 19 29.540 29.975 -0.435 1
1 217 . 7 1 1 A 19 19 ARG N N 19 121.506 119.634 1.872 1
1 218 . 7 1 1 A 20 20 GLN H H 20 8.691 8.210 0.481 1
1 219 . 7 1 1 A 20 20 GLN HA H 20 3.589 3.965 -0.376 1
1 226 . 7 1 1 A 20 20 GLN C C 20 176.896 178.196 -1.300 1
1 227 . 7 1 1 A 20 20 GLN CA C 20 59.620 58.655 0.965 1
1 228 . 7 1 1 A 20 20 GLN CB C 20 30.020 27.886 2.134 1
1 230 . 7 1 1 A 20 20 GLN N N 20 120.162 118.056 2.106 1
1 232 . 7 1 1 A 21 21 ARG H H 21 7.959 8.010 -0.051 1
1 233 . 7 1 1 A 21 21 ARG HA H 21 3.973 4.284 -0.311 1
1 240 . 7 1 1 A 21 21 ARG C C 21 178.985 178.901 0.084 1
1 241 . 7 1 1 A 21 21 ARG CA C 21 59.800 59.718 0.082 1
1 242 . 7 1 1 A 21 21 ARG CB C 21 29.980 30.265 -0.285 1
1 245 . 7 1 1 A 21 21 ARG N N 21 117.219 119.604 -2.385 1
1 246 . 7 1 1 A 22 22 GLU H H 22 7.700 8.221 -0.521 1
1 247 . 7 1 1 A 22 22 GLU HA H 22 4.076 4.120 -0.044 1
1 252 . 7 1 1 A 22 22 GLU C C 22 179.090 178.690 0.400 1
1 253 . 7 1 1 A 22 22 GLU CA C 22 58.950 58.971 -0.021 1
1 254 . 7 1 1 A 22 22 GLU CB C 22 29.580 28.470 1.110 1
1 256 . 7 1 1 A 22 22 GLU N N 22 119.703 118.356 1.347 1
1 257 . 7 1 1 A 23 23 LEU H H 23 8.264 7.831 0.433 1
1 258 . 7 1 1 A 23 23 LEU HA H 23 3.979 4.032 -0.053 1
1 268 . 7 1 1 A 23 23 LEU C C 23 179.234 178.762 0.472 1
1 269 . 7 1 1 A 23 23 LEU CA C 23 57.990 57.875 0.115 1
1 270 . 7 1 1 A 23 23 LEU CB C 23 42.370 42.077 0.293 1
1 274 . 7 1 1 A 23 23 LEU N N 23 119.988 121.859 -1.871 1
1 275 . 7 1 1 A 24 24 TYR H H 24 8.688 8.283 0.405 1
1 276 . 7 1 1 A 24 24 TYR HA H 24 4.084 4.381 -0.297 1
1 283 . 7 1 1 A 24 24 TYR C C 24 178.630 178.920 -0.290 1
1 284 . 7 1 1 A 24 24 TYR CA C 24 61.670 60.554 1.116 1
1 285 . 7 1 1 A 24 24 TYR CB C 24 37.780 37.995 -0.215 1
1 288 . 7 1 1 A 24 24 TYR N N 24 119.101 118.273 0.828 1
1 289 . 7 1 1 A 25 25 ARG H H 25 7.945 8.044 -0.099 1
1 290 . 7 1 1 A 25 25 ARG HA H 25 4.043 4.208 -0.165 1
1 297 . 7 1 1 A 25 25 ARG C C 25 178.683 178.713 -0.030 1
1 298 . 7 1 1 A 25 25 ARG CA C 25 59.460 58.901 0.559 1
1 299 . 7 1 1 A 25 25 ARG CB C 25 30.160 30.000 0.160 1
1 302 . 7 1 1 A 25 25 ARG N N 25 118.297 118.564 -0.267 1
1 303 . 7 1 1 A 26 26 ARG H H 26 7.726 7.517 0.209 1
1 304 . 7 1 1 A 26 26 ARG HA H 26 4.067 4.173 -0.106 1
1 311 . 7 1 1 A 26 26 ARG C C 26 177.986 178.086 -0.100 1
1 312 . 7 1 1 A 26 26 ARG CA C 26 58.300 58.647 -0.347 1
1 313 . 7 1 1 A 26 26 ARG CB C 26 30.670 30.142 0.528 1
1 316 . 7 1 1 A 26 26 ARG N N 26 118.100 119.735 -1.635 1
1 317 . 7 1 1 A 27 27 LEU H H 27 7.971 7.894 0.077 1
1 318 . 7 1 1 A 27 27 LEU HA H 27 4.095 4.238 -0.143 1
1 328 . 7 1 1 A 27 27 LEU C C 27 177.461 177.481 -0.020 1
1 329 . 7 1 1 A 27 27 LEU CA C 27 56.260 56.501 -0.241 1
1 330 . 7 1 1 A 27 27 LEU CB C 27 42.260 42.551 -0.291 1
1 334 . 7 1 1 A 27 27 LEU N N 27 118.633 115.239 3.394 1
1 335 . 7 1 1 A 28 28 HIS H H 28 7.863 7.900 -0.037 1
1 336 . 7 1 1 A 28 28 HIS HA H 28 4.482 4.840 -0.358 1
1 341 . 7 1 1 A 28 28 HIS C C 28 174.741 175.900 -1.159 1
1 342 . 7 1 1 A 28 28 HIS CA C 28 56.310 54.768 1.542 1
1 343 . 7 1 1 A 28 28 HIS CB C 28 29.300 28.388 0.912 1
1 346 . 7 1 1 A 28 28 HIS N N 28 116.767 117.026 -0.259 1
1 347 . 7 1 1 A 29 29 LYS H H 29 7.893 8.144 -0.251 1
1 348 . 7 1 1 A 29 29 LYS HA H 29 4.172 4.082 0.090 1
1 357 . 7 1 1 A 29 29 LYS C C 29 176.357 177.910 -1.553 1
1 358 . 7 1 1 A 29 29 LYS CA C 29 56.830 58.757 -1.927 1
1 359 . 7 1 1 A 29 29 LYS CB C 29 32.000 31.742 0.258 1
1 363 . 7 1 1 A 29 29 LYS N N 29 120.331 118.228 2.103 1
1 364 . 7 1 1 A 30 30 ILE H H 30 7.995 7.724 0.271 1
1 365 . 7 1 1 A 30 30 ILE HA H 30 4.085 3.949 0.136 1
1 375 . 7 1 1 A 30 30 ILE C C 30 176.344 177.256 -0.912 1
1 376 . 7 1 1 A 30 30 ILE CA C 30 61.440 64.239 -2.799 1
1 377 . 7 1 1 A 30 30 ILE CB C 30 39.020 37.377 1.643 1
1 381 . 7 1 1 A 30 30 ILE N N 30 120.440 117.464 2.976 1
1 382 . 7 1 1 A 31 31 GLU H H 31 8.367 8.094 0.273 1
1 383 . 7 1 1 A 31 31 GLU HA H 31 4.159 4.535 -0.376 1
1 388 . 7 1 1 A 31 31 GLU C C 31 176.265 176.241 0.024 1
1 389 . 7 1 1 A 31 31 GLU CA C 31 56.890 56.591 0.299 1
1 390 . 7 1 1 A 31 31 GLU CB C 31 30.050 30.733 -0.683 1
1 392 . 7 1 1 A 31 31 GLU N N 31 124.043 119.555 4.488 1
1 393 . 7 1 1 A 32 32 ALA H H 32 8.138 7.525 0.613 1
1 394 . 7 1 1 A 32 32 ALA HA H 32 4.175 4.392 -0.217 1
1 398 . 7 1 1 A 32 32 ALA C C 32 177.198 175.449 1.749 1
1 399 . 7 1 1 A 32 32 ALA CA C 32 52.620 51.294 1.326 1
1 400 . 7 1 1 A 32 32 ALA CB C 32 19.490 18.389 1.101 1
1 401 . 7 1 1 A 32 32 ALA N N 32 124.170 122.857 1.313 1
1 402 . 7 1 1 A 33 33 ASP H H 33 8.157 8.842 -0.685 1
1 403 . 7 1 1 A 33 33 ASP HA H 33 4.467 5.046 -0.579 1
1 406 . 7 1 1 A 33 33 ASP C C 33 175.910 176.500 -0.590 1
1 407 . 7 1 1 A 33 33 ASP CA C 33 54.500 52.499 2.001 1
1 408 . 7 1 1 A 33 33 ASP CB C 33 40.750 40.446 0.304 1
1 409 . 7 1 1 A 33 33 ASP N N 33 118.904 123.849 -4.945 1
1 410 . 7 1 1 A 34 34 PHE H H 34 7.884 8.623 -0.739 1
1 411 . 7 1 1 A 34 34 PHE HA H 34 4.514 4.238 0.276 1
1 418 . 7 1 1 A 34 34 PHE C C 34 175.319 176.001 -0.682 1
1 419 . 7 1 1 A 34 34 PHE CA C 34 57.610 58.901 -1.291 1
1 420 . 7 1 1 A 34 34 PHE CB C 34 39.840 38.398 1.442 1
1 423 . 7 1 1 A 34 34 PHE N N 34 119.439 122.191 -2.752 1
1 424 . 7 1 1 A 35 35 GLU H H 35 8.084 8.004 0.080 1
1 425 . 7 1 1 A 35 35 GLU HA H 35 4.190 4.047 0.143 1
1 430 . 7 1 1 A 35 35 GLU C C 35 175.634 175.854 -0.220 1
1 431 . 7 1 1 A 35 35 GLU CA C 35 56.140 59.441 -3.301 1
1 432 . 7 1 1 A 35 35 GLU CB C 35 30.810 30.239 0.571 1
1 434 . 7 1 1 A 35 35 GLU N N 35 122.340 120.330 2.010 1
1 435 . 7 1 1 A 36 36 GLU H H 36 8.172 7.788 0.384 1
1 436 . 7 1 1 A 36 36 GLU HA H 36 4.442 4.570 -0.128 1
1 441 . 7 1 1 A 36 36 GLU CA C 36 54.300 54.207 0.093 1
1 442 . 7 1 1 A 36 36 GLU CB C 36 29.490 32.288 -2.798 1
1 444 . 7 1 1 A 36 36 GLU N N 36 123.278 114.918 8.360 1
1 445 . 7 1 1 A 37 37 PRO HA H 37 4.339 4.590 -0.251 1
1 452 . 7 1 1 A 37 37 PRO C C 37 175.818 176.907 -1.089 1
1 453 . 7 1 1 A 37 37 PRO CA C 37 62.800 62.169 0.631 1
1 454 . 7 1 1 A 37 37 PRO CB C 37 31.900 32.611 -0.711 1
1 457 . 7 1 1 A 38 38 ARG H H 38 8.412 8.430 -0.018 1
1 458 . 7 1 1 A 38 38 ARG HA H 38 4.255 4.174 0.081 1
1 465 . 7 1 1 A 38 38 ARG C C 38 175.818 175.995 -0.177 1
1 466 . 7 1 1 A 38 38 ARG CA C 38 55.350 56.333 -0.983 1
1 467 . 7 1 1 A 38 38 ARG CB C 38 31.010 30.523 0.487 1
1 470 . 7 1 1 A 38 38 ARG N N 38 121.791 119.805 1.986 1
1 471 . 7 1 1 A 39 39 ASN H H 39 8.624 8.683 -0.059 1
1 472 . 7 1 1 A 39 39 ASN HA H 39 4.906 5.322 -0.416 1
1 477 . 7 1 1 A 39 39 ASN CA C 39 51.100 50.726 0.374 1
1 478 . 7 1 1 A 39 39 ASN CB C 39 38.560 38.648 -0.088 1
1 479 . 7 1 1 A 39 39 ASN N N 39 121.594 120.505 1.089 1
1 481 . 7 1 1 A 40 40 PRO HA H 40 4.310 4.470 -0.160 1
1 488 . 7 1 1 A 40 40 PRO C C 40 176.896 175.696 1.200 1
1 489 . 7 1 1 A 40 40 PRO CA C 40 63.970 64.260 -0.290 1
1 490 . 7 1 1 A 40 40 PRO CB C 40 32.210 32.037 0.173 1
1 493 . 7 1 1 A 41 41 ASP H H 41 8.219 7.727 0.492 1
1 494 . 7 1 1 A 41 41 ASP HA H 41 4.516 4.700 -0.184 1
1 497 . 7 1 1 A 41 41 ASP C C 41 176.252 175.443 0.809 1
1 498 . 7 1 1 A 41 41 ASP CA C 41 54.740 52.618 2.122 1
1 499 . 7 1 1 A 41 41 ASP CB C 41 41.100 42.100 -1.000 1
1 500 . 7 1 1 A 41 41 ASP N N 41 118.818 115.531 3.287 1
1 501 . 7 1 1 A 42 42 ASP H H 42 7.949 8.567 -0.618 1
1 502 . 7 1 1 A 42 42 ASP HA H 42 4.516 4.565 -0.049 1
1 505 . 7 1 1 A 42 42 ASP C C 42 176.567 175.320 1.247 1
1 506 . 7 1 1 A 42 42 ASP CA C 42 54.910 53.585 1.325 1
1 507 . 7 1 1 A 42 42 ASP CB C 42 41.100 40.237 0.863 1
1 508 . 7 1 1 A 42 42 ASP N N 42 120.104 121.775 -1.671 1
1 509 . 7 1 1 A 43 43 GLU H H 43 8.179 8.465 -0.286 1
1 510 . 7 1 1 A 43 43 GLU HA H 43 4.153 4.499 -0.346 1
1 515 . 7 1 1 A 43 43 GLU C C 43 176.488 176.253 0.235 1
1 516 . 7 1 1 A 43 43 GLU CA C 43 57.070 56.898 0.172 1
1 517 . 7 1 1 A 43 43 GLU CB C 43 30.430 31.555 -1.125 1
1 519 . 7 1 1 A 43 43 GLU N N 43 121.153 126.181 -5.028 1
1 520 . 7 1 1 A 44 44 ASP H H 44 8.325 8.199 0.126 1
1 521 . 7 1 1 A 44 44 ASP HA H 44 4.517 4.297 0.220 1
1 524 . 7 1 1 A 44 44 ASP C C 44 176.462 176.024 0.438 1
1 525 . 7 1 1 A 44 44 ASP CA C 44 54.360 54.819 -0.459 1
1 526 . 7 1 1 A 44 44 ASP CB C 44 41.030 39.270 1.760 1
1 527 . 7 1 1 A 44 44 ASP N N 44 121.100 119.536 1.564 1
1 528 . 7 1 1 A 45 45 ARG H H 45 8.106 8.251 -0.145 1
1 529 . 7 1 1 A 45 45 ARG HA H 45 4.252 4.382 -0.130 1
1 536 . 7 1 1 A 45 45 ARG C C 45 176.475 176.417 0.058 1
1 537 . 7 1 1 A 45 45 ARG CA C 45 56.000 57.635 -1.635 1
1 538 . 7 1 1 A 45 45 ARG CB C 45 30.360 31.008 -0.648 1
1 541 . 7 1 1 A 45 45 ARG N N 45 121.258 124.747 -3.489 1
1 542 . 7 1 1 A 46 46 ALA H H 46 8.235 7.755 0.480 1
1 543 . 7 1 1 A 46 46 ALA HA H 46 4.220 4.437 -0.217 1
1 547 . 7 1 1 A 46 46 ALA C C 46 178.196 177.918 0.278 1
1 548 . 7 1 1 A 46 46 ALA CA C 46 53.070 53.000 0.070 1
1 549 . 7 1 1 A 46 46 ALA CB C 46 18.840 19.719 -0.879 1
1 550 . 7 1 1 A 46 46 ALA N N 46 124.506 118.739 5.767 1
1 551 . 7 1 1 A 47 47 SER H H 47 8.150 8.097 0.053 1
1 552 . 7 1 1 A 47 47 SER HA H 47 4.331 4.283 0.048 1
1 555 . 7 1 1 A 47 47 SER C C 47 174.727 174.229 0.498 1
1 556 . 7 1 1 A 47 47 SER CA C 47 58.820 59.338 -0.518 1
1 557 . 7 1 1 A 47 47 SER CB C 47 63.520 61.402 2.118 1
1 558 . 7 1 1 A 47 47 SER N N 47 114.398 109.732 4.666 1
1 559 . 7 1 1 A 48 48 GLU H H 48 8.235 8.041 0.194 1
1 560 . 7 1 1 A 48 48 GLU HA H 48 4.244 3.932 0.312 1
1 565 . 7 1 1 A 48 48 GLU C C 48 176.396 175.811 0.585 1
1 566 . 7 1 1 A 48 48 GLU CA C 48 56.550 59.770 -3.220 1
1 567 . 7 1 1 A 48 48 GLU CB C 48 30.330 30.128 0.202 1
1 569 . 7 1 1 A 48 48 GLU N N 48 122.340 120.196 2.144 1
1 570 . 7 1 1 A 49 49 ARG H H 49 8.174 7.619 0.555 1
1 571 . 7 1 1 A 49 49 ARG HA H 49 4.339 4.603 -0.264 1
1 578 . 7 1 1 A 49 49 ARG C C 49 176.344 174.202 2.142 1
1 579 . 7 1 1 A 49 49 ARG CA C 49 55.900 54.305 1.595 1
1 580 . 7 1 1 A 49 49 ARG CB C 49 30.980 34.702 -3.722 1
1 583 . 7 1 1 A 49 49 ARG N N 49 121.431 117.947 3.484 1
1 584 . 7 1 1 A 50 50 SER H H 50 8.389 8.470 -0.081 1
1 585 . 7 1 1 A 50 50 SER HA H 50 4.392 4.695 -0.303 1
1 588 . 7 1 1 A 50 50 SER C C 50 174.517 172.934 1.583 1
1 589 . 7 1 1 A 50 50 SER CA C 50 58.230 55.858 2.372 1
1 590 . 7 1 1 A 50 50 SER CB C 50 64.010 65.445 -1.435 1
1 591 . 7 1 1 A 50 50 SER N N 50 117.321 114.869 2.452 1
1 592 . 7 1 1 A 51 51 ASN H H 51 8.488 8.259 0.229 1
1 593 . 7 1 1 A 51 51 ASN HA H 51 4.657 4.594 0.063 1
1 598 . 7 1 1 A 51 51 ASN C C 51 175.122 176.772 -1.650 1
1 599 . 7 1 1 A 51 51 ASN CA C 51 53.780 53.545 0.235 1
1 600 . 7 1 1 A 51 51 ASN CB C 51 38.770 38.324 0.446 1
1 601 . 7 1 1 A 51 51 ASN N N 51 120.903 120.453 0.450 1
1 603 . 7 1 1 A 52 52 ASP H H 52 8.231 8.847 -0.616 1
1 604 . 7 1 1 A 52 52 ASP HA H 52 4.517 4.461 0.056 1
1 607 . 7 1 1 A 52 52 ASP C C 52 176.291 176.953 -0.662 1
1 608 . 7 1 1 A 52 52 ASP CA C 52 54.500 55.705 -1.205 1
1 609 . 7 1 1 A 52 52 ASP CB C 52 41.170 40.257 0.913 1
1 610 . 7 1 1 A 52 52 ASP N N 52 120.236 123.947 -3.711 1
1 611 . 7 1 1 A 53 53 GLU H H 53 8.139 7.519 0.620 1
1 612 . 7 1 1 A 53 53 GLU HA H 53 4.194 4.446 -0.252 1
1 617 . 7 1 1 A 53 53 GLU C C 53 176.606 177.236 -0.630 1
1 618 . 7 1 1 A 53 53 GLU CA C 53 56.930 56.430 0.500 1
1 619 . 7 1 1 A 53 53 GLU CB C 53 30.500 30.655 -0.155 1
1 621 . 7 1 1 A 53 53 GLU N N 53 120.655 120.712 -0.057 1
1 622 . 7 1 1 A 54 54 VAL H H 54 8.061 8.925 -0.864 1
1 623 . 7 1 1 A 54 54 VAL HA H 54 3.978 3.914 0.064 1
1 631 . 7 1 1 A 54 54 VAL C C 54 176.278 176.256 0.022 1
1 632 . 7 1 1 A 54 54 VAL CA C 54 62.880 65.787 -2.907 1
1 633 . 7 1 1 A 54 54 VAL CB C 54 32.660 32.037 0.623 1
1 636 . 7 1 1 A 54 54 VAL N N 54 121.320 122.310 -0.990 1
1 637 . 7 1 1 A 55 55 LEU H H 55 8.209 7.955 0.254 1
1 638 . 7 1 1 A 55 55 LEU HA H 55 4.273 4.383 -0.110 1
1 648 . 7 1 1 A 55 55 LEU C C 55 177.355 176.740 0.615 1
1 649 . 7 1 1 A 55 55 LEU CA C 55 55.290 55.350 -0.060 1
1 650 . 7 1 1 A 55 55 LEU CB C 55 42.190 41.105 1.085 1
1 654 . 7 1 1 A 55 55 LEU N N 55 125.139 121.414 3.725 1
1 655 . 7 1 1 A 56 56 ASP H H 56 8.204 8.901 -0.697 1
1 656 . 7 1 1 A 56 56 ASP HA H 56 4.516 4.686 -0.170 1
1 659 . 7 1 1 A 56 56 ASP C C 56 176.633 176.372 0.261 1
1 660 . 7 1 1 A 56 56 ASP CA C 56 54.360 54.649 -0.289 1
1 661 . 7 1 1 A 56 56 ASP CB C 56 41.070 40.757 0.313 1
1 662 . 7 1 1 A 56 56 ASP N N 56 121.154 125.881 -4.727 1
1 663 . 7 1 1 A 57 57 GLU H H 57 8.316 8.038 0.278 1
1 664 . 7 1 1 A 57 57 GLU HA H 57 4.164 4.408 -0.244 1
1 669 . 7 1 1 A 57 57 GLU C C 57 177.158 176.825 0.333 1
1 670 . 7 1 1 A 57 57 GLU CA C 57 57.650 56.204 1.446 1
1 671 . 7 1 1 A 57 57 GLU CB C 57 30.020 30.188 -0.168 1
1 673 . 7 1 1 A 57 57 GLU N N 57 120.771 117.277 3.494 1
1 674 . 7 1 1 A 58 58 LEU H H 58 8.204 6.849 1.355 1
1 675 . 7 1 1 A 58 58 LEU HA H 58 4.231 4.248 -0.017 1
1 685 . 7 1 1 A 58 58 LEU C C 58 178.538 177.195 1.343 1
1 686 . 7 1 1 A 58 58 LEU CA C 58 55.690 54.393 1.297 1
1 687 . 7 1 1 A 58 58 LEU CB C 58 42.230 41.821 0.409 1
1 691 . 7 1 1 A 58 58 LEU N N 58 120.716 121.369 -0.653 1
1 692 . 7 1 1 A 59 59 GLY H H 59 8.212 8.594 -0.382 1
1 693 . 7 1 1 A 59 59 GLY HA2 H 59 3.917 4.080 -0.163 1
1 694 . 7 1 1 A 59 59 GLY HA3 H 59 3.917 4.084 -0.167 1
1 695 . 7 1 1 A 59 59 GLY C C 59 174.294 175.057 -0.763 1
1 696 . 7 1 1 A 59 59 GLY CA C 59 45.550 44.895 0.655 1
1 697 . 7 1 1 A 59 59 GLY N N 59 108.670 107.820 0.850 1
1 698 . 7 1 1 A 60 60 GLN H H 60 8.310 8.903 -0.593 1
1 699 . 7 1 1 A 60 60 GLN HA H 60 4.079 4.050 0.029 1
1 706 . 7 1 1 A 60 60 GLN C C 60 177.171 177.734 -0.563 1
1 707 . 7 1 1 A 60 60 GLN CA C 60 57.590 58.859 -1.269 1
1 708 . 7 1 1 A 60 60 GLN CB C 60 28.960 27.933 1.027 1
1 710 . 7 1 1 A 60 60 GLN N N 60 120.662 121.669 -1.007 1
1 712 . 7 1 1 A 61 61 VAL H H 61 8.136 8.220 -0.084 1
1 713 . 7 1 1 A 61 61 VAL HA H 61 3.971 3.785 0.186 1
1 721 . 7 1 1 A 61 61 VAL C C 61 178.262 178.474 -0.212 1
1 722 . 7 1 1 A 61 61 VAL CA C 61 64.420 66.176 -1.756 1
1 723 . 7 1 1 A 61 61 VAL CB C 61 32.110 31.117 0.993 1
1 726 . 7 1 1 A 61 61 VAL N N 61 119.154 120.143 -0.989 1
1 727 . 7 1 1 A 62 62 GLY H H 62 8.183 8.398 -0.215 1
1 728 . 7 1 1 A 62 62 GLY HA2 H 62 3.966 3.690 0.276 1
1 729 . 7 1 1 A 62 62 GLY HA3 H 62 3.783 3.697 0.086 1
1 730 . 7 1 1 A 62 62 GLY C C 62 174.872 176.029 -1.157 1
1 731 . 7 1 1 A 62 62 GLY CA C 62 46.780 47.220 -0.440 1
1 732 . 7 1 1 A 62 62 GLY N N 62 110.813 108.256 2.557 1
1 733 . 7 1 1 A 63 63 GLN H H 63 8.235 7.609 0.626 1
1 734 . 7 1 1 A 63 63 GLN HA H 63 3.966 3.983 -0.017 1
1 741 . 7 1 1 A 63 63 GLN C C 63 178.170 178.755 -0.585 1
1 742 . 7 1 1 A 63 63 GLN CA C 63 58.990 58.766 0.224 1
1 743 . 7 1 1 A 63 63 GLN CB C 63 28.500 28.357 0.143 1
1 745 . 7 1 1 A 63 63 GLN N N 63 120.667 121.701 -1.034 1
1 747 . 7 1 1 A 64 64 ASP H H 64 8.386 8.199 0.187 1
1 748 . 7 1 1 A 64 64 ASP HA H 64 4.347 4.394 -0.047 1
1 751 . 7 1 1 A 64 64 ASP C C 64 178.669 178.680 -0.011 1
1 752 . 7 1 1 A 64 64 ASP CA C 64 56.860 56.813 0.047 1
1 753 . 7 1 1 A 64 64 ASP CB C 64 39.970 40.157 -0.187 1
1 754 . 7 1 1 A 64 64 ASP N N 64 120.058 120.442 -0.384 1
1 755 . 7 1 1 A 65 65 GLU H H 65 7.992 7.971 0.021 1
1 756 . 7 1 1 A 65 65 GLU HA H 65 3.542 4.125 -0.583 1
1 761 . 7 1 1 A 65 65 GLU C C 65 177.842 178.965 -1.123 1
1 762 . 7 1 1 A 65 65 GLU CA C 65 59.560 58.778 0.782 1
1 763 . 7 1 1 A 65 65 GLU CB C 65 29.100 29.365 -0.265 1
1 765 . 7 1 1 A 65 65 GLU N N 65 123.846 119.322 4.524 1
1 766 . 7 1 1 A 66 66 LEU H H 66 8.100 8.211 -0.111 1
1 767 . 7 1 1 A 66 66 LEU HA H 66 3.783 3.869 -0.086 1
1 777 . 7 1 1 A 66 66 LEU C C 66 178.893 178.906 -0.013 1
1 778 . 7 1 1 A 66 66 LEU CA C 66 58.610 57.687 0.923 1
1 779 . 7 1 1 A 66 66 LEU CB C 66 41.510 41.462 0.048 1
1 783 . 7 1 1 A 66 66 LEU N N 66 119.444 120.521 -1.077 1
1 784 . 7 1 1 A 67 67 ARG H H 67 7.870 8.327 -0.457 1
1 785 . 7 1 1 A 67 67 ARG HA H 67 4.095 3.921 0.174 1
1 792 . 7 1 1 A 67 67 ARG C C 67 179.484 178.025 1.459 1
1 793 . 7 1 1 A 67 67 ARG CA C 67 59.490 59.667 -0.177 1
1 794 . 7 1 1 A 67 67 ARG CB C 67 30.230 29.877 0.353 1
1 797 . 7 1 1 A 67 67 ARG N N 67 118.088 119.575 -1.487 1
1 798 . 7 1 1 A 68 68 ALA H H 68 7.820 7.590 0.230 1
1 799 . 7 1 1 A 68 68 ALA HA H 68 4.188 4.031 0.157 1
1 803 . 7 1 1 A 68 68 ALA C C 68 181.626 180.239 1.387 1
1 804 . 7 1 1 A 68 68 ALA CA C 68 54.840 54.973 -0.133 1
1 805 . 7 1 1 A 68 68 ALA CB C 68 18.400 18.456 -0.056 1
1 806 . 7 1 1 A 68 68 ALA N N 68 123.318 121.492 1.826 1
1 807 . 7 1 1 A 69 69 ILE H H 69 8.643 7.719 0.924 1
1 808 . 7 1 1 A 69 69 ILE HA H 69 3.539 3.720 -0.181 1
1 818 . 7 1 1 A 69 69 ILE C C 69 177.290 177.500 -0.210 1
1 819 . 7 1 1 A 69 69 ILE CA C 69 66.370 65.264 1.106 1
1 820 . 7 1 1 A 69 69 ILE CB C 69 38.090 38.098 -0.008 1
1 824 . 7 1 1 A 69 69 ILE N N 69 122.954 118.966 3.988 1
1 825 . 7 1 1 A 70 70 ASP H H 70 8.415 8.346 0.069 1
1 826 . 7 1 1 A 70 70 ASP HA H 70 4.336 4.370 -0.034 1
1 829 . 7 1 1 A 70 70 ASP C C 70 179.786 178.715 1.071 1
1 830 . 7 1 1 A 70 70 ASP CA C 70 58.130 56.994 1.136 1
1 831 . 7 1 1 A 70 70 ASP CB C 70 40.310 40.210 0.100 1
1 832 . 7 1 1 A 70 70 ASP N N 70 121.571 119.468 2.103 1
1 833 . 7 1 1 A 71 71 ALA H H 71 7.869 7.825 0.044 1
1 834 . 7 1 1 A 71 71 ALA HA H 71 4.215 4.164 0.051 1
1 838 . 7 1 1 A 71 71 ALA C C 71 180.246 179.538 0.708 1
1 839 . 7 1 1 A 71 71 ALA CA C 71 54.500 54.806 -0.306 1
1 840 . 7 1 1 A 71 71 ALA CB C 71 17.680 18.566 -0.886 1
1 841 . 7 1 1 A 71 71 ALA N N 71 121.459 122.754 -1.295 1
1 842 . 7 1 1 A 72 72 ALA H H 72 8.263 7.866 0.397 1
1 843 . 7 1 1 A 72 72 ALA HA H 72 4.045 4.328 -0.283 1
1 847 . 7 1 1 A 72 72 ALA C C 72 179.668 180.490 -0.822 1
1 848 . 7 1 1 A 72 72 ALA CA C 72 55.560 55.213 0.347 1
1 849 . 7 1 1 A 72 72 ALA CB C 72 19.870 18.294 1.576 1
1 850 . 7 1 1 A 72 72 ALA N N 72 123.378 120.860 2.518 1
1 851 . 7 1 1 A 73 73 LEU H H 73 8.790 8.433 0.357 1
1 852 . 7 1 1 A 73 73 LEU HA H 73 3.920 4.002 -0.082 1
1 862 . 7 1 1 A 73 73 LEU C C 73 180.286 179.534 0.752 1
1 863 . 7 1 1 A 73 73 LEU CA C 73 58.130 57.659 0.471 1
1 864 . 7 1 1 A 73 73 LEU CB C 73 41.200 41.136 0.064 1
1 868 . 7 1 1 A 73 73 LEU N N 73 119.015 119.323 -0.308 1
1 869 . 7 1 1 A 74 74 ALA H H 74 7.931 8.078 -0.147 1
1 870 . 7 1 1 A 74 74 ALA HA H 74 4.273 4.030 0.243 1
1 874 . 7 1 1 A 74 74 ALA C C 74 180.811 179.679 1.132 1
1 875 . 7 1 1 A 74 74 ALA CA C 74 54.960 54.887 0.073 1
1 876 . 7 1 1 A 74 74 ALA CB C 74 17.690 18.200 -0.510 1
1 877 . 7 1 1 A 74 74 ALA N N 74 124.135 122.325 1.810 1
1 878 . 7 1 1 A 75 75 ARG H H 75 7.898 7.466 0.432 1
1 879 . 7 1 1 A 75 75 ARG HA H 75 4.138 4.119 0.019 1
1 886 . 7 1 1 A 75 75 ARG C C 75 179.721 179.067 0.654 1
1 887 . 7 1 1 A 75 75 ARG CA C 75 60.170 59.232 0.938 1
1 888 . 7 1 1 A 75 75 ARG CB C 75 29.970 30.139 -0.169 1
1 891 . 7 1 1 A 75 75 ARG N N 75 120.143 116.704 3.439 1
1 892 . 7 1 1 A 76 76 ILE H H 76 8.061 8.034 0.027 1
1 893 . 7 1 1 A 76 76 ILE HA H 76 3.697 3.762 -0.065 1
1 903 . 7 1 1 A 76 76 ILE C C 76 179.392 178.102 1.290 1
1 904 . 7 1 1 A 76 76 ILE CA C 76 66.060 65.287 0.773 1
1 905 . 7 1 1 A 76 76 ILE CB C 76 37.240 37.643 -0.403 1
1 909 . 7 1 1 A 76 76 ILE N N 76 121.537 121.288 0.249 1
1 910 . 7 1 1 A 77 77 ALA H H 77 7.735 7.952 -0.217 1
1 911 . 7 1 1 A 77 77 ALA HA H 77 4.132 4.152 -0.020 1
1 915 . 7 1 1 A 77 77 ALA C C 77 179.326 178.537 0.789 1
1 916 . 7 1 1 A 77 77 ALA CA C 77 54.910 54.504 0.406 1
1 917 . 7 1 1 A 77 77 ALA CB C 77 17.950 18.324 -0.374 1
1 918 . 7 1 1 A 77 77 ALA N N 77 122.664 122.479 0.185 1
1 919 . 7 1 1 A 78 78 SER H H 78 7.999 7.563 0.436 1
1 920 . 7 1 1 A 78 78 SER HA H 78 4.472 4.630 -0.158 1
1 923 . 7 1 1 A 78 78 SER C C 78 174.675 174.647 0.028 1
1 924 . 7 1 1 A 78 78 SER CA C 78 59.260 58.335 0.925 1
1 925 . 7 1 1 A 78 78 SER CB C 78 64.070 63.583 0.487 1
1 926 . 7 1 1 A 78 78 SER N N 78 111.061 111.628 -0.567 1
1 927 . 7 1 1 A 79 79 GLY H H 79 7.844 7.854 -0.010 1
1 928 . 7 1 1 A 79 79 GLY HA2 H 79 4.233 3.982 0.251 1
1 929 . 7 1 1 A 79 79 GLY HA3 H 79 4.087 3.996 0.091 1
1 930 . 7 1 1 A 79 79 GLY C C 79 175.687 174.080 1.607 1
1 931 . 7 1 1 A 79 79 GLY CA C 79 46.470 46.423 0.047 1
1 932 . 7 1 1 A 79 79 GLY N N 79 109.909 110.080 -0.171 1
1 933 . 7 1 1 A 80 80 THR H H 80 8.408 8.141 0.267 1
1 934 . 7 1 1 A 80 80 THR HA H 80 4.504 4.621 -0.117 1
1 939 . 7 1 1 A 80 80 THR C C 80 174.793 173.909 0.884 1
1 940 . 7 1 1 A 80 80 THR CA C 80 60.280 60.971 -0.691 1
1 941 . 7 1 1 A 80 80 THR CB C 80 69.000 69.607 -0.607 1
1 943 . 7 1 1 A 80 80 THR N N 80 109.416 114.775 -5.359 1
1 944 . 7 1 1 A 81 81 PHE H H 81 7.610 7.376 0.234 1
1 945 . 7 1 1 A 81 81 PHE HA H 81 3.944 4.254 -0.310 1
1 950 . 7 1 1 A 81 81 PHE C C 81 176.462 176.901 -0.439 1
1 951 . 7 1 1 A 81 81 PHE CA C 81 59.940 59.980 -0.040 1
1 952 . 7 1 1 A 81 81 PHE CB C 81 39.700 38.760 0.940 1
1 954 . 7 1 1 A 81 81 PHE N N 81 123.672 123.664 0.008 1
1 955 . 7 1 1 A 82 82 GLY H H 82 8.827 8.285 0.542 1
1 956 . 7 1 1 A 82 82 GLY HA2 H 82 4.000 3.490 0.510 1
1 957 . 7 1 1 A 82 82 GLY HA3 H 82 2.606 3.704 -1.098 1
1 958 . 7 1 1 A 82 82 GLY C C 82 172.388 173.989 -1.601 1
1 959 . 7 1 1 A 82 82 GLY CA C 82 44.590 46.220 -1.630 1
1 960 . 7 1 1 A 82 82 GLY N N 82 115.493 113.994 1.499 1
1 961 . 7 1 1 A 83 83 THR H H 83 7.265 7.522 -0.257 1
1 962 . 7 1 1 A 83 83 THR HA H 83 4.418 4.590 -0.172 1
1 967 . 7 1 1 A 83 83 THR C C 83 173.808 172.807 1.001 1
1 968 . 7 1 1 A 83 83 THR CA C 83 61.180 61.158 0.022 1
1 969 . 7 1 1 A 83 83 THR CB C 83 70.020 71.142 -1.122 1
1 971 . 7 1 1 A 83 83 THR N N 83 115.366 114.094 1.272 1
1 972 . 7 1 1 A 84 84 CYS H H 84 9.410 8.739 0.671 1
1 973 . 7 1 1 A 84 84 CYS HA H 84 4.339 4.847 -0.508 1
1 976 . 7 1 1 A 84 84 CYS C C 84 177.986 175.821 2.165 1
1 977 . 7 1 1 A 84 84 CYS CA C 84 60.080 58.741 1.339 1
1 978 . 7 1 1 A 84 84 CYS CB C 84 30.630 27.317 3.313 1
1 979 . 7 1 1 A 84 84 CYS N N 84 131.144 125.603 5.541 1
1 980 . 7 1 1 A 85 85 VAL H H 85 8.461 8.179 0.282 1
1 981 . 7 1 1 A 85 85 VAL HA H 85 3.918 3.964 -0.046 1
1 989 . 7 1 1 A 85 85 VAL C C 85 175.608 177.366 -1.758 1
1 990 . 7 1 1 A 85 85 VAL CA C 85 64.080 64.845 -0.765 1
1 991 . 7 1 1 A 85 85 VAL CB C 85 31.730 31.572 0.158 1
1 994 . 7 1 1 A 85 85 VAL N N 85 126.221 124.300 1.921 1
1 995 . 7 1 1 A 86 86 LYS H H 86 8.924 8.153 0.771 1
1 996 . 7 1 1 A 86 86 LYS HA H 86 4.496 4.133 0.363 1
1 1005 . 7 1 1 A 86 86 LYS C C 86 177.277 177.773 -0.496 1
1 1006 . 7 1 1 A 86 86 LYS CA C 86 58.500 58.734 -0.234 1
1 1007 . 7 1 1 A 86 86 LYS CB C 86 33.780 32.906 0.874 1
1 1011 . 7 1 1 A 86 86 LYS N N 86 123.551 121.634 1.917 1
1 1012 . 7 1 1 A 87 87 CYS H H 87 8.264 7.326 0.938 1
1 1013 . 7 1 1 A 87 87 CYS HA H 87 4.925 4.623 0.302 1
1 1016 . 7 1 1 A 87 87 CYS C C 87 177.211 175.496 1.715 1
1 1017 . 7 1 1 A 87 87 CYS CA C 87 58.980 58.521 0.459 1
1 1018 . 7 1 1 A 87 87 CYS CB C 87 33.100 29.269 3.831 1
1 1019 . 7 1 1 A 87 87 CYS N N 87 117.502 114.918 2.584 1
1 1020 . 7 1 1 A 88 88 GLY H H 88 7.655 7.857 -0.202 1
1 1021 . 7 1 1 A 88 88 GLY HA2 H 88 4.159 3.947 0.212 1
1 1022 . 7 1 1 A 88 88 GLY HA3 H 88 3.729 3.949 -0.220 1
1 1023 . 7 1 1 A 88 88 GLY C C 88 173.558 174.063 -0.505 1
1 1024 . 7 1 1 A 88 88 GLY CA C 88 46.300 46.252 0.048 1
1 1025 . 7 1 1 A 88 88 GLY N N 88 111.948 111.691 0.257 1
1 1026 . 7 1 1 A 89 89 LYS H H 89 8.721 7.605 1.116 1
1 1027 . 7 1 1 A 89 89 LYS HA H 89 4.315 4.696 -0.381 1
1 1036 . 7 1 1 A 89 89 LYS C C 89 176.659 174.948 1.711 1
1 1037 . 7 1 1 A 89 89 LYS CA C 89 56.860 54.798 2.062 1
1 1038 . 7 1 1 A 89 89 LYS CB C 89 33.540 34.760 -1.220 1
1 1042 . 7 1 1 A 89 89 LYS N N 89 123.614 118.986 4.628 1
1 1043 . 7 1 1 A 90 90 ARG H H 90 8.415 8.453 -0.038 1
1 1044 . 7 1 1 A 90 90 ARG HA H 90 4.299 4.683 -0.384 1
1 1051 . 7 1 1 A 90 90 ARG C C 90 176.041 175.773 0.268 1
1 1052 . 7 1 1 A 90 90 ARG CA C 90 56.030 54.911 1.119 1
1 1053 . 7 1 1 A 90 90 ARG CB C 90 29.470 31.700 -2.230 1
1 1056 . 7 1 1 A 90 90 ARG N N 90 121.880 121.960 -0.080 1
1 1057 . 7 1 1 A 91 91 ILE H H 91 8.334 8.398 -0.064 1
1 1058 . 7 1 1 A 91 91 ILE HA H 91 3.668 4.570 -0.902 1
1 1068 . 7 1 1 A 91 91 ILE C C 91 175.003 175.898 -0.895 1
1 1069 . 7 1 1 A 91 91 ILE CA C 91 61.810 60.152 1.658 1
1 1070 . 7 1 1 A 91 91 ILE CB C 91 38.920 39.444 -0.524 1
1 1074 . 7 1 1 A 91 91 ILE N N 91 128.410 125.108 3.302 1
1 1075 . 7 1 1 A 92 92 SER H H 92 8.551 8.561 -0.010 1
1 1076 . 7 1 1 A 92 92 SER HA H 92 4.180 4.398 -0.218 1
1 1079 . 7 1 1 A 92 92 SER C C 92 175.108 174.824 0.284 1
1 1080 . 7 1 1 A 92 92 SER CA C 92 58.460 59.642 -1.182 1
1 1081 . 7 1 1 A 92 92 SER CB C 92 64.180 63.710 0.470 1
1 1082 . 7 1 1 A 92 92 SER N N 92 124.170 122.278 1.892 1
1 1083 . 7 1 1 A 93 93 GLU H H 93 8.912 8.830 0.082 1
1 1084 . 7 1 1 A 93 93 GLU HA H 93 3.939 3.966 -0.027 1
1 1089 . 7 1 1 A 93 93 GLU C C 93 178.144 177.957 0.187 1
1 1090 . 7 1 1 A 93 93 GLU CA C 93 60.080 59.513 0.567 1
1 1091 . 7 1 1 A 93 93 GLU CB C 93 29.960 29.439 0.521 1
1 1093 . 7 1 1 A 93 93 GLU N N 93 123.996 124.753 -0.757 1
1 1094 . 7 1 1 A 94 94 ASP H H 94 8.311 8.225 0.086 1
1 1095 . 7 1 1 A 94 94 ASP HA H 94 4.252 4.429 -0.177 1
1 1098 . 7 1 1 A 94 94 ASP C C 94 178.472 178.401 0.071 1
1 1099 . 7 1 1 A 94 94 ASP CA C 94 57.240 56.805 0.435 1
1 1100 . 7 1 1 A 94 94 ASP CB C 94 40.420 40.132 0.288 1
1 1101 . 7 1 1 A 94 94 ASP N N 94 116.432 120.166 -3.734 1
1 1102 . 7 1 1 A 95 95 ARG H H 95 7.365 7.949 -0.584 1
1 1103 . 7 1 1 A 95 95 ARG HA H 95 4.067 4.146 -0.079 1
1 1110 . 7 1 1 A 95 95 ARG C C 95 177.237 178.733 -1.496 1
1 1111 . 7 1 1 A 95 95 ARG CA C 95 58.870 58.438 0.432 1
1 1112 . 7 1 1 A 95 95 ARG CB C 95 29.100 29.947 -0.847 1
1 1115 . 7 1 1 A 95 95 ARG N N 95 121.517 120.383 1.134 1
1 1116 . 7 1 1 A 96 96 LEU H H 96 7.831 8.142 -0.311 1
1 1117 . 7 1 1 A 96 96 LEU HA H 96 3.735 3.779 -0.044 1
1 1127 . 7 1 1 A 96 96 LEU C C 96 177.855 179.523 -1.668 1
1 1128 . 7 1 1 A 96 96 LEU CA C 96 56.930 57.542 -0.612 1
1 1129 . 7 1 1 A 96 96 LEU CB C 96 41.300 40.990 0.310 1
1 1133 . 7 1 1 A 96 96 LEU N N 96 119.073 119.542 -0.469 1
1 1134 . 7 1 1 A 97 97 LYS H H 97 8.098 8.232 -0.134 1
1 1135 . 7 1 1 A 97 97 LYS HA H 97 4.014 4.257 -0.243 1
1 1144 . 7 1 1 A 97 97 LYS C C 97 178.433 178.718 -0.285 1
1 1145 . 7 1 1 A 97 97 LYS CA C 97 59.080 59.116 -0.036 1
1 1146 . 7 1 1 A 97 97 LYS CB C 97 32.830 32.114 0.716 1
1 1150 . 7 1 1 A 97 97 LYS N N 97 114.647 118.590 -3.943 1
1 1151 . 7 1 1 A 98 98 ALA H H 98 7.011 7.305 -0.294 1
1 1152 . 7 1 1 A 98 98 ALA HA H 98 4.196 4.158 0.038 1
1 1156 . 7 1 1 A 98 98 ALA C C 98 178.814 177.898 0.916 1
1 1157 . 7 1 1 A 98 98 ALA CA C 98 54.480 54.222 0.258 1
1 1158 . 7 1 1 A 98 98 ALA CB C 98 19.380 19.409 -0.029 1
1 1159 . 7 1 1 A 98 98 ALA N N 98 119.536 120.482 -0.946 1
1 1160 . 7 1 1 A 99 99 VAL H H 99 8.133 7.512 0.621 1
1 1161 . 7 1 1 A 99 99 VAL HA H 99 4.098 4.148 -0.050 1
1 1169 . 7 1 1 A 99 99 VAL CA C 99 58.260 59.080 -0.820 1
1 1170 . 7 1 1 A 99 99 VAL CB C 99 32.530 32.733 -0.203 1
1 1173 . 7 1 1 A 99 99 VAL N N 99 114.735 115.136 -0.401 1
1 1174 . 7 1 1 A 100 100 PRO HA H 100 4.761 4.383 0.378 1
1 1181 . 7 1 1 A 100 100 PRO C C 100 175.437 177.052 -1.615 1
1 1182 . 7 1 1 A 100 100 PRO CA C 100 65.370 64.264 1.106 1
1 1183 . 7 1 1 A 100 100 PRO CB C 100 31.190 31.745 -0.555 1
1 1186 . 7 1 1 A 101 101 TYR H H 101 6.053 7.758 -1.705 1
1 1187 . 7 1 1 A 101 101 TYR HA H 101 4.463 4.712 -0.249 1
1 1194 . 7 1 1 A 101 101 TYR C C 101 175.871 174.047 1.824 1
1 1195 . 7 1 1 A 101 101 TYR CA C 101 53.920 57.171 -3.251 1
1 1196 . 7 1 1 A 101 101 TYR CB C 101 38.230 38.308 -0.078 1
1 1199 . 7 1 1 A 101 101 TYR N N 101 108.211 114.910 -6.699 1
1 1200 . 7 1 1 A 102 102 THR H H 102 7.466 7.654 -0.188 1
1 1201 . 7 1 1 A 102 102 THR HA H 102 4.384 4.659 -0.275 1
1 1206 . 7 1 1 A 102 102 THR CA C 102 60.030 58.264 1.766 1
1 1207 . 7 1 1 A 102 102 THR CB C 102 69.600 70.402 -0.802 1
1 1209 . 7 1 1 A 102 102 THR N N 102 120.556 116.017 4.539 1
1 1210 . 7 1 1 A 103 103 PRO HA H 103 4.244 4.513 -0.269 1
1 1217 . 7 1 1 A 103 103 PRO C C 103 176.344 176.097 0.247 1
1 1218 . 7 1 1 A 103 103 PRO CA C 103 62.400 63.616 -1.216 1
1 1219 . 7 1 1 A 103 103 PRO CB C 103 32.250 31.580 0.670 1
1 1222 . 7 1 1 A 104 104 PHE H H 104 7.365 7.145 0.220 1
1 1223 . 7 1 1 A 104 104 PHE HA H 104 6.207 4.895 1.312 1
1 1230 . 7 1 1 A 104 104 PHE C C 104 176.133 175.863 0.270 1
1 1231 . 7 1 1 A 104 104 PHE CA C 104 55.220 56.864 -1.644 1
1 1232 . 7 1 1 A 104 104 PHE CB C 104 44.480 41.011 3.469 1
1 1235 . 7 1 1 A 104 104 PHE N N 104 115.933 118.530 -2.597 1
1 1236 . 7 1 1 A 105 105 CYS H H 105 9.248 8.694 0.554 1
1 1237 . 7 1 1 A 105 105 CYS HA H 105 4.638 4.711 -0.073 1
1 1240 . 7 1 1 A 105 105 CYS C C 105 174.254 175.795 -1.541 1
1 1241 . 7 1 1 A 105 105 CYS CA C 105 58.060 57.613 0.447 1
1 1242 . 7 1 1 A 105 105 CYS CB C 105 31.250 30.030 1.220 1
1 1243 . 7 1 1 A 105 105 CYS N N 105 118.999 121.073 -2.074 1
1 1244 . 7 1 1 A 106 106 GLN H H 106 8.865 8.915 -0.050 1
1 1245 . 7 1 1 A 106 106 GLN HA H 106 3.611 3.953 -0.342 1
1 1252 . 7 1 1 A 106 106 GLN C C 106 177.250 177.598 -0.348 1
1 1253 . 7 1 1 A 106 106 GLN CA C 106 59.430 59.177 0.253 1
1 1254 . 7 1 1 A 106 106 GLN CB C 106 28.750 28.424 0.326 1
1 1256 . 7 1 1 A 106 106 GLN N N 106 119.606 122.268 -2.662 1
1 1258 . 7 1 1 A 107 107 GLU H H 107 8.134 8.598 -0.464 1
1 1259 . 7 1 1 A 107 107 GLU HA H 107 3.959 4.103 -0.144 1
1 1264 . 7 1 1 A 107 107 GLU C C 107 179.616 179.425 0.191 1
1 1265 . 7 1 1 A 107 107 GLU CA C 107 60.110 59.055 1.055 1
1 1266 . 7 1 1 A 107 107 GLU CB C 107 29.990 29.235 0.755 1
1 1268 . 7 1 1 A 107 107 GLU N N 107 119.554 119.008 0.546 1
1 1269 . 7 1 1 A 108 108 CYS H H 108 8.681 8.475 0.206 1
1 1270 . 7 1 1 A 108 108 CYS HA H 108 3.783 4.139 -0.356 1
1 1273 . 7 1 1 A 108 108 CYS C C 108 177.868 176.849 1.019 1
1 1274 . 7 1 1 A 108 108 CYS CA C 108 64.110 63.125 0.985 1
1 1275 . 7 1 1 A 108 108 CYS CB C 108 29.270 26.761 2.509 1
1 1276 . 7 1 1 A 108 108 CYS N N 108 123.406 118.705 4.701 1
1 1277 . 7 1 1 A 109 109 ALA H H 109 8.094 8.263 -0.169 1
1 1278 . 7 1 1 A 109 109 ALA HA H 109 3.693 4.130 -0.437 1
1 1282 . 7 1 1 A 109 109 ALA C C 109 178.591 179.876 -1.285 1
1 1283 . 7 1 1 A 109 109 ALA CA C 109 53.710 55.015 -1.305 1
1 1284 . 7 1 1 A 109 109 ALA CB C 109 18.430 18.509 -0.079 1
1 1285 . 7 1 1 A 109 109 ALA N N 109 120.579 122.393 -1.814 1
1 1286 . 7 1 1 A 110 110 ALA H H 110 7.402 7.854 -0.452 1
1 1287 . 7 1 1 A 110 110 ALA HA H 110 4.111 4.184 -0.073 1
1 1291 . 7 1 1 A 110 110 ALA C C 110 177.408 178.495 -1.087 1
1 1292 . 7 1 1 A 110 110 ALA CA C 110 53.000 53.986 -0.986 1
1 1293 . 7 1 1 A 110 110 ALA CB C 110 18.710 18.284 0.426 1
1 1294 . 7 1 1 A 110 110 ALA N N 110 118.992 119.999 -1.007 1
1 1295 . 7 1 1 A 111 111 ALA H H 111 7.247 7.433 -0.186 1
1 1296 . 7 1 1 A 111 111 ALA HA H 111 4.300 4.415 -0.115 1
1 1300 . 7 1 1 A 111 111 ALA C C 111 176.488 177.645 -1.157 1
1 1301 . 7 1 1 A 111 111 ALA CA C 111 51.840 51.793 0.047 1
1 1302 . 7 1 1 A 111 111 ALA CB C 111 19.210 19.560 -0.350 1
1 1303 . 7 1 1 A 111 111 ALA N N 111 120.857 119.423 1.434 1
1 19 . 8 1 1 A 2 2 ALA H H 2 8.460 7.909 0.551 1
1 20 . 8 1 1 A 2 2 ALA HA H 2 4.304 4.066 0.238 1
1 24 . 8 1 1 A 2 2 ALA C C 2 178.183 177.161 1.022 1
1 25 . 8 1 1 A 2 2 ALA CA C 2 52.760 54.107 -1.347 1
1 26 . 8 1 1 A 2 2 ALA CB C 2 19.150 18.225 0.925 1
1 27 . 8 1 1 A 2 2 ALA N N 2 125.375 121.165 4.210 1
1 28 . 8 1 1 A 3 3 GLY H H 3 8.343 8.693 -0.350 1
1 29 . 8 1 1 A 3 3 GLY N N 3 108.577 108.707 -0.130 1
1 30 . 8 1 1 A 5 5 LYS HA H 5 4.355 4.378 -0.023 1
1 39 . 8 1 1 A 5 5 LYS CA C 5 56.170 57.563 -1.393 1
1 40 . 8 1 1 A 5 5 LYS CB C 5 33.170 31.482 1.688 1
1 44 . 8 1 1 A 6 6 SER HA H 6 4.429 4.649 -0.220 1
1 47 . 8 1 1 A 6 6 SER CA C 6 58.390 57.962 0.428 1
1 48 . 8 1 1 A 6 6 SER CB C 6 64.040 62.485 1.555 1
1 49 . 8 1 1 A 7 7 MET HA H 7 4.435 4.838 -0.403 1
1 57 . 8 1 1 A 7 7 MET CA C 7 55.610 54.512 1.098 1
1 58 . 8 1 1 A 7 7 MET CB C 7 33.550 34.292 -0.742 1
1 61 . 8 1 1 A 8 8 ASN HA H 8 4.837 4.379 0.458 1
1 66 . 8 1 1 A 8 8 ASN C C 8 175.910 174.756 1.154 1
1 67 . 8 1 1 A 8 8 ASN CA C 8 52.310 54.348 -2.038 1
1 68 . 8 1 1 A 8 8 ASN CB C 8 38.190 36.411 1.779 1
1 70 . 8 1 1 A 9 9 VAL H H 9 8.400 7.729 0.671 1
1 71 . 8 1 1 A 9 9 VAL HA H 9 3.908 3.722 0.186 1
1 79 . 8 1 1 A 9 9 VAL C C 9 176.738 177.472 -0.734 1
1 80 . 8 1 1 A 9 9 VAL CA C 9 65.550 66.727 -1.177 1
1 81 . 8 1 1 A 9 9 VAL CB C 9 31.970 31.589 0.381 1
1 84 . 8 1 1 A 9 9 VAL N N 9 121.216 116.674 4.542 1
1 85 . 8 1 1 A 10 10 GLU H H 10 8.596 8.046 0.550 1
1 86 . 8 1 1 A 10 10 GLU HA H 10 4.077 3.965 0.112 1
1 91 . 8 1 1 A 10 10 GLU C C 10 178.985 179.307 -0.322 1
1 92 . 8 1 1 A 10 10 GLU CA C 10 59.390 59.291 0.099 1
1 93 . 8 1 1 A 10 10 GLU CB C 10 29.000 28.767 0.233 1
1 95 . 8 1 1 A 10 10 GLU N N 10 121.274 120.004 1.270 1
1 96 . 8 1 1 A 11 11 SER H H 11 7.841 8.054 -0.213 1
1 97 . 8 1 1 A 11 11 SER HA H 11 4.138 4.118 0.020 1
1 100 . 8 1 1 A 11 11 SER C C 11 176.817 176.281 0.536 1
1 101 . 8 1 1 A 11 11 SER CA C 11 60.790 62.115 -1.325 1
1 102 . 8 1 1 A 11 11 SER CB C 11 62.470 63.175 -0.705 1
1 103 . 8 1 1 A 11 11 SER N N 11 115.238 117.202 -1.964 1
1 104 . 8 1 1 A 12 12 TYR H H 12 7.284 7.388 -0.104 1
1 105 . 8 1 1 A 12 12 TYR HA H 12 4.104 4.250 -0.146 1
1 112 . 8 1 1 A 12 12 TYR C C 12 177.132 178.016 -0.884 1
1 113 . 8 1 1 A 12 12 TYR CA C 12 62.060 61.569 0.491 1
1 114 . 8 1 1 A 12 12 TYR CB C 12 38.710 38.066 0.644 1
1 117 . 8 1 1 A 12 12 TYR N N 12 120.370 119.927 0.443 1
1 118 . 8 1 1 A 13 13 GLU H H 13 8.490 8.410 0.080 1
1 119 . 8 1 1 A 13 13 GLU HA H 13 3.432 3.891 -0.459 1
1 124 . 8 1 1 A 13 13 GLU C C 13 177.303 178.708 -1.405 1
1 125 . 8 1 1 A 13 13 GLU CA C 13 60.660 59.662 0.998 1
1 126 . 8 1 1 A 13 13 GLU CB C 13 29.200 28.716 0.484 1
1 128 . 8 1 1 A 13 13 GLU N N 13 120.162 120.684 -0.522 1
1 129 . 8 1 1 A 14 14 LYS H H 14 7.454 7.796 -0.342 1
1 130 . 8 1 1 A 14 14 LYS HA H 14 3.900 4.062 -0.162 1
1 139 . 8 1 1 A 14 14 LYS C C 14 178.249 178.711 -0.462 1
1 140 . 8 1 1 A 14 14 LYS CA C 14 59.620 59.009 0.611 1
1 141 . 8 1 1 A 14 14 LYS CB C 14 32.420 32.265 0.155 1
1 145 . 8 1 1 A 14 14 LYS N N 14 117.838 118.236 -0.398 1
1 146 . 8 1 1 A 15 15 ILE H H 15 7.409 7.622 -0.213 1
1 147 . 8 1 1 A 15 15 ILE HA H 15 3.822 3.950 -0.128 1
1 157 . 8 1 1 A 15 15 ILE C C 15 179.668 178.105 1.563 1
1 158 . 8 1 1 A 15 15 ILE CA C 15 65.030 63.109 1.921 1
1 159 . 8 1 1 A 15 15 ILE CB C 15 38.950 37.694 1.256 1
1 163 . 8 1 1 A 15 15 ILE N N 15 118.597 120.629 -2.032 1
1 164 . 8 1 1 A 16 16 LEU H H 16 8.407 8.175 0.232 1
1 165 . 8 1 1 A 16 16 LEU HA H 16 3.992 4.048 -0.056 1
1 175 . 8 1 1 A 16 16 LEU C C 16 178.512 178.985 -0.473 1
1 176 . 8 1 1 A 16 16 LEU CA C 16 58.230 58.014 0.216 1
1 177 . 8 1 1 A 16 16 LEU CB C 16 42.130 40.926 1.204 1
1 181 . 8 1 1 A 16 16 LEU N N 16 120.642 121.071 -0.429 1
1 182 . 8 1 1 A 17 17 ARG H H 17 8.789 8.065 0.724 1
1 183 . 8 1 1 A 17 17 ARG HA H 17 3.917 4.090 -0.173 1
1 190 . 8 1 1 A 17 17 ARG C C 17 179.602 178.640 0.962 1
1 191 . 8 1 1 A 17 17 ARG CA C 17 60.080 59.202 0.878 1
1 192 . 8 1 1 A 17 17 ARG CB C 17 29.620 29.763 -0.143 1
1 195 . 8 1 1 A 17 17 ARG N N 17 119.196 119.396 -0.200 1
1 196 . 8 1 1 A 18 18 ASP H H 18 8.638 8.318 0.320 1
1 197 . 8 1 1 A 18 18 ASP HA H 18 4.418 4.426 -0.008 1
1 200 . 8 1 1 A 18 18 ASP C C 18 179.116 178.616 0.500 1
1 201 . 8 1 1 A 18 18 ASP CA C 18 57.330 56.835 0.495 1
1 202 . 8 1 1 A 18 18 ASP CB C 18 39.700 40.221 -0.521 1
1 203 . 8 1 1 A 18 18 ASP N N 18 121.383 119.999 1.384 1
1 204 . 8 1 1 A 19 19 ARG H H 19 7.947 7.961 -0.014 1
1 205 . 8 1 1 A 19 19 ARG HA H 19 4.180 4.215 -0.035 1
1 212 . 8 1 1 A 19 19 ARG C C 19 177.855 178.569 -0.714 1
1 213 . 8 1 1 A 19 19 ARG CA C 19 57.680 59.650 -1.970 1
1 214 . 8 1 1 A 19 19 ARG CB C 19 29.540 29.812 -0.272 1
1 217 . 8 1 1 A 19 19 ARG N N 19 121.506 120.892 0.614 1
1 218 . 8 1 1 A 20 20 GLN H H 20 8.691 8.347 0.344 1
1 219 . 8 1 1 A 20 20 GLN HA H 20 3.589 4.037 -0.448 1
1 226 . 8 1 1 A 20 20 GLN C C 20 176.896 178.166 -1.270 1
1 227 . 8 1 1 A 20 20 GLN CA C 20 59.620 58.864 0.756 1
1 228 . 8 1 1 A 20 20 GLN CB C 20 30.020 27.942 2.078 1
1 230 . 8 1 1 A 20 20 GLN N N 20 120.162 116.872 3.290 1
1 232 . 8 1 1 A 21 21 ARG H H 21 7.959 7.544 0.415 1
1 233 . 8 1 1 A 21 21 ARG HA H 21 3.973 4.213 -0.240 1
1 240 . 8 1 1 A 21 21 ARG C C 21 178.985 179.146 -0.161 1
1 241 . 8 1 1 A 21 21 ARG CA C 21 59.800 59.063 0.737 1
1 242 . 8 1 1 A 21 21 ARG CB C 21 29.980 30.288 -0.308 1
1 245 . 8 1 1 A 21 21 ARG N N 21 117.219 119.187 -1.968 1
1 246 . 8 1 1 A 22 22 GLU H H 22 7.700 8.018 -0.318 1
1 247 . 8 1 1 A 22 22 GLU HA H 22 4.076 4.103 -0.027 1
1 252 . 8 1 1 A 22 22 GLU C C 22 179.090 179.086 0.004 1
1 253 . 8 1 1 A 22 22 GLU CA C 22 58.950 59.263 -0.313 1
1 254 . 8 1 1 A 22 22 GLU CB C 22 29.580 29.084 0.496 1
1 256 . 8 1 1 A 22 22 GLU N N 22 119.703 118.465 1.238 1
1 257 . 8 1 1 A 23 23 LEU H H 23 8.264 7.913 0.351 1
1 258 . 8 1 1 A 23 23 LEU HA H 23 3.979 4.107 -0.128 1
1 268 . 8 1 1 A 23 23 LEU C C 23 179.234 178.842 0.392 1
1 269 . 8 1 1 A 23 23 LEU CA C 23 57.990 57.659 0.331 1
1 270 . 8 1 1 A 23 23 LEU CB C 23 42.370 42.058 0.312 1
1 274 . 8 1 1 A 23 23 LEU N N 23 119.988 121.588 -1.600 1
1 275 . 8 1 1 A 24 24 TYR H H 24 8.688 8.464 0.224 1
1 276 . 8 1 1 A 24 24 TYR HA H 24 4.084 3.868 0.216 1
1 283 . 8 1 1 A 24 24 TYR C C 24 178.630 178.417 0.213 1
1 284 . 8 1 1 A 24 24 TYR CA C 24 61.670 62.070 -0.400 1
1 285 . 8 1 1 A 24 24 TYR CB C 24 37.780 38.440 -0.660 1
1 288 . 8 1 1 A 24 24 TYR N N 24 119.101 119.993 -0.892 1
1 289 . 8 1 1 A 25 25 ARG H H 25 7.945 8.073 -0.128 1
1 290 . 8 1 1 A 25 25 ARG HA H 25 4.043 4.202 -0.159 1
1 297 . 8 1 1 A 25 25 ARG C C 25 178.683 178.739 -0.056 1
1 298 . 8 1 1 A 25 25 ARG CA C 25 59.460 59.064 0.396 1
1 299 . 8 1 1 A 25 25 ARG CB C 25 30.160 29.858 0.302 1
1 302 . 8 1 1 A 25 25 ARG N N 25 118.297 119.187 -0.890 1
1 303 . 8 1 1 A 26 26 ARG H H 26 7.726 7.650 0.076 1
1 304 . 8 1 1 A 26 26 ARG HA H 26 4.067 4.106 -0.039 1
1 311 . 8 1 1 A 26 26 ARG C C 26 177.986 178.896 -0.910 1
1 312 . 8 1 1 A 26 26 ARG CA C 26 58.300 59.055 -0.755 1
1 313 . 8 1 1 A 26 26 ARG CB C 26 30.670 29.938 0.732 1
1 316 . 8 1 1 A 26 26 ARG N N 26 118.100 119.881 -1.781 1
1 317 . 8 1 1 A 27 27 LEU H H 27 7.971 7.947 0.024 1
1 318 . 8 1 1 A 27 27 LEU HA H 27 4.095 4.213 -0.118 1
1 328 . 8 1 1 A 27 27 LEU C C 27 177.461 177.589 -0.128 1
1 329 . 8 1 1 A 27 27 LEU CA C 27 56.260 56.509 -0.249 1
1 330 . 8 1 1 A 27 27 LEU CB C 27 42.260 41.444 0.816 1
1 334 . 8 1 1 A 27 27 LEU N N 27 118.633 116.702 1.931 1
1 335 . 8 1 1 A 28 28 HIS H H 28 7.863 7.789 0.074 1
1 336 . 8 1 1 A 28 28 HIS HA H 28 4.482 4.928 -0.446 1
1 341 . 8 1 1 A 28 28 HIS C C 28 174.741 176.011 -1.270 1
1 342 . 8 1 1 A 28 28 HIS CA C 28 56.310 55.253 1.057 1
1 343 . 8 1 1 A 28 28 HIS CB C 28 29.300 29.421 -0.121 1
1 346 . 8 1 1 A 28 28 HIS N N 28 116.767 117.124 -0.357 1
1 347 . 8 1 1 A 29 29 LYS H H 29 7.893 8.232 -0.339 1
1 348 . 8 1 1 A 29 29 LYS HA H 29 4.172 4.098 0.074 1
1 357 . 8 1 1 A 29 29 LYS C C 29 176.357 178.042 -1.685 1
1 358 . 8 1 1 A 29 29 LYS CA C 29 56.830 58.893 -2.063 1
1 359 . 8 1 1 A 29 29 LYS CB C 29 32.000 31.552 0.448 1
1 363 . 8 1 1 A 29 29 LYS N N 29 120.331 118.828 1.503 1
1 364 . 8 1 1 A 30 30 ILE H H 30 7.995 7.578 0.417 1
1 365 . 8 1 1 A 30 30 ILE HA H 30 4.085 3.808 0.277 1
1 375 . 8 1 1 A 30 30 ILE C C 30 176.344 177.381 -1.037 1
1 376 . 8 1 1 A 30 30 ILE CA C 30 61.440 64.159 -2.719 1
1 377 . 8 1 1 A 30 30 ILE CB C 30 39.020 37.469 1.551 1
1 381 . 8 1 1 A 30 30 ILE N N 30 120.440 116.963 3.477 1
1 382 . 8 1 1 A 31 31 GLU H H 31 8.367 7.852 0.515 1
1 383 . 8 1 1 A 31 31 GLU HA H 31 4.159 4.320 -0.161 1
1 388 . 8 1 1 A 31 31 GLU C C 31 176.265 176.509 -0.244 1
1 389 . 8 1 1 A 31 31 GLU CA C 31 56.890 56.862 0.028 1
1 390 . 8 1 1 A 31 31 GLU CB C 31 30.050 30.111 -0.061 1
1 392 . 8 1 1 A 31 31 GLU N N 31 124.043 120.064 3.979 1
1 393 . 8 1 1 A 32 32 ALA H H 32 8.138 7.704 0.434 1
1 394 . 8 1 1 A 32 32 ALA HA H 32 4.175 4.247 -0.072 1
1 398 . 8 1 1 A 32 32 ALA C C 32 177.198 175.238 1.960 1
1 399 . 8 1 1 A 32 32 ALA CA C 32 52.620 50.663 1.957 1
1 400 . 8 1 1 A 32 32 ALA CB C 32 19.490 18.943 0.547 1
1 401 . 8 1 1 A 32 32 ALA N N 32 124.170 122.950 1.220 1
1 402 . 8 1 1 A 33 33 ASP H H 33 8.157 8.625 -0.468 1
1 403 . 8 1 1 A 33 33 ASP HA H 33 4.467 4.841 -0.374 1
1 406 . 8 1 1 A 33 33 ASP C C 33 175.910 174.337 1.573 1
1 407 . 8 1 1 A 33 33 ASP CA C 33 54.500 52.791 1.709 1
1 408 . 8 1 1 A 33 33 ASP CB C 33 40.750 41.590 -0.840 1
1 409 . 8 1 1 A 33 33 ASP N N 33 118.904 122.305 -3.401 1
1 410 . 8 1 1 A 34 34 PHE H H 34 7.884 8.988 -1.104 1
1 411 . 8 1 1 A 34 34 PHE HA H 34 4.514 4.983 -0.469 1
1 418 . 8 1 1 A 34 34 PHE C C 34 175.319 176.015 -0.696 1
1 419 . 8 1 1 A 34 34 PHE CA C 34 57.610 56.616 0.994 1
1 420 . 8 1 1 A 34 34 PHE CB C 34 39.840 38.644 1.196 1
1 423 . 8 1 1 A 34 34 PHE N N 34 119.439 125.167 -5.728 1
1 424 . 8 1 1 A 35 35 GLU H H 35 8.084 8.787 -0.703 1
1 425 . 8 1 1 A 35 35 GLU HA H 35 4.190 4.200 -0.010 1
1 430 . 8 1 1 A 35 35 GLU C C 35 175.634 177.551 -1.917 1
1 431 . 8 1 1 A 35 35 GLU CA C 35 56.140 59.775 -3.635 1
1 432 . 8 1 1 A 35 35 GLU CB C 35 30.810 29.997 0.813 1
1 434 . 8 1 1 A 35 35 GLU N N 35 122.340 124.363 -2.023 1
1 435 . 8 1 1 A 36 36 GLU H H 36 8.172 7.880 0.292 1
1 436 . 8 1 1 A 36 36 GLU HA H 36 4.442 4.574 -0.132 1
1 441 . 8 1 1 A 36 36 GLU CA C 36 54.300 55.312 -1.012 1
1 442 . 8 1 1 A 36 36 GLU CB C 36 29.490 28.481 1.009 1
1 444 . 8 1 1 A 36 36 GLU N N 36 123.278 118.644 4.634 1
1 445 . 8 1 1 A 37 37 PRO HA H 37 4.339 4.520 -0.181 1
1 452 . 8 1 1 A 37 37 PRO C C 37 175.818 177.513 -1.695 1
1 453 . 8 1 1 A 37 37 PRO CA C 37 62.800 63.131 -0.331 1
1 454 . 8 1 1 A 37 37 PRO CB C 37 31.900 32.553 -0.653 1
1 457 . 8 1 1 A 38 38 ARG H H 38 8.412 8.796 -0.384 1
1 458 . 8 1 1 A 38 38 ARG HA H 38 4.255 3.646 0.609 1
1 465 . 8 1 1 A 38 38 ARG C C 38 175.818 176.472 -0.654 1
1 466 . 8 1 1 A 38 38 ARG CA C 38 55.350 58.629 -3.279 1
1 467 . 8 1 1 A 38 38 ARG CB C 38 31.010 30.642 0.368 1
1 470 . 8 1 1 A 38 38 ARG N N 38 121.791 121.528 0.263 1
1 471 . 8 1 1 A 39 39 ASN H H 39 8.624 7.879 0.745 1
1 472 . 8 1 1 A 39 39 ASN HA H 39 4.906 4.803 0.103 1
1 477 . 8 1 1 A 39 39 ASN CA C 39 51.100 54.260 -3.160 1
1 478 . 8 1 1 A 39 39 ASN CB C 39 38.560 37.352 1.208 1
1 479 . 8 1 1 A 39 39 ASN N N 39 121.594 114.692 6.902 1
1 481 . 8 1 1 A 40 40 PRO HA H 40 4.310 4.495 -0.185 1
1 488 . 8 1 1 A 40 40 PRO C C 40 176.896 175.379 1.517 1
1 489 . 8 1 1 A 40 40 PRO CA C 40 63.970 63.823 0.147 1
1 490 . 8 1 1 A 40 40 PRO CB C 40 32.210 32.069 0.141 1
1 493 . 8 1 1 A 41 41 ASP H H 41 8.219 7.736 0.483 1
1 494 . 8 1 1 A 41 41 ASP HA H 41 4.516 5.026 -0.510 1
1 497 . 8 1 1 A 41 41 ASP C C 41 176.252 174.613 1.639 1
1 498 . 8 1 1 A 41 41 ASP CA C 41 54.740 52.789 1.951 1
1 499 . 8 1 1 A 41 41 ASP CB C 41 41.100 43.916 -2.816 1
1 500 . 8 1 1 A 41 41 ASP N N 41 118.818 121.773 -2.955 1
1 501 . 8 1 1 A 42 42 ASP H H 42 7.949 8.679 -0.730 1
1 502 . 8 1 1 A 42 42 ASP HA H 42 4.516 4.620 -0.104 1
1 505 . 8 1 1 A 42 42 ASP C C 42 176.567 176.870 -0.303 1
1 506 . 8 1 1 A 42 42 ASP CA C 42 54.910 54.263 0.647 1
1 507 . 8 1 1 A 42 42 ASP CB C 42 41.100 41.974 -0.874 1
1 508 . 8 1 1 A 42 42 ASP N N 42 120.104 123.006 -2.902 1
1 509 . 8 1 1 A 43 43 GLU H H 43 8.179 8.962 -0.783 1
1 510 . 8 1 1 A 43 43 GLU HA H 43 4.153 4.137 0.016 1
1 515 . 8 1 1 A 43 43 GLU C C 43 176.488 175.758 0.730 1
1 516 . 8 1 1 A 43 43 GLU CA C 43 57.070 59.040 -1.970 1
1 517 . 8 1 1 A 43 43 GLU CB C 43 30.430 30.765 -0.335 1
1 519 . 8 1 1 A 43 43 GLU N N 43 121.153 126.682 -5.529 1
1 520 . 8 1 1 A 44 44 ASP H H 44 8.325 7.422 0.903 1
1 521 . 8 1 1 A 44 44 ASP HA H 44 4.517 4.894 -0.377 1
1 524 . 8 1 1 A 44 44 ASP C C 44 176.462 175.983 0.479 1
1 525 . 8 1 1 A 44 44 ASP CA C 44 54.360 53.924 0.436 1
1 526 . 8 1 1 A 44 44 ASP CB C 44 41.030 43.973 -2.943 1
1 527 . 8 1 1 A 44 44 ASP N N 44 121.100 118.053 3.047 1
1 528 . 8 1 1 A 45 45 ARG H H 45 8.106 8.885 -0.779 1
1 529 . 8 1 1 A 45 45 ARG HA H 45 4.252 4.089 0.163 1
1 536 . 8 1 1 A 45 45 ARG C C 45 176.475 175.896 0.579 1
1 537 . 8 1 1 A 45 45 ARG CA C 45 56.000 58.474 -2.474 1
1 538 . 8 1 1 A 45 45 ARG CB C 45 30.360 30.749 -0.389 1
1 541 . 8 1 1 A 45 45 ARG N N 45 121.258 125.082 -3.824 1
1 542 . 8 1 1 A 46 46 ALA H H 46 8.235 7.232 1.003 1
1 543 . 8 1 1 A 46 46 ALA HA H 46 4.220 4.584 -0.364 1
1 547 . 8 1 1 A 46 46 ALA C C 46 178.196 175.306 2.890 1
1 548 . 8 1 1 A 46 46 ALA CA C 46 53.070 51.725 1.345 1
1 549 . 8 1 1 A 46 46 ALA CB C 46 18.840 22.618 -3.778 1
1 550 . 8 1 1 A 46 46 ALA N N 46 124.506 119.020 5.486 1
1 551 . 8 1 1 A 47 47 SER H H 47 8.150 8.708 -0.558 1
1 552 . 8 1 1 A 47 47 SER HA H 47 4.331 4.670 -0.339 1
1 555 . 8 1 1 A 47 47 SER C C 47 174.727 174.788 -0.061 1
1 556 . 8 1 1 A 47 47 SER CA C 47 58.820 57.450 1.370 1
1 557 . 8 1 1 A 47 47 SER CB C 47 63.520 64.651 -1.131 1
1 558 . 8 1 1 A 47 47 SER N N 47 114.398 117.488 -3.090 1
1 559 . 8 1 1 A 48 48 GLU H H 48 8.235 9.012 -0.777 1
1 560 . 8 1 1 A 48 48 GLU HA H 48 4.244 3.931 0.313 1
1 565 . 8 1 1 A 48 48 GLU C C 48 176.396 177.705 -1.309 1
1 566 . 8 1 1 A 48 48 GLU CA C 48 56.550 59.476 -2.926 1
1 567 . 8 1 1 A 48 48 GLU CB C 48 30.330 30.228 0.102 1
1 569 . 8 1 1 A 48 48 GLU N N 48 122.340 125.371 -3.031 1
1 570 . 8 1 1 A 49 49 ARG H H 49 8.174 8.179 -0.005 1
1 571 . 8 1 1 A 49 49 ARG HA H 49 4.339 4.654 -0.315 1
1 578 . 8 1 1 A 49 49 ARG C C 49 176.344 177.112 -0.768 1
1 579 . 8 1 1 A 49 49 ARG CA C 49 55.900 56.953 -1.053 1
1 580 . 8 1 1 A 49 49 ARG CB C 49 30.980 32.224 -1.244 1
1 583 . 8 1 1 A 49 49 ARG N N 49 121.431 119.023 2.408 1
1 584 . 8 1 1 A 50 50 SER H H 50 8.389 8.054 0.335 1
1 585 . 8 1 1 A 50 50 SER HA H 50 4.392 4.033 0.359 1
1 588 . 8 1 1 A 50 50 SER C C 50 174.517 173.959 0.558 1
1 589 . 8 1 1 A 50 50 SER CA C 50 58.230 61.110 -2.880 1
1 590 . 8 1 1 A 50 50 SER CB C 50 64.010 61.638 2.372 1
1 591 . 8 1 1 A 50 50 SER N N 50 117.321 111.956 5.365 1
1 592 . 8 1 1 A 51 51 ASN H H 51 8.488 7.965 0.523 1
1 593 . 8 1 1 A 51 51 ASN HA H 51 4.657 4.626 0.031 1
1 598 . 8 1 1 A 51 51 ASN C C 51 175.122 175.114 0.008 1
1 599 . 8 1 1 A 51 51 ASN CA C 51 53.780 52.343 1.437 1
1 600 . 8 1 1 A 51 51 ASN CB C 51 38.770 37.421 1.349 1
1 601 . 8 1 1 A 51 51 ASN N N 51 120.903 118.868 2.035 1
1 603 . 8 1 1 A 52 52 ASP H H 52 8.231 8.539 -0.308 1
1 604 . 8 1 1 A 52 52 ASP HA H 52 4.517 4.567 -0.050 1
1 607 . 8 1 1 A 52 52 ASP C C 52 176.291 176.018 0.273 1
1 608 . 8 1 1 A 52 52 ASP CA C 52 54.500 56.340 -1.840 1
1 609 . 8 1 1 A 52 52 ASP CB C 52 41.170 41.007 0.163 1
1 610 . 8 1 1 A 52 52 ASP N N 52 120.236 126.586 -6.350 1
1 611 . 8 1 1 A 53 53 GLU H H 53 8.139 7.532 0.607 1
1 612 . 8 1 1 A 53 53 GLU HA H 53 4.194 4.410 -0.216 1
1 617 . 8 1 1 A 53 53 GLU C C 53 176.606 176.871 -0.265 1
1 618 . 8 1 1 A 53 53 GLU CA C 53 56.930 55.385 1.545 1
1 619 . 8 1 1 A 53 53 GLU CB C 53 30.500 30.511 -0.011 1
1 621 . 8 1 1 A 53 53 GLU N N 53 120.655 116.843 3.812 1
1 622 . 8 1 1 A 54 54 VAL H H 54 8.061 8.784 -0.723 1
1 623 . 8 1 1 A 54 54 VAL HA H 54 3.978 3.858 0.120 1
1 631 . 8 1 1 A 54 54 VAL C C 54 176.278 176.431 -0.153 1
1 632 . 8 1 1 A 54 54 VAL CA C 54 62.880 66.018 -3.138 1
1 633 . 8 1 1 A 54 54 VAL CB C 54 32.660 32.175 0.485 1
1 636 . 8 1 1 A 54 54 VAL N N 54 121.320 120.421 0.899 1
1 637 . 8 1 1 A 55 55 LEU H H 55 8.209 7.964 0.245 1
1 638 . 8 1 1 A 55 55 LEU HA H 55 4.273 4.340 -0.067 1
1 648 . 8 1 1 A 55 55 LEU C C 55 177.355 176.725 0.630 1
1 649 . 8 1 1 A 55 55 LEU CA C 55 55.290 55.593 -0.303 1
1 650 . 8 1 1 A 55 55 LEU CB C 55 42.190 41.099 1.091 1
1 654 . 8 1 1 A 55 55 LEU N N 55 125.139 121.513 3.626 1
1 655 . 8 1 1 A 56 56 ASP H H 56 8.204 8.849 -0.645 1
1 656 . 8 1 1 A 56 56 ASP HA H 56 4.516 4.340 0.176 1
1 659 . 8 1 1 A 56 56 ASP C C 56 176.633 177.817 -1.184 1
1 660 . 8 1 1 A 56 56 ASP CA C 56 54.360 57.046 -2.686 1
1 661 . 8 1 1 A 56 56 ASP CB C 56 41.070 40.434 0.636 1
1 662 . 8 1 1 A 56 56 ASP N N 56 121.154 126.535 -5.381 1
1 663 . 8 1 1 A 57 57 GLU H H 57 8.316 8.093 0.223 1
1 664 . 8 1 1 A 57 57 GLU HA H 57 4.164 4.259 -0.095 1
1 669 . 8 1 1 A 57 57 GLU C C 57 177.158 177.426 -0.268 1
1 670 . 8 1 1 A 57 57 GLU CA C 57 57.650 58.834 -1.184 1
1 671 . 8 1 1 A 57 57 GLU CB C 57 30.020 29.578 0.442 1
1 673 . 8 1 1 A 57 57 GLU N N 57 120.771 117.923 2.848 1
1 674 . 8 1 1 A 58 58 LEU H H 58 8.204 7.327 0.877 1
1 675 . 8 1 1 A 58 58 LEU HA H 58 4.231 4.367 -0.136 1
1 685 . 8 1 1 A 58 58 LEU C C 58 178.538 176.445 2.093 1
1 686 . 8 1 1 A 58 58 LEU CA C 58 55.690 54.002 1.688 1
1 687 . 8 1 1 A 58 58 LEU CB C 58 42.230 41.078 1.152 1
1 691 . 8 1 1 A 58 58 LEU N N 58 120.716 121.329 -0.613 1
1 692 . 8 1 1 A 59 59 GLY H H 59 8.212 8.607 -0.395 1
1 693 . 8 1 1 A 59 59 GLY HA2 H 59 3.917 4.073 -0.156 1
1 694 . 8 1 1 A 59 59 GLY HA3 H 59 3.917 4.077 -0.160 1
1 695 . 8 1 1 A 59 59 GLY C C 59 174.294 175.510 -1.216 1
1 696 . 8 1 1 A 59 59 GLY CA C 59 45.550 45.152 0.398 1
1 697 . 8 1 1 A 59 59 GLY N N 59 108.670 112.258 -3.588 1
1 698 . 8 1 1 A 60 60 GLN H H 60 8.310 8.694 -0.384 1
1 699 . 8 1 1 A 60 60 GLN HA H 60 4.079 3.865 0.214 1
1 706 . 8 1 1 A 60 60 GLN C C 60 177.171 177.393 -0.222 1
1 707 . 8 1 1 A 60 60 GLN CA C 60 57.590 58.753 -1.163 1
1 708 . 8 1 1 A 60 60 GLN CB C 60 28.960 28.649 0.311 1
1 710 . 8 1 1 A 60 60 GLN N N 60 120.662 120.849 -0.187 1
1 712 . 8 1 1 A 61 61 VAL H H 61 8.136 8.230 -0.094 1
1 713 . 8 1 1 A 61 61 VAL HA H 61 3.971 3.724 0.247 1
1 721 . 8 1 1 A 61 61 VAL C C 61 178.262 178.237 0.025 1
1 722 . 8 1 1 A 61 61 VAL CA C 61 64.420 66.097 -1.677 1
1 723 . 8 1 1 A 61 61 VAL CB C 61 32.110 31.025 1.085 1
1 726 . 8 1 1 A 61 61 VAL N N 61 119.154 118.923 0.231 1
1 727 . 8 1 1 A 62 62 GLY H H 62 8.183 8.376 -0.193 1
1 728 . 8 1 1 A 62 62 GLY HA2 H 62 3.966 3.718 0.248 1
1 729 . 8 1 1 A 62 62 GLY HA3 H 62 3.783 3.730 0.053 1
1 730 . 8 1 1 A 62 62 GLY C C 62 174.872 175.643 -0.771 1
1 731 . 8 1 1 A 62 62 GLY CA C 62 46.780 47.091 -0.311 1
1 732 . 8 1 1 A 62 62 GLY N N 62 110.813 108.645 2.168 1
1 733 . 8 1 1 A 63 63 GLN H H 63 8.235 7.960 0.275 1
1 734 . 8 1 1 A 63 63 GLN HA H 63 3.966 3.944 0.022 1
1 741 . 8 1 1 A 63 63 GLN C C 63 178.170 178.020 0.150 1
1 742 . 8 1 1 A 63 63 GLN CA C 63 58.990 58.691 0.299 1
1 743 . 8 1 1 A 63 63 GLN CB C 63 28.500 28.497 0.003 1
1 745 . 8 1 1 A 63 63 GLN N N 63 120.667 121.068 -0.401 1
1 747 . 8 1 1 A 64 64 ASP H H 64 8.386 7.964 0.422 1
1 748 . 8 1 1 A 64 64 ASP HA H 64 4.347 4.443 -0.096 1
1 751 . 8 1 1 A 64 64 ASP C C 64 178.669 178.852 -0.183 1
1 752 . 8 1 1 A 64 64 ASP CA C 64 56.860 56.680 0.180 1
1 753 . 8 1 1 A 64 64 ASP CB C 64 39.970 40.322 -0.352 1
1 754 . 8 1 1 A 64 64 ASP N N 64 120.058 119.320 0.738 1
1 755 . 8 1 1 A 65 65 GLU H H 65 7.992 7.555 0.437 1
1 756 . 8 1 1 A 65 65 GLU HA H 65 3.542 4.015 -0.473 1
1 761 . 8 1 1 A 65 65 GLU C C 65 177.842 178.923 -1.081 1
1 762 . 8 1 1 A 65 65 GLU CA C 65 59.560 58.662 0.898 1
1 763 . 8 1 1 A 65 65 GLU CB C 65 29.100 29.280 -0.180 1
1 765 . 8 1 1 A 65 65 GLU N N 65 123.846 119.912 3.934 1
1 766 . 8 1 1 A 66 66 LEU H H 66 8.100 8.433 -0.333 1
1 767 . 8 1 1 A 66 66 LEU HA H 66 3.783 3.875 -0.092 1
1 777 . 8 1 1 A 66 66 LEU C C 66 178.893 178.578 0.315 1
1 778 . 8 1 1 A 66 66 LEU CA C 66 58.610 57.907 0.703 1
1 779 . 8 1 1 A 66 66 LEU CB C 66 41.510 41.412 0.098 1
1 783 . 8 1 1 A 66 66 LEU N N 66 119.444 120.899 -1.455 1
1 784 . 8 1 1 A 67 67 ARG H H 67 7.870 8.188 -0.318 1
1 785 . 8 1 1 A 67 67 ARG HA H 67 4.095 3.884 0.211 1
1 792 . 8 1 1 A 67 67 ARG C C 67 179.484 178.554 0.930 1
1 793 . 8 1 1 A 67 67 ARG CA C 67 59.490 59.693 -0.203 1
1 794 . 8 1 1 A 67 67 ARG CB C 67 30.230 30.185 0.045 1
1 797 . 8 1 1 A 67 67 ARG N N 67 118.088 120.241 -2.153 1
1 798 . 8 1 1 A 68 68 ALA H H 68 7.820 7.578 0.242 1
1 799 . 8 1 1 A 68 68 ALA HA H 68 4.188 4.070 0.118 1
1 803 . 8 1 1 A 68 68 ALA C C 68 181.626 180.263 1.363 1
1 804 . 8 1 1 A 68 68 ALA CA C 68 54.840 54.873 -0.033 1
1 805 . 8 1 1 A 68 68 ALA CB C 68 18.400 18.708 -0.308 1
1 806 . 8 1 1 A 68 68 ALA N N 68 123.318 120.365 2.953 1
1 807 . 8 1 1 A 69 69 ILE H H 69 8.643 7.953 0.690 1
1 808 . 8 1 1 A 69 69 ILE HA H 69 3.539 3.733 -0.194 1
1 818 . 8 1 1 A 69 69 ILE C C 69 177.290 177.682 -0.392 1
1 819 . 8 1 1 A 69 69 ILE CA C 69 66.370 65.282 1.088 1
1 820 . 8 1 1 A 69 69 ILE CB C 69 38.090 38.043 0.047 1
1 824 . 8 1 1 A 69 69 ILE N N 69 122.954 119.031 3.923 1
1 825 . 8 1 1 A 70 70 ASP H H 70 8.415 8.368 0.047 1
1 826 . 8 1 1 A 70 70 ASP HA H 70 4.336 4.382 -0.046 1
1 829 . 8 1 1 A 70 70 ASP C C 70 179.786 178.764 1.022 1
1 830 . 8 1 1 A 70 70 ASP CA C 70 58.130 56.965 1.165 1
1 831 . 8 1 1 A 70 70 ASP CB C 70 40.310 40.531 -0.221 1
1 832 . 8 1 1 A 70 70 ASP N N 70 121.571 119.636 1.935 1
1 833 . 8 1 1 A 71 71 ALA H H 71 7.869 7.827 0.042 1
1 834 . 8 1 1 A 71 71 ALA HA H 71 4.215 4.154 0.061 1
1 838 . 8 1 1 A 71 71 ALA C C 71 180.246 180.062 0.184 1
1 839 . 8 1 1 A 71 71 ALA CA C 71 54.500 54.742 -0.242 1
1 840 . 8 1 1 A 71 71 ALA CB C 71 17.680 18.185 -0.505 1
1 841 . 8 1 1 A 71 71 ALA N N 71 121.459 122.966 -1.507 1
1 842 . 8 1 1 A 72 72 ALA H H 72 8.263 7.896 0.367 1
1 843 . 8 1 1 A 72 72 ALA HA H 72 4.045 4.258 -0.213 1
1 847 . 8 1 1 A 72 72 ALA C C 72 179.668 180.385 -0.717 1
1 848 . 8 1 1 A 72 72 ALA CA C 72 55.560 55.163 0.397 1
1 849 . 8 1 1 A 72 72 ALA CB C 72 19.870 18.478 1.392 1
1 850 . 8 1 1 A 72 72 ALA N N 72 123.378 121.105 2.273 1
1 851 . 8 1 1 A 73 73 LEU H H 73 8.790 8.426 0.364 1
1 852 . 8 1 1 A 73 73 LEU HA H 73 3.920 3.999 -0.079 1
1 862 . 8 1 1 A 73 73 LEU C C 73 180.286 179.184 1.102 1
1 863 . 8 1 1 A 73 73 LEU CA C 73 58.130 57.701 0.429 1
1 864 . 8 1 1 A 73 73 LEU CB C 73 41.200 41.525 -0.325 1
1 868 . 8 1 1 A 73 73 LEU N N 73 119.015 119.664 -0.649 1
1 869 . 8 1 1 A 74 74 ALA H H 74 7.931 7.865 0.066 1
1 870 . 8 1 1 A 74 74 ALA HA H 74 4.273 4.098 0.175 1
1 874 . 8 1 1 A 74 74 ALA C C 74 180.811 179.347 1.464 1
1 875 . 8 1 1 A 74 74 ALA CA C 74 54.960 54.935 0.025 1
1 876 . 8 1 1 A 74 74 ALA CB C 74 17.690 18.155 -0.465 1
1 877 . 8 1 1 A 74 74 ALA N N 74 124.135 122.155 1.980 1
1 878 . 8 1 1 A 75 75 ARG H H 75 7.898 7.704 0.194 1
1 879 . 8 1 1 A 75 75 ARG HA H 75 4.138 4.077 0.061 1
1 886 . 8 1 1 A 75 75 ARG C C 75 179.721 178.624 1.097 1
1 887 . 8 1 1 A 75 75 ARG CA C 75 60.170 59.565 0.605 1
1 888 . 8 1 1 A 75 75 ARG CB C 75 29.970 29.965 0.005 1
1 891 . 8 1 1 A 75 75 ARG N N 75 120.143 117.526 2.617 1
1 892 . 8 1 1 A 76 76 ILE H H 76 8.061 8.018 0.043 1
1 893 . 8 1 1 A 76 76 ILE HA H 76 3.697 3.729 -0.032 1
1 903 . 8 1 1 A 76 76 ILE C C 76 179.392 177.742 1.650 1
1 904 . 8 1 1 A 76 76 ILE CA C 76 66.060 65.637 0.423 1
1 905 . 8 1 1 A 76 76 ILE CB C 76 37.240 38.157 -0.917 1
1 909 . 8 1 1 A 76 76 ILE N N 76 121.537 121.303 0.234 1
1 910 . 8 1 1 A 77 77 ALA H H 77 7.735 8.125 -0.390 1
1 911 . 8 1 1 A 77 77 ALA HA H 77 4.132 4.138 -0.006 1
1 915 . 8 1 1 A 77 77 ALA C C 77 179.326 179.727 -0.401 1
1 916 . 8 1 1 A 77 77 ALA CA C 77 54.910 55.193 -0.283 1
1 917 . 8 1 1 A 77 77 ALA CB C 77 17.950 18.180 -0.230 1
1 918 . 8 1 1 A 77 77 ALA N N 77 122.664 122.149 0.515 1
1 919 . 8 1 1 A 78 78 SER H H 78 7.999 7.503 0.496 1
1 920 . 8 1 1 A 78 78 SER HA H 78 4.472 4.537 -0.065 1
1 923 . 8 1 1 A 78 78 SER C C 78 174.675 174.869 -0.194 1
1 924 . 8 1 1 A 78 78 SER CA C 78 59.260 58.494 0.766 1
1 925 . 8 1 1 A 78 78 SER CB C 78 64.070 63.951 0.119 1
1 926 . 8 1 1 A 78 78 SER N N 78 111.061 111.067 -0.006 1
1 927 . 8 1 1 A 79 79 GLY H H 79 7.844 7.862 -0.018 1
1 928 . 8 1 1 A 79 79 GLY HA2 H 79 4.233 4.026 0.207 1
1 929 . 8 1 1 A 79 79 GLY HA3 H 79 4.087 4.042 0.045 1
1 930 . 8 1 1 A 79 79 GLY C C 79 175.687 174.261 1.426 1
1 931 . 8 1 1 A 79 79 GLY CA C 79 46.470 46.355 0.115 1
1 932 . 8 1 1 A 79 79 GLY N N 79 109.909 109.200 0.709 1
1 933 . 8 1 1 A 80 80 THR H H 80 8.408 8.115 0.293 1
1 934 . 8 1 1 A 80 80 THR HA H 80 4.504 4.609 -0.105 1
1 939 . 8 1 1 A 80 80 THR C C 80 174.793 174.095 0.698 1
1 940 . 8 1 1 A 80 80 THR CA C 80 60.280 61.097 -0.817 1
1 941 . 8 1 1 A 80 80 THR CB C 80 69.000 69.489 -0.489 1
1 943 . 8 1 1 A 80 80 THR N N 80 109.416 114.688 -5.272 1
1 944 . 8 1 1 A 81 81 PHE H H 81 7.610 7.771 -0.161 1
1 945 . 8 1 1 A 81 81 PHE HA H 81 3.944 4.285 -0.341 1
1 950 . 8 1 1 A 81 81 PHE C C 81 176.462 176.914 -0.452 1
1 951 . 8 1 1 A 81 81 PHE CA C 81 59.940 60.075 -0.135 1
1 952 . 8 1 1 A 81 81 PHE CB C 81 39.700 38.610 1.090 1
1 954 . 8 1 1 A 81 81 PHE N N 81 123.672 123.541 0.131 1
1 955 . 8 1 1 A 82 82 GLY H H 82 8.827 8.277 0.550 1
1 956 . 8 1 1 A 82 82 GLY HA2 H 82 4.000 3.548 0.452 1
1 957 . 8 1 1 A 82 82 GLY HA3 H 82 2.606 3.753 -1.147 1
1 958 . 8 1 1 A 82 82 GLY C C 82 172.388 173.890 -1.502 1
1 959 . 8 1 1 A 82 82 GLY CA C 82 44.590 45.949 -1.359 1
1 960 . 8 1 1 A 82 82 GLY N N 82 115.493 114.146 1.347 1
1 961 . 8 1 1 A 83 83 THR H H 83 7.265 7.540 -0.275 1
1 962 . 8 1 1 A 83 83 THR HA H 83 4.418 4.783 -0.365 1
1 967 . 8 1 1 A 83 83 THR C C 83 173.808 173.173 0.635 1
1 968 . 8 1 1 A 83 83 THR CA C 83 61.180 61.229 -0.049 1
1 969 . 8 1 1 A 83 83 THR CB C 83 70.020 70.760 -0.740 1
1 971 . 8 1 1 A 83 83 THR N N 83 115.366 114.847 0.519 1
1 972 . 8 1 1 A 84 84 CYS H H 84 9.410 8.493 0.917 1
1 973 . 8 1 1 A 84 84 CYS HA H 84 4.339 4.441 -0.102 1
1 976 . 8 1 1 A 84 84 CYS C C 84 177.986 175.578 2.408 1
1 977 . 8 1 1 A 84 84 CYS CA C 84 60.080 59.204 0.876 1
1 978 . 8 1 1 A 84 84 CYS CB C 84 30.630 27.636 2.994 1
1 979 . 8 1 1 A 84 84 CYS N N 84 131.144 125.652 5.492 1
1 980 . 8 1 1 A 85 85 VAL H H 85 8.461 8.025 0.436 1
1 981 . 8 1 1 A 85 85 VAL HA H 85 3.918 3.688 0.230 1
1 989 . 8 1 1 A 85 85 VAL C C 85 175.608 177.698 -2.090 1
1 990 . 8 1 1 A 85 85 VAL CA C 85 64.080 65.306 -1.226 1
1 991 . 8 1 1 A 85 85 VAL CB C 85 31.730 31.334 0.396 1
1 994 . 8 1 1 A 85 85 VAL N N 85 126.221 125.013 1.208 1
1 995 . 8 1 1 A 86 86 LYS H H 86 8.924 8.120 0.804 1
1 996 . 8 1 1 A 86 86 LYS HA H 86 4.496 4.179 0.317 1
1 1005 . 8 1 1 A 86 86 LYS C C 86 177.277 177.545 -0.268 1
1 1006 . 8 1 1 A 86 86 LYS CA C 86 58.500 59.067 -0.567 1
1 1007 . 8 1 1 A 86 86 LYS CB C 86 33.780 32.438 1.342 1
1 1011 . 8 1 1 A 86 86 LYS N N 86 123.551 121.645 1.906 1
1 1012 . 8 1 1 A 87 87 CYS H H 87 8.264 7.780 0.484 1
1 1013 . 8 1 1 A 87 87 CYS HA H 87 4.925 4.578 0.347 1
1 1016 . 8 1 1 A 87 87 CYS C C 87 177.211 175.043 2.168 1
1 1017 . 8 1 1 A 87 87 CYS CA C 87 58.980 59.297 -0.317 1
1 1018 . 8 1 1 A 87 87 CYS CB C 87 33.100 29.890 3.210 1
1 1019 . 8 1 1 A 87 87 CYS N N 87 117.502 115.566 1.936 1
1 1020 . 8 1 1 A 88 88 GLY H H 88 7.655 7.996 -0.341 1
1 1021 . 8 1 1 A 88 88 GLY HA2 H 88 4.159 3.920 0.239 1
1 1022 . 8 1 1 A 88 88 GLY HA3 H 88 3.729 3.920 -0.191 1
1 1023 . 8 1 1 A 88 88 GLY C C 88 173.558 173.844 -0.286 1
1 1024 . 8 1 1 A 88 88 GLY CA C 88 46.300 46.658 -0.358 1
1 1025 . 8 1 1 A 88 88 GLY N N 88 111.948 110.777 1.171 1
1 1026 . 8 1 1 A 89 89 LYS H H 89 8.721 7.432 1.289 1
1 1027 . 8 1 1 A 89 89 LYS HA H 89 4.315 4.908 -0.593 1
1 1036 . 8 1 1 A 89 89 LYS C C 89 176.659 174.412 2.247 1
1 1037 . 8 1 1 A 89 89 LYS CA C 89 56.860 54.333 2.527 1
1 1038 . 8 1 1 A 89 89 LYS CB C 89 33.540 36.232 -2.692 1
1 1042 . 8 1 1 A 89 89 LYS N N 89 123.614 118.759 4.855 1
1 1043 . 8 1 1 A 90 90 ARG H H 90 8.415 8.562 -0.147 1
1 1044 . 8 1 1 A 90 90 ARG HA H 90 4.299 4.872 -0.573 1
1 1051 . 8 1 1 A 90 90 ARG C C 90 176.041 175.674 0.367 1
1 1052 . 8 1 1 A 90 90 ARG CA C 90 56.030 55.021 1.009 1
1 1053 . 8 1 1 A 90 90 ARG CB C 90 29.470 32.041 -2.571 1
1 1056 . 8 1 1 A 90 90 ARG N N 90 121.880 121.632 0.248 1
1 1057 . 8 1 1 A 91 91 ILE H H 91 8.334 8.402 -0.068 1
1 1058 . 8 1 1 A 91 91 ILE HA H 91 3.668 4.574 -0.906 1
1 1068 . 8 1 1 A 91 91 ILE C C 91 175.003 176.335 -1.332 1
1 1069 . 8 1 1 A 91 91 ILE CA C 91 61.810 60.053 1.757 1
1 1070 . 8 1 1 A 91 91 ILE CB C 91 38.920 39.060 -0.140 1
1 1074 . 8 1 1 A 91 91 ILE N N 91 128.410 126.402 2.008 1
1 1075 . 8 1 1 A 92 92 SER H H 92 8.551 8.738 -0.187 1
1 1076 . 8 1 1 A 92 92 SER HA H 92 4.180 4.456 -0.276 1
1 1079 . 8 1 1 A 92 92 SER C C 92 175.108 175.137 -0.029 1
1 1080 . 8 1 1 A 92 92 SER CA C 92 58.460 58.799 -0.339 1
1 1081 . 8 1 1 A 92 92 SER CB C 92 64.180 63.651 0.529 1
1 1082 . 8 1 1 A 92 92 SER N N 92 124.170 120.772 3.398 1
1 1083 . 8 1 1 A 93 93 GLU H H 93 8.912 8.926 -0.014 1
1 1084 . 8 1 1 A 93 93 GLU HA H 93 3.939 3.991 -0.052 1
1 1089 . 8 1 1 A 93 93 GLU C C 93 178.144 177.950 0.194 1
1 1090 . 8 1 1 A 93 93 GLU CA C 93 60.080 59.380 0.700 1
1 1091 . 8 1 1 A 93 93 GLU CB C 93 29.960 29.372 0.588 1
1 1093 . 8 1 1 A 93 93 GLU N N 93 123.996 124.750 -0.754 1
1 1094 . 8 1 1 A 94 94 ASP H H 94 8.311 8.302 0.009 1
1 1095 . 8 1 1 A 94 94 ASP HA H 94 4.252 4.467 -0.215 1
1 1098 . 8 1 1 A 94 94 ASP C C 94 178.472 178.426 0.046 1
1 1099 . 8 1 1 A 94 94 ASP CA C 94 57.240 56.234 1.006 1
1 1100 . 8 1 1 A 94 94 ASP CB C 94 40.420 40.229 0.191 1
1 1101 . 8 1 1 A 94 94 ASP N N 94 116.432 120.077 -3.645 1
1 1102 . 8 1 1 A 95 95 ARG H H 95 7.365 7.951 -0.586 1
1 1103 . 8 1 1 A 95 95 ARG HA H 95 4.067 4.129 -0.062 1
1 1110 . 8 1 1 A 95 95 ARG C C 95 177.237 178.461 -1.224 1
1 1111 . 8 1 1 A 95 95 ARG CA C 95 58.870 58.443 0.427 1
1 1112 . 8 1 1 A 95 95 ARG CB C 95 29.100 29.928 -0.828 1
1 1115 . 8 1 1 A 95 95 ARG N N 95 121.517 120.573 0.944 1
1 1116 . 8 1 1 A 96 96 LEU H H 96 7.831 7.835 -0.004 1
1 1117 . 8 1 1 A 96 96 LEU HA H 96 3.735 4.017 -0.282 1
1 1127 . 8 1 1 A 96 96 LEU C C 96 177.855 179.236 -1.381 1
1 1128 . 8 1 1 A 96 96 LEU CA C 96 56.930 56.766 0.164 1
1 1129 . 8 1 1 A 96 96 LEU CB C 96 41.300 41.379 -0.079 1
1 1133 . 8 1 1 A 96 96 LEU N N 96 119.073 119.359 -0.286 1
1 1134 . 8 1 1 A 97 97 LYS H H 97 8.098 8.559 -0.461 1
1 1135 . 8 1 1 A 97 97 LYS HA H 97 4.014 4.289 -0.275 1
1 1144 . 8 1 1 A 97 97 LYS C C 97 178.433 178.687 -0.254 1
1 1145 . 8 1 1 A 97 97 LYS CA C 97 59.080 59.052 0.028 1
1 1146 . 8 1 1 A 97 97 LYS CB C 97 32.830 31.922 0.908 1
1 1150 . 8 1 1 A 97 97 LYS N N 97 114.647 118.606 -3.959 1
1 1151 . 8 1 1 A 98 98 ALA H H 98 7.011 7.254 -0.243 1
1 1152 . 8 1 1 A 98 98 ALA HA H 98 4.196 4.258 -0.062 1
1 1156 . 8 1 1 A 98 98 ALA C C 98 178.814 177.841 0.973 1
1 1157 . 8 1 1 A 98 98 ALA CA C 98 54.480 54.210 0.270 1
1 1158 . 8 1 1 A 98 98 ALA CB C 98 19.380 19.679 -0.299 1
1 1159 . 8 1 1 A 98 98 ALA N N 98 119.536 121.022 -1.486 1
1 1160 . 8 1 1 A 99 99 VAL H H 99 8.133 7.778 0.355 1
1 1161 . 8 1 1 A 99 99 VAL HA H 99 4.098 4.307 -0.209 1
1 1169 . 8 1 1 A 99 99 VAL CA C 99 58.260 58.953 -0.693 1
1 1170 . 8 1 1 A 99 99 VAL CB C 99 32.530 32.568 -0.038 1
1 1173 . 8 1 1 A 99 99 VAL N N 99 114.735 115.291 -0.556 1
1 1174 . 8 1 1 A 100 100 PRO HA H 100 4.761 4.221 0.540 1
1 1181 . 8 1 1 A 100 100 PRO C C 100 175.437 177.300 -1.863 1
1 1182 . 8 1 1 A 100 100 PRO CA C 100 65.370 64.481 0.889 1
1 1183 . 8 1 1 A 100 100 PRO CB C 100 31.190 31.766 -0.576 1
1 1186 . 8 1 1 A 101 101 TYR H H 101 6.053 7.673 -1.620 1
1 1187 . 8 1 1 A 101 101 TYR HA H 101 4.463 4.581 -0.118 1
1 1194 . 8 1 1 A 101 101 TYR C C 101 175.871 176.154 -0.283 1
1 1195 . 8 1 1 A 101 101 TYR CA C 101 53.920 57.256 -3.336 1
1 1196 . 8 1 1 A 101 101 TYR CB C 101 38.230 38.439 -0.209 1
1 1199 . 8 1 1 A 101 101 TYR N N 101 108.211 114.275 -6.064 1
1 1200 . 8 1 1 A 102 102 THR H H 102 7.466 7.411 0.055 1
1 1201 . 8 1 1 A 102 102 THR HA H 102 4.384 4.381 0.003 1
1 1206 . 8 1 1 A 102 102 THR CA C 102 60.030 59.531 0.499 1
1 1207 . 8 1 1 A 102 102 THR CB C 102 69.600 69.667 -0.067 1
1 1209 . 8 1 1 A 102 102 THR N N 102 120.556 115.701 4.855 1
1 1210 . 8 1 1 A 103 103 PRO HA H 103 4.244 4.316 -0.072 1
1 1217 . 8 1 1 A 103 103 PRO C C 103 176.344 176.030 0.314 1
1 1218 . 8 1 1 A 103 103 PRO CA C 103 62.400 64.422 -2.022 1
1 1219 . 8 1 1 A 103 103 PRO CB C 103 32.250 31.627 0.623 1
1 1222 . 8 1 1 A 104 104 PHE H H 104 7.365 7.366 -0.001 1
1 1223 . 8 1 1 A 104 104 PHE HA H 104 6.207 4.876 1.331 1
1 1230 . 8 1 1 A 104 104 PHE C C 104 176.133 175.721 0.412 1
1 1231 . 8 1 1 A 104 104 PHE CA C 104 55.220 57.254 -2.034 1
1 1232 . 8 1 1 A 104 104 PHE CB C 104 44.480 40.940 3.540 1
1 1235 . 8 1 1 A 104 104 PHE N N 104 115.933 117.980 -2.047 1
1 1236 . 8 1 1 A 105 105 CYS H H 105 9.248 8.453 0.795 1
1 1237 . 8 1 1 A 105 105 CYS HA H 105 4.638 4.640 -0.002 1
1 1240 . 8 1 1 A 105 105 CYS C C 105 174.254 175.564 -1.310 1
1 1241 . 8 1 1 A 105 105 CYS CA C 105 58.060 58.247 -0.187 1
1 1242 . 8 1 1 A 105 105 CYS CB C 105 31.250 29.598 1.652 1
1 1243 . 8 1 1 A 105 105 CYS N N 105 118.999 120.487 -1.488 1
1 1244 . 8 1 1 A 106 106 GLN H H 106 8.865 8.884 -0.019 1
1 1245 . 8 1 1 A 106 106 GLN HA H 106 3.611 3.977 -0.366 1
1 1252 . 8 1 1 A 106 106 GLN C C 106 177.250 177.692 -0.442 1
1 1253 . 8 1 1 A 106 106 GLN CA C 106 59.430 59.153 0.277 1
1 1254 . 8 1 1 A 106 106 GLN CB C 106 28.750 28.504 0.246 1
1 1256 . 8 1 1 A 106 106 GLN N N 106 119.606 122.480 -2.874 1
1 1258 . 8 1 1 A 107 107 GLU H H 107 8.134 8.235 -0.101 1
1 1259 . 8 1 1 A 107 107 GLU HA H 107 3.959 4.040 -0.081 1
1 1264 . 8 1 1 A 107 107 GLU C C 107 179.616 178.946 0.670 1
1 1265 . 8 1 1 A 107 107 GLU CA C 107 60.110 59.072 1.038 1
1 1266 . 8 1 1 A 107 107 GLU CB C 107 29.990 29.846 0.144 1
1 1268 . 8 1 1 A 107 107 GLU N N 107 119.554 119.135 0.419 1
1 1269 . 8 1 1 A 108 108 CYS H H 108 8.681 8.086 0.595 1
1 1270 . 8 1 1 A 108 108 CYS HA H 108 3.783 4.411 -0.628 1
1 1273 . 8 1 1 A 108 108 CYS C C 108 177.868 175.585 2.283 1
1 1274 . 8 1 1 A 108 108 CYS CA C 108 64.110 60.881 3.229 1
1 1275 . 8 1 1 A 108 108 CYS CB C 108 29.270 27.452 1.818 1
1 1276 . 8 1 1 A 108 108 CYS N N 108 123.406 118.605 4.801 1
1 1277 . 8 1 1 A 109 109 ALA H H 109 8.094 7.806 0.288 1
1 1278 . 8 1 1 A 109 109 ALA HA H 109 3.693 4.179 -0.486 1
1 1282 . 8 1 1 A 109 109 ALA C C 109 178.591 179.481 -0.890 1
1 1283 . 8 1 1 A 109 109 ALA CA C 109 53.710 53.885 -0.175 1
1 1284 . 8 1 1 A 109 109 ALA CB C 109 18.430 18.839 -0.409 1
1 1285 . 8 1 1 A 109 109 ALA N N 109 120.579 122.558 -1.979 1
1 1286 . 8 1 1 A 110 110 ALA H H 110 7.402 7.896 -0.494 1
1 1287 . 8 1 1 A 110 110 ALA HA H 110 4.111 4.151 -0.040 1
1 1291 . 8 1 1 A 110 110 ALA C C 110 177.408 179.702 -2.294 1
1 1292 . 8 1 1 A 110 110 ALA CA C 110 53.000 54.476 -1.476 1
1 1293 . 8 1 1 A 110 110 ALA CB C 110 18.710 18.280 0.430 1
1 1294 . 8 1 1 A 110 110 ALA N N 110 118.992 119.899 -0.907 1
1 1295 . 8 1 1 A 111 111 ALA H H 111 7.247 7.613 -0.366 1
1 1296 . 8 1 1 A 111 111 ALA HA H 111 4.300 4.134 0.166 1
1 1300 . 8 1 1 A 111 111 ALA C C 111 176.488 178.482 -1.994 1
1 1301 . 8 1 1 A 111 111 ALA CA C 111 51.840 53.730 -1.890 1
1 1302 . 8 1 1 A 111 111 ALA CB C 111 19.210 18.515 0.695 1
1 1303 . 8 1 1 A 111 111 ALA N N 111 120.857 119.173 1.684 1
1 19 . 9 1 1 A 2 2 ALA H H 2 8.460 8.458 0.002 1
1 20 . 9 1 1 A 2 2 ALA HA H 2 4.304 4.858 -0.554 1
1 24 . 9 1 1 A 2 2 ALA C C 2 178.183 176.934 1.249 1
1 25 . 9 1 1 A 2 2 ALA CA C 2 52.760 51.750 1.010 1
1 26 . 9 1 1 A 2 2 ALA CB C 2 19.150 22.873 -3.723 1
1 27 . 9 1 1 A 2 2 ALA N N 2 125.375 121.821 3.554 1
1 28 . 9 1 1 A 3 3 GLY H H 3 8.343 8.546 -0.203 1
1 29 . 9 1 1 A 3 3 GLY N N 3 108.577 111.927 -3.350 1
1 30 . 9 1 1 A 5 5 LYS HA H 5 4.355 4.935 -0.580 1
1 39 . 9 1 1 A 5 5 LYS CA C 5 56.170 54.399 1.771 1
1 40 . 9 1 1 A 5 5 LYS CB C 5 33.170 35.819 -2.649 1
1 44 . 9 1 1 A 6 6 SER HA H 6 4.429 4.409 0.020 1
1 47 . 9 1 1 A 6 6 SER CA C 6 58.390 58.523 -0.133 1
1 48 . 9 1 1 A 6 6 SER CB C 6 64.040 62.996 1.044 1
1 49 . 9 1 1 A 7 7 MET HA H 7 4.435 4.598 -0.163 1
1 57 . 9 1 1 A 7 7 MET CA C 7 55.610 54.595 1.015 1
1 58 . 9 1 1 A 7 7 MET CB C 7 33.550 31.386 2.164 1
1 61 . 9 1 1 A 8 8 ASN HA H 8 4.837 4.838 -0.001 1
1 66 . 9 1 1 A 8 8 ASN C C 8 175.910 176.007 -0.097 1
1 67 . 9 1 1 A 8 8 ASN CA C 8 52.310 52.424 -0.114 1
1 68 . 9 1 1 A 8 8 ASN CB C 8 38.190 38.749 -0.559 1
1 70 . 9 1 1 A 9 9 VAL H H 9 8.400 8.518 -0.118 1
1 71 . 9 1 1 A 9 9 VAL HA H 9 3.908 3.794 0.114 1
1 79 . 9 1 1 A 9 9 VAL C C 9 176.738 177.382 -0.644 1
1 80 . 9 1 1 A 9 9 VAL CA C 9 65.550 66.315 -0.765 1
1 81 . 9 1 1 A 9 9 VAL CB C 9 31.970 31.437 0.533 1
1 84 . 9 1 1 A 9 9 VAL N N 9 121.216 125.210 -3.994 1
1 85 . 9 1 1 A 10 10 GLU H H 10 8.596 8.204 0.392 1
1 86 . 9 1 1 A 10 10 GLU HA H 10 4.077 3.914 0.163 1
1 91 . 9 1 1 A 10 10 GLU C C 10 178.985 178.921 0.064 1
1 92 . 9 1 1 A 10 10 GLU CA C 10 59.390 59.451 -0.061 1
1 93 . 9 1 1 A 10 10 GLU CB C 10 29.000 29.134 -0.134 1
1 95 . 9 1 1 A 10 10 GLU N N 10 121.274 120.501 0.773 1
1 96 . 9 1 1 A 11 11 SER H H 11 7.841 7.864 -0.023 1
1 97 . 9 1 1 A 11 11 SER HA H 11 4.138 4.148 -0.010 1
1 100 . 9 1 1 A 11 11 SER C C 11 176.817 176.559 0.258 1
1 101 . 9 1 1 A 11 11 SER CA C 11 60.790 61.139 -0.349 1
1 102 . 9 1 1 A 11 11 SER CB C 11 62.470 62.150 0.320 1
1 103 . 9 1 1 A 11 11 SER N N 11 115.238 114.274 0.964 1
1 104 . 9 1 1 A 12 12 TYR H H 12 7.284 7.589 -0.305 1
1 105 . 9 1 1 A 12 12 TYR HA H 12 4.104 4.353 -0.249 1
1 112 . 9 1 1 A 12 12 TYR C C 12 177.132 178.099 -0.967 1
1 113 . 9 1 1 A 12 12 TYR CA C 12 62.060 61.485 0.575 1
1 114 . 9 1 1 A 12 12 TYR CB C 12 38.710 37.515 1.195 1
1 117 . 9 1 1 A 12 12 TYR N N 12 120.370 119.249 1.121 1
1 118 . 9 1 1 A 13 13 GLU H H 13 8.490 8.343 0.147 1
1 119 . 9 1 1 A 13 13 GLU HA H 13 3.432 3.895 -0.463 1
1 124 . 9 1 1 A 13 13 GLU C C 13 177.303 178.519 -1.216 1
1 125 . 9 1 1 A 13 13 GLU CA C 13 60.660 59.334 1.326 1
1 126 . 9 1 1 A 13 13 GLU CB C 13 29.200 28.718 0.482 1
1 128 . 9 1 1 A 13 13 GLU N N 13 120.162 121.453 -1.291 1
1 129 . 9 1 1 A 14 14 LYS H H 14 7.454 7.760 -0.306 1
1 130 . 9 1 1 A 14 14 LYS HA H 14 3.900 4.061 -0.161 1
1 139 . 9 1 1 A 14 14 LYS C C 14 178.249 178.693 -0.444 1
1 140 . 9 1 1 A 14 14 LYS CA C 14 59.620 59.008 0.612 1
1 141 . 9 1 1 A 14 14 LYS CB C 14 32.420 31.961 0.459 1
1 145 . 9 1 1 A 14 14 LYS N N 14 117.838 118.408 -0.570 1
1 146 . 9 1 1 A 15 15 ILE H H 15 7.409 7.588 -0.179 1
1 147 . 9 1 1 A 15 15 ILE HA H 15 3.822 3.941 -0.119 1
1 157 . 9 1 1 A 15 15 ILE C C 15 179.668 177.971 1.697 1
1 158 . 9 1 1 A 15 15 ILE CA C 15 65.030 63.485 1.545 1
1 159 . 9 1 1 A 15 15 ILE CB C 15 38.950 37.808 1.142 1
1 163 . 9 1 1 A 15 15 ILE N N 15 118.597 120.492 -1.895 1
1 164 . 9 1 1 A 16 16 LEU H H 16 8.407 8.048 0.359 1
1 165 . 9 1 1 A 16 16 LEU HA H 16 3.992 3.933 0.059 1
1 175 . 9 1 1 A 16 16 LEU C C 16 178.512 179.110 -0.598 1
1 176 . 9 1 1 A 16 16 LEU CA C 16 58.230 57.808 0.422 1
1 177 . 9 1 1 A 16 16 LEU CB C 16 42.130 41.264 0.866 1
1 181 . 9 1 1 A 16 16 LEU N N 16 120.642 120.959 -0.317 1
1 182 . 9 1 1 A 17 17 ARG H H 17 8.789 8.092 0.697 1
1 183 . 9 1 1 A 17 17 ARG HA H 17 3.917 4.030 -0.113 1
1 190 . 9 1 1 A 17 17 ARG C C 17 179.602 179.096 0.506 1
1 191 . 9 1 1 A 17 17 ARG CA C 17 60.080 59.387 0.693 1
1 192 . 9 1 1 A 17 17 ARG CB C 17 29.620 30.061 -0.441 1
1 195 . 9 1 1 A 17 17 ARG N N 17 119.196 119.204 -0.008 1
1 196 . 9 1 1 A 18 18 ASP H H 18 8.638 8.203 0.435 1
1 197 . 9 1 1 A 18 18 ASP HA H 18 4.418 4.345 0.073 1
1 200 . 9 1 1 A 18 18 ASP C C 18 179.116 178.525 0.591 1
1 201 . 9 1 1 A 18 18 ASP CA C 18 57.330 57.276 0.054 1
1 202 . 9 1 1 A 18 18 ASP CB C 18 39.700 41.545 -1.845 1
1 203 . 9 1 1 A 18 18 ASP N N 18 121.383 119.770 1.613 1
1 204 . 9 1 1 A 19 19 ARG H H 19 7.947 7.768 0.179 1
1 205 . 9 1 1 A 19 19 ARG HA H 19 4.180 4.076 0.104 1
1 212 . 9 1 1 A 19 19 ARG C C 19 177.855 179.115 -1.260 1
1 213 . 9 1 1 A 19 19 ARG CA C 19 57.680 59.147 -1.467 1
1 214 . 9 1 1 A 19 19 ARG CB C 19 29.540 29.885 -0.345 1
1 217 . 9 1 1 A 19 19 ARG N N 19 121.506 119.266 2.240 1
1 218 . 9 1 1 A 20 20 GLN H H 20 8.691 8.364 0.327 1
1 219 . 9 1 1 A 20 20 GLN HA H 20 3.589 3.982 -0.393 1
1 226 . 9 1 1 A 20 20 GLN C C 20 176.896 177.686 -0.790 1
1 227 . 9 1 1 A 20 20 GLN CA C 20 59.620 58.740 0.880 1
1 228 . 9 1 1 A 20 20 GLN CB C 20 30.020 27.891 2.129 1
1 230 . 9 1 1 A 20 20 GLN N N 20 120.162 118.374 1.788 1
1 232 . 9 1 1 A 21 21 ARG H H 21 7.959 7.575 0.384 1
1 233 . 9 1 1 A 21 21 ARG HA H 21 3.973 4.321 -0.348 1
1 240 . 9 1 1 A 21 21 ARG C C 21 178.985 179.074 -0.089 1
1 241 . 9 1 1 A 21 21 ARG CA C 21 59.800 58.564 1.236 1
1 242 . 9 1 1 A 21 21 ARG CB C 21 29.980 29.905 0.075 1
1 245 . 9 1 1 A 21 21 ARG N N 21 117.219 119.067 -1.848 1
1 246 . 9 1 1 A 22 22 GLU H H 22 7.700 8.200 -0.500 1
1 247 . 9 1 1 A 22 22 GLU HA H 22 4.076 4.092 -0.016 1
1 252 . 9 1 1 A 22 22 GLU C C 22 179.090 178.889 0.201 1
1 253 . 9 1 1 A 22 22 GLU CA C 22 58.950 59.224 -0.274 1
1 254 . 9 1 1 A 22 22 GLU CB C 22 29.580 28.816 0.764 1
1 256 . 9 1 1 A 22 22 GLU N N 22 119.703 118.411 1.292 1
1 257 . 9 1 1 A 23 23 LEU H H 23 8.264 7.811 0.453 1
1 258 . 9 1 1 A 23 23 LEU HA H 23 3.979 3.996 -0.017 1
1 268 . 9 1 1 A 23 23 LEU C C 23 179.234 178.880 0.354 1
1 269 . 9 1 1 A 23 23 LEU CA C 23 57.990 57.969 0.021 1
1 270 . 9 1 1 A 23 23 LEU CB C 23 42.370 41.952 0.418 1
1 274 . 9 1 1 A 23 23 LEU N N 23 119.988 121.809 -1.821 1
1 275 . 9 1 1 A 24 24 TYR H H 24 8.688 8.443 0.245 1
1 276 . 9 1 1 A 24 24 TYR HA H 24 4.084 4.269 -0.185 1
1 283 . 9 1 1 A 24 24 TYR C C 24 178.630 178.831 -0.201 1
1 284 . 9 1 1 A 24 24 TYR CA C 24 61.670 61.670 0.000 1
1 285 . 9 1 1 A 24 24 TYR CB C 24 37.780 37.937 -0.157 1
1 288 . 9 1 1 A 24 24 TYR N N 24 119.101 117.960 1.141 1
1 289 . 9 1 1 A 25 25 ARG H H 25 7.945 8.206 -0.261 1
1 290 . 9 1 1 A 25 25 ARG HA H 25 4.043 4.185 -0.142 1
1 297 . 9 1 1 A 25 25 ARG C C 25 178.683 178.634 0.049 1
1 298 . 9 1 1 A 25 25 ARG CA C 25 59.460 59.263 0.197 1
1 299 . 9 1 1 A 25 25 ARG CB C 25 30.160 30.118 0.042 1
1 302 . 9 1 1 A 25 25 ARG N N 25 118.297 118.491 -0.194 1
1 303 . 9 1 1 A 26 26 ARG H H 26 7.726 7.639 0.087 1
1 304 . 9 1 1 A 26 26 ARG HA H 26 4.067 4.285 -0.218 1
1 311 . 9 1 1 A 26 26 ARG C C 26 177.986 178.457 -0.471 1
1 312 . 9 1 1 A 26 26 ARG CA C 26 58.300 58.879 -0.579 1
1 313 . 9 1 1 A 26 26 ARG CB C 26 30.670 30.140 0.530 1
1 316 . 9 1 1 A 26 26 ARG N N 26 118.100 119.787 -1.687 1
1 317 . 9 1 1 A 27 27 LEU H H 27 7.971 7.945 0.026 1
1 318 . 9 1 1 A 27 27 LEU HA H 27 4.095 4.403 -0.308 1
1 328 . 9 1 1 A 27 27 LEU C C 27 177.461 177.739 -0.278 1
1 329 . 9 1 1 A 27 27 LEU CA C 27 56.260 55.961 0.299 1
1 330 . 9 1 1 A 27 27 LEU CB C 27 42.260 42.327 -0.067 1
1 334 . 9 1 1 A 27 27 LEU N N 27 118.633 116.130 2.503 1
1 335 . 9 1 1 A 28 28 HIS H H 28 7.863 7.957 -0.094 1
1 336 . 9 1 1 A 28 28 HIS HA H 28 4.482 4.960 -0.478 1
1 341 . 9 1 1 A 28 28 HIS C C 28 174.741 175.999 -1.258 1
1 342 . 9 1 1 A 28 28 HIS CA C 28 56.310 55.439 0.871 1
1 343 . 9 1 1 A 28 28 HIS CB C 28 29.300 29.666 -0.366 1
1 346 . 9 1 1 A 28 28 HIS N N 28 116.767 116.963 -0.196 1
1 347 . 9 1 1 A 29 29 LYS H H 29 7.893 8.283 -0.390 1
1 348 . 9 1 1 A 29 29 LYS HA H 29 4.172 4.132 0.040 1
1 357 . 9 1 1 A 29 29 LYS C C 29 176.357 177.677 -1.320 1
1 358 . 9 1 1 A 29 29 LYS CA C 29 56.830 58.883 -2.053 1
1 359 . 9 1 1 A 29 29 LYS CB C 29 32.000 31.792 0.208 1
1 363 . 9 1 1 A 29 29 LYS N N 29 120.331 118.435 1.896 1
1 364 . 9 1 1 A 30 30 ILE H H 30 7.995 7.653 0.342 1
1 365 . 9 1 1 A 30 30 ILE HA H 30 4.085 3.933 0.152 1
1 375 . 9 1 1 A 30 30 ILE C C 30 176.344 177.734 -1.390 1
1 376 . 9 1 1 A 30 30 ILE CA C 30 61.440 63.919 -2.479 1
1 377 . 9 1 1 A 30 30 ILE CB C 30 39.020 37.562 1.458 1
1 381 . 9 1 1 A 30 30 ILE N N 30 120.440 117.498 2.942 1
1 382 . 9 1 1 A 31 31 GLU H H 31 8.367 8.157 0.210 1
1 383 . 9 1 1 A 31 31 GLU HA H 31 4.159 4.388 -0.229 1
1 388 . 9 1 1 A 31 31 GLU C C 31 176.265 175.764 0.501 1
1 389 . 9 1 1 A 31 31 GLU CA C 31 56.890 57.136 -0.246 1
1 390 . 9 1 1 A 31 31 GLU CB C 31 30.050 30.619 -0.569 1
1 392 . 9 1 1 A 31 31 GLU N N 31 124.043 119.565 4.478 1
1 393 . 9 1 1 A 32 32 ALA H H 32 8.138 7.991 0.147 1
1 394 . 9 1 1 A 32 32 ALA HA H 32 4.175 4.549 -0.374 1
1 398 . 9 1 1 A 32 32 ALA C C 32 177.198 177.850 -0.652 1
1 399 . 9 1 1 A 32 32 ALA CA C 32 52.620 51.014 1.606 1
1 400 . 9 1 1 A 32 32 ALA CB C 32 19.490 20.419 -0.929 1
1 401 . 9 1 1 A 32 32 ALA N N 32 124.170 122.915 1.255 1
1 402 . 9 1 1 A 33 33 ASP H H 33 8.157 8.842 -0.685 1
1 403 . 9 1 1 A 33 33 ASP HA H 33 4.467 4.264 0.203 1
1 406 . 9 1 1 A 33 33 ASP C C 33 175.910 176.551 -0.641 1
1 407 . 9 1 1 A 33 33 ASP CA C 33 54.500 56.349 -1.849 1
1 408 . 9 1 1 A 33 33 ASP CB C 33 40.750 39.754 0.996 1
1 409 . 9 1 1 A 33 33 ASP N N 33 118.904 123.937 -5.033 1
1 410 . 9 1 1 A 34 34 PHE H H 34 7.884 7.533 0.351 1
1 411 . 9 1 1 A 34 34 PHE HA H 34 4.514 4.719 -0.205 1
1 418 . 9 1 1 A 34 34 PHE C C 34 175.319 175.715 -0.396 1
1 419 . 9 1 1 A 34 34 PHE CA C 34 57.610 56.666 0.944 1
1 420 . 9 1 1 A 34 34 PHE CB C 34 39.840 37.013 2.827 1
1 423 . 9 1 1 A 34 34 PHE N N 34 119.439 117.652 1.787 1
1 424 . 9 1 1 A 35 35 GLU H H 35 8.084 8.433 -0.349 1
1 425 . 9 1 1 A 35 35 GLU HA H 35 4.190 4.125 0.065 1
1 430 . 9 1 1 A 35 35 GLU C C 35 175.634 177.043 -1.409 1
1 431 . 9 1 1 A 35 35 GLU CA C 35 56.140 59.480 -3.340 1
1 432 . 9 1 1 A 35 35 GLU CB C 35 30.810 30.270 0.540 1
1 434 . 9 1 1 A 35 35 GLU N N 35 122.340 125.672 -3.332 1
1 435 . 9 1 1 A 36 36 GLU H H 36 8.172 7.978 0.194 1
1 436 . 9 1 1 A 36 36 GLU HA H 36 4.442 4.643 -0.201 1
1 441 . 9 1 1 A 36 36 GLU CA C 36 54.300 53.919 0.381 1
1 442 . 9 1 1 A 36 36 GLU CB C 36 29.490 31.146 -1.656 1
1 444 . 9 1 1 A 36 36 GLU N N 36 123.278 119.986 3.292 1
1 445 . 9 1 1 A 37 37 PRO HA H 37 4.339 4.498 -0.159 1
1 452 . 9 1 1 A 37 37 PRO C C 37 175.818 176.324 -0.506 1
1 453 . 9 1 1 A 37 37 PRO CA C 37 62.800 63.195 -0.395 1
1 454 . 9 1 1 A 37 37 PRO CB C 37 31.900 31.549 0.351 1
1 457 . 9 1 1 A 38 38 ARG H H 38 8.412 8.609 -0.197 1
1 458 . 9 1 1 A 38 38 ARG HA H 38 4.255 4.450 -0.195 1
1 465 . 9 1 1 A 38 38 ARG C C 38 175.818 174.707 1.111 1
1 466 . 9 1 1 A 38 38 ARG CA C 38 55.350 55.419 -0.069 1
1 467 . 9 1 1 A 38 38 ARG CB C 38 31.010 28.688 2.322 1
1 470 . 9 1 1 A 38 38 ARG N N 38 121.791 123.229 -1.438 1
1 471 . 9 1 1 A 39 39 ASN H H 39 8.624 8.079 0.545 1
1 472 . 9 1 1 A 39 39 ASN HA H 39 4.906 5.249 -0.343 1
1 477 . 9 1 1 A 39 39 ASN CA C 39 51.100 51.516 -0.416 1
1 478 . 9 1 1 A 39 39 ASN CB C 39 38.560 40.473 -1.913 1
1 479 . 9 1 1 A 39 39 ASN N N 39 121.594 117.001 4.593 1
1 481 . 9 1 1 A 40 40 PRO HA H 40 4.310 4.506 -0.196 1
1 488 . 9 1 1 A 40 40 PRO C C 40 176.896 175.508 1.388 1
1 489 . 9 1 1 A 40 40 PRO CA C 40 63.970 63.872 0.098 1
1 490 . 9 1 1 A 40 40 PRO CB C 40 32.210 31.908 0.302 1
1 493 . 9 1 1 A 41 41 ASP H H 41 8.219 7.702 0.517 1
1 494 . 9 1 1 A 41 41 ASP HA H 41 4.516 4.803 -0.287 1
1 497 . 9 1 1 A 41 41 ASP C C 41 176.252 174.466 1.786 1
1 498 . 9 1 1 A 41 41 ASP CA C 41 54.740 52.874 1.866 1
1 499 . 9 1 1 A 41 41 ASP CB C 41 41.100 44.290 -3.190 1
1 500 . 9 1 1 A 41 41 ASP N N 41 118.818 119.270 -0.452 1
1 501 . 9 1 1 A 42 42 ASP H H 42 7.949 8.997 -1.048 1
1 502 . 9 1 1 A 42 42 ASP HA H 42 4.516 4.586 -0.070 1
1 505 . 9 1 1 A 42 42 ASP C C 42 176.567 176.276 0.291 1
1 506 . 9 1 1 A 42 42 ASP CA C 42 54.910 53.680 1.230 1
1 507 . 9 1 1 A 42 42 ASP CB C 42 41.100 39.550 1.550 1
1 508 . 9 1 1 A 42 42 ASP N N 42 120.104 123.002 -2.898 1
1 509 . 9 1 1 A 43 43 GLU H H 43 8.179 8.056 0.123 1
1 510 . 9 1 1 A 43 43 GLU HA H 43 4.153 4.054 0.099 1
1 515 . 9 1 1 A 43 43 GLU C C 43 176.488 175.903 0.585 1
1 516 . 9 1 1 A 43 43 GLU CA C 43 57.070 58.635 -1.565 1
1 517 . 9 1 1 A 43 43 GLU CB C 43 30.430 30.366 0.064 1
1 519 . 9 1 1 A 43 43 GLU N N 43 121.153 120.634 0.519 1
1 520 . 9 1 1 A 44 44 ASP H H 44 8.325 7.696 0.629 1
1 521 . 9 1 1 A 44 44 ASP HA H 44 4.517 4.311 0.206 1
1 524 . 9 1 1 A 44 44 ASP C C 44 176.462 176.064 0.398 1
1 525 . 9 1 1 A 44 44 ASP CA C 44 54.360 54.829 -0.469 1
1 526 . 9 1 1 A 44 44 ASP CB C 44 41.030 39.098 1.932 1
1 527 . 9 1 1 A 44 44 ASP N N 44 121.100 119.450 1.650 1
1 528 . 9 1 1 A 45 45 ARG H H 45 8.106 7.917 0.189 1
1 529 . 9 1 1 A 45 45 ARG HA H 45 4.252 4.042 0.210 1
1 536 . 9 1 1 A 45 45 ARG C C 45 176.475 175.882 0.593 1
1 537 . 9 1 1 A 45 45 ARG CA C 45 56.000 58.991 -2.991 1
1 538 . 9 1 1 A 45 45 ARG CB C 45 30.360 30.749 -0.389 1
1 541 . 9 1 1 A 45 45 ARG N N 45 121.258 120.516 0.742 1
1 542 . 9 1 1 A 46 46 ALA H H 46 8.235 7.891 0.344 1
1 543 . 9 1 1 A 46 46 ALA HA H 46 4.220 3.881 0.339 1
1 547 . 9 1 1 A 46 46 ALA C C 46 178.196 176.462 1.734 1
1 548 . 9 1 1 A 46 46 ALA CA C 46 53.070 52.951 0.119 1
1 549 . 9 1 1 A 46 46 ALA CB C 46 18.840 17.295 1.545 1
1 550 . 9 1 1 A 46 46 ALA N N 46 124.506 121.109 3.397 1
1 551 . 9 1 1 A 47 47 SER H H 47 8.150 7.822 0.328 1
1 552 . 9 1 1 A 47 47 SER HA H 47 4.331 4.318 0.013 1
1 555 . 9 1 1 A 47 47 SER C C 47 174.727 174.259 0.468 1
1 556 . 9 1 1 A 47 47 SER CA C 47 58.820 60.471 -1.651 1
1 557 . 9 1 1 A 47 47 SER CB C 47 63.520 63.738 -0.218 1
1 558 . 9 1 1 A 47 47 SER N N 47 114.398 111.984 2.414 1
1 559 . 9 1 1 A 48 48 GLU H H 48 8.235 8.705 -0.470 1
1 560 . 9 1 1 A 48 48 GLU HA H 48 4.244 4.305 -0.061 1
1 565 . 9 1 1 A 48 48 GLU C C 48 176.396 177.013 -0.617 1
1 566 . 9 1 1 A 48 48 GLU CA C 48 56.550 56.250 0.300 1
1 567 . 9 1 1 A 48 48 GLU CB C 48 30.330 30.464 -0.134 1
1 569 . 9 1 1 A 48 48 GLU N N 48 122.340 125.852 -3.512 1
1 570 . 9 1 1 A 49 49 ARG H H 49 8.174 8.775 -0.601 1
1 571 . 9 1 1 A 49 49 ARG HA H 49 4.339 3.813 0.526 1
1 578 . 9 1 1 A 49 49 ARG C C 49 176.344 175.327 1.017 1
1 579 . 9 1 1 A 49 49 ARG CA C 49 55.900 56.632 -0.732 1
1 580 . 9 1 1 A 49 49 ARG CB C 49 30.980 28.489 2.491 1
1 583 . 9 1 1 A 49 49 ARG N N 49 121.431 120.501 0.930 1
1 584 . 9 1 1 A 50 50 SER H H 50 8.389 7.803 0.586 1
1 585 . 9 1 1 A 50 50 SER HA H 50 4.392 4.240 0.152 1
1 588 . 9 1 1 A 50 50 SER C C 50 174.517 173.942 0.575 1
1 589 . 9 1 1 A 50 50 SER CA C 50 58.230 59.156 -0.926 1
1 590 . 9 1 1 A 50 50 SER CB C 50 64.010 63.796 0.214 1
1 591 . 9 1 1 A 50 50 SER N N 50 117.321 113.975 3.346 1
1 592 . 9 1 1 A 51 51 ASN H H 51 8.488 8.450 0.038 1
1 593 . 9 1 1 A 51 51 ASN HA H 51 4.657 4.618 0.039 1
1 598 . 9 1 1 A 51 51 ASN C C 51 175.122 175.568 -0.446 1
1 599 . 9 1 1 A 51 51 ASN CA C 51 53.780 53.718 0.062 1
1 600 . 9 1 1 A 51 51 ASN CB C 51 38.770 38.361 0.409 1
1 601 . 9 1 1 A 51 51 ASN N N 51 120.903 122.956 -2.053 1
1 603 . 9 1 1 A 52 52 ASP H H 52 8.231 9.025 -0.794 1
1 604 . 9 1 1 A 52 52 ASP HA H 52 4.517 4.530 -0.013 1
1 607 . 9 1 1 A 52 52 ASP C C 52 176.291 176.528 -0.237 1
1 608 . 9 1 1 A 52 52 ASP CA C 52 54.500 57.066 -2.566 1
1 609 . 9 1 1 A 52 52 ASP CB C 52 41.170 41.066 0.104 1
1 610 . 9 1 1 A 52 52 ASP N N 52 120.236 125.279 -5.043 1
1 611 . 9 1 1 A 53 53 GLU H H 53 8.139 7.538 0.601 1
1 612 . 9 1 1 A 53 53 GLU HA H 53 4.194 4.484 -0.290 1
1 617 . 9 1 1 A 53 53 GLU C C 53 176.606 176.745 -0.139 1
1 618 . 9 1 1 A 53 53 GLU CA C 53 56.930 56.277 0.653 1
1 619 . 9 1 1 A 53 53 GLU CB C 53 30.500 30.206 0.294 1
1 621 . 9 1 1 A 53 53 GLU N N 53 120.655 118.848 1.807 1
1 622 . 9 1 1 A 54 54 VAL H H 54 8.061 8.922 -0.861 1
1 623 . 9 1 1 A 54 54 VAL HA H 54 3.978 4.019 -0.041 1
1 631 . 9 1 1 A 54 54 VAL C C 54 176.278 176.585 -0.307 1
1 632 . 9 1 1 A 54 54 VAL CA C 54 62.880 65.560 -2.680 1
1 633 . 9 1 1 A 54 54 VAL CB C 54 32.660 32.318 0.342 1
1 636 . 9 1 1 A 54 54 VAL N N 54 121.320 126.389 -5.069 1
1 637 . 9 1 1 A 55 55 LEU H H 55 8.209 8.010 0.199 1
1 638 . 9 1 1 A 55 55 LEU HA H 55 4.273 4.366 -0.093 1
1 648 . 9 1 1 A 55 55 LEU C C 55 177.355 176.505 0.850 1
1 649 . 9 1 1 A 55 55 LEU CA C 55 55.290 55.446 -0.156 1
1 650 . 9 1 1 A 55 55 LEU CB C 55 42.190 40.975 1.215 1
1 654 . 9 1 1 A 55 55 LEU N N 55 125.139 121.765 3.374 1
1 655 . 9 1 1 A 56 56 ASP H H 56 8.204 8.957 -0.753 1
1 656 . 9 1 1 A 56 56 ASP HA H 56 4.516 4.426 0.090 1
1 659 . 9 1 1 A 56 56 ASP C C 56 176.633 177.233 -0.600 1
1 660 . 9 1 1 A 56 56 ASP CA C 56 54.360 56.283 -1.923 1
1 661 . 9 1 1 A 56 56 ASP CB C 56 41.070 40.811 0.259 1
1 662 . 9 1 1 A 56 56 ASP N N 56 121.154 126.852 -5.698 1
1 663 . 9 1 1 A 57 57 GLU H H 57 8.316 7.960 0.356 1
1 664 . 9 1 1 A 57 57 GLU HA H 57 4.164 4.401 -0.237 1
1 669 . 9 1 1 A 57 57 GLU C C 57 177.158 176.009 1.149 1
1 670 . 9 1 1 A 57 57 GLU CA C 57 57.650 56.519 1.131 1
1 671 . 9 1 1 A 57 57 GLU CB C 57 30.020 30.116 -0.096 1
1 673 . 9 1 1 A 57 57 GLU N N 57 120.771 116.672 4.099 1
1 674 . 9 1 1 A 58 58 LEU H H 58 8.204 7.458 0.746 1
1 675 . 9 1 1 A 58 58 LEU HA H 58 4.231 4.484 -0.253 1
1 685 . 9 1 1 A 58 58 LEU C C 58 178.538 177.521 1.017 1
1 686 . 9 1 1 A 58 58 LEU CA C 58 55.690 53.972 1.718 1
1 687 . 9 1 1 A 58 58 LEU CB C 58 42.230 43.231 -1.001 1
1 691 . 9 1 1 A 58 58 LEU N N 58 120.716 122.056 -1.340 1
1 692 . 9 1 1 A 59 59 GLY H H 59 8.212 8.460 -0.248 1
1 693 . 9 1 1 A 59 59 GLY HA2 H 59 3.917 4.095 -0.178 1
1 694 . 9 1 1 A 59 59 GLY HA3 H 59 3.917 4.098 -0.181 1
1 695 . 9 1 1 A 59 59 GLY C C 59 174.294 175.310 -1.016 1
1 696 . 9 1 1 A 59 59 GLY CA C 59 45.550 45.086 0.464 1
1 697 . 9 1 1 A 59 59 GLY N N 59 108.670 108.734 -0.064 1
1 698 . 9 1 1 A 60 60 GLN H H 60 8.310 8.690 -0.380 1
1 699 . 9 1 1 A 60 60 GLN HA H 60 4.079 3.870 0.209 1
1 706 . 9 1 1 A 60 60 GLN C C 60 177.171 177.388 -0.217 1
1 707 . 9 1 1 A 60 60 GLN CA C 60 57.590 58.727 -1.137 1
1 708 . 9 1 1 A 60 60 GLN CB C 60 28.960 28.484 0.476 1
1 710 . 9 1 1 A 60 60 GLN N N 60 120.662 121.115 -0.453 1
1 712 . 9 1 1 A 61 61 VAL H H 61 8.136 8.191 -0.055 1
1 713 . 9 1 1 A 61 61 VAL HA H 61 3.971 3.762 0.209 1
1 721 . 9 1 1 A 61 61 VAL C C 61 178.262 177.741 0.521 1
1 722 . 9 1 1 A 61 61 VAL CA C 61 64.420 66.251 -1.831 1
1 723 . 9 1 1 A 61 61 VAL CB C 61 32.110 31.048 1.062 1
1 726 . 9 1 1 A 61 61 VAL N N 61 119.154 118.972 0.182 1
1 727 . 9 1 1 A 62 62 GLY H H 62 8.183 8.259 -0.076 1
1 728 . 9 1 1 A 62 62 GLY HA2 H 62 3.966 3.702 0.264 1
1 729 . 9 1 1 A 62 62 GLY HA3 H 62 3.783 3.714 0.069 1
1 730 . 9 1 1 A 62 62 GLY C C 62 174.872 175.829 -0.957 1
1 731 . 9 1 1 A 62 62 GLY CA C 62 46.780 47.079 -0.299 1
1 732 . 9 1 1 A 62 62 GLY N N 62 110.813 108.715 2.098 1
1 733 . 9 1 1 A 63 63 GLN H H 63 8.235 7.977 0.258 1
1 734 . 9 1 1 A 63 63 GLN HA H 63 3.966 3.948 0.018 1
1 741 . 9 1 1 A 63 63 GLN C C 63 178.170 178.045 0.125 1
1 742 . 9 1 1 A 63 63 GLN CA C 63 58.990 58.677 0.313 1
1 743 . 9 1 1 A 63 63 GLN CB C 63 28.500 28.276 0.224 1
1 745 . 9 1 1 A 63 63 GLN N N 63 120.667 121.249 -0.582 1
1 747 . 9 1 1 A 64 64 ASP H H 64 8.386 8.320 0.066 1
1 748 . 9 1 1 A 64 64 ASP HA H 64 4.347 4.318 0.029 1
1 751 . 9 1 1 A 64 64 ASP C C 64 178.669 178.902 -0.233 1
1 752 . 9 1 1 A 64 64 ASP CA C 64 56.860 57.447 -0.587 1
1 753 . 9 1 1 A 64 64 ASP CB C 64 39.970 41.721 -1.751 1
1 754 . 9 1 1 A 64 64 ASP N N 64 120.058 119.417 0.641 1
1 755 . 9 1 1 A 65 65 GLU H H 65 7.992 8.012 -0.020 1
1 756 . 9 1 1 A 65 65 GLU HA H 65 3.542 4.134 -0.592 1
1 761 . 9 1 1 A 65 65 GLU C C 65 177.842 178.586 -0.744 1
1 762 . 9 1 1 A 65 65 GLU CA C 65 59.560 58.756 0.804 1
1 763 . 9 1 1 A 65 65 GLU CB C 65 29.100 29.301 -0.201 1
1 765 . 9 1 1 A 65 65 GLU N N 65 123.846 119.477 4.369 1
1 766 . 9 1 1 A 66 66 LEU H H 66 8.100 8.066 0.034 1
1 767 . 9 1 1 A 66 66 LEU HA H 66 3.783 3.850 -0.067 1
1 777 . 9 1 1 A 66 66 LEU C C 66 178.893 178.189 0.704 1
1 778 . 9 1 1 A 66 66 LEU CA C 66 58.610 58.008 0.602 1
1 779 . 9 1 1 A 66 66 LEU CB C 66 41.510 41.641 -0.131 1
1 783 . 9 1 1 A 66 66 LEU N N 66 119.444 121.333 -1.889 1
1 784 . 9 1 1 A 67 67 ARG H H 67 7.870 7.976 -0.106 1
1 785 . 9 1 1 A 67 67 ARG HA H 67 4.095 4.013 0.082 1
1 792 . 9 1 1 A 67 67 ARG C C 67 179.484 178.229 1.255 1
1 793 . 9 1 1 A 67 67 ARG CA C 67 59.490 59.265 0.225 1
1 794 . 9 1 1 A 67 67 ARG CB C 67 30.230 29.503 0.727 1
1 797 . 9 1 1 A 67 67 ARG N N 67 118.088 119.059 -0.971 1
1 798 . 9 1 1 A 68 68 ALA H H 68 7.820 7.886 -0.066 1
1 799 . 9 1 1 A 68 68 ALA HA H 68 4.188 4.062 0.126 1
1 803 . 9 1 1 A 68 68 ALA C C 68 181.626 179.896 1.730 1
1 804 . 9 1 1 A 68 68 ALA CA C 68 54.840 55.109 -0.269 1
1 805 . 9 1 1 A 68 68 ALA CB C 68 18.400 18.502 -0.102 1
1 806 . 9 1 1 A 68 68 ALA N N 68 123.318 122.409 0.909 1
1 807 . 9 1 1 A 69 69 ILE H H 69 8.643 7.966 0.677 1
1 808 . 9 1 1 A 69 69 ILE HA H 69 3.539 3.570 -0.031 1
1 818 . 9 1 1 A 69 69 ILE C C 69 177.290 177.761 -0.471 1
1 819 . 9 1 1 A 69 69 ILE CA C 69 66.370 65.606 0.764 1
1 820 . 9 1 1 A 69 69 ILE CB C 69 38.090 37.732 0.358 1
1 824 . 9 1 1 A 69 69 ILE N N 69 122.954 118.799 4.155 1
1 825 . 9 1 1 A 70 70 ASP H H 70 8.415 8.334 0.081 1
1 826 . 9 1 1 A 70 70 ASP HA H 70 4.336 4.374 -0.038 1
1 829 . 9 1 1 A 70 70 ASP C C 70 179.786 178.230 1.556 1
1 830 . 9 1 1 A 70 70 ASP CA C 70 58.130 57.577 0.553 1
1 831 . 9 1 1 A 70 70 ASP CB C 70 40.310 41.237 -0.927 1
1 832 . 9 1 1 A 70 70 ASP N N 70 121.571 120.633 0.938 1
1 833 . 9 1 1 A 71 71 ALA H H 71 7.869 8.033 -0.164 1
1 834 . 9 1 1 A 71 71 ALA HA H 71 4.215 4.179 0.036 1
1 838 . 9 1 1 A 71 71 ALA C C 71 180.246 179.686 0.560 1
1 839 . 9 1 1 A 71 71 ALA CA C 71 54.500 54.756 -0.256 1
1 840 . 9 1 1 A 71 71 ALA CB C 71 17.680 18.199 -0.519 1
1 841 . 9 1 1 A 71 71 ALA N N 71 121.459 120.863 0.596 1
1 842 . 9 1 1 A 72 72 ALA H H 72 8.263 7.876 0.387 1
1 843 . 9 1 1 A 72 72 ALA HA H 72 4.045 4.244 -0.199 1
1 847 . 9 1 1 A 72 72 ALA C C 72 179.668 180.148 -0.480 1
1 848 . 9 1 1 A 72 72 ALA CA C 72 55.560 55.157 0.403 1
1 849 . 9 1 1 A 72 72 ALA CB C 72 19.870 18.094 1.776 1
1 850 . 9 1 1 A 72 72 ALA N N 72 123.378 120.927 2.451 1
1 851 . 9 1 1 A 73 73 LEU H H 73 8.790 8.312 0.478 1
1 852 . 9 1 1 A 73 73 LEU HA H 73 3.920 4.001 -0.081 1
1 862 . 9 1 1 A 73 73 LEU C C 73 180.286 179.429 0.857 1
1 863 . 9 1 1 A 73 73 LEU CA C 73 58.130 57.968 0.162 1
1 864 . 9 1 1 A 73 73 LEU CB C 73 41.200 40.979 0.221 1
1 868 . 9 1 1 A 73 73 LEU N N 73 119.015 119.513 -0.498 1
1 869 . 9 1 1 A 74 74 ALA H H 74 7.931 8.166 -0.235 1
1 870 . 9 1 1 A 74 74 ALA HA H 74 4.273 4.039 0.234 1
1 874 . 9 1 1 A 74 74 ALA C C 74 180.811 179.404 1.407 1
1 875 . 9 1 1 A 74 74 ALA CA C 74 54.960 54.817 0.143 1
1 876 . 9 1 1 A 74 74 ALA CB C 74 17.690 18.076 -0.386 1
1 877 . 9 1 1 A 74 74 ALA N N 74 124.135 122.138 1.997 1
1 878 . 9 1 1 A 75 75 ARG H H 75 7.898 7.605 0.293 1
1 879 . 9 1 1 A 75 75 ARG HA H 75 4.138 4.118 0.020 1
1 886 . 9 1 1 A 75 75 ARG C C 75 179.721 178.931 0.790 1
1 887 . 9 1 1 A 75 75 ARG CA C 75 60.170 58.950 1.220 1
1 888 . 9 1 1 A 75 75 ARG CB C 75 29.970 30.059 -0.089 1
1 891 . 9 1 1 A 75 75 ARG N N 75 120.143 117.093 3.050 1
1 892 . 9 1 1 A 76 76 ILE H H 76 8.061 8.091 -0.030 1
1 893 . 9 1 1 A 76 76 ILE HA H 76 3.697 3.746 -0.049 1
1 903 . 9 1 1 A 76 76 ILE C C 76 179.392 177.695 1.697 1
1 904 . 9 1 1 A 76 76 ILE CA C 76 66.060 65.459 0.601 1
1 905 . 9 1 1 A 76 76 ILE CB C 76 37.240 37.794 -0.554 1
1 909 . 9 1 1 A 76 76 ILE N N 76 121.537 121.497 0.040 1
1 910 . 9 1 1 A 77 77 ALA H H 77 7.735 8.289 -0.554 1
1 911 . 9 1 1 A 77 77 ALA HA H 77 4.132 4.120 0.012 1
1 915 . 9 1 1 A 77 77 ALA C C 77 179.326 179.911 -0.585 1
1 916 . 9 1 1 A 77 77 ALA CA C 77 54.910 55.296 -0.386 1
1 917 . 9 1 1 A 77 77 ALA CB C 77 17.950 17.944 0.006 1
1 918 . 9 1 1 A 77 77 ALA N N 77 122.664 122.882 -0.218 1
1 919 . 9 1 1 A 78 78 SER H H 78 7.999 7.627 0.372 1
1 920 . 9 1 1 A 78 78 SER HA H 78 4.472 4.553 -0.081 1
1 923 . 9 1 1 A 78 78 SER C C 78 174.675 174.764 -0.089 1
1 924 . 9 1 1 A 78 78 SER CA C 78 59.260 58.326 0.934 1
1 925 . 9 1 1 A 78 78 SER CB C 78 64.070 63.730 0.340 1
1 926 . 9 1 1 A 78 78 SER N N 78 111.061 110.812 0.249 1
1 927 . 9 1 1 A 79 79 GLY H H 79 7.844 7.675 0.169 1
1 928 . 9 1 1 A 79 79 GLY HA2 H 79 4.233 4.020 0.213 1
1 929 . 9 1 1 A 79 79 GLY HA3 H 79 4.087 4.036 0.051 1
1 930 . 9 1 1 A 79 79 GLY C C 79 175.687 174.207 1.480 1
1 931 . 9 1 1 A 79 79 GLY CA C 79 46.470 46.334 0.136 1
1 932 . 9 1 1 A 79 79 GLY N N 79 109.909 109.686 0.223 1
1 933 . 9 1 1 A 80 80 THR H H 80 8.408 8.012 0.396 1
1 934 . 9 1 1 A 80 80 THR HA H 80 4.504 4.643 -0.139 1
1 939 . 9 1 1 A 80 80 THR C C 80 174.793 173.820 0.973 1
1 940 . 9 1 1 A 80 80 THR CA C 80 60.280 60.939 -0.659 1
1 941 . 9 1 1 A 80 80 THR CB C 80 69.000 69.745 -0.745 1
1 943 . 9 1 1 A 80 80 THR N N 80 109.416 114.449 -5.033 1
1 944 . 9 1 1 A 81 81 PHE H H 81 7.610 7.404 0.206 1
1 945 . 9 1 1 A 81 81 PHE HA H 81 3.944 4.265 -0.321 1
1 950 . 9 1 1 A 81 81 PHE C C 81 176.462 176.883 -0.421 1
1 951 . 9 1 1 A 81 81 PHE CA C 81 59.940 59.904 0.036 1
1 952 . 9 1 1 A 81 81 PHE CB C 81 39.700 38.770 0.930 1
1 954 . 9 1 1 A 81 81 PHE N N 81 123.672 123.555 0.117 1
1 955 . 9 1 1 A 82 82 GLY H H 82 8.827 8.098 0.729 1
1 956 . 9 1 1 A 82 82 GLY HA2 H 82 4.000 3.428 0.572 1
1 957 . 9 1 1 A 82 82 GLY HA3 H 82 2.606 3.636 -1.030 1
1 958 . 9 1 1 A 82 82 GLY C C 82 172.388 173.926 -1.538 1
1 959 . 9 1 1 A 82 82 GLY CA C 82 44.590 46.316 -1.726 1
1 960 . 9 1 1 A 82 82 GLY N N 82 115.493 113.765 1.728 1
1 961 . 9 1 1 A 83 83 THR H H 83 7.265 7.462 -0.197 1
1 962 . 9 1 1 A 83 83 THR HA H 83 4.418 4.725 -0.307 1
1 967 . 9 1 1 A 83 83 THR C C 83 173.808 172.589 1.219 1
1 968 . 9 1 1 A 83 83 THR CA C 83 61.180 61.109 0.071 1
1 969 . 9 1 1 A 83 83 THR CB C 83 70.020 71.743 -1.723 1
1 971 . 9 1 1 A 83 83 THR N N 83 115.366 113.764 1.602 1
1 972 . 9 1 1 A 84 84 CYS H H 84 9.410 8.733 0.677 1
1 973 . 9 1 1 A 84 84 CYS HA H 84 4.339 4.938 -0.599 1
1 976 . 9 1 1 A 84 84 CYS C C 84 177.986 175.592 2.394 1
1 977 . 9 1 1 A 84 84 CYS CA C 84 60.080 57.164 2.916 1
1 978 . 9 1 1 A 84 84 CYS CB C 84 30.630 29.100 1.530 1
1 979 . 9 1 1 A 84 84 CYS N N 84 131.144 124.001 7.143 1
1 980 . 9 1 1 A 85 85 VAL H H 85 8.461 8.773 -0.312 1
1 981 . 9 1 1 A 85 85 VAL HA H 85 3.918 3.779 0.139 1
1 989 . 9 1 1 A 85 85 VAL C C 85 175.608 177.610 -2.002 1
1 990 . 9 1 1 A 85 85 VAL CA C 85 64.080 65.123 -1.043 1
1 991 . 9 1 1 A 85 85 VAL CB C 85 31.730 31.386 0.344 1
1 994 . 9 1 1 A 85 85 VAL N N 85 126.221 125.350 0.871 1
1 995 . 9 1 1 A 86 86 LYS H H 86 8.924 8.142 0.782 1
1 996 . 9 1 1 A 86 86 LYS HA H 86 4.496 4.135 0.361 1
1 1005 . 9 1 1 A 86 86 LYS C C 86 177.277 177.621 -0.344 1
1 1006 . 9 1 1 A 86 86 LYS CA C 86 58.500 58.379 0.121 1
1 1007 . 9 1 1 A 86 86 LYS CB C 86 33.780 32.327 1.453 1
1 1011 . 9 1 1 A 86 86 LYS N N 86 123.551 121.860 1.691 1
1 1012 . 9 1 1 A 87 87 CYS H H 87 8.264 7.443 0.821 1
1 1013 . 9 1 1 A 87 87 CYS HA H 87 4.925 4.634 0.291 1
1 1016 . 9 1 1 A 87 87 CYS C C 87 177.211 175.637 1.574 1
1 1017 . 9 1 1 A 87 87 CYS CA C 87 58.980 58.464 0.516 1
1 1018 . 9 1 1 A 87 87 CYS CB C 87 33.100 29.649 3.451 1
1 1019 . 9 1 1 A 87 87 CYS N N 87 117.502 114.868 2.634 1
1 1020 . 9 1 1 A 88 88 GLY H H 88 7.655 8.043 -0.388 1
1 1021 . 9 1 1 A 88 88 GLY HA2 H 88 4.159 3.947 0.212 1
1 1022 . 9 1 1 A 88 88 GLY HA3 H 88 3.729 3.951 -0.222 1
1 1023 . 9 1 1 A 88 88 GLY C C 88 173.558 173.914 -0.356 1
1 1024 . 9 1 1 A 88 88 GLY CA C 88 46.300 46.283 0.017 1
1 1025 . 9 1 1 A 88 88 GLY N N 88 111.948 111.758 0.190 1
1 1026 . 9 1 1 A 89 89 LYS H H 89 8.721 7.511 1.210 1
1 1027 . 9 1 1 A 89 89 LYS HA H 89 4.315 4.804 -0.489 1
1 1036 . 9 1 1 A 89 89 LYS C C 89 176.659 175.341 1.318 1
1 1037 . 9 1 1 A 89 89 LYS CA C 89 56.860 54.000 2.860 1
1 1038 . 9 1 1 A 89 89 LYS CB C 89 33.540 35.621 -2.081 1
1 1042 . 9 1 1 A 89 89 LYS N N 89 123.614 119.256 4.358 1
1 1043 . 9 1 1 A 90 90 ARG H H 90 8.415 8.434 -0.019 1
1 1044 . 9 1 1 A 90 90 ARG HA H 90 4.299 4.453 -0.154 1
1 1051 . 9 1 1 A 90 90 ARG C C 90 176.041 176.560 -0.519 1
1 1052 . 9 1 1 A 90 90 ARG CA C 90 56.030 56.616 -0.586 1
1 1053 . 9 1 1 A 90 90 ARG CB C 90 29.470 30.856 -1.386 1
1 1056 . 9 1 1 A 90 90 ARG N N 90 121.880 121.712 0.168 1
1 1057 . 9 1 1 A 91 91 ILE H H 91 8.334 8.532 -0.198 1
1 1058 . 9 1 1 A 91 91 ILE HA H 91 3.668 4.103 -0.435 1
1 1068 . 9 1 1 A 91 91 ILE C C 91 175.003 176.555 -1.552 1
1 1069 . 9 1 1 A 91 91 ILE CA C 91 61.810 61.408 0.402 1
1 1070 . 9 1 1 A 91 91 ILE CB C 91 38.920 38.064 0.856 1
1 1074 . 9 1 1 A 91 91 ILE N N 91 128.410 125.484 2.926 1
1 1075 . 9 1 1 A 92 92 SER H H 92 8.551 8.763 -0.212 1
1 1076 . 9 1 1 A 92 92 SER HA H 92 4.180 4.451 -0.271 1
1 1079 . 9 1 1 A 92 92 SER C C 92 175.108 175.129 -0.021 1
1 1080 . 9 1 1 A 92 92 SER CA C 92 58.460 58.879 -0.419 1
1 1081 . 9 1 1 A 92 92 SER CB C 92 64.180 63.586 0.594 1
1 1082 . 9 1 1 A 92 92 SER N N 92 124.170 120.435 3.735 1
1 1083 . 9 1 1 A 93 93 GLU H H 93 8.912 8.892 0.020 1
1 1084 . 9 1 1 A 93 93 GLU HA H 93 3.939 3.989 -0.050 1
1 1089 . 9 1 1 A 93 93 GLU C C 93 178.144 177.956 0.188 1
1 1090 . 9 1 1 A 93 93 GLU CA C 93 60.080 59.087 0.993 1
1 1091 . 9 1 1 A 93 93 GLU CB C 93 29.960 29.516 0.444 1
1 1093 . 9 1 1 A 93 93 GLU N N 93 123.996 124.691 -0.695 1
1 1094 . 9 1 1 A 94 94 ASP H H 94 8.311 8.352 -0.041 1
1 1095 . 9 1 1 A 94 94 ASP HA H 94 4.252 4.475 -0.223 1
1 1098 . 9 1 1 A 94 94 ASP C C 94 178.472 178.401 0.071 1
1 1099 . 9 1 1 A 94 94 ASP CA C 94 57.240 56.183 1.057 1
1 1100 . 9 1 1 A 94 94 ASP CB C 94 40.420 40.135 0.285 1
1 1101 . 9 1 1 A 94 94 ASP N N 94 116.432 120.411 -3.979 1
1 1102 . 9 1 1 A 95 95 ARG H H 95 7.365 7.970 -0.605 1
1 1103 . 9 1 1 A 95 95 ARG HA H 95 4.067 4.124 -0.057 1
1 1110 . 9 1 1 A 95 95 ARG C C 95 177.237 178.510 -1.273 1
1 1111 . 9 1 1 A 95 95 ARG CA C 95 58.870 58.179 0.691 1
1 1112 . 9 1 1 A 95 95 ARG CB C 95 29.100 29.846 -0.746 1
1 1115 . 9 1 1 A 95 95 ARG N N 95 121.517 120.746 0.771 1
1 1116 . 9 1 1 A 96 96 LEU H H 96 7.831 7.939 -0.108 1
1 1117 . 9 1 1 A 96 96 LEU HA H 96 3.735 3.864 -0.129 1
1 1127 . 9 1 1 A 96 96 LEU C C 96 177.855 179.564 -1.709 1
1 1128 . 9 1 1 A 96 96 LEU CA C 96 56.930 57.332 -0.402 1
1 1129 . 9 1 1 A 96 96 LEU CB C 96 41.300 41.209 0.091 1
1 1133 . 9 1 1 A 96 96 LEU N N 96 119.073 119.487 -0.414 1
1 1134 . 9 1 1 A 97 97 LYS H H 97 8.098 8.416 -0.318 1
1 1135 . 9 1 1 A 97 97 LYS HA H 97 4.014 4.197 -0.183 1
1 1144 . 9 1 1 A 97 97 LYS C C 97 178.433 178.605 -0.172 1
1 1145 . 9 1 1 A 97 97 LYS CA C 97 59.080 59.033 0.047 1
1 1146 . 9 1 1 A 97 97 LYS CB C 97 32.830 31.909 0.921 1
1 1150 . 9 1 1 A 97 97 LYS N N 97 114.647 118.569 -3.922 1
1 1151 . 9 1 1 A 98 98 ALA H H 98 7.011 7.228 -0.217 1
1 1152 . 9 1 1 A 98 98 ALA HA H 98 4.196 4.196 0.000 1
1 1156 . 9 1 1 A 98 98 ALA C C 98 178.814 177.959 0.855 1
1 1157 . 9 1 1 A 98 98 ALA CA C 98 54.480 53.982 0.498 1
1 1158 . 9 1 1 A 98 98 ALA CB C 98 19.380 19.501 -0.121 1
1 1159 . 9 1 1 A 98 98 ALA N N 98 119.536 120.529 -0.993 1
1 1160 . 9 1 1 A 99 99 VAL H H 99 8.133 7.520 0.613 1
1 1161 . 9 1 1 A 99 99 VAL HA H 99 4.098 4.195 -0.097 1
1 1169 . 9 1 1 A 99 99 VAL CA C 99 58.260 59.409 -1.149 1
1 1170 . 9 1 1 A 99 99 VAL CB C 99 32.530 32.579 -0.049 1
1 1173 . 9 1 1 A 99 99 VAL N N 99 114.735 115.138 -0.403 1
1 1174 . 9 1 1 A 100 100 PRO HA H 100 4.761 4.354 0.407 1
1 1181 . 9 1 1 A 100 100 PRO C C 100 175.437 176.978 -1.541 1
1 1182 . 9 1 1 A 100 100 PRO CA C 100 65.370 63.761 1.609 1
1 1183 . 9 1 1 A 100 100 PRO CB C 100 31.190 32.102 -0.912 1
1 1186 . 9 1 1 A 101 101 TYR H H 101 6.053 7.673 -1.620 1
1 1187 . 9 1 1 A 101 101 TYR HA H 101 4.463 4.620 -0.157 1
1 1194 . 9 1 1 A 101 101 TYR C C 101 175.871 175.967 -0.096 1
1 1195 . 9 1 1 A 101 101 TYR CA C 101 53.920 57.049 -3.129 1
1 1196 . 9 1 1 A 101 101 TYR CB C 101 38.230 39.460 -1.230 1
1 1199 . 9 1 1 A 101 101 TYR N N 101 108.211 115.616 -7.405 1
1 1200 . 9 1 1 A 102 102 THR H H 102 7.466 7.404 0.062 1
1 1201 . 9 1 1 A 102 102 THR HA H 102 4.384 4.454 -0.070 1
1 1206 . 9 1 1 A 102 102 THR CA C 102 60.030 59.119 0.911 1
1 1207 . 9 1 1 A 102 102 THR CB C 102 69.600 69.622 -0.022 1
1 1209 . 9 1 1 A 102 102 THR N N 102 120.556 115.818 4.738 1
1 1210 . 9 1 1 A 103 103 PRO HA H 103 4.244 4.292 -0.048 1
1 1217 . 9 1 1 A 103 103 PRO C C 103 176.344 175.597 0.747 1
1 1218 . 9 1 1 A 103 103 PRO CA C 103 62.400 63.671 -1.271 1
1 1219 . 9 1 1 A 103 103 PRO CB C 103 32.250 31.308 0.942 1
1 1222 . 9 1 1 A 104 104 PHE H H 104 7.365 7.200 0.165 1
1 1223 . 9 1 1 A 104 104 PHE HA H 104 6.207 5.175 1.032 1
1 1230 . 9 1 1 A 104 104 PHE C C 104 176.133 175.453 0.680 1
1 1231 . 9 1 1 A 104 104 PHE CA C 104 55.220 56.303 -1.083 1
1 1232 . 9 1 1 A 104 104 PHE CB C 104 44.480 43.462 1.018 1
1 1235 . 9 1 1 A 104 104 PHE N N 104 115.933 118.168 -2.235 1
1 1236 . 9 1 1 A 105 105 CYS H H 105 9.248 9.000 0.248 1
1 1237 . 9 1 1 A 105 105 CYS HA H 105 4.638 4.748 -0.110 1
1 1240 . 9 1 1 A 105 105 CYS C C 105 174.254 175.722 -1.468 1
1 1241 . 9 1 1 A 105 105 CYS CA C 105 58.060 57.668 0.392 1
1 1242 . 9 1 1 A 105 105 CYS CB C 105 31.250 30.311 0.939 1
1 1243 . 9 1 1 A 105 105 CYS N N 105 118.999 119.600 -0.601 1
1 1244 . 9 1 1 A 106 106 GLN H H 106 8.865 8.918 -0.053 1
1 1245 . 9 1 1 A 106 106 GLN HA H 106 3.611 3.969 -0.358 1
1 1252 . 9 1 1 A 106 106 GLN C C 106 177.250 177.623 -0.373 1
1 1253 . 9 1 1 A 106 106 GLN CA C 106 59.430 59.223 0.207 1
1 1254 . 9 1 1 A 106 106 GLN CB C 106 28.750 28.601 0.149 1
1 1256 . 9 1 1 A 106 106 GLN N N 106 119.606 122.200 -2.594 1
1 1258 . 9 1 1 A 107 107 GLU H H 107 8.134 8.581 -0.447 1
1 1259 . 9 1 1 A 107 107 GLU HA H 107 3.959 4.100 -0.141 1
1 1264 . 9 1 1 A 107 107 GLU C C 107 179.616 179.462 0.154 1
1 1265 . 9 1 1 A 107 107 GLU CA C 107 60.110 59.069 1.041 1
1 1266 . 9 1 1 A 107 107 GLU CB C 107 29.990 29.142 0.848 1
1 1268 . 9 1 1 A 107 107 GLU N N 107 119.554 118.890 0.664 1
1 1269 . 9 1 1 A 108 108 CYS H H 108 8.681 8.198 0.483 1
1 1270 . 9 1 1 A 108 108 CYS HA H 108 3.783 4.345 -0.562 1
1 1273 . 9 1 1 A 108 108 CYS C C 108 177.868 176.473 1.395 1
1 1274 . 9 1 1 A 108 108 CYS CA C 108 64.110 62.390 1.720 1
1 1275 . 9 1 1 A 108 108 CYS CB C 108 29.270 27.095 2.175 1
1 1276 . 9 1 1 A 108 108 CYS N N 108 123.406 118.704 4.702 1
1 1277 . 9 1 1 A 109 109 ALA H H 109 8.094 7.914 0.180 1
1 1278 . 9 1 1 A 109 109 ALA HA H 109 3.693 4.232 -0.539 1
1 1282 . 9 1 1 A 109 109 ALA C C 109 178.591 179.835 -1.244 1
1 1283 . 9 1 1 A 109 109 ALA CA C 109 53.710 54.864 -1.154 1
1 1284 . 9 1 1 A 109 109 ALA CB C 109 18.430 18.574 -0.144 1
1 1285 . 9 1 1 A 109 109 ALA N N 109 120.579 122.706 -2.127 1
1 1286 . 9 1 1 A 110 110 ALA H H 110 7.402 7.934 -0.532 1
1 1287 . 9 1 1 A 110 110 ALA HA H 110 4.111 4.172 -0.061 1
1 1291 . 9 1 1 A 110 110 ALA C C 110 177.408 179.202 -1.794 1
1 1292 . 9 1 1 A 110 110 ALA CA C 110 53.000 53.909 -0.909 1
1 1293 . 9 1 1 A 110 110 ALA CB C 110 18.710 18.543 0.167 1
1 1294 . 9 1 1 A 110 110 ALA N N 110 118.992 119.678 -0.686 1
1 1295 . 9 1 1 A 111 111 ALA H H 111 7.247 7.354 -0.107 1
1 1296 . 9 1 1 A 111 111 ALA HA H 111 4.300 4.154 0.146 1
1 1300 . 9 1 1 A 111 111 ALA C C 111 176.488 178.610 -2.122 1
1 1301 . 9 1 1 A 111 111 ALA CA C 111 51.840 53.259 -1.419 1
1 1302 . 9 1 1 A 111 111 ALA CB C 111 19.210 19.309 -0.099 1
1 1303 . 9 1 1 A 111 111 ALA N N 111 120.857 118.948 1.909 1
1 19 . 10 1 1 A 2 2 ALA H H 2 8.460 8.569 -0.109 1
1 20 . 10 1 1 A 2 2 ALA HA H 2 4.304 4.847 -0.543 1
1 24 . 10 1 1 A 2 2 ALA C C 2 178.183 176.527 1.656 1
1 25 . 10 1 1 A 2 2 ALA CA C 2 52.760 51.934 0.826 1
1 26 . 10 1 1 A 2 2 ALA CB C 2 19.150 20.035 -0.885 1
1 27 . 10 1 1 A 2 2 ALA N N 2 125.375 125.122 0.253 1
1 28 . 10 1 1 A 3 3 GLY H H 3 8.343 9.035 -0.692 1
1 29 . 10 1 1 A 3 3 GLY N N 3 108.577 111.315 -2.738 1
1 30 . 10 1 1 A 5 5 LYS HA H 5 4.355 4.430 -0.075 1
1 39 . 10 1 1 A 5 5 LYS CA C 5 56.170 56.604 -0.434 1
1 40 . 10 1 1 A 5 5 LYS CB C 5 33.170 33.401 -0.231 1
1 44 . 10 1 1 A 6 6 SER HA H 6 4.429 4.730 -0.301 1
1 47 . 10 1 1 A 6 6 SER CA C 6 58.390 57.414 0.976 1
1 48 . 10 1 1 A 6 6 SER CB C 6 64.040 65.523 -1.483 1
1 49 . 10 1 1 A 7 7 MET HA H 7 4.435 4.452 -0.017 1
1 57 . 10 1 1 A 7 7 MET CA C 7 55.610 56.339 -0.729 1
1 58 . 10 1 1 A 7 7 MET CB C 7 33.550 30.454 3.096 1
1 61 . 10 1 1 A 8 8 ASN HA H 8 4.837 4.648 0.189 1
1 66 . 10 1 1 A 8 8 ASN C C 8 175.910 175.543 0.367 1
1 67 . 10 1 1 A 8 8 ASN CA C 8 52.310 53.843 -1.533 1
1 68 . 10 1 1 A 8 8 ASN CB C 8 38.190 38.306 -0.116 1
1 70 . 10 1 1 A 9 9 VAL H H 9 8.400 8.505 -0.105 1
1 71 . 10 1 1 A 9 9 VAL HA H 9 3.908 3.937 -0.029 1
1 79 . 10 1 1 A 9 9 VAL C C 9 176.738 177.466 -0.728 1
1 80 . 10 1 1 A 9 9 VAL CA C 9 65.550 66.460 -0.910 1
1 81 . 10 1 1 A 9 9 VAL CB C 9 31.970 31.785 0.185 1
1 84 . 10 1 1 A 9 9 VAL N N 9 121.216 124.778 -3.562 1
1 85 . 10 1 1 A 10 10 GLU H H 10 8.596 8.204 0.392 1
1 86 . 10 1 1 A 10 10 GLU HA H 10 4.077 3.889 0.188 1
1 91 . 10 1 1 A 10 10 GLU C C 10 178.985 179.045 -0.060 1
1 92 . 10 1 1 A 10 10 GLU CA C 10 59.390 59.681 -0.291 1
1 93 . 10 1 1 A 10 10 GLU CB C 10 29.000 29.362 -0.362 1
1 95 . 10 1 1 A 10 10 GLU N N 10 121.274 120.525 0.749 1
1 96 . 10 1 1 A 11 11 SER H H 11 7.841 7.469 0.372 1
1 97 . 10 1 1 A 11 11 SER HA H 11 4.138 4.050 0.088 1
1 100 . 10 1 1 A 11 11 SER C C 11 176.817 176.231 0.586 1
1 101 . 10 1 1 A 11 11 SER CA C 11 60.790 62.233 -1.443 1
1 102 . 10 1 1 A 11 11 SER CB C 11 62.470 62.959 -0.489 1
1 103 . 10 1 1 A 11 11 SER N N 11 115.238 116.393 -1.155 1
1 104 . 10 1 1 A 12 12 TYR H H 12 7.284 7.098 0.186 1
1 105 . 10 1 1 A 12 12 TYR HA H 12 4.104 4.375 -0.271 1
1 112 . 10 1 1 A 12 12 TYR C C 12 177.132 178.100 -0.968 1
1 113 . 10 1 1 A 12 12 TYR CA C 12 62.060 61.343 0.717 1
1 114 . 10 1 1 A 12 12 TYR CB C 12 38.710 37.529 1.181 1
1 117 . 10 1 1 A 12 12 TYR N N 12 120.370 119.706 0.664 1
1 118 . 10 1 1 A 13 13 GLU H H 13 8.490 8.478 0.012 1
1 119 . 10 1 1 A 13 13 GLU HA H 13 3.432 3.861 -0.429 1
1 124 . 10 1 1 A 13 13 GLU C C 13 177.303 178.790 -1.487 1
1 125 . 10 1 1 A 13 13 GLU CA C 13 60.660 59.454 1.206 1
1 126 . 10 1 1 A 13 13 GLU CB C 13 29.200 28.659 0.541 1
1 128 . 10 1 1 A 13 13 GLU N N 13 120.162 120.960 -0.798 1
1 129 . 10 1 1 A 14 14 LYS H H 14 7.454 7.695 -0.241 1
1 130 . 10 1 1 A 14 14 LYS HA H 14 3.900 4.067 -0.167 1
1 139 . 10 1 1 A 14 14 LYS C C 14 178.249 178.682 -0.433 1
1 140 . 10 1 1 A 14 14 LYS CA C 14 59.620 58.970 0.650 1
1 141 . 10 1 1 A 14 14 LYS CB C 14 32.420 32.102 0.318 1
1 145 . 10 1 1 A 14 14 LYS N N 14 117.838 118.708 -0.870 1
1 146 . 10 1 1 A 15 15 ILE H H 15 7.409 7.622 -0.213 1
1 147 . 10 1 1 A 15 15 ILE HA H 15 3.822 4.071 -0.249 1
1 157 . 10 1 1 A 15 15 ILE C C 15 179.668 177.906 1.762 1
1 158 . 10 1 1 A 15 15 ILE CA C 15 65.030 63.011 2.019 1
1 159 . 10 1 1 A 15 15 ILE CB C 15 38.950 37.741 1.209 1
1 163 . 10 1 1 A 15 15 ILE N N 15 118.597 120.577 -1.980 1
1 164 . 10 1 1 A 16 16 LEU H H 16 8.407 8.205 0.202 1
1 165 . 10 1 1 A 16 16 LEU HA H 16 3.992 3.988 0.004 1
1 175 . 10 1 1 A 16 16 LEU C C 16 178.512 179.155 -0.643 1
1 176 . 10 1 1 A 16 16 LEU CA C 16 58.230 58.358 -0.128 1
1 177 . 10 1 1 A 16 16 LEU CB C 16 42.130 41.340 0.790 1
1 181 . 10 1 1 A 16 16 LEU N N 16 120.642 121.188 -0.546 1
1 182 . 10 1 1 A 17 17 ARG H H 17 8.789 7.966 0.823 1
1 183 . 10 1 1 A 17 17 ARG HA H 17 3.917 4.113 -0.196 1
1 190 . 10 1 1 A 17 17 ARG C C 17 179.602 179.037 0.565 1
1 191 . 10 1 1 A 17 17 ARG CA C 17 60.080 59.272 0.808 1
1 192 . 10 1 1 A 17 17 ARG CB C 17 29.620 29.772 -0.152 1
1 195 . 10 1 1 A 17 17 ARG N N 17 119.196 118.997 0.199 1
1 196 . 10 1 1 A 18 18 ASP H H 18 8.638 8.284 0.354 1
1 197 . 10 1 1 A 18 18 ASP HA H 18 4.418 4.340 0.078 1
1 200 . 10 1 1 A 18 18 ASP C C 18 179.116 179.186 -0.070 1
1 201 . 10 1 1 A 18 18 ASP CA C 18 57.330 57.521 -0.191 1
1 202 . 10 1 1 A 18 18 ASP CB C 18 39.700 40.411 -0.711 1
1 203 . 10 1 1 A 18 18 ASP N N 18 121.383 119.686 1.697 1
1 204 . 10 1 1 A 19 19 ARG H H 19 7.947 7.989 -0.042 1
1 205 . 10 1 1 A 19 19 ARG HA H 19 4.180 4.139 0.041 1
1 212 . 10 1 1 A 19 19 ARG C C 19 177.855 179.015 -1.160 1
1 213 . 10 1 1 A 19 19 ARG CA C 19 57.680 59.541 -1.861 1
1 214 . 10 1 1 A 19 19 ARG CB C 19 29.540 29.714 -0.174 1
1 217 . 10 1 1 A 19 19 ARG N N 19 121.506 119.260 2.246 1
1 218 . 10 1 1 A 20 20 GLN H H 20 8.691 8.214 0.477 1
1 219 . 10 1 1 A 20 20 GLN HA H 20 3.589 4.069 -0.480 1
1 226 . 10 1 1 A 20 20 GLN C C 20 176.896 178.497 -1.601 1
1 227 . 10 1 1 A 20 20 GLN CA C 20 59.620 59.230 0.390 1
1 228 . 10 1 1 A 20 20 GLN CB C 20 30.020 28.530 1.490 1
1 230 . 10 1 1 A 20 20 GLN N N 20 120.162 119.411 0.751 1
1 232 . 10 1 1 A 21 21 ARG H H 21 7.959 7.974 -0.015 1
1 233 . 10 1 1 A 21 21 ARG HA H 21 3.973 4.232 -0.259 1
1 240 . 10 1 1 A 21 21 ARG C C 21 178.985 179.094 -0.109 1
1 241 . 10 1 1 A 21 21 ARG CA C 21 59.800 58.848 0.952 1
1 242 . 10 1 1 A 21 21 ARG CB C 21 29.980 30.063 -0.083 1
1 245 . 10 1 1 A 21 21 ARG N N 21 117.219 119.394 -2.175 1
1 246 . 10 1 1 A 22 22 GLU H H 22 7.700 8.165 -0.465 1
1 247 . 10 1 1 A 22 22 GLU HA H 22 4.076 4.121 -0.045 1
1 252 . 10 1 1 A 22 22 GLU C C 22 179.090 179.061 0.029 1
1 253 . 10 1 1 A 22 22 GLU CA C 22 58.950 59.263 -0.313 1
1 254 . 10 1 1 A 22 22 GLU CB C 22 29.580 29.078 0.502 1
1 256 . 10 1 1 A 22 22 GLU N N 22 119.703 118.565 1.138 1
1 257 . 10 1 1 A 23 23 LEU H H 23 8.264 8.104 0.160 1
1 258 . 10 1 1 A 23 23 LEU HA H 23 3.979 4.046 -0.067 1
1 268 . 10 1 1 A 23 23 LEU C C 23 179.234 179.062 0.172 1
1 269 . 10 1 1 A 23 23 LEU CA C 23 57.990 57.941 0.049 1
1 270 . 10 1 1 A 23 23 LEU CB C 23 42.370 41.984 0.386 1
1 274 . 10 1 1 A 23 23 LEU N N 23 119.988 121.724 -1.736 1
1 275 . 10 1 1 A 24 24 TYR H H 24 8.688 8.575 0.113 1
1 276 . 10 1 1 A 24 24 TYR HA H 24 4.084 4.295 -0.211 1
1 283 . 10 1 1 A 24 24 TYR C C 24 178.630 178.182 0.448 1
1 284 . 10 1 1 A 24 24 TYR CA C 24 61.670 61.882 -0.212 1
1 285 . 10 1 1 A 24 24 TYR CB C 24 37.780 38.616 -0.836 1
1 288 . 10 1 1 A 24 24 TYR N N 24 119.101 119.523 -0.422 1
1 289 . 10 1 1 A 25 25 ARG H H 25 7.945 8.117 -0.172 1
1 290 . 10 1 1 A 25 25 ARG HA H 25 4.043 4.171 -0.128 1
1 297 . 10 1 1 A 25 25 ARG C C 25 178.683 178.662 0.021 1
1 298 . 10 1 1 A 25 25 ARG CA C 25 59.460 59.027 0.433 1
1 299 . 10 1 1 A 25 25 ARG CB C 25 30.160 30.139 0.021 1
1 302 . 10 1 1 A 25 25 ARG N N 25 118.297 119.632 -1.335 1
1 303 . 10 1 1 A 26 26 ARG H H 26 7.726 7.709 0.017 1
1 304 . 10 1 1 A 26 26 ARG HA H 26 4.067 4.148 -0.081 1
1 311 . 10 1 1 A 26 26 ARG C C 26 177.986 178.507 -0.521 1
1 312 . 10 1 1 A 26 26 ARG CA C 26 58.300 58.849 -0.549 1
1 313 . 10 1 1 A 26 26 ARG CB C 26 30.670 30.110 0.560 1
1 316 . 10 1 1 A 26 26 ARG N N 26 118.100 119.800 -1.700 1
1 317 . 10 1 1 A 27 27 LEU H H 27 7.971 7.996 -0.025 1
1 318 . 10 1 1 A 27 27 LEU HA H 27 4.095 4.178 -0.083 1
1 328 . 10 1 1 A 27 27 LEU C C 27 177.461 177.707 -0.246 1
1 329 . 10 1 1 A 27 27 LEU CA C 27 56.260 56.613 -0.353 1
1 330 . 10 1 1 A 27 27 LEU CB C 27 42.260 42.020 0.240 1
1 334 . 10 1 1 A 27 27 LEU N N 27 118.633 116.732 1.901 1
1 335 . 10 1 1 A 28 28 HIS H H 28 7.863 7.867 -0.004 1
1 336 . 10 1 1 A 28 28 HIS HA H 28 4.482 4.779 -0.297 1
1 341 . 10 1 1 A 28 28 HIS C C 28 174.741 176.316 -1.575 1
1 342 . 10 1 1 A 28 28 HIS CA C 28 56.310 56.029 0.281 1
1 343 . 10 1 1 A 28 28 HIS CB C 28 29.300 29.193 0.107 1
1 346 . 10 1 1 A 28 28 HIS N N 28 116.767 117.533 -0.766 1
1 347 . 10 1 1 A 29 29 LYS H H 29 7.893 8.396 -0.503 1
1 348 . 10 1 1 A 29 29 LYS HA H 29 4.172 3.991 0.181 1
1 357 . 10 1 1 A 29 29 LYS C C 29 176.357 178.110 -1.753 1
1 358 . 10 1 1 A 29 29 LYS CA C 29 56.830 58.787 -1.957 1
1 359 . 10 1 1 A 29 29 LYS CB C 29 32.000 31.452 0.548 1
1 363 . 10 1 1 A 29 29 LYS N N 29 120.331 118.365 1.966 1
1 364 . 10 1 1 A 30 30 ILE H H 30 7.995 7.590 0.405 1
1 365 . 10 1 1 A 30 30 ILE HA H 30 4.085 3.826 0.259 1
1 375 . 10 1 1 A 30 30 ILE C C 30 176.344 177.834 -1.490 1
1 376 . 10 1 1 A 30 30 ILE CA C 30 61.440 63.988 -2.548 1
1 377 . 10 1 1 A 30 30 ILE CB C 30 39.020 37.415 1.605 1
1 381 . 10 1 1 A 30 30 ILE N N 30 120.440 117.099 3.341 1
1 382 . 10 1 1 A 31 31 GLU H H 31 8.367 7.446 0.921 1
1 383 . 10 1 1 A 31 31 GLU HA H 31 4.159 4.274 -0.115 1
1 388 . 10 1 1 A 31 31 GLU C C 31 176.265 177.261 -0.996 1
1 389 . 10 1 1 A 31 31 GLU CA C 31 56.890 58.674 -1.784 1
1 390 . 10 1 1 A 31 31 GLU CB C 31 30.050 29.821 0.229 1
1 392 . 10 1 1 A 31 31 GLU N N 31 124.043 120.397 3.646 1
1 393 . 10 1 1 A 32 32 ALA H H 32 8.138 7.519 0.619 1
1 394 . 10 1 1 A 32 32 ALA HA H 32 4.175 4.361 -0.186 1
1 398 . 10 1 1 A 32 32 ALA C C 32 177.198 176.826 0.372 1
1 399 . 10 1 1 A 32 32 ALA CA C 32 52.620 51.676 0.944 1
1 400 . 10 1 1 A 32 32 ALA CB C 32 19.490 18.722 0.768 1
1 401 . 10 1 1 A 32 32 ALA N N 32 124.170 122.563 1.607 1
1 402 . 10 1 1 A 33 33 ASP H H 33 8.157 8.606 -0.449 1
1 403 . 10 1 1 A 33 33 ASP HA H 33 4.467 4.213 0.254 1
1 406 . 10 1 1 A 33 33 ASP C C 33 175.910 176.197 -0.287 1
1 407 . 10 1 1 A 33 33 ASP CA C 33 54.500 57.328 -2.828 1
1 408 . 10 1 1 A 33 33 ASP CB C 33 40.750 40.803 -0.053 1
1 409 . 10 1 1 A 33 33 ASP N N 33 118.904 124.216 -5.312 1
1 410 . 10 1 1 A 34 34 PHE H H 34 7.884 7.616 0.268 1
1 411 . 10 1 1 A 34 34 PHE HA H 34 4.514 4.566 -0.052 1
1 418 . 10 1 1 A 34 34 PHE C C 34 175.319 176.310 -0.991 1
1 419 . 10 1 1 A 34 34 PHE CA C 34 57.610 58.315 -0.705 1
1 420 . 10 1 1 A 34 34 PHE CB C 34 39.840 40.484 -0.644 1
1 423 . 10 1 1 A 34 34 PHE N N 34 119.439 117.129 2.310 1
1 424 . 10 1 1 A 35 35 GLU H H 35 8.084 9.231 -1.147 1
1 425 . 10 1 1 A 35 35 GLU HA H 35 4.190 4.278 -0.088 1
1 430 . 10 1 1 A 35 35 GLU C C 35 175.634 176.752 -1.118 1
1 431 . 10 1 1 A 35 35 GLU CA C 35 56.140 56.502 -0.362 1
1 432 . 10 1 1 A 35 35 GLU CB C 35 30.810 29.815 0.995 1
1 434 . 10 1 1 A 35 35 GLU N N 35 122.340 120.950 1.390 1
1 435 . 10 1 1 A 36 36 GLU H H 36 8.172 8.144 0.028 1
1 436 . 10 1 1 A 36 36 GLU HA H 36 4.442 4.549 -0.107 1
1 441 . 10 1 1 A 36 36 GLU CA C 36 54.300 58.132 -3.832 1
1 442 . 10 1 1 A 36 36 GLU CB C 36 29.490 28.696 0.794 1
1 444 . 10 1 1 A 36 36 GLU N N 36 123.278 116.328 6.950 1
1 445 . 10 1 1 A 37 37 PRO HA H 37 4.339 4.511 -0.172 1
1 452 . 10 1 1 A 37 37 PRO C C 37 175.818 177.485 -1.667 1
1 453 . 10 1 1 A 37 37 PRO CA C 37 62.800 63.289 -0.489 1
1 454 . 10 1 1 A 37 37 PRO CB C 37 31.900 31.918 -0.018 1
1 457 . 10 1 1 A 38 38 ARG H H 38 8.412 8.882 -0.470 1
1 458 . 10 1 1 A 38 38 ARG HA H 38 4.255 4.169 0.086 1
1 465 . 10 1 1 A 38 38 ARG C C 38 175.818 176.811 -0.993 1
1 466 . 10 1 1 A 38 38 ARG CA C 38 55.350 57.929 -2.579 1
1 467 . 10 1 1 A 38 38 ARG CB C 38 31.010 30.740 0.270 1
1 470 . 10 1 1 A 38 38 ARG N N 38 121.791 120.942 0.849 1
1 471 . 10 1 1 A 39 39 ASN H H 39 8.624 7.849 0.775 1
1 472 . 10 1 1 A 39 39 ASN HA H 39 4.906 4.890 0.016 1
1 477 . 10 1 1 A 39 39 ASN CA C 39 51.100 51.876 -0.776 1
1 478 . 10 1 1 A 39 39 ASN CB C 39 38.560 37.964 0.596 1
1 479 . 10 1 1 A 39 39 ASN N N 39 121.594 118.067 3.527 1
1 481 . 10 1 1 A 40 40 PRO HA H 40 4.310 4.608 -0.298 1
1 488 . 10 1 1 A 40 40 PRO C C 40 176.896 175.080 1.816 1
1 489 . 10 1 1 A 40 40 PRO CA C 40 63.970 62.918 1.052 1
1 490 . 10 1 1 A 40 40 PRO CB C 40 32.210 31.276 0.934 1
1 493 . 10 1 1 A 41 41 ASP H H 41 8.219 8.639 -0.420 1
1 494 . 10 1 1 A 41 41 ASP HA H 41 4.516 5.000 -0.484 1
1 497 . 10 1 1 A 41 41 ASP C C 41 176.252 174.517 1.735 1
1 498 . 10 1 1 A 41 41 ASP CA C 41 54.740 53.754 0.986 1
1 499 . 10 1 1 A 41 41 ASP CB C 41 41.100 42.259 -1.159 1
1 500 . 10 1 1 A 41 41 ASP N N 41 118.818 124.058 -5.240 1
1 501 . 10 1 1 A 42 42 ASP H H 42 7.949 8.757 -0.808 1
1 502 . 10 1 1 A 42 42 ASP HA H 42 4.516 4.762 -0.246 1
1 505 . 10 1 1 A 42 42 ASP C C 42 176.567 176.723 -0.156 1
1 506 . 10 1 1 A 42 42 ASP CA C 42 54.910 54.923 -0.013 1
1 507 . 10 1 1 A 42 42 ASP CB C 42 41.100 42.123 -1.023 1
1 508 . 10 1 1 A 42 42 ASP N N 42 120.104 124.462 -4.358 1
1 509 . 10 1 1 A 43 43 GLU H H 43 8.179 8.044 0.135 1
1 510 . 10 1 1 A 43 43 GLU HA H 43 4.153 3.912 0.241 1
1 515 . 10 1 1 A 43 43 GLU C C 43 176.488 174.680 1.808 1
1 516 . 10 1 1 A 43 43 GLU CA C 43 57.070 57.408 -0.338 1
1 517 . 10 1 1 A 43 43 GLU CB C 43 30.430 28.123 2.307 1
1 519 . 10 1 1 A 43 43 GLU N N 43 121.153 115.662 5.491 1
1 520 . 10 1 1 A 44 44 ASP H H 44 8.325 8.027 0.298 1
1 521 . 10 1 1 A 44 44 ASP HA H 44 4.517 4.756 -0.239 1
1 524 . 10 1 1 A 44 44 ASP C C 44 176.462 176.327 0.135 1
1 525 . 10 1 1 A 44 44 ASP CA C 44 54.360 53.886 0.474 1
1 526 . 10 1 1 A 44 44 ASP CB C 44 41.030 41.903 -0.873 1
1 527 . 10 1 1 A 44 44 ASP N N 44 121.100 118.889 2.211 1
1 528 . 10 1 1 A 45 45 ARG H H 45 8.106 8.700 -0.594 1
1 529 . 10 1 1 A 45 45 ARG HA H 45 4.252 4.605 -0.353 1
1 536 . 10 1 1 A 45 45 ARG C C 45 176.475 176.274 0.201 1
1 537 . 10 1 1 A 45 45 ARG CA C 45 56.000 55.248 0.752 1
1 538 . 10 1 1 A 45 45 ARG CB C 45 30.360 31.191 -0.831 1
1 541 . 10 1 1 A 45 45 ARG N N 45 121.258 125.142 -3.884 1
1 542 . 10 1 1 A 46 46 ALA H H 46 8.235 7.764 0.471 1
1 543 . 10 1 1 A 46 46 ALA HA H 46 4.220 4.420 -0.200 1
1 547 . 10 1 1 A 46 46 ALA C C 46 178.196 176.919 1.277 1
1 548 . 10 1 1 A 46 46 ALA CA C 46 53.070 53.123 -0.053 1
1 549 . 10 1 1 A 46 46 ALA CB C 46 18.840 20.462 -1.622 1
1 550 . 10 1 1 A 46 46 ALA N N 46 124.506 122.369 2.137 1
1 551 . 10 1 1 A 47 47 SER H H 47 8.150 7.417 0.733 1
1 552 . 10 1 1 A 47 47 SER HA H 47 4.331 4.400 -0.069 1
1 555 . 10 1 1 A 47 47 SER C C 47 174.727 173.332 1.395 1
1 556 . 10 1 1 A 47 47 SER CA C 47 58.820 57.626 1.194 1
1 557 . 10 1 1 A 47 47 SER CB C 47 63.520 62.980 0.540 1
1 558 . 10 1 1 A 47 47 SER N N 47 114.398 110.837 3.561 1
1 559 . 10 1 1 A 48 48 GLU H H 48 8.235 8.815 -0.580 1
1 560 . 10 1 1 A 48 48 GLU HA H 48 4.244 4.546 -0.302 1
1 565 . 10 1 1 A 48 48 GLU C C 48 176.396 175.196 1.200 1
1 566 . 10 1 1 A 48 48 GLU CA C 48 56.550 55.944 0.606 1
1 567 . 10 1 1 A 48 48 GLU CB C 48 30.330 30.315 0.015 1
1 569 . 10 1 1 A 48 48 GLU N N 48 122.340 127.385 -5.045 1
1 570 . 10 1 1 A 49 49 ARG H H 49 8.174 8.860 -0.686 1
1 571 . 10 1 1 A 49 49 ARG HA H 49 4.339 4.895 -0.556 1
1 578 . 10 1 1 A 49 49 ARG C C 49 176.344 175.401 0.943 1
1 579 . 10 1 1 A 49 49 ARG CA C 49 55.900 54.340 1.560 1
1 580 . 10 1 1 A 49 49 ARG CB C 49 30.980 33.421 -2.441 1
1 583 . 10 1 1 A 49 49 ARG N N 49 121.431 127.352 -5.921 1
1 584 . 10 1 1 A 50 50 SER H H 50 8.389 8.794 -0.405 1
1 585 . 10 1 1 A 50 50 SER HA H 50 4.392 4.935 -0.543 1
1 588 . 10 1 1 A 50 50 SER C C 50 174.517 173.650 0.867 1
1 589 . 10 1 1 A 50 50 SER CA C 50 58.230 58.589 -0.359 1
1 590 . 10 1 1 A 50 50 SER CB C 50 64.010 63.775 0.235 1
1 591 . 10 1 1 A 50 50 SER N N 50 117.321 119.402 -2.081 1
1 592 . 10 1 1 A 51 51 ASN H H 51 8.488 8.848 -0.360 1
1 593 . 10 1 1 A 51 51 ASN HA H 51 4.657 5.301 -0.644 1
1 598 . 10 1 1 A 51 51 ASN C C 51 175.122 175.055 0.067 1
1 599 . 10 1 1 A 51 51 ASN CA C 51 53.780 52.541 1.239 1
1 600 . 10 1 1 A 51 51 ASN CB C 51 38.770 38.789 -0.019 1
1 601 . 10 1 1 A 51 51 ASN N N 51 120.903 124.964 -4.061 1
1 603 . 10 1 1 A 52 52 ASP H H 52 8.231 8.619 -0.388 1
1 604 . 10 1 1 A 52 52 ASP HA H 52 4.517 4.950 -0.433 1
1 607 . 10 1 1 A 52 52 ASP C C 52 176.291 176.422 -0.131 1
1 608 . 10 1 1 A 52 52 ASP CA C 52 54.500 53.180 1.320 1
1 609 . 10 1 1 A 52 52 ASP CB C 52 41.170 42.127 -0.957 1
1 610 . 10 1 1 A 52 52 ASP N N 52 120.236 120.510 -0.274 1
1 611 . 10 1 1 A 53 53 GLU H H 53 8.139 7.525 0.614 1
1 612 . 10 1 1 A 53 53 GLU HA H 53 4.194 4.260 -0.066 1
1 617 . 10 1 1 A 53 53 GLU C C 53 176.606 176.965 -0.359 1
1 618 . 10 1 1 A 53 53 GLU CA C 53 56.930 56.721 0.209 1
1 619 . 10 1 1 A 53 53 GLU CB C 53 30.500 30.215 0.285 1
1 621 . 10 1 1 A 53 53 GLU N N 53 120.655 121.224 -0.569 1
1 622 . 10 1 1 A 54 54 VAL H H 54 8.061 8.551 -0.490 1
1 623 . 10 1 1 A 54 54 VAL HA H 54 3.978 4.087 -0.109 1
1 631 . 10 1 1 A 54 54 VAL C C 54 176.278 175.576 0.702 1
1 632 . 10 1 1 A 54 54 VAL CA C 54 62.880 64.537 -1.657 1
1 633 . 10 1 1 A 54 54 VAL CB C 54 32.660 31.823 0.837 1
1 636 . 10 1 1 A 54 54 VAL N N 54 121.320 126.341 -5.021 1
1 637 . 10 1 1 A 55 55 LEU H H 55 8.209 7.176 1.033 1
1 638 . 10 1 1 A 55 55 LEU HA H 55 4.273 4.147 0.126 1
1 648 . 10 1 1 A 55 55 LEU C C 55 177.355 177.052 0.303 1
1 649 . 10 1 1 A 55 55 LEU CA C 55 55.290 55.832 -0.542 1
1 650 . 10 1 1 A 55 55 LEU CB C 55 42.190 43.029 -0.839 1
1 654 . 10 1 1 A 55 55 LEU N N 55 125.139 123.321 1.818 1
1 655 . 10 1 1 A 56 56 ASP H H 56 8.204 8.862 -0.658 1
1 656 . 10 1 1 A 56 56 ASP HA H 56 4.516 4.437 0.079 1
1 659 . 10 1 1 A 56 56 ASP C C 56 176.633 177.385 -0.752 1
1 660 . 10 1 1 A 56 56 ASP CA C 56 54.360 56.349 -1.989 1
1 661 . 10 1 1 A 56 56 ASP CB C 56 41.070 40.493 0.577 1
1 662 . 10 1 1 A 56 56 ASP N N 56 121.154 127.136 -5.982 1
1 663 . 10 1 1 A 57 57 GLU H H 57 8.316 7.966 0.350 1
1 664 . 10 1 1 A 57 57 GLU HA H 57 4.164 4.363 -0.199 1
1 669 . 10 1 1 A 57 57 GLU C C 57 177.158 176.243 0.915 1
1 670 . 10 1 1 A 57 57 GLU CA C 57 57.650 56.449 1.201 1
1 671 . 10 1 1 A 57 57 GLU CB C 57 30.020 30.021 -0.001 1
1 673 . 10 1 1 A 57 57 GLU N N 57 120.771 117.348 3.423 1
1 674 . 10 1 1 A 58 58 LEU H H 58 8.204 6.916 1.288 1
1 675 . 10 1 1 A 58 58 LEU HA H 58 4.231 4.350 -0.119 1
1 685 . 10 1 1 A 58 58 LEU C C 58 178.538 177.456 1.082 1
1 686 . 10 1 1 A 58 58 LEU CA C 58 55.690 53.865 1.825 1
1 687 . 10 1 1 A 58 58 LEU CB C 58 42.230 42.250 -0.020 1
1 691 . 10 1 1 A 58 58 LEU N N 58 120.716 121.930 -1.214 1
1 692 . 10 1 1 A 59 59 GLY H H 59 8.212 8.498 -0.286 1
1 693 . 10 1 1 A 59 59 GLY HA2 H 59 3.917 4.047 -0.130 1
1 694 . 10 1 1 A 59 59 GLY HA3 H 59 3.917 4.049 -0.132 1
1 695 . 10 1 1 A 59 59 GLY C C 59 174.294 175.011 -0.717 1
1 696 . 10 1 1 A 59 59 GLY CA C 59 45.550 45.600 -0.050 1
1 697 . 10 1 1 A 59 59 GLY N N 59 108.670 110.467 -1.797 1
1 698 . 10 1 1 A 60 60 GLN H H 60 8.310 8.636 -0.326 1
1 699 . 10 1 1 A 60 60 GLN HA H 60 4.079 3.873 0.206 1
1 706 . 10 1 1 A 60 60 GLN C C 60 177.171 177.911 -0.740 1
1 707 . 10 1 1 A 60 60 GLN CA C 60 57.590 58.851 -1.261 1
1 708 . 10 1 1 A 60 60 GLN CB C 60 28.960 28.486 0.474 1
1 710 . 10 1 1 A 60 60 GLN N N 60 120.662 122.456 -1.794 1
1 712 . 10 1 1 A 61 61 VAL H H 61 8.136 8.004 0.132 1
1 713 . 10 1 1 A 61 61 VAL HA H 61 3.971 3.583 0.388 1
1 721 . 10 1 1 A 61 61 VAL C C 61 178.262 177.510 0.752 1
1 722 . 10 1 1 A 61 61 VAL CA C 61 64.420 65.806 -1.386 1
1 723 . 10 1 1 A 61 61 VAL CB C 61 32.110 31.479 0.631 1
1 726 . 10 1 1 A 61 61 VAL N N 61 119.154 120.851 -1.697 1
1 727 . 10 1 1 A 62 62 GLY H H 62 8.183 8.235 -0.052 1
1 728 . 10 1 1 A 62 62 GLY HA2 H 62 3.966 3.675 0.291 1
1 729 . 10 1 1 A 62 62 GLY HA3 H 62 3.783 3.676 0.107 1
1 730 . 10 1 1 A 62 62 GLY C C 62 174.872 175.767 -0.895 1
1 731 . 10 1 1 A 62 62 GLY CA C 62 46.780 47.072 -0.292 1
1 732 . 10 1 1 A 62 62 GLY N N 62 110.813 107.462 3.351 1
1 733 . 10 1 1 A 63 63 GLN H H 63 8.235 8.039 0.196 1
1 734 . 10 1 1 A 63 63 GLN HA H 63 3.966 3.951 0.015 1
1 741 . 10 1 1 A 63 63 GLN C C 63 178.170 178.250 -0.080 1
1 742 . 10 1 1 A 63 63 GLN CA C 63 58.990 58.561 0.429 1
1 743 . 10 1 1 A 63 63 GLN CB C 63 28.500 28.530 -0.030 1
1 745 . 10 1 1 A 63 63 GLN N N 63 120.667 121.040 -0.373 1
1 747 . 10 1 1 A 64 64 ASP H H 64 8.386 8.060 0.326 1
1 748 . 10 1 1 A 64 64 ASP HA H 64 4.347 4.317 0.030 1
1 751 . 10 1 1 A 64 64 ASP C C 64 178.669 178.617 0.052 1
1 752 . 10 1 1 A 64 64 ASP CA C 64 56.860 57.371 -0.511 1
1 753 . 10 1 1 A 64 64 ASP CB C 64 39.970 41.189 -1.219 1
1 754 . 10 1 1 A 64 64 ASP N N 64 120.058 119.751 0.307 1
1 755 . 10 1 1 A 65 65 GLU H H 65 7.992 7.832 0.160 1
1 756 . 10 1 1 A 65 65 GLU HA H 65 3.542 4.041 -0.499 1
1 761 . 10 1 1 A 65 65 GLU C C 65 177.842 178.511 -0.669 1
1 762 . 10 1 1 A 65 65 GLU CA C 65 59.560 59.158 0.402 1
1 763 . 10 1 1 A 65 65 GLU CB C 65 29.100 29.256 -0.156 1
1 765 . 10 1 1 A 65 65 GLU N N 65 123.846 119.513 4.333 1
1 766 . 10 1 1 A 66 66 LEU H H 66 8.100 8.142 -0.042 1
1 767 . 10 1 1 A 66 66 LEU HA H 66 3.783 3.974 -0.191 1
1 777 . 10 1 1 A 66 66 LEU C C 66 178.893 178.360 0.533 1
1 778 . 10 1 1 A 66 66 LEU CA C 66 58.610 58.009 0.601 1
1 779 . 10 1 1 A 66 66 LEU CB C 66 41.510 41.529 -0.019 1
1 783 . 10 1 1 A 66 66 LEU N N 66 119.444 121.395 -1.951 1
1 784 . 10 1 1 A 67 67 ARG H H 67 7.870 8.247 -0.377 1
1 785 . 10 1 1 A 67 67 ARG HA H 67 4.095 3.959 0.136 1
1 792 . 10 1 1 A 67 67 ARG C C 67 179.484 178.337 1.147 1
1 793 . 10 1 1 A 67 67 ARG CA C 67 59.490 59.541 -0.051 1
1 794 . 10 1 1 A 67 67 ARG CB C 67 30.230 29.973 0.257 1
1 797 . 10 1 1 A 67 67 ARG N N 67 118.088 119.290 -1.202 1
1 798 . 10 1 1 A 68 68 ALA H H 68 7.820 7.715 0.105 1
1 799 . 10 1 1 A 68 68 ALA HA H 68 4.188 4.071 0.117 1
1 803 . 10 1 1 A 68 68 ALA C C 68 181.626 180.205 1.421 1
1 804 . 10 1 1 A 68 68 ALA CA C 68 54.840 55.057 -0.217 1
1 805 . 10 1 1 A 68 68 ALA CB C 68 18.400 18.596 -0.196 1
1 806 . 10 1 1 A 68 68 ALA N N 68 123.318 121.604 1.714 1
1 807 . 10 1 1 A 69 69 ILE H H 69 8.643 7.746 0.897 1
1 808 . 10 1 1 A 69 69 ILE HA H 69 3.539 3.755 -0.216 1
1 818 . 10 1 1 A 69 69 ILE C C 69 177.290 177.531 -0.241 1
1 819 . 10 1 1 A 69 69 ILE CA C 69 66.370 65.331 1.039 1
1 820 . 10 1 1 A 69 69 ILE CB C 69 38.090 38.134 -0.044 1
1 824 . 10 1 1 A 69 69 ILE N N 69 122.954 119.016 3.938 1
1 825 . 10 1 1 A 70 70 ASP H H 70 8.415 8.623 -0.208 1
1 826 . 10 1 1 A 70 70 ASP HA H 70 4.336 4.383 -0.047 1
1 829 . 10 1 1 A 70 70 ASP C C 70 179.786 178.867 0.919 1
1 830 . 10 1 1 A 70 70 ASP CA C 70 58.130 57.252 0.878 1
1 831 . 10 1 1 A 70 70 ASP CB C 70 40.310 40.080 0.230 1
1 832 . 10 1 1 A 70 70 ASP N N 70 121.571 120.044 1.527 1
1 833 . 10 1 1 A 71 71 ALA H H 71 7.869 8.035 -0.166 1
1 834 . 10 1 1 A 71 71 ALA HA H 71 4.215 4.164 0.051 1
1 838 . 10 1 1 A 71 71 ALA C C 71 180.246 179.682 0.564 1
1 839 . 10 1 1 A 71 71 ALA CA C 71 54.500 54.865 -0.365 1
1 840 . 10 1 1 A 71 71 ALA CB C 71 17.680 18.477 -0.797 1
1 841 . 10 1 1 A 71 71 ALA N N 71 121.459 122.617 -1.158 1
1 842 . 10 1 1 A 72 72 ALA H H 72 8.263 7.787 0.476 1
1 843 . 10 1 1 A 72 72 ALA HA H 72 4.045 4.258 -0.213 1
1 847 . 10 1 1 A 72 72 ALA C C 72 179.668 180.443 -0.775 1
1 848 . 10 1 1 A 72 72 ALA CA C 72 55.560 55.191 0.369 1
1 849 . 10 1 1 A 72 72 ALA CB C 72 19.870 18.741 1.129 1
1 850 . 10 1 1 A 72 72 ALA N N 72 123.378 121.053 2.325 1
1 851 . 10 1 1 A 73 73 LEU H H 73 8.790 8.450 0.340 1
1 852 . 10 1 1 A 73 73 LEU HA H 73 3.920 4.013 -0.093 1
1 862 . 10 1 1 A 73 73 LEU C C 73 180.286 179.403 0.883 1
1 863 . 10 1 1 A 73 73 LEU CA C 73 58.130 57.824 0.306 1
1 864 . 10 1 1 A 73 73 LEU CB C 73 41.200 40.971 0.229 1
1 868 . 10 1 1 A 73 73 LEU N N 73 119.015 120.425 -1.410 1
1 869 . 10 1 1 A 74 74 ALA H H 74 7.931 8.196 -0.265 1
1 870 . 10 1 1 A 74 74 ALA HA H 74 4.273 3.974 0.299 1
1 874 . 10 1 1 A 74 74 ALA C C 74 180.811 179.674 1.137 1
1 875 . 10 1 1 A 74 74 ALA CA C 74 54.960 55.120 -0.160 1
1 876 . 10 1 1 A 74 74 ALA CB C 74 17.690 18.239 -0.549 1
1 877 . 10 1 1 A 74 74 ALA N N 74 124.135 122.378 1.757 1
1 878 . 10 1 1 A 75 75 ARG H H 75 7.898 7.657 0.241 1
1 879 . 10 1 1 A 75 75 ARG HA H 75 4.138 4.090 0.048 1
1 886 . 10 1 1 A 75 75 ARG C C 75 179.721 179.344 0.377 1
1 887 . 10 1 1 A 75 75 ARG CA C 75 60.170 59.273 0.897 1
1 888 . 10 1 1 A 75 75 ARG CB C 75 29.970 29.999 -0.029 1
1 891 . 10 1 1 A 75 75 ARG N N 75 120.143 117.087 3.056 1
1 892 . 10 1 1 A 76 76 ILE H H 76 8.061 7.925 0.136 1
1 893 . 10 1 1 A 76 76 ILE HA H 76 3.697 3.786 -0.089 1
1 903 . 10 1 1 A 76 76 ILE C C 76 179.392 178.187 1.205 1
1 904 . 10 1 1 A 76 76 ILE CA C 76 66.060 65.588 0.472 1
1 905 . 10 1 1 A 76 76 ILE CB C 76 37.240 37.696 -0.456 1
1 909 . 10 1 1 A 76 76 ILE N N 76 121.537 121.644 -0.107 1
1 910 . 10 1 1 A 77 77 ALA H H 77 7.735 8.157 -0.422 1
1 911 . 10 1 1 A 77 77 ALA HA H 77 4.132 4.091 0.041 1
1 915 . 10 1 1 A 77 77 ALA C C 77 179.326 179.689 -0.363 1
1 916 . 10 1 1 A 77 77 ALA CA C 77 54.910 55.065 -0.155 1
1 917 . 10 1 1 A 77 77 ALA CB C 77 17.950 18.107 -0.157 1
1 918 . 10 1 1 A 77 77 ALA N N 77 122.664 122.798 -0.134 1
1 919 . 10 1 1 A 78 78 SER H H 78 7.999 7.537 0.462 1
1 920 . 10 1 1 A 78 78 SER HA H 78 4.472 4.530 -0.058 1
1 923 . 10 1 1 A 78 78 SER C C 78 174.675 174.867 -0.192 1
1 924 . 10 1 1 A 78 78 SER CA C 78 59.260 58.556 0.704 1
1 925 . 10 1 1 A 78 78 SER CB C 78 64.070 63.870 0.200 1
1 926 . 10 1 1 A 78 78 SER N N 78 111.061 110.704 0.357 1
1 927 . 10 1 1 A 79 79 GLY H H 79 7.844 7.713 0.131 1
1 928 . 10 1 1 A 79 79 GLY HA2 H 79 4.233 3.967 0.266 1
1 929 . 10 1 1 A 79 79 GLY HA3 H 79 4.087 3.982 0.105 1
1 930 . 10 1 1 A 79 79 GLY C C 79 175.687 173.909 1.778 1
1 931 . 10 1 1 A 79 79 GLY CA C 79 46.470 45.715 0.755 1
1 932 . 10 1 1 A 79 79 GLY N N 79 109.909 109.191 0.718 1
1 933 . 10 1 1 A 80 80 THR H H 80 8.408 7.870 0.538 1
1 934 . 10 1 1 A 80 80 THR HA H 80 4.504 4.544 -0.040 1
1 939 . 10 1 1 A 80 80 THR C C 80 174.793 174.079 0.714 1
1 940 . 10 1 1 A 80 80 THR CA C 80 60.280 61.201 -0.921 1
1 941 . 10 1 1 A 80 80 THR CB C 80 69.000 69.203 -0.203 1
1 943 . 10 1 1 A 80 80 THR N N 80 109.416 115.920 -6.504 1
1 944 . 10 1 1 A 81 81 PHE H H 81 7.610 7.789 -0.179 1
1 945 . 10 1 1 A 81 81 PHE HA H 81 3.944 4.258 -0.314 1
1 950 . 10 1 1 A 81 81 PHE C C 81 176.462 176.843 -0.381 1
1 951 . 10 1 1 A 81 81 PHE CA C 81 59.940 59.880 0.060 1
1 952 . 10 1 1 A 81 81 PHE CB C 81 39.700 38.804 0.896 1
1 954 . 10 1 1 A 81 81 PHE N N 81 123.672 123.550 0.122 1
1 955 . 10 1 1 A 82 82 GLY H H 82 8.827 8.061 0.766 1
1 956 . 10 1 1 A 82 82 GLY HA2 H 82 4.000 3.348 0.652 1
1 957 . 10 1 1 A 82 82 GLY HA3 H 82 2.606 3.551 -0.945 1
1 958 . 10 1 1 A 82 82 GLY C C 82 172.388 174.049 -1.661 1
1 959 . 10 1 1 A 82 82 GLY CA C 82 44.590 46.485 -1.895 1
1 960 . 10 1 1 A 82 82 GLY N N 82 115.493 113.572 1.921 1
1 961 . 10 1 1 A 83 83 THR H H 83 7.265 7.485 -0.220 1
1 962 . 10 1 1 A 83 83 THR HA H 83 4.418 4.702 -0.284 1
1 967 . 10 1 1 A 83 83 THR C C 83 173.808 172.824 0.984 1
1 968 . 10 1 1 A 83 83 THR CA C 83 61.180 61.197 -0.017 1
1 969 . 10 1 1 A 83 83 THR CB C 83 70.020 71.460 -1.440 1
1 971 . 10 1 1 A 83 83 THR N N 83 115.366 114.052 1.314 1
1 972 . 10 1 1 A 84 84 CYS H H 84 9.410 8.513 0.897 1
1 973 . 10 1 1 A 84 84 CYS HA H 84 4.339 4.743 -0.404 1
1 976 . 10 1 1 A 84 84 CYS C C 84 177.986 175.643 2.343 1
1 977 . 10 1 1 A 84 84 CYS CA C 84 60.080 58.551 1.529 1
1 978 . 10 1 1 A 84 84 CYS CB C 84 30.630 27.224 3.406 1
1 979 . 10 1 1 A 84 84 CYS N N 84 131.144 125.289 5.855 1
1 980 . 10 1 1 A 85 85 VAL H H 85 8.461 7.971 0.490 1
1 981 . 10 1 1 A 85 85 VAL HA H 85 3.918 3.709 0.209 1
1 989 . 10 1 1 A 85 85 VAL C C 85 175.608 177.363 -1.755 1
1 990 . 10 1 1 A 85 85 VAL CA C 85 64.080 65.343 -1.263 1
1 991 . 10 1 1 A 85 85 VAL CB C 85 31.730 31.354 0.376 1
1 994 . 10 1 1 A 85 85 VAL N N 85 126.221 125.261 0.960 1
1 995 . 10 1 1 A 86 86 LYS H H 86 8.924 8.138 0.786 1
1 996 . 10 1 1 A 86 86 LYS HA H 86 4.496 4.171 0.325 1
1 1005 . 10 1 1 A 86 86 LYS C C 86 177.277 177.391 -0.114 1
1 1006 . 10 1 1 A 86 86 LYS CA C 86 58.500 58.395 0.105 1
1 1007 . 10 1 1 A 86 86 LYS CB C 86 33.780 32.549 1.231 1
1 1011 . 10 1 1 A 86 86 LYS N N 86 123.551 121.764 1.787 1
1 1012 . 10 1 1 A 87 87 CYS H H 87 8.264 7.614 0.650 1
1 1013 . 10 1 1 A 87 87 CYS HA H 87 4.925 4.595 0.330 1
1 1016 . 10 1 1 A 87 87 CYS C C 87 177.211 175.904 1.307 1
1 1017 . 10 1 1 A 87 87 CYS CA C 87 58.980 59.432 -0.452 1
1 1018 . 10 1 1 A 87 87 CYS CB C 87 33.100 29.991 3.109 1
1 1019 . 10 1 1 A 87 87 CYS N N 87 117.502 116.076 1.426 1
1 1020 . 10 1 1 A 88 88 GLY H H 88 7.655 8.162 -0.507 1
1 1021 . 10 1 1 A 88 88 GLY HA2 H 88 4.159 3.899 0.260 1
1 1022 . 10 1 1 A 88 88 GLY HA3 H 88 3.729 3.899 -0.170 1
1 1023 . 10 1 1 A 88 88 GLY C C 88 173.558 174.053 -0.495 1
1 1024 . 10 1 1 A 88 88 GLY CA C 88 46.300 45.723 0.577 1
1 1025 . 10 1 1 A 88 88 GLY N N 88 111.948 110.335 1.613 1
1 1026 . 10 1 1 A 89 89 LYS H H 89 8.721 7.428 1.293 1
1 1027 . 10 1 1 A 89 89 LYS HA H 89 4.315 4.628 -0.313 1
1 1036 . 10 1 1 A 89 89 LYS C C 89 176.659 175.741 0.918 1
1 1037 . 10 1 1 A 89 89 LYS CA C 89 56.860 54.962 1.898 1
1 1038 . 10 1 1 A 89 89 LYS CB C 89 33.540 34.241 -0.701 1
1 1042 . 10 1 1 A 89 89 LYS N N 89 123.614 119.972 3.642 1
1 1043 . 10 1 1 A 90 90 ARG H H 90 8.415 8.509 -0.094 1
1 1044 . 10 1 1 A 90 90 ARG HA H 90 4.299 4.833 -0.534 1
1 1051 . 10 1 1 A 90 90 ARG C C 90 176.041 175.930 0.111 1
1 1052 . 10 1 1 A 90 90 ARG CA C 90 56.030 54.896 1.134 1
1 1053 . 10 1 1 A 90 90 ARG CB C 90 29.470 31.811 -2.341 1
1 1056 . 10 1 1 A 90 90 ARG N N 90 121.880 119.882 1.998 1
1 1057 . 10 1 1 A 91 91 ILE H H 91 8.334 8.410 -0.076 1
1 1058 . 10 1 1 A 91 91 ILE HA H 91 3.668 4.434 -0.766 1
1 1068 . 10 1 1 A 91 91 ILE C C 91 175.003 176.258 -1.255 1
1 1069 . 10 1 1 A 91 91 ILE CA C 91 61.810 60.233 1.577 1
1 1070 . 10 1 1 A 91 91 ILE CB C 91 38.920 39.028 -0.108 1
1 1074 . 10 1 1 A 91 91 ILE N N 91 128.410 122.079 6.331 1
1 1075 . 10 1 1 A 92 92 SER H H 92 8.551 8.655 -0.104 1
1 1076 . 10 1 1 A 92 92 SER HA H 92 4.180 4.437 -0.257 1
1 1079 . 10 1 1 A 92 92 SER C C 92 175.108 175.052 0.056 1
1 1080 . 10 1 1 A 92 92 SER CA C 92 58.460 59.009 -0.549 1
1 1081 . 10 1 1 A 92 92 SER CB C 92 64.180 63.427 0.753 1
1 1082 . 10 1 1 A 92 92 SER N N 92 124.170 120.848 3.322 1
1 1083 . 10 1 1 A 93 93 GLU H H 93 8.912 8.871 0.041 1
1 1084 . 10 1 1 A 93 93 GLU HA H 93 3.939 3.932 0.007 1
1 1089 . 10 1 1 A 93 93 GLU C C 93 178.144 177.959 0.185 1
1 1090 . 10 1 1 A 93 93 GLU CA C 93 60.080 59.453 0.627 1
1 1091 . 10 1 1 A 93 93 GLU CB C 93 29.960 29.344 0.616 1
1 1093 . 10 1 1 A 93 93 GLU N N 93 123.996 124.969 -0.973 1
1 1094 . 10 1 1 A 94 94 ASP H H 94 8.311 8.263 0.048 1
1 1095 . 10 1 1 A 94 94 ASP HA H 94 4.252 4.429 -0.177 1
1 1098 . 10 1 1 A 94 94 ASP C C 94 178.472 178.099 0.373 1
1 1099 . 10 1 1 A 94 94 ASP CA C 94 57.240 56.832 0.408 1
1 1100 . 10 1 1 A 94 94 ASP CB C 94 40.420 39.904 0.516 1
1 1101 . 10 1 1 A 94 94 ASP N N 94 116.432 120.320 -3.888 1
1 1102 . 10 1 1 A 95 95 ARG H H 95 7.365 7.943 -0.578 1
1 1103 . 10 1 1 A 95 95 ARG HA H 95 4.067 4.140 -0.073 1
1 1110 . 10 1 1 A 95 95 ARG C C 95 177.237 178.537 -1.300 1
1 1111 . 10 1 1 A 95 95 ARG CA C 95 58.870 58.071 0.799 1
1 1112 . 10 1 1 A 95 95 ARG CB C 95 29.100 29.795 -0.695 1
1 1115 . 10 1 1 A 95 95 ARG N N 95 121.517 120.210 1.307 1
1 1116 . 10 1 1 A 96 96 LEU H H 96 7.831 8.117 -0.286 1
1 1117 . 10 1 1 A 96 96 LEU HA H 96 3.735 3.939 -0.204 1
1 1127 . 10 1 1 A 96 96 LEU C C 96 177.855 179.297 -1.442 1
1 1128 . 10 1 1 A 96 96 LEU CA C 96 56.930 57.351 -0.421 1
1 1129 . 10 1 1 A 96 96 LEU CB C 96 41.300 40.966 0.334 1
1 1133 . 10 1 1 A 96 96 LEU N N 96 119.073 119.620 -0.547 1
1 1134 . 10 1 1 A 97 97 LYS H H 97 8.098 8.349 -0.251 1
1 1135 . 10 1 1 A 97 97 LYS HA H 97 4.014 4.339 -0.325 1
1 1144 . 10 1 1 A 97 97 LYS C C 97 178.433 178.502 -0.069 1
1 1145 . 10 1 1 A 97 97 LYS CA C 97 59.080 59.139 -0.059 1
1 1146 . 10 1 1 A 97 97 LYS CB C 97 32.830 31.959 0.871 1
1 1150 . 10 1 1 A 97 97 LYS N N 97 114.647 118.653 -4.006 1
1 1151 . 10 1 1 A 98 98 ALA H H 98 7.011 7.307 -0.296 1
1 1152 . 10 1 1 A 98 98 ALA HA H 98 4.196 4.199 -0.003 1
1 1156 . 10 1 1 A 98 98 ALA C C 98 178.814 177.857 0.957 1
1 1157 . 10 1 1 A 98 98 ALA CA C 98 54.480 53.869 0.611 1
1 1158 . 10 1 1 A 98 98 ALA CB C 98 19.380 19.229 0.151 1
1 1159 . 10 1 1 A 98 98 ALA N N 98 119.536 120.567 -1.031 1
1 1160 . 10 1 1 A 99 99 VAL H H 99 8.133 7.438 0.695 1
1 1161 . 10 1 1 A 99 99 VAL HA H 99 4.098 4.035 0.063 1
1 1169 . 10 1 1 A 99 99 VAL CA C 99 58.260 59.400 -1.140 1
1 1170 . 10 1 1 A 99 99 VAL CB C 99 32.530 32.710 -0.180 1
1 1173 . 10 1 1 A 99 99 VAL N N 99 114.735 115.363 -0.628 1
1 1174 . 10 1 1 A 100 100 PRO HA H 100 4.761 4.481 0.280 1
1 1181 . 10 1 1 A 100 100 PRO C C 100 175.437 177.004 -1.567 1
1 1182 . 10 1 1 A 100 100 PRO CA C 100 65.370 64.066 1.304 1
1 1183 . 10 1 1 A 100 100 PRO CB C 100 31.190 31.851 -0.661 1
1 1186 . 10 1 1 A 101 101 TYR H H 101 6.053 7.607 -1.554 1
1 1187 . 10 1 1 A 101 101 TYR HA H 101 4.463 4.710 -0.247 1
1 1194 . 10 1 1 A 101 101 TYR C C 101 175.871 174.306 1.565 1
1 1195 . 10 1 1 A 101 101 TYR CA C 101 53.920 57.000 -3.080 1
1 1196 . 10 1 1 A 101 101 TYR CB C 101 38.230 38.503 -0.273 1
1 1199 . 10 1 1 A 101 101 TYR N N 101 108.211 115.338 -7.127 1
1 1200 . 10 1 1 A 102 102 THR H H 102 7.466 7.743 -0.277 1
1 1201 . 10 1 1 A 102 102 THR HA H 102 4.384 4.778 -0.394 1
1 1206 . 10 1 1 A 102 102 THR CA C 102 60.030 57.845 2.185 1
1 1207 . 10 1 1 A 102 102 THR CB C 102 69.600 71.147 -1.547 1
1 1209 . 10 1 1 A 102 102 THR N N 102 120.556 115.403 5.153 1
1 1210 . 10 1 1 A 103 103 PRO HA H 103 4.244 4.419 -0.175 1
1 1217 . 10 1 1 A 103 103 PRO C C 103 176.344 175.828 0.516 1
1 1218 . 10 1 1 A 103 103 PRO CA C 103 62.400 63.420 -1.020 1
1 1219 . 10 1 1 A 103 103 PRO CB C 103 32.250 31.423 0.827 1
1 1222 . 10 1 1 A 104 104 PHE H H 104 7.365 6.781 0.584 1
1 1223 . 10 1 1 A 104 104 PHE HA H 104 6.207 5.024 1.183 1
1 1230 . 10 1 1 A 104 104 PHE C C 104 176.133 175.811 0.322 1
1 1231 . 10 1 1 A 104 104 PHE CA C 104 55.220 56.319 -1.099 1
1 1232 . 10 1 1 A 104 104 PHE CB C 104 44.480 41.343 3.137 1
1 1235 . 10 1 1 A 104 104 PHE N N 104 115.933 118.481 -2.548 1
1 1236 . 10 1 1 A 105 105 CYS H H 105 9.248 8.636 0.612 1
1 1237 . 10 1 1 A 105 105 CYS HA H 105 4.638 4.664 -0.026 1
1 1240 . 10 1 1 A 105 105 CYS C C 105 174.254 175.749 -1.495 1
1 1241 . 10 1 1 A 105 105 CYS CA C 105 58.060 57.969 0.091 1
1 1242 . 10 1 1 A 105 105 CYS CB C 105 31.250 29.994 1.256 1
1 1243 . 10 1 1 A 105 105 CYS N N 105 118.999 120.903 -1.904 1
1 1244 . 10 1 1 A 106 106 GLN H H 106 8.865 8.848 0.017 1
1 1245 . 10 1 1 A 106 106 GLN HA H 106 3.611 3.944 -0.333 1
1 1252 . 10 1 1 A 106 106 GLN C C 106 177.250 177.642 -0.392 1
1 1253 . 10 1 1 A 106 106 GLN CA C 106 59.430 59.179 0.251 1
1 1254 . 10 1 1 A 106 106 GLN CB C 106 28.750 28.416 0.334 1
1 1256 . 10 1 1 A 106 106 GLN N N 106 119.606 122.288 -2.682 1
1 1258 . 10 1 1 A 107 107 GLU H H 107 8.134 8.621 -0.487 1
1 1259 . 10 1 1 A 107 107 GLU HA H 107 3.959 4.096 -0.137 1
1 1264 . 10 1 1 A 107 107 GLU C C 107 179.616 179.525 0.091 1
1 1265 . 10 1 1 A 107 107 GLU CA C 107 60.110 59.010 1.100 1
1 1266 . 10 1 1 A 107 107 GLU CB C 107 29.990 29.213 0.777 1
1 1268 . 10 1 1 A 107 107 GLU N N 107 119.554 118.767 0.787 1
1 1269 . 10 1 1 A 108 108 CYS H H 108 8.681 7.969 0.712 1
1 1270 . 10 1 1 A 108 108 CYS HA H 108 3.783 4.083 -0.300 1
1 1273 . 10 1 1 A 108 108 CYS C C 108 177.868 176.980 0.888 1
1 1274 . 10 1 1 A 108 108 CYS CA C 108 64.110 63.237 0.873 1
1 1275 . 10 1 1 A 108 108 CYS CB C 108 29.270 27.042 2.228 1
1 1276 . 10 1 1 A 108 108 CYS N N 108 123.406 118.731 4.675 1
1 1277 . 10 1 1 A 109 109 ALA H H 109 8.094 8.427 -0.333 1
1 1278 . 10 1 1 A 109 109 ALA HA H 109 3.693 4.093 -0.400 1
1 1282 . 10 1 1 A 109 109 ALA C C 109 178.591 179.441 -0.850 1
1 1283 . 10 1 1 A 109 109 ALA CA C 109 53.710 54.359 -0.649 1
1 1284 . 10 1 1 A 109 109 ALA CB C 109 18.430 18.313 0.117 1
1 1285 . 10 1 1 A 109 109 ALA N N 109 120.579 122.363 -1.784 1
1 1286 . 10 1 1 A 110 110 ALA H H 110 7.402 7.525 -0.123 1
1 1287 . 10 1 1 A 110 110 ALA HA H 110 4.111 4.224 -0.113 1
1 1291 . 10 1 1 A 110 110 ALA C C 110 177.408 177.633 -0.225 1
1 1292 . 10 1 1 A 110 110 ALA CA C 110 53.000 53.580 -0.580 1
1 1293 . 10 1 1 A 110 110 ALA CB C 110 18.710 19.268 -0.558 1
1 1294 . 10 1 1 A 110 110 ALA N N 110 118.992 118.305 0.687 1
1 1295 . 10 1 1 A 111 111 ALA H H 111 7.247 7.411 -0.164 1
1 1296 . 10 1 1 A 111 111 ALA HA H 111 4.300 4.528 -0.228 1
1 1300 . 10 1 1 A 111 111 ALA C C 111 176.488 175.743 0.745 1
1 1301 . 10 1 1 A 111 111 ALA CA C 111 51.840 50.469 1.371 1
1 1302 . 10 1 1 A 111 111 ALA CB C 111 19.210 19.122 0.088 1
1 1303 . 10 1 1 A 111 111 ALA N N 111 120.857 120.162 0.695 1
1 19 . 11 1 1 A 2 2 ALA H H 2 8.460 8.761 -0.301 1
1 20 . 11 1 1 A 2 2 ALA HA H 2 4.304 5.414 -1.110 1
1 24 . 11 1 1 A 2 2 ALA C C 2 178.183 176.040 2.143 1
1 25 . 11 1 1 A 2 2 ALA CA C 2 52.760 50.962 1.798 1
1 26 . 11 1 1 A 2 2 ALA CB C 2 19.150 23.233 -4.083 1
1 27 . 11 1 1 A 2 2 ALA N N 2 125.375 124.889 0.486 1
1 28 . 11 1 1 A 3 3 GLY H H 3 8.343 8.402 -0.059 1
1 29 . 11 1 1 A 3 3 GLY N N 3 108.577 107.082 1.495 1
1 30 . 11 1 1 A 5 5 LYS HA H 5 4.355 4.322 0.033 1
1 39 . 11 1 1 A 5 5 LYS CA C 5 56.170 57.989 -1.819 1
1 40 . 11 1 1 A 5 5 LYS CB C 5 33.170 33.319 -0.149 1
1 44 . 11 1 1 A 6 6 SER HA H 6 4.429 4.618 -0.189 1
1 47 . 11 1 1 A 6 6 SER CA C 6 58.390 59.172 -0.782 1
1 48 . 11 1 1 A 6 6 SER CB C 6 64.040 62.123 1.917 1
1 49 . 11 1 1 A 7 7 MET HA H 7 4.435 4.214 0.221 1
1 57 . 11 1 1 A 7 7 MET CA C 7 55.610 58.420 -2.810 1
1 58 . 11 1 1 A 7 7 MET CB C 7 33.550 33.274 0.276 1
1 61 . 11 1 1 A 8 8 ASN HA H 8 4.837 4.422 0.415 1
1 66 . 11 1 1 A 8 8 ASN C C 8 175.910 175.370 0.540 1
1 67 . 11 1 1 A 8 8 ASN CA C 8 52.310 53.744 -1.434 1
1 68 . 11 1 1 A 8 8 ASN CB C 8 38.190 36.901 1.289 1
1 70 . 11 1 1 A 9 9 VAL H H 9 8.400 8.039 0.361 1
1 71 . 11 1 1 A 9 9 VAL HA H 9 3.908 3.970 -0.062 1
1 79 . 11 1 1 A 9 9 VAL C C 9 176.738 177.902 -1.164 1
1 80 . 11 1 1 A 9 9 VAL CA C 9 65.550 66.555 -1.005 1
1 81 . 11 1 1 A 9 9 VAL CB C 9 31.970 31.490 0.480 1
1 84 . 11 1 1 A 9 9 VAL N N 9 121.216 125.608 -4.392 1
1 85 . 11 1 1 A 10 10 GLU H H 10 8.596 8.255 0.341 1
1 86 . 11 1 1 A 10 10 GLU HA H 10 4.077 3.924 0.153 1
1 91 . 11 1 1 A 10 10 GLU C C 10 178.985 178.808 0.177 1
1 92 . 11 1 1 A 10 10 GLU CA C 10 59.390 59.961 -0.571 1
1 93 . 11 1 1 A 10 10 GLU CB C 10 29.000 29.381 -0.381 1
1 95 . 11 1 1 A 10 10 GLU N N 10 121.274 120.851 0.423 1
1 96 . 11 1 1 A 11 11 SER H H 11 7.841 7.656 0.185 1
1 97 . 11 1 1 A 11 11 SER HA H 11 4.138 4.088 0.050 1
1 100 . 11 1 1 A 11 11 SER C C 11 176.817 176.182 0.635 1
1 101 . 11 1 1 A 11 11 SER CA C 11 60.790 62.287 -1.497 1
1 102 . 11 1 1 A 11 11 SER CB C 11 62.470 62.993 -0.523 1
1 103 . 11 1 1 A 11 11 SER N N 11 115.238 117.274 -2.036 1
1 104 . 11 1 1 A 12 12 TYR H H 12 7.284 7.322 -0.038 1
1 105 . 11 1 1 A 12 12 TYR HA H 12 4.104 4.371 -0.267 1
1 112 . 11 1 1 A 12 12 TYR C C 12 177.132 178.000 -0.868 1
1 113 . 11 1 1 A 12 12 TYR CA C 12 62.060 61.150 0.910 1
1 114 . 11 1 1 A 12 12 TYR CB C 12 38.710 37.661 1.049 1
1 117 . 11 1 1 A 12 12 TYR N N 12 120.370 119.750 0.620 1
1 118 . 11 1 1 A 13 13 GLU H H 13 8.490 8.279 0.211 1
1 119 . 11 1 1 A 13 13 GLU HA H 13 3.432 3.908 -0.476 1
1 124 . 11 1 1 A 13 13 GLU C C 13 177.303 178.668 -1.365 1
1 125 . 11 1 1 A 13 13 GLU CA C 13 60.660 59.313 1.347 1
1 126 . 11 1 1 A 13 13 GLU CB C 13 29.200 28.564 0.636 1
1 128 . 11 1 1 A 13 13 GLU N N 13 120.162 120.735 -0.573 1
1 129 . 11 1 1 A 14 14 LYS H H 14 7.454 7.935 -0.481 1
1 130 . 11 1 1 A 14 14 LYS HA H 14 3.900 4.068 -0.168 1
1 139 . 11 1 1 A 14 14 LYS C C 14 178.249 178.767 -0.518 1
1 140 . 11 1 1 A 14 14 LYS CA C 14 59.620 59.016 0.604 1
1 141 . 11 1 1 A 14 14 LYS CB C 14 32.420 31.998 0.422 1
1 145 . 11 1 1 A 14 14 LYS N N 14 117.838 118.808 -0.970 1
1 146 . 11 1 1 A 15 15 ILE H H 15 7.409 7.647 -0.238 1
1 147 . 11 1 1 A 15 15 ILE HA H 15 3.822 3.962 -0.140 1
1 157 . 11 1 1 A 15 15 ILE C C 15 179.668 178.091 1.577 1
1 158 . 11 1 1 A 15 15 ILE CA C 15 65.030 63.280 1.750 1
1 159 . 11 1 1 A 15 15 ILE CB C 15 38.950 37.684 1.266 1
1 163 . 11 1 1 A 15 15 ILE N N 15 118.597 120.475 -1.878 1
1 164 . 11 1 1 A 16 16 LEU H H 16 8.407 7.968 0.439 1
1 165 . 11 1 1 A 16 16 LEU HA H 16 3.992 3.999 -0.007 1
1 175 . 11 1 1 A 16 16 LEU C C 16 178.512 179.118 -0.606 1
1 176 . 11 1 1 A 16 16 LEU CA C 16 58.230 57.830 0.400 1
1 177 . 11 1 1 A 16 16 LEU CB C 16 42.130 41.419 0.711 1
1 181 . 11 1 1 A 16 16 LEU N N 16 120.642 121.068 -0.426 1
1 182 . 11 1 1 A 17 17 ARG H H 17 8.789 8.034 0.755 1
1 183 . 11 1 1 A 17 17 ARG HA H 17 3.917 4.216 -0.299 1
1 190 . 11 1 1 A 17 17 ARG C C 17 179.602 178.889 0.713 1
1 191 . 11 1 1 A 17 17 ARG CA C 17 60.080 59.218 0.862 1
1 192 . 11 1 1 A 17 17 ARG CB C 17 29.620 29.942 -0.322 1
1 195 . 11 1 1 A 17 17 ARG N N 17 119.196 119.531 -0.335 1
1 196 . 11 1 1 A 18 18 ASP H H 18 8.638 8.278 0.360 1
1 197 . 11 1 1 A 18 18 ASP HA H 18 4.418 4.372 0.046 1
1 200 . 11 1 1 A 18 18 ASP C C 18 179.116 179.179 -0.063 1
1 201 . 11 1 1 A 18 18 ASP CA C 18 57.330 57.415 -0.085 1
1 202 . 11 1 1 A 18 18 ASP CB C 18 39.700 40.415 -0.715 1
1 203 . 11 1 1 A 18 18 ASP N N 18 121.383 119.950 1.433 1
1 204 . 11 1 1 A 19 19 ARG H H 19 7.947 8.061 -0.114 1
1 205 . 11 1 1 A 19 19 ARG HA H 19 4.180 4.093 0.087 1
1 212 . 11 1 1 A 19 19 ARG C C 19 177.855 178.911 -1.056 1
1 213 . 11 1 1 A 19 19 ARG CA C 19 57.680 59.277 -1.597 1
1 214 . 11 1 1 A 19 19 ARG CB C 19 29.540 29.717 -0.177 1
1 217 . 11 1 1 A 19 19 ARG N N 19 121.506 119.256 2.250 1
1 218 . 11 1 1 A 20 20 GLN H H 20 8.691 8.222 0.469 1
1 219 . 11 1 1 A 20 20 GLN HA H 20 3.589 3.885 -0.296 1
1 226 . 11 1 1 A 20 20 GLN C C 20 176.896 177.706 -0.810 1
1 227 . 11 1 1 A 20 20 GLN CA C 20 59.620 58.757 0.863 1
1 228 . 11 1 1 A 20 20 GLN CB C 20 30.020 27.993 2.027 1
1 230 . 11 1 1 A 20 20 GLN N N 20 120.162 117.986 2.176 1
1 232 . 11 1 1 A 21 21 ARG H H 21 7.959 7.585 0.374 1
1 233 . 11 1 1 A 21 21 ARG HA H 21 3.973 4.470 -0.497 1
1 240 . 11 1 1 A 21 21 ARG C C 21 178.985 179.137 -0.152 1
1 241 . 11 1 1 A 21 21 ARG CA C 21 59.800 58.525 1.275 1
1 242 . 11 1 1 A 21 21 ARG CB C 21 29.980 29.932 0.048 1
1 245 . 11 1 1 A 21 21 ARG N N 21 117.219 119.183 -1.964 1
1 246 . 11 1 1 A 22 22 GLU H H 22 7.700 8.294 -0.594 1
1 247 . 11 1 1 A 22 22 GLU HA H 22 4.076 4.160 -0.084 1
1 252 . 11 1 1 A 22 22 GLU C C 22 179.090 178.839 0.251 1
1 253 . 11 1 1 A 22 22 GLU CA C 22 58.950 59.164 -0.214 1
1 254 . 11 1 1 A 22 22 GLU CB C 22 29.580 28.619 0.961 1
1 256 . 11 1 1 A 22 22 GLU N N 22 119.703 118.251 1.452 1
1 257 . 11 1 1 A 23 23 LEU H H 23 8.264 7.707 0.557 1
1 258 . 11 1 1 A 23 23 LEU HA H 23 3.979 3.931 0.048 1
1 268 . 11 1 1 A 23 23 LEU C C 23 179.234 178.811 0.423 1
1 269 . 11 1 1 A 23 23 LEU CA C 23 57.990 57.906 0.084 1
1 270 . 11 1 1 A 23 23 LEU CB C 23 42.370 42.116 0.254 1
1 274 . 11 1 1 A 23 23 LEU N N 23 119.988 121.925 -1.937 1
1 275 . 11 1 1 A 24 24 TYR H H 24 8.688 8.201 0.487 1
1 276 . 11 1 1 A 24 24 TYR HA H 24 4.084 4.411 -0.327 1
1 283 . 11 1 1 A 24 24 TYR C C 24 178.630 178.788 -0.158 1
1 284 . 11 1 1 A 24 24 TYR CA C 24 61.670 61.465 0.205 1
1 285 . 11 1 1 A 24 24 TYR CB C 24 37.780 38.347 -0.567 1
1 288 . 11 1 1 A 24 24 TYR N N 24 119.101 117.934 1.167 1
1 289 . 11 1 1 A 25 25 ARG H H 25 7.945 8.184 -0.239 1
1 290 . 11 1 1 A 25 25 ARG HA H 25 4.043 4.170 -0.127 1
1 297 . 11 1 1 A 25 25 ARG C C 25 178.683 178.629 0.054 1
1 298 . 11 1 1 A 25 25 ARG CA C 25 59.460 59.095 0.365 1
1 299 . 11 1 1 A 25 25 ARG CB C 25 30.160 30.285 -0.125 1
1 302 . 11 1 1 A 25 25 ARG N N 25 118.297 118.229 0.068 1
1 303 . 11 1 1 A 26 26 ARG H H 26 7.726 7.606 0.120 1
1 304 . 11 1 1 A 26 26 ARG HA H 26 4.067 4.153 -0.086 1
1 311 . 11 1 1 A 26 26 ARG C C 26 177.986 178.035 -0.049 1
1 312 . 11 1 1 A 26 26 ARG CA C 26 58.300 58.698 -0.398 1
1 313 . 11 1 1 A 26 26 ARG CB C 26 30.670 30.171 0.499 1
1 316 . 11 1 1 A 26 26 ARG N N 26 118.100 119.714 -1.614 1
1 317 . 11 1 1 A 27 27 LEU H H 27 7.971 7.828 0.143 1
1 318 . 11 1 1 A 27 27 LEU HA H 27 4.095 4.485 -0.390 1
1 328 . 11 1 1 A 27 27 LEU C C 27 177.461 177.662 -0.201 1
1 329 . 11 1 1 A 27 27 LEU CA C 27 56.260 55.179 1.081 1
1 330 . 11 1 1 A 27 27 LEU CB C 27 42.260 42.730 -0.470 1
1 334 . 11 1 1 A 27 27 LEU N N 27 118.633 114.864 3.769 1
1 335 . 11 1 1 A 28 28 HIS H H 28 7.863 8.015 -0.152 1
1 336 . 11 1 1 A 28 28 HIS HA H 28 4.482 4.765 -0.283 1
1 341 . 11 1 1 A 28 28 HIS C C 28 174.741 176.119 -1.378 1
1 342 . 11 1 1 A 28 28 HIS CA C 28 56.310 56.315 -0.005 1
1 343 . 11 1 1 A 28 28 HIS CB C 28 29.300 29.344 -0.044 1
1 346 . 11 1 1 A 28 28 HIS N N 28 116.767 117.201 -0.434 1
1 347 . 11 1 1 A 29 29 LYS H H 29 7.893 8.403 -0.510 1
1 348 . 11 1 1 A 29 29 LYS HA H 29 4.172 4.226 -0.054 1
1 357 . 11 1 1 A 29 29 LYS C C 29 176.357 178.024 -1.667 1
1 358 . 11 1 1 A 29 29 LYS CA C 29 56.830 58.930 -2.100 1
1 359 . 11 1 1 A 29 29 LYS CB C 29 32.000 31.946 0.054 1
1 363 . 11 1 1 A 29 29 LYS N N 29 120.331 118.911 1.420 1
1 364 . 11 1 1 A 30 30 ILE H H 30 7.995 7.676 0.319 1
1 365 . 11 1 1 A 30 30 ILE HA H 30 4.085 3.952 0.133 1
1 375 . 11 1 1 A 30 30 ILE C C 30 176.344 177.207 -0.863 1
1 376 . 11 1 1 A 30 30 ILE CA C 30 61.440 64.314 -2.874 1
1 377 . 11 1 1 A 30 30 ILE CB C 30 39.020 37.328 1.692 1
1 381 . 11 1 1 A 30 30 ILE N N 30 120.440 116.621 3.819 1
1 382 . 11 1 1 A 31 31 GLU H H 31 8.367 8.222 0.145 1
1 383 . 11 1 1 A 31 31 GLU HA H 31 4.159 4.595 -0.436 1
1 388 . 11 1 1 A 31 31 GLU C C 31 176.265 175.651 0.614 1
1 389 . 11 1 1 A 31 31 GLU CA C 31 56.890 56.530 0.360 1
1 390 . 11 1 1 A 31 31 GLU CB C 31 30.050 31.093 -1.043 1
1 392 . 11 1 1 A 31 31 GLU N N 31 124.043 118.340 5.703 1
1 393 . 11 1 1 A 32 32 ALA H H 32 8.138 7.814 0.324 1
1 394 . 11 1 1 A 32 32 ALA HA H 32 4.175 4.819 -0.644 1
1 398 . 11 1 1 A 32 32 ALA C C 32 177.198 176.828 0.370 1
1 399 . 11 1 1 A 32 32 ALA CA C 32 52.620 50.909 1.711 1
1 400 . 11 1 1 A 32 32 ALA CB C 32 19.490 21.251 -1.761 1
1 401 . 11 1 1 A 32 32 ALA N N 32 124.170 122.499 1.671 1
1 402 . 11 1 1 A 33 33 ASP H H 33 8.157 8.622 -0.465 1
1 403 . 11 1 1 A 33 33 ASP HA H 33 4.467 4.762 -0.295 1
1 406 . 11 1 1 A 33 33 ASP C C 33 175.910 174.988 0.922 1
1 407 . 11 1 1 A 33 33 ASP CA C 33 54.500 54.633 -0.133 1
1 408 . 11 1 1 A 33 33 ASP CB C 33 40.750 41.121 -0.371 1
1 409 . 11 1 1 A 33 33 ASP N N 33 118.904 122.755 -3.851 1
1 410 . 11 1 1 A 34 34 PHE H H 34 7.884 7.950 -0.066 1
1 411 . 11 1 1 A 34 34 PHE HA H 34 4.514 4.737 -0.223 1
1 418 . 11 1 1 A 34 34 PHE C C 34 175.319 175.639 -0.320 1
1 419 . 11 1 1 A 34 34 PHE CA C 34 57.610 56.777 0.833 1
1 420 . 11 1 1 A 34 34 PHE CB C 34 39.840 38.682 1.158 1
1 423 . 11 1 1 A 34 34 PHE N N 34 119.439 119.918 -0.479 1
1 424 . 11 1 1 A 35 35 GLU H H 35 8.084 9.061 -0.977 1
1 425 . 11 1 1 A 35 35 GLU HA H 35 4.190 4.554 -0.364 1
1 430 . 11 1 1 A 35 35 GLU C C 35 175.634 176.122 -0.488 1
1 431 . 11 1 1 A 35 35 GLU CA C 35 56.140 58.028 -1.888 1
1 432 . 11 1 1 A 35 35 GLU CB C 35 30.810 31.849 -1.039 1
1 434 . 11 1 1 A 35 35 GLU N N 35 122.340 126.719 -4.379 1
1 435 . 11 1 1 A 36 36 GLU H H 36 8.172 8.100 0.072 1
1 436 . 11 1 1 A 36 36 GLU HA H 36 4.442 4.462 -0.020 1
1 441 . 11 1 1 A 36 36 GLU CA C 36 54.300 58.448 -4.148 1
1 442 . 11 1 1 A 36 36 GLU CB C 36 29.490 28.542 0.948 1
1 444 . 11 1 1 A 36 36 GLU N N 36 123.278 118.398 4.880 1
1 445 . 11 1 1 A 37 37 PRO HA H 37 4.339 4.561 -0.222 1
1 452 . 11 1 1 A 37 37 PRO C C 37 175.818 176.793 -0.975 1
1 453 . 11 1 1 A 37 37 PRO CA C 37 62.800 62.393 0.407 1
1 454 . 11 1 1 A 37 37 PRO CB C 37 31.900 33.215 -1.315 1
1 457 . 11 1 1 A 38 38 ARG H H 38 8.412 8.810 -0.398 1
1 458 . 11 1 1 A 38 38 ARG HA H 38 4.255 4.042 0.213 1
1 465 . 11 1 1 A 38 38 ARG C C 38 175.818 176.663 -0.845 1
1 466 . 11 1 1 A 38 38 ARG CA C 38 55.350 59.263 -3.913 1
1 467 . 11 1 1 A 38 38 ARG CB C 38 31.010 30.113 0.897 1
1 470 . 11 1 1 A 38 38 ARG N N 38 121.791 120.354 1.437 1
1 471 . 11 1 1 A 39 39 ASN H H 39 8.624 7.812 0.812 1
1 472 . 11 1 1 A 39 39 ASN HA H 39 4.906 4.910 -0.004 1
1 477 . 11 1 1 A 39 39 ASN CA C 39 51.100 51.590 -0.490 1
1 478 . 11 1 1 A 39 39 ASN CB C 39 38.560 38.289 0.271 1
1 479 . 11 1 1 A 39 39 ASN N N 39 121.594 116.931 4.663 1
1 481 . 11 1 1 A 40 40 PRO HA H 40 4.310 4.353 -0.043 1
1 488 . 11 1 1 A 40 40 PRO C C 40 176.896 177.477 -0.581 1
1 489 . 11 1 1 A 40 40 PRO CA C 40 63.970 64.314 -0.344 1
1 490 . 11 1 1 A 40 40 PRO CB C 40 32.210 32.055 0.155 1
1 493 . 11 1 1 A 41 41 ASP H H 41 8.219 8.156 0.063 1
1 494 . 11 1 1 A 41 41 ASP HA H 41 4.516 4.610 -0.094 1
1 497 . 11 1 1 A 41 41 ASP C C 41 176.252 175.496 0.756 1
1 498 . 11 1 1 A 41 41 ASP CA C 41 54.740 56.121 -1.381 1
1 499 . 11 1 1 A 41 41 ASP CB C 41 41.100 40.491 0.609 1
1 500 . 11 1 1 A 41 41 ASP N N 41 118.818 119.629 -0.811 1
1 501 . 11 1 1 A 42 42 ASP H H 42 7.949 8.246 -0.297 1
1 502 . 11 1 1 A 42 42 ASP HA H 42 4.516 4.540 -0.024 1
1 505 . 11 1 1 A 42 42 ASP C C 42 176.567 176.597 -0.030 1
1 506 . 11 1 1 A 42 42 ASP CA C 42 54.910 55.010 -0.100 1
1 507 . 11 1 1 A 42 42 ASP CB C 42 41.100 41.049 0.051 1
1 508 . 11 1 1 A 42 42 ASP N N 42 120.104 116.779 3.325 1
1 509 . 11 1 1 A 43 43 GLU H H 43 8.179 8.676 -0.497 1
1 510 . 11 1 1 A 43 43 GLU HA H 43 4.153 4.095 0.058 1
1 515 . 11 1 1 A 43 43 GLU C C 43 176.488 176.812 -0.324 1
1 516 . 11 1 1 A 43 43 GLU CA C 43 57.070 59.378 -2.308 1
1 517 . 11 1 1 A 43 43 GLU CB C 43 30.430 29.963 0.467 1
1 519 . 11 1 1 A 43 43 GLU N N 43 121.153 123.886 -2.733 1
1 520 . 11 1 1 A 44 44 ASP H H 44 8.325 7.992 0.333 1
1 521 . 11 1 1 A 44 44 ASP HA H 44 4.517 4.651 -0.134 1
1 524 . 11 1 1 A 44 44 ASP C C 44 176.462 175.800 0.662 1
1 525 . 11 1 1 A 44 44 ASP CA C 44 54.360 54.430 -0.070 1
1 526 . 11 1 1 A 44 44 ASP CB C 44 41.030 42.059 -1.029 1
1 527 . 11 1 1 A 44 44 ASP N N 44 121.100 118.726 2.374 1
1 528 . 11 1 1 A 45 45 ARG H H 45 8.106 8.480 -0.374 1
1 529 . 11 1 1 A 45 45 ARG HA H 45 4.252 4.590 -0.338 1
1 536 . 11 1 1 A 45 45 ARG C C 45 176.475 174.862 1.613 1
1 537 . 11 1 1 A 45 45 ARG CA C 45 56.000 55.995 0.005 1
1 538 . 11 1 1 A 45 45 ARG CB C 45 30.360 29.798 0.562 1
1 541 . 11 1 1 A 45 45 ARG N N 45 121.258 126.506 -5.248 1
1 542 . 11 1 1 A 46 46 ALA H H 46 8.235 8.369 -0.134 1
1 543 . 11 1 1 A 46 46 ALA HA H 46 4.220 4.424 -0.204 1
1 547 . 11 1 1 A 46 46 ALA C C 46 178.196 176.777 1.419 1
1 548 . 11 1 1 A 46 46 ALA CA C 46 53.070 52.493 0.577 1
1 549 . 11 1 1 A 46 46 ALA CB C 46 18.840 18.996 -0.156 1
1 550 . 11 1 1 A 46 46 ALA N N 46 124.506 129.849 -5.343 1
1 551 . 11 1 1 A 47 47 SER H H 47 8.150 8.713 -0.563 1
1 552 . 11 1 1 A 47 47 SER HA H 47 4.331 4.561 -0.230 1
1 555 . 11 1 1 A 47 47 SER C C 47 174.727 174.847 -0.120 1
1 556 . 11 1 1 A 47 47 SER CA C 47 58.820 59.121 -0.301 1
1 557 . 11 1 1 A 47 47 SER CB C 47 63.520 64.675 -1.155 1
1 558 . 11 1 1 A 47 47 SER N N 47 114.398 117.362 -2.964 1
1 559 . 11 1 1 A 48 48 GLU H H 48 8.235 7.975 0.260 1
1 560 . 11 1 1 A 48 48 GLU HA H 48 4.244 4.060 0.184 1
1 565 . 11 1 1 A 48 48 GLU C C 48 176.396 175.363 1.033 1
1 566 . 11 1 1 A 48 48 GLU CA C 48 56.550 58.400 -1.850 1
1 567 . 11 1 1 A 48 48 GLU CB C 48 30.330 28.291 2.039 1
1 569 . 11 1 1 A 48 48 GLU N N 48 122.340 118.735 3.605 1
1 570 . 11 1 1 A 49 49 ARG H H 49 8.174 8.811 -0.637 1
1 571 . 11 1 1 A 49 49 ARG HA H 49 4.339 3.960 0.379 1
1 578 . 11 1 1 A 49 49 ARG C C 49 176.344 175.780 0.564 1
1 579 . 11 1 1 A 49 49 ARG CA C 49 55.900 58.204 -2.304 1
1 580 . 11 1 1 A 49 49 ARG CB C 49 30.980 28.874 2.106 1
1 583 . 11 1 1 A 49 49 ARG N N 49 121.431 118.907 2.524 1
1 584 . 11 1 1 A 50 50 SER H H 50 8.389 8.339 0.050 1
1 585 . 11 1 1 A 50 50 SER HA H 50 4.392 4.502 -0.110 1
1 588 . 11 1 1 A 50 50 SER C C 50 174.517 174.856 -0.339 1
1 589 . 11 1 1 A 50 50 SER CA C 50 58.230 58.313 -0.083 1
1 590 . 11 1 1 A 50 50 SER CB C 50 64.010 64.645 -0.635 1
1 591 . 11 1 1 A 50 50 SER N N 50 117.321 112.871 4.450 1
1 592 . 11 1 1 A 51 51 ASN H H 51 8.488 8.191 0.297 1
1 593 . 11 1 1 A 51 51 ASN HA H 51 4.657 4.563 0.094 1
1 598 . 11 1 1 A 51 51 ASN C C 51 175.122 174.895 0.227 1
1 599 . 11 1 1 A 51 51 ASN CA C 51 53.780 53.986 -0.206 1
1 600 . 11 1 1 A 51 51 ASN CB C 51 38.770 37.258 1.512 1
1 601 . 11 1 1 A 51 51 ASN N N 51 120.903 115.160 5.743 1
1 603 . 11 1 1 A 52 52 ASP H H 52 8.231 8.419 -0.188 1
1 604 . 11 1 1 A 52 52 ASP HA H 52 4.517 4.434 0.083 1
1 607 . 11 1 1 A 52 52 ASP C C 52 176.291 176.756 -0.465 1
1 608 . 11 1 1 A 52 52 ASP CA C 52 54.500 57.073 -2.573 1
1 609 . 11 1 1 A 52 52 ASP CB C 52 41.170 40.917 0.253 1
1 610 . 11 1 1 A 52 52 ASP N N 52 120.236 124.674 -4.438 1
1 611 . 11 1 1 A 53 53 GLU H H 53 8.139 7.483 0.656 1
1 612 . 11 1 1 A 53 53 GLU HA H 53 4.194 4.359 -0.165 1
1 617 . 11 1 1 A 53 53 GLU C C 53 176.606 177.098 -0.492 1
1 618 . 11 1 1 A 53 53 GLU CA C 53 56.930 56.463 0.467 1
1 619 . 11 1 1 A 53 53 GLU CB C 53 30.500 30.099 0.401 1
1 621 . 11 1 1 A 53 53 GLU N N 53 120.655 118.728 1.927 1
1 622 . 11 1 1 A 54 54 VAL H H 54 8.061 8.892 -0.831 1
1 623 . 11 1 1 A 54 54 VAL HA H 54 3.978 3.813 0.165 1
1 631 . 11 1 1 A 54 54 VAL C C 54 176.278 176.263 0.015 1
1 632 . 11 1 1 A 54 54 VAL CA C 54 62.880 65.620 -2.740 1
1 633 . 11 1 1 A 54 54 VAL CB C 54 32.660 32.358 0.302 1
1 636 . 11 1 1 A 54 54 VAL N N 54 121.320 125.407 -4.087 1
1 637 . 11 1 1 A 55 55 LEU H H 55 8.209 8.018 0.191 1
1 638 . 11 1 1 A 55 55 LEU HA H 55 4.273 4.048 0.225 1
1 648 . 11 1 1 A 55 55 LEU C C 55 177.355 176.378 0.977 1
1 649 . 11 1 1 A 55 55 LEU CA C 55 55.290 55.615 -0.325 1
1 650 . 11 1 1 A 55 55 LEU CB C 55 42.190 40.732 1.458 1
1 654 . 11 1 1 A 55 55 LEU N N 55 125.139 121.921 3.218 1
1 655 . 11 1 1 A 56 56 ASP H H 56 8.204 8.572 -0.368 1
1 656 . 11 1 1 A 56 56 ASP HA H 56 4.516 4.518 -0.002 1
1 659 . 11 1 1 A 56 56 ASP C C 56 176.633 178.305 -1.672 1
1 660 . 11 1 1 A 56 56 ASP CA C 56 54.360 56.311 -1.951 1
1 661 . 11 1 1 A 56 56 ASP CB C 56 41.070 40.476 0.594 1
1 662 . 11 1 1 A 56 56 ASP N N 56 121.154 126.803 -5.649 1
1 663 . 11 1 1 A 57 57 GLU H H 57 8.316 7.816 0.500 1
1 664 . 11 1 1 A 57 57 GLU HA H 57 4.164 4.031 0.133 1
1 669 . 11 1 1 A 57 57 GLU C C 57 177.158 178.247 -1.089 1
1 670 . 11 1 1 A 57 57 GLU CA C 57 57.650 59.221 -1.571 1
1 671 . 11 1 1 A 57 57 GLU CB C 57 30.020 29.586 0.434 1
1 673 . 11 1 1 A 57 57 GLU N N 57 120.771 120.662 0.109 1
1 674 . 11 1 1 A 58 58 LEU H H 58 8.204 7.951 0.253 1
1 675 . 11 1 1 A 58 58 LEU HA H 58 4.231 4.280 -0.049 1
1 685 . 11 1 1 A 58 58 LEU C C 58 178.538 176.727 1.811 1
1 686 . 11 1 1 A 58 58 LEU CA C 58 55.690 56.981 -1.291 1
1 687 . 11 1 1 A 58 58 LEU CB C 58 42.230 40.819 1.411 1
1 691 . 11 1 1 A 58 58 LEU N N 58 120.716 119.503 1.213 1
1 692 . 11 1 1 A 59 59 GLY H H 59 8.212 7.012 1.200 1
1 693 . 11 1 1 A 59 59 GLY HA2 H 59 3.917 4.146 -0.229 1
1 694 . 11 1 1 A 59 59 GLY HA3 H 59 3.917 4.151 -0.234 1
1 695 . 11 1 1 A 59 59 GLY C C 59 174.294 174.491 -0.197 1
1 696 . 11 1 1 A 59 59 GLY CA C 59 45.550 45.581 -0.031 1
1 697 . 11 1 1 A 59 59 GLY N N 59 108.670 103.778 4.892 1
1 698 . 11 1 1 A 60 60 GLN H H 60 8.310 9.049 -0.739 1
1 699 . 11 1 1 A 60 60 GLN HA H 60 4.079 4.032 0.047 1
1 706 . 11 1 1 A 60 60 GLN C C 60 177.171 177.665 -0.494 1
1 707 . 11 1 1 A 60 60 GLN CA C 60 57.590 58.836 -1.246 1
1 708 . 11 1 1 A 60 60 GLN CB C 60 28.960 28.149 0.811 1
1 710 . 11 1 1 A 60 60 GLN N N 60 120.662 125.024 -4.362 1
1 712 . 11 1 1 A 61 61 VAL H H 61 8.136 7.980 0.156 1
1 713 . 11 1 1 A 61 61 VAL HA H 61 3.971 3.615 0.356 1
1 721 . 11 1 1 A 61 61 VAL C C 61 178.262 178.180 0.082 1
1 722 . 11 1 1 A 61 61 VAL CA C 61 64.420 65.729 -1.309 1
1 723 . 11 1 1 A 61 61 VAL CB C 61 32.110 31.580 0.530 1
1 726 . 11 1 1 A 61 61 VAL N N 61 119.154 120.084 -0.930 1
1 727 . 11 1 1 A 62 62 GLY H H 62 8.183 8.363 -0.180 1
1 728 . 11 1 1 A 62 62 GLY HA2 H 62 3.966 3.694 0.272 1
1 729 . 11 1 1 A 62 62 GLY HA3 H 62 3.783 3.707 0.076 1
1 730 . 11 1 1 A 62 62 GLY C C 62 174.872 175.983 -1.111 1
1 731 . 11 1 1 A 62 62 GLY CA C 62 46.780 47.186 -0.406 1
1 732 . 11 1 1 A 62 62 GLY N N 62 110.813 107.412 3.401 1
1 733 . 11 1 1 A 63 63 GLN H H 63 8.235 7.786 0.449 1
1 734 . 11 1 1 A 63 63 GLN HA H 63 3.966 4.001 -0.035 1
1 741 . 11 1 1 A 63 63 GLN C C 63 178.170 178.300 -0.130 1
1 742 . 11 1 1 A 63 63 GLN CA C 63 58.990 58.758 0.232 1
1 743 . 11 1 1 A 63 63 GLN CB C 63 28.500 28.375 0.125 1
1 745 . 11 1 1 A 63 63 GLN N N 63 120.667 121.762 -1.095 1
1 747 . 11 1 1 A 64 64 ASP H H 64 8.386 8.236 0.150 1
1 748 . 11 1 1 A 64 64 ASP HA H 64 4.347 4.394 -0.047 1
1 751 . 11 1 1 A 64 64 ASP C C 64 178.669 178.568 0.101 1
1 752 . 11 1 1 A 64 64 ASP CA C 64 56.860 56.901 -0.041 1
1 753 . 11 1 1 A 64 64 ASP CB C 64 39.970 40.208 -0.238 1
1 754 . 11 1 1 A 64 64 ASP N N 64 120.058 120.540 -0.482 1
1 755 . 11 1 1 A 65 65 GLU H H 65 7.992 8.099 -0.107 1
1 756 . 11 1 1 A 65 65 GLU HA H 65 3.542 4.096 -0.554 1
1 761 . 11 1 1 A 65 65 GLU C C 65 177.842 178.868 -1.026 1
1 762 . 11 1 1 A 65 65 GLU CA C 65 59.560 58.859 0.701 1
1 763 . 11 1 1 A 65 65 GLU CB C 65 29.100 29.377 -0.277 1
1 765 . 11 1 1 A 65 65 GLU N N 65 123.846 119.796 4.050 1
1 766 . 11 1 1 A 66 66 LEU H H 66 8.100 8.279 -0.179 1
1 767 . 11 1 1 A 66 66 LEU HA H 66 3.783 3.747 0.036 1
1 777 . 11 1 1 A 66 66 LEU C C 66 178.893 179.000 -0.107 1
1 778 . 11 1 1 A 66 66 LEU CA C 66 58.610 57.698 0.912 1
1 779 . 11 1 1 A 66 66 LEU CB C 66 41.510 41.308 0.202 1
1 783 . 11 1 1 A 66 66 LEU N N 66 119.444 120.687 -1.243 1
1 784 . 11 1 1 A 67 67 ARG H H 67 7.870 8.148 -0.278 1
1 785 . 11 1 1 A 67 67 ARG HA H 67 4.095 3.929 0.166 1
1 792 . 11 1 1 A 67 67 ARG C C 67 179.484 178.061 1.423 1
1 793 . 11 1 1 A 67 67 ARG CA C 67 59.490 59.638 -0.148 1
1 794 . 11 1 1 A 67 67 ARG CB C 67 30.230 29.833 0.397 1
1 797 . 11 1 1 A 67 67 ARG N N 67 118.088 119.706 -1.618 1
1 798 . 11 1 1 A 68 68 ALA H H 68 7.820 7.578 0.242 1
1 799 . 11 1 1 A 68 68 ALA HA H 68 4.188 4.064 0.124 1
1 803 . 11 1 1 A 68 68 ALA C C 68 181.626 180.306 1.320 1
1 804 . 11 1 1 A 68 68 ALA CA C 68 54.840 54.864 -0.024 1
1 805 . 11 1 1 A 68 68 ALA CB C 68 18.400 18.636 -0.236 1
1 806 . 11 1 1 A 68 68 ALA N N 68 123.318 121.154 2.164 1
1 807 . 11 1 1 A 69 69 ILE H H 69 8.643 7.781 0.862 1
1 808 . 11 1 1 A 69 69 ILE HA H 69 3.539 3.733 -0.194 1
1 818 . 11 1 1 A 69 69 ILE C C 69 177.290 177.854 -0.564 1
1 819 . 11 1 1 A 69 69 ILE CA C 69 66.370 65.382 0.988 1
1 820 . 11 1 1 A 69 69 ILE CB C 69 38.090 38.091 -0.001 1
1 824 . 11 1 1 A 69 69 ILE N N 69 122.954 119.064 3.890 1
1 825 . 11 1 1 A 70 70 ASP H H 70 8.415 8.348 0.067 1
1 826 . 11 1 1 A 70 70 ASP HA H 70 4.336 4.443 -0.107 1
1 829 . 11 1 1 A 70 70 ASP C C 70 179.786 178.909 0.877 1
1 830 . 11 1 1 A 70 70 ASP CA C 70 58.130 56.544 1.586 1
1 831 . 11 1 1 A 70 70 ASP CB C 70 40.310 40.354 -0.044 1
1 832 . 11 1 1 A 70 70 ASP N N 70 121.571 119.313 2.258 1
1 833 . 11 1 1 A 71 71 ALA H H 71 7.869 7.878 -0.009 1
1 834 . 11 1 1 A 71 71 ALA HA H 71 4.215 4.155 0.060 1
1 838 . 11 1 1 A 71 71 ALA C C 71 180.246 179.583 0.663 1
1 839 . 11 1 1 A 71 71 ALA CA C 71 54.500 55.042 -0.542 1
1 840 . 11 1 1 A 71 71 ALA CB C 71 17.680 18.297 -0.617 1
1 841 . 11 1 1 A 71 71 ALA N N 71 121.459 122.847 -1.388 1
1 842 . 11 1 1 A 72 72 ALA H H 72 8.263 7.803 0.460 1
1 843 . 11 1 1 A 72 72 ALA HA H 72 4.045 4.431 -0.386 1
1 847 . 11 1 1 A 72 72 ALA C C 72 179.668 180.083 -0.415 1
1 848 . 11 1 1 A 72 72 ALA CA C 72 55.560 55.064 0.496 1
1 849 . 11 1 1 A 72 72 ALA CB C 72 19.870 18.470 1.400 1
1 850 . 11 1 1 A 72 72 ALA N N 72 123.378 120.956 2.422 1
1 851 . 11 1 1 A 73 73 LEU H H 73 8.790 8.269 0.521 1
1 852 . 11 1 1 A 73 73 LEU HA H 73 3.920 3.927 -0.007 1
1 862 . 11 1 1 A 73 73 LEU C C 73 180.286 179.031 1.255 1
1 863 . 11 1 1 A 73 73 LEU CA C 73 58.130 57.602 0.528 1
1 864 . 11 1 1 A 73 73 LEU CB C 73 41.200 41.520 -0.320 1
1 868 . 11 1 1 A 73 73 LEU N N 73 119.015 119.093 -0.078 1
1 869 . 11 1 1 A 74 74 ALA H H 74 7.931 8.312 -0.381 1
1 870 . 11 1 1 A 74 74 ALA HA H 74 4.273 3.988 0.285 1
1 874 . 11 1 1 A 74 74 ALA C C 74 180.811 179.463 1.348 1
1 875 . 11 1 1 A 74 74 ALA CA C 74 54.960 55.387 -0.427 1
1 876 . 11 1 1 A 74 74 ALA CB C 74 17.690 18.304 -0.614 1
1 877 . 11 1 1 A 74 74 ALA N N 74 124.135 121.823 2.312 1
1 878 . 11 1 1 A 75 75 ARG H H 75 7.898 7.564 0.334 1
1 879 . 11 1 1 A 75 75 ARG HA H 75 4.138 4.165 -0.027 1
1 886 . 11 1 1 A 75 75 ARG C C 75 179.721 179.042 0.679 1
1 887 . 11 1 1 A 75 75 ARG CA C 75 60.170 58.478 1.692 1
1 888 . 11 1 1 A 75 75 ARG CB C 75 29.970 30.244 -0.274 1
1 891 . 11 1 1 A 75 75 ARG N N 75 120.143 117.114 3.029 1
1 892 . 11 1 1 A 76 76 ILE H H 76 8.061 7.914 0.147 1
1 893 . 11 1 1 A 76 76 ILE HA H 76 3.697 3.798 -0.101 1
1 903 . 11 1 1 A 76 76 ILE C C 76 179.392 178.104 1.288 1
1 904 . 11 1 1 A 76 76 ILE CA C 76 66.060 65.413 0.647 1
1 905 . 11 1 1 A 76 76 ILE CB C 76 37.240 37.718 -0.478 1
1 909 . 11 1 1 A 76 76 ILE N N 76 121.537 121.324 0.213 1
1 910 . 11 1 1 A 77 77 ALA H H 77 7.735 8.076 -0.341 1
1 911 . 11 1 1 A 77 77 ALA HA H 77 4.132 4.070 0.062 1
1 915 . 11 1 1 A 77 77 ALA C C 77 179.326 180.179 -0.853 1
1 916 . 11 1 1 A 77 77 ALA CA C 77 54.910 55.251 -0.341 1
1 917 . 11 1 1 A 77 77 ALA CB C 77 17.950 18.089 -0.139 1
1 918 . 11 1 1 A 77 77 ALA N N 77 122.664 122.637 0.027 1
1 919 . 11 1 1 A 78 78 SER H H 78 7.999 7.595 0.404 1
1 920 . 11 1 1 A 78 78 SER HA H 78 4.472 4.519 -0.047 1
1 923 . 11 1 1 A 78 78 SER C C 78 174.675 174.807 -0.132 1
1 924 . 11 1 1 A 78 78 SER CA C 78 59.260 58.630 0.630 1
1 925 . 11 1 1 A 78 78 SER CB C 78 64.070 63.725 0.345 1
1 926 . 11 1 1 A 78 78 SER N N 78 111.061 110.884 0.177 1
1 927 . 11 1 1 A 79 79 GLY H H 79 7.844 7.787 0.057 1
1 928 . 11 1 1 A 79 79 GLY HA2 H 79 4.233 3.969 0.264 1
1 929 . 11 1 1 A 79 79 GLY HA3 H 79 4.087 3.986 0.101 1
1 930 . 11 1 1 A 79 79 GLY C C 79 175.687 174.087 1.600 1
1 931 . 11 1 1 A 79 79 GLY CA C 79 46.470 45.807 0.663 1
1 932 . 11 1 1 A 79 79 GLY N N 79 109.909 109.049 0.860 1
1 933 . 11 1 1 A 80 80 THR H H 80 8.408 7.855 0.553 1
1 934 . 11 1 1 A 80 80 THR HA H 80 4.504 4.551 -0.047 1
1 939 . 11 1 1 A 80 80 THR C C 80 174.793 174.057 0.736 1
1 940 . 11 1 1 A 80 80 THR CA C 80 60.280 61.036 -0.756 1
1 941 . 11 1 1 A 80 80 THR CB C 80 69.000 69.251 -0.251 1
1 943 . 11 1 1 A 80 80 THR N N 80 109.416 115.860 -6.444 1
1 944 . 11 1 1 A 81 81 PHE H H 81 7.610 7.430 0.180 1
1 945 . 11 1 1 A 81 81 PHE HA H 81 3.944 4.265 -0.321 1
1 950 . 11 1 1 A 81 81 PHE C C 81 176.462 176.835 -0.373 1
1 951 . 11 1 1 A 81 81 PHE CA C 81 59.940 59.845 0.095 1
1 952 . 11 1 1 A 81 81 PHE CB C 81 39.700 38.785 0.915 1
1 954 . 11 1 1 A 81 81 PHE N N 81 123.672 123.539 0.133 1
1 955 . 11 1 1 A 82 82 GLY H H 82 8.827 8.196 0.631 1
1 956 . 11 1 1 A 82 82 GLY HA2 H 82 4.000 3.354 0.646 1
1 957 . 11 1 1 A 82 82 GLY HA3 H 82 2.606 3.524 -0.918 1
1 958 . 11 1 1 A 82 82 GLY C C 82 172.388 174.109 -1.721 1
1 959 . 11 1 1 A 82 82 GLY CA C 82 44.590 46.506 -1.916 1
1 960 . 11 1 1 A 82 82 GLY N N 82 115.493 113.624 1.869 1
1 961 . 11 1 1 A 83 83 THR H H 83 7.265 7.541 -0.276 1
1 962 . 11 1 1 A 83 83 THR HA H 83 4.418 4.611 -0.193 1
1 967 . 11 1 1 A 83 83 THR C C 83 173.808 173.002 0.806 1
1 968 . 11 1 1 A 83 83 THR CA C 83 61.180 61.255 -0.075 1
1 969 . 11 1 1 A 83 83 THR CB C 83 70.020 71.013 -0.993 1
1 971 . 11 1 1 A 83 83 THR N N 83 115.366 113.898 1.468 1
1 972 . 11 1 1 A 84 84 CYS H H 84 9.410 8.512 0.898 1
1 973 . 11 1 1 A 84 84 CYS HA H 84 4.339 4.449 -0.110 1
1 976 . 11 1 1 A 84 84 CYS C C 84 177.986 175.475 2.511 1
1 977 . 11 1 1 A 84 84 CYS CA C 84 60.080 58.558 1.522 1
1 978 . 11 1 1 A 84 84 CYS CB C 84 30.630 27.289 3.341 1
1 979 . 11 1 1 A 84 84 CYS N N 84 131.144 125.497 5.647 1
1 980 . 11 1 1 A 85 85 VAL H H 85 8.461 8.176 0.285 1
1 981 . 11 1 1 A 85 85 VAL HA H 85 3.918 3.668 0.250 1
1 989 . 11 1 1 A 85 85 VAL C C 85 175.608 177.577 -1.969 1
1 990 . 11 1 1 A 85 85 VAL CA C 85 64.080 65.431 -1.351 1
1 991 . 11 1 1 A 85 85 VAL CB C 85 31.730 31.282 0.448 1
1 994 . 11 1 1 A 85 85 VAL N N 85 126.221 124.894 1.327 1
1 995 . 11 1 1 A 86 86 LYS H H 86 8.924 8.108 0.816 1
1 996 . 11 1 1 A 86 86 LYS HA H 86 4.496 4.172 0.324 1
1 1005 . 11 1 1 A 86 86 LYS C C 86 177.277 177.569 -0.292 1
1 1006 . 11 1 1 A 86 86 LYS CA C 86 58.500 58.989 -0.489 1
1 1007 . 11 1 1 A 86 86 LYS CB C 86 33.780 32.248 1.532 1
1 1011 . 11 1 1 A 86 86 LYS N N 86 123.551 122.129 1.422 1
1 1012 . 11 1 1 A 87 87 CYS H H 87 8.264 7.795 0.469 1
1 1013 . 11 1 1 A 87 87 CYS HA H 87 4.925 4.584 0.341 1
1 1016 . 11 1 1 A 87 87 CYS C C 87 177.211 175.441 1.770 1
1 1017 . 11 1 1 A 87 87 CYS CA C 87 58.980 59.311 -0.331 1
1 1018 . 11 1 1 A 87 87 CYS CB C 87 33.100 29.897 3.203 1
1 1019 . 11 1 1 A 87 87 CYS N N 87 117.502 115.399 2.103 1
1 1020 . 11 1 1 A 88 88 GLY H H 88 7.655 7.967 -0.312 1
1 1021 . 11 1 1 A 88 88 GLY HA2 H 88 4.159 3.942 0.217 1
1 1022 . 11 1 1 A 88 88 GLY HA3 H 88 3.729 3.944 -0.215 1
1 1023 . 11 1 1 A 88 88 GLY C C 88 173.558 174.097 -0.539 1
1 1024 . 11 1 1 A 88 88 GLY CA C 88 46.300 46.097 0.203 1
1 1025 . 11 1 1 A 88 88 GLY N N 88 111.948 110.515 1.433 1
1 1026 . 11 1 1 A 89 89 LYS H H 89 8.721 7.699 1.022 1
1 1027 . 11 1 1 A 89 89 LYS HA H 89 4.315 4.680 -0.365 1
1 1036 . 11 1 1 A 89 89 LYS C C 89 176.659 175.046 1.613 1
1 1037 . 11 1 1 A 89 89 LYS CA C 89 56.860 54.713 2.147 1
1 1038 . 11 1 1 A 89 89 LYS CB C 89 33.540 34.607 -1.067 1
1 1042 . 11 1 1 A 89 89 LYS N N 89 123.614 119.143 4.471 1
1 1043 . 11 1 1 A 90 90 ARG H H 90 8.415 8.391 0.024 1
1 1044 . 11 1 1 A 90 90 ARG HA H 90 4.299 4.528 -0.229 1
1 1051 . 11 1 1 A 90 90 ARG C C 90 176.041 175.820 0.221 1
1 1052 . 11 1 1 A 90 90 ARG CA C 90 56.030 55.360 0.670 1
1 1053 . 11 1 1 A 90 90 ARG CB C 90 29.470 31.488 -2.018 1
1 1056 . 11 1 1 A 90 90 ARG N N 90 121.880 121.536 0.344 1
1 1057 . 11 1 1 A 91 91 ILE H H 91 8.334 8.307 0.027 1
1 1058 . 11 1 1 A 91 91 ILE HA H 91 3.668 4.563 -0.895 1
1 1068 . 11 1 1 A 91 91 ILE C C 91 175.003 175.982 -0.979 1
1 1069 . 11 1 1 A 91 91 ILE CA C 91 61.810 60.145 1.665 1
1 1070 . 11 1 1 A 91 91 ILE CB C 91 38.920 39.538 -0.618 1
1 1074 . 11 1 1 A 91 91 ILE N N 91 128.410 125.087 3.323 1
1 1075 . 11 1 1 A 92 92 SER H H 92 8.551 8.694 -0.143 1
1 1076 . 11 1 1 A 92 92 SER HA H 92 4.180 4.479 -0.299 1
1 1079 . 11 1 1 A 92 92 SER C C 92 175.108 175.013 0.095 1
1 1080 . 11 1 1 A 92 92 SER CA C 92 58.460 58.745 -0.285 1
1 1081 . 11 1 1 A 92 92 SER CB C 92 64.180 63.577 0.603 1
1 1082 . 11 1 1 A 92 92 SER N N 92 124.170 120.729 3.441 1
1 1083 . 11 1 1 A 93 93 GLU H H 93 8.912 8.930 -0.018 1
1 1084 . 11 1 1 A 93 93 GLU HA H 93 3.939 3.953 -0.014 1
1 1089 . 11 1 1 A 93 93 GLU C C 93 178.144 177.886 0.258 1
1 1090 . 11 1 1 A 93 93 GLU CA C 93 60.080 59.642 0.438 1
1 1091 . 11 1 1 A 93 93 GLU CB C 93 29.960 29.320 0.640 1
1 1093 . 11 1 1 A 93 93 GLU N N 93 123.996 124.711 -0.715 1
1 1094 . 11 1 1 A 94 94 ASP H H 94 8.311 8.278 0.033 1
1 1095 . 11 1 1 A 94 94 ASP HA H 94 4.252 4.402 -0.150 1
1 1098 . 11 1 1 A 94 94 ASP C C 94 178.472 178.265 0.207 1
1 1099 . 11 1 1 A 94 94 ASP CA C 94 57.240 56.819 0.421 1
1 1100 . 11 1 1 A 94 94 ASP CB C 94 40.420 39.954 0.466 1
1 1101 . 11 1 1 A 94 94 ASP N N 94 116.432 119.604 -3.172 1
1 1102 . 11 1 1 A 95 95 ARG H H 95 7.365 7.947 -0.582 1
1 1103 . 11 1 1 A 95 95 ARG HA H 95 4.067 4.164 -0.097 1
1 1110 . 11 1 1 A 95 95 ARG C C 95 177.237 178.652 -1.415 1
1 1111 . 11 1 1 A 95 95 ARG CA C 95 58.870 57.983 0.887 1
1 1112 . 11 1 1 A 95 95 ARG CB C 95 29.100 29.815 -0.715 1
1 1115 . 11 1 1 A 95 95 ARG N N 95 121.517 120.208 1.309 1
1 1116 . 11 1 1 A 96 96 LEU H H 96 7.831 8.036 -0.205 1
1 1117 . 11 1 1 A 96 96 LEU HA H 96 3.735 3.944 -0.209 1
1 1127 . 11 1 1 A 96 96 LEU C C 96 177.855 179.433 -1.578 1
1 1128 . 11 1 1 A 96 96 LEU CA C 96 56.930 57.063 -0.133 1
1 1129 . 11 1 1 A 96 96 LEU CB C 96 41.300 40.910 0.390 1
1 1133 . 11 1 1 A 96 96 LEU N N 96 119.073 119.763 -0.690 1
1 1134 . 11 1 1 A 97 97 LYS H H 97 8.098 8.411 -0.313 1
1 1135 . 11 1 1 A 97 97 LYS HA H 97 4.014 4.325 -0.311 1
1 1144 . 11 1 1 A 97 97 LYS C C 97 178.433 178.756 -0.323 1
1 1145 . 11 1 1 A 97 97 LYS CA C 97 59.080 59.118 -0.038 1
1 1146 . 11 1 1 A 97 97 LYS CB C 97 32.830 32.099 0.731 1
1 1150 . 11 1 1 A 97 97 LYS N N 97 114.647 118.509 -3.862 1
1 1151 . 11 1 1 A 98 98 ALA H H 98 7.011 7.294 -0.283 1
1 1152 . 11 1 1 A 98 98 ALA HA H 98 4.196 4.194 0.002 1
1 1156 . 11 1 1 A 98 98 ALA C C 98 178.814 177.913 0.901 1
1 1157 . 11 1 1 A 98 98 ALA CA C 98 54.480 54.170 0.310 1
1 1158 . 11 1 1 A 98 98 ALA CB C 98 19.380 19.522 -0.142 1
1 1159 . 11 1 1 A 98 98 ALA N N 98 119.536 120.490 -0.954 1
1 1160 . 11 1 1 A 99 99 VAL H H 99 8.133 7.696 0.437 1
1 1161 . 11 1 1 A 99 99 VAL HA H 99 4.098 4.106 -0.008 1
1 1169 . 11 1 1 A 99 99 VAL CA C 99 58.260 59.081 -0.821 1
1 1170 . 11 1 1 A 99 99 VAL CB C 99 32.530 32.733 -0.203 1
1 1173 . 11 1 1 A 99 99 VAL N N 99 114.735 115.164 -0.429 1
1 1174 . 11 1 1 A 100 100 PRO HA H 100 4.761 4.414 0.347 1
1 1181 . 11 1 1 A 100 100 PRO C C 100 175.437 177.302 -1.865 1
1 1182 . 11 1 1 A 100 100 PRO CA C 100 65.370 64.809 0.561 1
1 1183 . 11 1 1 A 100 100 PRO CB C 100 31.190 32.032 -0.842 1
1 1186 . 11 1 1 A 101 101 TYR H H 101 6.053 7.819 -1.766 1
1 1187 . 11 1 1 A 101 101 TYR HA H 101 4.463 4.667 -0.204 1
1 1194 . 11 1 1 A 101 101 TYR C C 101 175.871 174.560 1.311 1
1 1195 . 11 1 1 A 101 101 TYR CA C 101 53.920 57.210 -3.290 1
1 1196 . 11 1 1 A 101 101 TYR CB C 101 38.230 38.273 -0.043 1
1 1199 . 11 1 1 A 101 101 TYR N N 101 108.211 114.758 -6.547 1
1 1200 . 11 1 1 A 102 102 THR H H 102 7.466 7.535 -0.069 1
1 1201 . 11 1 1 A 102 102 THR HA H 102 4.384 4.762 -0.378 1
1 1206 . 11 1 1 A 102 102 THR CA C 102 60.030 58.099 1.931 1
1 1207 . 11 1 1 A 102 102 THR CB C 102 69.600 70.385 -0.785 1
1 1209 . 11 1 1 A 102 102 THR N N 102 120.556 115.475 5.081 1
1 1210 . 11 1 1 A 103 103 PRO HA H 103 4.244 4.178 0.066 1
1 1217 . 11 1 1 A 103 103 PRO C C 103 176.344 176.023 0.321 1
1 1218 . 11 1 1 A 103 103 PRO CA C 103 62.400 64.871 -2.471 1
1 1219 . 11 1 1 A 103 103 PRO CB C 103 32.250 31.615 0.635 1
1 1222 . 11 1 1 A 104 104 PHE H H 104 7.365 7.442 -0.077 1
1 1223 . 11 1 1 A 104 104 PHE HA H 104 6.207 4.771 1.436 1
1 1230 . 11 1 1 A 104 104 PHE C C 104 176.133 175.317 0.816 1
1 1231 . 11 1 1 A 104 104 PHE CA C 104 55.220 57.545 -2.325 1
1 1232 . 11 1 1 A 104 104 PHE CB C 104 44.480 41.462 3.018 1
1 1235 . 11 1 1 A 104 104 PHE N N 104 115.933 117.652 -1.719 1
1 1236 . 11 1 1 A 105 105 CYS H H 105 9.248 8.573 0.675 1
1 1237 . 11 1 1 A 105 105 CYS HA H 105 4.638 4.843 -0.205 1
1 1240 . 11 1 1 A 105 105 CYS C C 105 174.254 175.243 -0.989 1
1 1241 . 11 1 1 A 105 105 CYS CA C 105 58.060 56.646 1.414 1
1 1242 . 11 1 1 A 105 105 CYS CB C 105 31.250 29.151 2.099 1
1 1243 . 11 1 1 A 105 105 CYS N N 105 118.999 118.458 0.541 1
1 1244 . 11 1 1 A 106 106 GLN H H 106 8.865 8.907 -0.042 1
1 1245 . 11 1 1 A 106 106 GLN HA H 106 3.611 3.929 -0.318 1
1 1252 . 11 1 1 A 106 106 GLN C C 106 177.250 177.679 -0.429 1
1 1253 . 11 1 1 A 106 106 GLN CA C 106 59.430 59.262 0.168 1
1 1254 . 11 1 1 A 106 106 GLN CB C 106 28.750 28.998 -0.248 1
1 1256 . 11 1 1 A 106 106 GLN N N 106 119.606 121.609 -2.003 1
1 1258 . 11 1 1 A 107 107 GLU H H 107 8.134 8.435 -0.301 1
1 1259 . 11 1 1 A 107 107 GLU HA H 107 3.959 4.084 -0.125 1
1 1264 . 11 1 1 A 107 107 GLU C C 107 179.616 178.462 1.154 1
1 1265 . 11 1 1 A 107 107 GLU CA C 107 60.110 59.492 0.618 1
1 1266 . 11 1 1 A 107 107 GLU CB C 107 29.990 29.055 0.935 1
1 1268 . 11 1 1 A 107 107 GLU N N 107 119.554 117.252 2.302 1
1 1269 . 11 1 1 A 108 108 CYS H H 108 8.681 7.939 0.742 1
1 1270 . 11 1 1 A 108 108 CYS HA H 108 3.783 4.383 -0.600 1
1 1273 . 11 1 1 A 108 108 CYS C C 108 177.868 176.482 1.386 1
1 1274 . 11 1 1 A 108 108 CYS CA C 108 64.110 62.371 1.739 1
1 1275 . 11 1 1 A 108 108 CYS CB C 108 29.270 26.730 2.540 1
1 1276 . 11 1 1 A 108 108 CYS N N 108 123.406 118.616 4.790 1
1 1277 . 11 1 1 A 109 109 ALA H H 109 8.094 7.896 0.198 1
1 1278 . 11 1 1 A 109 109 ALA HA H 109 3.693 4.079 -0.386 1
1 1282 . 11 1 1 A 109 109 ALA C C 109 178.591 179.966 -1.375 1
1 1283 . 11 1 1 A 109 109 ALA CA C 109 53.710 54.894 -1.184 1
1 1284 . 11 1 1 A 109 109 ALA CB C 109 18.430 18.460 -0.030 1
1 1285 . 11 1 1 A 109 109 ALA N N 109 120.579 122.991 -2.412 1
1 1286 . 11 1 1 A 110 110 ALA H H 110 7.402 7.856 -0.454 1
1 1287 . 11 1 1 A 110 110 ALA HA H 110 4.111 4.147 -0.036 1
1 1291 . 11 1 1 A 110 110 ALA C C 110 177.408 178.104 -0.696 1
1 1292 . 11 1 1 A 110 110 ALA CA C 110 53.000 54.011 -1.011 1
1 1293 . 11 1 1 A 110 110 ALA CB C 110 18.710 18.260 0.450 1
1 1294 . 11 1 1 A 110 110 ALA N N 110 118.992 119.884 -0.892 1
1 1295 . 11 1 1 A 111 111 ALA H H 111 7.247 7.509 -0.262 1
1 1296 . 11 1 1 A 111 111 ALA HA H 111 4.300 4.441 -0.141 1
1 1300 . 11 1 1 A 111 111 ALA C C 111 176.488 177.266 -0.778 1
1 1301 . 11 1 1 A 111 111 ALA CA C 111 51.840 51.319 0.521 1
1 1302 . 11 1 1 A 111 111 ALA CB C 111 19.210 19.050 0.160 1
1 1303 . 11 1 1 A 111 111 ALA N N 111 120.857 118.811 2.046 1
1 19 . 12 1 1 A 2 2 ALA H H 2 8.460 8.156 0.304 1
1 20 . 12 1 1 A 2 2 ALA HA H 2 4.304 4.969 -0.665 1
1 24 . 12 1 1 A 2 2 ALA C C 2 178.183 175.833 2.350 1
1 25 . 12 1 1 A 2 2 ALA CA C 2 52.760 51.658 1.102 1
1 26 . 12 1 1 A 2 2 ALA CB C 2 19.150 21.785 -2.635 1
1 27 . 12 1 1 A 2 2 ALA N N 2 125.375 126.210 -0.835 1
1 28 . 12 1 1 A 3 3 GLY H H 3 8.343 8.390 -0.047 1
1 29 . 12 1 1 A 3 3 GLY N N 3 108.577 109.460 -0.883 1
1 30 . 12 1 1 A 5 5 LYS HA H 5 4.355 4.351 0.004 1
1 39 . 12 1 1 A 5 5 LYS CA C 5 56.170 56.196 -0.026 1
1 40 . 12 1 1 A 5 5 LYS CB C 5 33.170 33.163 0.007 1
1 44 . 12 1 1 A 6 6 SER HA H 6 4.429 4.817 -0.388 1
1 47 . 12 1 1 A 6 6 SER CA C 6 58.390 57.273 1.117 1
1 48 . 12 1 1 A 6 6 SER CB C 6 64.040 65.653 -1.613 1
1 49 . 12 1 1 A 7 7 MET HA H 7 4.435 4.320 0.115 1
1 57 . 12 1 1 A 7 7 MET CA C 7 55.610 56.038 -0.428 1
1 58 . 12 1 1 A 7 7 MET CB C 7 33.550 33.677 -0.127 1
1 61 . 12 1 1 A 8 8 ASN HA H 8 4.837 4.783 0.054 1
1 66 . 12 1 1 A 8 8 ASN C C 8 175.910 174.901 1.009 1
1 67 . 12 1 1 A 8 8 ASN CA C 8 52.310 52.231 0.079 1
1 68 . 12 1 1 A 8 8 ASN CB C 8 38.190 36.152 2.038 1
1 70 . 12 1 1 A 9 9 VAL H H 9 8.400 7.989 0.411 1
1 71 . 12 1 1 A 9 9 VAL HA H 9 3.908 3.959 -0.051 1
1 79 . 12 1 1 A 9 9 VAL C C 9 176.738 178.093 -1.355 1
1 80 . 12 1 1 A 9 9 VAL CA C 9 65.550 66.779 -1.229 1
1 81 . 12 1 1 A 9 9 VAL CB C 9 31.970 31.464 0.506 1
1 84 . 12 1 1 A 9 9 VAL N N 9 121.216 122.822 -1.606 1
1 85 . 12 1 1 A 10 10 GLU H H 10 8.596 8.169 0.427 1
1 86 . 12 1 1 A 10 10 GLU HA H 10 4.077 4.009 0.068 1
1 91 . 12 1 1 A 10 10 GLU C C 10 178.985 179.048 -0.063 1
1 92 . 12 1 1 A 10 10 GLU CA C 10 59.390 59.365 0.025 1
1 93 . 12 1 1 A 10 10 GLU CB C 10 29.000 29.273 -0.273 1
1 95 . 12 1 1 A 10 10 GLU N N 10 121.274 120.552 0.722 1
1 96 . 12 1 1 A 11 11 SER H H 11 7.841 8.050 -0.209 1
1 97 . 12 1 1 A 11 11 SER HA H 11 4.138 4.148 -0.010 1
1 100 . 12 1 1 A 11 11 SER C C 11 176.817 176.311 0.506 1
1 101 . 12 1 1 A 11 11 SER CA C 11 60.790 62.180 -1.390 1
1 102 . 12 1 1 A 11 11 SER CB C 11 62.470 63.240 -0.770 1
1 103 . 12 1 1 A 11 11 SER N N 11 115.238 116.839 -1.601 1
1 104 . 12 1 1 A 12 12 TYR H H 12 7.284 7.272 0.012 1
1 105 . 12 1 1 A 12 12 TYR HA H 12 4.104 4.319 -0.215 1
1 112 . 12 1 1 A 12 12 TYR C C 12 177.132 178.225 -1.093 1
1 113 . 12 1 1 A 12 12 TYR CA C 12 62.060 61.254 0.806 1
1 114 . 12 1 1 A 12 12 TYR CB C 12 38.710 37.778 0.932 1
1 117 . 12 1 1 A 12 12 TYR N N 12 120.370 120.270 0.100 1
1 118 . 12 1 1 A 13 13 GLU H H 13 8.490 8.215 0.275 1
1 119 . 12 1 1 A 13 13 GLU HA H 13 3.432 3.870 -0.438 1
1 124 . 12 1 1 A 13 13 GLU C C 13 177.303 178.460 -1.157 1
1 125 . 12 1 1 A 13 13 GLU CA C 13 60.660 59.676 0.984 1
1 126 . 12 1 1 A 13 13 GLU CB C 13 29.200 29.093 0.107 1
1 128 . 12 1 1 A 13 13 GLU N N 13 120.162 120.001 0.161 1
1 129 . 12 1 1 A 14 14 LYS H H 14 7.454 7.784 -0.330 1
1 130 . 12 1 1 A 14 14 LYS HA H 14 3.900 4.075 -0.175 1
1 139 . 12 1 1 A 14 14 LYS C C 14 178.249 178.745 -0.496 1
1 140 . 12 1 1 A 14 14 LYS CA C 14 59.620 59.031 0.589 1
1 141 . 12 1 1 A 14 14 LYS CB C 14 32.420 32.293 0.127 1
1 145 . 12 1 1 A 14 14 LYS N N 14 117.838 118.493 -0.655 1
1 146 . 12 1 1 A 15 15 ILE H H 15 7.409 7.694 -0.285 1
1 147 . 12 1 1 A 15 15 ILE HA H 15 3.822 3.975 -0.153 1
1 157 . 12 1 1 A 15 15 ILE C C 15 179.668 178.001 1.667 1
1 158 . 12 1 1 A 15 15 ILE CA C 15 65.030 63.466 1.564 1
1 159 . 12 1 1 A 15 15 ILE CB C 15 38.950 37.723 1.227 1
1 163 . 12 1 1 A 15 15 ILE N N 15 118.597 120.825 -2.228 1
1 164 . 12 1 1 A 16 16 LEU H H 16 8.407 8.147 0.260 1
1 165 . 12 1 1 A 16 16 LEU HA H 16 3.992 3.977 0.015 1
1 175 . 12 1 1 A 16 16 LEU C C 16 178.512 179.298 -0.786 1
1 176 . 12 1 1 A 16 16 LEU CA C 16 58.230 57.927 0.303 1
1 177 . 12 1 1 A 16 16 LEU CB C 16 42.130 41.135 0.995 1
1 181 . 12 1 1 A 16 16 LEU N N 16 120.642 121.381 -0.739 1
1 182 . 12 1 1 A 17 17 ARG H H 17 8.789 7.986 0.803 1
1 183 . 12 1 1 A 17 17 ARG HA H 17 3.917 4.138 -0.221 1
1 190 . 12 1 1 A 17 17 ARG C C 17 179.602 178.717 0.885 1
1 191 . 12 1 1 A 17 17 ARG CA C 17 60.080 58.883 1.197 1
1 192 . 12 1 1 A 17 17 ARG CB C 17 29.620 29.575 0.045 1
1 195 . 12 1 1 A 17 17 ARG N N 17 119.196 119.376 -0.180 1
1 196 . 12 1 1 A 18 18 ASP H H 18 8.638 8.043 0.595 1
1 197 . 12 1 1 A 18 18 ASP HA H 18 4.418 4.416 0.002 1
1 200 . 12 1 1 A 18 18 ASP C C 18 179.116 178.746 0.370 1
1 201 . 12 1 1 A 18 18 ASP CA C 18 57.330 56.702 0.628 1
1 202 . 12 1 1 A 18 18 ASP CB C 18 39.700 40.420 -0.720 1
1 203 . 12 1 1 A 18 18 ASP N N 18 121.383 119.442 1.941 1
1 204 . 12 1 1 A 19 19 ARG H H 19 7.947 7.911 0.036 1
1 205 . 12 1 1 A 19 19 ARG HA H 19 4.180 4.097 0.083 1
1 212 . 12 1 1 A 19 19 ARG C C 19 177.855 178.917 -1.062 1
1 213 . 12 1 1 A 19 19 ARG CA C 19 57.680 59.406 -1.726 1
1 214 . 12 1 1 A 19 19 ARG CB C 19 29.540 29.750 -0.210 1
1 217 . 12 1 1 A 19 19 ARG N N 19 121.506 120.101 1.405 1
1 218 . 12 1 1 A 20 20 GLN H H 20 8.691 8.309 0.382 1
1 219 . 12 1 1 A 20 20 GLN HA H 20 3.589 4.048 -0.459 1
1 226 . 12 1 1 A 20 20 GLN C C 20 176.896 178.381 -1.485 1
1 227 . 12 1 1 A 20 20 GLN CA C 20 59.620 58.806 0.814 1
1 228 . 12 1 1 A 20 20 GLN CB C 20 30.020 27.959 2.061 1
1 230 . 12 1 1 A 20 20 GLN N N 20 120.162 118.156 2.006 1
1 232 . 12 1 1 A 21 21 ARG H H 21 7.959 7.813 0.146 1
1 233 . 12 1 1 A 21 21 ARG HA H 21 3.973 4.140 -0.167 1
1 240 . 12 1 1 A 21 21 ARG C C 21 178.985 178.868 0.117 1
1 241 . 12 1 1 A 21 21 ARG CA C 21 59.800 59.617 0.183 1
1 242 . 12 1 1 A 21 21 ARG CB C 21 29.980 30.149 -0.169 1
1 245 . 12 1 1 A 21 21 ARG N N 21 117.219 119.244 -2.025 1
1 246 . 12 1 1 A 22 22 GLU H H 22 7.700 8.039 -0.339 1
1 247 . 12 1 1 A 22 22 GLU HA H 22 4.076 4.141 -0.065 1
1 252 . 12 1 1 A 22 22 GLU C C 22 179.090 178.957 0.133 1
1 253 . 12 1 1 A 22 22 GLU CA C 22 58.950 59.256 -0.306 1
1 254 . 12 1 1 A 22 22 GLU CB C 22 29.580 28.822 0.758 1
1 256 . 12 1 1 A 22 22 GLU N N 22 119.703 118.280 1.423 1
1 257 . 12 1 1 A 23 23 LEU H H 23 8.264 7.947 0.317 1
1 258 . 12 1 1 A 23 23 LEU HA H 23 3.979 3.980 -0.001 1
1 268 . 12 1 1 A 23 23 LEU C C 23 179.234 178.702 0.532 1
1 269 . 12 1 1 A 23 23 LEU CA C 23 57.990 57.980 0.010 1
1 270 . 12 1 1 A 23 23 LEU CB C 23 42.370 42.054 0.316 1
1 274 . 12 1 1 A 23 23 LEU N N 23 119.988 121.829 -1.841 1
1 275 . 12 1 1 A 24 24 TYR H H 24 8.688 8.528 0.160 1
1 276 . 12 1 1 A 24 24 TYR HA H 24 4.084 4.412 -0.328 1
1 283 . 12 1 1 A 24 24 TYR C C 24 178.630 179.113 -0.483 1
1 284 . 12 1 1 A 24 24 TYR CA C 24 61.670 61.271 0.399 1
1 285 . 12 1 1 A 24 24 TYR CB C 24 37.780 38.092 -0.312 1
1 288 . 12 1 1 A 24 24 TYR N N 24 119.101 117.806 1.295 1
1 289 . 12 1 1 A 25 25 ARG H H 25 7.945 8.085 -0.140 1
1 290 . 12 1 1 A 25 25 ARG HA H 25 4.043 4.216 -0.173 1
1 297 . 12 1 1 A 25 25 ARG C C 25 178.683 178.155 0.528 1
1 298 . 12 1 1 A 25 25 ARG CA C 25 59.460 59.195 0.265 1
1 299 . 12 1 1 A 25 25 ARG CB C 25 30.160 29.960 0.200 1
1 302 . 12 1 1 A 25 25 ARG N N 25 118.297 118.396 -0.099 1
1 303 . 12 1 1 A 26 26 ARG H H 26 7.726 7.875 -0.149 1
1 304 . 12 1 1 A 26 26 ARG HA H 26 4.067 4.150 -0.083 1
1 311 . 12 1 1 A 26 26 ARG C C 26 177.986 177.875 0.111 1
1 312 . 12 1 1 A 26 26 ARG CA C 26 58.300 58.662 -0.362 1
1 313 . 12 1 1 A 26 26 ARG CB C 26 30.670 29.796 0.874 1
1 316 . 12 1 1 A 26 26 ARG N N 26 118.100 119.348 -1.248 1
1 317 . 12 1 1 A 27 27 LEU H H 27 7.971 7.778 0.193 1
1 318 . 12 1 1 A 27 27 LEU HA H 27 4.095 4.112 -0.017 1
1 328 . 12 1 1 A 27 27 LEU C C 27 177.461 177.757 -0.296 1
1 329 . 12 1 1 A 27 27 LEU CA C 27 56.260 57.363 -1.103 1
1 330 . 12 1 1 A 27 27 LEU CB C 27 42.260 42.023 0.237 1
1 334 . 12 1 1 A 27 27 LEU N N 27 118.633 117.344 1.289 1
1 335 . 12 1 1 A 28 28 HIS H H 28 7.863 8.018 -0.155 1
1 336 . 12 1 1 A 28 28 HIS HA H 28 4.482 4.848 -0.366 1
1 341 . 12 1 1 A 28 28 HIS C C 28 174.741 176.266 -1.525 1
1 342 . 12 1 1 A 28 28 HIS CA C 28 56.310 56.181 0.129 1
1 343 . 12 1 1 A 28 28 HIS CB C 28 29.300 29.292 0.008 1
1 346 . 12 1 1 A 28 28 HIS N N 28 116.767 117.295 -0.528 1
1 347 . 12 1 1 A 29 29 LYS H H 29 7.893 8.394 -0.501 1
1 348 . 12 1 1 A 29 29 LYS HA H 29 4.172 4.029 0.143 1
1 357 . 12 1 1 A 29 29 LYS C C 29 176.357 178.232 -1.875 1
1 358 . 12 1 1 A 29 29 LYS CA C 29 56.830 58.809 -1.979 1
1 359 . 12 1 1 A 29 29 LYS CB C 29 32.000 32.115 -0.115 1
1 363 . 12 1 1 A 29 29 LYS N N 29 120.331 118.765 1.566 1
1 364 . 12 1 1 A 30 30 ILE H H 30 7.995 7.773 0.222 1
1 365 . 12 1 1 A 30 30 ILE HA H 30 4.085 3.868 0.217 1
1 375 . 12 1 1 A 30 30 ILE C C 30 176.344 177.465 -1.121 1
1 376 . 12 1 1 A 30 30 ILE CA C 30 61.440 64.361 -2.921 1
1 377 . 12 1 1 A 30 30 ILE CB C 30 39.020 37.571 1.449 1
1 381 . 12 1 1 A 30 30 ILE N N 30 120.440 116.622 3.818 1
1 382 . 12 1 1 A 31 31 GLU H H 31 8.367 7.822 0.545 1
1 383 . 12 1 1 A 31 31 GLU HA H 31 4.159 4.454 -0.295 1
1 388 . 12 1 1 A 31 31 GLU C C 31 176.265 177.601 -1.336 1
1 389 . 12 1 1 A 31 31 GLU CA C 31 56.890 57.827 -0.937 1
1 390 . 12 1 1 A 31 31 GLU CB C 31 30.050 30.416 -0.366 1
1 392 . 12 1 1 A 31 31 GLU N N 31 124.043 120.431 3.612 1
1 393 . 12 1 1 A 32 32 ALA H H 32 8.138 7.758 0.380 1
1 394 . 12 1 1 A 32 32 ALA HA H 32 4.175 4.492 -0.317 1
1 398 . 12 1 1 A 32 32 ALA C C 32 177.198 177.707 -0.509 1
1 399 . 12 1 1 A 32 32 ALA CA C 32 52.620 51.310 1.310 1
1 400 . 12 1 1 A 32 32 ALA CB C 32 19.490 17.445 2.045 1
1 401 . 12 1 1 A 32 32 ALA N N 32 124.170 122.287 1.883 1
1 402 . 12 1 1 A 33 33 ASP H H 33 8.157 8.171 -0.014 1
1 403 . 12 1 1 A 33 33 ASP HA H 33 4.467 4.645 -0.178 1
1 406 . 12 1 1 A 33 33 ASP C C 33 175.910 176.554 -0.644 1
1 407 . 12 1 1 A 33 33 ASP CA C 33 54.500 55.603 -1.103 1
1 408 . 12 1 1 A 33 33 ASP CB C 33 40.750 41.519 -0.769 1
1 409 . 12 1 1 A 33 33 ASP N N 33 118.904 123.052 -4.148 1
1 410 . 12 1 1 A 34 34 PHE H H 34 7.884 7.747 0.137 1
1 411 . 12 1 1 A 34 34 PHE HA H 34 4.514 4.466 0.048 1
1 418 . 12 1 1 A 34 34 PHE C C 34 175.319 176.333 -1.014 1
1 419 . 12 1 1 A 34 34 PHE CA C 34 57.610 58.767 -1.157 1
1 420 . 12 1 1 A 34 34 PHE CB C 34 39.840 39.531 0.309 1
1 423 . 12 1 1 A 34 34 PHE N N 34 119.439 122.458 -3.019 1
1 424 . 12 1 1 A 35 35 GLU H H 35 8.084 8.892 -0.808 1
1 425 . 12 1 1 A 35 35 GLU HA H 35 4.190 4.127 0.063 1
1 430 . 12 1 1 A 35 35 GLU C C 35 175.634 175.930 -0.296 1
1 431 . 12 1 1 A 35 35 GLU CA C 35 56.140 57.510 -1.370 1
1 432 . 12 1 1 A 35 35 GLU CB C 35 30.810 30.452 0.358 1
1 434 . 12 1 1 A 35 35 GLU N N 35 122.340 126.980 -4.640 1
1 435 . 12 1 1 A 36 36 GLU H H 36 8.172 7.046 1.126 1
1 436 . 12 1 1 A 36 36 GLU HA H 36 4.442 3.542 0.900 1
1 441 . 12 1 1 A 36 36 GLU CA C 36 54.300 55.916 -1.616 1
1 442 . 12 1 1 A 36 36 GLU CB C 36 29.490 28.413 1.077 1
1 444 . 12 1 1 A 36 36 GLU N N 36 123.278 118.257 5.021 1
1 445 . 12 1 1 A 37 37 PRO HA H 37 4.339 4.320 0.019 1
1 452 . 12 1 1 A 37 37 PRO C C 37 175.818 176.881 -1.063 1
1 453 . 12 1 1 A 37 37 PRO CA C 37 62.800 65.955 -3.155 1
1 454 . 12 1 1 A 37 37 PRO CB C 37 31.900 31.464 0.436 1
1 457 . 12 1 1 A 38 38 ARG H H 38 8.412 8.323 0.089 1
1 458 . 12 1 1 A 38 38 ARG HA H 38 4.255 4.489 -0.234 1
1 465 . 12 1 1 A 38 38 ARG C C 38 175.818 175.067 0.751 1
1 466 . 12 1 1 A 38 38 ARG CA C 38 55.350 55.544 -0.194 1
1 467 . 12 1 1 A 38 38 ARG CB C 38 31.010 31.812 -0.802 1
1 470 . 12 1 1 A 38 38 ARG N N 38 121.791 116.236 5.555 1
1 471 . 12 1 1 A 39 39 ASN H H 39 8.624 7.592 1.032 1
1 472 . 12 1 1 A 39 39 ASN HA H 39 4.906 5.165 -0.259 1
1 477 . 12 1 1 A 39 39 ASN CA C 39 51.100 51.778 -0.678 1
1 478 . 12 1 1 A 39 39 ASN CB C 39 38.560 40.734 -2.174 1
1 479 . 12 1 1 A 39 39 ASN N N 39 121.594 115.100 6.494 1
1 481 . 12 1 1 A 40 40 PRO HA H 40 4.310 4.855 -0.545 1
1 488 . 12 1 1 A 40 40 PRO C C 40 176.896 175.698 1.198 1
1 489 . 12 1 1 A 40 40 PRO CA C 40 63.970 63.991 -0.021 1
1 490 . 12 1 1 A 40 40 PRO CB C 40 32.210 33.006 -0.796 1
1 493 . 12 1 1 A 41 41 ASP H H 41 8.219 7.672 0.547 1
1 494 . 12 1 1 A 41 41 ASP HA H 41 4.516 4.966 -0.450 1
1 497 . 12 1 1 A 41 41 ASP C C 41 176.252 174.411 1.841 1
1 498 . 12 1 1 A 41 41 ASP CA C 41 54.740 53.751 0.989 1
1 499 . 12 1 1 A 41 41 ASP CB C 41 41.100 42.909 -1.809 1
1 500 . 12 1 1 A 41 41 ASP N N 41 118.818 119.335 -0.517 1
1 501 . 12 1 1 A 42 42 ASP H H 42 7.949 8.768 -0.819 1
1 502 . 12 1 1 A 42 42 ASP HA H 42 4.516 4.840 -0.324 1
1 505 . 12 1 1 A 42 42 ASP C C 42 176.567 175.509 1.058 1
1 506 . 12 1 1 A 42 42 ASP CA C 42 54.910 53.720 1.190 1
1 507 . 12 1 1 A 42 42 ASP CB C 42 41.100 40.708 0.392 1
1 508 . 12 1 1 A 42 42 ASP N N 42 120.104 125.674 -5.570 1
1 509 . 12 1 1 A 43 43 GLU H H 43 8.179 8.123 0.056 1
1 510 . 12 1 1 A 43 43 GLU HA H 43 4.153 4.049 0.104 1
1 515 . 12 1 1 A 43 43 GLU C C 43 176.488 176.064 0.424 1
1 516 . 12 1 1 A 43 43 GLU CA C 43 57.070 57.178 -0.108 1
1 517 . 12 1 1 A 43 43 GLU CB C 43 30.430 28.015 2.415 1
1 519 . 12 1 1 A 43 43 GLU N N 43 121.153 117.160 3.993 1
1 520 . 12 1 1 A 44 44 ASP H H 44 8.325 8.164 0.161 1
1 521 . 12 1 1 A 44 44 ASP HA H 44 4.517 4.449 0.068 1
1 524 . 12 1 1 A 44 44 ASP C C 44 176.462 176.102 0.360 1
1 525 . 12 1 1 A 44 44 ASP CA C 44 54.360 54.952 -0.592 1
1 526 . 12 1 1 A 44 44 ASP CB C 44 41.030 41.051 -0.021 1
1 527 . 12 1 1 A 44 44 ASP N N 44 121.100 119.569 1.531 1
1 528 . 12 1 1 A 45 45 ARG H H 45 8.106 7.916 0.190 1
1 529 . 12 1 1 A 45 45 ARG HA H 45 4.252 4.012 0.240 1
1 536 . 12 1 1 A 45 45 ARG C C 45 176.475 175.155 1.320 1
1 537 . 12 1 1 A 45 45 ARG CA C 45 56.000 56.991 -0.991 1
1 538 . 12 1 1 A 45 45 ARG CB C 45 30.360 28.449 1.911 1
1 541 . 12 1 1 A 45 45 ARG N N 45 121.258 118.213 3.045 1
1 542 . 12 1 1 A 46 46 ALA H H 46 8.235 7.695 0.540 1
1 543 . 12 1 1 A 46 46 ALA HA H 46 4.220 4.335 -0.115 1
1 547 . 12 1 1 A 46 46 ALA C C 46 178.196 177.338 0.858 1
1 548 . 12 1 1 A 46 46 ALA CA C 46 53.070 51.574 1.496 1
1 549 . 12 1 1 A 46 46 ALA CB C 46 18.840 18.002 0.838 1
1 550 . 12 1 1 A 46 46 ALA N N 46 124.506 121.248 3.258 1
1 551 . 12 1 1 A 47 47 SER H H 47 8.150 8.132 0.018 1
1 552 . 12 1 1 A 47 47 SER HA H 47 4.331 4.624 -0.293 1
1 555 . 12 1 1 A 47 47 SER C C 47 174.727 173.378 1.349 1
1 556 . 12 1 1 A 47 47 SER CA C 47 58.820 57.684 1.136 1
1 557 . 12 1 1 A 47 47 SER CB C 47 63.520 62.365 1.155 1
1 558 . 12 1 1 A 47 47 SER N N 47 114.398 118.158 -3.760 1
1 559 . 12 1 1 A 48 48 GLU H H 48 8.235 7.850 0.385 1
1 560 . 12 1 1 A 48 48 GLU HA H 48 4.244 4.615 -0.371 1
1 565 . 12 1 1 A 48 48 GLU C C 48 176.396 174.803 1.593 1
1 566 . 12 1 1 A 48 48 GLU CA C 48 56.550 56.072 0.478 1
1 567 . 12 1 1 A 48 48 GLU CB C 48 30.330 32.342 -2.012 1
1 569 . 12 1 1 A 48 48 GLU N N 48 122.340 125.813 -3.473 1
1 570 . 12 1 1 A 49 49 ARG H H 49 8.174 8.463 -0.289 1
1 571 . 12 1 1 A 49 49 ARG HA H 49 4.339 4.461 -0.122 1
1 578 . 12 1 1 A 49 49 ARG C C 49 176.344 175.821 0.523 1
1 579 . 12 1 1 A 49 49 ARG CA C 49 55.900 55.473 0.427 1
1 580 . 12 1 1 A 49 49 ARG CB C 49 30.980 31.404 -0.424 1
1 583 . 12 1 1 A 49 49 ARG N N 49 121.431 125.482 -4.051 1
1 584 . 12 1 1 A 50 50 SER H H 50 8.389 8.946 -0.557 1
1 585 . 12 1 1 A 50 50 SER HA H 50 4.392 4.938 -0.546 1
1 588 . 12 1 1 A 50 50 SER C C 50 174.517 174.506 0.011 1
1 589 . 12 1 1 A 50 50 SER CA C 50 58.230 56.845 1.385 1
1 590 . 12 1 1 A 50 50 SER CB C 50 64.010 63.291 0.719 1
1 591 . 12 1 1 A 50 50 SER N N 50 117.321 113.394 3.927 1
1 592 . 12 1 1 A 51 51 ASN H H 51 8.488 7.963 0.525 1
1 593 . 12 1 1 A 51 51 ASN HA H 51 4.657 5.141 -0.484 1
1 598 . 12 1 1 A 51 51 ASN C C 51 175.122 174.669 0.453 1
1 599 . 12 1 1 A 51 51 ASN CA C 51 53.780 50.745 3.035 1
1 600 . 12 1 1 A 51 51 ASN CB C 51 38.770 40.135 -1.365 1
1 601 . 12 1 1 A 51 51 ASN N N 51 120.903 118.075 2.828 1
1 603 . 12 1 1 A 52 52 ASP H H 52 8.231 8.947 -0.716 1
1 604 . 12 1 1 A 52 52 ASP HA H 52 4.517 4.239 0.278 1
1 607 . 12 1 1 A 52 52 ASP C C 52 176.291 174.948 1.343 1
1 608 . 12 1 1 A 52 52 ASP CA C 52 54.500 55.145 -0.645 1
1 609 . 12 1 1 A 52 52 ASP CB C 52 41.170 40.302 0.868 1
1 610 . 12 1 1 A 52 52 ASP N N 52 120.236 119.434 0.802 1
1 611 . 12 1 1 A 53 53 GLU H H 53 8.139 8.158 -0.019 1
1 612 . 12 1 1 A 53 53 GLU HA H 53 4.194 4.535 -0.341 1
1 617 . 12 1 1 A 53 53 GLU C C 53 176.606 176.630 -0.024 1
1 618 . 12 1 1 A 53 53 GLU CA C 53 56.930 55.984 0.946 1
1 619 . 12 1 1 A 53 53 GLU CB C 53 30.500 30.756 -0.256 1
1 621 . 12 1 1 A 53 53 GLU N N 53 120.655 119.217 1.438 1
1 622 . 12 1 1 A 54 54 VAL H H 54 8.061 8.510 -0.449 1
1 623 . 12 1 1 A 54 54 VAL HA H 54 3.978 4.173 -0.195 1
1 631 . 12 1 1 A 54 54 VAL C C 54 176.278 175.366 0.912 1
1 632 . 12 1 1 A 54 54 VAL CA C 54 62.880 63.058 -0.178 1
1 633 . 12 1 1 A 54 54 VAL CB C 54 32.660 31.767 0.893 1
1 636 . 12 1 1 A 54 54 VAL N N 54 121.320 122.474 -1.154 1
1 637 . 12 1 1 A 55 55 LEU H H 55 8.209 7.212 0.997 1
1 638 . 12 1 1 A 55 55 LEU HA H 55 4.273 4.186 0.087 1
1 648 . 12 1 1 A 55 55 LEU C C 55 177.355 177.088 0.267 1
1 649 . 12 1 1 A 55 55 LEU CA C 55 55.290 55.904 -0.614 1
1 650 . 12 1 1 A 55 55 LEU CB C 55 42.190 42.937 -0.747 1
1 654 . 12 1 1 A 55 55 LEU N N 55 125.139 123.622 1.517 1
1 655 . 12 1 1 A 56 56 ASP H H 56 8.204 8.835 -0.631 1
1 656 . 12 1 1 A 56 56 ASP HA H 56 4.516 4.503 0.013 1
1 659 . 12 1 1 A 56 56 ASP C C 56 176.633 177.138 -0.505 1
1 660 . 12 1 1 A 56 56 ASP CA C 56 54.360 56.140 -1.780 1
1 661 . 12 1 1 A 56 56 ASP CB C 56 41.070 40.828 0.242 1
1 662 . 12 1 1 A 56 56 ASP N N 56 121.154 126.557 -5.403 1
1 663 . 12 1 1 A 57 57 GLU H H 57 8.316 7.989 0.327 1
1 664 . 12 1 1 A 57 57 GLU HA H 57 4.164 4.371 -0.207 1
1 669 . 12 1 1 A 57 57 GLU C C 57 177.158 176.616 0.542 1
1 670 . 12 1 1 A 57 57 GLU CA C 57 57.650 56.478 1.172 1
1 671 . 12 1 1 A 57 57 GLU CB C 57 30.020 29.948 0.072 1
1 673 . 12 1 1 A 57 57 GLU N N 57 120.771 117.559 3.212 1
1 674 . 12 1 1 A 58 58 LEU H H 58 8.204 6.913 1.291 1
1 675 . 12 1 1 A 58 58 LEU HA H 58 4.231 4.339 -0.108 1
1 685 . 12 1 1 A 58 58 LEU C C 58 178.538 177.495 1.043 1
1 686 . 12 1 1 A 58 58 LEU CA C 58 55.690 54.199 1.491 1
1 687 . 12 1 1 A 58 58 LEU CB C 58 42.230 42.474 -0.244 1
1 691 . 12 1 1 A 58 58 LEU N N 58 120.716 121.670 -0.954 1
1 692 . 12 1 1 A 59 59 GLY H H 59 8.212 8.409 -0.197 1
1 693 . 12 1 1 A 59 59 GLY HA2 H 59 3.917 4.072 -0.155 1
1 694 . 12 1 1 A 59 59 GLY HA3 H 59 3.917 4.077 -0.160 1
1 695 . 12 1 1 A 59 59 GLY C C 59 174.294 175.603 -1.309 1
1 696 . 12 1 1 A 59 59 GLY CA C 59 45.550 45.266 0.284 1
1 697 . 12 1 1 A 59 59 GLY N N 59 108.670 109.255 -0.585 1
1 698 . 12 1 1 A 60 60 GLN H H 60 8.310 8.797 -0.487 1
1 699 . 12 1 1 A 60 60 GLN HA H 60 4.079 3.846 0.233 1
1 706 . 12 1 1 A 60 60 GLN C C 60 177.171 177.474 -0.303 1
1 707 . 12 1 1 A 60 60 GLN CA C 60 57.590 58.903 -1.313 1
1 708 . 12 1 1 A 60 60 GLN CB C 60 28.960 28.469 0.491 1
1 710 . 12 1 1 A 60 60 GLN N N 60 120.662 122.586 -1.924 1
1 712 . 12 1 1 A 61 61 VAL H H 61 8.136 8.204 -0.068 1
1 713 . 12 1 1 A 61 61 VAL HA H 61 3.971 3.745 0.226 1
1 721 . 12 1 1 A 61 61 VAL C C 61 178.262 178.123 0.139 1
1 722 . 12 1 1 A 61 61 VAL CA C 61 64.420 66.308 -1.888 1
1 723 . 12 1 1 A 61 61 VAL CB C 61 32.110 31.063 1.047 1
1 726 . 12 1 1 A 61 61 VAL N N 61 119.154 118.999 0.155 1
1 727 . 12 1 1 A 62 62 GLY H H 62 8.183 8.351 -0.168 1
1 728 . 12 1 1 A 62 62 GLY HA2 H 62 3.966 3.707 0.259 1
1 729 . 12 1 1 A 62 62 GLY HA3 H 62 3.783 3.716 0.067 1
1 730 . 12 1 1 A 62 62 GLY C C 62 174.872 175.683 -0.811 1
1 731 . 12 1 1 A 62 62 GLY CA C 62 46.780 47.062 -0.282 1
1 732 . 12 1 1 A 62 62 GLY N N 62 110.813 108.431 2.382 1
1 733 . 12 1 1 A 63 63 GLN H H 63 8.235 7.965 0.270 1
1 734 . 12 1 1 A 63 63 GLN HA H 63 3.966 3.949 0.017 1
1 741 . 12 1 1 A 63 63 GLN C C 63 178.170 178.275 -0.105 1
1 742 . 12 1 1 A 63 63 GLN CA C 63 58.990 58.660 0.330 1
1 743 . 12 1 1 A 63 63 GLN CB C 63 28.500 28.684 -0.184 1
1 745 . 12 1 1 A 63 63 GLN N N 63 120.667 121.119 -0.452 1
1 747 . 12 1 1 A 64 64 ASP H H 64 8.386 8.042 0.344 1
1 748 . 12 1 1 A 64 64 ASP HA H 64 4.347 4.347 0.000 1
1 751 . 12 1 1 A 64 64 ASP C C 64 178.669 178.920 -0.251 1
1 752 . 12 1 1 A 64 64 ASP CA C 64 56.860 57.534 -0.674 1
1 753 . 12 1 1 A 64 64 ASP CB C 64 39.970 41.389 -1.419 1
1 754 . 12 1 1 A 64 64 ASP N N 64 120.058 119.755 0.303 1
1 755 . 12 1 1 A 65 65 GLU H H 65 7.992 7.833 0.159 1
1 756 . 12 1 1 A 65 65 GLU HA H 65 3.542 4.133 -0.591 1
1 761 . 12 1 1 A 65 65 GLU C C 65 177.842 179.120 -1.278 1
1 762 . 12 1 1 A 65 65 GLU CA C 65 59.560 58.672 0.888 1
1 763 . 12 1 1 A 65 65 GLU CB C 65 29.100 28.747 0.353 1
1 765 . 12 1 1 A 65 65 GLU N N 65 123.846 119.630 4.216 1
1 766 . 12 1 1 A 66 66 LEU H H 66 8.100 8.069 0.031 1
1 767 . 12 1 1 A 66 66 LEU HA H 66 3.783 3.806 -0.023 1
1 777 . 12 1 1 A 66 66 LEU C C 66 178.893 178.863 0.030 1
1 778 . 12 1 1 A 66 66 LEU CA C 66 58.610 57.815 0.795 1
1 779 . 12 1 1 A 66 66 LEU CB C 66 41.510 41.474 0.036 1
1 783 . 12 1 1 A 66 66 LEU N N 66 119.444 120.770 -1.326 1
1 784 . 12 1 1 A 67 67 ARG H H 67 7.870 8.162 -0.292 1
1 785 . 12 1 1 A 67 67 ARG HA H 67 4.095 3.848 0.247 1
1 792 . 12 1 1 A 67 67 ARG C C 67 179.484 178.213 1.271 1
1 793 . 12 1 1 A 67 67 ARG CA C 67 59.490 59.599 -0.109 1
1 794 . 12 1 1 A 67 67 ARG CB C 67 30.230 30.036 0.194 1
1 797 . 12 1 1 A 67 67 ARG N N 67 118.088 119.568 -1.480 1
1 798 . 12 1 1 A 68 68 ALA H H 68 7.820 7.552 0.268 1
1 799 . 12 1 1 A 68 68 ALA HA H 68 4.188 4.050 0.138 1
1 803 . 12 1 1 A 68 68 ALA C C 68 181.626 180.353 1.273 1
1 804 . 12 1 1 A 68 68 ALA CA C 68 54.840 54.797 0.043 1
1 805 . 12 1 1 A 68 68 ALA CB C 68 18.400 18.426 -0.026 1
1 806 . 12 1 1 A 68 68 ALA N N 68 123.318 121.194 2.124 1
1 807 . 12 1 1 A 69 69 ILE H H 69 8.643 7.817 0.826 1
1 808 . 12 1 1 A 69 69 ILE HA H 69 3.539 3.743 -0.204 1
1 818 . 12 1 1 A 69 69 ILE C C 69 177.290 177.619 -0.329 1
1 819 . 12 1 1 A 69 69 ILE CA C 69 66.370 65.236 1.134 1
1 820 . 12 1 1 A 69 69 ILE CB C 69 38.090 37.778 0.312 1
1 824 . 12 1 1 A 69 69 ILE N N 69 122.954 119.088 3.866 1
1 825 . 12 1 1 A 70 70 ASP H H 70 8.415 8.659 -0.244 1
1 826 . 12 1 1 A 70 70 ASP HA H 70 4.336 4.354 -0.018 1
1 829 . 12 1 1 A 70 70 ASP C C 70 179.786 178.939 0.847 1
1 830 . 12 1 1 A 70 70 ASP CA C 70 58.130 57.294 0.836 1
1 831 . 12 1 1 A 70 70 ASP CB C 70 40.310 40.197 0.113 1
1 832 . 12 1 1 A 70 70 ASP N N 70 121.571 120.201 1.370 1
1 833 . 12 1 1 A 71 71 ALA H H 71 7.869 7.750 0.119 1
1 834 . 12 1 1 A 71 71 ALA HA H 71 4.215 4.139 0.076 1
1 838 . 12 1 1 A 71 71 ALA C C 71 180.246 179.915 0.331 1
1 839 . 12 1 1 A 71 71 ALA CA C 71 54.500 55.102 -0.602 1
1 840 . 12 1 1 A 71 71 ALA CB C 71 17.680 18.295 -0.615 1
1 841 . 12 1 1 A 71 71 ALA N N 71 121.459 122.663 -1.204 1
1 842 . 12 1 1 A 72 72 ALA H H 72 8.263 8.004 0.259 1
1 843 . 12 1 1 A 72 72 ALA HA H 72 4.045 4.288 -0.243 1
1 847 . 12 1 1 A 72 72 ALA C C 72 179.668 179.850 -0.182 1
1 848 . 12 1 1 A 72 72 ALA CA C 72 55.560 55.169 0.391 1
1 849 . 12 1 1 A 72 72 ALA CB C 72 19.870 18.194 1.676 1
1 850 . 12 1 1 A 72 72 ALA N N 72 123.378 120.683 2.695 1
1 851 . 12 1 1 A 73 73 LEU H H 73 8.790 8.127 0.663 1
1 852 . 12 1 1 A 73 73 LEU HA H 73 3.920 3.869 0.051 1
1 862 . 12 1 1 A 73 73 LEU C C 73 180.286 179.188 1.098 1
1 863 . 12 1 1 A 73 73 LEU CA C 73 58.130 57.961 0.169 1
1 864 . 12 1 1 A 73 73 LEU CB C 73 41.200 41.226 -0.026 1
1 868 . 12 1 1 A 73 73 LEU N N 73 119.015 118.848 0.167 1
1 869 . 12 1 1 A 74 74 ALA H H 74 7.931 7.905 0.026 1
1 870 . 12 1 1 A 74 74 ALA HA H 74 4.273 4.063 0.210 1
1 874 . 12 1 1 A 74 74 ALA C C 74 180.811 179.116 1.695 1
1 875 . 12 1 1 A 74 74 ALA CA C 74 54.960 54.788 0.172 1
1 876 . 12 1 1 A 74 74 ALA CB C 74 17.690 18.069 -0.379 1
1 877 . 12 1 1 A 74 74 ALA N N 74 124.135 122.425 1.710 1
1 878 . 12 1 1 A 75 75 ARG H H 75 7.898 7.613 0.285 1
1 879 . 12 1 1 A 75 75 ARG HA H 75 4.138 4.114 0.024 1
1 886 . 12 1 1 A 75 75 ARG C C 75 179.721 178.979 0.742 1
1 887 . 12 1 1 A 75 75 ARG CA C 75 60.170 58.629 1.541 1
1 888 . 12 1 1 A 75 75 ARG CB C 75 29.970 29.954 0.016 1
1 891 . 12 1 1 A 75 75 ARG N N 75 120.143 117.140 3.003 1
1 892 . 12 1 1 A 76 76 ILE H H 76 8.061 7.792 0.269 1
1 893 . 12 1 1 A 76 76 ILE HA H 76 3.697 3.768 -0.071 1
1 903 . 12 1 1 A 76 76 ILE C C 76 179.392 178.121 1.271 1
1 904 . 12 1 1 A 76 76 ILE CA C 76 66.060 65.550 0.510 1
1 905 . 12 1 1 A 76 76 ILE CB C 76 37.240 37.894 -0.654 1
1 909 . 12 1 1 A 76 76 ILE N N 76 121.537 121.383 0.154 1
1 910 . 12 1 1 A 77 77 ALA H H 77 7.735 8.166 -0.431 1
1 911 . 12 1 1 A 77 77 ALA HA H 77 4.132 4.086 0.046 1
1 915 . 12 1 1 A 77 77 ALA C C 77 179.326 180.139 -0.813 1
1 916 . 12 1 1 A 77 77 ALA CA C 77 54.910 54.830 0.080 1
1 917 . 12 1 1 A 77 77 ALA CB C 77 17.950 18.214 -0.264 1
1 918 . 12 1 1 A 77 77 ALA N N 77 122.664 121.993 0.671 1
1 919 . 12 1 1 A 78 78 SER H H 78 7.999 7.528 0.471 1
1 920 . 12 1 1 A 78 78 SER HA H 78 4.472 4.520 -0.048 1
1 923 . 12 1 1 A 78 78 SER C C 78 174.675 174.793 -0.118 1
1 924 . 12 1 1 A 78 78 SER CA C 78 59.260 58.693 0.567 1
1 925 . 12 1 1 A 78 78 SER CB C 78 64.070 63.823 0.247 1
1 926 . 12 1 1 A 78 78 SER N N 78 111.061 110.927 0.134 1
1 927 . 12 1 1 A 79 79 GLY H H 79 7.844 7.860 -0.016 1
1 928 . 12 1 1 A 79 79 GLY HA2 H 79 4.233 3.971 0.262 1
1 929 . 12 1 1 A 79 79 GLY HA3 H 79 4.087 3.991 0.096 1
1 930 . 12 1 1 A 79 79 GLY C C 79 175.687 174.246 1.441 1
1 931 . 12 1 1 A 79 79 GLY CA C 79 46.470 45.917 0.553 1
1 932 . 12 1 1 A 79 79 GLY N N 79 109.909 108.688 1.221 1
1 933 . 12 1 1 A 80 80 THR H H 80 8.408 7.810 0.598 1
1 934 . 12 1 1 A 80 80 THR HA H 80 4.504 4.424 0.080 1
1 939 . 12 1 1 A 80 80 THR C C 80 174.793 174.361 0.432 1
1 940 . 12 1 1 A 80 80 THR CA C 80 60.280 62.181 -1.901 1
1 941 . 12 1 1 A 80 80 THR CB C 80 69.000 69.242 -0.242 1
1 943 . 12 1 1 A 80 80 THR N N 80 109.416 115.616 -6.200 1
1 944 . 12 1 1 A 81 81 PHE H H 81 7.610 7.652 -0.042 1
1 945 . 12 1 1 A 81 81 PHE HA H 81 3.944 4.265 -0.321 1
1 950 . 12 1 1 A 81 81 PHE C C 81 176.462 176.942 -0.480 1
1 951 . 12 1 1 A 81 81 PHE CA C 81 59.940 59.995 -0.055 1
1 952 . 12 1 1 A 81 81 PHE CB C 81 39.700 38.685 1.015 1
1 954 . 12 1 1 A 81 81 PHE N N 81 123.672 123.255 0.417 1
1 955 . 12 1 1 A 82 82 GLY H H 82 8.827 8.181 0.646 1
1 956 . 12 1 1 A 82 82 GLY HA2 H 82 4.000 3.575 0.425 1
1 957 . 12 1 1 A 82 82 GLY HA3 H 82 2.606 3.805 -1.199 1
1 958 . 12 1 1 A 82 82 GLY C C 82 172.388 173.684 -1.296 1
1 959 . 12 1 1 A 82 82 GLY CA C 82 44.590 45.447 -0.857 1
1 960 . 12 1 1 A 82 82 GLY N N 82 115.493 114.154 1.339 1
1 961 . 12 1 1 A 83 83 THR H H 83 7.265 7.566 -0.301 1
1 962 . 12 1 1 A 83 83 THR HA H 83 4.418 4.547 -0.129 1
1 967 . 12 1 1 A 83 83 THR C C 83 173.808 173.002 0.806 1
1 968 . 12 1 1 A 83 83 THR CA C 83 61.180 61.165 0.015 1
1 969 . 12 1 1 A 83 83 THR CB C 83 70.020 71.458 -1.438 1
1 971 . 12 1 1 A 83 83 THR N N 83 115.366 114.892 0.474 1
1 972 . 12 1 1 A 84 84 CYS H H 84 9.410 8.618 0.792 1
1 973 . 12 1 1 A 84 84 CYS HA H 84 4.339 4.599 -0.260 1
1 976 . 12 1 1 A 84 84 CYS C C 84 177.986 175.767 2.219 1
1 977 . 12 1 1 A 84 84 CYS CA C 84 60.080 59.639 0.441 1
1 978 . 12 1 1 A 84 84 CYS CB C 84 30.630 28.107 2.523 1
1 979 . 12 1 1 A 84 84 CYS N N 84 131.144 125.495 5.649 1
1 980 . 12 1 1 A 85 85 VAL H H 85 8.461 7.917 0.544 1
1 981 . 12 1 1 A 85 85 VAL HA H 85 3.918 3.768 0.150 1
1 989 . 12 1 1 A 85 85 VAL C C 85 175.608 177.596 -1.988 1
1 990 . 12 1 1 A 85 85 VAL CA C 85 64.080 65.117 -1.037 1
1 991 . 12 1 1 A 85 85 VAL CB C 85 31.730 31.284 0.446 1
1 994 . 12 1 1 A 85 85 VAL N N 85 126.221 124.967 1.254 1
1 995 . 12 1 1 A 86 86 LYS H H 86 8.924 8.195 0.729 1
1 996 . 12 1 1 A 86 86 LYS HA H 86 4.496 4.148 0.348 1
1 1005 . 12 1 1 A 86 86 LYS C C 86 177.277 177.813 -0.536 1
1 1006 . 12 1 1 A 86 86 LYS CA C 86 58.500 58.909 -0.409 1
1 1007 . 12 1 1 A 86 86 LYS CB C 86 33.780 32.242 1.538 1
1 1011 . 12 1 1 A 86 86 LYS N N 86 123.551 121.558 1.993 1
1 1012 . 12 1 1 A 87 87 CYS H H 87 8.264 7.718 0.546 1
1 1013 . 12 1 1 A 87 87 CYS HA H 87 4.925 4.518 0.407 1
1 1016 . 12 1 1 A 87 87 CYS C C 87 177.211 175.622 1.589 1
1 1017 . 12 1 1 A 87 87 CYS CA C 87 58.980 59.647 -0.667 1
1 1018 . 12 1 1 A 87 87 CYS CB C 87 33.100 29.640 3.460 1
1 1019 . 12 1 1 A 87 87 CYS N N 87 117.502 115.304 2.198 1
1 1020 . 12 1 1 A 88 88 GLY H H 88 7.655 8.428 -0.773 1
1 1021 . 12 1 1 A 88 88 GLY HA2 H 88 4.159 3.941 0.218 1
1 1022 . 12 1 1 A 88 88 GLY HA3 H 88 3.729 3.942 -0.213 1
1 1023 . 12 1 1 A 88 88 GLY C C 88 173.558 173.619 -0.061 1
1 1024 . 12 1 1 A 88 88 GLY CA C 88 46.300 46.058 0.242 1
1 1025 . 12 1 1 A 88 88 GLY N N 88 111.948 110.381 1.567 1
1 1026 . 12 1 1 A 89 89 LYS H H 89 8.721 7.613 1.108 1
1 1027 . 12 1 1 A 89 89 LYS HA H 89 4.315 4.870 -0.555 1
1 1036 . 12 1 1 A 89 89 LYS C C 89 176.659 175.263 1.396 1
1 1037 . 12 1 1 A 89 89 LYS CA C 89 56.860 54.154 2.706 1
1 1038 . 12 1 1 A 89 89 LYS CB C 89 33.540 36.173 -2.633 1
1 1042 . 12 1 1 A 89 89 LYS N N 89 123.614 119.738 3.876 1
1 1043 . 12 1 1 A 90 90 ARG H H 90 8.415 8.490 -0.075 1
1 1044 . 12 1 1 A 90 90 ARG HA H 90 4.299 4.365 -0.066 1
1 1051 . 12 1 1 A 90 90 ARG C C 90 176.041 176.065 -0.024 1
1 1052 . 12 1 1 A 90 90 ARG CA C 90 56.030 56.222 -0.192 1
1 1053 . 12 1 1 A 90 90 ARG CB C 90 29.470 30.949 -1.479 1
1 1056 . 12 1 1 A 90 90 ARG N N 90 121.880 121.685 0.195 1
1 1057 . 12 1 1 A 91 91 ILE H H 91 8.334 8.362 -0.028 1
1 1058 . 12 1 1 A 91 91 ILE HA H 91 3.668 4.539 -0.871 1
1 1068 . 12 1 1 A 91 91 ILE C C 91 175.003 175.754 -0.751 1
1 1069 . 12 1 1 A 91 91 ILE CA C 91 61.810 60.015 1.795 1
1 1070 . 12 1 1 A 91 91 ILE CB C 91 38.920 39.740 -0.820 1
1 1074 . 12 1 1 A 91 91 ILE N N 91 128.410 125.451 2.959 1
1 1075 . 12 1 1 A 92 92 SER H H 92 8.551 8.672 -0.121 1
1 1076 . 12 1 1 A 92 92 SER HA H 92 4.180 4.446 -0.266 1
1 1079 . 12 1 1 A 92 92 SER C C 92 175.108 175.055 0.053 1
1 1080 . 12 1 1 A 92 92 SER CA C 92 58.460 58.980 -0.520 1
1 1081 . 12 1 1 A 92 92 SER CB C 92 64.180 63.444 0.736 1
1 1082 . 12 1 1 A 92 92 SER N N 92 124.170 120.952 3.218 1
1 1083 . 12 1 1 A 93 93 GLU H H 93 8.912 8.835 0.077 1
1 1084 . 12 1 1 A 93 93 GLU HA H 93 3.939 3.984 -0.045 1
1 1089 . 12 1 1 A 93 93 GLU C C 93 178.144 177.880 0.264 1
1 1090 . 12 1 1 A 93 93 GLU CA C 93 60.080 59.666 0.414 1
1 1091 . 12 1 1 A 93 93 GLU CB C 93 29.960 29.257 0.703 1
1 1093 . 12 1 1 A 93 93 GLU N N 93 123.996 125.279 -1.283 1
1 1094 . 12 1 1 A 94 94 ASP H H 94 8.311 8.261 0.050 1
1 1095 . 12 1 1 A 94 94 ASP HA H 94 4.252 4.347 -0.095 1
1 1098 . 12 1 1 A 94 94 ASP C C 94 178.472 178.531 -0.059 1
1 1099 . 12 1 1 A 94 94 ASP CA C 94 57.240 57.463 -0.223 1
1 1100 . 12 1 1 A 94 94 ASP CB C 94 40.420 40.092 0.328 1
1 1101 . 12 1 1 A 94 94 ASP N N 94 116.432 119.940 -3.508 1
1 1102 . 12 1 1 A 95 95 ARG H H 95 7.365 7.855 -0.490 1
1 1103 . 12 1 1 A 95 95 ARG HA H 95 4.067 4.078 -0.011 1
1 1110 . 12 1 1 A 95 95 ARG C C 95 177.237 178.871 -1.634 1
1 1111 . 12 1 1 A 95 95 ARG CA C 95 58.870 58.933 -0.063 1
1 1112 . 12 1 1 A 95 95 ARG CB C 95 29.100 29.934 -0.834 1
1 1115 . 12 1 1 A 95 95 ARG N N 95 121.517 120.479 1.038 1
1 1116 . 12 1 1 A 96 96 LEU H H 96 7.831 8.066 -0.235 1
1 1117 . 12 1 1 A 96 96 LEU HA H 96 3.735 3.759 -0.024 1
1 1127 . 12 1 1 A 96 96 LEU C C 96 177.855 179.646 -1.791 1
1 1128 . 12 1 1 A 96 96 LEU CA C 96 56.930 57.761 -0.831 1
1 1129 . 12 1 1 A 96 96 LEU CB C 96 41.300 41.139 0.161 1
1 1133 . 12 1 1 A 96 96 LEU N N 96 119.073 119.531 -0.458 1
1 1134 . 12 1 1 A 97 97 LYS H H 97 8.098 8.353 -0.255 1
1 1135 . 12 1 1 A 97 97 LYS HA H 97 4.014 4.261 -0.247 1
1 1144 . 12 1 1 A 97 97 LYS C C 97 178.433 178.595 -0.162 1
1 1145 . 12 1 1 A 97 97 LYS CA C 97 59.080 59.072 0.008 1
1 1146 . 12 1 1 A 97 97 LYS CB C 97 32.830 32.012 0.818 1
1 1150 . 12 1 1 A 97 97 LYS N N 97 114.647 118.249 -3.602 1
1 1151 . 12 1 1 A 98 98 ALA H H 98 7.011 7.269 -0.258 1
1 1152 . 12 1 1 A 98 98 ALA HA H 98 4.196 4.262 -0.066 1
1 1156 . 12 1 1 A 98 98 ALA C C 98 178.814 177.828 0.986 1
1 1157 . 12 1 1 A 98 98 ALA CA C 98 54.480 53.962 0.518 1
1 1158 . 12 1 1 A 98 98 ALA CB C 98 19.380 19.547 -0.167 1
1 1159 . 12 1 1 A 98 98 ALA N N 98 119.536 120.447 -0.911 1
1 1160 . 12 1 1 A 99 99 VAL H H 99 8.133 7.727 0.406 1
1 1161 . 12 1 1 A 99 99 VAL HA H 99 4.098 4.239 -0.141 1
1 1169 . 12 1 1 A 99 99 VAL CA C 99 58.260 59.110 -0.850 1
1 1170 . 12 1 1 A 99 99 VAL CB C 99 32.530 32.499 0.031 1
1 1173 . 12 1 1 A 99 99 VAL N N 99 114.735 115.328 -0.593 1
1 1174 . 12 1 1 A 100 100 PRO HA H 100 4.761 4.448 0.313 1
1 1181 . 12 1 1 A 100 100 PRO C C 100 175.437 177.067 -1.630 1
1 1182 . 12 1 1 A 100 100 PRO CA C 100 65.370 63.796 1.574 1
1 1183 . 12 1 1 A 100 100 PRO CB C 100 31.190 31.988 -0.798 1
1 1186 . 12 1 1 A 101 101 TYR H H 101 6.053 7.741 -1.688 1
1 1187 . 12 1 1 A 101 101 TYR HA H 101 4.463 4.704 -0.241 1
1 1194 . 12 1 1 A 101 101 TYR C C 101 175.871 174.506 1.365 1
1 1195 . 12 1 1 A 101 101 TYR CA C 101 53.920 57.022 -3.102 1
1 1196 . 12 1 1 A 101 101 TYR CB C 101 38.230 38.462 -0.232 1
1 1199 . 12 1 1 A 101 101 TYR N N 101 108.211 115.675 -7.464 1
1 1200 . 12 1 1 A 102 102 THR H H 102 7.466 7.435 0.031 1
1 1201 . 12 1 1 A 102 102 THR HA H 102 4.384 4.758 -0.374 1
1 1206 . 12 1 1 A 102 102 THR CA C 102 60.030 58.070 1.960 1
1 1207 . 12 1 1 A 102 102 THR CB C 102 69.600 70.578 -0.978 1
1 1209 . 12 1 1 A 102 102 THR N N 102 120.556 114.909 5.647 1
1 1210 . 12 1 1 A 103 103 PRO HA H 103 4.244 4.419 -0.175 1
1 1217 . 12 1 1 A 103 103 PRO C C 103 176.344 176.030 0.314 1
1 1218 . 12 1 1 A 103 103 PRO CA C 103 62.400 63.907 -1.507 1
1 1219 . 12 1 1 A 103 103 PRO CB C 103 32.250 31.355 0.895 1
1 1222 . 12 1 1 A 104 104 PHE H H 104 7.365 7.199 0.166 1
1 1223 . 12 1 1 A 104 104 PHE HA H 104 6.207 4.865 1.342 1
1 1230 . 12 1 1 A 104 104 PHE C C 104 176.133 175.781 0.352 1
1 1231 . 12 1 1 A 104 104 PHE CA C 104 55.220 57.421 -2.201 1
1 1232 . 12 1 1 A 104 104 PHE CB C 104 44.480 41.452 3.028 1
1 1235 . 12 1 1 A 104 104 PHE N N 104 115.933 118.312 -2.379 1
1 1236 . 12 1 1 A 105 105 CYS H H 105 9.248 8.482 0.766 1
1 1237 . 12 1 1 A 105 105 CYS HA H 105 4.638 4.755 -0.117 1
1 1240 . 12 1 1 A 105 105 CYS C C 105 174.254 175.661 -1.407 1
1 1241 . 12 1 1 A 105 105 CYS CA C 105 58.060 57.434 0.626 1
1 1242 . 12 1 1 A 105 105 CYS CB C 105 31.250 29.992 1.258 1
1 1243 . 12 1 1 A 105 105 CYS N N 105 118.999 119.710 -0.711 1
1 1244 . 12 1 1 A 106 106 GLN H H 106 8.865 8.808 0.057 1
1 1245 . 12 1 1 A 106 106 GLN HA H 106 3.611 3.956 -0.345 1
1 1252 . 12 1 1 A 106 106 GLN C C 106 177.250 177.625 -0.375 1
1 1253 . 12 1 1 A 106 106 GLN CA C 106 59.430 59.353 0.077 1
1 1254 . 12 1 1 A 106 106 GLN CB C 106 28.750 28.147 0.603 1
1 1256 . 12 1 1 A 106 106 GLN N N 106 119.606 122.023 -2.417 1
1 1258 . 12 1 1 A 107 107 GLU H H 107 8.134 8.574 -0.440 1
1 1259 . 12 1 1 A 107 107 GLU HA H 107 3.959 4.105 -0.146 1
1 1264 . 12 1 1 A 107 107 GLU C C 107 179.616 179.286 0.330 1
1 1265 . 12 1 1 A 107 107 GLU CA C 107 60.110 58.946 1.164 1
1 1266 . 12 1 1 A 107 107 GLU CB C 107 29.990 29.249 0.741 1
1 1268 . 12 1 1 A 107 107 GLU N N 107 119.554 119.046 0.508 1
1 1269 . 12 1 1 A 108 108 CYS H H 108 8.681 7.884 0.797 1
1 1270 . 12 1 1 A 108 108 CYS HA H 108 3.783 4.068 -0.285 1
1 1273 . 12 1 1 A 108 108 CYS C C 108 177.868 176.639 1.229 1
1 1274 . 12 1 1 A 108 108 CYS CA C 108 64.110 63.144 0.966 1
1 1275 . 12 1 1 A 108 108 CYS CB C 108 29.270 26.853 2.417 1
1 1276 . 12 1 1 A 108 108 CYS N N 108 123.406 118.823 4.583 1
1 1277 . 12 1 1 A 109 109 ALA H H 109 8.094 8.332 -0.238 1
1 1278 . 12 1 1 A 109 109 ALA HA H 109 3.693 4.101 -0.408 1
1 1282 . 12 1 1 A 109 109 ALA C C 109 178.591 179.794 -1.203 1
1 1283 . 12 1 1 A 109 109 ALA CA C 109 53.710 55.037 -1.327 1
1 1284 . 12 1 1 A 109 109 ALA CB C 109 18.430 18.490 -0.060 1
1 1285 . 12 1 1 A 109 109 ALA N N 109 120.579 122.446 -1.867 1
1 1286 . 12 1 1 A 110 110 ALA H H 110 7.402 8.063 -0.661 1
1 1287 . 12 1 1 A 110 110 ALA HA H 110 4.111 4.152 -0.041 1
1 1291 . 12 1 1 A 110 110 ALA C C 110 177.408 178.290 -0.882 1
1 1292 . 12 1 1 A 110 110 ALA CA C 110 53.000 53.967 -0.967 1
1 1293 . 12 1 1 A 110 110 ALA CB C 110 18.710 18.306 0.404 1
1 1294 . 12 1 1 A 110 110 ALA N N 110 118.992 119.663 -0.671 1
1 1295 . 12 1 1 A 111 111 ALA H H 111 7.247 7.470 -0.223 1
1 1296 . 12 1 1 A 111 111 ALA HA H 111 4.300 4.396 -0.096 1
1 1300 . 12 1 1 A 111 111 ALA C C 111 176.488 177.480 -0.992 1
1 1301 . 12 1 1 A 111 111 ALA CA C 111 51.840 51.538 0.302 1
1 1302 . 12 1 1 A 111 111 ALA CB C 111 19.210 19.331 -0.121 1
1 1303 . 12 1 1 A 111 111 ALA N N 111 120.857 119.312 1.545 1
1 19 . 13 1 1 A 2 2 ALA H H 2 8.460 9.150 -0.690 1
1 20 . 13 1 1 A 2 2 ALA HA H 2 4.304 4.030 0.274 1
1 24 . 13 1 1 A 2 2 ALA C C 2 178.183 177.259 0.924 1
1 25 . 13 1 1 A 2 2 ALA CA C 2 52.760 53.350 -0.590 1
1 26 . 13 1 1 A 2 2 ALA CB C 2 19.150 17.809 1.341 1
1 27 . 13 1 1 A 2 2 ALA N N 2 125.375 124.185 1.190 1
1 28 . 13 1 1 A 3 3 GLY H H 3 8.343 8.424 -0.081 1
1 29 . 13 1 1 A 3 3 GLY N N 3 108.577 102.734 5.843 1
1 30 . 13 1 1 A 5 5 LYS HA H 5 4.355 4.358 -0.003 1
1 39 . 13 1 1 A 5 5 LYS CA C 5 56.170 55.668 0.502 1
1 40 . 13 1 1 A 5 5 LYS CB C 5 33.170 33.623 -0.453 1
1 44 . 13 1 1 A 6 6 SER HA H 6 4.429 4.117 0.312 1
1 47 . 13 1 1 A 6 6 SER CA C 6 58.390 59.266 -0.876 1
1 48 . 13 1 1 A 6 6 SER CB C 6 64.040 62.504 1.536 1
1 49 . 13 1 1 A 7 7 MET HA H 7 4.435 4.517 -0.082 1
1 57 . 13 1 1 A 7 7 MET CA C 7 55.610 56.124 -0.514 1
1 58 . 13 1 1 A 7 7 MET CB C 7 33.550 33.652 -0.102 1
1 61 . 13 1 1 A 8 8 ASN HA H 8 4.837 4.852 -0.015 1
1 66 . 13 1 1 A 8 8 ASN C C 8 175.910 175.120 0.790 1
1 67 . 13 1 1 A 8 8 ASN CA C 8 52.310 52.325 -0.015 1
1 68 . 13 1 1 A 8 8 ASN CB C 8 38.190 36.219 1.971 1
1 70 . 13 1 1 A 9 9 VAL H H 9 8.400 8.095 0.305 1
1 71 . 13 1 1 A 9 9 VAL HA H 9 3.908 3.783 0.125 1
1 79 . 13 1 1 A 9 9 VAL C C 9 176.738 177.604 -0.866 1
1 80 . 13 1 1 A 9 9 VAL CA C 9 65.550 66.881 -1.331 1
1 81 . 13 1 1 A 9 9 VAL CB C 9 31.970 31.629 0.341 1
1 84 . 13 1 1 A 9 9 VAL N N 9 121.216 122.928 -1.712 1
1 85 . 13 1 1 A 10 10 GLU H H 10 8.596 8.301 0.295 1
1 86 . 13 1 1 A 10 10 GLU HA H 10 4.077 3.861 0.216 1
1 91 . 13 1 1 A 10 10 GLU C C 10 178.985 179.244 -0.259 1
1 92 . 13 1 1 A 10 10 GLU CA C 10 59.390 59.633 -0.243 1
1 93 . 13 1 1 A 10 10 GLU CB C 10 29.000 29.279 -0.279 1
1 95 . 13 1 1 A 10 10 GLU N N 10 121.274 119.926 1.348 1
1 96 . 13 1 1 A 11 11 SER H H 11 7.841 8.040 -0.199 1
1 97 . 13 1 1 A 11 11 SER HA H 11 4.138 4.066 0.072 1
1 100 . 13 1 1 A 11 11 SER C C 11 176.817 176.459 0.358 1
1 101 . 13 1 1 A 11 11 SER CA C 11 60.790 62.157 -1.367 1
1 102 . 13 1 1 A 11 11 SER CB C 11 62.470 62.978 -0.508 1
1 103 . 13 1 1 A 11 11 SER N N 11 115.238 116.635 -1.397 1
1 104 . 13 1 1 A 12 12 TYR H H 12 7.284 7.395 -0.111 1
1 105 . 13 1 1 A 12 12 TYR HA H 12 4.104 4.356 -0.252 1
1 112 . 13 1 1 A 12 12 TYR C C 12 177.132 178.112 -0.980 1
1 113 . 13 1 1 A 12 12 TYR CA C 12 62.060 61.461 0.599 1
1 114 . 13 1 1 A 12 12 TYR CB C 12 38.710 37.598 1.112 1
1 117 . 13 1 1 A 12 12 TYR N N 12 120.370 119.709 0.661 1
1 118 . 13 1 1 A 13 13 GLU H H 13 8.490 8.477 0.013 1
1 119 . 13 1 1 A 13 13 GLU HA H 13 3.432 3.864 -0.432 1
1 124 . 13 1 1 A 13 13 GLU C C 13 177.303 178.745 -1.442 1
1 125 . 13 1 1 A 13 13 GLU CA C 13 60.660 59.467 1.193 1
1 126 . 13 1 1 A 13 13 GLU CB C 13 29.200 28.582 0.618 1
1 128 . 13 1 1 A 13 13 GLU N N 13 120.162 120.696 -0.534 1
1 129 . 13 1 1 A 14 14 LYS H H 14 7.454 7.770 -0.316 1
1 130 . 13 1 1 A 14 14 LYS HA H 14 3.900 4.062 -0.162 1
1 139 . 13 1 1 A 14 14 LYS C C 14 178.249 178.685 -0.436 1
1 140 . 13 1 1 A 14 14 LYS CA C 14 59.620 59.003 0.617 1
1 141 . 13 1 1 A 14 14 LYS CB C 14 32.420 31.983 0.437 1
1 145 . 13 1 1 A 14 14 LYS N N 14 117.838 118.271 -0.433 1
1 146 . 13 1 1 A 15 15 ILE H H 15 7.409 7.553 -0.144 1
1 147 . 13 1 1 A 15 15 ILE HA H 15 3.822 3.970 -0.148 1
1 157 . 13 1 1 A 15 15 ILE C C 15 179.668 178.021 1.647 1
1 158 . 13 1 1 A 15 15 ILE CA C 15 65.030 63.046 1.984 1
1 159 . 13 1 1 A 15 15 ILE CB C 15 38.950 37.690 1.260 1
1 163 . 13 1 1 A 15 15 ILE N N 15 118.597 120.509 -1.912 1
1 164 . 13 1 1 A 16 16 LEU H H 16 8.407 8.127 0.280 1
1 165 . 13 1 1 A 16 16 LEU HA H 16 3.992 4.009 -0.017 1
1 175 . 13 1 1 A 16 16 LEU C C 16 178.512 179.062 -0.550 1
1 176 . 13 1 1 A 16 16 LEU CA C 16 58.230 58.005 0.225 1
1 177 . 13 1 1 A 16 16 LEU CB C 16 42.130 41.023 1.107 1
1 181 . 13 1 1 A 16 16 LEU N N 16 120.642 121.117 -0.475 1
1 182 . 13 1 1 A 17 17 ARG H H 17 8.789 8.231 0.558 1
1 183 . 13 1 1 A 17 17 ARG HA H 17 3.917 4.214 -0.297 1
1 190 . 13 1 1 A 17 17 ARG C C 17 179.602 178.494 1.108 1
1 191 . 13 1 1 A 17 17 ARG CA C 17 60.080 59.370 0.710 1
1 192 . 13 1 1 A 17 17 ARG CB C 17 29.620 30.106 -0.486 1
1 195 . 13 1 1 A 17 17 ARG N N 17 119.196 119.015 0.181 1
1 196 . 13 1 1 A 18 18 ASP H H 18 8.638 8.113 0.525 1
1 197 . 13 1 1 A 18 18 ASP HA H 18 4.418 4.458 -0.040 1
1 200 . 13 1 1 A 18 18 ASP C C 18 179.116 179.166 -0.050 1
1 201 . 13 1 1 A 18 18 ASP CA C 18 57.330 56.798 0.532 1
1 202 . 13 1 1 A 18 18 ASP CB C 18 39.700 40.369 -0.669 1
1 203 . 13 1 1 A 18 18 ASP N N 18 121.383 119.417 1.966 1
1 204 . 13 1 1 A 19 19 ARG H H 19 7.947 8.023 -0.076 1
1 205 . 13 1 1 A 19 19 ARG HA H 19 4.180 4.104 0.076 1
1 212 . 13 1 1 A 19 19 ARG C C 19 177.855 178.884 -1.029 1
1 213 . 13 1 1 A 19 19 ARG CA C 19 57.680 59.431 -1.751 1
1 214 . 13 1 1 A 19 19 ARG CB C 19 29.540 29.924 -0.384 1
1 217 . 13 1 1 A 19 19 ARG N N 19 121.506 121.028 0.478 1
1 218 . 13 1 1 A 20 20 GLN H H 20 8.691 8.219 0.472 1
1 219 . 13 1 1 A 20 20 GLN HA H 20 3.589 4.054 -0.465 1
1 226 . 13 1 1 A 20 20 GLN C C 20 176.896 178.301 -1.405 1
1 227 . 13 1 1 A 20 20 GLN CA C 20 59.620 58.802 0.818 1
1 228 . 13 1 1 A 20 20 GLN CB C 20 30.020 27.904 2.116 1
1 230 . 13 1 1 A 20 20 GLN N N 20 120.162 118.000 2.162 1
1 232 . 13 1 1 A 21 21 ARG H H 21 7.959 7.873 0.086 1
1 233 . 13 1 1 A 21 21 ARG HA H 21 3.973 4.176 -0.203 1
1 240 . 13 1 1 A 21 21 ARG C C 21 178.985 179.088 -0.103 1
1 241 . 13 1 1 A 21 21 ARG CA C 21 59.800 59.827 -0.027 1
1 242 . 13 1 1 A 21 21 ARG CB C 21 29.980 30.205 -0.225 1
1 245 . 13 1 1 A 21 21 ARG N N 21 117.219 119.251 -2.032 1
1 246 . 13 1 1 A 22 22 GLU H H 22 7.700 8.073 -0.373 1
1 247 . 13 1 1 A 22 22 GLU HA H 22 4.076 4.145 -0.069 1
1 252 . 13 1 1 A 22 22 GLU C C 22 179.090 178.426 0.664 1
1 253 . 13 1 1 A 22 22 GLU CA C 22 58.950 59.249 -0.299 1
1 254 . 13 1 1 A 22 22 GLU CB C 22 29.580 28.844 0.736 1
1 256 . 13 1 1 A 22 22 GLU N N 22 119.703 118.574 1.129 1
1 257 . 13 1 1 A 23 23 LEU H H 23 8.264 7.661 0.603 1
1 258 . 13 1 1 A 23 23 LEU HA H 23 3.979 4.132 -0.153 1
1 268 . 13 1 1 A 23 23 LEU C C 23 179.234 178.450 0.784 1
1 269 . 13 1 1 A 23 23 LEU CA C 23 57.990 57.491 0.499 1
1 270 . 13 1 1 A 23 23 LEU CB C 23 42.370 41.806 0.564 1
1 274 . 13 1 1 A 23 23 LEU N N 23 119.988 121.165 -1.177 1
1 275 . 13 1 1 A 24 24 TYR H H 24 8.688 8.362 0.326 1
1 276 . 13 1 1 A 24 24 TYR HA H 24 4.084 4.334 -0.250 1
1 283 . 13 1 1 A 24 24 TYR C C 24 178.630 179.147 -0.517 1
1 284 . 13 1 1 A 24 24 TYR CA C 24 61.670 60.837 0.833 1
1 285 . 13 1 1 A 24 24 TYR CB C 24 37.780 37.902 -0.122 1
1 288 . 13 1 1 A 24 24 TYR N N 24 119.101 119.169 -0.068 1
1 289 . 13 1 1 A 25 25 ARG H H 25 7.945 8.354 -0.409 1
1 290 . 13 1 1 A 25 25 ARG HA H 25 4.043 4.197 -0.154 1
1 297 . 13 1 1 A 25 25 ARG C C 25 178.683 178.719 -0.036 1
1 298 . 13 1 1 A 25 25 ARG CA C 25 59.460 59.010 0.450 1
1 299 . 13 1 1 A 25 25 ARG CB C 25 30.160 30.107 0.053 1
1 302 . 13 1 1 A 25 25 ARG N N 25 118.297 118.176 0.121 1
1 303 . 13 1 1 A 26 26 ARG H H 26 7.726 7.631 0.095 1
1 304 . 13 1 1 A 26 26 ARG HA H 26 4.067 4.132 -0.065 1
1 311 . 13 1 1 A 26 26 ARG C C 26 177.986 178.259 -0.273 1
1 312 . 13 1 1 A 26 26 ARG CA C 26 58.300 58.921 -0.621 1
1 313 . 13 1 1 A 26 26 ARG CB C 26 30.670 30.100 0.570 1
1 316 . 13 1 1 A 26 26 ARG N N 26 118.100 119.890 -1.790 1
1 317 . 13 1 1 A 27 27 LEU H H 27 7.971 7.559 0.412 1
1 318 . 13 1 1 A 27 27 LEU HA H 27 4.095 4.337 -0.242 1
1 328 . 13 1 1 A 27 27 LEU C C 27 177.461 177.036 0.425 1
1 329 . 13 1 1 A 27 27 LEU CA C 27 56.260 55.050 1.210 1
1 330 . 13 1 1 A 27 27 LEU CB C 27 42.260 41.776 0.484 1
1 334 . 13 1 1 A 27 27 LEU N N 27 118.633 115.752 2.881 1
1 335 . 13 1 1 A 28 28 HIS H H 28 7.863 7.682 0.181 1
1 336 . 13 1 1 A 28 28 HIS HA H 28 4.482 4.988 -0.506 1
1 341 . 13 1 1 A 28 28 HIS C C 28 174.741 176.095 -1.354 1
1 342 . 13 1 1 A 28 28 HIS CA C 28 56.310 55.310 1.000 1
1 343 . 13 1 1 A 28 28 HIS CB C 28 29.300 29.848 -0.548 1
1 346 . 13 1 1 A 28 28 HIS N N 28 116.767 118.126 -1.359 1
1 347 . 13 1 1 A 29 29 LYS H H 29 7.893 8.050 -0.157 1
1 348 . 13 1 1 A 29 29 LYS HA H 29 4.172 4.026 0.146 1
1 357 . 13 1 1 A 29 29 LYS C C 29 176.357 178.262 -1.905 1
1 358 . 13 1 1 A 29 29 LYS CA C 29 56.830 58.905 -2.075 1
1 359 . 13 1 1 A 29 29 LYS CB C 29 32.000 31.865 0.135 1
1 363 . 13 1 1 A 29 29 LYS N N 29 120.331 118.492 1.839 1
1 364 . 13 1 1 A 30 30 ILE H H 30 7.995 7.618 0.377 1
1 365 . 13 1 1 A 30 30 ILE HA H 30 4.085 3.822 0.263 1
1 375 . 13 1 1 A 30 30 ILE C C 30 176.344 177.582 -1.238 1
1 376 . 13 1 1 A 30 30 ILE CA C 30 61.440 64.126 -2.686 1
1 377 . 13 1 1 A 30 30 ILE CB C 30 39.020 37.557 1.463 1
1 381 . 13 1 1 A 30 30 ILE N N 30 120.440 116.859 3.581 1
1 382 . 13 1 1 A 31 31 GLU H H 31 8.367 7.981 0.386 1
1 383 . 13 1 1 A 31 31 GLU HA H 31 4.159 4.392 -0.233 1
1 388 . 13 1 1 A 31 31 GLU C C 31 176.265 175.921 0.344 1
1 389 . 13 1 1 A 31 31 GLU CA C 31 56.890 56.995 -0.105 1
1 390 . 13 1 1 A 31 31 GLU CB C 31 30.050 30.260 -0.210 1
1 392 . 13 1 1 A 31 31 GLU N N 31 124.043 119.727 4.316 1
1 393 . 13 1 1 A 32 32 ALA H H 32 8.138 7.716 0.422 1
1 394 . 13 1 1 A 32 32 ALA HA H 32 4.175 4.739 -0.564 1
1 398 . 13 1 1 A 32 32 ALA C C 32 177.198 175.030 2.168 1
1 399 . 13 1 1 A 32 32 ALA CA C 32 52.620 50.564 2.056 1
1 400 . 13 1 1 A 32 32 ALA CB C 32 19.490 20.152 -0.662 1
1 401 . 13 1 1 A 32 32 ALA N N 32 124.170 122.841 1.329 1
1 402 . 13 1 1 A 33 33 ASP H H 33 8.157 8.814 -0.657 1
1 403 . 13 1 1 A 33 33 ASP HA H 33 4.467 4.733 -0.266 1
1 406 . 13 1 1 A 33 33 ASP C C 33 175.910 174.653 1.257 1
1 407 . 13 1 1 A 33 33 ASP CA C 33 54.500 52.888 1.612 1
1 408 . 13 1 1 A 33 33 ASP CB C 33 40.750 40.156 0.594 1
1 409 . 13 1 1 A 33 33 ASP N N 33 118.904 125.651 -6.747 1
1 410 . 13 1 1 A 34 34 PHE H H 34 7.884 8.232 -0.348 1
1 411 . 13 1 1 A 34 34 PHE HA H 34 4.514 4.973 -0.459 1
1 418 . 13 1 1 A 34 34 PHE C C 34 175.319 175.798 -0.479 1
1 419 . 13 1 1 A 34 34 PHE CA C 34 57.610 56.313 1.297 1
1 420 . 13 1 1 A 34 34 PHE CB C 34 39.840 40.016 -0.176 1
1 423 . 13 1 1 A 34 34 PHE N N 34 119.439 124.512 -5.073 1
1 424 . 13 1 1 A 35 35 GLU H H 35 8.084 8.811 -0.727 1
1 425 . 13 1 1 A 35 35 GLU HA H 35 4.190 4.316 -0.126 1
1 430 . 13 1 1 A 35 35 GLU C C 35 175.634 176.994 -1.360 1
1 431 . 13 1 1 A 35 35 GLU CA C 35 56.140 59.481 -3.341 1
1 432 . 13 1 1 A 35 35 GLU CB C 35 30.810 30.473 0.337 1
1 434 . 13 1 1 A 35 35 GLU N N 35 122.340 124.204 -1.864 1
1 435 . 13 1 1 A 36 36 GLU H H 36 8.172 8.019 0.153 1
1 436 . 13 1 1 A 36 36 GLU HA H 36 4.442 4.834 -0.392 1
1 441 . 13 1 1 A 36 36 GLU CA C 36 54.300 54.005 0.295 1
1 442 . 13 1 1 A 36 36 GLU CB C 36 29.490 30.291 -0.801 1
1 444 . 13 1 1 A 36 36 GLU N N 36 123.278 119.354 3.924 1
1 445 . 13 1 1 A 37 37 PRO HA H 37 4.339 4.620 -0.281 1
1 452 . 13 1 1 A 37 37 PRO C C 37 175.818 175.502 0.316 1
1 453 . 13 1 1 A 37 37 PRO CA C 37 62.800 62.387 0.413 1
1 454 . 13 1 1 A 37 37 PRO CB C 37 31.900 29.308 2.592 1
1 457 . 13 1 1 A 38 38 ARG H H 38 8.412 8.632 -0.220 1
1 458 . 13 1 1 A 38 38 ARG HA H 38 4.255 4.892 -0.637 1
1 465 . 13 1 1 A 38 38 ARG C C 38 175.818 175.326 0.492 1
1 466 . 13 1 1 A 38 38 ARG CA C 38 55.350 55.060 0.290 1
1 467 . 13 1 1 A 38 38 ARG CB C 38 31.010 31.562 -0.552 1
1 470 . 13 1 1 A 38 38 ARG N N 38 121.791 123.503 -1.712 1
1 471 . 13 1 1 A 39 39 ASN H H 39 8.624 8.667 -0.043 1
1 472 . 13 1 1 A 39 39 ASN HA H 39 4.906 4.965 -0.059 1
1 477 . 13 1 1 A 39 39 ASN CA C 39 51.100 50.998 0.102 1
1 478 . 13 1 1 A 39 39 ASN CB C 39 38.560 40.803 -2.243 1
1 479 . 13 1 1 A 39 39 ASN N N 39 121.594 121.357 0.237 1
1 481 . 13 1 1 A 40 40 PRO HA H 40 4.310 4.320 -0.010 1
1 488 . 13 1 1 A 40 40 PRO C C 40 176.896 177.082 -0.186 1
1 489 . 13 1 1 A 40 40 PRO CA C 40 63.970 65.557 -1.587 1
1 490 . 13 1 1 A 40 40 PRO CB C 40 32.210 31.551 0.659 1
1 493 . 13 1 1 A 41 41 ASP H H 41 8.219 8.124 0.095 1
1 494 . 13 1 1 A 41 41 ASP HA H 41 4.516 4.262 0.254 1
1 497 . 13 1 1 A 41 41 ASP C C 41 176.252 175.276 0.976 1
1 498 . 13 1 1 A 41 41 ASP CA C 41 54.740 54.812 -0.072 1
1 499 . 13 1 1 A 41 41 ASP CB C 41 41.100 39.233 1.867 1
1 500 . 13 1 1 A 41 41 ASP N N 41 118.818 118.534 0.284 1
1 501 . 13 1 1 A 42 42 ASP H H 42 7.949 7.950 -0.001 1
1 502 . 13 1 1 A 42 42 ASP HA H 42 4.516 5.079 -0.563 1
1 505 . 13 1 1 A 42 42 ASP C C 42 176.567 174.584 1.983 1
1 506 . 13 1 1 A 42 42 ASP CA C 42 54.910 53.348 1.562 1
1 507 . 13 1 1 A 42 42 ASP CB C 42 41.100 41.255 -0.155 1
1 508 . 13 1 1 A 42 42 ASP N N 42 120.104 123.437 -3.333 1
1 509 . 13 1 1 A 43 43 GLU H H 43 8.179 8.520 -0.341 1
1 510 . 13 1 1 A 43 43 GLU HA H 43 4.153 4.562 -0.409 1
1 515 . 13 1 1 A 43 43 GLU C C 43 176.488 173.562 2.926 1
1 516 . 13 1 1 A 43 43 GLU CA C 43 57.070 57.200 -0.130 1
1 517 . 13 1 1 A 43 43 GLU CB C 43 30.430 30.706 -0.276 1
1 519 . 13 1 1 A 43 43 GLU N N 43 121.153 125.148 -3.995 1
1 520 . 13 1 1 A 44 44 ASP H H 44 8.325 7.708 0.617 1
1 521 . 13 1 1 A 44 44 ASP HA H 44 4.517 4.972 -0.455 1
1 524 . 13 1 1 A 44 44 ASP C C 44 176.462 173.467 2.995 1
1 525 . 13 1 1 A 44 44 ASP CA C 44 54.360 53.885 0.475 1
1 526 . 13 1 1 A 44 44 ASP CB C 44 41.030 44.162 -3.132 1
1 527 . 13 1 1 A 44 44 ASP N N 44 121.100 120.232 0.868 1
1 528 . 13 1 1 A 45 45 ARG H H 45 8.106 8.817 -0.711 1
1 529 . 13 1 1 A 45 45 ARG HA H 45 4.252 4.657 -0.405 1
1 536 . 13 1 1 A 45 45 ARG C C 45 176.475 174.782 1.693 1
1 537 . 13 1 1 A 45 45 ARG CA C 45 56.000 54.825 1.175 1
1 538 . 13 1 1 A 45 45 ARG CB C 45 30.360 30.513 -0.153 1
1 541 . 13 1 1 A 45 45 ARG N N 45 121.258 125.603 -4.345 1
1 542 . 13 1 1 A 46 46 ALA H H 46 8.235 7.810 0.425 1
1 543 . 13 1 1 A 46 46 ALA HA H 46 4.220 4.591 -0.371 1
1 547 . 13 1 1 A 46 46 ALA C C 46 178.196 177.057 1.139 1
1 548 . 13 1 1 A 46 46 ALA CA C 46 53.070 51.707 1.363 1
1 549 . 13 1 1 A 46 46 ALA CB C 46 18.840 18.942 -0.102 1
1 550 . 13 1 1 A 46 46 ALA N N 46 124.506 126.626 -2.120 1
1 551 . 13 1 1 A 47 47 SER H H 47 8.150 8.555 -0.405 1
1 552 . 13 1 1 A 47 47 SER HA H 47 4.331 4.413 -0.082 1
1 555 . 13 1 1 A 47 47 SER C C 47 174.727 174.065 0.662 1
1 556 . 13 1 1 A 47 47 SER CA C 47 58.820 59.304 -0.484 1
1 557 . 13 1 1 A 47 47 SER CB C 47 63.520 63.876 -0.356 1
1 558 . 13 1 1 A 47 47 SER N N 47 114.398 119.543 -5.145 1
1 559 . 13 1 1 A 48 48 GLU H H 48 8.235 8.824 -0.589 1
1 560 . 13 1 1 A 48 48 GLU HA H 48 4.244 4.313 -0.069 1
1 565 . 13 1 1 A 48 48 GLU C C 48 176.396 176.559 -0.163 1
1 566 . 13 1 1 A 48 48 GLU CA C 48 56.550 56.030 0.520 1
1 567 . 13 1 1 A 48 48 GLU CB C 48 30.330 28.244 2.086 1
1 569 . 13 1 1 A 48 48 GLU N N 48 122.340 124.494 -2.154 1
1 570 . 13 1 1 A 49 49 ARG H H 49 8.174 8.425 -0.251 1
1 571 . 13 1 1 A 49 49 ARG HA H 49 4.339 4.110 0.229 1
1 578 . 13 1 1 A 49 49 ARG C C 49 176.344 175.518 0.826 1
1 579 . 13 1 1 A 49 49 ARG CA C 49 55.900 57.019 -1.119 1
1 580 . 13 1 1 A 49 49 ARG CB C 49 30.980 29.280 1.700 1
1 583 . 13 1 1 A 49 49 ARG N N 49 121.431 121.393 0.038 1
1 584 . 13 1 1 A 50 50 SER H H 50 8.389 8.481 -0.092 1
1 585 . 13 1 1 A 50 50 SER HA H 50 4.392 4.527 -0.135 1
1 588 . 13 1 1 A 50 50 SER C C 50 174.517 174.515 0.002 1
1 589 . 13 1 1 A 50 50 SER CA C 50 58.230 59.651 -1.421 1
1 590 . 13 1 1 A 50 50 SER CB C 50 64.010 63.849 0.161 1
1 591 . 13 1 1 A 50 50 SER N N 50 117.321 119.745 -2.424 1
1 592 . 13 1 1 A 51 51 ASN H H 51 8.488 8.522 -0.034 1
1 593 . 13 1 1 A 51 51 ASN HA H 51 4.657 4.669 -0.012 1
1 598 . 13 1 1 A 51 51 ASN C C 51 175.122 176.273 -1.151 1
1 599 . 13 1 1 A 51 51 ASN CA C 51 53.780 53.857 -0.077 1
1 600 . 13 1 1 A 51 51 ASN CB C 51 38.770 39.086 -0.316 1
1 601 . 13 1 1 A 51 51 ASN N N 51 120.903 122.773 -1.870 1
1 603 . 13 1 1 A 52 52 ASP H H 52 8.231 8.590 -0.359 1
1 604 . 13 1 1 A 52 52 ASP HA H 52 4.517 4.671 -0.154 1
1 607 . 13 1 1 A 52 52 ASP C C 52 176.291 175.639 0.652 1
1 608 . 13 1 1 A 52 52 ASP CA C 52 54.500 53.306 1.194 1
1 609 . 13 1 1 A 52 52 ASP CB C 52 41.170 39.592 1.578 1
1 610 . 13 1 1 A 52 52 ASP N N 52 120.236 122.537 -2.301 1
1 611 . 13 1 1 A 53 53 GLU H H 53 8.139 8.187 -0.048 1
1 612 . 13 1 1 A 53 53 GLU HA H 53 4.194 4.059 0.135 1
1 617 . 13 1 1 A 53 53 GLU C C 53 176.606 176.150 0.456 1
1 618 . 13 1 1 A 53 53 GLU CA C 53 56.930 57.166 -0.236 1
1 619 . 13 1 1 A 53 53 GLU CB C 53 30.500 27.048 3.452 1
1 621 . 13 1 1 A 53 53 GLU N N 53 120.655 113.603 7.052 1
1 622 . 13 1 1 A 54 54 VAL H H 54 8.061 7.702 0.359 1
1 623 . 13 1 1 A 54 54 VAL HA H 54 3.978 3.772 0.206 1
1 631 . 13 1 1 A 54 54 VAL C C 54 176.278 176.422 -0.144 1
1 632 . 13 1 1 A 54 54 VAL CA C 54 62.880 65.966 -3.086 1
1 633 . 13 1 1 A 54 54 VAL CB C 54 32.660 32.344 0.316 1
1 636 . 13 1 1 A 54 54 VAL N N 54 121.320 117.665 3.655 1
1 637 . 13 1 1 A 55 55 LEU H H 55 8.209 7.511 0.698 1
1 638 . 13 1 1 A 55 55 LEU HA H 55 4.273 4.503 -0.230 1
1 648 . 13 1 1 A 55 55 LEU C C 55 177.355 176.631 0.724 1
1 649 . 13 1 1 A 55 55 LEU CA C 55 55.290 54.657 0.633 1
1 650 . 13 1 1 A 55 55 LEU CB C 55 42.190 43.166 -0.976 1
1 654 . 13 1 1 A 55 55 LEU N N 55 125.139 121.206 3.933 1
1 655 . 13 1 1 A 56 56 ASP H H 56 8.204 9.261 -1.057 1
1 656 . 13 1 1 A 56 56 ASP HA H 56 4.516 4.741 -0.225 1
1 659 . 13 1 1 A 56 56 ASP C C 56 176.633 177.504 -0.871 1
1 660 . 13 1 1 A 56 56 ASP CA C 56 54.360 54.487 -0.127 1
1 661 . 13 1 1 A 56 56 ASP CB C 56 41.070 40.873 0.197 1
1 662 . 13 1 1 A 56 56 ASP N N 56 121.154 127.741 -6.587 1
1 663 . 13 1 1 A 57 57 GLU H H 57 8.316 7.934 0.382 1
1 664 . 13 1 1 A 57 57 GLU HA H 57 4.164 4.246 -0.082 1
1 669 . 13 1 1 A 57 57 GLU C C 57 177.158 177.312 -0.154 1
1 670 . 13 1 1 A 57 57 GLU CA C 57 57.650 58.526 -0.876 1
1 671 . 13 1 1 A 57 57 GLU CB C 57 30.020 29.624 0.396 1
1 673 . 13 1 1 A 57 57 GLU N N 57 120.771 118.292 2.479 1
1 674 . 13 1 1 A 58 58 LEU H H 58 8.204 7.515 0.689 1
1 675 . 13 1 1 A 58 58 LEU HA H 58 4.231 4.117 0.114 1
1 685 . 13 1 1 A 58 58 LEU C C 58 178.538 176.263 2.275 1
1 686 . 13 1 1 A 58 58 LEU CA C 58 55.690 54.140 1.550 1
1 687 . 13 1 1 A 58 58 LEU CB C 58 42.230 41.296 0.934 1
1 691 . 13 1 1 A 58 58 LEU N N 58 120.716 121.395 -0.679 1
1 692 . 13 1 1 A 59 59 GLY H H 59 8.212 8.566 -0.354 1
1 693 . 13 1 1 A 59 59 GLY HA2 H 59 3.917 4.041 -0.124 1
1 694 . 13 1 1 A 59 59 GLY HA3 H 59 3.917 4.046 -0.129 1
1 695 . 13 1 1 A 59 59 GLY C C 59 174.294 175.451 -1.157 1
1 696 . 13 1 1 A 59 59 GLY CA C 59 45.550 45.164 0.386 1
1 697 . 13 1 1 A 59 59 GLY N N 59 108.670 112.247 -3.577 1
1 698 . 13 1 1 A 60 60 GLN H H 60 8.310 8.773 -0.463 1
1 699 . 13 1 1 A 60 60 GLN HA H 60 4.079 4.004 0.075 1
1 706 . 13 1 1 A 60 60 GLN C C 60 177.171 177.605 -0.434 1
1 707 . 13 1 1 A 60 60 GLN CA C 60 57.590 59.005 -1.415 1
1 708 . 13 1 1 A 60 60 GLN CB C 60 28.960 28.867 0.093 1
1 710 . 13 1 1 A 60 60 GLN N N 60 120.662 122.504 -1.842 1
1 712 . 13 1 1 A 61 61 VAL H H 61 8.136 8.200 -0.064 1
1 713 . 13 1 1 A 61 61 VAL HA H 61 3.971 3.723 0.248 1
1 721 . 13 1 1 A 61 61 VAL C C 61 178.262 178.097 0.165 1
1 722 . 13 1 1 A 61 61 VAL CA C 61 64.420 65.906 -1.486 1
1 723 . 13 1 1 A 61 61 VAL CB C 61 32.110 30.951 1.159 1
1 726 . 13 1 1 A 61 61 VAL N N 61 119.154 118.770 0.384 1
1 727 . 13 1 1 A 62 62 GLY H H 62 8.183 8.142 0.041 1
1 728 . 13 1 1 A 62 62 GLY HA2 H 62 3.966 3.677 0.289 1
1 729 . 13 1 1 A 62 62 GLY HA3 H 62 3.783 3.677 0.106 1
1 730 . 13 1 1 A 62 62 GLY C C 62 174.872 175.912 -1.040 1
1 731 . 13 1 1 A 62 62 GLY CA C 62 46.780 47.175 -0.395 1
1 732 . 13 1 1 A 62 62 GLY N N 62 110.813 108.642 2.171 1
1 733 . 13 1 1 A 63 63 GLN H H 63 8.235 7.873 0.362 1
1 734 . 13 1 1 A 63 63 GLN HA H 63 3.966 3.937 0.029 1
1 741 . 13 1 1 A 63 63 GLN C C 63 178.170 178.234 -0.064 1
1 742 . 13 1 1 A 63 63 GLN CA C 63 58.990 58.683 0.307 1
1 743 . 13 1 1 A 63 63 GLN CB C 63 28.500 28.375 0.125 1
1 745 . 13 1 1 A 63 63 GLN N N 63 120.667 121.747 -1.080 1
1 747 . 13 1 1 A 64 64 ASP H H 64 8.386 8.078 0.308 1
1 748 . 13 1 1 A 64 64 ASP HA H 64 4.347 4.478 -0.131 1
1 751 . 13 1 1 A 64 64 ASP C C 64 178.669 179.060 -0.391 1
1 752 . 13 1 1 A 64 64 ASP CA C 64 56.860 56.629 0.231 1
1 753 . 13 1 1 A 64 64 ASP CB C 64 39.970 40.045 -0.075 1
1 754 . 13 1 1 A 64 64 ASP N N 64 120.058 119.796 0.262 1
1 755 . 13 1 1 A 65 65 GLU H H 65 7.992 7.626 0.366 1
1 756 . 13 1 1 A 65 65 GLU HA H 65 3.542 4.002 -0.460 1
1 761 . 13 1 1 A 65 65 GLU C C 65 177.842 178.760 -0.918 1
1 762 . 13 1 1 A 65 65 GLU CA C 65 59.560 58.803 0.757 1
1 763 . 13 1 1 A 65 65 GLU CB C 65 29.100 29.335 -0.235 1
1 765 . 13 1 1 A 65 65 GLU N N 65 123.846 120.235 3.611 1
1 766 . 13 1 1 A 66 66 LEU H H 66 8.100 8.281 -0.181 1
1 767 . 13 1 1 A 66 66 LEU HA H 66 3.783 3.804 -0.021 1
1 777 . 13 1 1 A 66 66 LEU C C 66 178.893 178.881 0.012 1
1 778 . 13 1 1 A 66 66 LEU CA C 66 58.610 57.571 1.039 1
1 779 . 13 1 1 A 66 66 LEU CB C 66 41.510 41.374 0.136 1
1 783 . 13 1 1 A 66 66 LEU N N 66 119.444 120.036 -0.592 1
1 784 . 13 1 1 A 67 67 ARG H H 67 7.870 8.300 -0.430 1
1 785 . 13 1 1 A 67 67 ARG HA H 67 4.095 3.842 0.253 1
1 792 . 13 1 1 A 67 67 ARG C C 67 179.484 178.070 1.414 1
1 793 . 13 1 1 A 67 67 ARG CA C 67 59.490 59.696 -0.206 1
1 794 . 13 1 1 A 67 67 ARG CB C 67 30.230 29.944 0.286 1
1 797 . 13 1 1 A 67 67 ARG N N 67 118.088 119.858 -1.770 1
1 798 . 13 1 1 A 68 68 ALA H H 68 7.820 7.690 0.130 1
1 799 . 13 1 1 A 68 68 ALA HA H 68 4.188 4.066 0.122 1
1 803 . 13 1 1 A 68 68 ALA C C 68 181.626 180.141 1.485 1
1 804 . 13 1 1 A 68 68 ALA CA C 68 54.840 54.894 -0.054 1
1 805 . 13 1 1 A 68 68 ALA CB C 68 18.400 18.230 0.170 1
1 806 . 13 1 1 A 68 68 ALA N N 68 123.318 121.513 1.805 1
1 807 . 13 1 1 A 69 69 ILE H H 69 8.643 7.618 1.025 1
1 808 . 13 1 1 A 69 69 ILE HA H 69 3.539 3.718 -0.179 1
1 818 . 13 1 1 A 69 69 ILE C C 69 177.290 177.581 -0.291 1
1 819 . 13 1 1 A 69 69 ILE CA C 69 66.370 65.375 0.995 1
1 820 . 13 1 1 A 69 69 ILE CB C 69 38.090 38.136 -0.046 1
1 824 . 13 1 1 A 69 69 ILE N N 69 122.954 119.232 3.722 1
1 825 . 13 1 1 A 70 70 ASP H H 70 8.415 8.442 -0.027 1
1 826 . 13 1 1 A 70 70 ASP HA H 70 4.336 4.401 -0.065 1
1 829 . 13 1 1 A 70 70 ASP C C 70 179.786 178.690 1.096 1
1 830 . 13 1 1 A 70 70 ASP CA C 70 58.130 57.029 1.101 1
1 831 . 13 1 1 A 70 70 ASP CB C 70 40.310 40.547 -0.237 1
1 832 . 13 1 1 A 70 70 ASP N N 70 121.571 119.824 1.747 1
1 833 . 13 1 1 A 71 71 ALA H H 71 7.869 7.900 -0.031 1
1 834 . 13 1 1 A 71 71 ALA HA H 71 4.215 4.194 0.021 1
1 838 . 13 1 1 A 71 71 ALA C C 71 180.246 180.112 0.134 1
1 839 . 13 1 1 A 71 71 ALA CA C 71 54.500 54.774 -0.274 1
1 840 . 13 1 1 A 71 71 ALA CB C 71 17.680 18.311 -0.631 1
1 841 . 13 1 1 A 71 71 ALA N N 71 121.459 122.581 -1.122 1
1 842 . 13 1 1 A 72 72 ALA H H 72 8.263 7.809 0.454 1
1 843 . 13 1 1 A 72 72 ALA HA H 72 4.045 4.246 -0.201 1
1 847 . 13 1 1 A 72 72 ALA C C 72 179.668 180.299 -0.631 1
1 848 . 13 1 1 A 72 72 ALA CA C 72 55.560 55.157 0.403 1
1 849 . 13 1 1 A 72 72 ALA CB C 72 19.870 18.475 1.395 1
1 850 . 13 1 1 A 72 72 ALA N N 72 123.378 121.019 2.359 1
1 851 . 13 1 1 A 73 73 LEU H H 73 8.790 8.405 0.385 1
1 852 . 13 1 1 A 73 73 LEU HA H 73 3.920 4.005 -0.085 1
1 862 . 13 1 1 A 73 73 LEU C C 73 180.286 179.403 0.883 1
1 863 . 13 1 1 A 73 73 LEU CA C 73 58.130 57.774 0.356 1
1 864 . 13 1 1 A 73 73 LEU CB C 73 41.200 40.948 0.252 1
1 868 . 13 1 1 A 73 73 LEU N N 73 119.015 119.196 -0.181 1
1 869 . 13 1 1 A 74 74 ALA H H 74 7.931 7.982 -0.051 1
1 870 . 13 1 1 A 74 74 ALA HA H 74 4.273 4.045 0.228 1
1 874 . 13 1 1 A 74 74 ALA C C 74 180.811 179.710 1.101 1
1 875 . 13 1 1 A 74 74 ALA CA C 74 54.960 55.050 -0.090 1
1 876 . 13 1 1 A 74 74 ALA CB C 74 17.690 17.987 -0.297 1
1 877 . 13 1 1 A 74 74 ALA N N 74 124.135 122.292 1.843 1
1 878 . 13 1 1 A 75 75 ARG H H 75 7.898 7.707 0.191 1
1 879 . 13 1 1 A 75 75 ARG HA H 75 4.138 4.074 0.064 1
1 886 . 13 1 1 A 75 75 ARG C C 75 179.721 179.255 0.466 1
1 887 . 13 1 1 A 75 75 ARG CA C 75 60.170 59.097 1.073 1
1 888 . 13 1 1 A 75 75 ARG CB C 75 29.970 29.839 0.131 1
1 891 . 13 1 1 A 75 75 ARG N N 75 120.143 117.227 2.916 1
1 892 . 13 1 1 A 76 76 ILE H H 76 8.061 7.950 0.111 1
1 893 . 13 1 1 A 76 76 ILE HA H 76 3.697 3.852 -0.155 1
1 903 . 13 1 1 A 76 76 ILE C C 76 179.392 177.934 1.458 1
1 904 . 13 1 1 A 76 76 ILE CA C 76 66.060 65.110 0.950 1
1 905 . 13 1 1 A 76 76 ILE CB C 76 37.240 37.455 -0.215 1
1 909 . 13 1 1 A 76 76 ILE N N 76 121.537 122.219 -0.682 1
1 910 . 13 1 1 A 77 77 ALA H H 77 7.735 8.206 -0.471 1
1 911 . 13 1 1 A 77 77 ALA HA H 77 4.132 4.119 0.013 1
1 915 . 13 1 1 A 77 77 ALA C C 77 179.326 179.981 -0.655 1
1 916 . 13 1 1 A 77 77 ALA CA C 77 54.910 55.272 -0.362 1
1 917 . 13 1 1 A 77 77 ALA CB C 77 17.950 18.113 -0.163 1
1 918 . 13 1 1 A 77 77 ALA N N 77 122.664 122.688 -0.024 1
1 919 . 13 1 1 A 78 78 SER H H 78 7.999 7.480 0.519 1
1 920 . 13 1 1 A 78 78 SER HA H 78 4.472 4.524 -0.052 1
1 923 . 13 1 1 A 78 78 SER C C 78 174.675 174.837 -0.162 1
1 924 . 13 1 1 A 78 78 SER CA C 78 59.260 58.660 0.600 1
1 925 . 13 1 1 A 78 78 SER CB C 78 64.070 63.860 0.210 1
1 926 . 13 1 1 A 78 78 SER N N 78 111.061 110.663 0.398 1
1 927 . 13 1 1 A 79 79 GLY H H 79 7.844 7.797 0.047 1
1 928 . 13 1 1 A 79 79 GLY HA2 H 79 4.233 3.945 0.288 1
1 929 . 13 1 1 A 79 79 GLY HA3 H 79 4.087 3.964 0.123 1
1 930 . 13 1 1 A 79 79 GLY C C 79 175.687 174.200 1.487 1
1 931 . 13 1 1 A 79 79 GLY CA C 79 46.470 45.603 0.867 1
1 932 . 13 1 1 A 79 79 GLY N N 79 109.909 108.954 0.955 1
1 933 . 13 1 1 A 80 80 THR H H 80 8.408 7.799 0.609 1
1 934 . 13 1 1 A 80 80 THR HA H 80 4.504 4.468 0.036 1
1 939 . 13 1 1 A 80 80 THR C C 80 174.793 174.224 0.569 1
1 940 . 13 1 1 A 80 80 THR CA C 80 60.280 61.415 -1.135 1
1 941 . 13 1 1 A 80 80 THR CB C 80 69.000 69.185 -0.185 1
1 943 . 13 1 1 A 80 80 THR N N 80 109.416 115.911 -6.495 1
1 944 . 13 1 1 A 81 81 PHE H H 81 7.610 7.782 -0.172 1
1 945 . 13 1 1 A 81 81 PHE HA H 81 3.944 4.264 -0.320 1
1 950 . 13 1 1 A 81 81 PHE C C 81 176.462 176.869 -0.407 1
1 951 . 13 1 1 A 81 81 PHE CA C 81 59.940 59.878 0.062 1
1 952 . 13 1 1 A 81 81 PHE CB C 81 39.700 38.809 0.891 1
1 954 . 13 1 1 A 81 81 PHE N N 81 123.672 123.351 0.321 1
1 955 . 13 1 1 A 82 82 GLY H H 82 8.827 7.989 0.838 1
1 956 . 13 1 1 A 82 82 GLY HA2 H 82 4.000 3.370 0.630 1
1 957 . 13 1 1 A 82 82 GLY HA3 H 82 2.606 3.576 -0.970 1
1 958 . 13 1 1 A 82 82 GLY C C 82 172.388 174.171 -1.783 1
1 959 . 13 1 1 A 82 82 GLY CA C 82 44.590 46.614 -2.024 1
1 960 . 13 1 1 A 82 82 GLY N N 82 115.493 113.535 1.958 1
1 961 . 13 1 1 A 83 83 THR H H 83 7.265 7.523 -0.258 1
1 962 . 13 1 1 A 83 83 THR HA H 83 4.418 4.632 -0.214 1
1 967 . 13 1 1 A 83 83 THR C C 83 173.808 173.019 0.789 1
1 968 . 13 1 1 A 83 83 THR CA C 83 61.180 61.074 0.106 1
1 969 . 13 1 1 A 83 83 THR CB C 83 70.020 71.270 -1.250 1
1 971 . 13 1 1 A 83 83 THR N N 83 115.366 113.792 1.574 1
1 972 . 13 1 1 A 84 84 CYS H H 84 9.410 8.552 0.858 1
1 973 . 13 1 1 A 84 84 CYS HA H 84 4.339 4.759 -0.420 1
1 976 . 13 1 1 A 84 84 CYS C C 84 177.986 175.597 2.389 1
1 977 . 13 1 1 A 84 84 CYS CA C 84 60.080 59.394 0.686 1
1 978 . 13 1 1 A 84 84 CYS CB C 84 30.630 27.823 2.807 1
1 979 . 13 1 1 A 84 84 CYS N N 84 131.144 125.397 5.747 1
1 980 . 13 1 1 A 85 85 VAL H H 85 8.461 8.401 0.060 1
1 981 . 13 1 1 A 85 85 VAL HA H 85 3.918 3.697 0.221 1
1 989 . 13 1 1 A 85 85 VAL C C 85 175.608 177.607 -1.999 1
1 990 . 13 1 1 A 85 85 VAL CA C 85 64.080 65.301 -1.221 1
1 991 . 13 1 1 A 85 85 VAL CB C 85 31.730 31.292 0.438 1
1 994 . 13 1 1 A 85 85 VAL N N 85 126.221 125.355 0.866 1
1 995 . 13 1 1 A 86 86 LYS H H 86 8.924 8.176 0.748 1
1 996 . 13 1 1 A 86 86 LYS HA H 86 4.496 4.102 0.394 1
1 1005 . 13 1 1 A 86 86 LYS C C 86 177.277 178.612 -1.335 1
1 1006 . 13 1 1 A 86 86 LYS CA C 86 58.500 58.867 -0.367 1
1 1007 . 13 1 1 A 86 86 LYS CB C 86 33.780 32.103 1.677 1
1 1011 . 13 1 1 A 86 86 LYS N N 86 123.551 121.204 2.347 1
1 1012 . 13 1 1 A 87 87 CYS H H 87 8.264 7.598 0.666 1
1 1013 . 13 1 1 A 87 87 CYS HA H 87 4.925 4.479 0.446 1
1 1016 . 13 1 1 A 87 87 CYS C C 87 177.211 175.426 1.785 1
1 1017 . 13 1 1 A 87 87 CYS CA C 87 58.980 59.492 -0.512 1
1 1018 . 13 1 1 A 87 87 CYS CB C 87 33.100 28.430 4.670 1
1 1019 . 13 1 1 A 87 87 CYS N N 87 117.502 115.688 1.814 1
1 1020 . 13 1 1 A 88 88 GLY H H 88 7.655 8.666 -1.011 1
1 1021 . 13 1 1 A 88 88 GLY HA2 H 88 4.159 3.943 0.216 1
1 1022 . 13 1 1 A 88 88 GLY HA3 H 88 3.729 3.943 -0.214 1
1 1023 . 13 1 1 A 88 88 GLY C C 88 173.558 173.596 -0.038 1
1 1024 . 13 1 1 A 88 88 GLY CA C 88 46.300 46.049 0.251 1
1 1025 . 13 1 1 A 88 88 GLY N N 88 111.948 110.184 1.764 1
1 1026 . 13 1 1 A 89 89 LYS H H 89 8.721 7.511 1.210 1
1 1027 . 13 1 1 A 89 89 LYS HA H 89 4.315 4.862 -0.547 1
1 1036 . 13 1 1 A 89 89 LYS C C 89 176.659 175.279 1.380 1
1 1037 . 13 1 1 A 89 89 LYS CA C 89 56.860 54.124 2.736 1
1 1038 . 13 1 1 A 89 89 LYS CB C 89 33.540 36.759 -3.219 1
1 1042 . 13 1 1 A 89 89 LYS N N 89 123.614 119.843 3.771 1
1 1043 . 13 1 1 A 90 90 ARG H H 90 8.415 8.253 0.162 1
1 1044 . 13 1 1 A 90 90 ARG HA H 90 4.299 4.625 -0.326 1
1 1051 . 13 1 1 A 90 90 ARG C C 90 176.041 176.287 -0.246 1
1 1052 . 13 1 1 A 90 90 ARG CA C 90 56.030 56.771 -0.741 1
1 1053 . 13 1 1 A 90 90 ARG CB C 90 29.470 30.868 -1.398 1
1 1056 . 13 1 1 A 90 90 ARG N N 90 121.880 120.610 1.270 1
1 1057 . 13 1 1 A 91 91 ILE H H 91 8.334 8.280 0.054 1
1 1058 . 13 1 1 A 91 91 ILE HA H 91 3.668 4.478 -0.810 1
1 1068 . 13 1 1 A 91 91 ILE C C 91 175.003 176.346 -1.343 1
1 1069 . 13 1 1 A 91 91 ILE CA C 91 61.810 60.067 1.743 1
1 1070 . 13 1 1 A 91 91 ILE CB C 91 38.920 38.633 0.287 1
1 1074 . 13 1 1 A 91 91 ILE N N 91 128.410 122.979 5.431 1
1 1075 . 13 1 1 A 92 92 SER H H 92 8.551 8.764 -0.213 1
1 1076 . 13 1 1 A 92 92 SER HA H 92 4.180 4.452 -0.272 1
1 1079 . 13 1 1 A 92 92 SER C C 92 175.108 175.289 -0.181 1
1 1080 . 13 1 1 A 92 92 SER CA C 92 58.460 58.016 0.444 1
1 1081 . 13 1 1 A 92 92 SER CB C 92 64.180 64.102 0.078 1
1 1082 . 13 1 1 A 92 92 SER N N 92 124.170 120.557 3.613 1
1 1083 . 13 1 1 A 93 93 GLU H H 93 8.912 8.969 -0.057 1
1 1084 . 13 1 1 A 93 93 GLU HA H 93 3.939 3.997 -0.058 1
1 1089 . 13 1 1 A 93 93 GLU C C 93 178.144 178.003 0.141 1
1 1090 . 13 1 1 A 93 93 GLU CA C 93 60.080 59.153 0.927 1
1 1091 . 13 1 1 A 93 93 GLU CB C 93 29.960 29.478 0.482 1
1 1093 . 13 1 1 A 93 93 GLU N N 93 123.996 124.604 -0.608 1
1 1094 . 13 1 1 A 94 94 ASP H H 94 8.311 8.319 -0.008 1
1 1095 . 13 1 1 A 94 94 ASP HA H 94 4.252 4.460 -0.208 1
1 1098 . 13 1 1 A 94 94 ASP C C 94 178.472 178.607 -0.135 1
1 1099 . 13 1 1 A 94 94 ASP CA C 94 57.240 56.502 0.738 1
1 1100 . 13 1 1 A 94 94 ASP CB C 94 40.420 40.121 0.299 1
1 1101 . 13 1 1 A 94 94 ASP N N 94 116.432 120.341 -3.909 1
1 1102 . 13 1 1 A 95 95 ARG H H 95 7.365 7.898 -0.533 1
1 1103 . 13 1 1 A 95 95 ARG HA H 95 4.067 4.127 -0.060 1
1 1110 . 13 1 1 A 95 95 ARG C C 95 177.237 178.808 -1.571 1
1 1111 . 13 1 1 A 95 95 ARG CA C 95 58.870 58.659 0.211 1
1 1112 . 13 1 1 A 95 95 ARG CB C 95 29.100 29.976 -0.876 1
1 1115 . 13 1 1 A 95 95 ARG N N 95 121.517 120.675 0.842 1
1 1116 . 13 1 1 A 96 96 LEU H H 96 7.831 7.929 -0.098 1
1 1117 . 13 1 1 A 96 96 LEU HA H 96 3.735 3.783 -0.048 1
1 1127 . 13 1 1 A 96 96 LEU C C 96 177.855 179.679 -1.824 1
1 1128 . 13 1 1 A 96 96 LEU CA C 96 56.930 57.747 -0.817 1
1 1129 . 13 1 1 A 96 96 LEU CB C 96 41.300 40.958 0.342 1
1 1133 . 13 1 1 A 96 96 LEU N N 96 119.073 119.721 -0.648 1
1 1134 . 13 1 1 A 97 97 LYS H H 97 8.098 8.461 -0.363 1
1 1135 . 13 1 1 A 97 97 LYS HA H 97 4.014 4.305 -0.291 1
1 1144 . 13 1 1 A 97 97 LYS C C 97 178.433 178.696 -0.263 1
1 1145 . 13 1 1 A 97 97 LYS CA C 97 59.080 58.998 0.082 1
1 1146 . 13 1 1 A 97 97 LYS CB C 97 32.830 31.850 0.980 1
1 1150 . 13 1 1 A 97 97 LYS N N 97 114.647 118.244 -3.597 1
1 1151 . 13 1 1 A 98 98 ALA H H 98 7.011 7.240 -0.229 1
1 1152 . 13 1 1 A 98 98 ALA HA H 98 4.196 4.267 -0.071 1
1 1156 . 13 1 1 A 98 98 ALA C C 98 178.814 177.947 0.867 1
1 1157 . 13 1 1 A 98 98 ALA CA C 98 54.480 53.846 0.634 1
1 1158 . 13 1 1 A 98 98 ALA CB C 98 19.380 19.496 -0.116 1
1 1159 . 13 1 1 A 98 98 ALA N N 98 119.536 120.493 -0.957 1
1 1160 . 13 1 1 A 99 99 VAL H H 99 8.133 7.615 0.518 1
1 1161 . 13 1 1 A 99 99 VAL HA H 99 4.098 4.171 -0.073 1
1 1169 . 13 1 1 A 99 99 VAL CA C 99 58.260 59.527 -1.267 1
1 1170 . 13 1 1 A 99 99 VAL CB C 99 32.530 32.637 -0.107 1
1 1173 . 13 1 1 A 99 99 VAL N N 99 114.735 115.222 -0.487 1
1 1174 . 13 1 1 A 100 100 PRO HA H 100 4.761 4.218 0.543 1
1 1181 . 13 1 1 A 100 100 PRO C C 100 175.437 177.334 -1.897 1
1 1182 . 13 1 1 A 100 100 PRO CA C 100 65.370 64.422 0.948 1
1 1183 . 13 1 1 A 100 100 PRO CB C 100 31.190 31.814 -0.624 1
1 1186 . 13 1 1 A 101 101 TYR H H 101 6.053 7.599 -1.546 1
1 1187 . 13 1 1 A 101 101 TYR HA H 101 4.463 4.583 -0.120 1
1 1194 . 13 1 1 A 101 101 TYR C C 101 175.871 176.111 -0.240 1
1 1195 . 13 1 1 A 101 101 TYR CA C 101 53.920 58.051 -4.131 1
1 1196 . 13 1 1 A 101 101 TYR CB C 101 38.230 38.379 -0.149 1
1 1199 . 13 1 1 A 101 101 TYR N N 101 108.211 114.671 -6.460 1
1 1200 . 13 1 1 A 102 102 THR H H 102 7.466 7.388 0.078 1
1 1201 . 13 1 1 A 102 102 THR HA H 102 4.384 4.422 -0.038 1
1 1206 . 13 1 1 A 102 102 THR CA C 102 60.030 59.667 0.363 1
1 1207 . 13 1 1 A 102 102 THR CB C 102 69.600 69.799 -0.199 1
1 1209 . 13 1 1 A 102 102 THR N N 102 120.556 115.609 4.947 1
1 1210 . 13 1 1 A 103 103 PRO HA H 103 4.244 4.329 -0.085 1
1 1217 . 13 1 1 A 103 103 PRO C C 103 176.344 175.671 0.673 1
1 1218 . 13 1 1 A 103 103 PRO CA C 103 62.400 63.756 -1.356 1
1 1219 . 13 1 1 A 103 103 PRO CB C 103 32.250 31.111 1.139 1
1 1222 . 13 1 1 A 104 104 PHE H H 104 7.365 6.797 0.568 1
1 1223 . 13 1 1 A 104 104 PHE HA H 104 6.207 5.095 1.112 1
1 1230 . 13 1 1 A 104 104 PHE C C 104 176.133 175.624 0.509 1
1 1231 . 13 1 1 A 104 104 PHE CA C 104 55.220 56.503 -1.283 1
1 1232 . 13 1 1 A 104 104 PHE CB C 104 44.480 42.245 2.235 1
1 1235 . 13 1 1 A 104 104 PHE N N 104 115.933 118.131 -2.198 1
1 1236 . 13 1 1 A 105 105 CYS H H 105 9.248 8.760 0.488 1
1 1237 . 13 1 1 A 105 105 CYS HA H 105 4.638 4.770 -0.132 1
1 1240 . 13 1 1 A 105 105 CYS C C 105 174.254 175.774 -1.520 1
1 1241 . 13 1 1 A 105 105 CYS CA C 105 58.060 57.440 0.620 1
1 1242 . 13 1 1 A 105 105 CYS CB C 105 31.250 30.119 1.131 1
1 1243 . 13 1 1 A 105 105 CYS N N 105 118.999 119.754 -0.755 1
1 1244 . 13 1 1 A 106 106 GLN H H 106 8.865 8.939 -0.074 1
1 1245 . 13 1 1 A 106 106 GLN HA H 106 3.611 3.918 -0.307 1
1 1252 . 13 1 1 A 106 106 GLN C C 106 177.250 177.780 -0.530 1
1 1253 . 13 1 1 A 106 106 GLN CA C 106 59.430 59.453 -0.023 1
1 1254 . 13 1 1 A 106 106 GLN CB C 106 28.750 28.828 -0.078 1
1 1256 . 13 1 1 A 106 106 GLN N N 106 119.606 122.492 -2.886 1
1 1258 . 13 1 1 A 107 107 GLU H H 107 8.134 8.166 -0.032 1
1 1259 . 13 1 1 A 107 107 GLU HA H 107 3.959 4.123 -0.164 1
1 1264 . 13 1 1 A 107 107 GLU C C 107 179.616 178.563 1.053 1
1 1265 . 13 1 1 A 107 107 GLU CA C 107 60.110 59.158 0.952 1
1 1266 . 13 1 1 A 107 107 GLU CB C 107 29.990 29.306 0.684 1
1 1268 . 13 1 1 A 107 107 GLU N N 107 119.554 116.940 2.614 1
1 1269 . 13 1 1 A 108 108 CYS H H 108 8.681 8.060 0.621 1
1 1270 . 13 1 1 A 108 108 CYS HA H 108 3.783 4.117 -0.334 1
1 1273 . 13 1 1 A 108 108 CYS C C 108 177.868 176.892 0.976 1
1 1274 . 13 1 1 A 108 108 CYS CA C 108 64.110 63.111 0.999 1
1 1275 . 13 1 1 A 108 108 CYS CB C 108 29.270 26.879 2.391 1
1 1276 . 13 1 1 A 108 108 CYS N N 108 123.406 118.802 4.604 1
1 1277 . 13 1 1 A 109 109 ALA H H 109 8.094 8.072 0.022 1
1 1278 . 13 1 1 A 109 109 ALA HA H 109 3.693 4.236 -0.543 1
1 1282 . 13 1 1 A 109 109 ALA C C 109 178.591 180.042 -1.451 1
1 1283 . 13 1 1 A 109 109 ALA CA C 109 53.710 55.067 -1.357 1
1 1284 . 13 1 1 A 109 109 ALA CB C 109 18.430 18.455 -0.025 1
1 1285 . 13 1 1 A 109 109 ALA N N 109 120.579 122.463 -1.884 1
1 1286 . 13 1 1 A 110 110 ALA H H 110 7.402 7.686 -0.284 1
1 1287 . 13 1 1 A 110 110 ALA HA H 110 4.111 4.152 -0.041 1
1 1291 . 13 1 1 A 110 110 ALA C C 110 177.408 178.057 -0.649 1
1 1292 . 13 1 1 A 110 110 ALA CA C 110 53.000 53.409 -0.409 1
1 1293 . 13 1 1 A 110 110 ALA CB C 110 18.710 18.583 0.127 1
1 1294 . 13 1 1 A 110 110 ALA N N 110 118.992 119.821 -0.829 1
1 1295 . 13 1 1 A 111 111 ALA H H 111 7.247 7.358 -0.111 1
1 1296 . 13 1 1 A 111 111 ALA HA H 111 4.300 4.292 0.008 1
1 1300 . 13 1 1 A 111 111 ALA C C 111 176.488 177.749 -1.261 1
1 1301 . 13 1 1 A 111 111 ALA CA C 111 51.840 52.445 -0.605 1
1 1302 . 13 1 1 A 111 111 ALA CB C 111 19.210 19.924 -0.714 1
1 1303 . 13 1 1 A 111 111 ALA N N 111 120.857 119.543 1.314 1
1 19 . 14 1 1 A 2 2 ALA H H 2 8.460 8.547 -0.087 1
1 20 . 14 1 1 A 2 2 ALA HA H 2 4.304 4.075 0.229 1
1 24 . 14 1 1 A 2 2 ALA C C 2 178.183 176.673 1.510 1
1 25 . 14 1 1 A 2 2 ALA CA C 2 52.760 54.084 -1.324 1
1 26 . 14 1 1 A 2 2 ALA CB C 2 19.150 18.305 0.845 1
1 27 . 14 1 1 A 2 2 ALA N N 2 125.375 130.284 -4.909 1
1 28 . 14 1 1 A 3 3 GLY H H 3 8.343 8.585 -0.242 1
1 29 . 14 1 1 A 3 3 GLY N N 3 108.577 106.504 2.073 1
1 30 . 14 1 1 A 5 5 LYS HA H 5 4.355 4.346 0.009 1
1 39 . 14 1 1 A 5 5 LYS CA C 5 56.170 55.745 0.425 1
1 40 . 14 1 1 A 5 5 LYS CB C 5 33.170 32.876 0.294 1
1 44 . 14 1 1 A 6 6 SER HA H 6 4.429 4.098 0.331 1
1 47 . 14 1 1 A 6 6 SER CA C 6 58.390 61.881 -3.491 1
1 48 . 14 1 1 A 6 6 SER CB C 6 64.040 63.024 1.016 1
1 49 . 14 1 1 A 7 7 MET HA H 7 4.435 4.399 0.036 1
1 57 . 14 1 1 A 7 7 MET CA C 7 55.610 56.846 -1.236 1
1 58 . 14 1 1 A 7 7 MET CB C 7 33.550 33.755 -0.205 1
1 61 . 14 1 1 A 8 8 ASN HA H 8 4.837 4.363 0.474 1
1 66 . 14 1 1 A 8 8 ASN C C 8 175.910 174.701 1.209 1
1 67 . 14 1 1 A 8 8 ASN CA C 8 52.310 54.183 -1.873 1
1 68 . 14 1 1 A 8 8 ASN CB C 8 38.190 36.216 1.974 1
1 70 . 14 1 1 A 9 9 VAL H H 9 8.400 7.758 0.642 1
1 71 . 14 1 1 A 9 9 VAL HA H 9 3.908 3.737 0.171 1
1 79 . 14 1 1 A 9 9 VAL C C 9 176.738 177.796 -1.058 1
1 80 . 14 1 1 A 9 9 VAL CA C 9 65.550 67.178 -1.628 1
1 81 . 14 1 1 A 9 9 VAL CB C 9 31.970 31.606 0.364 1
1 84 . 14 1 1 A 9 9 VAL N N 9 121.216 116.739 4.477 1
1 85 . 14 1 1 A 10 10 GLU H H 10 8.596 8.052 0.544 1
1 86 . 14 1 1 A 10 10 GLU HA H 10 4.077 3.945 0.132 1
1 91 . 14 1 1 A 10 10 GLU C C 10 178.985 178.962 0.023 1
1 92 . 14 1 1 A 10 10 GLU CA C 10 59.390 59.538 -0.148 1
1 93 . 14 1 1 A 10 10 GLU CB C 10 29.000 29.243 -0.243 1
1 95 . 14 1 1 A 10 10 GLU N N 10 121.274 120.280 0.994 1
1 96 . 14 1 1 A 11 11 SER H H 11 7.841 8.077 -0.236 1
1 97 . 14 1 1 A 11 11 SER HA H 11 4.138 4.150 -0.012 1
1 100 . 14 1 1 A 11 11 SER C C 11 176.817 176.281 0.536 1
1 101 . 14 1 1 A 11 11 SER CA C 11 60.790 62.174 -1.384 1
1 102 . 14 1 1 A 11 11 SER CB C 11 62.470 63.164 -0.694 1
1 103 . 14 1 1 A 11 11 SER N N 11 115.238 116.775 -1.537 1
1 104 . 14 1 1 A 12 12 TYR H H 12 7.284 7.471 -0.187 1
1 105 . 14 1 1 A 12 12 TYR HA H 12 4.104 4.313 -0.209 1
1 112 . 14 1 1 A 12 12 TYR C C 12 177.132 178.029 -0.897 1
1 113 . 14 1 1 A 12 12 TYR CA C 12 62.060 61.457 0.603 1
1 114 . 14 1 1 A 12 12 TYR CB C 12 38.710 37.949 0.761 1
1 117 . 14 1 1 A 12 12 TYR N N 12 120.370 120.042 0.328 1
1 118 . 14 1 1 A 13 13 GLU H H 13 8.490 8.361 0.129 1
1 119 . 14 1 1 A 13 13 GLU HA H 13 3.432 3.898 -0.466 1
1 124 . 14 1 1 A 13 13 GLU C C 13 177.303 178.522 -1.219 1
1 125 . 14 1 1 A 13 13 GLU CA C 13 60.660 59.384 1.276 1
1 126 . 14 1 1 A 13 13 GLU CB C 13 29.200 28.701 0.499 1
1 128 . 14 1 1 A 13 13 GLU N N 13 120.162 120.823 -0.661 1
1 129 . 14 1 1 A 14 14 LYS H H 14 7.454 7.833 -0.379 1
1 130 . 14 1 1 A 14 14 LYS HA H 14 3.900 4.056 -0.156 1
1 139 . 14 1 1 A 14 14 LYS C C 14 178.249 178.680 -0.431 1
1 140 . 14 1 1 A 14 14 LYS CA C 14 59.620 58.964 0.656 1
1 141 . 14 1 1 A 14 14 LYS CB C 14 32.420 32.220 0.200 1
1 145 . 14 1 1 A 14 14 LYS N N 14 117.838 118.459 -0.621 1
1 146 . 14 1 1 A 15 15 ILE H H 15 7.409 7.596 -0.187 1
1 147 . 14 1 1 A 15 15 ILE HA H 15 3.822 4.008 -0.186 1
1 157 . 14 1 1 A 15 15 ILE C C 15 179.668 178.031 1.637 1
1 158 . 14 1 1 A 15 15 ILE CA C 15 65.030 62.953 2.077 1
1 159 . 14 1 1 A 15 15 ILE CB C 15 38.950 37.735 1.215 1
1 163 . 14 1 1 A 15 15 ILE N N 15 118.597 120.561 -1.964 1
1 164 . 14 1 1 A 16 16 LEU H H 16 8.407 8.092 0.315 1
1 165 . 14 1 1 A 16 16 LEU HA H 16 3.992 4.033 -0.041 1
1 175 . 14 1 1 A 16 16 LEU C C 16 178.512 178.883 -0.371 1
1 176 . 14 1 1 A 16 16 LEU CA C 16 58.230 57.850 0.380 1
1 177 . 14 1 1 A 16 16 LEU CB C 16 42.130 41.234 0.896 1
1 181 . 14 1 1 A 16 16 LEU N N 16 120.642 121.070 -0.428 1
1 182 . 14 1 1 A 17 17 ARG H H 17 8.789 8.184 0.605 1
1 183 . 14 1 1 A 17 17 ARG HA H 17 3.917 4.097 -0.180 1
1 190 . 14 1 1 A 17 17 ARG C C 17 179.602 178.990 0.612 1
1 191 . 14 1 1 A 17 17 ARG CA C 17 60.080 59.491 0.589 1
1 192 . 14 1 1 A 17 17 ARG CB C 17 29.620 30.194 -0.574 1
1 195 . 14 1 1 A 17 17 ARG N N 17 119.196 118.976 0.220 1
1 196 . 14 1 1 A 18 18 ASP H H 18 8.638 8.355 0.283 1
1 197 . 14 1 1 A 18 18 ASP HA H 18 4.418 4.419 -0.001 1
1 200 . 14 1 1 A 18 18 ASP C C 18 179.116 178.961 0.155 1
1 201 . 14 1 1 A 18 18 ASP CA C 18 57.330 57.028 0.302 1
1 202 . 14 1 1 A 18 18 ASP CB C 18 39.700 40.150 -0.450 1
1 203 . 14 1 1 A 18 18 ASP N N 18 121.383 119.987 1.396 1
1 204 . 14 1 1 A 19 19 ARG H H 19 7.947 7.951 -0.004 1
1 205 . 14 1 1 A 19 19 ARG HA H 19 4.180 4.013 0.167 1
1 212 . 14 1 1 A 19 19 ARG C C 19 177.855 179.173 -1.318 1
1 213 . 14 1 1 A 19 19 ARG CA C 19 57.680 59.403 -1.723 1
1 214 . 14 1 1 A 19 19 ARG CB C 19 29.540 29.799 -0.259 1
1 217 . 14 1 1 A 19 19 ARG N N 19 121.506 119.554 1.952 1
1 218 . 14 1 1 A 20 20 GLN H H 20 8.691 8.167 0.524 1
1 219 . 14 1 1 A 20 20 GLN HA H 20 3.589 3.745 -0.156 1
1 226 . 14 1 1 A 20 20 GLN C C 20 176.896 177.637 -0.741 1
1 227 . 14 1 1 A 20 20 GLN CA C 20 59.620 58.256 1.364 1
1 228 . 14 1 1 A 20 20 GLN CB C 20 30.020 27.474 2.546 1
1 230 . 14 1 1 A 20 20 GLN N N 20 120.162 117.593 2.569 1
1 232 . 14 1 1 A 21 21 ARG H H 21 7.959 7.586 0.373 1
1 233 . 14 1 1 A 21 21 ARG HA H 21 3.973 4.212 -0.239 1
1 240 . 14 1 1 A 21 21 ARG C C 21 178.985 179.270 -0.285 1
1 241 . 14 1 1 A 21 21 ARG CA C 21 59.800 59.656 0.144 1
1 242 . 14 1 1 A 21 21 ARG CB C 21 29.980 30.349 -0.369 1
1 245 . 14 1 1 A 21 21 ARG N N 21 117.219 119.276 -2.057 1
1 246 . 14 1 1 A 22 22 GLU H H 22 7.700 8.124 -0.424 1
1 247 . 14 1 1 A 22 22 GLU HA H 22 4.076 4.152 -0.076 1
1 252 . 14 1 1 A 22 22 GLU C C 22 179.090 178.417 0.673 1
1 253 . 14 1 1 A 22 22 GLU CA C 22 58.950 59.174 -0.224 1
1 254 . 14 1 1 A 22 22 GLU CB C 22 29.580 28.664 0.916 1
1 256 . 14 1 1 A 22 22 GLU N N 22 119.703 118.620 1.083 1
1 257 . 14 1 1 A 23 23 LEU H H 23 8.264 7.770 0.494 1
1 258 . 14 1 1 A 23 23 LEU HA H 23 3.979 4.158 -0.179 1
1 268 . 14 1 1 A 23 23 LEU C C 23 179.234 178.738 0.496 1
1 269 . 14 1 1 A 23 23 LEU CA C 23 57.990 57.429 0.561 1
1 270 . 14 1 1 A 23 23 LEU CB C 23 42.370 41.920 0.450 1
1 274 . 14 1 1 A 23 23 LEU N N 23 119.988 121.232 -1.244 1
1 275 . 14 1 1 A 24 24 TYR H H 24 8.688 8.082 0.606 1
1 276 . 14 1 1 A 24 24 TYR HA H 24 4.084 4.434 -0.350 1
1 283 . 14 1 1 A 24 24 TYR C C 24 178.630 178.849 -0.219 1
1 284 . 14 1 1 A 24 24 TYR CA C 24 61.670 61.289 0.381 1
1 285 . 14 1 1 A 24 24 TYR CB C 24 37.780 38.412 -0.632 1
1 288 . 14 1 1 A 24 24 TYR N N 24 119.101 118.655 0.446 1
1 289 . 14 1 1 A 25 25 ARG H H 25 7.945 8.092 -0.147 1
1 290 . 14 1 1 A 25 25 ARG HA H 25 4.043 4.071 -0.028 1
1 297 . 14 1 1 A 25 25 ARG C C 25 178.683 178.680 0.003 1
1 298 . 14 1 1 A 25 25 ARG CA C 25 59.460 58.832 0.628 1
1 299 . 14 1 1 A 25 25 ARG CB C 25 30.160 30.381 -0.221 1
1 302 . 14 1 1 A 25 25 ARG N N 25 118.297 118.725 -0.428 1
1 303 . 14 1 1 A 26 26 ARG H H 26 7.726 7.777 -0.051 1
1 304 . 14 1 1 A 26 26 ARG HA H 26 4.067 4.449 -0.382 1
1 311 . 14 1 1 A 26 26 ARG C C 26 177.986 178.880 -0.894 1
1 312 . 14 1 1 A 26 26 ARG CA C 26 58.300 59.217 -0.917 1
1 313 . 14 1 1 A 26 26 ARG CB C 26 30.670 29.995 0.675 1
1 316 . 14 1 1 A 26 26 ARG N N 26 118.100 119.790 -1.690 1
1 317 . 14 1 1 A 27 27 LEU H H 27 7.971 7.950 0.021 1
1 318 . 14 1 1 A 27 27 LEU HA H 27 4.095 4.218 -0.123 1
1 328 . 14 1 1 A 27 27 LEU C C 27 177.461 177.719 -0.258 1
1 329 . 14 1 1 A 27 27 LEU CA C 27 56.260 56.992 -0.732 1
1 330 . 14 1 1 A 27 27 LEU CB C 27 42.260 41.722 0.538 1
1 334 . 14 1 1 A 27 27 LEU N N 27 118.633 117.180 1.453 1
1 335 . 14 1 1 A 28 28 HIS H H 28 7.863 7.948 -0.085 1
1 336 . 14 1 1 A 28 28 HIS HA H 28 4.482 4.807 -0.325 1
1 341 . 14 1 1 A 28 28 HIS C C 28 174.741 176.085 -1.344 1
1 342 . 14 1 1 A 28 28 HIS CA C 28 56.310 56.084 0.226 1
1 343 . 14 1 1 A 28 28 HIS CB C 28 29.300 29.478 -0.178 1
1 346 . 14 1 1 A 28 28 HIS N N 28 116.767 117.271 -0.504 1
1 347 . 14 1 1 A 29 29 LYS H H 29 7.893 8.435 -0.542 1
1 348 . 14 1 1 A 29 29 LYS HA H 29 4.172 4.025 0.147 1
1 357 . 14 1 1 A 29 29 LYS C C 29 176.357 178.145 -1.788 1
1 358 . 14 1 1 A 29 29 LYS CA C 29 56.830 58.896 -2.066 1
1 359 . 14 1 1 A 29 29 LYS CB C 29 32.000 32.120 -0.120 1
1 363 . 14 1 1 A 29 29 LYS N N 29 120.331 118.690 1.641 1
1 364 . 14 1 1 A 30 30 ILE H H 30 7.995 7.762 0.233 1
1 365 . 14 1 1 A 30 30 ILE HA H 30 4.085 3.852 0.233 1
1 375 . 14 1 1 A 30 30 ILE C C 30 176.344 177.806 -1.462 1
1 376 . 14 1 1 A 30 30 ILE CA C 30 61.440 64.248 -2.808 1
1 377 . 14 1 1 A 30 30 ILE CB C 30 39.020 37.568 1.452 1
1 381 . 14 1 1 A 30 30 ILE N N 30 120.440 116.712 3.728 1
1 382 . 14 1 1 A 31 31 GLU H H 31 8.367 7.745 0.622 1
1 383 . 14 1 1 A 31 31 GLU HA H 31 4.159 4.407 -0.248 1
1 388 . 14 1 1 A 31 31 GLU C C 31 176.265 177.373 -1.108 1
1 389 . 14 1 1 A 31 31 GLU CA C 31 56.890 58.123 -1.233 1
1 390 . 14 1 1 A 31 31 GLU CB C 31 30.050 30.756 -0.706 1
1 392 . 14 1 1 A 31 31 GLU N N 31 124.043 119.932 4.111 1
1 393 . 14 1 1 A 32 32 ALA H H 32 8.138 7.909 0.229 1
1 394 . 14 1 1 A 32 32 ALA HA H 32 4.175 4.224 -0.049 1
1 398 . 14 1 1 A 32 32 ALA C C 32 177.198 176.084 1.114 1
1 399 . 14 1 1 A 32 32 ALA CA C 32 52.620 51.636 0.984 1
1 400 . 14 1 1 A 32 32 ALA CB C 32 19.490 18.468 1.022 1
1 401 . 14 1 1 A 32 32 ALA N N 32 124.170 123.423 0.747 1
1 402 . 14 1 1 A 33 33 ASP H H 33 8.157 8.390 -0.233 1
1 403 . 14 1 1 A 33 33 ASP HA H 33 4.467 4.739 -0.272 1
1 406 . 14 1 1 A 33 33 ASP C C 33 175.910 176.219 -0.309 1
1 407 . 14 1 1 A 33 33 ASP CA C 33 54.500 54.035 0.465 1
1 408 . 14 1 1 A 33 33 ASP CB C 33 40.750 41.208 -0.458 1
1 409 . 14 1 1 A 33 33 ASP N N 33 118.904 124.804 -5.900 1
1 410 . 14 1 1 A 34 34 PHE H H 34 7.884 8.825 -0.941 1
1 411 . 14 1 1 A 34 34 PHE HA H 34 4.514 4.733 -0.219 1
1 418 . 14 1 1 A 34 34 PHE C C 34 175.319 175.950 -0.631 1
1 419 . 14 1 1 A 34 34 PHE CA C 34 57.610 56.244 1.366 1
1 420 . 14 1 1 A 34 34 PHE CB C 34 39.840 36.510 3.330 1
1 423 . 14 1 1 A 34 34 PHE N N 34 119.439 124.792 -5.353 1
1 424 . 14 1 1 A 35 35 GLU H H 35 8.084 8.019 0.065 1
1 425 . 14 1 1 A 35 35 GLU HA H 35 4.190 4.229 -0.039 1
1 430 . 14 1 1 A 35 35 GLU C C 35 175.634 176.408 -0.774 1
1 431 . 14 1 1 A 35 35 GLU CA C 35 56.140 59.089 -2.949 1
1 432 . 14 1 1 A 35 35 GLU CB C 35 30.810 30.753 0.057 1
1 434 . 14 1 1 A 35 35 GLU N N 35 122.340 120.709 1.631 1
1 435 . 14 1 1 A 36 36 GLU H H 36 8.172 7.906 0.266 1
1 436 . 14 1 1 A 36 36 GLU HA H 36 4.442 4.801 -0.359 1
1 441 . 14 1 1 A 36 36 GLU CA C 36 54.300 54.227 0.073 1
1 442 . 14 1 1 A 36 36 GLU CB C 36 29.490 31.194 -1.704 1
1 444 . 14 1 1 A 36 36 GLU N N 36 123.278 115.386 7.892 1
1 445 . 14 1 1 A 37 37 PRO HA H 37 4.339 4.792 -0.453 1
1 452 . 14 1 1 A 37 37 PRO C C 37 175.818 176.783 -0.965 1
1 453 . 14 1 1 A 37 37 PRO CA C 37 62.800 62.471 0.329 1
1 454 . 14 1 1 A 37 37 PRO CB C 37 31.900 30.122 1.778 1
1 457 . 14 1 1 A 38 38 ARG H H 38 8.412 8.404 0.008 1
1 458 . 14 1 1 A 38 38 ARG HA H 38 4.255 4.479 -0.224 1
1 465 . 14 1 1 A 38 38 ARG C C 38 175.818 176.377 -0.559 1
1 466 . 14 1 1 A 38 38 ARG CA C 38 55.350 56.358 -1.008 1
1 467 . 14 1 1 A 38 38 ARG CB C 38 31.010 30.821 0.189 1
1 470 . 14 1 1 A 38 38 ARG N N 38 121.791 124.032 -2.241 1
1 471 . 14 1 1 A 39 39 ASN H H 39 8.624 8.880 -0.256 1
1 472 . 14 1 1 A 39 39 ASN HA H 39 4.906 4.781 0.125 1
1 477 . 14 1 1 A 39 39 ASN CA C 39 51.100 51.937 -0.837 1
1 478 . 14 1 1 A 39 39 ASN CB C 39 38.560 37.893 0.667 1
1 479 . 14 1 1 A 39 39 ASN N N 39 121.594 120.073 1.521 1
1 481 . 14 1 1 A 40 40 PRO HA H 40 4.310 4.670 -0.360 1
1 488 . 14 1 1 A 40 40 PRO C C 40 176.896 176.194 0.702 1
1 489 . 14 1 1 A 40 40 PRO CA C 40 63.970 62.480 1.490 1
1 490 . 14 1 1 A 40 40 PRO CB C 40 32.210 29.235 2.975 1
1 493 . 14 1 1 A 41 41 ASP H H 41 8.219 8.666 -0.447 1
1 494 . 14 1 1 A 41 41 ASP HA H 41 4.516 5.000 -0.484 1
1 497 . 14 1 1 A 41 41 ASP C C 41 176.252 175.288 0.964 1
1 498 . 14 1 1 A 41 41 ASP CA C 41 54.740 54.903 -0.163 1
1 499 . 14 1 1 A 41 41 ASP CB C 41 41.100 43.268 -2.168 1
1 500 . 14 1 1 A 41 41 ASP N N 41 118.818 122.655 -3.837 1
1 501 . 14 1 1 A 42 42 ASP H H 42 7.949 8.380 -0.431 1
1 502 . 14 1 1 A 42 42 ASP HA H 42 4.516 4.549 -0.033 1
1 505 . 14 1 1 A 42 42 ASP C C 42 176.567 176.147 0.420 1
1 506 . 14 1 1 A 42 42 ASP CA C 42 54.910 56.016 -1.106 1
1 507 . 14 1 1 A 42 42 ASP CB C 42 41.100 40.164 0.936 1
1 508 . 14 1 1 A 42 42 ASP N N 42 120.104 119.367 0.737 1
1 509 . 14 1 1 A 43 43 GLU H H 43 8.179 8.451 -0.272 1
1 510 . 14 1 1 A 43 43 GLU HA H 43 4.153 4.613 -0.460 1
1 515 . 14 1 1 A 43 43 GLU C C 43 176.488 175.411 1.077 1
1 516 . 14 1 1 A 43 43 GLU CA C 43 57.070 55.747 1.323 1
1 517 . 14 1 1 A 43 43 GLU CB C 43 30.430 30.735 -0.305 1
1 519 . 14 1 1 A 43 43 GLU N N 43 121.153 123.075 -1.922 1
1 520 . 14 1 1 A 44 44 ASP H H 44 8.325 7.864 0.461 1
1 521 . 14 1 1 A 44 44 ASP HA H 44 4.517 4.830 -0.313 1
1 524 . 14 1 1 A 44 44 ASP C C 44 176.462 176.499 -0.037 1
1 525 . 14 1 1 A 44 44 ASP CA C 44 54.360 52.782 1.578 1
1 526 . 14 1 1 A 44 44 ASP CB C 44 41.030 41.065 -0.035 1
1 527 . 14 1 1 A 44 44 ASP N N 44 121.100 121.588 -0.488 1
1 528 . 14 1 1 A 45 45 ARG H H 45 8.106 8.686 -0.580 1
1 529 . 14 1 1 A 45 45 ARG HA H 45 4.252 4.171 0.081 1
1 536 . 14 1 1 A 45 45 ARG C C 45 176.475 177.178 -0.703 1
1 537 . 14 1 1 A 45 45 ARG CA C 45 56.000 59.030 -3.030 1
1 538 . 14 1 1 A 45 45 ARG CB C 45 30.360 30.095 0.265 1
1 541 . 14 1 1 A 45 45 ARG N N 45 121.258 125.817 -4.559 1
1 542 . 14 1 1 A 46 46 ALA H H 46 8.235 7.646 0.589 1
1 543 . 14 1 1 A 46 46 ALA HA H 46 4.220 4.372 -0.152 1
1 547 . 14 1 1 A 46 46 ALA C C 46 178.196 176.213 1.983 1
1 548 . 14 1 1 A 46 46 ALA CA C 46 53.070 51.718 1.352 1
1 549 . 14 1 1 A 46 46 ALA CB C 46 18.840 17.657 1.183 1
1 550 . 14 1 1 A 46 46 ALA N N 46 124.506 122.061 2.445 1
1 551 . 14 1 1 A 47 47 SER H H 47 8.150 8.775 -0.625 1
1 552 . 14 1 1 A 47 47 SER HA H 47 4.331 4.795 -0.464 1
1 555 . 14 1 1 A 47 47 SER C C 47 174.727 173.534 1.193 1
1 556 . 14 1 1 A 47 47 SER CA C 47 58.820 57.839 0.981 1
1 557 . 14 1 1 A 47 47 SER CB C 47 63.520 61.806 1.714 1
1 558 . 14 1 1 A 47 47 SER N N 47 114.398 120.339 -5.941 1
1 559 . 14 1 1 A 48 48 GLU H H 48 8.235 8.906 -0.671 1
1 560 . 14 1 1 A 48 48 GLU HA H 48 4.244 4.491 -0.247 1
1 565 . 14 1 1 A 48 48 GLU C C 48 176.396 175.854 0.542 1
1 566 . 14 1 1 A 48 48 GLU CA C 48 56.550 57.277 -0.727 1
1 567 . 14 1 1 A 48 48 GLU CB C 48 30.330 29.988 0.342 1
1 569 . 14 1 1 A 48 48 GLU N N 48 122.340 126.815 -4.475 1
1 570 . 14 1 1 A 49 49 ARG H H 49 8.174 8.472 -0.298 1
1 571 . 14 1 1 A 49 49 ARG HA H 49 4.339 4.594 -0.255 1
1 578 . 14 1 1 A 49 49 ARG C C 49 176.344 175.242 1.102 1
1 579 . 14 1 1 A 49 49 ARG CA C 49 55.900 55.767 0.133 1
1 580 . 14 1 1 A 49 49 ARG CB C 49 30.980 29.729 1.251 1
1 583 . 14 1 1 A 49 49 ARG N N 49 121.431 125.055 -3.624 1
1 584 . 14 1 1 A 50 50 SER H H 50 8.389 8.553 -0.164 1
1 585 . 14 1 1 A 50 50 SER HA H 50 4.392 5.071 -0.679 1
1 588 . 14 1 1 A 50 50 SER C C 50 174.517 172.483 2.034 1
1 589 . 14 1 1 A 50 50 SER CA C 50 58.230 56.679 1.551 1
1 590 . 14 1 1 A 50 50 SER CB C 50 64.010 63.215 0.795 1
1 591 . 14 1 1 A 50 50 SER N N 50 117.321 118.445 -1.124 1
1 592 . 14 1 1 A 51 51 ASN H H 51 8.488 8.993 -0.505 1
1 593 . 14 1 1 A 51 51 ASN HA H 51 4.657 4.926 -0.269 1
1 598 . 14 1 1 A 51 51 ASN C C 51 175.122 173.910 1.212 1
1 599 . 14 1 1 A 51 51 ASN CA C 51 53.780 52.217 1.563 1
1 600 . 14 1 1 A 51 51 ASN CB C 51 38.770 37.869 0.901 1
1 601 . 14 1 1 A 51 51 ASN N N 51 120.903 125.414 -4.511 1
1 603 . 14 1 1 A 52 52 ASP H H 52 8.231 9.026 -0.795 1
1 604 . 14 1 1 A 52 52 ASP HA H 52 4.517 4.744 -0.227 1
1 607 . 14 1 1 A 52 52 ASP C C 52 176.291 174.714 1.577 1
1 608 . 14 1 1 A 52 52 ASP CA C 52 54.500 53.326 1.174 1
1 609 . 14 1 1 A 52 52 ASP CB C 52 41.170 39.876 1.294 1
1 610 . 14 1 1 A 52 52 ASP N N 52 120.236 126.455 -6.219 1
1 611 . 14 1 1 A 53 53 GLU H H 53 8.139 8.252 -0.113 1
1 612 . 14 1 1 A 53 53 GLU HA H 53 4.194 4.478 -0.284 1
1 617 . 14 1 1 A 53 53 GLU C C 53 176.606 175.885 0.721 1
1 618 . 14 1 1 A 53 53 GLU CA C 53 56.930 56.745 0.185 1
1 619 . 14 1 1 A 53 53 GLU CB C 53 30.500 29.852 0.648 1
1 621 . 14 1 1 A 53 53 GLU N N 53 120.655 125.457 -4.802 1
1 622 . 14 1 1 A 54 54 VAL H H 54 8.061 8.600 -0.539 1
1 623 . 14 1 1 A 54 54 VAL HA H 54 3.978 4.275 -0.297 1
1 631 . 14 1 1 A 54 54 VAL C C 54 176.278 175.989 0.289 1
1 632 . 14 1 1 A 54 54 VAL CA C 54 62.880 63.483 -0.603 1
1 633 . 14 1 1 A 54 54 VAL CB C 54 32.660 34.013 -1.353 1
1 636 . 14 1 1 A 54 54 VAL N N 54 121.320 125.283 -3.963 1
1 637 . 14 1 1 A 55 55 LEU H H 55 8.209 7.529 0.680 1
1 638 . 14 1 1 A 55 55 LEU HA H 55 4.273 4.420 -0.147 1
1 648 . 14 1 1 A 55 55 LEU C C 55 177.355 176.697 0.658 1
1 649 . 14 1 1 A 55 55 LEU CA C 55 55.290 54.831 0.459 1
1 650 . 14 1 1 A 55 55 LEU CB C 55 42.190 42.804 -0.614 1
1 654 . 14 1 1 A 55 55 LEU N N 55 125.139 121.865 3.274 1
1 655 . 14 1 1 A 56 56 ASP H H 56 8.204 9.198 -0.994 1
1 656 . 14 1 1 A 56 56 ASP HA H 56 4.516 4.901 -0.385 1
1 659 . 14 1 1 A 56 56 ASP C C 56 176.633 177.385 -0.752 1
1 660 . 14 1 1 A 56 56 ASP CA C 56 54.360 53.489 0.871 1
1 661 . 14 1 1 A 56 56 ASP CB C 56 41.070 40.928 0.142 1
1 662 . 14 1 1 A 56 56 ASP N N 56 121.154 128.731 -7.577 1
1 663 . 14 1 1 A 57 57 GLU H H 57 8.316 8.172 0.144 1
1 664 . 14 1 1 A 57 57 GLU HA H 57 4.164 4.415 -0.251 1
1 669 . 14 1 1 A 57 57 GLU C C 57 177.158 177.658 -0.500 1
1 670 . 14 1 1 A 57 57 GLU CA C 57 57.650 57.285 0.365 1
1 671 . 14 1 1 A 57 57 GLU CB C 57 30.020 29.646 0.374 1
1 673 . 14 1 1 A 57 57 GLU N N 57 120.771 120.159 0.612 1
1 674 . 14 1 1 A 58 58 LEU H H 58 8.204 7.612 0.592 1
1 675 . 14 1 1 A 58 58 LEU HA H 58 4.231 4.435 -0.204 1
1 685 . 14 1 1 A 58 58 LEU C C 58 178.538 177.408 1.130 1
1 686 . 14 1 1 A 58 58 LEU CA C 58 55.690 57.088 -1.398 1
1 687 . 14 1 1 A 58 58 LEU CB C 58 42.230 42.373 -0.143 1
1 691 . 14 1 1 A 58 58 LEU N N 58 120.716 120.272 0.444 1
1 692 . 14 1 1 A 59 59 GLY H H 59 8.212 7.620 0.592 1
1 693 . 14 1 1 A 59 59 GLY HA2 H 59 3.917 4.097 -0.180 1
1 694 . 14 1 1 A 59 59 GLY HA3 H 59 3.917 4.100 -0.183 1
1 695 . 14 1 1 A 59 59 GLY C C 59 174.294 174.841 -0.547 1
1 696 . 14 1 1 A 59 59 GLY CA C 59 45.550 44.986 0.564 1
1 697 . 14 1 1 A 59 59 GLY N N 59 108.670 104.778 3.892 1
1 698 . 14 1 1 A 60 60 GLN H H 60 8.310 9.046 -0.736 1
1 699 . 14 1 1 A 60 60 GLN HA H 60 4.079 3.951 0.128 1
1 706 . 14 1 1 A 60 60 GLN C C 60 177.171 178.143 -0.972 1
1 707 . 14 1 1 A 60 60 GLN CA C 60 57.590 59.111 -1.521 1
1 708 . 14 1 1 A 60 60 GLN CB C 60 28.960 28.052 0.908 1
1 710 . 14 1 1 A 60 60 GLN N N 60 120.662 123.169 -2.507 1
1 712 . 14 1 1 A 61 61 VAL H H 61 8.136 8.175 -0.039 1
1 713 . 14 1 1 A 61 61 VAL HA H 61 3.971 3.730 0.241 1
1 721 . 14 1 1 A 61 61 VAL C C 61 178.262 178.268 -0.006 1
1 722 . 14 1 1 A 61 61 VAL CA C 61 64.420 65.912 -1.492 1
1 723 . 14 1 1 A 61 61 VAL CB C 61 32.110 31.066 1.044 1
1 726 . 14 1 1 A 61 61 VAL N N 61 119.154 120.492 -1.338 1
1 727 . 14 1 1 A 62 62 GLY H H 62 8.183 8.008 0.175 1
1 728 . 14 1 1 A 62 62 GLY HA2 H 62 3.966 3.730 0.236 1
1 729 . 14 1 1 A 62 62 GLY HA3 H 62 3.783 3.748 0.035 1
1 730 . 14 1 1 A 62 62 GLY C C 62 174.872 175.917 -1.045 1
1 731 . 14 1 1 A 62 62 GLY CA C 62 46.780 47.192 -0.412 1
1 732 . 14 1 1 A 62 62 GLY N N 62 110.813 108.654 2.159 1
1 733 . 14 1 1 A 63 63 GLN H H 63 8.235 7.786 0.449 1
1 734 . 14 1 1 A 63 63 GLN HA H 63 3.966 4.053 -0.087 1
1 741 . 14 1 1 A 63 63 GLN C C 63 178.170 178.163 0.007 1
1 742 . 14 1 1 A 63 63 GLN CA C 63 58.990 58.822 0.168 1
1 743 . 14 1 1 A 63 63 GLN CB C 63 28.500 28.424 0.076 1
1 745 . 14 1 1 A 63 63 GLN N N 63 120.667 121.911 -1.244 1
1 747 . 14 1 1 A 64 64 ASP H H 64 8.386 8.413 -0.027 1
1 748 . 14 1 1 A 64 64 ASP HA H 64 4.347 4.450 -0.103 1
1 751 . 14 1 1 A 64 64 ASP C C 64 178.669 179.084 -0.415 1
1 752 . 14 1 1 A 64 64 ASP CA C 64 56.860 56.879 -0.019 1
1 753 . 14 1 1 A 64 64 ASP CB C 64 39.970 40.125 -0.155 1
1 754 . 14 1 1 A 64 64 ASP N N 64 120.058 120.242 -0.184 1
1 755 . 14 1 1 A 65 65 GLU H H 65 7.992 7.680 0.312 1
1 756 . 14 1 1 A 65 65 GLU HA H 65 3.542 3.978 -0.436 1
1 761 . 14 1 1 A 65 65 GLU C C 65 177.842 179.166 -1.324 1
1 762 . 14 1 1 A 65 65 GLU CA C 65 59.560 58.913 0.647 1
1 763 . 14 1 1 A 65 65 GLU CB C 65 29.100 29.478 -0.378 1
1 765 . 14 1 1 A 65 65 GLU N N 65 123.846 119.793 4.053 1
1 766 . 14 1 1 A 66 66 LEU H H 66 8.100 8.511 -0.411 1
1 767 . 14 1 1 A 66 66 LEU HA H 66 3.783 3.874 -0.091 1
1 777 . 14 1 1 A 66 66 LEU C C 66 178.893 178.971 -0.078 1
1 778 . 14 1 1 A 66 66 LEU CA C 66 58.610 57.777 0.833 1
1 779 . 14 1 1 A 66 66 LEU CB C 66 41.510 41.478 0.032 1
1 783 . 14 1 1 A 66 66 LEU N N 66 119.444 120.232 -0.788 1
1 784 . 14 1 1 A 67 67 ARG H H 67 7.870 8.297 -0.427 1
1 785 . 14 1 1 A 67 67 ARG HA H 67 4.095 3.917 0.178 1
1 792 . 14 1 1 A 67 67 ARG C C 67 179.484 178.097 1.387 1
1 793 . 14 1 1 A 67 67 ARG CA C 67 59.490 59.677 -0.187 1
1 794 . 14 1 1 A 67 67 ARG CB C 67 30.230 29.925 0.305 1
1 797 . 14 1 1 A 67 67 ARG N N 67 118.088 119.608 -1.520 1
1 798 . 14 1 1 A 68 68 ALA H H 68 7.820 7.626 0.194 1
1 799 . 14 1 1 A 68 68 ALA HA H 68 4.188 4.057 0.131 1
1 803 . 14 1 1 A 68 68 ALA C C 68 181.626 180.240 1.386 1
1 804 . 14 1 1 A 68 68 ALA CA C 68 54.840 54.834 0.006 1
1 805 . 14 1 1 A 68 68 ALA CB C 68 18.400 18.422 -0.022 1
1 806 . 14 1 1 A 68 68 ALA N N 68 123.318 121.393 1.925 1
1 807 . 14 1 1 A 69 69 ILE H H 69 8.643 7.850 0.793 1
1 808 . 14 1 1 A 69 69 ILE HA H 69 3.539 3.693 -0.154 1
1 818 . 14 1 1 A 69 69 ILE C C 69 177.290 177.644 -0.354 1
1 819 . 14 1 1 A 69 69 ILE CA C 69 66.370 65.223 1.147 1
1 820 . 14 1 1 A 69 69 ILE CB C 69 38.090 37.878 0.212 1
1 824 . 14 1 1 A 69 69 ILE N N 69 122.954 119.069 3.885 1
1 825 . 14 1 1 A 70 70 ASP H H 70 8.415 8.570 -0.155 1
1 826 . 14 1 1 A 70 70 ASP HA H 70 4.336 4.338 -0.002 1
1 829 . 14 1 1 A 70 70 ASP C C 70 179.786 178.902 0.884 1
1 830 . 14 1 1 A 70 70 ASP CA C 70 58.130 57.164 0.966 1
1 831 . 14 1 1 A 70 70 ASP CB C 70 40.310 40.188 0.122 1
1 832 . 14 1 1 A 70 70 ASP N N 70 121.571 119.911 1.660 1
1 833 . 14 1 1 A 71 71 ALA H H 71 7.869 7.725 0.144 1
1 834 . 14 1 1 A 71 71 ALA HA H 71 4.215 4.135 0.080 1
1 838 . 14 1 1 A 71 71 ALA C C 71 180.246 179.933 0.313 1
1 839 . 14 1 1 A 71 71 ALA CA C 71 54.500 55.060 -0.560 1
1 840 . 14 1 1 A 71 71 ALA CB C 71 17.680 18.297 -0.617 1
1 841 . 14 1 1 A 71 71 ALA N N 71 121.459 122.648 -1.189 1
1 842 . 14 1 1 A 72 72 ALA H H 72 8.263 8.052 0.211 1
1 843 . 14 1 1 A 72 72 ALA HA H 72 4.045 4.249 -0.204 1
1 847 . 14 1 1 A 72 72 ALA C C 72 179.668 180.212 -0.544 1
1 848 . 14 1 1 A 72 72 ALA CA C 72 55.560 55.144 0.416 1
1 849 . 14 1 1 A 72 72 ALA CB C 72 19.870 18.044 1.826 1
1 850 . 14 1 1 A 72 72 ALA N N 72 123.378 120.581 2.797 1
1 851 . 14 1 1 A 73 73 LEU H H 73 8.790 8.332 0.458 1
1 852 . 14 1 1 A 73 73 LEU HA H 73 3.920 3.916 0.004 1
1 862 . 14 1 1 A 73 73 LEU C C 73 180.286 179.312 0.974 1
1 863 . 14 1 1 A 73 73 LEU CA C 73 58.130 57.924 0.206 1
1 864 . 14 1 1 A 73 73 LEU CB C 73 41.200 40.981 0.219 1
1 868 . 14 1 1 A 73 73 LEU N N 73 119.015 119.400 -0.385 1
1 869 . 14 1 1 A 74 74 ALA H H 74 7.931 8.079 -0.148 1
1 870 . 14 1 1 A 74 74 ALA HA H 74 4.273 4.030 0.243 1
1 874 . 14 1 1 A 74 74 ALA C C 74 180.811 178.739 2.072 1
1 875 . 14 1 1 A 74 74 ALA CA C 74 54.960 54.883 0.077 1
1 876 . 14 1 1 A 74 74 ALA CB C 74 17.690 18.257 -0.567 1
1 877 . 14 1 1 A 74 74 ALA N N 74 124.135 122.071 2.064 1
1 878 . 14 1 1 A 75 75 ARG H H 75 7.898 7.433 0.465 1
1 879 . 14 1 1 A 75 75 ARG HA H 75 4.138 4.228 -0.090 1
1 886 . 14 1 1 A 75 75 ARG C C 75 179.721 178.983 0.738 1
1 887 . 14 1 1 A 75 75 ARG CA C 75 60.170 58.648 1.522 1
1 888 . 14 1 1 A 75 75 ARG CB C 75 29.970 30.162 -0.192 1
1 891 . 14 1 1 A 75 75 ARG N N 75 120.143 116.659 3.484 1
1 892 . 14 1 1 A 76 76 ILE H H 76 8.061 7.896 0.165 1
1 893 . 14 1 1 A 76 76 ILE HA H 76 3.697 3.723 -0.026 1
1 903 . 14 1 1 A 76 76 ILE C C 76 179.392 177.959 1.433 1
1 904 . 14 1 1 A 76 76 ILE CA C 76 66.060 65.572 0.488 1
1 905 . 14 1 1 A 76 76 ILE CB C 76 37.240 38.254 -1.014 1
1 909 . 14 1 1 A 76 76 ILE N N 76 121.537 121.339 0.198 1
1 910 . 14 1 1 A 77 77 ALA H H 77 7.735 8.301 -0.566 1
1 911 . 14 1 1 A 77 77 ALA HA H 77 4.132 4.055 0.077 1
1 915 . 14 1 1 A 77 77 ALA C C 77 179.326 179.733 -0.407 1
1 916 . 14 1 1 A 77 77 ALA CA C 77 54.910 55.122 -0.212 1
1 917 . 14 1 1 A 77 77 ALA CB C 77 17.950 18.086 -0.136 1
1 918 . 14 1 1 A 77 77 ALA N N 77 122.664 121.929 0.735 1
1 919 . 14 1 1 A 78 78 SER H H 78 7.999 7.598 0.401 1
1 920 . 14 1 1 A 78 78 SER HA H 78 4.472 4.450 0.022 1
1 923 . 14 1 1 A 78 78 SER C C 78 174.675 174.693 -0.018 1
1 924 . 14 1 1 A 78 78 SER CA C 78 59.260 59.110 0.150 1
1 925 . 14 1 1 A 78 78 SER CB C 78 64.070 63.805 0.265 1
1 926 . 14 1 1 A 78 78 SER N N 78 111.061 111.149 -0.088 1
1 927 . 14 1 1 A 79 79 GLY H H 79 7.844 7.859 -0.015 1
1 928 . 14 1 1 A 79 79 GLY HA2 H 79 4.233 3.977 0.256 1
1 929 . 14 1 1 A 79 79 GLY HA3 H 79 4.087 3.998 0.089 1
1 930 . 14 1 1 A 79 79 GLY C C 79 175.687 174.293 1.394 1
1 931 . 14 1 1 A 79 79 GLY CA C 79 46.470 45.455 1.015 1
1 932 . 14 1 1 A 79 79 GLY N N 79 109.909 108.507 1.402 1
1 933 . 14 1 1 A 80 80 THR H H 80 8.408 7.660 0.748 1
1 934 . 14 1 1 A 80 80 THR HA H 80 4.504 4.420 0.084 1
1 939 . 14 1 1 A 80 80 THR C C 80 174.793 174.500 0.293 1
1 940 . 14 1 1 A 80 80 THR CA C 80 60.280 62.714 -2.434 1
1 941 . 14 1 1 A 80 80 THR CB C 80 69.000 69.225 -0.225 1
1 943 . 14 1 1 A 80 80 THR N N 80 109.416 115.781 -6.365 1
1 944 . 14 1 1 A 81 81 PHE H H 81 7.610 7.647 -0.037 1
1 945 . 14 1 1 A 81 81 PHE HA H 81 3.944 4.301 -0.357 1
1 950 . 14 1 1 A 81 81 PHE C C 81 176.462 177.034 -0.572 1
1 951 . 14 1 1 A 81 81 PHE CA C 81 59.940 60.186 -0.246 1
1 952 . 14 1 1 A 81 81 PHE CB C 81 39.700 38.408 1.292 1
1 954 . 14 1 1 A 81 81 PHE N N 81 123.672 123.359 0.313 1
1 955 . 14 1 1 A 82 82 GLY H H 82 8.827 8.450 0.377 1
1 956 . 14 1 1 A 82 82 GLY HA2 H 82 4.000 3.604 0.396 1
1 957 . 14 1 1 A 82 82 GLY HA3 H 82 2.606 3.781 -1.175 1
1 958 . 14 1 1 A 82 82 GLY C C 82 172.388 173.746 -1.358 1
1 959 . 14 1 1 A 82 82 GLY CA C 82 44.590 45.409 -0.819 1
1 960 . 14 1 1 A 82 82 GLY N N 82 115.493 114.494 0.999 1
1 961 . 14 1 1 A 83 83 THR H H 83 7.265 7.180 0.085 1
1 962 . 14 1 1 A 83 83 THR HA H 83 4.418 4.619 -0.201 1
1 967 . 14 1 1 A 83 83 THR C C 83 173.808 172.817 0.991 1
1 968 . 14 1 1 A 83 83 THR CA C 83 61.180 61.222 -0.042 1
1 969 . 14 1 1 A 83 83 THR CB C 83 70.020 71.188 -1.168 1
1 971 . 14 1 1 A 83 83 THR N N 83 115.366 115.279 0.087 1
1 972 . 14 1 1 A 84 84 CYS H H 84 9.410 8.589 0.821 1
1 973 . 14 1 1 A 84 84 CYS HA H 84 4.339 4.752 -0.413 1
1 976 . 14 1 1 A 84 84 CYS C C 84 177.986 175.450 2.536 1
1 977 . 14 1 1 A 84 84 CYS CA C 84 60.080 58.270 1.810 1
1 978 . 14 1 1 A 84 84 CYS CB C 84 30.630 27.406 3.224 1
1 979 . 14 1 1 A 84 84 CYS N N 84 131.144 125.935 5.209 1
1 980 . 14 1 1 A 85 85 VAL H H 85 8.461 7.977 0.484 1
1 981 . 14 1 1 A 85 85 VAL HA H 85 3.918 3.750 0.168 1
1 989 . 14 1 1 A 85 85 VAL C C 85 175.608 177.460 -1.852 1
1 990 . 14 1 1 A 85 85 VAL CA C 85 64.080 65.017 -0.937 1
1 991 . 14 1 1 A 85 85 VAL CB C 85 31.730 31.302 0.428 1
1 994 . 14 1 1 A 85 85 VAL N N 85 126.221 125.005 1.216 1
1 995 . 14 1 1 A 86 86 LYS H H 86 8.924 8.045 0.879 1
1 996 . 14 1 1 A 86 86 LYS HA H 86 4.496 4.104 0.392 1
1 1005 . 14 1 1 A 86 86 LYS C C 86 177.277 177.558 -0.281 1
1 1006 . 14 1 1 A 86 86 LYS CA C 86 58.500 58.853 -0.353 1
1 1007 . 14 1 1 A 86 86 LYS CB C 86 33.780 32.455 1.325 1
1 1011 . 14 1 1 A 86 86 LYS N N 86 123.551 122.012 1.539 1
1 1012 . 14 1 1 A 87 87 CYS H H 87 8.264 7.470 0.794 1
1 1013 . 14 1 1 A 87 87 CYS HA H 87 4.925 4.625 0.300 1
1 1016 . 14 1 1 A 87 87 CYS C C 87 177.211 175.487 1.724 1
1 1017 . 14 1 1 A 87 87 CYS CA C 87 58.980 58.444 0.536 1
1 1018 . 14 1 1 A 87 87 CYS CB C 87 33.100 29.291 3.809 1
1 1019 . 14 1 1 A 87 87 CYS N N 87 117.502 114.843 2.659 1
1 1020 . 14 1 1 A 88 88 GLY H H 88 7.655 7.853 -0.198 1
1 1021 . 14 1 1 A 88 88 GLY HA2 H 88 4.159 3.950 0.209 1
1 1022 . 14 1 1 A 88 88 GLY HA3 H 88 3.729 3.954 -0.225 1
1 1023 . 14 1 1 A 88 88 GLY C C 88 173.558 174.042 -0.484 1
1 1024 . 14 1 1 A 88 88 GLY CA C 88 46.300 46.103 0.197 1
1 1025 . 14 1 1 A 88 88 GLY N N 88 111.948 111.717 0.231 1
1 1026 . 14 1 1 A 89 89 LYS H H 89 8.721 7.698 1.023 1
1 1027 . 14 1 1 A 89 89 LYS HA H 89 4.315 4.678 -0.363 1
1 1036 . 14 1 1 A 89 89 LYS C C 89 176.659 175.596 1.063 1
1 1037 . 14 1 1 A 89 89 LYS CA C 89 56.860 54.570 2.290 1
1 1038 . 14 1 1 A 89 89 LYS CB C 89 33.540 34.667 -1.127 1
1 1042 . 14 1 1 A 89 89 LYS N N 89 123.614 119.441 4.173 1
1 1043 . 14 1 1 A 90 90 ARG H H 90 8.415 8.382 0.033 1
1 1044 . 14 1 1 A 90 90 ARG HA H 90 4.299 4.544 -0.245 1
1 1051 . 14 1 1 A 90 90 ARG C C 90 176.041 175.821 0.220 1
1 1052 . 14 1 1 A 90 90 ARG CA C 90 56.030 56.032 -0.002 1
1 1053 . 14 1 1 A 90 90 ARG CB C 90 29.470 31.675 -2.205 1
1 1056 . 14 1 1 A 90 90 ARG N N 90 121.880 119.961 1.919 1
1 1057 . 14 1 1 A 91 91 ILE H H 91 8.334 8.365 -0.031 1
1 1058 . 14 1 1 A 91 91 ILE HA H 91 3.668 4.507 -0.839 1
1 1068 . 14 1 1 A 91 91 ILE C C 91 175.003 175.760 -0.757 1
1 1069 . 14 1 1 A 91 91 ILE CA C 91 61.810 59.992 1.818 1
1 1070 . 14 1 1 A 91 91 ILE CB C 91 38.920 40.092 -1.172 1
1 1074 . 14 1 1 A 91 91 ILE N N 91 128.410 121.767 6.643 1
1 1075 . 14 1 1 A 92 92 SER H H 92 8.551 8.636 -0.085 1
1 1076 . 14 1 1 A 92 92 SER HA H 92 4.180 4.434 -0.254 1
1 1079 . 14 1 1 A 92 92 SER C C 92 175.108 175.133 -0.025 1
1 1080 . 14 1 1 A 92 92 SER CA C 92 58.460 58.993 -0.533 1
1 1081 . 14 1 1 A 92 92 SER CB C 92 64.180 63.411 0.769 1
1 1082 . 14 1 1 A 92 92 SER N N 92 124.170 121.024 3.146 1
1 1083 . 14 1 1 A 93 93 GLU H H 93 8.912 8.837 0.075 1
1 1084 . 14 1 1 A 93 93 GLU HA H 93 3.939 3.945 -0.006 1
1 1089 . 14 1 1 A 93 93 GLU C C 93 178.144 177.962 0.182 1
1 1090 . 14 1 1 A 93 93 GLU CA C 93 60.080 59.480 0.600 1
1 1091 . 14 1 1 A 93 93 GLU CB C 93 29.960 29.326 0.634 1
1 1093 . 14 1 1 A 93 93 GLU N N 93 123.996 125.250 -1.254 1
1 1094 . 14 1 1 A 94 94 ASP H H 94 8.311 8.235 0.076 1
1 1095 . 14 1 1 A 94 94 ASP HA H 94 4.252 4.422 -0.170 1
1 1098 . 14 1 1 A 94 94 ASP C C 94 178.472 178.039 0.433 1
1 1099 . 14 1 1 A 94 94 ASP CA C 94 57.240 56.852 0.388 1
1 1100 . 14 1 1 A 94 94 ASP CB C 94 40.420 39.931 0.489 1
1 1101 . 14 1 1 A 94 94 ASP N N 94 116.432 120.135 -3.703 1
1 1102 . 14 1 1 A 95 95 ARG H H 95 7.365 7.942 -0.577 1
1 1103 . 14 1 1 A 95 95 ARG HA H 95 4.067 4.163 -0.096 1
1 1110 . 14 1 1 A 95 95 ARG C C 95 177.237 178.639 -1.402 1
1 1111 . 14 1 1 A 95 95 ARG CA C 95 58.870 57.881 0.989 1
1 1112 . 14 1 1 A 95 95 ARG CB C 95 29.100 29.793 -0.693 1
1 1115 . 14 1 1 A 95 95 ARG N N 95 121.517 120.326 1.191 1
1 1116 . 14 1 1 A 96 96 LEU H H 96 7.831 8.052 -0.221 1
1 1117 . 14 1 1 A 96 96 LEU HA H 96 3.735 3.887 -0.152 1
1 1127 . 14 1 1 A 96 96 LEU C C 96 177.855 179.151 -1.296 1
1 1128 . 14 1 1 A 96 96 LEU CA C 96 56.930 57.380 -0.450 1
1 1129 . 14 1 1 A 96 96 LEU CB C 96 41.300 41.058 0.242 1
1 1133 . 14 1 1 A 96 96 LEU N N 96 119.073 119.484 -0.411 1
1 1134 . 14 1 1 A 97 97 LYS H H 97 8.098 8.323 -0.225 1
1 1135 . 14 1 1 A 97 97 LYS HA H 97 4.014 4.242 -0.228 1
1 1144 . 14 1 1 A 97 97 LYS C C 97 178.433 178.544 -0.111 1
1 1145 . 14 1 1 A 97 97 LYS CA C 97 59.080 59.025 0.055 1
1 1146 . 14 1 1 A 97 97 LYS CB C 97 32.830 31.970 0.860 1
1 1150 . 14 1 1 A 97 97 LYS N N 97 114.647 118.629 -3.982 1
1 1151 . 14 1 1 A 98 98 ALA H H 98 7.011 7.271 -0.260 1
1 1152 . 14 1 1 A 98 98 ALA HA H 98 4.196 4.187 0.009 1
1 1156 . 14 1 1 A 98 98 ALA C C 98 178.814 177.853 0.961 1
1 1157 . 14 1 1 A 98 98 ALA CA C 98 54.480 53.910 0.570 1
1 1158 . 14 1 1 A 98 98 ALA CB C 98 19.380 19.313 0.067 1
1 1159 . 14 1 1 A 98 98 ALA N N 98 119.536 120.569 -1.033 1
1 1160 . 14 1 1 A 99 99 VAL H H 99 8.133 7.442 0.691 1
1 1161 . 14 1 1 A 99 99 VAL HA H 99 4.098 4.123 -0.025 1
1 1169 . 14 1 1 A 99 99 VAL CA C 99 58.260 59.208 -0.948 1
1 1170 . 14 1 1 A 99 99 VAL CB C 99 32.530 32.913 -0.383 1
1 1173 . 14 1 1 A 99 99 VAL N N 99 114.735 115.129 -0.394 1
1 1174 . 14 1 1 A 100 100 PRO HA H 100 4.761 4.411 0.350 1
1 1181 . 14 1 1 A 100 100 PRO C C 100 175.437 177.002 -1.565 1
1 1182 . 14 1 1 A 100 100 PRO CA C 100 65.370 63.910 1.460 1
1 1183 . 14 1 1 A 100 100 PRO CB C 100 31.190 31.651 -0.461 1
1 1186 . 14 1 1 A 101 101 TYR H H 101 6.053 7.395 -1.342 1
1 1187 . 14 1 1 A 101 101 TYR HA H 101 4.463 4.609 -0.146 1
1 1194 . 14 1 1 A 101 101 TYR C C 101 175.871 175.218 0.653 1
1 1195 . 14 1 1 A 101 101 TYR CA C 101 53.920 57.106 -3.186 1
1 1196 . 14 1 1 A 101 101 TYR CB C 101 38.230 38.936 -0.706 1
1 1199 . 14 1 1 A 101 101 TYR N N 101 108.211 114.739 -6.528 1
1 1200 . 14 1 1 A 102 102 THR H H 102 7.466 7.427 0.039 1
1 1201 . 14 1 1 A 102 102 THR HA H 102 4.384 4.600 -0.216 1
1 1206 . 14 1 1 A 102 102 THR CA C 102 60.030 58.264 1.766 1
1 1207 . 14 1 1 A 102 102 THR CB C 102 69.600 69.584 0.016 1
1 1209 . 14 1 1 A 102 102 THR N N 102 120.556 114.034 6.522 1
1 1210 . 14 1 1 A 103 103 PRO HA H 103 4.244 4.357 -0.113 1
1 1217 . 14 1 1 A 103 103 PRO C C 103 176.344 175.645 0.699 1
1 1218 . 14 1 1 A 103 103 PRO CA C 103 62.400 63.596 -1.196 1
1 1219 . 14 1 1 A 103 103 PRO CB C 103 32.250 31.631 0.619 1
1 1222 . 14 1 1 A 104 104 PHE H H 104 7.365 7.127 0.238 1
1 1223 . 14 1 1 A 104 104 PHE HA H 104 6.207 5.054 1.153 1
1 1230 . 14 1 1 A 104 104 PHE C C 104 176.133 175.862 0.271 1
1 1231 . 14 1 1 A 104 104 PHE CA C 104 55.220 56.397 -1.177 1
1 1232 . 14 1 1 A 104 104 PHE CB C 104 44.480 41.300 3.180 1
1 1235 . 14 1 1 A 104 104 PHE N N 104 115.933 118.402 -2.469 1
1 1236 . 14 1 1 A 105 105 CYS H H 105 9.248 8.873 0.375 1
1 1237 . 14 1 1 A 105 105 CYS HA H 105 4.638 4.707 -0.069 1
1 1240 . 14 1 1 A 105 105 CYS C C 105 174.254 175.704 -1.450 1
1 1241 . 14 1 1 A 105 105 CYS CA C 105 58.060 57.933 0.127 1
1 1242 . 14 1 1 A 105 105 CYS CB C 105 31.250 29.947 1.303 1
1 1243 . 14 1 1 A 105 105 CYS N N 105 118.999 120.778 -1.779 1
1 1244 . 14 1 1 A 106 106 GLN H H 106 8.865 8.899 -0.034 1
1 1245 . 14 1 1 A 106 106 GLN HA H 106 3.611 3.954 -0.343 1
1 1252 . 14 1 1 A 106 106 GLN C C 106 177.250 177.631 -0.381 1
1 1253 . 14 1 1 A 106 106 GLN CA C 106 59.430 59.025 0.405 1
1 1254 . 14 1 1 A 106 106 GLN CB C 106 28.750 28.203 0.547 1
1 1256 . 14 1 1 A 106 106 GLN N N 106 119.606 122.583 -2.977 1
1 1258 . 14 1 1 A 107 107 GLU H H 107 8.134 8.588 -0.454 1
1 1259 . 14 1 1 A 107 107 GLU HA H 107 3.959 4.046 -0.087 1
1 1264 . 14 1 1 A 107 107 GLU C C 107 179.616 179.387 0.229 1
1 1265 . 14 1 1 A 107 107 GLU CA C 107 60.110 58.885 1.225 1
1 1266 . 14 1 1 A 107 107 GLU CB C 107 29.990 29.542 0.448 1
1 1268 . 14 1 1 A 107 107 GLU N N 107 119.554 119.032 0.522 1
1 1269 . 14 1 1 A 108 108 CYS H H 108 8.681 8.111 0.570 1
1 1270 . 14 1 1 A 108 108 CYS HA H 108 3.783 4.088 -0.305 1
1 1273 . 14 1 1 A 108 108 CYS C C 108 177.868 176.779 1.089 1
1 1274 . 14 1 1 A 108 108 CYS CA C 108 64.110 63.247 0.863 1
1 1275 . 14 1 1 A 108 108 CYS CB C 108 29.270 27.008 2.262 1
1 1276 . 14 1 1 A 108 108 CYS N N 108 123.406 118.695 4.711 1
1 1277 . 14 1 1 A 109 109 ALA H H 109 8.094 8.373 -0.279 1
1 1278 . 14 1 1 A 109 109 ALA HA H 109 3.693 4.012 -0.319 1
1 1282 . 14 1 1 A 109 109 ALA C C 109 178.591 179.977 -1.386 1
1 1283 . 14 1 1 A 109 109 ALA CA C 109 53.710 55.110 -1.400 1
1 1284 . 14 1 1 A 109 109 ALA CB C 109 18.430 18.234 0.196 1
1 1285 . 14 1 1 A 109 109 ALA N N 109 120.579 122.329 -1.750 1
1 1286 . 14 1 1 A 110 110 ALA H H 110 7.402 7.813 -0.411 1
1 1287 . 14 1 1 A 110 110 ALA HA H 110 4.111 4.215 -0.104 1
1 1291 . 14 1 1 A 110 110 ALA C C 110 177.408 177.927 -0.519 1
1 1292 . 14 1 1 A 110 110 ALA CA C 110 53.000 53.993 -0.993 1
1 1293 . 14 1 1 A 110 110 ALA CB C 110 18.710 18.692 0.018 1
1 1294 . 14 1 1 A 110 110 ALA N N 110 118.992 119.239 -0.247 1
1 1295 . 14 1 1 A 111 111 ALA H H 111 7.247 7.443 -0.196 1
1 1296 . 14 1 1 A 111 111 ALA HA H 111 4.300 4.502 -0.202 1
1 1300 . 14 1 1 A 111 111 ALA C C 111 176.488 177.331 -0.843 1
1 1301 . 14 1 1 A 111 111 ALA CA C 111 51.840 51.396 0.444 1
1 1302 . 14 1 1 A 111 111 ALA CB C 111 19.210 18.898 0.312 1
1 1303 . 14 1 1 A 111 111 ALA N N 111 120.857 118.666 2.191 1
1 19 . 15 1 1 A 2 2 ALA H H 2 8.460 8.442 0.018 1
1 20 . 15 1 1 A 2 2 ALA HA H 2 4.304 4.659 -0.355 1
1 24 . 15 1 1 A 2 2 ALA C C 2 178.183 177.437 0.746 1
1 25 . 15 1 1 A 2 2 ALA CA C 2 52.760 51.640 1.120 1
1 26 . 15 1 1 A 2 2 ALA CB C 2 19.150 20.244 -1.094 1
1 27 . 15 1 1 A 2 2 ALA N N 2 125.375 125.902 -0.527 1
1 28 . 15 1 1 A 3 3 GLY H H 3 8.343 7.921 0.422 1
1 29 . 15 1 1 A 3 3 GLY N N 3 108.577 107.056 1.521 1
1 30 . 15 1 1 A 5 5 LYS HA H 5 4.355 4.687 -0.332 1
1 39 . 15 1 1 A 5 5 LYS CA C 5 56.170 55.989 0.181 1
1 40 . 15 1 1 A 5 5 LYS CB C 5 33.170 32.601 0.569 1
1 44 . 15 1 1 A 6 6 SER HA H 6 4.429 4.112 0.317 1
1 47 . 15 1 1 A 6 6 SER CA C 6 58.390 62.256 -3.866 1
1 48 . 15 1 1 A 6 6 SER CB C 6 64.040 62.875 1.165 1
1 49 . 15 1 1 A 7 7 MET HA H 7 4.435 4.423 0.012 1
1 57 . 15 1 1 A 7 7 MET CA C 7 55.610 58.257 -2.647 1
1 58 . 15 1 1 A 7 7 MET CB C 7 33.550 32.536 1.014 1
1 61 . 15 1 1 A 8 8 ASN HA H 8 4.837 4.456 0.381 1
1 66 . 15 1 1 A 8 8 ASN C C 8 175.910 175.490 0.420 1
1 67 . 15 1 1 A 8 8 ASN CA C 8 52.310 53.851 -1.541 1
1 68 . 15 1 1 A 8 8 ASN CB C 8 38.190 36.947 1.243 1
1 70 . 15 1 1 A 9 9 VAL H H 9 8.400 7.974 0.426 1
1 71 . 15 1 1 A 9 9 VAL HA H 9 3.908 3.964 -0.056 1
1 79 . 15 1 1 A 9 9 VAL C C 9 176.738 177.709 -0.971 1
1 80 . 15 1 1 A 9 9 VAL CA C 9 65.550 66.688 -1.138 1
1 81 . 15 1 1 A 9 9 VAL CB C 9 31.970 31.302 0.668 1
1 84 . 15 1 1 A 9 9 VAL N N 9 121.216 125.440 -4.224 1
1 85 . 15 1 1 A 10 10 GLU H H 10 8.596 8.005 0.591 1
1 86 . 15 1 1 A 10 10 GLU HA H 10 4.077 3.865 0.212 1
1 91 . 15 1 1 A 10 10 GLU C C 10 178.985 178.767 0.218 1
1 92 . 15 1 1 A 10 10 GLU CA C 10 59.390 60.042 -0.652 1
1 93 . 15 1 1 A 10 10 GLU CB C 10 29.000 29.573 -0.573 1
1 95 . 15 1 1 A 10 10 GLU N N 10 121.274 120.929 0.345 1
1 96 . 15 1 1 A 11 11 SER H H 11 7.841 7.909 -0.068 1
1 97 . 15 1 1 A 11 11 SER HA H 11 4.138 4.077 0.061 1
1 100 . 15 1 1 A 11 11 SER C C 11 176.817 176.249 0.568 1
1 101 . 15 1 1 A 11 11 SER CA C 11 60.790 62.256 -1.466 1
1 102 . 15 1 1 A 11 11 SER CB C 11 62.470 63.116 -0.646 1
1 103 . 15 1 1 A 11 11 SER N N 11 115.238 116.606 -1.368 1
1 104 . 15 1 1 A 12 12 TYR H H 12 7.284 7.654 -0.370 1
1 105 . 15 1 1 A 12 12 TYR HA H 12 4.104 4.272 -0.168 1
1 112 . 15 1 1 A 12 12 TYR C C 12 177.132 177.998 -0.866 1
1 113 . 15 1 1 A 12 12 TYR CA C 12 62.060 61.550 0.510 1
1 114 . 15 1 1 A 12 12 TYR CB C 12 38.710 38.037 0.673 1
1 117 . 15 1 1 A 12 12 TYR N N 12 120.370 120.127 0.243 1
1 118 . 15 1 1 A 13 13 GLU H H 13 8.490 8.435 0.055 1
1 119 . 15 1 1 A 13 13 GLU HA H 13 3.432 3.877 -0.445 1
1 124 . 15 1 1 A 13 13 GLU C C 13 177.303 178.561 -1.258 1
1 125 . 15 1 1 A 13 13 GLU CA C 13 60.660 59.688 0.972 1
1 126 . 15 1 1 A 13 13 GLU CB C 13 29.200 28.787 0.413 1
1 128 . 15 1 1 A 13 13 GLU N N 13 120.162 120.709 -0.547 1
1 129 . 15 1 1 A 14 14 LYS H H 14 7.454 7.863 -0.409 1
1 130 . 15 1 1 A 14 14 LYS HA H 14 3.900 4.065 -0.165 1
1 139 . 15 1 1 A 14 14 LYS C C 14 178.249 178.686 -0.437 1
1 140 . 15 1 1 A 14 14 LYS CA C 14 59.620 59.007 0.613 1
1 141 . 15 1 1 A 14 14 LYS CB C 14 32.420 32.059 0.361 1
1 145 . 15 1 1 A 14 14 LYS N N 14 117.838 118.236 -0.398 1
1 146 . 15 1 1 A 15 15 ILE H H 15 7.409 7.612 -0.203 1
1 147 . 15 1 1 A 15 15 ILE HA H 15 3.822 3.959 -0.137 1
1 157 . 15 1 1 A 15 15 ILE C C 15 179.668 178.064 1.604 1
1 158 . 15 1 1 A 15 15 ILE CA C 15 65.030 62.965 2.065 1
1 159 . 15 1 1 A 15 15 ILE CB C 15 38.950 37.701 1.249 1
1 163 . 15 1 1 A 15 15 ILE N N 15 118.597 120.482 -1.885 1
1 164 . 15 1 1 A 16 16 LEU H H 16 8.407 8.147 0.260 1
1 165 . 15 1 1 A 16 16 LEU HA H 16 3.992 4.061 -0.069 1
1 175 . 15 1 1 A 16 16 LEU C C 16 178.512 178.936 -0.424 1
1 176 . 15 1 1 A 16 16 LEU CA C 16 58.230 57.742 0.488 1
1 177 . 15 1 1 A 16 16 LEU CB C 16 42.130 41.308 0.822 1
1 181 . 15 1 1 A 16 16 LEU N N 16 120.642 121.060 -0.418 1
1 182 . 15 1 1 A 17 17 ARG H H 17 8.789 7.938 0.851 1
1 183 . 15 1 1 A 17 17 ARG HA H 17 3.917 4.066 -0.149 1
1 190 . 15 1 1 A 17 17 ARG C C 17 179.602 178.187 1.415 1
1 191 . 15 1 1 A 17 17 ARG CA C 17 60.080 59.384 0.696 1
1 192 . 15 1 1 A 17 17 ARG CB C 17 29.620 29.697 -0.077 1
1 195 . 15 1 1 A 17 17 ARG N N 17 119.196 119.451 -0.255 1
1 196 . 15 1 1 A 18 18 ASP H H 18 8.638 7.690 0.948 1
1 197 . 15 1 1 A 18 18 ASP HA H 18 4.418 4.481 -0.063 1
1 200 . 15 1 1 A 18 18 ASP C C 18 179.116 178.856 0.260 1
1 201 . 15 1 1 A 18 18 ASP CA C 18 57.330 56.497 0.833 1
1 202 . 15 1 1 A 18 18 ASP CB C 18 39.700 40.441 -0.741 1
1 203 . 15 1 1 A 18 18 ASP N N 18 121.383 118.550 2.833 1
1 204 . 15 1 1 A 19 19 ARG H H 19 7.947 7.866 0.081 1
1 205 . 15 1 1 A 19 19 ARG HA H 19 4.180 3.984 0.196 1
1 212 . 15 1 1 A 19 19 ARG C C 19 177.855 178.657 -0.802 1
1 213 . 15 1 1 A 19 19 ARG CA C 19 57.680 59.365 -1.685 1
1 214 . 15 1 1 A 19 19 ARG CB C 19 29.540 29.969 -0.429 1
1 217 . 15 1 1 A 19 19 ARG N N 19 121.506 120.870 0.636 1
1 218 . 15 1 1 A 20 20 GLN H H 20 8.691 8.159 0.532 1
1 219 . 15 1 1 A 20 20 GLN HA H 20 3.589 3.959 -0.370 1
1 226 . 15 1 1 A 20 20 GLN C C 20 176.896 178.169 -1.273 1
1 227 . 15 1 1 A 20 20 GLN CA C 20 59.620 58.695 0.925 1
1 228 . 15 1 1 A 20 20 GLN CB C 20 30.020 27.869 2.151 1
1 230 . 15 1 1 A 20 20 GLN N N 20 120.162 117.301 2.861 1
1 232 . 15 1 1 A 21 21 ARG H H 21 7.959 7.823 0.136 1
1 233 . 15 1 1 A 21 21 ARG HA H 21 3.973 4.121 -0.148 1
1 240 . 15 1 1 A 21 21 ARG C C 21 178.985 178.660 0.325 1
1 241 . 15 1 1 A 21 21 ARG CA C 21 59.800 59.599 0.201 1
1 242 . 15 1 1 A 21 21 ARG CB C 21 29.980 30.075 -0.095 1
1 245 . 15 1 1 A 21 21 ARG N N 21 117.219 119.447 -2.228 1
1 246 . 15 1 1 A 22 22 GLU H H 22 7.700 8.169 -0.469 1
1 247 . 15 1 1 A 22 22 GLU HA H 22 4.076 4.216 -0.140 1
1 252 . 15 1 1 A 22 22 GLU C C 22 179.090 179.031 0.059 1
1 253 . 15 1 1 A 22 22 GLU CA C 22 58.950 59.142 -0.192 1
1 254 . 15 1 1 A 22 22 GLU CB C 22 29.580 29.191 0.389 1
1 256 . 15 1 1 A 22 22 GLU N N 22 119.703 118.034 1.669 1
1 257 . 15 1 1 A 23 23 LEU H H 23 8.264 8.134 0.130 1
1 258 . 15 1 1 A 23 23 LEU HA H 23 3.979 3.844 0.135 1
1 268 . 15 1 1 A 23 23 LEU C C 23 179.234 178.425 0.809 1
1 269 . 15 1 1 A 23 23 LEU CA C 23 57.990 57.927 0.063 1
1 270 . 15 1 1 A 23 23 LEU CB C 23 42.370 42.230 0.140 1
1 274 . 15 1 1 A 23 23 LEU N N 23 119.988 121.547 -1.559 1
1 275 . 15 1 1 A 24 24 TYR H H 24 8.688 8.326 0.362 1
1 276 . 15 1 1 A 24 24 TYR HA H 24 4.084 3.994 0.090 1
1 283 . 15 1 1 A 24 24 TYR C C 24 178.630 178.541 0.089 1
1 284 . 15 1 1 A 24 24 TYR CA C 24 61.670 61.108 0.562 1
1 285 . 15 1 1 A 24 24 TYR CB C 24 37.780 38.227 -0.447 1
1 288 . 15 1 1 A 24 24 TYR N N 24 119.101 117.817 1.284 1
1 289 . 15 1 1 A 25 25 ARG H H 25 7.945 7.865 0.080 1
1 290 . 15 1 1 A 25 25 ARG HA H 25 4.043 4.180 -0.137 1
1 297 . 15 1 1 A 25 25 ARG C C 25 178.683 178.697 -0.014 1
1 298 . 15 1 1 A 25 25 ARG CA C 25 59.460 58.633 0.827 1
1 299 . 15 1 1 A 25 25 ARG CB C 25 30.160 29.799 0.361 1
1 302 . 15 1 1 A 25 25 ARG N N 25 118.297 117.997 0.300 1
1 303 . 15 1 1 A 26 26 ARG H H 26 7.726 7.714 0.012 1
1 304 . 15 1 1 A 26 26 ARG HA H 26 4.067 4.101 -0.034 1
1 311 . 15 1 1 A 26 26 ARG C C 26 177.986 178.839 -0.853 1
1 312 . 15 1 1 A 26 26 ARG CA C 26 58.300 58.926 -0.626 1
1 313 . 15 1 1 A 26 26 ARG CB C 26 30.670 29.969 0.701 1
1 316 . 15 1 1 A 26 26 ARG N N 26 118.100 120.049 -1.949 1
1 317 . 15 1 1 A 27 27 LEU H H 27 7.971 7.989 -0.018 1
1 318 . 15 1 1 A 27 27 LEU HA H 27 4.095 4.077 0.018 1
1 328 . 15 1 1 A 27 27 LEU C C 27 177.461 177.780 -0.319 1
1 329 . 15 1 1 A 27 27 LEU CA C 27 56.260 57.391 -1.131 1
1 330 . 15 1 1 A 27 27 LEU CB C 27 42.260 41.280 0.980 1
1 334 . 15 1 1 A 27 27 LEU N N 27 118.633 117.302 1.331 1
1 335 . 15 1 1 A 28 28 HIS H H 28 7.863 7.763 0.100 1
1 336 . 15 1 1 A 28 28 HIS HA H 28 4.482 4.720 -0.238 1
1 341 . 15 1 1 A 28 28 HIS C C 28 174.741 176.186 -1.445 1
1 342 . 15 1 1 A 28 28 HIS CA C 28 56.310 56.626 -0.316 1
1 343 . 15 1 1 A 28 28 HIS CB C 28 29.300 29.170 0.130 1
1 346 . 15 1 1 A 28 28 HIS N N 28 116.767 117.633 -0.866 1
1 347 . 15 1 1 A 29 29 LYS H H 29 7.893 8.475 -0.582 1
1 348 . 15 1 1 A 29 29 LYS HA H 29 4.172 4.032 0.140 1
1 357 . 15 1 1 A 29 29 LYS C C 29 176.357 177.895 -1.538 1
1 358 . 15 1 1 A 29 29 LYS CA C 29 56.830 58.703 -1.873 1
1 359 . 15 1 1 A 29 29 LYS CB C 29 32.000 31.784 0.216 1
1 363 . 15 1 1 A 29 29 LYS N N 29 120.331 118.801 1.530 1
1 364 . 15 1 1 A 30 30 ILE H H 30 7.995 7.780 0.215 1
1 365 . 15 1 1 A 30 30 ILE HA H 30 4.085 3.944 0.141 1
1 375 . 15 1 1 A 30 30 ILE C C 30 176.344 177.230 -0.886 1
1 376 . 15 1 1 A 30 30 ILE CA C 30 61.440 64.406 -2.966 1
1 377 . 15 1 1 A 30 30 ILE CB C 30 39.020 37.324 1.696 1
1 381 . 15 1 1 A 30 30 ILE N N 30 120.440 116.788 3.652 1
1 382 . 15 1 1 A 31 31 GLU H H 31 8.367 8.269 0.098 1
1 383 . 15 1 1 A 31 31 GLU HA H 31 4.159 4.552 -0.393 1
1 388 . 15 1 1 A 31 31 GLU C C 31 176.265 175.737 0.528 1
1 389 . 15 1 1 A 31 31 GLU CA C 31 56.890 56.212 0.678 1
1 390 . 15 1 1 A 31 31 GLU CB C 31 30.050 30.693 -0.643 1
1 392 . 15 1 1 A 31 31 GLU N N 31 124.043 118.242 5.801 1
1 393 . 15 1 1 A 32 32 ALA H H 32 8.138 7.908 0.230 1
1 394 . 15 1 1 A 32 32 ALA HA H 32 4.175 4.574 -0.399 1
1 398 . 15 1 1 A 32 32 ALA C C 32 177.198 175.739 1.459 1
1 399 . 15 1 1 A 32 32 ALA CA C 32 52.620 50.655 1.965 1
1 400 . 15 1 1 A 32 32 ALA CB C 32 19.490 19.801 -0.311 1
1 401 . 15 1 1 A 32 32 ALA N N 32 124.170 124.016 0.154 1
1 402 . 15 1 1 A 33 33 ASP H H 33 8.157 8.944 -0.787 1
1 403 . 15 1 1 A 33 33 ASP HA H 33 4.467 4.953 -0.486 1
1 406 . 15 1 1 A 33 33 ASP C C 33 175.910 176.284 -0.374 1
1 407 . 15 1 1 A 33 33 ASP CA C 33 54.500 53.252 1.248 1
1 408 . 15 1 1 A 33 33 ASP CB C 33 40.750 39.209 1.541 1
1 409 . 15 1 1 A 33 33 ASP N N 33 118.904 124.127 -5.223 1
1 410 . 15 1 1 A 34 34 PHE H H 34 7.884 8.214 -0.330 1
1 411 . 15 1 1 A 34 34 PHE HA H 34 4.514 4.172 0.342 1
1 418 . 15 1 1 A 34 34 PHE C C 34 175.319 176.031 -0.712 1
1 419 . 15 1 1 A 34 34 PHE CA C 34 57.610 58.657 -1.047 1
1 420 . 15 1 1 A 34 34 PHE CB C 34 39.840 37.229 2.611 1
1 423 . 15 1 1 A 34 34 PHE N N 34 119.439 120.643 -1.204 1
1 424 . 15 1 1 A 35 35 GLU H H 35 8.084 8.161 -0.077 1
1 425 . 15 1 1 A 35 35 GLU HA H 35 4.190 4.283 -0.093 1
1 430 . 15 1 1 A 35 35 GLU C C 35 175.634 175.934 -0.300 1
1 431 . 15 1 1 A 35 35 GLU CA C 35 56.140 56.135 0.005 1
1 432 . 15 1 1 A 35 35 GLU CB C 35 30.810 30.546 0.264 1
1 434 . 15 1 1 A 35 35 GLU N N 35 122.340 123.950 -1.610 1
1 435 . 15 1 1 A 36 36 GLU H H 36 8.172 7.794 0.378 1
1 436 . 15 1 1 A 36 36 GLU HA H 36 4.442 3.907 0.535 1
1 441 . 15 1 1 A 36 36 GLU CA C 36 54.300 57.046 -2.746 1
1 442 . 15 1 1 A 36 36 GLU CB C 36 29.490 28.080 1.410 1
1 444 . 15 1 1 A 36 36 GLU N N 36 123.278 118.332 4.946 1
1 445 . 15 1 1 A 37 37 PRO HA H 37 4.339 4.349 -0.010 1
1 452 . 15 1 1 A 37 37 PRO C C 37 175.818 176.511 -0.693 1
1 453 . 15 1 1 A 37 37 PRO CA C 37 62.800 65.139 -2.339 1
1 454 . 15 1 1 A 37 37 PRO CB C 37 31.900 31.861 0.039 1
1 457 . 15 1 1 A 38 38 ARG H H 38 8.412 7.720 0.692 1
1 458 . 15 1 1 A 38 38 ARG HA H 38 4.255 4.644 -0.389 1
1 465 . 15 1 1 A 38 38 ARG C C 38 175.818 175.161 0.657 1
1 466 . 15 1 1 A 38 38 ARG CA C 38 55.350 54.634 0.716 1
1 467 . 15 1 1 A 38 38 ARG CB C 38 31.010 31.127 -0.117 1
1 470 . 15 1 1 A 38 38 ARG N N 38 121.791 113.312 8.479 1
1 471 . 15 1 1 A 39 39 ASN H H 39 8.624 8.782 -0.158 1
1 472 . 15 1 1 A 39 39 ASN HA H 39 4.906 5.152 -0.246 1
1 477 . 15 1 1 A 39 39 ASN CA C 39 51.100 51.484 -0.384 1
1 478 . 15 1 1 A 39 39 ASN CB C 39 38.560 38.105 0.455 1
1 479 . 15 1 1 A 39 39 ASN N N 39 121.594 121.534 0.060 1
1 481 . 15 1 1 A 40 40 PRO HA H 40 4.310 4.509 -0.199 1
1 488 . 15 1 1 A 40 40 PRO C C 40 176.896 176.192 0.704 1
1 489 . 15 1 1 A 40 40 PRO CA C 40 63.970 64.543 -0.573 1
1 490 . 15 1 1 A 40 40 PRO CB C 40 32.210 32.169 0.041 1
1 493 . 15 1 1 A 41 41 ASP H H 41 8.219 8.285 -0.066 1
1 494 . 15 1 1 A 41 41 ASP HA H 41 4.516 4.812 -0.296 1
1 497 . 15 1 1 A 41 41 ASP C C 41 176.252 174.778 1.474 1
1 498 . 15 1 1 A 41 41 ASP CA C 41 54.740 53.260 1.480 1
1 499 . 15 1 1 A 41 41 ASP CB C 41 41.100 40.818 0.282 1
1 500 . 15 1 1 A 41 41 ASP N N 41 118.818 118.755 0.063 1
1 501 . 15 1 1 A 42 42 ASP H H 42 7.949 8.791 -0.842 1
1 502 . 15 1 1 A 42 42 ASP HA H 42 4.516 4.747 -0.231 1
1 505 . 15 1 1 A 42 42 ASP C C 42 176.567 176.132 0.435 1
1 506 . 15 1 1 A 42 42 ASP CA C 42 54.910 54.239 0.671 1
1 507 . 15 1 1 A 42 42 ASP CB C 42 41.100 40.699 0.401 1
1 508 . 15 1 1 A 42 42 ASP N N 42 120.104 125.705 -5.601 1
1 509 . 15 1 1 A 43 43 GLU H H 43 8.179 9.134 -0.955 1
1 510 . 15 1 1 A 43 43 GLU HA H 43 4.153 4.214 -0.061 1
1 515 . 15 1 1 A 43 43 GLU C C 43 176.488 175.854 0.634 1
1 516 . 15 1 1 A 43 43 GLU CA C 43 57.070 58.457 -1.387 1
1 517 . 15 1 1 A 43 43 GLU CB C 43 30.430 31.064 -0.634 1
1 519 . 15 1 1 A 43 43 GLU N N 43 121.153 123.537 -2.384 1
1 520 . 15 1 1 A 44 44 ASP H H 44 8.325 8.117 0.208 1
1 521 . 15 1 1 A 44 44 ASP HA H 44 4.517 4.697 -0.180 1
1 524 . 15 1 1 A 44 44 ASP C C 44 176.462 174.228 2.234 1
1 525 . 15 1 1 A 44 44 ASP CA C 44 54.360 54.704 -0.344 1
1 526 . 15 1 1 A 44 44 ASP CB C 44 41.030 39.864 1.166 1
1 527 . 15 1 1 A 44 44 ASP N N 44 121.100 119.344 1.756 1
1 528 . 15 1 1 A 45 45 ARG H H 45 8.106 8.932 -0.826 1
1 529 . 15 1 1 A 45 45 ARG HA H 45 4.252 4.873 -0.621 1
1 536 . 15 1 1 A 45 45 ARG C C 45 176.475 175.345 1.130 1
1 537 . 15 1 1 A 45 45 ARG CA C 45 56.000 54.477 1.523 1
1 538 . 15 1 1 A 45 45 ARG CB C 45 30.360 31.339 -0.979 1
1 541 . 15 1 1 A 45 45 ARG N N 45 121.258 124.320 -3.062 1
1 542 . 15 1 1 A 46 46 ALA H H 46 8.235 8.777 -0.542 1
1 543 . 15 1 1 A 46 46 ALA HA H 46 4.220 4.318 -0.098 1
1 547 . 15 1 1 A 46 46 ALA C C 46 178.196 176.687 1.509 1
1 548 . 15 1 1 A 46 46 ALA CA C 46 53.070 52.004 1.066 1
1 549 . 15 1 1 A 46 46 ALA CB C 46 18.840 17.322 1.518 1
1 550 . 15 1 1 A 46 46 ALA N N 46 124.506 129.951 -5.445 1
1 551 . 15 1 1 A 47 47 SER H H 47 8.150 7.726 0.424 1
1 552 . 15 1 1 A 47 47 SER HA H 47 4.331 4.457 -0.126 1
1 555 . 15 1 1 A 47 47 SER C C 47 174.727 174.255 0.472 1
1 556 . 15 1 1 A 47 47 SER CA C 47 58.820 56.795 2.025 1
1 557 . 15 1 1 A 47 47 SER CB C 47 63.520 65.191 -1.671 1
1 558 . 15 1 1 A 47 47 SER N N 47 114.398 115.146 -0.748 1
1 559 . 15 1 1 A 48 48 GLU H H 48 8.235 8.822 -0.587 1
1 560 . 15 1 1 A 48 48 GLU HA H 48 4.244 4.340 -0.096 1
1 565 . 15 1 1 A 48 48 GLU C C 48 176.396 177.861 -1.465 1
1 566 . 15 1 1 A 48 48 GLU CA C 48 56.550 56.058 0.492 1
1 567 . 15 1 1 A 48 48 GLU CB C 48 30.330 30.579 -0.249 1
1 569 . 15 1 1 A 48 48 GLU N N 48 122.340 123.039 -0.699 1
1 570 . 15 1 1 A 49 49 ARG H H 49 8.174 8.879 -0.705 1
1 571 . 15 1 1 A 49 49 ARG HA H 49 4.339 4.164 0.175 1
1 578 . 15 1 1 A 49 49 ARG C C 49 176.344 176.869 -0.525 1
1 579 . 15 1 1 A 49 49 ARG CA C 49 55.900 58.850 -2.950 1
1 580 . 15 1 1 A 49 49 ARG CB C 49 30.980 30.770 0.210 1
1 583 . 15 1 1 A 49 49 ARG N N 49 121.431 123.065 -1.634 1
1 584 . 15 1 1 A 50 50 SER H H 50 8.389 8.053 0.336 1
1 585 . 15 1 1 A 50 50 SER HA H 50 4.392 4.402 -0.010 1
1 588 . 15 1 1 A 50 50 SER C C 50 174.517 174.103 0.414 1
1 589 . 15 1 1 A 50 50 SER CA C 50 58.230 58.701 -0.471 1
1 590 . 15 1 1 A 50 50 SER CB C 50 64.010 62.740 1.270 1
1 591 . 15 1 1 A 50 50 SER N N 50 117.321 114.648 2.673 1
1 592 . 15 1 1 A 51 51 ASN H H 51 8.488 8.986 -0.498 1
1 593 . 15 1 1 A 51 51 ASN HA H 51 4.657 4.419 0.238 1
1 598 . 15 1 1 A 51 51 ASN C C 51 175.122 175.856 -0.734 1
1 599 . 15 1 1 A 51 51 ASN CA C 51 53.780 53.857 -0.077 1
1 600 . 15 1 1 A 51 51 ASN CB C 51 38.770 37.002 1.768 1
1 601 . 15 1 1 A 51 51 ASN N N 51 120.903 122.638 -1.735 1
1 603 . 15 1 1 A 52 52 ASP H H 52 8.231 8.443 -0.212 1
1 604 . 15 1 1 A 52 52 ASP HA H 52 4.517 4.573 -0.056 1
1 607 . 15 1 1 A 52 52 ASP C C 52 176.291 176.679 -0.388 1
1 608 . 15 1 1 A 52 52 ASP CA C 52 54.500 54.256 0.244 1
1 609 . 15 1 1 A 52 52 ASP CB C 52 41.170 40.341 0.829 1
1 610 . 15 1 1 A 52 52 ASP N N 52 120.236 125.038 -4.802 1
1 611 . 15 1 1 A 53 53 GLU H H 53 8.139 7.475 0.664 1
1 612 . 15 1 1 A 53 53 GLU HA H 53 4.194 4.336 -0.142 1
1 617 . 15 1 1 A 53 53 GLU C C 53 176.606 177.342 -0.736 1
1 618 . 15 1 1 A 53 53 GLU CA C 53 56.930 56.779 0.151 1
1 619 . 15 1 1 A 53 53 GLU CB C 53 30.500 29.843 0.657 1
1 621 . 15 1 1 A 53 53 GLU N N 53 120.655 121.035 -0.380 1
1 622 . 15 1 1 A 54 54 VAL H H 54 8.061 8.818 -0.757 1
1 623 . 15 1 1 A 54 54 VAL HA H 54 3.978 3.780 0.198 1
1 631 . 15 1 1 A 54 54 VAL C C 54 176.278 176.372 -0.094 1
1 632 . 15 1 1 A 54 54 VAL CA C 54 62.880 66.079 -3.199 1
1 633 . 15 1 1 A 54 54 VAL CB C 54 32.660 32.055 0.605 1
1 636 . 15 1 1 A 54 54 VAL N N 54 121.320 124.063 -2.743 1
1 637 . 15 1 1 A 55 55 LEU H H 55 8.209 8.016 0.193 1
1 638 . 15 1 1 A 55 55 LEU HA H 55 4.273 4.044 0.229 1
1 648 . 15 1 1 A 55 55 LEU C C 55 177.355 176.596 0.759 1
1 649 . 15 1 1 A 55 55 LEU CA C 55 55.290 55.657 -0.367 1
1 650 . 15 1 1 A 55 55 LEU CB C 55 42.190 40.674 1.516 1
1 654 . 15 1 1 A 55 55 LEU N N 55 125.139 122.383 2.756 1
1 655 . 15 1 1 A 56 56 ASP H H 56 8.204 8.501 -0.297 1
1 656 . 15 1 1 A 56 56 ASP HA H 56 4.516 4.542 -0.026 1
1 659 . 15 1 1 A 56 56 ASP C C 56 176.633 177.094 -0.461 1
1 660 . 15 1 1 A 56 56 ASP CA C 56 54.360 56.170 -1.810 1
1 661 . 15 1 1 A 56 56 ASP CB C 56 41.070 40.316 0.754 1
1 662 . 15 1 1 A 56 56 ASP N N 56 121.154 126.530 -5.376 1
1 663 . 15 1 1 A 57 57 GLU H H 57 8.316 7.941 0.375 1
1 664 . 15 1 1 A 57 57 GLU HA H 57 4.164 4.399 -0.235 1
1 669 . 15 1 1 A 57 57 GLU C C 57 177.158 176.727 0.431 1
1 670 . 15 1 1 A 57 57 GLU CA C 57 57.650 56.700 0.950 1
1 671 . 15 1 1 A 57 57 GLU CB C 57 30.020 30.135 -0.115 1
1 673 . 15 1 1 A 57 57 GLU N N 57 120.771 117.552 3.219 1
1 674 . 15 1 1 A 58 58 LEU H H 58 8.204 7.319 0.885 1
1 675 . 15 1 1 A 58 58 LEU HA H 58 4.231 4.597 -0.366 1
1 685 . 15 1 1 A 58 58 LEU C C 58 178.538 177.565 0.973 1
1 686 . 15 1 1 A 58 58 LEU CA C 58 55.690 54.328 1.362 1
1 687 . 15 1 1 A 58 58 LEU CB C 58 42.230 42.502 -0.272 1
1 691 . 15 1 1 A 58 58 LEU N N 58 120.716 121.200 -0.484 1
1 692 . 15 1 1 A 59 59 GLY H H 59 8.212 8.533 -0.321 1
1 693 . 15 1 1 A 59 59 GLY HA2 H 59 3.917 4.068 -0.151 1
1 694 . 15 1 1 A 59 59 GLY HA3 H 59 3.917 4.077 -0.160 1
1 695 . 15 1 1 A 59 59 GLY C C 59 174.294 175.724 -1.430 1
1 696 . 15 1 1 A 59 59 GLY CA C 59 45.550 45.715 -0.165 1
1 697 . 15 1 1 A 59 59 GLY N N 59 108.670 110.343 -1.673 1
1 698 . 15 1 1 A 60 60 GLN H H 60 8.310 8.828 -0.518 1
1 699 . 15 1 1 A 60 60 GLN HA H 60 4.079 3.881 0.198 1
1 706 . 15 1 1 A 60 60 GLN C C 60 177.171 177.190 -0.019 1
1 707 . 15 1 1 A 60 60 GLN CA C 60 57.590 58.398 -0.808 1
1 708 . 15 1 1 A 60 60 GLN CB C 60 28.960 28.196 0.764 1
1 710 . 15 1 1 A 60 60 GLN N N 60 120.662 124.001 -3.339 1
1 712 . 15 1 1 A 61 61 VAL H H 61 8.136 8.090 0.046 1
1 713 . 15 1 1 A 61 61 VAL HA H 61 3.971 3.713 0.258 1
1 721 . 15 1 1 A 61 61 VAL C C 61 178.262 177.756 0.506 1
1 722 . 15 1 1 A 61 61 VAL CA C 61 64.420 66.232 -1.812 1
1 723 . 15 1 1 A 61 61 VAL CB C 61 32.110 31.027 1.083 1
1 726 . 15 1 1 A 61 61 VAL N N 61 119.154 119.336 -0.182 1
1 727 . 15 1 1 A 62 62 GLY H H 62 8.183 8.264 -0.081 1
1 728 . 15 1 1 A 62 62 GLY HA2 H 62 3.966 3.665 0.301 1
1 729 . 15 1 1 A 62 62 GLY HA3 H 62 3.783 3.683 0.100 1
1 730 . 15 1 1 A 62 62 GLY C C 62 174.872 175.744 -0.872 1
1 731 . 15 1 1 A 62 62 GLY CA C 62 46.780 47.035 -0.255 1
1 732 . 15 1 1 A 62 62 GLY N N 62 110.813 108.542 2.271 1
1 733 . 15 1 1 A 63 63 GLN H H 63 8.235 8.004 0.231 1
1 734 . 15 1 1 A 63 63 GLN HA H 63 3.966 3.933 0.033 1
1 741 . 15 1 1 A 63 63 GLN C C 63 178.170 178.383 -0.213 1
1 742 . 15 1 1 A 63 63 GLN CA C 63 58.990 58.517 0.473 1
1 743 . 15 1 1 A 63 63 GLN CB C 63 28.500 28.544 -0.044 1
1 745 . 15 1 1 A 63 63 GLN N N 63 120.667 121.018 -0.351 1
1 747 . 15 1 1 A 64 64 ASP H H 64 8.386 8.223 0.163 1
1 748 . 15 1 1 A 64 64 ASP HA H 64 4.347 4.302 0.045 1
1 751 . 15 1 1 A 64 64 ASP C C 64 178.669 178.805 -0.136 1
1 752 . 15 1 1 A 64 64 ASP CA C 64 56.860 57.428 -0.568 1
1 753 . 15 1 1 A 64 64 ASP CB C 64 39.970 41.370 -1.400 1
1 754 . 15 1 1 A 64 64 ASP N N 64 120.058 119.744 0.314 1
1 755 . 15 1 1 A 65 65 GLU H H 65 7.992 7.807 0.185 1
1 756 . 15 1 1 A 65 65 GLU HA H 65 3.542 3.959 -0.417 1
1 761 . 15 1 1 A 65 65 GLU C C 65 177.842 178.518 -0.676 1
1 762 . 15 1 1 A 65 65 GLU CA C 65 59.560 58.733 0.827 1
1 763 . 15 1 1 A 65 65 GLU CB C 65 29.100 29.105 -0.005 1
1 765 . 15 1 1 A 65 65 GLU N N 65 123.846 119.525 4.321 1
1 766 . 15 1 1 A 66 66 LEU H H 66 8.100 7.989 0.111 1
1 767 . 15 1 1 A 66 66 LEU HA H 66 3.783 3.849 -0.066 1
1 777 . 15 1 1 A 66 66 LEU C C 66 178.893 178.034 0.859 1
1 778 . 15 1 1 A 66 66 LEU CA C 66 58.610 57.737 0.873 1
1 779 . 15 1 1 A 66 66 LEU CB C 66 41.510 41.545 -0.035 1
1 783 . 15 1 1 A 66 66 LEU N N 66 119.444 121.107 -1.663 1
1 784 . 15 1 1 A 67 67 ARG H H 67 7.870 7.680 0.190 1
1 785 . 15 1 1 A 67 67 ARG HA H 67 4.095 3.993 0.102 1
1 792 . 15 1 1 A 67 67 ARG C C 67 179.484 178.289 1.195 1
1 793 . 15 1 1 A 67 67 ARG CA C 67 59.490 59.213 0.277 1
1 794 . 15 1 1 A 67 67 ARG CB C 67 30.230 29.549 0.681 1
1 797 . 15 1 1 A 67 67 ARG N N 67 118.088 119.118 -1.030 1
1 798 . 15 1 1 A 68 68 ALA H H 68 7.820 7.829 -0.009 1
1 799 . 15 1 1 A 68 68 ALA HA H 68 4.188 4.051 0.137 1
1 803 . 15 1 1 A 68 68 ALA C C 68 181.626 180.537 1.089 1
1 804 . 15 1 1 A 68 68 ALA CA C 68 54.840 55.011 -0.171 1
1 805 . 15 1 1 A 68 68 ALA CB C 68 18.400 18.310 0.090 1
1 806 . 15 1 1 A 68 68 ALA N N 68 123.318 122.062 1.256 1
1 807 . 15 1 1 A 69 69 ILE H H 69 8.643 7.825 0.818 1
1 808 . 15 1 1 A 69 69 ILE HA H 69 3.539 3.733 -0.194 1
1 818 . 15 1 1 A 69 69 ILE C C 69 177.290 177.420 -0.130 1
1 819 . 15 1 1 A 69 69 ILE CA C 69 66.370 65.346 1.024 1
1 820 . 15 1 1 A 69 69 ILE CB C 69 38.090 37.232 0.858 1
1 824 . 15 1 1 A 69 69 ILE N N 69 122.954 119.047 3.907 1
1 825 . 15 1 1 A 70 70 ASP H H 70 8.415 8.272 0.143 1
1 826 . 15 1 1 A 70 70 ASP HA H 70 4.336 4.375 -0.039 1
1 829 . 15 1 1 A 70 70 ASP C C 70 179.786 177.875 1.911 1
1 830 . 15 1 1 A 70 70 ASP CA C 70 58.130 57.663 0.467 1
1 831 . 15 1 1 A 70 70 ASP CB C 70 40.310 41.716 -1.406 1
1 832 . 15 1 1 A 70 70 ASP N N 70 121.571 121.943 -0.372 1
1 833 . 15 1 1 A 71 71 ALA H H 71 7.869 8.113 -0.244 1
1 834 . 15 1 1 A 71 71 ALA HA H 71 4.215 4.212 0.003 1
1 838 . 15 1 1 A 71 71 ALA C C 71 180.246 179.855 0.391 1
1 839 . 15 1 1 A 71 71 ALA CA C 71 54.500 54.810 -0.310 1
1 840 . 15 1 1 A 71 71 ALA CB C 71 17.680 18.233 -0.553 1
1 841 . 15 1 1 A 71 71 ALA N N 71 121.459 121.064 0.395 1
1 842 . 15 1 1 A 72 72 ALA H H 72 8.263 7.973 0.290 1
1 843 . 15 1 1 A 72 72 ALA HA H 72 4.045 4.256 -0.211 1
1 847 . 15 1 1 A 72 72 ALA C C 72 179.668 179.994 -0.326 1
1 848 . 15 1 1 A 72 72 ALA CA C 72 55.560 55.159 0.401 1
1 849 . 15 1 1 A 72 72 ALA CB C 72 19.870 18.578 1.292 1
1 850 . 15 1 1 A 72 72 ALA N N 72 123.378 120.827 2.551 1
1 851 . 15 1 1 A 73 73 LEU H H 73 8.790 8.440 0.350 1
1 852 . 15 1 1 A 73 73 LEU HA H 73 3.920 3.969 -0.049 1
1 862 . 15 1 1 A 73 73 LEU C C 73 180.286 179.190 1.096 1
1 863 . 15 1 1 A 73 73 LEU CA C 73 58.130 57.890 0.240 1
1 864 . 15 1 1 A 73 73 LEU CB C 73 41.200 40.856 0.344 1
1 868 . 15 1 1 A 73 73 LEU N N 73 119.015 117.864 1.151 1
1 869 . 15 1 1 A 74 74 ALA H H 74 7.931 8.146 -0.215 1
1 870 . 15 1 1 A 74 74 ALA HA H 74 4.273 4.087 0.186 1
1 874 . 15 1 1 A 74 74 ALA C C 74 180.811 180.079 0.732 1
1 875 . 15 1 1 A 74 74 ALA CA C 74 54.960 55.709 -0.749 1
1 876 . 15 1 1 A 74 74 ALA CB C 74 17.690 18.571 -0.881 1
1 877 . 15 1 1 A 74 74 ALA N N 74 124.135 122.260 1.875 1
1 878 . 15 1 1 A 75 75 ARG H H 75 7.898 8.196 -0.298 1
1 879 . 15 1 1 A 75 75 ARG HA H 75 4.138 4.048 0.090 1
1 886 . 15 1 1 A 75 75 ARG C C 75 179.721 178.982 0.739 1
1 887 . 15 1 1 A 75 75 ARG CA C 75 60.170 59.295 0.875 1
1 888 . 15 1 1 A 75 75 ARG CB C 75 29.970 29.882 0.088 1
1 891 . 15 1 1 A 75 75 ARG N N 75 120.143 117.440 2.703 1
1 892 . 15 1 1 A 76 76 ILE H H 76 8.061 7.992 0.069 1
1 893 . 15 1 1 A 76 76 ILE HA H 76 3.697 3.788 -0.091 1
1 903 . 15 1 1 A 76 76 ILE C C 76 179.392 178.173 1.219 1
1 904 . 15 1 1 A 76 76 ILE CA C 76 66.060 65.549 0.511 1
1 905 . 15 1 1 A 76 76 ILE CB C 76 37.240 37.761 -0.521 1
1 909 . 15 1 1 A 76 76 ILE N N 76 121.537 121.915 -0.378 1
1 910 . 15 1 1 A 77 77 ALA H H 77 7.735 7.903 -0.168 1
1 911 . 15 1 1 A 77 77 ALA HA H 77 4.132 4.174 -0.042 1
1 915 . 15 1 1 A 77 77 ALA C C 77 179.326 178.472 0.854 1
1 916 . 15 1 1 A 77 77 ALA CA C 77 54.910 54.667 0.243 1
1 917 . 15 1 1 A 77 77 ALA CB C 77 17.950 18.332 -0.382 1
1 918 . 15 1 1 A 77 77 ALA N N 77 122.664 122.700 -0.036 1
1 919 . 15 1 1 A 78 78 SER H H 78 7.999 7.807 0.192 1
1 920 . 15 1 1 A 78 78 SER HA H 78 4.472 4.570 -0.098 1
1 923 . 15 1 1 A 78 78 SER C C 78 174.675 174.671 0.004 1
1 924 . 15 1 1 A 78 78 SER CA C 78 59.260 58.831 0.429 1
1 925 . 15 1 1 A 78 78 SER CB C 78 64.070 64.309 -0.239 1
1 926 . 15 1 1 A 78 78 SER N N 78 111.061 111.545 -0.484 1
1 927 . 15 1 1 A 79 79 GLY H H 79 7.844 8.096 -0.252 1
1 928 . 15 1 1 A 79 79 GLY HA2 H 79 4.233 4.015 0.218 1
1 929 . 15 1 1 A 79 79 GLY HA3 H 79 4.087 4.031 0.056 1
1 930 . 15 1 1 A 79 79 GLY C C 79 175.687 174.204 1.483 1
1 931 . 15 1 1 A 79 79 GLY CA C 79 46.470 46.402 0.068 1
1 932 . 15 1 1 A 79 79 GLY N N 79 109.909 109.664 0.245 1
1 933 . 15 1 1 A 80 80 THR H H 80 8.408 8.042 0.366 1
1 934 . 15 1 1 A 80 80 THR HA H 80 4.504 4.645 -0.141 1
1 939 . 15 1 1 A 80 80 THR C C 80 174.793 173.801 0.992 1
1 940 . 15 1 1 A 80 80 THR CA C 80 60.280 61.004 -0.724 1
1 941 . 15 1 1 A 80 80 THR CB C 80 69.000 69.677 -0.677 1
1 943 . 15 1 1 A 80 80 THR N N 80 109.416 114.582 -5.166 1
1 944 . 15 1 1 A 81 81 PHE H H 81 7.610 7.790 -0.180 1
1 945 . 15 1 1 A 81 81 PHE HA H 81 3.944 4.255 -0.311 1
1 950 . 15 1 1 A 81 81 PHE C C 81 176.462 176.853 -0.391 1
1 951 . 15 1 1 A 81 81 PHE CA C 81 59.940 59.856 0.084 1
1 952 . 15 1 1 A 81 81 PHE CB C 81 39.700 38.815 0.885 1
1 954 . 15 1 1 A 81 81 PHE N N 81 123.672 123.544 0.128 1
1 955 . 15 1 1 A 82 82 GLY H H 82 8.827 7.975 0.852 1
1 956 . 15 1 1 A 82 82 GLY HA2 H 82 4.000 3.348 0.652 1
1 957 . 15 1 1 A 82 82 GLY HA3 H 82 2.606 3.580 -0.974 1
1 958 . 15 1 1 A 82 82 GLY C C 82 172.388 174.012 -1.624 1
1 959 . 15 1 1 A 82 82 GLY CA C 82 44.590 46.316 -1.726 1
1 960 . 15 1 1 A 82 82 GLY N N 82 115.493 113.568 1.925 1
1 961 . 15 1 1 A 83 83 THR H H 83 7.265 7.462 -0.197 1
1 962 . 15 1 1 A 83 83 THR HA H 83 4.418 4.726 -0.308 1
1 967 . 15 1 1 A 83 83 THR C C 83 173.808 173.163 0.645 1
1 968 . 15 1 1 A 83 83 THR CA C 83 61.180 61.166 0.014 1
1 969 . 15 1 1 A 83 83 THR CB C 83 70.020 71.340 -1.320 1
1 971 . 15 1 1 A 83 83 THR N N 83 115.366 113.984 1.382 1
1 972 . 15 1 1 A 84 84 CYS H H 84 9.410 8.773 0.637 1
1 973 . 15 1 1 A 84 84 CYS HA H 84 4.339 4.753 -0.414 1
1 976 . 15 1 1 A 84 84 CYS C C 84 177.986 175.964 2.022 1
1 977 . 15 1 1 A 84 84 CYS CA C 84 60.080 59.765 0.315 1
1 978 . 15 1 1 A 84 84 CYS CB C 84 30.630 28.387 2.243 1
1 979 . 15 1 1 A 84 84 CYS N N 84 131.144 125.359 5.785 1
1 980 . 15 1 1 A 85 85 VAL H H 85 8.461 8.507 -0.046 1
1 981 . 15 1 1 A 85 85 VAL HA H 85 3.918 3.732 0.186 1
1 989 . 15 1 1 A 85 85 VAL C C 85 175.608 177.348 -1.740 1
1 990 . 15 1 1 A 85 85 VAL CA C 85 64.080 65.340 -1.260 1
1 991 . 15 1 1 A 85 85 VAL CB C 85 31.730 31.397 0.333 1
1 994 . 15 1 1 A 85 85 VAL N N 85 126.221 125.544 0.677 1
1 995 . 15 1 1 A 86 86 LYS H H 86 8.924 8.013 0.911 1
1 996 . 15 1 1 A 86 86 LYS HA H 86 4.496 4.149 0.347 1
1 1005 . 15 1 1 A 86 86 LYS C C 86 177.277 177.457 -0.180 1
1 1006 . 15 1 1 A 86 86 LYS CA C 86 58.500 58.596 -0.096 1
1 1007 . 15 1 1 A 86 86 LYS CB C 86 33.780 32.382 1.398 1
1 1011 . 15 1 1 A 86 86 LYS N N 86 123.551 121.807 1.744 1
1 1012 . 15 1 1 A 87 87 CYS H H 87 8.264 7.533 0.731 1
1 1013 . 15 1 1 A 87 87 CYS HA H 87 4.925 4.552 0.373 1
1 1016 . 15 1 1 A 87 87 CYS C C 87 177.211 175.252 1.959 1
1 1017 . 15 1 1 A 87 87 CYS CA C 87 58.980 59.526 -0.546 1
1 1018 . 15 1 1 A 87 87 CYS CB C 87 33.100 29.948 3.152 1
1 1019 . 15 1 1 A 87 87 CYS N N 87 117.502 115.989 1.513 1
1 1020 . 15 1 1 A 88 88 GLY H H 88 7.655 8.413 -0.758 1
1 1021 . 15 1 1 A 88 88 GLY HA2 H 88 4.159 3.928 0.231 1
1 1022 . 15 1 1 A 88 88 GLY HA3 H 88 3.729 3.930 -0.201 1
1 1023 . 15 1 1 A 88 88 GLY C C 88 173.558 173.525 0.033 1
1 1024 . 15 1 1 A 88 88 GLY CA C 88 46.300 46.548 -0.248 1
1 1025 . 15 1 1 A 88 88 GLY N N 88 111.948 110.507 1.441 1
1 1026 . 15 1 1 A 89 89 LYS H H 89 8.721 7.115 1.606 1
1 1027 . 15 1 1 A 89 89 LYS HA H 89 4.315 4.733 -0.418 1
1 1036 . 15 1 1 A 89 89 LYS C C 89 176.659 174.423 2.236 1
1 1037 . 15 1 1 A 89 89 LYS CA C 89 56.860 54.785 2.075 1
1 1038 . 15 1 1 A 89 89 LYS CB C 89 33.540 34.668 -1.128 1
1 1042 . 15 1 1 A 89 89 LYS N N 89 123.614 114.686 8.928 1
1 1043 . 15 1 1 A 90 90 ARG H H 90 8.415 8.464 -0.049 1
1 1044 . 15 1 1 A 90 90 ARG HA H 90 4.299 4.516 -0.217 1
1 1051 . 15 1 1 A 90 90 ARG C C 90 176.041 176.285 -0.244 1
1 1052 . 15 1 1 A 90 90 ARG CA C 90 56.030 56.687 -0.657 1
1 1053 . 15 1 1 A 90 90 ARG CB C 90 29.470 30.863 -1.393 1
1 1056 . 15 1 1 A 90 90 ARG N N 90 121.880 122.148 -0.268 1
1 1057 . 15 1 1 A 91 91 ILE H H 91 8.334 8.481 -0.147 1
1 1058 . 15 1 1 A 91 91 ILE HA H 91 3.668 4.479 -0.811 1
1 1068 . 15 1 1 A 91 91 ILE C C 91 175.003 176.367 -1.364 1
1 1069 . 15 1 1 A 91 91 ILE CA C 91 61.810 60.039 1.771 1
1 1070 . 15 1 1 A 91 91 ILE CB C 91 38.920 38.631 0.289 1
1 1074 . 15 1 1 A 91 91 ILE N N 91 128.410 125.388 3.022 1
1 1075 . 15 1 1 A 92 92 SER H H 92 8.551 8.644 -0.093 1
1 1076 . 15 1 1 A 92 92 SER HA H 92 4.180 4.436 -0.256 1
1 1079 . 15 1 1 A 92 92 SER C C 92 175.108 175.165 -0.057 1
1 1080 . 15 1 1 A 92 92 SER CA C 92 58.460 59.156 -0.696 1
1 1081 . 15 1 1 A 92 92 SER CB C 92 64.180 63.477 0.703 1
1 1082 . 15 1 1 A 92 92 SER N N 92 124.170 120.773 3.397 1
1 1083 . 15 1 1 A 93 93 GLU H H 93 8.912 8.867 0.045 1
1 1084 . 15 1 1 A 93 93 GLU HA H 93 3.939 3.943 -0.004 1
1 1089 . 15 1 1 A 93 93 GLU C C 93 178.144 177.969 0.175 1
1 1090 . 15 1 1 A 93 93 GLU CA C 93 60.080 59.412 0.668 1
1 1091 . 15 1 1 A 93 93 GLU CB C 93 29.960 29.325 0.635 1
1 1093 . 15 1 1 A 93 93 GLU N N 93 123.996 125.244 -1.248 1
1 1094 . 15 1 1 A 94 94 ASP H H 94 8.311 8.262 0.049 1
1 1095 . 15 1 1 A 94 94 ASP HA H 94 4.252 4.480 -0.228 1
1 1098 . 15 1 1 A 94 94 ASP C C 94 178.472 178.296 0.176 1
1 1099 . 15 1 1 A 94 94 ASP CA C 94 57.240 55.476 1.764 1
1 1100 . 15 1 1 A 94 94 ASP CB C 94 40.420 40.450 -0.030 1
1 1101 . 15 1 1 A 94 94 ASP N N 94 116.432 120.001 -3.569 1
1 1102 . 15 1 1 A 95 95 ARG H H 95 7.365 7.957 -0.592 1
1 1103 . 15 1 1 A 95 95 ARG HA H 95 4.067 4.142 -0.075 1
1 1110 . 15 1 1 A 95 95 ARG C C 95 177.237 178.568 -1.331 1
1 1111 . 15 1 1 A 95 95 ARG CA C 95 58.870 58.250 0.620 1
1 1112 . 15 1 1 A 95 95 ARG CB C 95 29.100 29.883 -0.783 1
1 1115 . 15 1 1 A 95 95 ARG N N 95 121.517 120.655 0.862 1
1 1116 . 15 1 1 A 96 96 LEU H H 96 7.831 7.782 0.049 1
1 1117 . 15 1 1 A 96 96 LEU HA H 96 3.735 3.979 -0.244 1
1 1127 . 15 1 1 A 96 96 LEU C C 96 177.855 179.300 -1.445 1
1 1128 . 15 1 1 A 96 96 LEU CA C 96 56.930 56.897 0.033 1
1 1129 . 15 1 1 A 96 96 LEU CB C 96 41.300 40.967 0.333 1
1 1133 . 15 1 1 A 96 96 LEU N N 96 119.073 119.596 -0.523 1
1 1134 . 15 1 1 A 97 97 LYS H H 97 8.098 8.453 -0.355 1
1 1135 . 15 1 1 A 97 97 LYS HA H 97 4.014 4.351 -0.337 1
1 1144 . 15 1 1 A 97 97 LYS C C 97 178.433 178.682 -0.249 1
1 1145 . 15 1 1 A 97 97 LYS CA C 97 59.080 59.058 0.022 1
1 1146 . 15 1 1 A 97 97 LYS CB C 97 32.830 31.946 0.884 1
1 1150 . 15 1 1 A 97 97 LYS N N 97 114.647 118.607 -3.960 1
1 1151 . 15 1 1 A 98 98 ALA H H 98 7.011 7.255 -0.244 1
1 1152 . 15 1 1 A 98 98 ALA HA H 98 4.196 4.269 -0.073 1
1 1156 . 15 1 1 A 98 98 ALA C C 98 178.814 177.874 0.940 1
1 1157 . 15 1 1 A 98 98 ALA CA C 98 54.480 53.846 0.634 1
1 1158 . 15 1 1 A 98 98 ALA CB C 98 19.380 19.468 -0.088 1
1 1159 . 15 1 1 A 98 98 ALA N N 98 119.536 120.618 -1.082 1
1 1160 . 15 1 1 A 99 99 VAL H H 99 8.133 7.675 0.458 1
1 1161 . 15 1 1 A 99 99 VAL HA H 99 4.098 4.163 -0.065 1
1 1169 . 15 1 1 A 99 99 VAL CA C 99 58.260 59.502 -1.242 1
1 1170 . 15 1 1 A 99 99 VAL CB C 99 32.530 32.203 0.327 1
1 1173 . 15 1 1 A 99 99 VAL N N 99 114.735 115.391 -0.656 1
1 1174 . 15 1 1 A 100 100 PRO HA H 100 4.761 4.225 0.536 1
1 1181 . 15 1 1 A 100 100 PRO C C 100 175.437 177.716 -2.279 1
1 1182 . 15 1 1 A 100 100 PRO CA C 100 65.370 64.691 0.679 1
1 1183 . 15 1 1 A 100 100 PRO CB C 100 31.190 32.071 -0.881 1
1 1186 . 15 1 1 A 101 101 TYR H H 101 6.053 7.607 -1.554 1
1 1187 . 15 1 1 A 101 101 TYR HA H 101 4.463 4.568 -0.105 1
1 1194 . 15 1 1 A 101 101 TYR C C 101 175.871 176.149 -0.278 1
1 1195 . 15 1 1 A 101 101 TYR CA C 101 53.920 57.929 -4.009 1
1 1196 . 15 1 1 A 101 101 TYR CB C 101 38.230 38.217 0.013 1
1 1199 . 15 1 1 A 101 101 TYR N N 101 108.211 114.591 -6.380 1
1 1200 . 15 1 1 A 102 102 THR H H 102 7.466 7.332 0.134 1
1 1201 . 15 1 1 A 102 102 THR HA H 102 4.384 4.395 -0.011 1
1 1206 . 15 1 1 A 102 102 THR CA C 102 60.030 59.809 0.221 1
1 1207 . 15 1 1 A 102 102 THR CB C 102 69.600 69.532 0.068 1
1 1209 . 15 1 1 A 102 102 THR N N 102 120.556 115.488 5.068 1
1 1210 . 15 1 1 A 103 103 PRO HA H 103 4.244 4.337 -0.093 1
1 1217 . 15 1 1 A 103 103 PRO C C 103 176.344 175.942 0.402 1
1 1218 . 15 1 1 A 103 103 PRO CA C 103 62.400 63.919 -1.519 1
1 1219 . 15 1 1 A 103 103 PRO CB C 103 32.250 31.377 0.873 1
1 1222 . 15 1 1 A 104 104 PHE H H 104 7.365 7.282 0.083 1
1 1223 . 15 1 1 A 104 104 PHE HA H 104 6.207 5.002 1.205 1
1 1230 . 15 1 1 A 104 104 PHE C C 104 176.133 175.267 0.866 1
1 1231 . 15 1 1 A 104 104 PHE CA C 104 55.220 56.585 -1.365 1
1 1232 . 15 1 1 A 104 104 PHE CB C 104 44.480 42.584 1.896 1
1 1235 . 15 1 1 A 104 104 PHE N N 104 115.933 118.140 -2.207 1
1 1236 . 15 1 1 A 105 105 CYS H H 105 9.248 8.332 0.916 1
1 1237 . 15 1 1 A 105 105 CYS HA H 105 4.638 4.884 -0.246 1
1 1240 . 15 1 1 A 105 105 CYS C C 105 174.254 175.647 -1.393 1
1 1241 . 15 1 1 A 105 105 CYS CA C 105 58.060 56.741 1.319 1
1 1242 . 15 1 1 A 105 105 CYS CB C 105 31.250 29.471 1.779 1
1 1243 . 15 1 1 A 105 105 CYS N N 105 118.999 119.186 -0.187 1
1 1244 . 15 1 1 A 106 106 GLN H H 106 8.865 8.923 -0.058 1
1 1245 . 15 1 1 A 106 106 GLN HA H 106 3.611 3.943 -0.332 1
1 1252 . 15 1 1 A 106 106 GLN C C 106 177.250 177.589 -0.339 1
1 1253 . 15 1 1 A 106 106 GLN CA C 106 59.430 59.253 0.177 1
1 1254 . 15 1 1 A 106 106 GLN CB C 106 28.750 28.441 0.309 1
1 1256 . 15 1 1 A 106 106 GLN N N 106 119.606 121.827 -2.221 1
1 1258 . 15 1 1 A 107 107 GLU H H 107 8.134 8.262 -0.128 1
1 1259 . 15 1 1 A 107 107 GLU HA H 107 3.959 4.042 -0.083 1
1 1264 . 15 1 1 A 107 107 GLU C C 107 179.616 179.138 0.478 1
1 1265 . 15 1 1 A 107 107 GLU CA C 107 60.110 58.961 1.149 1
1 1266 . 15 1 1 A 107 107 GLU CB C 107 29.990 29.929 0.061 1
1 1268 . 15 1 1 A 107 107 GLU N N 107 119.554 119.124 0.430 1
1 1269 . 15 1 1 A 108 108 CYS H H 108 8.681 7.755 0.926 1
1 1270 . 15 1 1 A 108 108 CYS HA H 108 3.783 4.049 -0.266 1
1 1273 . 15 1 1 A 108 108 CYS C C 108 177.868 176.871 0.997 1
1 1274 . 15 1 1 A 108 108 CYS CA C 108 64.110 63.127 0.983 1
1 1275 . 15 1 1 A 108 108 CYS CB C 108 29.270 26.787 2.483 1
1 1276 . 15 1 1 A 108 108 CYS N N 108 123.406 118.721 4.685 1
1 1277 . 15 1 1 A 109 109 ALA H H 109 8.094 8.349 -0.255 1
1 1278 . 15 1 1 A 109 109 ALA HA H 109 3.693 4.132 -0.439 1
1 1282 . 15 1 1 A 109 109 ALA C C 109 178.591 180.188 -1.597 1
1 1283 . 15 1 1 A 109 109 ALA CA C 109 53.710 55.073 -1.363 1
1 1284 . 15 1 1 A 109 109 ALA CB C 109 18.430 18.426 0.004 1
1 1285 . 15 1 1 A 109 109 ALA N N 109 120.579 122.366 -1.787 1
1 1286 . 15 1 1 A 110 110 ALA H H 110 7.402 7.984 -0.582 1
1 1287 . 15 1 1 A 110 110 ALA HA H 110 4.111 4.171 -0.060 1
1 1291 . 15 1 1 A 110 110 ALA C C 110 177.408 179.009 -1.601 1
1 1292 . 15 1 1 A 110 110 ALA CA C 110 53.000 54.442 -1.442 1
1 1293 . 15 1 1 A 110 110 ALA CB C 110 18.710 18.237 0.473 1
1 1294 . 15 1 1 A 110 110 ALA N N 110 118.992 119.686 -0.694 1
1 1295 . 15 1 1 A 111 111 ALA H H 111 7.247 7.540 -0.293 1
1 1296 . 15 1 1 A 111 111 ALA HA H 111 4.300 4.349 -0.049 1
1 1300 . 15 1 1 A 111 111 ALA C C 111 176.488 177.884 -1.396 1
1 1301 . 15 1 1 A 111 111 ALA CA C 111 51.840 52.134 -0.294 1
1 1302 . 15 1 1 A 111 111 ALA CB C 111 19.210 19.620 -0.410 1
1 1303 . 15 1 1 A 111 111 ALA N N 111 120.857 118.917 1.940 1
1 19 . 16 1 1 A 2 2 ALA H H 2 8.460 7.626 0.834 1
1 20 . 16 1 1 A 2 2 ALA HA H 2 4.304 4.263 0.041 1
1 24 . 16 1 1 A 2 2 ALA C C 2 178.183 177.396 0.787 1
1 25 . 16 1 1 A 2 2 ALA CA C 2 52.760 52.697 0.063 1
1 26 . 16 1 1 A 2 2 ALA CB C 2 19.150 19.668 -0.518 1
1 27 . 16 1 1 A 2 2 ALA N N 2 125.375 123.194 2.181 1
1 28 . 16 1 1 A 3 3 GLY H H 3 8.343 8.494 -0.151 1
1 29 . 16 1 1 A 3 3 GLY N N 3 108.577 111.135 -2.558 1
1 30 . 16 1 1 A 5 5 LYS HA H 5 4.355 4.451 -0.096 1
1 39 . 16 1 1 A 5 5 LYS CA C 5 56.170 55.963 0.207 1
1 40 . 16 1 1 A 5 5 LYS CB C 5 33.170 33.086 0.084 1
1 44 . 16 1 1 A 6 6 SER HA H 6 4.429 4.479 -0.050 1
1 47 . 16 1 1 A 6 6 SER CA C 6 58.390 59.547 -1.157 1
1 48 . 16 1 1 A 6 6 SER CB C 6 64.040 63.745 0.295 1
1 49 . 16 1 1 A 7 7 MET HA H 7 4.435 4.231 0.204 1
1 57 . 16 1 1 A 7 7 MET CA C 7 55.610 56.384 -0.774 1
1 58 . 16 1 1 A 7 7 MET CB C 7 33.550 31.408 2.142 1
1 61 . 16 1 1 A 8 8 ASN HA H 8 4.837 4.391 0.446 1
1 66 . 16 1 1 A 8 8 ASN C C 8 175.910 175.090 0.820 1
1 67 . 16 1 1 A 8 8 ASN CA C 8 52.310 54.610 -2.300 1
1 68 . 16 1 1 A 8 8 ASN CB C 8 38.190 36.660 1.530 1
1 70 . 16 1 1 A 9 9 VAL H H 9 8.400 7.398 1.002 1
1 71 . 16 1 1 A 9 9 VAL HA H 9 3.908 3.737 0.171 1
1 79 . 16 1 1 A 9 9 VAL C C 9 176.738 177.987 -1.249 1
1 80 . 16 1 1 A 9 9 VAL CA C 9 65.550 66.969 -1.419 1
1 81 . 16 1 1 A 9 9 VAL CB C 9 31.970 31.611 0.359 1
1 84 . 16 1 1 A 9 9 VAL N N 9 121.216 116.758 4.458 1
1 85 . 16 1 1 A 10 10 GLU H H 10 8.596 8.269 0.327 1
1 86 . 16 1 1 A 10 10 GLU HA H 10 4.077 3.904 0.173 1
1 91 . 16 1 1 A 10 10 GLU C C 10 178.985 178.753 0.232 1
1 92 . 16 1 1 A 10 10 GLU CA C 10 59.390 59.683 -0.293 1
1 93 . 16 1 1 A 10 10 GLU CB C 10 29.000 29.346 -0.346 1
1 95 . 16 1 1 A 10 10 GLU N N 10 121.274 120.731 0.543 1
1 96 . 16 1 1 A 11 11 SER H H 11 7.841 8.042 -0.201 1
1 97 . 16 1 1 A 11 11 SER HA H 11 4.138 4.068 0.070 1
1 100 . 16 1 1 A 11 11 SER C C 11 176.817 176.100 0.717 1
1 101 . 16 1 1 A 11 11 SER CA C 11 60.790 62.338 -1.548 1
1 102 . 16 1 1 A 11 11 SER CB C 11 62.470 63.149 -0.679 1
1 103 . 16 1 1 A 11 11 SER N N 11 115.238 116.737 -1.499 1
1 104 . 16 1 1 A 12 12 TYR H H 12 7.284 7.451 -0.167 1
1 105 . 16 1 1 A 12 12 TYR HA H 12 4.104 4.307 -0.203 1
1 112 . 16 1 1 A 12 12 TYR C C 12 177.132 178.008 -0.876 1
1 113 . 16 1 1 A 12 12 TYR CA C 12 62.060 61.235 0.825 1
1 114 . 16 1 1 A 12 12 TYR CB C 12 38.710 37.704 1.006 1
1 117 . 16 1 1 A 12 12 TYR N N 12 120.370 119.893 0.477 1
1 118 . 16 1 1 A 13 13 GLU H H 13 8.490 8.414 0.076 1
1 119 . 16 1 1 A 13 13 GLU HA H 13 3.432 3.841 -0.409 1
1 124 . 16 1 1 A 13 13 GLU C C 13 177.303 178.617 -1.314 1
1 125 . 16 1 1 A 13 13 GLU CA C 13 60.660 59.488 1.172 1
1 126 . 16 1 1 A 13 13 GLU CB C 13 29.200 28.622 0.578 1
1 128 . 16 1 1 A 13 13 GLU N N 13 120.162 120.712 -0.550 1
1 129 . 16 1 1 A 14 14 LYS H H 14 7.454 7.876 -0.422 1
1 130 . 16 1 1 A 14 14 LYS HA H 14 3.900 4.066 -0.166 1
1 139 . 16 1 1 A 14 14 LYS C C 14 178.249 178.728 -0.479 1
1 140 . 16 1 1 A 14 14 LYS CA C 14 59.620 59.013 0.607 1
1 141 . 16 1 1 A 14 14 LYS CB C 14 32.420 32.265 0.155 1
1 145 . 16 1 1 A 14 14 LYS N N 14 117.838 118.268 -0.430 1
1 146 . 16 1 1 A 15 15 ILE H H 15 7.409 7.611 -0.202 1
1 147 . 16 1 1 A 15 15 ILE HA H 15 3.822 3.967 -0.145 1
1 157 . 16 1 1 A 15 15 ILE C C 15 179.668 177.744 1.924 1
1 158 . 16 1 1 A 15 15 ILE CA C 15 65.030 63.173 1.857 1
1 159 . 16 1 1 A 15 15 ILE CB C 15 38.950 37.656 1.294 1
1 163 . 16 1 1 A 15 15 ILE N N 15 118.597 120.561 -1.964 1
1 164 . 16 1 1 A 16 16 LEU H H 16 8.407 8.083 0.324 1
1 165 . 16 1 1 A 16 16 LEU HA H 16 3.992 3.977 0.015 1
1 175 . 16 1 1 A 16 16 LEU C C 16 178.512 179.160 -0.648 1
1 176 . 16 1 1 A 16 16 LEU CA C 16 58.230 58.240 -0.010 1
1 177 . 16 1 1 A 16 16 LEU CB C 16 42.130 41.260 0.870 1
1 181 . 16 1 1 A 16 16 LEU N N 16 120.642 121.441 -0.799 1
1 182 . 16 1 1 A 17 17 ARG H H 17 8.789 8.000 0.789 1
1 183 . 16 1 1 A 17 17 ARG HA H 17 3.917 4.136 -0.219 1
1 190 . 16 1 1 A 17 17 ARG C C 17 179.602 179.268 0.334 1
1 191 . 16 1 1 A 17 17 ARG CA C 17 60.080 59.335 0.745 1
1 192 . 16 1 1 A 17 17 ARG CB C 17 29.620 29.968 -0.348 1
1 195 . 16 1 1 A 17 17 ARG N N 17 119.196 119.019 0.177 1
1 196 . 16 1 1 A 18 18 ASP H H 18 8.638 8.410 0.228 1
1 197 . 16 1 1 A 18 18 ASP HA H 18 4.418 4.369 0.049 1
1 200 . 16 1 1 A 18 18 ASP C C 18 179.116 179.137 -0.021 1
1 201 . 16 1 1 A 18 18 ASP CA C 18 57.330 57.401 -0.071 1
1 202 . 16 1 1 A 18 18 ASP CB C 18 39.700 40.073 -0.373 1
1 203 . 16 1 1 A 18 18 ASP N N 18 121.383 119.655 1.728 1
1 204 . 16 1 1 A 19 19 ARG H H 19 7.947 8.114 -0.167 1
1 205 . 16 1 1 A 19 19 ARG HA H 19 4.180 4.115 0.065 1
1 212 . 16 1 1 A 19 19 ARG C C 19 177.855 178.517 -0.662 1
1 213 . 16 1 1 A 19 19 ARG CA C 19 57.680 59.283 -1.603 1
1 214 . 16 1 1 A 19 19 ARG CB C 19 29.540 29.743 -0.203 1
1 217 . 16 1 1 A 19 19 ARG N N 19 121.506 119.359 2.147 1
1 218 . 16 1 1 A 20 20 GLN H H 20 8.691 8.072 0.619 1
1 219 . 16 1 1 A 20 20 GLN HA H 20 3.589 4.097 -0.508 1
1 226 . 16 1 1 A 20 20 GLN C C 20 176.896 178.209 -1.313 1
1 227 . 16 1 1 A 20 20 GLN CA C 20 59.620 58.159 1.461 1
1 228 . 16 1 1 A 20 20 GLN CB C 20 30.020 28.414 1.606 1
1 230 . 16 1 1 A 20 20 GLN N N 20 120.162 118.263 1.899 1
1 232 . 16 1 1 A 21 21 ARG H H 21 7.959 8.144 -0.185 1
1 233 . 16 1 1 A 21 21 ARG HA H 21 3.973 4.249 -0.276 1
1 240 . 16 1 1 A 21 21 ARG C C 21 178.985 179.031 -0.046 1
1 241 . 16 1 1 A 21 21 ARG CA C 21 59.800 59.573 0.227 1
1 242 . 16 1 1 A 21 21 ARG CB C 21 29.980 30.154 -0.174 1
1 245 . 16 1 1 A 21 21 ARG N N 21 117.219 119.365 -2.146 1
1 246 . 16 1 1 A 22 22 GLU H H 22 7.700 7.995 -0.295 1
1 247 . 16 1 1 A 22 22 GLU HA H 22 4.076 4.143 -0.067 1
1 252 . 16 1 1 A 22 22 GLU C C 22 179.090 178.948 0.142 1
1 253 . 16 1 1 A 22 22 GLU CA C 22 58.950 59.216 -0.266 1
1 254 . 16 1 1 A 22 22 GLU CB C 22 29.580 29.036 0.544 1
1 256 . 16 1 1 A 22 22 GLU N N 22 119.703 118.456 1.247 1
1 257 . 16 1 1 A 23 23 LEU H H 23 8.264 7.802 0.462 1
1 258 . 16 1 1 A 23 23 LEU HA H 23 3.979 4.047 -0.068 1
1 268 . 16 1 1 A 23 23 LEU C C 23 179.234 178.713 0.521 1
1 269 . 16 1 1 A 23 23 LEU CA C 23 57.990 57.865 0.125 1
1 270 . 16 1 1 A 23 23 LEU CB C 23 42.370 41.966 0.404 1
1 274 . 16 1 1 A 23 23 LEU N N 23 119.988 121.598 -1.610 1
1 275 . 16 1 1 A 24 24 TYR H H 24 8.688 8.337 0.351 1
1 276 . 16 1 1 A 24 24 TYR HA H 24 4.084 4.360 -0.276 1
1 283 . 16 1 1 A 24 24 TYR C C 24 178.630 179.159 -0.529 1
1 284 . 16 1 1 A 24 24 TYR CA C 24 61.670 61.154 0.516 1
1 285 . 16 1 1 A 24 24 TYR CB C 24 37.780 37.940 -0.160 1
1 288 . 16 1 1 A 24 24 TYR N N 24 119.101 118.654 0.447 1
1 289 . 16 1 1 A 25 25 ARG H H 25 7.945 8.315 -0.370 1
1 290 . 16 1 1 A 25 25 ARG HA H 25 4.043 4.177 -0.134 1
1 297 . 16 1 1 A 25 25 ARG C C 25 178.683 178.630 0.053 1
1 298 . 16 1 1 A 25 25 ARG CA C 25 59.460 58.703 0.757 1
1 299 . 16 1 1 A 25 25 ARG CB C 25 30.160 29.999 0.161 1
1 302 . 16 1 1 A 25 25 ARG N N 25 118.297 118.185 0.112 1
1 303 . 16 1 1 A 26 26 ARG H H 26 7.726 7.701 0.025 1
1 304 . 16 1 1 A 26 26 ARG HA H 26 4.067 4.111 -0.044 1
1 311 . 16 1 1 A 26 26 ARG C C 26 177.986 178.905 -0.919 1
1 312 . 16 1 1 A 26 26 ARG CA C 26 58.300 58.968 -0.668 1
1 313 . 16 1 1 A 26 26 ARG CB C 26 30.670 30.002 0.668 1
1 316 . 16 1 1 A 26 26 ARG N N 26 118.100 119.887 -1.787 1
1 317 . 16 1 1 A 27 27 LEU H H 27 7.971 7.845 0.126 1
1 318 . 16 1 1 A 27 27 LEU HA H 27 4.095 3.998 0.097 1
1 328 . 16 1 1 A 27 27 LEU C C 27 177.461 177.701 -0.240 1
1 329 . 16 1 1 A 27 27 LEU CA C 27 56.260 57.365 -1.105 1
1 330 . 16 1 1 A 27 27 LEU CB C 27 42.260 41.309 0.951 1
1 334 . 16 1 1 A 27 27 LEU N N 27 118.633 117.167 1.466 1
1 335 . 16 1 1 A 28 28 HIS H H 28 7.863 7.985 -0.122 1
1 336 . 16 1 1 A 28 28 HIS HA H 28 4.482 4.819 -0.337 1
1 341 . 16 1 1 A 28 28 HIS C C 28 174.741 176.229 -1.488 1
1 342 . 16 1 1 A 28 28 HIS CA C 28 56.310 56.100 0.210 1
1 343 . 16 1 1 A 28 28 HIS CB C 28 29.300 29.520 -0.220 1
1 346 . 16 1 1 A 28 28 HIS N N 28 116.767 117.408 -0.641 1
1 347 . 16 1 1 A 29 29 LYS H H 29 7.893 8.361 -0.468 1
1 348 . 16 1 1 A 29 29 LYS HA H 29 4.172 4.105 0.067 1
1 357 . 16 1 1 A 29 29 LYS C C 29 176.357 178.160 -1.803 1
1 358 . 16 1 1 A 29 29 LYS CA C 29 56.830 58.791 -1.961 1
1 359 . 16 1 1 A 29 29 LYS CB C 29 32.000 31.941 0.059 1
1 363 . 16 1 1 A 29 29 LYS N N 29 120.331 118.737 1.594 1
1 364 . 16 1 1 A 30 30 ILE H H 30 7.995 7.729 0.266 1
1 365 . 16 1 1 A 30 30 ILE HA H 30 4.085 3.810 0.275 1
1 375 . 16 1 1 A 30 30 ILE C C 30 176.344 177.421 -1.077 1
1 376 . 16 1 1 A 30 30 ILE CA C 30 61.440 64.450 -3.010 1
1 377 . 16 1 1 A 30 30 ILE CB C 30 39.020 37.654 1.366 1
1 381 . 16 1 1 A 30 30 ILE N N 30 120.440 116.715 3.725 1
1 382 . 16 1 1 A 31 31 GLU H H 31 8.367 8.272 0.095 1
1 383 . 16 1 1 A 31 31 GLU HA H 31 4.159 4.357 -0.198 1
1 388 . 16 1 1 A 31 31 GLU C C 31 176.265 176.738 -0.473 1
1 389 . 16 1 1 A 31 31 GLU CA C 31 56.890 57.179 -0.289 1
1 390 . 16 1 1 A 31 31 GLU CB C 31 30.050 30.101 -0.051 1
1 392 . 16 1 1 A 31 31 GLU N N 31 124.043 120.525 3.518 1
1 393 . 16 1 1 A 32 32 ALA H H 32 8.138 8.086 0.052 1
1 394 . 16 1 1 A 32 32 ALA HA H 32 4.175 4.626 -0.451 1
1 398 . 16 1 1 A 32 32 ALA C C 32 177.198 176.072 1.126 1
1 399 . 16 1 1 A 32 32 ALA CA C 32 52.620 50.733 1.887 1
1 400 . 16 1 1 A 32 32 ALA CB C 32 19.490 19.053 0.437 1
1 401 . 16 1 1 A 32 32 ALA N N 32 124.170 122.363 1.807 1
1 402 . 16 1 1 A 33 33 ASP H H 33 8.157 8.169 -0.012 1
1 403 . 16 1 1 A 33 33 ASP HA H 33 4.467 4.628 -0.161 1
1 406 . 16 1 1 A 33 33 ASP C C 33 175.910 174.745 1.165 1
1 407 . 16 1 1 A 33 33 ASP CA C 33 54.500 53.636 0.864 1
1 408 . 16 1 1 A 33 33 ASP CB C 33 40.750 39.489 1.261 1
1 409 . 16 1 1 A 33 33 ASP N N 33 118.904 120.752 -1.848 1
1 410 . 16 1 1 A 34 34 PHE H H 34 7.884 8.519 -0.635 1
1 411 . 16 1 1 A 34 34 PHE HA H 34 4.514 4.985 -0.471 1
1 418 . 16 1 1 A 34 34 PHE C C 34 175.319 175.576 -0.257 1
1 419 . 16 1 1 A 34 34 PHE CA C 34 57.610 55.670 1.940 1
1 420 . 16 1 1 A 34 34 PHE CB C 34 39.840 38.903 0.937 1
1 423 . 16 1 1 A 34 34 PHE N N 34 119.439 124.972 -5.533 1
1 424 . 16 1 1 A 35 35 GLU H H 35 8.084 8.490 -0.406 1
1 425 . 16 1 1 A 35 35 GLU HA H 35 4.190 4.499 -0.309 1
1 430 . 16 1 1 A 35 35 GLU C C 35 175.634 176.773 -1.139 1
1 431 . 16 1 1 A 35 35 GLU CA C 35 56.140 56.661 -0.521 1
1 432 . 16 1 1 A 35 35 GLU CB C 35 30.810 29.892 0.918 1
1 434 . 16 1 1 A 35 35 GLU N N 35 122.340 122.320 0.020 1
1 435 . 16 1 1 A 36 36 GLU H H 36 8.172 7.555 0.617 1
1 436 . 16 1 1 A 36 36 GLU HA H 36 4.442 4.490 -0.048 1
1 441 . 16 1 1 A 36 36 GLU CA C 36 54.300 54.522 -0.222 1
1 442 . 16 1 1 A 36 36 GLU CB C 36 29.490 29.689 -0.199 1
1 444 . 16 1 1 A 36 36 GLU N N 36 123.278 121.099 2.179 1
1 445 . 16 1 1 A 37 37 PRO HA H 37 4.339 4.393 -0.054 1
1 452 . 16 1 1 A 37 37 PRO C C 37 175.818 176.948 -1.130 1
1 453 . 16 1 1 A 37 37 PRO CA C 37 62.800 63.600 -0.800 1
1 454 . 16 1 1 A 37 37 PRO CB C 37 31.900 31.332 0.568 1
1 457 . 16 1 1 A 38 38 ARG H H 38 8.412 8.639 -0.227 1
1 458 . 16 1 1 A 38 38 ARG HA H 38 4.255 3.911 0.344 1
1 465 . 16 1 1 A 38 38 ARG C C 38 175.818 174.858 0.960 1
1 466 . 16 1 1 A 38 38 ARG CA C 38 55.350 56.592 -1.242 1
1 467 . 16 1 1 A 38 38 ARG CB C 38 31.010 28.983 2.027 1
1 470 . 16 1 1 A 38 38 ARG N N 38 121.791 117.517 4.274 1
1 471 . 16 1 1 A 39 39 ASN H H 39 8.624 8.052 0.572 1
1 472 . 16 1 1 A 39 39 ASN HA H 39 4.906 4.862 0.044 1
1 477 . 16 1 1 A 39 39 ASN CA C 39 51.100 50.754 0.346 1
1 478 . 16 1 1 A 39 39 ASN CB C 39 38.560 39.621 -1.061 1
1 479 . 16 1 1 A 39 39 ASN N N 39 121.594 120.890 0.704 1
1 481 . 16 1 1 A 40 40 PRO HA H 40 4.310 4.444 -0.134 1
1 488 . 16 1 1 A 40 40 PRO C C 40 176.896 175.645 1.251 1
1 489 . 16 1 1 A 40 40 PRO CA C 40 63.970 63.937 0.033 1
1 490 . 16 1 1 A 40 40 PRO CB C 40 32.210 31.507 0.703 1
1 493 . 16 1 1 A 41 41 ASP H H 41 8.219 7.750 0.469 1
1 494 . 16 1 1 A 41 41 ASP HA H 41 4.516 4.965 -0.449 1
1 497 . 16 1 1 A 41 41 ASP C C 41 176.252 173.749 2.503 1
1 498 . 16 1 1 A 41 41 ASP CA C 41 54.740 52.945 1.795 1
1 499 . 16 1 1 A 41 41 ASP CB C 41 41.100 42.347 -1.247 1
1 500 . 16 1 1 A 41 41 ASP N N 41 118.818 117.928 0.890 1
1 501 . 16 1 1 A 42 42 ASP H H 42 7.949 8.466 -0.517 1
1 502 . 16 1 1 A 42 42 ASP HA H 42 4.516 4.675 -0.159 1
1 505 . 16 1 1 A 42 42 ASP C C 42 176.567 175.558 1.009 1
1 506 . 16 1 1 A 42 42 ASP CA C 42 54.910 51.654 3.256 1
1 507 . 16 1 1 A 42 42 ASP CB C 42 41.100 41.425 -0.325 1
1 508 . 16 1 1 A 42 42 ASP N N 42 120.104 125.725 -5.621 1
1 509 . 16 1 1 A 43 43 GLU H H 43 8.179 8.706 -0.527 1
1 510 . 16 1 1 A 43 43 GLU HA H 43 4.153 3.897 0.256 1
1 515 . 16 1 1 A 43 43 GLU C C 43 176.488 175.344 1.144 1
1 516 . 16 1 1 A 43 43 GLU CA C 43 57.070 57.588 -0.518 1
1 517 . 16 1 1 A 43 43 GLU CB C 43 30.430 29.017 1.413 1
1 519 . 16 1 1 A 43 43 GLU N N 43 121.153 119.166 1.987 1
1 520 . 16 1 1 A 44 44 ASP H H 44 8.325 7.786 0.539 1
1 521 . 16 1 1 A 44 44 ASP HA H 44 4.517 5.091 -0.574 1
1 524 . 16 1 1 A 44 44 ASP C C 44 176.462 175.298 1.164 1
1 525 . 16 1 1 A 44 44 ASP CA C 44 54.360 53.133 1.227 1
1 526 . 16 1 1 A 44 44 ASP CB C 44 41.030 42.632 -1.602 1
1 527 . 16 1 1 A 44 44 ASP N N 44 121.100 118.726 2.374 1
1 528 . 16 1 1 A 45 45 ARG H H 45 8.106 8.898 -0.792 1
1 529 . 16 1 1 A 45 45 ARG HA H 45 4.252 4.679 -0.427 1
1 536 . 16 1 1 A 45 45 ARG C C 45 176.475 175.662 0.813 1
1 537 . 16 1 1 A 45 45 ARG CA C 45 56.000 55.182 0.818 1
1 538 . 16 1 1 A 45 45 ARG CB C 45 30.360 30.257 0.103 1
1 541 . 16 1 1 A 45 45 ARG N N 45 121.258 125.699 -4.441 1
1 542 . 16 1 1 A 46 46 ALA H H 46 8.235 7.467 0.768 1
1 543 . 16 1 1 A 46 46 ALA HA H 46 4.220 4.356 -0.136 1
1 547 . 16 1 1 A 46 46 ALA C C 46 178.196 176.621 1.575 1
1 548 . 16 1 1 A 46 46 ALA CA C 46 53.070 51.915 1.155 1
1 549 . 16 1 1 A 46 46 ALA CB C 46 18.840 17.397 1.443 1
1 550 . 16 1 1 A 46 46 ALA N N 46 124.506 124.391 0.115 1
1 551 . 16 1 1 A 47 47 SER H H 47 8.150 8.473 -0.323 1
1 552 . 16 1 1 A 47 47 SER HA H 47 4.331 4.678 -0.347 1
1 555 . 16 1 1 A 47 47 SER C C 47 174.727 173.324 1.403 1
1 556 . 16 1 1 A 47 47 SER CA C 47 58.820 56.814 2.006 1
1 557 . 16 1 1 A 47 47 SER CB C 47 63.520 65.597 -2.077 1
1 558 . 16 1 1 A 47 47 SER N N 47 114.398 117.721 -3.323 1
1 559 . 16 1 1 A 48 48 GLU H H 48 8.235 8.649 -0.414 1
1 560 . 16 1 1 A 48 48 GLU HA H 48 4.244 3.904 0.340 1
1 565 . 16 1 1 A 48 48 GLU C C 48 176.396 176.525 -0.129 1
1 566 . 16 1 1 A 48 48 GLU CA C 48 56.550 57.595 -1.045 1
1 567 . 16 1 1 A 48 48 GLU CB C 48 30.330 29.574 0.756 1
1 569 . 16 1 1 A 48 48 GLU N N 48 122.340 125.224 -2.884 1
1 570 . 16 1 1 A 49 49 ARG H H 49 8.174 8.077 0.097 1
1 571 . 16 1 1 A 49 49 ARG HA H 49 4.339 4.069 0.270 1
1 578 . 16 1 1 A 49 49 ARG C C 49 176.344 178.147 -1.803 1
1 579 . 16 1 1 A 49 49 ARG CA C 49 55.900 58.310 -2.410 1
1 580 . 16 1 1 A 49 49 ARG CB C 49 30.980 30.083 0.897 1
1 583 . 16 1 1 A 49 49 ARG N N 49 121.431 120.233 1.198 1
1 584 . 16 1 1 A 50 50 SER H H 50 8.389 7.835 0.554 1
1 585 . 16 1 1 A 50 50 SER HA H 50 4.392 4.378 0.014 1
1 588 . 16 1 1 A 50 50 SER C C 50 174.517 174.785 -0.268 1
1 589 . 16 1 1 A 50 50 SER CA C 50 58.230 61.592 -3.362 1
1 590 . 16 1 1 A 50 50 SER CB C 50 64.010 63.621 0.389 1
1 591 . 16 1 1 A 50 50 SER N N 50 117.321 115.635 1.686 1
1 592 . 16 1 1 A 51 51 ASN H H 51 8.488 8.210 0.278 1
1 593 . 16 1 1 A 51 51 ASN HA H 51 4.657 4.503 0.154 1
1 598 . 16 1 1 A 51 51 ASN C C 51 175.122 175.428 -0.306 1
1 599 . 16 1 1 A 51 51 ASN CA C 51 53.780 54.534 -0.754 1
1 600 . 16 1 1 A 51 51 ASN CB C 51 38.770 38.458 0.312 1
1 601 . 16 1 1 A 51 51 ASN N N 51 120.903 118.566 2.337 1
1 603 . 16 1 1 A 52 52 ASP H H 52 8.231 7.910 0.321 1
1 604 . 16 1 1 A 52 52 ASP HA H 52 4.517 4.484 0.033 1
1 607 . 16 1 1 A 52 52 ASP C C 52 176.291 176.578 -0.287 1
1 608 . 16 1 1 A 52 52 ASP CA C 52 54.500 56.670 -2.170 1
1 609 . 16 1 1 A 52 52 ASP CB C 52 41.170 41.284 -0.114 1
1 610 . 16 1 1 A 52 52 ASP N N 52 120.236 119.901 0.335 1
1 611 . 16 1 1 A 53 53 GLU H H 53 8.139 7.607 0.532 1
1 612 . 16 1 1 A 53 53 GLU HA H 53 4.194 4.447 -0.253 1
1 617 . 16 1 1 A 53 53 GLU C C 53 176.606 176.881 -0.275 1
1 618 . 16 1 1 A 53 53 GLU CA C 53 56.930 56.322 0.608 1
1 619 . 16 1 1 A 53 53 GLU CB C 53 30.500 30.412 0.088 1
1 621 . 16 1 1 A 53 53 GLU N N 53 120.655 118.844 1.811 1
1 622 . 16 1 1 A 54 54 VAL H H 54 8.061 8.906 -0.845 1
1 623 . 16 1 1 A 54 54 VAL HA H 54 3.978 3.902 0.076 1
1 631 . 16 1 1 A 54 54 VAL C C 54 176.278 176.337 -0.059 1
1 632 . 16 1 1 A 54 54 VAL CA C 54 62.880 65.571 -2.691 1
1 633 . 16 1 1 A 54 54 VAL CB C 54 32.660 32.314 0.346 1
1 636 . 16 1 1 A 54 54 VAL N N 54 121.320 123.025 -1.705 1
1 637 . 16 1 1 A 55 55 LEU H H 55 8.209 8.030 0.179 1
1 638 . 16 1 1 A 55 55 LEU HA H 55 4.273 4.278 -0.005 1
1 648 . 16 1 1 A 55 55 LEU C C 55 177.355 176.557 0.798 1
1 649 . 16 1 1 A 55 55 LEU CA C 55 55.290 55.743 -0.453 1
1 650 . 16 1 1 A 55 55 LEU CB C 55 42.190 40.923 1.267 1
1 654 . 16 1 1 A 55 55 LEU N N 55 125.139 121.988 3.151 1
1 655 . 16 1 1 A 56 56 ASP H H 56 8.204 8.871 -0.667 1
1 656 . 16 1 1 A 56 56 ASP HA H 56 4.516 4.577 -0.061 1
1 659 . 16 1 1 A 56 56 ASP C C 56 176.633 176.732 -0.099 1
1 660 . 16 1 1 A 56 56 ASP CA C 56 54.360 55.657 -1.297 1
1 661 . 16 1 1 A 56 56 ASP CB C 56 41.070 41.184 -0.114 1
1 662 . 16 1 1 A 56 56 ASP N N 56 121.154 126.182 -5.028 1
1 663 . 16 1 1 A 57 57 GLU H H 57 8.316 7.941 0.375 1
1 664 . 16 1 1 A 57 57 GLU HA H 57 4.164 4.378 -0.214 1
1 669 . 16 1 1 A 57 57 GLU C C 57 177.158 176.804 0.354 1
1 670 . 16 1 1 A 57 57 GLU CA C 57 57.650 56.477 1.173 1
1 671 . 16 1 1 A 57 57 GLU CB C 57 30.020 30.006 0.014 1
1 673 . 16 1 1 A 57 57 GLU N N 57 120.771 117.435 3.336 1
1 674 . 16 1 1 A 58 58 LEU H H 58 8.204 7.338 0.866 1
1 675 . 16 1 1 A 58 58 LEU HA H 58 4.231 4.291 -0.060 1
1 685 . 16 1 1 A 58 58 LEU C C 58 178.538 177.308 1.230 1
1 686 . 16 1 1 A 58 58 LEU CA C 58 55.690 54.296 1.394 1
1 687 . 16 1 1 A 58 58 LEU CB C 58 42.230 42.271 -0.041 1
1 691 . 16 1 1 A 58 58 LEU N N 58 120.716 121.587 -0.871 1
1 692 . 16 1 1 A 59 59 GLY H H 59 8.212 8.581 -0.369 1
1 693 . 16 1 1 A 59 59 GLY HA2 H 59 3.917 4.039 -0.122 1
1 694 . 16 1 1 A 59 59 GLY HA3 H 59 3.917 4.046 -0.129 1
1 695 . 16 1 1 A 59 59 GLY C C 59 174.294 174.875 -0.581 1
1 696 . 16 1 1 A 59 59 GLY CA C 59 45.550 45.157 0.393 1
1 697 . 16 1 1 A 59 59 GLY N N 59 108.670 108.445 0.225 1
1 698 . 16 1 1 A 60 60 GLN H H 60 8.310 8.550 -0.240 1
1 699 . 16 1 1 A 60 60 GLN HA H 60 4.079 3.788 0.291 1
1 706 . 16 1 1 A 60 60 GLN C C 60 177.171 177.712 -0.541 1
1 707 . 16 1 1 A 60 60 GLN CA C 60 57.590 58.764 -1.174 1
1 708 . 16 1 1 A 60 60 GLN CB C 60 28.960 28.503 0.457 1
1 710 . 16 1 1 A 60 60 GLN N N 60 120.662 121.998 -1.336 1
1 712 . 16 1 1 A 61 61 VAL H H 61 8.136 8.076 0.060 1
1 713 . 16 1 1 A 61 61 VAL HA H 61 3.971 3.668 0.303 1
1 721 . 16 1 1 A 61 61 VAL C C 61 178.262 178.462 -0.200 1
1 722 . 16 1 1 A 61 61 VAL CA C 61 64.420 66.352 -1.932 1
1 723 . 16 1 1 A 61 61 VAL CB C 61 32.110 31.394 0.716 1
1 726 . 16 1 1 A 61 61 VAL N N 61 119.154 119.931 -0.777 1
1 727 . 16 1 1 A 62 62 GLY H H 62 8.183 8.403 -0.220 1
1 728 . 16 1 1 A 62 62 GLY HA2 H 62 3.966 3.702 0.264 1
1 729 . 16 1 1 A 62 62 GLY HA3 H 62 3.783 3.709 0.074 1
1 730 . 16 1 1 A 62 62 GLY C C 62 174.872 175.841 -0.969 1
1 731 . 16 1 1 A 62 62 GLY CA C 62 46.780 47.259 -0.479 1
1 732 . 16 1 1 A 62 62 GLY N N 62 110.813 107.430 3.383 1
1 733 . 16 1 1 A 63 63 GLN H H 63 8.235 7.831 0.404 1
1 734 . 16 1 1 A 63 63 GLN HA H 63 3.966 3.955 0.011 1
1 741 . 16 1 1 A 63 63 GLN C C 63 178.170 177.852 0.318 1
1 742 . 16 1 1 A 63 63 GLN CA C 63 58.990 58.721 0.269 1
1 743 . 16 1 1 A 63 63 GLN CB C 63 28.500 28.322 0.178 1
1 745 . 16 1 1 A 63 63 GLN N N 63 120.667 121.790 -1.123 1
1 747 . 16 1 1 A 64 64 ASP H H 64 8.386 7.992 0.394 1
1 748 . 16 1 1 A 64 64 ASP HA H 64 4.347 4.338 0.009 1
1 751 . 16 1 1 A 64 64 ASP C C 64 178.669 178.430 0.239 1
1 752 . 16 1 1 A 64 64 ASP CA C 64 56.860 57.117 -0.257 1
1 753 . 16 1 1 A 64 64 ASP CB C 64 39.970 40.809 -0.839 1
1 754 . 16 1 1 A 64 64 ASP N N 64 120.058 120.199 -0.141 1
1 755 . 16 1 1 A 65 65 GLU H H 65 7.992 7.899 0.093 1
1 756 . 16 1 1 A 65 65 GLU HA H 65 3.542 4.110 -0.568 1
1 761 . 16 1 1 A 65 65 GLU C C 65 177.842 178.590 -0.748 1
1 762 . 16 1 1 A 65 65 GLU CA C 65 59.560 58.771 0.789 1
1 763 . 16 1 1 A 65 65 GLU CB C 65 29.100 29.446 -0.346 1
1 765 . 16 1 1 A 65 65 GLU N N 65 123.846 119.693 4.153 1
1 766 . 16 1 1 A 66 66 LEU H H 66 8.100 7.787 0.313 1
1 767 . 16 1 1 A 66 66 LEU HA H 66 3.783 3.895 -0.112 1
1 777 . 16 1 1 A 66 66 LEU C C 66 178.893 178.590 0.303 1
1 778 . 16 1 1 A 66 66 LEU CA C 66 58.610 57.750 0.860 1
1 779 . 16 1 1 A 66 66 LEU CB C 66 41.510 41.558 -0.048 1
1 783 . 16 1 1 A 66 66 LEU N N 66 119.444 121.387 -1.943 1
1 784 . 16 1 1 A 67 67 ARG H H 67 7.870 8.256 -0.386 1
1 785 . 16 1 1 A 67 67 ARG HA H 67 4.095 3.873 0.222 1
1 792 . 16 1 1 A 67 67 ARG C C 67 179.484 178.163 1.321 1
1 793 . 16 1 1 A 67 67 ARG CA C 67 59.490 59.647 -0.157 1
1 794 . 16 1 1 A 67 67 ARG CB C 67 30.230 30.162 0.068 1
1 797 . 16 1 1 A 67 67 ARG N N 67 118.088 119.765 -1.677 1
1 798 . 16 1 1 A 68 68 ALA H H 68 7.820 7.786 0.034 1
1 799 . 16 1 1 A 68 68 ALA HA H 68 4.188 4.107 0.081 1
1 803 . 16 1 1 A 68 68 ALA C C 68 181.626 180.183 1.443 1
1 804 . 16 1 1 A 68 68 ALA CA C 68 54.840 55.132 -0.292 1
1 805 . 16 1 1 A 68 68 ALA CB C 68 18.400 18.694 -0.294 1
1 806 . 16 1 1 A 68 68 ALA N N 68 123.318 121.168 2.150 1
1 807 . 16 1 1 A 69 69 ILE H H 69 8.643 7.702 0.941 1
1 808 . 16 1 1 A 69 69 ILE HA H 69 3.539 3.746 -0.207 1
1 818 . 16 1 1 A 69 69 ILE C C 69 177.290 177.587 -0.297 1
1 819 . 16 1 1 A 69 69 ILE CA C 69 66.370 65.441 0.929 1
1 820 . 16 1 1 A 69 69 ILE CB C 69 38.090 38.050 0.040 1
1 824 . 16 1 1 A 69 69 ILE N N 69 122.954 119.037 3.917 1
1 825 . 16 1 1 A 70 70 ASP H H 70 8.415 8.400 0.015 1
1 826 . 16 1 1 A 70 70 ASP HA H 70 4.336 4.453 -0.117 1
1 829 . 16 1 1 A 70 70 ASP C C 70 179.786 178.686 1.100 1
1 830 . 16 1 1 A 70 70 ASP CA C 70 58.130 57.006 1.124 1
1 831 . 16 1 1 A 70 70 ASP CB C 70 40.310 40.546 -0.236 1
1 832 . 16 1 1 A 70 70 ASP N N 70 121.571 119.675 1.896 1
1 833 . 16 1 1 A 71 71 ALA H H 71 7.869 8.085 -0.216 1
1 834 . 16 1 1 A 71 71 ALA HA H 71 4.215 4.170 0.045 1
1 838 . 16 1 1 A 71 71 ALA C C 71 180.246 179.555 0.691 1
1 839 . 16 1 1 A 71 71 ALA CA C 71 54.500 54.737 -0.237 1
1 840 . 16 1 1 A 71 71 ALA CB C 71 17.680 18.538 -0.858 1
1 841 . 16 1 1 A 71 71 ALA N N 71 121.459 122.914 -1.455 1
1 842 . 16 1 1 A 72 72 ALA H H 72 8.263 7.797 0.466 1
1 843 . 16 1 1 A 72 72 ALA HA H 72 4.045 4.209 -0.164 1
1 847 . 16 1 1 A 72 72 ALA C C 72 179.668 180.104 -0.436 1
1 848 . 16 1 1 A 72 72 ALA CA C 72 55.560 55.064 0.496 1
1 849 . 16 1 1 A 72 72 ALA CB C 72 19.870 18.268 1.602 1
1 850 . 16 1 1 A 72 72 ALA N N 72 123.378 120.957 2.421 1
1 851 . 16 1 1 A 73 73 LEU H H 73 8.790 8.274 0.516 1
1 852 . 16 1 1 A 73 73 LEU HA H 73 3.920 3.959 -0.039 1
1 862 . 16 1 1 A 73 73 LEU C C 73 180.286 179.249 1.037 1
1 863 . 16 1 1 A 73 73 LEU CA C 73 58.130 58.124 0.006 1
1 864 . 16 1 1 A 73 73 LEU CB C 73 41.200 40.904 0.296 1
1 868 . 16 1 1 A 73 73 LEU N N 73 119.015 118.779 0.236 1
1 869 . 16 1 1 A 74 74 ALA H H 74 7.931 8.326 -0.395 1
1 870 . 16 1 1 A 74 74 ALA HA H 74 4.273 4.018 0.255 1
1 874 . 16 1 1 A 74 74 ALA C C 74 180.811 179.512 1.299 1
1 875 . 16 1 1 A 74 74 ALA CA C 74 54.960 55.480 -0.520 1
1 876 . 16 1 1 A 74 74 ALA CB C 74 17.690 18.464 -0.774 1
1 877 . 16 1 1 A 74 74 ALA N N 74 124.135 122.372 1.763 1
1 878 . 16 1 1 A 75 75 ARG H H 75 7.898 7.621 0.277 1
1 879 . 16 1 1 A 75 75 ARG HA H 75 4.138 4.110 0.028 1
1 886 . 16 1 1 A 75 75 ARG C C 75 179.721 178.854 0.867 1
1 887 . 16 1 1 A 75 75 ARG CA C 75 60.170 58.621 1.549 1
1 888 . 16 1 1 A 75 75 ARG CB C 75 29.970 29.907 0.063 1
1 891 . 16 1 1 A 75 75 ARG N N 75 120.143 117.360 2.783 1
1 892 . 16 1 1 A 76 76 ILE H H 76 8.061 7.872 0.189 1
1 893 . 16 1 1 A 76 76 ILE HA H 76 3.697 3.750 -0.053 1
1 903 . 16 1 1 A 76 76 ILE C C 76 179.392 177.751 1.641 1
1 904 . 16 1 1 A 76 76 ILE CA C 76 66.060 65.648 0.412 1
1 905 . 16 1 1 A 76 76 ILE CB C 76 37.240 37.828 -0.588 1
1 909 . 16 1 1 A 76 76 ILE N N 76 121.537 121.179 0.358 1
1 910 . 16 1 1 A 77 77 ALA H H 77 7.735 8.364 -0.629 1
1 911 . 16 1 1 A 77 77 ALA HA H 77 4.132 4.117 0.015 1
1 915 . 16 1 1 A 77 77 ALA C C 77 179.326 180.391 -1.065 1
1 916 . 16 1 1 A 77 77 ALA CA C 77 54.910 55.286 -0.376 1
1 917 . 16 1 1 A 77 77 ALA CB C 77 17.950 18.093 -0.143 1
1 918 . 16 1 1 A 77 77 ALA N N 77 122.664 122.897 -0.233 1
1 919 . 16 1 1 A 78 78 SER H H 78 7.999 7.619 0.380 1
1 920 . 16 1 1 A 78 78 SER HA H 78 4.472 4.544 -0.072 1
1 923 . 16 1 1 A 78 78 SER C C 78 174.675 174.789 -0.114 1
1 924 . 16 1 1 A 78 78 SER CA C 78 59.260 58.318 0.942 1
1 925 . 16 1 1 A 78 78 SER CB C 78 64.070 63.675 0.395 1
1 926 . 16 1 1 A 78 78 SER N N 78 111.061 110.926 0.135 1
1 927 . 16 1 1 A 79 79 GLY H H 79 7.844 7.710 0.134 1
1 928 . 16 1 1 A 79 79 GLY HA2 H 79 4.233 3.955 0.278 1
1 929 . 16 1 1 A 79 79 GLY HA3 H 79 4.087 3.970 0.117 1
1 930 . 16 1 1 A 79 79 GLY C C 79 175.687 174.040 1.647 1
1 931 . 16 1 1 A 79 79 GLY CA C 79 46.470 45.911 0.559 1
1 932 . 16 1 1 A 79 79 GLY N N 79 109.909 109.206 0.703 1
1 933 . 16 1 1 A 80 80 THR H H 80 8.408 8.014 0.394 1
1 934 . 16 1 1 A 80 80 THR HA H 80 4.504 4.590 -0.086 1
1 939 . 16 1 1 A 80 80 THR C C 80 174.793 174.083 0.710 1
1 940 . 16 1 1 A 80 80 THR CA C 80 60.280 61.142 -0.862 1
1 941 . 16 1 1 A 80 80 THR CB C 80 69.000 69.256 -0.256 1
1 943 . 16 1 1 A 80 80 THR N N 80 109.416 115.664 -6.248 1
1 944 . 16 1 1 A 81 81 PHE H H 81 7.610 7.411 0.199 1
1 945 . 16 1 1 A 81 81 PHE HA H 81 3.944 4.208 -0.264 1
1 950 . 16 1 1 A 81 81 PHE C C 81 176.462 176.849 -0.387 1
1 951 . 16 1 1 A 81 81 PHE CA C 81 59.940 59.833 0.107 1
1 952 . 16 1 1 A 81 81 PHE CB C 81 39.700 38.835 0.865 1
1 954 . 16 1 1 A 81 81 PHE N N 81 123.672 123.310 0.362 1
1 955 . 16 1 1 A 82 82 GLY H H 82 8.827 8.073 0.754 1
1 956 . 16 1 1 A 82 82 GLY HA2 H 82 4.000 3.225 0.775 1
1 957 . 16 1 1 A 82 82 GLY HA3 H 82 2.606 3.386 -0.780 1
1 958 . 16 1 1 A 82 82 GLY C C 82 172.388 174.021 -1.633 1
1 959 . 16 1 1 A 82 82 GLY CA C 82 44.590 46.364 -1.774 1
1 960 . 16 1 1 A 82 82 GLY N N 82 115.493 113.497 1.996 1
1 961 . 16 1 1 A 83 83 THR H H 83 7.265 7.556 -0.291 1
1 962 . 16 1 1 A 83 83 THR HA H 83 4.418 4.484 -0.066 1
1 967 . 16 1 1 A 83 83 THR C C 83 173.808 173.351 0.457 1
1 968 . 16 1 1 A 83 83 THR CA C 83 61.180 60.975 0.205 1
1 969 . 16 1 1 A 83 83 THR CB C 83 70.020 69.964 0.056 1
1 971 . 16 1 1 A 83 83 THR N N 83 115.366 113.956 1.410 1
1 972 . 16 1 1 A 84 84 CYS H H 84 9.410 8.444 0.966 1
1 973 . 16 1 1 A 84 84 CYS HA H 84 4.339 4.702 -0.363 1
1 976 . 16 1 1 A 84 84 CYS C C 84 177.986 175.805 2.181 1
1 977 . 16 1 1 A 84 84 CYS CA C 84 60.080 59.680 0.400 1
1 978 . 16 1 1 A 84 84 CYS CB C 84 30.630 28.030 2.600 1
1 979 . 16 1 1 A 84 84 CYS N N 84 131.144 126.023 5.121 1
1 980 . 16 1 1 A 85 85 VAL H H 85 8.461 7.795 0.666 1
1 981 . 16 1 1 A 85 85 VAL HA H 85 3.918 3.687 0.231 1
1 989 . 16 1 1 A 85 85 VAL C C 85 175.608 177.518 -1.910 1
1 990 . 16 1 1 A 85 85 VAL CA C 85 64.080 65.050 -0.970 1
1 991 . 16 1 1 A 85 85 VAL CB C 85 31.730 31.171 0.559 1
1 994 . 16 1 1 A 85 85 VAL N N 85 126.221 125.154 1.067 1
1 995 . 16 1 1 A 86 86 LYS H H 86 8.924 8.016 0.908 1
1 996 . 16 1 1 A 86 86 LYS HA H 86 4.496 4.123 0.373 1
1 1005 . 16 1 1 A 86 86 LYS C C 86 177.277 177.782 -0.505 1
1 1006 . 16 1 1 A 86 86 LYS CA C 86 58.500 58.881 -0.381 1
1 1007 . 16 1 1 A 86 86 LYS CB C 86 33.780 32.607 1.173 1
1 1011 . 16 1 1 A 86 86 LYS N N 86 123.551 121.846 1.705 1
1 1012 . 16 1 1 A 87 87 CYS H H 87 8.264 7.460 0.804 1
1 1013 . 16 1 1 A 87 87 CYS HA H 87 4.925 4.628 0.297 1
1 1016 . 16 1 1 A 87 87 CYS C C 87 177.211 175.667 1.544 1
1 1017 . 16 1 1 A 87 87 CYS CA C 87 58.980 58.471 0.509 1
1 1018 . 16 1 1 A 87 87 CYS CB C 87 33.100 29.469 3.631 1
1 1019 . 16 1 1 A 87 87 CYS N N 87 117.502 114.922 2.580 1
1 1020 . 16 1 1 A 88 88 GLY H H 88 7.655 7.937 -0.282 1
1 1021 . 16 1 1 A 88 88 GLY HA2 H 88 4.159 3.936 0.223 1
1 1022 . 16 1 1 A 88 88 GLY HA3 H 88 3.729 3.944 -0.215 1
1 1023 . 16 1 1 A 88 88 GLY C C 88 173.558 174.025 -0.467 1
1 1024 . 16 1 1 A 88 88 GLY CA C 88 46.300 46.247 0.053 1
1 1025 . 16 1 1 A 88 88 GLY N N 88 111.948 111.755 0.193 1
1 1026 . 16 1 1 A 89 89 LYS H H 89 8.721 7.518 1.203 1
1 1027 . 16 1 1 A 89 89 LYS HA H 89 4.315 4.708 -0.393 1
1 1036 . 16 1 1 A 89 89 LYS C C 89 176.659 175.436 1.223 1
1 1037 . 16 1 1 A 89 89 LYS CA C 89 56.860 53.982 2.878 1
1 1038 . 16 1 1 A 89 89 LYS CB C 89 33.540 34.794 -1.254 1
1 1042 . 16 1 1 A 89 89 LYS N N 89 123.614 119.154 4.460 1
1 1043 . 16 1 1 A 90 90 ARG H H 90 8.415 8.427 -0.012 1
1 1044 . 16 1 1 A 90 90 ARG HA H 90 4.299 4.492 -0.193 1
1 1051 . 16 1 1 A 90 90 ARG C C 90 176.041 176.419 -0.378 1
1 1052 . 16 1 1 A 90 90 ARG CA C 90 56.030 56.433 -0.403 1
1 1053 . 16 1 1 A 90 90 ARG CB C 90 29.470 30.810 -1.340 1
1 1056 . 16 1 1 A 90 90 ARG N N 90 121.880 121.643 0.237 1
1 1057 . 16 1 1 A 91 91 ILE H H 91 8.334 8.571 -0.237 1
1 1058 . 16 1 1 A 91 91 ILE HA H 91 3.668 4.202 -0.534 1
1 1068 . 16 1 1 A 91 91 ILE C C 91 175.003 176.161 -1.158 1
1 1069 . 16 1 1 A 91 91 ILE CA C 91 61.810 60.547 1.263 1
1 1070 . 16 1 1 A 91 91 ILE CB C 91 38.920 38.158 0.762 1
1 1074 . 16 1 1 A 91 91 ILE N N 91 128.410 125.459 2.951 1
1 1075 . 16 1 1 A 92 92 SER H H 92 8.551 8.652 -0.101 1
1 1076 . 16 1 1 A 92 92 SER HA H 92 4.180 4.463 -0.283 1
1 1079 . 16 1 1 A 92 92 SER C C 92 175.108 174.929 0.179 1
1 1080 . 16 1 1 A 92 92 SER CA C 92 58.460 59.109 -0.649 1
1 1081 . 16 1 1 A 92 92 SER CB C 92 64.180 63.462 0.718 1
1 1082 . 16 1 1 A 92 92 SER N N 92 124.170 120.678 3.492 1
1 1083 . 16 1 1 A 93 93 GLU H H 93 8.912 8.842 0.070 1
1 1084 . 16 1 1 A 93 93 GLU HA H 93 3.939 3.945 -0.006 1
1 1089 . 16 1 1 A 93 93 GLU C C 93 178.144 177.694 0.450 1
1 1090 . 16 1 1 A 93 93 GLU CA C 93 60.080 59.654 0.426 1
1 1091 . 16 1 1 A 93 93 GLU CB C 93 29.960 29.337 0.623 1
1 1093 . 16 1 1 A 93 93 GLU N N 93 123.996 125.084 -1.088 1
1 1094 . 16 1 1 A 94 94 ASP H H 94 8.311 8.410 -0.099 1
1 1095 . 16 1 1 A 94 94 ASP HA H 94 4.252 4.315 -0.063 1
1 1098 . 16 1 1 A 94 94 ASP C C 94 178.472 178.730 -0.258 1
1 1099 . 16 1 1 A 94 94 ASP CA C 94 57.240 57.069 0.171 1
1 1100 . 16 1 1 A 94 94 ASP CB C 94 40.420 42.158 -1.738 1
1 1101 . 16 1 1 A 94 94 ASP N N 94 116.432 120.735 -4.303 1
1 1102 . 16 1 1 A 95 95 ARG H H 95 7.365 7.935 -0.570 1
1 1103 . 16 1 1 A 95 95 ARG HA H 95 4.067 4.143 -0.076 1
1 1110 . 16 1 1 A 95 95 ARG C C 95 177.237 178.633 -1.396 1
1 1111 . 16 1 1 A 95 95 ARG CA C 95 58.870 58.215 0.655 1
1 1112 . 16 1 1 A 95 95 ARG CB C 95 29.100 29.830 -0.730 1
1 1115 . 16 1 1 A 95 95 ARG N N 95 121.517 119.561 1.956 1
1 1116 . 16 1 1 A 96 96 LEU H H 96 7.831 8.070 -0.239 1
1 1117 . 16 1 1 A 96 96 LEU HA H 96 3.735 4.015 -0.280 1
1 1127 . 16 1 1 A 96 96 LEU C C 96 177.855 179.725 -1.870 1
1 1128 . 16 1 1 A 96 96 LEU CA C 96 56.930 57.525 -0.595 1
1 1129 . 16 1 1 A 96 96 LEU CB C 96 41.300 40.750 0.550 1
1 1133 . 16 1 1 A 96 96 LEU N N 96 119.073 119.345 -0.272 1
1 1134 . 16 1 1 A 97 97 LYS H H 97 8.098 8.415 -0.317 1
1 1135 . 16 1 1 A 97 97 LYS HA H 97 4.014 4.351 -0.337 1
1 1144 . 16 1 1 A 97 97 LYS C C 97 178.433 178.702 -0.269 1
1 1145 . 16 1 1 A 97 97 LYS CA C 97 59.080 59.116 -0.036 1
1 1146 . 16 1 1 A 97 97 LYS CB C 97 32.830 31.917 0.913 1
1 1150 . 16 1 1 A 97 97 LYS N N 97 114.647 118.677 -4.030 1
1 1151 . 16 1 1 A 98 98 ALA H H 98 7.011 7.485 -0.474 1
1 1152 . 16 1 1 A 98 98 ALA HA H 98 4.196 4.232 -0.036 1
1 1156 . 16 1 1 A 98 98 ALA C C 98 178.814 177.940 0.874 1
1 1157 . 16 1 1 A 98 98 ALA CA C 98 54.480 54.162 0.318 1
1 1158 . 16 1 1 A 98 98 ALA CB C 98 19.380 19.687 -0.307 1
1 1159 . 16 1 1 A 98 98 ALA N N 98 119.536 121.041 -1.505 1
1 1160 . 16 1 1 A 99 99 VAL H H 99 8.133 7.709 0.424 1
1 1161 . 16 1 1 A 99 99 VAL HA H 99 4.098 4.219 -0.121 1
1 1169 . 16 1 1 A 99 99 VAL CA C 99 58.260 58.840 -0.580 1
1 1170 . 16 1 1 A 99 99 VAL CB C 99 32.530 32.816 -0.286 1
1 1173 . 16 1 1 A 99 99 VAL N N 99 114.735 115.014 -0.279 1
1 1174 . 16 1 1 A 100 100 PRO HA H 100 4.761 4.414 0.347 1
1 1181 . 16 1 1 A 100 100 PRO C C 100 175.437 177.289 -1.852 1
1 1182 . 16 1 1 A 100 100 PRO CA C 100 65.370 64.812 0.558 1
1 1183 . 16 1 1 A 100 100 PRO CB C 100 31.190 31.981 -0.791 1
1 1186 . 16 1 1 A 101 101 TYR H H 101 6.053 7.823 -1.770 1
1 1187 . 16 1 1 A 101 101 TYR HA H 101 4.463 4.694 -0.231 1
1 1194 . 16 1 1 A 101 101 TYR C C 101 175.871 174.768 1.103 1
1 1195 . 16 1 1 A 101 101 TYR CA C 101 53.920 57.236 -3.316 1
1 1196 . 16 1 1 A 101 101 TYR CB C 101 38.230 38.464 -0.234 1
1 1199 . 16 1 1 A 101 101 TYR N N 101 108.211 114.660 -6.449 1
1 1200 . 16 1 1 A 102 102 THR H H 102 7.466 7.573 -0.107 1
1 1201 . 16 1 1 A 102 102 THR HA H 102 4.384 4.888 -0.504 1
1 1206 . 16 1 1 A 102 102 THR CA C 102 60.030 58.350 1.680 1
1 1207 . 16 1 1 A 102 102 THR CB C 102 69.600 70.135 -0.535 1
1 1209 . 16 1 1 A 102 102 THR N N 102 120.556 115.228 5.328 1
1 1210 . 16 1 1 A 103 103 PRO HA H 103 4.244 4.327 -0.083 1
1 1217 . 16 1 1 A 103 103 PRO C C 103 176.344 175.849 0.495 1
1 1218 . 16 1 1 A 103 103 PRO CA C 103 62.400 63.769 -1.369 1
1 1219 . 16 1 1 A 103 103 PRO CB C 103 32.250 31.128 1.122 1
1 1222 . 16 1 1 A 104 104 PHE H H 104 7.365 7.454 -0.089 1
1 1223 . 16 1 1 A 104 104 PHE HA H 104 6.207 5.014 1.193 1
1 1230 . 16 1 1 A 104 104 PHE C C 104 176.133 175.919 0.214 1
1 1231 . 16 1 1 A 104 104 PHE CA C 104 55.220 56.391 -1.171 1
1 1232 . 16 1 1 A 104 104 PHE CB C 104 44.480 41.144 3.336 1
1 1235 . 16 1 1 A 104 104 PHE N N 104 115.933 117.689 -1.756 1
1 1236 . 16 1 1 A 105 105 CYS H H 105 9.248 8.763 0.485 1
1 1237 . 16 1 1 A 105 105 CYS HA H 105 4.638 4.578 0.060 1
1 1240 . 16 1 1 A 105 105 CYS C C 105 174.254 175.387 -1.133 1
1 1241 . 16 1 1 A 105 105 CYS CA C 105 58.060 58.690 -0.630 1
1 1242 . 16 1 1 A 105 105 CYS CB C 105 31.250 29.459 1.791 1
1 1243 . 16 1 1 A 105 105 CYS N N 105 118.999 124.357 -5.358 1
1 1244 . 16 1 1 A 106 106 GLN H H 106 8.865 8.970 -0.105 1
1 1245 . 16 1 1 A 106 106 GLN HA H 106 3.611 3.935 -0.324 1
1 1252 . 16 1 1 A 106 106 GLN C C 106 177.250 177.695 -0.445 1
1 1253 . 16 1 1 A 106 106 GLN CA C 106 59.430 59.167 0.263 1
1 1254 . 16 1 1 A 106 106 GLN CB C 106 28.750 28.594 0.156 1
1 1256 . 16 1 1 A 106 106 GLN N N 106 119.606 122.531 -2.925 1
1 1258 . 16 1 1 A 107 107 GLU H H 107 8.134 8.591 -0.457 1
1 1259 . 16 1 1 A 107 107 GLU HA H 107 3.959 4.110 -0.151 1
1 1264 . 16 1 1 A 107 107 GLU C C 107 179.616 179.424 0.192 1
1 1265 . 16 1 1 A 107 107 GLU CA C 107 60.110 58.958 1.152 1
1 1266 . 16 1 1 A 107 107 GLU CB C 107 29.990 29.150 0.840 1
1 1268 . 16 1 1 A 107 107 GLU N N 107 119.554 118.910 0.644 1
1 1269 . 16 1 1 A 108 108 CYS H H 108 8.681 8.459 0.222 1
1 1270 . 16 1 1 A 108 108 CYS HA H 108 3.783 4.196 -0.413 1
1 1273 . 16 1 1 A 108 108 CYS C C 108 177.868 176.786 1.082 1
1 1274 . 16 1 1 A 108 108 CYS CA C 108 64.110 63.368 0.742 1
1 1275 . 16 1 1 A 108 108 CYS CB C 108 29.270 27.181 2.089 1
1 1276 . 16 1 1 A 108 108 CYS N N 108 123.406 118.751 4.655 1
1 1277 . 16 1 1 A 109 109 ALA H H 109 8.094 8.387 -0.293 1
1 1278 . 16 1 1 A 109 109 ALA HA H 109 3.693 4.000 -0.307 1
1 1282 . 16 1 1 A 109 109 ALA C C 109 178.591 179.832 -1.241 1
1 1283 . 16 1 1 A 109 109 ALA CA C 109 53.710 55.004 -1.294 1
1 1284 . 16 1 1 A 109 109 ALA CB C 109 18.430 18.174 0.256 1
1 1285 . 16 1 1 A 109 109 ALA N N 109 120.579 122.674 -2.095 1
1 1286 . 16 1 1 A 110 110 ALA H H 110 7.402 8.006 -0.604 1
1 1287 . 16 1 1 A 110 110 ALA HA H 110 4.111 4.157 -0.046 1
1 1291 . 16 1 1 A 110 110 ALA C C 110 177.408 179.828 -2.420 1
1 1292 . 16 1 1 A 110 110 ALA CA C 110 53.000 54.858 -1.858 1
1 1293 . 16 1 1 A 110 110 ALA CB C 110 18.710 18.273 0.437 1
1 1294 . 16 1 1 A 110 110 ALA N N 110 118.992 119.700 -0.708 1
1 1295 . 16 1 1 A 111 111 ALA H H 111 7.247 7.514 -0.267 1
1 1296 . 16 1 1 A 111 111 ALA HA H 111 4.300 4.274 0.026 1
1 1300 . 16 1 1 A 111 111 ALA C C 111 176.488 178.148 -1.660 1
1 1301 . 16 1 1 A 111 111 ALA CA C 111 51.840 52.695 -0.855 1
1 1302 . 16 1 1 A 111 111 ALA CB C 111 19.210 19.155 0.055 1
1 1303 . 16 1 1 A 111 111 ALA N N 111 120.857 118.955 1.902 1
1 19 . 17 1 1 A 2 2 ALA H H 2 8.460 8.846 -0.386 1
1 20 . 17 1 1 A 2 2 ALA HA H 2 4.304 4.940 -0.636 1
1 24 . 17 1 1 A 2 2 ALA C C 2 178.183 176.899 1.284 1
1 25 . 17 1 1 A 2 2 ALA CA C 2 52.760 51.524 1.236 1
1 26 . 17 1 1 A 2 2 ALA CB C 2 19.150 20.318 -1.168 1
1 27 . 17 1 1 A 2 2 ALA N N 2 125.375 127.154 -1.779 1
1 28 . 17 1 1 A 3 3 GLY H H 3 8.343 8.377 -0.034 1
1 29 . 17 1 1 A 3 3 GLY N N 3 108.577 107.343 1.234 1
1 30 . 17 1 1 A 5 5 LYS HA H 5 4.355 3.985 0.370 1
1 39 . 17 1 1 A 5 5 LYS CA C 5 56.170 59.918 -3.748 1
1 40 . 17 1 1 A 5 5 LYS CB C 5 33.170 32.771 0.399 1
1 44 . 17 1 1 A 6 6 SER HA H 6 4.429 4.107 0.322 1
1 47 . 17 1 1 A 6 6 SER CA C 6 58.390 61.041 -2.651 1
1 48 . 17 1 1 A 6 6 SER CB C 6 64.040 61.705 2.335 1
1 49 . 17 1 1 A 7 7 MET HA H 7 4.435 4.594 -0.159 1
1 57 . 17 1 1 A 7 7 MET CA C 7 55.610 55.019 0.591 1
1 58 . 17 1 1 A 7 7 MET CB C 7 33.550 34.423 -0.873 1
1 61 . 17 1 1 A 8 8 ASN HA H 8 4.837 4.697 0.140 1
1 66 . 17 1 1 A 8 8 ASN C C 8 175.910 174.807 1.103 1
1 67 . 17 1 1 A 8 8 ASN CA C 8 52.310 52.251 0.059 1
1 68 . 17 1 1 A 8 8 ASN CB C 8 38.190 36.240 1.950 1
1 70 . 17 1 1 A 9 9 VAL H H 9 8.400 7.982 0.418 1
1 71 . 17 1 1 A 9 9 VAL HA H 9 3.908 3.916 -0.008 1
1 79 . 17 1 1 A 9 9 VAL C C 9 176.738 177.679 -0.941 1
1 80 . 17 1 1 A 9 9 VAL CA C 9 65.550 66.841 -1.291 1
1 81 . 17 1 1 A 9 9 VAL CB C 9 31.970 31.442 0.528 1
1 84 . 17 1 1 A 9 9 VAL N N 9 121.216 123.205 -1.989 1
1 85 . 17 1 1 A 10 10 GLU H H 10 8.596 8.165 0.431 1
1 86 . 17 1 1 A 10 10 GLU HA H 10 4.077 3.956 0.121 1
1 91 . 17 1 1 A 10 10 GLU C C 10 178.985 179.350 -0.365 1
1 92 . 17 1 1 A 10 10 GLU CA C 10 59.390 59.236 0.154 1
1 93 . 17 1 1 A 10 10 GLU CB C 10 29.000 28.961 0.039 1
1 95 . 17 1 1 A 10 10 GLU N N 10 121.274 120.331 0.943 1
1 96 . 17 1 1 A 11 11 SER H H 11 7.841 8.095 -0.254 1
1 97 . 17 1 1 A 11 11 SER HA H 11 4.138 4.072 0.066 1
1 100 . 17 1 1 A 11 11 SER C C 11 176.817 176.468 0.349 1
1 101 . 17 1 1 A 11 11 SER CA C 11 60.790 62.178 -1.388 1
1 102 . 17 1 1 A 11 11 SER CB C 11 62.470 63.006 -0.536 1
1 103 . 17 1 1 A 11 11 SER N N 11 115.238 117.356 -2.118 1
1 104 . 17 1 1 A 12 12 TYR H H 12 7.284 7.276 0.008 1
1 105 . 17 1 1 A 12 12 TYR HA H 12 4.104 4.315 -0.211 1
1 112 . 17 1 1 A 12 12 TYR C C 12 177.132 178.068 -0.936 1
1 113 . 17 1 1 A 12 12 TYR CA C 12 62.060 61.738 0.322 1
1 114 . 17 1 1 A 12 12 TYR CB C 12 38.710 37.806 0.904 1
1 117 . 17 1 1 A 12 12 TYR N N 12 120.370 119.826 0.544 1
1 118 . 17 1 1 A 13 13 GLU H H 13 8.490 8.496 -0.006 1
1 119 . 17 1 1 A 13 13 GLU HA H 13 3.432 3.881 -0.449 1
1 124 . 17 1 1 A 13 13 GLU C C 13 177.303 178.826 -1.523 1
1 125 . 17 1 1 A 13 13 GLU CA C 13 60.660 59.591 1.069 1
1 126 . 17 1 1 A 13 13 GLU CB C 13 29.200 28.683 0.517 1
1 128 . 17 1 1 A 13 13 GLU N N 13 120.162 120.820 -0.658 1
1 129 . 17 1 1 A 14 14 LYS H H 14 7.454 8.033 -0.579 1
1 130 . 17 1 1 A 14 14 LYS HA H 14 3.900 4.098 -0.198 1
1 139 . 17 1 1 A 14 14 LYS C C 14 178.249 178.786 -0.537 1
1 140 . 17 1 1 A 14 14 LYS CA C 14 59.620 59.034 0.586 1
1 141 . 17 1 1 A 14 14 LYS CB C 14 32.420 31.756 0.664 1
1 145 . 17 1 1 A 14 14 LYS N N 14 117.838 118.322 -0.484 1
1 146 . 17 1 1 A 15 15 ILE H H 15 7.409 7.586 -0.177 1
1 147 . 17 1 1 A 15 15 ILE HA H 15 3.822 3.963 -0.141 1
1 157 . 17 1 1 A 15 15 ILE C C 15 179.668 178.183 1.485 1
1 158 . 17 1 1 A 15 15 ILE CA C 15 65.030 63.167 1.863 1
1 159 . 17 1 1 A 15 15 ILE CB C 15 38.950 37.686 1.264 1
1 163 . 17 1 1 A 15 15 ILE N N 15 118.597 120.242 -1.645 1
1 164 . 17 1 1 A 16 16 LEU H H 16 8.407 7.983 0.424 1
1 165 . 17 1 1 A 16 16 LEU HA H 16 3.992 4.096 -0.104 1
1 175 . 17 1 1 A 16 16 LEU C C 16 178.512 178.848 -0.336 1
1 176 . 17 1 1 A 16 16 LEU CA C 16 58.230 57.810 0.420 1
1 177 . 17 1 1 A 16 16 LEU CB C 16 42.130 41.362 0.768 1
1 181 . 17 1 1 A 16 16 LEU N N 16 120.642 120.954 -0.312 1
1 182 . 17 1 1 A 17 17 ARG H H 17 8.789 8.368 0.421 1
1 183 . 17 1 1 A 17 17 ARG HA H 17 3.917 4.025 -0.108 1
1 190 . 17 1 1 A 17 17 ARG C C 17 179.602 178.586 1.016 1
1 191 . 17 1 1 A 17 17 ARG CA C 17 60.080 59.674 0.406 1
1 192 . 17 1 1 A 17 17 ARG CB C 17 29.620 30.162 -0.542 1
1 195 . 17 1 1 A 17 17 ARG N N 17 119.196 119.137 0.059 1
1 196 . 17 1 1 A 18 18 ASP H H 18 8.638 8.173 0.465 1
1 197 . 17 1 1 A 18 18 ASP HA H 18 4.418 4.505 -0.087 1
1 200 . 17 1 1 A 18 18 ASP C C 18 179.116 179.109 0.007 1
1 201 . 17 1 1 A 18 18 ASP CA C 18 57.330 56.817 0.513 1
1 202 . 17 1 1 A 18 18 ASP CB C 18 39.700 40.145 -0.445 1
1 203 . 17 1 1 A 18 18 ASP N N 18 121.383 119.567 1.816 1
1 204 . 17 1 1 A 19 19 ARG H H 19 7.947 7.841 0.106 1
1 205 . 17 1 1 A 19 19 ARG HA H 19 4.180 3.986 0.194 1
1 212 . 17 1 1 A 19 19 ARG C C 19 177.855 179.150 -1.295 1
1 213 . 17 1 1 A 19 19 ARG CA C 19 57.680 59.523 -1.843 1
1 214 . 17 1 1 A 19 19 ARG CB C 19 29.540 29.986 -0.446 1
1 217 . 17 1 1 A 19 19 ARG N N 19 121.506 121.318 0.188 1
1 218 . 17 1 1 A 20 20 GLN H H 20 8.691 8.208 0.483 1
1 219 . 17 1 1 A 20 20 GLN HA H 20 3.589 3.916 -0.327 1
1 226 . 17 1 1 A 20 20 GLN C C 20 176.896 178.188 -1.292 1
1 227 . 17 1 1 A 20 20 GLN CA C 20 59.620 58.608 1.012 1
1 228 . 17 1 1 A 20 20 GLN CB C 20 30.020 27.820 2.200 1
1 230 . 17 1 1 A 20 20 GLN N N 20 120.162 118.137 2.025 1
1 232 . 17 1 1 A 21 21 ARG H H 21 7.959 7.760 0.199 1
1 233 . 17 1 1 A 21 21 ARG HA H 21 3.973 4.316 -0.343 1
1 240 . 17 1 1 A 21 21 ARG C C 21 178.985 179.000 -0.015 1
1 241 . 17 1 1 A 21 21 ARG CA C 21 59.800 59.748 0.052 1
1 242 . 17 1 1 A 21 21 ARG CB C 21 29.980 30.222 -0.242 1
1 245 . 17 1 1 A 21 21 ARG N N 21 117.219 119.532 -2.313 1
1 246 . 17 1 1 A 22 22 GLU H H 22 7.700 8.182 -0.482 1
1 247 . 17 1 1 A 22 22 GLU HA H 22 4.076 4.116 -0.040 1
1 252 . 17 1 1 A 22 22 GLU C C 22 179.090 179.074 0.016 1
1 253 . 17 1 1 A 22 22 GLU CA C 22 58.950 59.169 -0.219 1
1 254 . 17 1 1 A 22 22 GLU CB C 22 29.580 29.257 0.323 1
1 256 . 17 1 1 A 22 22 GLU N N 22 119.703 118.449 1.254 1
1 257 . 17 1 1 A 23 23 LEU H H 23 8.264 8.092 0.172 1
1 258 . 17 1 1 A 23 23 LEU HA H 23 3.979 3.945 0.034 1
1 268 . 17 1 1 A 23 23 LEU C C 23 179.234 178.821 0.413 1
1 269 . 17 1 1 A 23 23 LEU CA C 23 57.990 57.935 0.055 1
1 270 . 17 1 1 A 23 23 LEU CB C 23 42.370 42.014 0.356 1
1 274 . 17 1 1 A 23 23 LEU N N 23 119.988 121.570 -1.582 1
1 275 . 17 1 1 A 24 24 TYR H H 24 8.688 8.484 0.204 1
1 276 . 17 1 1 A 24 24 TYR HA H 24 4.084 4.436 -0.352 1
1 283 . 17 1 1 A 24 24 TYR C C 24 178.630 179.236 -0.606 1
1 284 . 17 1 1 A 24 24 TYR CA C 24 61.670 61.374 0.296 1
1 285 . 17 1 1 A 24 24 TYR CB C 24 37.780 37.925 -0.145 1
1 288 . 17 1 1 A 24 24 TYR N N 24 119.101 117.948 1.153 1
1 289 . 17 1 1 A 25 25 ARG H H 25 7.945 8.296 -0.351 1
1 290 . 17 1 1 A 25 25 ARG HA H 25 4.043 4.148 -0.105 1
1 297 . 17 1 1 A 25 25 ARG C C 25 178.683 178.616 0.067 1
1 298 . 17 1 1 A 25 25 ARG CA C 25 59.460 58.686 0.774 1
1 299 . 17 1 1 A 25 25 ARG CB C 25 30.160 29.807 0.353 1
1 302 . 17 1 1 A 25 25 ARG N N 25 118.297 118.378 -0.081 1
1 303 . 17 1 1 A 26 26 ARG H H 26 7.726 7.583 0.143 1
1 304 . 17 1 1 A 26 26 ARG HA H 26 4.067 4.056 0.011 1
1 311 . 17 1 1 A 26 26 ARG C C 26 177.986 178.883 -0.897 1
1 312 . 17 1 1 A 26 26 ARG CA C 26 58.300 59.101 -0.801 1
1 313 . 17 1 1 A 26 26 ARG CB C 26 30.670 29.764 0.906 1
1 316 . 17 1 1 A 26 26 ARG N N 26 118.100 119.968 -1.868 1
1 317 . 17 1 1 A 27 27 LEU H H 27 7.971 8.143 -0.172 1
1 318 . 17 1 1 A 27 27 LEU HA H 27 4.095 4.038 0.057 1
1 328 . 17 1 1 A 27 27 LEU C C 27 177.461 177.699 -0.238 1
1 329 . 17 1 1 A 27 27 LEU CA C 27 56.260 57.364 -1.104 1
1 330 . 17 1 1 A 27 27 LEU CB C 27 42.260 41.345 0.915 1
1 334 . 17 1 1 A 27 27 LEU N N 27 118.633 117.264 1.369 1
1 335 . 17 1 1 A 28 28 HIS H H 28 7.863 7.864 -0.001 1
1 336 . 17 1 1 A 28 28 HIS HA H 28 4.482 4.788 -0.306 1
1 341 . 17 1 1 A 28 28 HIS C C 28 174.741 176.249 -1.508 1
1 342 . 17 1 1 A 28 28 HIS CA C 28 56.310 55.946 0.364 1
1 343 . 17 1 1 A 28 28 HIS CB C 28 29.300 29.174 0.126 1
1 346 . 17 1 1 A 28 28 HIS N N 28 116.767 117.536 -0.769 1
1 347 . 17 1 1 A 29 29 LYS H H 29 7.893 8.313 -0.420 1
1 348 . 17 1 1 A 29 29 LYS HA H 29 4.172 3.953 0.219 1
1 357 . 17 1 1 A 29 29 LYS C C 29 176.357 177.832 -1.475 1
1 358 . 17 1 1 A 29 29 LYS CA C 29 56.830 58.732 -1.902 1
1 359 . 17 1 1 A 29 29 LYS CB C 29 32.000 31.740 0.260 1
1 363 . 17 1 1 A 29 29 LYS N N 29 120.331 118.848 1.483 1
1 364 . 17 1 1 A 30 30 ILE H H 30 7.995 7.646 0.349 1
1 365 . 17 1 1 A 30 30 ILE HA H 30 4.085 3.917 0.168 1
1 375 . 17 1 1 A 30 30 ILE C C 30 176.344 177.465 -1.121 1
1 376 . 17 1 1 A 30 30 ILE CA C 30 61.440 64.070 -2.630 1
1 377 . 17 1 1 A 30 30 ILE CB C 30 39.020 37.265 1.755 1
1 381 . 17 1 1 A 30 30 ILE N N 30 120.440 116.620 3.820 1
1 382 . 17 1 1 A 31 31 GLU H H 31 8.367 8.332 0.035 1
1 383 . 17 1 1 A 31 31 GLU HA H 31 4.159 4.394 -0.235 1
1 388 . 17 1 1 A 31 31 GLU C C 31 176.265 176.349 -0.084 1
1 389 . 17 1 1 A 31 31 GLU CA C 31 56.890 56.940 -0.050 1
1 390 . 17 1 1 A 31 31 GLU CB C 31 30.050 30.303 -0.253 1
1 392 . 17 1 1 A 31 31 GLU N N 31 124.043 119.381 4.662 1
1 393 . 17 1 1 A 32 32 ALA H H 32 8.138 7.291 0.847 1
1 394 . 17 1 1 A 32 32 ALA HA H 32 4.175 4.292 -0.117 1
1 398 . 17 1 1 A 32 32 ALA C C 32 177.198 176.695 0.503 1
1 399 . 17 1 1 A 32 32 ALA CA C 32 52.620 52.213 0.407 1
1 400 . 17 1 1 A 32 32 ALA CB C 32 19.490 19.027 0.463 1
1 401 . 17 1 1 A 32 32 ALA N N 32 124.170 123.826 0.344 1
1 402 . 17 1 1 A 33 33 ASP H H 33 8.157 8.823 -0.666 1
1 403 . 17 1 1 A 33 33 ASP HA H 33 4.467 4.344 0.123 1
1 406 . 17 1 1 A 33 33 ASP C C 33 175.910 176.310 -0.400 1
1 407 . 17 1 1 A 33 33 ASP CA C 33 54.500 56.044 -1.544 1
1 408 . 17 1 1 A 33 33 ASP CB C 33 40.750 40.847 -0.097 1
1 409 . 17 1 1 A 33 33 ASP N N 33 118.904 125.648 -6.744 1
1 410 . 17 1 1 A 34 34 PHE H H 34 7.884 8.209 -0.325 1
1 411 . 17 1 1 A 34 34 PHE HA H 34 4.514 4.973 -0.459 1
1 418 . 17 1 1 A 34 34 PHE C C 34 175.319 175.588 -0.269 1
1 419 . 17 1 1 A 34 34 PHE CA C 34 57.610 56.310 1.300 1
1 420 . 17 1 1 A 34 34 PHE CB C 34 39.840 38.595 1.245 1
1 423 . 17 1 1 A 34 34 PHE N N 34 119.439 114.722 4.717 1
1 424 . 17 1 1 A 35 35 GLU H H 35 8.084 7.948 0.136 1
1 425 . 17 1 1 A 35 35 GLU HA H 35 4.190 4.256 -0.066 1
1 430 . 17 1 1 A 35 35 GLU C C 35 175.634 176.616 -0.982 1
1 431 . 17 1 1 A 35 35 GLU CA C 35 56.140 56.572 -0.432 1
1 432 . 17 1 1 A 35 35 GLU CB C 35 30.810 30.177 0.633 1
1 434 . 17 1 1 A 35 35 GLU N N 35 122.340 118.717 3.623 1
1 435 . 17 1 1 A 36 36 GLU H H 36 8.172 8.146 0.026 1
1 436 . 17 1 1 A 36 36 GLU HA H 36 4.442 4.069 0.373 1
1 441 . 17 1 1 A 36 36 GLU CA C 36 54.300 57.217 -2.917 1
1 442 . 17 1 1 A 36 36 GLU CB C 36 29.490 28.391 1.099 1
1 444 . 17 1 1 A 36 36 GLU N N 36 123.278 119.401 3.877 1
1 445 . 17 1 1 A 37 37 PRO HA H 37 4.339 4.547 -0.208 1
1 452 . 17 1 1 A 37 37 PRO C C 37 175.818 176.114 -0.296 1
1 453 . 17 1 1 A 37 37 PRO CA C 37 62.800 63.134 -0.334 1
1 454 . 17 1 1 A 37 37 PRO CB C 37 31.900 31.803 0.097 1
1 457 . 17 1 1 A 38 38 ARG H H 38 8.412 8.719 -0.307 1
1 458 . 17 1 1 A 38 38 ARG HA H 38 4.255 4.863 -0.608 1
1 465 . 17 1 1 A 38 38 ARG C C 38 175.818 175.721 0.097 1
1 466 . 17 1 1 A 38 38 ARG CA C 38 55.350 54.633 0.717 1
1 467 . 17 1 1 A 38 38 ARG CB C 38 31.010 33.085 -2.075 1
1 470 . 17 1 1 A 38 38 ARG N N 38 121.791 124.348 -2.557 1
1 471 . 17 1 1 A 39 39 ASN H H 39 8.624 8.574 0.050 1
1 472 . 17 1 1 A 39 39 ASN HA H 39 4.906 5.184 -0.278 1
1 477 . 17 1 1 A 39 39 ASN CA C 39 51.100 51.414 -0.314 1
1 478 . 17 1 1 A 39 39 ASN CB C 39 38.560 38.926 -0.366 1
1 479 . 17 1 1 A 39 39 ASN N N 39 121.594 120.249 1.345 1
1 481 . 17 1 1 A 40 40 PRO HA H 40 4.310 4.659 -0.349 1
1 488 . 17 1 1 A 40 40 PRO C C 40 176.896 176.704 0.192 1
1 489 . 17 1 1 A 40 40 PRO CA C 40 63.970 62.346 1.624 1
1 490 . 17 1 1 A 40 40 PRO CB C 40 32.210 29.758 2.452 1
1 493 . 17 1 1 A 41 41 ASP H H 41 8.219 8.581 -0.362 1
1 494 . 17 1 1 A 41 41 ASP HA H 41 4.516 4.845 -0.329 1
1 497 . 17 1 1 A 41 41 ASP C C 41 176.252 175.387 0.865 1
1 498 . 17 1 1 A 41 41 ASP CA C 41 54.740 53.901 0.839 1
1 499 . 17 1 1 A 41 41 ASP CB C 41 41.100 41.500 -0.400 1
1 500 . 17 1 1 A 41 41 ASP N N 41 118.818 122.158 -3.340 1
1 501 . 17 1 1 A 42 42 ASP H H 42 7.949 7.684 0.265 1
1 502 . 17 1 1 A 42 42 ASP HA H 42 4.516 4.632 -0.116 1
1 505 . 17 1 1 A 42 42 ASP C C 42 176.567 176.341 0.226 1
1 506 . 17 1 1 A 42 42 ASP CA C 42 54.910 53.753 1.157 1
1 507 . 17 1 1 A 42 42 ASP CB C 42 41.100 42.052 -0.952 1
1 508 . 17 1 1 A 42 42 ASP N N 42 120.104 122.352 -2.248 1
1 509 . 17 1 1 A 43 43 GLU H H 43 8.179 8.755 -0.576 1
1 510 . 17 1 1 A 43 43 GLU HA H 43 4.153 4.047 0.106 1
1 515 . 17 1 1 A 43 43 GLU C C 43 176.488 176.011 0.477 1
1 516 . 17 1 1 A 43 43 GLU CA C 43 57.070 59.404 -2.334 1
1 517 . 17 1 1 A 43 43 GLU CB C 43 30.430 30.217 0.213 1
1 519 . 17 1 1 A 43 43 GLU N N 43 121.153 123.690 -2.537 1
1 520 . 17 1 1 A 44 44 ASP H H 44 8.325 7.461 0.864 1
1 521 . 17 1 1 A 44 44 ASP HA H 44 4.517 4.857 -0.340 1
1 524 . 17 1 1 A 44 44 ASP C C 44 176.462 174.354 2.108 1
1 525 . 17 1 1 A 44 44 ASP CA C 44 54.360 54.150 0.210 1
1 526 . 17 1 1 A 44 44 ASP CB C 44 41.030 41.528 -0.498 1
1 527 . 17 1 1 A 44 44 ASP N N 44 121.100 118.374 2.726 1
1 528 . 17 1 1 A 45 45 ARG H H 45 8.106 8.630 -0.524 1
1 529 . 17 1 1 A 45 45 ARG HA H 45 4.252 4.958 -0.706 1
1 536 . 17 1 1 A 45 45 ARG C C 45 176.475 175.839 0.636 1
1 537 . 17 1 1 A 45 45 ARG CA C 45 56.000 54.204 1.796 1
1 538 . 17 1 1 A 45 45 ARG CB C 45 30.360 33.513 -3.153 1
1 541 . 17 1 1 A 45 45 ARG N N 45 121.258 125.573 -4.315 1
1 542 . 17 1 1 A 46 46 ALA H H 46 8.235 8.402 -0.167 1
1 543 . 17 1 1 A 46 46 ALA HA H 46 4.220 4.582 -0.362 1
1 547 . 17 1 1 A 46 46 ALA C C 46 178.196 177.786 0.410 1
1 548 . 17 1 1 A 46 46 ALA CA C 46 53.070 51.805 1.265 1
1 549 . 17 1 1 A 46 46 ALA CB C 46 18.840 19.443 -0.603 1
1 550 . 17 1 1 A 46 46 ALA N N 46 124.506 124.118 0.388 1
1 551 . 17 1 1 A 47 47 SER H H 47 8.150 7.598 0.552 1
1 552 . 17 1 1 A 47 47 SER HA H 47 4.331 4.242 0.089 1
1 555 . 17 1 1 A 47 47 SER C C 47 174.727 173.654 1.073 1
1 556 . 17 1 1 A 47 47 SER CA C 47 58.820 60.212 -1.392 1
1 557 . 17 1 1 A 47 47 SER CB C 47 63.520 62.935 0.585 1
1 558 . 17 1 1 A 47 47 SER N N 47 114.398 116.649 -2.251 1
1 559 . 17 1 1 A 48 48 GLU H H 48 8.235 8.160 0.075 1
1 560 . 17 1 1 A 48 48 GLU HA H 48 4.244 4.857 -0.613 1
1 565 . 17 1 1 A 48 48 GLU C C 48 176.396 176.155 0.241 1
1 566 . 17 1 1 A 48 48 GLU CA C 48 56.550 55.252 1.298 1
1 567 . 17 1 1 A 48 48 GLU CB C 48 30.330 31.352 -1.022 1
1 569 . 17 1 1 A 48 48 GLU N N 48 122.340 126.632 -4.292 1
1 570 . 17 1 1 A 49 49 ARG H H 49 8.174 8.540 -0.366 1
1 571 . 17 1 1 A 49 49 ARG HA H 49 4.339 4.704 -0.365 1
1 578 . 17 1 1 A 49 49 ARG C C 49 176.344 176.175 0.169 1
1 579 . 17 1 1 A 49 49 ARG CA C 49 55.900 55.184 0.716 1
1 580 . 17 1 1 A 49 49 ARG CB C 49 30.980 30.740 0.240 1
1 583 . 17 1 1 A 49 49 ARG N N 49 121.431 120.564 0.867 1
1 584 . 17 1 1 A 50 50 SER H H 50 8.389 7.826 0.563 1
1 585 . 17 1 1 A 50 50 SER HA H 50 4.392 2.352 2.040 1
1 588 . 17 1 1 A 50 50 SER C C 50 174.517 174.294 0.223 1
1 589 . 17 1 1 A 50 50 SER CA C 50 58.230 61.191 -2.961 1
1 590 . 17 1 1 A 50 50 SER CB C 50 64.010 62.704 1.306 1
1 591 . 17 1 1 A 50 50 SER N N 50 117.321 115.543 1.778 1
1 592 . 17 1 1 A 51 51 ASN H H 51 8.488 7.893 0.595 1
1 593 . 17 1 1 A 51 51 ASN HA H 51 4.657 4.281 0.376 1
1 598 . 17 1 1 A 51 51 ASN C C 51 175.122 174.258 0.864 1
1 599 . 17 1 1 A 51 51 ASN CA C 51 53.780 53.632 0.148 1
1 600 . 17 1 1 A 51 51 ASN CB C 51 38.770 36.866 1.904 1
1 601 . 17 1 1 A 51 51 ASN N N 51 120.903 118.145 2.758 1
1 603 . 17 1 1 A 52 52 ASP H H 52 8.231 8.613 -0.382 1
1 604 . 17 1 1 A 52 52 ASP HA H 52 4.517 4.701 -0.184 1
1 607 . 17 1 1 A 52 52 ASP C C 52 176.291 174.553 1.738 1
1 608 . 17 1 1 A 52 52 ASP CA C 52 54.500 53.422 1.078 1
1 609 . 17 1 1 A 52 52 ASP CB C 52 41.170 39.329 1.841 1
1 610 . 17 1 1 A 52 52 ASP N N 52 120.236 127.264 -7.028 1
1 611 . 17 1 1 A 53 53 GLU H H 53 8.139 8.281 -0.142 1
1 612 . 17 1 1 A 53 53 GLU HA H 53 4.194 4.927 -0.733 1
1 617 . 17 1 1 A 53 53 GLU C C 53 176.606 175.267 1.339 1
1 618 . 17 1 1 A 53 53 GLU CA C 53 56.930 55.131 1.799 1
1 619 . 17 1 1 A 53 53 GLU CB C 53 30.500 33.166 -2.666 1
1 621 . 17 1 1 A 53 53 GLU N N 53 120.655 121.571 -0.916 1
1 622 . 17 1 1 A 54 54 VAL H H 54 8.061 8.509 -0.448 1
1 623 . 17 1 1 A 54 54 VAL HA H 54 3.978 4.009 -0.031 1
1 631 . 17 1 1 A 54 54 VAL C C 54 176.278 176.220 0.058 1
1 632 . 17 1 1 A 54 54 VAL CA C 54 62.880 64.316 -1.436 1
1 633 . 17 1 1 A 54 54 VAL CB C 54 32.660 32.169 0.491 1
1 636 . 17 1 1 A 54 54 VAL N N 54 121.320 120.311 1.009 1
1 637 . 17 1 1 A 55 55 LEU H H 55 8.209 7.981 0.228 1
1 638 . 17 1 1 A 55 55 LEU HA H 55 4.273 4.335 -0.062 1
1 648 . 17 1 1 A 55 55 LEU C C 55 177.355 176.668 0.687 1
1 649 . 17 1 1 A 55 55 LEU CA C 55 55.290 55.621 -0.331 1
1 650 . 17 1 1 A 55 55 LEU CB C 55 42.190 41.065 1.125 1
1 654 . 17 1 1 A 55 55 LEU N N 55 125.139 121.378 3.761 1
1 655 . 17 1 1 A 56 56 ASP H H 56 8.204 8.847 -0.643 1
1 656 . 17 1 1 A 56 56 ASP HA H 56 4.516 4.603 -0.087 1
1 659 . 17 1 1 A 56 56 ASP C C 56 176.633 176.426 0.207 1
1 660 . 17 1 1 A 56 56 ASP CA C 56 54.360 55.795 -1.435 1
1 661 . 17 1 1 A 56 56 ASP CB C 56 41.070 40.310 0.760 1
1 662 . 17 1 1 A 56 56 ASP N N 56 121.154 126.153 -4.999 1
1 663 . 17 1 1 A 57 57 GLU H H 57 8.316 8.090 0.226 1
1 664 . 17 1 1 A 57 57 GLU HA H 57 4.164 4.440 -0.276 1
1 669 . 17 1 1 A 57 57 GLU C C 57 177.158 176.897 0.261 1
1 670 . 17 1 1 A 57 57 GLU CA C 57 57.650 56.326 1.324 1
1 671 . 17 1 1 A 57 57 GLU CB C 57 30.020 29.987 0.033 1
1 673 . 17 1 1 A 57 57 GLU N N 57 120.771 118.408 2.363 1
1 674 . 17 1 1 A 58 58 LEU H H 58 8.204 7.696 0.508 1
1 675 . 17 1 1 A 58 58 LEU HA H 58 4.231 4.453 -0.222 1
1 685 . 17 1 1 A 58 58 LEU C C 58 178.538 177.168 1.370 1
1 686 . 17 1 1 A 58 58 LEU CA C 58 55.690 56.909 -1.219 1
1 687 . 17 1 1 A 58 58 LEU CB C 58 42.230 42.266 -0.036 1
1 691 . 17 1 1 A 58 58 LEU N N 58 120.716 120.120 0.596 1
1 692 . 17 1 1 A 59 59 GLY H H 59 8.212 6.961 1.251 1
1 693 . 17 1 1 A 59 59 GLY HA2 H 59 3.917 4.089 -0.172 1
1 694 . 17 1 1 A 59 59 GLY HA3 H 59 3.917 4.096 -0.179 1
1 695 . 17 1 1 A 59 59 GLY C C 59 174.294 174.638 -0.344 1
1 696 . 17 1 1 A 59 59 GLY CA C 59 45.550 45.533 0.017 1
1 697 . 17 1 1 A 59 59 GLY N N 59 108.670 103.907 4.763 1
1 698 . 17 1 1 A 60 60 GLN H H 60 8.310 8.772 -0.462 1
1 699 . 17 1 1 A 60 60 GLN HA H 60 4.079 3.889 0.190 1
1 706 . 17 1 1 A 60 60 GLN C C 60 177.171 177.643 -0.472 1
1 707 . 17 1 1 A 60 60 GLN CA C 60 57.590 58.935 -1.345 1
1 708 . 17 1 1 A 60 60 GLN CB C 60 28.960 28.918 0.042 1
1 710 . 17 1 1 A 60 60 GLN N N 60 120.662 120.703 -0.041 1
1 712 . 17 1 1 A 61 61 VAL H H 61 8.136 8.000 0.136 1
1 713 . 17 1 1 A 61 61 VAL HA H 61 3.971 3.649 0.322 1
1 721 . 17 1 1 A 61 61 VAL C C 61 178.262 177.815 0.447 1
1 722 . 17 1 1 A 61 61 VAL CA C 61 64.420 66.267 -1.847 1
1 723 . 17 1 1 A 61 61 VAL CB C 61 32.110 31.357 0.753 1
1 726 . 17 1 1 A 61 61 VAL N N 61 119.154 119.516 -0.362 1
1 727 . 17 1 1 A 62 62 GLY H H 62 8.183 8.281 -0.098 1
1 728 . 17 1 1 A 62 62 GLY HA2 H 62 3.966 3.694 0.272 1
1 729 . 17 1 1 A 62 62 GLY HA3 H 62 3.783 3.705 0.078 1
1 730 . 17 1 1 A 62 62 GLY C C 62 174.872 175.827 -0.955 1
1 731 . 17 1 1 A 62 62 GLY CA C 62 46.780 47.028 -0.248 1
1 732 . 17 1 1 A 62 62 GLY N N 62 110.813 107.512 3.301 1
1 733 . 17 1 1 A 63 63 GLN H H 63 8.235 7.827 0.408 1
1 734 . 17 1 1 A 63 63 GLN HA H 63 3.966 3.954 0.012 1
1 741 . 17 1 1 A 63 63 GLN C C 63 178.170 178.456 -0.286 1
1 742 . 17 1 1 A 63 63 GLN CA C 63 58.990 58.673 0.317 1
1 743 . 17 1 1 A 63 63 GLN CB C 63 28.500 28.396 0.104 1
1 745 . 17 1 1 A 63 63 GLN N N 63 120.667 121.363 -0.696 1
1 747 . 17 1 1 A 64 64 ASP H H 64 8.386 8.122 0.264 1
1 748 . 17 1 1 A 64 64 ASP HA H 64 4.347 4.377 -0.030 1
1 751 . 17 1 1 A 64 64 ASP C C 64 178.669 178.419 0.250 1
1 752 . 17 1 1 A 64 64 ASP CA C 64 56.860 56.913 -0.053 1
1 753 . 17 1 1 A 64 64 ASP CB C 64 39.970 40.222 -0.252 1
1 754 . 17 1 1 A 64 64 ASP N N 64 120.058 120.395 -0.337 1
1 755 . 17 1 1 A 65 65 GLU H H 65 7.992 7.790 0.202 1
1 756 . 17 1 1 A 65 65 GLU HA H 65 3.542 4.065 -0.523 1
1 761 . 17 1 1 A 65 65 GLU C C 65 177.842 178.560 -0.718 1
1 762 . 17 1 1 A 65 65 GLU CA C 65 59.560 58.671 0.889 1
1 763 . 17 1 1 A 65 65 GLU CB C 65 29.100 29.378 -0.278 1
1 765 . 17 1 1 A 65 65 GLU N N 65 123.846 119.573 4.273 1
1 766 . 17 1 1 A 66 66 LEU H H 66 8.100 8.120 -0.020 1
1 767 . 17 1 1 A 66 66 LEU HA H 66 3.783 3.841 -0.058 1
1 777 . 17 1 1 A 66 66 LEU C C 66 178.893 178.249 0.644 1
1 778 . 17 1 1 A 66 66 LEU CA C 66 58.610 57.836 0.774 1
1 779 . 17 1 1 A 66 66 LEU CB C 66 41.510 41.516 -0.006 1
1 783 . 17 1 1 A 66 66 LEU N N 66 119.444 121.271 -1.827 1
1 784 . 17 1 1 A 67 67 ARG H H 67 7.870 8.126 -0.256 1
1 785 . 17 1 1 A 67 67 ARG HA H 67 4.095 3.949 0.146 1
1 792 . 17 1 1 A 67 67 ARG C C 67 179.484 178.083 1.401 1
1 793 . 17 1 1 A 67 67 ARG CA C 67 59.490 59.444 0.046 1
1 794 . 17 1 1 A 67 67 ARG CB C 67 30.230 29.898 0.332 1
1 797 . 17 1 1 A 67 67 ARG N N 67 118.088 119.392 -1.304 1
1 798 . 17 1 1 A 68 68 ALA H H 68 7.820 7.686 0.134 1
1 799 . 17 1 1 A 68 68 ALA HA H 68 4.188 4.032 0.156 1
1 803 . 17 1 1 A 68 68 ALA C C 68 181.626 180.249 1.377 1
1 804 . 17 1 1 A 68 68 ALA CA C 68 54.840 55.094 -0.254 1
1 805 . 17 1 1 A 68 68 ALA CB C 68 18.400 18.406 -0.006 1
1 806 . 17 1 1 A 68 68 ALA N N 68 123.318 121.955 1.363 1
1 807 . 17 1 1 A 69 69 ILE H H 69 8.643 7.815 0.828 1
1 808 . 17 1 1 A 69 69 ILE HA H 69 3.539 3.649 -0.110 1
1 818 . 17 1 1 A 69 69 ILE C C 69 177.290 177.534 -0.244 1
1 819 . 17 1 1 A 69 69 ILE CA C 69 66.370 65.433 0.937 1
1 820 . 17 1 1 A 69 69 ILE CB C 69 38.090 37.805 0.285 1
1 824 . 17 1 1 A 69 69 ILE N N 69 122.954 119.166 3.788 1
1 825 . 17 1 1 A 70 70 ASP H H 70 8.415 8.195 0.220 1
1 826 . 17 1 1 A 70 70 ASP HA H 70 4.336 4.407 -0.071 1
1 829 . 17 1 1 A 70 70 ASP C C 70 179.786 178.171 1.615 1
1 830 . 17 1 1 A 70 70 ASP CA C 70 58.130 57.801 0.329 1
1 831 . 17 1 1 A 70 70 ASP CB C 70 40.310 41.840 -1.530 1
1 832 . 17 1 1 A 70 70 ASP N N 70 121.571 120.600 0.971 1
1 833 . 17 1 1 A 71 71 ALA H H 71 7.869 8.111 -0.242 1
1 834 . 17 1 1 A 71 71 ALA HA H 71 4.215 4.156 0.059 1
1 838 . 17 1 1 A 71 71 ALA C C 71 180.246 179.752 0.494 1
1 839 . 17 1 1 A 71 71 ALA CA C 71 54.500 54.758 -0.258 1
1 840 . 17 1 1 A 71 71 ALA CB C 71 17.680 18.331 -0.651 1
1 841 . 17 1 1 A 71 71 ALA N N 71 121.459 120.755 0.704 1
1 842 . 17 1 1 A 72 72 ALA H H 72 8.263 7.787 0.476 1
1 843 . 17 1 1 A 72 72 ALA HA H 72 4.045 4.286 -0.241 1
1 847 . 17 1 1 A 72 72 ALA C C 72 179.668 180.152 -0.484 1
1 848 . 17 1 1 A 72 72 ALA CA C 72 55.560 55.165 0.395 1
1 849 . 17 1 1 A 72 72 ALA CB C 72 19.870 18.454 1.416 1
1 850 . 17 1 1 A 72 72 ALA N N 72 123.378 120.874 2.504 1
1 851 . 17 1 1 A 73 73 LEU H H 73 8.790 8.242 0.548 1
1 852 . 17 1 1 A 73 73 LEU HA H 73 3.920 3.906 0.014 1
1 862 . 17 1 1 A 73 73 LEU C C 73 180.286 179.108 1.178 1
1 863 . 17 1 1 A 73 73 LEU CA C 73 58.130 57.991 0.139 1
1 864 . 17 1 1 A 73 73 LEU CB C 73 41.200 41.234 -0.034 1
1 868 . 17 1 1 A 73 73 LEU N N 73 119.015 118.253 0.762 1
1 869 . 17 1 1 A 74 74 ALA H H 74 7.931 8.282 -0.351 1
1 870 . 17 1 1 A 74 74 ALA HA H 74 4.273 4.007 0.266 1
1 874 . 17 1 1 A 74 74 ALA C C 74 180.811 179.395 1.416 1
1 875 . 17 1 1 A 74 74 ALA CA C 74 54.960 55.472 -0.512 1
1 876 . 17 1 1 A 74 74 ALA CB C 74 17.690 18.550 -0.860 1
1 877 . 17 1 1 A 74 74 ALA N N 74 124.135 121.919 2.216 1
1 878 . 17 1 1 A 75 75 ARG H H 75 7.898 7.659 0.239 1
1 879 . 17 1 1 A 75 75 ARG HA H 75 4.138 4.135 0.003 1
1 886 . 17 1 1 A 75 75 ARG C C 75 179.721 178.854 0.867 1
1 887 . 17 1 1 A 75 75 ARG CA C 75 60.170 58.537 1.633 1
1 888 . 17 1 1 A 75 75 ARG CB C 75 29.970 30.367 -0.397 1
1 891 . 17 1 1 A 75 75 ARG N N 75 120.143 117.345 2.798 1
1 892 . 17 1 1 A 76 76 ILE H H 76 8.061 7.750 0.311 1
1 893 . 17 1 1 A 76 76 ILE HA H 76 3.697 3.679 0.018 1
1 903 . 17 1 1 A 76 76 ILE C C 76 179.392 177.976 1.416 1
1 904 . 17 1 1 A 76 76 ILE CA C 76 66.060 65.665 0.395 1
1 905 . 17 1 1 A 76 76 ILE CB C 76 37.240 38.281 -1.041 1
1 909 . 17 1 1 A 76 76 ILE N N 76 121.537 120.848 0.689 1
1 910 . 17 1 1 A 77 77 ALA H H 77 7.735 8.004 -0.269 1
1 911 . 17 1 1 A 77 77 ALA HA H 77 4.132 4.034 0.098 1
1 915 . 17 1 1 A 77 77 ALA C C 77 179.326 180.261 -0.935 1
1 916 . 17 1 1 A 77 77 ALA CA C 77 54.910 55.148 -0.238 1
1 917 . 17 1 1 A 77 77 ALA CB C 77 17.950 18.013 -0.063 1
1 918 . 17 1 1 A 77 77 ALA N N 77 122.664 121.965 0.699 1
1 919 . 17 1 1 A 78 78 SER H H 78 7.999 7.636 0.363 1
1 920 . 17 1 1 A 78 78 SER HA H 78 4.472 4.522 -0.050 1
1 923 . 17 1 1 A 78 78 SER C C 78 174.675 174.719 -0.044 1
1 924 . 17 1 1 A 78 78 SER CA C 78 59.260 58.667 0.593 1
1 925 . 17 1 1 A 78 78 SER CB C 78 64.070 63.685 0.385 1
1 926 . 17 1 1 A 78 78 SER N N 78 111.061 110.905 0.156 1
1 927 . 17 1 1 A 79 79 GLY H H 79 7.844 7.863 -0.019 1
1 928 . 17 1 1 A 79 79 GLY HA2 H 79 4.233 3.940 0.293 1
1 929 . 17 1 1 A 79 79 GLY HA3 H 79 4.087 3.957 0.130 1
1 930 . 17 1 1 A 79 79 GLY C C 79 175.687 173.905 1.782 1
1 931 . 17 1 1 A 79 79 GLY CA C 79 46.470 45.629 0.841 1
1 932 . 17 1 1 A 79 79 GLY N N 79 109.909 108.785 1.124 1
1 933 . 17 1 1 A 80 80 THR H H 80 8.408 7.729 0.679 1
1 934 . 17 1 1 A 80 80 THR HA H 80 4.504 4.558 -0.054 1
1 939 . 17 1 1 A 80 80 THR C C 80 174.793 174.090 0.703 1
1 940 . 17 1 1 A 80 80 THR CA C 80 60.280 61.258 -0.978 1
1 941 . 17 1 1 A 80 80 THR CB C 80 69.000 69.216 -0.216 1
1 943 . 17 1 1 A 80 80 THR N N 80 109.416 115.850 -6.434 1
1 944 . 17 1 1 A 81 81 PHE H H 81 7.610 7.508 0.102 1
1 945 . 17 1 1 A 81 81 PHE HA H 81 3.944 4.249 -0.305 1
1 950 . 17 1 1 A 81 81 PHE C C 81 176.462 176.889 -0.427 1
1 951 . 17 1 1 A 81 81 PHE CA C 81 59.940 59.962 -0.022 1
1 952 . 17 1 1 A 81 81 PHE CB C 81 39.700 38.755 0.945 1
1 954 . 17 1 1 A 81 81 PHE N N 81 123.672 123.561 0.111 1
1 955 . 17 1 1 A 82 82 GLY H H 82 8.827 8.333 0.494 1
1 956 . 17 1 1 A 82 82 GLY HA2 H 82 4.000 3.377 0.623 1
1 957 . 17 1 1 A 82 82 GLY HA3 H 82 2.606 3.520 -0.914 1
1 958 . 17 1 1 A 82 82 GLY C C 82 172.388 173.913 -1.525 1
1 959 . 17 1 1 A 82 82 GLY CA C 82 44.590 46.194 -1.604 1
1 960 . 17 1 1 A 82 82 GLY N N 82 115.493 113.819 1.674 1
1 961 . 17 1 1 A 83 83 THR H H 83 7.265 7.627 -0.362 1
1 962 . 17 1 1 A 83 83 THR HA H 83 4.418 4.428 -0.010 1
1 967 . 17 1 1 A 83 83 THR C C 83 173.808 173.056 0.752 1
1 968 . 17 1 1 A 83 83 THR CA C 83 61.180 61.236 -0.056 1
1 969 . 17 1 1 A 83 83 THR CB C 83 70.020 69.587 0.433 1
1 971 . 17 1 1 A 83 83 THR N N 83 115.366 114.704 0.662 1
1 972 . 17 1 1 A 84 84 CYS H H 84 9.410 8.635 0.775 1
1 973 . 17 1 1 A 84 84 CYS HA H 84 4.339 4.986 -0.647 1
1 976 . 17 1 1 A 84 84 CYS C C 84 177.986 175.643 2.343 1
1 977 . 17 1 1 A 84 84 CYS CA C 84 60.080 58.283 1.797 1
1 978 . 17 1 1 A 84 84 CYS CB C 84 30.630 27.431 3.199 1
1 979 . 17 1 1 A 84 84 CYS N N 84 131.144 125.815 5.329 1
1 980 . 17 1 1 A 85 85 VAL H H 85 8.461 8.543 -0.082 1
1 981 . 17 1 1 A 85 85 VAL HA H 85 3.918 3.716 0.202 1
1 989 . 17 1 1 A 85 85 VAL C C 85 175.608 177.552 -1.944 1
1 990 . 17 1 1 A 85 85 VAL CA C 85 64.080 65.568 -1.488 1
1 991 . 17 1 1 A 85 85 VAL CB C 85 31.730 31.418 0.312 1
1 994 . 17 1 1 A 85 85 VAL N N 85 126.221 125.198 1.023 1
1 995 . 17 1 1 A 86 86 LYS H H 86 8.924 8.244 0.680 1
1 996 . 17 1 1 A 86 86 LYS HA H 86 4.496 3.983 0.513 1
1 1005 . 17 1 1 A 86 86 LYS C C 86 177.277 177.844 -0.567 1
1 1006 . 17 1 1 A 86 86 LYS CA C 86 58.500 58.757 -0.257 1
1 1007 . 17 1 1 A 86 86 LYS CB C 86 33.780 32.064 1.716 1
1 1011 . 17 1 1 A 86 86 LYS N N 86 123.551 122.010 1.541 1
1 1012 . 17 1 1 A 87 87 CYS H H 87 8.264 7.385 0.879 1
1 1013 . 17 1 1 A 87 87 CYS HA H 87 4.925 4.605 0.320 1
1 1016 . 17 1 1 A 87 87 CYS C C 87 177.211 175.873 1.338 1
1 1017 . 17 1 1 A 87 87 CYS CA C 87 58.980 58.474 0.506 1
1 1018 . 17 1 1 A 87 87 CYS CB C 87 33.100 29.368 3.732 1
1 1019 . 17 1 1 A 87 87 CYS N N 87 117.502 114.643 2.859 1
1 1020 . 17 1 1 A 88 88 GLY H H 88 7.655 8.020 -0.365 1
1 1021 . 17 1 1 A 88 88 GLY HA2 H 88 4.159 3.947 0.212 1
1 1022 . 17 1 1 A 88 88 GLY HA3 H 88 3.729 3.954 -0.225 1
1 1023 . 17 1 1 A 88 88 GLY C C 88 173.558 174.120 -0.562 1
1 1024 . 17 1 1 A 88 88 GLY CA C 88 46.300 46.119 0.181 1
1 1025 . 17 1 1 A 88 88 GLY N N 88 111.948 111.822 0.126 1
1 1026 . 17 1 1 A 89 89 LYS H H 89 8.721 7.625 1.096 1
1 1027 . 17 1 1 A 89 89 LYS HA H 89 4.315 4.666 -0.351 1
1 1036 . 17 1 1 A 89 89 LYS C C 89 176.659 175.289 1.370 1
1 1037 . 17 1 1 A 89 89 LYS CA C 89 56.860 54.338 2.522 1
1 1038 . 17 1 1 A 89 89 LYS CB C 89 33.540 34.130 -0.590 1
1 1042 . 17 1 1 A 89 89 LYS N N 89 123.614 119.305 4.309 1
1 1043 . 17 1 1 A 90 90 ARG H H 90 8.415 8.470 -0.055 1
1 1044 . 17 1 1 A 90 90 ARG HA H 90 4.299 4.516 -0.217 1
1 1051 . 17 1 1 A 90 90 ARG C C 90 176.041 176.473 -0.432 1
1 1052 . 17 1 1 A 90 90 ARG CA C 90 56.030 56.237 -0.207 1
1 1053 . 17 1 1 A 90 90 ARG CB C 90 29.470 31.228 -1.758 1
1 1056 . 17 1 1 A 90 90 ARG N N 90 121.880 121.613 0.267 1
1 1057 . 17 1 1 A 91 91 ILE H H 91 8.334 8.449 -0.115 1
1 1058 . 17 1 1 A 91 91 ILE HA H 91 3.668 4.141 -0.473 1
1 1068 . 17 1 1 A 91 91 ILE C C 91 175.003 176.357 -1.354 1
1 1069 . 17 1 1 A 91 91 ILE CA C 91 61.810 60.928 0.882 1
1 1070 . 17 1 1 A 91 91 ILE CB C 91 38.920 38.035 0.885 1
1 1074 . 17 1 1 A 91 91 ILE N N 91 128.410 125.803 2.607 1
1 1075 . 17 1 1 A 92 92 SER H H 92 8.551 8.797 -0.246 1
1 1076 . 17 1 1 A 92 92 SER HA H 92 4.180 4.449 -0.269 1
1 1079 . 17 1 1 A 92 92 SER C C 92 175.108 175.076 0.032 1
1 1080 . 17 1 1 A 92 92 SER CA C 92 58.460 58.394 0.066 1
1 1081 . 17 1 1 A 92 92 SER CB C 92 64.180 64.013 0.167 1
1 1082 . 17 1 1 A 92 92 SER N N 92 124.170 120.881 3.289 1
1 1083 . 17 1 1 A 93 93 GLU H H 93 8.912 8.940 -0.028 1
1 1084 . 17 1 1 A 93 93 GLU HA H 93 3.939 3.986 -0.047 1
1 1089 . 17 1 1 A 93 93 GLU C C 93 178.144 178.010 0.134 1
1 1090 . 17 1 1 A 93 93 GLU CA C 93 60.080 59.205 0.875 1
1 1091 . 17 1 1 A 93 93 GLU CB C 93 29.960 29.544 0.416 1
1 1093 . 17 1 1 A 93 93 GLU N N 93 123.996 124.663 -0.667 1
1 1094 . 17 1 1 A 94 94 ASP H H 94 8.311 8.285 0.026 1
1 1095 . 17 1 1 A 94 94 ASP HA H 94 4.252 4.377 -0.125 1
1 1098 . 17 1 1 A 94 94 ASP C C 94 178.472 178.333 0.139 1
1 1099 . 17 1 1 A 94 94 ASP CA C 94 57.240 57.073 0.167 1
1 1100 . 17 1 1 A 94 94 ASP CB C 94 40.420 39.727 0.693 1
1 1101 . 17 1 1 A 94 94 ASP N N 94 116.432 120.393 -3.961 1
1 1102 . 17 1 1 A 95 95 ARG H H 95 7.365 7.909 -0.544 1
1 1103 . 17 1 1 A 95 95 ARG HA H 95 4.067 4.110 -0.043 1
1 1110 . 17 1 1 A 95 95 ARG C C 95 177.237 178.668 -1.431 1
1 1111 . 17 1 1 A 95 95 ARG CA C 95 58.870 58.714 0.156 1
1 1112 . 17 1 1 A 95 95 ARG CB C 95 29.100 29.970 -0.870 1
1 1115 . 17 1 1 A 95 95 ARG N N 95 121.517 120.355 1.162 1
1 1116 . 17 1 1 A 96 96 LEU H H 96 7.831 8.019 -0.188 1
1 1117 . 17 1 1 A 96 96 LEU HA H 96 3.735 3.921 -0.186 1
1 1127 . 17 1 1 A 96 96 LEU C C 96 177.855 179.130 -1.275 1
1 1128 . 17 1 1 A 96 96 LEU CA C 96 56.930 57.145 -0.215 1
1 1129 . 17 1 1 A 96 96 LEU CB C 96 41.300 41.032 0.268 1
1 1133 . 17 1 1 A 96 96 LEU N N 96 119.073 119.487 -0.414 1
1 1134 . 17 1 1 A 97 97 LYS H H 97 8.098 8.232 -0.134 1
1 1135 . 17 1 1 A 97 97 LYS HA H 97 4.014 4.331 -0.317 1
1 1144 . 17 1 1 A 97 97 LYS C C 97 178.433 178.593 -0.160 1
1 1145 . 17 1 1 A 97 97 LYS CA C 97 59.080 59.120 -0.040 1
1 1146 . 17 1 1 A 97 97 LYS CB C 97 32.830 31.972 0.858 1
1 1150 . 17 1 1 A 97 97 LYS N N 97 114.647 118.617 -3.970 1
1 1151 . 17 1 1 A 98 98 ALA H H 98 7.011 7.332 -0.321 1
1 1152 . 17 1 1 A 98 98 ALA HA H 98 4.196 4.231 -0.035 1
1 1156 . 17 1 1 A 98 98 ALA C C 98 178.814 177.830 0.984 1
1 1157 . 17 1 1 A 98 98 ALA CA C 98 54.480 53.836 0.644 1
1 1158 . 17 1 1 A 98 98 ALA CB C 98 19.380 19.447 -0.067 1
1 1159 . 17 1 1 A 98 98 ALA N N 98 119.536 120.537 -1.001 1
1 1160 . 17 1 1 A 99 99 VAL H H 99 8.133 7.564 0.569 1
1 1161 . 17 1 1 A 99 99 VAL HA H 99 4.098 4.163 -0.065 1
1 1169 . 17 1 1 A 99 99 VAL CA C 99 58.260 59.386 -1.126 1
1 1170 . 17 1 1 A 99 99 VAL CB C 99 32.530 32.743 -0.213 1
1 1173 . 17 1 1 A 99 99 VAL N N 99 114.735 115.315 -0.580 1
1 1174 . 17 1 1 A 100 100 PRO HA H 100 4.761 4.446 0.315 1
1 1181 . 17 1 1 A 100 100 PRO C C 100 175.437 176.965 -1.528 1
1 1182 . 17 1 1 A 100 100 PRO CA C 100 65.370 63.932 1.438 1
1 1183 . 17 1 1 A 100 100 PRO CB C 100 31.190 31.801 -0.611 1
1 1186 . 17 1 1 A 101 101 TYR H H 101 6.053 7.733 -1.680 1
1 1187 . 17 1 1 A 101 101 TYR HA H 101 4.463 4.712 -0.249 1
1 1194 . 17 1 1 A 101 101 TYR C C 101 175.871 174.738 1.133 1
1 1195 . 17 1 1 A 101 101 TYR CA C 101 53.920 57.318 -3.398 1
1 1196 . 17 1 1 A 101 101 TYR CB C 101 38.230 38.497 -0.267 1
1 1199 . 17 1 1 A 101 101 TYR N N 101 108.211 115.477 -7.266 1
1 1200 . 17 1 1 A 102 102 THR H H 102 7.466 7.428 0.038 1
1 1201 . 17 1 1 A 102 102 THR HA H 102 4.384 4.783 -0.399 1
1 1206 . 17 1 1 A 102 102 THR CA C 102 60.030 58.403 1.627 1
1 1207 . 17 1 1 A 102 102 THR CB C 102 69.600 70.139 -0.539 1
1 1209 . 17 1 1 A 102 102 THR N N 102 120.556 114.820 5.736 1
1 1210 . 17 1 1 A 103 103 PRO HA H 103 4.244 4.301 -0.057 1
1 1217 . 17 1 1 A 103 103 PRO C C 103 176.344 176.024 0.320 1
1 1218 . 17 1 1 A 103 103 PRO CA C 103 62.400 64.432 -2.032 1
1 1219 . 17 1 1 A 103 103 PRO CB C 103 32.250 31.611 0.639 1
1 1222 . 17 1 1 A 104 104 PHE H H 104 7.365 7.376 -0.011 1
1 1223 . 17 1 1 A 104 104 PHE HA H 104 6.207 5.131 1.076 1
1 1230 . 17 1 1 A 104 104 PHE C C 104 176.133 175.726 0.407 1
1 1231 . 17 1 1 A 104 104 PHE CA C 104 55.220 56.324 -1.104 1
1 1232 . 17 1 1 A 104 104 PHE CB C 104 44.480 41.398 3.082 1
1 1235 . 17 1 1 A 104 104 PHE N N 104 115.933 117.775 -1.842 1
1 1236 . 17 1 1 A 105 105 CYS H H 105 9.248 8.849 0.399 1
1 1237 . 17 1 1 A 105 105 CYS HA H 105 4.638 4.788 -0.150 1
1 1240 . 17 1 1 A 105 105 CYS C C 105 174.254 175.762 -1.508 1
1 1241 . 17 1 1 A 105 105 CYS CA C 105 58.060 57.514 0.546 1
1 1242 . 17 1 1 A 105 105 CYS CB C 105 31.250 30.214 1.036 1
1 1243 . 17 1 1 A 105 105 CYS N N 105 118.999 119.978 -0.979 1
1 1244 . 17 1 1 A 106 106 GLN H H 106 8.865 8.953 -0.088 1
1 1245 . 17 1 1 A 106 106 GLN HA H 106 3.611 3.927 -0.316 1
1 1252 . 17 1 1 A 106 106 GLN C C 106 177.250 177.782 -0.532 1
1 1253 . 17 1 1 A 106 106 GLN CA C 106 59.430 59.246 0.184 1
1 1254 . 17 1 1 A 106 106 GLN CB C 106 28.750 28.799 -0.049 1
1 1256 . 17 1 1 A 106 106 GLN N N 106 119.606 122.256 -2.650 1
1 1258 . 17 1 1 A 107 107 GLU H H 107 8.134 8.212 -0.078 1
1 1259 . 17 1 1 A 107 107 GLU HA H 107 3.959 4.134 -0.175 1
1 1264 . 17 1 1 A 107 107 GLU C C 107 179.616 178.634 0.982 1
1 1265 . 17 1 1 A 107 107 GLU CA C 107 60.110 58.867 1.243 1
1 1266 . 17 1 1 A 107 107 GLU CB C 107 29.990 29.121 0.869 1
1 1268 . 17 1 1 A 107 107 GLU N N 107 119.554 116.952 2.602 1
1 1269 . 17 1 1 A 108 108 CYS H H 108 8.681 8.111 0.570 1
1 1270 . 17 1 1 A 108 108 CYS HA H 108 3.783 4.232 -0.449 1
1 1273 . 17 1 1 A 108 108 CYS C C 108 177.868 176.927 0.941 1
1 1274 . 17 1 1 A 108 108 CYS CA C 108 64.110 63.155 0.955 1
1 1275 . 17 1 1 A 108 108 CYS CB C 108 29.270 27.419 1.851 1
1 1276 . 17 1 1 A 108 108 CYS N N 108 123.406 118.693 4.713 1
1 1277 . 17 1 1 A 109 109 ALA H H 109 8.094 8.025 0.069 1
1 1278 . 17 1 1 A 109 109 ALA HA H 109 3.693 4.281 -0.588 1
1 1282 . 17 1 1 A 109 109 ALA C C 109 178.591 179.828 -1.237 1
1 1283 . 17 1 1 A 109 109 ALA CA C 109 53.710 55.010 -1.300 1
1 1284 . 17 1 1 A 109 109 ALA CB C 109 18.430 18.520 -0.090 1
1 1285 . 17 1 1 A 109 109 ALA N N 109 120.579 122.415 -1.836 1
1 1286 . 17 1 1 A 110 110 ALA H H 110 7.402 7.983 -0.581 1
1 1287 . 17 1 1 A 110 110 ALA HA H 110 4.111 4.162 -0.051 1
1 1291 . 17 1 1 A 110 110 ALA C C 110 177.408 179.845 -2.437 1
1 1292 . 17 1 1 A 110 110 ALA CA C 110 53.000 54.414 -1.414 1
1 1293 . 17 1 1 A 110 110 ALA CB C 110 18.710 18.189 0.521 1
1 1294 . 17 1 1 A 110 110 ALA N N 110 118.992 120.592 -1.600 1
1 1295 . 17 1 1 A 111 111 ALA H H 111 7.247 7.574 -0.327 1
1 1296 . 17 1 1 A 111 111 ALA HA H 111 4.300 4.088 0.212 1
1 1300 . 17 1 1 A 111 111 ALA C C 111 176.488 180.100 -3.612 1
1 1301 . 17 1 1 A 111 111 ALA CA C 111 51.840 54.643 -2.803 1
1 1302 . 17 1 1 A 111 111 ALA CB C 111 19.210 18.358 0.852 1
1 1303 . 17 1 1 A 111 111 ALA N N 111 120.857 119.461 1.396 1
1 19 . 18 1 1 A 2 2 ALA H H 2 8.460 9.064 -0.604 1
1 20 . 18 1 1 A 2 2 ALA HA H 2 4.304 4.007 0.297 1
1 24 . 18 1 1 A 2 2 ALA C C 2 178.183 177.492 0.691 1
1 25 . 18 1 1 A 2 2 ALA CA C 2 52.760 54.032 -1.272 1
1 26 . 18 1 1 A 2 2 ALA CB C 2 19.150 17.727 1.423 1
1 27 . 18 1 1 A 2 2 ALA N N 2 125.375 128.811 -3.436 1
1 28 . 18 1 1 A 3 3 GLY H H 3 8.343 8.530 -0.187 1
1 29 . 18 1 1 A 3 3 GLY N N 3 108.577 106.324 2.253 1
1 30 . 18 1 1 A 5 5 LYS HA H 5 4.355 4.860 -0.505 1
1 39 . 18 1 1 A 5 5 LYS CA C 5 56.170 54.931 1.239 1
1 40 . 18 1 1 A 5 5 LYS CB C 5 33.170 35.250 -2.080 1
1 44 . 18 1 1 A 6 6 SER HA H 6 4.429 4.447 -0.018 1
1 47 . 18 1 1 A 6 6 SER CA C 6 58.390 58.920 -0.530 1
1 48 . 18 1 1 A 6 6 SER CB C 6 64.040 63.223 0.817 1
1 49 . 18 1 1 A 7 7 MET HA H 7 4.435 4.235 0.200 1
1 57 . 18 1 1 A 7 7 MET CA C 7 55.610 58.320 -2.710 1
1 58 . 18 1 1 A 7 7 MET CB C 7 33.550 32.256 1.294 1
1 61 . 18 1 1 A 8 8 ASN HA H 8 4.837 4.452 0.385 1
1 66 . 18 1 1 A 8 8 ASN C C 8 175.910 175.451 0.459 1
1 67 . 18 1 1 A 8 8 ASN CA C 8 52.310 53.781 -1.471 1
1 68 . 18 1 1 A 8 8 ASN CB C 8 38.190 36.927 1.263 1
1 70 . 18 1 1 A 9 9 VAL H H 9 8.400 8.148 0.252 1
1 71 . 18 1 1 A 9 9 VAL HA H 9 3.908 3.945 -0.037 1
1 79 . 18 1 1 A 9 9 VAL C C 9 176.738 177.436 -0.698 1
1 80 . 18 1 1 A 9 9 VAL CA C 9 65.550 66.565 -1.015 1
1 81 . 18 1 1 A 9 9 VAL CB C 9 31.970 31.631 0.339 1
1 84 . 18 1 1 A 9 9 VAL N N 9 121.216 125.818 -4.602 1
1 85 . 18 1 1 A 10 10 GLU H H 10 8.596 7.977 0.619 1
1 86 . 18 1 1 A 10 10 GLU HA H 10 4.077 3.853 0.224 1
1 91 . 18 1 1 A 10 10 GLU C C 10 178.985 178.903 0.082 1
1 92 . 18 1 1 A 10 10 GLU CA C 10 59.390 60.040 -0.650 1
1 93 . 18 1 1 A 10 10 GLU CB C 10 29.000 29.587 -0.587 1
1 95 . 18 1 1 A 10 10 GLU N N 10 121.274 120.667 0.607 1
1 96 . 18 1 1 A 11 11 SER H H 11 7.841 7.918 -0.077 1
1 97 . 18 1 1 A 11 11 SER HA H 11 4.138 4.057 0.081 1
1 100 . 18 1 1 A 11 11 SER C C 11 176.817 176.061 0.756 1
1 101 . 18 1 1 A 11 11 SER CA C 11 60.790 62.314 -1.524 1
1 102 . 18 1 1 A 11 11 SER CB C 11 62.470 63.256 -0.786 1
1 103 . 18 1 1 A 11 11 SER N N 11 115.238 116.821 -1.583 1
1 104 . 18 1 1 A 12 12 TYR H H 12 7.284 7.609 -0.325 1
1 105 . 18 1 1 A 12 12 TYR HA H 12 4.104 4.355 -0.251 1
1 112 . 18 1 1 A 12 12 TYR C C 12 177.132 178.036 -0.904 1
1 113 . 18 1 1 A 12 12 TYR CA C 12 62.060 61.139 0.921 1
1 114 . 18 1 1 A 12 12 TYR CB C 12 38.710 37.920 0.790 1
1 117 . 18 1 1 A 12 12 TYR N N 12 120.370 119.926 0.444 1
1 118 . 18 1 1 A 13 13 GLU H H 13 8.490 8.414 0.076 1
1 119 . 18 1 1 A 13 13 GLU HA H 13 3.432 3.880 -0.448 1
1 124 . 18 1 1 A 13 13 GLU C C 13 177.303 178.617 -1.314 1
1 125 . 18 1 1 A 13 13 GLU CA C 13 60.660 59.851 0.809 1
1 126 . 18 1 1 A 13 13 GLU CB C 13 29.200 28.809 0.391 1
1 128 . 18 1 1 A 13 13 GLU N N 13 120.162 120.766 -0.604 1
1 129 . 18 1 1 A 14 14 LYS H H 14 7.454 7.775 -0.321 1
1 130 . 18 1 1 A 14 14 LYS HA H 14 3.900 4.067 -0.167 1
1 139 . 18 1 1 A 14 14 LYS C C 14 178.249 178.794 -0.545 1
1 140 . 18 1 1 A 14 14 LYS CA C 14 59.620 59.089 0.531 1
1 141 . 18 1 1 A 14 14 LYS CB C 14 32.420 32.122 0.298 1
1 145 . 18 1 1 A 14 14 LYS N N 14 117.838 118.234 -0.396 1
1 146 . 18 1 1 A 15 15 ILE H H 15 7.409 7.627 -0.218 1
1 147 . 18 1 1 A 15 15 ILE HA H 15 3.822 3.951 -0.129 1
1 157 . 18 1 1 A 15 15 ILE C C 15 179.668 177.622 2.046 1
1 158 . 18 1 1 A 15 15 ILE CA C 15 65.030 63.393 1.637 1
1 159 . 18 1 1 A 15 15 ILE CB C 15 38.950 37.682 1.268 1
1 163 . 18 1 1 A 15 15 ILE N N 15 118.597 120.564 -1.967 1
1 164 . 18 1 1 A 16 16 LEU H H 16 8.407 8.163 0.244 1
1 165 . 18 1 1 A 16 16 LEU HA H 16 3.992 3.981 0.011 1
1 175 . 18 1 1 A 16 16 LEU C C 16 178.512 179.194 -0.682 1
1 176 . 18 1 1 A 16 16 LEU CA C 16 58.230 58.109 0.121 1
1 177 . 18 1 1 A 16 16 LEU CB C 16 42.130 41.202 0.928 1
1 181 . 18 1 1 A 16 16 LEU N N 16 120.642 121.319 -0.677 1
1 182 . 18 1 1 A 17 17 ARG H H 17 8.789 7.931 0.858 1
1 183 . 18 1 1 A 17 17 ARG HA H 17 3.917 4.274 -0.357 1
1 190 . 18 1 1 A 17 17 ARG C C 17 179.602 179.166 0.436 1
1 191 . 18 1 1 A 17 17 ARG CA C 17 60.080 59.346 0.734 1
1 192 . 18 1 1 A 17 17 ARG CB C 17 29.620 30.053 -0.433 1
1 195 . 18 1 1 A 17 17 ARG N N 17 119.196 119.192 0.004 1
1 196 . 18 1 1 A 18 18 ASP H H 18 8.638 8.406 0.232 1
1 197 . 18 1 1 A 18 18 ASP HA H 18 4.418 4.428 -0.010 1
1 200 . 18 1 1 A 18 18 ASP C C 18 179.116 179.149 -0.033 1
1 201 . 18 1 1 A 18 18 ASP CA C 18 57.330 57.102 0.228 1
1 202 . 18 1 1 A 18 18 ASP CB C 18 39.700 40.037 -0.337 1
1 203 . 18 1 1 A 18 18 ASP N N 18 121.383 119.978 1.405 1
1 204 . 18 1 1 A 19 19 ARG H H 19 7.947 7.893 0.054 1
1 205 . 18 1 1 A 19 19 ARG HA H 19 4.180 4.110 0.070 1
1 212 . 18 1 1 A 19 19 ARG C C 19 177.855 179.015 -1.160 1
1 213 . 18 1 1 A 19 19 ARG CA C 19 57.680 59.426 -1.746 1
1 214 . 18 1 1 A 19 19 ARG CB C 19 29.540 29.895 -0.355 1
1 217 . 18 1 1 A 19 19 ARG N N 19 121.506 119.518 1.988 1
1 218 . 18 1 1 A 20 20 GLN H H 20 8.691 8.292 0.399 1
1 219 . 18 1 1 A 20 20 GLN HA H 20 3.589 3.997 -0.408 1
1 226 . 18 1 1 A 20 20 GLN C C 20 176.896 178.235 -1.339 1
1 227 . 18 1 1 A 20 20 GLN CA C 20 59.620 58.794 0.826 1
1 228 . 18 1 1 A 20 20 GLN CB C 20 30.020 27.906 2.114 1
1 230 . 18 1 1 A 20 20 GLN N N 20 120.162 118.101 2.061 1
1 232 . 18 1 1 A 21 21 ARG H H 21 7.959 7.895 0.064 1
1 233 . 18 1 1 A 21 21 ARG HA H 21 3.973 4.345 -0.372 1
1 240 . 18 1 1 A 21 21 ARG C C 21 178.985 179.190 -0.205 1
1 241 . 18 1 1 A 21 21 ARG CA C 21 59.800 59.659 0.141 1
1 242 . 18 1 1 A 21 21 ARG CB C 21 29.980 30.006 -0.026 1
1 245 . 18 1 1 A 21 21 ARG N N 21 117.219 119.523 -2.304 1
1 246 . 18 1 1 A 22 22 GLU H H 22 7.700 8.006 -0.306 1
1 247 . 18 1 1 A 22 22 GLU HA H 22 4.076 4.146 -0.070 1
1 252 . 18 1 1 A 22 22 GLU C C 22 179.090 178.752 0.338 1
1 253 . 18 1 1 A 22 22 GLU CA C 22 58.950 59.174 -0.224 1
1 254 . 18 1 1 A 22 22 GLU CB C 22 29.580 28.722 0.858 1
1 256 . 18 1 1 A 22 22 GLU N N 22 119.703 118.491 1.212 1
1 257 . 18 1 1 A 23 23 LEU H H 23 8.264 7.845 0.419 1
1 258 . 18 1 1 A 23 23 LEU HA H 23 3.979 4.083 -0.104 1
1 268 . 18 1 1 A 23 23 LEU C C 23 179.234 178.718 0.516 1
1 269 . 18 1 1 A 23 23 LEU CA C 23 57.990 57.801 0.189 1
1 270 . 18 1 1 A 23 23 LEU CB C 23 42.370 41.999 0.371 1
1 274 . 18 1 1 A 23 23 LEU N N 23 119.988 121.774 -1.786 1
1 275 . 18 1 1 A 24 24 TYR H H 24 8.688 8.357 0.331 1
1 276 . 18 1 1 A 24 24 TYR HA H 24 4.084 4.397 -0.313 1
1 283 . 18 1 1 A 24 24 TYR C C 24 178.630 179.238 -0.608 1
1 284 . 18 1 1 A 24 24 TYR CA C 24 61.670 61.263 0.407 1
1 285 . 18 1 1 A 24 24 TYR CB C 24 37.780 37.849 -0.069 1
1 288 . 18 1 1 A 24 24 TYR N N 24 119.101 118.996 0.105 1
1 289 . 18 1 1 A 25 25 ARG H H 25 7.945 8.065 -0.120 1
1 290 . 18 1 1 A 25 25 ARG HA H 25 4.043 4.173 -0.130 1
1 297 . 18 1 1 A 25 25 ARG C C 25 178.683 178.668 0.015 1
1 298 . 18 1 1 A 25 25 ARG CA C 25 59.460 59.178 0.282 1
1 299 . 18 1 1 A 25 25 ARG CB C 25 30.160 29.831 0.329 1
1 302 . 18 1 1 A 25 25 ARG N N 25 118.297 118.423 -0.126 1
1 303 . 18 1 1 A 26 26 ARG H H 26 7.726 7.730 -0.004 1
1 304 . 18 1 1 A 26 26 ARG HA H 26 4.067 4.083 -0.016 1
1 311 . 18 1 1 A 26 26 ARG C C 26 177.986 178.940 -0.954 1
1 312 . 18 1 1 A 26 26 ARG CA C 26 58.300 59.134 -0.834 1
1 313 . 18 1 1 A 26 26 ARG CB C 26 30.670 29.891 0.779 1
1 316 . 18 1 1 A 26 26 ARG N N 26 118.100 119.726 -1.626 1
1 317 . 18 1 1 A 27 27 LEU H H 27 7.971 8.057 -0.086 1
1 318 . 18 1 1 A 27 27 LEU HA H 27 4.095 4.050 0.045 1
1 328 . 18 1 1 A 27 27 LEU C C 27 177.461 177.630 -0.169 1
1 329 . 18 1 1 A 27 27 LEU CA C 27 56.260 57.330 -1.070 1
1 330 . 18 1 1 A 27 27 LEU CB C 27 42.260 41.306 0.954 1
1 334 . 18 1 1 A 27 27 LEU N N 27 118.633 117.208 1.425 1
1 335 . 18 1 1 A 28 28 HIS H H 28 7.863 7.723 0.140 1
1 336 . 18 1 1 A 28 28 HIS HA H 28 4.482 4.871 -0.389 1
1 341 . 18 1 1 A 28 28 HIS C C 28 174.741 176.307 -1.566 1
1 342 . 18 1 1 A 28 28 HIS CA C 28 56.310 55.969 0.341 1
1 343 . 18 1 1 A 28 28 HIS CB C 28 29.300 29.444 -0.144 1
1 346 . 18 1 1 A 28 28 HIS N N 28 116.767 117.248 -0.481 1
1 347 . 18 1 1 A 29 29 LYS H H 29 7.893 8.365 -0.472 1
1 348 . 18 1 1 A 29 29 LYS HA H 29 4.172 4.028 0.144 1
1 357 . 18 1 1 A 29 29 LYS C C 29 176.357 178.206 -1.849 1
1 358 . 18 1 1 A 29 29 LYS CA C 29 56.830 58.678 -1.848 1
1 359 . 18 1 1 A 29 29 LYS CB C 29 32.000 31.774 0.226 1
1 363 . 18 1 1 A 29 29 LYS N N 29 120.331 118.714 1.617 1
1 364 . 18 1 1 A 30 30 ILE H H 30 7.995 7.624 0.371 1
1 365 . 18 1 1 A 30 30 ILE HA H 30 4.085 3.843 0.242 1
1 375 . 18 1 1 A 30 30 ILE C C 30 176.344 177.540 -1.196 1
1 376 . 18 1 1 A 30 30 ILE CA C 30 61.440 64.336 -2.896 1
1 377 . 18 1 1 A 30 30 ILE CB C 30 39.020 37.503 1.517 1
1 381 . 18 1 1 A 30 30 ILE N N 30 120.440 117.016 3.424 1
1 382 . 18 1 1 A 31 31 GLU H H 31 8.367 8.346 0.021 1
1 383 . 18 1 1 A 31 31 GLU HA H 31 4.159 4.441 -0.282 1
1 388 . 18 1 1 A 31 31 GLU C C 31 176.265 176.239 0.026 1
1 389 . 18 1 1 A 31 31 GLU CA C 31 56.890 57.185 -0.295 1
1 390 . 18 1 1 A 31 31 GLU CB C 31 30.050 30.637 -0.587 1
1 392 . 18 1 1 A 31 31 GLU N N 31 124.043 119.719 4.324 1
1 393 . 18 1 1 A 32 32 ALA H H 32 8.138 7.642 0.496 1
1 394 . 18 1 1 A 32 32 ALA HA H 32 4.175 4.556 -0.381 1
1 398 . 18 1 1 A 32 32 ALA C C 32 177.198 176.867 0.331 1
1 399 . 18 1 1 A 32 32 ALA CA C 32 52.620 51.617 1.003 1
1 400 . 18 1 1 A 32 32 ALA CB C 32 19.490 19.542 -0.052 1
1 401 . 18 1 1 A 32 32 ALA N N 32 124.170 123.668 0.502 1
1 402 . 18 1 1 A 33 33 ASP H H 33 8.157 9.180 -1.023 1
1 403 . 18 1 1 A 33 33 ASP HA H 33 4.467 4.383 0.084 1
1 406 . 18 1 1 A 33 33 ASP C C 33 175.910 176.665 -0.755 1
1 407 . 18 1 1 A 33 33 ASP CA C 33 54.500 56.248 -1.748 1
1 408 . 18 1 1 A 33 33 ASP CB C 33 40.750 40.820 -0.070 1
1 409 . 18 1 1 A 33 33 ASP N N 33 118.904 125.178 -6.274 1
1 410 . 18 1 1 A 34 34 PHE H H 34 7.884 7.659 0.225 1
1 411 . 18 1 1 A 34 34 PHE HA H 34 4.514 4.627 -0.113 1
1 418 . 18 1 1 A 34 34 PHE C C 34 175.319 176.054 -0.735 1
1 419 . 18 1 1 A 34 34 PHE CA C 34 57.610 57.757 -0.147 1
1 420 . 18 1 1 A 34 34 PHE CB C 34 39.840 38.181 1.659 1
1 423 . 18 1 1 A 34 34 PHE N N 34 119.439 118.237 1.202 1
1 424 . 18 1 1 A 35 35 GLU H H 35 8.084 8.507 -0.423 1
1 425 . 18 1 1 A 35 35 GLU HA H 35 4.190 4.146 0.044 1
1 430 . 18 1 1 A 35 35 GLU C C 35 175.634 176.346 -0.712 1
1 431 . 18 1 1 A 35 35 GLU CA C 35 56.140 59.202 -3.062 1
1 432 . 18 1 1 A 35 35 GLU CB C 35 30.810 29.172 1.638 1
1 434 . 18 1 1 A 35 35 GLU N N 35 122.340 126.329 -3.989 1
1 435 . 18 1 1 A 36 36 GLU H H 36 8.172 8.093 0.079 1
1 436 . 18 1 1 A 36 36 GLU HA H 36 4.442 4.086 0.356 1
1 441 . 18 1 1 A 36 36 GLU CA C 36 54.300 56.918 -2.618 1
1 442 . 18 1 1 A 36 36 GLU CB C 36 29.490 28.517 0.973 1
1 444 . 18 1 1 A 36 36 GLU N N 36 123.278 117.858 5.420 1
1 445 . 18 1 1 A 37 37 PRO HA H 37 4.339 4.579 -0.240 1
1 452 . 18 1 1 A 37 37 PRO C C 37 175.818 175.857 -0.039 1
1 453 . 18 1 1 A 37 37 PRO CA C 37 62.800 62.365 0.435 1
1 454 . 18 1 1 A 37 37 PRO CB C 37 31.900 33.127 -1.227 1
1 457 . 18 1 1 A 38 38 ARG H H 38 8.412 8.566 -0.154 1
1 458 . 18 1 1 A 38 38 ARG HA H 38 4.255 4.357 -0.102 1
1 465 . 18 1 1 A 38 38 ARG C C 38 175.818 174.958 0.860 1
1 466 . 18 1 1 A 38 38 ARG CA C 38 55.350 55.861 -0.511 1
1 467 . 18 1 1 A 38 38 ARG CB C 38 31.010 29.795 1.215 1
1 470 . 18 1 1 A 38 38 ARG N N 38 121.791 121.235 0.556 1
1 471 . 18 1 1 A 39 39 ASN H H 39 8.624 8.151 0.473 1
1 472 . 18 1 1 A 39 39 ASN HA H 39 4.906 5.239 -0.333 1
1 477 . 18 1 1 A 39 39 ASN CA C 39 51.100 49.655 1.445 1
1 478 . 18 1 1 A 39 39 ASN CB C 39 38.560 39.840 -1.280 1
1 479 . 18 1 1 A 39 39 ASN N N 39 121.594 124.400 -2.806 1
1 481 . 18 1 1 A 40 40 PRO HA H 40 4.310 4.240 0.070 1
1 488 . 18 1 1 A 40 40 PRO C C 40 176.896 177.402 -0.506 1
1 489 . 18 1 1 A 40 40 PRO CA C 40 63.970 65.628 -1.658 1
1 490 . 18 1 1 A 40 40 PRO CB C 40 32.210 31.608 0.602 1
1 493 . 18 1 1 A 41 41 ASP H H 41 8.219 8.195 0.024 1
1 494 . 18 1 1 A 41 41 ASP HA H 41 4.516 4.550 -0.034 1
1 497 . 18 1 1 A 41 41 ASP C C 41 176.252 175.496 0.756 1
1 498 . 18 1 1 A 41 41 ASP CA C 41 54.740 54.481 0.259 1
1 499 . 18 1 1 A 41 41 ASP CB C 41 41.100 40.277 0.823 1
1 500 . 18 1 1 A 41 41 ASP N N 41 118.818 118.978 -0.160 1
1 501 . 18 1 1 A 42 42 ASP H H 42 7.949 8.887 -0.938 1
1 502 . 18 1 1 A 42 42 ASP HA H 42 4.516 4.552 -0.036 1
1 505 . 18 1 1 A 42 42 ASP C C 42 176.567 176.531 0.036 1
1 506 . 18 1 1 A 42 42 ASP CA C 42 54.910 56.059 -1.149 1
1 507 . 18 1 1 A 42 42 ASP CB C 42 41.100 41.101 -0.001 1
1 508 . 18 1 1 A 42 42 ASP N N 42 120.104 124.066 -3.962 1
1 509 . 18 1 1 A 43 43 GLU H H 43 8.179 7.781 0.398 1
1 510 . 18 1 1 A 43 43 GLU HA H 43 4.153 4.444 -0.291 1
1 515 . 18 1 1 A 43 43 GLU C C 43 176.488 176.352 0.136 1
1 516 . 18 1 1 A 43 43 GLU CA C 43 57.070 56.489 0.581 1
1 517 . 18 1 1 A 43 43 GLU CB C 43 30.430 31.417 -0.987 1
1 519 . 18 1 1 A 43 43 GLU N N 43 121.153 114.375 6.778 1
1 520 . 18 1 1 A 44 44 ASP H H 44 8.325 7.933 0.392 1
1 521 . 18 1 1 A 44 44 ASP HA H 44 4.517 4.293 0.224 1
1 524 . 18 1 1 A 44 44 ASP C C 44 176.462 175.865 0.597 1
1 525 . 18 1 1 A 44 44 ASP CA C 44 54.360 54.771 -0.411 1
1 526 . 18 1 1 A 44 44 ASP CB C 44 41.030 39.385 1.645 1
1 527 . 18 1 1 A 44 44 ASP N N 44 121.100 119.791 1.309 1
1 528 . 18 1 1 A 45 45 ARG H H 45 8.106 8.258 -0.152 1
1 529 . 18 1 1 A 45 45 ARG HA H 45 4.252 4.527 -0.275 1
1 536 . 18 1 1 A 45 45 ARG C C 45 176.475 177.106 -0.631 1
1 537 . 18 1 1 A 45 45 ARG CA C 45 56.000 55.250 0.750 1
1 538 . 18 1 1 A 45 45 ARG CB C 45 30.360 31.834 -1.474 1
1 541 . 18 1 1 A 45 45 ARG N N 45 121.258 127.573 -6.315 1
1 542 . 18 1 1 A 46 46 ALA H H 46 8.235 7.393 0.842 1
1 543 . 18 1 1 A 46 46 ALA HA H 46 4.220 4.285 -0.065 1
1 547 . 18 1 1 A 46 46 ALA C C 46 178.196 177.563 0.633 1
1 548 . 18 1 1 A 46 46 ALA CA C 46 53.070 52.925 0.145 1
1 549 . 18 1 1 A 46 46 ALA CB C 46 18.840 19.624 -0.784 1
1 550 . 18 1 1 A 46 46 ALA N N 46 124.506 122.633 1.873 1
1 551 . 18 1 1 A 47 47 SER H H 47 8.150 7.216 0.934 1
1 552 . 18 1 1 A 47 47 SER HA H 47 4.331 4.265 0.066 1
1 555 . 18 1 1 A 47 47 SER C C 47 174.727 173.821 0.906 1
1 556 . 18 1 1 A 47 47 SER CA C 47 58.820 57.681 1.139 1
1 557 . 18 1 1 A 47 47 SER CB C 47 63.520 62.284 1.236 1
1 558 . 18 1 1 A 47 47 SER N N 47 114.398 112.213 2.185 1
1 559 . 18 1 1 A 48 48 GLU H H 48 8.235 8.053 0.182 1
1 560 . 18 1 1 A 48 48 GLU HA H 48 4.244 4.533 -0.289 1
1 565 . 18 1 1 A 48 48 GLU C C 48 176.396 175.587 0.809 1
1 566 . 18 1 1 A 48 48 GLU CA C 48 56.550 54.104 2.446 1
1 567 . 18 1 1 A 48 48 GLU CB C 48 30.330 30.700 -0.370 1
1 569 . 18 1 1 A 48 48 GLU N N 48 122.340 123.316 -0.976 1
1 570 . 18 1 1 A 49 49 ARG H H 49 8.174 8.679 -0.505 1
1 571 . 18 1 1 A 49 49 ARG HA H 49 4.339 4.015 0.324 1
1 578 . 18 1 1 A 49 49 ARG C C 49 176.344 175.475 0.869 1
1 579 . 18 1 1 A 49 49 ARG CA C 49 55.900 56.921 -1.021 1
1 580 . 18 1 1 A 49 49 ARG CB C 49 30.980 29.188 1.792 1
1 583 . 18 1 1 A 49 49 ARG N N 49 121.431 117.929 3.502 1
1 584 . 18 1 1 A 50 50 SER H H 50 8.389 8.203 0.186 1
1 585 . 18 1 1 A 50 50 SER HA H 50 4.392 4.677 -0.285 1
1 588 . 18 1 1 A 50 50 SER C C 50 174.517 174.003 0.514 1
1 589 . 18 1 1 A 50 50 SER CA C 50 58.230 57.556 0.674 1
1 590 . 18 1 1 A 50 50 SER CB C 50 64.010 63.899 0.111 1
1 591 . 18 1 1 A 50 50 SER N N 50 117.321 117.648 -0.327 1
1 592 . 18 1 1 A 51 51 ASN H H 51 8.488 8.559 -0.071 1
1 593 . 18 1 1 A 51 51 ASN HA H 51 4.657 4.577 0.080 1
1 598 . 18 1 1 A 51 51 ASN C C 51 175.122 175.422 -0.300 1
1 599 . 18 1 1 A 51 51 ASN CA C 51 53.780 53.329 0.451 1
1 600 . 18 1 1 A 51 51 ASN CB C 51 38.770 37.672 1.098 1
1 601 . 18 1 1 A 51 51 ASN N N 51 120.903 123.503 -2.600 1
1 603 . 18 1 1 A 52 52 ASP H H 52 8.231 8.469 -0.238 1
1 604 . 18 1 1 A 52 52 ASP HA H 52 4.517 4.400 0.117 1
1 607 . 18 1 1 A 52 52 ASP C C 52 176.291 176.736 -0.445 1
1 608 . 18 1 1 A 52 52 ASP CA C 52 54.500 57.172 -2.672 1
1 609 . 18 1 1 A 52 52 ASP CB C 52 41.170 40.910 0.260 1
1 610 . 18 1 1 A 52 52 ASP N N 52 120.236 126.836 -6.600 1
1 611 . 18 1 1 A 53 53 GLU H H 53 8.139 7.591 0.548 1
1 612 . 18 1 1 A 53 53 GLU HA H 53 4.194 4.450 -0.256 1
1 617 . 18 1 1 A 53 53 GLU C C 53 176.606 176.060 0.546 1
1 618 . 18 1 1 A 53 53 GLU CA C 53 56.930 56.628 0.302 1
1 619 . 18 1 1 A 53 53 GLU CB C 53 30.500 30.067 0.433 1
1 621 . 18 1 1 A 53 53 GLU N N 53 120.655 118.681 1.974 1
1 622 . 18 1 1 A 54 54 VAL H H 54 8.061 8.907 -0.846 1
1 623 . 18 1 1 A 54 54 VAL HA H 54 3.978 4.090 -0.112 1
1 631 . 18 1 1 A 54 54 VAL C C 54 176.278 176.381 -0.103 1
1 632 . 18 1 1 A 54 54 VAL CA C 54 62.880 64.672 -1.792 1
1 633 . 18 1 1 A 54 54 VAL CB C 54 32.660 32.125 0.535 1
1 636 . 18 1 1 A 54 54 VAL N N 54 121.320 125.199 -3.879 1
1 637 . 18 1 1 A 55 55 LEU H H 55 8.209 8.044 0.165 1
1 638 . 18 1 1 A 55 55 LEU HA H 55 4.273 4.039 0.234 1
1 648 . 18 1 1 A 55 55 LEU C C 55 177.355 176.546 0.809 1
1 649 . 18 1 1 A 55 55 LEU CA C 55 55.290 55.652 -0.362 1
1 650 . 18 1 1 A 55 55 LEU CB C 55 42.190 40.676 1.514 1
1 654 . 18 1 1 A 55 55 LEU N N 55 125.139 122.091 3.048 1
1 655 . 18 1 1 A 56 56 ASP H H 56 8.204 8.493 -0.289 1
1 656 . 18 1 1 A 56 56 ASP HA H 56 4.516 4.547 -0.031 1
1 659 . 18 1 1 A 56 56 ASP C C 56 176.633 176.754 -0.121 1
1 660 . 18 1 1 A 56 56 ASP CA C 56 54.360 55.411 -1.051 1
1 661 . 18 1 1 A 56 56 ASP CB C 56 41.070 40.458 0.612 1
1 662 . 18 1 1 A 56 56 ASP N N 56 121.154 126.331 -5.177 1
1 663 . 18 1 1 A 57 57 GLU H H 57 8.316 8.103 0.213 1
1 664 . 18 1 1 A 57 57 GLU HA H 57 4.164 4.358 -0.194 1
1 669 . 18 1 1 A 57 57 GLU C C 57 177.158 176.742 0.416 1
1 670 . 18 1 1 A 57 57 GLU CA C 57 57.650 56.966 0.684 1
1 671 . 18 1 1 A 57 57 GLU CB C 57 30.020 29.930 0.090 1
1 673 . 18 1 1 A 57 57 GLU N N 57 120.771 117.687 3.084 1
1 674 . 18 1 1 A 58 58 LEU H H 58 8.204 6.921 1.283 1
1 675 . 18 1 1 A 58 58 LEU HA H 58 4.231 4.149 0.082 1
1 685 . 18 1 1 A 58 58 LEU C C 58 178.538 177.409 1.129 1
1 686 . 18 1 1 A 58 58 LEU CA C 58 55.690 54.846 0.844 1
1 687 . 18 1 1 A 58 58 LEU CB C 58 42.230 41.946 0.284 1
1 691 . 18 1 1 A 58 58 LEU N N 58 120.716 121.818 -1.102 1
1 692 . 18 1 1 A 59 59 GLY H H 59 8.212 8.410 -0.198 1
1 693 . 18 1 1 A 59 59 GLY HA2 H 59 3.917 4.045 -0.128 1
1 694 . 18 1 1 A 59 59 GLY HA3 H 59 3.917 4.049 -0.132 1
1 695 . 18 1 1 A 59 59 GLY C C 59 174.294 175.362 -1.068 1
1 696 . 18 1 1 A 59 59 GLY CA C 59 45.550 45.292 0.258 1
1 697 . 18 1 1 A 59 59 GLY N N 59 108.670 109.850 -1.180 1
1 698 . 18 1 1 A 60 60 GLN H H 60 8.310 8.768 -0.458 1
1 699 . 18 1 1 A 60 60 GLN HA H 60 4.079 3.876 0.203 1
1 706 . 18 1 1 A 60 60 GLN C C 60 177.171 177.539 -0.368 1
1 707 . 18 1 1 A 60 60 GLN CA C 60 57.590 59.093 -1.503 1
1 708 . 18 1 1 A 60 60 GLN CB C 60 28.960 28.950 0.010 1
1 710 . 18 1 1 A 60 60 GLN N N 60 120.662 121.313 -0.651 1
1 712 . 18 1 1 A 61 61 VAL H H 61 8.136 8.242 -0.106 1
1 713 . 18 1 1 A 61 61 VAL HA H 61 3.971 3.722 0.249 1
1 721 . 18 1 1 A 61 61 VAL C C 61 178.262 178.373 -0.111 1
1 722 . 18 1 1 A 61 61 VAL CA C 61 64.420 66.062 -1.642 1
1 723 . 18 1 1 A 61 61 VAL CB C 61 32.110 30.923 1.187 1
1 726 . 18 1 1 A 61 61 VAL N N 61 119.154 118.708 0.446 1
1 727 . 18 1 1 A 62 62 GLY H H 62 8.183 8.473 -0.290 1
1 728 . 18 1 1 A 62 62 GLY HA2 H 62 3.966 3.667 0.299 1
1 729 . 18 1 1 A 62 62 GLY HA3 H 62 3.783 3.678 0.105 1
1 730 . 18 1 1 A 62 62 GLY C C 62 174.872 175.874 -1.002 1
1 731 . 18 1 1 A 62 62 GLY CA C 62 46.780 47.243 -0.463 1
1 732 . 18 1 1 A 62 62 GLY N N 62 110.813 108.328 2.485 1
1 733 . 18 1 1 A 63 63 GLN H H 63 8.235 7.855 0.380 1
1 734 . 18 1 1 A 63 63 GLN HA H 63 3.966 3.969 -0.003 1
1 741 . 18 1 1 A 63 63 GLN C C 63 178.170 178.166 0.004 1
1 742 . 18 1 1 A 63 63 GLN CA C 63 58.990 58.742 0.248 1
1 743 . 18 1 1 A 63 63 GLN CB C 63 28.500 28.430 0.070 1
1 745 . 18 1 1 A 63 63 GLN N N 63 120.667 122.037 -1.370 1
1 747 . 18 1 1 A 64 64 ASP H H 64 8.386 8.271 0.115 1
1 748 . 18 1 1 A 64 64 ASP HA H 64 4.347 4.381 -0.034 1
1 751 . 18 1 1 A 64 64 ASP C C 64 178.669 178.759 -0.090 1
1 752 . 18 1 1 A 64 64 ASP CA C 64 56.860 57.166 -0.306 1
1 753 . 18 1 1 A 64 64 ASP CB C 64 39.970 40.155 -0.185 1
1 754 . 18 1 1 A 64 64 ASP N N 64 120.058 119.935 0.123 1
1 755 . 18 1 1 A 65 65 GLU H H 65 7.992 7.843 0.149 1
1 756 . 18 1 1 A 65 65 GLU HA H 65 3.542 3.950 -0.408 1
1 761 . 18 1 1 A 65 65 GLU C C 65 177.842 178.990 -1.148 1
1 762 . 18 1 1 A 65 65 GLU CA C 65 59.560 58.721 0.839 1
1 763 . 18 1 1 A 65 65 GLU CB C 65 29.100 29.305 -0.205 1
1 765 . 18 1 1 A 65 65 GLU N N 65 123.846 119.652 4.194 1
1 766 . 18 1 1 A 66 66 LEU H H 66 8.100 8.538 -0.438 1
1 767 . 18 1 1 A 66 66 LEU HA H 66 3.783 3.883 -0.100 1
1 777 . 18 1 1 A 66 66 LEU C C 66 178.893 179.225 -0.332 1
1 778 . 18 1 1 A 66 66 LEU CA C 66 58.610 57.952 0.658 1
1 779 . 18 1 1 A 66 66 LEU CB C 66 41.510 41.397 0.113 1
1 783 . 18 1 1 A 66 66 LEU N N 66 119.444 120.343 -0.899 1
1 784 . 18 1 1 A 67 67 ARG H H 67 7.870 8.100 -0.230 1
1 785 . 18 1 1 A 67 67 ARG HA H 67 4.095 3.986 0.109 1
1 792 . 18 1 1 A 67 67 ARG C C 67 179.484 178.079 1.405 1
1 793 . 18 1 1 A 67 67 ARG CA C 67 59.490 59.555 -0.065 1
1 794 . 18 1 1 A 67 67 ARG CB C 67 30.230 29.929 0.301 1
1 797 . 18 1 1 A 67 67 ARG N N 67 118.088 119.983 -1.895 1
1 798 . 18 1 1 A 68 68 ALA H H 68 7.820 7.569 0.251 1
1 799 . 18 1 1 A 68 68 ALA HA H 68 4.188 4.038 0.150 1
1 803 . 18 1 1 A 68 68 ALA C C 68 181.626 180.054 1.572 1
1 804 . 18 1 1 A 68 68 ALA CA C 68 54.840 54.904 -0.064 1
1 805 . 18 1 1 A 68 68 ALA CB C 68 18.400 18.147 0.253 1
1 806 . 18 1 1 A 68 68 ALA N N 68 123.318 121.490 1.828 1
1 807 . 18 1 1 A 69 69 ILE H H 69 8.643 7.887 0.756 1
1 808 . 18 1 1 A 69 69 ILE HA H 69 3.539 3.691 -0.152 1
1 818 . 18 1 1 A 69 69 ILE C C 69 177.290 177.544 -0.254 1
1 819 . 18 1 1 A 69 69 ILE CA C 69 66.370 65.455 0.915 1
1 820 . 18 1 1 A 69 69 ILE CB C 69 38.090 38.149 -0.059 1
1 824 . 18 1 1 A 69 69 ILE N N 69 122.954 119.033 3.921 1
1 825 . 18 1 1 A 70 70 ASP H H 70 8.415 8.302 0.113 1
1 826 . 18 1 1 A 70 70 ASP HA H 70 4.336 4.401 -0.065 1
1 829 . 18 1 1 A 70 70 ASP C C 70 179.786 178.929 0.857 1
1 830 . 18 1 1 A 70 70 ASP CA C 70 58.130 56.875 1.255 1
1 831 . 18 1 1 A 70 70 ASP CB C 70 40.310 40.354 -0.044 1
1 832 . 18 1 1 A 70 70 ASP N N 70 121.571 119.676 1.895 1
1 833 . 18 1 1 A 71 71 ALA H H 71 7.869 7.841 0.028 1
1 834 . 18 1 1 A 71 71 ALA HA H 71 4.215 4.142 0.073 1
1 838 . 18 1 1 A 71 71 ALA C C 71 180.246 179.817 0.429 1
1 839 . 18 1 1 A 71 71 ALA CA C 71 54.500 55.031 -0.531 1
1 840 . 18 1 1 A 71 71 ALA CB C 71 17.680 18.427 -0.747 1
1 841 . 18 1 1 A 71 71 ALA N N 71 121.459 122.979 -1.520 1
1 842 . 18 1 1 A 72 72 ALA H H 72 8.263 8.253 0.010 1
1 843 . 18 1 1 A 72 72 ALA HA H 72 4.045 4.306 -0.261 1
1 847 . 18 1 1 A 72 72 ALA C C 72 179.668 179.981 -0.313 1
1 848 . 18 1 1 A 72 72 ALA CA C 72 55.560 55.181 0.379 1
1 849 . 18 1 1 A 72 72 ALA CB C 72 19.870 18.118 1.752 1
1 850 . 18 1 1 A 72 72 ALA N N 72 123.378 120.598 2.780 1
1 851 . 18 1 1 A 73 73 LEU H H 73 8.790 8.027 0.763 1
1 852 . 18 1 1 A 73 73 LEU HA H 73 3.920 3.886 0.034 1
1 862 . 18 1 1 A 73 73 LEU C C 73 180.286 179.100 1.186 1
1 863 . 18 1 1 A 73 73 LEU CA C 73 58.130 57.809 0.321 1
1 864 . 18 1 1 A 73 73 LEU CB C 73 41.200 41.372 -0.172 1
1 868 . 18 1 1 A 73 73 LEU N N 73 119.015 118.963 0.052 1
1 869 . 18 1 1 A 74 74 ALA H H 74 7.931 8.215 -0.284 1
1 870 . 18 1 1 A 74 74 ALA HA H 74 4.273 3.990 0.283 1
1 874 . 18 1 1 A 74 74 ALA C C 74 180.811 179.576 1.235 1
1 875 . 18 1 1 A 74 74 ALA CA C 74 54.960 55.073 -0.113 1
1 876 . 18 1 1 A 74 74 ALA CB C 74 17.690 18.032 -0.342 1
1 877 . 18 1 1 A 74 74 ALA N N 74 124.135 122.030 2.105 1
1 878 . 18 1 1 A 75 75 ARG H H 75 7.898 7.778 0.120 1
1 879 . 18 1 1 A 75 75 ARG HA H 75 4.138 4.118 0.020 1
1 886 . 18 1 1 A 75 75 ARG C C 75 179.721 178.871 0.850 1
1 887 . 18 1 1 A 75 75 ARG CA C 75 60.170 58.686 1.484 1
1 888 . 18 1 1 A 75 75 ARG CB C 75 29.970 29.915 0.055 1
1 891 . 18 1 1 A 75 75 ARG N N 75 120.143 117.335 2.808 1
1 892 . 18 1 1 A 76 76 ILE H H 76 8.061 7.915 0.146 1
1 893 . 18 1 1 A 76 76 ILE HA H 76 3.697 3.683 0.014 1
1 903 . 18 1 1 A 76 76 ILE C C 76 179.392 177.799 1.593 1
1 904 . 18 1 1 A 76 76 ILE CA C 76 66.060 65.746 0.314 1
1 905 . 18 1 1 A 76 76 ILE CB C 76 37.240 38.942 -1.702 1
1 909 . 18 1 1 A 76 76 ILE N N 76 121.537 121.128 0.409 1
1 910 . 18 1 1 A 77 77 ALA H H 77 7.735 8.099 -0.364 1
1 911 . 18 1 1 A 77 77 ALA HA H 77 4.132 4.059 0.073 1
1 915 . 18 1 1 A 77 77 ALA C C 77 179.326 180.473 -1.147 1
1 916 . 18 1 1 A 77 77 ALA CA C 77 54.910 55.278 -0.368 1
1 917 . 18 1 1 A 77 77 ALA CB C 77 17.950 18.207 -0.257 1
1 918 . 18 1 1 A 77 77 ALA N N 77 122.664 122.484 0.180 1
1 919 . 18 1 1 A 78 78 SER H H 78 7.999 7.571 0.428 1
1 920 . 18 1 1 A 78 78 SER HA H 78 4.472 4.524 -0.052 1
1 923 . 18 1 1 A 78 78 SER C C 78 174.675 174.778 -0.103 1
1 924 . 18 1 1 A 78 78 SER CA C 78 59.260 58.523 0.737 1
1 925 . 18 1 1 A 78 78 SER CB C 78 64.070 63.722 0.348 1
1 926 . 18 1 1 A 78 78 SER N N 78 111.061 110.799 0.262 1
1 927 . 18 1 1 A 79 79 GLY H H 79 7.844 7.540 0.304 1
1 928 . 18 1 1 A 79 79 GLY HA2 H 79 4.233 3.939 0.294 1
1 929 . 18 1 1 A 79 79 GLY HA3 H 79 4.087 3.957 0.130 1
1 930 . 18 1 1 A 79 79 GLY C C 79 175.687 174.224 1.463 1
1 931 . 18 1 1 A 79 79 GLY CA C 79 46.470 45.757 0.713 1
1 932 . 18 1 1 A 79 79 GLY N N 79 109.909 109.017 0.892 1
1 933 . 18 1 1 A 80 80 THR H H 80 8.408 7.764 0.644 1
1 934 . 18 1 1 A 80 80 THR HA H 80 4.504 4.416 0.088 1
1 939 . 18 1 1 A 80 80 THR C C 80 174.793 174.346 0.447 1
1 940 . 18 1 1 A 80 80 THR CA C 80 60.280 61.678 -1.398 1
1 941 . 18 1 1 A 80 80 THR CB C 80 69.000 69.245 -0.245 1
1 943 . 18 1 1 A 80 80 THR N N 80 109.416 115.887 -6.471 1
1 944 . 18 1 1 A 81 81 PHE H H 81 7.610 7.603 0.007 1
1 945 . 18 1 1 A 81 81 PHE HA H 81 3.944 4.236 -0.292 1
1 950 . 18 1 1 A 81 81 PHE C C 81 176.462 176.903 -0.441 1
1 951 . 18 1 1 A 81 81 PHE CA C 81 59.940 59.867 0.073 1
1 952 . 18 1 1 A 81 81 PHE CB C 81 39.700 38.840 0.860 1
1 954 . 18 1 1 A 81 81 PHE N N 81 123.672 123.163 0.509 1
1 955 . 18 1 1 A 82 82 GLY H H 82 8.827 8.016 0.811 1
1 956 . 18 1 1 A 82 82 GLY HA2 H 82 4.000 3.384 0.616 1
1 957 . 18 1 1 A 82 82 GLY HA3 H 82 2.606 3.642 -1.036 1
1 958 . 18 1 1 A 82 82 GLY C C 82 172.388 173.703 -1.315 1
1 959 . 18 1 1 A 82 82 GLY CA C 82 44.590 45.721 -1.131 1
1 960 . 18 1 1 A 82 82 GLY N N 82 115.493 113.768 1.725 1
1 961 . 18 1 1 A 83 83 THR H H 83 7.265 7.526 -0.261 1
1 962 . 18 1 1 A 83 83 THR HA H 83 4.418 4.488 -0.070 1
1 967 . 18 1 1 A 83 83 THR C C 83 173.808 172.927 0.881 1
1 968 . 18 1 1 A 83 83 THR CA C 83 61.180 61.099 0.081 1
1 969 . 18 1 1 A 83 83 THR CB C 83 70.020 70.436 -0.416 1
1 971 . 18 1 1 A 83 83 THR N N 83 115.366 114.691 0.675 1
1 972 . 18 1 1 A 84 84 CYS H H 84 9.410 8.565 0.845 1
1 973 . 18 1 1 A 84 84 CYS HA H 84 4.339 4.641 -0.302 1
1 976 . 18 1 1 A 84 84 CYS C C 84 177.986 175.521 2.465 1
1 977 . 18 1 1 A 84 84 CYS CA C 84 60.080 58.678 1.402 1
1 978 . 18 1 1 A 84 84 CYS CB C 84 30.630 27.395 3.235 1
1 979 . 18 1 1 A 84 84 CYS N N 84 131.144 126.351 4.793 1
1 980 . 18 1 1 A 85 85 VAL H H 85 8.461 8.035 0.426 1
1 981 . 18 1 1 A 85 85 VAL HA H 85 3.918 3.711 0.207 1
1 989 . 18 1 1 A 85 85 VAL C C 85 175.608 177.541 -1.933 1
1 990 . 18 1 1 A 85 85 VAL CA C 85 64.080 65.193 -1.113 1
1 991 . 18 1 1 A 85 85 VAL CB C 85 31.730 31.267 0.463 1
1 994 . 18 1 1 A 85 85 VAL N N 85 126.221 125.021 1.200 1
1 995 . 18 1 1 A 86 86 LYS H H 86 8.924 8.055 0.869 1
1 996 . 18 1 1 A 86 86 LYS HA H 86 4.496 4.124 0.372 1
1 1005 . 18 1 1 A 86 86 LYS C C 86 177.277 177.691 -0.414 1
1 1006 . 18 1 1 A 86 86 LYS CA C 86 58.500 58.506 -0.006 1
1 1007 . 18 1 1 A 86 86 LYS CB C 86 33.780 32.503 1.277 1
1 1011 . 18 1 1 A 86 86 LYS N N 86 123.551 122.047 1.504 1
1 1012 . 18 1 1 A 87 87 CYS H H 87 8.264 7.436 0.828 1
1 1013 . 18 1 1 A 87 87 CYS HA H 87 4.925 4.632 0.293 1
1 1016 . 18 1 1 A 87 87 CYS C C 87 177.211 175.584 1.627 1
1 1017 . 18 1 1 A 87 87 CYS CA C 87 58.980 58.458 0.522 1
1 1018 . 18 1 1 A 87 87 CYS CB C 87 33.100 29.390 3.710 1
1 1019 . 18 1 1 A 87 87 CYS N N 87 117.502 114.896 2.606 1
1 1020 . 18 1 1 A 88 88 GLY H H 88 7.655 7.905 -0.250 1
1 1021 . 18 1 1 A 88 88 GLY HA2 H 88 4.159 3.946 0.213 1
1 1022 . 18 1 1 A 88 88 GLY HA3 H 88 3.729 3.949 -0.220 1
1 1023 . 18 1 1 A 88 88 GLY C C 88 173.558 174.121 -0.563 1
1 1024 . 18 1 1 A 88 88 GLY CA C 88 46.300 46.099 0.201 1
1 1025 . 18 1 1 A 88 88 GLY N N 88 111.948 111.880 0.068 1
1 1026 . 18 1 1 A 89 89 LYS H H 89 8.721 7.563 1.158 1
1 1027 . 18 1 1 A 89 89 LYS HA H 89 4.315 4.654 -0.339 1
1 1036 . 18 1 1 A 89 89 LYS C C 89 176.659 175.942 0.717 1
1 1037 . 18 1 1 A 89 89 LYS CA C 89 56.860 54.301 2.559 1
1 1038 . 18 1 1 A 89 89 LYS CB C 89 33.540 34.262 -0.722 1
1 1042 . 18 1 1 A 89 89 LYS N N 89 123.614 119.429 4.185 1
1 1043 . 18 1 1 A 90 90 ARG H H 90 8.415 8.447 -0.032 1
1 1044 . 18 1 1 A 90 90 ARG HA H 90 4.299 4.383 -0.084 1
1 1051 . 18 1 1 A 90 90 ARG C C 90 176.041 177.103 -1.062 1
1 1052 . 18 1 1 A 90 90 ARG CA C 90 56.030 55.993 0.037 1
1 1053 . 18 1 1 A 90 90 ARG CB C 90 29.470 30.840 -1.370 1
1 1056 . 18 1 1 A 90 90 ARG N N 90 121.880 121.140 0.740 1
1 1057 . 18 1 1 A 91 91 ILE H H 91 8.334 8.453 -0.119 1
1 1058 . 18 1 1 A 91 91 ILE HA H 91 3.668 4.154 -0.486 1
1 1068 . 18 1 1 A 91 91 ILE C C 91 175.003 176.451 -1.448 1
1 1069 . 18 1 1 A 91 91 ILE CA C 91 61.810 61.152 0.658 1
1 1070 . 18 1 1 A 91 91 ILE CB C 91 38.920 37.997 0.923 1
1 1074 . 18 1 1 A 91 91 ILE N N 91 128.410 122.863 5.547 1
1 1075 . 18 1 1 A 92 92 SER H H 92 8.551 8.843 -0.292 1
1 1076 . 18 1 1 A 92 92 SER HA H 92 4.180 4.442 -0.262 1
1 1079 . 18 1 1 A 92 92 SER C C 92 175.108 175.010 0.098 1
1 1080 . 18 1 1 A 92 92 SER CA C 92 58.460 58.025 0.435 1
1 1081 . 18 1 1 A 92 92 SER CB C 92 64.180 64.136 0.044 1
1 1082 . 18 1 1 A 92 92 SER N N 92 124.170 120.704 3.466 1
1 1083 . 18 1 1 A 93 93 GLU H H 93 8.912 8.966 -0.054 1
1 1084 . 18 1 1 A 93 93 GLU HA H 93 3.939 4.011 -0.072 1
1 1089 . 18 1 1 A 93 93 GLU C C 93 178.144 177.905 0.239 1
1 1090 . 18 1 1 A 93 93 GLU CA C 93 60.080 59.379 0.701 1
1 1091 . 18 1 1 A 93 93 GLU CB C 93 29.960 29.337 0.623 1
1 1093 . 18 1 1 A 93 93 GLU N N 93 123.996 124.459 -0.463 1
1 1094 . 18 1 1 A 94 94 ASP H H 94 8.311 8.242 0.069 1
1 1095 . 18 1 1 A 94 94 ASP HA H 94 4.252 4.462 -0.210 1
1 1098 . 18 1 1 A 94 94 ASP C C 94 178.472 178.815 -0.343 1
1 1099 . 18 1 1 A 94 94 ASP CA C 94 57.240 56.700 0.540 1
1 1100 . 18 1 1 A 94 94 ASP CB C 94 40.420 40.062 0.358 1
1 1101 . 18 1 1 A 94 94 ASP N N 94 116.432 120.039 -3.607 1
1 1102 . 18 1 1 A 95 95 ARG H H 95 7.365 7.947 -0.582 1
1 1103 . 18 1 1 A 95 95 ARG HA H 95 4.067 4.116 -0.049 1
1 1110 . 18 1 1 A 95 95 ARG C C 95 177.237 178.365 -1.128 1
1 1111 . 18 1 1 A 95 95 ARG CA C 95 58.870 58.272 0.598 1
1 1112 . 18 1 1 A 95 95 ARG CB C 95 29.100 29.833 -0.733 1
1 1115 . 18 1 1 A 95 95 ARG N N 95 121.517 120.935 0.582 1
1 1116 . 18 1 1 A 96 96 LEU H H 96 7.831 7.840 -0.009 1
1 1117 . 18 1 1 A 96 96 LEU HA H 96 3.735 3.980 -0.245 1
1 1127 . 18 1 1 A 96 96 LEU C C 96 177.855 179.429 -1.574 1
1 1128 . 18 1 1 A 96 96 LEU CA C 96 56.930 57.013 -0.083 1
1 1129 . 18 1 1 A 96 96 LEU CB C 96 41.300 41.100 0.200 1
1 1133 . 18 1 1 A 96 96 LEU N N 96 119.073 119.254 -0.181 1
1 1134 . 18 1 1 A 97 97 LYS H H 97 8.098 8.557 -0.459 1
1 1135 . 18 1 1 A 97 97 LYS HA H 97 4.014 4.332 -0.318 1
1 1144 . 18 1 1 A 97 97 LYS C C 97 178.433 178.745 -0.312 1
1 1145 . 18 1 1 A 97 97 LYS CA C 97 59.080 58.994 0.086 1
1 1146 . 18 1 1 A 97 97 LYS CB C 97 32.830 31.797 1.033 1
1 1150 . 18 1 1 A 97 97 LYS N N 97 114.647 118.236 -3.589 1
1 1151 . 18 1 1 A 98 98 ALA H H 98 7.011 7.329 -0.318 1
1 1152 . 18 1 1 A 98 98 ALA HA H 98 4.196 4.290 -0.094 1
1 1156 . 18 1 1 A 98 98 ALA C C 98 178.814 177.448 1.366 1
1 1157 . 18 1 1 A 98 98 ALA CA C 98 54.480 54.073 0.407 1
1 1158 . 18 1 1 A 98 98 ALA CB C 98 19.380 19.531 -0.151 1
1 1159 . 18 1 1 A 98 98 ALA N N 98 119.536 120.920 -1.384 1
1 1160 . 18 1 1 A 99 99 VAL H H 99 8.133 7.864 0.269 1
1 1161 . 18 1 1 A 99 99 VAL HA H 99 4.098 4.226 -0.128 1
1 1169 . 18 1 1 A 99 99 VAL CA C 99 58.260 58.709 -0.449 1
1 1170 . 18 1 1 A 99 99 VAL CB C 99 32.530 31.973 0.557 1
1 1173 . 18 1 1 A 99 99 VAL N N 99 114.735 116.969 -2.234 1
1 1174 . 18 1 1 A 100 100 PRO HA H 100 4.761 4.319 0.442 1
1 1181 . 18 1 1 A 100 100 PRO C C 100 175.437 177.147 -1.710 1
1 1182 . 18 1 1 A 100 100 PRO CA C 100 65.370 63.997 1.373 1
1 1183 . 18 1 1 A 100 100 PRO CB C 100 31.190 31.998 -0.808 1
1 1186 . 18 1 1 A 101 101 TYR H H 101 6.053 7.455 -1.402 1
1 1187 . 18 1 1 A 101 101 TYR HA H 101 4.463 4.644 -0.181 1
1 1194 . 18 1 1 A 101 101 TYR C C 101 175.871 176.162 -0.291 1
1 1195 . 18 1 1 A 101 101 TYR CA C 101 53.920 57.419 -3.499 1
1 1196 . 18 1 1 A 101 101 TYR CB C 101 38.230 39.084 -0.854 1
1 1199 . 18 1 1 A 101 101 TYR N N 101 108.211 115.431 -7.220 1
1 1200 . 18 1 1 A 102 102 THR H H 102 7.466 7.399 0.067 1
1 1201 . 18 1 1 A 102 102 THR HA H 102 4.384 4.475 -0.091 1
1 1206 . 18 1 1 A 102 102 THR CA C 102 60.030 59.163 0.867 1
1 1207 . 18 1 1 A 102 102 THR CB C 102 69.600 69.708 -0.108 1
1 1209 . 18 1 1 A 102 102 THR N N 102 120.556 115.543 5.013 1
1 1210 . 18 1 1 A 103 103 PRO HA H 103 4.244 4.354 -0.110 1
1 1217 . 18 1 1 A 103 103 PRO C C 103 176.344 175.589 0.755 1
1 1218 . 18 1 1 A 103 103 PRO CA C 103 62.400 63.598 -1.198 1
1 1219 . 18 1 1 A 103 103 PRO CB C 103 32.250 31.492 0.758 1
1 1222 . 18 1 1 A 104 104 PHE H H 104 7.365 6.771 0.594 1
1 1223 . 18 1 1 A 104 104 PHE HA H 104 6.207 5.045 1.162 1
1 1230 . 18 1 1 A 104 104 PHE C C 104 176.133 175.762 0.371 1
1 1231 . 18 1 1 A 104 104 PHE CA C 104 55.220 56.234 -1.014 1
1 1232 . 18 1 1 A 104 104 PHE CB C 104 44.480 41.422 3.058 1
1 1235 . 18 1 1 A 104 104 PHE N N 104 115.933 118.217 -2.284 1
1 1236 . 18 1 1 A 105 105 CYS H H 105 9.248 8.774 0.474 1
1 1237 . 18 1 1 A 105 105 CYS HA H 105 4.638 4.677 -0.039 1
1 1240 . 18 1 1 A 105 105 CYS C C 105 174.254 175.727 -1.473 1
1 1241 . 18 1 1 A 105 105 CYS CA C 105 58.060 57.928 0.132 1
1 1242 . 18 1 1 A 105 105 CYS CB C 105 31.250 30.056 1.194 1
1 1243 . 18 1 1 A 105 105 CYS N N 105 118.999 120.928 -1.929 1
1 1244 . 18 1 1 A 106 106 GLN H H 106 8.865 8.957 -0.092 1
1 1245 . 18 1 1 A 106 106 GLN HA H 106 3.611 3.956 -0.345 1
1 1252 . 18 1 1 A 106 106 GLN C C 106 177.250 177.734 -0.484 1
1 1253 . 18 1 1 A 106 106 GLN CA C 106 59.430 59.277 0.153 1
1 1254 . 18 1 1 A 106 106 GLN CB C 106 28.750 28.551 0.199 1
1 1256 . 18 1 1 A 106 106 GLN N N 106 119.606 122.416 -2.810 1
1 1258 . 18 1 1 A 107 107 GLU H H 107 8.134 8.282 -0.148 1
1 1259 . 18 1 1 A 107 107 GLU HA H 107 3.959 4.006 -0.047 1
1 1264 . 18 1 1 A 107 107 GLU C C 107 179.616 179.354 0.262 1
1 1265 . 18 1 1 A 107 107 GLU CA C 107 60.110 59.240 0.870 1
1 1266 . 18 1 1 A 107 107 GLU CB C 107 29.990 29.807 0.183 1
1 1268 . 18 1 1 A 107 107 GLU N N 107 119.554 119.098 0.456 1
1 1269 . 18 1 1 A 108 108 CYS H H 108 8.681 8.320 0.361 1
1 1270 . 18 1 1 A 108 108 CYS HA H 108 3.783 4.060 -0.277 1
1 1273 . 18 1 1 A 108 108 CYS C C 108 177.868 176.865 1.003 1
1 1274 . 18 1 1 A 108 108 CYS CA C 108 64.110 63.325 0.785 1
1 1275 . 18 1 1 A 108 108 CYS CB C 108 29.270 26.800 2.470 1
1 1276 . 18 1 1 A 108 108 CYS N N 108 123.406 118.699 4.707 1
1 1277 . 18 1 1 A 109 109 ALA H H 109 8.094 8.176 -0.082 1
1 1278 . 18 1 1 A 109 109 ALA HA H 109 3.693 4.059 -0.366 1
1 1282 . 18 1 1 A 109 109 ALA C C 109 178.591 179.915 -1.324 1
1 1283 . 18 1 1 A 109 109 ALA CA C 109 53.710 55.027 -1.317 1
1 1284 . 18 1 1 A 109 109 ALA CB C 109 18.430 18.299 0.131 1
1 1285 . 18 1 1 A 109 109 ALA N N 109 120.579 122.322 -1.743 1
1 1286 . 18 1 1 A 110 110 ALA H H 110 7.402 8.018 -0.616 1
1 1287 . 18 1 1 A 110 110 ALA HA H 110 4.111 4.193 -0.082 1
1 1291 . 18 1 1 A 110 110 ALA C C 110 177.408 180.064 -2.656 1
1 1292 . 18 1 1 A 110 110 ALA CA C 110 53.000 54.953 -1.953 1
1 1293 . 18 1 1 A 110 110 ALA CB C 110 18.710 18.374 0.336 1
1 1294 . 18 1 1 A 110 110 ALA N N 110 118.992 119.879 -0.887 1
1 1295 . 18 1 1 A 111 111 ALA H H 111 7.247 7.677 -0.430 1
1 1296 . 18 1 1 A 111 111 ALA HA H 111 4.300 4.160 0.140 1
1 1300 . 18 1 1 A 111 111 ALA C C 111 176.488 178.718 -2.230 1
1 1301 . 18 1 1 A 111 111 ALA CA C 111 51.840 53.226 -1.386 1
1 1302 . 18 1 1 A 111 111 ALA CB C 111 19.210 19.134 0.076 1
1 1303 . 18 1 1 A 111 111 ALA N N 111 120.857 120.260 0.597 1
1 19 . 19 1 1 A 2 2 ALA H H 2 8.460 9.066 -0.606 1
1 20 . 19 1 1 A 2 2 ALA HA H 2 4.304 3.846 0.458 1
1 24 . 19 1 1 A 2 2 ALA C C 2 178.183 177.236 0.947 1
1 25 . 19 1 1 A 2 2 ALA CA C 2 52.760 54.395 -1.635 1
1 26 . 19 1 1 A 2 2 ALA CB C 2 19.150 18.167 0.983 1
1 27 . 19 1 1 A 2 2 ALA N N 2 125.375 125.162 0.213 1
1 28 . 19 1 1 A 3 3 GLY H H 3 8.343 8.023 0.320 1
1 29 . 19 1 1 A 3 3 GLY N N 3 108.577 106.659 1.918 1
1 30 . 19 1 1 A 5 5 LYS HA H 5 4.355 4.091 0.264 1
1 39 . 19 1 1 A 5 5 LYS CA C 5 56.170 58.432 -2.262 1
1 40 . 19 1 1 A 5 5 LYS CB C 5 33.170 31.068 2.102 1
1 44 . 19 1 1 A 6 6 SER HA H 6 4.429 4.220 0.209 1
1 47 . 19 1 1 A 6 6 SER CA C 6 58.390 60.889 -2.499 1
1 48 . 19 1 1 A 6 6 SER CB C 6 64.040 63.314 0.726 1
1 49 . 19 1 1 A 7 7 MET HA H 7 4.435 4.770 -0.335 1
1 57 . 19 1 1 A 7 7 MET CA C 7 55.610 54.513 1.097 1
1 58 . 19 1 1 A 7 7 MET CB C 7 33.550 36.161 -2.611 1
1 61 . 19 1 1 A 8 8 ASN HA H 8 4.837 4.787 0.050 1
1 66 . 19 1 1 A 8 8 ASN C C 8 175.910 174.993 0.917 1
1 67 . 19 1 1 A 8 8 ASN CA C 8 52.310 52.649 -0.339 1
1 68 . 19 1 1 A 8 8 ASN CB C 8 38.190 37.100 1.090 1
1 70 . 19 1 1 A 9 9 VAL H H 9 8.400 8.037 0.363 1
1 71 . 19 1 1 A 9 9 VAL HA H 9 3.908 3.893 0.015 1
1 79 . 19 1 1 A 9 9 VAL C C 9 176.738 177.632 -0.894 1
1 80 . 19 1 1 A 9 9 VAL CA C 9 65.550 66.550 -1.000 1
1 81 . 19 1 1 A 9 9 VAL CB C 9 31.970 31.493 0.477 1
1 84 . 19 1 1 A 9 9 VAL N N 9 121.216 124.321 -3.105 1
1 85 . 19 1 1 A 10 10 GLU H H 10 8.596 8.475 0.121 1
1 86 . 19 1 1 A 10 10 GLU HA H 10 4.077 4.139 -0.062 1
1 91 . 19 1 1 A 10 10 GLU C C 10 178.985 178.855 0.130 1
1 92 . 19 1 1 A 10 10 GLU CA C 10 59.390 59.713 -0.323 1
1 93 . 19 1 1 A 10 10 GLU CB C 10 29.000 29.458 -0.458 1
1 95 . 19 1 1 A 10 10 GLU N N 10 121.274 121.038 0.236 1
1 96 . 19 1 1 A 11 11 SER H H 11 7.841 7.910 -0.069 1
1 97 . 19 1 1 A 11 11 SER HA H 11 4.138 4.057 0.081 1
1 100 . 19 1 1 A 11 11 SER C C 11 176.817 176.218 0.599 1
1 101 . 19 1 1 A 11 11 SER CA C 11 60.790 62.294 -1.504 1
1 102 . 19 1 1 A 11 11 SER CB C 11 62.470 63.050 -0.580 1
1 103 . 19 1 1 A 11 11 SER N N 11 115.238 116.688 -1.450 1
1 104 . 19 1 1 A 12 12 TYR H H 12 7.284 7.535 -0.251 1
1 105 . 19 1 1 A 12 12 TYR HA H 12 4.104 4.344 -0.240 1
1 112 . 19 1 1 A 12 12 TYR C C 12 177.132 178.256 -1.124 1
1 113 . 19 1 1 A 12 12 TYR CA C 12 62.060 61.250 0.810 1
1 114 . 19 1 1 A 12 12 TYR CB C 12 38.710 37.649 1.061 1
1 117 . 19 1 1 A 12 12 TYR N N 12 120.370 119.782 0.588 1
1 118 . 19 1 1 A 13 13 GLU H H 13 8.490 8.049 0.441 1
1 119 . 19 1 1 A 13 13 GLU HA H 13 3.432 3.823 -0.391 1
1 124 . 19 1 1 A 13 13 GLU C C 13 177.303 178.555 -1.252 1
1 125 . 19 1 1 A 13 13 GLU CA C 13 60.660 59.605 1.055 1
1 126 . 19 1 1 A 13 13 GLU CB C 13 29.200 28.940 0.260 1
1 128 . 19 1 1 A 13 13 GLU N N 13 120.162 119.934 0.228 1
1 129 . 19 1 1 A 14 14 LYS H H 14 7.454 7.727 -0.273 1
1 130 . 19 1 1 A 14 14 LYS HA H 14 3.900 4.070 -0.170 1
1 139 . 19 1 1 A 14 14 LYS C C 14 178.249 178.698 -0.449 1
1 140 . 19 1 1 A 14 14 LYS CA C 14 59.620 59.017 0.603 1
1 141 . 19 1 1 A 14 14 LYS CB C 14 32.420 32.272 0.148 1
1 145 . 19 1 1 A 14 14 LYS N N 14 117.838 118.258 -0.420 1
1 146 . 19 1 1 A 15 15 ILE H H 15 7.409 7.694 -0.285 1
1 147 . 19 1 1 A 15 15 ILE HA H 15 3.822 3.966 -0.144 1
1 157 . 19 1 1 A 15 15 ILE C C 15 179.668 177.923 1.745 1
1 158 . 19 1 1 A 15 15 ILE CA C 15 65.030 63.118 1.912 1
1 159 . 19 1 1 A 15 15 ILE CB C 15 38.950 37.700 1.250 1
1 163 . 19 1 1 A 15 15 ILE N N 15 118.597 120.537 -1.940 1
1 164 . 19 1 1 A 16 16 LEU H H 16 8.407 8.213 0.194 1
1 165 . 19 1 1 A 16 16 LEU HA H 16 3.992 3.969 0.023 1
1 175 . 19 1 1 A 16 16 LEU C C 16 178.512 179.171 -0.659 1
1 176 . 19 1 1 A 16 16 LEU CA C 16 58.230 58.283 -0.053 1
1 177 . 19 1 1 A 16 16 LEU CB C 16 42.130 41.308 0.822 1
1 181 . 19 1 1 A 16 16 LEU N N 16 120.642 121.164 -0.522 1
1 182 . 19 1 1 A 17 17 ARG H H 17 8.789 8.018 0.771 1
1 183 . 19 1 1 A 17 17 ARG HA H 17 3.917 4.145 -0.228 1
1 190 . 19 1 1 A 17 17 ARG C C 17 179.602 179.092 0.510 1
1 191 . 19 1 1 A 17 17 ARG CA C 17 60.080 59.263 0.817 1
1 192 . 19 1 1 A 17 17 ARG CB C 17 29.620 29.808 -0.188 1
1 195 . 19 1 1 A 17 17 ARG N N 17 119.196 119.187 0.009 1
1 196 . 19 1 1 A 18 18 ASP H H 18 8.638 8.308 0.330 1
1 197 . 19 1 1 A 18 18 ASP HA H 18 4.418 4.461 -0.043 1
1 200 . 19 1 1 A 18 18 ASP C C 18 179.116 179.172 -0.056 1
1 201 . 19 1 1 A 18 18 ASP CA C 18 57.330 56.632 0.698 1
1 202 . 19 1 1 A 18 18 ASP CB C 18 39.700 40.209 -0.509 1
1 203 . 19 1 1 A 18 18 ASP N N 18 121.383 119.325 2.058 1
1 204 . 19 1 1 A 19 19 ARG H H 19 7.947 7.670 0.277 1
1 205 . 19 1 1 A 19 19 ARG HA H 19 4.180 4.200 -0.020 1
1 212 . 19 1 1 A 19 19 ARG C C 19 177.855 178.589 -0.734 1
1 213 . 19 1 1 A 19 19 ARG CA C 19 57.680 58.337 -0.657 1
1 214 . 19 1 1 A 19 19 ARG CB C 19 29.540 30.000 -0.460 1
1 217 . 19 1 1 A 19 19 ARG N N 19 121.506 120.183 1.323 1
1 218 . 19 1 1 A 20 20 GLN H H 20 8.691 8.187 0.504 1
1 219 . 19 1 1 A 20 20 GLN HA H 20 3.589 3.979 -0.390 1
1 226 . 19 1 1 A 20 20 GLN C C 20 176.896 178.204 -1.308 1
1 227 . 19 1 1 A 20 20 GLN CA C 20 59.620 58.322 1.298 1
1 228 . 19 1 1 A 20 20 GLN CB C 20 30.020 28.008 2.012 1
1 230 . 19 1 1 A 20 20 GLN N N 20 120.162 117.878 2.284 1
1 232 . 19 1 1 A 21 21 ARG H H 21 7.959 8.028 -0.069 1
1 233 . 19 1 1 A 21 21 ARG HA H 21 3.973 4.234 -0.261 1
1 240 . 19 1 1 A 21 21 ARG C C 21 178.985 178.974 0.011 1
1 241 . 19 1 1 A 21 21 ARG CA C 21 59.800 59.597 0.203 1
1 242 . 19 1 1 A 21 21 ARG CB C 21 29.980 30.194 -0.214 1
1 245 . 19 1 1 A 21 21 ARG N N 21 117.219 119.324 -2.105 1
1 246 . 19 1 1 A 22 22 GLU H H 22 7.700 7.984 -0.284 1
1 247 . 19 1 1 A 22 22 GLU HA H 22 4.076 4.124 -0.048 1
1 252 . 19 1 1 A 22 22 GLU C C 22 179.090 178.977 0.113 1
1 253 . 19 1 1 A 22 22 GLU CA C 22 58.950 59.193 -0.243 1
1 254 . 19 1 1 A 22 22 GLU CB C 22 29.580 29.022 0.558 1
1 256 . 19 1 1 A 22 22 GLU N N 22 119.703 118.432 1.271 1
1 257 . 19 1 1 A 23 23 LEU H H 23 8.264 7.872 0.392 1
1 258 . 19 1 1 A 23 23 LEU HA H 23 3.979 3.970 0.009 1
1 268 . 19 1 1 A 23 23 LEU C C 23 179.234 178.856 0.378 1
1 269 . 19 1 1 A 23 23 LEU CA C 23 57.990 57.882 0.108 1
1 270 . 19 1 1 A 23 23 LEU CB C 23 42.370 42.118 0.252 1
1 274 . 19 1 1 A 23 23 LEU N N 23 119.988 121.582 -1.594 1
1 275 . 19 1 1 A 24 24 TYR H H 24 8.688 8.426 0.262 1
1 276 . 19 1 1 A 24 24 TYR HA H 24 4.084 4.140 -0.056 1
1 283 . 19 1 1 A 24 24 TYR C C 24 178.630 179.021 -0.391 1
1 284 . 19 1 1 A 24 24 TYR CA C 24 61.670 61.003 0.667 1
1 285 . 19 1 1 A 24 24 TYR CB C 24 37.780 37.786 -0.006 1
1 288 . 19 1 1 A 24 24 TYR N N 24 119.101 118.110 0.991 1
1 289 . 19 1 1 A 25 25 ARG H H 25 7.945 8.208 -0.263 1
1 290 . 19 1 1 A 25 25 ARG HA H 25 4.043 4.137 -0.094 1
1 297 . 19 1 1 A 25 25 ARG C C 25 178.683 178.672 0.011 1
1 298 . 19 1 1 A 25 25 ARG CA C 25 59.460 59.074 0.386 1
1 299 . 19 1 1 A 25 25 ARG CB C 25 30.160 29.835 0.325 1
1 302 . 19 1 1 A 25 25 ARG N N 25 118.297 118.203 0.094 1
1 303 . 19 1 1 A 26 26 ARG H H 26 7.726 7.666 0.060 1
1 304 . 19 1 1 A 26 26 ARG HA H 26 4.067 4.076 -0.009 1
1 311 . 19 1 1 A 26 26 ARG C C 26 177.986 179.045 -1.059 1
1 312 . 19 1 1 A 26 26 ARG CA C 26 58.300 59.166 -0.866 1
1 313 . 19 1 1 A 26 26 ARG CB C 26 30.670 29.868 0.802 1
1 316 . 19 1 1 A 26 26 ARG N N 26 118.100 119.856 -1.756 1
1 317 . 19 1 1 A 27 27 LEU H H 27 7.971 8.036 -0.065 1
1 318 . 19 1 1 A 27 27 LEU HA H 27 4.095 4.289 -0.194 1
1 328 . 19 1 1 A 27 27 LEU C C 27 177.461 177.229 0.232 1
1 329 . 19 1 1 A 27 27 LEU CA C 27 56.260 56.515 -0.255 1
1 330 . 19 1 1 A 27 27 LEU CB C 27 42.260 41.559 0.701 1
1 334 . 19 1 1 A 27 27 LEU N N 27 118.633 116.575 2.058 1
1 335 . 19 1 1 A 28 28 HIS H H 28 7.863 7.837 0.026 1
1 336 . 19 1 1 A 28 28 HIS HA H 28 4.482 5.076 -0.594 1
1 341 . 19 1 1 A 28 28 HIS C C 28 174.741 175.379 -0.638 1
1 342 . 19 1 1 A 28 28 HIS CA C 28 56.310 54.438 1.872 1
1 343 . 19 1 1 A 28 28 HIS CB C 28 29.300 28.765 0.535 1
1 346 . 19 1 1 A 28 28 HIS N N 28 116.767 118.185 -1.418 1
1 347 . 19 1 1 A 29 29 LYS H H 29 7.893 7.718 0.175 1
1 348 . 19 1 1 A 29 29 LYS HA H 29 4.172 4.027 0.145 1
1 357 . 19 1 1 A 29 29 LYS C C 29 176.357 178.315 -1.958 1
1 358 . 19 1 1 A 29 29 LYS CA C 29 56.830 58.773 -1.943 1
1 359 . 19 1 1 A 29 29 LYS CB C 29 32.000 31.761 0.239 1
1 363 . 19 1 1 A 29 29 LYS N N 29 120.331 118.829 1.502 1
1 364 . 19 1 1 A 30 30 ILE H H 30 7.995 7.185 0.810 1
1 365 . 19 1 1 A 30 30 ILE HA H 30 4.085 3.810 0.275 1
1 375 . 19 1 1 A 30 30 ILE C C 30 176.344 177.653 -1.309 1
1 376 . 19 1 1 A 30 30 ILE CA C 30 61.440 64.388 -2.948 1
1 377 . 19 1 1 A 30 30 ILE CB C 30 39.020 37.522 1.498 1
1 381 . 19 1 1 A 30 30 ILE N N 30 120.440 117.843 2.597 1
1 382 . 19 1 1 A 31 31 GLU H H 31 8.367 8.368 -0.001 1
1 383 . 19 1 1 A 31 31 GLU HA H 31 4.159 4.323 -0.164 1
1 388 . 19 1 1 A 31 31 GLU C C 31 176.265 176.648 -0.383 1
1 389 . 19 1 1 A 31 31 GLU CA C 31 56.890 57.967 -1.077 1
1 390 . 19 1 1 A 31 31 GLU CB C 31 30.050 30.231 -0.181 1
1 392 . 19 1 1 A 31 31 GLU N N 31 124.043 120.328 3.715 1
1 393 . 19 1 1 A 32 32 ALA H H 32 8.138 7.604 0.534 1
1 394 . 19 1 1 A 32 32 ALA HA H 32 4.175 4.398 -0.223 1
1 398 . 19 1 1 A 32 32 ALA C C 32 177.198 177.644 -0.446 1
1 399 . 19 1 1 A 32 32 ALA CA C 32 52.620 51.434 1.186 1
1 400 . 19 1 1 A 32 32 ALA CB C 32 19.490 17.490 2.000 1
1 401 . 19 1 1 A 32 32 ALA N N 32 124.170 122.111 2.059 1
1 402 . 19 1 1 A 33 33 ASP H H 33 8.157 8.304 -0.147 1
1 403 . 19 1 1 A 33 33 ASP HA H 33 4.467 4.887 -0.420 1
1 406 . 19 1 1 A 33 33 ASP C C 33 175.910 175.914 -0.004 1
1 407 . 19 1 1 A 33 33 ASP CA C 33 54.500 53.492 1.008 1
1 408 . 19 1 1 A 33 33 ASP CB C 33 40.750 40.834 -0.084 1
1 409 . 19 1 1 A 33 33 ASP N N 33 118.904 123.728 -4.824 1
1 410 . 19 1 1 A 34 34 PHE H H 34 7.884 8.192 -0.308 1
1 411 . 19 1 1 A 34 34 PHE HA H 34 4.514 4.173 0.341 1
1 418 . 19 1 1 A 34 34 PHE C C 34 175.319 175.915 -0.596 1
1 419 . 19 1 1 A 34 34 PHE CA C 34 57.610 58.729 -1.119 1
1 420 . 19 1 1 A 34 34 PHE CB C 34 39.840 38.277 1.563 1
1 423 . 19 1 1 A 34 34 PHE N N 34 119.439 119.496 -0.057 1
1 424 . 19 1 1 A 35 35 GLU H H 35 8.084 8.296 -0.212 1
1 425 . 19 1 1 A 35 35 GLU HA H 35 4.190 4.372 -0.182 1
1 430 . 19 1 1 A 35 35 GLU C C 35 175.634 176.584 -0.950 1
1 431 . 19 1 1 A 35 35 GLU CA C 35 56.140 55.706 0.434 1
1 432 . 19 1 1 A 35 35 GLU CB C 35 30.810 30.006 0.804 1
1 434 . 19 1 1 A 35 35 GLU N N 35 122.340 118.037 4.303 1
1 435 . 19 1 1 A 36 36 GLU H H 36 8.172 7.385 0.787 1
1 436 . 19 1 1 A 36 36 GLU HA H 36 4.442 4.440 0.002 1
1 441 . 19 1 1 A 36 36 GLU CA C 36 54.300 55.144 -0.844 1
1 442 . 19 1 1 A 36 36 GLU CB C 36 29.490 28.811 0.679 1
1 444 . 19 1 1 A 36 36 GLU N N 36 123.278 120.800 2.478 1
1 445 . 19 1 1 A 37 37 PRO HA H 37 4.339 4.356 -0.017 1
1 452 . 19 1 1 A 37 37 PRO C C 37 175.818 177.683 -1.865 1
1 453 . 19 1 1 A 37 37 PRO CA C 37 62.800 63.447 -0.647 1
1 454 . 19 1 1 A 37 37 PRO CB C 37 31.900 31.740 0.160 1
1 457 . 19 1 1 A 38 38 ARG H H 38 8.412 8.794 -0.382 1
1 458 . 19 1 1 A 38 38 ARG HA H 38 4.255 3.969 0.286 1
1 465 . 19 1 1 A 38 38 ARG C C 38 175.818 176.913 -1.095 1
1 466 . 19 1 1 A 38 38 ARG CA C 38 55.350 58.730 -3.380 1
1 467 . 19 1 1 A 38 38 ARG CB C 38 31.010 29.877 1.133 1
1 470 . 19 1 1 A 38 38 ARG N N 38 121.791 122.457 -0.666 1
1 471 . 19 1 1 A 39 39 ASN H H 39 8.624 7.837 0.787 1
1 472 . 19 1 1 A 39 39 ASN HA H 39 4.906 4.894 0.012 1
1 477 . 19 1 1 A 39 39 ASN CA C 39 51.100 50.648 0.452 1
1 478 . 19 1 1 A 39 39 ASN CB C 39 38.560 38.654 -0.094 1
1 479 . 19 1 1 A 39 39 ASN N N 39 121.594 118.078 3.516 1
1 481 . 19 1 1 A 40 40 PRO HA H 40 4.310 4.678 -0.368 1
1 488 . 19 1 1 A 40 40 PRO C C 40 176.896 174.984 1.912 1
1 489 . 19 1 1 A 40 40 PRO CA C 40 63.970 62.957 1.013 1
1 490 . 19 1 1 A 40 40 PRO CB C 40 32.210 31.674 0.536 1
1 493 . 19 1 1 A 41 41 ASP H H 41 8.219 8.809 -0.590 1
1 494 . 19 1 1 A 41 41 ASP HA H 41 4.516 5.073 -0.557 1
1 497 . 19 1 1 A 41 41 ASP C C 41 176.252 175.100 1.152 1
1 498 . 19 1 1 A 41 41 ASP CA C 41 54.740 53.001 1.739 1
1 499 . 19 1 1 A 41 41 ASP CB C 41 41.100 43.851 -2.751 1
1 500 . 19 1 1 A 41 41 ASP N N 41 118.818 123.516 -4.698 1
1 501 . 19 1 1 A 42 42 ASP H H 42 7.949 8.535 -0.586 1
1 502 . 19 1 1 A 42 42 ASP HA H 42 4.516 4.520 -0.004 1
1 505 . 19 1 1 A 42 42 ASP C C 42 176.567 176.839 -0.272 1
1 506 . 19 1 1 A 42 42 ASP CA C 42 54.910 56.241 -1.331 1
1 507 . 19 1 1 A 42 42 ASP CB C 42 41.100 41.563 -0.463 1
1 508 . 19 1 1 A 42 42 ASP N N 42 120.104 124.790 -4.686 1
1 509 . 19 1 1 A 43 43 GLU H H 43 8.179 7.703 0.476 1
1 510 . 19 1 1 A 43 43 GLU HA H 43 4.153 4.458 -0.305 1
1 515 . 19 1 1 A 43 43 GLU C C 43 176.488 176.798 -0.310 1
1 516 . 19 1 1 A 43 43 GLU CA C 43 57.070 56.343 0.727 1
1 517 . 19 1 1 A 43 43 GLU CB C 43 30.430 32.109 -1.679 1
1 519 . 19 1 1 A 43 43 GLU N N 43 121.153 116.852 4.301 1
1 520 . 19 1 1 A 44 44 ASP H H 44 8.325 8.382 -0.057 1
1 521 . 19 1 1 A 44 44 ASP HA H 44 4.517 4.500 0.017 1
1 524 . 19 1 1 A 44 44 ASP C C 44 176.462 174.865 1.597 1
1 525 . 19 1 1 A 44 44 ASP CA C 44 54.360 56.240 -1.880 1
1 526 . 19 1 1 A 44 44 ASP CB C 44 41.030 40.723 0.307 1
1 527 . 19 1 1 A 44 44 ASP N N 44 121.100 119.783 1.317 1
1 528 . 19 1 1 A 45 45 ARG H H 45 8.106 7.859 0.247 1
1 529 . 19 1 1 A 45 45 ARG HA H 45 4.252 4.573 -0.321 1
1 536 . 19 1 1 A 45 45 ARG C C 45 176.475 174.235 2.240 1
1 537 . 19 1 1 A 45 45 ARG CA C 45 56.000 55.975 0.025 1
1 538 . 19 1 1 A 45 45 ARG CB C 45 30.360 30.751 -0.391 1
1 541 . 19 1 1 A 45 45 ARG N N 45 121.258 119.690 1.568 1
1 542 . 19 1 1 A 46 46 ALA H H 46 8.235 8.543 -0.308 1
1 543 . 19 1 1 A 46 46 ALA HA H 46 4.220 4.768 -0.548 1
1 547 . 19 1 1 A 46 46 ALA C C 46 178.196 176.350 1.846 1
1 548 . 19 1 1 A 46 46 ALA CA C 46 53.070 52.162 0.908 1
1 549 . 19 1 1 A 46 46 ALA CB C 46 18.840 19.634 -0.794 1
1 550 . 19 1 1 A 46 46 ALA N N 46 124.506 125.986 -1.480 1
1 551 . 19 1 1 A 47 47 SER H H 47 8.150 8.560 -0.410 1
1 552 . 19 1 1 A 47 47 SER HA H 47 4.331 4.615 -0.284 1
1 555 . 19 1 1 A 47 47 SER C C 47 174.727 175.311 -0.584 1
1 556 . 19 1 1 A 47 47 SER CA C 47 58.820 58.541 0.279 1
1 557 . 19 1 1 A 47 47 SER CB C 47 63.520 64.352 -0.832 1
1 558 . 19 1 1 A 47 47 SER N N 47 114.398 116.463 -2.065 1
1 559 . 19 1 1 A 48 48 GLU H H 48 8.235 8.273 -0.038 1
1 560 . 19 1 1 A 48 48 GLU HA H 48 4.244 4.168 0.076 1
1 565 . 19 1 1 A 48 48 GLU C C 48 176.396 175.524 0.872 1
1 566 . 19 1 1 A 48 48 GLU CA C 48 56.550 59.212 -2.662 1
1 567 . 19 1 1 A 48 48 GLU CB C 48 30.330 29.303 1.027 1
1 569 . 19 1 1 A 48 48 GLU N N 48 122.340 121.305 1.035 1
1 570 . 19 1 1 A 49 49 ARG H H 49 8.174 8.019 0.155 1
1 571 . 19 1 1 A 49 49 ARG HA H 49 4.339 4.846 -0.507 1
1 578 . 19 1 1 A 49 49 ARG C C 49 176.344 175.268 1.076 1
1 579 . 19 1 1 A 49 49 ARG CA C 49 55.900 54.048 1.852 1
1 580 . 19 1 1 A 49 49 ARG CB C 49 30.980 33.618 -2.638 1
1 583 . 19 1 1 A 49 49 ARG N N 49 121.431 119.052 2.379 1
1 584 . 19 1 1 A 50 50 SER H H 50 8.389 8.478 -0.089 1
1 585 . 19 1 1 A 50 50 SER HA H 50 4.392 4.528 -0.136 1
1 588 . 19 1 1 A 50 50 SER C C 50 174.517 173.736 0.781 1
1 589 . 19 1 1 A 50 50 SER CA C 50 58.230 59.730 -1.500 1
1 590 . 19 1 1 A 50 50 SER CB C 50 64.010 63.583 0.427 1
1 591 . 19 1 1 A 50 50 SER N N 50 117.321 116.858 0.463 1
1 592 . 19 1 1 A 51 51 ASN H H 51 8.488 8.843 -0.355 1
1 593 . 19 1 1 A 51 51 ASN HA H 51 4.657 5.132 -0.475 1
1 598 . 19 1 1 A 51 51 ASN C C 51 175.122 173.215 1.907 1
1 599 . 19 1 1 A 51 51 ASN CA C 51 53.780 52.010 1.770 1
1 600 . 19 1 1 A 51 51 ASN CB C 51 38.770 40.824 -2.054 1
1 601 . 19 1 1 A 51 51 ASN N N 51 120.903 124.168 -3.265 1
1 603 . 19 1 1 A 52 52 ASP H H 52 8.231 9.167 -0.936 1
1 604 . 19 1 1 A 52 52 ASP HA H 52 4.517 5.098 -0.581 1
1 607 . 19 1 1 A 52 52 ASP C C 52 176.291 174.665 1.626 1
1 608 . 19 1 1 A 52 52 ASP CA C 52 54.500 52.616 1.884 1
1 609 . 19 1 1 A 52 52 ASP CB C 52 41.170 40.979 0.191 1
1 610 . 19 1 1 A 52 52 ASP N N 52 120.236 127.816 -7.580 1
1 611 . 19 1 1 A 53 53 GLU H H 53 8.139 8.167 -0.028 1
1 612 . 19 1 1 A 53 53 GLU HA H 53 4.194 4.706 -0.512 1
1 617 . 19 1 1 A 53 53 GLU C C 53 176.606 176.052 0.554 1
1 618 . 19 1 1 A 53 53 GLU CA C 53 56.930 55.398 1.532 1
1 619 . 19 1 1 A 53 53 GLU CB C 53 30.500 29.668 0.832 1
1 621 . 19 1 1 A 53 53 GLU N N 53 120.655 124.349 -3.694 1
1 622 . 19 1 1 A 54 54 VAL H H 54 8.061 8.827 -0.766 1
1 623 . 19 1 1 A 54 54 VAL HA H 54 3.978 4.029 -0.051 1
1 631 . 19 1 1 A 54 54 VAL C C 54 176.278 176.470 -0.192 1
1 632 . 19 1 1 A 54 54 VAL CA C 54 62.880 65.367 -2.487 1
1 633 . 19 1 1 A 54 54 VAL CB C 54 32.660 32.095 0.565 1
1 636 . 19 1 1 A 54 54 VAL N N 54 121.320 126.681 -5.361 1
1 637 . 19 1 1 A 55 55 LEU H H 55 8.209 7.856 0.353 1
1 638 . 19 1 1 A 55 55 LEU HA H 55 4.273 4.407 -0.134 1
1 648 . 19 1 1 A 55 55 LEU C C 55 177.355 175.890 1.465 1
1 649 . 19 1 1 A 55 55 LEU CA C 55 55.290 56.909 -1.619 1
1 650 . 19 1 1 A 55 55 LEU CB C 55 42.190 40.874 1.316 1
1 654 . 19 1 1 A 55 55 LEU N N 55 125.139 120.172 4.967 1
1 655 . 19 1 1 A 56 56 ASP H H 56 8.204 8.949 -0.745 1
1 656 . 19 1 1 A 56 56 ASP HA H 56 4.516 4.790 -0.274 1
1 659 . 19 1 1 A 56 56 ASP C C 56 176.633 177.595 -0.962 1
1 660 . 19 1 1 A 56 56 ASP CA C 56 54.360 53.517 0.843 1
1 661 . 19 1 1 A 56 56 ASP CB C 56 41.070 41.023 0.047 1
1 662 . 19 1 1 A 56 56 ASP N N 56 121.154 123.128 -1.974 1
1 663 . 19 1 1 A 57 57 GLU H H 57 8.316 8.281 0.035 1
1 664 . 19 1 1 A 57 57 GLU HA H 57 4.164 4.466 -0.302 1
1 669 . 19 1 1 A 57 57 GLU C C 57 177.158 176.938 0.220 1
1 670 . 19 1 1 A 57 57 GLU CA C 57 57.650 57.471 0.179 1
1 671 . 19 1 1 A 57 57 GLU CB C 57 30.020 29.810 0.210 1
1 673 . 19 1 1 A 57 57 GLU N N 57 120.771 121.103 -0.332 1
1 674 . 19 1 1 A 58 58 LEU H H 58 8.204 7.478 0.726 1
1 675 . 19 1 1 A 58 58 LEU HA H 58 4.231 4.475 -0.244 1
1 685 . 19 1 1 A 58 58 LEU C C 58 178.538 177.063 1.475 1
1 686 . 19 1 1 A 58 58 LEU CA C 58 55.690 54.177 1.513 1
1 687 . 19 1 1 A 58 58 LEU CB C 58 42.230 42.945 -0.715 1
1 691 . 19 1 1 A 58 58 LEU N N 58 120.716 122.384 -1.668 1
1 692 . 19 1 1 A 59 59 GLY H H 59 8.212 8.628 -0.416 1
1 693 . 19 1 1 A 59 59 GLY HA2 H 59 3.917 4.150 -0.233 1
1 694 . 19 1 1 A 59 59 GLY HA3 H 59 3.917 4.156 -0.239 1
1 695 . 19 1 1 A 59 59 GLY C C 59 174.294 174.864 -0.570 1
1 696 . 19 1 1 A 59 59 GLY CA C 59 45.550 44.361 1.189 1
1 697 . 19 1 1 A 59 59 GLY N N 59 108.670 107.854 0.816 1
1 698 . 19 1 1 A 60 60 GLN H H 60 8.310 8.691 -0.381 1
1 699 . 19 1 1 A 60 60 GLN HA H 60 4.079 3.899 0.180 1
1 706 . 19 1 1 A 60 60 GLN C C 60 177.171 178.278 -1.107 1
1 707 . 19 1 1 A 60 60 GLN CA C 60 57.590 59.029 -1.439 1
1 708 . 19 1 1 A 60 60 GLN CB C 60 28.960 28.476 0.484 1
1 710 . 19 1 1 A 60 60 GLN N N 60 120.662 119.627 1.035 1
1 712 . 19 1 1 A 61 61 VAL H H 61 8.136 8.237 -0.101 1
1 713 . 19 1 1 A 61 61 VAL HA H 61 3.971 3.727 0.244 1
1 721 . 19 1 1 A 61 61 VAL C C 61 178.262 177.841 0.421 1
1 722 . 19 1 1 A 61 61 VAL CA C 61 64.420 66.160 -1.740 1
1 723 . 19 1 1 A 61 61 VAL CB C 61 32.110 31.075 1.035 1
1 726 . 19 1 1 A 61 61 VAL N N 61 119.154 120.053 -0.899 1
1 727 . 19 1 1 A 62 62 GLY H H 62 8.183 8.282 -0.099 1
1 728 . 19 1 1 A 62 62 GLY HA2 H 62 3.966 3.685 0.281 1
1 729 . 19 1 1 A 62 62 GLY HA3 H 62 3.783 3.709 0.074 1
1 730 . 19 1 1 A 62 62 GLY C C 62 174.872 175.882 -1.010 1
1 731 . 19 1 1 A 62 62 GLY CA C 62 46.780 46.956 -0.176 1
1 732 . 19 1 1 A 62 62 GLY N N 62 110.813 108.653 2.160 1
1 733 . 19 1 1 A 63 63 GLN H H 63 8.235 7.755 0.480 1
1 734 . 19 1 1 A 63 63 GLN HA H 63 3.966 3.963 0.003 1
1 741 . 19 1 1 A 63 63 GLN C C 63 178.170 178.457 -0.287 1
1 742 . 19 1 1 A 63 63 GLN CA C 63 58.990 58.697 0.293 1
1 743 . 19 1 1 A 63 63 GLN CB C 63 28.500 28.340 0.160 1
1 745 . 19 1 1 A 63 63 GLN N N 63 120.667 121.449 -0.782 1
1 747 . 19 1 1 A 64 64 ASP H H 64 8.386 8.113 0.273 1
1 748 . 19 1 1 A 64 64 ASP HA H 64 4.347 4.380 -0.033 1
1 751 . 19 1 1 A 64 64 ASP C C 64 178.669 178.420 0.249 1
1 752 . 19 1 1 A 64 64 ASP CA C 64 56.860 56.905 -0.045 1
1 753 . 19 1 1 A 64 64 ASP CB C 64 39.970 40.041 -0.071 1
1 754 . 19 1 1 A 64 64 ASP N N 64 120.058 120.399 -0.341 1
1 755 . 19 1 1 A 65 65 GLU H H 65 7.992 7.865 0.127 1
1 756 . 19 1 1 A 65 65 GLU HA H 65 3.542 3.968 -0.426 1
1 761 . 19 1 1 A 65 65 GLU C C 65 177.842 178.415 -0.573 1
1 762 . 19 1 1 A 65 65 GLU CA C 65 59.560 58.668 0.892 1
1 763 . 19 1 1 A 65 65 GLU CB C 65 29.100 29.345 -0.245 1
1 765 . 19 1 1 A 65 65 GLU N N 65 123.846 119.336 4.510 1
1 766 . 19 1 1 A 66 66 LEU H H 66 8.100 7.871 0.229 1
1 767 . 19 1 1 A 66 66 LEU HA H 66 3.783 3.818 -0.035 1
1 777 . 19 1 1 A 66 66 LEU C C 66 178.893 178.088 0.805 1
1 778 . 19 1 1 A 66 66 LEU CA C 66 58.610 57.785 0.825 1
1 779 . 19 1 1 A 66 66 LEU CB C 66 41.510 41.299 0.211 1
1 783 . 19 1 1 A 66 66 LEU N N 66 119.444 121.310 -1.866 1
1 784 . 19 1 1 A 67 67 ARG H H 67 7.870 7.803 0.067 1
1 785 . 19 1 1 A 67 67 ARG HA H 67 4.095 3.985 0.110 1
1 792 . 19 1 1 A 67 67 ARG C C 67 179.484 178.311 1.173 1
1 793 . 19 1 1 A 67 67 ARG CA C 67 59.490 59.213 0.277 1
1 794 . 19 1 1 A 67 67 ARG CB C 67 30.230 29.574 0.656 1
1 797 . 19 1 1 A 67 67 ARG N N 67 118.088 119.094 -1.006 1
1 798 . 19 1 1 A 68 68 ALA H H 68 7.820 7.789 0.031 1
1 799 . 19 1 1 A 68 68 ALA HA H 68 4.188 4.056 0.132 1
1 803 . 19 1 1 A 68 68 ALA C C 68 181.626 179.967 1.659 1
1 804 . 19 1 1 A 68 68 ALA CA C 68 54.840 54.973 -0.133 1
1 805 . 19 1 1 A 68 68 ALA CB C 68 18.400 18.191 0.209 1
1 806 . 19 1 1 A 68 68 ALA N N 68 123.318 122.101 1.217 1
1 807 . 19 1 1 A 69 69 ILE H H 69 8.643 7.806 0.837 1
1 808 . 19 1 1 A 69 69 ILE HA H 69 3.539 3.586 -0.047 1
1 818 . 19 1 1 A 69 69 ILE C C 69 177.290 177.511 -0.221 1
1 819 . 19 1 1 A 69 69 ILE CA C 69 66.370 65.777 0.593 1
1 820 . 19 1 1 A 69 69 ILE CB C 69 38.090 37.862 0.228 1
1 824 . 19 1 1 A 69 69 ILE N N 69 122.954 119.100 3.854 1
1 825 . 19 1 1 A 70 70 ASP H H 70 8.415 8.137 0.278 1
1 826 . 19 1 1 A 70 70 ASP HA H 70 4.336 4.401 -0.065 1
1 829 . 19 1 1 A 70 70 ASP C C 70 179.786 178.007 1.779 1
1 830 . 19 1 1 A 70 70 ASP CA C 70 58.130 57.812 0.318 1
1 831 . 19 1 1 A 70 70 ASP CB C 70 40.310 41.858 -1.548 1
1 832 . 19 1 1 A 70 70 ASP N N 70 121.571 120.641 0.930 1
1 833 . 19 1 1 A 71 71 ALA H H 71 7.869 8.012 -0.143 1
1 834 . 19 1 1 A 71 71 ALA HA H 71 4.215 4.194 0.021 1
1 838 . 19 1 1 A 71 71 ALA C C 71 180.246 179.785 0.461 1
1 839 . 19 1 1 A 71 71 ALA CA C 71 54.500 54.768 -0.268 1
1 840 . 19 1 1 A 71 71 ALA CB C 71 17.680 18.239 -0.559 1
1 841 . 19 1 1 A 71 71 ALA N N 71 121.459 120.738 0.721 1
1 842 . 19 1 1 A 72 72 ALA H H 72 8.263 7.894 0.369 1
1 843 . 19 1 1 A 72 72 ALA HA H 72 4.045 4.275 -0.230 1
1 847 . 19 1 1 A 72 72 ALA C C 72 179.668 180.113 -0.445 1
1 848 . 19 1 1 A 72 72 ALA CA C 72 55.560 55.091 0.469 1
1 849 . 19 1 1 A 72 72 ALA CB C 72 19.870 18.591 1.279 1
1 850 . 19 1 1 A 72 72 ALA N N 72 123.378 121.157 2.221 1
1 851 . 19 1 1 A 73 73 LEU H H 73 8.790 8.315 0.475 1
1 852 . 19 1 1 A 73 73 LEU HA H 73 3.920 3.933 -0.013 1
1 862 . 19 1 1 A 73 73 LEU C C 73 180.286 179.069 1.217 1
1 863 . 19 1 1 A 73 73 LEU CA C 73 58.130 57.986 0.144 1
1 864 . 19 1 1 A 73 73 LEU CB C 73 41.200 41.322 -0.122 1
1 868 . 19 1 1 A 73 73 LEU N N 73 119.015 118.870 0.145 1
1 869 . 19 1 1 A 74 74 ALA H H 74 7.931 8.254 -0.323 1
1 870 . 19 1 1 A 74 74 ALA HA H 74 4.273 3.977 0.296 1
1 874 . 19 1 1 A 74 74 ALA C C 74 180.811 179.642 1.169 1
1 875 . 19 1 1 A 74 74 ALA CA C 74 54.960 55.111 -0.151 1
1 876 . 19 1 1 A 74 74 ALA CB C 74 17.690 18.187 -0.497 1
1 877 . 19 1 1 A 74 74 ALA N N 74 124.135 121.951 2.184 1
1 878 . 19 1 1 A 75 75 ARG H H 75 7.898 7.687 0.211 1
1 879 . 19 1 1 A 75 75 ARG HA H 75 4.138 4.095 0.043 1
1 886 . 19 1 1 A 75 75 ARG C C 75 179.721 179.018 0.703 1
1 887 . 19 1 1 A 75 75 ARG CA C 75 60.170 58.884 1.286 1
1 888 . 19 1 1 A 75 75 ARG CB C 75 29.970 29.807 0.163 1
1 891 . 19 1 1 A 75 75 ARG N N 75 120.143 117.201 2.942 1
1 892 . 19 1 1 A 76 76 ILE H H 76 8.061 7.878 0.183 1
1 893 . 19 1 1 A 76 76 ILE HA H 76 3.697 3.798 -0.101 1
1 903 . 19 1 1 A 76 76 ILE C C 76 179.392 178.221 1.171 1
1 904 . 19 1 1 A 76 76 ILE CA C 76 66.060 65.640 0.420 1
1 905 . 19 1 1 A 76 76 ILE CB C 76 37.240 37.835 -0.595 1
1 909 . 19 1 1 A 76 76 ILE N N 76 121.537 121.732 -0.195 1
1 910 . 19 1 1 A 77 77 ALA H H 77 7.735 8.011 -0.276 1
1 911 . 19 1 1 A 77 77 ALA HA H 77 4.132 4.095 0.037 1
1 915 . 19 1 1 A 77 77 ALA C C 77 179.326 180.290 -0.964 1
1 916 . 19 1 1 A 77 77 ALA CA C 77 54.910 54.915 -0.005 1
1 917 . 19 1 1 A 77 77 ALA CB C 77 17.950 18.132 -0.182 1
1 918 . 19 1 1 A 77 77 ALA N N 77 122.664 122.103 0.561 1
1 919 . 19 1 1 A 78 78 SER H H 78 7.999 7.521 0.478 1
1 920 . 19 1 1 A 78 78 SER HA H 78 4.472 4.526 -0.054 1
1 923 . 19 1 1 A 78 78 SER C C 78 174.675 174.835 -0.160 1
1 924 . 19 1 1 A 78 78 SER CA C 78 59.260 58.617 0.643 1
1 925 . 19 1 1 A 78 78 SER CB C 78 64.070 63.775 0.295 1
1 926 . 19 1 1 A 78 78 SER N N 78 111.061 110.730 0.331 1
1 927 . 19 1 1 A 79 79 GLY H H 79 7.844 7.793 0.051 1
1 928 . 19 1 1 A 79 79 GLY HA2 H 79 4.233 3.969 0.264 1
1 929 . 19 1 1 A 79 79 GLY HA3 H 79 4.087 3.985 0.102 1
1 930 . 19 1 1 A 79 79 GLY C C 79 175.687 173.966 1.721 1
1 931 . 19 1 1 A 79 79 GLY CA C 79 46.470 45.742 0.728 1
1 932 . 19 1 1 A 79 79 GLY N N 79 109.909 109.179 0.730 1
1 933 . 19 1 1 A 80 80 THR H H 80 8.408 7.904 0.504 1
1 934 . 19 1 1 A 80 80 THR HA H 80 4.504 4.554 -0.050 1
1 939 . 19 1 1 A 80 80 THR C C 80 174.793 174.060 0.733 1
1 940 . 19 1 1 A 80 80 THR CA C 80 60.280 61.161 -0.881 1
1 941 . 19 1 1 A 80 80 THR CB C 80 69.000 69.190 -0.190 1
1 943 . 19 1 1 A 80 80 THR N N 80 109.416 115.884 -6.468 1
1 944 . 19 1 1 A 81 81 PHE H H 81 7.610 7.790 -0.180 1
1 945 . 19 1 1 A 81 81 PHE HA H 81 3.944 4.261 -0.317 1
1 950 . 19 1 1 A 81 81 PHE C C 81 176.462 176.861 -0.399 1
1 951 . 19 1 1 A 81 81 PHE CA C 81 59.940 59.905 0.035 1
1 952 . 19 1 1 A 81 81 PHE CB C 81 39.700 38.768 0.932 1
1 954 . 19 1 1 A 81 81 PHE N N 81 123.672 123.545 0.127 1
1 955 . 19 1 1 A 82 82 GLY H H 82 8.827 8.139 0.688 1
1 956 . 19 1 1 A 82 82 GLY HA2 H 82 4.000 3.311 0.689 1
1 957 . 19 1 1 A 82 82 GLY HA3 H 82 2.606 3.513 -0.907 1
1 958 . 19 1 1 A 82 82 GLY C C 82 172.388 174.006 -1.618 1
1 959 . 19 1 1 A 82 82 GLY CA C 82 44.590 46.277 -1.687 1
1 960 . 19 1 1 A 82 82 GLY N N 82 115.493 113.652 1.841 1
1 961 . 19 1 1 A 83 83 THR H H 83 7.265 7.523 -0.258 1
1 962 . 19 1 1 A 83 83 THR HA H 83 4.418 4.642 -0.224 1
1 967 . 19 1 1 A 83 83 THR C C 83 173.808 173.155 0.653 1
1 968 . 19 1 1 A 83 83 THR CA C 83 61.180 61.160 0.020 1
1 969 . 19 1 1 A 83 83 THR CB C 83 70.020 70.712 -0.692 1
1 971 . 19 1 1 A 83 83 THR N N 83 115.366 114.165 1.201 1
1 972 . 19 1 1 A 84 84 CYS H H 84 9.410 8.481 0.929 1
1 973 . 19 1 1 A 84 84 CYS HA H 84 4.339 4.747 -0.408 1
1 976 . 19 1 1 A 84 84 CYS C C 84 177.986 175.673 2.313 1
1 977 . 19 1 1 A 84 84 CYS CA C 84 60.080 59.633 0.447 1
1 978 . 19 1 1 A 84 84 CYS CB C 84 30.630 28.252 2.378 1
1 979 . 19 1 1 A 84 84 CYS N N 84 131.144 126.050 5.094 1
1 980 . 19 1 1 A 85 85 VAL H H 85 8.461 8.344 0.117 1
1 981 . 19 1 1 A 85 85 VAL HA H 85 3.918 3.712 0.206 1
1 989 . 19 1 1 A 85 85 VAL C C 85 175.608 177.646 -2.038 1
1 990 . 19 1 1 A 85 85 VAL CA C 85 64.080 65.322 -1.242 1
1 991 . 19 1 1 A 85 85 VAL CB C 85 31.730 31.400 0.330 1
1 994 . 19 1 1 A 85 85 VAL N N 85 126.221 125.342 0.879 1
1 995 . 19 1 1 A 86 86 LYS H H 86 8.924 8.174 0.750 1
1 996 . 19 1 1 A 86 86 LYS HA H 86 4.496 4.112 0.384 1
1 1005 . 19 1 1 A 86 86 LYS C C 86 177.277 177.796 -0.519 1
1 1006 . 19 1 1 A 86 86 LYS CA C 86 58.500 58.771 -0.271 1
1 1007 . 19 1 1 A 86 86 LYS CB C 86 33.780 32.169 1.611 1
1 1011 . 19 1 1 A 86 86 LYS N N 86 123.551 121.381 2.170 1
1 1012 . 19 1 1 A 87 87 CYS H H 87 8.264 7.713 0.551 1
1 1013 . 19 1 1 A 87 87 CYS HA H 87 4.925 4.526 0.399 1
1 1016 . 19 1 1 A 87 87 CYS C C 87 177.211 175.399 1.812 1
1 1017 . 19 1 1 A 87 87 CYS CA C 87 58.980 59.706 -0.726 1
1 1018 . 19 1 1 A 87 87 CYS CB C 87 33.100 29.559 3.541 1
1 1019 . 19 1 1 A 87 87 CYS N N 87 117.502 115.448 2.054 1
1 1020 . 19 1 1 A 88 88 GLY H H 88 7.655 8.292 -0.637 1
1 1021 . 19 1 1 A 88 88 GLY HA2 H 88 4.159 3.938 0.221 1
1 1022 . 19 1 1 A 88 88 GLY HA3 H 88 3.729 3.939 -0.210 1
1 1023 . 19 1 1 A 88 88 GLY C C 88 173.558 173.605 -0.047 1
1 1024 . 19 1 1 A 88 88 GLY CA C 88 46.300 46.032 0.268 1
1 1025 . 19 1 1 A 88 88 GLY N N 88 111.948 110.568 1.380 1
1 1026 . 19 1 1 A 89 89 LYS H H 89 8.721 7.562 1.159 1
1 1027 . 19 1 1 A 89 89 LYS HA H 89 4.315 4.889 -0.574 1
1 1036 . 19 1 1 A 89 89 LYS C C 89 176.659 174.991 1.668 1
1 1037 . 19 1 1 A 89 89 LYS CA C 89 56.860 54.221 2.639 1
1 1038 . 19 1 1 A 89 89 LYS CB C 89 33.540 35.865 -2.325 1
1 1042 . 19 1 1 A 89 89 LYS N N 89 123.614 119.849 3.765 1
1 1043 . 19 1 1 A 90 90 ARG H H 90 8.415 8.504 -0.089 1
1 1044 . 19 1 1 A 90 90 ARG HA H 90 4.299 4.463 -0.164 1
1 1051 . 19 1 1 A 90 90 ARG C C 90 176.041 176.311 -0.270 1
1 1052 . 19 1 1 A 90 90 ARG CA C 90 56.030 56.009 0.021 1
1 1053 . 19 1 1 A 90 90 ARG CB C 90 29.470 31.045 -1.575 1
1 1056 . 19 1 1 A 90 90 ARG N N 90 121.880 121.422 0.458 1
1 1057 . 19 1 1 A 91 91 ILE H H 91 8.334 8.384 -0.050 1
1 1058 . 19 1 1 A 91 91 ILE HA H 91 3.668 4.437 -0.769 1
1 1068 . 19 1 1 A 91 91 ILE C C 91 175.003 176.241 -1.238 1
1 1069 . 19 1 1 A 91 91 ILE CA C 91 61.810 60.027 1.783 1
1 1070 . 19 1 1 A 91 91 ILE CB C 91 38.920 38.721 0.199 1
1 1074 . 19 1 1 A 91 91 ILE N N 91 128.410 125.441 2.969 1
1 1075 . 19 1 1 A 92 92 SER H H 92 8.551 8.531 0.020 1
1 1076 . 19 1 1 A 92 92 SER HA H 92 4.180 4.418 -0.238 1
1 1079 . 19 1 1 A 92 92 SER C C 92 175.108 175.068 0.040 1
1 1080 . 19 1 1 A 92 92 SER CA C 92 58.460 59.219 -0.759 1
1 1081 . 19 1 1 A 92 92 SER CB C 92 64.180 63.557 0.623 1
1 1082 . 19 1 1 A 92 92 SER N N 92 124.170 120.526 3.644 1
1 1083 . 19 1 1 A 93 93 GLU H H 93 8.912 8.932 -0.020 1
1 1084 . 19 1 1 A 93 93 GLU HA H 93 3.939 3.967 -0.028 1
1 1089 . 19 1 1 A 93 93 GLU C C 93 178.144 177.985 0.159 1
1 1090 . 19 1 1 A 93 93 GLU CA C 93 60.080 59.101 0.979 1
1 1091 . 19 1 1 A 93 93 GLU CB C 93 29.960 29.493 0.467 1
1 1093 . 19 1 1 A 93 93 GLU N N 93 123.996 124.655 -0.659 1
1 1094 . 19 1 1 A 94 94 ASP H H 94 8.311 8.321 -0.010 1
1 1095 . 19 1 1 A 94 94 ASP HA H 94 4.252 4.435 -0.183 1
1 1098 . 19 1 1 A 94 94 ASP C C 94 178.472 178.857 -0.385 1
1 1099 . 19 1 1 A 94 94 ASP CA C 94 57.240 56.542 0.698 1
1 1100 . 19 1 1 A 94 94 ASP CB C 94 40.420 40.130 0.290 1
1 1101 . 19 1 1 A 94 94 ASP N N 94 116.432 120.392 -3.960 1
1 1102 . 19 1 1 A 95 95 ARG H H 95 7.365 7.942 -0.577 1
1 1103 . 19 1 1 A 95 95 ARG HA H 95 4.067 4.065 0.002 1
1 1110 . 19 1 1 A 95 95 ARG C C 95 177.237 178.251 -1.014 1
1 1111 . 19 1 1 A 95 95 ARG CA C 95 58.870 58.306 0.564 1
1 1112 . 19 1 1 A 95 95 ARG CB C 95 29.100 30.162 -1.062 1
1 1115 . 19 1 1 A 95 95 ARG N N 95 121.517 120.718 0.799 1
1 1116 . 19 1 1 A 96 96 LEU H H 96 7.831 7.849 -0.018 1
1 1117 . 19 1 1 A 96 96 LEU HA H 96 3.735 3.913 -0.178 1
1 1127 . 19 1 1 A 96 96 LEU C C 96 177.855 179.356 -1.501 1
1 1128 . 19 1 1 A 96 96 LEU CA C 96 56.930 56.734 0.196 1
1 1129 . 19 1 1 A 96 96 LEU CB C 96 41.300 41.455 -0.155 1
1 1133 . 19 1 1 A 96 96 LEU N N 96 119.073 119.248 -0.175 1
1 1134 . 19 1 1 A 97 97 LYS H H 97 8.098 8.337 -0.239 1
1 1135 . 19 1 1 A 97 97 LYS HA H 97 4.014 4.313 -0.299 1
1 1144 . 19 1 1 A 97 97 LYS C C 97 178.433 178.606 -0.173 1
1 1145 . 19 1 1 A 97 97 LYS CA C 97 59.080 59.031 0.049 1
1 1146 . 19 1 1 A 97 97 LYS CB C 97 32.830 31.923 0.907 1
1 1150 . 19 1 1 A 97 97 LYS N N 97 114.647 118.584 -3.937 1
1 1151 . 19 1 1 A 98 98 ALA H H 98 7.011 7.446 -0.435 1
1 1152 . 19 1 1 A 98 98 ALA HA H 98 4.196 4.371 -0.175 1
1 1156 . 19 1 1 A 98 98 ALA C C 98 178.814 177.425 1.389 1
1 1157 . 19 1 1 A 98 98 ALA CA C 98 54.480 53.683 0.797 1
1 1158 . 19 1 1 A 98 98 ALA CB C 98 19.380 19.500 -0.120 1
1 1159 . 19 1 1 A 98 98 ALA N N 98 119.536 120.613 -1.077 1
1 1160 . 19 1 1 A 99 99 VAL H H 99 8.133 7.681 0.452 1
1 1161 . 19 1 1 A 99 99 VAL HA H 99 4.098 4.306 -0.208 1
1 1169 . 19 1 1 A 99 99 VAL CA C 99 58.260 58.643 -0.383 1
1 1170 . 19 1 1 A 99 99 VAL CB C 99 32.530 31.730 0.800 1
1 1173 . 19 1 1 A 99 99 VAL N N 99 114.735 116.756 -2.021 1
1 1174 . 19 1 1 A 100 100 PRO HA H 100 4.761 4.367 0.394 1
1 1181 . 19 1 1 A 100 100 PRO C C 100 175.437 176.963 -1.526 1
1 1182 . 19 1 1 A 100 100 PRO CA C 100 65.370 63.973 1.397 1
1 1183 . 19 1 1 A 100 100 PRO CB C 100 31.190 31.886 -0.696 1
1 1186 . 19 1 1 A 101 101 TYR H H 101 6.053 7.557 -1.504 1
1 1187 . 19 1 1 A 101 101 TYR HA H 101 4.463 4.652 -0.189 1
1 1194 . 19 1 1 A 101 101 TYR C C 101 175.871 176.091 -0.220 1
1 1195 . 19 1 1 A 101 101 TYR CA C 101 53.920 57.433 -3.513 1
1 1196 . 19 1 1 A 101 101 TYR CB C 101 38.230 39.169 -0.939 1
1 1199 . 19 1 1 A 101 101 TYR N N 101 108.211 115.499 -7.288 1
1 1200 . 19 1 1 A 102 102 THR H H 102 7.466 6.877 0.589 1
1 1201 . 19 1 1 A 102 102 THR HA H 102 4.384 4.386 -0.002 1
1 1206 . 19 1 1 A 102 102 THR CA C 102 60.030 59.599 0.431 1
1 1207 . 19 1 1 A 102 102 THR CB C 102 69.600 69.641 -0.041 1
1 1209 . 19 1 1 A 102 102 THR N N 102 120.556 115.730 4.826 1
1 1210 . 19 1 1 A 103 103 PRO HA H 103 4.244 4.326 -0.082 1
1 1217 . 19 1 1 A 103 103 PRO C C 103 176.344 175.903 0.441 1
1 1218 . 19 1 1 A 103 103 PRO CA C 103 62.400 63.947 -1.547 1
1 1219 . 19 1 1 A 103 103 PRO CB C 103 32.250 31.473 0.777 1
1 1222 . 19 1 1 A 104 104 PHE H H 104 7.365 6.772 0.593 1
1 1223 . 19 1 1 A 104 104 PHE HA H 104 6.207 5.022 1.185 1
1 1230 . 19 1 1 A 104 104 PHE C C 104 176.133 175.483 0.650 1
1 1231 . 19 1 1 A 104 104 PHE CA C 104 55.220 56.888 -1.668 1
1 1232 . 19 1 1 A 104 104 PHE CB C 104 44.480 41.487 2.993 1
1 1235 . 19 1 1 A 104 104 PHE N N 104 115.933 118.227 -2.294 1
1 1236 . 19 1 1 A 105 105 CYS H H 105 9.248 8.407 0.841 1
1 1237 . 19 1 1 A 105 105 CYS HA H 105 4.638 4.877 -0.239 1
1 1240 . 19 1 1 A 105 105 CYS C C 105 174.254 175.744 -1.490 1
1 1241 . 19 1 1 A 105 105 CYS CA C 105 58.060 57.107 0.953 1
1 1242 . 19 1 1 A 105 105 CYS CB C 105 31.250 29.850 1.400 1
1 1243 . 19 1 1 A 105 105 CYS N N 105 118.999 119.760 -0.761 1
1 1244 . 19 1 1 A 106 106 GLN H H 106 8.865 8.960 -0.095 1
1 1245 . 19 1 1 A 106 106 GLN HA H 106 3.611 3.988 -0.377 1
1 1252 . 19 1 1 A 106 106 GLN C C 106 177.250 177.639 -0.389 1
1 1253 . 19 1 1 A 106 106 GLN CA C 106 59.430 59.030 0.400 1
1 1254 . 19 1 1 A 106 106 GLN CB C 106 28.750 28.201 0.549 1
1 1256 . 19 1 1 A 106 106 GLN N N 106 119.606 122.281 -2.675 1
1 1258 . 19 1 1 A 107 107 GLU H H 107 8.134 8.221 -0.087 1
1 1259 . 19 1 1 A 107 107 GLU HA H 107 3.959 4.015 -0.056 1
1 1264 . 19 1 1 A 107 107 GLU C C 107 179.616 179.068 0.548 1
1 1265 . 19 1 1 A 107 107 GLU CA C 107 60.110 59.216 0.894 1
1 1266 . 19 1 1 A 107 107 GLU CB C 107 29.990 29.847 0.143 1
1 1268 . 19 1 1 A 107 107 GLU N N 107 119.554 119.517 0.037 1
1 1269 . 19 1 1 A 108 108 CYS H H 108 8.681 7.818 0.863 1
1 1270 . 19 1 1 A 108 108 CYS HA H 108 3.783 4.106 -0.323 1
1 1273 . 19 1 1 A 108 108 CYS C C 108 177.868 176.919 0.949 1
1 1274 . 19 1 1 A 108 108 CYS CA C 108 64.110 63.245 0.865 1
1 1275 . 19 1 1 A 108 108 CYS CB C 108 29.270 26.840 2.430 1
1 1276 . 19 1 1 A 108 108 CYS N N 108 123.406 118.763 4.643 1
1 1277 . 19 1 1 A 109 109 ALA H H 109 8.094 8.341 -0.247 1
1 1278 . 19 1 1 A 109 109 ALA HA H 109 3.693 4.081 -0.388 1
1 1282 . 19 1 1 A 109 109 ALA C C 109 178.591 179.987 -1.396 1
1 1283 . 19 1 1 A 109 109 ALA CA C 109 53.710 55.007 -1.297 1
1 1284 . 19 1 1 A 109 109 ALA CB C 109 18.430 18.291 0.139 1
1 1285 . 19 1 1 A 109 109 ALA N N 109 120.579 122.607 -2.028 1
1 1286 . 19 1 1 A 110 110 ALA H H 110 7.402 7.667 -0.265 1
1 1287 . 19 1 1 A 110 110 ALA HA H 110 4.111 4.167 -0.056 1
1 1291 . 19 1 1 A 110 110 ALA C C 110 177.408 177.912 -0.504 1
1 1292 . 19 1 1 A 110 110 ALA CA C 110 53.000 53.529 -0.529 1
1 1293 . 19 1 1 A 110 110 ALA CB C 110 18.710 18.598 0.112 1
1 1294 . 19 1 1 A 110 110 ALA N N 110 118.992 119.492 -0.500 1
1 1295 . 19 1 1 A 111 111 ALA H H 111 7.247 7.472 -0.225 1
1 1296 . 19 1 1 A 111 111 ALA HA H 111 4.300 4.459 -0.159 1
1 1300 . 19 1 1 A 111 111 ALA C C 111 176.488 177.100 -0.612 1
1 1301 . 19 1 1 A 111 111 ALA CA C 111 51.840 51.277 0.563 1
1 1302 . 19 1 1 A 111 111 ALA CB C 111 19.210 18.878 0.332 1
1 1303 . 19 1 1 A 111 111 ALA N N 111 120.857 119.186 1.671 1
1 19 . 20 1 1 A 2 2 ALA H H 2 8.460 8.704 -0.244 1
1 20 . 20 1 1 A 2 2 ALA HA H 2 4.304 4.865 -0.561 1
1 24 . 20 1 1 A 2 2 ALA C C 2 178.183 177.803 0.380 1
1 25 . 20 1 1 A 2 2 ALA CA C 2 52.760 51.507 1.253 1
1 26 . 20 1 1 A 2 2 ALA CB C 2 19.150 19.879 -0.729 1
1 27 . 20 1 1 A 2 2 ALA N N 2 125.375 128.032 -2.657 1
1 28 . 20 1 1 A 3 3 GLY H H 3 8.343 8.496 -0.153 1
1 29 . 20 1 1 A 3 3 GLY N N 3 108.577 109.427 -0.850 1
1 30 . 20 1 1 A 5 5 LYS HA H 5 4.355 4.173 0.182 1
1 39 . 20 1 1 A 5 5 LYS CA C 5 56.170 59.482 -3.312 1
1 40 . 20 1 1 A 5 5 LYS CB C 5 33.170 32.315 0.855 1
1 44 . 20 1 1 A 6 6 SER HA H 6 4.429 4.508 -0.079 1
1 47 . 20 1 1 A 6 6 SER CA C 6 58.390 60.914 -2.524 1
1 48 . 20 1 1 A 6 6 SER CB C 6 64.040 64.445 -0.405 1
1 49 . 20 1 1 A 7 7 MET HA H 7 4.435 4.770 -0.335 1
1 57 . 20 1 1 A 7 7 MET CA C 7 55.610 56.248 -0.638 1
1 58 . 20 1 1 A 7 7 MET CB C 7 33.550 34.979 -1.429 1
1 61 . 20 1 1 A 8 8 ASN HA H 8 4.837 4.322 0.515 1
1 66 . 20 1 1 A 8 8 ASN C C 8 175.910 175.138 0.772 1
1 67 . 20 1 1 A 8 8 ASN CA C 8 52.310 54.042 -1.732 1
1 68 . 20 1 1 A 8 8 ASN CB C 8 38.190 36.672 1.518 1
1 70 . 20 1 1 A 9 9 VAL H H 9 8.400 7.763 0.637 1
1 71 . 20 1 1 A 9 9 VAL HA H 9 3.908 4.020 -0.112 1
1 79 . 20 1 1 A 9 9 VAL C C 9 176.738 177.807 -1.069 1
1 80 . 20 1 1 A 9 9 VAL CA C 9 65.550 66.865 -1.315 1
1 81 . 20 1 1 A 9 9 VAL CB C 9 31.970 31.436 0.534 1
1 84 . 20 1 1 A 9 9 VAL N N 9 121.216 117.439 3.777 1
1 85 . 20 1 1 A 10 10 GLU H H 10 8.596 8.346 0.250 1
1 86 . 20 1 1 A 10 10 GLU HA H 10 4.077 4.077 0.000 1
1 91 . 20 1 1 A 10 10 GLU C C 10 178.985 179.256 -0.271 1
1 92 . 20 1 1 A 10 10 GLU CA C 10 59.390 59.300 0.090 1
1 93 . 20 1 1 A 10 10 GLU CB C 10 29.000 29.096 -0.096 1
1 95 . 20 1 1 A 10 10 GLU N N 10 121.274 120.585 0.689 1
1 96 . 20 1 1 A 11 11 SER H H 11 7.841 7.746 0.095 1
1 97 . 20 1 1 A 11 11 SER HA H 11 4.138 4.115 0.023 1
1 100 . 20 1 1 A 11 11 SER C C 11 176.817 176.139 0.678 1
1 101 . 20 1 1 A 11 11 SER CA C 11 60.790 62.150 -1.360 1
1 102 . 20 1 1 A 11 11 SER CB C 11 62.470 63.120 -0.650 1
1 103 . 20 1 1 A 11 11 SER N N 11 115.238 117.207 -1.969 1
1 104 . 20 1 1 A 12 12 TYR H H 12 7.284 7.489 -0.205 1
1 105 . 20 1 1 A 12 12 TYR HA H 12 4.104 4.379 -0.275 1
1 112 . 20 1 1 A 12 12 TYR C C 12 177.132 178.150 -1.018 1
1 113 . 20 1 1 A 12 12 TYR CA C 12 62.060 61.347 0.713 1
1 114 . 20 1 1 A 12 12 TYR CB C 12 38.710 37.585 1.125 1
1 117 . 20 1 1 A 12 12 TYR N N 12 120.370 120.044 0.326 1
1 118 . 20 1 1 A 13 13 GLU H H 13 8.490 8.109 0.381 1
1 119 . 20 1 1 A 13 13 GLU HA H 13 3.432 3.869 -0.437 1
1 124 . 20 1 1 A 13 13 GLU C C 13 177.303 178.835 -1.532 1
1 125 . 20 1 1 A 13 13 GLU CA C 13 60.660 59.691 0.969 1
1 126 . 20 1 1 A 13 13 GLU CB C 13 29.200 29.352 -0.152 1
1 128 . 20 1 1 A 13 13 GLU N N 13 120.162 120.548 -0.386 1
1 129 . 20 1 1 A 14 14 LYS H H 14 7.454 7.742 -0.288 1
1 130 . 20 1 1 A 14 14 LYS HA H 14 3.900 4.069 -0.169 1
1 139 . 20 1 1 A 14 14 LYS C C 14 178.249 178.734 -0.485 1
1 140 . 20 1 1 A 14 14 LYS CA C 14 59.620 59.023 0.597 1
1 141 . 20 1 1 A 14 14 LYS CB C 14 32.420 32.155 0.265 1
1 145 . 20 1 1 A 14 14 LYS N N 14 117.838 118.162 -0.324 1
1 146 . 20 1 1 A 15 15 ILE H H 15 7.409 7.621 -0.212 1
1 147 . 20 1 1 A 15 15 ILE HA H 15 3.822 3.989 -0.167 1
1 157 . 20 1 1 A 15 15 ILE C C 15 179.668 178.016 1.652 1
1 158 . 20 1 1 A 15 15 ILE CA C 15 65.030 63.400 1.630 1
1 159 . 20 1 1 A 15 15 ILE CB C 15 38.950 37.760 1.190 1
1 163 . 20 1 1 A 15 15 ILE N N 15 118.597 120.517 -1.920 1
1 164 . 20 1 1 A 16 16 LEU H H 16 8.407 7.969 0.438 1
1 165 . 20 1 1 A 16 16 LEU HA H 16 3.992 3.987 0.005 1
1 175 . 20 1 1 A 16 16 LEU C C 16 178.512 179.080 -0.568 1
1 176 . 20 1 1 A 16 16 LEU CA C 16 58.230 57.931 0.299 1
1 177 . 20 1 1 A 16 16 LEU CB C 16 42.130 41.150 0.980 1
1 181 . 20 1 1 A 16 16 LEU N N 16 120.642 121.064 -0.422 1
1 182 . 20 1 1 A 17 17 ARG H H 17 8.789 8.253 0.536 1
1 183 . 20 1 1 A 17 17 ARG HA H 17 3.917 4.043 -0.126 1
1 190 . 20 1 1 A 17 17 ARG C C 17 179.602 178.958 0.644 1
1 191 . 20 1 1 A 17 17 ARG CA C 17 60.080 59.606 0.474 1
1 192 . 20 1 1 A 17 17 ARG CB C 17 29.620 30.246 -0.626 1
1 195 . 20 1 1 A 17 17 ARG N N 17 119.196 119.063 0.133 1
1 196 . 20 1 1 A 18 18 ASP H H 18 8.638 8.170 0.468 1
1 197 . 20 1 1 A 18 18 ASP HA H 18 4.418 4.390 0.028 1
1 200 . 20 1 1 A 18 18 ASP C C 18 179.116 179.110 0.006 1
1 201 . 20 1 1 A 18 18 ASP CA C 18 57.330 57.277 0.053 1
1 202 . 20 1 1 A 18 18 ASP CB C 18 39.700 40.182 -0.482 1
1 203 . 20 1 1 A 18 18 ASP N N 18 121.383 119.983 1.400 1
1 204 . 20 1 1 A 19 19 ARG H H 19 7.947 8.046 -0.099 1
1 205 . 20 1 1 A 19 19 ARG HA H 19 4.180 4.122 0.058 1
1 212 . 20 1 1 A 19 19 ARG C C 19 177.855 178.665 -0.810 1
1 213 . 20 1 1 A 19 19 ARG CA C 19 57.680 59.778 -2.098 1
1 214 . 20 1 1 A 19 19 ARG CB C 19 29.540 29.712 -0.172 1
1 217 . 20 1 1 A 19 19 ARG N N 19 121.506 119.593 1.913 1
1 218 . 20 1 1 A 20 20 GLN H H 20 8.691 8.146 0.545 1
1 219 . 20 1 1 A 20 20 GLN HA H 20 3.589 4.033 -0.444 1
1 226 . 20 1 1 A 20 20 GLN C C 20 176.896 178.078 -1.182 1
1 227 . 20 1 1 A 20 20 GLN CA C 20 59.620 58.731 0.889 1
1 228 . 20 1 1 A 20 20 GLN CB C 20 30.020 27.999 2.021 1
1 230 . 20 1 1 A 20 20 GLN N N 20 120.162 118.675 1.487 1
1 232 . 20 1 1 A 21 21 ARG H H 21 7.959 7.789 0.170 1
1 233 . 20 1 1 A 21 21 ARG HA H 21 3.973 4.310 -0.337 1
1 240 . 20 1 1 A 21 21 ARG C C 21 178.985 179.086 -0.101 1
1 241 . 20 1 1 A 21 21 ARG CA C 21 59.800 58.856 0.944 1
1 242 . 20 1 1 A 21 21 ARG CB C 21 29.980 30.101 -0.121 1
1 245 . 20 1 1 A 21 21 ARG N N 21 117.219 119.175 -1.956 1
1 246 . 20 1 1 A 22 22 GLU H H 22 7.700 8.061 -0.361 1
1 247 . 20 1 1 A 22 22 GLU HA H 22 4.076 4.050 0.026 1
1 252 . 20 1 1 A 22 22 GLU C C 22 179.090 179.193 -0.103 1
1 253 . 20 1 1 A 22 22 GLU CA C 22 58.950 59.187 -0.237 1
1 254 . 20 1 1 A 22 22 GLU CB C 22 29.580 29.094 0.486 1
1 256 . 20 1 1 A 22 22 GLU N N 22 119.703 118.450 1.253 1
1 257 . 20 1 1 A 23 23 LEU H H 23 8.264 7.977 0.287 1
1 258 . 20 1 1 A 23 23 LEU HA H 23 3.979 3.982 -0.003 1
1 268 . 20 1 1 A 23 23 LEU C C 23 179.234 178.882 0.352 1
1 269 . 20 1 1 A 23 23 LEU CA C 23 57.990 57.945 0.045 1
1 270 . 20 1 1 A 23 23 LEU CB C 23 42.370 42.019 0.351 1
1 274 . 20 1 1 A 23 23 LEU N N 23 119.988 121.619 -1.631 1
1 275 . 20 1 1 A 24 24 TYR H H 24 8.688 8.428 0.260 1
1 276 . 20 1 1 A 24 24 TYR HA H 24 4.084 4.456 -0.372 1
1 283 . 20 1 1 A 24 24 TYR C C 24 178.630 178.772 -0.142 1
1 284 . 20 1 1 A 24 24 TYR CA C 24 61.670 61.518 0.152 1
1 285 . 20 1 1 A 24 24 TYR CB C 24 37.780 38.394 -0.614 1
1 288 . 20 1 1 A 24 24 TYR N N 24 119.101 118.756 0.345 1
1 289 . 20 1 1 A 25 25 ARG H H 25 7.945 8.228 -0.283 1
1 290 . 20 1 1 A 25 25 ARG HA H 25 4.043 4.168 -0.125 1
1 297 . 20 1 1 A 25 25 ARG C C 25 178.683 178.637 0.046 1
1 298 . 20 1 1 A 25 25 ARG CA C 25 59.460 58.830 0.630 1
1 299 . 20 1 1 A 25 25 ARG CB C 25 30.160 29.787 0.373 1
1 302 . 20 1 1 A 25 25 ARG N N 25 118.297 118.253 0.044 1
1 303 . 20 1 1 A 26 26 ARG H H 26 7.726 7.587 0.139 1
1 304 . 20 1 1 A 26 26 ARG HA H 26 4.067 4.039 0.028 1
1 311 . 20 1 1 A 26 26 ARG C C 26 177.986 179.088 -1.102 1
1 312 . 20 1 1 A 26 26 ARG CA C 26 58.300 59.029 -0.729 1
1 313 . 20 1 1 A 26 26 ARG CB C 26 30.670 29.697 0.973 1
1 316 . 20 1 1 A 26 26 ARG N N 26 118.100 119.869 -1.769 1
1 317 . 20 1 1 A 27 27 LEU H H 27 7.971 8.070 -0.099 1
1 318 . 20 1 1 A 27 27 LEU HA H 27 4.095 4.008 0.087 1
1 328 . 20 1 1 A 27 27 LEU C C 27 177.461 177.614 -0.153 1
1 329 . 20 1 1 A 27 27 LEU CA C 27 56.260 57.496 -1.236 1
1 330 . 20 1 1 A 27 27 LEU CB C 27 42.260 41.136 1.124 1
1 334 . 20 1 1 A 27 27 LEU N N 27 118.633 117.365 1.268 1
1 335 . 20 1 1 A 28 28 HIS H H 28 7.863 7.789 0.074 1
1 336 . 20 1 1 A 28 28 HIS HA H 28 4.482 4.804 -0.322 1
1 341 . 20 1 1 A 28 28 HIS C C 28 174.741 176.343 -1.602 1
1 342 . 20 1 1 A 28 28 HIS CA C 28 56.310 56.070 0.240 1
1 343 . 20 1 1 A 28 28 HIS CB C 28 29.300 29.247 0.053 1
1 346 . 20 1 1 A 28 28 HIS N N 28 116.767 117.554 -0.787 1
1 347 . 20 1 1 A 29 29 LYS H H 29 7.893 7.981 -0.088 1
1 348 . 20 1 1 A 29 29 LYS HA H 29 4.172 4.007 0.165 1
1 357 . 20 1 1 A 29 29 LYS C C 29 176.357 178.042 -1.685 1
1 358 . 20 1 1 A 29 29 LYS CA C 29 56.830 58.903 -2.073 1
1 359 . 20 1 1 A 29 29 LYS CB C 29 32.000 31.508 0.492 1
1 363 . 20 1 1 A 29 29 LYS N N 29 120.331 118.380 1.951 1
1 364 . 20 1 1 A 30 30 ILE H H 30 7.995 7.598 0.397 1
1 365 . 20 1 1 A 30 30 ILE HA H 30 4.085 3.843 0.242 1
1 375 . 20 1 1 A 30 30 ILE C C 30 176.344 177.574 -1.230 1
1 376 . 20 1 1 A 30 30 ILE CA C 30 61.440 64.303 -2.863 1
1 377 . 20 1 1 A 30 30 ILE CB C 30 39.020 37.624 1.396 1
1 381 . 20 1 1 A 30 30 ILE N N 30 120.440 118.052 2.388 1
1 382 . 20 1 1 A 31 31 GLU H H 31 8.367 7.873 0.494 1
1 383 . 20 1 1 A 31 31 GLU HA H 31 4.159 4.581 -0.422 1
1 388 . 20 1 1 A 31 31 GLU C C 31 176.265 176.213 0.052 1
1 389 . 20 1 1 A 31 31 GLU CA C 31 56.890 56.391 0.499 1
1 390 . 20 1 1 A 31 31 GLU CB C 31 30.050 31.386 -1.336 1
1 392 . 20 1 1 A 31 31 GLU N N 31 124.043 117.927 6.116 1
1 393 . 20 1 1 A 32 32 ALA H H 32 8.138 7.756 0.382 1
1 394 . 20 1 1 A 32 32 ALA HA H 32 4.175 4.418 -0.243 1
1 398 . 20 1 1 A 32 32 ALA C C 32 177.198 177.042 0.156 1
1 399 . 20 1 1 A 32 32 ALA CA C 32 52.620 51.948 0.672 1
1 400 . 20 1 1 A 32 32 ALA CB C 32 19.490 20.367 -0.877 1
1 401 . 20 1 1 A 32 32 ALA N N 32 124.170 123.085 1.085 1
1 402 . 20 1 1 A 33 33 ASP H H 33 8.157 9.139 -0.982 1
1 403 . 20 1 1 A 33 33 ASP HA H 33 4.467 5.632 -1.165 1
1 406 . 20 1 1 A 33 33 ASP C C 33 175.910 174.888 1.022 1
1 407 . 20 1 1 A 33 33 ASP CA C 33 54.500 52.276 2.224 1
1 408 . 20 1 1 A 33 33 ASP CB C 33 40.750 44.960 -4.210 1
1 409 . 20 1 1 A 33 33 ASP N N 33 118.904 120.083 -1.179 1
1 410 . 20 1 1 A 34 34 PHE H H 34 7.884 8.805 -0.921 1
1 411 . 20 1 1 A 34 34 PHE HA H 34 4.514 4.832 -0.318 1
1 418 . 20 1 1 A 34 34 PHE C C 34 175.319 175.373 -0.054 1
1 419 . 20 1 1 A 34 34 PHE CA C 34 57.610 56.550 1.060 1
1 420 . 20 1 1 A 34 34 PHE CB C 34 39.840 39.704 0.136 1
1 423 . 20 1 1 A 34 34 PHE N N 34 119.439 123.147 -3.708 1
1 424 . 20 1 1 A 35 35 GLU H H 35 8.084 7.650 0.434 1
1 425 . 20 1 1 A 35 35 GLU HA H 35 4.190 4.011 0.179 1
1 430 . 20 1 1 A 35 35 GLU C C 35 175.634 176.984 -1.350 1
1 431 . 20 1 1 A 35 35 GLU CA C 35 56.140 59.857 -3.717 1
1 432 . 20 1 1 A 35 35 GLU CB C 35 30.810 29.814 0.996 1
1 434 . 20 1 1 A 35 35 GLU N N 35 122.340 123.801 -1.461 1
1 435 . 20 1 1 A 36 36 GLU H H 36 8.172 7.760 0.412 1
1 436 . 20 1 1 A 36 36 GLU HA H 36 4.442 4.528 -0.086 1
1 441 . 20 1 1 A 36 36 GLU CA C 36 54.300 53.642 0.658 1
1 442 . 20 1 1 A 36 36 GLU CB C 36 29.490 31.105 -1.615 1
1 444 . 20 1 1 A 36 36 GLU N N 36 123.278 119.791 3.487 1
1 445 . 20 1 1 A 37 37 PRO HA H 37 4.339 4.066 0.273 1
1 452 . 20 1 1 A 37 37 PRO C C 37 175.818 175.990 -0.172 1
1 453 . 20 1 1 A 37 37 PRO CA C 37 62.800 62.336 0.464 1
1 454 . 20 1 1 A 37 37 PRO CB C 37 31.900 30.352 1.548 1
1 457 . 20 1 1 A 38 38 ARG H H 38 8.412 7.497 0.915 1
1 458 . 20 1 1 A 38 38 ARG HA H 38 4.255 4.653 -0.398 1
1 465 . 20 1 1 A 38 38 ARG C C 38 175.818 176.428 -0.610 1
1 466 . 20 1 1 A 38 38 ARG CA C 38 55.350 55.519 -0.169 1
1 467 . 20 1 1 A 38 38 ARG CB C 38 31.010 31.884 -0.874 1
1 470 . 20 1 1 A 38 38 ARG N N 38 121.791 123.897 -2.106 1
1 471 . 20 1 1 A 39 39 ASN H H 39 8.624 8.874 -0.250 1
1 472 . 20 1 1 A 39 39 ASN HA H 39 4.906 4.943 -0.037 1
1 477 . 20 1 1 A 39 39 ASN CA C 39 51.100 51.924 -0.824 1
1 478 . 20 1 1 A 39 39 ASN CB C 39 38.560 37.877 0.683 1
1 479 . 20 1 1 A 39 39 ASN N N 39 121.594 120.469 1.125 1
1 481 . 20 1 1 A 40 40 PRO HA H 40 4.310 4.409 -0.099 1
1 488 . 20 1 1 A 40 40 PRO C C 40 176.896 177.082 -0.186 1
1 489 . 20 1 1 A 40 40 PRO CA C 40 63.970 65.726 -1.756 1
1 490 . 20 1 1 A 40 40 PRO CB C 40 32.210 31.683 0.527 1
1 493 . 20 1 1 A 41 41 ASP H H 41 8.219 8.742 -0.523 1
1 494 . 20 1 1 A 41 41 ASP HA H 41 4.516 4.692 -0.176 1
1 497 . 20 1 1 A 41 41 ASP C C 41 176.252 176.818 -0.566 1
1 498 . 20 1 1 A 41 41 ASP CA C 41 54.740 53.353 1.387 1
1 499 . 20 1 1 A 41 41 ASP CB C 41 41.100 40.219 0.881 1
1 500 . 20 1 1 A 41 41 ASP N N 41 118.818 115.717 3.101 1
1 501 . 20 1 1 A 42 42 ASP H H 42 7.949 7.678 0.271 1
1 502 . 20 1 1 A 42 42 ASP HA H 42 4.516 4.344 0.172 1
1 505 . 20 1 1 A 42 42 ASP C C 42 176.567 178.285 -1.718 1
1 506 . 20 1 1 A 42 42 ASP CA C 42 54.910 57.599 -2.689 1
1 507 . 20 1 1 A 42 42 ASP CB C 42 41.100 41.778 -0.678 1
1 508 . 20 1 1 A 42 42 ASP N N 42 120.104 120.887 -0.783 1
1 509 . 20 1 1 A 43 43 GLU H H 43 8.179 7.851 0.328 1
1 510 . 20 1 1 A 43 43 GLU HA H 43 4.153 4.056 0.097 1
1 515 . 20 1 1 A 43 43 GLU C C 43 176.488 176.638 -0.150 1
1 516 . 20 1 1 A 43 43 GLU CA C 43 57.070 59.345 -2.275 1
1 517 . 20 1 1 A 43 43 GLU CB C 43 30.430 29.717 0.713 1
1 519 . 20 1 1 A 43 43 GLU N N 43 121.153 119.196 1.957 1
1 520 . 20 1 1 A 44 44 ASP H H 44 8.325 8.220 0.105 1
1 521 . 20 1 1 A 44 44 ASP HA H 44 4.517 4.507 0.010 1
1 524 . 20 1 1 A 44 44 ASP C C 44 176.462 175.267 1.195 1
1 525 . 20 1 1 A 44 44 ASP CA C 44 54.360 56.495 -2.135 1
1 526 . 20 1 1 A 44 44 ASP CB C 44 41.030 40.538 0.492 1
1 527 . 20 1 1 A 44 44 ASP N N 44 121.100 119.152 1.948 1
1 528 . 20 1 1 A 45 45 ARG H H 45 8.106 8.126 -0.020 1
1 529 . 20 1 1 A 45 45 ARG HA H 45 4.252 4.530 -0.278 1
1 536 . 20 1 1 A 45 45 ARG C C 45 176.475 174.432 2.043 1
1 537 . 20 1 1 A 45 45 ARG CA C 45 56.000 55.183 0.817 1
1 538 . 20 1 1 A 45 45 ARG CB C 45 30.360 30.679 -0.319 1
1 541 . 20 1 1 A 45 45 ARG N N 45 121.258 120.509 0.749 1
1 542 . 20 1 1 A 46 46 ALA H H 46 8.235 7.663 0.572 1
1 543 . 20 1 1 A 46 46 ALA HA H 46 4.220 4.211 0.009 1
1 547 . 20 1 1 A 46 46 ALA C C 46 178.196 177.128 1.068 1
1 548 . 20 1 1 A 46 46 ALA CA C 46 53.070 52.881 0.189 1
1 549 . 20 1 1 A 46 46 ALA CB C 46 18.840 19.000 -0.160 1
1 550 . 20 1 1 A 46 46 ALA N N 46 124.506 124.969 -0.463 1
1 551 . 20 1 1 A 47 47 SER H H 47 8.150 8.423 -0.273 1
1 552 . 20 1 1 A 47 47 SER HA H 47 4.331 4.388 -0.057 1
1 555 . 20 1 1 A 47 47 SER C C 47 174.727 173.783 0.944 1
1 556 . 20 1 1 A 47 47 SER CA C 47 58.820 59.020 -0.200 1
1 557 . 20 1 1 A 47 47 SER CB C 47 63.520 63.110 0.410 1
1 558 . 20 1 1 A 47 47 SER N N 47 114.398 117.761 -3.363 1
1 559 . 20 1 1 A 48 48 GLU H H 48 8.235 8.617 -0.382 1
1 560 . 20 1 1 A 48 48 GLU HA H 48 4.244 4.230 0.014 1
1 565 . 20 1 1 A 48 48 GLU C C 48 176.396 175.198 1.198 1
1 566 . 20 1 1 A 48 48 GLU CA C 48 56.550 55.799 0.751 1
1 567 . 20 1 1 A 48 48 GLU CB C 48 30.330 29.483 0.847 1
1 569 . 20 1 1 A 48 48 GLU N N 48 122.340 127.010 -4.670 1
1 570 . 20 1 1 A 49 49 ARG H H 49 8.174 8.273 -0.099 1
1 571 . 20 1 1 A 49 49 ARG HA H 49 4.339 4.334 0.005 1
1 578 . 20 1 1 A 49 49 ARG C C 49 176.344 175.798 0.546 1
1 579 . 20 1 1 A 49 49 ARG CA C 49 55.900 56.030 -0.130 1
1 580 . 20 1 1 A 49 49 ARG CB C 49 30.980 30.721 0.259 1
1 583 . 20 1 1 A 49 49 ARG N N 49 121.431 127.932 -6.501 1
1 584 . 20 1 1 A 50 50 SER H H 50 8.389 8.629 -0.240 1
1 585 . 20 1 1 A 50 50 SER HA H 50 4.392 4.641 -0.249 1
1 588 . 20 1 1 A 50 50 SER C C 50 174.517 174.292 0.225 1
1 589 . 20 1 1 A 50 50 SER CA C 50 58.230 59.736 -1.506 1
1 590 . 20 1 1 A 50 50 SER CB C 50 64.010 63.515 0.495 1
1 591 . 20 1 1 A 50 50 SER N N 50 117.321 120.787 -3.466 1
1 592 . 20 1 1 A 51 51 ASN H H 51 8.488 8.300 0.188 1
1 593 . 20 1 1 A 51 51 ASN HA H 51 4.657 5.587 -0.930 1
1 598 . 20 1 1 A 51 51 ASN C C 51 175.122 175.481 -0.359 1
1 599 . 20 1 1 A 51 51 ASN CA C 51 53.780 51.534 2.246 1
1 600 . 20 1 1 A 51 51 ASN CB C 51 38.770 40.056 -1.286 1
1 601 . 20 1 1 A 51 51 ASN N N 51 120.903 125.198 -4.295 1
1 603 . 20 1 1 A 52 52 ASP H H 52 8.231 9.014 -0.783 1
1 604 . 20 1 1 A 52 52 ASP HA H 52 4.517 4.541 -0.024 1
1 607 . 20 1 1 A 52 52 ASP C C 52 176.291 176.317 -0.026 1
1 608 . 20 1 1 A 52 52 ASP CA C 52 54.500 55.553 -1.053 1
1 609 . 20 1 1 A 52 52 ASP CB C 52 41.170 40.680 0.490 1
1 610 . 20 1 1 A 52 52 ASP N N 52 120.236 121.381 -1.145 1
1 611 . 20 1 1 A 53 53 GLU H H 53 8.139 7.599 0.540 1
1 612 . 20 1 1 A 53 53 GLU HA H 53 4.194 4.591 -0.397 1
1 617 . 20 1 1 A 53 53 GLU C C 53 176.606 177.442 -0.836 1
1 618 . 20 1 1 A 53 53 GLU CA C 53 56.930 55.090 1.840 1
1 619 . 20 1 1 A 53 53 GLU CB C 53 30.500 30.985 -0.485 1
1 621 . 20 1 1 A 53 53 GLU N N 53 120.655 120.343 0.312 1
1 622 . 20 1 1 A 54 54 VAL H H 54 8.061 8.807 -0.746 1
1 623 . 20 1 1 A 54 54 VAL HA H 54 3.978 3.774 0.204 1
1 631 . 20 1 1 A 54 54 VAL C C 54 176.278 176.350 -0.072 1
1 632 . 20 1 1 A 54 54 VAL CA C 54 62.880 65.905 -3.025 1
1 633 . 20 1 1 A 54 54 VAL CB C 54 32.660 32.300 0.360 1
1 636 . 20 1 1 A 54 54 VAL N N 54 121.320 122.381 -1.061 1
1 637 . 20 1 1 A 55 55 LEU H H 55 8.209 7.999 0.210 1
1 638 . 20 1 1 A 55 55 LEU HA H 55 4.273 4.039 0.234 1
1 648 . 20 1 1 A 55 55 LEU C C 55 177.355 176.617 0.738 1
1 649 . 20 1 1 A 55 55 LEU CA C 55 55.290 55.620 -0.330 1
1 650 . 20 1 1 A 55 55 LEU CB C 55 42.190 40.639 1.551 1
1 654 . 20 1 1 A 55 55 LEU N N 55 125.139 121.917 3.222 1
1 655 . 20 1 1 A 56 56 ASP H H 56 8.204 8.513 -0.309 1
1 656 . 20 1 1 A 56 56 ASP HA H 56 4.516 4.438 0.078 1
1 659 . 20 1 1 A 56 56 ASP C C 56 176.633 177.512 -0.879 1
1 660 . 20 1 1 A 56 56 ASP CA C 56 54.360 56.759 -2.399 1
1 661 . 20 1 1 A 56 56 ASP CB C 56 41.070 40.415 0.655 1
1 662 . 20 1 1 A 56 56 ASP N N 56 121.154 126.985 -5.831 1
1 663 . 20 1 1 A 57 57 GLU H H 57 8.316 8.119 0.197 1
1 664 . 20 1 1 A 57 57 GLU HA H 57 4.164 4.231 -0.067 1
1 669 . 20 1 1 A 57 57 GLU C C 57 177.158 178.809 -1.651 1
1 670 . 20 1 1 A 57 57 GLU CA C 57 57.650 58.211 -0.561 1
1 671 . 20 1 1 A 57 57 GLU CB C 57 30.020 29.244 0.776 1
1 673 . 20 1 1 A 57 57 GLU N N 57 120.771 118.998 1.773 1
1 674 . 20 1 1 A 58 58 LEU H H 58 8.204 7.323 0.881 1
1 675 . 20 1 1 A 58 58 LEU HA H 58 4.231 4.394 -0.163 1
1 685 . 20 1 1 A 58 58 LEU C C 58 178.538 177.296 1.242 1
1 686 . 20 1 1 A 58 58 LEU CA C 58 55.690 57.099 -1.409 1
1 687 . 20 1 1 A 58 58 LEU CB C 58 42.230 42.264 -0.034 1
1 691 . 20 1 1 A 58 58 LEU N N 58 120.716 120.042 0.674 1
1 692 . 20 1 1 A 59 59 GLY H H 59 8.212 7.195 1.017 1
1 693 . 20 1 1 A 59 59 GLY HA2 H 59 3.917 4.095 -0.178 1
1 694 . 20 1 1 A 59 59 GLY HA3 H 59 3.917 4.102 -0.185 1
1 695 . 20 1 1 A 59 59 GLY C C 59 174.294 174.802 -0.508 1
1 696 . 20 1 1 A 59 59 GLY CA C 59 45.550 44.981 0.569 1
1 697 . 20 1 1 A 59 59 GLY N N 59 108.670 104.654 4.016 1
1 698 . 20 1 1 A 60 60 GLN H H 60 8.310 9.064 -0.754 1
1 699 . 20 1 1 A 60 60 GLN HA H 60 4.079 3.856 0.223 1
1 706 . 20 1 1 A 60 60 GLN C C 60 177.171 178.132 -0.961 1
1 707 . 20 1 1 A 60 60 GLN CA C 60 57.590 59.078 -1.488 1
1 708 . 20 1 1 A 60 60 GLN CB C 60 28.960 28.646 0.314 1
1 710 . 20 1 1 A 60 60 GLN N N 60 120.662 121.833 -1.171 1
1 712 . 20 1 1 A 61 61 VAL H H 61 8.136 8.047 0.089 1
1 713 . 20 1 1 A 61 61 VAL HA H 61 3.971 3.711 0.260 1
1 721 . 20 1 1 A 61 61 VAL C C 61 178.262 178.109 0.153 1
1 722 . 20 1 1 A 61 61 VAL CA C 61 64.420 66.010 -1.590 1
1 723 . 20 1 1 A 61 61 VAL CB C 61 32.110 31.085 1.025 1
1 726 . 20 1 1 A 61 61 VAL N N 61 119.154 120.204 -1.050 1
1 727 . 20 1 1 A 62 62 GLY H H 62 8.183 8.326 -0.143 1
1 728 . 20 1 1 A 62 62 GLY HA2 H 62 3.966 3.704 0.262 1
1 729 . 20 1 1 A 62 62 GLY HA3 H 62 3.783 3.708 0.075 1
1 730 . 20 1 1 A 62 62 GLY C C 62 174.872 175.789 -0.917 1
1 731 . 20 1 1 A 62 62 GLY CA C 62 46.780 47.046 -0.266 1
1 732 . 20 1 1 A 62 62 GLY N N 62 110.813 108.597 2.216 1
1 733 . 20 1 1 A 63 63 GLN H H 63 8.235 7.745 0.490 1
1 734 . 20 1 1 A 63 63 GLN HA H 63 3.966 3.924 0.042 1
1 741 . 20 1 1 A 63 63 GLN C C 63 178.170 178.260 -0.090 1
1 742 . 20 1 1 A 63 63 GLN CA C 63 58.990 58.594 0.396 1
1 743 . 20 1 1 A 63 63 GLN CB C 63 28.500 28.386 0.114 1
1 745 . 20 1 1 A 63 63 GLN N N 63 120.667 121.508 -0.841 1
1 747 . 20 1 1 A 64 64 ASP H H 64 8.386 8.144 0.242 1
1 748 . 20 1 1 A 64 64 ASP HA H 64 4.347 4.289 0.058 1
1 751 . 20 1 1 A 64 64 ASP C C 64 178.669 178.706 -0.037 1
1 752 . 20 1 1 A 64 64 ASP CA C 64 56.860 57.264 -0.404 1
1 753 . 20 1 1 A 64 64 ASP CB C 64 39.970 41.129 -1.159 1
1 754 . 20 1 1 A 64 64 ASP N N 64 120.058 119.761 0.297 1
1 755 . 20 1 1 A 65 65 GLU H H 65 7.992 7.764 0.228 1
1 756 . 20 1 1 A 65 65 GLU HA H 65 3.542 3.983 -0.441 1
1 761 . 20 1 1 A 65 65 GLU C C 65 177.842 178.447 -0.605 1
1 762 . 20 1 1 A 65 65 GLU CA C 65 59.560 59.149 0.411 1
1 763 . 20 1 1 A 65 65 GLU CB C 65 29.100 29.250 -0.150 1
1 765 . 20 1 1 A 65 65 GLU N N 65 123.846 119.510 4.336 1
1 766 . 20 1 1 A 66 66 LEU H H 66 8.100 8.035 0.065 1
1 767 . 20 1 1 A 66 66 LEU HA H 66 3.783 3.902 -0.119 1
1 777 . 20 1 1 A 66 66 LEU C C 66 178.893 178.419 0.474 1
1 778 . 20 1 1 A 66 66 LEU CA C 66 58.610 57.896 0.714 1
1 779 . 20 1 1 A 66 66 LEU CB C 66 41.510 41.546 -0.036 1
1 783 . 20 1 1 A 66 66 LEU N N 66 119.444 121.267 -1.823 1
1 784 . 20 1 1 A 67 67 ARG H H 67 7.870 8.173 -0.303 1
1 785 . 20 1 1 A 67 67 ARG HA H 67 4.095 3.793 0.302 1
1 792 . 20 1 1 A 67 67 ARG C C 67 179.484 178.208 1.276 1
1 793 . 20 1 1 A 67 67 ARG CA C 67 59.490 60.048 -0.558 1
1 794 . 20 1 1 A 67 67 ARG CB C 67 30.230 29.756 0.474 1
1 797 . 20 1 1 A 67 67 ARG N N 67 118.088 119.333 -1.245 1
1 798 . 20 1 1 A 68 68 ALA H H 68 7.820 7.636 0.184 1
1 799 . 20 1 1 A 68 68 ALA HA H 68 4.188 4.044 0.144 1
1 803 . 20 1 1 A 68 68 ALA C C 68 181.626 179.901 1.725 1
1 804 . 20 1 1 A 68 68 ALA CA C 68 54.840 55.133 -0.293 1
1 805 . 20 1 1 A 68 68 ALA CB C 68 18.400 18.021 0.379 1
1 806 . 20 1 1 A 68 68 ALA N N 68 123.318 122.434 0.884 1
1 807 . 20 1 1 A 69 69 ILE H H 69 8.643 7.569 1.074 1
1 808 . 20 1 1 A 69 69 ILE HA H 69 3.539 3.626 -0.087 1
1 818 . 20 1 1 A 69 69 ILE C C 69 177.290 177.605 -0.315 1
1 819 . 20 1 1 A 69 69 ILE CA C 69 66.370 65.506 0.864 1
1 820 . 20 1 1 A 69 69 ILE CB C 69 38.090 37.710 0.380 1
1 824 . 20 1 1 A 69 69 ILE N N 69 122.954 118.966 3.988 1
1 825 . 20 1 1 A 70 70 ASP H H 70 8.415 8.335 0.080 1
1 826 . 20 1 1 A 70 70 ASP HA H 70 4.336 4.376 -0.040 1
1 829 . 20 1 1 A 70 70 ASP C C 70 179.786 178.551 1.235 1
1 830 . 20 1 1 A 70 70 ASP CA C 70 58.130 57.000 1.130 1
1 831 . 20 1 1 A 70 70 ASP CB C 70 40.310 40.108 0.202 1
1 832 . 20 1 1 A 70 70 ASP N N 70 121.571 120.414 1.157 1
1 833 . 20 1 1 A 71 71 ALA H H 71 7.869 8.121 -0.252 1
1 834 . 20 1 1 A 71 71 ALA HA H 71 4.215 4.187 0.028 1
1 838 . 20 1 1 A 71 71 ALA C C 71 180.246 179.716 0.530 1
1 839 . 20 1 1 A 71 71 ALA CA C 71 54.500 54.769 -0.269 1
1 840 . 20 1 1 A 71 71 ALA CB C 71 17.680 18.369 -0.689 1
1 841 . 20 1 1 A 71 71 ALA N N 71 121.459 122.742 -1.283 1
1 842 . 20 1 1 A 72 72 ALA H H 72 8.263 7.814 0.449 1
1 843 . 20 1 1 A 72 72 ALA HA H 72 4.045 4.304 -0.259 1
1 847 . 20 1 1 A 72 72 ALA C C 72 179.668 179.921 -0.253 1
1 848 . 20 1 1 A 72 72 ALA CA C 72 55.560 55.138 0.422 1
1 849 . 20 1 1 A 72 72 ALA CB C 72 19.870 18.502 1.368 1
1 850 . 20 1 1 A 72 72 ALA N N 72 123.378 121.001 2.377 1
1 851 . 20 1 1 A 73 73 LEU H H 73 8.790 8.254 0.536 1
1 852 . 20 1 1 A 73 73 LEU HA H 73 3.920 3.871 0.049 1
1 862 . 20 1 1 A 73 73 LEU C C 73 180.286 179.323 0.963 1
1 863 . 20 1 1 A 73 73 LEU CA C 73 58.130 58.055 0.075 1
1 864 . 20 1 1 A 73 73 LEU CB C 73 41.200 40.859 0.341 1
1 868 . 20 1 1 A 73 73 LEU N N 73 119.015 118.603 0.412 1
1 869 . 20 1 1 A 74 74 ALA H H 74 7.931 8.149 -0.218 1
1 870 . 20 1 1 A 74 74 ALA HA H 74 4.273 4.020 0.253 1
1 874 . 20 1 1 A 74 74 ALA C C 74 180.811 179.633 1.178 1
1 875 . 20 1 1 A 74 74 ALA CA C 74 54.960 55.202 -0.242 1
1 876 . 20 1 1 A 74 74 ALA CB C 74 17.690 18.053 -0.363 1
1 877 . 20 1 1 A 74 74 ALA N N 74 124.135 122.225 1.910 1
1 878 . 20 1 1 A 75 75 ARG H H 75 7.898 7.753 0.145 1
1 879 . 20 1 1 A 75 75 ARG HA H 75 4.138 4.070 0.068 1
1 886 . 20 1 1 A 75 75 ARG C C 75 179.721 179.205 0.516 1
1 887 . 20 1 1 A 75 75 ARG CA C 75 60.170 59.056 1.114 1
1 888 . 20 1 1 A 75 75 ARG CB C 75 29.970 29.859 0.111 1
1 891 . 20 1 1 A 75 75 ARG N N 75 120.143 117.705 2.438 1
1 892 . 20 1 1 A 76 76 ILE H H 76 8.061 7.875 0.186 1
1 893 . 20 1 1 A 76 76 ILE HA H 76 3.697 3.793 -0.096 1
1 903 . 20 1 1 A 76 76 ILE C C 76 179.392 177.992 1.400 1
1 904 . 20 1 1 A 76 76 ILE CA C 76 66.060 65.495 0.565 1
1 905 . 20 1 1 A 76 76 ILE CB C 76 37.240 37.501 -0.261 1
1 909 . 20 1 1 A 76 76 ILE N N 76 121.537 121.923 -0.386 1
1 910 . 20 1 1 A 77 77 ALA H H 77 7.735 8.160 -0.425 1
1 911 . 20 1 1 A 77 77 ALA HA H 77 4.132 4.071 0.061 1
1 915 . 20 1 1 A 77 77 ALA C C 77 179.326 180.170 -0.844 1
1 916 . 20 1 1 A 77 77 ALA CA C 77 54.910 55.217 -0.307 1
1 917 . 20 1 1 A 77 77 ALA CB C 77 17.950 18.136 -0.186 1
1 918 . 20 1 1 A 77 77 ALA N N 77 122.664 122.974 -0.310 1
1 919 . 20 1 1 A 78 78 SER H H 78 7.999 7.646 0.353 1
1 920 . 20 1 1 A 78 78 SER HA H 78 4.472 4.525 -0.053 1
1 923 . 20 1 1 A 78 78 SER C C 78 174.675 174.812 -0.137 1
1 924 . 20 1 1 A 78 78 SER CA C 78 59.260 58.380 0.880 1
1 925 . 20 1 1 A 78 78 SER CB C 78 64.070 63.768 0.302 1
1 926 . 20 1 1 A 78 78 SER N N 78 111.061 110.898 0.163 1
1 927 . 20 1 1 A 79 79 GLY H H 79 7.844 7.913 -0.069 1
1 928 . 20 1 1 A 79 79 GLY HA2 H 79 4.233 3.964 0.269 1
1 929 . 20 1 1 A 79 79 GLY HA3 H 79 4.087 3.982 0.105 1
1 930 . 20 1 1 A 79 79 GLY C C 79 175.687 174.048 1.639 1
1 931 . 20 1 1 A 79 79 GLY CA C 79 46.470 45.909 0.561 1
1 932 . 20 1 1 A 79 79 GLY N N 79 109.909 109.246 0.663 1
1 933 . 20 1 1 A 80 80 THR H H 80 8.408 7.945 0.463 1
1 934 . 20 1 1 A 80 80 THR HA H 80 4.504 4.561 -0.057 1
1 939 . 20 1 1 A 80 80 THR C C 80 174.793 174.088 0.705 1
1 940 . 20 1 1 A 80 80 THR CA C 80 60.280 61.329 -1.049 1
1 941 . 20 1 1 A 80 80 THR CB C 80 69.000 69.210 -0.210 1
1 943 . 20 1 1 A 80 80 THR N N 80 109.416 115.831 -6.415 1
1 944 . 20 1 1 A 81 81 PHE H H 81 7.610 7.773 -0.163 1
1 945 . 20 1 1 A 81 81 PHE HA H 81 3.944 4.262 -0.318 1
1 950 . 20 1 1 A 81 81 PHE C C 81 176.462 176.871 -0.409 1
1 951 . 20 1 1 A 81 81 PHE CA C 81 59.940 59.945 -0.005 1
1 952 . 20 1 1 A 81 81 PHE CB C 81 39.700 38.717 0.983 1
1 954 . 20 1 1 A 81 81 PHE N N 81 123.672 123.551 0.121 1
1 955 . 20 1 1 A 82 82 GLY H H 82 8.827 8.147 0.680 1
1 956 . 20 1 1 A 82 82 GLY HA2 H 82 4.000 3.423 0.577 1
1 957 . 20 1 1 A 82 82 GLY HA3 H 82 2.606 3.624 -1.018 1
1 958 . 20 1 1 A 82 82 GLY C C 82 172.388 174.009 -1.621 1
1 959 . 20 1 1 A 82 82 GLY CA C 82 44.590 46.373 -1.783 1
1 960 . 20 1 1 A 82 82 GLY N N 82 115.493 113.820 1.673 1
1 961 . 20 1 1 A 83 83 THR H H 83 7.265 7.530 -0.265 1
1 962 . 20 1 1 A 83 83 THR HA H 83 4.418 4.651 -0.233 1
1 967 . 20 1 1 A 83 83 THR C C 83 173.808 173.151 0.657 1
1 968 . 20 1 1 A 83 83 THR CA C 83 61.180 61.128 0.052 1
1 969 . 20 1 1 A 83 83 THR CB C 83 70.020 70.951 -0.931 1
1 971 . 20 1 1 A 83 83 THR N N 83 115.366 114.125 1.241 1
1 972 . 20 1 1 A 84 84 CYS H H 84 9.410 8.581 0.829 1
1 973 . 20 1 1 A 84 84 CYS HA H 84 4.339 4.435 -0.096 1
1 976 . 20 1 1 A 84 84 CYS C C 84 177.986 175.576 2.410 1
1 977 . 20 1 1 A 84 84 CYS CA C 84 60.080 59.187 0.893 1
1 978 . 20 1 1 A 84 84 CYS CB C 84 30.630 27.695 2.935 1
1 979 . 20 1 1 A 84 84 CYS N N 84 131.144 125.971 5.173 1
1 980 . 20 1 1 A 85 85 VAL H H 85 8.461 7.945 0.516 1
1 981 . 20 1 1 A 85 85 VAL HA H 85 3.918 3.687 0.231 1
1 989 . 20 1 1 A 85 85 VAL C C 85 175.608 177.606 -1.998 1
1 990 . 20 1 1 A 85 85 VAL CA C 85 64.080 65.283 -1.203 1
1 991 . 20 1 1 A 85 85 VAL CB C 85 31.730 31.268 0.462 1
1 994 . 20 1 1 A 85 85 VAL N N 85 126.221 124.930 1.291 1
1 995 . 20 1 1 A 86 86 LYS H H 86 8.924 8.101 0.823 1
1 996 . 20 1 1 A 86 86 LYS HA H 86 4.496 4.170 0.326 1
1 1005 . 20 1 1 A 86 86 LYS C C 86 177.277 177.642 -0.365 1
1 1006 . 20 1 1 A 86 86 LYS CA C 86 58.500 59.003 -0.503 1
1 1007 . 20 1 1 A 86 86 LYS CB C 86 33.780 32.381 1.399 1
1 1011 . 20 1 1 A 86 86 LYS N N 86 123.551 121.979 1.572 1
1 1012 . 20 1 1 A 87 87 CYS H H 87 8.264 7.777 0.487 1
1 1013 . 20 1 1 A 87 87 CYS HA H 87 4.925 4.611 0.314 1
1 1016 . 20 1 1 A 87 87 CYS C C 87 177.211 175.124 2.087 1
1 1017 . 20 1 1 A 87 87 CYS CA C 87 58.980 59.256 -0.276 1
1 1018 . 20 1 1 A 87 87 CYS CB C 87 33.100 29.816 3.284 1
1 1019 . 20 1 1 A 87 87 CYS N N 87 117.502 115.606 1.896 1
1 1020 . 20 1 1 A 88 88 GLY H H 88 7.655 8.039 -0.384 1
1 1021 . 20 1 1 A 88 88 GLY HA2 H 88 4.159 3.930 0.229 1
1 1022 . 20 1 1 A 88 88 GLY HA3 H 88 3.729 3.931 -0.202 1
1 1023 . 20 1 1 A 88 88 GLY C C 88 173.558 173.655 -0.097 1
1 1024 . 20 1 1 A 88 88 GLY CA C 88 46.300 46.201 0.099 1
1 1025 . 20 1 1 A 88 88 GLY N N 88 111.948 110.604 1.344 1
1 1026 . 20 1 1 A 89 89 LYS H H 89 8.721 7.461 1.260 1
1 1027 . 20 1 1 A 89 89 LYS HA H 89 4.315 4.905 -0.590 1
1 1036 . 20 1 1 A 89 89 LYS C C 89 176.659 174.974 1.685 1
1 1037 . 20 1 1 A 89 89 LYS CA C 89 56.860 54.306 2.554 1
1 1038 . 20 1 1 A 89 89 LYS CB C 89 33.540 36.499 -2.959 1
1 1042 . 20 1 1 A 89 89 LYS N N 89 123.614 119.112 4.502 1
1 1043 . 20 1 1 A 90 90 ARG H H 90 8.415 8.463 -0.048 1
1 1044 . 20 1 1 A 90 90 ARG HA H 90 4.299 4.463 -0.164 1
1 1051 . 20 1 1 A 90 90 ARG C C 90 176.041 176.110 -0.069 1
1 1052 . 20 1 1 A 90 90 ARG CA C 90 56.030 56.050 -0.020 1
1 1053 . 20 1 1 A 90 90 ARG CB C 90 29.470 31.221 -1.751 1
1 1056 . 20 1 1 A 90 90 ARG N N 90 121.880 121.479 0.401 1
1 1057 . 20 1 1 A 91 91 ILE H H 91 8.334 8.380 -0.046 1
1 1058 . 20 1 1 A 91 91 ILE HA H 91 3.668 4.509 -0.841 1
1 1068 . 20 1 1 A 91 91 ILE C C 91 175.003 176.236 -1.233 1
1 1069 . 20 1 1 A 91 91 ILE CA C 91 61.810 60.040 1.770 1
1 1070 . 20 1 1 A 91 91 ILE CB C 91 38.920 39.086 -0.166 1
1 1074 . 20 1 1 A 91 91 ILE N N 91 128.410 125.514 2.896 1
1 1075 . 20 1 1 A 92 92 SER H H 92 8.551 8.668 -0.117 1
1 1076 . 20 1 1 A 92 92 SER HA H 92 4.180 4.451 -0.271 1
1 1079 . 20 1 1 A 92 92 SER C C 92 175.108 175.130 -0.022 1
1 1080 . 20 1 1 A 92 92 SER CA C 92 58.460 58.867 -0.407 1
1 1081 . 20 1 1 A 92 92 SER CB C 92 64.180 63.611 0.569 1
1 1082 . 20 1 1 A 92 92 SER N N 92 124.170 120.714 3.456 1
1 1083 . 20 1 1 A 93 93 GLU H H 93 8.912 8.892 0.020 1
1 1084 . 20 1 1 A 93 93 GLU HA H 93 3.939 3.963 -0.024 1
1 1089 . 20 1 1 A 93 93 GLU C C 93 178.144 178.016 0.128 1
1 1090 . 20 1 1 A 93 93 GLU CA C 93 60.080 59.061 1.019 1
1 1091 . 20 1 1 A 93 93 GLU CB C 93 29.960 29.499 0.461 1
1 1093 . 20 1 1 A 93 93 GLU N N 93 123.996 124.833 -0.837 1
1 1094 . 20 1 1 A 94 94 ASP H H 94 8.311 8.307 0.004 1
1 1095 . 20 1 1 A 94 94 ASP HA H 94 4.252 4.465 -0.213 1
1 1098 . 20 1 1 A 94 94 ASP C C 94 178.472 178.447 0.025 1
1 1099 . 20 1 1 A 94 94 ASP CA C 94 57.240 56.305 0.935 1
1 1100 . 20 1 1 A 94 94 ASP CB C 94 40.420 40.241 0.179 1
1 1101 . 20 1 1 A 94 94 ASP N N 94 116.432 120.362 -3.930 1
1 1102 . 20 1 1 A 95 95 ARG H H 95 7.365 7.991 -0.626 1
1 1103 . 20 1 1 A 95 95 ARG HA H 95 4.067 4.103 -0.036 1
1 1110 . 20 1 1 A 95 95 ARG C C 95 177.237 178.751 -1.514 1
1 1111 . 20 1 1 A 95 95 ARG CA C 95 58.870 58.136 0.734 1
1 1112 . 20 1 1 A 95 95 ARG CB C 95 29.100 29.892 -0.792 1
1 1115 . 20 1 1 A 95 95 ARG N N 95 121.517 120.533 0.984 1
1 1116 . 20 1 1 A 96 96 LEU H H 96 7.831 7.941 -0.110 1
1 1117 . 20 1 1 A 96 96 LEU HA H 96 3.735 3.838 -0.103 1
1 1127 . 20 1 1 A 96 96 LEU C C 96 177.855 179.709 -1.854 1
1 1128 . 20 1 1 A 96 96 LEU CA C 96 56.930 57.546 -0.616 1
1 1129 . 20 1 1 A 96 96 LEU CB C 96 41.300 40.965 0.335 1
1 1133 . 20 1 1 A 96 96 LEU N N 96 119.073 119.303 -0.230 1
1 1134 . 20 1 1 A 97 97 LYS H H 97 8.098 8.315 -0.217 1
1 1135 . 20 1 1 A 97 97 LYS HA H 97 4.014 4.361 -0.347 1
1 1144 . 20 1 1 A 97 97 LYS C C 97 178.433 178.648 -0.215 1
1 1145 . 20 1 1 A 97 97 LYS CA C 97 59.080 59.015 0.065 1
1 1146 . 20 1 1 A 97 97 LYS CB C 97 32.830 31.826 1.004 1
1 1150 . 20 1 1 A 97 97 LYS N N 97 114.647 118.326 -3.679 1
1 1151 . 20 1 1 A 98 98 ALA H H 98 7.011 7.407 -0.396 1
1 1152 . 20 1 1 A 98 98 ALA HA H 98 4.196 4.355 -0.159 1
1 1156 . 20 1 1 A 98 98 ALA C C 98 178.814 177.484 1.330 1
1 1157 . 20 1 1 A 98 98 ALA CA C 98 54.480 53.821 0.659 1
1 1158 . 20 1 1 A 98 98 ALA CB C 98 19.380 19.628 -0.248 1
1 1159 . 20 1 1 A 98 98 ALA N N 98 119.536 120.732 -1.196 1
1 1160 . 20 1 1 A 99 99 VAL H H 99 8.133 7.937 0.196 1
1 1161 . 20 1 1 A 99 99 VAL HA H 99 4.098 4.270 -0.172 1
1 1169 . 20 1 1 A 99 99 VAL CA C 99 58.260 58.672 -0.412 1
1 1170 . 20 1 1 A 99 99 VAL CB C 99 32.530 31.710 0.820 1
1 1173 . 20 1 1 A 99 99 VAL N N 99 114.735 116.848 -2.113 1
1 1174 . 20 1 1 A 100 100 PRO HA H 100 4.761 4.389 0.372 1
1 1181 . 20 1 1 A 100 100 PRO C C 100 175.437 177.151 -1.714 1
1 1182 . 20 1 1 A 100 100 PRO CA C 100 65.370 64.095 1.275 1
1 1183 . 20 1 1 A 100 100 PRO CB C 100 31.190 31.858 -0.668 1
1 1186 . 20 1 1 A 101 101 TYR H H 101 6.053 7.550 -1.497 1
1 1187 . 20 1 1 A 101 101 TYR HA H 101 4.463 4.638 -0.175 1
1 1194 . 20 1 1 A 101 101 TYR C C 101 175.871 176.135 -0.264 1
1 1195 . 20 1 1 A 101 101 TYR CA C 101 53.920 57.423 -3.503 1
1 1196 . 20 1 1 A 101 101 TYR CB C 101 38.230 38.806 -0.576 1
1 1199 . 20 1 1 A 101 101 TYR N N 101 108.211 115.009 -6.798 1
1 1200 . 20 1 1 A 102 102 THR H H 102 7.466 6.854 0.612 1
1 1201 . 20 1 1 A 102 102 THR HA H 102 4.384 4.436 -0.052 1
1 1206 . 20 1 1 A 102 102 THR CA C 102 60.030 59.934 0.096 1
1 1207 . 20 1 1 A 102 102 THR CB C 102 69.600 69.881 -0.281 1
1 1209 . 20 1 1 A 102 102 THR N N 102 120.556 115.596 4.960 1
1 1210 . 20 1 1 A 103 103 PRO HA H 103 4.244 4.198 0.046 1
1 1217 . 20 1 1 A 103 103 PRO C C 103 176.344 176.012 0.332 1
1 1218 . 20 1 1 A 103 103 PRO CA C 103 62.400 65.051 -2.651 1
1 1219 . 20 1 1 A 103 103 PRO CB C 103 32.250 31.557 0.693 1
1 1222 . 20 1 1 A 104 104 PHE H H 104 7.365 7.453 -0.088 1
1 1223 . 20 1 1 A 104 104 PHE HA H 104 6.207 4.779 1.428 1
1 1230 . 20 1 1 A 104 104 PHE C C 104 176.133 175.326 0.807 1
1 1231 . 20 1 1 A 104 104 PHE CA C 104 55.220 57.489 -2.269 1
1 1232 . 20 1 1 A 104 104 PHE CB C 104 44.480 41.315 3.165 1
1 1235 . 20 1 1 A 104 104 PHE N N 104 115.933 117.554 -1.621 1
1 1236 . 20 1 1 A 105 105 CYS H H 105 9.248 8.604 0.644 1
1 1237 . 20 1 1 A 105 105 CYS HA H 105 4.638 4.844 -0.206 1
1 1240 . 20 1 1 A 105 105 CYS C C 105 174.254 175.228 -0.974 1
1 1241 . 20 1 1 A 105 105 CYS CA C 105 58.060 56.651 1.409 1
1 1242 . 20 1 1 A 105 105 CYS CB C 105 31.250 29.167 2.083 1
1 1243 . 20 1 1 A 105 105 CYS N N 105 118.999 118.355 0.644 1
1 1244 . 20 1 1 A 106 106 GLN H H 106 8.865 8.918 -0.053 1
1 1245 . 20 1 1 A 106 106 GLN HA H 106 3.611 3.895 -0.284 1
1 1252 . 20 1 1 A 106 106 GLN C C 106 177.250 177.713 -0.463 1
1 1253 . 20 1 1 A 106 106 GLN CA C 106 59.430 59.239 0.191 1
1 1254 . 20 1 1 A 106 106 GLN CB C 106 28.750 28.796 -0.046 1
1 1256 . 20 1 1 A 106 106 GLN N N 106 119.606 121.560 -1.954 1
1 1258 . 20 1 1 A 107 107 GLU H H 107 8.134 8.570 -0.436 1
1 1259 . 20 1 1 A 107 107 GLU HA H 107 3.959 4.072 -0.113 1
1 1264 . 20 1 1 A 107 107 GLU C C 107 179.616 178.322 1.294 1
1 1265 . 20 1 1 A 107 107 GLU CA C 107 60.110 59.454 0.656 1
1 1266 . 20 1 1 A 107 107 GLU CB C 107 29.990 29.038 0.952 1
1 1268 . 20 1 1 A 107 107 GLU N N 107 119.554 117.183 2.371 1
1 1269 . 20 1 1 A 108 108 CYS H H 108 8.681 7.740 0.941 1
1 1270 . 20 1 1 A 108 108 CYS HA H 108 3.783 4.383 -0.600 1
1 1273 . 20 1 1 A 108 108 CYS C C 108 177.868 176.125 1.743 1
1 1274 . 20 1 1 A 108 108 CYS CA C 108 64.110 62.393 1.717 1
1 1275 . 20 1 1 A 108 108 CYS CB C 108 29.270 27.487 1.783 1
1 1276 . 20 1 1 A 108 108 CYS N N 108 123.406 117.746 5.660 1
1 1277 . 20 1 1 A 109 109 ALA H H 109 8.094 7.758 0.336 1
1 1278 . 20 1 1 A 109 109 ALA HA H 109 3.693 4.062 -0.369 1
1 1282 . 20 1 1 A 109 109 ALA C C 109 178.591 179.574 -0.983 1
1 1283 . 20 1 1 A 109 109 ALA CA C 109 53.710 54.264 -0.554 1
1 1284 . 20 1 1 A 109 109 ALA CB C 109 18.430 18.441 -0.011 1
1 1285 . 20 1 1 A 109 109 ALA N N 109 120.579 122.594 -2.015 1
1 1286 . 20 1 1 A 110 110 ALA H H 110 7.402 7.546 -0.144 1
1 1287 . 20 1 1 A 110 110 ALA HA H 110 4.111 4.191 -0.080 1
1 1291 . 20 1 1 A 110 110 ALA C C 110 177.408 177.553 -0.145 1
1 1292 . 20 1 1 A 110 110 ALA CA C 110 53.000 53.303 -0.303 1
1 1293 . 20 1 1 A 110 110 ALA CB C 110 18.710 19.174 -0.464 1
1 1294 . 20 1 1 A 110 110 ALA N N 110 118.992 118.440 0.552 1
1 1295 . 20 1 1 A 111 111 ALA H H 111 7.247 7.671 -0.424 1
1 1296 . 20 1 1 A 111 111 ALA HA H 111 4.300 4.512 -0.212 1
1 1300 . 20 1 1 A 111 111 ALA C C 111 176.488 176.619 -0.131 1
1 1301 . 20 1 1 A 111 111 ALA CA C 111 51.840 50.483 1.357 1
1 1302 . 20 1 1 A 111 111 ALA CB C 111 19.210 18.956 0.254 1
1 1303 . 20 1 1 A 111 111 ALA N N 111 120.857 120.278 0.579 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 101 1.012 1
2 1 1 1 "RMS(OBS, PRED)" CA 108 1.238 1
3 1 1 1 "RMS(OBS, PRED)" CB 103 1.124 1
4 1 1 1 "RMS(OBS, PRED)" H 101 0.472 1
5 1 1 1 "RMS(OBS, PRED)" HA 113 0.277 1
6 1 1 1 "RMS(OBS, PRED)" N 101 2.985 1
7 1 2 1 "RMS(OBS, PRED)" C 101 1.138 1
8 1 2 1 "RMS(OBS, PRED)" CA 108 1.232 1
9 1 2 1 "RMS(OBS, PRED)" CB 103 1.242 1
10 1 2 1 "RMS(OBS, PRED)" H 101 0.477 1
11 1 2 1 "RMS(OBS, PRED)" HA 113 0.303 1
12 1 2 1 "RMS(OBS, PRED)" N 101 2.882 1
13 1 3 1 "RMS(OBS, PRED)" C 101 1.036 1
14 1 3 1 "RMS(OBS, PRED)" CA 108 1.269 1
15 1 3 1 "RMS(OBS, PRED)" CB 103 1.170 1
16 1 3 1 "RMS(OBS, PRED)" H 101 0.495 1
17 1 3 1 "RMS(OBS, PRED)" HA 113 0.303 1
18 1 3 1 "RMS(OBS, PRED)" N 101 2.652 1
19 1 4 1 "RMS(OBS, PRED)" C 101 1.026 1
20 1 4 1 "RMS(OBS, PRED)" CA 108 1.235 1
21 1 4 1 "RMS(OBS, PRED)" CB 103 1.115 1
22 1 4 1 "RMS(OBS, PRED)" H 101 0.443 1
23 1 4 1 "RMS(OBS, PRED)" HA 113 0.300 1
24 1 4 1 "RMS(OBS, PRED)" N 101 2.933 1
25 1 5 1 "RMS(OBS, PRED)" C 101 1.048 1
26 1 5 1 "RMS(OBS, PRED)" CA 108 1.244 1
27 1 5 1 "RMS(OBS, PRED)" CB 103 1.070 1
28 1 5 1 "RMS(OBS, PRED)" H 101 0.483 1
29 1 5 1 "RMS(OBS, PRED)" HA 113 0.289 1
30 1 5 1 "RMS(OBS, PRED)" N 101 2.972 1
31 1 6 1 "RMS(OBS, PRED)" C 101 1.008 1
32 1 6 1 "RMS(OBS, PRED)" CA 108 1.282 1
33 1 6 1 "RMS(OBS, PRED)" CB 103 1.149 1
34 1 6 1 "RMS(OBS, PRED)" H 101 0.485 1
35 1 6 1 "RMS(OBS, PRED)" HA 113 0.280 1
36 1 6 1 "RMS(OBS, PRED)" N 101 2.799 1
37 1 7 1 "RMS(OBS, PRED)" C 101 0.989 1
38 1 7 1 "RMS(OBS, PRED)" CA 108 1.207 1
39 1 7 1 "RMS(OBS, PRED)" CB 103 1.164 1
40 1 7 1 "RMS(OBS, PRED)" H 101 0.467 1
41 1 7 1 "RMS(OBS, PRED)" HA 113 0.290 1
42 1 7 1 "RMS(OBS, PRED)" N 101 2.760 1
43 1 8 1 "RMS(OBS, PRED)" C 101 1.117 1
44 1 8 1 "RMS(OBS, PRED)" CA 108 1.407 1
45 1 8 1 "RMS(OBS, PRED)" CB 103 1.172 1
46 1 8 1 "RMS(OBS, PRED)" H 101 0.498 1
47 1 8 1 "RMS(OBS, PRED)" HA 113 0.306 1
48 1 8 1 "RMS(OBS, PRED)" N 101 2.880 1
49 1 9 1 "RMS(OBS, PRED)" C 101 1.000 1
50 1 9 1 "RMS(OBS, PRED)" CA 108 1.186 1
51 1 9 1 "RMS(OBS, PRED)" CB 103 1.189 1
52 1 9 1 "RMS(OBS, PRED)" H 101 0.448 1
53 1 9 1 "RMS(OBS, PRED)" HA 113 0.272 1
54 1 9 1 "RMS(OBS, PRED)" N 101 2.677 1
55 1 10 1 "RMS(OBS, PRED)" C 101 0.987 1
56 1 10 1 "RMS(OBS, PRED)" CA 108 1.141 1
57 1 10 1 "RMS(OBS, PRED)" CB 103 1.035 1
58 1 10 1 "RMS(OBS, PRED)" H 101 0.510 1
59 1 10 1 "RMS(OBS, PRED)" HA 113 0.290 1
60 1 10 1 "RMS(OBS, PRED)" N 101 2.931 1
61 1 11 1 "RMS(OBS, PRED)" C 101 0.987 1
62 1 11 1 "RMS(OBS, PRED)" CA 108 1.342 1
63 1 11 1 "RMS(OBS, PRED)" CB 103 1.116 1
64 1 11 1 "RMS(OBS, PRED)" H 101 0.468 1
65 1 11 1 "RMS(OBS, PRED)" HA 113 0.312 1
66 1 11 1 "RMS(OBS, PRED)" N 101 2.920 1
67 1 12 1 "RMS(OBS, PRED)" C 101 1.016 1
68 1 12 1 "RMS(OBS, PRED)" CA 108 1.138 1
69 1 12 1 "RMS(OBS, PRED)" CB 103 1.116 1
70 1 12 1 "RMS(OBS, PRED)" H 101 0.495 1
71 1 12 1 "RMS(OBS, PRED)" HA 113 0.309 1
72 1 12 1 "RMS(OBS, PRED)" N 101 2.741 1
73 1 13 1 "RMS(OBS, PRED)" C 101 1.121 1
74 1 13 1 "RMS(OBS, PRED)" CA 108 1.144 1
75 1 13 1 "RMS(OBS, PRED)" CB 103 1.183 1
76 1 13 1 "RMS(OBS, PRED)" H 101 0.460 1
77 1 13 1 "RMS(OBS, PRED)" HA 113 0.296 1
78 1 13 1 "RMS(OBS, PRED)" N 101 2.843 1
79 1 14 1 "RMS(OBS, PRED)" C 101 1.001 1
80 1 14 1 "RMS(OBS, PRED)" CA 108 1.203 1
81 1 14 1 "RMS(OBS, PRED)" CB 103 1.143 1
82 1 14 1 "RMS(OBS, PRED)" H 101 0.461 1
83 1 14 1 "RMS(OBS, PRED)" HA 113 0.291 1
84 1 14 1 "RMS(OBS, PRED)" N 101 3.090 1
85 1 15 1 "RMS(OBS, PRED)" C 101 1.007 1
86 1 15 1 "RMS(OBS, PRED)" CA 108 1.270 1
87 1 15 1 "RMS(OBS, PRED)" CB 103 0.992 1
88 1 15 1 "RMS(OBS, PRED)" H 101 0.495 1
89 1 15 1 "RMS(OBS, PRED)" HA 113 0.283 1
90 1 15 1 "RMS(OBS, PRED)" N 101 2.829 1
91 1 16 1 "RMS(OBS, PRED)" C 101 1.049 1
92 1 16 1 "RMS(OBS, PRED)" CA 108 1.237 1
93 1 16 1 "RMS(OBS, PRED)" CB 103 1.012 1
94 1 16 1 "RMS(OBS, PRED)" H 101 0.494 1
95 1 16 1 "RMS(OBS, PRED)" HA 113 0.277 1
96 1 16 1 "RMS(OBS, PRED)" N 101 2.621 1
97 1 17 1 "RMS(OBS, PRED)" C 101 1.052 1
98 1 17 1 "RMS(OBS, PRED)" CA 108 1.263 1
99 1 17 1 "RMS(OBS, PRED)" CB 103 1.134 1
100 1 17 1 "RMS(OBS, PRED)" H 101 0.452 1
101 1 17 1 "RMS(OBS, PRED)" HA 113 0.361 1
102 1 17 1 "RMS(OBS, PRED)" N 101 2.742 1
103 1 18 1 "RMS(OBS, PRED)" C 101 0.983 1
104 1 18 1 "RMS(OBS, PRED)" CA 108 1.161 1
105 1 18 1 "RMS(OBS, PRED)" CB 103 1.053 1
106 1 18 1 "RMS(OBS, PRED)" H 101 0.471 1
107 1 18 1 "RMS(OBS, PRED)" HA 113 0.260 1
108 1 18 1 "RMS(OBS, PRED)" N 101 2.848 1
109 1 19 1 "RMS(OBS, PRED)" C 101 1.061 1
110 1 19 1 "RMS(OBS, PRED)" CA 108 1.235 1
111 1 19 1 "RMS(OBS, PRED)" CB 103 1.102 1
112 1 19 1 "RMS(OBS, PRED)" H 101 0.460 1
113 1 19 1 "RMS(OBS, PRED)" HA 113 0.297 1
114 1 19 1 "RMS(OBS, PRED)" N 101 2.658 1
115 1 20 1 "RMS(OBS, PRED)" C 101 1.001 1
116 1 20 1 "RMS(OBS, PRED)" CA 108 1.338 1
117 1 20 1 "RMS(OBS, PRED)" CB 103 1.091 1
118 1 20 1 "RMS(OBS, PRED)" H 101 0.481 1
119 1 20 1 "RMS(OBS, PRED)" HA 113 0.321 1
120 1 20 1 "RMS(OBS, PRED)" N 101 2.595 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 19 . 1 1 A 2 2 ALA H H 2 8.460 8.552 -0.092 2
1 20 . 1 1 A 2 2 ALA HA H 2 4.304 4.393 -0.089 2
1 24 . 1 1 A 2 2 ALA C C 2 178.183 177.114 1.069 2
1 25 . 1 1 A 2 2 ALA CA C 2 52.760 52.816 -0.056 2
1 26 . 1 1 A 2 2 ALA CB C 2 19.150 19.418 -0.268 2
1 27 . 1 1 A 2 2 ALA N N 2 125.375 124.931 0.444 2
1 28 . 1 1 A 3 3 GLY H H 3 8.343 8.420 -0.077 2
1 29 . 1 1 A 3 3 GLY N N 3 108.577 108.370 0.207 2
1 30 . 1 1 A 5 5 LYS HA H 5 4.355 4.397 -0.042 2
1 39 . 1 1 A 5 5 LYS CA C 5 56.170 56.951 -0.781 2
1 40 . 1 1 A 5 5 LYS CB C 5 33.170 33.116 0.054 2
1 44 . 1 1 A 6 6 SER HA H 6 4.429 4.483 -0.054 2
1 47 . 1 1 A 6 6 SER CA C 6 58.390 59.200 -0.810 2
1 48 . 1 1 A 6 6 SER CB C 6 64.040 63.588 0.452 2
1 49 . 1 1 A 7 7 MET HA H 7 4.435 4.517 -0.082 2
1 57 . 1 1 A 7 7 MET CA C 7 55.610 56.142 -0.532 2
1 58 . 1 1 A 7 7 MET CB C 7 33.550 33.247 0.303 2
1 61 . 1 1 A 8 8 ASN HA H 8 4.837 4.598 0.239 2
1 66 . 1 1 A 8 8 ASN C C 8 175.910 175.167 0.744 2
1 67 . 1 1 A 8 8 ASN CA C 8 52.310 53.325 -1.014 2
1 68 . 1 1 A 8 8 ASN CB C 8 38.190 36.800 1.390 2
1 70 . 1 1 A 9 9 VAL H H 9 8.400 8.007 0.393 2
1 71 . 1 1 A 9 9 VAL HA H 9 3.908 3.872 0.036 2
1 79 . 1 1 A 9 9 VAL C C 9 176.738 177.686 -0.948 2
1 80 . 1 1 A 9 9 VAL CA C 9 65.550 66.772 -1.222 2
1 81 . 1 1 A 9 9 VAL CB C 9 31.970 31.566 0.404 2
1 84 . 1 1 A 9 9 VAL N N 9 121.216 121.811 -0.595 2
1 85 . 1 1 A 10 10 GLU H H 10 8.596 8.233 0.363 2
1 86 . 1 1 A 10 10 GLU HA H 10 4.077 3.931 0.146 2
1 91 . 1 1 A 10 10 GLU C C 10 178.985 179.009 -0.024 2
1 92 . 1 1 A 10 10 GLU CA C 10 59.390 59.642 -0.251 2
1 93 . 1 1 A 10 10 GLU CB C 10 29.000 29.276 -0.276 2
1 95 . 1 1 A 10 10 GLU N N 10 121.274 120.575 0.699 2
1 96 . 1 1 A 11 11 SER H H 11 7.841 7.923 -0.082 2
1 97 . 1 1 A 11 11 SER HA H 11 4.138 4.089 0.049 2
1 100 . 1 1 A 11 11 SER C C 11 176.817 176.288 0.529 2
1 101 . 1 1 A 11 11 SER CA C 11 60.790 62.169 -1.379 2
1 102 . 1 1 A 11 11 SER CB C 11 62.470 63.030 -0.560 2
1 103 . 1 1 A 11 11 SER N N 11 115.238 116.695 -1.457 2
1 104 . 1 1 A 12 12 TYR H H 12 7.284 7.449 -0.165 2
1 105 . 1 1 A 12 12 TYR HA H 12 4.104 4.326 -0.222 2
1 112 . 1 1 A 12 12 TYR C C 12 177.132 178.073 -0.941 2
1 113 . 1 1 A 12 12 TYR CA C 12 62.060 61.411 0.649 2
1 114 . 1 1 A 12 12 TYR CB C 12 38.710 37.825 0.885 2
1 117 . 1 1 A 12 12 TYR N N 12 120.370 119.876 0.494 2
1 118 . 1 1 A 13 13 GLU H H 13 8.490 8.377 0.113 2
1 119 . 1 1 A 13 13 GLU HA H 13 3.432 3.873 -0.441 2
1 124 . 1 1 A 13 13 GLU C C 13 177.303 178.650 -1.347 2
1 125 . 1 1 A 13 13 GLU CA C 13 60.660 59.584 1.076 2
1 126 . 1 1 A 13 13 GLU CB C 13 29.200 28.800 0.400 2
1 128 . 1 1 A 13 13 GLU N N 13 120.162 120.686 -0.523 2
1 129 . 1 1 A 14 14 LYS H H 14 7.454 7.808 -0.354 2
1 130 . 1 1 A 14 14 LYS HA H 14 3.900 4.068 -0.168 2
1 139 . 1 1 A 14 14 LYS C C 14 178.249 178.728 -0.479 2
1 140 . 1 1 A 14 14 LYS CA C 14 59.620 59.018 0.602 2
1 141 . 1 1 A 14 14 LYS CB C 14 32.420 32.115 0.305 2
1 145 . 1 1 A 14 14 LYS N N 14 117.838 118.364 -0.526 2
1 146 . 1 1 A 15 15 ILE H H 15 7.409 7.622 -0.213 2
1 147 . 1 1 A 15 15 ILE HA H 15 3.822 3.989 -0.167 2
1 157 . 1 1 A 15 15 ILE C C 15 179.668 177.940 1.728 2
1 158 . 1 1 A 15 15 ILE CA C 15 65.030 63.163 1.867 2
1 159 . 1 1 A 15 15 ILE CB C 15 38.950 37.716 1.234 2
1 163 . 1 1 A 15 15 ILE N N 15 118.597 120.546 -1.949 2
1 164 . 1 1 A 16 16 LEU H H 16 8.407 8.128 0.279 2
1 165 . 1 1 A 16 16 LEU HA H 16 3.992 3.989 0.003 2
1 175 . 1 1 A 16 16 LEU C C 16 178.512 179.115 -0.603 2
1 176 . 1 1 A 16 16 LEU CA C 16 58.230 58.035 0.195 2
1 177 . 1 1 A 16 16 LEU CB C 16 42.130 41.244 0.886 2
1 181 . 1 1 A 16 16 LEU N N 16 120.642 121.149 -0.507 2
1 182 . 1 1 A 17 17 ARG H H 17 8.789 8.041 0.748 2
1 183 . 1 1 A 17 17 ARG HA H 17 3.917 4.125 -0.208 2
1 190 . 1 1 A 17 17 ARG C C 17 179.602 178.847 0.755 2
1 191 . 1 1 A 17 17 ARG CA C 17 60.080 59.315 0.765 2
1 192 . 1 1 A 17 17 ARG CB C 17 29.620 29.923 -0.303 2
1 195 . 1 1 A 17 17 ARG N N 17 119.196 119.137 0.059 2
1 196 . 1 1 A 18 18 ASP H H 18 8.638 8.213 0.425 2
1 197 . 1 1 A 18 18 ASP HA H 18 4.418 4.411 0.007 2
1 200 . 1 1 A 18 18 ASP C C 18 179.116 179.012 0.104 2
1 201 . 1 1 A 18 18 ASP CA C 18 57.330 57.061 0.269 2
1 202 . 1 1 A 18 18 ASP CB C 18 39.700 40.296 -0.596 2
1 203 . 1 1 A 18 18 ASP N N 18 121.383 119.707 1.676 2
1 204 . 1 1 A 19 19 ARG H H 19 7.947 7.940 0.007 2
1 205 . 1 1 A 19 19 ARG HA H 19 4.180 4.096 0.084 2
1 212 . 1 1 A 19 19 ARG C C 19 177.855 178.909 -1.054 2
1 213 . 1 1 A 19 19 ARG CA C 19 57.680 59.423 -1.743 2
1 214 . 1 1 A 19 19 ARG CB C 19 29.540 29.847 -0.307 2
1 217 . 1 1 A 19 19 ARG N N 19 121.506 119.922 1.584 2
1 218 . 1 1 A 20 20 GLN H H 20 8.691 8.219 0.472 2
1 219 . 1 1 A 20 20 GLN HA H 20 3.589 3.979 -0.390 2
1 226 . 1 1 A 20 20 GLN C C 20 176.896 178.127 -1.231 2
1 227 . 1 1 A 20 20 GLN CA C 20 59.620 58.657 0.963 2
1 228 . 1 1 A 20 20 GLN CB C 20 30.020 27.934 2.086 2
1 230 . 1 1 A 20 20 GLN N N 20 120.162 118.033 2.129 2
1 232 . 1 1 A 21 21 ARG H H 21 7.959 7.807 0.152 2
1 233 . 1 1 A 21 21 ARG HA H 21 3.973 4.251 -0.278 2
1 240 . 1 1 A 21 21 ARG C C 21 178.985 179.055 -0.070 2
1 241 . 1 1 A 21 21 ARG CA C 21 59.800 59.403 0.397 2
1 242 . 1 1 A 21 21 ARG CB C 21 29.980 30.149 -0.169 2
1 245 . 1 1 A 21 21 ARG N N 21 117.219 119.341 -2.122 2
1 246 . 1 1 A 22 22 GLU H H 22 7.700 8.087 -0.387 2
1 247 . 1 1 A 22 22 GLU HA H 22 4.076 4.127 -0.051 2
1 252 . 1 1 A 22 22 GLU C C 22 179.090 178.828 0.262 2
1 253 . 1 1 A 22 22 GLU CA C 22 58.950 59.158 -0.208 2
1 254 . 1 1 A 22 22 GLU CB C 22 29.580 28.924 0.656 2
1 256 . 1 1 A 22 22 GLU N N 22 119.703 118.396 1.307 2
1 257 . 1 1 A 23 23 LEU H H 23 8.264 7.861 0.403 2
1 258 . 1 1 A 23 23 LEU HA H 23 3.979 4.036 -0.057 2
1 268 . 1 1 A 23 23 LEU C C 23 179.234 178.765 0.469 2
1 269 . 1 1 A 23 23 LEU CA C 23 57.990 57.735 0.255 2
1 270 . 1 1 A 23 23 LEU CB C 23 42.370 41.996 0.373 2
1 274 . 1 1 A 23 23 LEU N N 23 119.988 121.569 -1.581 2
1 275 . 1 1 A 24 24 TYR H H 24 8.688 8.356 0.332 2
1 276 . 1 1 A 24 24 TYR HA H 24 4.084 4.285 -0.201 2
1 283 . 1 1 A 24 24 TYR C C 24 178.630 178.898 -0.268 2
1 284 . 1 1 A 24 24 TYR CA C 24 61.670 61.253 0.417 2
1 285 . 1 1 A 24 24 TYR CB C 24 37.780 38.084 -0.304 2
1 288 . 1 1 A 24 24 TYR N N 24 119.101 118.604 0.497 2
1 289 . 1 1 A 25 25 ARG H H 25 7.945 8.152 -0.207 2
1 290 . 1 1 A 25 25 ARG HA H 25 4.043 4.164 -0.121 2
1 297 . 1 1 A 25 25 ARG C C 25 178.683 178.630 0.053 2
1 298 . 1 1 A 25 25 ARG CA C 25 59.460 58.936 0.524 2
1 299 . 1 1 A 25 25 ARG CB C 25 30.160 29.956 0.204 2
1 302 . 1 1 A 25 25 ARG N N 25 118.297 118.496 -0.199 2
1 303 . 1 1 A 26 26 ARG H H 26 7.726 7.663 0.063 2
1 304 . 1 1 A 26 26 ARG HA H 26 4.067 4.147 -0.080 2
1 311 . 1 1 A 26 26 ARG C C 26 177.986 178.658 -0.672 2
1 312 . 1 1 A 26 26 ARG CA C 26 58.300 58.954 -0.654 2
1 313 . 1 1 A 26 26 ARG CB C 26 30.670 29.975 0.695 2
1 316 . 1 1 A 26 26 ARG N N 26 118.100 119.822 -1.722 2
1 317 . 1 1 A 27 27 LEU H H 27 7.971 7.924 0.047 2
1 318 . 1 1 A 27 27 LEU HA H 27 4.095 4.175 -0.080 2
1 328 . 1 1 A 27 27 LEU C C 27 177.461 177.632 -0.171 2
1 329 . 1 1 A 27 27 LEU CA C 27 56.260 56.785 -0.525 2
1 330 . 1 1 A 27 27 LEU CB C 27 42.260 41.728 0.532 2
1 334 . 1 1 A 27 27 LEU N N 27 118.633 116.717 1.916 2
1 335 . 1 1 A 28 28 HIS H H 28 7.863 7.860 0.003 2
1 336 . 1 1 A 28 28 HIS HA H 28 4.482 4.841 -0.359 2
1 341 . 1 1 A 28 28 HIS C C 28 174.741 176.114 -1.373 2
1 342 . 1 1 A 28 28 HIS CA C 28 56.310 55.758 0.552 2
1 343 . 1 1 A 28 28 HIS CB C 28 29.300 29.238 0.062 2
1 346 . 1 1 A 28 28 HIS N N 28 116.767 117.425 -0.658 2
1 347 . 1 1 A 29 29 LYS H H 29 7.893 8.264 -0.371 2
1 348 . 1 1 A 29 29 LYS HA H 29 4.172 4.041 0.131 2
1 357 . 1 1 A 29 29 LYS C C 29 176.357 178.077 -1.720 2
1 358 . 1 1 A 29 29 LYS CA C 29 56.830 58.818 -1.988 2
1 359 . 1 1 A 29 29 LYS CB C 29 32.000 31.790 0.210 2
1 363 . 1 1 A 29 29 LYS N N 29 120.331 118.670 1.661 2
1 364 . 1 1 A 30 30 ILE H H 30 7.995 7.641 0.354 2
1 365 . 1 1 A 30 30 ILE HA H 30 4.085 3.870 0.215 2
1 375 . 1 1 A 30 30 ILE C C 30 176.344 177.481 -1.137 2
1 376 . 1 1 A 30 30 ILE CA C 30 61.440 64.247 -2.807 2
1 377 . 1 1 A 30 30 ILE CB C 30 39.020 37.473 1.547 2
1 381 . 1 1 A 30 30 ILE N N 30 120.440 117.005 3.435 2
1 382 . 1 1 A 31 31 GLU H H 31 8.367 8.009 0.358 2
1 383 . 1 1 A 31 31 GLU HA H 31 4.159 4.433 -0.274 2
1 388 . 1 1 A 31 31 GLU C C 31 176.265 176.423 -0.158 2
1 389 . 1 1 A 31 31 GLU CA C 31 56.890 57.123 -0.233 2
1 390 . 1 1 A 31 31 GLU CB C 31 30.050 30.567 -0.516 2
1 392 . 1 1 A 31 31 GLU N N 31 124.043 119.583 4.460 2
1 393 . 1 1 A 32 32 ALA H H 32 8.138 7.701 0.437 2
1 394 . 1 1 A 32 32 ALA HA H 32 4.175 4.470 -0.295 2
1 398 . 1 1 A 32 32 ALA C C 32 177.198 176.599 0.599 2
1 399 . 1 1 A 32 32 ALA CA C 32 52.620 51.282 1.338 2
1 400 . 1 1 A 32 32 ALA CB C 32 19.490 19.320 0.170 2
1 401 . 1 1 A 32 32 ALA N N 32 124.170 122.914 1.256 2
1 402 . 1 1 A 33 33 ASP H H 33 8.157 8.716 -0.559 2
1 403 . 1 1 A 33 33 ASP HA H 33 4.467 4.694 -0.227 2
1 406 . 1 1 A 33 33 ASP C C 33 175.910 175.813 0.097 2
1 407 . 1 1 A 33 33 ASP CA C 33 54.500 54.519 -0.019 2
1 408 . 1 1 A 33 33 ASP CB C 33 40.750 41.089 -0.339 2
1 409 . 1 1 A 33 33 ASP N N 33 118.904 123.710 -4.806 2
1 410 . 1 1 A 34 34 PHE H H 34 7.884 8.222 -0.338 2
1 411 . 1 1 A 34 34 PHE HA H 34 4.514 4.609 -0.095 2
1 418 . 1 1 A 34 34 PHE C C 34 175.319 175.861 -0.542 2
1 419 . 1 1 A 34 34 PHE CA C 34 57.610 57.469 0.141 2
1 420 . 1 1 A 34 34 PHE CB C 34 39.840 38.312 1.528 2
1 423 . 1 1 A 34 34 PHE N N 34 119.439 120.664 -1.225 2
1 424 . 1 1 A 35 35 GLU H H 35 8.084 8.480 -0.396 2
1 425 . 1 1 A 35 35 GLU HA H 35 4.190 4.263 -0.073 2
1 430 . 1 1 A 35 35 GLU C C 35 175.634 176.505 -0.871 2
1 431 . 1 1 A 35 35 GLU CA C 35 56.140 58.095 -1.955 2
1 432 . 1 1 A 35 35 GLU CB C 35 30.810 30.343 0.467 2
1 434 . 1 1 A 35 35 GLU N N 35 122.340 123.611 -1.271 2
1 435 . 1 1 A 36 36 GLU H H 36 8.172 7.848 0.324 2
1 436 . 1 1 A 36 36 GLU HA H 36 4.442 4.348 0.094 2
1 441 . 1 1 A 36 36 GLU CA C 36 54.300 55.747 -1.447 2
1 442 . 1 1 A 36 36 GLU CB C 36 29.490 29.344 0.146 2
1 444 . 1 1 A 36 36 GLU N N 36 123.278 118.537 4.741 2
1 445 . 1 1 A 37 37 PRO HA H 37 4.339 4.495 -0.156 2
1 452 . 1 1 A 37 37 PRO C C 37 175.818 176.892 -1.074 2
1 453 . 1 1 A 37 37 PRO CA C 37 62.800 63.352 -0.552 2
1 454 . 1 1 A 37 37 PRO CB C 37 31.900 31.559 0.341 2
1 457 . 1 1 A 38 38 ARG H H 38 8.412 8.484 -0.072 2
1 458 . 1 1 A 38 38 ARG HA H 38 4.255 4.308 -0.053 2
1 465 . 1 1 A 38 38 ARG C C 38 175.818 175.932 -0.114 2
1 466 . 1 1 A 38 38 ARG CA C 38 55.350 56.728 -1.379 2
1 467 . 1 1 A 38 38 ARG CB C 38 31.010 30.713 0.297 2
1 470 . 1 1 A 38 38 ARG N N 38 121.791 120.440 1.351 2
1 471 . 1 1 A 39 39 ASN H H 39 8.624 8.137 0.487 2
1 472 . 1 1 A 39 39 ASN HA H 39 4.906 5.027 -0.121 2
1 477 . 1 1 A 39 39 ASN CA C 39 51.100 51.389 -0.289 2
1 478 . 1 1 A 39 39 ASN CB C 39 38.560 38.959 -0.399 2
1 479 . 1 1 A 39 39 ASN N N 39 121.594 118.584 3.010 2
1 481 . 1 1 A 40 40 PRO HA H 40 4.310 4.513 -0.203 2
1 488 . 1 1 A 40 40 PRO C C 40 176.896 176.244 0.652 2
1 489 . 1 1 A 40 40 PRO CA C 40 63.970 63.813 0.157 2
1 490 . 1 1 A 40 40 PRO CB C 40 32.210 31.426 0.784 2
1 493 . 1 1 A 41 41 ASP H H 41 8.219 8.275 -0.056 2
1 494 . 1 1 A 41 41 ASP HA H 41 4.516 4.749 -0.233 2
1 497 . 1 1 A 41 41 ASP C C 41 176.252 175.396 0.856 2
1 498 . 1 1 A 41 41 ASP CA C 41 54.740 54.167 0.573 2
1 499 . 1 1 A 41 41 ASP CB C 41 41.100 41.582 -0.482 2
1 500 . 1 1 A 41 41 ASP N N 41 118.818 120.450 -1.632 2
1 501 . 1 1 A 42 42 ASP H H 42 7.949 8.419 -0.470 2
1 502 . 1 1 A 42 42 ASP HA H 42 4.516 4.652 -0.136 2
1 505 . 1 1 A 42 42 ASP C C 42 176.567 176.371 0.196 2
1 506 . 1 1 A 42 42 ASP CA C 42 54.910 54.491 0.419 2
1 507 . 1 1 A 42 42 ASP CB C 42 41.100 40.911 0.189 2
1 508 . 1 1 A 42 42 ASP N N 42 120.104 122.083 -1.979 2
1 509 . 1 1 A 43 43 GLU H H 43 8.179 8.380 -0.201 2
1 510 . 1 1 A 43 43 GLU HA H 43 4.153 4.213 -0.060 2
1 515 . 1 1 A 43 43 GLU C C 43 176.488 176.034 0.454 2
1 516 . 1 1 A 43 43 GLU CA C 43 57.070 57.973 -0.903 2
1 517 . 1 1 A 43 43 GLU CB C 43 30.430 30.143 0.287 2
1 519 . 1 1 A 43 43 GLU N N 43 121.153 121.150 0.004 2
1 520 . 1 1 A 44 44 ASP H H 44 8.325 7.955 0.370 2
1 521 . 1 1 A 44 44 ASP HA H 44 4.517 4.637 -0.120 2
1 524 . 1 1 A 44 44 ASP C C 44 176.462 175.299 1.163 2
1 525 . 1 1 A 44 44 ASP CA C 44 54.360 54.591 -0.231 2
1 526 . 1 1 A 44 44 ASP CB C 44 41.030 41.337 -0.307 2
1 527 . 1 1 A 44 44 ASP N N 44 121.100 119.190 1.910 2
1 528 . 1 1 A 45 45 ARG H H 45 8.106 8.413 -0.307 2
1 529 . 1 1 A 45 45 ARG HA H 45 4.252 4.444 -0.192 2
1 536 . 1 1 A 45 45 ARG C C 45 176.475 175.540 0.935 2
1 537 . 1 1 A 45 45 ARG CA C 45 56.000 56.186 -0.186 2
1 538 . 1 1 A 45 45 ARG CB C 45 30.360 30.486 -0.126 2
1 541 . 1 1 A 45 45 ARG N N 45 121.258 123.577 -2.319 2
1 542 . 1 1 A 46 46 ALA H H 46 8.235 8.027 0.208 2
1 543 . 1 1 A 46 46 ALA HA H 46 4.220 4.375 -0.155 2
1 547 . 1 1 A 46 46 ALA C C 46 178.196 176.862 1.334 2
1 548 . 1 1 A 46 46 ALA CA C 46 53.070 52.454 0.616 2
1 549 . 1 1 A 46 46 ALA CB C 46 18.840 19.004 -0.164 2
1 550 . 1 1 A 46 46 ALA N N 46 124.506 124.522 -0.016 2
1 551 . 1 1 A 47 47 SER H H 47 8.150 8.232 -0.082 2
1 552 . 1 1 A 47 47 SER HA H 47 4.331 4.475 -0.144 2
1 555 . 1 1 A 47 47 SER C C 47 174.727 173.952 0.775 2
1 556 . 1 1 A 47 47 SER CA C 47 58.820 58.481 0.339 2
1 557 . 1 1 A 47 47 SER CB C 47 63.520 63.320 0.200 2
1 558 . 1 1 A 47 47 SER N N 47 114.398 115.707 -1.309 2
1 559 . 1 1 A 48 48 GLU H H 48 8.235 8.350 -0.115 2
1 560 . 1 1 A 48 48 GLU HA H 48 4.244 4.297 -0.053 2
1 565 . 1 1 A 48 48 GLU C C 48 176.396 176.070 0.326 2
1 566 . 1 1 A 48 48 GLU CA C 48 56.550 56.934 -0.384 2
1 567 . 1 1 A 48 48 GLU CB C 48 30.330 30.025 0.305 2
1 569 . 1 1 A 48 48 GLU N N 48 122.340 123.475 -1.135 2
1 570 . 1 1 A 49 49 ARG H H 49 8.174 8.461 -0.287 2
1 571 . 1 1 A 49 49 ARG HA H 49 4.339 4.270 0.069 2
1 578 . 1 1 A 49 49 ARG C C 49 176.344 175.763 0.581 2
1 579 . 1 1 A 49 49 ARG CA C 49 55.900 56.530 -0.630 2
1 580 . 1 1 A 49 49 ARG CB C 49 30.980 30.392 0.588 2
1 583 . 1 1 A 49 49 ARG N N 49 121.431 121.394 0.037 2
1 584 . 1 1 A 50 50 SER H H 50 8.389 8.263 0.126 2
1 585 . 1 1 A 50 50 SER HA H 50 4.392 4.333 0.059 2
1 588 . 1 1 A 50 50 SER C C 50 174.517 173.953 0.564 2
1 589 . 1 1 A 50 50 SER CA C 50 58.230 58.893 -0.663 2
1 590 . 1 1 A 50 50 SER CB C 50 64.010 63.354 0.656 2
1 591 . 1 1 A 50 50 SER N N 50 117.321 116.126 1.195 2
1 592 . 1 1 A 51 51 ASN H H 51 8.488 8.382 0.106 2
1 593 . 1 1 A 51 51 ASN HA H 51 4.657 4.764 -0.107 2
1 598 . 1 1 A 51 51 ASN C C 51 175.122 174.961 0.161 2
1 599 . 1 1 A 51 51 ASN CA C 51 53.780 53.083 0.697 2
1 600 . 1 1 A 51 51 ASN CB C 51 38.770 38.541 0.229 2
1 601 . 1 1 A 51 51 ASN N N 51 120.903 120.924 -0.021 2
1 603 . 1 1 A 52 52 ASP H H 52 8.231 8.714 -0.483 2
1 604 . 1 1 A 52 52 ASP HA H 52 4.517 4.675 -0.158 2
1 607 . 1 1 A 52 52 ASP C C 52 176.291 175.817 0.474 2
1 608 . 1 1 A 52 52 ASP CA C 52 54.500 54.721 -0.221 2
1 609 . 1 1 A 52 52 ASP CB C 52 41.170 40.710 0.460 2
1 610 . 1 1 A 52 52 ASP N N 52 120.236 123.787 -3.551 2
1 611 . 1 1 A 53 53 GLU H H 53 8.139 7.863 0.276 2
1 612 . 1 1 A 53 53 GLU HA H 53 4.194 4.485 -0.291 2
1 617 . 1 1 A 53 53 GLU C C 53 176.606 176.782 -0.176 2
1 618 . 1 1 A 53 53 GLU CA C 53 56.930 56.113 0.817 2
1 619 . 1 1 A 53 53 GLU CB C 53 30.500 30.328 0.172 2
1 621 . 1 1 A 53 53 GLU N N 53 120.655 120.668 -0.013 2
1 622 . 1 1 A 54 54 VAL H H 54 8.061 8.668 -0.607 2
1 623 . 1 1 A 54 54 VAL HA H 54 3.978 3.909 0.069 2
1 631 . 1 1 A 54 54 VAL C C 54 176.278 176.254 0.024 2
1 632 . 1 1 A 54 54 VAL CA C 54 62.880 65.459 -2.579 2
1 633 . 1 1 A 54 54 VAL CB C 54 32.660 32.138 0.522 2
1 636 . 1 1 A 54 54 VAL N N 54 121.320 122.945 -1.625 2
1 637 . 1 1 A 55 55 LEU H H 55 8.209 7.789 0.420 2
1 638 . 1 1 A 55 55 LEU HA H 55 4.273 4.211 0.062 2
1 648 . 1 1 A 55 55 LEU C C 55 177.355 176.703 0.652 2
1 649 . 1 1 A 55 55 LEU CA C 55 55.290 55.626 -0.336 2
1 650 . 1 1 A 55 55 LEU CB C 55 42.190 41.449 0.741 2
1 654 . 1 1 A 55 55 LEU N N 55 125.139 121.857 3.282 2
1 655 . 1 1 A 56 56 ASP H H 56 8.204 8.808 -0.604 2
1 656 . 1 1 A 56 56 ASP HA H 56 4.516 4.552 -0.036 2
1 659 . 1 1 A 56 56 ASP C C 56 176.633 177.352 -0.719 2
1 660 . 1 1 A 56 56 ASP CA C 56 54.360 55.618 -1.258 2
1 661 . 1 1 A 56 56 ASP CB C 56 41.070 40.582 0.488 2
1 662 . 1 1 A 56 56 ASP N N 56 121.154 126.717 -5.563 2
1 663 . 1 1 A 57 57 GLU H H 57 8.316 8.030 0.286 2
1 664 . 1 1 A 57 57 GLU HA H 57 4.164 4.327 -0.163 2
1 669 . 1 1 A 57 57 GLU C C 57 177.158 177.229 -0.071 2
1 670 . 1 1 A 57 57 GLU CA C 57 57.650 57.453 0.197 2
1 671 . 1 1 A 57 57 GLU CB C 57 30.020 29.779 0.241 2
1 673 . 1 1 A 57 57 GLU N N 57 120.771 118.507 2.264 2
1 674 . 1 1 A 58 58 LEU H H 58 8.204 7.332 0.872 2
1 675 . 1 1 A 58 58 LEU HA H 58 4.231 4.356 -0.125 2
1 685 . 1 1 A 58 58 LEU C C 58 178.538 177.243 1.295 2
1 686 . 1 1 A 58 58 LEU CA C 58 55.690 55.123 0.567 2
1 687 . 1 1 A 58 58 LEU CB C 58 42.230 42.190 0.040 2
1 691 . 1 1 A 58 58 LEU N N 58 120.716 121.099 -0.383 2
1 692 . 1 1 A 59 59 GLY H H 59 8.212 8.156 0.056 2
1 693 . 1 1 A 59 59 GLY HA2 H 59 3.917 4.078 -0.161 2
1 694 . 1 1 A 59 59 GLY HA3 H 59 3.917 4.084 -0.167 2
1 695 . 1 1 A 59 59 GLY C C 59 174.294 175.131 -0.837 2
1 696 . 1 1 A 59 59 GLY CA C 59 45.550 45.203 0.347 2
1 697 . 1 1 A 59 59 GLY N N 59 108.670 108.168 0.502 2
1 698 . 1 1 A 60 60 GLN H H 60 8.310 8.789 -0.479 2
1 699 . 1 1 A 60 60 GLN HA H 60 4.079 3.902 0.177 2
1 706 . 1 1 A 60 60 GLN C C 60 177.171 177.728 -0.557 2
1 707 . 1 1 A 60 60 GLN CA C 60 57.590 58.868 -1.278 2
1 708 . 1 1 A 60 60 GLN CB C 60 28.960 28.490 0.470 2
1 710 . 1 1 A 60 60 GLN N N 60 120.662 122.096 -1.434 2
1 712 . 1 1 A 61 61 VAL H H 61 8.136 8.137 -0.001 2
1 713 . 1 1 A 61 61 VAL HA H 61 3.971 3.708 0.263 2
1 721 . 1 1 A 61 61 VAL C C 61 178.262 178.093 0.169 2
1 722 . 1 1 A 61 61 VAL CA C 61 64.420 66.075 -1.655 2
1 723 . 1 1 A 61 61 VAL CB C 61 32.110 31.132 0.978 2
1 726 . 1 1 A 61 61 VAL N N 61 119.154 119.698 -0.544 2
1 727 . 1 1 A 62 62 GLY H H 62 8.183 8.307 -0.124 2
1 728 . 1 1 A 62 62 GLY HA2 H 62 3.966 3.688 0.278 2
1 729 . 1 1 A 62 62 GLY HA3 H 62 3.783 3.699 0.084 2
1 730 . 1 1 A 62 62 GLY C C 62 174.872 175.832 -0.960 2
1 731 . 1 1 A 62 62 GLY CA C 62 46.780 47.130 -0.350 2
1 732 . 1 1 A 62 62 GLY N N 62 110.813 108.291 2.522 2
1 733 . 1 1 A 63 63 GLN H H 63 8.235 7.862 0.373 2
1 734 . 1 1 A 63 63 GLN HA H 63 3.966 3.966 0.000 2
1 741 . 1 1 A 63 63 GLN C C 63 178.170 178.252 -0.082 2
1 742 . 1 1 A 63 63 GLN CA C 63 58.990 58.690 0.300 2
1 743 . 1 1 A 63 63 GLN CB C 63 28.500 28.414 0.086 2
1 745 . 1 1 A 63 63 GLN N N 63 120.667 121.518 -0.851 2
1 747 . 1 1 A 64 64 ASP H H 64 8.386 8.160 0.226 2
1 748 . 1 1 A 64 64 ASP HA H 64 4.347 4.377 -0.030 2
1 751 . 1 1 A 64 64 ASP C C 64 178.669 178.734 -0.065 2
1 752 . 1 1 A 64 64 ASP CA C 64 56.860 57.060 -0.200 2
1 753 . 1 1 A 64 64 ASP CB C 64 39.970 40.595 -0.625 2
1 754 . 1 1 A 64 64 ASP N N 64 120.058 119.966 0.092 2
1 755 . 1 1 A 65 65 GLU H H 65 7.992 7.810 0.182 2
1 756 . 1 1 A 65 65 GLU HA H 65 3.542 4.059 -0.517 2
1 761 . 1 1 A 65 65 GLU C C 65 177.842 178.814 -0.972 2
1 762 . 1 1 A 65 65 GLU CA C 65 59.560 58.792 0.768 2
1 763 . 1 1 A 65 65 GLU CB C 65 29.100 29.319 -0.219 2
1 765 . 1 1 A 65 65 GLU N N 65 123.846 119.640 4.206 2
1 766 . 1 1 A 66 66 LEU H H 66 8.100 8.220 -0.120 2
1 767 . 1 1 A 66 66 LEU HA H 66 3.783 3.876 -0.093 2
1 777 . 1 1 A 66 66 LEU C C 66 178.893 178.678 0.215 2
1 778 . 1 1 A 66 66 LEU CA C 66 58.610 57.820 0.790 2
1 779 . 1 1 A 66 66 LEU CB C 66 41.510 41.366 0.144 2
1 783 . 1 1 A 66 66 LEU N N 66 119.444 120.703 -1.259 2
1 784 . 1 1 A 67 67 ARG H H 67 7.870 8.124 -0.254 2
1 785 . 1 1 A 67 67 ARG HA H 67 4.095 3.924 0.171 2
1 792 . 1 1 A 67 67 ARG C C 67 179.484 178.168 1.316 2
1 793 . 1 1 A 67 67 ARG CA C 67 59.490 59.560 -0.070 2
1 794 . 1 1 A 67 67 ARG CB C 67 30.230 29.907 0.324 2
1 797 . 1 1 A 67 67 ARG N N 67 118.088 119.800 -1.712 2
1 798 . 1 1 A 68 68 ALA H H 68 7.820 7.673 0.148 2
1 799 . 1 1 A 68 68 ALA HA H 68 4.188 4.056 0.132 2
1 803 . 1 1 A 68 68 ALA C C 68 181.626 180.220 1.406 2
1 804 . 1 1 A 68 68 ALA CA C 68 54.840 54.999 -0.159 2
1 805 . 1 1 A 68 68 ALA CB C 68 18.400 18.424 -0.024 2
1 806 . 1 1 A 68 68 ALA N N 68 123.318 121.560 1.758 2
1 807 . 1 1 A 69 69 ILE H H 69 8.643 7.793 0.850 2
1 808 . 1 1 A 69 69 ILE HA H 69 3.539 3.695 -0.156 2
1 818 . 1 1 A 69 69 ILE C C 69 177.290 177.592 -0.302 2
1 819 . 1 1 A 69 69 ILE CA C 69 66.370 65.372 0.998 2
1 820 . 1 1 A 69 69 ILE CB C 69 38.090 37.914 0.176 2
1 824 . 1 1 A 69 69 ILE N N 69 122.954 119.034 3.920 2
1 825 . 1 1 A 70 70 ASP H H 70 8.415 8.378 0.037 2
1 826 . 1 1 A 70 70 ASP HA H 70 4.336 4.390 -0.054 2
1 829 . 1 1 A 70 70 ASP C C 70 179.786 178.554 1.232 2
1 830 . 1 1 A 70 70 ASP CA C 70 58.130 57.243 0.887 2
1 831 . 1 1 A 70 70 ASP CB C 70 40.310 40.721 -0.411 2
1 832 . 1 1 A 70 70 ASP N N 70 121.571 120.203 1.368 2
1 833 . 1 1 A 71 71 ALA H H 71 7.869 7.965 -0.095 2
1 834 . 1 1 A 71 71 ALA HA H 71 4.215 4.164 0.051 2
1 838 . 1 1 A 71 71 ALA C C 71 180.246 179.765 0.481 2
1 839 . 1 1 A 71 71 ALA CA C 71 54.500 54.838 -0.338 2
1 840 . 1 1 A 71 71 ALA CB C 71 17.680 18.318 -0.638 2
1 841 . 1 1 A 71 71 ALA N N 71 121.459 122.114 -0.655 2
1 842 . 1 1 A 72 72 ALA H H 72 8.263 7.895 0.368 2
1 843 . 1 1 A 72 72 ALA HA H 72 4.045 4.279 -0.234 2
1 847 . 1 1 A 72 72 ALA C C 72 179.668 180.171 -0.503 2
1 848 . 1 1 A 72 72 ALA CA C 72 55.560 55.147 0.413 2
1 849 . 1 1 A 72 72 ALA CB C 72 19.870 18.393 1.477 2
1 850 . 1 1 A 72 72 ALA N N 72 123.378 120.896 2.482 2
1 851 . 1 1 A 73 73 LEU H H 73 8.790 8.311 0.479 2
1 852 . 1 1 A 73 73 LEU HA H 73 3.920 3.947 -0.027 2
1 862 . 1 1 A 73 73 LEU C C 73 180.286 179.272 1.014 2
1 863 . 1 1 A 73 73 LEU CA C 73 58.130 57.898 0.232 2
1 864 . 1 1 A 73 73 LEU CB C 73 41.200 41.102 0.098 2
1 868 . 1 1 A 73 73 LEU N N 73 119.015 119.121 -0.105 2
1 869 . 1 1 A 74 74 ALA H H 74 7.931 8.099 -0.168 2
1 870 . 1 1 A 74 74 ALA HA H 74 4.273 4.039 0.234 2
1 874 . 1 1 A 74 74 ALA C C 74 180.811 179.512 1.299 2
1 875 . 1 1 A 74 74 ALA CA C 74 54.960 55.105 -0.145 2
1 876 . 1 1 A 74 74 ALA CB C 74 17.690 18.202 -0.512 2
1 877 . 1 1 A 74 74 ALA N N 74 124.135 122.133 2.002 2
1 878 . 1 1 A 75 75 ARG H H 75 7.898 7.666 0.232 2
1 879 . 1 1 A 75 75 ARG HA H 75 4.138 4.110 0.028 2
1 886 . 1 1 A 75 75 ARG C C 75 179.721 178.990 0.731 2
1 887 . 1 1 A 75 75 ARG CA C 75 60.170 58.956 1.214 2
1 888 . 1 1 A 75 75 ARG CB C 75 29.970 30.044 -0.074 2
1 891 . 1 1 A 75 75 ARG N N 75 120.143 117.245 2.898 2
1 892 . 1 1 A 76 76 ILE H H 76 8.061 7.912 0.149 2
1 893 . 1 1 A 76 76 ILE HA H 76 3.697 3.756 -0.059 2
1 903 . 1 1 A 76 76 ILE C C 76 179.392 177.926 1.466 2
1 904 . 1 1 A 76 76 ILE CA C 76 66.060 65.513 0.547 2
1 905 . 1 1 A 76 76 ILE CB C 76 37.240 37.869 -0.629 2
1 909 . 1 1 A 76 76 ILE N N 76 121.537 121.478 0.059 2
1 910 . 1 1 A 77 77 ALA H H 77 7.735 8.189 -0.454 2
1 911 . 1 1 A 77 77 ALA HA H 77 4.132 4.096 0.036 2
1 915 . 1 1 A 77 77 ALA C C 77 179.326 179.945 -0.619 2
1 916 . 1 1 A 77 77 ALA CA C 77 54.910 55.130 -0.220 2
1 917 . 1 1 A 77 77 ALA CB C 77 17.950 18.122 -0.172 2
1 918 . 1 1 A 77 77 ALA N N 77 122.664 122.534 0.130 2
1 919 . 1 1 A 78 78 SER H H 78 7.999 7.580 0.419 2
1 920 . 1 1 A 78 78 SER HA H 78 4.472 4.529 -0.057 2
1 923 . 1 1 A 78 78 SER C C 78 174.675 174.785 -0.110 2
1 924 . 1 1 A 78 78 SER CA C 78 59.260 58.574 0.686 2
1 925 . 1 1 A 78 78 SER CB C 78 64.070 63.793 0.277 2
1 926 . 1 1 A 78 78 SER N N 78 111.061 110.909 0.152 2
1 927 . 1 1 A 79 79 GLY H H 79 7.844 7.797 0.047 2
1 928 . 1 1 A 79 79 GLY HA2 H 79 4.233 3.973 0.260 2
1 929 . 1 1 A 79 79 GLY HA3 H 79 4.087 3.989 0.098 2
1 930 . 1 1 A 79 79 GLY C C 79 175.687 174.132 1.555 2
1 931 . 1 1 A 79 79 GLY CA C 79 46.470 45.920 0.550 2
1 932 . 1 1 A 79 79 GLY N N 79 109.909 109.115 0.794 2
1 933 . 1 1 A 80 80 THR H H 80 8.408 7.907 0.501 2
1 934 . 1 1 A 80 80 THR HA H 80 4.504 4.534 -0.030 2
1 939 . 1 1 A 80 80 THR C C 80 174.793 174.123 0.670 2
1 940 . 1 1 A 80 80 THR CA C 80 60.280 61.375 -1.095 2
1 941 . 1 1 A 80 80 THR CB C 80 69.000 69.279 -0.279 2
1 943 . 1 1 A 80 80 THR N N 80 109.416 115.536 -6.120 2
1 944 . 1 1 A 81 81 PHE H H 81 7.610 7.609 0.001 2
1 945 . 1 1 A 81 81 PHE HA H 81 3.944 4.255 -0.311 2
1 950 . 1 1 A 81 81 PHE C C 81 176.462 176.887 -0.425 2
1 951 . 1 1 A 81 81 PHE CA C 81 59.940 59.936 0.004 2
1 952 . 1 1 A 81 81 PHE CB C 81 39.700 38.729 0.971 2
1 954 . 1 1 A 81 81 PHE N N 81 123.672 123.465 0.207 2
1 955 . 1 1 A 82 82 GLY H H 82 8.827 8.164 0.663 2
1 956 . 1 1 A 82 82 GLY HA2 H 82 4.000 3.421 0.579 2
1 957 . 1 1 A 82 82 GLY HA3 H 82 2.606 3.626 -1.020 2
1 958 . 1 1 A 82 82 GLY C C 82 172.388 173.911 -1.523 2
1 959 . 1 1 A 82 82 GLY CA C 82 44.590 46.069 -1.479 2
1 960 . 1 1 A 82 82 GLY N N 82 115.493 113.871 1.622 2
1 961 . 1 1 A 83 83 THR H H 83 7.265 7.492 -0.227 2
1 962 . 1 1 A 83 83 THR HA H 83 4.418 4.606 -0.188 2
1 967 . 1 1 A 83 83 THR C C 83 173.808 173.040 0.768 2
1 968 . 1 1 A 83 83 THR CA C 83 61.180 61.167 0.013 2
1 969 . 1 1 A 83 83 THR CB C 83 70.020 70.812 -0.792 2
1 971 . 1 1 A 83 83 THR N N 83 115.366 114.425 0.941 2
1 972 . 1 1 A 84 84 CYS H H 84 9.410 8.596 0.814 2
1 973 . 1 1 A 84 84 CYS HA H 84 4.339 4.698 -0.359 2
1 976 . 1 1 A 84 84 CYS C C 84 177.986 175.644 2.342 2
1 977 . 1 1 A 84 84 CYS CA C 84 60.080 58.962 1.118 2
1 978 . 1 1 A 84 84 CYS CB C 84 30.630 27.802 2.828 2
1 979 . 1 1 A 84 84 CYS N N 84 131.144 125.711 5.433 2
1 980 . 1 1 A 85 85 VAL H H 85 8.461 8.173 0.288 2
1 981 . 1 1 A 85 85 VAL HA H 85 3.918 3.734 0.184 2
1 989 . 1 1 A 85 85 VAL C C 85 175.608 177.530 -1.922 2
1 990 . 1 1 A 85 85 VAL CA C 85 64.080 65.238 -1.158 2
1 991 . 1 1 A 85 85 VAL CB C 85 31.730 31.347 0.383 2
1 994 . 1 1 A 85 85 VAL N N 85 126.221 125.113 1.108 2
1 995 . 1 1 A 86 86 LYS H H 86 8.924 8.101 0.823 2
1 996 . 1 1 A 86 86 LYS HA H 86 4.496 4.132 0.364 2
1 1005 . 1 1 A 86 86 LYS C C 86 177.277 177.717 -0.440 2
1 1006 . 1 1 A 86 86 LYS CA C 86 58.500 58.763 -0.262 2
1 1007 . 1 1 A 86 86 LYS CB C 86 33.780 32.402 1.378 2
1 1011 . 1 1 A 86 86 LYS N N 86 123.551 121.808 1.743 2
1 1012 . 1 1 A 87 87 CYS H H 87 8.264 7.563 0.701 2
1 1013 . 1 1 A 87 87 CYS HA H 87 4.925 4.589 0.336 2
1 1016 . 1 1 A 87 87 CYS C C 87 177.211 175.492 1.719 2
1 1017 . 1 1 A 87 87 CYS CA C 87 58.980 59.019 -0.039 2
1 1018 . 1 1 A 87 87 CYS CB C 87 33.100 29.555 3.545 2
1 1019 . 1 1 A 87 87 CYS N N 87 117.502 115.250 2.252 2
1 1020 . 1 1 A 88 88 GLY H H 88 7.655 8.136 -0.481 2
1 1021 . 1 1 A 88 88 GLY HA2 H 88 4.159 3.939 0.220 2
1 1022 . 1 1 A 88 88 GLY HA3 H 88 3.729 3.941 -0.212 2
1 1023 . 1 1 A 88 88 GLY C C 88 173.558 173.857 -0.299 2
1 1024 . 1 1 A 88 88 GLY CA C 88 46.300 46.206 0.094 2
1 1025 . 1 1 A 88 88 GLY N N 88 111.948 111.073 0.875 2
1 1026 . 1 1 A 89 89 LYS H H 89 8.721 7.521 1.200 2
1 1027 . 1 1 A 89 89 LYS HA H 89 4.315 4.788 -0.473 2
1 1036 . 1 1 A 89 89 LYS C C 89 176.659 175.191 1.468 2
1 1037 . 1 1 A 89 89 LYS CA C 89 56.860 54.362 2.498 2
1 1038 . 1 1 A 89 89 LYS CB C 89 33.540 35.342 -1.802 2
1 1042 . 1 1 A 89 89 LYS N N 89 123.614 118.876 4.738 2
1 1043 . 1 1 A 90 90 ARG H H 90 8.415 8.435 -0.020 2
1 1044 . 1 1 A 90 90 ARG HA H 90 4.299 4.532 -0.233 2
1 1051 . 1 1 A 90 90 ARG C C 90 176.041 176.134 -0.093 2
1 1052 . 1 1 A 90 90 ARG CA C 90 56.030 55.988 0.042 2
1 1053 . 1 1 A 90 90 ARG CB C 90 29.470 31.233 -1.763 2
1 1056 . 1 1 A 90 90 ARG N N 90 121.880 121.282 0.598 2
1 1057 . 1 1 A 91 91 ILE H H 91 8.334 8.390 -0.056 2
1 1058 . 1 1 A 91 91 ILE HA H 91 3.668 4.410 -0.742 2
1 1068 . 1 1 A 91 91 ILE C C 91 175.003 176.147 -1.144 2
1 1069 . 1 1 A 91 91 ILE CA C 91 61.810 60.376 1.434 2
1 1070 . 1 1 A 91 91 ILE CB C 91 38.920 39.024 -0.104 2
1 1074 . 1 1 A 91 91 ILE N N 91 128.410 124.513 3.897 2
1 1075 . 1 1 A 92 92 SER H H 92 8.551 8.689 -0.138 2
1 1076 . 1 1 A 92 92 SER HA H 92 4.180 4.452 -0.272 2
1 1079 . 1 1 A 92 92 SER C C 92 175.108 175.076 0.032 2
1 1080 . 1 1 A 92 92 SER CA C 92 58.460 58.702 -0.242 2
1 1081 . 1 1 A 92 92 SER CB C 92 64.180 63.765 0.415 2
1 1082 . 1 1 A 92 92 SER N N 92 124.170 120.818 3.352 2
1 1083 . 1 1 A 93 93 GLU H H 93 8.912 8.901 0.011 2
1 1084 . 1 1 A 93 93 GLU HA H 93 3.939 3.973 -0.033 2
1 1089 . 1 1 A 93 93 GLU C C 93 178.144 177.939 0.205 2
1 1090 . 1 1 A 93 93 GLU CA C 93 60.080 59.378 0.702 2
1 1091 . 1 1 A 93 93 GLU CB C 93 29.960 29.399 0.561 2
1 1093 . 1 1 A 93 93 GLU N N 93 123.996 124.679 -0.683 2
1 1094 . 1 1 A 94 94 ASP H H 94 8.311 8.283 0.028 2
1 1095 . 1 1 A 94 94 ASP HA H 94 4.252 4.431 -0.179 2
1 1098 . 1 1 A 94 94 ASP C C 94 178.472 178.460 0.012 2
1 1099 . 1 1 A 94 94 ASP CA C 94 57.240 56.599 0.641 2
1 1100 . 1 1 A 94 94 ASP CB C 94 40.420 40.204 0.216 2
1 1101 . 1 1 A 94 94 ASP N N 94 116.432 120.194 -3.762 2
1 1102 . 1 1 A 95 95 ARG H H 95 7.365 7.943 -0.578 2
1 1103 . 1 1 A 95 95 ARG HA H 95 4.067 4.117 -0.050 2
1 1110 . 1 1 A 95 95 ARG C C 95 177.237 178.622 -1.385 2
1 1111 . 1 1 A 95 95 ARG CA C 95 58.870 58.433 0.437 2
1 1112 . 1 1 A 95 95 ARG CB C 95 29.100 29.913 -0.813 2
1 1115 . 1 1 A 95 95 ARG N N 95 121.517 120.552 0.965 2
1 1116 . 1 1 A 96 96 LEU H H 96 7.831 7.973 -0.142 2
1 1117 . 1 1 A 96 96 LEU HA H 96 3.735 3.906 -0.172 2
1 1127 . 1 1 A 96 96 LEU C C 96 177.855 179.453 -1.598 2
1 1128 . 1 1 A 96 96 LEU CA C 96 56.930 57.257 -0.327 2
1 1129 . 1 1 A 96 96 LEU CB C 96 41.300 41.043 0.257 2
1 1133 . 1 1 A 96 96 LEU N N 96 119.073 119.500 -0.427 2
1 1134 . 1 1 A 97 97 LYS H H 97 8.098 8.389 -0.291 2
1 1135 . 1 1 A 97 97 LYS HA H 97 4.014 4.308 -0.293 2
1 1144 . 1 1 A 97 97 LYS C C 97 178.433 178.655 -0.222 2
1 1145 . 1 1 A 97 97 LYS CA C 97 59.080 59.068 0.012 2
1 1146 . 1 1 A 97 97 LYS CB C 97 32.830 31.957 0.873 2
1 1150 . 1 1 A 97 97 LYS N N 97 114.647 118.534 -3.887 2
1 1151 . 1 1 A 98 98 ALA H H 98 7.011 7.319 -0.307 2
1 1152 . 1 1 A 98 98 ALA HA H 98 4.196 4.252 -0.056 2
1 1156 . 1 1 A 98 98 ALA C C 98 178.814 177.786 1.028 2
1 1157 . 1 1 A 98 98 ALA CA C 98 54.480 54.001 0.479 2
1 1158 . 1 1 A 98 98 ALA CB C 98 19.380 19.501 -0.121 2
1 1159 . 1 1 A 98 98 ALA N N 98 119.536 120.684 -1.148 2
1 1160 . 1 1 A 99 99 VAL H H 99 8.133 7.677 0.456 2
1 1161 . 1 1 A 99 99 VAL HA H 99 4.098 4.164 -0.066 2
1 1169 . 1 1 A 99 99 VAL CA C 99 58.260 59.079 -0.819 2
1 1170 . 1 1 A 99 99 VAL CB C 99 32.530 32.494 0.036 2
1 1173 . 1 1 A 99 99 VAL N N 99 114.735 115.471 -0.736 2
1 1174 . 1 1 A 100 100 PRO HA H 100 4.761 4.394 0.367 2
1 1181 . 1 1 A 100 100 PRO C C 100 175.437 177.133 -1.696 2
1 1182 . 1 1 A 100 100 PRO CA C 100 65.370 64.170 1.200 2
1 1183 . 1 1 A 100 100 PRO CB C 100 31.190 31.892 -0.702 2
1 1186 . 1 1 A 101 101 TYR H H 101 6.053 7.627 -1.574 2
1 1187 . 1 1 A 101 101 TYR HA H 101 4.463 4.662 -0.200 2
1 1194 . 1 1 A 101 101 TYR C C 101 175.871 175.150 0.721 2
1 1195 . 1 1 A 101 101 TYR CA C 101 53.920 57.167 -3.247 2
1 1196 . 1 1 A 101 101 TYR CB C 101 38.230 38.580 -0.350 2
1 1199 . 1 1 A 101 101 TYR N N 101 108.211 115.059 -6.848 2
1 1200 . 1 1 A 102 102 THR H H 102 7.466 7.457 0.009 2
1 1201 . 1 1 A 102 102 THR HA H 102 4.384 4.621 -0.237 2
1 1206 . 1 1 A 102 102 THR CA C 102 60.030 58.656 1.374 2
1 1207 . 1 1 A 102 102 THR CB C 102 69.600 70.167 -0.567 2
1 1209 . 1 1 A 102 102 THR N N 102 120.556 115.365 5.191 2
1 1210 . 1 1 A 103 103 PRO HA H 103 4.244 4.340 -0.095 2
1 1217 . 1 1 A 103 103 PRO C C 103 176.344 175.872 0.472 2
1 1218 . 1 1 A 103 103 PRO CA C 103 62.400 63.941 -1.541 2
1 1219 . 1 1 A 103 103 PRO CB C 103 32.250 31.502 0.748 2
1 1222 . 1 1 A 104 104 PHE H H 104 7.365 7.107 0.258 2
1 1223 . 1 1 A 104 104 PHE HA H 104 6.207 4.989 1.218 2
1 1230 . 1 1 A 104 104 PHE C C 104 176.133 175.689 0.444 2
1 1231 . 1 1 A 104 104 PHE CA C 104 55.220 56.701 -1.481 2
1 1232 . 1 1 A 104 104 PHE CB C 104 44.480 41.521 2.959 2
1 1235 . 1 1 A 104 104 PHE N N 104 115.933 118.118 -2.185 2
1 1236 . 1 1 A 105 105 CYS H H 105 9.248 8.677 0.571 2
1 1237 . 1 1 A 105 105 CYS HA H 105 4.638 4.735 -0.097 2
1 1240 . 1 1 A 105 105 CYS C C 105 174.254 175.644 -1.390 2
1 1241 . 1 1 A 105 105 CYS CA C 105 58.060 57.647 0.413 2
1 1242 . 1 1 A 105 105 CYS CB C 105 31.250 29.849 1.401 2
1 1243 . 1 1 A 105 105 CYS N N 105 118.999 120.472 -1.473 2
1 1244 . 1 1 A 106 106 GLN H H 106 8.865 8.920 -0.055 2
1 1245 . 1 1 A 106 106 GLN HA H 106 3.611 3.947 -0.336 2
1 1252 . 1 1 A 106 106 GLN C C 106 177.250 177.685 -0.435 2
1 1253 . 1 1 A 106 106 GLN CA C 106 59.430 59.212 0.218 2
1 1254 . 1 1 A 106 106 GLN CB C 106 28.750 28.493 0.257 2
1 1256 . 1 1 A 106 106 GLN N N 106 119.606 122.226 -2.620 2
1 1258 . 1 1 A 107 107 GLU H H 107 8.134 8.426 -0.292 2
1 1259 . 1 1 A 107 107 GLU HA H 107 3.959 4.077 -0.118 2
1 1264 . 1 1 A 107 107 GLU C C 107 179.616 179.040 0.576 2
1 1265 . 1 1 A 107 107 GLU CA C 107 60.110 59.159 0.951 2
1 1266 . 1 1 A 107 107 GLU CB C 107 29.990 29.329 0.661 2
1 1268 . 1 1 A 107 107 GLU N N 107 119.554 118.371 1.183 2
1 1269 . 1 1 A 108 108 CYS H H 108 8.681 8.080 0.601 2
1 1270 . 1 1 A 108 108 CYS HA H 108 3.783 4.169 -0.386 2
1 1273 . 1 1 A 108 108 CYS C C 108 177.868 176.683 1.185 2
1 1274 . 1 1 A 108 108 CYS CA C 108 64.110 62.961 1.149 2
1 1275 . 1 1 A 108 108 CYS CB C 108 29.270 27.049 2.221 2
1 1276 . 1 1 A 108 108 CYS N N 108 123.406 118.629 4.777 2
1 1277 . 1 1 A 109 109 ALA H H 109 8.094 8.207 -0.113 2
1 1278 . 1 1 A 109 109 ALA HA H 109 3.693 4.098 -0.405 2
1 1282 . 1 1 A 109 109 ALA C C 109 178.591 179.874 -1.283 2
1 1283 . 1 1 A 109 109 ALA CA C 109 53.710 54.903 -1.192 2
1 1284 . 1 1 A 109 109 ALA CB C 109 18.430 18.399 0.031 2
1 1285 . 1 1 A 109 109 ALA N N 109 120.579 122.467 -1.888 2
1 1286 . 1 1 A 110 110 ALA H H 110 7.402 7.888 -0.486 2
1 1287 . 1 1 A 110 110 ALA HA H 110 4.111 4.171 -0.060 2
1 1291 . 1 1 A 110 110 ALA C C 110 177.408 178.804 -1.396 2
1 1292 . 1 1 A 110 110 ALA CA C 110 53.000 54.192 -1.192 2
1 1293 . 1 1 A 110 110 ALA CB C 110 18.710 18.464 0.246 2
1 1294 . 1 1 A 110 110 ALA N N 110 118.992 119.648 -0.656 2
1 1295 . 1 1 A 111 111 ALA H H 111 7.247 7.498 -0.252 2
1 1296 . 1 1 A 111 111 ALA HA H 111 4.300 4.339 -0.039 2
1 1300 . 1 1 A 111 111 ALA C C 111 176.488 177.810 -1.322 2
1 1301 . 1 1 A 111 111 ALA CA C 111 51.840 52.173 -0.333 2
1 1302 . 1 1 A 111 111 ALA CB C 111 19.210 19.197 0.013 2
1 1303 . 1 1 A 111 111 ALA N N 111 120.857 119.307 1.550 2
stop_
save_