data_16592_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16592
_Entry.PDB_ID 2KQ8
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 3 3 GLY H H 3 8.337 8.137 0.200 1
1 2 . 1 1 1 A 3 3 GLY HA2 H 3 4.308 3.953 0.355 1
1 3 . 1 1 1 A 3 3 GLY HA3 H 3 3.880 3.965 -0.085 1
1 4 . 1 1 1 A 3 3 GLY CA C 3 44.714 45.361 -0.647 1
1 5 . 1 1 1 A 4 4 ASP H H 4 8.223 7.872 0.351 1
1 6 . 1 1 1 A 4 4 ASP HA H 4 5.315 4.665 0.650 1
1 9 . 1 1 1 A 4 4 ASP CA C 4 58.458 53.829 4.629 1
1 10 . 1 1 1 A 4 4 ASP CB C 4 41.275 41.035 0.240 1
1 11 . 1 1 1 A 4 4 ASP N N 4 119.687 121.845 -2.158 1
1 12 . 1 1 1 A 8 8 ASN H H 8 9.232 7.452 1.780 1
1 13 . 1 1 1 A 8 8 ASN HA H 8 5.076 4.430 0.646 1
1 16 . 1 1 1 A 8 8 ASN CA C 8 52.276 54.637 -2.361 1
1 17 . 1 1 1 A 8 8 ASN CB C 8 38.566 38.676 -0.110 1
1 18 . 1 1 1 A 8 8 ASN N N 8 129.984 119.801 10.183 1
1 19 . 1 1 1 A 13 13 ASN H H 13 8.616 8.153 0.463 1
1 20 . 1 1 1 A 13 13 ASN HA H 13 5.024 4.810 0.214 1
1 25 . 1 1 1 A 13 13 ASN CA C 13 52.945 54.908 -1.963 1
1 26 . 1 1 1 A 13 13 ASN CB C 13 39.596 38.815 0.781 1
1 27 . 1 1 1 A 13 13 ASN N N 13 122.544 122.777 -0.233 1
1 29 . 1 1 1 A 14 14 VAL H H 14 8.619 7.078 1.541 1
1 30 . 1 1 1 A 14 14 VAL HA H 14 4.133 3.529 0.604 1
1 38 . 1 1 1 A 14 14 VAL CA C 14 61.096 65.848 -4.752 1
1 39 . 1 1 1 A 14 14 VAL CB C 14 32.009 31.819 0.190 1
1 42 . 1 1 1 A 14 14 VAL N N 14 122.742 118.511 4.231 1
1 43 . 1 1 1 A 15 15 ARG H H 15 9.322 7.467 1.855 1
1 44 . 1 1 1 A 15 15 ARG HA H 15 5.514 4.682 0.832 1
1 51 . 1 1 1 A 15 15 ARG CA C 15 53.646 54.299 -0.653 1
1 52 . 1 1 1 A 15 15 ARG CB C 15 34.426 33.740 0.686 1
1 55 . 1 1 1 A 15 15 ARG N N 15 125.781 119.802 5.979 1
1 56 . 1 1 1 A 16 16 SER H H 16 8.730 9.092 -0.362 1
1 57 . 1 1 1 A 16 16 SER HA H 16 4.470 4.303 0.167 1
1 60 . 1 1 1 A 16 16 SER CA C 16 59.017 59.633 -0.616 1
1 61 . 1 1 1 A 16 16 SER CB C 16 19.276 62.981 -43.705 1
1 62 . 1 1 1 A 16 16 SER N N 16 112.631 117.232 -4.601 1
1 63 . 1 1 1 A 18 18 GLU H H 18 6.979 7.679 -0.700 1
1 64 . 1 1 1 A 18 18 GLU HA H 18 4.421 4.270 0.151 1
1 69 . 1 1 1 A 18 18 GLU N N 18 113.293 117.875 -4.582 1
1 70 . 1 1 1 A 19 19 GLY H H 19 6.314 7.903 -1.589 1
1 71 . 1 1 1 A 19 19 GLY HA2 H 19 4.306 3.987 0.319 1
1 72 . 1 1 1 A 19 19 GLY HA3 H 19 3.916 4.002 -0.086 1
1 73 . 1 1 1 A 19 19 GLY CA C 19 45.334 45.407 -0.073 1
1 74 . 1 1 1 A 19 19 GLY N N 19 110.212 107.635 2.577 1
1 75 . 1 1 1 A 20 20 THR H H 20 8.804 7.542 1.262 1
1 76 . 1 1 1 A 20 20 THR HA H 20 4.078 4.396 -0.318 1
1 81 . 1 1 1 A 20 20 THR CA C 20 63.267 64.057 -0.790 1
1 82 . 1 1 1 A 20 20 THR CB C 20 68.097 69.982 -1.885 1
1 84 . 1 1 1 A 20 20 THR N N 20 110.310 112.876 -2.566 1
1 85 . 1 1 1 A 21 21 ASN H H 21 8.752 7.354 1.398 1
1 86 . 1 1 1 A 21 21 ASN HA H 21 4.580 4.824 -0.244 1
1 91 . 1 1 1 A 21 21 ASN CA C 21 52.935 52.080 0.855 1
1 92 . 1 1 1 A 21 21 ASN CB C 21 36.494 39.526 -3.032 1
1 93 . 1 1 1 A 21 21 ASN N N 21 115.437 116.827 -1.390 1
1 95 . 1 1 1 A 22 22 TYR H H 22 6.870 8.026 -1.156 1
1 96 . 1 1 1 A 22 22 TYR HA H 22 4.277 4.583 -0.306 1
1 103 . 1 1 1 A 22 22 TYR CA C 22 58.483 57.669 0.814 1
1 104 . 1 1 1 A 22 22 TYR CB C 22 39.094 38.976 0.118 1
1 109 . 1 1 1 A 22 22 TYR N N 22 118.413 121.866 -3.453 1
1 110 . 1 1 1 A 23 23 ARG H H 23 8.107 7.815 0.292 1
1 111 . 1 1 1 A 23 23 ARG HA H 23 4.135 4.433 -0.298 1
1 118 . 1 1 1 A 23 23 ARG CA C 23 56.315 56.352 -0.037 1
1 119 . 1 1 1 A 23 23 ARG CB C 23 30.936 30.160 0.776 1
1 122 . 1 1 1 A 23 23 ARG N N 23 120.620 119.002 1.618 1
1 123 . 1 1 1 A 24 24 ILE H H 24 8.535 7.524 1.011 1
1 124 . 1 1 1 A 24 24 ILE HA H 24 4.296 3.932 0.364 1
1 134 . 1 1 1 A 24 24 ILE CA C 24 61.695 63.847 -2.152 1
1 135 . 1 1 1 A 24 24 ILE CB C 24 37.876 38.555 -0.679 1
1 139 . 1 1 1 A 24 24 ILE N N 24 121.314 118.650 2.664 1
1 140 . 1 1 1 A 25 25 ILE H H 25 8.995 7.473 1.522 1
1 141 . 1 1 1 A 25 25 ILE HA H 25 4.542 4.595 -0.053 1
1 151 . 1 1 1 A 25 25 ILE CA C 25 60.963 59.141 1.822 1
1 152 . 1 1 1 A 25 25 ILE CB C 25 38.523 41.857 -3.334 1
1 156 . 1 1 1 A 25 25 ILE N N 25 121.558 118.736 2.822 1
1 157 . 1 1 1 A 26 26 GLY H H 26 7.396 8.181 -0.785 1
1 158 . 1 1 1 A 26 26 GLY HA2 H 26 4.140 4.035 0.105 1
1 159 . 1 1 1 A 26 26 GLY HA3 H 26 4.002 4.044 -0.042 1
1 160 . 1 1 1 A 26 26 GLY CA C 26 44.715 44.841 -0.126 1
1 161 . 1 1 1 A 26 26 GLY N N 26 108.443 110.709 -2.266 1
1 162 . 1 1 1 A 27 27 ALA H H 27 7.996 8.526 -0.530 1
1 163 . 1 1 1 A 27 27 ALA HA H 27 5.211 4.960 0.251 1
1 167 . 1 1 1 A 27 27 ALA CA C 27 50.903 51.386 -0.483 1
1 168 . 1 1 1 A 27 27 ALA CB C 27 21.348 20.892 0.456 1
1 169 . 1 1 1 A 27 27 ALA N N 27 120.625 125.216 -4.591 1
1 170 . 1 1 1 A 29 29 PRO HA H 29 4.952 4.760 0.192 1
1 177 . 1 1 1 A 29 29 PRO CA C 29 50.614 62.291 -11.677 1
1 178 . 1 1 1 A 29 29 PRO CB C 29 26.144 32.815 -6.671 1
1 181 . 1 1 1 A 32 32 GLN H H 32 9.259 7.920 1.339 1
1 182 . 1 1 1 A 32 32 GLN HA H 32 5.443 4.668 0.775 1
1 183 . 1 1 1 A 32 32 GLN CA C 32 55.719 55.000 0.719 1
1 184 . 1 1 1 A 32 32 GLN N N 32 116.392 119.854 -3.462 1
1 185 . 1 1 1 A 34 34 VAL H H 34 8.618 8.464 0.154 1
1 186 . 1 1 1 A 34 34 VAL HA H 34 4.132 4.109 0.023 1
1 194 . 1 1 1 A 34 34 VAL CA C 34 61.096 62.994 -1.898 1
1 195 . 1 1 1 A 34 34 VAL CB C 34 32.009 30.811 1.198 1
1 198 . 1 1 1 A 34 34 VAL N N 34 122.742 119.101 3.641 1
1 200 . 1 1 1 A 37 37 ILE H H 37 9.258 9.038 0.220 1
1 201 . 1 1 1 A 37 37 ILE HA H 37 3.892 4.018 -0.126 1
1 211 . 1 1 1 A 37 37 ILE CA C 37 63.577 63.027 0.550 1
1 212 . 1 1 1 A 37 37 ILE CB C 37 39.554 38.517 1.037 1
1 216 . 1 1 1 A 37 37 ILE N N 37 129.778 126.744 3.034 1
1 217 . 1 1 1 A 38 38 SER H H 38 7.438 7.730 -0.292 1
1 218 . 1 1 1 A 38 38 SER HA H 38 4.463 4.717 -0.254 1
1 221 . 1 1 1 A 38 38 SER CA C 38 57.098 57.611 -0.513 1
1 222 . 1 1 1 A 38 38 SER CB C 38 63.350 65.344 -1.994 1
1 223 . 1 1 1 A 38 38 SER N N 38 109.846 111.794 -1.948 1
1 224 . 1 1 1 A 39 39 GLU H H 39 8.698 8.453 0.245 1
1 225 . 1 1 1 A 39 39 GLU HA H 39 5.181 4.863 0.318 1
1 230 . 1 1 1 A 39 39 GLU CA C 39 55.046 57.032 -1.986 1
1 231 . 1 1 1 A 39 39 GLU CB C 39 32.339 30.243 2.096 1
1 233 . 1 1 1 A 39 39 GLU N N 39 120.149 122.888 -2.739 1
1 234 . 1 1 1 A 40 40 ASN H H 40 8.802 9.512 -0.710 1
1 235 . 1 1 1 A 40 40 ASN HA H 40 4.774 5.177 -0.403 1
1 240 . 1 1 1 A 40 40 ASN CA C 40 54.054 52.346 1.708 1
1 241 . 1 1 1 A 40 40 ASN CB C 40 41.280 40.862 0.418 1
1 242 . 1 1 1 A 40 40 ASN N N 40 119.687 122.739 -3.052 1
1 244 . 1 1 1 A 41 41 SER H H 41 9.138 9.322 -0.184 1
1 245 . 1 1 1 A 41 41 SER HA H 41 4.054 4.141 -0.087 1
1 248 . 1 1 1 A 41 41 SER CA C 41 58.464 59.276 -0.812 1
1 249 . 1 1 1 A 41 41 SER CB C 41 61.911 62.493 -0.582 1
1 250 . 1 1 1 A 41 41 SER N N 41 118.754 122.064 -3.310 1
1 251 . 1 1 1 A 42 42 GLY H H 42 8.411 8.458 -0.047 1
1 252 . 1 1 1 A 42 42 GLY HA2 H 42 4.080 3.960 0.120 1
1 253 . 1 1 1 A 42 42 GLY HA3 H 42 3.419 4.059 -0.640 1
1 254 . 1 1 1 A 42 42 GLY CA C 42 45.042 45.335 -0.293 1
1 255 . 1 1 1 A 42 42 GLY N N 42 105.488 106.271 -0.783 1
1 256 . 1 1 1 A 43 43 TRP H H 43 8.216 7.692 0.524 1
1 257 . 1 1 1 A 43 43 TRP HA H 43 5.046 4.877 0.169 1
1 266 . 1 1 1 A 43 43 TRP CA C 43 56.182 57.496 -1.314 1
1 267 . 1 1 1 A 43 43 TRP CB C 43 32.162 30.479 1.683 1
1 273 . 1 1 1 A 43 43 TRP N N 43 122.262 121.477 0.785 1
1 275 . 1 1 1 A 44 44 SER H H 44 10.151 9.496 0.655 1
1 276 . 1 1 1 A 44 44 SER HA H 44 5.028 5.051 -0.023 1
1 279 . 1 1 1 A 44 44 SER CA C 44 58.463 58.264 0.199 1
1 280 . 1 1 1 A 44 44 SER CB C 44 64.198 64.395 -0.197 1
1 281 . 1 1 1 A 44 44 SER N N 44 122.494 118.600 3.894 1
1 282 . 1 1 1 A 45 45 LYS H H 45 8.905 9.075 -0.170 1
1 283 . 1 1 1 A 45 45 LYS HA H 45 4.474 4.522 -0.048 1
1 292 . 1 1 1 A 45 45 LYS CA C 45 55.039 56.274 -1.235 1
1 293 . 1 1 1 A 45 45 LYS CB C 45 33.755 32.718 1.037 1
1 297 . 1 1 1 A 45 45 LYS N N 45 128.116 124.805 3.311 1
1 298 . 1 1 1 A 46 46 ILE H H 46 8.912 8.431 0.481 1
1 299 . 1 1 1 A 46 46 ILE HA H 46 4.974 4.954 0.020 1
1 309 . 1 1 1 A 46 46 ILE CA C 46 58.570 58.936 -0.366 1
1 310 . 1 1 1 A 46 46 ILE CB C 46 42.651 42.288 0.363 1
1 314 . 1 1 1 A 46 46 ILE N N 46 119.419 118.739 0.680 1
1 315 . 1 1 1 A 47 47 ASN H H 47 8.855 8.855 0.000 1
1 316 . 1 1 1 A 47 47 ASN HA H 47 5.016 5.298 -0.282 1
1 321 . 1 1 1 A 47 47 ASN CA C 47 52.281 51.705 0.576 1
1 322 . 1 1 1 A 47 47 ASN CB C 47 39.208 41.175 -1.967 1
1 323 . 1 1 1 A 47 47 ASN N N 47 119.209 123.133 -3.924 1
1 325 . 1 1 1 A 48 48 TYR H H 48 9.147 9.242 -0.095 1
1 326 . 1 1 1 A 48 48 TYR HA H 48 4.647 4.856 -0.209 1
1 333 . 1 1 1 A 48 48 TYR CA C 48 56.347 56.972 -0.625 1
1 334 . 1 1 1 A 48 48 TYR CB C 48 39.210 39.388 -0.178 1
1 339 . 1 1 1 A 48 48 TYR N N 48 126.582 128.393 -1.811 1
1 340 . 1 1 1 A 49 49 ASN H H 49 8.807 9.049 -0.242 1
1 341 . 1 1 1 A 49 49 ASN HA H 49 4.110 4.248 -0.138 1
1 346 . 1 1 1 A 49 49 ASN CA C 49 53.309 53.938 -0.629 1
1 347 . 1 1 1 A 49 49 ASN CB C 49 37.118 37.409 -0.291 1
1 348 . 1 1 1 A 49 49 ASN N N 49 125.133 125.535 -0.402 1
1 350 . 1 1 1 A 50 50 GLY H H 50 8.202 7.921 0.281 1
1 351 . 1 1 1 A 50 50 GLY HA2 H 50 4.149 3.821 0.328 1
1 352 . 1 1 1 A 50 50 GLY HA3 H 50 3.626 3.822 -0.196 1
1 353 . 1 1 1 A 50 50 GLY CA C 50 45.402 45.320 0.082 1
1 354 . 1 1 1 A 50 50 GLY N N 50 104.198 105.005 -0.807 1
1 355 . 1 1 1 A 51 51 GLN H H 51 7.799 7.543 0.256 1
1 356 . 1 1 1 A 51 51 GLN HA H 51 4.651 4.662 -0.011 1
1 363 . 1 1 1 A 51 51 GLN CA C 51 53.530 55.087 -1.557 1
1 364 . 1 1 1 A 51 51 GLN CB C 51 31.653 30.026 1.627 1
1 366 . 1 1 1 A 51 51 GLN N N 51 119.235 118.785 0.450 1
1 368 . 1 1 1 A 52 52 THR H H 52 8.491 8.721 -0.230 1
1 369 . 1 1 1 A 52 52 THR HA H 52 4.546 4.725 -0.179 1
1 374 . 1 1 1 A 52 52 THR CA C 52 62.631 60.514 2.117 1
1 375 . 1 1 1 A 52 52 THR CB C 52 69.224 70.794 -1.570 1
1 377 . 1 1 1 A 52 52 THR N N 52 118.279 120.102 -1.823 1
1 378 . 1 1 1 A 53 53 GLY H H 53 8.406 8.075 0.331 1
1 379 . 1 1 1 A 53 53 GLY HA2 H 53 4.588 4.228 0.360 1
1 380 . 1 1 1 A 53 53 GLY HA3 H 53 3.115 4.277 -1.162 1
1 381 . 1 1 1 A 53 53 GLY CA C 53 43.338 45.553 -2.215 1
1 382 . 1 1 1 A 53 53 GLY N N 53 111.718 111.293 0.425 1
1 383 . 1 1 1 A 54 54 TYR H H 54 8.734 8.514 0.220 1
1 384 . 1 1 1 A 54 54 TYR HA H 54 5.667 5.628 0.039 1
1 391 . 1 1 1 A 54 54 TYR CA C 54 56.403 56.421 -0.018 1
1 392 . 1 1 1 A 54 54 TYR CB C 54 41.962 43.310 -1.348 1
1 397 . 1 1 1 A 54 54 TYR N N 54 116.106 118.675 -2.569 1
1 398 . 1 1 1 A 55 55 ILE H H 55 9.160 8.468 0.692 1
1 399 . 1 1 1 A 55 55 ILE HA H 55 5.318 4.596 0.722 1
1 409 . 1 1 1 A 55 55 ILE CA C 55 58.471 59.142 -0.671 1
1 410 . 1 1 1 A 55 55 ILE CB C 55 42.618 41.773 0.845 1
1 414 . 1 1 1 A 55 55 ILE N N 55 115.023 116.899 -1.876 1
1 415 . 1 1 1 A 56 56 GLY H H 56 9.066 8.517 0.549 1
1 416 . 1 1 1 A 56 56 GLY HA2 H 56 3.612 4.086 -0.474 1
1 417 . 1 1 1 A 56 56 GLY HA3 H 56 3.164 4.197 -1.033 1
1 418 . 1 1 1 A 56 56 GLY CA C 56 46.091 45.773 0.318 1
1 419 . 1 1 1 A 56 56 GLY N N 56 111.661 109.444 2.217 1
1 420 . 1 1 1 A 57 57 THR H H 57 8.142 8.737 -0.595 1
1 421 . 1 1 1 A 57 57 THR HA H 57 3.436 4.057 -0.621 1
1 426 . 1 1 1 A 57 57 THR CA C 57 65.333 65.020 0.313 1
1 427 . 1 1 1 A 57 57 THR CB C 57 68.778 68.144 0.634 1
1 429 . 1 1 1 A 57 57 THR N N 57 124.844 119.892 4.952 1
1 430 . 1 1 1 A 58 58 ARG H H 58 8.261 8.000 0.261 1
1 431 . 1 1 1 A 58 58 ARG HA H 58 3.990 4.336 -0.346 1
1 438 . 1 1 1 A 58 58 ARG CA C 58 57.045 59.073 -2.028 1
1 439 . 1 1 1 A 58 58 ARG CB C 58 28.213 30.779 -2.566 1
1 442 . 1 1 1 A 58 58 ARG N N 58 116.486 118.913 -2.427 1
1 443 . 1 1 1 A 59 59 TYR H H 59 7.298 7.566 -0.268 1
1 444 . 1 1 1 A 59 59 TYR HA H 59 4.775 5.390 -0.615 1
1 451 . 1 1 1 A 59 59 TYR CA C 59 53.961 56.610 -2.649 1
1 452 . 1 1 1 A 59 59 TYR CB C 59 38.522 41.087 -2.565 1
1 457 . 1 1 1 A 59 59 TYR N N 59 118.931 115.838 3.093 1
1 458 . 1 1 1 A 60 60 LEU H H 60 7.430 8.840 -1.410 1
1 459 . 1 1 1 A 60 60 LEU HA H 60 5.028 4.832 0.196 1
1 469 . 1 1 1 A 60 60 LEU CA C 60 52.950 53.394 -0.444 1
1 470 . 1 1 1 A 60 60 LEU CB C 60 44.020 46.678 -2.658 1
1 474 . 1 1 1 A 60 60 LEU N N 60 118.281 124.666 -6.385 1
1 475 . 1 1 1 A 61 61 SER H H 61 8.959 8.915 0.044 1
1 476 . 1 1 1 A 61 61 SER HA H 61 4.894 5.450 -0.556 1
1 479 . 1 1 1 A 61 61 SER CA C 61 56.428 56.716 -0.288 1
1 480 . 1 1 1 A 61 61 SER CB C 61 65.345 64.499 0.846 1
1 481 . 1 1 1 A 61 61 SER N N 61 115.830 113.224 2.606 1
1 482 . 1 1 1 A 62 62 LYS H H 62 8.872 8.464 0.408 1
1 483 . 1 1 1 A 62 62 LYS HA H 62 3.960 4.588 -0.628 1
1 492 . 1 1 1 A 62 62 LYS CA C 62 57.079 56.819 0.260 1
1 493 . 1 1 1 A 62 62 LYS CB C 62 33.016 34.899 -1.883 1
1 497 . 1 1 1 A 62 62 LYS N N 62 125.311 120.177 5.134 1
1 498 . 1 1 1 A 63 63 LEU H H 63 7.997 8.162 -0.165 1
1 499 . 1 1 1 A 63 63 LEU HA H 63 4.328 4.505 -0.177 1
1 509 . 1 1 1 A 63 63 LEU CA C 63 54.323 53.728 0.595 1
1 510 . 1 1 1 A 63 63 LEU CB C 63 42.672 41.760 0.912 1
1 514 . 1 1 1 A 63 63 LEU N N 63 121.820 121.308 0.512 1
1 515 . 1 1 1 A 64 64 GLU H H 64 8.274 7.635 0.639 1
1 1 . 2 1 1 A 3 3 GLY H H 3 8.337 7.566 0.771 1
1 2 . 2 1 1 A 3 3 GLY HA2 H 3 4.308 4.117 0.191 1
1 3 . 2 1 1 A 3 3 GLY HA3 H 3 3.880 4.147 -0.267 1
1 4 . 2 1 1 A 3 3 GLY CA C 3 44.714 45.730 -1.016 1
1 5 . 2 1 1 A 4 4 ASP H H 4 8.223 7.705 0.518 1
1 6 . 2 1 1 A 4 4 ASP HA H 4 5.315 4.561 0.754 1
1 9 . 2 1 1 A 4 4 ASP CA C 4 58.458 55.273 3.185 1
1 10 . 2 1 1 A 4 4 ASP CB C 4 41.275 41.363 -0.088 1
1 11 . 2 1 1 A 4 4 ASP N N 4 119.687 120.578 -0.891 1
1 12 . 2 1 1 A 8 8 ASN H H 8 9.232 8.676 0.556 1
1 13 . 2 1 1 A 8 8 ASN HA H 8 5.076 4.593 0.483 1
1 16 . 2 1 1 A 8 8 ASN CA C 8 52.276 55.435 -3.159 1
1 17 . 2 1 1 A 8 8 ASN CB C 8 38.566 37.317 1.249 1
1 18 . 2 1 1 A 8 8 ASN N N 8 129.984 113.920 16.064 1
1 19 . 2 1 1 A 13 13 ASN H H 13 8.616 9.017 -0.401 1
1 20 . 2 1 1 A 13 13 ASN HA H 13 5.024 5.102 -0.078 1
1 25 . 2 1 1 A 13 13 ASN CA C 13 52.945 54.624 -1.679 1
1 26 . 2 1 1 A 13 13 ASN CB C 13 39.596 41.039 -1.443 1
1 27 . 2 1 1 A 13 13 ASN N N 13 122.544 120.124 2.420 1
1 29 . 2 1 1 A 14 14 VAL H H 14 8.619 7.897 0.722 1
1 30 . 2 1 1 A 14 14 VAL HA H 14 4.133 4.230 -0.097 1
1 38 . 2 1 1 A 14 14 VAL CA C 14 61.096 63.502 -2.406 1
1 39 . 2 1 1 A 14 14 VAL CB C 14 32.009 33.586 -1.577 1
1 42 . 2 1 1 A 14 14 VAL N N 14 122.742 116.592 6.150 1
1 43 . 2 1 1 A 15 15 ARG H H 15 9.322 8.114 1.208 1
1 44 . 2 1 1 A 15 15 ARG HA H 15 5.514 4.623 0.891 1
1 51 . 2 1 1 A 15 15 ARG CA C 15 53.646 53.797 -0.151 1
1 52 . 2 1 1 A 15 15 ARG CB C 15 34.426 33.354 1.072 1
1 55 . 2 1 1 A 15 15 ARG N N 15 125.781 119.202 6.579 1
1 56 . 2 1 1 A 16 16 SER H H 16 8.730 8.881 -0.151 1
1 57 . 2 1 1 A 16 16 SER HA H 16 4.470 4.157 0.313 1
1 60 . 2 1 1 A 16 16 SER CA C 16 59.017 58.845 0.172 1
1 61 . 2 1 1 A 16 16 SER CB C 16 19.276 60.858 -41.582 1
1 62 . 2 1 1 A 16 16 SER N N 16 112.631 119.416 -6.785 1
1 63 . 2 1 1 A 18 18 GLU H H 18 6.979 7.583 -0.604 1
1 64 . 2 1 1 A 18 18 GLU HA H 18 4.421 4.627 -0.206 1
1 69 . 2 1 1 A 18 18 GLU N N 18 113.293 118.770 -5.477 1
1 70 . 2 1 1 A 19 19 GLY H H 19 6.314 8.403 -2.089 1
1 71 . 2 1 1 A 19 19 GLY HA2 H 19 4.306 4.050 0.256 1
1 72 . 2 1 1 A 19 19 GLY HA3 H 19 3.916 4.235 -0.319 1
1 73 . 2 1 1 A 19 19 GLY CA C 19 45.334 44.773 0.561 1
1 74 . 2 1 1 A 19 19 GLY N N 19 110.212 114.018 -3.806 1
1 75 . 2 1 1 A 20 20 THR H H 20 8.804 8.188 0.616 1
1 76 . 2 1 1 A 20 20 THR HA H 20 4.078 4.242 -0.164 1
1 81 . 2 1 1 A 20 20 THR CA C 20 63.267 65.569 -2.302 1
1 82 . 2 1 1 A 20 20 THR CB C 20 68.097 69.237 -1.140 1
1 84 . 2 1 1 A 20 20 THR N N 20 110.310 115.964 -5.654 1
1 85 . 2 1 1 A 21 21 ASN H H 21 8.752 7.838 0.914 1
1 86 . 2 1 1 A 21 21 ASN HA H 21 4.580 4.923 -0.343 1
1 91 . 2 1 1 A 21 21 ASN CA C 21 52.935 51.979 0.956 1
1 92 . 2 1 1 A 21 21 ASN CB C 21 36.494 41.209 -4.715 1
1 93 . 2 1 1 A 21 21 ASN N N 21 115.437 117.436 -1.999 1
1 95 . 2 1 1 A 22 22 TYR H H 22 6.870 7.849 -0.979 1
1 96 . 2 1 1 A 22 22 TYR HA H 22 4.277 4.914 -0.637 1
1 103 . 2 1 1 A 22 22 TYR CA C 22 58.483 57.019 1.464 1
1 104 . 2 1 1 A 22 22 TYR CB C 22 39.094 40.286 -1.192 1
1 109 . 2 1 1 A 22 22 TYR N N 22 118.413 122.899 -4.486 1
1 110 . 2 1 1 A 23 23 ARG H H 23 8.107 7.509 0.598 1
1 111 . 2 1 1 A 23 23 ARG HA H 23 4.135 4.490 -0.355 1
1 118 . 2 1 1 A 23 23 ARG CA C 23 56.315 56.416 -0.101 1
1 119 . 2 1 1 A 23 23 ARG CB C 23 30.936 31.248 -0.312 1
1 122 . 2 1 1 A 23 23 ARG N N 23 120.620 119.252 1.368 1
1 123 . 2 1 1 A 24 24 ILE H H 24 8.535 7.377 1.158 1
1 124 . 2 1 1 A 24 24 ILE HA H 24 4.296 3.762 0.534 1
1 134 . 2 1 1 A 24 24 ILE CA C 24 61.695 64.184 -2.489 1
1 135 . 2 1 1 A 24 24 ILE CB C 24 37.876 37.229 0.647 1
1 139 . 2 1 1 A 24 24 ILE N N 24 121.314 117.717 3.597 1
1 140 . 2 1 1 A 25 25 ILE H H 25 8.995 8.102 0.893 1
1 141 . 2 1 1 A 25 25 ILE HA H 25 4.542 4.088 0.454 1
1 151 . 2 1 1 A 25 25 ILE CA C 25 60.963 62.673 -1.710 1
1 152 . 2 1 1 A 25 25 ILE CB C 25 38.523 38.409 0.114 1
1 156 . 2 1 1 A 25 25 ILE N N 25 121.558 119.862 1.696 1
1 157 . 2 1 1 A 26 26 GLY H H 26 7.396 7.476 -0.080 1
1 158 . 2 1 1 A 26 26 GLY HA2 H 26 4.140 4.028 0.112 1
1 159 . 2 1 1 A 26 26 GLY HA3 H 26 4.002 4.031 -0.029 1
1 160 . 2 1 1 A 26 26 GLY CA C 26 44.715 43.994 0.721 1
1 161 . 2 1 1 A 26 26 GLY N N 26 108.443 108.044 0.399 1
1 162 . 2 1 1 A 27 27 ALA H H 27 7.996 8.110 -0.114 1
1 163 . 2 1 1 A 27 27 ALA HA H 27 5.211 4.822 0.389 1
1 167 . 2 1 1 A 27 27 ALA CA C 27 50.903 50.872 0.031 1
1 168 . 2 1 1 A 27 27 ALA CB C 27 21.348 19.710 1.638 1
1 169 . 2 1 1 A 27 27 ALA N N 27 120.625 124.056 -3.431 1
1 170 . 2 1 1 A 29 29 PRO HA H 29 4.952 4.735 0.217 1
1 177 . 2 1 1 A 29 29 PRO CA C 29 50.614 62.177 -11.563 1
1 178 . 2 1 1 A 29 29 PRO CB C 29 26.144 29.275 -3.131 1
1 181 . 2 1 1 A 32 32 GLN H H 32 9.259 9.018 0.241 1
1 182 . 2 1 1 A 32 32 GLN HA H 32 5.443 4.586 0.857 1
1 183 . 2 1 1 A 32 32 GLN CA C 32 55.719 55.047 0.672 1
1 184 . 2 1 1 A 32 32 GLN N N 32 116.392 125.165 -8.773 1
1 185 . 2 1 1 A 34 34 VAL H H 34 8.618 8.149 0.469 1
1 186 . 2 1 1 A 34 34 VAL HA H 34 4.132 4.342 -0.210 1
1 194 . 2 1 1 A 34 34 VAL CA C 34 61.096 63.293 -2.197 1
1 195 . 2 1 1 A 34 34 VAL CB C 34 32.009 34.346 -2.337 1
1 198 . 2 1 1 A 34 34 VAL N N 34 122.742 121.970 0.772 1
1 200 . 2 1 1 A 37 37 ILE H H 37 9.258 7.905 1.353 1
1 201 . 2 1 1 A 37 37 ILE HA H 37 3.892 3.970 -0.078 1
1 211 . 2 1 1 A 37 37 ILE CA C 37 63.577 63.420 0.157 1
1 212 . 2 1 1 A 37 37 ILE CB C 37 39.554 38.532 1.022 1
1 216 . 2 1 1 A 37 37 ILE N N 37 129.778 122.002 7.776 1
1 217 . 2 1 1 A 38 38 SER H H 38 7.438 7.731 -0.293 1
1 218 . 2 1 1 A 38 38 SER HA H 38 4.463 4.730 -0.267 1
1 221 . 2 1 1 A 38 38 SER CA C 38 57.098 57.599 -0.501 1
1 222 . 2 1 1 A 38 38 SER CB C 38 63.350 65.321 -1.971 1
1 223 . 2 1 1 A 38 38 SER N N 38 109.846 111.525 -1.679 1
1 224 . 2 1 1 A 39 39 GLU H H 39 8.698 8.839 -0.141 1
1 225 . 2 1 1 A 39 39 GLU HA H 39 5.181 5.235 -0.054 1
1 230 . 2 1 1 A 39 39 GLU CA C 39 55.046 54.811 0.235 1
1 231 . 2 1 1 A 39 39 GLU CB C 39 32.339 32.544 -0.205 1
1 233 . 2 1 1 A 39 39 GLU N N 39 120.149 121.365 -1.216 1
1 234 . 2 1 1 A 40 40 ASN H H 40 8.802 8.880 -0.078 1
1 235 . 2 1 1 A 40 40 ASN HA H 40 4.774 5.051 -0.277 1
1 240 . 2 1 1 A 40 40 ASN CA C 40 54.054 51.626 2.428 1
1 241 . 2 1 1 A 40 40 ASN CB C 40 41.280 40.745 0.535 1
1 242 . 2 1 1 A 40 40 ASN N N 40 119.687 123.118 -3.431 1
1 244 . 2 1 1 A 41 41 SER H H 41 9.138 8.830 0.308 1
1 245 . 2 1 1 A 41 41 SER HA H 41 4.054 4.120 -0.066 1
1 248 . 2 1 1 A 41 41 SER CA C 41 58.464 60.783 -2.319 1
1 249 . 2 1 1 A 41 41 SER CB C 41 61.911 62.764 -0.853 1
1 250 . 2 1 1 A 41 41 SER N N 41 118.754 117.214 1.540 1
1 251 . 2 1 1 A 42 42 GLY H H 42 8.411 7.921 0.490 1
1 252 . 2 1 1 A 42 42 GLY HA2 H 42 4.080 3.565 0.515 1
1 253 . 2 1 1 A 42 42 GLY HA3 H 42 3.419 3.736 -0.317 1
1 254 . 2 1 1 A 42 42 GLY CA C 42 45.042 46.636 -1.594 1
1 255 . 2 1 1 A 42 42 GLY N N 42 105.488 106.884 -1.396 1
1 256 . 2 1 1 A 43 43 TRP H H 43 8.216 7.949 0.267 1
1 257 . 2 1 1 A 43 43 TRP HA H 43 5.046 5.340 -0.294 1
1 266 . 2 1 1 A 43 43 TRP CA C 43 56.182 56.080 0.102 1
1 267 . 2 1 1 A 43 43 TRP CB C 43 32.162 32.554 -0.392 1
1 273 . 2 1 1 A 43 43 TRP N N 43 122.262 117.852 4.410 1
1 275 . 2 1 1 A 44 44 SER H H 44 10.151 9.578 0.573 1
1 276 . 2 1 1 A 44 44 SER HA H 44 5.028 4.985 0.043 1
1 279 . 2 1 1 A 44 44 SER CA C 44 58.463 57.181 1.282 1
1 280 . 2 1 1 A 44 44 SER CB C 44 64.198 64.285 -0.087 1
1 281 . 2 1 1 A 44 44 SER N N 44 122.494 117.460 5.034 1
1 282 . 2 1 1 A 45 45 LYS H H 45 8.905 8.704 0.201 1
1 283 . 2 1 1 A 45 45 LYS HA H 45 4.474 4.841 -0.367 1
1 292 . 2 1 1 A 45 45 LYS CA C 45 55.039 56.467 -1.428 1
1 293 . 2 1 1 A 45 45 LYS CB C 45 33.755 33.179 0.576 1
1 297 . 2 1 1 A 45 45 LYS N N 45 128.116 128.222 -0.106 1
1 298 . 2 1 1 A 46 46 ILE H H 46 8.912 8.700 0.212 1
1 299 . 2 1 1 A 46 46 ILE HA H 46 4.974 4.945 0.029 1
1 309 . 2 1 1 A 46 46 ILE CA C 46 58.570 58.623 -0.053 1
1 310 . 2 1 1 A 46 46 ILE CB C 46 42.651 42.367 0.284 1
1 314 . 2 1 1 A 46 46 ILE N N 46 119.419 120.882 -1.463 1
1 315 . 2 1 1 A 47 47 ASN H H 47 8.855 8.904 -0.049 1
1 316 . 2 1 1 A 47 47 ASN HA H 47 5.016 5.581 -0.565 1
1 321 . 2 1 1 A 47 47 ASN CA C 47 52.281 51.931 0.350 1
1 322 . 2 1 1 A 47 47 ASN CB C 47 39.208 41.368 -2.160 1
1 323 . 2 1 1 A 47 47 ASN N N 47 119.209 120.020 -0.811 1
1 325 . 2 1 1 A 48 48 TYR H H 48 9.147 8.940 0.207 1
1 326 . 2 1 1 A 48 48 TYR HA H 48 4.647 4.766 -0.119 1
1 333 . 2 1 1 A 48 48 TYR CA C 48 56.347 56.792 -0.445 1
1 334 . 2 1 1 A 48 48 TYR CB C 48 39.210 37.656 1.554 1
1 339 . 2 1 1 A 48 48 TYR N N 48 126.582 124.410 2.172 1
1 340 . 2 1 1 A 49 49 ASN H H 49 8.807 9.384 -0.577 1
1 341 . 2 1 1 A 49 49 ASN HA H 49 4.110 4.411 -0.301 1
1 346 . 2 1 1 A 49 49 ASN CA C 49 53.309 54.420 -1.111 1
1 347 . 2 1 1 A 49 49 ASN CB C 49 37.118 37.328 -0.210 1
1 348 . 2 1 1 A 49 49 ASN N N 49 125.133 125.049 0.084 1
1 350 . 2 1 1 A 50 50 GLY H H 50 8.202 8.332 -0.130 1
1 351 . 2 1 1 A 50 50 GLY HA2 H 50 4.149 3.822 0.327 1
1 352 . 2 1 1 A 50 50 GLY HA3 H 50 3.626 3.826 -0.200 1
1 353 . 2 1 1 A 50 50 GLY CA C 50 45.402 45.312 0.090 1
1 354 . 2 1 1 A 50 50 GLY N N 50 104.198 103.525 0.673 1
1 355 . 2 1 1 A 51 51 GLN H H 51 7.799 7.772 0.027 1
1 356 . 2 1 1 A 51 51 GLN HA H 51 4.651 4.703 -0.052 1
1 363 . 2 1 1 A 51 51 GLN CA C 51 53.530 54.870 -1.340 1
1 364 . 2 1 1 A 51 51 GLN CB C 51 31.653 30.311 1.342 1
1 366 . 2 1 1 A 51 51 GLN N N 51 119.235 117.348 1.887 1
1 368 . 2 1 1 A 52 52 THR H H 52 8.491 8.543 -0.052 1
1 369 . 2 1 1 A 52 52 THR HA H 52 4.546 4.589 -0.043 1
1 374 . 2 1 1 A 52 52 THR CA C 52 62.631 62.319 0.312 1
1 375 . 2 1 1 A 52 52 THR CB C 52 69.224 69.329 -0.105 1
1 377 . 2 1 1 A 52 52 THR N N 52 118.279 119.880 -1.601 1
1 378 . 2 1 1 A 53 53 GLY H H 53 8.406 8.700 -0.294 1
1 379 . 2 1 1 A 53 53 GLY HA2 H 53 4.588 4.215 0.373 1
1 380 . 2 1 1 A 53 53 GLY HA3 H 53 3.115 4.270 -1.155 1
1 381 . 2 1 1 A 53 53 GLY CA C 53 43.338 43.842 -0.504 1
1 382 . 2 1 1 A 53 53 GLY N N 53 111.718 113.296 -1.578 1
1 383 . 2 1 1 A 54 54 TYR H H 54 8.734 8.647 0.087 1
1 384 . 2 1 1 A 54 54 TYR HA H 54 5.667 5.430 0.237 1
1 391 . 2 1 1 A 54 54 TYR CA C 54 56.403 56.372 0.031 1
1 392 . 2 1 1 A 54 54 TYR CB C 54 41.962 43.127 -1.165 1
1 397 . 2 1 1 A 54 54 TYR N N 54 116.106 119.733 -3.627 1
1 398 . 2 1 1 A 55 55 ILE H H 55 9.160 8.535 0.625 1
1 399 . 2 1 1 A 55 55 ILE HA H 55 5.318 4.667 0.651 1
1 409 . 2 1 1 A 55 55 ILE CA C 55 58.471 59.348 -0.877 1
1 410 . 2 1 1 A 55 55 ILE CB C 55 42.618 41.826 0.792 1
1 414 . 2 1 1 A 55 55 ILE N N 55 115.023 117.199 -2.176 1
1 415 . 2 1 1 A 56 56 GLY H H 56 9.066 8.688 0.378 1
1 416 . 2 1 1 A 56 56 GLY HA2 H 56 3.612 4.209 -0.597 1
1 417 . 2 1 1 A 56 56 GLY HA3 H 56 3.164 4.365 -1.201 1
1 418 . 2 1 1 A 56 56 GLY CA C 56 46.091 46.051 0.040 1
1 419 . 2 1 1 A 56 56 GLY N N 56 111.661 109.865 1.796 1
1 420 . 2 1 1 A 57 57 THR H H 57 8.142 9.108 -0.966 1
1 421 . 2 1 1 A 57 57 THR HA H 57 3.436 4.160 -0.724 1
1 426 . 2 1 1 A 57 57 THR CA C 57 65.333 65.029 0.304 1
1 427 . 2 1 1 A 57 57 THR CB C 57 68.778 68.717 0.061 1
1 429 . 2 1 1 A 57 57 THR N N 57 124.844 119.204 5.640 1
1 430 . 2 1 1 A 58 58 ARG H H 58 8.261 8.069 0.192 1
1 431 . 2 1 1 A 58 58 ARG HA H 58 3.990 4.176 -0.186 1
1 438 . 2 1 1 A 58 58 ARG CA C 58 57.045 59.147 -2.102 1
1 439 . 2 1 1 A 58 58 ARG CB C 58 28.213 30.541 -2.328 1
1 442 . 2 1 1 A 58 58 ARG N N 58 116.486 120.326 -3.840 1
1 443 . 2 1 1 A 59 59 TYR H H 59 7.298 7.937 -0.639 1
1 444 . 2 1 1 A 59 59 TYR HA H 59 4.775 5.354 -0.579 1
1 451 . 2 1 1 A 59 59 TYR CA C 59 53.961 56.659 -2.698 1
1 452 . 2 1 1 A 59 59 TYR CB C 59 38.522 40.118 -1.596 1
1 457 . 2 1 1 A 59 59 TYR N N 59 118.931 116.269 2.662 1
1 458 . 2 1 1 A 60 60 LEU H H 60 7.430 8.869 -1.439 1
1 459 . 2 1 1 A 60 60 LEU HA H 60 5.028 4.816 0.212 1
1 469 . 2 1 1 A 60 60 LEU CA C 60 52.950 53.668 -0.718 1
1 470 . 2 1 1 A 60 60 LEU CB C 60 44.020 46.652 -2.632 1
1 474 . 2 1 1 A 60 60 LEU N N 60 118.281 125.073 -6.792 1
1 475 . 2 1 1 A 61 61 SER H H 61 8.959 8.602 0.357 1
1 476 . 2 1 1 A 61 61 SER HA H 61 4.894 5.062 -0.168 1
1 479 . 2 1 1 A 61 61 SER CA C 61 56.428 57.893 -1.465 1
1 480 . 2 1 1 A 61 61 SER CB C 61 65.345 63.878 1.467 1
1 481 . 2 1 1 A 61 61 SER N N 61 115.830 119.417 -3.587 1
1 482 . 2 1 1 A 62 62 LYS H H 62 8.872 8.855 0.017 1
1 483 . 2 1 1 A 62 62 LYS HA H 62 3.960 4.680 -0.720 1
1 492 . 2 1 1 A 62 62 LYS CA C 62 57.079 55.235 1.844 1
1 493 . 2 1 1 A 62 62 LYS CB C 62 33.016 34.586 -1.570 1
1 497 . 2 1 1 A 62 62 LYS N N 62 125.311 128.471 -3.160 1
1 498 . 2 1 1 A 63 63 LEU H H 63 7.997 8.551 -0.554 1
1 499 . 2 1 1 A 63 63 LEU HA H 63 4.328 4.587 -0.259 1
1 509 . 2 1 1 A 63 63 LEU CA C 63 54.323 54.500 -0.177 1
1 510 . 2 1 1 A 63 63 LEU CB C 63 42.672 42.438 0.234 1
1 514 . 2 1 1 A 63 63 LEU N N 63 121.820 125.776 -3.956 1
1 515 . 2 1 1 A 64 64 GLU H H 64 8.274 7.813 0.461 1
1 1 . 3 1 1 A 3 3 GLY H H 3 8.337 8.049 0.288 1
1 2 . 3 1 1 A 3 3 GLY HA2 H 3 4.308 4.140 0.168 1
1 3 . 3 1 1 A 3 3 GLY HA3 H 3 3.880 4.142 -0.262 1
1 4 . 3 1 1 A 3 3 GLY CA C 3 44.714 45.696 -0.982 1
1 5 . 3 1 1 A 4 4 ASP H H 4 8.223 8.006 0.217 1
1 6 . 3 1 1 A 4 4 ASP HA H 4 5.315 4.854 0.461 1
1 9 . 3 1 1 A 4 4 ASP CA C 4 58.458 53.249 5.209 1
1 10 . 3 1 1 A 4 4 ASP CB C 4 41.275 41.100 0.175 1
1 11 . 3 1 1 A 4 4 ASP N N 4 119.687 120.275 -0.588 1
1 12 . 3 1 1 A 8 8 ASN H H 8 9.232 8.096 1.136 1
1 13 . 3 1 1 A 8 8 ASN HA H 8 5.076 4.467 0.609 1
1 16 . 3 1 1 A 8 8 ASN CA C 8 52.276 52.389 -0.113 1
1 17 . 3 1 1 A 8 8 ASN CB C 8 38.566 37.027 1.539 1
1 18 . 3 1 1 A 8 8 ASN N N 8 129.984 116.708 13.276 1
1 19 . 3 1 1 A 13 13 ASN H H 13 8.616 8.414 0.202 1
1 20 . 3 1 1 A 13 13 ASN HA H 13 5.024 4.601 0.423 1
1 25 . 3 1 1 A 13 13 ASN CA C 13 52.945 55.900 -2.955 1
1 26 . 3 1 1 A 13 13 ASN CB C 13 39.596 38.691 0.905 1
1 27 . 3 1 1 A 13 13 ASN N N 13 122.544 118.751 3.793 1
1 29 . 3 1 1 A 14 14 VAL H H 14 8.619 7.350 1.269 1
1 30 . 3 1 1 A 14 14 VAL HA H 14 4.133 4.257 -0.124 1
1 38 . 3 1 1 A 14 14 VAL CA C 14 61.096 60.979 0.117 1
1 39 . 3 1 1 A 14 14 VAL CB C 14 32.009 31.351 0.658 1
1 42 . 3 1 1 A 14 14 VAL N N 14 122.742 109.429 13.313 1
1 43 . 3 1 1 A 15 15 ARG H H 15 9.322 7.636 1.686 1
1 44 . 3 1 1 A 15 15 ARG HA H 15 5.514 4.332 1.182 1
1 51 . 3 1 1 A 15 15 ARG CA C 15 53.646 54.798 -1.152 1
1 52 . 3 1 1 A 15 15 ARG CB C 15 34.426 28.811 5.615 1
1 55 . 3 1 1 A 15 15 ARG N N 15 125.781 124.726 1.055 1
1 56 . 3 1 1 A 16 16 SER H H 16 8.730 8.588 0.142 1
1 57 . 3 1 1 A 16 16 SER HA H 16 4.470 4.237 0.233 1
1 60 . 3 1 1 A 16 16 SER CA C 16 59.017 59.123 -0.106 1
1 61 . 3 1 1 A 16 16 SER CB C 16 19.276 62.213 -42.937 1
1 62 . 3 1 1 A 16 16 SER N N 16 112.631 117.060 -4.429 1
1 63 . 3 1 1 A 18 18 GLU H H 18 6.979 8.691 -1.712 1
1 64 . 3 1 1 A 18 18 GLU HA H 18 4.421 4.611 -0.190 1
1 69 . 3 1 1 A 18 18 GLU N N 18 113.293 122.102 -8.809 1
1 70 . 3 1 1 A 19 19 GLY H H 19 6.314 8.748 -2.434 1
1 71 . 3 1 1 A 19 19 GLY HA2 H 19 4.306 3.510 0.796 1
1 72 . 3 1 1 A 19 19 GLY HA3 H 19 3.916 3.781 0.135 1
1 73 . 3 1 1 A 19 19 GLY CA C 19 45.334 47.312 -1.978 1
1 74 . 3 1 1 A 19 19 GLY N N 19 110.212 109.634 0.578 1
1 75 . 3 1 1 A 20 20 THR H H 20 8.804 8.548 0.256 1
1 76 . 3 1 1 A 20 20 THR HA H 20 4.078 4.351 -0.273 1
1 81 . 3 1 1 A 20 20 THR CA C 20 63.267 64.040 -0.773 1
1 82 . 3 1 1 A 20 20 THR CB C 20 68.097 70.680 -2.583 1
1 84 . 3 1 1 A 20 20 THR N N 20 110.310 115.456 -5.146 1
1 85 . 3 1 1 A 21 21 ASN H H 21 8.752 7.682 1.070 1
1 86 . 3 1 1 A 21 21 ASN HA H 21 4.580 4.489 0.091 1
1 91 . 3 1 1 A 21 21 ASN CA C 21 52.935 52.740 0.195 1
1 92 . 3 1 1 A 21 21 ASN CB C 21 36.494 41.848 -5.354 1
1 93 . 3 1 1 A 21 21 ASN N N 21 115.437 117.557 -2.120 1
1 95 . 3 1 1 A 22 22 TYR H H 22 6.870 8.390 -1.520 1
1 96 . 3 1 1 A 22 22 TYR HA H 22 4.277 4.790 -0.513 1
1 103 . 3 1 1 A 22 22 TYR CA C 22 58.483 57.783 0.700 1
1 104 . 3 1 1 A 22 22 TYR CB C 22 39.094 38.904 0.190 1
1 109 . 3 1 1 A 22 22 TYR N N 22 118.413 123.010 -4.597 1
1 110 . 3 1 1 A 23 23 ARG H H 23 8.107 8.205 -0.098 1
1 111 . 3 1 1 A 23 23 ARG HA H 23 4.135 4.547 -0.412 1
1 118 . 3 1 1 A 23 23 ARG CA C 23 56.315 57.290 -0.975 1
1 119 . 3 1 1 A 23 23 ARG CB C 23 30.936 32.088 -1.152 1
1 122 . 3 1 1 A 23 23 ARG N N 23 120.620 120.704 -0.084 1
1 123 . 3 1 1 A 24 24 ILE H H 24 8.535 7.708 0.827 1
1 124 . 3 1 1 A 24 24 ILE HA H 24 4.296 3.772 0.524 1
1 134 . 3 1 1 A 24 24 ILE CA C 24 61.695 65.069 -3.374 1
1 135 . 3 1 1 A 24 24 ILE CB C 24 37.876 38.174 -0.298 1
1 139 . 3 1 1 A 24 24 ILE N N 24 121.314 118.972 2.342 1
1 140 . 3 1 1 A 25 25 ILE H H 25 8.995 7.638 1.357 1
1 141 . 3 1 1 A 25 25 ILE HA H 25 4.542 4.380 0.162 1
1 151 . 3 1 1 A 25 25 ILE CA C 25 60.963 59.088 1.875 1
1 152 . 3 1 1 A 25 25 ILE CB C 25 38.523 41.449 -2.926 1
1 156 . 3 1 1 A 25 25 ILE N N 25 121.558 119.192 2.366 1
1 157 . 3 1 1 A 26 26 GLY H H 26 7.396 8.063 -0.667 1
1 158 . 3 1 1 A 26 26 GLY HA2 H 26 4.140 4.053 0.087 1
1 159 . 3 1 1 A 26 26 GLY HA3 H 26 4.002 4.083 -0.081 1
1 160 . 3 1 1 A 26 26 GLY CA C 26 44.715 45.394 -0.679 1
1 161 . 3 1 1 A 26 26 GLY N N 26 108.443 111.589 -3.146 1
1 162 . 3 1 1 A 27 27 ALA H H 27 7.996 8.615 -0.619 1
1 163 . 3 1 1 A 27 27 ALA HA H 27 5.211 4.781 0.430 1
1 167 . 3 1 1 A 27 27 ALA CA C 27 50.903 51.744 -0.841 1
1 168 . 3 1 1 A 27 27 ALA CB C 27 21.348 19.919 1.429 1
1 169 . 3 1 1 A 27 27 ALA N N 27 120.625 124.757 -4.132 1
1 170 . 3 1 1 A 29 29 PRO HA H 29 4.952 4.751 0.201 1
1 177 . 3 1 1 A 29 29 PRO CA C 29 50.614 62.287 -11.673 1
1 178 . 3 1 1 A 29 29 PRO CB C 29 26.144 29.805 -3.661 1
1 181 . 3 1 1 A 32 32 GLN H H 32 9.259 8.199 1.060 1
1 182 . 3 1 1 A 32 32 GLN HA H 32 5.443 4.211 1.232 1
1 183 . 3 1 1 A 32 32 GLN CA C 32 55.719 58.641 -2.922 1
1 184 . 3 1 1 A 32 32 GLN N N 32 116.392 119.570 -3.178 1
1 185 . 3 1 1 A 34 34 VAL H H 34 8.618 7.527 1.091 1
1 186 . 3 1 1 A 34 34 VAL HA H 34 4.132 4.915 -0.783 1
1 194 . 3 1 1 A 34 34 VAL CA C 34 61.096 62.172 -1.076 1
1 195 . 3 1 1 A 34 34 VAL CB C 34 32.009 30.759 1.250 1
1 198 . 3 1 1 A 34 34 VAL N N 34 122.742 120.539 2.203 1
1 200 . 3 1 1 A 37 37 ILE H H 37 9.258 9.180 0.078 1
1 201 . 3 1 1 A 37 37 ILE HA H 37 3.892 4.125 -0.233 1
1 211 . 3 1 1 A 37 37 ILE CA C 37 63.577 62.637 0.940 1
1 212 . 3 1 1 A 37 37 ILE CB C 37 39.554 38.523 1.031 1
1 216 . 3 1 1 A 37 37 ILE N N 37 129.778 126.803 2.975 1
1 217 . 3 1 1 A 38 38 SER H H 38 7.438 7.003 0.435 1
1 218 . 3 1 1 A 38 38 SER HA H 38 4.463 4.572 -0.109 1
1 221 . 3 1 1 A 38 38 SER CA C 38 57.098 57.612 -0.514 1
1 222 . 3 1 1 A 38 38 SER CB C 38 63.350 65.105 -1.755 1
1 223 . 3 1 1 A 38 38 SER N N 38 109.846 110.216 -0.370 1
1 224 . 3 1 1 A 39 39 GLU H H 39 8.698 8.915 -0.217 1
1 225 . 3 1 1 A 39 39 GLU HA H 39 5.181 5.407 -0.226 1
1 230 . 3 1 1 A 39 39 GLU CA C 39 55.046 54.414 0.632 1
1 231 . 3 1 1 A 39 39 GLU CB C 39 32.339 34.025 -1.686 1
1 233 . 3 1 1 A 39 39 GLU N N 39 120.149 120.531 -0.382 1
1 234 . 3 1 1 A 40 40 ASN H H 40 8.802 9.505 -0.703 1
1 235 . 3 1 1 A 40 40 ASN HA H 40 4.774 4.993 -0.219 1
1 240 . 3 1 1 A 40 40 ASN CA C 40 54.054 53.219 0.835 1
1 241 . 3 1 1 A 40 40 ASN CB C 40 41.280 41.110 0.170 1
1 242 . 3 1 1 A 40 40 ASN N N 40 119.687 119.770 -0.083 1
1 244 . 3 1 1 A 41 41 SER H H 41 9.138 9.362 -0.224 1
1 245 . 3 1 1 A 41 41 SER HA H 41 4.054 4.142 -0.088 1
1 248 . 3 1 1 A 41 41 SER CA C 41 58.464 59.361 -0.897 1
1 249 . 3 1 1 A 41 41 SER CB C 41 61.911 62.470 -0.559 1
1 250 . 3 1 1 A 41 41 SER N N 41 118.754 121.696 -2.942 1
1 251 . 3 1 1 A 42 42 GLY H H 42 8.411 8.536 -0.125 1
1 252 . 3 1 1 A 42 42 GLY HA2 H 42 4.080 4.099 -0.019 1
1 253 . 3 1 1 A 42 42 GLY HA3 H 42 3.419 4.114 -0.695 1
1 254 . 3 1 1 A 42 42 GLY CA C 42 45.042 45.252 -0.210 1
1 255 . 3 1 1 A 42 42 GLY N N 42 105.488 106.418 -0.930 1
1 256 . 3 1 1 A 43 43 TRP H H 43 8.216 7.731 0.485 1
1 257 . 3 1 1 A 43 43 TRP HA H 43 5.046 5.154 -0.108 1
1 266 . 3 1 1 A 43 43 TRP CA C 43 56.182 57.500 -1.318 1
1 267 . 3 1 1 A 43 43 TRP CB C 43 32.162 31.187 0.975 1
1 273 . 3 1 1 A 43 43 TRP N N 43 122.262 121.695 0.567 1
1 275 . 3 1 1 A 44 44 SER H H 44 10.151 9.340 0.811 1
1 276 . 3 1 1 A 44 44 SER HA H 44 5.028 5.312 -0.284 1
1 279 . 3 1 1 A 44 44 SER CA C 44 58.463 56.303 2.160 1
1 280 . 3 1 1 A 44 44 SER CB C 44 64.198 65.116 -0.918 1
1 281 . 3 1 1 A 44 44 SER N N 44 122.494 117.146 5.348 1
1 282 . 3 1 1 A 45 45 LYS H H 45 8.905 8.920 -0.015 1
1 283 . 3 1 1 A 45 45 LYS HA H 45 4.474 4.390 0.084 1
1 292 . 3 1 1 A 45 45 LYS CA C 45 55.039 56.184 -1.145 1
1 293 . 3 1 1 A 45 45 LYS CB C 45 33.755 32.770 0.985 1
1 297 . 3 1 1 A 45 45 LYS N N 45 128.116 125.295 2.821 1
1 298 . 3 1 1 A 46 46 ILE H H 46 8.912 8.401 0.511 1
1 299 . 3 1 1 A 46 46 ILE HA H 46 4.974 5.152 -0.178 1
1 309 . 3 1 1 A 46 46 ILE CA C 46 58.570 58.559 0.011 1
1 310 . 3 1 1 A 46 46 ILE CB C 46 42.651 42.090 0.561 1
1 314 . 3 1 1 A 46 46 ILE N N 46 119.419 118.594 0.825 1
1 315 . 3 1 1 A 47 47 ASN H H 47 8.855 8.772 0.083 1
1 316 . 3 1 1 A 47 47 ASN HA H 47 5.016 5.048 -0.032 1
1 321 . 3 1 1 A 47 47 ASN CA C 47 52.281 51.380 0.901 1
1 322 . 3 1 1 A 47 47 ASN CB C 47 39.208 39.227 -0.019 1
1 323 . 3 1 1 A 47 47 ASN N N 47 119.209 121.634 -2.425 1
1 325 . 3 1 1 A 48 48 TYR H H 48 9.147 9.459 -0.312 1
1 326 . 3 1 1 A 48 48 TYR HA H 48 4.647 4.835 -0.188 1
1 333 . 3 1 1 A 48 48 TYR CA C 48 56.347 57.267 -0.920 1
1 334 . 3 1 1 A 48 48 TYR CB C 48 39.210 40.457 -1.247 1
1 339 . 3 1 1 A 48 48 TYR N N 48 126.582 128.567 -1.985 1
1 340 . 3 1 1 A 49 49 ASN H H 49 8.807 9.083 -0.276 1
1 341 . 3 1 1 A 49 49 ASN HA H 49 4.110 4.238 -0.128 1
1 346 . 3 1 1 A 49 49 ASN CA C 49 53.309 53.852 -0.543 1
1 347 . 3 1 1 A 49 49 ASN CB C 49 37.118 37.243 -0.125 1
1 348 . 3 1 1 A 49 49 ASN N N 49 125.133 125.897 -0.764 1
1 350 . 3 1 1 A 50 50 GLY H H 50 8.202 8.443 -0.241 1
1 351 . 3 1 1 A 50 50 GLY HA2 H 50 4.149 3.799 0.350 1
1 352 . 3 1 1 A 50 50 GLY HA3 H 50 3.626 3.803 -0.177 1
1 353 . 3 1 1 A 50 50 GLY CA C 50 45.402 45.451 -0.049 1
1 354 . 3 1 1 A 50 50 GLY N N 50 104.198 104.351 -0.153 1
1 355 . 3 1 1 A 51 51 GLN H H 51 7.799 7.645 0.154 1
1 356 . 3 1 1 A 51 51 GLN HA H 51 4.651 4.898 -0.247 1
1 363 . 3 1 1 A 51 51 GLN CA C 51 53.530 53.864 -0.334 1
1 364 . 3 1 1 A 51 51 GLN CB C 51 31.653 32.169 -0.516 1
1 366 . 3 1 1 A 51 51 GLN N N 51 119.235 115.396 3.839 1
1 368 . 3 1 1 A 52 52 THR H H 52 8.491 8.533 -0.042 1
1 369 . 3 1 1 A 52 52 THR HA H 52 4.546 4.797 -0.251 1
1 374 . 3 1 1 A 52 52 THR CA C 52 62.631 60.260 2.371 1
1 375 . 3 1 1 A 52 52 THR CB C 52 69.224 70.514 -1.290 1
1 377 . 3 1 1 A 52 52 THR N N 52 118.279 117.913 0.366 1
1 378 . 3 1 1 A 53 53 GLY H H 53 8.406 7.830 0.576 1
1 379 . 3 1 1 A 53 53 GLY HA2 H 53 4.588 4.224 0.364 1
1 380 . 3 1 1 A 53 53 GLY HA3 H 53 3.115 4.229 -1.114 1
1 381 . 3 1 1 A 53 53 GLY CA C 53 43.338 45.994 -2.656 1
1 382 . 3 1 1 A 53 53 GLY N N 53 111.718 112.159 -0.441 1
1 383 . 3 1 1 A 54 54 TYR H H 54 8.734 8.564 0.170 1
1 384 . 3 1 1 A 54 54 TYR HA H 54 5.667 5.784 -0.117 1
1 391 . 3 1 1 A 54 54 TYR CA C 54 56.403 56.347 0.056 1
1 392 . 3 1 1 A 54 54 TYR CB C 54 41.962 42.896 -0.934 1
1 397 . 3 1 1 A 54 54 TYR N N 54 116.106 118.610 -2.504 1
1 398 . 3 1 1 A 55 55 ILE H H 55 9.160 8.417 0.743 1
1 399 . 3 1 1 A 55 55 ILE HA H 55 5.318 4.723 0.595 1
1 409 . 3 1 1 A 55 55 ILE CA C 55 58.471 59.380 -0.909 1
1 410 . 3 1 1 A 55 55 ILE CB C 55 42.618 42.212 0.406 1
1 414 . 3 1 1 A 55 55 ILE N N 55 115.023 116.348 -1.325 1
1 415 . 3 1 1 A 56 56 GLY H H 56 9.066 8.730 0.336 1
1 416 . 3 1 1 A 56 56 GLY HA2 H 56 3.612 4.141 -0.529 1
1 417 . 3 1 1 A 56 56 GLY HA3 H 56 3.164 4.196 -1.032 1
1 418 . 3 1 1 A 56 56 GLY CA C 56 46.091 45.716 0.375 1
1 419 . 3 1 1 A 56 56 GLY N N 56 111.661 109.637 2.024 1
1 420 . 3 1 1 A 57 57 THR H H 57 8.142 8.516 -0.374 1
1 421 . 3 1 1 A 57 57 THR HA H 57 3.436 4.024 -0.588 1
1 426 . 3 1 1 A 57 57 THR CA C 57 65.333 66.184 -0.851 1
1 427 . 3 1 1 A 57 57 THR CB C 57 68.778 68.716 0.062 1
1 429 . 3 1 1 A 57 57 THR N N 57 124.844 121.252 3.592 1
1 430 . 3 1 1 A 58 58 ARG H H 58 8.261 8.023 0.238 1
1 431 . 3 1 1 A 58 58 ARG HA H 58 3.990 4.136 -0.146 1
1 438 . 3 1 1 A 58 58 ARG CA C 58 57.045 59.349 -2.304 1
1 439 . 3 1 1 A 58 58 ARG CB C 58 28.213 30.735 -2.522 1
1 442 . 3 1 1 A 58 58 ARG N N 58 116.486 118.905 -2.419 1
1 443 . 3 1 1 A 59 59 TYR H H 59 7.298 7.927 -0.629 1
1 444 . 3 1 1 A 59 59 TYR HA H 59 4.775 5.441 -0.666 1
1 451 . 3 1 1 A 59 59 TYR CA C 59 53.961 56.825 -2.864 1
1 452 . 3 1 1 A 59 59 TYR CB C 59 38.522 40.909 -2.387 1
1 457 . 3 1 1 A 59 59 TYR N N 59 118.931 115.706 3.225 1
1 458 . 3 1 1 A 60 60 LEU H H 60 7.430 8.968 -1.538 1
1 459 . 3 1 1 A 60 60 LEU HA H 60 5.028 4.888 0.140 1
1 469 . 3 1 1 A 60 60 LEU CA C 60 52.950 53.605 -0.655 1
1 470 . 3 1 1 A 60 60 LEU CB C 60 44.020 46.864 -2.844 1
1 474 . 3 1 1 A 60 60 LEU N N 60 118.281 124.891 -6.610 1
1 475 . 3 1 1 A 61 61 SER H H 61 8.959 8.645 0.314 1
1 476 . 3 1 1 A 61 61 SER HA H 61 4.894 5.124 -0.230 1
1 479 . 3 1 1 A 61 61 SER CA C 61 56.428 57.752 -1.324 1
1 480 . 3 1 1 A 61 61 SER CB C 61 65.345 64.245 1.100 1
1 481 . 3 1 1 A 61 61 SER N N 61 115.830 118.977 -3.147 1
1 482 . 3 1 1 A 62 62 LYS H H 62 8.872 8.841 0.031 1
1 483 . 3 1 1 A 62 62 LYS HA H 62 3.960 4.602 -0.642 1
1 492 . 3 1 1 A 62 62 LYS CA C 62 57.079 54.767 2.312 1
1 493 . 3 1 1 A 62 62 LYS CB C 62 33.016 34.750 -1.734 1
1 497 . 3 1 1 A 62 62 LYS N N 62 125.311 128.229 -2.918 1
1 498 . 3 1 1 A 63 63 LEU H H 63 7.997 8.470 -0.473 1
1 499 . 3 1 1 A 63 63 LEU HA H 63 4.328 4.511 -0.183 1
1 509 . 3 1 1 A 63 63 LEU CA C 63 54.323 55.395 -1.072 1
1 510 . 3 1 1 A 63 63 LEU CB C 63 42.672 41.585 1.087 1
1 514 . 3 1 1 A 63 63 LEU N N 63 121.820 122.948 -1.128 1
1 515 . 3 1 1 A 64 64 GLU H H 64 8.274 8.260 0.014 1
1 1 . 4 1 1 A 3 3 GLY H H 3 8.337 8.693 -0.356 1
1 2 . 4 1 1 A 3 3 GLY HA2 H 3 4.308 3.954 0.354 1
1 3 . 4 1 1 A 3 3 GLY HA3 H 3 3.880 3.996 -0.116 1
1 4 . 4 1 1 A 3 3 GLY CA C 3 44.714 44.838 -0.124 1
1 5 . 4 1 1 A 4 4 ASP H H 4 8.223 8.090 0.133 1
1 6 . 4 1 1 A 4 4 ASP HA H 4 5.315 4.660 0.655 1
1 9 . 4 1 1 A 4 4 ASP CA C 4 58.458 56.478 1.980 1
1 10 . 4 1 1 A 4 4 ASP CB C 4 41.275 39.745 1.530 1
1 11 . 4 1 1 A 4 4 ASP N N 4 119.687 118.622 1.065 1
1 12 . 4 1 1 A 8 8 ASN H H 8 9.232 8.863 0.369 1
1 13 . 4 1 1 A 8 8 ASN HA H 8 5.076 4.242 0.834 1
1 16 . 4 1 1 A 8 8 ASN CA C 8 52.276 53.829 -1.553 1
1 17 . 4 1 1 A 8 8 ASN CB C 8 38.566 37.260 1.306 1
1 18 . 4 1 1 A 8 8 ASN N N 8 129.984 120.459 9.525 1
1 19 . 4 1 1 A 13 13 ASN H H 13 8.616 8.087 0.529 1
1 20 . 4 1 1 A 13 13 ASN HA H 13 5.024 4.578 0.446 1
1 25 . 4 1 1 A 13 13 ASN CA C 13 52.945 56.465 -3.520 1
1 26 . 4 1 1 A 13 13 ASN CB C 13 39.596 38.728 0.868 1
1 27 . 4 1 1 A 13 13 ASN N N 13 122.544 116.973 5.571 1
1 29 . 4 1 1 A 14 14 VAL H H 14 8.619 7.360 1.259 1
1 30 . 4 1 1 A 14 14 VAL HA H 14 4.133 4.461 -0.328 1
1 38 . 4 1 1 A 14 14 VAL CA C 14 61.096 60.343 0.753 1
1 39 . 4 1 1 A 14 14 VAL CB C 14 32.009 31.571 0.438 1
1 42 . 4 1 1 A 14 14 VAL N N 14 122.742 108.990 13.752 1
1 43 . 4 1 1 A 15 15 ARG H H 15 9.322 7.533 1.789 1
1 44 . 4 1 1 A 15 15 ARG HA H 15 5.514 4.448 1.066 1
1 51 . 4 1 1 A 15 15 ARG CA C 15 53.646 55.470 -1.824 1
1 52 . 4 1 1 A 15 15 ARG CB C 15 34.426 30.171 4.255 1
1 55 . 4 1 1 A 15 15 ARG N N 15 125.781 123.848 1.933 1
1 56 . 4 1 1 A 16 16 SER H H 16 8.730 8.094 0.636 1
1 57 . 4 1 1 A 16 16 SER HA H 16 4.470 4.095 0.375 1
1 60 . 4 1 1 A 16 16 SER CA C 16 59.017 58.961 0.056 1
1 61 . 4 1 1 A 16 16 SER CB C 16 19.276 62.037 -42.761 1
1 62 . 4 1 1 A 16 16 SER N N 16 112.631 115.360 -2.729 1
1 63 . 4 1 1 A 18 18 GLU H H 18 6.979 8.880 -1.901 1
1 64 . 4 1 1 A 18 18 GLU HA H 18 4.421 4.402 0.019 1
1 69 . 4 1 1 A 18 18 GLU N N 18 113.293 126.357 -13.064 1
1 70 . 4 1 1 A 19 19 GLY H H 19 6.314 7.853 -1.539 1
1 71 . 4 1 1 A 19 19 GLY HA2 H 19 4.306 3.944 0.362 1
1 72 . 4 1 1 A 19 19 GLY HA3 H 19 3.916 3.959 -0.043 1
1 73 . 4 1 1 A 19 19 GLY CA C 19 45.334 45.725 -0.391 1
1 74 . 4 1 1 A 19 19 GLY N N 19 110.212 108.054 2.158 1
1 75 . 4 1 1 A 20 20 THR H H 20 8.804 8.158 0.646 1
1 76 . 4 1 1 A 20 20 THR HA H 20 4.078 4.121 -0.043 1
1 81 . 4 1 1 A 20 20 THR CA C 20 63.267 65.699 -2.432 1
1 82 . 4 1 1 A 20 20 THR CB C 20 68.097 68.893 -0.796 1
1 84 . 4 1 1 A 20 20 THR N N 20 110.310 113.670 -3.360 1
1 85 . 4 1 1 A 21 21 ASN H H 21 8.752 7.971 0.781 1
1 86 . 4 1 1 A 21 21 ASN HA H 21 4.580 4.779 -0.199 1
1 91 . 4 1 1 A 21 21 ASN CA C 21 52.935 51.822 1.113 1
1 92 . 4 1 1 A 21 21 ASN CB C 21 36.494 38.624 -2.130 1
1 93 . 4 1 1 A 21 21 ASN N N 21 115.437 118.046 -2.609 1
1 95 . 4 1 1 A 22 22 TYR H H 22 6.870 7.898 -1.028 1
1 96 . 4 1 1 A 22 22 TYR HA H 22 4.277 4.552 -0.275 1
1 103 . 4 1 1 A 22 22 TYR CA C 22 58.483 57.931 0.552 1
1 104 . 4 1 1 A 22 22 TYR CB C 22 39.094 38.815 0.279 1
1 109 . 4 1 1 A 22 22 TYR N N 22 118.413 124.150 -5.737 1
1 110 . 4 1 1 A 23 23 ARG H H 23 8.107 7.360 0.747 1
1 111 . 4 1 1 A 23 23 ARG HA H 23 4.135 4.326 -0.191 1
1 118 . 4 1 1 A 23 23 ARG CA C 23 56.315 57.297 -0.982 1
1 119 . 4 1 1 A 23 23 ARG CB C 23 30.936 30.820 0.116 1
1 122 . 4 1 1 A 23 23 ARG N N 23 120.620 120.048 0.572 1
1 123 . 4 1 1 A 24 24 ILE H H 24 8.535 7.326 1.209 1
1 124 . 4 1 1 A 24 24 ILE HA H 24 4.296 3.980 0.316 1
1 134 . 4 1 1 A 24 24 ILE CA C 24 61.695 64.162 -2.467 1
1 135 . 4 1 1 A 24 24 ILE CB C 24 37.876 38.805 -0.929 1
1 139 . 4 1 1 A 24 24 ILE N N 24 121.314 119.477 1.837 1
1 140 . 4 1 1 A 25 25 ILE H H 25 8.995 7.493 1.502 1
1 141 . 4 1 1 A 25 25 ILE HA H 25 4.542 4.351 0.191 1
1 151 . 4 1 1 A 25 25 ILE CA C 25 60.963 59.219 1.744 1
1 152 . 4 1 1 A 25 25 ILE CB C 25 38.523 41.356 -2.833 1
1 156 . 4 1 1 A 25 25 ILE N N 25 121.558 120.694 0.864 1
1 157 . 4 1 1 A 26 26 GLY H H 26 7.396 8.310 -0.914 1
1 158 . 4 1 1 A 26 26 GLY HA2 H 26 4.140 4.286 -0.146 1
1 159 . 4 1 1 A 26 26 GLY HA3 H 26 4.002 4.321 -0.319 1
1 160 . 4 1 1 A 26 26 GLY CA C 26 44.715 44.980 -0.265 1
1 161 . 4 1 1 A 26 26 GLY N N 26 108.443 112.864 -4.421 1
1 162 . 4 1 1 A 27 27 ALA H H 27 7.996 8.309 -0.313 1
1 163 . 4 1 1 A 27 27 ALA HA H 27 5.211 4.481 0.730 1
1 167 . 4 1 1 A 27 27 ALA CA C 27 50.903 51.918 -1.015 1
1 168 . 4 1 1 A 27 27 ALA CB C 27 21.348 18.913 2.435 1
1 169 . 4 1 1 A 27 27 ALA N N 27 120.625 122.788 -2.163 1
1 170 . 4 1 1 A 29 29 PRO HA H 29 4.952 4.702 0.250 1
1 177 . 4 1 1 A 29 29 PRO CA C 29 50.614 62.320 -11.706 1
1 178 . 4 1 1 A 29 29 PRO CB C 29 26.144 29.894 -3.750 1
1 181 . 4 1 1 A 32 32 GLN H H 32 9.259 7.806 1.453 1
1 182 . 4 1 1 A 32 32 GLN HA H 32 5.443 4.411 1.032 1
1 183 . 4 1 1 A 32 32 GLN CA C 32 55.719 56.159 -0.440 1
1 184 . 4 1 1 A 32 32 GLN N N 32 116.392 121.188 -4.796 1
1 185 . 4 1 1 A 34 34 VAL H H 34 8.618 7.681 0.937 1
1 186 . 4 1 1 A 34 34 VAL HA H 34 4.132 4.268 -0.136 1
1 194 . 4 1 1 A 34 34 VAL CA C 34 61.096 62.675 -1.579 1
1 195 . 4 1 1 A 34 34 VAL CB C 34 32.009 34.813 -2.804 1
1 198 . 4 1 1 A 34 34 VAL N N 34 122.742 113.940 8.802 1
1 200 . 4 1 1 A 37 37 ILE H H 37 9.258 8.692 0.566 1
1 201 . 4 1 1 A 37 37 ILE HA H 37 3.892 4.042 -0.150 1
1 211 . 4 1 1 A 37 37 ILE CA C 37 63.577 63.174 0.403 1
1 212 . 4 1 1 A 37 37 ILE CB C 37 39.554 38.417 1.137 1
1 216 . 4 1 1 A 37 37 ILE N N 37 129.778 129.970 -0.192 1
1 217 . 4 1 1 A 38 38 SER H H 38 7.438 7.383 0.055 1
1 218 . 4 1 1 A 38 38 SER HA H 38 4.463 4.931 -0.468 1
1 221 . 4 1 1 A 38 38 SER CA C 38 57.098 57.718 -0.620 1
1 222 . 4 1 1 A 38 38 SER CB C 38 63.350 67.182 -3.832 1
1 223 . 4 1 1 A 38 38 SER N N 38 109.846 113.919 -4.073 1
1 224 . 4 1 1 A 39 39 GLU H H 39 8.698 8.927 -0.229 1
1 225 . 4 1 1 A 39 39 GLU HA H 39 5.181 5.270 -0.089 1
1 230 . 4 1 1 A 39 39 GLU CA C 39 55.046 54.934 0.112 1
1 231 . 4 1 1 A 39 39 GLU CB C 39 32.339 32.053 0.286 1
1 233 . 4 1 1 A 39 39 GLU N N 39 120.149 123.298 -3.149 1
1 234 . 4 1 1 A 40 40 ASN H H 40 8.802 8.597 0.205 1
1 235 . 4 1 1 A 40 40 ASN HA H 40 4.774 5.063 -0.289 1
1 240 . 4 1 1 A 40 40 ASN CA C 40 54.054 52.977 1.077 1
1 241 . 4 1 1 A 40 40 ASN CB C 40 41.280 41.435 -0.155 1
1 242 . 4 1 1 A 40 40 ASN N N 40 119.687 122.685 -2.998 1
1 244 . 4 1 1 A 41 41 SER H H 41 9.138 9.226 -0.088 1
1 245 . 4 1 1 A 41 41 SER HA H 41 4.054 4.415 -0.361 1
1 248 . 4 1 1 A 41 41 SER CA C 41 58.464 59.896 -1.432 1
1 249 . 4 1 1 A 41 41 SER CB C 41 61.911 63.032 -1.121 1
1 250 . 4 1 1 A 41 41 SER N N 41 118.754 121.600 -2.846 1
1 251 . 4 1 1 A 42 42 GLY H H 42 8.411 8.354 0.057 1
1 252 . 4 1 1 A 42 42 GLY HA2 H 42 4.080 3.960 0.120 1
1 253 . 4 1 1 A 42 42 GLY HA3 H 42 3.419 4.047 -0.628 1
1 254 . 4 1 1 A 42 42 GLY CA C 42 45.042 45.699 -0.657 1
1 255 . 4 1 1 A 42 42 GLY N N 42 105.488 107.036 -1.548 1
1 256 . 4 1 1 A 43 43 TRP H H 43 8.216 7.900 0.316 1
1 257 . 4 1 1 A 43 43 TRP HA H 43 5.046 4.804 0.242 1
1 266 . 4 1 1 A 43 43 TRP CA C 43 56.182 57.418 -1.236 1
1 267 . 4 1 1 A 43 43 TRP CB C 43 32.162 30.567 1.595 1
1 273 . 4 1 1 A 43 43 TRP N N 43 122.262 121.435 0.827 1
1 275 . 4 1 1 A 44 44 SER H H 44 10.151 9.648 0.503 1
1 276 . 4 1 1 A 44 44 SER HA H 44 5.028 4.993 0.035 1
1 279 . 4 1 1 A 44 44 SER CA C 44 58.463 58.478 -0.015 1
1 280 . 4 1 1 A 44 44 SER CB C 44 64.198 64.306 -0.108 1
1 281 . 4 1 1 A 44 44 SER N N 44 122.494 118.496 3.998 1
1 282 . 4 1 1 A 45 45 LYS H H 45 8.905 8.920 -0.015 1
1 283 . 4 1 1 A 45 45 LYS HA H 45 4.474 4.749 -0.275 1
1 292 . 4 1 1 A 45 45 LYS CA C 45 55.039 54.748 0.291 1
1 293 . 4 1 1 A 45 45 LYS CB C 45 33.755 34.691 -0.936 1
1 297 . 4 1 1 A 45 45 LYS N N 45 128.116 125.873 2.243 1
1 298 . 4 1 1 A 46 46 ILE H H 46 8.912 8.703 0.209 1
1 299 . 4 1 1 A 46 46 ILE HA H 46 4.974 4.825 0.149 1
1 309 . 4 1 1 A 46 46 ILE CA C 46 58.570 58.337 0.233 1
1 310 . 4 1 1 A 46 46 ILE CB C 46 42.651 42.469 0.182 1
1 314 . 4 1 1 A 46 46 ILE N N 46 119.419 120.488 -1.069 1
1 315 . 4 1 1 A 47 47 ASN H H 47 8.855 8.942 -0.087 1
1 316 . 4 1 1 A 47 47 ASN HA H 47 5.016 5.191 -0.175 1
1 321 . 4 1 1 A 47 47 ASN CA C 47 52.281 51.402 0.879 1
1 322 . 4 1 1 A 47 47 ASN CB C 47 39.208 40.415 -1.207 1
1 323 . 4 1 1 A 47 47 ASN N N 47 119.209 120.968 -1.759 1
1 325 . 4 1 1 A 48 48 TYR H H 48 9.147 9.498 -0.351 1
1 326 . 4 1 1 A 48 48 TYR HA H 48 4.647 4.860 -0.213 1
1 333 . 4 1 1 A 48 48 TYR CA C 48 56.347 57.519 -1.172 1
1 334 . 4 1 1 A 48 48 TYR CB C 48 39.210 40.780 -1.570 1
1 339 . 4 1 1 A 48 48 TYR N N 48 126.582 128.363 -1.781 1
1 340 . 4 1 1 A 49 49 ASN H H 49 8.807 9.145 -0.338 1
1 341 . 4 1 1 A 49 49 ASN HA H 49 4.110 4.286 -0.176 1
1 346 . 4 1 1 A 49 49 ASN CA C 49 53.309 53.970 -0.661 1
1 347 . 4 1 1 A 49 49 ASN CB C 49 37.118 37.477 -0.359 1
1 348 . 4 1 1 A 49 49 ASN N N 49 125.133 126.033 -0.900 1
1 350 . 4 1 1 A 50 50 GLY H H 50 8.202 8.027 0.175 1
1 351 . 4 1 1 A 50 50 GLY HA2 H 50 4.149 3.819 0.330 1
1 352 . 4 1 1 A 50 50 GLY HA3 H 50 3.626 3.822 -0.196 1
1 353 . 4 1 1 A 50 50 GLY CA C 50 45.402 45.346 0.056 1
1 354 . 4 1 1 A 50 50 GLY N N 50 104.198 104.542 -0.344 1
1 355 . 4 1 1 A 51 51 GLN H H 51 7.799 7.432 0.367 1
1 356 . 4 1 1 A 51 51 GLN HA H 51 4.651 4.854 -0.203 1
1 363 . 4 1 1 A 51 51 GLN CA C 51 53.530 54.318 -0.788 1
1 364 . 4 1 1 A 51 51 GLN CB C 51 31.653 31.160 0.493 1
1 366 . 4 1 1 A 51 51 GLN N N 51 119.235 116.845 2.390 1
1 368 . 4 1 1 A 52 52 THR H H 52 8.491 8.646 -0.155 1
1 369 . 4 1 1 A 52 52 THR HA H 52 4.546 4.373 0.173 1
1 374 . 4 1 1 A 52 52 THR CA C 52 62.631 63.253 -0.622 1
1 375 . 4 1 1 A 52 52 THR CB C 52 69.224 68.526 0.698 1
1 377 . 4 1 1 A 52 52 THR N N 52 118.279 118.990 -0.711 1
1 378 . 4 1 1 A 53 53 GLY H H 53 8.406 8.907 -0.501 1
1 379 . 4 1 1 A 53 53 GLY HA2 H 53 4.588 4.310 0.278 1
1 380 . 4 1 1 A 53 53 GLY HA3 H 53 3.115 4.367 -1.252 1
1 381 . 4 1 1 A 53 53 GLY CA C 53 43.338 44.020 -0.682 1
1 382 . 4 1 1 A 53 53 GLY N N 53 111.718 113.756 -2.038 1
1 383 . 4 1 1 A 54 54 TYR H H 54 8.734 8.585 0.149 1
1 384 . 4 1 1 A 54 54 TYR HA H 54 5.667 5.749 -0.082 1
1 391 . 4 1 1 A 54 54 TYR CA C 54 56.403 56.330 0.073 1
1 392 . 4 1 1 A 54 54 TYR CB C 54 41.962 43.114 -1.152 1
1 397 . 4 1 1 A 54 54 TYR N N 54 116.106 118.974 -2.868 1
1 398 . 4 1 1 A 55 55 ILE H H 55 9.160 8.831 0.329 1
1 399 . 4 1 1 A 55 55 ILE HA H 55 5.318 4.471 0.847 1
1 409 . 4 1 1 A 55 55 ILE CA C 55 58.471 59.052 -0.581 1
1 410 . 4 1 1 A 55 55 ILE CB C 55 42.618 41.766 0.852 1
1 414 . 4 1 1 A 55 55 ILE N N 55 115.023 116.917 -1.894 1
1 415 . 4 1 1 A 56 56 GLY H H 56 9.066 8.431 0.635 1
1 416 . 4 1 1 A 56 56 GLY HA2 H 56 3.612 4.074 -0.462 1
1 417 . 4 1 1 A 56 56 GLY HA3 H 56 3.164 4.136 -0.972 1
1 418 . 4 1 1 A 56 56 GLY CA C 56 46.091 45.816 0.275 1
1 419 . 4 1 1 A 56 56 GLY N N 56 111.661 109.439 2.222 1
1 420 . 4 1 1 A 57 57 THR H H 57 8.142 8.920 -0.778 1
1 421 . 4 1 1 A 57 57 THR HA H 57 3.436 4.225 -0.789 1
1 426 . 4 1 1 A 57 57 THR CA C 57 65.333 64.912 0.421 1
1 427 . 4 1 1 A 57 57 THR CB C 57 68.778 68.697 0.081 1
1 429 . 4 1 1 A 57 57 THR N N 57 124.844 119.059 5.785 1
1 430 . 4 1 1 A 58 58 ARG H H 58 8.261 8.363 -0.102 1
1 431 . 4 1 1 A 58 58 ARG HA H 58 3.990 4.316 -0.326 1
1 438 . 4 1 1 A 58 58 ARG CA C 58 57.045 57.430 -0.385 1
1 439 . 4 1 1 A 58 58 ARG CB C 58 28.213 30.308 -2.095 1
1 442 . 4 1 1 A 58 58 ARG N N 58 116.486 118.336 -1.850 1
1 443 . 4 1 1 A 59 59 TYR H H 59 7.298 7.782 -0.484 1
1 444 . 4 1 1 A 59 59 TYR HA H 59 4.775 5.430 -0.655 1
1 451 . 4 1 1 A 59 59 TYR CA C 59 53.961 56.703 -2.742 1
1 452 . 4 1 1 A 59 59 TYR CB C 59 38.522 41.017 -2.495 1
1 457 . 4 1 1 A 59 59 TYR N N 59 118.931 118.493 0.438 1
1 458 . 4 1 1 A 60 60 LEU H H 60 7.430 9.022 -1.592 1
1 459 . 4 1 1 A 60 60 LEU HA H 60 5.028 5.186 -0.158 1
1 469 . 4 1 1 A 60 60 LEU CA C 60 52.950 53.469 -0.519 1
1 470 . 4 1 1 A 60 60 LEU CB C 60 44.020 46.719 -2.699 1
1 474 . 4 1 1 A 60 60 LEU N N 60 118.281 125.246 -6.965 1
1 475 . 4 1 1 A 61 61 SER H H 61 8.959 8.872 0.087 1
1 476 . 4 1 1 A 61 61 SER HA H 61 4.894 5.119 -0.225 1
1 479 . 4 1 1 A 61 61 SER CA C 61 56.428 56.591 -0.163 1
1 480 . 4 1 1 A 61 61 SER CB C 61 65.345 64.691 0.654 1
1 481 . 4 1 1 A 61 61 SER N N 61 115.830 116.770 -0.940 1
1 482 . 4 1 1 A 62 62 LYS H H 62 8.872 8.862 0.010 1
1 483 . 4 1 1 A 62 62 LYS HA H 62 3.960 4.450 -0.490 1
1 492 . 4 1 1 A 62 62 LYS CA C 62 57.079 55.951 1.128 1
1 493 . 4 1 1 A 62 62 LYS CB C 62 33.016 33.284 -0.268 1
1 497 . 4 1 1 A 62 62 LYS N N 62 125.311 126.533 -1.222 1
1 498 . 4 1 1 A 63 63 LEU H H 63 7.997 8.538 -0.541 1
1 499 . 4 1 1 A 63 63 LEU HA H 63 4.328 4.623 -0.295 1
1 509 . 4 1 1 A 63 63 LEU CA C 63 54.323 54.116 0.207 1
1 510 . 4 1 1 A 63 63 LEU CB C 63 42.672 42.491 0.181 1
1 514 . 4 1 1 A 63 63 LEU N N 63 121.820 118.330 3.490 1
1 515 . 4 1 1 A 64 64 GLU H H 64 8.274 8.132 0.142 1
1 1 . 5 1 1 A 3 3 GLY H H 3 8.337 8.462 -0.125 1
1 2 . 5 1 1 A 3 3 GLY HA2 H 3 4.308 4.205 0.103 1
1 3 . 5 1 1 A 3 3 GLY HA3 H 3 3.880 4.212 -0.332 1
1 4 . 5 1 1 A 3 3 GLY CA C 3 44.714 45.229 -0.515 1
1 5 . 5 1 1 A 4 4 ASP H H 4 8.223 8.647 -0.424 1
1 6 . 5 1 1 A 4 4 ASP HA H 4 5.315 4.747 0.568 1
1 9 . 5 1 1 A 4 4 ASP CA C 4 58.458 55.242 3.216 1
1 10 . 5 1 1 A 4 4 ASP CB C 4 41.275 43.890 -2.615 1
1 11 . 5 1 1 A 4 4 ASP N N 4 119.687 123.724 -4.037 1
1 12 . 5 1 1 A 8 8 ASN H H 8 9.232 8.998 0.234 1
1 13 . 5 1 1 A 8 8 ASN HA H 8 5.076 4.171 0.905 1
1 16 . 5 1 1 A 8 8 ASN CA C 8 52.276 55.494 -3.218 1
1 17 . 5 1 1 A 8 8 ASN CB C 8 38.566 36.289 2.277 1
1 18 . 5 1 1 A 8 8 ASN N N 8 129.984 123.605 6.379 1
1 19 . 5 1 1 A 13 13 ASN H H 13 8.616 8.033 0.583 1
1 20 . 5 1 1 A 13 13 ASN HA H 13 5.024 4.491 0.533 1
1 25 . 5 1 1 A 13 13 ASN CA C 13 52.945 56.491 -3.546 1
1 26 . 5 1 1 A 13 13 ASN CB C 13 39.596 38.519 1.077 1
1 27 . 5 1 1 A 13 13 ASN N N 13 122.544 116.371 6.173 1
1 29 . 5 1 1 A 14 14 VAL H H 14 8.619 7.875 0.744 1
1 30 . 5 1 1 A 14 14 VAL HA H 14 4.133 4.380 -0.247 1
1 38 . 5 1 1 A 14 14 VAL CA C 14 61.096 61.684 -0.588 1
1 39 . 5 1 1 A 14 14 VAL CB C 14 32.009 32.966 -0.957 1
1 42 . 5 1 1 A 14 14 VAL N N 14 122.742 113.875 8.867 1
1 43 . 5 1 1 A 15 15 ARG H H 15 9.322 7.323 1.999 1
1 44 . 5 1 1 A 15 15 ARG HA H 15 5.514 4.196 1.318 1
1 51 . 5 1 1 A 15 15 ARG CA C 15 53.646 55.613 -1.967 1
1 52 . 5 1 1 A 15 15 ARG CB C 15 34.426 31.021 3.405 1
1 55 . 5 1 1 A 15 15 ARG N N 15 125.781 122.337 3.444 1
1 56 . 5 1 1 A 16 16 SER H H 16 8.730 8.673 0.057 1
1 57 . 5 1 1 A 16 16 SER HA H 16 4.470 4.436 0.034 1
1 60 . 5 1 1 A 16 16 SER CA C 16 59.017 59.285 -0.268 1
1 61 . 5 1 1 A 16 16 SER CB C 16 19.276 61.551 -42.275 1
1 62 . 5 1 1 A 16 16 SER N N 16 112.631 112.778 -0.147 1
1 63 . 5 1 1 A 18 18 GLU H H 18 6.979 7.211 -0.232 1
1 64 . 5 1 1 A 18 18 GLU HA H 18 4.421 4.346 0.075 1
1 69 . 5 1 1 A 18 18 GLU N N 18 113.293 119.067 -5.774 1
1 70 . 5 1 1 A 19 19 GLY H H 19 6.314 8.104 -1.790 1
1 71 . 5 1 1 A 19 19 GLY HA2 H 19 4.306 2.968 1.338 1
1 72 . 5 1 1 A 19 19 GLY HA3 H 19 3.916 3.228 0.688 1
1 73 . 5 1 1 A 19 19 GLY CA C 19 45.334 45.593 -0.259 1
1 74 . 5 1 1 A 19 19 GLY N N 19 110.212 108.174 2.038 1
1 75 . 5 1 1 A 20 20 THR H H 20 8.804 8.575 0.229 1
1 76 . 5 1 1 A 20 20 THR HA H 20 4.078 4.117 -0.039 1
1 81 . 5 1 1 A 20 20 THR CA C 20 63.267 63.908 -0.641 1
1 82 . 5 1 1 A 20 20 THR CB C 20 68.097 69.498 -1.401 1
1 84 . 5 1 1 A 20 20 THR N N 20 110.310 114.486 -4.176 1
1 85 . 5 1 1 A 21 21 ASN H H 21 8.752 7.762 0.990 1
1 86 . 5 1 1 A 21 21 ASN HA H 21 4.580 4.543 0.037 1
1 91 . 5 1 1 A 21 21 ASN CA C 21 52.935 51.629 1.306 1
1 92 . 5 1 1 A 21 21 ASN CB C 21 36.494 39.263 -2.769 1
1 93 . 5 1 1 A 21 21 ASN N N 21 115.437 120.444 -5.007 1
1 95 . 5 1 1 A 22 22 TYR H H 22 6.870 8.461 -1.591 1
1 96 . 5 1 1 A 22 22 TYR HA H 22 4.277 4.365 -0.088 1
1 103 . 5 1 1 A 22 22 TYR CA C 22 58.483 60.340 -1.857 1
1 104 . 5 1 1 A 22 22 TYR CB C 22 39.094 39.395 -0.301 1
1 109 . 5 1 1 A 22 22 TYR N N 22 118.413 124.750 -6.337 1
1 110 . 5 1 1 A 23 23 ARG H H 23 8.107 7.524 0.583 1
1 111 . 5 1 1 A 23 23 ARG HA H 23 4.135 4.278 -0.143 1
1 118 . 5 1 1 A 23 23 ARG CA C 23 56.315 58.140 -1.825 1
1 119 . 5 1 1 A 23 23 ARG CB C 23 30.936 29.823 1.113 1
1 122 . 5 1 1 A 23 23 ARG N N 23 120.620 119.881 0.739 1
1 123 . 5 1 1 A 24 24 ILE H H 24 8.535 7.681 0.854 1
1 124 . 5 1 1 A 24 24 ILE HA H 24 4.296 3.948 0.348 1
1 134 . 5 1 1 A 24 24 ILE CA C 24 61.695 63.016 -1.321 1
1 135 . 5 1 1 A 24 24 ILE CB C 24 37.876 38.730 -0.854 1
1 139 . 5 1 1 A 24 24 ILE N N 24 121.314 119.209 2.105 1
1 140 . 5 1 1 A 25 25 ILE H H 25 8.995 7.014 1.981 1
1 141 . 5 1 1 A 25 25 ILE HA H 25 4.542 4.354 0.188 1
1 151 . 5 1 1 A 25 25 ILE CA C 25 60.963 59.137 1.826 1
1 152 . 5 1 1 A 25 25 ILE CB C 25 38.523 40.454 -1.931 1
1 156 . 5 1 1 A 25 25 ILE N N 25 121.558 119.526 2.032 1
1 157 . 5 1 1 A 26 26 GLY H H 26 7.396 8.338 -0.942 1
1 158 . 5 1 1 A 26 26 GLY HA2 H 26 4.140 4.126 0.014 1
1 159 . 5 1 1 A 26 26 GLY HA3 H 26 4.002 4.197 -0.195 1
1 160 . 5 1 1 A 26 26 GLY CA C 26 44.715 44.423 0.292 1
1 161 . 5 1 1 A 26 26 GLY N N 26 108.443 111.913 -3.470 1
1 162 . 5 1 1 A 27 27 ALA H H 27 7.996 8.686 -0.690 1
1 163 . 5 1 1 A 27 27 ALA HA H 27 5.211 5.062 0.149 1
1 167 . 5 1 1 A 27 27 ALA CA C 27 50.903 51.712 -0.809 1
1 168 . 5 1 1 A 27 27 ALA CB C 27 21.348 20.256 1.092 1
1 169 . 5 1 1 A 27 27 ALA N N 27 120.625 124.232 -3.607 1
1 170 . 5 1 1 A 29 29 PRO HA H 29 4.952 4.889 0.063 1
1 177 . 5 1 1 A 29 29 PRO CA C 29 50.614 62.636 -12.022 1
1 178 . 5 1 1 A 29 29 PRO CB C 29 26.144 29.645 -3.501 1
1 181 . 5 1 1 A 32 32 GLN H H 32 9.259 7.449 1.810 1
1 182 . 5 1 1 A 32 32 GLN HA H 32 5.443 4.615 0.828 1
1 183 . 5 1 1 A 32 32 GLN CA C 32 55.719 54.969 0.750 1
1 184 . 5 1 1 A 32 32 GLN N N 32 116.392 119.233 -2.841 1
1 185 . 5 1 1 A 34 34 VAL H H 34 8.618 7.394 1.224 1
1 186 . 5 1 1 A 34 34 VAL HA H 34 4.132 4.444 -0.312 1
1 194 . 5 1 1 A 34 34 VAL CA C 34 61.096 62.369 -1.273 1
1 195 . 5 1 1 A 34 34 VAL CB C 34 32.009 30.481 1.528 1
1 198 . 5 1 1 A 34 34 VAL N N 34 122.742 121.847 0.895 1
1 200 . 5 1 1 A 37 37 ILE H H 37 9.258 8.574 0.684 1
1 201 . 5 1 1 A 37 37 ILE HA H 37 3.892 4.045 -0.153 1
1 211 . 5 1 1 A 37 37 ILE CA C 37 63.577 63.227 0.350 1
1 212 . 5 1 1 A 37 37 ILE CB C 37 39.554 38.623 0.931 1
1 216 . 5 1 1 A 37 37 ILE N N 37 129.778 131.304 -1.526 1
1 217 . 5 1 1 A 38 38 SER H H 38 7.438 7.864 -0.426 1
1 218 . 5 1 1 A 38 38 SER HA H 38 4.463 4.772 -0.309 1
1 221 . 5 1 1 A 38 38 SER CA C 38 57.098 57.235 -0.137 1
1 222 . 5 1 1 A 38 38 SER CB C 38 63.350 65.630 -2.280 1
1 223 . 5 1 1 A 38 38 SER N N 38 109.846 112.585 -2.739 1
1 224 . 5 1 1 A 39 39 GLU H H 39 8.698 8.831 -0.133 1
1 225 . 5 1 1 A 39 39 GLU HA H 39 5.181 5.304 -0.123 1
1 230 . 5 1 1 A 39 39 GLU CA C 39 55.046 54.010 1.036 1
1 231 . 5 1 1 A 39 39 GLU CB C 39 32.339 34.040 -1.701 1
1 233 . 5 1 1 A 39 39 GLU N N 39 120.149 122.073 -1.924 1
1 234 . 5 1 1 A 40 40 ASN H H 40 8.802 8.463 0.339 1
1 235 . 5 1 1 A 40 40 ASN HA H 40 4.774 5.258 -0.484 1
1 240 . 5 1 1 A 40 40 ASN CA C 40 54.054 51.354 2.700 1
1 241 . 5 1 1 A 40 40 ASN CB C 40 41.280 42.776 -1.496 1
1 242 . 5 1 1 A 40 40 ASN N N 40 119.687 119.278 0.409 1
1 244 . 5 1 1 A 41 41 SER H H 41 9.138 8.697 0.441 1
1 245 . 5 1 1 A 41 41 SER HA H 41 4.054 4.555 -0.501 1
1 248 . 5 1 1 A 41 41 SER CA C 41 58.464 57.950 0.514 1
1 249 . 5 1 1 A 41 41 SER CB C 41 61.911 62.228 -0.317 1
1 250 . 5 1 1 A 41 41 SER N N 41 118.754 116.339 2.415 1
1 251 . 5 1 1 A 42 42 GLY H H 42 8.411 8.346 0.065 1
1 252 . 5 1 1 A 42 42 GLY HA2 H 42 4.080 4.044 0.036 1
1 253 . 5 1 1 A 42 42 GLY HA3 H 42 3.419 4.118 -0.699 1
1 254 . 5 1 1 A 42 42 GLY CA C 42 45.042 45.702 -0.660 1
1 255 . 5 1 1 A 42 42 GLY N N 42 105.488 111.719 -6.231 1
1 256 . 5 1 1 A 43 43 TRP H H 43 8.216 8.295 -0.079 1
1 257 . 5 1 1 A 43 43 TRP HA H 43 5.046 5.852 -0.806 1
1 266 . 5 1 1 A 43 43 TRP CA C 43 56.182 56.281 -0.099 1
1 267 . 5 1 1 A 43 43 TRP CB C 43 32.162 32.489 -0.327 1
1 273 . 5 1 1 A 43 43 TRP N N 43 122.262 121.153 1.109 1
1 275 . 5 1 1 A 44 44 SER H H 44 10.151 9.477 0.674 1
1 276 . 5 1 1 A 44 44 SER HA H 44 5.028 5.052 -0.024 1
1 279 . 5 1 1 A 44 44 SER CA C 44 58.463 57.646 0.817 1
1 280 . 5 1 1 A 44 44 SER CB C 44 64.198 65.276 -1.078 1
1 281 . 5 1 1 A 44 44 SER N N 44 122.494 117.983 4.511 1
1 282 . 5 1 1 A 45 45 LYS H H 45 8.905 8.541 0.364 1
1 283 . 5 1 1 A 45 45 LYS HA H 45 4.474 4.800 -0.326 1
1 292 . 5 1 1 A 45 45 LYS CA C 45 55.039 56.435 -1.396 1
1 293 . 5 1 1 A 45 45 LYS CB C 45 33.755 33.313 0.442 1
1 297 . 5 1 1 A 45 45 LYS N N 45 128.116 126.779 1.337 1
1 298 . 5 1 1 A 46 46 ILE H H 46 8.912 8.713 0.199 1
1 299 . 5 1 1 A 46 46 ILE HA H 46 4.974 5.162 -0.188 1
1 309 . 5 1 1 A 46 46 ILE CA C 46 58.570 58.334 0.236 1
1 310 . 5 1 1 A 46 46 ILE CB C 46 42.651 42.292 0.359 1
1 314 . 5 1 1 A 46 46 ILE N N 46 119.419 120.954 -1.535 1
1 315 . 5 1 1 A 47 47 ASN H H 47 8.855 8.609 0.246 1
1 316 . 5 1 1 A 47 47 ASN HA H 47 5.016 5.295 -0.279 1
1 321 . 5 1 1 A 47 47 ASN CA C 47 52.281 51.846 0.435 1
1 322 . 5 1 1 A 47 47 ASN CB C 47 39.208 41.325 -2.117 1
1 323 . 5 1 1 A 47 47 ASN N N 47 119.209 120.442 -1.233 1
1 325 . 5 1 1 A 48 48 TYR H H 48 9.147 9.005 0.142 1
1 326 . 5 1 1 A 48 48 TYR HA H 48 4.647 4.855 -0.208 1
1 333 . 5 1 1 A 48 48 TYR CA C 48 56.347 56.671 -0.324 1
1 334 . 5 1 1 A 48 48 TYR CB C 48 39.210 38.892 0.318 1
1 339 . 5 1 1 A 48 48 TYR N N 48 126.582 128.227 -1.645 1
1 340 . 5 1 1 A 49 49 ASN H H 49 8.807 9.304 -0.497 1
1 341 . 5 1 1 A 49 49 ASN HA H 49 4.110 4.362 -0.252 1
1 346 . 5 1 1 A 49 49 ASN CA C 49 53.309 54.289 -0.980 1
1 347 . 5 1 1 A 49 49 ASN CB C 49 37.118 37.228 -0.110 1
1 348 . 5 1 1 A 49 49 ASN N N 49 125.133 126.071 -0.938 1
1 350 . 5 1 1 A 50 50 GLY H H 50 8.202 8.332 -0.130 1
1 351 . 5 1 1 A 50 50 GLY HA2 H 50 4.149 3.815 0.334 1
1 352 . 5 1 1 A 50 50 GLY HA3 H 50 3.626 3.818 -0.192 1
1 353 . 5 1 1 A 50 50 GLY CA C 50 45.402 45.303 0.099 1
1 354 . 5 1 1 A 50 50 GLY N N 50 104.198 103.417 0.781 1
1 355 . 5 1 1 A 51 51 GLN H H 51 7.799 7.517 0.282 1
1 356 . 5 1 1 A 51 51 GLN HA H 51 4.651 4.605 0.046 1
1 363 . 5 1 1 A 51 51 GLN CA C 51 53.530 55.032 -1.502 1
1 364 . 5 1 1 A 51 51 GLN CB C 51 31.653 30.237 1.416 1
1 366 . 5 1 1 A 51 51 GLN N N 51 119.235 118.915 0.320 1
1 368 . 5 1 1 A 52 52 THR H H 52 8.491 8.528 -0.037 1
1 369 . 5 1 1 A 52 52 THR HA H 52 4.546 4.647 -0.101 1
1 374 . 5 1 1 A 52 52 THR CA C 52 62.631 60.450 2.181 1
1 375 . 5 1 1 A 52 52 THR CB C 52 69.224 70.182 -0.958 1
1 377 . 5 1 1 A 52 52 THR N N 52 118.279 118.745 -0.466 1
1 378 . 5 1 1 A 53 53 GLY H H 53 8.406 8.213 0.193 1
1 379 . 5 1 1 A 53 53 GLY HA2 H 53 4.588 4.094 0.494 1
1 380 . 5 1 1 A 53 53 GLY HA3 H 53 3.115 4.154 -1.039 1
1 381 . 5 1 1 A 53 53 GLY CA C 53 43.338 45.037 -1.699 1
1 382 . 5 1 1 A 53 53 GLY N N 53 111.718 111.843 -0.125 1
1 383 . 5 1 1 A 54 54 TYR H H 54 8.734 8.653 0.081 1
1 384 . 5 1 1 A 54 54 TYR HA H 54 5.667 5.643 0.024 1
1 391 . 5 1 1 A 54 54 TYR CA C 54 56.403 56.209 0.194 1
1 392 . 5 1 1 A 54 54 TYR CB C 54 41.962 42.659 -0.697 1
1 397 . 5 1 1 A 54 54 TYR N N 54 116.106 119.166 -3.060 1
1 398 . 5 1 1 A 55 55 ILE H H 55 9.160 9.006 0.154 1
1 399 . 5 1 1 A 55 55 ILE HA H 55 5.318 4.681 0.637 1
1 409 . 5 1 1 A 55 55 ILE CA C 55 58.471 59.113 -0.642 1
1 410 . 5 1 1 A 55 55 ILE CB C 55 42.618 41.325 1.293 1
1 414 . 5 1 1 A 55 55 ILE N N 55 115.023 117.290 -2.267 1
1 415 . 5 1 1 A 56 56 GLY H H 56 9.066 8.622 0.444 1
1 416 . 5 1 1 A 56 56 GLY HA2 H 56 3.612 4.115 -0.503 1
1 417 . 5 1 1 A 56 56 GLY HA3 H 56 3.164 4.171 -1.007 1
1 418 . 5 1 1 A 56 56 GLY CA C 56 46.091 45.868 0.223 1
1 419 . 5 1 1 A 56 56 GLY N N 56 111.661 109.428 2.233 1
1 420 . 5 1 1 A 57 57 THR H H 57 8.142 8.764 -0.622 1
1 421 . 5 1 1 A 57 57 THR HA H 57 3.436 4.051 -0.615 1
1 426 . 5 1 1 A 57 57 THR CA C 57 65.333 65.931 -0.598 1
1 427 . 5 1 1 A 57 57 THR CB C 57 68.778 68.683 0.095 1
1 429 . 5 1 1 A 57 57 THR N N 57 124.844 120.502 4.342 1
1 430 . 5 1 1 A 58 58 ARG H H 58 8.261 7.997 0.264 1
1 431 . 5 1 1 A 58 58 ARG HA H 58 3.990 4.301 -0.311 1
1 438 . 5 1 1 A 58 58 ARG CA C 58 57.045 58.163 -1.118 1
1 439 . 5 1 1 A 58 58 ARG CB C 58 28.213 31.264 -3.051 1
1 442 . 5 1 1 A 58 58 ARG N N 58 116.486 118.519 -2.033 1
1 443 . 5 1 1 A 59 59 TYR H H 59 7.298 7.884 -0.586 1
1 444 . 5 1 1 A 59 59 TYR HA H 59 4.775 5.359 -0.584 1
1 451 . 5 1 1 A 59 59 TYR CA C 59 53.961 56.517 -2.556 1
1 452 . 5 1 1 A 59 59 TYR CB C 59 38.522 40.758 -2.236 1
1 457 . 5 1 1 A 59 59 TYR N N 59 118.931 116.440 2.491 1
1 458 . 5 1 1 A 60 60 LEU H H 60 7.430 8.852 -1.422 1
1 459 . 5 1 1 A 60 60 LEU HA H 60 5.028 4.886 0.142 1
1 469 . 5 1 1 A 60 60 LEU CA C 60 52.950 53.590 -0.640 1
1 470 . 5 1 1 A 60 60 LEU CB C 60 44.020 46.759 -2.739 1
1 474 . 5 1 1 A 60 60 LEU N N 60 118.281 124.893 -6.612 1
1 475 . 5 1 1 A 61 61 SER H H 61 8.959 8.557 0.402 1
1 476 . 5 1 1 A 61 61 SER HA H 61 4.894 5.082 -0.188 1
1 479 . 5 1 1 A 61 61 SER CA C 61 56.428 57.942 -1.514 1
1 480 . 5 1 1 A 61 61 SER CB C 61 65.345 63.955 1.390 1
1 481 . 5 1 1 A 61 61 SER N N 61 115.830 117.602 -1.772 1
1 482 . 5 1 1 A 62 62 LYS H H 62 8.872 8.715 0.157 1
1 483 . 5 1 1 A 62 62 LYS HA H 62 3.960 4.991 -1.031 1
1 492 . 5 1 1 A 62 62 LYS CA C 62 57.079 54.522 2.557 1
1 493 . 5 1 1 A 62 62 LYS CB C 62 33.016 35.383 -2.367 1
1 497 . 5 1 1 A 62 62 LYS N N 62 125.311 127.263 -1.952 1
1 498 . 5 1 1 A 63 63 LEU H H 63 7.997 8.929 -0.932 1
1 499 . 5 1 1 A 63 63 LEU HA H 63 4.328 4.046 0.282 1
1 509 . 5 1 1 A 63 63 LEU CA C 63 54.323 58.252 -3.929 1
1 510 . 5 1 1 A 63 63 LEU CB C 63 42.672 41.678 0.994 1
1 514 . 5 1 1 A 63 63 LEU N N 63 121.820 128.035 -6.215 1
1 515 . 5 1 1 A 64 64 GLU H H 64 8.274 8.065 0.209 1
1 1 . 6 1 1 A 3 3 GLY H H 3 8.337 8.173 0.164 1
1 2 . 6 1 1 A 3 3 GLY HA2 H 3 4.308 4.110 0.198 1
1 3 . 6 1 1 A 3 3 GLY HA3 H 3 3.880 4.192 -0.312 1
1 4 . 6 1 1 A 3 3 GLY CA C 3 44.714 45.564 -0.850 1
1 5 . 6 1 1 A 4 4 ASP H H 4 8.223 7.771 0.452 1
1 6 . 6 1 1 A 4 4 ASP HA H 4 5.315 4.821 0.494 1
1 9 . 6 1 1 A 4 4 ASP CA C 4 58.458 53.105 5.353 1
1 10 . 6 1 1 A 4 4 ASP CB C 4 41.275 39.386 1.889 1
1 11 . 6 1 1 A 4 4 ASP N N 4 119.687 121.401 -1.714 1
1 12 . 6 1 1 A 8 8 ASN H H 8 9.232 7.923 1.309 1
1 13 . 6 1 1 A 8 8 ASN HA H 8 5.076 4.111 0.965 1
1 16 . 6 1 1 A 8 8 ASN CA C 8 52.276 54.939 -2.663 1
1 17 . 6 1 1 A 8 8 ASN CB C 8 38.566 36.020 2.546 1
1 18 . 6 1 1 A 8 8 ASN N N 8 129.984 118.754 11.230 1
1 19 . 6 1 1 A 13 13 ASN H H 13 8.616 8.248 0.368 1
1 20 . 6 1 1 A 13 13 ASN HA H 13 5.024 4.898 0.126 1
1 25 . 6 1 1 A 13 13 ASN CA C 13 52.945 52.213 0.732 1
1 26 . 6 1 1 A 13 13 ASN CB C 13 39.596 38.644 0.952 1
1 27 . 6 1 1 A 13 13 ASN N N 13 122.544 118.787 3.757 1
1 29 . 6 1 1 A 14 14 VAL H H 14 8.619 7.437 1.182 1
1 30 . 6 1 1 A 14 14 VAL HA H 14 4.133 4.183 -0.050 1
1 38 . 6 1 1 A 14 14 VAL CA C 14 61.096 61.911 -0.815 1
1 39 . 6 1 1 A 14 14 VAL CB C 14 32.009 29.545 2.464 1
1 42 . 6 1 1 A 14 14 VAL N N 14 122.742 118.674 4.068 1
1 43 . 6 1 1 A 15 15 ARG H H 15 9.322 8.011 1.311 1
1 44 . 6 1 1 A 15 15 ARG HA H 15 5.514 4.525 0.989 1
1 51 . 6 1 1 A 15 15 ARG CA C 15 53.646 54.949 -1.303 1
1 52 . 6 1 1 A 15 15 ARG CB C 15 34.426 30.484 3.942 1
1 55 . 6 1 1 A 15 15 ARG N N 15 125.781 121.582 4.199 1
1 56 . 6 1 1 A 16 16 SER H H 16 8.730 8.955 -0.225 1
1 57 . 6 1 1 A 16 16 SER HA H 16 4.470 4.315 0.155 1
1 60 . 6 1 1 A 16 16 SER CA C 16 59.017 59.230 -0.213 1
1 61 . 6 1 1 A 16 16 SER CB C 16 19.276 61.653 -42.377 1
1 62 . 6 1 1 A 16 16 SER N N 16 112.631 112.715 -0.084 1
1 63 . 6 1 1 A 18 18 GLU H H 18 6.979 8.955 -1.976 1
1 64 . 6 1 1 A 18 18 GLU HA H 18 4.421 4.151 0.270 1
1 69 . 6 1 1 A 18 18 GLU N N 18 113.293 125.268 -11.975 1
1 70 . 6 1 1 A 19 19 GLY H H 19 6.314 7.558 -1.244 1
1 71 . 6 1 1 A 19 19 GLY HA2 H 19 4.306 4.174 0.132 1
1 72 . 6 1 1 A 19 19 GLY HA3 H 19 3.916 4.203 -0.287 1
1 73 . 6 1 1 A 19 19 GLY CA C 19 45.334 45.655 -0.321 1
1 74 . 6 1 1 A 19 19 GLY N N 19 110.212 107.187 3.025 1
1 75 . 6 1 1 A 20 20 THR H H 20 8.804 7.622 1.182 1
1 76 . 6 1 1 A 20 20 THR HA H 20 4.078 4.239 -0.161 1
1 81 . 6 1 1 A 20 20 THR CA C 20 63.267 64.309 -1.042 1
1 82 . 6 1 1 A 20 20 THR CB C 20 68.097 69.628 -1.531 1
1 84 . 6 1 1 A 20 20 THR N N 20 110.310 111.011 -0.701 1
1 85 . 6 1 1 A 21 21 ASN H H 21 8.752 7.801 0.951 1
1 86 . 6 1 1 A 21 21 ASN HA H 21 4.580 4.650 -0.070 1
1 91 . 6 1 1 A 21 21 ASN CA C 21 52.935 51.458 1.477 1
1 92 . 6 1 1 A 21 21 ASN CB C 21 36.494 40.882 -4.388 1
1 93 . 6 1 1 A 21 21 ASN N N 21 115.437 115.845 -0.408 1
1 95 . 6 1 1 A 22 22 TYR H H 22 6.870 8.561 -1.691 1
1 96 . 6 1 1 A 22 22 TYR HA H 22 4.277 4.625 -0.348 1
1 103 . 6 1 1 A 22 22 TYR CA C 22 58.483 58.160 0.323 1
1 104 . 6 1 1 A 22 22 TYR CB C 22 39.094 38.393 0.701 1
1 109 . 6 1 1 A 22 22 TYR N N 22 118.413 122.936 -4.523 1
1 110 . 6 1 1 A 23 23 ARG H H 23 8.107 7.830 0.277 1
1 111 . 6 1 1 A 23 23 ARG HA H 23 4.135 4.429 -0.294 1
1 118 . 6 1 1 A 23 23 ARG CA C 23 56.315 57.512 -1.197 1
1 119 . 6 1 1 A 23 23 ARG CB C 23 30.936 31.269 -0.333 1
1 122 . 6 1 1 A 23 23 ARG N N 23 120.620 119.967 0.653 1
1 123 . 6 1 1 A 24 24 ILE H H 24 8.535 7.796 0.739 1
1 124 . 6 1 1 A 24 24 ILE HA H 24 4.296 3.928 0.368 1
1 134 . 6 1 1 A 24 24 ILE CA C 24 61.695 64.437 -2.742 1
1 135 . 6 1 1 A 24 24 ILE CB C 24 37.876 38.473 -0.597 1
1 139 . 6 1 1 A 24 24 ILE N N 24 121.314 120.150 1.164 1
1 140 . 6 1 1 A 25 25 ILE H H 25 8.995 7.530 1.465 1
1 141 . 6 1 1 A 25 25 ILE HA H 25 4.542 4.144 0.398 1
1 151 . 6 1 1 A 25 25 ILE CA C 25 60.963 59.018 1.945 1
1 152 . 6 1 1 A 25 25 ILE CB C 25 38.523 42.447 -3.924 1
1 156 . 6 1 1 A 25 25 ILE N N 25 121.558 119.624 1.934 1
1 157 . 6 1 1 A 26 26 GLY H H 26 7.396 8.171 -0.775 1
1 158 . 6 1 1 A 26 26 GLY HA2 H 26 4.140 4.127 0.013 1
1 159 . 6 1 1 A 26 26 GLY HA3 H 26 4.002 4.152 -0.150 1
1 160 . 6 1 1 A 26 26 GLY CA C 26 44.715 45.960 -1.245 1
1 161 . 6 1 1 A 26 26 GLY N N 26 108.443 111.206 -2.763 1
1 162 . 6 1 1 A 27 27 ALA H H 27 7.996 8.292 -0.296 1
1 163 . 6 1 1 A 27 27 ALA HA H 27 5.211 4.577 0.634 1
1 167 . 6 1 1 A 27 27 ALA CA C 27 50.903 51.730 -0.827 1
1 168 . 6 1 1 A 27 27 ALA CB C 27 21.348 18.625 2.723 1
1 169 . 6 1 1 A 27 27 ALA N N 27 120.625 123.639 -3.014 1
1 170 . 6 1 1 A 29 29 PRO HA H 29 4.952 4.931 0.021 1
1 177 . 6 1 1 A 29 29 PRO CA C 29 50.614 62.382 -11.768 1
1 178 . 6 1 1 A 29 29 PRO CB C 29 26.144 29.630 -3.486 1
1 181 . 6 1 1 A 32 32 GLN H H 32 9.259 8.615 0.644 1
1 182 . 6 1 1 A 32 32 GLN HA H 32 5.443 4.444 0.999 1
1 183 . 6 1 1 A 32 32 GLN CA C 32 55.719 55.890 -0.171 1
1 184 . 6 1 1 A 32 32 GLN N N 32 116.392 119.654 -3.262 1
1 185 . 6 1 1 A 34 34 VAL H H 34 8.618 7.447 1.171 1
1 186 . 6 1 1 A 34 34 VAL HA H 34 4.132 4.953 -0.821 1
1 194 . 6 1 1 A 34 34 VAL CA C 34 61.096 60.218 0.878 1
1 195 . 6 1 1 A 34 34 VAL CB C 34 32.009 34.620 -2.611 1
1 198 . 6 1 1 A 34 34 VAL N N 34 122.742 118.815 3.927 1
1 200 . 6 1 1 A 37 37 ILE H H 37 9.258 8.978 0.280 1
1 201 . 6 1 1 A 37 37 ILE HA H 37 3.892 4.058 -0.166 1
1 211 . 6 1 1 A 37 37 ILE CA C 37 63.577 62.959 0.618 1
1 212 . 6 1 1 A 37 37 ILE CB C 37 39.554 38.411 1.143 1
1 216 . 6 1 1 A 37 37 ILE N N 37 129.778 130.653 -0.875 1
1 217 . 6 1 1 A 38 38 SER H H 38 7.438 7.104 0.334 1
1 218 . 6 1 1 A 38 38 SER HA H 38 4.463 4.630 -0.167 1
1 221 . 6 1 1 A 38 38 SER CA C 38 57.098 57.321 -0.223 1
1 222 . 6 1 1 A 38 38 SER CB C 38 63.350 65.696 -2.346 1
1 223 . 6 1 1 A 38 38 SER N N 38 109.846 111.529 -1.683 1
1 224 . 6 1 1 A 39 39 GLU H H 39 8.698 8.482 0.216 1
1 225 . 6 1 1 A 39 39 GLU HA H 39 5.181 4.939 0.242 1
1 230 . 6 1 1 A 39 39 GLU CA C 39 55.046 56.446 -1.400 1
1 231 . 6 1 1 A 39 39 GLU CB C 39 32.339 30.933 1.406 1
1 233 . 6 1 1 A 39 39 GLU N N 39 120.149 122.652 -2.503 1
1 234 . 6 1 1 A 40 40 ASN H H 40 8.802 9.539 -0.737 1
1 235 . 6 1 1 A 40 40 ASN HA H 40 4.774 5.072 -0.298 1
1 240 . 6 1 1 A 40 40 ASN CA C 40 54.054 52.852 1.202 1
1 241 . 6 1 1 A 40 40 ASN CB C 40 41.280 41.043 0.237 1
1 242 . 6 1 1 A 40 40 ASN N N 40 119.687 121.195 -1.508 1
1 244 . 6 1 1 A 41 41 SER H H 41 9.138 9.383 -0.245 1
1 245 . 6 1 1 A 41 41 SER HA H 41 4.054 4.072 -0.018 1
1 248 . 6 1 1 A 41 41 SER CA C 41 58.464 59.285 -0.821 1
1 249 . 6 1 1 A 41 41 SER CB C 41 61.911 62.132 -0.221 1
1 250 . 6 1 1 A 41 41 SER N N 41 118.754 122.088 -3.334 1
1 251 . 6 1 1 A 42 42 GLY H H 42 8.411 8.394 0.017 1
1 252 . 6 1 1 A 42 42 GLY HA2 H 42 4.080 3.947 0.133 1
1 253 . 6 1 1 A 42 42 GLY HA3 H 42 3.419 4.009 -0.590 1
1 254 . 6 1 1 A 42 42 GLY CA C 42 45.042 45.655 -0.613 1
1 255 . 6 1 1 A 42 42 GLY N N 42 105.488 106.130 -0.642 1
1 256 . 6 1 1 A 43 43 TRP H H 43 8.216 7.683 0.533 1
1 257 . 6 1 1 A 43 43 TRP HA H 43 5.046 4.757 0.289 1
1 266 . 6 1 1 A 43 43 TRP CA C 43 56.182 57.501 -1.319 1
1 267 . 6 1 1 A 43 43 TRP CB C 43 32.162 30.981 1.181 1
1 273 . 6 1 1 A 43 43 TRP N N 43 122.262 121.557 0.705 1
1 275 . 6 1 1 A 44 44 SER H H 44 10.151 9.197 0.954 1
1 276 . 6 1 1 A 44 44 SER HA H 44 5.028 5.195 -0.167 1
1 279 . 6 1 1 A 44 44 SER CA C 44 58.463 56.587 1.876 1
1 280 . 6 1 1 A 44 44 SER CB C 44 64.198 64.931 -0.733 1
1 281 . 6 1 1 A 44 44 SER N N 44 122.494 116.624 5.870 1
1 282 . 6 1 1 A 45 45 LYS H H 45 8.905 8.976 -0.071 1
1 283 . 6 1 1 A 45 45 LYS HA H 45 4.474 4.639 -0.165 1
1 292 . 6 1 1 A 45 45 LYS CA C 45 55.039 56.044 -1.005 1
1 293 . 6 1 1 A 45 45 LYS CB C 45 33.755 33.159 0.596 1
1 297 . 6 1 1 A 45 45 LYS N N 45 128.116 124.760 3.356 1
1 298 . 6 1 1 A 46 46 ILE H H 46 8.912 8.489 0.423 1
1 299 . 6 1 1 A 46 46 ILE HA H 46 4.974 4.897 0.077 1
1 309 . 6 1 1 A 46 46 ILE CA C 46 58.570 58.443 0.127 1
1 310 . 6 1 1 A 46 46 ILE CB C 46 42.651 42.359 0.292 1
1 314 . 6 1 1 A 46 46 ILE N N 46 119.419 118.953 0.466 1
1 315 . 6 1 1 A 47 47 ASN H H 47 8.855 8.491 0.364 1
1 316 . 6 1 1 A 47 47 ASN HA H 47 5.016 5.308 -0.292 1
1 321 . 6 1 1 A 47 47 ASN CA C 47 52.281 51.407 0.874 1
1 322 . 6 1 1 A 47 47 ASN CB C 47 39.208 40.748 -1.540 1
1 323 . 6 1 1 A 47 47 ASN N N 47 119.209 121.146 -1.937 1
1 325 . 6 1 1 A 48 48 TYR H H 48 9.147 9.470 -0.323 1
1 326 . 6 1 1 A 48 48 TYR HA H 48 4.647 4.818 -0.171 1
1 333 . 6 1 1 A 48 48 TYR CA C 48 56.347 57.574 -1.227 1
1 334 . 6 1 1 A 48 48 TYR CB C 48 39.210 40.681 -1.471 1
1 339 . 6 1 1 A 48 48 TYR N N 48 126.582 128.278 -1.696 1
1 340 . 6 1 1 A 49 49 ASN H H 49 8.807 9.750 -0.943 1
1 341 . 6 1 1 A 49 49 ASN HA H 49 4.110 4.295 -0.185 1
1 346 . 6 1 1 A 49 49 ASN CA C 49 53.309 53.972 -0.663 1
1 347 . 6 1 1 A 49 49 ASN CB C 49 37.118 37.471 -0.353 1
1 348 . 6 1 1 A 49 49 ASN N N 49 125.133 126.087 -0.954 1
1 350 . 6 1 1 A 50 50 GLY H H 50 8.202 8.060 0.142 1
1 351 . 6 1 1 A 50 50 GLY HA2 H 50 4.149 3.822 0.327 1
1 352 . 6 1 1 A 50 50 GLY HA3 H 50 3.626 3.827 -0.201 1
1 353 . 6 1 1 A 50 50 GLY CA C 50 45.402 45.331 0.071 1
1 354 . 6 1 1 A 50 50 GLY N N 50 104.198 104.188 0.010 1
1 355 . 6 1 1 A 51 51 GLN H H 51 7.799 7.611 0.188 1
1 356 . 6 1 1 A 51 51 GLN HA H 51 4.651 4.738 -0.087 1
1 363 . 6 1 1 A 51 51 GLN CA C 51 53.530 54.846 -1.316 1
1 364 . 6 1 1 A 51 51 GLN CB C 51 31.653 30.481 1.172 1
1 366 . 6 1 1 A 51 51 GLN N N 51 119.235 117.573 1.662 1
1 368 . 6 1 1 A 52 52 THR H H 52 8.491 8.588 -0.097 1
1 369 . 6 1 1 A 52 52 THR HA H 52 4.546 4.498 0.048 1
1 374 . 6 1 1 A 52 52 THR CA C 52 62.631 62.231 0.400 1
1 375 . 6 1 1 A 52 52 THR CB C 52 69.224 69.067 0.157 1
1 377 . 6 1 1 A 52 52 THR N N 52 118.279 119.753 -1.474 1
1 378 . 6 1 1 A 53 53 GLY H H 53 8.406 8.717 -0.311 1
1 379 . 6 1 1 A 53 53 GLY HA2 H 53 4.588 4.216 0.372 1
1 380 . 6 1 1 A 53 53 GLY HA3 H 53 3.115 4.225 -1.110 1
1 381 . 6 1 1 A 53 53 GLY CA C 53 43.338 45.103 -1.765 1
1 382 . 6 1 1 A 53 53 GLY N N 53 111.718 112.849 -1.131 1
1 383 . 6 1 1 A 54 54 TYR H H 54 8.734 8.435 0.299 1
1 384 . 6 1 1 A 54 54 TYR HA H 54 5.667 5.549 0.118 1
1 391 . 6 1 1 A 54 54 TYR CA C 54 56.403 56.404 -0.001 1
1 392 . 6 1 1 A 54 54 TYR CB C 54 41.962 43.143 -1.181 1
1 397 . 6 1 1 A 54 54 TYR N N 54 116.106 118.543 -2.437 1
1 398 . 6 1 1 A 55 55 ILE H H 55 9.160 8.421 0.739 1
1 399 . 6 1 1 A 55 55 ILE HA H 55 5.318 4.445 0.873 1
1 409 . 6 1 1 A 55 55 ILE CA C 55 58.471 59.037 -0.566 1
1 410 . 6 1 1 A 55 55 ILE CB C 55 42.618 41.775 0.843 1
1 414 . 6 1 1 A 55 55 ILE N N 55 115.023 116.834 -1.811 1
1 415 . 6 1 1 A 56 56 GLY H H 56 9.066 8.375 0.691 1
1 416 . 6 1 1 A 56 56 GLY HA2 H 56 3.612 4.139 -0.527 1
1 417 . 6 1 1 A 56 56 GLY HA3 H 56 3.164 4.146 -0.982 1
1 418 . 6 1 1 A 56 56 GLY CA C 56 46.091 45.388 0.703 1
1 419 . 6 1 1 A 56 56 GLY N N 56 111.661 109.245 2.416 1
1 420 . 6 1 1 A 57 57 THR H H 57 8.142 8.891 -0.749 1
1 421 . 6 1 1 A 57 57 THR HA H 57 3.436 4.347 -0.911 1
1 426 . 6 1 1 A 57 57 THR CA C 57 65.333 64.123 1.210 1
1 427 . 6 1 1 A 57 57 THR CB C 57 68.778 68.820 -0.042 1
1 429 . 6 1 1 A 57 57 THR N N 57 124.844 115.966 8.878 1
1 430 . 6 1 1 A 58 58 ARG H H 58 8.261 7.978 0.283 1
1 431 . 6 1 1 A 58 58 ARG HA H 58 3.990 4.269 -0.279 1
1 438 . 6 1 1 A 58 58 ARG CA C 58 57.045 58.191 -1.146 1
1 439 . 6 1 1 A 58 58 ARG CB C 58 28.213 31.249 -3.036 1
1 442 . 6 1 1 A 58 58 ARG N N 58 116.486 119.367 -2.881 1
1 443 . 6 1 1 A 59 59 TYR H H 59 7.298 7.775 -0.477 1
1 444 . 6 1 1 A 59 59 TYR HA H 59 4.775 5.298 -0.523 1
1 451 . 6 1 1 A 59 59 TYR CA C 59 53.961 56.801 -2.840 1
1 452 . 6 1 1 A 59 59 TYR CB C 59 38.522 41.136 -2.614 1
1 457 . 6 1 1 A 59 59 TYR N N 59 118.931 116.659 2.272 1
1 458 . 6 1 1 A 60 60 LEU H H 60 7.430 9.310 -1.880 1
1 459 . 6 1 1 A 60 60 LEU HA H 60 5.028 5.118 -0.090 1
1 469 . 6 1 1 A 60 60 LEU CA C 60 52.950 53.465 -0.515 1
1 470 . 6 1 1 A 60 60 LEU CB C 60 44.020 46.891 -2.871 1
1 474 . 6 1 1 A 60 60 LEU N N 60 118.281 125.426 -7.145 1
1 475 . 6 1 1 A 61 61 SER H H 61 8.959 8.932 0.027 1
1 476 . 6 1 1 A 61 61 SER HA H 61 4.894 5.063 -0.169 1
1 479 . 6 1 1 A 61 61 SER CA C 61 56.428 57.700 -1.272 1
1 480 . 6 1 1 A 61 61 SER CB C 61 65.345 65.869 -0.524 1
1 481 . 6 1 1 A 61 61 SER N N 61 115.830 117.013 -1.183 1
1 482 . 6 1 1 A 62 62 LYS H H 62 8.872 8.732 0.140 1
1 483 . 6 1 1 A 62 62 LYS HA H 62 3.960 4.293 -0.333 1
1 492 . 6 1 1 A 62 62 LYS CA C 62 57.079 56.880 0.199 1
1 493 . 6 1 1 A 62 62 LYS CB C 62 33.016 33.468 -0.452 1
1 497 . 6 1 1 A 62 62 LYS N N 62 125.311 128.618 -3.307 1
1 498 . 6 1 1 A 63 63 LEU H H 63 7.997 8.472 -0.475 1
1 499 . 6 1 1 A 63 63 LEU HA H 63 4.328 4.317 0.011 1
1 509 . 6 1 1 A 63 63 LEU CA C 63 54.323 56.055 -1.732 1
1 510 . 6 1 1 A 63 63 LEU CB C 63 42.672 42.122 0.550 1
1 514 . 6 1 1 A 63 63 LEU N N 63 121.820 124.297 -2.477 1
1 515 . 6 1 1 A 64 64 GLU H H 64 8.274 8.159 0.115 1
1 1 . 7 1 1 A 3 3 GLY H H 3 8.337 8.208 0.129 1
1 2 . 7 1 1 A 3 3 GLY HA2 H 3 4.308 4.192 0.116 1
1 3 . 7 1 1 A 3 3 GLY HA3 H 3 3.880 4.220 -0.340 1
1 4 . 7 1 1 A 3 3 GLY CA C 3 44.714 45.386 -0.672 1
1 5 . 7 1 1 A 4 4 ASP H H 4 8.223 8.086 0.137 1
1 6 . 7 1 1 A 4 4 ASP HA H 4 5.315 5.033 0.282 1
1 9 . 7 1 1 A 4 4 ASP CA C 4 58.458 53.188 5.270 1
1 10 . 7 1 1 A 4 4 ASP CB C 4 41.275 44.030 -2.755 1
1 11 . 7 1 1 A 4 4 ASP N N 4 119.687 120.972 -1.285 1
1 12 . 7 1 1 A 8 8 ASN H H 8 9.232 8.568 0.664 1
1 13 . 7 1 1 A 8 8 ASN HA H 8 5.076 4.437 0.639 1
1 16 . 7 1 1 A 8 8 ASN CA C 8 52.276 55.428 -3.152 1
1 17 . 7 1 1 A 8 8 ASN CB C 8 38.566 37.116 1.450 1
1 18 . 7 1 1 A 8 8 ASN N N 8 129.984 124.239 5.745 1
1 19 . 7 1 1 A 13 13 ASN H H 13 8.616 8.902 -0.286 1
1 20 . 7 1 1 A 13 13 ASN HA H 13 5.024 5.071 -0.047 1
1 25 . 7 1 1 A 13 13 ASN CA C 13 52.945 54.428 -1.483 1
1 26 . 7 1 1 A 13 13 ASN CB C 13 39.596 40.355 -0.759 1
1 27 . 7 1 1 A 13 13 ASN N N 13 122.544 123.396 -0.852 1
1 29 . 7 1 1 A 14 14 VAL H H 14 8.619 7.542 1.077 1
1 30 . 7 1 1 A 14 14 VAL HA H 14 4.133 3.536 0.597 1
1 38 . 7 1 1 A 14 14 VAL CA C 14 61.096 66.332 -5.236 1
1 39 . 7 1 1 A 14 14 VAL CB C 14 32.009 31.649 0.360 1
1 42 . 7 1 1 A 14 14 VAL N N 14 122.742 119.544 3.198 1
1 43 . 7 1 1 A 15 15 ARG H H 15 9.322 8.028 1.294 1
1 44 . 7 1 1 A 15 15 ARG HA H 15 5.514 3.605 1.909 1
1 51 . 7 1 1 A 15 15 ARG CA C 15 53.646 56.901 -3.255 1
1 52 . 7 1 1 A 15 15 ARG CB C 15 34.426 27.762 6.664 1
1 55 . 7 1 1 A 15 15 ARG N N 15 125.781 119.264 6.517 1
1 56 . 7 1 1 A 16 16 SER H H 16 8.730 8.305 0.425 1
1 57 . 7 1 1 A 16 16 SER HA H 16 4.470 3.878 0.592 1
1 60 . 7 1 1 A 16 16 SER CA C 16 59.017 58.905 0.112 1
1 61 . 7 1 1 A 16 16 SER CB C 16 19.276 61.990 -42.714 1
1 62 . 7 1 1 A 16 16 SER N N 16 112.631 113.023 -0.392 1
1 63 . 7 1 1 A 18 18 GLU H H 18 6.979 8.542 -1.563 1
1 64 . 7 1 1 A 18 18 GLU HA H 18 4.421 4.421 0.000 1
1 69 . 7 1 1 A 18 18 GLU N N 18 113.293 125.441 -12.148 1
1 70 . 7 1 1 A 19 19 GLY H H 19 6.314 7.816 -1.502 1
1 71 . 7 1 1 A 19 19 GLY HA2 H 19 4.306 3.721 0.585 1
1 72 . 7 1 1 A 19 19 GLY HA3 H 19 3.916 4.147 -0.231 1
1 73 . 7 1 1 A 19 19 GLY CA C 19 45.334 45.481 -0.147 1
1 74 . 7 1 1 A 19 19 GLY N N 19 110.212 107.477 2.735 1
1 75 . 7 1 1 A 20 20 THR H H 20 8.804 8.021 0.783 1
1 76 . 7 1 1 A 20 20 THR HA H 20 4.078 4.213 -0.135 1
1 81 . 7 1 1 A 20 20 THR CA C 20 63.267 63.587 -0.320 1
1 82 . 7 1 1 A 20 20 THR CB C 20 68.097 69.215 -1.118 1
1 84 . 7 1 1 A 20 20 THR N N 20 110.310 110.926 -0.616 1
1 85 . 7 1 1 A 21 21 ASN H H 21 8.752 7.220 1.532 1
1 86 . 7 1 1 A 21 21 ASN HA H 21 4.580 5.049 -0.469 1
1 91 . 7 1 1 A 21 21 ASN CA C 21 52.935 52.153 0.782 1
1 92 . 7 1 1 A 21 21 ASN CB C 21 36.494 42.644 -6.150 1
1 93 . 7 1 1 A 21 21 ASN N N 21 115.437 116.027 -0.590 1
1 95 . 7 1 1 A 22 22 TYR H H 22 6.870 8.866 -1.996 1
1 96 . 7 1 1 A 22 22 TYR HA H 22 4.277 4.976 -0.699 1
1 103 . 7 1 1 A 22 22 TYR CA C 22 58.483 58.011 0.472 1
1 104 . 7 1 1 A 22 22 TYR CB C 22 39.094 40.136 -1.042 1
1 109 . 7 1 1 A 22 22 TYR N N 22 118.413 121.321 -2.908 1
1 110 . 7 1 1 A 23 23 ARG H H 23 8.107 8.285 -0.178 1
1 111 . 7 1 1 A 23 23 ARG HA H 23 4.135 4.144 -0.009 1
1 118 . 7 1 1 A 23 23 ARG CA C 23 56.315 58.835 -2.520 1
1 119 . 7 1 1 A 23 23 ARG CB C 23 30.936 30.051 0.885 1
1 122 . 7 1 1 A 23 23 ARG N N 23 120.620 119.571 1.049 1
1 123 . 7 1 1 A 24 24 ILE H H 24 8.535 7.787 0.748 1
1 124 . 7 1 1 A 24 24 ILE HA H 24 4.296 4.099 0.197 1
1 134 . 7 1 1 A 24 24 ILE CA C 24 61.695 63.438 -1.743 1
1 135 . 7 1 1 A 24 24 ILE CB C 24 37.876 38.969 -1.093 1
1 139 . 7 1 1 A 24 24 ILE N N 24 121.314 119.838 1.476 1
1 140 . 7 1 1 A 25 25 ILE H H 25 8.995 7.529 1.466 1
1 141 . 7 1 1 A 25 25 ILE HA H 25 4.542 4.101 0.441 1
1 151 . 7 1 1 A 25 25 ILE CA C 25 60.963 59.133 1.830 1
1 152 . 7 1 1 A 25 25 ILE CB C 25 38.523 38.494 0.029 1
1 156 . 7 1 1 A 25 25 ILE N N 25 121.558 121.697 -0.139 1
1 157 . 7 1 1 A 26 26 GLY H H 26 7.396 7.891 -0.495 1
1 158 . 7 1 1 A 26 26 GLY HA2 H 26 4.140 4.010 0.130 1
1 159 . 7 1 1 A 26 26 GLY HA3 H 26 4.002 4.098 -0.096 1
1 160 . 7 1 1 A 26 26 GLY CA C 26 44.715 45.408 -0.693 1
1 161 . 7 1 1 A 26 26 GLY N N 26 108.443 114.287 -5.844 1
1 162 . 7 1 1 A 27 27 ALA H H 27 7.996 8.566 -0.570 1
1 163 . 7 1 1 A 27 27 ALA HA H 27 5.211 4.867 0.344 1
1 167 . 7 1 1 A 27 27 ALA CA C 27 50.903 51.246 -0.343 1
1 168 . 7 1 1 A 27 27 ALA CB C 27 21.348 19.999 1.349 1
1 169 . 7 1 1 A 27 27 ALA N N 27 120.625 125.085 -4.460 1
1 170 . 7 1 1 A 29 29 PRO HA H 29 4.952 4.633 0.319 1
1 177 . 7 1 1 A 29 29 PRO CA C 29 50.614 62.220 -11.606 1
1 178 . 7 1 1 A 29 29 PRO CB C 29 26.144 28.796 -2.652 1
1 181 . 7 1 1 A 32 32 GLN H H 32 9.259 8.340 0.919 1
1 182 . 7 1 1 A 32 32 GLN HA H 32 5.443 4.455 0.988 1
1 183 . 7 1 1 A 32 32 GLN CA C 32 55.719 55.290 0.429 1
1 184 . 7 1 1 A 32 32 GLN N N 32 116.392 119.662 -3.270 1
1 185 . 7 1 1 A 34 34 VAL H H 34 8.618 8.577 0.041 1
1 186 . 7 1 1 A 34 34 VAL HA H 34 4.132 3.704 0.428 1
1 194 . 7 1 1 A 34 34 VAL CA C 34 61.096 65.247 -4.151 1
1 195 . 7 1 1 A 34 34 VAL CB C 34 32.009 29.241 2.768 1
1 198 . 7 1 1 A 34 34 VAL N N 34 122.742 117.145 5.597 1
1 200 . 7 1 1 A 37 37 ILE H H 37 9.258 8.775 0.483 1
1 201 . 7 1 1 A 37 37 ILE HA H 37 3.892 4.191 -0.299 1
1 211 . 7 1 1 A 37 37 ILE CA C 37 63.577 62.328 1.249 1
1 212 . 7 1 1 A 37 37 ILE CB C 37 39.554 39.042 0.512 1
1 216 . 7 1 1 A 37 37 ILE N N 37 129.778 130.662 -0.884 1
1 217 . 7 1 1 A 38 38 SER H H 38 7.438 7.405 0.033 1
1 218 . 7 1 1 A 38 38 SER HA H 38 4.463 4.794 -0.331 1
1 221 . 7 1 1 A 38 38 SER CA C 38 57.098 56.775 0.323 1
1 222 . 7 1 1 A 38 38 SER CB C 38 63.350 65.766 -2.416 1
1 223 . 7 1 1 A 38 38 SER N N 38 109.846 112.572 -2.726 1
1 224 . 7 1 1 A 39 39 GLU H H 39 8.698 8.536 0.162 1
1 225 . 7 1 1 A 39 39 GLU HA H 39 5.181 5.553 -0.372 1
1 230 . 7 1 1 A 39 39 GLU CA C 39 55.046 55.039 0.007 1
1 231 . 7 1 1 A 39 39 GLU CB C 39 32.339 33.967 -1.628 1
1 233 . 7 1 1 A 39 39 GLU N N 39 120.149 121.314 -1.165 1
1 234 . 7 1 1 A 40 40 ASN H H 40 8.802 9.483 -0.681 1
1 235 . 7 1 1 A 40 40 ASN HA H 40 4.774 4.956 -0.182 1
1 240 . 7 1 1 A 40 40 ASN CA C 40 54.054 53.186 0.868 1
1 241 . 7 1 1 A 40 40 ASN CB C 40 41.280 41.071 0.209 1
1 242 . 7 1 1 A 40 40 ASN N N 40 119.687 120.110 -0.423 1
1 244 . 7 1 1 A 41 41 SER H H 41 9.138 9.364 -0.226 1
1 245 . 7 1 1 A 41 41 SER HA H 41 4.054 4.055 -0.001 1
1 248 . 7 1 1 A 41 41 SER CA C 41 58.464 59.243 -0.779 1
1 249 . 7 1 1 A 41 41 SER CB C 41 61.911 62.140 -0.229 1
1 250 . 7 1 1 A 41 41 SER N N 41 118.754 122.003 -3.249 1
1 251 . 7 1 1 A 42 42 GLY H H 42 8.411 8.333 0.078 1
1 252 . 7 1 1 A 42 42 GLY HA2 H 42 4.080 3.912 0.168 1
1 253 . 7 1 1 A 42 42 GLY HA3 H 42 3.419 3.976 -0.557 1
1 254 . 7 1 1 A 42 42 GLY CA C 42 45.042 45.257 -0.215 1
1 255 . 7 1 1 A 42 42 GLY N N 42 105.488 105.531 -0.043 1
1 256 . 7 1 1 A 43 43 TRP H H 43 8.216 7.556 0.660 1
1 257 . 7 1 1 A 43 43 TRP HA H 43 5.046 5.135 -0.089 1
1 266 . 7 1 1 A 43 43 TRP CA C 43 56.182 56.989 -0.807 1
1 267 . 7 1 1 A 43 43 TRP CB C 43 32.162 31.753 0.409 1
1 273 . 7 1 1 A 43 43 TRP N N 43 122.262 121.593 0.669 1
1 275 . 7 1 1 A 44 44 SER H H 44 10.151 9.202 0.949 1
1 276 . 7 1 1 A 44 44 SER HA H 44 5.028 5.051 -0.023 1
1 279 . 7 1 1 A 44 44 SER CA C 44 58.463 57.697 0.766 1
1 280 . 7 1 1 A 44 44 SER CB C 44 64.198 64.837 -0.639 1
1 281 . 7 1 1 A 44 44 SER N N 44 122.494 117.585 4.909 1
1 282 . 7 1 1 A 45 45 LYS H H 45 8.905 9.080 -0.175 1
1 283 . 7 1 1 A 45 45 LYS HA H 45 4.474 4.582 -0.108 1
1 292 . 7 1 1 A 45 45 LYS CA C 45 55.039 56.299 -1.260 1
1 293 . 7 1 1 A 45 45 LYS CB C 45 33.755 32.833 0.922 1
1 297 . 7 1 1 A 45 45 LYS N N 45 128.116 124.226 3.890 1
1 298 . 7 1 1 A 46 46 ILE H H 46 8.912 8.670 0.242 1
1 299 . 7 1 1 A 46 46 ILE HA H 46 4.974 4.945 0.029 1
1 309 . 7 1 1 A 46 46 ILE CA C 46 58.570 58.266 0.304 1
1 310 . 7 1 1 A 46 46 ILE CB C 46 42.651 42.368 0.283 1
1 314 . 7 1 1 A 46 46 ILE N N 46 119.419 118.708 0.711 1
1 315 . 7 1 1 A 47 47 ASN H H 47 8.855 8.803 0.052 1
1 316 . 7 1 1 A 47 47 ASN HA H 47 5.016 5.423 -0.407 1
1 321 . 7 1 1 A 47 47 ASN CA C 47 52.281 51.462 0.819 1
1 322 . 7 1 1 A 47 47 ASN CB C 47 39.208 40.608 -1.400 1
1 323 . 7 1 1 A 47 47 ASN N N 47 119.209 120.516 -1.307 1
1 325 . 7 1 1 A 48 48 TYR H H 48 9.147 9.309 -0.162 1
1 326 . 7 1 1 A 48 48 TYR HA H 48 4.647 4.761 -0.114 1
1 333 . 7 1 1 A 48 48 TYR CA C 48 56.347 57.638 -1.291 1
1 334 . 7 1 1 A 48 48 TYR CB C 48 39.210 40.506 -1.296 1
1 339 . 7 1 1 A 48 48 TYR N N 48 126.582 128.225 -1.643 1
1 340 . 7 1 1 A 49 49 ASN H H 49 8.807 9.169 -0.362 1
1 341 . 7 1 1 A 49 49 ASN HA H 49 4.110 4.350 -0.240 1
1 346 . 7 1 1 A 49 49 ASN CA C 49 53.309 54.006 -0.697 1
1 347 . 7 1 1 A 49 49 ASN CB C 49 37.118 37.593 -0.475 1
1 348 . 7 1 1 A 49 49 ASN N N 49 125.133 126.359 -1.226 1
1 350 . 7 1 1 A 50 50 GLY H H 50 8.202 8.052 0.150 1
1 351 . 7 1 1 A 50 50 GLY HA2 H 50 4.149 3.810 0.339 1
1 352 . 7 1 1 A 50 50 GLY HA3 H 50 3.626 3.820 -0.194 1
1 353 . 7 1 1 A 50 50 GLY CA C 50 45.402 45.466 -0.064 1
1 354 . 7 1 1 A 50 50 GLY N N 50 104.198 104.322 -0.124 1
1 355 . 7 1 1 A 51 51 GLN H H 51 7.799 7.563 0.236 1
1 356 . 7 1 1 A 51 51 GLN HA H 51 4.651 4.903 -0.252 1
1 363 . 7 1 1 A 51 51 GLN CA C 51 53.530 53.549 -0.019 1
1 364 . 7 1 1 A 51 51 GLN CB C 51 31.653 31.946 -0.293 1
1 366 . 7 1 1 A 51 51 GLN N N 51 119.235 115.361 3.874 1
1 368 . 7 1 1 A 52 52 THR H H 52 8.491 8.610 -0.119 1
1 369 . 7 1 1 A 52 52 THR HA H 52 4.546 4.234 0.312 1
1 374 . 7 1 1 A 52 52 THR CA C 52 62.631 63.607 -0.976 1
1 375 . 7 1 1 A 52 52 THR CB C 52 69.224 68.662 0.562 1
1 377 . 7 1 1 A 52 52 THR N N 52 118.279 116.716 1.563 1
1 378 . 7 1 1 A 53 53 GLY H H 53 8.406 8.829 -0.423 1
1 379 . 7 1 1 A 53 53 GLY HA2 H 53 4.588 4.234 0.354 1
1 380 . 7 1 1 A 53 53 GLY HA3 H 53 3.115 4.242 -1.127 1
1 381 . 7 1 1 A 53 53 GLY CA C 53 43.338 43.975 -0.637 1
1 382 . 7 1 1 A 53 53 GLY N N 53 111.718 113.782 -2.064 1
1 383 . 7 1 1 A 54 54 TYR H H 54 8.734 8.575 0.159 1
1 384 . 7 1 1 A 54 54 TYR HA H 54 5.667 5.706 -0.039 1
1 391 . 7 1 1 A 54 54 TYR CA C 54 56.403 56.415 -0.012 1
1 392 . 7 1 1 A 54 54 TYR CB C 54 41.962 43.444 -1.482 1
1 397 . 7 1 1 A 54 54 TYR N N 54 116.106 118.797 -2.691 1
1 398 . 7 1 1 A 55 55 ILE H H 55 9.160 8.437 0.723 1
1 399 . 7 1 1 A 55 55 ILE HA H 55 5.318 4.675 0.643 1
1 409 . 7 1 1 A 55 55 ILE CA C 55 58.471 59.219 -0.748 1
1 410 . 7 1 1 A 55 55 ILE CB C 55 42.618 41.701 0.917 1
1 414 . 7 1 1 A 55 55 ILE N N 55 115.023 116.305 -1.282 1
1 415 . 7 1 1 A 56 56 GLY H H 56 9.066 8.445 0.621 1
1 416 . 7 1 1 A 56 56 GLY HA2 H 56 3.612 4.079 -0.467 1
1 417 . 7 1 1 A 56 56 GLY HA3 H 56 3.164 4.176 -1.012 1
1 418 . 7 1 1 A 56 56 GLY CA C 56 46.091 45.618 0.473 1
1 419 . 7 1 1 A 56 56 GLY N N 56 111.661 109.482 2.179 1
1 420 . 7 1 1 A 57 57 THR H H 57 8.142 8.026 0.116 1
1 421 . 7 1 1 A 57 57 THR HA H 57 3.436 4.058 -0.622 1
1 426 . 7 1 1 A 57 57 THR CA C 57 65.333 65.906 -0.573 1
1 427 . 7 1 1 A 57 57 THR CB C 57 68.778 68.900 -0.122 1
1 429 . 7 1 1 A 57 57 THR N N 57 124.844 120.904 3.940 1
1 430 . 7 1 1 A 58 58 ARG H H 58 8.261 8.469 -0.208 1
1 431 . 7 1 1 A 58 58 ARG HA H 58 3.990 4.221 -0.231 1
1 438 . 7 1 1 A 58 58 ARG CA C 58 57.045 57.840 -0.795 1
1 439 . 7 1 1 A 58 58 ARG CB C 58 28.213 29.694 -1.481 1
1 442 . 7 1 1 A 58 58 ARG N N 58 116.486 118.824 -2.338 1
1 443 . 7 1 1 A 59 59 TYR H H 59 7.298 7.950 -0.652 1
1 444 . 7 1 1 A 59 59 TYR HA H 59 4.775 5.280 -0.505 1
1 451 . 7 1 1 A 59 59 TYR CA C 59 53.961 56.889 -2.928 1
1 452 . 7 1 1 A 59 59 TYR CB C 59 38.522 41.247 -2.725 1
1 457 . 7 1 1 A 59 59 TYR N N 59 118.931 119.225 -0.294 1
1 458 . 7 1 1 A 60 60 LEU H H 60 7.430 8.861 -1.431 1
1 459 . 7 1 1 A 60 60 LEU HA H 60 5.028 4.933 0.095 1
1 469 . 7 1 1 A 60 60 LEU CA C 60 52.950 53.724 -0.774 1
1 470 . 7 1 1 A 60 60 LEU CB C 60 44.020 47.197 -3.177 1
1 474 . 7 1 1 A 60 60 LEU N N 60 118.281 125.216 -6.935 1
1 475 . 7 1 1 A 61 61 SER H H 61 8.959 8.508 0.451 1
1 476 . 7 1 1 A 61 61 SER HA H 61 4.894 5.021 -0.127 1
1 479 . 7 1 1 A 61 61 SER CA C 61 56.428 57.073 -0.645 1
1 480 . 7 1 1 A 61 61 SER CB C 61 65.345 66.299 -0.954 1
1 481 . 7 1 1 A 61 61 SER N N 61 115.830 116.137 -0.307 1
1 482 . 7 1 1 A 62 62 LYS H H 62 8.872 8.693 0.179 1
1 483 . 7 1 1 A 62 62 LYS HA H 62 3.960 4.647 -0.687 1
1 492 . 7 1 1 A 62 62 LYS CA C 62 57.079 55.158 1.921 1
1 493 . 7 1 1 A 62 62 LYS CB C 62 33.016 34.001 -0.985 1
1 497 . 7 1 1 A 62 62 LYS N N 62 125.311 127.001 -1.690 1
1 498 . 7 1 1 A 63 63 LEU H H 63 7.997 8.524 -0.527 1
1 499 . 7 1 1 A 63 63 LEU HA H 63 4.328 4.416 -0.088 1
1 509 . 7 1 1 A 63 63 LEU CA C 63 54.323 54.329 -0.006 1
1 510 . 7 1 1 A 63 63 LEU CB C 63 42.672 41.282 1.390 1
1 514 . 7 1 1 A 63 63 LEU N N 63 121.820 122.557 -0.737 1
1 515 . 7 1 1 A 64 64 GLU H H 64 8.274 7.685 0.589 1
1 1 . 8 1 1 A 3 3 GLY H H 3 8.337 8.758 -0.421 1
1 2 . 8 1 1 A 3 3 GLY HA2 H 3 4.308 4.174 0.134 1
1 3 . 8 1 1 A 3 3 GLY HA3 H 3 3.880 4.259 -0.379 1
1 4 . 8 1 1 A 3 3 GLY CA C 3 44.714 45.379 -0.665 1
1 5 . 8 1 1 A 4 4 ASP H H 4 8.223 7.487 0.736 1
1 6 . 8 1 1 A 4 4 ASP HA H 4 5.315 4.832 0.483 1
1 9 . 8 1 1 A 4 4 ASP CA C 4 58.458 53.444 5.014 1
1 10 . 8 1 1 A 4 4 ASP CB C 4 41.275 41.356 -0.081 1
1 11 . 8 1 1 A 4 4 ASP N N 4 119.687 120.588 -0.901 1
1 12 . 8 1 1 A 8 8 ASN H H 8 9.232 7.915 1.317 1
1 13 . 8 1 1 A 8 8 ASN HA H 8 5.076 4.349 0.727 1
1 16 . 8 1 1 A 8 8 ASN CA C 8 52.276 54.725 -2.449 1
1 17 . 8 1 1 A 8 8 ASN CB C 8 38.566 38.520 0.046 1
1 18 . 8 1 1 A 8 8 ASN N N 8 129.984 119.144 10.840 1
1 19 . 8 1 1 A 13 13 ASN H H 13 8.616 7.908 0.708 1
1 20 . 8 1 1 A 13 13 ASN HA H 13 5.024 4.506 0.518 1
1 25 . 8 1 1 A 13 13 ASN CA C 13 52.945 56.117 -3.172 1
1 26 . 8 1 1 A 13 13 ASN CB C 13 39.596 38.852 0.744 1
1 27 . 8 1 1 A 13 13 ASN N N 13 122.544 115.634 6.910 1
1 29 . 8 1 1 A 14 14 VAL H H 14 8.619 7.689 0.930 1
1 30 . 8 1 1 A 14 14 VAL HA H 14 4.133 4.320 -0.187 1
1 38 . 8 1 1 A 14 14 VAL CA C 14 61.096 61.740 -0.644 1
1 39 . 8 1 1 A 14 14 VAL CB C 14 32.009 29.942 2.067 1
1 42 . 8 1 1 A 14 14 VAL N N 14 122.742 117.839 4.903 1
1 43 . 8 1 1 A 15 15 ARG H H 15 9.322 7.697 1.625 1
1 44 . 8 1 1 A 15 15 ARG HA H 15 5.514 4.734 0.780 1
1 51 . 8 1 1 A 15 15 ARG CA C 15 53.646 55.500 -1.854 1
1 52 . 8 1 1 A 15 15 ARG CB C 15 34.426 29.608 4.818 1
1 55 . 8 1 1 A 15 15 ARG N N 15 125.781 124.056 1.725 1
1 56 . 8 1 1 A 16 16 SER H H 16 8.730 8.258 0.472 1
1 57 . 8 1 1 A 16 16 SER HA H 16 4.470 3.984 0.486 1
1 60 . 8 1 1 A 16 16 SER CA C 16 59.017 59.257 -0.240 1
1 61 . 8 1 1 A 16 16 SER CB C 16 19.276 61.482 -42.206 1
1 62 . 8 1 1 A 16 16 SER N N 16 112.631 112.116 0.515 1
1 63 . 8 1 1 A 18 18 GLU H H 18 6.979 8.026 -1.047 1
1 64 . 8 1 1 A 18 18 GLU HA H 18 4.421 4.573 -0.152 1
1 69 . 8 1 1 A 18 18 GLU N N 18 113.293 124.363 -11.070 1
1 70 . 8 1 1 A 19 19 GLY H H 19 6.314 7.873 -1.559 1
1 71 . 8 1 1 A 19 19 GLY HA2 H 19 4.306 3.950 0.356 1
1 72 . 8 1 1 A 19 19 GLY HA3 H 19 3.916 3.975 -0.059 1
1 73 . 8 1 1 A 19 19 GLY CA C 19 45.334 45.753 -0.419 1
1 74 . 8 1 1 A 19 19 GLY N N 19 110.212 108.346 1.866 1
1 75 . 8 1 1 A 20 20 THR H H 20 8.804 7.987 0.817 1
1 76 . 8 1 1 A 20 20 THR HA H 20 4.078 4.274 -0.196 1
1 81 . 8 1 1 A 20 20 THR CA C 20 63.267 65.589 -2.322 1
1 82 . 8 1 1 A 20 20 THR CB C 20 68.097 69.609 -1.512 1
1 84 . 8 1 1 A 20 20 THR N N 20 110.310 113.277 -2.967 1
1 85 . 8 1 1 A 21 21 ASN H H 21 8.752 7.703 1.049 1
1 86 . 8 1 1 A 21 21 ASN HA H 21 4.580 5.116 -0.536 1
1 91 . 8 1 1 A 21 21 ASN CA C 21 52.935 52.399 0.536 1
1 92 . 8 1 1 A 21 21 ASN CB C 21 36.494 39.220 -2.726 1
1 93 . 8 1 1 A 21 21 ASN N N 21 115.437 115.227 0.210 1
1 95 . 8 1 1 A 22 22 TYR H H 22 6.870 8.336 -1.466 1
1 96 . 8 1 1 A 22 22 TYR HA H 22 4.277 4.497 -0.220 1
1 103 . 8 1 1 A 22 22 TYR CA C 22 58.483 60.491 -2.008 1
1 104 . 8 1 1 A 22 22 TYR CB C 22 39.094 37.359 1.735 1
1 109 . 8 1 1 A 22 22 TYR N N 22 118.413 119.883 -1.470 1
1 110 . 8 1 1 A 23 23 ARG H H 23 8.107 7.754 0.353 1
1 111 . 8 1 1 A 23 23 ARG HA H 23 4.135 3.726 0.409 1
1 118 . 8 1 1 A 23 23 ARG CA C 23 56.315 58.657 -2.342 1
1 119 . 8 1 1 A 23 23 ARG CB C 23 30.936 29.567 1.369 1
1 122 . 8 1 1 A 23 23 ARG N N 23 120.620 120.684 -0.064 1
1 123 . 8 1 1 A 24 24 ILE H H 24 8.535 7.336 1.199 1
1 124 . 8 1 1 A 24 24 ILE HA H 24 4.296 3.810 0.486 1
1 134 . 8 1 1 A 24 24 ILE CA C 24 61.695 64.622 -2.927 1
1 135 . 8 1 1 A 24 24 ILE CB C 24 37.876 38.390 -0.514 1
1 139 . 8 1 1 A 24 24 ILE N N 24 121.314 118.326 2.988 1
1 140 . 8 1 1 A 25 25 ILE H H 25 8.995 7.652 1.343 1
1 141 . 8 1 1 A 25 25 ILE HA H 25 4.542 4.492 0.050 1
1 151 . 8 1 1 A 25 25 ILE CA C 25 60.963 59.132 1.831 1
1 152 . 8 1 1 A 25 25 ILE CB C 25 38.523 41.393 -2.870 1
1 156 . 8 1 1 A 25 25 ILE N N 25 121.558 118.579 2.979 1
1 157 . 8 1 1 A 26 26 GLY H H 26 7.396 8.230 -0.834 1
1 158 . 8 1 1 A 26 26 GLY HA2 H 26 4.140 3.973 0.167 1
1 159 . 8 1 1 A 26 26 GLY HA3 H 26 4.002 3.990 0.012 1
1 160 . 8 1 1 A 26 26 GLY CA C 26 44.715 45.924 -1.209 1
1 161 . 8 1 1 A 26 26 GLY N N 26 108.443 111.633 -3.190 1
1 162 . 8 1 1 A 27 27 ALA H H 27 7.996 7.944 0.052 1
1 163 . 8 1 1 A 27 27 ALA HA H 27 5.211 4.479 0.732 1
1 167 . 8 1 1 A 27 27 ALA CA C 27 50.903 50.890 0.013 1
1 168 . 8 1 1 A 27 27 ALA CB C 27 21.348 20.000 1.348 1
1 169 . 8 1 1 A 27 27 ALA N N 27 120.625 123.085 -2.460 1
1 170 . 8 1 1 A 29 29 PRO HA H 29 4.952 4.556 0.396 1
1 177 . 8 1 1 A 29 29 PRO CA C 29 50.614 63.423 -12.809 1
1 178 . 8 1 1 A 29 29 PRO CB C 29 26.144 32.387 -6.243 1
1 181 . 8 1 1 A 32 32 GLN H H 32 9.259 8.412 0.847 1
1 182 . 8 1 1 A 32 32 GLN HA H 32 5.443 3.924 1.519 1
1 183 . 8 1 1 A 32 32 GLN CA C 32 55.719 58.688 -2.969 1
1 184 . 8 1 1 A 32 32 GLN N N 32 116.392 123.376 -6.984 1
1 185 . 8 1 1 A 34 34 VAL H H 34 8.618 7.566 1.052 1
1 186 . 8 1 1 A 34 34 VAL HA H 34 4.132 4.254 -0.122 1
1 194 . 8 1 1 A 34 34 VAL CA C 34 61.096 62.267 -1.171 1
1 195 . 8 1 1 A 34 34 VAL CB C 34 32.009 32.182 -0.173 1
1 198 . 8 1 1 A 34 34 VAL N N 34 122.742 119.205 3.537 1
1 200 . 8 1 1 A 37 37 ILE H H 37 9.258 8.260 0.998 1
1 201 . 8 1 1 A 37 37 ILE HA H 37 3.892 4.016 -0.124 1
1 211 . 8 1 1 A 37 37 ILE CA C 37 63.577 63.356 0.221 1
1 212 . 8 1 1 A 37 37 ILE CB C 37 39.554 38.495 1.059 1
1 216 . 8 1 1 A 37 37 ILE N N 37 129.778 127.823 1.955 1
1 217 . 8 1 1 A 38 38 SER H H 38 7.438 7.765 -0.327 1
1 218 . 8 1 1 A 38 38 SER HA H 38 4.463 4.717 -0.254 1
1 221 . 8 1 1 A 38 38 SER CA C 38 57.098 57.614 -0.516 1
1 222 . 8 1 1 A 38 38 SER CB C 38 63.350 65.421 -2.071 1
1 223 . 8 1 1 A 38 38 SER N N 38 109.846 111.826 -1.980 1
1 224 . 8 1 1 A 39 39 GLU H H 39 8.698 8.582 0.116 1
1 225 . 8 1 1 A 39 39 GLU HA H 39 5.181 4.828 0.353 1
1 230 . 8 1 1 A 39 39 GLU CA C 39 55.046 55.840 -0.794 1
1 231 . 8 1 1 A 39 39 GLU CB C 39 32.339 31.032 1.307 1
1 233 . 8 1 1 A 39 39 GLU N N 39 120.149 121.847 -1.698 1
1 234 . 8 1 1 A 40 40 ASN H H 40 8.802 8.704 0.098 1
1 235 . 8 1 1 A 40 40 ASN HA H 40 4.774 5.088 -0.314 1
1 240 . 8 1 1 A 40 40 ASN CA C 40 54.054 51.966 2.088 1
1 241 . 8 1 1 A 40 40 ASN CB C 40 41.280 40.701 0.579 1
1 242 . 8 1 1 A 40 40 ASN N N 40 119.687 123.693 -4.006 1
1 244 . 8 1 1 A 41 41 SER H H 41 9.138 8.566 0.572 1
1 245 . 8 1 1 A 41 41 SER HA H 41 4.054 4.453 -0.399 1
1 248 . 8 1 1 A 41 41 SER CA C 41 58.464 58.733 -0.269 1
1 249 . 8 1 1 A 41 41 SER CB C 41 61.911 62.093 -0.182 1
1 250 . 8 1 1 A 41 41 SER N N 41 118.754 114.736 4.018 1
1 251 . 8 1 1 A 42 42 GLY H H 42 8.411 8.665 -0.254 1
1 252 . 8 1 1 A 42 42 GLY HA2 H 42 4.080 3.874 0.206 1
1 253 . 8 1 1 A 42 42 GLY HA3 H 42 3.419 3.998 -0.579 1
1 254 . 8 1 1 A 42 42 GLY CA C 42 45.042 45.430 -0.388 1
1 255 . 8 1 1 A 42 42 GLY N N 42 105.488 111.503 -6.015 1
1 256 . 8 1 1 A 43 43 TRP H H 43 8.216 7.839 0.377 1
1 257 . 8 1 1 A 43 43 TRP HA H 43 5.046 5.009 0.037 1
1 266 . 8 1 1 A 43 43 TRP CA C 43 56.182 56.260 -0.078 1
1 267 . 8 1 1 A 43 43 TRP CB C 43 32.162 32.449 -0.287 1
1 273 . 8 1 1 A 43 43 TRP N N 43 122.262 121.379 0.883 1
1 275 . 8 1 1 A 44 44 SER H H 44 10.151 9.542 0.609 1
1 276 . 8 1 1 A 44 44 SER HA H 44 5.028 5.136 -0.108 1
1 279 . 8 1 1 A 44 44 SER CA C 44 58.463 57.775 0.688 1
1 280 . 8 1 1 A 44 44 SER CB C 44 64.198 64.305 -0.107 1
1 281 . 8 1 1 A 44 44 SER N N 44 122.494 117.968 4.526 1
1 282 . 8 1 1 A 45 45 LYS H H 45 8.905 8.808 0.097 1
1 283 . 8 1 1 A 45 45 LYS HA H 45 4.474 4.840 -0.366 1
1 292 . 8 1 1 A 45 45 LYS CA C 45 55.039 56.329 -1.290 1
1 293 . 8 1 1 A 45 45 LYS CB C 45 33.755 33.416 0.339 1
1 297 . 8 1 1 A 45 45 LYS N N 45 128.116 128.129 -0.013 1
1 298 . 8 1 1 A 46 46 ILE H H 46 8.912 8.822 0.090 1
1 299 . 8 1 1 A 46 46 ILE HA H 46 4.974 4.911 0.063 1
1 309 . 8 1 1 A 46 46 ILE CA C 46 58.570 58.551 0.019 1
1 310 . 8 1 1 A 46 46 ILE CB C 46 42.651 42.322 0.329 1
1 314 . 8 1 1 A 46 46 ILE N N 46 119.419 120.612 -1.193 1
1 315 . 8 1 1 A 47 47 ASN H H 47 8.855 8.936 -0.081 1
1 316 . 8 1 1 A 47 47 ASN HA H 47 5.016 5.354 -0.338 1
1 321 . 8 1 1 A 47 47 ASN CA C 47 52.281 51.401 0.880 1
1 322 . 8 1 1 A 47 47 ASN CB C 47 39.208 40.496 -1.288 1
1 323 . 8 1 1 A 47 47 ASN N N 47 119.209 121.948 -2.739 1
1 325 . 8 1 1 A 48 48 TYR H H 48 9.147 9.201 -0.054 1
1 326 . 8 1 1 A 48 48 TYR HA H 48 4.647 4.832 -0.185 1
1 333 . 8 1 1 A 48 48 TYR CA C 48 56.347 57.525 -1.178 1
1 334 . 8 1 1 A 48 48 TYR CB C 48 39.210 40.686 -1.476 1
1 339 . 8 1 1 A 48 48 TYR N N 48 126.582 128.276 -1.694 1
1 340 . 8 1 1 A 49 49 ASN H H 49 8.807 9.123 -0.316 1
1 341 . 8 1 1 A 49 49 ASN HA H 49 4.110 4.276 -0.166 1
1 346 . 8 1 1 A 49 49 ASN CA C 49 53.309 53.942 -0.633 1
1 347 . 8 1 1 A 49 49 ASN CB C 49 37.118 37.400 -0.282 1
1 348 . 8 1 1 A 49 49 ASN N N 49 125.133 126.194 -1.061 1
1 350 . 8 1 1 A 50 50 GLY H H 50 8.202 8.386 -0.184 1
1 351 . 8 1 1 A 50 50 GLY HA2 H 50 4.149 3.818 0.331 1
1 352 . 8 1 1 A 50 50 GLY HA3 H 50 3.626 3.818 -0.192 1
1 353 . 8 1 1 A 50 50 GLY CA C 50 45.402 45.339 0.063 1
1 354 . 8 1 1 A 50 50 GLY N N 50 104.198 104.031 0.167 1
1 355 . 8 1 1 A 51 51 GLN H H 51 7.799 7.571 0.228 1
1 356 . 8 1 1 A 51 51 GLN HA H 51 4.651 4.748 -0.097 1
1 363 . 8 1 1 A 51 51 GLN CA C 51 53.530 54.777 -1.247 1
1 364 . 8 1 1 A 51 51 GLN CB C 51 31.653 30.852 0.801 1
1 366 . 8 1 1 A 51 51 GLN N N 51 119.235 117.752 1.483 1
1 368 . 8 1 1 A 52 52 THR H H 52 8.491 8.551 -0.060 1
1 369 . 8 1 1 A 52 52 THR HA H 52 4.546 4.646 -0.100 1
1 374 . 8 1 1 A 52 52 THR CA C 52 62.631 60.681 1.950 1
1 375 . 8 1 1 A 52 52 THR CB C 52 69.224 69.509 -0.285 1
1 377 . 8 1 1 A 52 52 THR N N 52 118.279 119.081 -0.802 1
1 378 . 8 1 1 A 53 53 GLY H H 53 8.406 8.372 0.034 1
1 379 . 8 1 1 A 53 53 GLY HA2 H 53 4.588 4.104 0.484 1
1 380 . 8 1 1 A 53 53 GLY HA3 H 53 3.115 4.186 -1.071 1
1 381 . 8 1 1 A 53 53 GLY CA C 53 43.338 45.015 -1.677 1
1 382 . 8 1 1 A 53 53 GLY N N 53 111.718 112.324 -0.606 1
1 383 . 8 1 1 A 54 54 TYR H H 54 8.734 8.295 0.439 1
1 384 . 8 1 1 A 54 54 TYR HA H 54 5.667 5.634 0.033 1
1 391 . 8 1 1 A 54 54 TYR CA C 54 56.403 56.560 -0.157 1
1 392 . 8 1 1 A 54 54 TYR CB C 54 41.962 43.563 -1.601 1
1 397 . 8 1 1 A 54 54 TYR N N 54 116.106 118.736 -2.630 1
1 398 . 8 1 1 A 55 55 ILE H H 55 9.160 9.062 0.098 1
1 399 . 8 1 1 A 55 55 ILE HA H 55 5.318 4.608 0.710 1
1 409 . 8 1 1 A 55 55 ILE CA C 55 58.471 59.218 -0.747 1
1 410 . 8 1 1 A 55 55 ILE CB C 55 42.618 41.635 0.983 1
1 414 . 8 1 1 A 55 55 ILE N N 55 115.023 116.782 -1.759 1
1 415 . 8 1 1 A 56 56 GLY H H 56 9.066 8.280 0.786 1
1 416 . 8 1 1 A 56 56 GLY HA2 H 56 3.612 4.076 -0.464 1
1 417 . 8 1 1 A 56 56 GLY HA3 H 56 3.164 4.175 -1.011 1
1 418 . 8 1 1 A 56 56 GLY CA C 56 46.091 45.755 0.336 1
1 419 . 8 1 1 A 56 56 GLY N N 56 111.661 109.570 2.091 1
1 420 . 8 1 1 A 57 57 THR H H 57 8.142 8.769 -0.627 1
1 421 . 8 1 1 A 57 57 THR HA H 57 3.436 4.135 -0.699 1
1 426 . 8 1 1 A 57 57 THR CA C 57 65.333 65.303 0.030 1
1 427 . 8 1 1 A 57 57 THR CB C 57 68.778 68.333 0.445 1
1 429 . 8 1 1 A 57 57 THR N N 57 124.844 118.440 6.404 1
1 430 . 8 1 1 A 58 58 ARG H H 58 8.261 8.059 0.202 1
1 431 . 8 1 1 A 58 58 ARG HA H 58 3.990 4.150 -0.160 1
1 438 . 8 1 1 A 58 58 ARG CA C 58 57.045 59.468 -2.423 1
1 439 . 8 1 1 A 58 58 ARG CB C 58 28.213 30.587 -2.374 1
1 442 . 8 1 1 A 58 58 ARG N N 58 116.486 119.311 -2.825 1
1 443 . 8 1 1 A 59 59 TYR H H 59 7.298 7.370 -0.072 1
1 444 . 8 1 1 A 59 59 TYR HA H 59 4.775 5.363 -0.588 1
1 451 . 8 1 1 A 59 59 TYR CA C 59 53.961 56.928 -2.967 1
1 452 . 8 1 1 A 59 59 TYR CB C 59 38.522 41.136 -2.614 1
1 457 . 8 1 1 A 59 59 TYR N N 59 118.931 115.651 3.280 1
1 458 . 8 1 1 A 60 60 LEU H H 60 7.430 8.853 -1.423 1
1 459 . 8 1 1 A 60 60 LEU HA H 60 5.028 4.941 0.087 1
1 469 . 8 1 1 A 60 60 LEU CA C 60 52.950 54.312 -1.362 1
1 470 . 8 1 1 A 60 60 LEU CB C 60 44.020 45.767 -1.747 1
1 474 . 8 1 1 A 60 60 LEU N N 60 118.281 125.126 -6.845 1
1 475 . 8 1 1 A 61 61 SER H H 61 8.959 8.848 0.111 1
1 476 . 8 1 1 A 61 61 SER HA H 61 4.894 4.866 0.028 1
1 479 . 8 1 1 A 61 61 SER CA C 61 56.428 58.504 -2.076 1
1 480 . 8 1 1 A 61 61 SER CB C 61 65.345 63.758 1.587 1
1 481 . 8 1 1 A 61 61 SER N N 61 115.830 123.829 -7.999 1
1 482 . 8 1 1 A 62 62 LYS H H 62 8.872 8.379 0.493 1
1 483 . 8 1 1 A 62 62 LYS HA H 62 3.960 4.693 -0.733 1
1 492 . 8 1 1 A 62 62 LYS CA C 62 57.079 54.252 2.827 1
1 493 . 8 1 1 A 62 62 LYS CB C 62 33.016 35.485 -2.469 1
1 497 . 8 1 1 A 62 62 LYS N N 62 125.311 126.808 -1.497 1
1 498 . 8 1 1 A 63 63 LEU H H 63 7.997 9.053 -1.056 1
1 499 . 8 1 1 A 63 63 LEU HA H 63 4.328 3.958 0.370 1
1 509 . 8 1 1 A 63 63 LEU CA C 63 54.323 57.666 -3.343 1
1 510 . 8 1 1 A 63 63 LEU CB C 63 42.672 42.075 0.597 1
1 514 . 8 1 1 A 63 63 LEU N N 63 121.820 123.891 -2.071 1
1 515 . 8 1 1 A 64 64 GLU H H 64 8.274 8.108 0.166 1
1 1 . 9 1 1 A 3 3 GLY H H 3 8.337 8.370 -0.033 1
1 2 . 9 1 1 A 3 3 GLY HA2 H 3 4.308 3.934 0.374 1
1 3 . 9 1 1 A 3 3 GLY HA3 H 3 3.880 3.941 -0.061 1
1 4 . 9 1 1 A 3 3 GLY CA C 3 44.714 46.186 -1.472 1
1 5 . 9 1 1 A 4 4 ASP H H 4 8.223 8.041 0.182 1
1 6 . 9 1 1 A 4 4 ASP HA H 4 5.315 4.207 1.108 1
1 9 . 9 1 1 A 4 4 ASP CA C 4 58.458 55.225 3.233 1
1 10 . 9 1 1 A 4 4 ASP CB C 4 41.275 39.065 2.210 1
1 11 . 9 1 1 A 4 4 ASP N N 4 119.687 115.481 4.206 1
1 12 . 9 1 1 A 8 8 ASN H H 8 9.232 8.485 0.747 1
1 13 . 9 1 1 A 8 8 ASN HA H 8 5.076 4.606 0.470 1
1 16 . 9 1 1 A 8 8 ASN CA C 8 52.276 53.950 -1.674 1
1 17 . 9 1 1 A 8 8 ASN CB C 8 38.566 37.091 1.475 1
1 18 . 9 1 1 A 8 8 ASN N N 8 129.984 124.631 5.353 1
1 19 . 9 1 1 A 13 13 ASN H H 13 8.616 8.221 0.395 1
1 20 . 9 1 1 A 13 13 ASN HA H 13 5.024 4.980 0.044 1
1 25 . 9 1 1 A 13 13 ASN CA C 13 52.945 54.458 -1.513 1
1 26 . 9 1 1 A 13 13 ASN CB C 13 39.596 40.630 -1.034 1
1 27 . 9 1 1 A 13 13 ASN N N 13 122.544 121.520 1.024 1
1 29 . 9 1 1 A 14 14 VAL H H 14 8.619 7.938 0.681 1
1 30 . 9 1 1 A 14 14 VAL HA H 14 4.133 4.411 -0.278 1
1 38 . 9 1 1 A 14 14 VAL CA C 14 61.096 61.455 -0.359 1
1 39 . 9 1 1 A 14 14 VAL CB C 14 32.009 30.455 1.554 1
1 42 . 9 1 1 A 14 14 VAL N N 14 122.742 118.612 4.130 1
1 43 . 9 1 1 A 15 15 ARG H H 15 9.322 7.838 1.484 1
1 44 . 9 1 1 A 15 15 ARG HA H 15 5.514 4.428 1.086 1
1 51 . 9 1 1 A 15 15 ARG CA C 15 53.646 55.432 -1.786 1
1 52 . 9 1 1 A 15 15 ARG CB C 15 34.426 29.553 4.873 1
1 55 . 9 1 1 A 15 15 ARG N N 15 125.781 123.956 1.825 1
1 56 . 9 1 1 A 16 16 SER H H 16 8.730 8.227 0.503 1
1 57 . 9 1 1 A 16 16 SER HA H 16 4.470 3.962 0.508 1
1 60 . 9 1 1 A 16 16 SER CA C 16 59.017 59.159 -0.142 1
1 61 . 9 1 1 A 16 16 SER CB C 16 19.276 60.881 -41.605 1
1 62 . 9 1 1 A 16 16 SER N N 16 112.631 113.144 -0.513 1
1 63 . 9 1 1 A 18 18 GLU H H 18 6.979 8.893 -1.914 1
1 64 . 9 1 1 A 18 18 GLU HA H 18 4.421 4.289 0.132 1
1 69 . 9 1 1 A 18 18 GLU N N 18 113.293 126.312 -13.019 1
1 70 . 9 1 1 A 19 19 GLY H H 19 6.314 7.833 -1.519 1
1 71 . 9 1 1 A 19 19 GLY HA2 H 19 4.306 4.264 0.042 1
1 72 . 9 1 1 A 19 19 GLY HA3 H 19 3.916 4.281 -0.365 1
1 73 . 9 1 1 A 19 19 GLY CA C 19 45.334 45.771 -0.437 1
1 74 . 9 1 1 A 19 19 GLY N N 19 110.212 105.746 4.466 1
1 75 . 9 1 1 A 20 20 THR H H 20 8.804 7.798 1.006 1
1 76 . 9 1 1 A 20 20 THR HA H 20 4.078 4.018 0.060 1
1 81 . 9 1 1 A 20 20 THR CA C 20 63.267 65.864 -2.597 1
1 82 . 9 1 1 A 20 20 THR CB C 20 68.097 68.772 -0.675 1
1 84 . 9 1 1 A 20 20 THR N N 20 110.310 114.948 -4.638 1
1 85 . 9 1 1 A 21 21 ASN H H 21 8.752 8.287 0.465 1
1 86 . 9 1 1 A 21 21 ASN HA H 21 4.580 4.803 -0.223 1
1 91 . 9 1 1 A 21 21 ASN CA C 21 52.935 52.505 0.430 1
1 92 . 9 1 1 A 21 21 ASN CB C 21 36.494 38.396 -1.902 1
1 93 . 9 1 1 A 21 21 ASN N N 21 115.437 116.554 -1.117 1
1 95 . 9 1 1 A 22 22 TYR H H 22 6.870 8.271 -1.401 1
1 96 . 9 1 1 A 22 22 TYR HA H 22 4.277 4.381 -0.104 1
1 103 . 9 1 1 A 22 22 TYR CA C 22 58.483 58.979 -0.496 1
1 104 . 9 1 1 A 22 22 TYR CB C 22 39.094 37.647 1.447 1
1 109 . 9 1 1 A 22 22 TYR N N 22 118.413 123.183 -4.770 1
1 110 . 9 1 1 A 23 23 ARG H H 23 8.107 8.028 0.079 1
1 111 . 9 1 1 A 23 23 ARG HA H 23 4.135 3.962 0.173 1
1 118 . 9 1 1 A 23 23 ARG CA C 23 56.315 58.716 -2.401 1
1 119 . 9 1 1 A 23 23 ARG CB C 23 30.936 29.470 1.466 1
1 122 . 9 1 1 A 23 23 ARG N N 23 120.620 121.004 -0.384 1
1 123 . 9 1 1 A 24 24 ILE H H 24 8.535 7.358 1.177 1
1 124 . 9 1 1 A 24 24 ILE HA H 24 4.296 3.943 0.353 1
1 134 . 9 1 1 A 24 24 ILE CA C 24 61.695 63.739 -2.044 1
1 135 . 9 1 1 A 24 24 ILE CB C 24 37.876 37.808 0.068 1
1 139 . 9 1 1 A 24 24 ILE N N 24 121.314 112.925 8.389 1
1 140 . 9 1 1 A 25 25 ILE H H 25 8.995 7.636 1.359 1
1 141 . 9 1 1 A 25 25 ILE HA H 25 4.542 4.446 0.096 1
1 151 . 9 1 1 A 25 25 ILE CA C 25 60.963 59.408 1.555 1
1 152 . 9 1 1 A 25 25 ILE CB C 25 38.523 40.879 -2.356 1
1 156 . 9 1 1 A 25 25 ILE N N 25 121.558 120.704 0.854 1
1 157 . 9 1 1 A 26 26 GLY H H 26 7.396 8.401 -1.005 1
1 158 . 9 1 1 A 26 26 GLY HA2 H 26 4.140 4.034 0.106 1
1 159 . 9 1 1 A 26 26 GLY HA3 H 26 4.002 4.041 -0.039 1
1 160 . 9 1 1 A 26 26 GLY CA C 26 44.715 46.327 -1.612 1
1 161 . 9 1 1 A 26 26 GLY N N 26 108.443 114.476 -6.033 1
1 162 . 9 1 1 A 27 27 ALA H H 27 7.996 7.903 0.093 1
1 163 . 9 1 1 A 27 27 ALA HA H 27 5.211 4.585 0.626 1
1 167 . 9 1 1 A 27 27 ALA CA C 27 50.903 51.659 -0.756 1
1 168 . 9 1 1 A 27 27 ALA CB C 27 21.348 20.360 0.988 1
1 169 . 9 1 1 A 27 27 ALA N N 27 120.625 120.464 0.161 1
1 170 . 9 1 1 A 29 29 PRO HA H 29 4.952 4.525 0.427 1
1 177 . 9 1 1 A 29 29 PRO CA C 29 50.614 63.817 -13.203 1
1 178 . 9 1 1 A 29 29 PRO CB C 29 26.144 31.525 -5.381 1
1 181 . 9 1 1 A 32 32 GLN H H 32 9.259 8.523 0.736 1
1 182 . 9 1 1 A 32 32 GLN HA H 32 5.443 4.608 0.835 1
1 183 . 9 1 1 A 32 32 GLN CA C 32 55.719 56.618 -0.899 1
1 184 . 9 1 1 A 32 32 GLN N N 32 116.392 120.103 -3.711 1
1 185 . 9 1 1 A 34 34 VAL H H 34 8.618 7.412 1.206 1
1 186 . 9 1 1 A 34 34 VAL HA H 34 4.132 4.211 -0.079 1
1 194 . 9 1 1 A 34 34 VAL CA C 34 61.096 61.509 -0.413 1
1 195 . 9 1 1 A 34 34 VAL CB C 34 32.009 30.538 1.471 1
1 198 . 9 1 1 A 34 34 VAL N N 34 122.742 122.282 0.460 1
1 200 . 9 1 1 A 37 37 ILE H H 37 9.258 8.054 1.204 1
1 201 . 9 1 1 A 37 37 ILE HA H 37 3.892 3.987 -0.095 1
1 211 . 9 1 1 A 37 37 ILE CA C 37 63.577 63.399 0.178 1
1 212 . 9 1 1 A 37 37 ILE CB C 37 39.554 38.624 0.930 1
1 216 . 9 1 1 A 37 37 ILE N N 37 129.778 125.557 4.221 1
1 217 . 9 1 1 A 38 38 SER H H 38 7.438 7.943 -0.505 1
1 218 . 9 1 1 A 38 38 SER HA H 38 4.463 4.919 -0.456 1
1 221 . 9 1 1 A 38 38 SER CA C 38 57.098 57.184 -0.086 1
1 222 . 9 1 1 A 38 38 SER CB C 38 63.350 66.859 -3.509 1
1 223 . 9 1 1 A 38 38 SER N N 38 109.846 112.234 -2.388 1
1 224 . 9 1 1 A 39 39 GLU H H 39 8.698 8.512 0.186 1
1 225 . 9 1 1 A 39 39 GLU HA H 39 5.181 5.489 -0.308 1
1 230 . 9 1 1 A 39 39 GLU CA C 39 55.046 54.867 0.179 1
1 231 . 9 1 1 A 39 39 GLU CB C 39 32.339 33.219 -0.880 1
1 233 . 9 1 1 A 39 39 GLU N N 39 120.149 119.896 0.253 1
1 234 . 9 1 1 A 40 40 ASN H H 40 8.802 9.120 -0.318 1
1 235 . 9 1 1 A 40 40 ASN HA H 40 4.774 5.003 -0.229 1
1 240 . 9 1 1 A 40 40 ASN CA C 40 54.054 53.218 0.836 1
1 241 . 9 1 1 A 40 40 ASN CB C 40 41.280 41.179 0.101 1
1 242 . 9 1 1 A 40 40 ASN N N 40 119.687 121.179 -1.492 1
1 244 . 9 1 1 A 41 41 SER H H 41 9.138 9.368 -0.230 1
1 245 . 9 1 1 A 41 41 SER HA H 41 4.054 4.095 -0.041 1
1 248 . 9 1 1 A 41 41 SER CA C 41 58.464 59.219 -0.755 1
1 249 . 9 1 1 A 41 41 SER CB C 41 61.911 62.223 -0.312 1
1 250 . 9 1 1 A 41 41 SER N N 41 118.754 121.651 -2.897 1
1 251 . 9 1 1 A 42 42 GLY H H 42 8.411 8.436 -0.025 1
1 252 . 9 1 1 A 42 42 GLY HA2 H 42 4.080 3.946 0.134 1
1 253 . 9 1 1 A 42 42 GLY HA3 H 42 3.419 4.014 -0.595 1
1 254 . 9 1 1 A 42 42 GLY CA C 42 45.042 45.178 -0.136 1
1 255 . 9 1 1 A 42 42 GLY N N 42 105.488 106.269 -0.781 1
1 256 . 9 1 1 A 43 43 TRP H H 43 8.216 7.441 0.775 1
1 257 . 9 1 1 A 43 43 TRP HA H 43 5.046 4.824 0.222 1
1 266 . 9 1 1 A 43 43 TRP CA C 43 56.182 57.489 -1.307 1
1 267 . 9 1 1 A 43 43 TRP CB C 43 32.162 30.997 1.165 1
1 273 . 9 1 1 A 43 43 TRP N N 43 122.262 121.498 0.764 1
1 275 . 9 1 1 A 44 44 SER H H 44 10.151 9.689 0.462 1
1 276 . 9 1 1 A 44 44 SER HA H 44 5.028 5.093 -0.065 1
1 279 . 9 1 1 A 44 44 SER CA C 44 58.463 58.001 0.462 1
1 280 . 9 1 1 A 44 44 SER CB C 44 64.198 64.598 -0.400 1
1 281 . 9 1 1 A 44 44 SER N N 44 122.494 118.221 4.273 1
1 282 . 9 1 1 A 45 45 LYS H H 45 8.905 9.382 -0.477 1
1 283 . 9 1 1 A 45 45 LYS HA H 45 4.474 4.500 -0.026 1
1 292 . 9 1 1 A 45 45 LYS CA C 45 55.039 56.299 -1.260 1
1 293 . 9 1 1 A 45 45 LYS CB C 45 33.755 32.576 1.179 1
1 297 . 9 1 1 A 45 45 LYS N N 45 128.116 124.033 4.083 1
1 298 . 9 1 1 A 46 46 ILE H H 46 8.912 8.721 0.191 1
1 299 . 9 1 1 A 46 46 ILE HA H 46 4.974 4.933 0.041 1
1 309 . 9 1 1 A 46 46 ILE CA C 46 58.570 58.580 -0.010 1
1 310 . 9 1 1 A 46 46 ILE CB C 46 42.651 42.292 0.359 1
1 314 . 9 1 1 A 46 46 ILE N N 46 119.419 118.908 0.511 1
1 315 . 9 1 1 A 47 47 ASN H H 47 8.855 8.918 -0.063 1
1 316 . 9 1 1 A 47 47 ASN HA H 47 5.016 5.485 -0.469 1
1 321 . 9 1 1 A 47 47 ASN CA C 47 52.281 51.723 0.558 1
1 322 . 9 1 1 A 47 47 ASN CB C 47 39.208 41.446 -2.238 1
1 323 . 9 1 1 A 47 47 ASN N N 47 119.209 121.635 -2.426 1
1 325 . 9 1 1 A 48 48 TYR H H 48 9.147 9.160 -0.013 1
1 326 . 9 1 1 A 48 48 TYR HA H 48 4.647 4.862 -0.215 1
1 333 . 9 1 1 A 48 48 TYR CA C 48 56.347 57.511 -1.164 1
1 334 . 9 1 1 A 48 48 TYR CB C 48 39.210 41.075 -1.865 1
1 339 . 9 1 1 A 48 48 TYR N N 48 126.582 127.995 -1.413 1
1 340 . 9 1 1 A 49 49 ASN H H 49 8.807 9.215 -0.408 1
1 341 . 9 1 1 A 49 49 ASN HA H 49 4.110 4.284 -0.174 1
1 346 . 9 1 1 A 49 49 ASN CA C 49 53.309 54.276 -0.967 1
1 347 . 9 1 1 A 49 49 ASN CB C 49 37.118 37.223 -0.105 1
1 348 . 9 1 1 A 49 49 ASN N N 49 125.133 124.319 0.814 1
1 350 . 9 1 1 A 50 50 GLY H H 50 8.202 7.848 0.354 1
1 351 . 9 1 1 A 50 50 GLY HA2 H 50 4.149 3.823 0.326 1
1 352 . 9 1 1 A 50 50 GLY HA3 H 50 3.626 3.825 -0.199 1
1 353 . 9 1 1 A 50 50 GLY CA C 50 45.402 45.359 0.043 1
1 354 . 9 1 1 A 50 50 GLY N N 50 104.198 104.465 -0.267 1
1 355 . 9 1 1 A 51 51 GLN H H 51 7.799 7.693 0.106 1
1 356 . 9 1 1 A 51 51 GLN HA H 51 4.651 4.448 0.203 1
1 363 . 9 1 1 A 51 51 GLN CA C 51 53.530 55.267 -1.737 1
1 364 . 9 1 1 A 51 51 GLN CB C 51 31.653 29.857 1.796 1
1 366 . 9 1 1 A 51 51 GLN N N 51 119.235 119.962 -0.727 1
1 368 . 9 1 1 A 52 52 THR H H 52 8.491 8.587 -0.096 1
1 369 . 9 1 1 A 52 52 THR HA H 52 4.546 4.481 0.065 1
1 374 . 9 1 1 A 52 52 THR CA C 52 62.631 62.213 0.418 1
1 375 . 9 1 1 A 52 52 THR CB C 52 69.224 68.697 0.527 1
1 377 . 9 1 1 A 52 52 THR N N 52 118.279 119.190 -0.911 1
1 378 . 9 1 1 A 53 53 GLY H H 53 8.406 8.706 -0.300 1
1 379 . 9 1 1 A 53 53 GLY HA2 H 53 4.588 4.331 0.257 1
1 380 . 9 1 1 A 53 53 GLY HA3 H 53 3.115 4.377 -1.262 1
1 381 . 9 1 1 A 53 53 GLY CA C 53 43.338 44.403 -1.065 1
1 382 . 9 1 1 A 53 53 GLY N N 53 111.718 113.371 -1.653 1
1 383 . 9 1 1 A 54 54 TYR H H 54 8.734 8.497 0.237 1
1 384 . 9 1 1 A 54 54 TYR HA H 54 5.667 5.953 -0.286 1
1 391 . 9 1 1 A 54 54 TYR CA C 54 56.403 56.469 -0.066 1
1 392 . 9 1 1 A 54 54 TYR CB C 54 41.962 43.394 -1.432 1
1 397 . 9 1 1 A 54 54 TYR N N 54 116.106 118.764 -2.658 1
1 398 . 9 1 1 A 55 55 ILE H H 55 9.160 8.503 0.657 1
1 399 . 9 1 1 A 55 55 ILE HA H 55 5.318 4.465 0.853 1
1 409 . 9 1 1 A 55 55 ILE CA C 55 58.471 59.101 -0.630 1
1 410 . 9 1 1 A 55 55 ILE CB C 55 42.618 41.746 0.872 1
1 414 . 9 1 1 A 55 55 ILE N N 55 115.023 116.489 -1.466 1
1 415 . 9 1 1 A 56 56 GLY H H 56 9.066 8.528 0.538 1
1 416 . 9 1 1 A 56 56 GLY HA2 H 56 3.612 4.135 -0.523 1
1 417 . 9 1 1 A 56 56 GLY HA3 H 56 3.164 4.238 -1.074 1
1 418 . 9 1 1 A 56 56 GLY CA C 56 46.091 45.504 0.587 1
1 419 . 9 1 1 A 56 56 GLY N N 56 111.661 109.447 2.214 1
1 420 . 9 1 1 A 57 57 THR H H 57 8.142 8.799 -0.657 1
1 421 . 9 1 1 A 57 57 THR HA H 57 3.436 4.024 -0.588 1
1 426 . 9 1 1 A 57 57 THR CA C 57 65.333 65.928 -0.595 1
1 427 . 9 1 1 A 57 57 THR CB C 57 68.778 68.811 -0.033 1
1 429 . 9 1 1 A 57 57 THR N N 57 124.844 118.637 6.207 1
1 430 . 9 1 1 A 58 58 ARG H H 58 8.261 8.144 0.117 1
1 431 . 9 1 1 A 58 58 ARG HA H 58 3.990 4.150 -0.160 1
1 438 . 9 1 1 A 58 58 ARG CA C 58 57.045 59.548 -2.503 1
1 439 . 9 1 1 A 58 58 ARG CB C 58 28.213 30.315 -2.102 1
1 442 . 9 1 1 A 58 58 ARG N N 58 116.486 118.511 -2.025 1
1 443 . 9 1 1 A 59 59 TYR H H 59 7.298 7.934 -0.636 1
1 444 . 9 1 1 A 59 59 TYR HA H 59 4.775 5.339 -0.564 1
1 451 . 9 1 1 A 59 59 TYR CA C 59 53.961 56.340 -2.379 1
1 452 . 9 1 1 A 59 59 TYR CB C 59 38.522 40.403 -1.881 1
1 457 . 9 1 1 A 59 59 TYR N N 59 118.931 116.201 2.730 1
1 458 . 9 1 1 A 60 60 LEU H H 60 7.430 8.829 -1.399 1
1 459 . 9 1 1 A 60 60 LEU HA H 60 5.028 5.047 -0.019 1
1 469 . 9 1 1 A 60 60 LEU CA C 60 52.950 53.471 -0.521 1
1 470 . 9 1 1 A 60 60 LEU CB C 60 44.020 46.211 -2.191 1
1 474 . 9 1 1 A 60 60 LEU N N 60 118.281 125.372 -7.091 1
1 475 . 9 1 1 A 61 61 SER H H 61 8.959 8.647 0.312 1
1 476 . 9 1 1 A 61 61 SER HA H 61 4.894 5.059 -0.165 1
1 479 . 9 1 1 A 61 61 SER CA C 61 56.428 58.308 -1.880 1
1 480 . 9 1 1 A 61 61 SER CB C 61 65.345 63.954 1.391 1
1 481 . 9 1 1 A 61 61 SER N N 61 115.830 117.288 -1.458 1
1 482 . 9 1 1 A 62 62 LYS H H 62 8.872 8.484 0.388 1
1 483 . 9 1 1 A 62 62 LYS HA H 62 3.960 4.548 -0.588 1
1 492 . 9 1 1 A 62 62 LYS CA C 62 57.079 54.911 2.168 1
1 493 . 9 1 1 A 62 62 LYS CB C 62 33.016 34.258 -1.242 1
1 497 . 9 1 1 A 62 62 LYS N N 62 125.311 127.779 -2.468 1
1 498 . 9 1 1 A 63 63 LEU H H 63 7.997 8.565 -0.568 1
1 499 . 9 1 1 A 63 63 LEU HA H 63 4.328 3.942 0.386 1
1 509 . 9 1 1 A 63 63 LEU CA C 63 54.323 57.230 -2.907 1
1 510 . 9 1 1 A 63 63 LEU CB C 63 42.672 41.721 0.951 1
1 514 . 9 1 1 A 63 63 LEU N N 63 121.820 126.203 -4.383 1
1 515 . 9 1 1 A 64 64 GLU H H 64 8.274 7.483 0.791 1
1 1 . 10 1 1 A 3 3 GLY H H 3 8.337 8.229 0.108 1
1 2 . 10 1 1 A 3 3 GLY HA2 H 3 4.308 4.217 0.091 1
1 3 . 10 1 1 A 3 3 GLY HA3 H 3 3.880 4.251 -0.371 1
1 4 . 10 1 1 A 3 3 GLY CA C 3 44.714 45.667 -0.953 1
1 5 . 10 1 1 A 4 4 ASP H H 4 8.223 8.227 -0.004 1
1 6 . 10 1 1 A 4 4 ASP HA H 4 5.315 4.497 0.818 1
1 9 . 10 1 1 A 4 4 ASP CA C 4 58.458 55.137 3.321 1
1 10 . 10 1 1 A 4 4 ASP CB C 4 41.275 39.849 1.426 1
1 11 . 10 1 1 A 4 4 ASP N N 4 119.687 114.183 5.504 1
1 12 . 10 1 1 A 8 8 ASN H H 8 9.232 8.025 1.207 1
1 13 . 10 1 1 A 8 8 ASN HA H 8 5.076 5.438 -0.362 1
1 16 . 10 1 1 A 8 8 ASN CA C 8 52.276 52.203 0.073 1
1 17 . 10 1 1 A 8 8 ASN CB C 8 38.566 41.870 -3.304 1
1 18 . 10 1 1 A 8 8 ASN N N 8 129.984 126.516 3.468 1
1 19 . 10 1 1 A 13 13 ASN H H 13 8.616 8.144 0.472 1
1 20 . 10 1 1 A 13 13 ASN HA H 13 5.024 4.844 0.180 1
1 25 . 10 1 1 A 13 13 ASN CA C 13 52.945 53.483 -0.538 1
1 26 . 10 1 1 A 13 13 ASN CB C 13 39.596 39.087 0.509 1
1 27 . 10 1 1 A 13 13 ASN N N 13 122.544 115.976 6.568 1
1 29 . 10 1 1 A 14 14 VAL H H 14 8.619 7.283 1.336 1
1 30 . 10 1 1 A 14 14 VAL HA H 14 4.133 4.361 -0.228 1
1 38 . 10 1 1 A 14 14 VAL CA C 14 61.096 61.817 -0.721 1
1 39 . 10 1 1 A 14 14 VAL CB C 14 32.009 31.599 0.410 1
1 42 . 10 1 1 A 14 14 VAL N N 14 122.742 118.758 3.984 1
1 43 . 10 1 1 A 15 15 ARG H H 15 9.322 7.642 1.680 1
1 44 . 10 1 1 A 15 15 ARG HA H 15 5.514 4.397 1.117 1
1 51 . 10 1 1 A 15 15 ARG CA C 15 53.646 56.716 -3.070 1
1 52 . 10 1 1 A 15 15 ARG CB C 15 34.426 30.840 3.586 1
1 55 . 10 1 1 A 15 15 ARG N N 15 125.781 124.264 1.517 1
1 56 . 10 1 1 A 16 16 SER H H 16 8.730 8.081 0.649 1
1 57 . 10 1 1 A 16 16 SER HA H 16 4.470 4.382 0.088 1
1 60 . 10 1 1 A 16 16 SER CA C 16 59.017 59.279 -0.262 1
1 61 . 10 1 1 A 16 16 SER CB C 16 19.276 62.391 -43.115 1
1 62 . 10 1 1 A 16 16 SER N N 16 112.631 114.228 -1.597 1
1 63 . 10 1 1 A 18 18 GLU H H 18 6.979 8.692 -1.713 1
1 64 . 10 1 1 A 18 18 GLU HA H 18 4.421 4.622 -0.201 1
1 69 . 10 1 1 A 18 18 GLU N N 18 113.293 122.463 -9.170 1
1 70 . 10 1 1 A 19 19 GLY H H 19 6.314 8.298 -1.984 1
1 71 . 10 1 1 A 19 19 GLY HA2 H 19 4.306 4.147 0.159 1
1 72 . 10 1 1 A 19 19 GLY HA3 H 19 3.916 4.249 -0.333 1
1 73 . 10 1 1 A 19 19 GLY CA C 19 45.334 45.818 -0.484 1
1 74 . 10 1 1 A 19 19 GLY N N 19 110.212 107.968 2.244 1
1 75 . 10 1 1 A 20 20 THR H H 20 8.804 8.233 0.571 1
1 76 . 10 1 1 A 20 20 THR HA H 20 4.078 4.135 -0.057 1
1 81 . 10 1 1 A 20 20 THR CA C 20 63.267 64.924 -1.657 1
1 82 . 10 1 1 A 20 20 THR CB C 20 68.097 69.616 -1.519 1
1 84 . 10 1 1 A 20 20 THR N N 20 110.310 117.413 -7.103 1
1 85 . 10 1 1 A 21 21 ASN H H 21 8.752 7.802 0.950 1
1 86 . 10 1 1 A 21 21 ASN HA H 21 4.580 4.910 -0.330 1
1 91 . 10 1 1 A 21 21 ASN CA C 21 52.935 53.059 -0.124 1
1 92 . 10 1 1 A 21 21 ASN CB C 21 36.494 40.276 -3.782 1
1 93 . 10 1 1 A 21 21 ASN N N 21 115.437 118.320 -2.883 1
1 95 . 10 1 1 A 22 22 TYR H H 22 6.870 8.264 -1.394 1
1 96 . 10 1 1 A 22 22 TYR HA H 22 4.277 5.506 -1.229 1
1 103 . 10 1 1 A 22 22 TYR CA C 22 58.483 57.151 1.332 1
1 104 . 10 1 1 A 22 22 TYR CB C 22 39.094 40.225 -1.131 1
1 109 . 10 1 1 A 22 22 TYR N N 22 118.413 122.464 -4.051 1
1 110 . 10 1 1 A 23 23 ARG H H 23 8.107 7.603 0.504 1
1 111 . 10 1 1 A 23 23 ARG HA H 23 4.135 4.063 0.072 1
1 118 . 10 1 1 A 23 23 ARG CA C 23 56.315 58.373 -2.058 1
1 119 . 10 1 1 A 23 23 ARG CB C 23 30.936 30.189 0.747 1
1 122 . 10 1 1 A 23 23 ARG N N 23 120.620 119.940 0.680 1
1 123 . 10 1 1 A 24 24 ILE H H 24 8.535 7.370 1.165 1
1 124 . 10 1 1 A 24 24 ILE HA H 24 4.296 3.699 0.597 1
1 134 . 10 1 1 A 24 24 ILE CA C 24 61.695 64.885 -3.190 1
1 135 . 10 1 1 A 24 24 ILE CB C 24 37.876 38.389 -0.513 1
1 139 . 10 1 1 A 24 24 ILE N N 24 121.314 119.718 1.596 1
1 140 . 10 1 1 A 25 25 ILE H H 25 8.995 7.480 1.515 1
1 141 . 10 1 1 A 25 25 ILE HA H 25 4.542 4.574 -0.032 1
1 151 . 10 1 1 A 25 25 ILE CA C 25 60.963 58.749 2.214 1
1 152 . 10 1 1 A 25 25 ILE CB C 25 38.523 40.941 -2.418 1
1 156 . 10 1 1 A 25 25 ILE N N 25 121.558 118.256 3.302 1
1 157 . 10 1 1 A 26 26 GLY H H 26 7.396 8.110 -0.714 1
1 158 . 10 1 1 A 26 26 GLY HA2 H 26 4.140 4.096 0.044 1
1 159 . 10 1 1 A 26 26 GLY HA3 H 26 4.002 4.114 -0.112 1
1 160 . 10 1 1 A 26 26 GLY CA C 26 44.715 45.974 -1.259 1
1 161 . 10 1 1 A 26 26 GLY N N 26 108.443 111.381 -2.938 1
1 162 . 10 1 1 A 27 27 ALA H H 27 7.996 7.840 0.156 1
1 163 . 10 1 1 A 27 27 ALA HA H 27 5.211 4.823 0.388 1
1 167 . 10 1 1 A 27 27 ALA CA C 27 50.903 51.851 -0.948 1
1 168 . 10 1 1 A 27 27 ALA CB C 27 21.348 19.736 1.612 1
1 169 . 10 1 1 A 27 27 ALA N N 27 120.625 121.057 -0.432 1
1 170 . 10 1 1 A 29 29 PRO HA H 29 4.952 4.709 0.243 1
1 177 . 10 1 1 A 29 29 PRO CA C 29 50.614 62.321 -11.707 1
1 178 . 10 1 1 A 29 29 PRO CB C 29 26.144 29.482 -3.338 1
1 181 . 10 1 1 A 32 32 GLN H H 32 9.259 8.097 1.162 1
1 182 . 10 1 1 A 32 32 GLN HA H 32 5.443 4.014 1.429 1
1 183 . 10 1 1 A 32 32 GLN CA C 32 55.719 58.292 -2.573 1
1 184 . 10 1 1 A 32 32 GLN N N 32 116.392 125.694 -9.302 1
1 185 . 10 1 1 A 34 34 VAL H H 34 8.618 8.458 0.160 1
1 186 . 10 1 1 A 34 34 VAL HA H 34 4.132 4.171 -0.039 1
1 194 . 10 1 1 A 34 34 VAL CA C 34 61.096 63.253 -2.157 1
1 195 . 10 1 1 A 34 34 VAL CB C 34 32.009 30.855 1.154 1
1 198 . 10 1 1 A 34 34 VAL N N 34 122.742 120.502 2.240 1
1 200 . 10 1 1 A 37 37 ILE H H 37 9.258 9.420 -0.162 1
1 201 . 10 1 1 A 37 37 ILE HA H 37 3.892 4.118 -0.226 1
1 211 . 10 1 1 A 37 37 ILE CA C 37 63.577 62.771 0.806 1
1 212 . 10 1 1 A 37 37 ILE CB C 37 39.554 38.259 1.295 1
1 216 . 10 1 1 A 37 37 ILE N N 37 129.778 129.988 -0.210 1
1 217 . 10 1 1 A 38 38 SER H H 38 7.438 7.321 0.117 1
1 218 . 10 1 1 A 38 38 SER HA H 38 4.463 4.764 -0.301 1
1 221 . 10 1 1 A 38 38 SER CA C 38 57.098 57.605 -0.507 1
1 222 . 10 1 1 A 38 38 SER CB C 38 63.350 65.235 -1.885 1
1 223 . 10 1 1 A 38 38 SER N N 38 109.846 111.958 -2.112 1
1 224 . 10 1 1 A 39 39 GLU H H 39 8.698 8.761 -0.063 1
1 225 . 10 1 1 A 39 39 GLU HA H 39 5.181 5.101 0.080 1
1 230 . 10 1 1 A 39 39 GLU CA C 39 55.046 54.967 0.079 1
1 231 . 10 1 1 A 39 39 GLU CB C 39 32.339 32.278 0.061 1
1 233 . 10 1 1 A 39 39 GLU N N 39 120.149 121.421 -1.272 1
1 234 . 10 1 1 A 40 40 ASN H H 40 8.802 9.353 -0.551 1
1 235 . 10 1 1 A 40 40 ASN HA H 40 4.774 5.036 -0.262 1
1 240 . 10 1 1 A 40 40 ASN CA C 40 54.054 51.947 2.107 1
1 241 . 10 1 1 A 40 40 ASN CB C 40 41.280 40.196 1.084 1
1 242 . 10 1 1 A 40 40 ASN N N 40 119.687 122.270 -2.583 1
1 244 . 10 1 1 A 41 41 SER H H 41 9.138 8.770 0.368 1
1 245 . 10 1 1 A 41 41 SER HA H 41 4.054 4.227 -0.173 1
1 248 . 10 1 1 A 41 41 SER CA C 41 58.464 60.494 -2.030 1
1 249 . 10 1 1 A 41 41 SER CB C 41 61.911 62.864 -0.953 1
1 250 . 10 1 1 A 41 41 SER N N 41 118.754 117.456 1.298 1
1 251 . 10 1 1 A 42 42 GLY H H 42 8.411 8.004 0.407 1
1 252 . 10 1 1 A 42 42 GLY HA2 H 42 4.080 3.754 0.326 1
1 253 . 10 1 1 A 42 42 GLY HA3 H 42 3.419 3.872 -0.453 1
1 254 . 10 1 1 A 42 42 GLY CA C 42 45.042 46.725 -1.683 1
1 255 . 10 1 1 A 42 42 GLY N N 42 105.488 107.165 -1.677 1
1 256 . 10 1 1 A 43 43 TRP H H 43 8.216 8.005 0.211 1
1 257 . 10 1 1 A 43 43 TRP HA H 43 5.046 5.859 -0.813 1
1 266 . 10 1 1 A 43 43 TRP CA C 43 56.182 56.256 -0.074 1
1 267 . 10 1 1 A 43 43 TRP CB C 43 32.162 32.579 -0.417 1
1 273 . 10 1 1 A 43 43 TRP N N 43 122.262 117.905 4.357 1
1 275 . 10 1 1 A 44 44 SER H H 44 10.151 9.397 0.754 1
1 276 . 10 1 1 A 44 44 SER HA H 44 5.028 5.242 -0.214 1
1 279 . 10 1 1 A 44 44 SER CA C 44 58.463 56.346 2.117 1
1 280 . 10 1 1 A 44 44 SER CB C 44 64.198 64.958 -0.760 1
1 281 . 10 1 1 A 44 44 SER N N 44 122.494 116.231 6.263 1
1 282 . 10 1 1 A 45 45 LYS H H 45 8.905 8.966 -0.061 1
1 283 . 10 1 1 A 45 45 LYS HA H 45 4.474 4.652 -0.178 1
1 292 . 10 1 1 A 45 45 LYS CA C 45 55.039 56.063 -1.024 1
1 293 . 10 1 1 A 45 45 LYS CB C 45 33.755 33.272 0.483 1
1 297 . 10 1 1 A 45 45 LYS N N 45 128.116 125.109 3.007 1
1 298 . 10 1 1 A 46 46 ILE H H 46 8.912 8.896 0.016 1
1 299 . 10 1 1 A 46 46 ILE HA H 46 4.974 5.019 -0.045 1
1 309 . 10 1 1 A 46 46 ILE CA C 46 58.570 58.685 -0.115 1
1 310 . 10 1 1 A 46 46 ILE CB C 46 42.651 42.221 0.430 1
1 314 . 10 1 1 A 46 46 ILE N N 46 119.419 118.715 0.704 1
1 315 . 10 1 1 A 47 47 ASN H H 47 8.855 8.516 0.339 1
1 316 . 10 1 1 A 47 47 ASN HA H 47 5.016 5.793 -0.777 1
1 321 . 10 1 1 A 47 47 ASN CA C 47 52.281 51.272 1.009 1
1 322 . 10 1 1 A 47 47 ASN CB C 47 39.208 40.010 -0.802 1
1 323 . 10 1 1 A 47 47 ASN N N 47 119.209 120.317 -1.108 1
1 325 . 10 1 1 A 48 48 TYR H H 48 9.147 8.926 0.221 1
1 326 . 10 1 1 A 48 48 TYR HA H 48 4.647 4.873 -0.226 1
1 333 . 10 1 1 A 48 48 TYR CA C 48 56.347 56.886 -0.539 1
1 334 . 10 1 1 A 48 48 TYR CB C 48 39.210 38.823 0.387 1
1 339 . 10 1 1 A 48 48 TYR N N 48 126.582 127.323 -0.741 1
1 340 . 10 1 1 A 49 49 ASN H H 49 8.807 8.932 -0.125 1
1 341 . 10 1 1 A 49 49 ASN HA H 49 4.110 4.339 -0.229 1
1 346 . 10 1 1 A 49 49 ASN CA C 49 53.309 54.330 -1.021 1
1 347 . 10 1 1 A 49 49 ASN CB C 49 37.118 37.265 -0.147 1
1 348 . 10 1 1 A 49 49 ASN N N 49 125.133 126.430 -1.297 1
1 350 . 10 1 1 A 50 50 GLY H H 50 8.202 8.316 -0.114 1
1 351 . 10 1 1 A 50 50 GLY HA2 H 50 4.149 3.820 0.329 1
1 352 . 10 1 1 A 50 50 GLY HA3 H 50 3.626 3.821 -0.195 1
1 353 . 10 1 1 A 50 50 GLY CA C 50 45.402 45.249 0.153 1
1 354 . 10 1 1 A 50 50 GLY N N 50 104.198 103.431 0.767 1
1 355 . 10 1 1 A 51 51 GLN H H 51 7.799 7.625 0.174 1
1 356 . 10 1 1 A 51 51 GLN HA H 51 4.651 4.617 0.034 1
1 363 . 10 1 1 A 51 51 GLN CA C 51 53.530 54.624 -1.094 1
1 364 . 10 1 1 A 51 51 GLN CB C 51 31.653 30.168 1.485 1
1 366 . 10 1 1 A 51 51 GLN N N 51 119.235 119.608 -0.373 1
1 368 . 10 1 1 A 52 52 THR H H 52 8.491 8.444 0.047 1
1 369 . 10 1 1 A 52 52 THR HA H 52 4.546 4.606 -0.060 1
1 374 . 10 1 1 A 52 52 THR CA C 52 62.631 61.352 1.279 1
1 375 . 10 1 1 A 52 52 THR CB C 52 69.224 69.369 -0.145 1
1 377 . 10 1 1 A 52 52 THR N N 52 118.279 117.717 0.562 1
1 378 . 10 1 1 A 53 53 GLY H H 53 8.406 8.948 -0.542 1
1 379 . 10 1 1 A 53 53 GLY HA2 H 53 4.588 4.177 0.411 1
1 380 . 10 1 1 A 53 53 GLY HA3 H 53 3.115 4.188 -1.073 1
1 381 . 10 1 1 A 53 53 GLY CA C 53 43.338 43.789 -0.451 1
1 382 . 10 1 1 A 53 53 GLY N N 53 111.718 114.521 -2.803 1
1 383 . 10 1 1 A 54 54 TYR H H 54 8.734 8.836 -0.102 1
1 384 . 10 1 1 A 54 54 TYR HA H 54 5.667 5.831 -0.164 1
1 391 . 10 1 1 A 54 54 TYR CA C 54 56.403 56.380 0.023 1
1 392 . 10 1 1 A 54 54 TYR CB C 54 41.962 42.828 -0.866 1
1 397 . 10 1 1 A 54 54 TYR N N 54 116.106 121.089 -4.983 1
1 398 . 10 1 1 A 55 55 ILE H H 55 9.160 8.541 0.619 1
1 399 . 10 1 1 A 55 55 ILE HA H 55 5.318 4.730 0.588 1
1 409 . 10 1 1 A 55 55 ILE CA C 55 58.471 59.256 -0.785 1
1 410 . 10 1 1 A 55 55 ILE CB C 55 42.618 41.763 0.855 1
1 414 . 10 1 1 A 55 55 ILE N N 55 115.023 116.933 -1.910 1
1 415 . 10 1 1 A 56 56 GLY H H 56 9.066 8.672 0.394 1
1 416 . 10 1 1 A 56 56 GLY HA2 H 56 3.612 4.169 -0.557 1
1 417 . 10 1 1 A 56 56 GLY HA3 H 56 3.164 4.275 -1.111 1
1 418 . 10 1 1 A 56 56 GLY CA C 56 46.091 45.855 0.236 1
1 419 . 10 1 1 A 56 56 GLY N N 56 111.661 109.633 2.028 1
1 420 . 10 1 1 A 57 57 THR H H 57 8.142 9.029 -0.887 1
1 421 . 10 1 1 A 57 57 THR HA H 57 3.436 4.321 -0.885 1
1 426 . 10 1 1 A 57 57 THR CA C 57 65.333 64.486 0.847 1
1 427 . 10 1 1 A 57 57 THR CB C 57 68.778 68.125 0.653 1
1 429 . 10 1 1 A 57 57 THR N N 57 124.844 119.467 5.377 1
1 430 . 10 1 1 A 58 58 ARG H H 58 8.261 8.100 0.161 1
1 431 . 10 1 1 A 58 58 ARG HA H 58 3.990 4.255 -0.265 1
1 438 . 10 1 1 A 58 58 ARG CA C 58 57.045 58.569 -1.524 1
1 439 . 10 1 1 A 58 58 ARG CB C 58 28.213 31.292 -3.079 1
1 442 . 10 1 1 A 58 58 ARG N N 58 116.486 119.226 -2.740 1
1 443 . 10 1 1 A 59 59 TYR H H 59 7.298 7.938 -0.640 1
1 444 . 10 1 1 A 59 59 TYR HA H 59 4.775 5.394 -0.619 1
1 451 . 10 1 1 A 59 59 TYR CA C 59 53.961 56.551 -2.590 1
1 452 . 10 1 1 A 59 59 TYR CB C 59 38.522 40.973 -2.451 1
1 457 . 10 1 1 A 59 59 TYR N N 59 118.931 116.722 2.209 1
1 458 . 10 1 1 A 60 60 LEU H H 60 7.430 9.130 -1.700 1
1 459 . 10 1 1 A 60 60 LEU HA H 60 5.028 5.155 -0.127 1
1 469 . 10 1 1 A 60 60 LEU CA C 60 52.950 53.454 -0.504 1
1 470 . 10 1 1 A 60 60 LEU CB C 60 44.020 46.668 -2.648 1
1 474 . 10 1 1 A 60 60 LEU N N 60 118.281 125.452 -7.171 1
1 475 . 10 1 1 A 61 61 SER H H 61 8.959 8.668 0.291 1
1 476 . 10 1 1 A 61 61 SER HA H 61 4.894 5.083 -0.189 1
1 479 . 10 1 1 A 61 61 SER CA C 61 56.428 57.289 -0.861 1
1 480 . 10 1 1 A 61 61 SER CB C 61 65.345 66.675 -1.330 1
1 481 . 10 1 1 A 61 61 SER N N 61 115.830 117.544 -1.714 1
1 482 . 10 1 1 A 62 62 LYS H H 62 8.872 9.712 -0.840 1
1 483 . 10 1 1 A 62 62 LYS HA H 62 3.960 4.505 -0.545 1
1 492 . 10 1 1 A 62 62 LYS CA C 62 57.079 57.522 -0.443 1
1 493 . 10 1 1 A 62 62 LYS CB C 62 33.016 35.135 -2.119 1
1 497 . 10 1 1 A 62 62 LYS N N 62 125.311 125.693 -0.382 1
1 498 . 10 1 1 A 63 63 LEU H H 63 7.997 8.124 -0.127 1
1 499 . 10 1 1 A 63 63 LEU HA H 63 4.328 4.663 -0.335 1
1 509 . 10 1 1 A 63 63 LEU CA C 63 54.323 56.545 -2.222 1
1 510 . 10 1 1 A 63 63 LEU CB C 63 42.672 44.367 -1.695 1
1 514 . 10 1 1 A 63 63 LEU N N 63 121.820 119.871 1.949 1
1 515 . 10 1 1 A 64 64 GLU H H 64 8.274 8.132 0.142 1
1 1 . 11 1 1 A 3 3 GLY H H 3 8.337 8.253 0.084 1
1 2 . 11 1 1 A 3 3 GLY HA2 H 3 4.308 4.096 0.212 1
1 3 . 11 1 1 A 3 3 GLY HA3 H 3 3.880 4.356 -0.476 1
1 4 . 11 1 1 A 3 3 GLY CA C 3 44.714 45.529 -0.815 1
1 5 . 11 1 1 A 4 4 ASP H H 4 8.223 8.362 -0.139 1
1 6 . 11 1 1 A 4 4 ASP HA H 4 5.315 4.600 0.715 1
1 9 . 11 1 1 A 4 4 ASP CA C 4 58.458 54.404 4.054 1
1 10 . 11 1 1 A 4 4 ASP CB C 4 41.275 40.562 0.713 1
1 11 . 11 1 1 A 4 4 ASP N N 4 119.687 119.561 0.126 1
1 12 . 11 1 1 A 8 8 ASN H H 8 9.232 7.335 1.897 1
1 13 . 11 1 1 A 8 8 ASN HA H 8 5.076 4.456 0.620 1
1 16 . 11 1 1 A 8 8 ASN CA C 8 52.276 54.429 -2.153 1
1 17 . 11 1 1 A 8 8 ASN CB C 8 38.566 36.700 1.866 1
1 18 . 11 1 1 A 8 8 ASN N N 8 129.984 117.262 12.722 1
1 19 . 11 1 1 A 13 13 ASN H H 13 8.616 8.843 -0.227 1
1 20 . 11 1 1 A 13 13 ASN HA H 13 5.024 5.109 -0.085 1
1 25 . 11 1 1 A 13 13 ASN CA C 13 52.945 54.619 -1.674 1
1 26 . 11 1 1 A 13 13 ASN CB C 13 39.596 40.563 -0.967 1
1 27 . 11 1 1 A 13 13 ASN N N 13 122.544 118.040 4.504 1
1 29 . 11 1 1 A 14 14 VAL H H 14 8.619 7.853 0.766 1
1 30 . 11 1 1 A 14 14 VAL HA H 14 4.133 4.360 -0.227 1
1 38 . 11 1 1 A 14 14 VAL CA C 14 61.096 61.658 -0.562 1
1 39 . 11 1 1 A 14 14 VAL CB C 14 32.009 32.274 -0.265 1
1 42 . 11 1 1 A 14 14 VAL N N 14 122.742 114.208 8.534 1
1 43 . 11 1 1 A 15 15 ARG H H 15 9.322 7.614 1.708 1
1 44 . 11 1 1 A 15 15 ARG HA H 15 5.514 3.896 1.618 1
1 51 . 11 1 1 A 15 15 ARG CA C 15 53.646 58.254 -4.608 1
1 52 . 11 1 1 A 15 15 ARG CB C 15 34.426 29.912 4.514 1
1 55 . 11 1 1 A 15 15 ARG N N 15 125.781 125.045 0.736 1
1 56 . 11 1 1 A 16 16 SER H H 16 8.730 8.962 -0.232 1
1 57 . 11 1 1 A 16 16 SER HA H 16 4.470 4.607 -0.137 1
1 60 . 11 1 1 A 16 16 SER CA C 16 59.017 59.221 -0.204 1
1 61 . 11 1 1 A 16 16 SER CB C 16 19.276 60.973 -41.697 1
1 62 . 11 1 1 A 16 16 SER N N 16 112.631 121.183 -8.552 1
1 63 . 11 1 1 A 18 18 GLU H H 18 6.979 8.350 -1.371 1
1 64 . 11 1 1 A 18 18 GLU HA H 18 4.421 4.832 -0.411 1
1 69 . 11 1 1 A 18 18 GLU N N 18 113.293 123.244 -9.951 1
1 70 . 11 1 1 A 19 19 GLY H H 19 6.314 8.983 -2.669 1
1 71 . 11 1 1 A 19 19 GLY HA2 H 19 4.306 3.934 0.372 1
1 72 . 11 1 1 A 19 19 GLY HA3 H 19 3.916 3.941 -0.025 1
1 73 . 11 1 1 A 19 19 GLY CA C 19 45.334 47.907 -2.573 1
1 74 . 11 1 1 A 19 19 GLY N N 19 110.212 110.706 -0.494 1
1 75 . 11 1 1 A 20 20 THR H H 20 8.804 9.030 -0.226 1
1 76 . 11 1 1 A 20 20 THR HA H 20 4.078 4.593 -0.515 1
1 81 . 11 1 1 A 20 20 THR CA C 20 63.267 64.222 -0.955 1
1 82 . 11 1 1 A 20 20 THR CB C 20 68.097 70.947 -2.850 1
1 84 . 11 1 1 A 20 20 THR N N 20 110.310 115.799 -5.489 1
1 85 . 11 1 1 A 21 21 ASN H H 21 8.752 7.920 0.832 1
1 86 . 11 1 1 A 21 21 ASN HA H 21 4.580 4.971 -0.391 1
1 91 . 11 1 1 A 21 21 ASN CA C 21 52.935 52.492 0.443 1
1 92 . 11 1 1 A 21 21 ASN CB C 21 36.494 41.187 -4.693 1
1 93 . 11 1 1 A 21 21 ASN N N 21 115.437 118.162 -2.725 1
1 95 . 11 1 1 A 22 22 TYR H H 22 6.870 7.945 -1.075 1
1 96 . 11 1 1 A 22 22 TYR HA H 22 4.277 4.586 -0.309 1
1 103 . 11 1 1 A 22 22 TYR CA C 22 58.483 58.623 -0.140 1
1 104 . 11 1 1 A 22 22 TYR CB C 22 39.094 37.428 1.666 1
1 109 . 11 1 1 A 22 22 TYR N N 22 118.413 118.962 -0.549 1
1 110 . 11 1 1 A 23 23 ARG H H 23 8.107 8.050 0.057 1
1 111 . 11 1 1 A 23 23 ARG HA H 23 4.135 3.940 0.195 1
1 118 . 11 1 1 A 23 23 ARG CA C 23 56.315 59.226 -2.911 1
1 119 . 11 1 1 A 23 23 ARG CB C 23 30.936 29.706 1.230 1
1 122 . 11 1 1 A 23 23 ARG N N 23 120.620 121.254 -0.634 1
1 123 . 11 1 1 A 24 24 ILE H H 24 8.535 7.771 0.764 1
1 124 . 11 1 1 A 24 24 ILE HA H 24 4.296 4.163 0.133 1
1 134 . 11 1 1 A 24 24 ILE CA C 24 61.695 62.646 -0.951 1
1 135 . 11 1 1 A 24 24 ILE CB C 24 37.876 38.023 -0.147 1
1 139 . 11 1 1 A 24 24 ILE N N 24 121.314 111.647 9.667 1
1 140 . 11 1 1 A 25 25 ILE H H 25 8.995 7.881 1.114 1
1 141 . 11 1 1 A 25 25 ILE HA H 25 4.542 3.621 0.921 1
1 151 . 11 1 1 A 25 25 ILE CA C 25 60.963 59.600 1.363 1
1 152 . 11 1 1 A 25 25 ILE CB C 25 38.523 38.435 0.088 1
1 156 . 11 1 1 A 25 25 ILE N N 25 121.558 123.436 -1.878 1
1 157 . 11 1 1 A 26 26 GLY H H 26 7.396 8.266 -0.870 1
1 158 . 11 1 1 A 26 26 GLY HA2 H 26 4.140 4.312 -0.172 1
1 159 . 11 1 1 A 26 26 GLY HA3 H 26 4.002 4.361 -0.359 1
1 160 . 11 1 1 A 26 26 GLY CA C 26 44.715 45.055 -0.340 1
1 161 . 11 1 1 A 26 26 GLY N N 26 108.443 111.331 -2.888 1
1 162 . 11 1 1 A 27 27 ALA H H 27 7.996 8.142 -0.146 1
1 163 . 11 1 1 A 27 27 ALA HA H 27 5.211 4.631 0.580 1
1 167 . 11 1 1 A 27 27 ALA CA C 27 50.903 51.252 -0.349 1
1 168 . 11 1 1 A 27 27 ALA CB C 27 21.348 19.289 2.059 1
1 169 . 11 1 1 A 27 27 ALA N N 27 120.625 122.635 -2.010 1
1 170 . 11 1 1 A 29 29 PRO HA H 29 4.952 4.350 0.602 1
1 177 . 11 1 1 A 29 29 PRO CA C 29 50.614 64.780 -14.166 1
1 178 . 11 1 1 A 29 29 PRO CB C 29 26.144 31.718 -5.574 1
1 181 . 11 1 1 A 32 32 GLN H H 32 9.259 8.344 0.915 1
1 182 . 11 1 1 A 32 32 GLN HA H 32 5.443 4.081 1.362 1
1 183 . 11 1 1 A 32 32 GLN CA C 32 55.719 57.997 -2.278 1
1 184 . 11 1 1 A 32 32 GLN N N 32 116.392 121.236 -4.844 1
1 185 . 11 1 1 A 34 34 VAL H H 34 8.618 7.796 0.822 1
1 186 . 11 1 1 A 34 34 VAL HA H 34 4.132 4.115 0.017 1
1 194 . 11 1 1 A 34 34 VAL CA C 34 61.096 62.737 -1.641 1
1 195 . 11 1 1 A 34 34 VAL CB C 34 32.009 31.765 0.244 1
1 198 . 11 1 1 A 34 34 VAL N N 34 122.742 119.110 3.632 1
1 200 . 11 1 1 A 37 37 ILE H H 37 9.258 9.535 -0.277 1
1 201 . 11 1 1 A 37 37 ILE HA H 37 3.892 4.181 -0.289 1
1 211 . 11 1 1 A 37 37 ILE CA C 37 63.577 62.710 0.867 1
1 212 . 11 1 1 A 37 37 ILE CB C 37 39.554 38.368 1.186 1
1 216 . 11 1 1 A 37 37 ILE N N 37 129.778 126.567 3.211 1
1 217 . 11 1 1 A 38 38 SER H H 38 7.438 7.597 -0.159 1
1 218 . 11 1 1 A 38 38 SER HA H 38 4.463 4.671 -0.208 1
1 221 . 11 1 1 A 38 38 SER CA C 38 57.098 57.492 -0.394 1
1 222 . 11 1 1 A 38 38 SER CB C 38 63.350 65.235 -1.885 1
1 223 . 11 1 1 A 38 38 SER N N 38 109.846 111.384 -1.538 1
1 224 . 11 1 1 A 39 39 GLU H H 39 8.698 8.701 -0.003 1
1 225 . 11 1 1 A 39 39 GLU HA H 39 5.181 5.316 -0.135 1
1 230 . 11 1 1 A 39 39 GLU CA C 39 55.046 55.215 -0.169 1
1 231 . 11 1 1 A 39 39 GLU CB C 39 32.339 32.562 -0.223 1
1 233 . 11 1 1 A 39 39 GLU N N 39 120.149 122.850 -2.701 1
1 234 . 11 1 1 A 40 40 ASN H H 40 8.802 9.642 -0.840 1
1 235 . 11 1 1 A 40 40 ASN HA H 40 4.774 4.886 -0.112 1
1 240 . 11 1 1 A 40 40 ASN CA C 40 54.054 53.382 0.672 1
1 241 . 11 1 1 A 40 40 ASN CB C 40 41.280 41.196 0.084 1
1 242 . 11 1 1 A 40 40 ASN N N 40 119.687 119.925 -0.238 1
1 244 . 11 1 1 A 41 41 SER H H 41 9.138 9.369 -0.231 1
1 245 . 11 1 1 A 41 41 SER HA H 41 4.054 4.075 -0.021 1
1 248 . 11 1 1 A 41 41 SER CA C 41 58.464 59.203 -0.739 1
1 249 . 11 1 1 A 41 41 SER CB C 41 61.911 62.056 -0.145 1
1 250 . 11 1 1 A 41 41 SER N N 41 118.754 121.643 -2.889 1
1 251 . 11 1 1 A 42 42 GLY H H 42 8.411 8.399 0.012 1
1 252 . 11 1 1 A 42 42 GLY HA2 H 42 4.080 3.799 0.281 1
1 253 . 11 1 1 A 42 42 GLY HA3 H 42 3.419 3.866 -0.447 1
1 254 . 11 1 1 A 42 42 GLY CA C 42 45.042 45.352 -0.310 1
1 255 . 11 1 1 A 42 42 GLY N N 42 105.488 105.881 -0.393 1
1 256 . 11 1 1 A 43 43 TRP H H 43 8.216 7.690 0.526 1
1 257 . 11 1 1 A 43 43 TRP HA H 43 5.046 5.130 -0.084 1
1 266 . 11 1 1 A 43 43 TRP CA C 43 56.182 56.979 -0.797 1
1 267 . 11 1 1 A 43 43 TRP CB C 43 32.162 31.994 0.168 1
1 273 . 11 1 1 A 43 43 TRP N N 43 122.262 121.734 0.528 1
1 275 . 11 1 1 A 44 44 SER H H 44 10.151 9.599 0.552 1
1 276 . 11 1 1 A 44 44 SER HA H 44 5.028 5.426 -0.398 1
1 279 . 11 1 1 A 44 44 SER CA C 44 58.463 56.555 1.908 1
1 280 . 11 1 1 A 44 44 SER CB C 44 64.198 65.740 -1.542 1
1 281 . 11 1 1 A 44 44 SER N N 44 122.494 116.311 6.183 1
1 282 . 11 1 1 A 45 45 LYS H H 45 8.905 9.145 -0.240 1
1 283 . 11 1 1 A 45 45 LYS HA H 45 4.474 4.576 -0.102 1
1 292 . 11 1 1 A 45 45 LYS CA C 45 55.039 56.717 -1.678 1
1 293 . 11 1 1 A 45 45 LYS CB C 45 33.755 32.865 0.890 1
1 297 . 11 1 1 A 45 45 LYS N N 45 128.116 125.407 2.709 1
1 298 . 11 1 1 A 46 46 ILE H H 46 8.912 8.650 0.262 1
1 299 . 11 1 1 A 46 46 ILE HA H 46 4.974 4.981 -0.007 1
1 309 . 11 1 1 A 46 46 ILE CA C 46 58.570 58.580 -0.010 1
1 310 . 11 1 1 A 46 46 ILE CB C 46 42.651 42.311 0.340 1
1 314 . 11 1 1 A 46 46 ILE N N 46 119.419 119.547 -0.128 1
1 315 . 11 1 1 A 47 47 ASN H H 47 8.855 8.971 -0.116 1
1 316 . 11 1 1 A 47 47 ASN HA H 47 5.016 5.406 -0.390 1
1 321 . 11 1 1 A 47 47 ASN CA C 47 52.281 51.476 0.805 1
1 322 . 11 1 1 A 47 47 ASN CB C 47 39.208 40.626 -1.418 1
1 323 . 11 1 1 A 47 47 ASN N N 47 119.209 121.657 -2.448 1
1 325 . 11 1 1 A 48 48 TYR H H 48 9.147 9.138 0.009 1
1 326 . 11 1 1 A 48 48 TYR HA H 48 4.647 4.824 -0.177 1
1 333 . 11 1 1 A 48 48 TYR CA C 48 56.347 57.520 -1.173 1
1 334 . 11 1 1 A 48 48 TYR CB C 48 39.210 40.733 -1.523 1
1 339 . 11 1 1 A 48 48 TYR N N 48 126.582 128.105 -1.523 1
1 340 . 11 1 1 A 49 49 ASN H H 49 8.807 9.030 -0.223 1
1 341 . 11 1 1 A 49 49 ASN HA H 49 4.110 4.255 -0.145 1
1 346 . 11 1 1 A 49 49 ASN CA C 49 53.309 54.201 -0.892 1
1 347 . 11 1 1 A 49 49 ASN CB C 49 37.118 37.142 -0.024 1
1 348 . 11 1 1 A 49 49 ASN N N 49 125.133 125.667 -0.534 1
1 350 . 11 1 1 A 50 50 GLY H H 50 8.202 8.112 0.090 1
1 351 . 11 1 1 A 50 50 GLY HA2 H 50 4.149 3.807 0.342 1
1 352 . 11 1 1 A 50 50 GLY HA3 H 50 3.626 3.807 -0.181 1
1 353 . 11 1 1 A 50 50 GLY CA C 50 45.402 45.288 0.114 1
1 354 . 11 1 1 A 50 50 GLY N N 50 104.198 104.100 0.098 1
1 355 . 11 1 1 A 51 51 GLN H H 51 7.799 7.781 0.018 1
1 356 . 11 1 1 A 51 51 GLN HA H 51 4.651 4.692 -0.041 1
1 363 . 11 1 1 A 51 51 GLN CA C 51 53.530 54.367 -0.837 1
1 364 . 11 1 1 A 51 51 GLN CB C 51 31.653 31.354 0.299 1
1 366 . 11 1 1 A 51 51 GLN N N 51 119.235 120.667 -1.432 1
1 368 . 11 1 1 A 52 52 THR H H 52 8.491 8.645 -0.154 1
1 369 . 11 1 1 A 52 52 THR HA H 52 4.546 4.477 0.069 1
1 374 . 11 1 1 A 52 52 THR CA C 52 62.631 62.222 0.409 1
1 375 . 11 1 1 A 52 52 THR CB C 52 69.224 68.917 0.307 1
1 377 . 11 1 1 A 52 52 THR N N 52 118.279 119.938 -1.659 1
1 378 . 11 1 1 A 53 53 GLY H H 53 8.406 8.495 -0.089 1
1 379 . 11 1 1 A 53 53 GLY HA2 H 53 4.588 3.811 0.777 1
1 380 . 11 1 1 A 53 53 GLY HA3 H 53 3.115 4.061 -0.946 1
1 381 . 11 1 1 A 53 53 GLY CA C 53 43.338 43.559 -0.221 1
1 382 . 11 1 1 A 53 53 GLY N N 53 111.718 113.452 -1.734 1
1 383 . 11 1 1 A 54 54 TYR H H 54 8.734 7.441 1.293 1
1 384 . 11 1 1 A 54 54 TYR HA H 54 5.667 5.215 0.452 1
1 391 . 11 1 1 A 54 54 TYR CA C 54 56.403 55.834 0.569 1
1 392 . 11 1 1 A 54 54 TYR CB C 54 41.962 42.003 -0.041 1
1 397 . 11 1 1 A 54 54 TYR N N 54 116.106 119.252 -3.146 1
1 398 . 11 1 1 A 55 55 ILE H H 55 9.160 8.359 0.801 1
1 399 . 11 1 1 A 55 55 ILE HA H 55 5.318 4.536 0.782 1
1 409 . 11 1 1 A 55 55 ILE CA C 55 58.471 59.157 -0.686 1
1 410 . 11 1 1 A 55 55 ILE CB C 55 42.618 41.672 0.946 1
1 414 . 11 1 1 A 55 55 ILE N N 55 115.023 116.985 -1.962 1
1 415 . 11 1 1 A 56 56 GLY H H 56 9.066 8.677 0.389 1
1 416 . 11 1 1 A 56 56 GLY HA2 H 56 3.612 4.342 -0.730 1
1 417 . 11 1 1 A 56 56 GLY HA3 H 56 3.164 4.503 -1.339 1
1 418 . 11 1 1 A 56 56 GLY CA C 56 46.091 45.995 0.096 1
1 419 . 11 1 1 A 56 56 GLY N N 56 111.661 109.752 1.909 1
1 420 . 11 1 1 A 57 57 THR H H 57 8.142 9.134 -0.992 1
1 421 . 11 1 1 A 57 57 THR HA H 57 3.436 4.240 -0.804 1
1 426 . 11 1 1 A 57 57 THR CA C 57 65.333 65.639 -0.306 1
1 427 . 11 1 1 A 57 57 THR CB C 57 68.778 68.460 0.318 1
1 429 . 11 1 1 A 57 57 THR N N 57 124.844 116.860 7.984 1
1 430 . 11 1 1 A 58 58 ARG H H 58 8.261 8.307 -0.046 1
1 431 . 11 1 1 A 58 58 ARG HA H 58 3.990 4.111 -0.121 1
1 438 . 11 1 1 A 58 58 ARG CA C 58 57.045 57.530 -0.485 1
1 439 . 11 1 1 A 58 58 ARG CB C 58 28.213 29.961 -1.748 1
1 442 . 11 1 1 A 58 58 ARG N N 58 116.486 118.550 -2.064 1
1 443 . 11 1 1 A 59 59 TYR H H 59 7.298 8.002 -0.704 1
1 444 . 11 1 1 A 59 59 TYR HA H 59 4.775 5.633 -0.858 1
1 451 . 11 1 1 A 59 59 TYR CA C 59 53.961 56.856 -2.895 1
1 452 . 11 1 1 A 59 59 TYR CB C 59 38.522 41.261 -2.739 1
1 457 . 11 1 1 A 59 59 TYR N N 59 118.931 118.600 0.331 1
1 458 . 11 1 1 A 60 60 LEU H H 60 7.430 9.002 -1.572 1
1 459 . 11 1 1 A 60 60 LEU HA H 60 5.028 4.896 0.132 1
1 469 . 11 1 1 A 60 60 LEU CA C 60 52.950 53.390 -0.440 1
1 470 . 11 1 1 A 60 60 LEU CB C 60 44.020 46.645 -2.625 1
1 474 . 11 1 1 A 60 60 LEU N N 60 118.281 124.927 -6.646 1
1 475 . 11 1 1 A 61 61 SER H H 61 8.959 8.837 0.122 1
1 476 . 11 1 1 A 61 61 SER HA H 61 4.894 4.602 0.292 1
1 479 . 11 1 1 A 61 61 SER CA C 61 56.428 59.075 -2.647 1
1 480 . 11 1 1 A 61 61 SER CB C 61 65.345 62.925 2.420 1
1 481 . 11 1 1 A 61 61 SER N N 61 115.830 117.354 -1.524 1
1 482 . 11 1 1 A 62 62 LYS H H 62 8.872 8.814 0.058 1
1 483 . 11 1 1 A 62 62 LYS HA H 62 3.960 4.189 -0.229 1
1 492 . 11 1 1 A 62 62 LYS CA C 62 57.079 58.009 -0.930 1
1 493 . 11 1 1 A 62 62 LYS CB C 62 33.016 33.077 -0.061 1
1 497 . 11 1 1 A 62 62 LYS N N 62 125.311 126.503 -1.192 1
1 498 . 11 1 1 A 63 63 LEU H H 63 7.997 8.020 -0.023 1
1 499 . 11 1 1 A 63 63 LEU HA H 63 4.328 4.121 0.207 1
1 509 . 11 1 1 A 63 63 LEU CA C 63 54.323 57.059 -2.736 1
1 510 . 11 1 1 A 63 63 LEU CB C 63 42.672 41.407 1.265 1
1 514 . 11 1 1 A 63 63 LEU N N 63 121.820 120.163 1.657 1
1 515 . 11 1 1 A 64 64 GLU H H 64 8.274 7.511 0.763 1
1 1 . 12 1 1 A 3 3 GLY H H 3 8.337 8.274 0.063 1
1 2 . 12 1 1 A 3 3 GLY HA2 H 3 4.308 4.155 0.153 1
1 3 . 12 1 1 A 3 3 GLY HA3 H 3 3.880 4.288 -0.408 1
1 4 . 12 1 1 A 3 3 GLY CA C 3 44.714 45.477 -0.763 1
1 5 . 12 1 1 A 4 4 ASP H H 4 8.223 7.547 0.676 1
1 6 . 12 1 1 A 4 4 ASP HA H 4 5.315 5.353 -0.038 1
1 9 . 12 1 1 A 4 4 ASP CA C 4 58.458 52.474 5.984 1
1 10 . 12 1 1 A 4 4 ASP CB C 4 41.275 43.389 -2.114 1
1 11 . 12 1 1 A 4 4 ASP N N 4 119.687 116.002 3.685 1
1 12 . 12 1 1 A 8 8 ASN H H 8 9.232 8.576 0.656 1
1 13 . 12 1 1 A 8 8 ASN HA H 8 5.076 4.489 0.587 1
1 16 . 12 1 1 A 8 8 ASN CA C 8 52.276 53.575 -1.299 1
1 17 . 12 1 1 A 8 8 ASN CB C 8 38.566 38.501 0.065 1
1 18 . 12 1 1 A 8 8 ASN N N 8 129.984 127.811 2.173 1
1 19 . 12 1 1 A 13 13 ASN H H 13 8.616 8.315 0.301 1
1 20 . 12 1 1 A 13 13 ASN HA H 13 5.024 4.560 0.464 1
1 25 . 12 1 1 A 13 13 ASN CA C 13 52.945 55.701 -2.756 1
1 26 . 12 1 1 A 13 13 ASN CB C 13 39.596 38.961 0.635 1
1 27 . 12 1 1 A 13 13 ASN N N 13 122.544 119.799 2.745 1
1 29 . 12 1 1 A 14 14 VAL H H 14 8.619 7.717 0.902 1
1 30 . 12 1 1 A 14 14 VAL HA H 14 4.133 4.447 -0.314 1
1 38 . 12 1 1 A 14 14 VAL CA C 14 61.096 61.825 -0.729 1
1 39 . 12 1 1 A 14 14 VAL CB C 14 32.009 32.596 -0.587 1
1 42 . 12 1 1 A 14 14 VAL N N 14 122.742 116.221 6.521 1
1 43 . 12 1 1 A 15 15 ARG H H 15 9.322 7.901 1.421 1
1 44 . 12 1 1 A 15 15 ARG HA H 15 5.514 3.781 1.733 1
1 51 . 12 1 1 A 15 15 ARG CA C 15 53.646 59.300 -5.654 1
1 52 . 12 1 1 A 15 15 ARG CB C 15 34.426 29.859 4.567 1
1 55 . 12 1 1 A 15 15 ARG N N 15 125.781 123.772 2.009 1
1 56 . 12 1 1 A 16 16 SER H H 16 8.730 7.916 0.814 1
1 57 . 12 1 1 A 16 16 SER HA H 16 4.470 4.077 0.393 1
1 60 . 12 1 1 A 16 16 SER CA C 16 59.017 59.528 -0.511 1
1 61 . 12 1 1 A 16 16 SER CB C 16 19.276 61.231 -41.955 1
1 62 . 12 1 1 A 16 16 SER N N 16 112.631 112.720 -0.089 1
1 63 . 12 1 1 A 18 18 GLU H H 18 6.979 8.697 -1.718 1
1 64 . 12 1 1 A 18 18 GLU HA H 18 4.421 4.384 0.037 1
1 69 . 12 1 1 A 18 18 GLU N N 18 113.293 122.504 -9.211 1
1 70 . 12 1 1 A 19 19 GLY H H 19 6.314 8.117 -1.803 1
1 71 . 12 1 1 A 19 19 GLY HA2 H 19 4.306 4.141 0.165 1
1 72 . 12 1 1 A 19 19 GLY HA3 H 19 3.916 4.249 -0.333 1
1 73 . 12 1 1 A 19 19 GLY CA C 19 45.334 45.085 0.249 1
1 74 . 12 1 1 A 19 19 GLY N N 19 110.212 108.669 1.543 1
1 75 . 12 1 1 A 20 20 THR H H 20 8.804 8.182 0.622 1
1 76 . 12 1 1 A 20 20 THR HA H 20 4.078 3.788 0.290 1
1 81 . 12 1 1 A 20 20 THR CA C 20 63.267 61.669 1.598 1
1 82 . 12 1 1 A 20 20 THR CB C 20 68.097 69.412 -1.315 1
1 84 . 12 1 1 A 20 20 THR N N 20 110.310 116.368 -6.058 1
1 85 . 12 1 1 A 21 21 ASN H H 21 8.752 7.573 1.179 1
1 86 . 12 1 1 A 21 21 ASN HA H 21 4.580 4.704 -0.124 1
1 91 . 12 1 1 A 21 21 ASN CA C 21 52.935 52.342 0.593 1
1 92 . 12 1 1 A 21 21 ASN CB C 21 36.494 37.439 -0.945 1
1 93 . 12 1 1 A 21 21 ASN N N 21 115.437 121.322 -5.885 1
1 95 . 12 1 1 A 22 22 TYR H H 22 6.870 8.040 -1.170 1
1 96 . 12 1 1 A 22 22 TYR HA H 22 4.277 4.370 -0.093 1
1 103 . 12 1 1 A 22 22 TYR CA C 22 58.483 58.527 -0.044 1
1 104 . 12 1 1 A 22 22 TYR CB C 22 39.094 37.953 1.141 1
1 109 . 12 1 1 A 22 22 TYR N N 22 118.413 124.374 -5.961 1
1 110 . 12 1 1 A 23 23 ARG H H 23 8.107 8.156 -0.049 1
1 111 . 12 1 1 A 23 23 ARG HA H 23 4.135 4.075 0.060 1
1 118 . 12 1 1 A 23 23 ARG CA C 23 56.315 57.624 -1.309 1
1 119 . 12 1 1 A 23 23 ARG CB C 23 30.936 30.089 0.847 1
1 122 . 12 1 1 A 23 23 ARG N N 23 120.620 122.389 -1.769 1
1 123 . 12 1 1 A 24 24 ILE H H 24 8.535 7.783 0.752 1
1 124 . 12 1 1 A 24 24 ILE HA H 24 4.296 3.747 0.549 1
1 134 . 12 1 1 A 24 24 ILE CA C 24 61.695 64.389 -2.694 1
1 135 . 12 1 1 A 24 24 ILE CB C 24 37.876 37.883 -0.007 1
1 139 . 12 1 1 A 24 24 ILE N N 24 121.314 119.298 2.016 1
1 140 . 12 1 1 A 25 25 ILE H H 25 8.995 8.207 0.788 1
1 141 . 12 1 1 A 25 25 ILE HA H 25 4.542 4.163 0.379 1
1 151 . 12 1 1 A 25 25 ILE CA C 25 60.963 62.506 -1.543 1
1 152 . 12 1 1 A 25 25 ILE CB C 25 38.523 39.017 -0.494 1
1 156 . 12 1 1 A 25 25 ILE N N 25 121.558 120.050 1.508 1
1 157 . 12 1 1 A 26 26 GLY H H 26 7.396 7.225 0.171 1
1 158 . 12 1 1 A 26 26 GLY HA2 H 26 4.140 3.922 0.218 1
1 159 . 12 1 1 A 26 26 GLY HA3 H 26 4.002 3.966 0.036 1
1 160 . 12 1 1 A 26 26 GLY CA C 26 44.715 44.178 0.537 1
1 161 . 12 1 1 A 26 26 GLY N N 26 108.443 106.193 2.250 1
1 162 . 12 1 1 A 27 27 ALA H H 27 7.996 8.147 -0.151 1
1 163 . 12 1 1 A 27 27 ALA HA H 27 5.211 4.617 0.594 1
1 167 . 12 1 1 A 27 27 ALA CA C 27 50.903 51.095 -0.192 1
1 168 . 12 1 1 A 27 27 ALA CB C 27 21.348 19.547 1.801 1
1 169 . 12 1 1 A 27 27 ALA N N 27 120.625 123.246 -2.621 1
1 170 . 12 1 1 A 29 29 PRO HA H 29 4.952 4.867 0.085 1
1 177 . 12 1 1 A 29 29 PRO CA C 29 50.614 62.331 -11.717 1
1 178 . 12 1 1 A 29 29 PRO CB C 29 26.144 30.184 -4.040 1
1 181 . 12 1 1 A 32 32 GLN H H 32 9.259 7.666 1.593 1
1 182 . 12 1 1 A 32 32 GLN HA H 32 5.443 3.924 1.519 1
1 183 . 12 1 1 A 32 32 GLN CA C 32 55.719 58.679 -2.960 1
1 184 . 12 1 1 A 32 32 GLN N N 32 116.392 120.746 -4.354 1
1 185 . 12 1 1 A 34 34 VAL H H 34 8.618 8.511 0.107 1
1 186 . 12 1 1 A 34 34 VAL HA H 34 4.132 4.139 -0.007 1
1 194 . 12 1 1 A 34 34 VAL CA C 34 61.096 63.429 -2.333 1
1 195 . 12 1 1 A 34 34 VAL CB C 34 32.009 32.330 -0.321 1
1 198 . 12 1 1 A 34 34 VAL N N 34 122.742 123.398 -0.656 1
1 200 . 12 1 1 A 37 37 ILE H H 37 9.258 9.036 0.222 1
1 201 . 12 1 1 A 37 37 ILE HA H 37 3.892 4.025 -0.133 1
1 211 . 12 1 1 A 37 37 ILE CA C 37 63.577 63.211 0.366 1
1 212 . 12 1 1 A 37 37 ILE CB C 37 39.554 38.552 1.002 1
1 216 . 12 1 1 A 37 37 ILE N N 37 129.778 129.899 -0.121 1
1 217 . 12 1 1 A 38 38 SER H H 38 7.438 7.121 0.317 1
1 218 . 12 1 1 A 38 38 SER HA H 38 4.463 4.616 -0.153 1
1 221 . 12 1 1 A 38 38 SER CA C 38 57.098 57.490 -0.392 1
1 222 . 12 1 1 A 38 38 SER CB C 38 63.350 65.553 -2.203 1
1 223 . 12 1 1 A 38 38 SER N N 38 109.846 111.341 -1.495 1
1 224 . 12 1 1 A 39 39 GLU H H 39 8.698 8.861 -0.163 1
1 225 . 12 1 1 A 39 39 GLU HA H 39 5.181 5.309 -0.128 1
1 230 . 12 1 1 A 39 39 GLU CA C 39 55.046 54.797 0.249 1
1 231 . 12 1 1 A 39 39 GLU CB C 39 32.339 32.904 -0.565 1
1 233 . 12 1 1 A 39 39 GLU N N 39 120.149 122.231 -2.082 1
1 234 . 12 1 1 A 40 40 ASN H H 40 8.802 9.265 -0.463 1
1 235 . 12 1 1 A 40 40 ASN HA H 40 4.774 4.986 -0.212 1
1 240 . 12 1 1 A 40 40 ASN CA C 40 54.054 53.227 0.827 1
1 241 . 12 1 1 A 40 40 ASN CB C 40 41.280 41.491 -0.211 1
1 242 . 12 1 1 A 40 40 ASN N N 40 119.687 119.420 0.267 1
1 244 . 12 1 1 A 41 41 SER H H 41 9.138 9.174 -0.036 1
1 245 . 12 1 1 A 41 41 SER HA H 41 4.054 4.155 -0.101 1
1 248 . 12 1 1 A 41 41 SER CA C 41 58.464 59.430 -0.966 1
1 249 . 12 1 1 A 41 41 SER CB C 41 61.911 61.810 0.101 1
1 250 . 12 1 1 A 41 41 SER N N 41 118.754 120.077 -1.323 1
1 251 . 12 1 1 A 42 42 GLY H H 42 8.411 8.376 0.035 1
1 252 . 12 1 1 A 42 42 GLY HA2 H 42 4.080 3.689 0.391 1
1 253 . 12 1 1 A 42 42 GLY HA3 H 42 3.419 3.870 -0.451 1
1 254 . 12 1 1 A 42 42 GLY CA C 42 45.042 45.147 -0.105 1
1 255 . 12 1 1 A 42 42 GLY N N 42 105.488 105.654 -0.166 1
1 256 . 12 1 1 A 43 43 TRP H H 43 8.216 7.660 0.556 1
1 257 . 12 1 1 A 43 43 TRP HA H 43 5.046 5.259 -0.213 1
1 266 . 12 1 1 A 43 43 TRP CA C 43 56.182 55.882 0.300 1
1 267 . 12 1 1 A 43 43 TRP CB C 43 32.162 33.490 -1.328 1
1 273 . 12 1 1 A 43 43 TRP N N 43 122.262 120.973 1.289 1
1 275 . 12 1 1 A 44 44 SER H H 44 10.151 9.309 0.842 1
1 276 . 12 1 1 A 44 44 SER HA H 44 5.028 5.169 -0.141 1
1 279 . 12 1 1 A 44 44 SER CA C 44 58.463 57.737 0.726 1
1 280 . 12 1 1 A 44 44 SER CB C 44 64.198 64.093 0.105 1
1 281 . 12 1 1 A 44 44 SER N N 44 122.494 118.239 4.255 1
1 282 . 12 1 1 A 45 45 LYS H H 45 8.905 9.123 -0.218 1
1 283 . 12 1 1 A 45 45 LYS HA H 45 4.474 4.495 -0.021 1
1 292 . 12 1 1 A 45 45 LYS CA C 45 55.039 56.300 -1.261 1
1 293 . 12 1 1 A 45 45 LYS CB C 45 33.755 33.026 0.729 1
1 297 . 12 1 1 A 45 45 LYS N N 45 128.116 128.304 -0.188 1
1 298 . 12 1 1 A 46 46 ILE H H 46 8.912 9.146 -0.234 1
1 299 . 12 1 1 A 46 46 ILE HA H 46 4.974 4.974 0.000 1
1 309 . 12 1 1 A 46 46 ILE CA C 46 58.570 58.707 -0.137 1
1 310 . 12 1 1 A 46 46 ILE CB C 46 42.651 41.741 0.910 1
1 314 . 12 1 1 A 46 46 ILE N N 46 119.419 120.975 -1.556 1
1 315 . 12 1 1 A 47 47 ASN H H 47 8.855 8.836 0.019 1
1 316 . 12 1 1 A 47 47 ASN HA H 47 5.016 5.421 -0.405 1
1 321 . 12 1 1 A 47 47 ASN CA C 47 52.281 51.238 1.043 1
1 322 . 12 1 1 A 47 47 ASN CB C 47 39.208 39.831 -0.623 1
1 323 . 12 1 1 A 47 47 ASN N N 47 119.209 122.357 -3.148 1
1 325 . 12 1 1 A 48 48 TYR H H 48 9.147 9.319 -0.172 1
1 326 . 12 1 1 A 48 48 TYR HA H 48 4.647 4.859 -0.212 1
1 333 . 12 1 1 A 48 48 TYR CA C 48 56.347 56.967 -0.620 1
1 334 . 12 1 1 A 48 48 TYR CB C 48 39.210 39.352 -0.142 1
1 339 . 12 1 1 A 48 48 TYR N N 48 126.582 128.486 -1.904 1
1 340 . 12 1 1 A 49 49 ASN H H 49 8.807 9.034 -0.227 1
1 341 . 12 1 1 A 49 49 ASN HA H 49 4.110 4.264 -0.154 1
1 346 . 12 1 1 A 49 49 ASN CA C 49 53.309 53.961 -0.652 1
1 347 . 12 1 1 A 49 49 ASN CB C 49 37.118 37.539 -0.421 1
1 348 . 12 1 1 A 49 49 ASN N N 49 125.133 125.559 -0.426 1
1 350 . 12 1 1 A 50 50 GLY H H 50 8.202 8.520 -0.318 1
1 351 . 12 1 1 A 50 50 GLY HA2 H 50 4.149 3.824 0.325 1
1 352 . 12 1 1 A 50 50 GLY HA3 H 50 3.626 3.827 -0.201 1
1 353 . 12 1 1 A 50 50 GLY CA C 50 45.402 45.313 0.089 1
1 354 . 12 1 1 A 50 50 GLY N N 50 104.198 105.137 -0.939 1
1 355 . 12 1 1 A 51 51 GLN H H 51 7.799 7.475 0.324 1
1 356 . 12 1 1 A 51 51 GLN HA H 51 4.651 4.689 -0.038 1
1 363 . 12 1 1 A 51 51 GLN CA C 51 53.530 54.971 -1.441 1
1 364 . 12 1 1 A 51 51 GLN CB C 51 31.653 30.476 1.177 1
1 366 . 12 1 1 A 51 51 GLN N N 51 119.235 118.768 0.467 1
1 368 . 12 1 1 A 52 52 THR H H 52 8.491 8.520 -0.029 1
1 369 . 12 1 1 A 52 52 THR HA H 52 4.546 4.970 -0.424 1
1 374 . 12 1 1 A 52 52 THR CA C 52 62.631 60.380 2.251 1
1 375 . 12 1 1 A 52 52 THR CB C 52 69.224 70.218 -0.994 1
1 377 . 12 1 1 A 52 52 THR N N 52 118.279 118.512 -0.233 1
1 378 . 12 1 1 A 53 53 GLY H H 53 8.406 9.021 -0.615 1
1 379 . 12 1 1 A 53 53 GLY HA2 H 53 4.588 4.308 0.280 1
1 380 . 12 1 1 A 53 53 GLY HA3 H 53 3.115 4.309 -1.194 1
1 381 . 12 1 1 A 53 53 GLY CA C 53 43.338 44.286 -0.948 1
1 382 . 12 1 1 A 53 53 GLY N N 53 111.718 113.096 -1.378 1
1 383 . 12 1 1 A 54 54 TYR H H 54 8.734 8.517 0.217 1
1 384 . 12 1 1 A 54 54 TYR HA H 54 5.667 5.716 -0.049 1
1 391 . 12 1 1 A 54 54 TYR CA C 54 56.403 56.553 -0.150 1
1 392 . 12 1 1 A 54 54 TYR CB C 54 41.962 43.699 -1.737 1
1 397 . 12 1 1 A 54 54 TYR N N 54 116.106 118.778 -2.672 1
1 398 . 12 1 1 A 55 55 ILE H H 55 9.160 8.608 0.552 1
1 399 . 12 1 1 A 55 55 ILE HA H 55 5.318 4.647 0.671 1
1 409 . 12 1 1 A 55 55 ILE CA C 55 58.471 59.121 -0.650 1
1 410 . 12 1 1 A 55 55 ILE CB C 55 42.618 41.868 0.750 1
1 414 . 12 1 1 A 55 55 ILE N N 55 115.023 116.119 -1.096 1
1 415 . 12 1 1 A 56 56 GLY H H 56 9.066 8.492 0.574 1
1 416 . 12 1 1 A 56 56 GLY HA2 H 56 3.612 4.159 -0.547 1
1 417 . 12 1 1 A 56 56 GLY HA3 H 56 3.164 4.366 -1.202 1
1 418 . 12 1 1 A 56 56 GLY CA C 56 46.091 45.871 0.220 1
1 419 . 12 1 1 A 56 56 GLY N N 56 111.661 109.613 2.048 1
1 420 . 12 1 1 A 57 57 THR H H 57 8.142 8.820 -0.678 1
1 421 . 12 1 1 A 57 57 THR HA H 57 3.436 4.198 -0.762 1
1 426 . 12 1 1 A 57 57 THR CA C 57 65.333 64.905 0.428 1
1 427 . 12 1 1 A 57 57 THR CB C 57 68.778 68.202 0.576 1
1 429 . 12 1 1 A 57 57 THR N N 57 124.844 119.389 5.455 1
1 430 . 12 1 1 A 58 58 ARG H H 58 8.261 8.034 0.227 1
1 431 . 12 1 1 A 58 58 ARG HA H 58 3.990 4.226 -0.236 1
1 438 . 12 1 1 A 58 58 ARG CA C 58 57.045 58.532 -1.487 1
1 439 . 12 1 1 A 58 58 ARG CB C 58 28.213 30.995 -2.782 1
1 442 . 12 1 1 A 58 58 ARG N N 58 116.486 119.431 -2.945 1
1 443 . 12 1 1 A 59 59 TYR H H 59 7.298 7.667 -0.369 1
1 444 . 12 1 1 A 59 59 TYR HA H 59 4.775 5.389 -0.614 1
1 451 . 12 1 1 A 59 59 TYR CA C 59 53.961 56.781 -2.820 1
1 452 . 12 1 1 A 59 59 TYR CB C 59 38.522 41.189 -2.667 1
1 457 . 12 1 1 A 59 59 TYR N N 59 118.931 115.370 3.561 1
1 458 . 12 1 1 A 60 60 LEU H H 60 7.430 8.581 -1.151 1
1 459 . 12 1 1 A 60 60 LEU HA H 60 5.028 4.718 0.310 1
1 469 . 12 1 1 A 60 60 LEU CA C 60 52.950 54.442 -1.492 1
1 470 . 12 1 1 A 60 60 LEU CB C 60 44.020 46.069 -2.049 1
1 474 . 12 1 1 A 60 60 LEU N N 60 118.281 125.098 -6.817 1
1 475 . 12 1 1 A 61 61 SER H H 61 8.959 8.819 0.140 1
1 476 . 12 1 1 A 61 61 SER HA H 61 4.894 4.885 0.009 1
1 479 . 12 1 1 A 61 61 SER CA C 61 56.428 56.970 -0.542 1
1 480 . 12 1 1 A 61 61 SER CB C 61 65.345 64.081 1.264 1
1 481 . 12 1 1 A 61 61 SER N N 61 115.830 121.893 -6.063 1
1 482 . 12 1 1 A 62 62 LYS H H 62 8.872 8.540 0.332 1
1 483 . 12 1 1 A 62 62 LYS HA H 62 3.960 4.459 -0.499 1
1 492 . 12 1 1 A 62 62 LYS CA C 62 57.079 54.928 2.151 1
1 493 . 12 1 1 A 62 62 LYS CB C 62 33.016 34.620 -1.604 1
1 497 . 12 1 1 A 62 62 LYS N N 62 125.311 127.459 -2.148 1
1 498 . 12 1 1 A 63 63 LEU H H 63 7.997 8.580 -0.583 1
1 499 . 12 1 1 A 63 63 LEU HA H 63 4.328 4.023 0.305 1
1 509 . 12 1 1 A 63 63 LEU CA C 63 54.323 57.267 -2.944 1
1 510 . 12 1 1 A 63 63 LEU CB C 63 42.672 42.558 0.114 1
1 514 . 12 1 1 A 63 63 LEU N N 63 121.820 122.073 -0.253 1
1 515 . 12 1 1 A 64 64 GLU H H 64 8.274 8.149 0.125 1
1 1 . 13 1 1 A 3 3 GLY H H 3 8.337 8.426 -0.089 1
1 2 . 13 1 1 A 3 3 GLY HA2 H 3 4.308 4.099 0.209 1
1 3 . 13 1 1 A 3 3 GLY HA3 H 3 3.880 4.183 -0.303 1
1 4 . 13 1 1 A 3 3 GLY CA C 3 44.714 45.405 -0.691 1
1 5 . 13 1 1 A 4 4 ASP H H 4 8.223 8.058 0.165 1
1 6 . 13 1 1 A 4 4 ASP HA H 4 5.315 4.132 1.183 1
1 9 . 13 1 1 A 4 4 ASP CA C 4 58.458 56.613 1.845 1
1 10 . 13 1 1 A 4 4 ASP CB C 4 41.275 38.373 2.902 1
1 11 . 13 1 1 A 4 4 ASP N N 4 119.687 115.218 4.469 1
1 12 . 13 1 1 A 8 8 ASN H H 8 9.232 8.639 0.593 1
1 13 . 13 1 1 A 8 8 ASN HA H 8 5.076 4.859 0.217 1
1 16 . 13 1 1 A 8 8 ASN CA C 8 52.276 51.949 0.327 1
1 17 . 13 1 1 A 8 8 ASN CB C 8 38.566 38.669 -0.103 1
1 18 . 13 1 1 A 8 8 ASN N N 8 129.984 126.640 3.344 1
1 19 . 13 1 1 A 13 13 ASN H H 13 8.616 8.230 0.386 1
1 20 . 13 1 1 A 13 13 ASN HA H 13 5.024 4.636 0.388 1
1 25 . 13 1 1 A 13 13 ASN CA C 13 52.945 55.639 -2.694 1
1 26 . 13 1 1 A 13 13 ASN CB C 13 39.596 38.696 0.900 1
1 27 . 13 1 1 A 13 13 ASN N N 13 122.544 122.663 -0.119 1
1 29 . 13 1 1 A 14 14 VAL H H 14 8.619 7.668 0.951 1
1 30 . 13 1 1 A 14 14 VAL HA H 14 4.133 3.562 0.571 1
1 38 . 13 1 1 A 14 14 VAL CA C 14 61.096 66.264 -5.168 1
1 39 . 13 1 1 A 14 14 VAL CB C 14 32.009 31.547 0.462 1
1 42 . 13 1 1 A 14 14 VAL N N 14 122.742 120.213 2.529 1
1 43 . 13 1 1 A 15 15 ARG H H 15 9.322 7.862 1.460 1
1 44 . 13 1 1 A 15 15 ARG HA H 15 5.514 4.164 1.350 1
1 51 . 13 1 1 A 15 15 ARG CA C 15 53.646 57.195 -3.549 1
1 52 . 13 1 1 A 15 15 ARG CB C 15 34.426 27.894 6.532 1
1 55 . 13 1 1 A 15 15 ARG N N 15 125.781 119.410 6.371 1
1 56 . 13 1 1 A 16 16 SER H H 16 8.730 8.421 0.309 1
1 57 . 13 1 1 A 16 16 SER HA H 16 4.470 3.965 0.505 1
1 60 . 13 1 1 A 16 16 SER CA C 16 59.017 59.284 -0.267 1
1 61 . 13 1 1 A 16 16 SER CB C 16 19.276 61.405 -42.129 1
1 62 . 13 1 1 A 16 16 SER N N 16 112.631 106.672 5.959 1
1 63 . 13 1 1 A 18 18 GLU H H 18 6.979 8.939 -1.960 1
1 64 . 13 1 1 A 18 18 GLU HA H 18 4.421 3.868 0.553 1
1 69 . 13 1 1 A 18 18 GLU N N 18 113.293 126.340 -13.047 1
1 70 . 13 1 1 A 19 19 GLY H H 19 6.314 7.757 -1.443 1
1 71 . 13 1 1 A 19 19 GLY HA2 H 19 4.306 3.982 0.324 1
1 72 . 13 1 1 A 19 19 GLY HA3 H 19 3.916 3.994 -0.078 1
1 73 . 13 1 1 A 19 19 GLY CA C 19 45.334 45.798 -0.464 1
1 74 . 13 1 1 A 19 19 GLY N N 19 110.212 107.981 2.231 1
1 75 . 13 1 1 A 20 20 THR H H 20 8.804 8.076 0.728 1
1 76 . 13 1 1 A 20 20 THR HA H 20 4.078 4.160 -0.082 1
1 81 . 13 1 1 A 20 20 THR CA C 20 63.267 65.074 -1.807 1
1 82 . 13 1 1 A 20 20 THR CB C 20 68.097 68.210 -0.113 1
1 84 . 13 1 1 A 20 20 THR N N 20 110.310 113.231 -2.921 1
1 85 . 13 1 1 A 21 21 ASN H H 21 8.752 8.016 0.736 1
1 86 . 13 1 1 A 21 21 ASN HA H 21 4.580 4.706 -0.126 1
1 91 . 13 1 1 A 21 21 ASN CA C 21 52.935 52.128 0.807 1
1 92 . 13 1 1 A 21 21 ASN CB C 21 36.494 37.839 -1.345 1
1 93 . 13 1 1 A 21 21 ASN N N 21 115.437 117.669 -2.232 1
1 95 . 13 1 1 A 22 22 TYR H H 22 6.870 7.647 -0.777 1
1 96 . 13 1 1 A 22 22 TYR HA H 22 4.277 4.520 -0.243 1
1 103 . 13 1 1 A 22 22 TYR CA C 22 58.483 57.971 0.512 1
1 104 . 13 1 1 A 22 22 TYR CB C 22 39.094 38.638 0.456 1
1 109 . 13 1 1 A 22 22 TYR N N 22 118.413 121.898 -3.485 1
1 110 . 13 1 1 A 23 23 ARG H H 23 8.107 8.380 -0.273 1
1 111 . 13 1 1 A 23 23 ARG HA H 23 4.135 4.210 -0.075 1
1 118 . 13 1 1 A 23 23 ARG CA C 23 56.315 58.426 -2.111 1
1 119 . 13 1 1 A 23 23 ARG CB C 23 30.936 29.924 1.012 1
1 122 . 13 1 1 A 23 23 ARG N N 23 120.620 120.346 0.274 1
1 123 . 13 1 1 A 24 24 ILE H H 24 8.535 7.780 0.755 1
1 124 . 13 1 1 A 24 24 ILE HA H 24 4.296 4.112 0.184 1
1 134 . 13 1 1 A 24 24 ILE CA C 24 61.695 63.580 -1.885 1
1 135 . 13 1 1 A 24 24 ILE CB C 24 37.876 38.898 -1.022 1
1 139 . 13 1 1 A 24 24 ILE N N 24 121.314 119.008 2.306 1
1 140 . 13 1 1 A 25 25 ILE H H 25 8.995 7.364 1.631 1
1 141 . 13 1 1 A 25 25 ILE HA H 25 4.542 4.455 0.087 1
1 151 . 13 1 1 A 25 25 ILE CA C 25 60.963 59.156 1.807 1
1 152 . 13 1 1 A 25 25 ILE CB C 25 38.523 41.092 -2.569 1
1 156 . 13 1 1 A 25 25 ILE N N 25 121.558 119.461 2.097 1
1 157 . 13 1 1 A 26 26 GLY H H 26 7.396 8.317 -0.921 1
1 158 . 13 1 1 A 26 26 GLY HA2 H 26 4.140 4.002 0.138 1
1 159 . 13 1 1 A 26 26 GLY HA3 H 26 4.002 4.026 -0.024 1
1 160 . 13 1 1 A 26 26 GLY CA C 26 44.715 46.076 -1.361 1
1 161 . 13 1 1 A 26 26 GLY N N 26 108.443 113.442 -4.999 1
1 162 . 13 1 1 A 27 27 ALA H H 27 7.996 7.942 0.054 1
1 163 . 13 1 1 A 27 27 ALA HA H 27 5.211 4.445 0.766 1
1 167 . 13 1 1 A 27 27 ALA CA C 27 50.903 51.497 -0.594 1
1 168 . 13 1 1 A 27 27 ALA CB C 27 21.348 20.019 1.329 1
1 169 . 13 1 1 A 27 27 ALA N N 27 120.625 123.117 -2.492 1
1 170 . 13 1 1 A 29 29 PRO HA H 29 4.952 4.482 0.470 1
1 177 . 13 1 1 A 29 29 PRO CA C 29 50.614 63.609 -12.995 1
1 178 . 13 1 1 A 29 29 PRO CB C 29 26.144 32.566 -6.422 1
1 181 . 13 1 1 A 32 32 GLN H H 32 9.259 8.367 0.892 1
1 182 . 13 1 1 A 32 32 GLN HA H 32 5.443 4.037 1.406 1
1 183 . 13 1 1 A 32 32 GLN CA C 32 55.719 59.056 -3.337 1
1 184 . 13 1 1 A 32 32 GLN N N 32 116.392 120.498 -4.106 1
1 185 . 13 1 1 A 34 34 VAL H H 34 8.618 7.657 0.961 1
1 186 . 13 1 1 A 34 34 VAL HA H 34 4.132 4.702 -0.570 1
1 194 . 13 1 1 A 34 34 VAL CA C 34 61.096 61.414 -0.318 1
1 195 . 13 1 1 A 34 34 VAL CB C 34 32.009 33.908 -1.899 1
1 198 . 13 1 1 A 34 34 VAL N N 34 122.742 120.352 2.390 1
1 200 . 13 1 1 A 37 37 ILE H H 37 9.258 8.936 0.322 1
1 201 . 13 1 1 A 37 37 ILE HA H 37 3.892 4.144 -0.252 1
1 211 . 13 1 1 A 37 37 ILE CA C 37 63.577 62.639 0.938 1
1 212 . 13 1 1 A 37 37 ILE CB C 37 39.554 38.354 1.200 1
1 216 . 13 1 1 A 37 37 ILE N N 37 129.778 128.820 0.958 1
1 217 . 13 1 1 A 38 38 SER H H 38 7.438 7.446 -0.008 1
1 218 . 13 1 1 A 38 38 SER HA H 38 4.463 4.656 -0.193 1
1 221 . 13 1 1 A 38 38 SER CA C 38 57.098 57.532 -0.434 1
1 222 . 13 1 1 A 38 38 SER CB C 38 63.350 65.316 -1.966 1
1 223 . 13 1 1 A 38 38 SER N N 38 109.846 111.101 -1.255 1
1 224 . 13 1 1 A 39 39 GLU H H 39 8.698 8.810 -0.112 1
1 225 . 13 1 1 A 39 39 GLU HA H 39 5.181 5.279 -0.098 1
1 230 . 13 1 1 A 39 39 GLU CA C 39 55.046 54.654 0.392 1
1 231 . 13 1 1 A 39 39 GLU CB C 39 32.339 33.751 -1.412 1
1 233 . 13 1 1 A 39 39 GLU N N 39 120.149 123.100 -2.951 1
1 234 . 13 1 1 A 40 40 ASN H H 40 8.802 9.624 -0.822 1
1 235 . 13 1 1 A 40 40 ASN HA H 40 4.774 4.970 -0.196 1
1 240 . 13 1 1 A 40 40 ASN CA C 40 54.054 53.212 0.842 1
1 241 . 13 1 1 A 40 40 ASN CB C 40 41.280 41.105 0.175 1
1 242 . 13 1 1 A 40 40 ASN N N 40 119.687 119.517 0.170 1
1 244 . 13 1 1 A 41 41 SER H H 41 9.138 9.404 -0.266 1
1 245 . 13 1 1 A 41 41 SER HA H 41 4.054 4.095 -0.041 1
1 248 . 13 1 1 A 41 41 SER CA C 41 58.464 59.212 -0.748 1
1 249 . 13 1 1 A 41 41 SER CB C 41 61.911 62.135 -0.224 1
1 250 . 13 1 1 A 41 41 SER N N 41 118.754 121.778 -3.024 1
1 251 . 13 1 1 A 42 42 GLY H H 42 8.411 8.438 -0.027 1
1 252 . 13 1 1 A 42 42 GLY HA2 H 42 4.080 3.837 0.243 1
1 253 . 13 1 1 A 42 42 GLY HA3 H 42 3.419 3.918 -0.499 1
1 254 . 13 1 1 A 42 42 GLY CA C 42 45.042 45.386 -0.344 1
1 255 . 13 1 1 A 42 42 GLY N N 42 105.488 105.610 -0.122 1
1 256 . 13 1 1 A 43 43 TRP H H 43 8.216 7.568 0.648 1
1 257 . 13 1 1 A 43 43 TRP HA H 43 5.046 5.154 -0.108 1
1 266 . 13 1 1 A 43 43 TRP CA C 43 56.182 56.017 0.165 1
1 267 . 13 1 1 A 43 43 TRP CB C 43 32.162 32.945 -0.783 1
1 273 . 13 1 1 A 43 43 TRP N N 43 122.262 121.271 0.991 1
1 275 . 13 1 1 A 44 44 SER H H 44 10.151 9.699 0.452 1
1 276 . 13 1 1 A 44 44 SER HA H 44 5.028 5.094 -0.066 1
1 279 . 13 1 1 A 44 44 SER CA C 44 58.463 58.294 0.169 1
1 280 . 13 1 1 A 44 44 SER CB C 44 64.198 64.361 -0.163 1
1 281 . 13 1 1 A 44 44 SER N N 44 122.494 118.939 3.555 1
1 282 . 13 1 1 A 45 45 LYS H H 45 8.905 9.023 -0.118 1
1 283 . 13 1 1 A 45 45 LYS HA H 45 4.474 4.639 -0.165 1
1 292 . 13 1 1 A 45 45 LYS CA C 45 55.039 54.998 0.041 1
1 293 . 13 1 1 A 45 45 LYS CB C 45 33.755 33.922 -0.167 1
1 297 . 13 1 1 A 45 45 LYS N N 45 128.116 126.362 1.754 1
1 298 . 13 1 1 A 46 46 ILE H H 46 8.912 8.791 0.121 1
1 299 . 13 1 1 A 46 46 ILE HA H 46 4.974 4.796 0.178 1
1 309 . 13 1 1 A 46 46 ILE CA C 46 58.570 58.580 -0.010 1
1 310 . 13 1 1 A 46 46 ILE CB C 46 42.651 42.376 0.275 1
1 314 . 13 1 1 A 46 46 ILE N N 46 119.419 120.268 -0.849 1
1 315 . 13 1 1 A 47 47 ASN H H 47 8.855 8.927 -0.072 1
1 316 . 13 1 1 A 47 47 ASN HA H 47 5.016 5.378 -0.362 1
1 321 . 13 1 1 A 47 47 ASN CA C 47 52.281 51.410 0.871 1
1 322 . 13 1 1 A 47 47 ASN CB C 47 39.208 40.457 -1.249 1
1 323 . 13 1 1 A 47 47 ASN N N 47 119.209 120.775 -1.566 1
1 325 . 13 1 1 A 48 48 TYR H H 48 9.147 9.353 -0.206 1
1 326 . 13 1 1 A 48 48 TYR HA H 48 4.647 4.813 -0.166 1
1 333 . 13 1 1 A 48 48 TYR CA C 48 56.347 57.576 -1.229 1
1 334 . 13 1 1 A 48 48 TYR CB C 48 39.210 40.695 -1.485 1
1 339 . 13 1 1 A 48 48 TYR N N 48 126.582 128.393 -1.811 1
1 340 . 13 1 1 A 49 49 ASN H H 49 8.807 9.129 -0.322 1
1 341 . 13 1 1 A 49 49 ASN HA H 49 4.110 4.243 -0.133 1
1 346 . 13 1 1 A 49 49 ASN CA C 49 53.309 53.905 -0.596 1
1 347 . 13 1 1 A 49 49 ASN CB C 49 37.118 37.302 -0.184 1
1 348 . 13 1 1 A 49 49 ASN N N 49 125.133 126.034 -0.901 1
1 350 . 13 1 1 A 50 50 GLY H H 50 8.202 8.039 0.163 1
1 351 . 13 1 1 A 50 50 GLY HA2 H 50 4.149 3.816 0.333 1
1 352 . 13 1 1 A 50 50 GLY HA3 H 50 3.626 3.816 -0.190 1
1 353 . 13 1 1 A 50 50 GLY CA C 50 45.402 45.389 0.013 1
1 354 . 13 1 1 A 50 50 GLY N N 50 104.198 104.147 0.051 1
1 355 . 13 1 1 A 51 51 GLN H H 51 7.799 7.513 0.286 1
1 356 . 13 1 1 A 51 51 GLN HA H 51 4.651 4.896 -0.245 1
1 363 . 13 1 1 A 51 51 GLN CA C 51 53.530 53.763 -0.233 1
1 364 . 13 1 1 A 51 51 GLN CB C 51 31.653 31.658 -0.005 1
1 366 . 13 1 1 A 51 51 GLN N N 51 119.235 115.482 3.753 1
1 368 . 13 1 1 A 52 52 THR H H 52 8.491 8.640 -0.149 1
1 369 . 13 1 1 A 52 52 THR HA H 52 4.546 4.349 0.197 1
1 374 . 13 1 1 A 52 52 THR CA C 52 62.631 63.211 -0.580 1
1 375 . 13 1 1 A 52 52 THR CB C 52 69.224 68.624 0.600 1
1 377 . 13 1 1 A 52 52 THR N N 52 118.279 117.539 0.740 1
1 378 . 13 1 1 A 53 53 GLY H H 53 8.406 8.785 -0.379 1
1 379 . 13 1 1 A 53 53 GLY HA2 H 53 4.588 4.336 0.252 1
1 380 . 13 1 1 A 53 53 GLY HA3 H 53 3.115 4.379 -1.264 1
1 381 . 13 1 1 A 53 53 GLY CA C 53 43.338 44.308 -0.970 1
1 382 . 13 1 1 A 53 53 GLY N N 53 111.718 113.461 -1.743 1
1 383 . 13 1 1 A 54 54 TYR H H 54 8.734 8.531 0.203 1
1 384 . 13 1 1 A 54 54 TYR HA H 54 5.667 5.632 0.035 1
1 391 . 13 1 1 A 54 54 TYR CA C 54 56.403 56.372 0.031 1
1 392 . 13 1 1 A 54 54 TYR CB C 54 41.962 43.248 -1.286 1
1 397 . 13 1 1 A 54 54 TYR N N 54 116.106 118.957 -2.851 1
1 398 . 13 1 1 A 55 55 ILE H H 55 9.160 8.895 0.265 1
1 399 . 13 1 1 A 55 55 ILE HA H 55 5.318 4.627 0.691 1
1 409 . 13 1 1 A 55 55 ILE CA C 55 58.471 58.928 -0.457 1
1 410 . 13 1 1 A 55 55 ILE CB C 55 42.618 41.940 0.678 1
1 414 . 13 1 1 A 55 55 ILE N N 55 115.023 116.337 -1.314 1
1 415 . 13 1 1 A 56 56 GLY H H 56 9.066 8.636 0.430 1
1 416 . 13 1 1 A 56 56 GLY HA2 H 56 3.612 4.274 -0.662 1
1 417 . 13 1 1 A 56 56 GLY HA3 H 56 3.164 4.315 -1.151 1
1 418 . 13 1 1 A 56 56 GLY CA C 56 46.091 44.110 1.981 1
1 419 . 13 1 1 A 56 56 GLY N N 56 111.661 109.298 2.363 1
1 420 . 13 1 1 A 57 57 THR H H 57 8.142 9.167 -1.025 1
1 421 . 13 1 1 A 57 57 THR HA H 57 3.436 4.207 -0.771 1
1 426 . 13 1 1 A 57 57 THR CA C 57 65.333 65.030 0.303 1
1 427 . 13 1 1 A 57 57 THR CB C 57 68.778 69.174 -0.396 1
1 429 . 13 1 1 A 57 57 THR N N 57 124.844 115.016 9.828 1
1 430 . 13 1 1 A 58 58 ARG H H 58 8.261 7.808 0.453 1
1 431 . 13 1 1 A 58 58 ARG HA H 58 3.990 4.369 -0.379 1
1 438 . 13 1 1 A 58 58 ARG CA C 58 57.045 57.835 -0.790 1
1 439 . 13 1 1 A 58 58 ARG CB C 58 28.213 31.503 -3.290 1
1 442 . 13 1 1 A 58 58 ARG N N 58 116.486 118.761 -2.275 1
1 443 . 13 1 1 A 59 59 TYR H H 59 7.298 8.104 -0.806 1
1 444 . 13 1 1 A 59 59 TYR HA H 59 4.775 5.012 -0.237 1
1 451 . 13 1 1 A 59 59 TYR CA C 59 53.961 57.420 -3.459 1
1 452 . 13 1 1 A 59 59 TYR CB C 59 38.522 39.033 -0.511 1
1 457 . 13 1 1 A 59 59 TYR N N 59 118.931 116.784 2.147 1
1 458 . 13 1 1 A 60 60 LEU H H 60 7.430 8.946 -1.516 1
1 459 . 13 1 1 A 60 60 LEU HA H 60 5.028 4.876 0.152 1
1 469 . 13 1 1 A 60 60 LEU CA C 60 52.950 53.616 -0.666 1
1 470 . 13 1 1 A 60 60 LEU CB C 60 44.020 46.886 -2.866 1
1 474 . 13 1 1 A 60 60 LEU N N 60 118.281 125.325 -7.044 1
1 475 . 13 1 1 A 61 61 SER H H 61 8.959 8.854 0.105 1
1 476 . 13 1 1 A 61 61 SER HA H 61 4.894 5.174 -0.280 1
1 479 . 13 1 1 A 61 61 SER CA C 61 56.428 56.660 -0.232 1
1 480 . 13 1 1 A 61 61 SER CB C 61 65.345 64.769 0.576 1
1 481 . 13 1 1 A 61 61 SER N N 61 115.830 116.306 -0.476 1
1 482 . 13 1 1 A 62 62 LYS H H 62 8.872 8.555 0.317 1
1 483 . 13 1 1 A 62 62 LYS HA H 62 3.960 4.587 -0.627 1
1 492 . 13 1 1 A 62 62 LYS CA C 62 57.079 54.054 3.025 1
1 493 . 13 1 1 A 62 62 LYS CB C 62 33.016 34.902 -1.886 1
1 497 . 13 1 1 A 62 62 LYS N N 62 125.311 128.310 -2.999 1
1 498 . 13 1 1 A 63 63 LEU H H 63 7.997 8.465 -0.468 1
1 499 . 13 1 1 A 63 63 LEU HA H 63 4.328 4.129 0.199 1
1 509 . 13 1 1 A 63 63 LEU CA C 63 54.323 57.984 -3.661 1
1 510 . 13 1 1 A 63 63 LEU CB C 63 42.672 41.982 0.690 1
1 514 . 13 1 1 A 63 63 LEU N N 63 121.820 123.324 -1.504 1
1 515 . 13 1 1 A 64 64 GLU H H 64 8.274 8.074 0.200 1
1 1 . 14 1 1 A 3 3 GLY H H 3 8.337 8.313 0.024 1
1 2 . 14 1 1 A 3 3 GLY HA2 H 3 4.308 3.902 0.406 1
1 3 . 14 1 1 A 3 3 GLY HA3 H 3 3.880 3.980 -0.100 1
1 4 . 14 1 1 A 3 3 GLY CA C 3 44.714 45.737 -1.023 1
1 5 . 14 1 1 A 4 4 ASP H H 4 8.223 7.485 0.738 1
1 6 . 14 1 1 A 4 4 ASP HA H 4 5.315 3.963 1.352 1
1 9 . 14 1 1 A 4 4 ASP CA C 4 58.458 55.271 3.187 1
1 10 . 14 1 1 A 4 4 ASP CB C 4 41.275 40.347 0.928 1
1 11 . 14 1 1 A 4 4 ASP N N 4 119.687 120.257 -0.570 1
1 12 . 14 1 1 A 8 8 ASN H H 8 9.232 8.871 0.361 1
1 13 . 14 1 1 A 8 8 ASN HA H 8 5.076 5.057 0.019 1
1 16 . 14 1 1 A 8 8 ASN CA C 8 52.276 52.648 -0.372 1
1 17 . 14 1 1 A 8 8 ASN CB C 8 38.566 37.524 1.042 1
1 18 . 14 1 1 A 8 8 ASN N N 8 129.984 126.475 3.509 1
1 19 . 14 1 1 A 13 13 ASN H H 13 8.616 8.683 -0.067 1
1 20 . 14 1 1 A 13 13 ASN HA H 13 5.024 5.081 -0.057 1
1 25 . 14 1 1 A 13 13 ASN CA C 13 52.945 54.766 -1.821 1
1 26 . 14 1 1 A 13 13 ASN CB C 13 39.596 40.478 -0.882 1
1 27 . 14 1 1 A 13 13 ASN N N 13 122.544 122.680 -0.136 1
1 29 . 14 1 1 A 14 14 VAL H H 14 8.619 7.470 1.149 1
1 30 . 14 1 1 A 14 14 VAL HA H 14 4.133 4.402 -0.269 1
1 38 . 14 1 1 A 14 14 VAL CA C 14 61.096 61.661 -0.565 1
1 39 . 14 1 1 A 14 14 VAL CB C 14 32.009 29.653 2.356 1
1 42 . 14 1 1 A 14 14 VAL N N 14 122.742 119.085 3.657 1
1 43 . 14 1 1 A 15 15 ARG H H 15 9.322 8.178 1.144 1
1 44 . 14 1 1 A 15 15 ARG HA H 15 5.514 3.820 1.694 1
1 51 . 14 1 1 A 15 15 ARG CA C 15 53.646 59.197 -5.551 1
1 52 . 14 1 1 A 15 15 ARG CB C 15 34.426 30.139 4.287 1
1 55 . 14 1 1 A 15 15 ARG N N 15 125.781 124.504 1.277 1
1 56 . 14 1 1 A 16 16 SER H H 16 8.730 7.489 1.241 1
1 57 . 14 1 1 A 16 16 SER HA H 16 4.470 4.194 0.276 1
1 60 . 14 1 1 A 16 16 SER CA C 16 59.017 59.255 -0.238 1
1 61 . 14 1 1 A 16 16 SER CB C 16 19.276 61.003 -41.727 1
1 62 . 14 1 1 A 16 16 SER N N 16 112.631 111.931 0.700 1
1 63 . 14 1 1 A 18 18 GLU H H 18 6.979 8.735 -1.756 1
1 64 . 14 1 1 A 18 18 GLU HA H 18 4.421 4.097 0.324 1
1 69 . 14 1 1 A 18 18 GLU N N 18 113.293 119.222 -5.929 1
1 70 . 14 1 1 A 19 19 GLY H H 19 6.314 7.928 -1.614 1
1 71 . 14 1 1 A 19 19 GLY HA2 H 19 4.306 4.209 0.097 1
1 72 . 14 1 1 A 19 19 GLY HA3 H 19 3.916 4.278 -0.362 1
1 73 . 14 1 1 A 19 19 GLY CA C 19 45.334 46.355 -1.021 1
1 74 . 14 1 1 A 19 19 GLY N N 19 110.212 108.734 1.478 1
1 75 . 14 1 1 A 20 20 THR H H 20 8.804 8.056 0.748 1
1 76 . 14 1 1 A 20 20 THR HA H 20 4.078 4.662 -0.584 1
1 81 . 14 1 1 A 20 20 THR CA C 20 63.267 61.302 1.965 1
1 82 . 14 1 1 A 20 20 THR CB C 20 68.097 70.826 -2.729 1
1 84 . 14 1 1 A 20 20 THR N N 20 110.310 108.733 1.577 1
1 85 . 14 1 1 A 21 21 ASN H H 21 8.752 8.375 0.377 1
1 86 . 14 1 1 A 21 21 ASN HA H 21 4.580 4.617 -0.037 1
1 91 . 14 1 1 A 21 21 ASN CA C 21 52.935 53.822 -0.887 1
1 92 . 14 1 1 A 21 21 ASN CB C 21 36.494 37.125 -0.631 1
1 93 . 14 1 1 A 21 21 ASN N N 21 115.437 119.568 -4.131 1
1 95 . 14 1 1 A 22 22 TYR H H 22 6.870 8.982 -2.112 1
1 96 . 14 1 1 A 22 22 TYR HA H 22 4.277 4.710 -0.433 1
1 103 . 14 1 1 A 22 22 TYR CA C 22 58.483 59.414 -0.931 1
1 104 . 14 1 1 A 22 22 TYR CB C 22 39.094 40.654 -1.560 1
1 109 . 14 1 1 A 22 22 TYR N N 22 118.413 123.459 -5.046 1
1 110 . 14 1 1 A 23 23 ARG H H 23 8.107 8.289 -0.182 1
1 111 . 14 1 1 A 23 23 ARG HA H 23 4.135 4.518 -0.383 1
1 118 . 14 1 1 A 23 23 ARG CA C 23 56.315 56.010 0.305 1
1 119 . 14 1 1 A 23 23 ARG CB C 23 30.936 31.788 -0.852 1
1 122 . 14 1 1 A 23 23 ARG N N 23 120.620 116.524 4.096 1
1 123 . 14 1 1 A 24 24 ILE H H 24 8.535 7.708 0.827 1
1 124 . 14 1 1 A 24 24 ILE HA H 24 4.296 3.891 0.405 1
1 134 . 14 1 1 A 24 24 ILE CA C 24 61.695 64.531 -2.836 1
1 135 . 14 1 1 A 24 24 ILE CB C 24 37.876 38.434 -0.558 1
1 139 . 14 1 1 A 24 24 ILE N N 24 121.314 119.622 1.692 1
1 140 . 14 1 1 A 25 25 ILE H H 25 8.995 7.485 1.510 1
1 141 . 14 1 1 A 25 25 ILE HA H 25 4.542 4.607 -0.065 1
1 151 . 14 1 1 A 25 25 ILE CA C 25 60.963 59.288 1.675 1
1 152 . 14 1 1 A 25 25 ILE CB C 25 38.523 42.028 -3.505 1
1 156 . 14 1 1 A 25 25 ILE N N 25 121.558 119.587 1.971 1
1 157 . 14 1 1 A 26 26 GLY H H 26 7.396 8.412 -1.016 1
1 158 . 14 1 1 A 26 26 GLY HA2 H 26 4.140 3.997 0.143 1
1 159 . 14 1 1 A 26 26 GLY HA3 H 26 4.002 4.022 -0.020 1
1 160 . 14 1 1 A 26 26 GLY CA C 26 44.715 44.907 -0.192 1
1 161 . 14 1 1 A 26 26 GLY N N 26 108.443 112.214 -3.771 1
1 162 . 14 1 1 A 27 27 ALA H H 27 7.996 8.442 -0.446 1
1 163 . 14 1 1 A 27 27 ALA HA H 27 5.211 4.839 0.372 1
1 167 . 14 1 1 A 27 27 ALA CA C 27 50.903 50.841 0.062 1
1 168 . 14 1 1 A 27 27 ALA CB C 27 21.348 19.837 1.511 1
1 169 . 14 1 1 A 27 27 ALA N N 27 120.625 125.663 -5.038 1
1 170 . 14 1 1 A 29 29 PRO HA H 29 4.952 4.740 0.212 1
1 177 . 14 1 1 A 29 29 PRO CA C 29 50.614 63.628 -13.014 1
1 178 . 14 1 1 A 29 29 PRO CB C 29 26.144 32.430 -6.286 1
1 181 . 14 1 1 A 32 32 GLN H H 32 9.259 8.754 0.505 1
1 182 . 14 1 1 A 32 32 GLN HA H 32 5.443 4.046 1.397 1
1 183 . 14 1 1 A 32 32 GLN CA C 32 55.719 57.752 -2.033 1
1 184 . 14 1 1 A 32 32 GLN N N 32 116.392 120.634 -4.242 1
1 185 . 14 1 1 A 34 34 VAL H H 34 8.618 7.203 1.415 1
1 186 . 14 1 1 A 34 34 VAL HA H 34 4.132 4.620 -0.488 1
1 194 . 14 1 1 A 34 34 VAL CA C 34 61.096 61.561 -0.465 1
1 195 . 14 1 1 A 34 34 VAL CB C 34 32.009 33.859 -1.850 1
1 198 . 14 1 1 A 34 34 VAL N N 34 122.742 120.113 2.629 1
1 200 . 14 1 1 A 37 37 ILE H H 37 9.258 8.561 0.697 1
1 201 . 14 1 1 A 37 37 ILE HA H 37 3.892 4.090 -0.198 1
1 211 . 14 1 1 A 37 37 ILE CA C 37 63.577 62.990 0.587 1
1 212 . 14 1 1 A 37 37 ILE CB C 37 39.554 38.390 1.164 1
1 216 . 14 1 1 A 37 37 ILE N N 37 129.778 129.204 0.574 1
1 217 . 14 1 1 A 38 38 SER H H 38 7.438 7.697 -0.259 1
1 218 . 14 1 1 A 38 38 SER HA H 38 4.463 5.060 -0.597 1
1 221 . 14 1 1 A 38 38 SER CA C 38 57.098 57.741 -0.643 1
1 222 . 14 1 1 A 38 38 SER CB C 38 63.350 67.435 -4.085 1
1 223 . 14 1 1 A 38 38 SER N N 38 109.846 113.886 -4.040 1
1 224 . 14 1 1 A 39 39 GLU H H 39 8.698 8.917 -0.219 1
1 225 . 14 1 1 A 39 39 GLU HA H 39 5.181 5.080 0.101 1
1 230 . 14 1 1 A 39 39 GLU CA C 39 55.046 54.565 0.481 1
1 231 . 14 1 1 A 39 39 GLU CB C 39 32.339 33.538 -1.199 1
1 233 . 14 1 1 A 39 39 GLU N N 39 120.149 119.546 0.603 1
1 234 . 14 1 1 A 40 40 ASN H H 40 8.802 8.795 0.007 1
1 235 . 14 1 1 A 40 40 ASN HA H 40 4.774 5.132 -0.358 1
1 240 . 14 1 1 A 40 40 ASN CA C 40 54.054 51.811 2.243 1
1 241 . 14 1 1 A 40 40 ASN CB C 40 41.280 41.300 -0.020 1
1 242 . 14 1 1 A 40 40 ASN N N 40 119.687 122.053 -2.366 1
1 244 . 14 1 1 A 41 41 SER H H 41 9.138 8.760 0.378 1
1 245 . 14 1 1 A 41 41 SER HA H 41 4.054 4.493 -0.439 1
1 248 . 14 1 1 A 41 41 SER CA C 41 58.464 57.822 0.642 1
1 249 . 14 1 1 A 41 41 SER CB C 41 61.911 61.774 0.137 1
1 250 . 14 1 1 A 41 41 SER N N 41 118.754 116.281 2.473 1
1 251 . 14 1 1 A 42 42 GLY H H 42 8.411 8.218 0.193 1
1 252 . 14 1 1 A 42 42 GLY HA2 H 42 4.080 4.081 -0.001 1
1 253 . 14 1 1 A 42 42 GLY HA3 H 42 3.419 4.165 -0.746 1
1 254 . 14 1 1 A 42 42 GLY CA C 42 45.042 46.194 -1.152 1
1 255 . 14 1 1 A 42 42 GLY N N 42 105.488 109.551 -4.063 1
1 256 . 14 1 1 A 43 43 TRP H H 43 8.216 8.482 -0.266 1
1 257 . 14 1 1 A 43 43 TRP HA H 43 5.046 5.626 -0.580 1
1 266 . 14 1 1 A 43 43 TRP CA C 43 56.182 55.959 0.223 1
1 267 . 14 1 1 A 43 43 TRP CB C 43 32.162 32.774 -0.612 1
1 273 . 14 1 1 A 43 43 TRP N N 43 122.262 120.635 1.627 1
1 275 . 14 1 1 A 44 44 SER H H 44 10.151 9.570 0.581 1
1 276 . 14 1 1 A 44 44 SER HA H 44 5.028 5.138 -0.110 1
1 279 . 14 1 1 A 44 44 SER CA C 44 58.463 57.899 0.564 1
1 280 . 14 1 1 A 44 44 SER CB C 44 64.198 64.395 -0.197 1
1 281 . 14 1 1 A 44 44 SER N N 44 122.494 119.531 2.963 1
1 282 . 14 1 1 A 45 45 LYS H H 45 8.905 8.672 0.233 1
1 283 . 14 1 1 A 45 45 LYS HA H 45 4.474 4.754 -0.280 1
1 292 . 14 1 1 A 45 45 LYS CA C 45 55.039 56.550 -1.511 1
1 293 . 14 1 1 A 45 45 LYS CB C 45 33.755 33.068 0.687 1
1 297 . 14 1 1 A 45 45 LYS N N 45 128.116 126.083 2.033 1
1 298 . 14 1 1 A 46 46 ILE H H 46 8.912 8.504 0.408 1
1 299 . 14 1 1 A 46 46 ILE HA H 46 4.974 5.154 -0.180 1
1 309 . 14 1 1 A 46 46 ILE CA C 46 58.570 58.360 0.210 1
1 310 . 14 1 1 A 46 46 ILE CB C 46 42.651 42.355 0.296 1
1 314 . 14 1 1 A 46 46 ILE N N 46 119.419 120.656 -1.237 1
1 315 . 14 1 1 A 47 47 ASN H H 47 8.855 8.647 0.208 1
1 316 . 14 1 1 A 47 47 ASN HA H 47 5.016 5.309 -0.293 1
1 321 . 14 1 1 A 47 47 ASN CA C 47 52.281 52.148 0.133 1
1 322 . 14 1 1 A 47 47 ASN CB C 47 39.208 41.652 -2.444 1
1 323 . 14 1 1 A 47 47 ASN N N 47 119.209 120.277 -1.068 1
1 325 . 14 1 1 A 48 48 TYR H H 48 9.147 8.939 0.208 1
1 326 . 14 1 1 A 48 48 TYR HA H 48 4.647 4.891 -0.244 1
1 333 . 14 1 1 A 48 48 TYR CA C 48 56.347 56.977 -0.630 1
1 334 . 14 1 1 A 48 48 TYR CB C 48 39.210 39.089 0.121 1
1 339 . 14 1 1 A 48 48 TYR N N 48 126.582 128.331 -1.749 1
1 340 . 14 1 1 A 49 49 ASN H H 49 8.807 8.856 -0.049 1
1 341 . 14 1 1 A 49 49 ASN HA H 49 4.110 4.258 -0.148 1
1 346 . 14 1 1 A 49 49 ASN CA C 49 53.309 53.956 -0.647 1
1 347 . 14 1 1 A 49 49 ASN CB C 49 37.118 37.566 -0.448 1
1 348 . 14 1 1 A 49 49 ASN N N 49 125.133 125.540 -0.407 1
1 350 . 14 1 1 A 50 50 GLY H H 50 8.202 8.541 -0.339 1
1 351 . 14 1 1 A 50 50 GLY HA2 H 50 4.149 3.817 0.332 1
1 352 . 14 1 1 A 50 50 GLY HA3 H 50 3.626 3.818 -0.192 1
1 353 . 14 1 1 A 50 50 GLY CA C 50 45.402 45.367 0.035 1
1 354 . 14 1 1 A 50 50 GLY N N 50 104.198 105.233 -1.035 1
1 355 . 14 1 1 A 51 51 GLN H H 51 7.799 7.407 0.392 1
1 356 . 14 1 1 A 51 51 GLN HA H 51 4.651 4.909 -0.258 1
1 363 . 14 1 1 A 51 51 GLN CA C 51 53.530 53.903 -0.373 1
1 364 . 14 1 1 A 51 51 GLN CB C 51 31.653 31.269 0.384 1
1 366 . 14 1 1 A 51 51 GLN N N 51 119.235 116.595 2.640 1
1 368 . 14 1 1 A 52 52 THR H H 52 8.491 8.586 -0.095 1
1 369 . 14 1 1 A 52 52 THR HA H 52 4.546 4.599 -0.053 1
1 374 . 14 1 1 A 52 52 THR CA C 52 62.631 62.320 0.311 1
1 375 . 14 1 1 A 52 52 THR CB C 52 69.224 69.547 -0.323 1
1 377 . 14 1 1 A 52 52 THR N N 52 118.279 117.361 0.918 1
1 378 . 14 1 1 A 53 53 GLY H H 53 8.406 7.662 0.744 1
1 379 . 14 1 1 A 53 53 GLY HA2 H 53 4.588 4.206 0.382 1
1 380 . 14 1 1 A 53 53 GLY HA3 H 53 3.115 4.217 -1.102 1
1 381 . 14 1 1 A 53 53 GLY CA C 53 43.338 45.347 -2.009 1
1 382 . 14 1 1 A 53 53 GLY N N 53 111.718 111.799 -0.081 1
1 383 . 14 1 1 A 54 54 TYR H H 54 8.734 8.558 0.176 1
1 384 . 14 1 1 A 54 54 TYR HA H 54 5.667 5.593 0.074 1
1 391 . 14 1 1 A 54 54 TYR CA C 54 56.403 56.341 0.062 1
1 392 . 14 1 1 A 54 54 TYR CB C 54 41.962 43.189 -1.227 1
1 397 . 14 1 1 A 54 54 TYR N N 54 116.106 119.555 -3.449 1
1 398 . 14 1 1 A 55 55 ILE H H 55 9.160 8.434 0.726 1
1 399 . 14 1 1 A 55 55 ILE HA H 55 5.318 4.587 0.731 1
1 409 . 14 1 1 A 55 55 ILE CA C 55 58.471 59.214 -0.743 1
1 410 . 14 1 1 A 55 55 ILE CB C 55 42.618 41.474 1.144 1
1 414 . 14 1 1 A 55 55 ILE N N 55 115.023 116.967 -1.944 1
1 415 . 14 1 1 A 56 56 GLY H H 56 9.066 8.494 0.572 1
1 416 . 14 1 1 A 56 56 GLY HA2 H 56 3.612 4.191 -0.579 1
1 417 . 14 1 1 A 56 56 GLY HA3 H 56 3.164 4.309 -1.145 1
1 418 . 14 1 1 A 56 56 GLY CA C 56 46.091 46.029 0.062 1
1 419 . 14 1 1 A 56 56 GLY N N 56 111.661 109.899 1.762 1
1 420 . 14 1 1 A 57 57 THR H H 57 8.142 8.848 -0.706 1
1 421 . 14 1 1 A 57 57 THR HA H 57 3.436 4.057 -0.621 1
1 426 . 14 1 1 A 57 57 THR CA C 57 65.333 66.171 -0.838 1
1 427 . 14 1 1 A 57 57 THR CB C 57 68.778 68.681 0.097 1
1 429 . 14 1 1 A 57 57 THR N N 57 124.844 120.009 4.835 1
1 430 . 14 1 1 A 58 58 ARG H H 58 8.261 8.127 0.134 1
1 431 . 14 1 1 A 58 58 ARG HA H 58 3.990 4.198 -0.208 1
1 438 . 14 1 1 A 58 58 ARG CA C 58 57.045 59.290 -2.245 1
1 439 . 14 1 1 A 58 58 ARG CB C 58 28.213 30.597 -2.384 1
1 442 . 14 1 1 A 58 58 ARG N N 58 116.486 118.984 -2.498 1
1 443 . 14 1 1 A 59 59 TYR H H 59 7.298 7.982 -0.684 1
1 444 . 14 1 1 A 59 59 TYR HA H 59 4.775 5.369 -0.594 1
1 451 . 14 1 1 A 59 59 TYR CA C 59 53.961 56.749 -2.788 1
1 452 . 14 1 1 A 59 59 TYR CB C 59 38.522 41.162 -2.640 1
1 457 . 14 1 1 A 59 59 TYR N N 59 118.931 116.132 2.799 1
1 458 . 14 1 1 A 60 60 LEU H H 60 7.430 8.656 -1.226 1
1 459 . 14 1 1 A 60 60 LEU HA H 60 5.028 4.996 0.032 1
1 469 . 14 1 1 A 60 60 LEU CA C 60 52.950 53.839 -0.889 1
1 470 . 14 1 1 A 60 60 LEU CB C 60 44.020 46.410 -2.390 1
1 474 . 14 1 1 A 60 60 LEU N N 60 118.281 125.520 -7.239 1
1 475 . 14 1 1 A 61 61 SER H H 61 8.959 8.942 0.017 1
1 476 . 14 1 1 A 61 61 SER HA H 61 4.894 5.151 -0.257 1
1 479 . 14 1 1 A 61 61 SER CA C 61 56.428 56.580 -0.152 1
1 480 . 14 1 1 A 61 61 SER CB C 61 65.345 64.491 0.854 1
1 481 . 14 1 1 A 61 61 SER N N 61 115.830 119.675 -3.845 1
1 482 . 14 1 1 A 62 62 LYS H H 62 8.872 8.735 0.137 1
1 483 . 14 1 1 A 62 62 LYS HA H 62 3.960 4.237 -0.277 1
1 492 . 14 1 1 A 62 62 LYS CA C 62 57.079 56.911 0.168 1
1 493 . 14 1 1 A 62 62 LYS CB C 62 33.016 32.741 0.275 1
1 497 . 14 1 1 A 62 62 LYS N N 62 125.311 124.757 0.554 1
1 498 . 14 1 1 A 63 63 LEU H H 63 7.997 8.722 -0.725 1
1 499 . 14 1 1 A 63 63 LEU HA H 63 4.328 4.361 -0.033 1
1 509 . 14 1 1 A 63 63 LEU CA C 63 54.323 56.070 -1.747 1
1 510 . 14 1 1 A 63 63 LEU CB C 63 42.672 42.715 -0.043 1
1 514 . 14 1 1 A 63 63 LEU N N 63 121.820 124.463 -2.643 1
1 515 . 14 1 1 A 64 64 GLU H H 64 8.274 8.040 0.234 1
1 1 . 15 1 1 A 3 3 GLY H H 3 8.337 8.724 -0.387 1
1 2 . 15 1 1 A 3 3 GLY HA2 H 3 4.308 4.159 0.149 1
1 3 . 15 1 1 A 3 3 GLY HA3 H 3 3.880 4.325 -0.445 1
1 4 . 15 1 1 A 3 3 GLY CA C 3 44.714 45.514 -0.800 1
1 5 . 15 1 1 A 4 4 ASP H H 4 8.223 7.664 0.559 1
1 6 . 15 1 1 A 4 4 ASP HA H 4 5.315 4.598 0.717 1
1 9 . 15 1 1 A 4 4 ASP CA C 4 58.458 53.647 4.811 1
1 10 . 15 1 1 A 4 4 ASP CB C 4 41.275 39.909 1.366 1
1 11 . 15 1 1 A 4 4 ASP N N 4 119.687 120.429 -0.742 1
1 12 . 15 1 1 A 8 8 ASN H H 8 9.232 9.002 0.230 1
1 13 . 15 1 1 A 8 8 ASN HA H 8 5.076 4.903 0.173 1
1 16 . 15 1 1 A 8 8 ASN CA C 8 52.276 53.563 -1.287 1
1 17 . 15 1 1 A 8 8 ASN CB C 8 38.566 36.355 2.211 1
1 18 . 15 1 1 A 8 8 ASN N N 8 129.984 121.468 8.516 1
1 19 . 15 1 1 A 13 13 ASN H H 13 8.616 7.570 1.046 1
1 20 . 15 1 1 A 13 13 ASN HA H 13 5.024 5.053 -0.029 1
1 25 . 15 1 1 A 13 13 ASN CA C 13 52.945 54.759 -1.814 1
1 26 . 15 1 1 A 13 13 ASN CB C 13 39.596 40.108 -0.512 1
1 27 . 15 1 1 A 13 13 ASN N N 13 122.544 116.361 6.183 1
1 29 . 15 1 1 A 14 14 VAL H H 14 8.619 7.488 1.131 1
1 30 . 15 1 1 A 14 14 VAL HA H 14 4.133 4.322 -0.189 1
1 38 . 15 1 1 A 14 14 VAL CA C 14 61.096 61.731 -0.635 1
1 39 . 15 1 1 A 14 14 VAL CB C 14 32.009 30.038 1.971 1
1 42 . 15 1 1 A 14 14 VAL N N 14 122.742 118.445 4.297 1
1 43 . 15 1 1 A 15 15 ARG H H 15 9.322 7.724 1.598 1
1 44 . 15 1 1 A 15 15 ARG HA H 15 5.514 4.954 0.560 1
1 51 . 15 1 1 A 15 15 ARG CA C 15 53.646 55.722 -2.076 1
1 52 . 15 1 1 A 15 15 ARG CB C 15 34.426 30.313 4.113 1
1 55 . 15 1 1 A 15 15 ARG N N 15 125.781 123.811 1.970 1
1 56 . 15 1 1 A 16 16 SER H H 16 8.730 7.970 0.760 1
1 57 . 15 1 1 A 16 16 SER HA H 16 4.470 4.000 0.470 1
1 60 . 15 1 1 A 16 16 SER CA C 16 59.017 59.265 -0.248 1
1 61 . 15 1 1 A 16 16 SER CB C 16 19.276 62.395 -43.119 1
1 62 . 15 1 1 A 16 16 SER N N 16 112.631 113.918 -1.287 1
1 63 . 15 1 1 A 18 18 GLU H H 18 6.979 8.316 -1.337 1
1 64 . 15 1 1 A 18 18 GLU HA H 18 4.421 4.337 0.084 1
1 69 . 15 1 1 A 18 18 GLU N N 18 113.293 119.300 -6.007 1
1 70 . 15 1 1 A 19 19 GLY H H 19 6.314 8.150 -1.836 1
1 71 . 15 1 1 A 19 19 GLY HA2 H 19 4.306 4.090 0.216 1
1 72 . 15 1 1 A 19 19 GLY HA3 H 19 3.916 4.101 -0.185 1
1 73 . 15 1 1 A 19 19 GLY CA C 19 45.334 45.432 -0.098 1
1 74 . 15 1 1 A 19 19 GLY N N 19 110.212 107.550 2.662 1
1 75 . 15 1 1 A 20 20 THR H H 20 8.804 7.773 1.031 1
1 76 . 15 1 1 A 20 20 THR HA H 20 4.078 4.255 -0.177 1
1 81 . 15 1 1 A 20 20 THR CA C 20 63.267 65.762 -2.495 1
1 82 . 15 1 1 A 20 20 THR CB C 20 68.097 69.244 -1.147 1
1 84 . 15 1 1 A 20 20 THR N N 20 110.310 113.791 -3.481 1
1 85 . 15 1 1 A 21 21 ASN H H 21 8.752 7.922 0.830 1
1 86 . 15 1 1 A 21 21 ASN HA H 21 4.580 4.989 -0.409 1
1 91 . 15 1 1 A 21 21 ASN CA C 21 52.935 52.496 0.439 1
1 92 . 15 1 1 A 21 21 ASN CB C 21 36.494 41.657 -5.163 1
1 93 . 15 1 1 A 21 21 ASN N N 21 115.437 116.432 -0.995 1
1 95 . 15 1 1 A 22 22 TYR H H 22 6.870 8.210 -1.340 1
1 96 . 15 1 1 A 22 22 TYR HA H 22 4.277 4.973 -0.696 1
1 103 . 15 1 1 A 22 22 TYR CA C 22 58.483 56.977 1.506 1
1 104 . 15 1 1 A 22 22 TYR CB C 22 39.094 39.885 -0.791 1
1 109 . 15 1 1 A 22 22 TYR N N 22 118.413 122.970 -4.557 1
1 110 . 15 1 1 A 23 23 ARG H H 23 8.107 8.114 -0.007 1
1 111 . 15 1 1 A 23 23 ARG HA H 23 4.135 4.056 0.079 1
1 118 . 15 1 1 A 23 23 ARG CA C 23 56.315 58.913 -2.598 1
1 119 . 15 1 1 A 23 23 ARG CB C 23 30.936 30.553 0.383 1
1 122 . 15 1 1 A 23 23 ARG N N 23 120.620 121.256 -0.636 1
1 123 . 15 1 1 A 24 24 ILE H H 24 8.535 7.427 1.108 1
1 124 . 15 1 1 A 24 24 ILE HA H 24 4.296 3.919 0.377 1
1 134 . 15 1 1 A 24 24 ILE CA C 24 61.695 64.210 -2.515 1
1 135 . 15 1 1 A 24 24 ILE CB C 24 37.876 38.722 -0.846 1
1 139 . 15 1 1 A 24 24 ILE N N 24 121.314 117.432 3.882 1
1 140 . 15 1 1 A 25 25 ILE H H 25 8.995 7.494 1.501 1
1 141 . 15 1 1 A 25 25 ILE HA H 25 4.542 4.592 -0.050 1
1 151 . 15 1 1 A 25 25 ILE CA C 25 60.963 59.116 1.847 1
1 152 . 15 1 1 A 25 25 ILE CB C 25 38.523 40.998 -2.475 1
1 156 . 15 1 1 A 25 25 ILE N N 25 121.558 118.417 3.141 1
1 157 . 15 1 1 A 26 26 GLY H H 26 7.396 8.083 -0.687 1
1 158 . 15 1 1 A 26 26 GLY HA2 H 26 4.140 4.094 0.046 1
1 159 . 15 1 1 A 26 26 GLY HA3 H 26 4.002 4.097 -0.095 1
1 160 . 15 1 1 A 26 26 GLY CA C 26 44.715 46.199 -1.484 1
1 161 . 15 1 1 A 26 26 GLY N N 26 108.443 113.958 -5.515 1
1 162 . 15 1 1 A 27 27 ALA H H 27 7.996 7.894 0.102 1
1 163 . 15 1 1 A 27 27 ALA HA H 27 5.211 4.543 0.668 1
1 167 . 15 1 1 A 27 27 ALA CA C 27 50.903 51.828 -0.925 1
1 168 . 15 1 1 A 27 27 ALA CB C 27 21.348 19.705 1.643 1
1 169 . 15 1 1 A 27 27 ALA N N 27 120.625 120.509 0.116 1
1 170 . 15 1 1 A 29 29 PRO HA H 29 4.952 4.872 0.080 1
1 177 . 15 1 1 A 29 29 PRO CA C 29 50.614 62.386 -11.772 1
1 178 . 15 1 1 A 29 29 PRO CB C 29 26.144 32.909 -6.765 1
1 181 . 15 1 1 A 32 32 GLN H H 32 9.259 8.669 0.590 1
1 182 . 15 1 1 A 32 32 GLN HA H 32 5.443 4.245 1.198 1
1 183 . 15 1 1 A 32 32 GLN CA C 32 55.719 57.057 -1.338 1
1 184 . 15 1 1 A 32 32 GLN N N 32 116.392 125.807 -9.415 1
1 185 . 15 1 1 A 34 34 VAL H H 34 8.618 8.691 -0.073 1
1 186 . 15 1 1 A 34 34 VAL HA H 34 4.132 4.316 -0.184 1
1 194 . 15 1 1 A 34 34 VAL CA C 34 61.096 61.505 -0.409 1
1 195 . 15 1 1 A 34 34 VAL CB C 34 32.009 32.687 -0.678 1
1 198 . 15 1 1 A 34 34 VAL N N 34 122.742 122.269 0.473 1
1 200 . 15 1 1 A 37 37 ILE H H 37 9.258 8.920 0.338 1
1 201 . 15 1 1 A 37 37 ILE HA H 37 3.892 4.214 -0.322 1
1 211 . 15 1 1 A 37 37 ILE CA C 37 63.577 62.352 1.225 1
1 212 . 15 1 1 A 37 37 ILE CB C 37 39.554 38.844 0.710 1
1 216 . 15 1 1 A 37 37 ILE N N 37 129.778 130.539 -0.761 1
1 217 . 15 1 1 A 38 38 SER H H 38 7.438 7.772 -0.334 1
1 218 . 15 1 1 A 38 38 SER HA H 38 4.463 4.742 -0.279 1
1 221 . 15 1 1 A 38 38 SER CA C 38 57.098 57.459 -0.361 1
1 222 . 15 1 1 A 38 38 SER CB C 38 63.350 65.516 -2.166 1
1 223 . 15 1 1 A 38 38 SER N N 38 109.846 112.120 -2.274 1
1 224 . 15 1 1 A 39 39 GLU H H 39 8.698 8.773 -0.075 1
1 225 . 15 1 1 A 39 39 GLU HA H 39 5.181 5.315 -0.134 1
1 230 . 15 1 1 A 39 39 GLU CA C 39 55.046 55.290 -0.244 1
1 231 . 15 1 1 A 39 39 GLU CB C 39 32.339 32.522 -0.183 1
1 233 . 15 1 1 A 39 39 GLU N N 39 120.149 124.803 -4.654 1
1 234 . 15 1 1 A 40 40 ASN H H 40 8.802 9.443 -0.641 1
1 235 . 15 1 1 A 40 40 ASN HA H 40 4.774 4.921 -0.147 1
1 240 . 15 1 1 A 40 40 ASN CA C 40 54.054 53.174 0.880 1
1 241 . 15 1 1 A 40 40 ASN CB C 40 41.280 41.075 0.205 1
1 242 . 15 1 1 A 40 40 ASN N N 40 119.687 120.662 -0.975 1
1 244 . 15 1 1 A 41 41 SER H H 41 9.138 9.294 -0.156 1
1 245 . 15 1 1 A 41 41 SER HA H 41 4.054 4.005 0.049 1
1 248 . 15 1 1 A 41 41 SER CA C 41 58.464 59.145 -0.681 1
1 249 . 15 1 1 A 41 41 SER CB C 41 61.911 62.070 -0.159 1
1 250 . 15 1 1 A 41 41 SER N N 41 118.754 121.857 -3.103 1
1 251 . 15 1 1 A 42 42 GLY H H 42 8.411 8.277 0.134 1
1 252 . 15 1 1 A 42 42 GLY HA2 H 42 4.080 3.848 0.232 1
1 253 . 15 1 1 A 42 42 GLY HA3 H 42 3.419 3.968 -0.549 1
1 254 . 15 1 1 A 42 42 GLY CA C 42 45.042 45.132 -0.090 1
1 255 . 15 1 1 A 42 42 GLY N N 42 105.488 105.647 -0.159 1
1 256 . 15 1 1 A 43 43 TRP H H 43 8.216 7.583 0.633 1
1 257 . 15 1 1 A 43 43 TRP HA H 43 5.046 4.895 0.151 1
1 266 . 15 1 1 A 43 43 TRP CA C 43 56.182 57.255 -1.073 1
1 267 . 15 1 1 A 43 43 TRP CB C 43 32.162 30.545 1.617 1
1 273 . 15 1 1 A 43 43 TRP N N 43 122.262 121.262 1.000 1
1 275 . 15 1 1 A 44 44 SER H H 44 10.151 8.910 1.241 1
1 276 . 15 1 1 A 44 44 SER HA H 44 5.028 5.453 -0.425 1
1 279 . 15 1 1 A 44 44 SER CA C 44 58.463 56.368 2.095 1
1 280 . 15 1 1 A 44 44 SER CB C 44 64.198 64.963 -0.765 1
1 281 . 15 1 1 A 44 44 SER N N 44 122.494 116.149 6.345 1
1 282 . 15 1 1 A 45 45 LYS H H 45 8.905 9.466 -0.561 1
1 283 . 15 1 1 A 45 45 LYS HA H 45 4.474 4.823 -0.349 1
1 292 . 15 1 1 A 45 45 LYS CA C 45 55.039 56.436 -1.397 1
1 293 . 15 1 1 A 45 45 LYS CB C 45 33.755 33.462 0.293 1
1 297 . 15 1 1 A 45 45 LYS N N 45 128.116 126.770 1.346 1
1 298 . 15 1 1 A 46 46 ILE H H 46 8.912 9.006 -0.094 1
1 299 . 15 1 1 A 46 46 ILE HA H 46 4.974 5.089 -0.115 1
1 309 . 15 1 1 A 46 46 ILE CA C 46 58.570 58.282 0.288 1
1 310 . 15 1 1 A 46 46 ILE CB C 46 42.651 42.479 0.172 1
1 314 . 15 1 1 A 46 46 ILE N N 46 119.419 120.489 -1.070 1
1 315 . 15 1 1 A 47 47 ASN H H 47 8.855 8.562 0.293 1
1 316 . 15 1 1 A 47 47 ASN HA H 47 5.016 5.321 -0.305 1
1 321 . 15 1 1 A 47 47 ASN CA C 47 52.281 52.026 0.255 1
1 322 . 15 1 1 A 47 47 ASN CB C 47 39.208 41.632 -2.424 1
1 323 . 15 1 1 A 47 47 ASN N N 47 119.209 119.588 -0.379 1
1 325 . 15 1 1 A 48 48 TYR H H 48 9.147 8.536 0.611 1
1 326 . 15 1 1 A 48 48 TYR HA H 48 4.647 4.926 -0.279 1
1 333 . 15 1 1 A 48 48 TYR CA C 48 56.347 56.619 -0.272 1
1 334 . 15 1 1 A 48 48 TYR CB C 48 39.210 40.717 -1.507 1
1 339 . 15 1 1 A 48 48 TYR N N 48 126.582 124.816 1.766 1
1 340 . 15 1 1 A 49 49 ASN H H 49 8.807 9.312 -0.505 1
1 341 . 15 1 1 A 49 49 ASN HA H 49 4.110 4.404 -0.294 1
1 346 . 15 1 1 A 49 49 ASN CA C 49 53.309 54.068 -0.759 1
1 347 . 15 1 1 A 49 49 ASN CB C 49 37.118 37.493 -0.375 1
1 348 . 15 1 1 A 49 49 ASN N N 49 125.133 123.626 1.507 1
1 350 . 15 1 1 A 50 50 GLY H H 50 8.202 7.915 0.287 1
1 351 . 15 1 1 A 50 50 GLY HA2 H 50 4.149 3.816 0.333 1
1 352 . 15 1 1 A 50 50 GLY HA3 H 50 3.626 3.826 -0.200 1
1 353 . 15 1 1 A 50 50 GLY CA C 50 45.402 45.300 0.102 1
1 354 . 15 1 1 A 50 50 GLY N N 50 104.198 104.001 0.197 1
1 355 . 15 1 1 A 51 51 GLN H H 51 7.799 7.476 0.323 1
1 356 . 15 1 1 A 51 51 GLN HA H 51 4.651 4.417 0.234 1
1 363 . 15 1 1 A 51 51 GLN CA C 51 53.530 55.130 -1.600 1
1 364 . 15 1 1 A 51 51 GLN CB C 51 31.653 30.035 1.618 1
1 366 . 15 1 1 A 51 51 GLN N N 51 119.235 119.424 -0.189 1
1 368 . 15 1 1 A 52 52 THR H H 52 8.491 8.569 -0.078 1
1 369 . 15 1 1 A 52 52 THR HA H 52 4.546 4.206 0.340 1
1 374 . 15 1 1 A 52 52 THR CA C 52 62.631 62.914 -0.283 1
1 375 . 15 1 1 A 52 52 THR CB C 52 69.224 68.570 0.654 1
1 377 . 15 1 1 A 52 52 THR N N 52 118.279 118.516 -0.237 1
1 378 . 15 1 1 A 53 53 GLY H H 53 8.406 8.604 -0.198 1
1 379 . 15 1 1 A 53 53 GLY HA2 H 53 4.588 4.107 0.481 1
1 380 . 15 1 1 A 53 53 GLY HA3 H 53 3.115 4.203 -1.088 1
1 381 . 15 1 1 A 53 53 GLY CA C 53 43.338 43.834 -0.496 1
1 382 . 15 1 1 A 53 53 GLY N N 53 111.718 114.024 -2.306 1
1 383 . 15 1 1 A 54 54 TYR H H 54 8.734 8.595 0.139 1
1 384 . 15 1 1 A 54 54 TYR HA H 54 5.667 5.676 -0.009 1
1 391 . 15 1 1 A 54 54 TYR CA C 54 56.403 56.408 -0.005 1
1 392 . 15 1 1 A 54 54 TYR CB C 54 41.962 43.439 -1.477 1
1 397 . 15 1 1 A 54 54 TYR N N 54 116.106 118.811 -2.705 1
1 398 . 15 1 1 A 55 55 ILE H H 55 9.160 9.096 0.064 1
1 399 . 15 1 1 A 55 55 ILE HA H 55 5.318 4.911 0.407 1
1 409 . 15 1 1 A 55 55 ILE CA C 55 58.471 59.357 -0.886 1
1 410 . 15 1 1 A 55 55 ILE CB C 55 42.618 41.241 1.377 1
1 414 . 15 1 1 A 55 55 ILE N N 55 115.023 116.645 -1.622 1
1 415 . 15 1 1 A 56 56 GLY H H 56 9.066 8.852 0.214 1
1 416 . 15 1 1 A 56 56 GLY HA2 H 56 3.612 4.104 -0.492 1
1 417 . 15 1 1 A 56 56 GLY HA3 H 56 3.164 4.320 -1.156 1
1 418 . 15 1 1 A 56 56 GLY CA C 56 46.091 45.766 0.325 1
1 419 . 15 1 1 A 56 56 GLY N N 56 111.661 110.108 1.553 1
1 420 . 15 1 1 A 57 57 THR H H 57 8.142 8.472 -0.330 1
1 421 . 15 1 1 A 57 57 THR HA H 57 3.436 3.961 -0.525 1
1 426 . 15 1 1 A 57 57 THR CA C 57 65.333 66.428 -1.095 1
1 427 . 15 1 1 A 57 57 THR CB C 57 68.778 68.616 0.162 1
1 429 . 15 1 1 A 57 57 THR N N 57 124.844 120.350 4.494 1
1 430 . 15 1 1 A 58 58 ARG H H 58 8.261 7.878 0.383 1
1 431 . 15 1 1 A 58 58 ARG HA H 58 3.990 4.010 -0.020 1
1 438 . 15 1 1 A 58 58 ARG CA C 58 57.045 59.261 -2.216 1
1 439 . 15 1 1 A 58 58 ARG CB C 58 28.213 30.136 -1.923 1
1 442 . 15 1 1 A 58 58 ARG N N 58 116.486 118.404 -1.918 1
1 443 . 15 1 1 A 59 59 TYR H H 59 7.298 8.143 -0.845 1
1 444 . 15 1 1 A 59 59 TYR HA H 59 4.775 5.410 -0.635 1
1 451 . 15 1 1 A 59 59 TYR CA C 59 53.961 56.704 -2.743 1
1 452 . 15 1 1 A 59 59 TYR CB C 59 38.522 42.092 -3.570 1
1 457 . 15 1 1 A 59 59 TYR N N 59 118.931 115.470 3.461 1
1 458 . 15 1 1 A 60 60 LEU H H 60 7.430 8.983 -1.553 1
1 459 . 15 1 1 A 60 60 LEU HA H 60 5.028 4.976 0.052 1
1 469 . 15 1 1 A 60 60 LEU CA C 60 52.950 53.681 -0.731 1
1 470 . 15 1 1 A 60 60 LEU CB C 60 44.020 46.151 -2.131 1
1 474 . 15 1 1 A 60 60 LEU N N 60 118.281 122.966 -4.685 1
1 475 . 15 1 1 A 61 61 SER H H 61 8.959 9.048 -0.089 1
1 476 . 15 1 1 A 61 61 SER HA H 61 4.894 5.444 -0.550 1
1 479 . 15 1 1 A 61 61 SER CA C 61 56.428 56.264 0.164 1
1 480 . 15 1 1 A 61 61 SER CB C 61 65.345 65.687 -0.342 1
1 481 . 15 1 1 A 61 61 SER N N 61 115.830 117.941 -2.111 1
1 482 . 15 1 1 A 62 62 LYS H H 62 8.872 8.881 -0.009 1
1 483 . 15 1 1 A 62 62 LYS HA H 62 3.960 4.717 -0.757 1
1 492 . 15 1 1 A 62 62 LYS CA C 62 57.079 54.870 2.209 1
1 493 . 15 1 1 A 62 62 LYS CB C 62 33.016 35.602 -2.586 1
1 497 . 15 1 1 A 62 62 LYS N N 62 125.311 124.014 1.297 1
1 498 . 15 1 1 A 63 63 LEU H H 63 7.997 8.783 -0.786 1
1 499 . 15 1 1 A 63 63 LEU HA H 63 4.328 4.117 0.211 1
1 509 . 15 1 1 A 63 63 LEU CA C 63 54.323 57.513 -3.190 1
1 510 . 15 1 1 A 63 63 LEU CB C 63 42.672 42.401 0.271 1
1 514 . 15 1 1 A 63 63 LEU N N 63 121.820 128.465 -6.645 1
1 515 . 15 1 1 A 64 64 GLU H H 64 8.274 8.071 0.203 1
1 1 . 16 1 1 A 3 3 GLY H H 3 8.337 8.559 -0.222 1
1 2 . 16 1 1 A 3 3 GLY HA2 H 3 4.308 3.702 0.606 1
1 3 . 16 1 1 A 3 3 GLY HA3 H 3 3.880 3.718 0.162 1
1 4 . 16 1 1 A 3 3 GLY CA C 3 44.714 45.892 -1.178 1
1 5 . 16 1 1 A 4 4 ASP H H 4 8.223 8.310 -0.087 1
1 6 . 16 1 1 A 4 4 ASP HA H 4 5.315 4.314 1.001 1
1 9 . 16 1 1 A 4 4 ASP CA C 4 58.458 55.041 3.417 1
1 10 . 16 1 1 A 4 4 ASP CB C 4 41.275 39.581 1.694 1
1 11 . 16 1 1 A 4 4 ASP N N 4 119.687 119.621 0.066 1
1 12 . 16 1 1 A 8 8 ASN H H 8 9.232 7.755 1.477 1
1 13 . 16 1 1 A 8 8 ASN HA H 8 5.076 4.891 0.185 1
1 16 . 16 1 1 A 8 8 ASN CA C 8 52.276 54.850 -2.574 1
1 17 . 16 1 1 A 8 8 ASN CB C 8 38.566 38.612 -0.046 1
1 18 . 16 1 1 A 8 8 ASN N N 8 129.984 119.717 10.267 1
1 19 . 16 1 1 A 13 13 ASN H H 13 8.616 9.338 -0.722 1
1 20 . 16 1 1 A 13 13 ASN HA H 13 5.024 4.898 0.126 1
1 25 . 16 1 1 A 13 13 ASN CA C 13 52.945 53.260 -0.315 1
1 26 . 16 1 1 A 13 13 ASN CB C 13 39.596 38.399 1.197 1
1 27 . 16 1 1 A 13 13 ASN N N 13 122.544 123.726 -1.182 1
1 29 . 16 1 1 A 14 14 VAL H H 14 8.619 7.972 0.647 1
1 30 . 16 1 1 A 14 14 VAL HA H 14 4.133 3.917 0.216 1
1 38 . 16 1 1 A 14 14 VAL CA C 14 61.096 64.270 -3.174 1
1 39 . 16 1 1 A 14 14 VAL CB C 14 32.009 31.328 0.681 1
1 42 . 16 1 1 A 14 14 VAL N N 14 122.742 117.489 5.253 1
1 43 . 16 1 1 A 15 15 ARG H H 15 9.322 7.648 1.674 1
1 44 . 16 1 1 A 15 15 ARG HA H 15 5.514 4.377 1.137 1
1 51 . 16 1 1 A 15 15 ARG CA C 15 53.646 56.051 -2.405 1
1 52 . 16 1 1 A 15 15 ARG CB C 15 34.426 32.398 2.028 1
1 55 . 16 1 1 A 15 15 ARG N N 15 125.781 120.257 5.524 1
1 56 . 16 1 1 A 16 16 SER H H 16 8.730 8.094 0.636 1
1 57 . 16 1 1 A 16 16 SER HA H 16 4.470 4.123 0.347 1
1 60 . 16 1 1 A 16 16 SER CA C 16 59.017 59.537 -0.520 1
1 61 . 16 1 1 A 16 16 SER CB C 16 19.276 61.384 -42.108 1
1 62 . 16 1 1 A 16 16 SER N N 16 112.631 112.903 -0.272 1
1 63 . 16 1 1 A 18 18 GLU H H 18 6.979 8.263 -1.284 1
1 64 . 16 1 1 A 18 18 GLU HA H 18 4.421 4.974 -0.553 1
1 69 . 16 1 1 A 18 18 GLU N N 18 113.293 124.111 -10.818 1
1 70 . 16 1 1 A 19 19 GLY H H 19 6.314 8.401 -2.087 1
1 71 . 16 1 1 A 19 19 GLY HA2 H 19 4.306 4.075 0.231 1
1 72 . 16 1 1 A 19 19 GLY HA3 H 19 3.916 4.113 -0.197 1
1 73 . 16 1 1 A 19 19 GLY CA C 19 45.334 46.118 -0.784 1
1 74 . 16 1 1 A 19 19 GLY N N 19 110.212 110.481 -0.269 1
1 75 . 16 1 1 A 20 20 THR H H 20 8.804 8.222 0.582 1
1 76 . 16 1 1 A 20 20 THR HA H 20 4.078 4.152 -0.074 1
1 81 . 16 1 1 A 20 20 THR CA C 20 63.267 63.801 -0.534 1
1 82 . 16 1 1 A 20 20 THR CB C 20 68.097 69.301 -1.204 1
1 84 . 16 1 1 A 20 20 THR N N 20 110.310 119.683 -9.373 1
1 85 . 16 1 1 A 21 21 ASN H H 21 8.752 7.612 1.140 1
1 86 . 16 1 1 A 21 21 ASN HA H 21 4.580 4.610 -0.030 1
1 91 . 16 1 1 A 21 21 ASN CA C 21 52.935 51.921 1.014 1
1 92 . 16 1 1 A 21 21 ASN CB C 21 36.494 40.803 -4.309 1
1 93 . 16 1 1 A 21 21 ASN N N 21 115.437 118.851 -3.414 1
1 95 . 16 1 1 A 22 22 TYR H H 22 6.870 8.370 -1.500 1
1 96 . 16 1 1 A 22 22 TYR HA H 22 4.277 4.504 -0.227 1
1 103 . 16 1 1 A 22 22 TYR CA C 22 58.483 59.123 -0.640 1
1 104 . 16 1 1 A 22 22 TYR CB C 22 39.094 39.630 -0.536 1
1 109 . 16 1 1 A 22 22 TYR N N 22 118.413 123.349 -4.936 1
1 110 . 16 1 1 A 23 23 ARG H H 23 8.107 7.528 0.579 1
1 111 . 16 1 1 A 23 23 ARG HA H 23 4.135 4.319 -0.184 1
1 118 . 16 1 1 A 23 23 ARG CA C 23 56.315 56.048 0.267 1
1 119 . 16 1 1 A 23 23 ARG CB C 23 30.936 30.183 0.753 1
1 122 . 16 1 1 A 23 23 ARG N N 23 120.620 119.821 0.799 1
1 123 . 16 1 1 A 24 24 ILE H H 24 8.535 7.624 0.911 1
1 124 . 16 1 1 A 24 24 ILE HA H 24 4.296 4.419 -0.123 1
1 134 . 16 1 1 A 24 24 ILE CA C 24 61.695 62.958 -1.263 1
1 135 . 16 1 1 A 24 24 ILE CB C 24 37.876 37.768 0.108 1
1 139 . 16 1 1 A 24 24 ILE N N 24 121.314 119.864 1.450 1
1 140 . 16 1 1 A 25 25 ILE H H 25 8.995 7.202 1.793 1
1 141 . 16 1 1 A 25 25 ILE HA H 25 4.542 4.054 0.488 1
1 151 . 16 1 1 A 25 25 ILE CA C 25 60.963 61.346 -0.383 1
1 152 . 16 1 1 A 25 25 ILE CB C 25 38.523 38.410 0.113 1
1 156 . 16 1 1 A 25 25 ILE N N 25 121.558 117.586 3.972 1
1 157 . 16 1 1 A 26 26 GLY H H 26 7.396 7.993 -0.597 1
1 158 . 16 1 1 A 26 26 GLY HA2 H 26 4.140 4.118 0.022 1
1 159 . 16 1 1 A 26 26 GLY HA3 H 26 4.002 4.150 -0.148 1
1 160 . 16 1 1 A 26 26 GLY CA C 26 44.715 45.040 -0.325 1
1 161 . 16 1 1 A 26 26 GLY N N 26 108.443 109.803 -1.360 1
1 162 . 16 1 1 A 27 27 ALA H H 27 7.996 8.490 -0.494 1
1 163 . 16 1 1 A 27 27 ALA HA H 27 5.211 5.018 0.193 1
1 167 . 16 1 1 A 27 27 ALA CA C 27 50.903 51.316 -0.413 1
1 168 . 16 1 1 A 27 27 ALA CB C 27 21.348 23.526 -2.178 1
1 169 . 16 1 1 A 27 27 ALA N N 27 120.625 123.381 -2.756 1
1 170 . 16 1 1 A 29 29 PRO HA H 29 4.952 4.573 0.379 1
1 177 . 16 1 1 A 29 29 PRO CA C 29 50.614 64.555 -13.941 1
1 178 . 16 1 1 A 29 29 PRO CB C 29 26.144 32.124 -5.980 1
1 181 . 16 1 1 A 32 32 GLN H H 32 9.259 8.479 0.780 1
1 182 . 16 1 1 A 32 32 GLN HA H 32 5.443 4.632 0.811 1
1 183 . 16 1 1 A 32 32 GLN CA C 32 55.719 54.870 0.849 1
1 184 . 16 1 1 A 32 32 GLN N N 32 116.392 118.029 -1.637 1
1 185 . 16 1 1 A 34 34 VAL H H 34 8.618 7.856 0.762 1
1 186 . 16 1 1 A 34 34 VAL HA H 34 4.132 5.071 -0.939 1
1 194 . 16 1 1 A 34 34 VAL CA C 34 61.096 63.653 -2.557 1
1 195 . 16 1 1 A 34 34 VAL CB C 34 32.009 33.239 -1.230 1
1 198 . 16 1 1 A 34 34 VAL N N 34 122.742 117.773 4.969 1
1 200 . 16 1 1 A 37 37 ILE H H 37 9.258 9.086 0.172 1
1 201 . 16 1 1 A 37 37 ILE HA H 37 3.892 4.073 -0.181 1
1 211 . 16 1 1 A 37 37 ILE CA C 37 63.577 62.981 0.596 1
1 212 . 16 1 1 A 37 37 ILE CB C 37 39.554 38.472 1.082 1
1 216 . 16 1 1 A 37 37 ILE N N 37 129.778 128.341 1.437 1
1 217 . 16 1 1 A 38 38 SER H H 38 7.438 7.739 -0.301 1
1 218 . 16 1 1 A 38 38 SER HA H 38 4.463 4.898 -0.435 1
1 221 . 16 1 1 A 38 38 SER CA C 38 57.098 57.729 -0.631 1
1 222 . 16 1 1 A 38 38 SER CB C 38 63.350 67.229 -3.879 1
1 223 . 16 1 1 A 38 38 SER N N 38 109.846 113.228 -3.382 1
1 224 . 16 1 1 A 39 39 GLU H H 39 8.698 8.804 -0.106 1
1 225 . 16 1 1 A 39 39 GLU HA H 39 5.181 5.308 -0.127 1
1 230 . 16 1 1 A 39 39 GLU CA C 39 55.046 54.526 0.520 1
1 231 . 16 1 1 A 39 39 GLU CB C 39 32.339 33.536 -1.197 1
1 233 . 16 1 1 A 39 39 GLU N N 39 120.149 119.526 0.623 1
1 234 . 16 1 1 A 40 40 ASN H H 40 8.802 8.770 0.032 1
1 235 . 16 1 1 A 40 40 ASN HA H 40 4.774 4.917 -0.143 1
1 240 . 16 1 1 A 40 40 ASN CA C 40 54.054 53.124 0.930 1
1 241 . 16 1 1 A 40 40 ASN CB C 40 41.280 41.639 -0.359 1
1 242 . 16 1 1 A 40 40 ASN N N 40 119.687 118.394 1.293 1
1 244 . 16 1 1 A 41 41 SER H H 41 9.138 9.173 -0.035 1
1 245 . 16 1 1 A 41 41 SER HA H 41 4.054 4.156 -0.102 1
1 248 . 16 1 1 A 41 41 SER CA C 41 58.464 59.420 -0.956 1
1 249 . 16 1 1 A 41 41 SER CB C 41 61.911 61.796 0.115 1
1 250 . 16 1 1 A 41 41 SER N N 41 118.754 119.467 -0.713 1
1 251 . 16 1 1 A 42 42 GLY H H 42 8.411 8.294 0.117 1
1 252 . 16 1 1 A 42 42 GLY HA2 H 42 4.080 3.711 0.369 1
1 253 . 16 1 1 A 42 42 GLY HA3 H 42 3.419 3.942 -0.523 1
1 254 . 16 1 1 A 42 42 GLY CA C 42 45.042 45.276 -0.234 1
1 255 . 16 1 1 A 42 42 GLY N N 42 105.488 105.681 -0.193 1
1 256 . 16 1 1 A 43 43 TRP H H 43 8.216 7.396 0.820 1
1 257 . 16 1 1 A 43 43 TRP HA H 43 5.046 5.302 -0.256 1
1 266 . 16 1 1 A 43 43 TRP CA C 43 56.182 55.926 0.256 1
1 267 . 16 1 1 A 43 43 TRP CB C 43 32.162 33.362 -1.200 1
1 273 . 16 1 1 A 43 43 TRP N N 43 122.262 121.633 0.629 1
1 275 . 16 1 1 A 44 44 SER H H 44 10.151 9.746 0.405 1
1 276 . 16 1 1 A 44 44 SER HA H 44 5.028 5.114 -0.086 1
1 279 . 16 1 1 A 44 44 SER CA C 44 58.463 56.666 1.797 1
1 280 . 16 1 1 A 44 44 SER CB C 44 64.198 64.731 -0.533 1
1 281 . 16 1 1 A 44 44 SER N N 44 122.494 116.523 5.971 1
1 282 . 16 1 1 A 45 45 LYS H H 45 8.905 8.681 0.224 1
1 283 . 16 1 1 A 45 45 LYS HA H 45 4.474 4.628 -0.154 1
1 292 . 16 1 1 A 45 45 LYS CA C 45 55.039 55.969 -0.930 1
1 293 . 16 1 1 A 45 45 LYS CB C 45 33.755 33.319 0.436 1
1 297 . 16 1 1 A 45 45 LYS N N 45 128.116 128.931 -0.815 1
1 298 . 16 1 1 A 46 46 ILE H H 46 8.912 9.158 -0.246 1
1 299 . 16 1 1 A 46 46 ILE HA H 46 4.974 5.183 -0.209 1
1 309 . 16 1 1 A 46 46 ILE CA C 46 58.570 58.261 0.309 1
1 310 . 16 1 1 A 46 46 ILE CB C 46 42.651 42.326 0.325 1
1 314 . 16 1 1 A 46 46 ILE N N 46 119.419 120.371 -0.952 1
1 315 . 16 1 1 A 47 47 ASN H H 47 8.855 8.265 0.590 1
1 316 . 16 1 1 A 47 47 ASN HA H 47 5.016 5.748 -0.732 1
1 321 . 16 1 1 A 47 47 ASN CA C 47 52.281 51.904 0.377 1
1 322 . 16 1 1 A 47 47 ASN CB C 47 39.208 41.254 -2.046 1
1 323 . 16 1 1 A 47 47 ASN N N 47 119.209 120.073 -0.864 1
1 325 . 16 1 1 A 48 48 TYR H H 48 9.147 9.306 -0.159 1
1 326 . 16 1 1 A 48 48 TYR HA H 48 4.647 4.891 -0.244 1
1 333 . 16 1 1 A 48 48 TYR CA C 48 56.347 57.458 -1.111 1
1 334 . 16 1 1 A 48 48 TYR CB C 48 39.210 41.359 -2.149 1
1 339 . 16 1 1 A 48 48 TYR N N 48 126.582 127.587 -1.005 1
1 340 . 16 1 1 A 49 49 ASN H H 49 8.807 9.122 -0.315 1
1 341 . 16 1 1 A 49 49 ASN HA H 49 4.110 4.304 -0.194 1
1 346 . 16 1 1 A 49 49 ASN CA C 49 53.309 53.958 -0.649 1
1 347 . 16 1 1 A 49 49 ASN CB C 49 37.118 37.517 -0.399 1
1 348 . 16 1 1 A 49 49 ASN N N 49 125.133 126.330 -1.197 1
1 350 . 16 1 1 A 50 50 GLY H H 50 8.202 8.273 -0.071 1
1 351 . 16 1 1 A 50 50 GLY HA2 H 50 4.149 3.827 0.322 1
1 352 . 16 1 1 A 50 50 GLY HA3 H 50 3.626 3.833 -0.207 1
1 353 . 16 1 1 A 50 50 GLY CA C 50 45.402 45.335 0.067 1
1 354 . 16 1 1 A 50 50 GLY N N 50 104.198 104.096 0.102 1
1 355 . 16 1 1 A 51 51 GLN H H 51 7.799 7.618 0.181 1
1 356 . 16 1 1 A 51 51 GLN HA H 51 4.651 4.570 0.081 1
1 363 . 16 1 1 A 51 51 GLN CA C 51 53.530 54.860 -1.330 1
1 364 . 16 1 1 A 51 51 GLN CB C 51 31.653 30.384 1.269 1
1 366 . 16 1 1 A 51 51 GLN N N 51 119.235 118.889 0.346 1
1 368 . 16 1 1 A 52 52 THR H H 52 8.491 8.442 0.049 1
1 369 . 16 1 1 A 52 52 THR HA H 52 4.546 4.795 -0.249 1
1 374 . 16 1 1 A 52 52 THR CA C 52 62.631 61.116 1.515 1
1 375 . 16 1 1 A 52 52 THR CB C 52 69.224 69.445 -0.221 1
1 377 . 16 1 1 A 52 52 THR N N 52 118.279 118.128 0.151 1
1 378 . 16 1 1 A 53 53 GLY H H 53 8.406 8.980 -0.574 1
1 379 . 16 1 1 A 53 53 GLY HA2 H 53 4.588 4.214 0.374 1
1 380 . 16 1 1 A 53 53 GLY HA3 H 53 3.115 4.230 -1.115 1
1 381 . 16 1 1 A 53 53 GLY CA C 53 43.338 44.052 -0.714 1
1 382 . 16 1 1 A 53 53 GLY N N 53 111.718 113.607 -1.889 1
1 383 . 16 1 1 A 54 54 TYR H H 54 8.734 8.503 0.231 1
1 384 . 16 1 1 A 54 54 TYR HA H 54 5.667 5.453 0.214 1
1 391 . 16 1 1 A 54 54 TYR CA C 54 56.403 56.393 0.010 1
1 392 . 16 1 1 A 54 54 TYR CB C 54 41.962 43.008 -1.046 1
1 397 . 16 1 1 A 54 54 TYR N N 54 116.106 118.771 -2.665 1
1 398 . 16 1 1 A 55 55 ILE H H 55 9.160 9.427 -0.267 1
1 399 . 16 1 1 A 55 55 ILE HA H 55 5.318 4.724 0.594 1
1 409 . 16 1 1 A 55 55 ILE CA C 55 58.471 59.468 -0.997 1
1 410 . 16 1 1 A 55 55 ILE CB C 55 42.618 41.451 1.167 1
1 414 . 16 1 1 A 55 55 ILE N N 55 115.023 117.613 -2.590 1
1 415 . 16 1 1 A 56 56 GLY H H 56 9.066 8.672 0.394 1
1 416 . 16 1 1 A 56 56 GLY HA2 H 56 3.612 4.086 -0.474 1
1 417 . 16 1 1 A 56 56 GLY HA3 H 56 3.164 4.208 -1.044 1
1 418 . 16 1 1 A 56 56 GLY CA C 56 46.091 45.872 0.219 1
1 419 . 16 1 1 A 56 56 GLY N N 56 111.661 109.681 1.980 1
1 420 . 16 1 1 A 57 57 THR H H 57 8.142 8.655 -0.513 1
1 421 . 16 1 1 A 57 57 THR HA H 57 3.436 4.130 -0.694 1
1 426 . 16 1 1 A 57 57 THR CA C 57 65.333 65.621 -0.288 1
1 427 . 16 1 1 A 57 57 THR CB C 57 68.778 68.690 0.088 1
1 429 . 16 1 1 A 57 57 THR N N 57 124.844 120.622 4.222 1
1 430 . 16 1 1 A 58 58 ARG H H 58 8.261 8.042 0.219 1
1 431 . 16 1 1 A 58 58 ARG HA H 58 3.990 4.202 -0.212 1
1 438 . 16 1 1 A 58 58 ARG CA C 58 57.045 58.699 -1.654 1
1 439 . 16 1 1 A 58 58 ARG CB C 58 28.213 31.418 -3.205 1
1 442 . 16 1 1 A 58 58 ARG N N 58 116.486 119.136 -2.650 1
1 443 . 16 1 1 A 59 59 TYR H H 59 7.298 7.807 -0.509 1
1 444 . 16 1 1 A 59 59 TYR HA H 59 4.775 5.417 -0.642 1
1 451 . 16 1 1 A 59 59 TYR CA C 59 53.961 56.681 -2.720 1
1 452 . 16 1 1 A 59 59 TYR CB C 59 38.522 41.351 -2.829 1
1 457 . 16 1 1 A 59 59 TYR N N 59 118.931 116.420 2.511 1
1 458 . 16 1 1 A 60 60 LEU H H 60 7.430 8.807 -1.377 1
1 459 . 16 1 1 A 60 60 LEU HA H 60 5.028 4.874 0.154 1
1 469 . 16 1 1 A 60 60 LEU CA C 60 52.950 53.636 -0.686 1
1 470 . 16 1 1 A 60 60 LEU CB C 60 44.020 46.662 -2.642 1
1 474 . 16 1 1 A 60 60 LEU N N 60 118.281 124.644 -6.363 1
1 475 . 16 1 1 A 61 61 SER H H 61 8.959 8.791 0.168 1
1 476 . 16 1 1 A 61 61 SER HA H 61 4.894 4.947 -0.053 1
1 479 . 16 1 1 A 61 61 SER CA C 61 56.428 56.813 -0.385 1
1 480 . 16 1 1 A 61 61 SER CB C 61 65.345 64.192 1.153 1
1 481 . 16 1 1 A 61 61 SER N N 61 115.830 118.002 -2.172 1
1 482 . 16 1 1 A 62 62 LYS H H 62 8.872 9.025 -0.153 1
1 483 . 16 1 1 A 62 62 LYS HA H 62 3.960 4.544 -0.584 1
1 492 . 16 1 1 A 62 62 LYS CA C 62 57.079 55.538 1.541 1
1 493 . 16 1 1 A 62 62 LYS CB C 62 33.016 33.325 -0.309 1
1 497 . 16 1 1 A 62 62 LYS N N 62 125.311 127.146 -1.835 1
1 498 . 16 1 1 A 63 63 LEU H H 63 7.997 8.738 -0.741 1
1 499 . 16 1 1 A 63 63 LEU HA H 63 4.328 4.337 -0.009 1
1 509 . 16 1 1 A 63 63 LEU CA C 63 54.323 55.594 -1.271 1
1 510 . 16 1 1 A 63 63 LEU CB C 63 42.672 42.129 0.543 1
1 514 . 16 1 1 A 63 63 LEU N N 63 121.820 120.537 1.283 1
1 515 . 16 1 1 A 64 64 GLU H H 64 8.274 7.910 0.364 1
1 1 . 17 1 1 A 3 3 GLY H H 3 8.337 8.795 -0.458 1
1 2 . 17 1 1 A 3 3 GLY HA2 H 3 4.308 3.761 0.547 1
1 3 . 17 1 1 A 3 3 GLY HA3 H 3 3.880 3.810 0.070 1
1 4 . 17 1 1 A 3 3 GLY CA C 3 44.714 47.011 -2.297 1
1 5 . 17 1 1 A 4 4 ASP H H 4 8.223 8.169 0.054 1
1 6 . 17 1 1 A 4 4 ASP HA H 4 5.315 4.511 0.804 1
1 9 . 17 1 1 A 4 4 ASP CA C 4 58.458 56.038 2.420 1
1 10 . 17 1 1 A 4 4 ASP CB C 4 41.275 40.441 0.834 1
1 11 . 17 1 1 A 4 4 ASP N N 4 119.687 119.780 -0.093 1
1 12 . 17 1 1 A 8 8 ASN H H 8 9.232 8.769 0.463 1
1 13 . 17 1 1 A 8 8 ASN HA H 8 5.076 5.303 -0.227 1
1 16 . 17 1 1 A 8 8 ASN CA C 8 52.276 53.101 -0.825 1
1 17 . 17 1 1 A 8 8 ASN CB C 8 38.566 39.861 -1.295 1
1 18 . 17 1 1 A 8 8 ASN N N 8 129.984 127.069 2.915 1
1 19 . 17 1 1 A 13 13 ASN H H 13 8.616 7.961 0.655 1
1 20 . 17 1 1 A 13 13 ASN HA H 13 5.024 4.414 0.610 1
1 25 . 17 1 1 A 13 13 ASN CA C 13 52.945 56.734 -3.789 1
1 26 . 17 1 1 A 13 13 ASN CB C 13 39.596 39.313 0.283 1
1 27 . 17 1 1 A 13 13 ASN N N 13 122.544 118.805 3.739 1
1 29 . 17 1 1 A 14 14 VAL H H 14 8.619 7.723 0.896 1
1 30 . 17 1 1 A 14 14 VAL HA H 14 4.133 4.083 0.050 1
1 38 . 17 1 1 A 14 14 VAL CA C 14 61.096 63.483 -2.387 1
1 39 . 17 1 1 A 14 14 VAL CB C 14 32.009 33.128 -1.119 1
1 42 . 17 1 1 A 14 14 VAL N N 14 122.742 117.522 5.220 1
1 43 . 17 1 1 A 15 15 ARG H H 15 9.322 7.725 1.597 1
1 44 . 17 1 1 A 15 15 ARG HA H 15 5.514 4.537 0.977 1
1 51 . 17 1 1 A 15 15 ARG CA C 15 53.646 54.398 -0.752 1
1 52 . 17 1 1 A 15 15 ARG CB C 15 34.426 32.634 1.792 1
1 55 . 17 1 1 A 15 15 ARG N N 15 125.781 119.056 6.725 1
1 56 . 17 1 1 A 16 16 SER H H 16 8.730 9.051 -0.321 1
1 57 . 17 1 1 A 16 16 SER HA H 16 4.470 4.071 0.399 1
1 60 . 17 1 1 A 16 16 SER CA C 16 59.017 59.057 -0.040 1
1 61 . 17 1 1 A 16 16 SER CB C 16 19.276 61.778 -42.502 1
1 62 . 17 1 1 A 16 16 SER N N 16 112.631 116.747 -4.116 1
1 63 . 17 1 1 A 18 18 GLU H H 18 6.979 8.556 -1.577 1
1 64 . 17 1 1 A 18 18 GLU HA H 18 4.421 4.414 0.007 1
1 69 . 17 1 1 A 18 18 GLU N N 18 113.293 120.855 -7.562 1
1 70 . 17 1 1 A 19 19 GLY H H 19 6.314 8.253 -1.939 1
1 71 . 17 1 1 A 19 19 GLY HA2 H 19 4.306 4.051 0.255 1
1 72 . 17 1 1 A 19 19 GLY HA3 H 19 3.916 4.074 -0.158 1
1 73 . 17 1 1 A 19 19 GLY CA C 19 45.334 46.027 -0.693 1
1 74 . 17 1 1 A 19 19 GLY N N 19 110.212 111.910 -1.698 1
1 75 . 17 1 1 A 20 20 THR H H 20 8.804 7.952 0.852 1
1 76 . 17 1 1 A 20 20 THR HA H 20 4.078 4.541 -0.463 1
1 81 . 17 1 1 A 20 20 THR CA C 20 63.267 63.765 -0.498 1
1 82 . 17 1 1 A 20 20 THR CB C 20 68.097 70.609 -2.512 1
1 84 . 17 1 1 A 20 20 THR N N 20 110.310 114.884 -4.574 1
1 85 . 17 1 1 A 21 21 ASN H H 21 8.752 7.644 1.108 1
1 86 . 17 1 1 A 21 21 ASN HA H 21 4.580 4.927 -0.347 1
1 91 . 17 1 1 A 21 21 ASN CA C 21 52.935 51.733 1.202 1
1 92 . 17 1 1 A 21 21 ASN CB C 21 36.494 42.259 -5.765 1
1 93 . 17 1 1 A 21 21 ASN N N 21 115.437 115.948 -0.511 1
1 95 . 17 1 1 A 22 22 TYR H H 22 6.870 7.770 -0.900 1
1 96 . 17 1 1 A 22 22 TYR HA H 22 4.277 4.798 -0.521 1
1 103 . 17 1 1 A 22 22 TYR CA C 22 58.483 57.322 1.161 1
1 104 . 17 1 1 A 22 22 TYR CB C 22 39.094 39.594 -0.500 1
1 109 . 17 1 1 A 22 22 TYR N N 22 118.413 120.660 -2.247 1
1 110 . 17 1 1 A 23 23 ARG H H 23 8.107 7.763 0.344 1
1 111 . 17 1 1 A 23 23 ARG HA H 23 4.135 4.512 -0.377 1
1 118 . 17 1 1 A 23 23 ARG CA C 23 56.315 56.159 0.156 1
1 119 . 17 1 1 A 23 23 ARG CB C 23 30.936 30.946 -0.010 1
1 122 . 17 1 1 A 23 23 ARG N N 23 120.620 119.716 0.904 1
1 123 . 17 1 1 A 24 24 ILE H H 24 8.535 7.646 0.889 1
1 124 . 17 1 1 A 24 24 ILE HA H 24 4.296 3.645 0.651 1
1 134 . 17 1 1 A 24 24 ILE CA C 24 61.695 65.701 -4.006 1
1 135 . 17 1 1 A 24 24 ILE CB C 24 37.876 37.997 -0.121 1
1 139 . 17 1 1 A 24 24 ILE N N 24 121.314 119.644 1.670 1
1 140 . 17 1 1 A 25 25 ILE H H 25 8.995 8.096 0.899 1
1 141 . 17 1 1 A 25 25 ILE HA H 25 4.542 3.777 0.765 1
1 151 . 17 1 1 A 25 25 ILE CA C 25 60.963 62.178 -1.215 1
1 152 . 17 1 1 A 25 25 ILE CB C 25 38.523 38.667 -0.144 1
1 156 . 17 1 1 A 25 25 ILE N N 25 121.558 117.747 3.811 1
1 157 . 17 1 1 A 26 26 GLY H H 26 7.396 7.295 0.101 1
1 158 . 17 1 1 A 26 26 GLY HA2 H 26 4.140 4.020 0.120 1
1 159 . 17 1 1 A 26 26 GLY HA3 H 26 4.002 4.027 -0.025 1
1 160 . 17 1 1 A 26 26 GLY CA C 26 44.715 44.887 -0.172 1
1 161 . 17 1 1 A 26 26 GLY N N 26 108.443 105.959 2.484 1
1 162 . 17 1 1 A 27 27 ALA H H 27 7.996 8.235 -0.239 1
1 163 . 17 1 1 A 27 27 ALA HA H 27 5.211 4.821 0.390 1
1 167 . 17 1 1 A 27 27 ALA CA C 27 50.903 50.745 0.158 1
1 168 . 17 1 1 A 27 27 ALA CB C 27 21.348 19.821 1.527 1
1 169 . 17 1 1 A 27 27 ALA N N 27 120.625 122.649 -2.024 1
1 170 . 17 1 1 A 29 29 PRO HA H 29 4.952 4.497 0.455 1
1 177 . 17 1 1 A 29 29 PRO CA C 29 50.614 63.477 -12.863 1
1 178 . 17 1 1 A 29 29 PRO CB C 29 26.144 32.515 -6.371 1
1 181 . 17 1 1 A 32 32 GLN H H 32 9.259 7.767 1.492 1
1 182 . 17 1 1 A 32 32 GLN HA H 32 5.443 4.878 0.565 1
1 183 . 17 1 1 A 32 32 GLN CA C 32 55.719 54.505 1.214 1
1 184 . 17 1 1 A 32 32 GLN N N 32 116.392 119.748 -3.356 1
1 185 . 17 1 1 A 34 34 VAL H H 34 8.618 8.216 0.402 1
1 186 . 17 1 1 A 34 34 VAL HA H 34 4.132 4.478 -0.346 1
1 194 . 17 1 1 A 34 34 VAL CA C 34 61.096 63.276 -2.180 1
1 195 . 17 1 1 A 34 34 VAL CB C 34 32.009 33.423 -1.414 1
1 198 . 17 1 1 A 34 34 VAL N N 34 122.742 118.348 4.394 1
1 200 . 17 1 1 A 37 37 ILE H H 37 9.258 7.645 1.613 1
1 201 . 17 1 1 A 37 37 ILE HA H 37 3.892 4.070 -0.178 1
1 211 . 17 1 1 A 37 37 ILE CA C 37 63.577 63.105 0.472 1
1 212 . 17 1 1 A 37 37 ILE CB C 37 39.554 38.547 1.007 1
1 216 . 17 1 1 A 37 37 ILE N N 37 129.778 130.664 -0.886 1
1 217 . 17 1 1 A 38 38 SER H H 38 7.438 7.485 -0.047 1
1 218 . 17 1 1 A 38 38 SER HA H 38 4.463 4.586 -0.123 1
1 221 . 17 1 1 A 38 38 SER CA C 38 57.098 57.469 -0.371 1
1 222 . 17 1 1 A 38 38 SER CB C 38 63.350 65.051 -1.701 1
1 223 . 17 1 1 A 38 38 SER N N 38 109.846 111.107 -1.261 1
1 224 . 17 1 1 A 39 39 GLU H H 39 8.698 8.813 -0.115 1
1 225 . 17 1 1 A 39 39 GLU HA H 39 5.181 5.620 -0.439 1
1 230 . 17 1 1 A 39 39 GLU CA C 39 55.046 53.978 1.068 1
1 231 . 17 1 1 A 39 39 GLU CB C 39 32.339 34.381 -2.042 1
1 233 . 17 1 1 A 39 39 GLU N N 39 120.149 120.488 -0.339 1
1 234 . 17 1 1 A 40 40 ASN H H 40 8.802 9.636 -0.834 1
1 235 . 17 1 1 A 40 40 ASN HA H 40 4.774 5.008 -0.234 1
1 240 . 17 1 1 A 40 40 ASN CA C 40 54.054 52.966 1.088 1
1 241 . 17 1 1 A 40 40 ASN CB C 40 41.280 41.083 0.197 1
1 242 . 17 1 1 A 40 40 ASN N N 40 119.687 120.305 -0.618 1
1 244 . 17 1 1 A 41 41 SER H H 41 9.138 9.345 -0.207 1
1 245 . 17 1 1 A 41 41 SER HA H 41 4.054 4.074 -0.020 1
1 248 . 17 1 1 A 41 41 SER CA C 41 58.464 59.248 -0.784 1
1 249 . 17 1 1 A 41 41 SER CB C 41 61.911 62.128 -0.217 1
1 250 . 17 1 1 A 41 41 SER N N 41 118.754 122.056 -3.302 1
1 251 . 17 1 1 A 42 42 GLY H H 42 8.411 8.388 0.023 1
1 252 . 17 1 1 A 42 42 GLY HA2 H 42 4.080 3.947 0.133 1
1 253 . 17 1 1 A 42 42 GLY HA3 H 42 3.419 3.993 -0.574 1
1 254 . 17 1 1 A 42 42 GLY CA C 42 45.042 45.258 -0.216 1
1 255 . 17 1 1 A 42 42 GLY N N 42 105.488 105.644 -0.156 1
1 256 . 17 1 1 A 43 43 TRP H H 43 8.216 7.494 0.722 1
1 257 . 17 1 1 A 43 43 TRP HA H 43 5.046 5.313 -0.267 1
1 266 . 17 1 1 A 43 43 TRP CA C 43 56.182 56.804 -0.622 1
1 267 . 17 1 1 A 43 43 TRP CB C 43 32.162 31.886 0.276 1
1 273 . 17 1 1 A 43 43 TRP N N 43 122.262 121.611 0.651 1
1 275 . 17 1 1 A 44 44 SER H H 44 10.151 9.497 0.654 1
1 276 . 17 1 1 A 44 44 SER HA H 44 5.028 5.315 -0.287 1
1 279 . 17 1 1 A 44 44 SER CA C 44 58.463 57.694 0.769 1
1 280 . 17 1 1 A 44 44 SER CB C 44 64.198 64.633 -0.435 1
1 281 . 17 1 1 A 44 44 SER N N 44 122.494 118.901 3.593 1
1 282 . 17 1 1 A 45 45 LYS H H 45 8.905 8.743 0.162 1
1 283 . 17 1 1 A 45 45 LYS HA H 45 4.474 4.588 -0.114 1
1 292 . 17 1 1 A 45 45 LYS CA C 45 55.039 56.032 -0.993 1
1 293 . 17 1 1 A 45 45 LYS CB C 45 33.755 33.379 0.376 1
1 297 . 17 1 1 A 45 45 LYS N N 45 128.116 127.428 0.688 1
1 298 . 17 1 1 A 46 46 ILE H H 46 8.912 8.839 0.073 1
1 299 . 17 1 1 A 46 46 ILE HA H 46 4.974 4.848 0.126 1
1 309 . 17 1 1 A 46 46 ILE CA C 46 58.570 58.656 -0.086 1
1 310 . 17 1 1 A 46 46 ILE CB C 46 42.651 42.044 0.607 1
1 314 . 17 1 1 A 46 46 ILE N N 46 119.419 120.898 -1.479 1
1 315 . 17 1 1 A 47 47 ASN H H 47 8.855 8.822 0.033 1
1 316 . 17 1 1 A 47 47 ASN HA H 47 5.016 5.616 -0.600 1
1 321 . 17 1 1 A 47 47 ASN CA C 47 52.281 52.427 -0.146 1
1 322 . 17 1 1 A 47 47 ASN CB C 47 39.208 39.391 -0.183 1
1 323 . 17 1 1 A 47 47 ASN N N 47 119.209 120.993 -1.784 1
1 325 . 17 1 1 A 48 48 TYR H H 48 9.147 9.065 0.082 1
1 326 . 17 1 1 A 48 48 TYR HA H 48 4.647 4.806 -0.159 1
1 333 . 17 1 1 A 48 48 TYR CA C 48 56.347 57.573 -1.226 1
1 334 . 17 1 1 A 48 48 TYR CB C 48 39.210 40.664 -1.454 1
1 339 . 17 1 1 A 48 48 TYR N N 48 126.582 126.371 0.211 1
1 340 . 17 1 1 A 49 49 ASN H H 49 8.807 9.044 -0.237 1
1 341 . 17 1 1 A 49 49 ASN HA H 49 4.110 4.246 -0.136 1
1 346 . 17 1 1 A 49 49 ASN CA C 49 53.309 54.190 -0.881 1
1 347 . 17 1 1 A 49 49 ASN CB C 49 37.118 36.943 0.175 1
1 348 . 17 1 1 A 49 49 ASN N N 49 125.133 125.306 -0.173 1
1 350 . 17 1 1 A 50 50 GLY H H 50 8.202 8.243 -0.041 1
1 351 . 17 1 1 A 50 50 GLY HA2 H 50 4.149 3.800 0.349 1
1 352 . 17 1 1 A 50 50 GLY HA3 H 50 3.626 3.804 -0.178 1
1 353 . 17 1 1 A 50 50 GLY CA C 50 45.402 45.270 0.132 1
1 354 . 17 1 1 A 50 50 GLY N N 50 104.198 104.283 -0.085 1
1 355 . 17 1 1 A 51 51 GLN H H 51 7.799 7.531 0.268 1
1 356 . 17 1 1 A 51 51 GLN HA H 51 4.651 4.484 0.167 1
1 363 . 17 1 1 A 51 51 GLN CA C 51 53.530 54.991 -1.461 1
1 364 . 17 1 1 A 51 51 GLN CB C 51 31.653 30.195 1.458 1
1 366 . 17 1 1 A 51 51 GLN N N 51 119.235 119.214 0.021 1
1 368 . 17 1 1 A 52 52 THR H H 52 8.491 8.571 -0.080 1
1 369 . 17 1 1 A 52 52 THR HA H 52 4.546 4.541 0.005 1
1 374 . 17 1 1 A 52 52 THR CA C 52 62.631 60.765 1.866 1
1 375 . 17 1 1 A 52 52 THR CB C 52 69.224 69.166 0.058 1
1 377 . 17 1 1 A 52 52 THR N N 52 118.279 118.798 -0.519 1
1 378 . 17 1 1 A 53 53 GLY H H 53 8.406 8.835 -0.429 1
1 379 . 17 1 1 A 53 53 GLY HA2 H 53 4.588 4.243 0.345 1
1 380 . 17 1 1 A 53 53 GLY HA3 H 53 3.115 4.250 -1.135 1
1 381 . 17 1 1 A 53 53 GLY CA C 53 43.338 44.064 -0.726 1
1 382 . 17 1 1 A 53 53 GLY N N 53 111.718 113.387 -1.669 1
1 383 . 17 1 1 A 54 54 TYR H H 54 8.734 8.510 0.224 1
1 384 . 17 1 1 A 54 54 TYR HA H 54 5.667 5.580 0.087 1
1 391 . 17 1 1 A 54 54 TYR CA C 54 56.403 56.347 0.056 1
1 392 . 17 1 1 A 54 54 TYR CB C 54 41.962 42.968 -1.006 1
1 397 . 17 1 1 A 54 54 TYR N N 54 116.106 118.752 -2.646 1
1 398 . 17 1 1 A 55 55 ILE H H 55 9.160 9.062 0.098 1
1 399 . 17 1 1 A 55 55 ILE HA H 55 5.318 4.727 0.591 1
1 409 . 17 1 1 A 55 55 ILE CA C 55 58.471 59.075 -0.604 1
1 410 . 17 1 1 A 55 55 ILE CB C 55 42.618 41.359 1.259 1
1 414 . 17 1 1 A 55 55 ILE N N 55 115.023 117.541 -2.518 1
1 415 . 17 1 1 A 56 56 GLY H H 56 9.066 8.782 0.284 1
1 416 . 17 1 1 A 56 56 GLY HA2 H 56 3.612 4.341 -0.729 1
1 417 . 17 1 1 A 56 56 GLY HA3 H 56 3.164 4.427 -1.263 1
1 418 . 17 1 1 A 56 56 GLY CA C 56 46.091 44.320 1.771 1
1 419 . 17 1 1 A 56 56 GLY N N 56 111.661 109.189 2.472 1
1 420 . 17 1 1 A 57 57 THR H H 57 8.142 9.141 -0.999 1
1 421 . 17 1 1 A 57 57 THR HA H 57 3.436 4.014 -0.578 1
1 426 . 17 1 1 A 57 57 THR CA C 57 65.333 65.841 -0.508 1
1 427 . 17 1 1 A 57 57 THR CB C 57 68.778 68.757 0.021 1
1 429 . 17 1 1 A 57 57 THR N N 57 124.844 118.108 6.736 1
1 430 . 17 1 1 A 58 58 ARG H H 58 8.261 8.189 0.072 1
1 431 . 17 1 1 A 58 58 ARG HA H 58 3.990 4.009 -0.019 1
1 438 . 17 1 1 A 58 58 ARG CA C 58 57.045 59.475 -2.430 1
1 439 . 17 1 1 A 58 58 ARG CB C 58 28.213 30.082 -1.869 1
1 442 . 17 1 1 A 58 58 ARG N N 58 116.486 119.029 -2.543 1
1 443 . 17 1 1 A 59 59 TYR H H 59 7.298 7.897 -0.599 1
1 444 . 17 1 1 A 59 59 TYR HA H 59 4.775 5.301 -0.526 1
1 451 . 17 1 1 A 59 59 TYR CA C 59 53.961 56.512 -2.551 1
1 452 . 17 1 1 A 59 59 TYR CB C 59 38.522 40.817 -2.295 1
1 457 . 17 1 1 A 59 59 TYR N N 59 118.931 115.799 3.132 1
1 458 . 17 1 1 A 60 60 LEU H H 60 7.430 8.835 -1.405 1
1 459 . 17 1 1 A 60 60 LEU HA H 60 5.028 4.950 0.078 1
1 469 . 17 1 1 A 60 60 LEU CA C 60 52.950 53.657 -0.707 1
1 470 . 17 1 1 A 60 60 LEU CB C 60 44.020 46.902 -2.882 1
1 474 . 17 1 1 A 60 60 LEU N N 60 118.281 124.779 -6.498 1
1 475 . 17 1 1 A 61 61 SER H H 61 8.959 8.991 -0.032 1
1 476 . 17 1 1 A 61 61 SER HA H 61 4.894 5.248 -0.354 1
1 479 . 17 1 1 A 61 61 SER CA C 61 56.428 56.659 -0.231 1
1 480 . 17 1 1 A 61 61 SER CB C 61 65.345 64.672 0.673 1
1 481 . 17 1 1 A 61 61 SER N N 61 115.830 117.173 -1.343 1
1 482 . 17 1 1 A 62 62 LYS H H 62 8.872 8.846 0.026 1
1 483 . 17 1 1 A 62 62 LYS HA H 62 3.960 4.346 -0.386 1
1 492 . 17 1 1 A 62 62 LYS CA C 62 57.079 56.960 0.119 1
1 493 . 17 1 1 A 62 62 LYS CB C 62 33.016 33.104 -0.088 1
1 497 . 17 1 1 A 62 62 LYS N N 62 125.311 125.122 0.189 1
1 498 . 17 1 1 A 63 63 LEU H H 63 7.997 8.785 -0.788 1
1 499 . 17 1 1 A 63 63 LEU HA H 63 4.328 4.333 -0.005 1
1 509 . 17 1 1 A 63 63 LEU CA C 63 54.323 55.671 -1.348 1
1 510 . 17 1 1 A 63 63 LEU CB C 63 42.672 41.389 1.283 1
1 514 . 17 1 1 A 63 63 LEU N N 63 121.820 122.338 -0.518 1
1 515 . 17 1 1 A 64 64 GLU H H 64 8.274 7.841 0.433 1
1 1 . 18 1 1 A 3 3 GLY H H 3 8.337 8.666 -0.329 1
1 2 . 18 1 1 A 3 3 GLY HA2 H 3 4.308 3.999 0.309 1
1 3 . 18 1 1 A 3 3 GLY HA3 H 3 3.880 3.999 -0.119 1
1 4 . 18 1 1 A 3 3 GLY CA C 3 44.714 46.531 -1.817 1
1 5 . 18 1 1 A 4 4 ASP H H 4 8.223 8.343 -0.120 1
1 6 . 18 1 1 A 4 4 ASP HA H 4 5.315 4.455 0.860 1
1 9 . 18 1 1 A 4 4 ASP CA C 4 58.458 56.733 1.725 1
1 10 . 18 1 1 A 4 4 ASP CB C 4 41.275 40.441 0.834 1
1 11 . 18 1 1 A 4 4 ASP N N 4 119.687 120.320 -0.633 1
1 12 . 18 1 1 A 8 8 ASN H H 8 9.232 8.483 0.749 1
1 13 . 18 1 1 A 8 8 ASN HA H 8 5.076 5.009 0.067 1
1 16 . 18 1 1 A 8 8 ASN CA C 8 52.276 51.210 1.066 1
1 17 . 18 1 1 A 8 8 ASN CB C 8 38.566 39.270 -0.704 1
1 18 . 18 1 1 A 8 8 ASN N N 8 129.984 125.590 4.394 1
1 19 . 18 1 1 A 13 13 ASN H H 13 8.616 8.241 0.375 1
1 20 . 18 1 1 A 13 13 ASN HA H 13 5.024 4.984 0.040 1
1 25 . 18 1 1 A 13 13 ASN CA C 13 52.945 52.999 -0.054 1
1 26 . 18 1 1 A 13 13 ASN CB C 13 39.596 39.825 -0.229 1
1 27 . 18 1 1 A 13 13 ASN N N 13 122.544 115.886 6.658 1
1 29 . 18 1 1 A 14 14 VAL H H 14 8.619 7.756 0.863 1
1 30 . 18 1 1 A 14 14 VAL HA H 14 4.133 3.625 0.508 1
1 38 . 18 1 1 A 14 14 VAL CA C 14 61.096 66.548 -5.452 1
1 39 . 18 1 1 A 14 14 VAL CB C 14 32.009 31.576 0.433 1
1 42 . 18 1 1 A 14 14 VAL N N 14 122.742 119.137 3.605 1
1 43 . 18 1 1 A 15 15 ARG H H 15 9.322 8.060 1.262 1
1 44 . 18 1 1 A 15 15 ARG HA H 15 5.514 3.888 1.626 1
1 51 . 18 1 1 A 15 15 ARG CA C 15 53.646 56.894 -3.248 1
1 52 . 18 1 1 A 15 15 ARG CB C 15 34.426 28.951 5.475 1
1 55 . 18 1 1 A 15 15 ARG N N 15 125.781 122.185 3.596 1
1 56 . 18 1 1 A 16 16 SER H H 16 8.730 8.607 0.123 1
1 57 . 18 1 1 A 16 16 SER HA H 16 4.470 4.113 0.357 1
1 60 . 18 1 1 A 16 16 SER CA C 16 59.017 59.062 -0.045 1
1 61 . 18 1 1 A 16 16 SER CB C 16 19.276 60.989 -41.713 1
1 62 . 18 1 1 A 16 16 SER N N 16 112.631 113.098 -0.467 1
1 63 . 18 1 1 A 18 18 GLU H H 18 6.979 7.678 -0.699 1
1 64 . 18 1 1 A 18 18 GLU HA H 18 4.421 4.869 -0.448 1
1 69 . 18 1 1 A 18 18 GLU N N 18 113.293 119.631 -6.338 1
1 70 . 18 1 1 A 19 19 GLY H H 19 6.314 8.384 -2.070 1
1 71 . 18 1 1 A 19 19 GLY HA2 H 19 4.306 3.492 0.814 1
1 72 . 18 1 1 A 19 19 GLY HA3 H 19 3.916 3.843 0.073 1
1 73 . 18 1 1 A 19 19 GLY CA C 19 45.334 45.419 -0.085 1
1 74 . 18 1 1 A 19 19 GLY N N 19 110.212 114.963 -4.751 1
1 75 . 18 1 1 A 20 20 THR H H 20 8.804 7.988 0.816 1
1 76 . 18 1 1 A 20 20 THR HA H 20 4.078 4.191 -0.113 1
1 81 . 18 1 1 A 20 20 THR CA C 20 63.267 63.799 -0.532 1
1 82 . 18 1 1 A 20 20 THR CB C 20 68.097 69.896 -1.799 1
1 84 . 18 1 1 A 20 20 THR N N 20 110.310 114.757 -4.447 1
1 85 . 18 1 1 A 21 21 ASN H H 21 8.752 7.801 0.951 1
1 86 . 18 1 1 A 21 21 ASN HA H 21 4.580 4.648 -0.068 1
1 91 . 18 1 1 A 21 21 ASN CA C 21 52.935 51.576 1.359 1
1 92 . 18 1 1 A 21 21 ASN CB C 21 36.494 41.804 -5.310 1
1 93 . 18 1 1 A 21 21 ASN N N 21 115.437 118.297 -2.860 1
1 95 . 18 1 1 A 22 22 TYR H H 22 6.870 8.470 -1.600 1
1 96 . 18 1 1 A 22 22 TYR HA H 22 4.277 4.599 -0.322 1
1 103 . 18 1 1 A 22 22 TYR CA C 22 58.483 57.918 0.565 1
1 104 . 18 1 1 A 22 22 TYR CB C 22 39.094 38.322 0.772 1
1 109 . 18 1 1 A 22 22 TYR N N 22 118.413 124.352 -5.939 1
1 110 . 18 1 1 A 23 23 ARG H H 23 8.107 8.280 -0.173 1
1 111 . 18 1 1 A 23 23 ARG HA H 23 4.135 4.429 -0.294 1
1 118 . 18 1 1 A 23 23 ARG CA C 23 56.315 56.230 0.085 1
1 119 . 18 1 1 A 23 23 ARG CB C 23 30.936 31.125 -0.189 1
1 122 . 18 1 1 A 23 23 ARG N N 23 120.620 121.518 -0.898 1
1 123 . 18 1 1 A 24 24 ILE H H 24 8.535 7.572 0.963 1
1 124 . 18 1 1 A 24 24 ILE HA H 24 4.296 4.114 0.182 1
1 134 . 18 1 1 A 24 24 ILE CA C 24 61.695 60.386 1.309 1
1 135 . 18 1 1 A 24 24 ILE CB C 24 37.876 37.555 0.321 1
1 139 . 18 1 1 A 24 24 ILE N N 24 121.314 113.229 8.085 1
1 140 . 18 1 1 A 25 25 ILE H H 25 8.995 7.864 1.131 1
1 141 . 18 1 1 A 25 25 ILE HA H 25 4.542 4.022 0.520 1
1 151 . 18 1 1 A 25 25 ILE CA C 25 60.963 63.157 -2.194 1
1 152 . 18 1 1 A 25 25 ILE CB C 25 38.523 36.366 2.157 1
1 156 . 18 1 1 A 25 25 ILE N N 25 121.558 119.125 2.433 1
1 157 . 18 1 1 A 26 26 GLY H H 26 7.396 8.281 -0.885 1
1 158 . 18 1 1 A 26 26 GLY HA2 H 26 4.140 4.098 0.042 1
1 159 . 18 1 1 A 26 26 GLY HA3 H 26 4.002 4.100 -0.098 1
1 160 . 18 1 1 A 26 26 GLY CA C 26 44.715 45.613 -0.898 1
1 161 . 18 1 1 A 26 26 GLY N N 26 108.443 111.481 -3.038 1
1 162 . 18 1 1 A 27 27 ALA H H 27 7.996 7.569 0.427 1
1 163 . 18 1 1 A 27 27 ALA HA H 27 5.211 5.130 0.081 1
1 167 . 18 1 1 A 27 27 ALA CA C 27 50.903 51.352 -0.449 1
1 168 . 18 1 1 A 27 27 ALA CB C 27 21.348 23.096 -1.748 1
1 169 . 18 1 1 A 27 27 ALA N N 27 120.625 120.856 -0.231 1
1 170 . 18 1 1 A 29 29 PRO HA H 29 4.952 4.744 0.208 1
1 177 . 18 1 1 A 29 29 PRO CA C 29 50.614 62.422 -11.808 1
1 178 . 18 1 1 A 29 29 PRO CB C 29 26.144 29.614 -3.470 1
1 181 . 18 1 1 A 32 32 GLN H H 32 9.259 7.781 1.478 1
1 182 . 18 1 1 A 32 32 GLN HA H 32 5.443 4.934 0.509 1
1 183 . 18 1 1 A 32 32 GLN CA C 32 55.719 54.843 0.876 1
1 184 . 18 1 1 A 32 32 GLN N N 32 116.392 119.969 -3.577 1
1 185 . 18 1 1 A 34 34 VAL H H 34 8.618 8.781 -0.163 1
1 186 . 18 1 1 A 34 34 VAL HA H 34 4.132 4.924 -0.792 1
1 194 . 18 1 1 A 34 34 VAL CA C 34 61.096 59.693 1.403 1
1 195 . 18 1 1 A 34 34 VAL CB C 34 32.009 34.122 -2.113 1
1 198 . 18 1 1 A 34 34 VAL N N 34 122.742 119.906 2.836 1
1 200 . 18 1 1 A 37 37 ILE H H 37 9.258 8.800 0.458 1
1 201 . 18 1 1 A 37 37 ILE HA H 37 3.892 4.026 -0.134 1
1 211 . 18 1 1 A 37 37 ILE CA C 37 63.577 63.446 0.131 1
1 212 . 18 1 1 A 37 37 ILE CB C 37 39.554 38.561 0.993 1
1 216 . 18 1 1 A 37 37 ILE N N 37 129.778 129.834 -0.056 1
1 217 . 18 1 1 A 38 38 SER H H 38 7.438 7.520 -0.082 1
1 218 . 18 1 1 A 38 38 SER HA H 38 4.463 4.622 -0.159 1
1 221 . 18 1 1 A 38 38 SER CA C 38 57.098 57.555 -0.457 1
1 222 . 18 1 1 A 38 38 SER CB C 38 63.350 65.298 -1.948 1
1 223 . 18 1 1 A 38 38 SER N N 38 109.846 111.415 -1.569 1
1 224 . 18 1 1 A 39 39 GLU H H 39 8.698 8.870 -0.172 1
1 225 . 18 1 1 A 39 39 GLU HA H 39 5.181 5.474 -0.293 1
1 230 . 18 1 1 A 39 39 GLU CA C 39 55.046 54.243 0.803 1
1 231 . 18 1 1 A 39 39 GLU CB C 39 32.339 33.911 -1.572 1
1 233 . 18 1 1 A 39 39 GLU N N 39 120.149 121.357 -1.208 1
1 234 . 18 1 1 A 40 40 ASN H H 40 8.802 9.462 -0.660 1
1 235 . 18 1 1 A 40 40 ASN HA H 40 4.774 4.956 -0.182 1
1 240 . 18 1 1 A 40 40 ASN CA C 40 54.054 53.411 0.643 1
1 241 . 18 1 1 A 40 40 ASN CB C 40 41.280 41.050 0.230 1
1 242 . 18 1 1 A 40 40 ASN N N 40 119.687 119.207 0.480 1
1 244 . 18 1 1 A 41 41 SER H H 41 9.138 9.419 -0.281 1
1 245 . 18 1 1 A 41 41 SER HA H 41 4.054 4.097 -0.043 1
1 248 . 18 1 1 A 41 41 SER CA C 41 58.464 59.258 -0.794 1
1 249 . 18 1 1 A 41 41 SER CB C 41 61.911 62.077 -0.166 1
1 250 . 18 1 1 A 41 41 SER N N 41 118.754 122.032 -3.278 1
1 251 . 18 1 1 A 42 42 GLY H H 42 8.411 8.497 -0.086 1
1 252 . 18 1 1 A 42 42 GLY HA2 H 42 4.080 3.883 0.197 1
1 253 . 18 1 1 A 42 42 GLY HA3 H 42 3.419 4.062 -0.643 1
1 254 . 18 1 1 A 42 42 GLY CA C 42 45.042 45.283 -0.241 1
1 255 . 18 1 1 A 42 42 GLY N N 42 105.488 105.562 -0.074 1
1 256 . 18 1 1 A 43 43 TRP H H 43 8.216 7.888 0.328 1
1 257 . 18 1 1 A 43 43 TRP HA H 43 5.046 5.060 -0.014 1
1 266 . 18 1 1 A 43 43 TRP CA C 43 56.182 57.145 -0.963 1
1 267 . 18 1 1 A 43 43 TRP CB C 43 32.162 31.659 0.503 1
1 273 . 18 1 1 A 43 43 TRP N N 43 122.262 121.297 0.965 1
1 275 . 18 1 1 A 44 44 SER H H 44 10.151 9.131 1.020 1
1 276 . 18 1 1 A 44 44 SER HA H 44 5.028 5.273 -0.245 1
1 279 . 18 1 1 A 44 44 SER CA C 44 58.463 56.331 2.132 1
1 280 . 18 1 1 A 44 44 SER CB C 44 64.198 65.064 -0.866 1
1 281 . 18 1 1 A 44 44 SER N N 44 122.494 116.694 5.800 1
1 282 . 18 1 1 A 45 45 LYS H H 45 8.905 8.741 0.164 1
1 283 . 18 1 1 A 45 45 LYS HA H 45 4.474 4.704 -0.230 1
1 292 . 18 1 1 A 45 45 LYS CA C 45 55.039 55.773 -0.734 1
1 293 . 18 1 1 A 45 45 LYS CB C 45 33.755 33.481 0.274 1
1 297 . 18 1 1 A 45 45 LYS N N 45 128.116 126.434 1.682 1
1 298 . 18 1 1 A 46 46 ILE H H 46 8.912 8.632 0.280 1
1 299 . 18 1 1 A 46 46 ILE HA H 46 4.974 4.928 0.046 1
1 309 . 18 1 1 A 46 46 ILE CA C 46 58.570 58.764 -0.194 1
1 310 . 18 1 1 A 46 46 ILE CB C 46 42.651 42.227 0.424 1
1 314 . 18 1 1 A 46 46 ILE N N 46 119.419 121.030 -1.611 1
1 315 . 18 1 1 A 47 47 ASN H H 47 8.855 8.840 0.015 1
1 316 . 18 1 1 A 47 47 ASN HA H 47 5.016 5.386 -0.370 1
1 321 . 18 1 1 A 47 47 ASN CA C 47 52.281 51.345 0.936 1
1 322 . 18 1 1 A 47 47 ASN CB C 47 39.208 40.540 -1.332 1
1 323 . 18 1 1 A 47 47 ASN N N 47 119.209 123.624 -4.415 1
1 325 . 18 1 1 A 48 48 TYR H H 48 9.147 9.617 -0.470 1
1 326 . 18 1 1 A 48 48 TYR HA H 48 4.647 4.845 -0.198 1
1 333 . 18 1 1 A 48 48 TYR CA C 48 56.347 57.561 -1.214 1
1 334 . 18 1 1 A 48 48 TYR CB C 48 39.210 41.141 -1.931 1
1 339 . 18 1 1 A 48 48 TYR N N 48 126.582 128.068 -1.486 1
1 340 . 18 1 1 A 49 49 ASN H H 49 8.807 9.208 -0.401 1
1 341 . 18 1 1 A 49 49 ASN HA H 49 4.110 4.379 -0.269 1
1 346 . 18 1 1 A 49 49 ASN CA C 49 53.309 54.035 -0.726 1
1 347 . 18 1 1 A 49 49 ASN CB C 49 37.118 37.566 -0.448 1
1 348 . 18 1 1 A 49 49 ASN N N 49 125.133 126.378 -1.245 1
1 350 . 18 1 1 A 50 50 GLY H H 50 8.202 8.455 -0.253 1
1 351 . 18 1 1 A 50 50 GLY HA2 H 50 4.149 3.831 0.318 1
1 352 . 18 1 1 A 50 50 GLY HA3 H 50 3.626 3.838 -0.212 1
1 353 . 18 1 1 A 50 50 GLY CA C 50 45.402 45.397 0.005 1
1 354 . 18 1 1 A 50 50 GLY N N 50 104.198 104.201 -0.003 1
1 355 . 18 1 1 A 51 51 GLN H H 51 7.799 7.601 0.198 1
1 356 . 18 1 1 A 51 51 GLN HA H 51 4.651 4.892 -0.241 1
1 363 . 18 1 1 A 51 51 GLN CA C 51 53.530 53.777 -0.247 1
1 364 . 18 1 1 A 51 51 GLN CB C 51 31.653 31.732 -0.079 1
1 366 . 18 1 1 A 51 51 GLN N N 51 119.235 115.507 3.728 1
1 368 . 18 1 1 A 52 52 THR H H 52 8.491 8.453 0.038 1
1 369 . 18 1 1 A 52 52 THR HA H 52 4.546 5.093 -0.547 1
1 374 . 18 1 1 A 52 52 THR CA C 52 62.631 60.371 2.260 1
1 375 . 18 1 1 A 52 52 THR CB C 52 69.224 70.250 -1.026 1
1 377 . 18 1 1 A 52 52 THR N N 52 118.279 117.329 0.950 1
1 378 . 18 1 1 A 53 53 GLY H H 53 8.406 9.028 -0.622 1
1 379 . 18 1 1 A 53 53 GLY HA2 H 53 4.588 4.155 0.433 1
1 380 . 18 1 1 A 53 53 GLY HA3 H 53 3.115 4.157 -1.042 1
1 381 . 18 1 1 A 53 53 GLY CA C 53 43.338 43.783 -0.445 1
1 382 . 18 1 1 A 53 53 GLY N N 53 111.718 114.366 -2.648 1
1 383 . 18 1 1 A 54 54 TYR H H 54 8.734 8.761 -0.027 1
1 384 . 18 1 1 A 54 54 TYR HA H 54 5.667 5.437 0.230 1
1 391 . 18 1 1 A 54 54 TYR CA C 54 56.403 56.340 0.063 1
1 392 . 18 1 1 A 54 54 TYR CB C 54 41.962 42.827 -0.865 1
1 397 . 18 1 1 A 54 54 TYR N N 54 116.106 119.374 -3.268 1
1 398 . 18 1 1 A 55 55 ILE H H 55 9.160 8.331 0.829 1
1 399 . 18 1 1 A 55 55 ILE HA H 55 5.318 4.923 0.395 1
1 409 . 18 1 1 A 55 55 ILE CA C 55 58.471 59.124 -0.653 1
1 410 . 18 1 1 A 55 55 ILE CB C 55 42.618 41.636 0.982 1
1 414 . 18 1 1 A 55 55 ILE N N 55 115.023 116.776 -1.753 1
1 415 . 18 1 1 A 56 56 GLY H H 56 9.066 8.428 0.638 1
1 416 . 18 1 1 A 56 56 GLY HA2 H 56 3.612 4.032 -0.420 1
1 417 . 18 1 1 A 56 56 GLY HA3 H 56 3.164 4.156 -0.992 1
1 418 . 18 1 1 A 56 56 GLY CA C 56 46.091 45.892 0.199 1
1 419 . 18 1 1 A 56 56 GLY N N 56 111.661 109.549 2.112 1
1 420 . 18 1 1 A 57 57 THR H H 57 8.142 8.365 -0.223 1
1 421 . 18 1 1 A 57 57 THR HA H 57 3.436 4.288 -0.852 1
1 426 . 18 1 1 A 57 57 THR CA C 57 65.333 63.660 1.673 1
1 427 . 18 1 1 A 57 57 THR CB C 57 68.778 68.064 0.714 1
1 429 . 18 1 1 A 57 57 THR N N 57 124.844 120.039 4.805 1
1 430 . 18 1 1 A 58 58 ARG H H 58 8.261 7.848 0.413 1
1 431 . 18 1 1 A 58 58 ARG HA H 58 3.990 4.019 -0.029 1
1 438 . 18 1 1 A 58 58 ARG CA C 58 57.045 59.245 -2.200 1
1 439 . 18 1 1 A 58 58 ARG CB C 58 28.213 30.391 -2.178 1
1 442 . 18 1 1 A 58 58 ARG N N 58 116.486 119.749 -3.263 1
1 443 . 18 1 1 A 59 59 TYR H H 59 7.298 7.830 -0.532 1
1 444 . 18 1 1 A 59 59 TYR HA H 59 4.775 5.446 -0.671 1
1 451 . 18 1 1 A 59 59 TYR CA C 59 53.961 57.009 -3.048 1
1 452 . 18 1 1 A 59 59 TYR CB C 59 38.522 41.398 -2.876 1
1 457 . 18 1 1 A 59 59 TYR N N 59 118.931 115.381 3.550 1
1 458 . 18 1 1 A 60 60 LEU H H 60 7.430 9.150 -1.720 1
1 459 . 18 1 1 A 60 60 LEU HA H 60 5.028 5.288 -0.260 1
1 469 . 18 1 1 A 60 60 LEU CA C 60 52.950 53.900 -0.950 1
1 470 . 18 1 1 A 60 60 LEU CB C 60 44.020 44.064 -0.044 1
1 474 . 18 1 1 A 60 60 LEU N N 60 118.281 124.845 -6.564 1
1 475 . 18 1 1 A 61 61 SER H H 61 8.959 8.949 0.010 1
1 476 . 18 1 1 A 61 61 SER HA H 61 4.894 5.127 -0.233 1
1 479 . 18 1 1 A 61 61 SER CA C 61 56.428 56.353 0.075 1
1 480 . 18 1 1 A 61 61 SER CB C 61 65.345 66.058 -0.713 1
1 481 . 18 1 1 A 61 61 SER N N 61 115.830 118.791 -2.961 1
1 482 . 18 1 1 A 62 62 LYS H H 62 8.872 8.606 0.266 1
1 483 . 18 1 1 A 62 62 LYS HA H 62 3.960 4.362 -0.402 1
1 492 . 18 1 1 A 62 62 LYS CA C 62 57.079 56.786 0.293 1
1 493 . 18 1 1 A 62 62 LYS CB C 62 33.016 32.307 0.709 1
1 497 . 18 1 1 A 62 62 LYS N N 62 125.311 125.089 0.222 1
1 498 . 18 1 1 A 63 63 LEU H H 63 7.997 8.623 -0.626 1
1 499 . 18 1 1 A 63 63 LEU HA H 63 4.328 4.294 0.034 1
1 509 . 18 1 1 A 63 63 LEU CA C 63 54.323 56.798 -2.475 1
1 510 . 18 1 1 A 63 63 LEU CB C 63 42.672 42.130 0.542 1
1 514 . 18 1 1 A 63 63 LEU N N 63 121.820 128.634 -6.814 1
1 515 . 18 1 1 A 64 64 GLU H H 64 8.274 7.790 0.484 1
1 1 . 19 1 1 A 3 3 GLY H H 3 8.337 8.036 0.301 1
1 2 . 19 1 1 A 3 3 GLY HA2 H 3 4.308 4.063 0.245 1
1 3 . 19 1 1 A 3 3 GLY HA3 H 3 3.880 4.144 -0.264 1
1 4 . 19 1 1 A 3 3 GLY CA C 3 44.714 45.513 -0.799 1
1 5 . 19 1 1 A 4 4 ASP H H 4 8.223 7.829 0.394 1
1 6 . 19 1 1 A 4 4 ASP HA H 4 5.315 4.835 0.480 1
1 9 . 19 1 1 A 4 4 ASP CA C 4 58.458 53.855 4.603 1
1 10 . 19 1 1 A 4 4 ASP CB C 4 41.275 40.779 0.496 1
1 11 . 19 1 1 A 4 4 ASP N N 4 119.687 120.866 -1.179 1
1 12 . 19 1 1 A 8 8 ASN H H 8 9.232 8.324 0.908 1
1 13 . 19 1 1 A 8 8 ASN HA H 8 5.076 4.551 0.525 1
1 16 . 19 1 1 A 8 8 ASN CA C 8 52.276 54.491 -2.215 1
1 17 . 19 1 1 A 8 8 ASN CB C 8 38.566 38.547 0.019 1
1 18 . 19 1 1 A 8 8 ASN N N 8 129.984 124.254 5.730 1
1 19 . 19 1 1 A 13 13 ASN H H 13 8.616 8.366 0.250 1
1 20 . 19 1 1 A 13 13 ASN HA H 13 5.024 5.054 -0.030 1
1 25 . 19 1 1 A 13 13 ASN CA C 13 52.945 54.483 -1.538 1
1 26 . 19 1 1 A 13 13 ASN CB C 13 39.596 40.747 -1.151 1
1 27 . 19 1 1 A 13 13 ASN N N 13 122.544 123.955 -1.411 1
1 29 . 19 1 1 A 14 14 VAL H H 14 8.619 7.982 0.637 1
1 30 . 19 1 1 A 14 14 VAL HA H 14 4.133 4.489 -0.356 1
1 38 . 19 1 1 A 14 14 VAL CA C 14 61.096 61.423 -0.327 1
1 39 . 19 1 1 A 14 14 VAL CB C 14 32.009 31.736 0.273 1
1 42 . 19 1 1 A 14 14 VAL N N 14 122.742 117.908 4.834 1
1 43 . 19 1 1 A 15 15 ARG H H 15 9.322 7.722 1.600 1
1 44 . 19 1 1 A 15 15 ARG HA H 15 5.514 4.362 1.152 1
1 51 . 19 1 1 A 15 15 ARG CA C 15 53.646 55.528 -1.882 1
1 52 . 19 1 1 A 15 15 ARG CB C 15 34.426 29.636 4.790 1
1 55 . 19 1 1 A 15 15 ARG N N 15 125.781 123.317 2.464 1
1 56 . 19 1 1 A 16 16 SER H H 16 8.730 8.387 0.343 1
1 57 . 19 1 1 A 16 16 SER HA H 16 4.470 4.472 -0.002 1
1 60 . 19 1 1 A 16 16 SER CA C 16 59.017 59.068 -0.051 1
1 61 . 19 1 1 A 16 16 SER CB C 16 19.276 62.012 -42.736 1
1 62 . 19 1 1 A 16 16 SER N N 16 112.631 113.718 -1.087 1
1 63 . 19 1 1 A 18 18 GLU H H 18 6.979 7.101 -0.122 1
1 64 . 19 1 1 A 18 18 GLU HA H 18 4.421 4.623 -0.202 1
1 69 . 19 1 1 A 18 18 GLU N N 18 113.293 119.904 -6.611 1
1 70 . 19 1 1 A 19 19 GLY H H 19 6.314 9.066 -2.752 1
1 71 . 19 1 1 A 19 19 GLY HA2 H 19 4.306 3.855 0.451 1
1 72 . 19 1 1 A 19 19 GLY HA3 H 19 3.916 3.953 -0.037 1
1 73 . 19 1 1 A 19 19 GLY CA C 19 45.334 46.644 -1.310 1
1 74 . 19 1 1 A 19 19 GLY N N 19 110.212 111.197 -0.985 1
1 75 . 19 1 1 A 20 20 THR H H 20 8.804 8.073 0.731 1
1 76 . 19 1 1 A 20 20 THR HA H 20 4.078 4.455 -0.377 1
1 81 . 19 1 1 A 20 20 THR CA C 20 63.267 64.918 -1.651 1
1 82 . 19 1 1 A 20 20 THR CB C 20 68.097 69.600 -1.503 1
1 84 . 19 1 1 A 20 20 THR N N 20 110.310 111.926 -1.616 1
1 85 . 19 1 1 A 21 21 ASN H H 21 8.752 7.545 1.207 1
1 86 . 19 1 1 A 21 21 ASN HA H 21 4.580 4.932 -0.352 1
1 91 . 19 1 1 A 21 21 ASN CA C 21 52.935 52.001 0.934 1
1 92 . 19 1 1 A 21 21 ASN CB C 21 36.494 39.077 -2.583 1
1 93 . 19 1 1 A 21 21 ASN N N 21 115.437 118.529 -3.092 1
1 95 . 19 1 1 A 22 22 TYR H H 22 6.870 8.320 -1.450 1
1 96 . 19 1 1 A 22 22 TYR HA H 22 4.277 4.247 0.030 1
1 103 . 19 1 1 A 22 22 TYR CA C 22 58.483 59.600 -1.117 1
1 104 . 19 1 1 A 22 22 TYR CB C 22 39.094 37.182 1.912 1
1 109 . 19 1 1 A 22 22 TYR N N 22 118.413 122.847 -4.434 1
1 110 . 19 1 1 A 23 23 ARG H H 23 8.107 7.857 0.250 1
1 111 . 19 1 1 A 23 23 ARG HA H 23 4.135 4.037 0.098 1
1 118 . 19 1 1 A 23 23 ARG CA C 23 56.315 58.154 -1.839 1
1 119 . 19 1 1 A 23 23 ARG CB C 23 30.936 29.851 1.085 1
1 122 . 19 1 1 A 23 23 ARG N N 23 120.620 121.988 -1.368 1
1 123 . 19 1 1 A 24 24 ILE H H 24 8.535 7.332 1.203 1
1 124 . 19 1 1 A 24 24 ILE HA H 24 4.296 3.739 0.557 1
1 134 . 19 1 1 A 24 24 ILE CA C 24 61.695 65.190 -3.495 1
1 135 . 19 1 1 A 24 24 ILE CB C 24 37.876 38.486 -0.610 1
1 139 . 19 1 1 A 24 24 ILE N N 24 121.314 120.118 1.196 1
1 140 . 19 1 1 A 25 25 ILE H H 25 8.995 8.200 0.795 1
1 141 . 19 1 1 A 25 25 ILE HA H 25 4.542 4.191 0.351 1
1 151 . 19 1 1 A 25 25 ILE CA C 25 60.963 62.400 -1.437 1
1 152 . 19 1 1 A 25 25 ILE CB C 25 38.523 38.724 -0.201 1
1 156 . 19 1 1 A 25 25 ILE N N 25 121.558 117.824 3.734 1
1 157 . 19 1 1 A 26 26 GLY H H 26 7.396 7.467 -0.071 1
1 158 . 19 1 1 A 26 26 GLY HA2 H 26 4.140 4.086 0.054 1
1 159 . 19 1 1 A 26 26 GLY HA3 H 26 4.002 4.087 -0.085 1
1 160 . 19 1 1 A 26 26 GLY CA C 26 44.715 43.726 0.989 1
1 161 . 19 1 1 A 26 26 GLY N N 26 108.443 106.513 1.930 1
1 162 . 19 1 1 A 27 27 ALA H H 27 7.996 8.100 -0.104 1
1 163 . 19 1 1 A 27 27 ALA HA H 27 5.211 4.555 0.656 1
1 167 . 19 1 1 A 27 27 ALA CA C 27 50.903 51.613 -0.710 1
1 168 . 19 1 1 A 27 27 ALA CB C 27 21.348 18.778 2.570 1
1 169 . 19 1 1 A 27 27 ALA N N 27 120.625 123.418 -2.793 1
1 170 . 19 1 1 A 29 29 PRO HA H 29 4.952 4.751 0.201 1
1 177 . 19 1 1 A 29 29 PRO CA C 29 50.614 62.449 -11.835 1
1 178 . 19 1 1 A 29 29 PRO CB C 29 26.144 29.278 -3.134 1
1 181 . 19 1 1 A 32 32 GLN H H 32 9.259 8.085 1.174 1
1 182 . 19 1 1 A 32 32 GLN HA H 32 5.443 4.385 1.058 1
1 183 . 19 1 1 A 32 32 GLN CA C 32 55.719 55.026 0.693 1
1 184 . 19 1 1 A 32 32 GLN N N 32 116.392 117.940 -1.548 1
1 185 . 19 1 1 A 34 34 VAL H H 34 8.618 7.731 0.887 1
1 186 . 19 1 1 A 34 34 VAL HA H 34 4.132 4.514 -0.382 1
1 194 . 19 1 1 A 34 34 VAL CA C 34 61.096 60.227 0.869 1
1 195 . 19 1 1 A 34 34 VAL CB C 34 32.009 34.372 -2.363 1
1 198 . 19 1 1 A 34 34 VAL N N 34 122.742 117.985 4.757 1
1 200 . 19 1 1 A 37 37 ILE H H 37 9.258 8.917 0.341 1
1 201 . 19 1 1 A 37 37 ILE HA H 37 3.892 4.219 -0.327 1
1 211 . 19 1 1 A 37 37 ILE CA C 37 63.577 62.272 1.305 1
1 212 . 19 1 1 A 37 37 ILE CB C 37 39.554 38.857 0.697 1
1 216 . 19 1 1 A 37 37 ILE N N 37 129.778 127.994 1.784 1
1 217 . 19 1 1 A 38 38 SER H H 38 7.438 7.579 -0.141 1
1 218 . 19 1 1 A 38 38 SER HA H 38 4.463 4.785 -0.322 1
1 221 . 19 1 1 A 38 38 SER CA C 38 57.098 56.832 0.266 1
1 222 . 19 1 1 A 38 38 SER CB C 38 63.350 65.819 -2.469 1
1 223 . 19 1 1 A 38 38 SER N N 38 109.846 113.477 -3.631 1
1 224 . 19 1 1 A 39 39 GLU H H 39 8.698 8.901 -0.203 1
1 225 . 19 1 1 A 39 39 GLU HA H 39 5.181 5.154 0.027 1
1 230 . 19 1 1 A 39 39 GLU CA C 39 55.046 54.710 0.336 1
1 231 . 19 1 1 A 39 39 GLU CB C 39 32.339 33.293 -0.954 1
1 233 . 19 1 1 A 39 39 GLU N N 39 120.149 123.174 -3.025 1
1 234 . 19 1 1 A 40 40 ASN H H 40 8.802 9.081 -0.279 1
1 235 . 19 1 1 A 40 40 ASN HA H 40 4.774 5.099 -0.325 1
1 240 . 19 1 1 A 40 40 ASN CA C 40 54.054 51.758 2.296 1
1 241 . 19 1 1 A 40 40 ASN CB C 40 41.280 41.348 -0.068 1
1 242 . 19 1 1 A 40 40 ASN N N 40 119.687 123.600 -3.913 1
1 244 . 19 1 1 A 41 41 SER H H 41 9.138 8.711 0.427 1
1 245 . 19 1 1 A 41 41 SER HA H 41 4.054 4.527 -0.473 1
1 248 . 19 1 1 A 41 41 SER CA C 41 58.464 58.225 0.239 1
1 249 . 19 1 1 A 41 41 SER CB C 41 61.911 61.394 0.517 1
1 250 . 19 1 1 A 41 41 SER N N 41 118.754 118.072 0.682 1
1 251 . 19 1 1 A 42 42 GLY H H 42 8.411 8.365 0.046 1
1 252 . 19 1 1 A 42 42 GLY HA2 H 42 4.080 3.660 0.420 1
1 253 . 19 1 1 A 42 42 GLY HA3 H 42 3.419 3.847 -0.428 1
1 254 . 19 1 1 A 42 42 GLY CA C 42 45.042 45.252 -0.210 1
1 255 . 19 1 1 A 42 42 GLY N N 42 105.488 112.379 -6.891 1
1 256 . 19 1 1 A 43 43 TRP H H 43 8.216 7.995 0.221 1
1 257 . 19 1 1 A 43 43 TRP HA H 43 5.046 5.319 -0.273 1
1 266 . 19 1 1 A 43 43 TRP CA C 43 56.182 55.836 0.346 1
1 267 . 19 1 1 A 43 43 TRP CB C 43 32.162 33.472 -1.310 1
1 273 . 19 1 1 A 43 43 TRP N N 43 122.262 121.302 0.960 1
1 275 . 19 1 1 A 44 44 SER H H 44 10.151 9.919 0.232 1
1 276 . 19 1 1 A 44 44 SER HA H 44 5.028 5.038 -0.010 1
1 279 . 19 1 1 A 44 44 SER CA C 44 58.463 57.053 1.410 1
1 280 . 19 1 1 A 44 44 SER CB C 44 64.198 64.079 0.119 1
1 281 . 19 1 1 A 44 44 SER N N 44 122.494 116.757 5.737 1
1 282 . 19 1 1 A 45 45 LYS H H 45 8.905 8.635 0.270 1
1 283 . 19 1 1 A 45 45 LYS HA H 45 4.474 4.949 -0.475 1
1 292 . 19 1 1 A 45 45 LYS CA C 45 55.039 55.800 -0.761 1
1 293 . 19 1 1 A 45 45 LYS CB C 45 33.755 33.623 0.132 1
1 297 . 19 1 1 A 45 45 LYS N N 45 128.116 127.656 0.460 1
1 298 . 19 1 1 A 46 46 ILE H H 46 8.912 8.745 0.167 1
1 299 . 19 1 1 A 46 46 ILE HA H 46 4.974 4.855 0.119 1
1 309 . 19 1 1 A 46 46 ILE CA C 46 58.570 58.529 0.041 1
1 310 . 19 1 1 A 46 46 ILE CB C 46 42.651 41.975 0.676 1
1 314 . 19 1 1 A 46 46 ILE N N 46 119.419 120.920 -1.501 1
1 315 . 19 1 1 A 47 47 ASN H H 47 8.855 8.513 0.342 1
1 316 . 19 1 1 A 47 47 ASN HA H 47 5.016 5.070 -0.054 1
1 321 . 19 1 1 A 47 47 ASN CA C 47 52.281 53.551 -1.270 1
1 322 . 19 1 1 A 47 47 ASN CB C 47 39.208 39.078 0.130 1
1 323 . 19 1 1 A 47 47 ASN N N 47 119.209 120.235 -1.026 1
1 325 . 19 1 1 A 48 48 TYR H H 48 9.147 9.589 -0.442 1
1 326 . 19 1 1 A 48 48 TYR HA H 48 4.647 4.854 -0.207 1
1 333 . 19 1 1 A 48 48 TYR CA C 48 56.347 57.438 -1.091 1
1 334 . 19 1 1 A 48 48 TYR CB C 48 39.210 40.656 -1.446 1
1 339 . 19 1 1 A 48 48 TYR N N 48 126.582 126.433 0.149 1
1 340 . 19 1 1 A 49 49 ASN H H 49 8.807 8.879 -0.072 1
1 341 . 19 1 1 A 49 49 ASN HA H 49 4.110 4.313 -0.203 1
1 346 . 19 1 1 A 49 49 ASN CA C 49 53.309 53.995 -0.686 1
1 347 . 19 1 1 A 49 49 ASN CB C 49 37.118 37.627 -0.509 1
1 348 . 19 1 1 A 49 49 ASN N N 49 125.133 125.931 -0.798 1
1 350 . 19 1 1 A 50 50 GLY H H 50 8.202 8.316 -0.114 1
1 351 . 19 1 1 A 50 50 GLY HA2 H 50 4.149 3.828 0.321 1
1 352 . 19 1 1 A 50 50 GLY HA3 H 50 3.626 3.833 -0.207 1
1 353 . 19 1 1 A 50 50 GLY CA C 50 45.402 45.349 0.053 1
1 354 . 19 1 1 A 50 50 GLY N N 50 104.198 104.419 -0.221 1
1 355 . 19 1 1 A 51 51 GLN H H 51 7.799 7.550 0.249 1
1 356 . 19 1 1 A 51 51 GLN HA H 51 4.651 4.856 -0.205 1
1 363 . 19 1 1 A 51 51 GLN CA C 51 53.530 54.218 -0.688 1
1 364 . 19 1 1 A 51 51 GLN CB C 51 31.653 31.215 0.438 1
1 366 . 19 1 1 A 51 51 GLN N N 51 119.235 116.707 2.528 1
1 368 . 19 1 1 A 52 52 THR H H 52 8.491 8.571 -0.080 1
1 369 . 19 1 1 A 52 52 THR HA H 52 4.546 4.263 0.283 1
1 374 . 19 1 1 A 52 52 THR CA C 52 62.631 63.040 -0.409 1
1 375 . 19 1 1 A 52 52 THR CB C 52 69.224 68.442 0.782 1
1 377 . 19 1 1 A 52 52 THR N N 52 118.279 117.771 0.508 1
1 378 . 19 1 1 A 53 53 GLY H H 53 8.406 8.924 -0.518 1
1 379 . 19 1 1 A 53 53 GLY HA2 H 53 4.588 4.097 0.491 1
1 380 . 19 1 1 A 53 53 GLY HA3 H 53 3.115 4.171 -1.056 1
1 381 . 19 1 1 A 53 53 GLY CA C 53 43.338 43.851 -0.513 1
1 382 . 19 1 1 A 53 53 GLY N N 53 111.718 113.759 -2.041 1
1 383 . 19 1 1 A 54 54 TYR H H 54 8.734 8.457 0.277 1
1 384 . 19 1 1 A 54 54 TYR HA H 54 5.667 5.691 -0.024 1
1 391 . 19 1 1 A 54 54 TYR CA C 54 56.403 56.567 -0.164 1
1 392 . 19 1 1 A 54 54 TYR CB C 54 41.962 43.388 -1.426 1
1 397 . 19 1 1 A 54 54 TYR N N 54 116.106 118.558 -2.452 1
1 398 . 19 1 1 A 55 55 ILE H H 55 9.160 9.113 0.047 1
1 399 . 19 1 1 A 55 55 ILE HA H 55 5.318 4.809 0.509 1
1 409 . 19 1 1 A 55 55 ILE CA C 55 58.471 59.501 -1.030 1
1 410 . 19 1 1 A 55 55 ILE CB C 55 42.618 42.039 0.579 1
1 414 . 19 1 1 A 55 55 ILE N N 55 115.023 116.622 -1.599 1
1 415 . 19 1 1 A 56 56 GLY H H 56 9.066 8.372 0.694 1
1 416 . 19 1 1 A 56 56 GLY HA2 H 56 3.612 4.208 -0.596 1
1 417 . 19 1 1 A 56 56 GLY HA3 H 56 3.164 4.354 -1.190 1
1 418 . 19 1 1 A 56 56 GLY CA C 56 46.091 45.052 1.039 1
1 419 . 19 1 1 A 56 56 GLY N N 56 111.661 109.972 1.689 1
1 420 . 19 1 1 A 57 57 THR H H 57 8.142 9.113 -0.971 1
1 421 . 19 1 1 A 57 57 THR HA H 57 3.436 4.150 -0.714 1
1 426 . 19 1 1 A 57 57 THR CA C 57 65.333 65.555 -0.222 1
1 427 . 19 1 1 A 57 57 THR CB C 57 68.778 68.417 0.361 1
1 429 . 19 1 1 A 57 57 THR N N 57 124.844 114.742 10.102 1
1 430 . 19 1 1 A 58 58 ARG H H 58 8.261 8.020 0.241 1
1 431 . 19 1 1 A 58 58 ARG HA H 58 3.990 4.308 -0.318 1
1 438 . 19 1 1 A 58 58 ARG CA C 58 57.045 58.597 -1.552 1
1 439 . 19 1 1 A 58 58 ARG CB C 58 28.213 31.114 -2.901 1
1 442 . 19 1 1 A 58 58 ARG N N 58 116.486 120.218 -3.732 1
1 443 . 19 1 1 A 59 59 TYR H H 59 7.298 8.089 -0.791 1
1 444 . 19 1 1 A 59 59 TYR HA H 59 4.775 5.514 -0.739 1
1 451 . 19 1 1 A 59 59 TYR CA C 59 53.961 56.304 -2.343 1
1 452 . 19 1 1 A 59 59 TYR CB C 59 38.522 40.201 -1.679 1
1 457 . 19 1 1 A 59 59 TYR N N 59 118.931 116.183 2.748 1
1 458 . 19 1 1 A 60 60 LEU H H 60 7.430 9.322 -1.892 1
1 459 . 19 1 1 A 60 60 LEU HA H 60 5.028 5.063 -0.035 1
1 469 . 19 1 1 A 60 60 LEU CA C 60 52.950 53.842 -0.892 1
1 470 . 19 1 1 A 60 60 LEU CB C 60 44.020 45.762 -1.742 1
1 474 . 19 1 1 A 60 60 LEU N N 60 118.281 125.030 -6.749 1
1 475 . 19 1 1 A 61 61 SER H H 61 8.959 8.555 0.404 1
1 476 . 19 1 1 A 61 61 SER HA H 61 4.894 5.511 -0.617 1
1 479 . 19 1 1 A 61 61 SER CA C 61 56.428 57.305 -0.877 1
1 480 . 19 1 1 A 61 61 SER CB C 61 65.345 63.984 1.361 1
1 481 . 19 1 1 A 61 61 SER N N 61 115.830 118.567 -2.737 1
1 482 . 19 1 1 A 62 62 LYS H H 62 8.872 8.287 0.585 1
1 483 . 19 1 1 A 62 62 LYS HA H 62 3.960 4.830 -0.870 1
1 492 . 19 1 1 A 62 62 LYS CA C 62 57.079 54.832 2.247 1
1 493 . 19 1 1 A 62 62 LYS CB C 62 33.016 34.519 -1.503 1
1 497 . 19 1 1 A 62 62 LYS N N 62 125.311 124.507 0.804 1
1 498 . 19 1 1 A 63 63 LEU H H 63 7.997 8.811 -0.814 1
1 499 . 19 1 1 A 63 63 LEU HA H 63 4.328 4.163 0.165 1
1 509 . 19 1 1 A 63 63 LEU CA C 63 54.323 57.989 -3.666 1
1 510 . 19 1 1 A 63 63 LEU CB C 63 42.672 41.997 0.675 1
1 514 . 19 1 1 A 63 63 LEU N N 63 121.820 126.021 -4.201 1
1 515 . 19 1 1 A 64 64 GLU H H 64 8.274 7.835 0.439 1
1 1 . 20 1 1 A 3 3 GLY H H 3 8.337 7.502 0.835 1
1 2 . 20 1 1 A 3 3 GLY HA2 H 3 4.308 4.135 0.173 1
1 3 . 20 1 1 A 3 3 GLY HA3 H 3 3.880 4.160 -0.280 1
1 4 . 20 1 1 A 3 3 GLY CA C 3 44.714 45.291 -0.577 1
1 5 . 20 1 1 A 4 4 ASP H H 4 8.223 7.991 0.232 1
1 6 . 20 1 1 A 4 4 ASP HA H 4 5.315 4.806 0.509 1
1 9 . 20 1 1 A 4 4 ASP CA C 4 58.458 54.160 4.298 1
1 10 . 20 1 1 A 4 4 ASP CB C 4 41.275 41.911 -0.636 1
1 11 . 20 1 1 A 4 4 ASP N N 4 119.687 120.377 -0.690 1
1 12 . 20 1 1 A 8 8 ASN H H 8 9.232 8.898 0.334 1
1 13 . 20 1 1 A 8 8 ASN HA H 8 5.076 4.230 0.846 1
1 16 . 20 1 1 A 8 8 ASN CA C 8 52.276 55.167 -2.891 1
1 17 . 20 1 1 A 8 8 ASN CB C 8 38.566 36.918 1.648 1
1 18 . 20 1 1 A 8 8 ASN N N 8 129.984 126.316 3.668 1
1 19 . 20 1 1 A 13 13 ASN H H 13 8.616 9.269 -0.653 1
1 20 . 20 1 1 A 13 13 ASN HA H 13 5.024 4.642 0.382 1
1 25 . 20 1 1 A 13 13 ASN CA C 13 52.945 54.737 -1.792 1
1 26 . 20 1 1 A 13 13 ASN CB C 13 39.596 38.645 0.951 1
1 27 . 20 1 1 A 13 13 ASN N N 13 122.544 120.774 1.770 1
1 29 . 20 1 1 A 14 14 VAL H H 14 8.619 7.852 0.767 1
1 30 . 20 1 1 A 14 14 VAL HA H 14 4.133 3.883 0.250 1
1 38 . 20 1 1 A 14 14 VAL CA C 14 61.096 64.241 -3.145 1
1 39 . 20 1 1 A 14 14 VAL CB C 14 32.009 31.526 0.483 1
1 42 . 20 1 1 A 14 14 VAL N N 14 122.742 117.871 4.871 1
1 43 . 20 1 1 A 15 15 ARG H H 15 9.322 7.593 1.729 1
1 44 . 20 1 1 A 15 15 ARG HA H 15 5.514 4.506 1.008 1
1 51 . 20 1 1 A 15 15 ARG CA C 15 53.646 54.583 -0.937 1
1 52 . 20 1 1 A 15 15 ARG CB C 15 34.426 28.729 5.697 1
1 55 . 20 1 1 A 15 15 ARG N N 15 125.781 120.412 5.369 1
1 56 . 20 1 1 A 16 16 SER H H 16 8.730 8.113 0.617 1
1 57 . 20 1 1 A 16 16 SER HA H 16 4.470 4.567 -0.097 1
1 60 . 20 1 1 A 16 16 SER CA C 16 59.017 59.090 -0.073 1
1 61 . 20 1 1 A 16 16 SER CB C 16 19.276 61.112 -41.836 1
1 62 . 20 1 1 A 16 16 SER N N 16 112.631 112.557 0.074 1
1 63 . 20 1 1 A 18 18 GLU H H 18 6.979 7.727 -0.748 1
1 64 . 20 1 1 A 18 18 GLU HA H 18 4.421 4.409 0.012 1
1 69 . 20 1 1 A 18 18 GLU N N 18 113.293 118.813 -5.520 1
1 70 . 20 1 1 A 19 19 GLY H H 19 6.314 8.196 -1.882 1
1 71 . 20 1 1 A 19 19 GLY HA2 H 19 4.306 4.140 0.166 1
1 72 . 20 1 1 A 19 19 GLY HA3 H 19 3.916 4.155 -0.239 1
1 73 . 20 1 1 A 19 19 GLY CA C 19 45.334 45.898 -0.564 1
1 74 . 20 1 1 A 19 19 GLY N N 19 110.212 113.140 -2.928 1
1 75 . 20 1 1 A 20 20 THR H H 20 8.804 7.734 1.070 1
1 76 . 20 1 1 A 20 20 THR HA H 20 4.078 4.020 0.058 1
1 81 . 20 1 1 A 20 20 THR CA C 20 63.267 65.465 -2.198 1
1 82 . 20 1 1 A 20 20 THR CB C 20 68.097 68.862 -0.765 1
1 84 . 20 1 1 A 20 20 THR N N 20 110.310 111.990 -1.680 1
1 85 . 20 1 1 A 21 21 ASN H H 21 8.752 7.806 0.946 1
1 86 . 20 1 1 A 21 21 ASN HA H 21 4.580 4.920 -0.340 1
1 91 . 20 1 1 A 21 21 ASN CA C 21 52.935 51.485 1.450 1
1 92 . 20 1 1 A 21 21 ASN CB C 21 36.494 38.525 -2.031 1
1 93 . 20 1 1 A 21 21 ASN N N 21 115.437 117.902 -2.465 1
1 95 . 20 1 1 A 22 22 TYR H H 22 6.870 8.377 -1.507 1
1 96 . 20 1 1 A 22 22 TYR HA H 22 4.277 5.051 -0.774 1
1 103 . 20 1 1 A 22 22 TYR CA C 22 58.483 57.413 1.070 1
1 104 . 20 1 1 A 22 22 TYR CB C 22 39.094 39.272 -0.178 1
1 109 . 20 1 1 A 22 22 TYR N N 22 118.413 123.161 -4.748 1
1 110 . 20 1 1 A 23 23 ARG H H 23 8.107 7.207 0.900 1
1 111 . 20 1 1 A 23 23 ARG HA H 23 4.135 3.616 0.519 1
1 118 . 20 1 1 A 23 23 ARG CA C 23 56.315 59.094 -2.779 1
1 119 . 20 1 1 A 23 23 ARG CB C 23 30.936 29.915 1.021 1
1 122 . 20 1 1 A 23 23 ARG N N 23 120.620 121.943 -1.323 1
1 123 . 20 1 1 A 24 24 ILE H H 24 8.535 7.916 0.619 1
1 124 . 20 1 1 A 24 24 ILE HA H 24 4.296 4.404 -0.108 1
1 134 . 20 1 1 A 24 24 ILE CA C 24 61.695 61.473 0.222 1
1 135 . 20 1 1 A 24 24 ILE CB C 24 37.876 40.600 -2.724 1
1 139 . 20 1 1 A 24 24 ILE N N 24 121.314 118.569 2.745 1
1 140 . 20 1 1 A 25 25 ILE H H 25 8.995 7.562 1.433 1
1 141 . 20 1 1 A 25 25 ILE HA H 25 4.542 5.199 -0.657 1
1 151 . 20 1 1 A 25 25 ILE CA C 25 60.963 59.081 1.882 1
1 152 . 20 1 1 A 25 25 ILE CB C 25 38.523 40.704 -2.181 1
1 156 . 20 1 1 A 25 25 ILE N N 25 121.558 116.979 4.579 1
1 157 . 20 1 1 A 26 26 GLY H H 26 7.396 8.159 -0.763 1
1 158 . 20 1 1 A 26 26 GLY HA2 H 26 4.140 4.103 0.037 1
1 159 . 20 1 1 A 26 26 GLY HA3 H 26 4.002 4.139 -0.137 1
1 160 . 20 1 1 A 26 26 GLY CA C 26 44.715 46.059 -1.344 1
1 161 . 20 1 1 A 26 26 GLY N N 26 108.443 109.482 -1.039 1
1 162 . 20 1 1 A 27 27 ALA H H 27 7.996 7.944 0.052 1
1 163 . 20 1 1 A 27 27 ALA HA H 27 5.211 4.507 0.704 1
1 167 . 20 1 1 A 27 27 ALA CA C 27 50.903 51.845 -0.942 1
1 168 . 20 1 1 A 27 27 ALA CB C 27 21.348 20.339 1.009 1
1 169 . 20 1 1 A 27 27 ALA N N 27 120.625 124.400 -3.775 1
1 170 . 20 1 1 A 29 29 PRO HA H 29 4.952 4.322 0.630 1
1 177 . 20 1 1 A 29 29 PRO CA C 29 50.614 65.591 -14.977 1
1 178 . 20 1 1 A 29 29 PRO CB C 29 26.144 31.854 -5.710 1
1 181 . 20 1 1 A 32 32 GLN H H 32 9.259 7.856 1.403 1
1 182 . 20 1 1 A 32 32 GLN HA H 32 5.443 4.398 1.045 1
1 183 . 20 1 1 A 32 32 GLN CA C 32 55.719 54.836 0.883 1
1 184 . 20 1 1 A 32 32 GLN N N 32 116.392 121.072 -4.680 1
1 185 . 20 1 1 A 34 34 VAL H H 34 8.618 8.110 0.508 1
1 186 . 20 1 1 A 34 34 VAL HA H 34 4.132 4.112 0.020 1
1 194 . 20 1 1 A 34 34 VAL CA C 34 61.096 63.912 -2.816 1
1 195 . 20 1 1 A 34 34 VAL CB C 34 32.009 33.194 -1.185 1
1 198 . 20 1 1 A 34 34 VAL N N 34 122.742 118.919 3.823 1
1 200 . 20 1 1 A 37 37 ILE H H 37 9.258 9.094 0.164 1
1 201 . 20 1 1 A 37 37 ILE HA H 37 3.892 4.214 -0.322 1
1 211 . 20 1 1 A 37 37 ILE CA C 37 63.577 62.282 1.295 1
1 212 . 20 1 1 A 37 37 ILE CB C 37 39.554 38.803 0.751 1
1 216 . 20 1 1 A 37 37 ILE N N 37 129.778 126.349 3.429 1
1 217 . 20 1 1 A 38 38 SER H H 38 7.438 7.865 -0.427 1
1 218 . 20 1 1 A 38 38 SER HA H 38 4.463 4.884 -0.421 1
1 221 . 20 1 1 A 38 38 SER CA C 38 57.098 57.627 -0.529 1
1 222 . 20 1 1 A 38 38 SER CB C 38 63.350 65.310 -1.960 1
1 223 . 20 1 1 A 38 38 SER N N 38 109.846 112.288 -2.442 1
1 224 . 20 1 1 A 39 39 GLU H H 39 8.698 8.752 -0.054 1
1 225 . 20 1 1 A 39 39 GLU HA H 39 5.181 5.151 0.030 1
1 230 . 20 1 1 A 39 39 GLU CA C 39 55.046 54.829 0.217 1
1 231 . 20 1 1 A 39 39 GLU CB C 39 32.339 33.140 -0.801 1
1 233 . 20 1 1 A 39 39 GLU N N 39 120.149 120.737 -0.588 1
1 234 . 20 1 1 A 40 40 ASN H H 40 8.802 8.778 0.024 1
1 235 . 20 1 1 A 40 40 ASN HA H 40 4.774 5.286 -0.512 1
1 240 . 20 1 1 A 40 40 ASN CA C 40 54.054 51.701 2.353 1
1 241 . 20 1 1 A 40 40 ASN CB C 40 41.280 42.551 -1.271 1
1 242 . 20 1 1 A 40 40 ASN N N 40 119.687 121.136 -1.449 1
1 244 . 20 1 1 A 41 41 SER H H 41 9.138 8.660 0.478 1
1 245 . 20 1 1 A 41 41 SER HA H 41 4.054 4.810 -0.756 1
1 248 . 20 1 1 A 41 41 SER CA C 41 58.464 57.659 0.805 1
1 249 . 20 1 1 A 41 41 SER CB C 41 61.911 61.801 0.110 1
1 250 . 20 1 1 A 41 41 SER N N 41 118.754 118.702 0.052 1
1 251 . 20 1 1 A 42 42 GLY H H 42 8.411 8.135 0.276 1
1 252 . 20 1 1 A 42 42 GLY HA2 H 42 4.080 3.952 0.128 1
1 253 . 20 1 1 A 42 42 GLY HA3 H 42 3.419 4.045 -0.626 1
1 254 . 20 1 1 A 42 42 GLY CA C 42 45.042 45.522 -0.480 1
1 255 . 20 1 1 A 42 42 GLY N N 42 105.488 113.344 -7.856 1
1 256 . 20 1 1 A 43 43 TRP H H 43 8.216 8.057 0.159 1
1 257 . 20 1 1 A 43 43 TRP HA H 43 5.046 5.584 -0.538 1
1 266 . 20 1 1 A 43 43 TRP CA C 43 56.182 55.755 0.427 1
1 267 . 20 1 1 A 43 43 TRP CB C 43 32.162 33.254 -1.092 1
1 273 . 20 1 1 A 43 43 TRP N N 43 122.262 121.691 0.571 1
1 275 . 20 1 1 A 44 44 SER H H 44 10.151 9.554 0.597 1
1 276 . 20 1 1 A 44 44 SER HA H 44 5.028 5.168 -0.140 1
1 279 . 20 1 1 A 44 44 SER CA C 44 58.463 56.651 1.812 1
1 280 . 20 1 1 A 44 44 SER CB C 44 64.198 65.118 -0.920 1
1 281 . 20 1 1 A 44 44 SER N N 44 122.494 117.183 5.311 1
1 282 . 20 1 1 A 45 45 LYS H H 45 8.905 8.544 0.361 1
1 283 . 20 1 1 A 45 45 LYS HA H 45 4.474 4.911 -0.437 1
1 292 . 20 1 1 A 45 45 LYS CA C 45 55.039 56.552 -1.513 1
1 293 . 20 1 1 A 45 45 LYS CB C 45 33.755 33.111 0.644 1
1 297 . 20 1 1 A 45 45 LYS N N 45 128.116 128.818 -0.702 1
1 298 . 20 1 1 A 46 46 ILE H H 46 8.912 8.570 0.342 1
1 299 . 20 1 1 A 46 46 ILE HA H 46 4.974 4.914 0.060 1
1 309 . 20 1 1 A 46 46 ILE CA C 46 58.570 58.670 -0.100 1
1 310 . 20 1 1 A 46 46 ILE CB C 46 42.651 42.325 0.326 1
1 314 . 20 1 1 A 46 46 ILE N N 46 119.419 120.777 -1.358 1
1 315 . 20 1 1 A 47 47 ASN H H 47 8.855 8.861 -0.006 1
1 316 . 20 1 1 A 47 47 ASN HA H 47 5.016 5.573 -0.557 1
1 321 . 20 1 1 A 47 47 ASN CA C 47 52.281 52.002 0.279 1
1 322 . 20 1 1 A 47 47 ASN CB C 47 39.208 40.981 -1.773 1
1 323 . 20 1 1 A 47 47 ASN N N 47 119.209 120.163 -0.954 1
1 325 . 20 1 1 A 48 48 TYR H H 48 9.147 9.239 -0.092 1
1 326 . 20 1 1 A 48 48 TYR HA H 48 4.647 4.820 -0.173 1
1 333 . 20 1 1 A 48 48 TYR CA C 48 56.347 57.537 -1.190 1
1 334 . 20 1 1 A 48 48 TYR CB C 48 39.210 40.748 -1.538 1
1 339 . 20 1 1 A 48 48 TYR N N 48 126.582 125.659 0.923 1
1 340 . 20 1 1 A 49 49 ASN H H 49 8.807 9.085 -0.278 1
1 341 . 20 1 1 A 49 49 ASN HA H 49 4.110 4.269 -0.159 1
1 346 . 20 1 1 A 49 49 ASN CA C 49 53.309 53.889 -0.580 1
1 347 . 20 1 1 A 49 49 ASN CB C 49 37.118 37.415 -0.297 1
1 348 . 20 1 1 A 49 49 ASN N N 49 125.133 126.287 -1.154 1
1 350 . 20 1 1 A 50 50 GLY H H 50 8.202 8.292 -0.090 1
1 351 . 20 1 1 A 50 50 GLY HA2 H 50 4.149 3.816 0.333 1
1 352 . 20 1 1 A 50 50 GLY HA3 H 50 3.626 3.817 -0.191 1
1 353 . 20 1 1 A 50 50 GLY CA C 50 45.402 45.316 0.086 1
1 354 . 20 1 1 A 50 50 GLY N N 50 104.198 104.055 0.143 1
1 355 . 20 1 1 A 51 51 GLN H H 51 7.799 7.749 0.050 1
1 356 . 20 1 1 A 51 51 GLN HA H 51 4.651 4.680 -0.029 1
1 363 . 20 1 1 A 51 51 GLN CA C 51 53.530 54.858 -1.328 1
1 364 . 20 1 1 A 51 51 GLN CB C 51 31.653 30.444 1.209 1
1 366 . 20 1 1 A 51 51 GLN N N 51 119.235 118.753 0.482 1
1 368 . 20 1 1 A 52 52 THR H H 52 8.491 8.534 -0.043 1
1 369 . 20 1 1 A 52 52 THR HA H 52 4.546 4.435 0.111 1
1 374 . 20 1 1 A 52 52 THR CA C 52 62.631 61.615 1.016 1
1 375 . 20 1 1 A 52 52 THR CB C 52 69.224 68.964 0.260 1
1 377 . 20 1 1 A 52 52 THR N N 52 118.279 118.513 -0.234 1
1 378 . 20 1 1 A 53 53 GLY H H 53 8.406 8.527 -0.121 1
1 379 . 20 1 1 A 53 53 GLY HA2 H 53 4.588 4.053 0.535 1
1 380 . 20 1 1 A 53 53 GLY HA3 H 53 3.115 4.134 -1.019 1
1 381 . 20 1 1 A 53 53 GLY CA C 53 43.338 43.656 -0.318 1
1 382 . 20 1 1 A 53 53 GLY N N 53 111.718 113.863 -2.145 1
1 383 . 20 1 1 A 54 54 TYR H H 54 8.734 8.506 0.228 1
1 384 . 20 1 1 A 54 54 TYR HA H 54 5.667 5.219 0.448 1
1 391 . 20 1 1 A 54 54 TYR CA C 54 56.403 56.151 0.252 1
1 392 . 20 1 1 A 54 54 TYR CB C 54 41.962 41.923 0.039 1
1 397 . 20 1 1 A 54 54 TYR N N 54 116.106 120.731 -4.625 1
1 398 . 20 1 1 A 55 55 ILE H H 55 9.160 8.292 0.868 1
1 399 . 20 1 1 A 55 55 ILE HA H 55 5.318 4.707 0.611 1
1 409 . 20 1 1 A 55 55 ILE CA C 55 58.471 59.186 -0.715 1
1 410 . 20 1 1 A 55 55 ILE CB C 55 42.618 41.750 0.868 1
1 414 . 20 1 1 A 55 55 ILE N N 55 115.023 116.848 -1.825 1
1 415 . 20 1 1 A 56 56 GLY H H 56 9.066 8.643 0.423 1
1 416 . 20 1 1 A 56 56 GLY HA2 H 56 3.612 4.205 -0.593 1
1 417 . 20 1 1 A 56 56 GLY HA3 H 56 3.164 4.302 -1.138 1
1 418 . 20 1 1 A 56 56 GLY CA C 56 46.091 45.869 0.222 1
1 419 . 20 1 1 A 56 56 GLY N N 56 111.661 109.605 2.056 1
1 420 . 20 1 1 A 57 57 THR H H 57 8.142 9.009 -0.867 1
1 421 . 20 1 1 A 57 57 THR HA H 57 3.436 4.081 -0.645 1
1 426 . 20 1 1 A 57 57 THR CA C 57 65.333 66.110 -0.777 1
1 427 . 20 1 1 A 57 57 THR CB C 57 68.778 68.696 0.082 1
1 429 . 20 1 1 A 57 57 THR N N 57 124.844 119.899 4.945 1
1 430 . 20 1 1 A 58 58 ARG H H 58 8.261 8.004 0.257 1
1 431 . 20 1 1 A 58 58 ARG HA H 58 3.990 4.230 -0.240 1
1 438 . 20 1 1 A 58 58 ARG CA C 58 57.045 57.791 -0.746 1
1 439 . 20 1 1 A 58 58 ARG CB C 58 28.213 30.342 -2.129 1
1 442 . 20 1 1 A 58 58 ARG N N 58 116.486 117.696 -1.210 1
1 443 . 20 1 1 A 59 59 TYR H H 59 7.298 7.954 -0.656 1
1 444 . 20 1 1 A 59 59 TYR HA H 59 4.775 5.462 -0.687 1
1 451 . 20 1 1 A 59 59 TYR CA C 59 53.961 56.730 -2.769 1
1 452 . 20 1 1 A 59 59 TYR CB C 59 38.522 41.129 -2.607 1
1 457 . 20 1 1 A 59 59 TYR N N 59 118.931 117.893 1.038 1
1 458 . 20 1 1 A 60 60 LEU H H 60 7.430 8.887 -1.457 1
1 459 . 20 1 1 A 60 60 LEU HA H 60 5.028 4.944 0.084 1
1 469 . 20 1 1 A 60 60 LEU CA C 60 52.950 53.563 -0.613 1
1 470 . 20 1 1 A 60 60 LEU CB C 60 44.020 46.932 -2.912 1
1 474 . 20 1 1 A 60 60 LEU N N 60 118.281 125.083 -6.802 1
1 475 . 20 1 1 A 61 61 SER H H 61 8.959 8.917 0.042 1
1 476 . 20 1 1 A 61 61 SER HA H 61 4.894 5.110 -0.216 1
1 479 . 20 1 1 A 61 61 SER CA C 61 56.428 56.614 -0.186 1
1 480 . 20 1 1 A 61 61 SER CB C 61 65.345 64.788 0.557 1
1 481 . 20 1 1 A 61 61 SER N N 61 115.830 116.556 -0.726 1
1 482 . 20 1 1 A 62 62 LYS H H 62 8.872 8.907 -0.035 1
1 483 . 20 1 1 A 62 62 LYS HA H 62 3.960 4.793 -0.833 1
1 492 . 20 1 1 A 62 62 LYS CA C 62 57.079 54.966 2.113 1
1 493 . 20 1 1 A 62 62 LYS CB C 62 33.016 33.148 -0.132 1
1 497 . 20 1 1 A 62 62 LYS N N 62 125.311 127.905 -2.594 1
1 498 . 20 1 1 A 63 63 LEU H H 63 7.997 8.787 -0.790 1
1 499 . 20 1 1 A 63 63 LEU HA H 63 4.328 4.550 -0.222 1
1 509 . 20 1 1 A 63 63 LEU CA C 63 54.323 56.117 -1.794 1
1 510 . 20 1 1 A 63 63 LEU CB C 63 42.672 44.925 -2.253 1
1 514 . 20 1 1 A 63 63 LEU N N 63 121.820 128.529 -6.709 1
1 515 . 20 1 1 A 64 64 GLU H H 64 8.274 8.220 0.054 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 0 0.000 1
2 1 1 1 "RMS(OBS, PRED)" CA 46 2.321 1
3 1 1 1 "RMS(OBS, PRED)" CB 38 7.414 1
4 1 1 1 "RMS(OBS, PRED)" H 47 0.801 1
5 1 1 1 "RMS(OBS, PRED)" HA 54 0.414 1
6 1 1 1 "RMS(OBS, PRED)" N 45 3.442 1
7 1 2 1 "RMS(OBS, PRED)" C 0 0.000 1
8 1 2 1 "RMS(OBS, PRED)" CA 46 2.248 1
9 1 2 1 "RMS(OBS, PRED)" CB 38 7.007 1
10 1 2 1 "RMS(OBS, PRED)" H 47 0.674 1
11 1 2 1 "RMS(OBS, PRED)" HA 54 0.437 1
12 1 2 1 "RMS(OBS, PRED)" N 45 4.526 1
13 1 3 1 "RMS(OBS, PRED)" C 0 0.000 1
14 1 3 1 "RMS(OBS, PRED)" CA 46 2.383 1
15 1 3 1 "RMS(OBS, PRED)" CB 38 7.318 1
16 1 3 1 "RMS(OBS, PRED)" H 47 0.815 1
17 1 3 1 "RMS(OBS, PRED)" HA 54 0.464 1
18 1 3 1 "RMS(OBS, PRED)" N 45 4.152 1
19 1 4 1 "RMS(OBS, PRED)" C 0 0.000 1
20 1 4 1 "RMS(OBS, PRED)" CA 46 2.113 1
21 1 4 1 "RMS(OBS, PRED)" CB 38 7.240 1
22 1 4 1 "RMS(OBS, PRED)" H 47 0.777 1
23 1 4 1 "RMS(OBS, PRED)" HA 54 0.458 1
24 1 4 1 "RMS(OBS, PRED)" N 45 4.477 1
25 1 5 1 "RMS(OBS, PRED)" C 0 0.000 1
26 1 5 1 "RMS(OBS, PRED)" CA 46 2.384 1
27 1 5 1 "RMS(OBS, PRED)" CB 38 7.160 1
28 1 5 1 "RMS(OBS, PRED)" H 47 0.798 1
29 1 5 1 "RMS(OBS, PRED)" HA 54 0.502 1
30 1 5 1 "RMS(OBS, PRED)" N 45 3.621 1
31 1 6 1 "RMS(OBS, PRED)" C 0 0.000 1
32 1 6 1 "RMS(OBS, PRED)" CA 46 2.274 1
33 1 6 1 "RMS(OBS, PRED)" CB 38 7.236 1
34 1 6 1 "RMS(OBS, PRED)" H 47 0.813 1
35 1 6 1 "RMS(OBS, PRED)" HA 54 0.448 1
36 1 6 1 "RMS(OBS, PRED)" N 45 3.873 1
37 1 7 1 "RMS(OBS, PRED)" C 0 0.000 1
38 1 7 1 "RMS(OBS, PRED)" CA 46 2.449 1
39 1 7 1 "RMS(OBS, PRED)" CB 38 7.314 1
40 1 7 1 "RMS(OBS, PRED)" H 47 0.757 1
41 1 7 1 "RMS(OBS, PRED)" HA 54 0.489 1
42 1 7 1 "RMS(OBS, PRED)" N 45 3.458 1
43 1 8 1 "RMS(OBS, PRED)" C 0 0.000 1
44 1 8 1 "RMS(OBS, PRED)" CA 46 2.615 1
45 1 8 1 "RMS(OBS, PRED)" CB 38 7.192 1
46 1 8 1 "RMS(OBS, PRED)" H 47 0.765 1
47 1 8 1 "RMS(OBS, PRED)" HA 54 0.465 1
48 1 8 1 "RMS(OBS, PRED)" N 45 4.083 1
49 1 9 1 "RMS(OBS, PRED)" C 0 0.000 1
50 1 9 1 "RMS(OBS, PRED)" CA 46 2.408 1
51 1 9 1 "RMS(OBS, PRED)" CB 38 7.091 1
52 1 9 1 "RMS(OBS, PRED)" H 47 0.770 1
53 1 9 1 "RMS(OBS, PRED)" HA 54 0.452 1
54 1 9 1 "RMS(OBS, PRED)" N 45 3.843 1
55 1 10 1 "RMS(OBS, PRED)" C 0 0.000 1
56 1 10 1 "RMS(OBS, PRED)" CA 46 2.295 1
57 1 10 1 "RMS(OBS, PRED)" CB 38 7.296 1
58 1 10 1 "RMS(OBS, PRED)" H 47 0.806 1
59 1 10 1 "RMS(OBS, PRED)" HA 54 0.503 1
60 1 10 1 "RMS(OBS, PRED)" N 45 3.737 1
61 1 11 1 "RMS(OBS, PRED)" C 0 0.000 1
62 1 11 1 "RMS(OBS, PRED)" CA 46 2.632 1
63 1 11 1 "RMS(OBS, PRED)" CB 38 7.114 1
64 1 11 1 "RMS(OBS, PRED)" H 47 0.820 1
65 1 11 1 "RMS(OBS, PRED)" HA 54 0.519 1
66 1 11 1 "RMS(OBS, PRED)" N 45 4.367 1
67 1 12 1 "RMS(OBS, PRED)" C 0 0.000 1
68 1 12 1 "RMS(OBS, PRED)" CA 46 2.518 1
69 1 12 1 "RMS(OBS, PRED)" CB 38 7.072 1
70 1 12 1 "RMS(OBS, PRED)" H 47 0.706 1
71 1 12 1 "RMS(OBS, PRED)" HA 54 0.496 1
72 1 12 1 "RMS(OBS, PRED)" N 45 3.392 1
73 1 13 1 "RMS(OBS, PRED)" C 0 0.000 1
74 1 13 1 "RMS(OBS, PRED)" CA 46 2.561 1
75 1 13 1 "RMS(OBS, PRED)" CB 38 7.208 1
76 1 13 1 "RMS(OBS, PRED)" H 47 0.722 1
77 1 13 1 "RMS(OBS, PRED)" HA 54 0.507 1
78 1 13 1 "RMS(OBS, PRED)" N 45 3.763 1
79 1 14 1 "RMS(OBS, PRED)" C 0 0.000 1
80 1 14 1 "RMS(OBS, PRED)" CA 46 2.452 1
81 1 14 1 "RMS(OBS, PRED)" CB 38 7.139 1
82 1 14 1 "RMS(OBS, PRED)" H 47 0.787 1
83 1 14 1 "RMS(OBS, PRED)" HA 54 0.527 1
84 1 14 1 "RMS(OBS, PRED)" N 45 3.033 1
85 1 15 1 "RMS(OBS, PRED)" C 0 0.000 1
86 1 15 1 "RMS(OBS, PRED)" CA 46 2.341 1
87 1 15 1 "RMS(OBS, PRED)" CB 38 7.395 1
88 1 15 1 "RMS(OBS, PRED)" H 47 0.767 1
89 1 15 1 "RMS(OBS, PRED)" HA 54 0.427 1
90 1 15 1 "RMS(OBS, PRED)" N 45 3.601 1
91 1 16 1 "RMS(OBS, PRED)" C 0 0.000 1
92 1 16 1 "RMS(OBS, PRED)" CA 46 2.455 1
93 1 16 1 "RMS(OBS, PRED)" CB 38 7.175 1
94 1 16 1 "RMS(OBS, PRED)" H 47 0.778 1
95 1 16 1 "RMS(OBS, PRED)" HA 54 0.454 1
96 1 16 1 "RMS(OBS, PRED)" N 45 3.757 1
97 1 17 1 "RMS(OBS, PRED)" C 0 0.000 1
98 1 17 1 "RMS(OBS, PRED)" CA 46 2.392 1
99 1 17 1 "RMS(OBS, PRED)" CB 38 7.228 1
100 1 17 1 "RMS(OBS, PRED)" H 47 0.758 1
101 1 17 1 "RMS(OBS, PRED)" HA 54 0.458 1
102 1 17 1 "RMS(OBS, PRED)" N 45 3.085 1
103 1 18 1 "RMS(OBS, PRED)" C 0 0.000 1
104 1 18 1 "RMS(OBS, PRED)" CA 46 2.313 1
105 1 18 1 "RMS(OBS, PRED)" CB 38 7.089 1
106 1 18 1 "RMS(OBS, PRED)" H 47 0.747 1
107 1 18 1 "RMS(OBS, PRED)" HA 54 0.459 1
108 1 18 1 "RMS(OBS, PRED)" N 45 3.634 1
109 1 19 1 "RMS(OBS, PRED)" C 0 0.000 1
110 1 19 1 "RMS(OBS, PRED)" CA 46 2.329 1
111 1 19 1 "RMS(OBS, PRED)" CB 38 7.207 1
112 1 19 1 "RMS(OBS, PRED)" H 47 0.789 1
113 1 19 1 "RMS(OBS, PRED)" HA 54 0.462 1
114 1 19 1 "RMS(OBS, PRED)" N 45 3.507 1
115 1 20 1 "RMS(OBS, PRED)" C 0 0.000 1
116 1 20 1 "RMS(OBS, PRED)" CA 46 2.720 1
117 1 20 1 "RMS(OBS, PRED)" CB 38 7.132 1
118 1 20 1 "RMS(OBS, PRED)" H 47 0.751 1
119 1 20 1 "RMS(OBS, PRED)" HA 54 0.499 1
120 1 20 1 "RMS(OBS, PRED)" N 45 3.362 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 3 3 GLY H H 3 8.337 8.310 0.027 2
1 2 . 1 1 A 3 3 GLY HA2 H 3 4.308 4.053 0.255 2
1 3 . 1 1 A 3 3 GLY HA3 H 3 3.880 4.114 -0.234 2
1 4 . 1 1 A 3 3 GLY CA C 3 44.714 45.647 -0.933 2
1 5 . 1 1 A 4 4 ASP H H 4 8.223 7.984 0.239 2
1 6 . 1 1 A 4 4 ASP HA H 4 5.315 4.622 0.693 2
1 9 . 1 1 A 4 4 ASP CA C 4 58.458 54.620 3.838 2
1 10 . 1 1 A 4 4 ASP CB C 4 41.275 40.828 0.447 2
1 11 . 1 1 A 4 4 ASP N N 4 119.687 119.505 0.182 2
1 12 . 1 1 A 8 8 ASN H H 8 9.232 8.383 0.849 2
1 13 . 1 1 A 8 8 ASN HA H 8 5.076 4.630 0.446 2
1 16 . 1 1 A 8 8 ASN CA C 8 52.276 53.901 -1.625 2
1 17 . 1 1 A 8 8 ASN CB C 8 38.566 37.907 0.659 2
1 18 . 1 1 A 8 8 ASN N N 8 129.984 122.519 7.465 2
1 19 . 1 1 A 13 13 ASN H H 13 8.616 8.397 0.219 2
1 20 . 1 1 A 13 13 ASN HA H 13 5.024 4.816 0.208 2
1 25 . 1 1 A 13 13 ASN CA C 13 52.945 54.839 -1.894 2
1 26 . 1 1 A 13 13 ASN CB C 13 39.596 39.455 0.141 2
1 27 . 1 1 A 13 13 ASN N N 13 122.544 119.650 2.894 2
1 29 . 1 1 A 14 14 VAL H H 14 8.619 7.646 0.972 2
1 30 . 1 1 A 14 14 VAL HA H 14 4.133 4.138 -0.005 2
1 38 . 1 1 A 14 14 VAL CA C 14 61.096 62.936 -1.840 2
1 39 . 1 1 A 14 14 VAL CB C 14 32.009 31.494 0.515 2
1 42 . 1 1 A 14 14 VAL N N 14 122.742 116.946 5.796 2
1 43 . 1 1 A 15 15 ARG H H 15 9.322 7.766 1.556 2
1 44 . 1 1 A 15 15 ARG HA H 15 5.514 4.313 1.201 2
1 51 . 1 1 A 15 15 ARG CA C 15 53.646 56.030 -2.384 2
1 52 . 1 1 A 15 15 ARG CB C 15 34.426 30.290 4.136 2
1 55 . 1 1 A 15 15 ARG N N 15 125.781 122.240 3.541 2
1 56 . 1 1 A 16 16 SER H H 16 8.730 8.408 0.322 2
1 57 . 1 1 A 16 16 SER HA H 16 4.470 4.197 0.273 2
1 60 . 1 1 A 16 16 SER CA C 16 59.017 59.202 -0.185 2
1 61 . 1 1 A 16 16 SER CB C 16 19.276 61.616 -42.340 2
1 62 . 1 1 A 16 16 SER N N 16 112.631 114.126 -1.495 2
1 63 . 1 1 A 18 18 GLU H H 18 6.979 8.276 -1.297 2
1 64 . 1 1 A 18 18 GLU HA H 18 4.421 4.456 -0.035 2
1 69 . 1 1 A 18 18 GLU N N 18 113.293 122.097 -8.804 2
1 70 . 1 1 A 19 19 GLY H H 19 6.314 8.181 -1.867 2
1 71 . 1 1 A 19 19 GLY HA2 H 19 4.306 3.934 0.372 2
1 72 . 1 1 A 19 19 GLY HA3 H 19 3.916 4.038 -0.122 2
1 73 . 1 1 A 19 19 GLY CA C 19 45.334 45.899 -0.565 2
1 74 . 1 1 A 19 19 GLY N N 19 110.212 109.478 0.734 2
1 75 . 1 1 A 20 20 THR H H 20 8.804 8.088 0.716 2
1 76 . 1 1 A 20 20 THR HA H 20 4.078 4.246 -0.168 2
1 81 . 1 1 A 20 20 THR CA C 20 63.267 64.366 -1.099 2
1 82 . 1 1 A 20 20 THR CB C 20 68.097 69.602 -1.505 2
1 84 . 1 1 A 20 20 THR N N 20 110.310 114.059 -3.749 2
1 85 . 1 1 A 21 21 ASN H H 21 8.752 7.782 0.970 2
1 86 . 1 1 A 21 21 ASN HA H 21 4.580 4.806 -0.226 2
1 91 . 1 1 A 21 21 ASN CA C 21 52.935 52.191 0.744 2
1 92 . 1 1 A 21 21 ASN CB C 21 36.494 39.980 -3.486 2
1 93 . 1 1 A 21 21 ASN N N 21 115.437 117.748 -2.311 2
1 95 . 1 1 A 22 22 TYR H H 22 6.870 8.253 -1.383 2
1 96 . 1 1 A 22 22 TYR HA H 22 4.277 4.677 -0.400 2
1 103 . 1 1 A 22 22 TYR CA C 22 58.483 58.321 0.162 2
1 104 . 1 1 A 22 22 TYR CB C 22 39.094 38.935 0.159 2
1 109 . 1 1 A 22 22 TYR N N 22 118.413 122.625 -4.212 2
1 110 . 1 1 A 23 23 ARG H H 23 8.107 7.877 0.230 2
1 111 . 1 1 A 23 23 ARG HA H 23 4.135 4.205 -0.071 2
1 118 . 1 1 A 23 23 ARG CA C 23 56.315 57.674 -1.359 2
1 119 . 1 1 A 23 23 ARG CB C 23 30.936 30.438 0.498 2
1 122 . 1 1 A 23 23 ARG N N 23 120.620 120.340 0.280 2
1 123 . 1 1 A 24 24 ILE H H 24 8.535 7.591 0.944 2
1 124 . 1 1 A 24 24 ILE HA H 24 4.296 3.951 0.345 2
1 134 . 1 1 A 24 24 ILE CA C 24 61.695 63.823 -2.128 2
1 135 . 1 1 A 24 24 ILE CB C 24 37.876 38.394 -0.518 2
1 139 . 1 1 A 24 24 ILE N N 24 121.314 118.171 3.143 2
1 140 . 1 1 A 25 25 ILE H H 25 8.995 7.645 1.350 2
1 141 . 1 1 A 25 25 ILE HA H 25 4.542 4.310 0.232 2
1 151 . 1 1 A 25 25 ILE CA C 25 60.963 60.126 0.837 2
1 152 . 1 1 A 25 25 ILE CB C 25 38.523 40.106 -1.583 2
1 156 . 1 1 A 25 25 ILE N N 25 121.558 119.354 2.204 2
1 157 . 1 1 A 26 26 GLY H H 26 7.396 8.033 -0.637 2
1 158 . 1 1 A 26 26 GLY HA2 H 26 4.140 4.076 0.064 2
1 159 . 1 1 A 26 26 GLY HA3 H 26 4.002 4.102 -0.100 2
1 160 . 1 1 A 26 26 GLY CA C 26 44.715 45.248 -0.533 2
1 161 . 1 1 A 26 26 GLY N N 26 108.443 110.924 -2.481 2
1 162 . 1 1 A 27 27 ALA H H 27 7.996 8.185 -0.189 2
1 163 . 1 1 A 27 27 ALA HA H 27 5.211 4.727 0.484 2
1 167 . 1 1 A 27 27 ALA CA C 27 50.903 51.420 -0.517 2
1 168 . 1 1 A 27 27 ALA CB C 27 21.348 20.118 1.230 2
1 169 . 1 1 A 27 27 ALA N N 27 120.625 123.213 -2.588 2
1 170 . 1 1 A 29 29 PRO HA H 29 4.952 4.669 0.283 2
1 177 . 1 1 A 29 29 PRO CA C 29 50.614 63.055 -12.441 2
1 178 . 1 1 A 29 29 PRO CB C 29 26.144 30.922 -4.778 2
1 181 . 1 1 A 32 32 GLN H H 32 9.259 8.207 1.052 2
1 182 . 1 1 A 32 32 GLN HA H 32 5.443 4.375 1.068 2
1 183 . 1 1 A 32 32 GLN CA C 32 55.719 56.461 -0.742 2
1 184 . 1 1 A 32 32 GLN N N 32 116.392 120.959 -4.567 2
1 185 . 1 1 A 34 34 VAL H H 34 8.618 7.961 0.657 2
1 186 . 1 1 A 34 34 VAL HA H 34 4.132 4.418 -0.286 2
1 194 . 1 1 A 34 34 VAL CA C 34 61.096 62.370 -1.274 2
1 195 . 1 1 A 34 34 VAL CB C 34 32.009 32.577 -0.568 2
1 198 . 1 1 A 34 34 VAL N N 34 122.742 119.676 3.066 2
1 200 . 1 1 A 37 37 ILE H H 37 9.258 8.770 0.488 2
1 201 . 1 1 A 37 37 ILE HA H 37 3.892 4.091 -0.199 2
1 211 . 1 1 A 37 37 ILE CA C 37 63.577 62.914 0.663 2
1 212 . 1 1 A 37 37 ILE CB C 37 39.554 38.560 0.994 2
1 216 . 1 1 A 37 37 ILE N N 37 129.778 128.486 1.292 2
1 217 . 1 1 A 38 38 SER H H 38 7.438 7.553 -0.116 2
1 218 . 1 1 A 38 38 SER HA H 38 4.463 4.753 -0.290 2
1 221 . 1 1 A 38 38 SER CA C 38 57.098 57.460 -0.362 2
1 222 . 1 1 A 38 38 SER CB C 38 63.350 65.766 -2.416 2
1 223 . 1 1 A 38 38 SER N N 38 109.846 112.075 -2.229 2
1 224 . 1 1 A 39 39 GLU H H 39 8.698 8.752 -0.054 2
1 225 . 1 1 A 39 39 GLU HA H 39 5.181 5.250 -0.069 2
1 230 . 1 1 A 39 39 GLU CA C 39 55.046 54.958 0.088 2
1 231 . 1 1 A 39 39 GLU CB C 39 32.339 32.894 -0.555 2
1 233 . 1 1 A 39 39 GLU N N 39 120.149 121.755 -1.606 2
1 234 . 1 1 A 40 40 ASN H H 40 8.802 9.183 -0.381 2
1 235 . 1 1 A 40 40 ASN HA H 40 4.774 5.043 -0.269 2
1 240 . 1 1 A 40 40 ASN CA C 40 54.054 52.623 1.431 2
1 241 . 1 1 A 40 40 ASN CB C 40 41.280 41.248 0.032 2
1 242 . 1 1 A 40 40 ASN N N 40 119.687 121.013 -1.326 2
1 244 . 1 1 A 41 41 SER H H 41 9.138 9.110 0.028 2
1 245 . 1 1 A 41 41 SER HA H 41 4.054 4.238 -0.184 2
1 248 . 1 1 A 41 41 SER CA C 41 58.464 59.143 -0.679 2
1 249 . 1 1 A 41 41 SER CB C 41 61.911 62.174 -0.263 2
1 250 . 1 1 A 41 41 SER N N 41 118.754 119.941 -1.187 2
1 251 . 1 1 A 42 42 GLY H H 42 8.411 8.342 0.069 2
1 252 . 1 1 A 42 42 GLY HA2 H 42 4.080 3.873 0.207 2
1 253 . 1 1 A 42 42 GLY HA3 H 42 3.419 3.981 -0.562 2
1 254 . 1 1 A 42 42 GLY CA C 42 45.042 45.534 -0.492 2
1 255 . 1 1 A 42 42 GLY N N 42 105.488 107.494 -2.006 2
1 256 . 1 1 A 43 43 TRP H H 43 8.216 7.795 0.421 2
1 257 . 1 1 A 43 43 TRP HA H 43 5.046 5.213 -0.167 2
1 266 . 1 1 A 43 43 TRP CA C 43 56.182 56.641 -0.459 2
1 267 . 1 1 A 43 43 TRP CB C 43 32.162 32.071 0.091 2
1 273 . 1 1 A 43 43 TRP N N 43 122.262 121.048 1.214 2
1 275 . 1 1 A 44 44 SER H H 44 10.151 9.475 0.676 2
1 276 . 1 1 A 44 44 SER HA H 44 5.028 5.165 -0.137 2
1 279 . 1 1 A 44 44 SER CA C 44 58.463 57.276 1.187 2
1 280 . 1 1 A 44 44 SER CB C 44 64.198 64.709 -0.511 2
1 281 . 1 1 A 44 44 SER N N 44 122.494 117.577 4.917 2
1 282 . 1 1 A 45 45 LYS H H 45 8.905 8.907 -0.002 2
1 283 . 1 1 A 45 45 LYS HA H 45 4.474 4.679 -0.205 2
1 292 . 1 1 A 45 45 LYS CA C 45 55.039 56.113 -1.074 2
1 293 . 1 1 A 45 45 LYS CB C 45 33.755 33.259 0.496 2
1 297 . 1 1 A 45 45 LYS N N 45 128.116 126.471 1.645 2
1 298 . 1 1 A 46 46 ILE H H 46 8.912 8.729 0.183 2
1 299 . 1 1 A 46 46 ILE HA H 46 4.974 4.973 0.001 2
1 309 . 1 1 A 46 46 ILE CA C 46 58.570 58.535 0.035 2
1 310 . 1 1 A 46 46 ILE CB C 46 42.651 42.261 0.390 2
1 314 . 1 1 A 46 46 ILE N N 46 119.419 120.074 -0.655 2
1 315 . 1 1 A 47 47 ASN H H 47 8.855 8.749 0.105 2
1 316 . 1 1 A 47 47 ASN HA H 47 5.016 5.400 -0.384 2
1 321 . 1 1 A 47 47 ASN CA C 47 52.281 51.753 0.528 2
1 322 . 1 1 A 47 47 ASN CB C 47 39.208 40.613 -1.405 2
1 323 . 1 1 A 47 47 ASN N N 47 119.209 121.075 -1.866 2
1 325 . 1 1 A 48 48 TYR H H 48 9.147 9.216 -0.069 2
1 326 . 1 1 A 48 48 TYR HA H 48 4.647 4.842 -0.195 2
1 333 . 1 1 A 48 48 TYR CA C 48 56.347 57.279 -0.932 2
1 334 . 1 1 A 48 48 TYR CB C 48 39.210 40.205 -0.995 2
1 339 . 1 1 A 48 48 TYR N N 48 126.582 127.515 -0.933 2
1 340 . 1 1 A 49 49 ASN H H 49 8.807 9.143 -0.336 2
1 341 . 1 1 A 49 49 ASN HA H 49 4.110 4.301 -0.191 2
1 346 . 1 1 A 49 49 ASN CA C 49 53.309 54.058 -0.749 2
1 347 . 1 1 A 49 49 ASN CB C 49 37.118 37.387 -0.269 2
1 348 . 1 1 A 49 49 ASN N N 49 125.133 125.732 -0.599 2
1 350 . 1 1 A 50 50 GLY H H 50 8.202 8.221 -0.019 2
1 351 . 1 1 A 50 50 GLY HA2 H 50 4.149 3.818 0.331 2
1 352 . 1 1 A 50 50 GLY HA3 H 50 3.626 3.821 -0.195 2
1 353 . 1 1 A 50 50 GLY CA C 50 45.402 45.340 0.062 2
1 354 . 1 1 A 50 50 GLY N N 50 104.198 104.247 -0.049 2
1 355 . 1 1 A 51 51 GLN H H 51 7.799 7.584 0.215 2
1 356 . 1 1 A 51 51 GLN HA H 51 4.651 4.713 -0.062 2
1 363 . 1 1 A 51 51 GLN CA C 51 53.530 54.554 -1.024 2
1 364 . 1 1 A 51 51 GLN CB C 51 31.653 30.798 0.855 2
1 366 . 1 1 A 51 51 GLN N N 51 119.235 117.878 1.357 2
1 368 . 1 1 A 52 52 THR H H 52 8.491 8.564 -0.073 2
1 369 . 1 1 A 52 52 THR HA H 52 4.546 4.566 -0.020 2
1 374 . 1 1 A 52 52 THR CA C 52 62.631 61.742 0.889 2
1 375 . 1 1 A 52 52 THR CB C 52 69.224 69.340 -0.116 2
1 377 . 1 1 A 52 52 THR N N 52 118.279 118.525 -0.246 2
1 378 . 1 1 A 53 53 GLY H H 53 8.406 8.608 -0.202 2
1 379 . 1 1 A 53 53 GLY HA2 H 53 4.588 4.183 0.405 2
1 380 . 1 1 A 53 53 GLY HA3 H 53 3.115 4.231 -1.116 2
1 381 . 1 1 A 53 53 GLY CA C 53 43.338 44.374 -1.036 2
1 382 . 1 1 A 53 53 GLY N N 53 111.718 113.200 -1.482 2
1 383 . 1 1 A 54 54 TYR H H 54 8.734 8.499 0.235 2
1 384 . 1 1 A 54 54 TYR HA H 54 5.667 5.606 0.061 2
1 391 . 1 1 A 54 54 TYR CA C 54 56.403 56.361 0.042 2
1 392 . 1 1 A 54 54 TYR CB C 54 41.962 43.059 -1.097 2
1 397 . 1 1 A 54 54 TYR N N 54 116.106 119.131 -3.025 2
1 398 . 1 1 A 55 55 ILE H H 55 9.160 8.692 0.468 2
1 399 . 1 1 A 55 55 ILE HA H 55 5.318 4.663 0.655 2
1 409 . 1 1 A 55 55 ILE CA C 55 58.471 59.200 -0.729 2
1 410 . 1 1 A 55 55 ILE CB C 55 42.618 41.698 0.920 2
1 414 . 1 1 A 55 55 ILE N N 55 115.023 116.822 -1.799 2
1 415 . 1 1 A 56 56 GLY H H 56 9.066 8.567 0.499 2
1 416 . 1 1 A 56 56 GLY HA2 H 56 3.612 4.158 -0.546 2
1 417 . 1 1 A 56 56 GLY HA3 H 56 3.164 4.267 -1.103 2
1 418 . 1 1 A 56 56 GLY CA C 56 46.091 45.606 0.485 2
1 419 . 1 1 A 56 56 GLY N N 56 111.661 109.593 2.068 2
1 420 . 1 1 A 57 57 THR H H 57 8.142 8.814 -0.672 2
1 421 . 1 1 A 57 57 THR HA H 57 3.436 4.136 -0.700 2
1 426 . 1 1 A 57 57 THR CA C 57 65.333 65.389 -0.056 2
1 427 . 1 1 A 57 57 THR CB C 57 68.778 68.585 0.193 2
1 429 . 1 1 A 57 57 THR N N 57 124.844 118.918 5.926 2
1 430 . 1 1 A 58 58 ARG H H 58 8.261 8.073 0.188 2
1 431 . 1 1 A 58 58 ARG HA H 58 3.990 4.200 -0.210 2
1 438 . 1 1 A 58 58 ARG CA C 58 57.045 58.652 -1.607 2
1 439 . 1 1 A 58 58 ARG CB C 58 28.213 30.665 -2.452 2
1 442 . 1 1 A 58 58 ARG N N 58 116.486 119.010 -2.524 2
1 443 . 1 1 A 59 59 TYR H H 59 7.298 7.877 -0.579 2
1 444 . 1 1 A 59 59 TYR HA H 59 4.775 5.380 -0.605 2
1 451 . 1 1 A 59 59 TYR CA C 59 53.961 56.728 -2.767 2
1 452 . 1 1 A 59 59 TYR CB C 59 38.522 40.921 -2.399 2
1 457 . 1 1 A 59 59 TYR N N 59 118.931 116.562 2.369 2
1 458 . 1 1 A 60 60 LEU H H 60 7.430 8.935 -1.505 2
1 459 . 1 1 A 60 60 LEU HA H 60 5.028 4.969 0.059 2
1 469 . 1 1 A 60 60 LEU CA C 60 52.950 53.686 -0.736 2
1 470 . 1 1 A 60 60 LEU CB C 60 44.020 46.444 -2.424 2
1 474 . 1 1 A 60 60 LEU N N 60 118.281 124.979 -6.698 2
1 475 . 1 1 A 61 61 SER H H 61 8.959 8.795 0.164 2
1 476 . 1 1 A 61 61 SER HA H 61 4.894 5.106 -0.212 2
1 479 . 1 1 A 61 61 SER CA C 61 56.428 57.253 -0.825 2
1 480 . 1 1 A 61 61 SER CB C 61 65.345 64.674 0.672 2
1 481 . 1 1 A 61 61 SER N N 61 115.830 118.003 -2.173 2
1 482 . 1 1 A 62 62 LYS H H 62 8.872 8.747 0.125 2
1 483 . 1 1 A 62 62 LYS HA H 62 3.960 4.553 -0.593 2
1 492 . 1 1 A 62 62 LYS CA C 62 57.079 55.694 1.385 2
1 493 . 1 1 A 62 62 LYS CB C 62 33.016 34.130 -1.114 2
1 497 . 1 1 A 62 62 LYS N N 62 125.311 126.369 -1.058 2
1 498 . 1 1 A 63 63 LEU H H 63 7.997 8.585 -0.588 2
1 499 . 1 1 A 63 63 LEU HA H 63 4.328 4.300 0.028 2
1 509 . 1 1 A 63 63 LEU CA C 63 54.323 56.294 -1.971 2
1 510 . 1 1 A 63 63 LEU CB C 63 42.672 42.258 0.414 2
1 514 . 1 1 A 63 63 LEU N N 63 121.820 123.888 -2.068 2
1 515 . 1 1 A 64 64 GLU H H 64 8.274 7.946 0.328 2
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