data_16386_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16386
_Entry.PDB_ID 2KL7
_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 2 . 1 1 1 A 2 2 ASP H H 2 8.270 8.205 0.065 1
1 3 . 1 1 1 A 2 2 ASP HA H 2 4.706 4.792 -0.086 1
1 6 . 1 1 1 A 2 2 ASP C C 2 176.240 177.604 -1.364 1
1 7 . 1 1 1 A 2 2 ASP CA C 2 54.448 56.351 -1.903 1
1 8 . 1 1 1 A 2 2 ASP CB C 2 41.396 42.115 -0.719 1
1 9 . 1 1 1 A 2 2 ASP N N 2 116.604 127.075 -10.471 1
1 10 . 1 1 1 A 3 3 VAL H H 3 8.197 7.679 0.518 1
1 11 . 1 1 1 A 3 3 VAL HA H 3 4.090 4.169 -0.079 1
1 19 . 1 1 1 A 3 3 VAL C C 3 175.880 175.920 -0.040 1
1 20 . 1 1 1 A 3 3 VAL CA C 3 62.509 62.958 -0.449 1
1 21 . 1 1 1 A 3 3 VAL CB C 3 32.701 32.687 0.014 1
1 24 . 1 1 1 A 3 3 VAL N N 3 119.871 117.333 2.538 1
1 25 . 1 1 1 A 4 4 ASN H H 4 8.502 7.914 0.588 1
1 26 . 1 1 1 A 4 4 ASN HA H 4 4.700 4.761 -0.061 1
1 31 . 1 1 1 A 4 4 ASN C C 4 175.378 175.431 -0.053 1
1 32 . 1 1 1 A 4 4 ASN CA C 4 53.427 53.502 -0.075 1
1 33 . 1 1 1 A 4 4 ASN CB C 4 39.212 38.990 0.222 1
1 34 . 1 1 1 A 4 4 ASN N N 4 121.932 121.275 0.657 1
1 36 . 1 1 1 A 5 5 GLU H H 5 8.453 9.000 -0.547 1
1 37 . 1 1 1 A 5 5 GLU HA H 5 4.281 4.545 -0.264 1
1 42 . 1 1 1 A 5 5 GLU C C 5 176.502 177.345 -0.843 1
1 43 . 1 1 1 A 5 5 GLU CA C 5 56.925 54.788 2.137 1
1 44 . 1 1 1 A 5 5 GLU CB C 5 30.226 31.513 -1.287 1
1 46 . 1 1 1 A 5 5 GLU N N 5 122.108 120.542 1.566 1
1 47 . 1 1 1 A 6 6 CYS H H 6 8.519 8.581 -0.062 1
1 48 . 1 1 1 A 6 6 CYS HA H 6 4.605 4.774 -0.169 1
1 51 . 1 1 1 A 6 6 CYS C C 6 174.876 174.397 0.479 1
1 52 . 1 1 1 A 6 6 CYS CA C 6 56.068 56.360 -0.292 1
1 53 . 1 1 1 A 6 6 CYS CB C 6 40.544 41.864 -1.320 1
1 54 . 1 1 1 A 6 6 CYS N N 6 119.657 118.860 0.797 1
1 55 . 1 1 1 A 7 7 LEU H H 7 8.372 7.799 0.573 1
1 56 . 1 1 1 A 7 7 LEU HA H 7 4.361 4.572 -0.211 1
1 66 . 1 1 1 A 7 7 LEU C C 7 177.534 176.715 0.819 1
1 67 . 1 1 1 A 7 7 LEU CA C 7 55.778 54.663 1.115 1
1 68 . 1 1 1 A 7 7 LEU CB C 7 42.554 41.829 0.725 1
1 72 . 1 1 1 A 7 7 LEU N N 7 123.198 116.824 6.374 1
1 73 . 1 1 1 A 8 8 THR H H 8 8.018 7.549 0.469 1
1 74 . 1 1 1 A 8 8 THR HA H 8 4.332 4.258 0.074 1
1 79 . 1 1 1 A 8 8 THR C C 8 174.296 174.470 -0.174 1
1 80 . 1 1 1 A 8 8 THR CA C 8 61.745 63.209 -1.464 1
1 81 . 1 1 1 A 8 8 THR CB C 8 69.529 69.453 0.076 1
1 83 . 1 1 1 A 8 8 THR N N 8 113.232 116.469 -3.237 1
1 84 . 1 1 1 A 9 9 ILE H H 9 7.827 8.605 -0.778 1
1 85 . 1 1 1 A 9 9 ILE HA H 9 4.472 4.571 -0.099 1
1 95 . 1 1 1 A 9 9 ILE C C 9 174.443 175.893 -1.450 1
1 96 . 1 1 1 A 9 9 ILE CA C 9 58.355 57.916 0.439 1
1 97 . 1 1 1 A 9 9 ILE CB C 9 38.496 37.743 0.753 1
1 101 . 1 1 1 A 9 9 ILE N N 9 123.285 126.385 -3.100 1
1 102 . 1 1 1 A 10 10 PRO HA H 10 4.351 4.534 -0.183 1
1 109 . 1 1 1 A 10 10 PRO C C 10 177.207 176.329 0.878 1
1 110 . 1 1 1 A 10 10 PRO CA C 10 63.599 62.951 0.648 1
1 111 . 1 1 1 A 10 10 PRO CB C 10 31.965 30.035 1.930 1
1 114 . 1 1 1 A 11 11 GLU H H 11 8.555 8.651 -0.096 1
1 115 . 1 1 1 A 11 11 GLU HA H 11 4.053 4.126 -0.073 1
1 120 . 1 1 1 A 11 11 GLU C C 11 176.353 175.872 0.481 1
1 121 . 1 1 1 A 11 11 GLU CA C 11 56.955 56.846 0.109 1
1 122 . 1 1 1 A 11 11 GLU CB C 11 29.589 29.781 -0.192 1
1 124 . 1 1 1 A 11 11 GLU N N 11 120.562 121.609 -1.047 1
1 125 . 1 1 1 A 12 12 ALA H H 12 8.089 7.525 0.564 1
1 126 . 1 1 1 A 12 12 ALA HA H 12 4.233 4.792 -0.559 1
1 130 . 1 1 1 A 12 12 ALA C C 12 178.135 175.829 2.306 1
1 131 . 1 1 1 A 12 12 ALA CA C 12 53.092 50.342 2.750 1
1 132 . 1 1 1 A 12 12 ALA CB C 12 19.570 22.468 -2.898 1
1 133 . 1 1 1 A 12 12 ALA N N 12 123.927 121.478 2.449 1
1 134 . 1 1 1 A 13 13 CYS H H 13 8.725 8.673 0.052 1
1 135 . 1 1 1 A 13 13 CYS HA H 13 4.816 5.235 -0.419 1
1 138 . 1 1 1 A 13 13 CYS C C 13 175.490 173.149 2.341 1
1 139 . 1 1 1 A 13 13 CYS CA C 13 52.752 54.740 -1.988 1
1 140 . 1 1 1 A 13 13 CYS CB C 13 36.168 43.389 -7.221 1
1 141 . 1 1 1 A 13 13 CYS N N 13 114.120 118.113 -3.993 1
1 142 . 1 1 1 A 14 14 LYS H H 14 8.246 8.662 -0.416 1
1 143 . 1 1 1 A 14 14 LYS HA H 14 4.027 4.107 -0.080 1
1 152 . 1 1 1 A 14 14 LYS C C 14 177.863 177.376 0.487 1
1 153 . 1 1 1 A 14 14 LYS CA C 14 58.289 57.938 0.351 1
1 154 . 1 1 1 A 14 14 LYS CB C 14 31.489 32.684 -1.195 1
1 158 . 1 1 1 A 14 14 LYS N N 14 121.767 126.471 -4.704 1
1 159 . 1 1 1 A 15 15 GLY H H 15 8.979 8.731 0.248 1
1 160 . 1 1 1 A 15 15 GLY HA2 H 15 4.161 3.978 0.183 1
1 161 . 1 1 1 A 15 15 GLY HA3 H 15 3.765 3.978 -0.213 1
1 162 . 1 1 1 A 15 15 GLY C C 15 173.903 173.467 0.436 1
1 163 . 1 1 1 A 15 15 GLY CA C 15 45.603 45.009 0.594 1
1 164 . 1 1 1 A 15 15 GLY N N 15 113.508 114.465 -0.957 1
1 165 . 1 1 1 A 16 16 GLU H H 16 8.027 7.999 0.028 1
1 166 . 1 1 1 A 16 16 GLU HA H 16 4.555 4.908 -0.353 1
1 171 . 1 1 1 A 16 16 GLU C C 16 174.310 175.249 -0.939 1
1 172 . 1 1 1 A 16 16 GLU CA C 16 55.213 54.375 0.838 1
1 173 . 1 1 1 A 16 16 GLU CB C 16 31.839 33.364 -1.525 1
1 175 . 1 1 1 A 16 16 GLU N N 16 120.692 119.704 0.988 1
1 176 . 1 1 1 A 17 17 MET H H 17 8.943 9.034 -0.091 1
1 177 . 1 1 1 A 17 17 MET HA H 17 4.584 5.205 -0.621 1
1 185 . 1 1 1 A 17 17 MET C C 17 173.801 175.392 -1.591 1
1 186 . 1 1 1 A 17 17 MET CA C 17 55.183 54.307 0.876 1
1 187 . 1 1 1 A 17 17 MET CB C 17 34.221 33.410 0.811 1
1 190 . 1 1 1 A 17 17 MET N N 17 120.713 120.606 0.107 1
1 191 . 1 1 1 A 18 18 LYS H H 18 8.789 8.646 0.143 1
1 192 . 1 1 1 A 18 18 LYS HA H 18 5.083 4.678 0.405 1
1 201 . 1 1 1 A 18 18 LYS C C 18 175.138 174.620 0.518 1
1 202 . 1 1 1 A 18 18 LYS CA C 18 55.726 55.605 0.121 1
1 203 . 1 1 1 A 18 18 LYS CB C 18 35.053 33.387 1.666 1
1 207 . 1 1 1 A 18 18 LYS N N 18 127.261 123.095 4.166 1
1 208 . 1 1 1 A 19 19 CYS H H 19 9.132 9.231 -0.099 1
1 209 . 1 1 1 A 19 19 CYS HA H 19 5.273 5.340 -0.067 1
1 212 . 1 1 1 A 19 19 CYS C C 19 174.193 172.995 1.198 1
1 213 . 1 1 1 A 19 19 CYS CA C 19 54.753 54.606 0.147 1
1 214 . 1 1 1 A 19 19 CYS CB C 19 43.915 43.886 0.029 1
1 215 . 1 1 1 A 19 19 CYS N N 19 126.193 125.138 1.055 1
1 216 . 1 1 1 A 20 20 ILE H H 20 10.001 8.953 1.048 1
1 217 . 1 1 1 A 20 20 ILE HA H 20 5.483 5.552 -0.069 1
1 227 . 1 1 1 A 20 20 ILE C C 20 176.355 175.509 0.846 1
1 228 . 1 1 1 A 20 20 ILE CA C 20 59.977 58.885 1.092 1
1 229 . 1 1 1 A 20 20 ILE CB C 20 42.458 42.097 0.361 1
1 233 . 1 1 1 A 20 20 ILE N N 20 119.415 120.189 -0.774 1
1 234 . 1 1 1 A 21 21 ASN H H 21 8.092 8.190 -0.098 1
1 235 . 1 1 1 A 21 21 ASN HA H 21 4.906 5.010 -0.104 1
1 240 . 1 1 1 A 21 21 ASN CA C 21 50.729 51.118 -0.389 1
1 241 . 1 1 1 A 21 21 ASN CB C 21 38.492 38.981 -0.489 1
1 245 . 1 1 1 A 22 22 HIS C C 22 174.724 176.699 -1.975 1
1 250 . 1 1 1 A 23 23 TYR H H 23 7.932 7.671 0.261 1
1 251 . 1 1 1 A 23 23 TYR HA H 23 4.785 4.522 0.263 1
1 258 . 1 1 1 A 23 23 TYR C C 23 176.186 175.727 0.459 1
1 259 . 1 1 1 A 23 23 TYR CA C 23 56.891 58.236 -1.345 1
1 260 . 1 1 1 A 23 23 TYR CB C 23 38.509 38.770 -0.261 1
1 265 . 1 1 1 A 23 23 TYR N N 23 117.160 117.562 -0.402 1
1 266 . 1 1 1 A 24 24 GLY HA2 H 24 4.411 4.093 0.318 1
1 267 . 1 1 1 A 24 24 GLY HA3 H 24 3.674 4.104 -0.430 1
1 268 . 1 1 1 A 24 24 GLY C C 24 174.895 175.089 -0.194 1
1 269 . 1 1 1 A 24 24 GLY CA C 24 45.377 45.164 0.213 1
1 270 . 1 1 1 A 25 25 GLY H H 25 8.418 8.210 0.208 1
1 271 . 1 1 1 A 25 25 GLY HA2 H 25 4.461 4.036 0.425 1
1 272 . 1 1 1 A 25 25 GLY HA3 H 25 3.737 4.086 -0.349 1
1 273 . 1 1 1 A 25 25 GLY C C 25 172.832 172.121 0.711 1
1 274 . 1 1 1 A 25 25 GLY CA C 25 44.602 45.973 -1.371 1
1 275 . 1 1 1 A 25 25 GLY N N 25 110.337 108.317 2.020 1
1 276 . 1 1 1 A 26 26 TYR H H 26 8.256 8.835 -0.579 1
1 277 . 1 1 1 A 26 26 TYR HA H 26 6.053 5.333 0.720 1
1 284 . 1 1 1 A 26 26 TYR C C 26 173.625 174.374 -0.749 1
1 285 . 1 1 1 A 26 26 TYR CA C 26 55.921 56.251 -0.330 1
1 286 . 1 1 1 A 26 26 TYR CB C 26 42.690 41.592 1.098 1
1 291 . 1 1 1 A 26 26 TYR N N 26 116.601 124.910 -8.309 1
1 292 . 1 1 1 A 27 27 LEU H H 27 9.227 8.534 0.693 1
1 293 . 1 1 1 A 27 27 LEU HA H 27 4.437 4.501 -0.064 1
1 303 . 1 1 1 A 27 27 LEU C C 27 175.019 175.111 -0.092 1
1 304 . 1 1 1 A 27 27 LEU CA C 27 53.999 53.218 0.781 1
1 305 . 1 1 1 A 27 27 LEU CB C 27 46.334 45.755 0.579 1
1 309 . 1 1 1 A 27 27 LEU N N 27 121.005 127.234 -6.229 1
1 310 . 1 1 1 A 28 28 CYS H H 28 8.801 8.604 0.197 1
1 311 . 1 1 1 A 28 28 CYS HA H 28 5.730 5.729 0.001 1
1 314 . 1 1 1 A 28 28 CYS C C 28 174.452 172.337 2.115 1
1 315 . 1 1 1 A 28 28 CYS CA C 28 51.978 54.195 -2.217 1
1 316 . 1 1 1 A 28 28 CYS CB C 28 37.734 44.543 -6.809 1
1 317 . 1 1 1 A 28 28 CYS N N 28 120.613 120.385 0.228 1
1 318 . 1 1 1 A 29 29 LEU H H 29 9.371 8.966 0.405 1
1 319 . 1 1 1 A 29 29 LEU HA H 29 4.891 4.687 0.204 1
1 329 . 1 1 1 A 29 29 LEU C C 29 173.339 174.233 -0.894 1
1 330 . 1 1 1 A 29 29 LEU CA C 29 51.743 51.378 0.365 1
1 331 . 1 1 1 A 29 29 LEU CB C 29 44.633 44.794 -0.161 1
1 335 . 1 1 1 A 29 29 LEU N N 29 127.550 126.397 1.153 1
1 336 . 1 1 1 A 30 30 PRO HA H 30 4.478 4.487 -0.009 1
1 343 . 1 1 1 A 30 30 PRO C C 30 177.206 177.780 -0.574 1
1 344 . 1 1 1 A 30 30 PRO CA C 30 62.730 63.401 -0.671 1
1 345 . 1 1 1 A 30 30 PRO CB C 30 31.984 32.329 -0.345 1
1 348 . 1 1 1 A 31 31 ARG H H 31 8.856 8.530 0.326 1
1 349 . 1 1 1 A 31 31 ARG HA H 31 4.189 4.152 0.037 1
1 357 . 1 1 1 A 31 31 ARG C C 31 176.891 177.612 -0.721 1
1 358 . 1 1 1 A 31 31 ARG CA C 31 56.964 57.781 -0.817 1
1 359 . 1 1 1 A 31 31 ARG CB C 31 30.633 30.026 0.607 1
1 362 . 1 1 1 A 31 31 ARG N N 31 121.660 125.315 -3.655 1
1 364 . 1 1 1 A 32 32 SER H H 32 8.318 7.978 0.340 1
1 365 . 1 1 1 A 32 32 SER HA H 32 4.389 4.087 0.302 1
1 368 . 1 1 1 A 32 32 SER C C 32 174.251 174.823 -0.572 1
1 369 . 1 1 1 A 32 32 SER CA C 32 58.238 61.545 -3.307 1
1 370 . 1 1 1 A 32 32 SER CB C 32 63.821 62.943 0.878 1
1 371 . 1 1 1 A 32 32 SER N N 32 116.432 115.111 1.321 1
1 372 . 1 1 1 A 33 33 ALA H H 33 8.353 7.108 1.245 1
1 373 . 1 1 1 A 33 33 ALA HA H 33 4.307 4.428 -0.121 1
1 377 . 1 1 1 A 33 33 ALA C C 33 177.290 176.764 0.526 1
1 378 . 1 1 1 A 33 33 ALA CA C 33 52.515 51.347 1.168 1
1 379 . 1 1 1 A 33 33 ALA CB C 33 19.358 19.719 -0.361 1
1 380 . 1 1 1 A 33 33 ALA N N 33 126.203 122.416 3.787 1
1 381 . 1 1 1 A 34 34 ALA H H 34 8.178 8.640 -0.462 1
1 382 . 1 1 1 A 34 34 ALA HA H 34 4.280 4.755 -0.475 1
1 386 . 1 1 1 A 34 34 ALA C C 34 177.519 176.418 1.101 1
1 387 . 1 1 1 A 34 34 ALA CA C 34 52.480 51.137 1.343 1
1 388 . 1 1 1 A 34 34 ALA CB C 34 19.250 19.822 -0.572 1
1 389 . 1 1 1 A 34 34 ALA N N 34 123.091 126.350 -3.259 1
1 390 . 1 1 1 A 35 35 VAL H H 35 8.083 8.534 -0.451 1
1 391 . 1 1 1 A 35 35 VAL HA H 35 4.060 4.302 -0.242 1
1 399 . 1 1 1 A 35 35 VAL C C 35 176.050 175.610 0.440 1
1 400 . 1 1 1 A 35 35 VAL CA C 35 62.297 61.840 0.457 1
1 401 . 1 1 1 A 35 35 VAL CB C 35 32.695 30.934 1.761 1
1 404 . 1 1 1 A 35 35 VAL N N 35 120.060 120.029 0.031 1
1 405 . 1 1 1 A 36 36 ILE H H 36 8.264 8.144 0.120 1
1 406 . 1 1 1 A 36 36 ILE HA H 36 4.141 4.839 -0.698 1
1 416 . 1 1 1 A 36 36 ILE C C 36 175.848 174.760 1.088 1
1 417 . 1 1 1 A 36 36 ILE CA C 36 60.924 58.837 2.087 1
1 418 . 1 1 1 A 36 36 ILE CB C 36 38.614 40.577 -1.963 1
1 422 . 1 1 1 A 36 36 ILE N N 36 125.147 123.389 1.758 1
1 423 . 1 1 1 A 37 37 ASN H H 37 8.501 8.474 0.027 1
1 424 . 1 1 1 A 37 37 ASN HA H 37 4.702 4.683 0.019 1
1 429 . 1 1 1 A 37 37 ASN C C 37 174.609 174.649 -0.040 1
1 430 . 1 1 1 A 37 37 ASN CA C 37 53.143 52.980 0.163 1
1 431 . 1 1 1 A 37 37 ASN CB C 37 38.957 39.357 -0.400 1
1 432 . 1 1 1 A 37 37 ASN N N 37 123.292 120.787 2.505 1
1 434 . 1 1 1 A 38 38 ASP H H 38 8.326 8.620 -0.294 1
1 435 . 1 1 1 A 38 38 ASP HA H 38 4.562 4.634 -0.072 1
1 438 . 1 1 1 A 38 38 ASP C C 38 176.188 176.371 -0.183 1
1 439 . 1 1 1 A 38 38 ASP CA C 38 54.218 54.772 -0.554 1
1 440 . 1 1 1 A 38 38 ASP CB C 38 41.133 41.290 -0.157 1
1 441 . 1 1 1 A 38 38 ASP N N 38 121.317 123.330 -2.013 1
1 442 . 1 1 1 A 39 39 LEU H H 39 8.188 8.753 -0.565 1
1 443 . 1 1 1 A 39 39 LEU HA H 39 4.242 4.655 -0.413 1
1 453 . 1 1 1 A 39 39 LEU C C 39 177.515 177.381 0.134 1
1 454 . 1 1 1 A 39 39 LEU CA C 39 55.501 53.912 1.589 1
1 455 . 1 1 1 A 39 39 LEU CB C 39 42.030 41.364 0.666 1
1 459 . 1 1 1 A 39 39 LEU N N 39 122.367 123.618 -1.251 1
1 460 . 1 1 1 A 40 40 HIS H H 40 8.418 7.727 0.691 1
1 461 . 1 1 1 A 40 40 HIS HA H 40 4.636 4.399 0.237 1
1 466 . 1 1 1 A 40 40 HIS C C 40 175.495 174.586 0.909 1
1 467 . 1 1 1 A 40 40 HIS CA C 40 55.920 57.496 -1.576 1
1 468 . 1 1 1 A 40 40 HIS CB C 40 29.633 30.340 -0.707 1
1 471 . 1 1 1 A 40 40 HIS N N 40 118.989 118.844 0.145 1
1 474 . 1 1 1 A 41 41 GLY H H 41 8.258 7.212 1.046 1
1 475 . 1 1 1 A 41 41 GLY HA2 H 41 3.969 3.697 0.272 1
1 476 . 1 1 1 A 41 41 GLY HA3 H 41 3.952 3.875 0.077 1
1 477 . 1 1 1 A 41 41 GLY C C 41 174.007 171.737 2.270 1
1 478 . 1 1 1 A 41 41 GLY CA C 41 45.363 45.196 0.167 1
1 479 . 1 1 1 A 41 41 GLY N N 41 109.714 107.012 2.702 1
1 480 . 1 1 1 A 42 42 GLU H H 42 8.406 8.469 -0.063 1
1 481 . 1 1 1 A 42 42 GLU HA H 42 4.378 4.591 -0.213 1
1 486 . 1 1 1 A 42 42 GLU C C 42 176.668 176.549 0.119 1
1 487 . 1 1 1 A 42 42 GLU CA C 42 56.278 54.482 1.796 1
1 488 . 1 1 1 A 42 42 GLU CB C 42 30.473 31.077 -0.604 1
1 490 . 1 1 1 A 42 42 GLU N N 42 120.561 117.912 2.649 1
1 491 . 1 1 1 A 43 43 GLY H H 43 8.284 8.518 -0.234 1
1 492 . 1 1 1 A 43 43 GLY HA2 H 43 4.100 3.872 0.228 1
1 493 . 1 1 1 A 43 43 GLY HA3 H 43 4.099 3.874 0.225 1
1 494 . 1 1 1 A 43 43 GLY C C 43 171.027 174.084 -3.057 1
1 495 . 1 1 1 A 43 43 GLY CA C 43 44.399 46.834 -2.435 1
1 496 . 1 1 1 A 43 43 GLY N N 43 110.014 108.669 1.345 1
1 498 . 1 1 1 A 47 47 PRO C C 47 176.172 176.596 -0.424 1
1 499 . 1 1 1 A 47 47 PRO CB C 47 32.134 31.831 0.303 1
1 500 . 1 1 1 A 48 48 VAL H H 48 8.585 7.848 0.737 1
1 501 . 1 1 1 A 48 48 VAL HA H 48 4.438 4.372 0.066 1
1 508 . 1 1 1 A 48 48 VAL C C 48 174.309 174.257 0.052 1
1 509 . 1 1 1 A 48 48 VAL CA C 48 59.190 59.507 -0.317 1
1 512 . 1 1 1 A 48 48 VAL N N 48 125.965 117.377 8.588 1
1 513 . 1 1 1 A 50 50 PRO HA H 50 4.353 4.390 -0.037 1
1 520 . 1 1 1 A 50 50 PRO C C 50 176.824 176.046 0.778 1
1 521 . 1 1 1 A 50 50 PRO CA C 50 63.194 64.305 -1.111 1
1 522 . 1 1 1 A 50 50 PRO CB C 50 32.006 31.751 0.255 1
1 525 . 1 1 1 A 51 51 ALA H H 51 8.301 7.330 0.971 1
1 526 . 1 1 1 A 51 51 ALA HA H 51 4.241 4.491 -0.250 1
1 530 . 1 1 1 A 51 51 ALA C C 51 177.617 177.348 0.269 1
1 531 . 1 1 1 A 51 51 ALA CA C 51 52.717 51.579 1.138 1
1 532 . 1 1 1 A 51 51 ALA CB C 51 19.211 20.025 -0.814 1
1 533 . 1 1 1 A 51 51 ALA N N 51 122.996 118.941 4.055 1
1 534 . 1 1 1 A 52 52 GLN H H 52 8.165 8.486 -0.321 1
1 535 . 1 1 1 A 52 52 GLN HA H 52 4.266 4.329 -0.063 1
1 542 . 1 1 1 A 52 52 GLN C C 52 175.394 175.985 -0.591 1
1 543 . 1 1 1 A 52 52 GLN CA C 52 55.582 58.017 -2.435 1
1 544 . 1 1 1 A 52 52 GLN CB C 52 29.636 29.862 -0.226 1
1 546 . 1 1 1 A 52 52 GLN N N 52 118.178 122.282 -4.104 1
1 548 . 1 1 1 A 53 53 HIS H H 53 8.395 7.967 0.428 1
1 549 . 1 1 1 A 53 53 HIS HA H 53 4.872 4.968 -0.096 1
1 554 . 1 1 1 A 53 53 HIS C C 53 173.260 174.506 -1.246 1
1 555 . 1 1 1 A 53 53 HIS CA C 53 54.036 53.359 0.677 1
1 556 . 1 1 1 A 53 53 HIS CB C 53 29.841 31.670 -1.829 1
1 559 . 1 1 1 A 53 53 HIS N N 53 121.522 116.982 4.540 1
1 562 . 1 1 1 A 54 54 PRO HA H 54 4.547 4.280 0.267 1
1 569 . 1 1 1 A 54 54 PRO C C 54 176.605 176.974 -0.369 1
1 570 . 1 1 1 A 54 54 PRO CA C 54 62.997 65.052 -2.055 1
1 571 . 1 1 1 A 54 54 PRO CB C 54 32.349 31.829 0.520 1
1 574 . 1 1 1 A 55 55 ASN H H 55 8.646 8.147 0.499 1
1 575 . 1 1 1 A 55 55 ASN HA H 55 4.969 4.449 0.520 1
1 580 . 1 1 1 A 55 55 ASN C C 55 171.312 175.934 -4.622 1
1 581 . 1 1 1 A 55 55 ASN CA C 55 50.412 53.613 -3.201 1
1 582 . 1 1 1 A 55 55 ASN CB C 55 39.150 36.895 2.255 1
1 583 . 1 1 1 A 55 55 ASN N N 55 119.583 113.902 5.681 1
1 585 . 1 1 1 A 56 56 PRO HA H 56 4.400 4.395 0.005 1
1 592 . 1 1 1 A 56 56 PRO C C 56 176.686 176.433 0.253 1
1 593 . 1 1 1 A 56 56 PRO CA C 56 63.273 64.394 -1.121 1
1 594 . 1 1 1 A 56 56 PRO CB C 56 31.783 31.440 0.343 1
1 597 . 1 1 1 A 57 57 CYS H H 57 7.831 8.059 -0.228 1
1 598 . 1 1 1 A 57 57 CYS HA H 57 4.443 4.667 -0.224 1
1 601 . 1 1 1 A 57 57 CYS C C 57 173.881 172.131 1.750 1
1 602 . 1 1 1 A 57 57 CYS CA C 57 59.103 55.667 3.436 1
1 603 . 1 1 1 A 57 57 CYS CB C 57 32.909 42.960 -10.051 1
1 604 . 1 1 1 A 57 57 CYS N N 57 119.502 118.008 1.494 1
1 605 . 1 1 1 A 59 59 PRO HA H 59 4.385 4.301 0.084 1
1 612 . 1 1 1 A 59 59 PRO C C 59 177.996 177.395 0.601 1
1 613 . 1 1 1 A 59 59 PRO CA C 59 64.249 63.953 0.296 1
1 614 . 1 1 1 A 59 59 PRO CB C 59 31.776 31.571 0.205 1
1 617 . 1 1 1 A 60 60 GLY H H 60 8.761 8.926 -0.165 1
1 618 . 1 1 1 A 60 60 GLY HA2 H 60 4.302 3.888 0.414 1
1 619 . 1 1 1 A 60 60 GLY HA3 H 60 3.619 3.966 -0.347 1
1 620 . 1 1 1 A 60 60 GLY C C 60 173.861 173.680 0.181 1
1 621 . 1 1 1 A 60 60 GLY CA C 60 44.888 45.270 -0.382 1
1 622 . 1 1 1 A 60 60 GLY N N 60 112.485 112.712 -0.227 1
1 623 . 1 1 1 A 61 61 TYR H H 61 8.522 8.071 0.451 1
1 624 . 1 1 1 A 61 61 TYR HA H 61 5.083 4.607 0.476 1
1 631 . 1 1 1 A 61 61 TYR C C 61 174.910 175.233 -0.323 1
1 632 . 1 1 1 A 61 61 TYR CA C 61 56.152 57.480 -1.328 1
1 633 . 1 1 1 A 61 61 TYR CB C 61 42.124 38.682 3.442 1
1 638 . 1 1 1 A 61 61 TYR N N 61 118.801 120.161 -1.360 1
1 639 . 1 1 1 A 62 62 GLU H H 62 9.129 8.627 0.502 1
1 640 . 1 1 1 A 62 62 GLU HA H 62 4.962 4.756 0.206 1
1 645 . 1 1 1 A 62 62 GLU C C 62 173.115 175.301 -2.186 1
1 646 . 1 1 1 A 62 62 GLU CA C 62 53.654 54.574 -0.920 1
1 647 . 1 1 1 A 62 62 GLU CB C 62 31.928 30.551 1.377 1
1 649 . 1 1 1 A 62 62 GLU N N 62 118.016 124.719 -6.703 1
1 650 . 1 1 1 A 63 63 PRO HA H 63 4.743 4.653 0.090 1
1 657 . 1 1 1 A 63 63 PRO C C 63 177.040 175.737 1.303 1
1 658 . 1 1 1 A 63 63 PRO CA C 63 63.759 62.842 0.917 1
1 659 . 1 1 1 A 63 63 PRO CB C 63 32.352 31.937 0.415 1
1 662 . 1 1 1 A 64 64 ASP H H 64 8.595 8.916 -0.321 1
1 663 . 1 1 1 A 64 64 ASP HA H 64 4.679 4.977 -0.298 1
1 666 . 1 1 1 A 64 64 ASP C C 64 175.960 175.494 0.466 1
1 667 . 1 1 1 A 64 64 ASP CA C 64 53.790 53.299 0.491 1
1 668 . 1 1 1 A 64 64 ASP CB C 64 42.611 43.121 -0.510 1
1 669 . 1 1 1 A 64 64 ASP N N 64 122.807 122.334 0.473 1
1 670 . 1 1 1 A 65 65 ASP H H 65 8.437 8.723 -0.286 1
1 671 . 1 1 1 A 65 65 ASP HA H 65 4.701 4.850 -0.149 1
1 674 . 1 1 1 A 65 65 ASP C C 65 176.412 175.509 0.903 1
1 675 . 1 1 1 A 65 65 ASP CA C 65 54.043 54.348 -0.305 1
1 676 . 1 1 1 A 65 65 ASP CB C 65 41.279 41.279 0.000 1
1 677 . 1 1 1 A 65 65 ASP N N 65 124.473 124.726 -0.253 1
1 678 . 1 1 1 A 66 66 GLN H H 66 8.316 8.622 -0.306 1
1 679 . 1 1 1 A 66 66 GLN HA H 66 4.290 4.731 -0.441 1
1 686 . 1 1 1 A 66 66 GLN C C 66 175.877 174.041 1.836 1
1 687 . 1 1 1 A 66 66 GLN CA C 66 55.992 55.108 0.884 1
1 688 . 1 1 1 A 66 66 GLN CB C 66 29.565 29.272 0.293 1
1 690 . 1 1 1 A 66 66 GLN N N 66 120.317 124.546 -4.229 1
1 692 . 1 1 1 A 67 67 ASP H H 67 8.438 9.035 -0.597 1
1 693 . 1 1 1 A 67 67 ASP HA H 67 4.619 5.283 -0.664 1
1 696 . 1 1 1 A 67 67 ASP C C 67 176.300 174.229 2.071 1
1 697 . 1 1 1 A 67 67 ASP CA C 67 54.535 52.708 1.827 1
1 698 . 1 1 1 A 67 67 ASP CB C 67 41.210 42.451 -1.241 1
1 699 . 1 1 1 A 67 67 ASP N N 67 121.942 126.659 -4.717 1
1 700 . 1 1 1 A 68 68 SER H H 68 8.274 8.798 -0.524 1
1 701 . 1 1 1 A 68 68 SER HA H 68 4.476 4.915 -0.439 1
1 704 . 1 1 1 A 68 68 SER C C 68 174.516 174.539 -0.023 1
1 705 . 1 1 1 A 68 68 SER CA C 68 58.615 56.017 2.598 1
1 706 . 1 1 1 A 68 68 SER CB C 68 63.911 64.629 -0.718 1
1 707 . 1 1 1 A 68 68 SER N N 68 116.099 121.024 -4.925 1
1 708 . 1 1 1 A 69 69 CYS H H 69 8.589 8.625 -0.036 1
1 709 . 1 1 1 A 69 69 CYS HA H 69 4.719 4.687 0.032 1
1 712 . 1 1 1 A 69 69 CYS C C 69 174.437 173.753 0.684 1
1 713 . 1 1 1 A 69 69 CYS CA C 69 55.620 56.574 -0.954 1
1 714 . 1 1 1 A 69 69 CYS CB C 69 40.727 43.260 -2.533 1
1 715 . 1 1 1 A 69 69 CYS N N 69 120.951 122.296 -1.345 1
1 716 . 1 1 1 A 70 70 VAL H H 70 8.150 7.370 0.780 1
1 717 . 1 1 1 A 70 70 VAL HA H 70 4.193 4.292 -0.099 1
1 725 . 1 1 1 A 70 70 VAL C C 70 174.771 173.203 1.568 1
1 726 . 1 1 1 A 70 70 VAL CA C 70 62.021 60.585 1.436 1
1 727 . 1 1 1 A 70 70 VAL CB C 70 33.168 34.014 -0.846 1
1 730 . 1 1 1 A 70 70 VAL N N 70 120.979 119.651 1.328 1
1 2 . 2 1 1 A 2 2 ASP H H 2 8.270 8.155 0.115 1
1 3 . 2 1 1 A 2 2 ASP HA H 2 4.706 4.912 -0.206 1
1 6 . 2 1 1 A 2 2 ASP C C 2 176.240 177.066 -0.826 1
1 7 . 2 1 1 A 2 2 ASP CA C 2 54.448 54.807 -0.359 1
1 8 . 2 1 1 A 2 2 ASP CB C 2 41.396 41.719 -0.323 1
1 9 . 2 1 1 A 2 2 ASP N N 2 116.604 119.840 -3.236 1
1 10 . 2 1 1 A 3 3 VAL H H 3 8.197 7.874 0.323 1
1 11 . 2 1 1 A 3 3 VAL HA H 3 4.090 3.982 0.108 1
1 19 . 2 1 1 A 3 3 VAL C C 3 175.880 175.809 0.071 1
1 20 . 2 1 1 A 3 3 VAL CA C 3 62.509 64.654 -2.145 1
1 21 . 2 1 1 A 3 3 VAL CB C 3 32.701 31.758 0.943 1
1 24 . 2 1 1 A 3 3 VAL N N 3 119.871 118.089 1.782 1
1 25 . 2 1 1 A 4 4 ASN H H 4 8.502 7.646 0.856 1
1 26 . 2 1 1 A 4 4 ASN HA H 4 4.700 4.856 -0.156 1
1 31 . 2 1 1 A 4 4 ASN C C 4 175.378 175.083 0.295 1
1 32 . 2 1 1 A 4 4 ASN CA C 4 53.427 52.144 1.283 1
1 33 . 2 1 1 A 4 4 ASN CB C 4 39.212 40.566 -1.354 1
1 34 . 2 1 1 A 4 4 ASN N N 4 121.932 121.278 0.654 1
1 36 . 2 1 1 A 5 5 GLU H H 5 8.453 8.757 -0.304 1
1 37 . 2 1 1 A 5 5 GLU HA H 5 4.281 4.544 -0.263 1
1 42 . 2 1 1 A 5 5 GLU C C 5 176.502 177.713 -1.211 1
1 43 . 2 1 1 A 5 5 GLU CA C 5 56.925 55.172 1.753 1
1 44 . 2 1 1 A 5 5 GLU CB C 5 30.226 31.402 -1.176 1
1 46 . 2 1 1 A 5 5 GLU N N 5 122.108 120.523 1.585 1
1 47 . 2 1 1 A 6 6 CYS H H 6 8.519 8.609 -0.090 1
1 48 . 2 1 1 A 6 6 CYS HA H 6 4.605 4.656 -0.051 1
1 51 . 2 1 1 A 6 6 CYS C C 6 174.876 174.671 0.205 1
1 52 . 2 1 1 A 6 6 CYS CA C 6 56.068 56.592 -0.524 1
1 53 . 2 1 1 A 6 6 CYS CB C 6 40.544 42.388 -1.844 1
1 54 . 2 1 1 A 6 6 CYS N N 6 119.657 120.185 -0.528 1
1 55 . 2 1 1 A 7 7 LEU H H 7 8.372 7.794 0.578 1
1 56 . 2 1 1 A 7 7 LEU HA H 7 4.361 4.154 0.207 1
1 66 . 2 1 1 A 7 7 LEU C C 7 177.534 176.693 0.841 1
1 67 . 2 1 1 A 7 7 LEU CA C 7 55.778 56.411 -0.633 1
1 68 . 2 1 1 A 7 7 LEU CB C 7 42.554 42.100 0.454 1
1 72 . 2 1 1 A 7 7 LEU N N 7 123.198 118.453 4.745 1
1 73 . 2 1 1 A 8 8 THR H H 8 8.018 7.640 0.378 1
1 74 . 2 1 1 A 8 8 THR HA H 8 4.332 4.351 -0.019 1
1 79 . 2 1 1 A 8 8 THR C C 8 174.296 174.413 -0.117 1
1 80 . 2 1 1 A 8 8 THR CA C 8 61.745 61.495 0.250 1
1 81 . 2 1 1 A 8 8 THR CB C 8 69.529 70.240 -0.711 1
1 83 . 2 1 1 A 8 8 THR N N 8 113.232 116.181 -2.949 1
1 84 . 2 1 1 A 9 9 ILE H H 9 7.827 8.636 -0.809 1
1 85 . 2 1 1 A 9 9 ILE HA H 9 4.472 4.364 0.108 1
1 95 . 2 1 1 A 9 9 ILE C C 9 174.443 174.448 -0.005 1
1 96 . 2 1 1 A 9 9 ILE CA C 9 58.355 59.748 -1.393 1
1 97 . 2 1 1 A 9 9 ILE CB C 9 38.496 38.309 0.187 1
1 101 . 2 1 1 A 9 9 ILE N N 9 123.285 124.920 -1.635 1
1 102 . 2 1 1 A 10 10 PRO HA H 10 4.351 4.422 -0.071 1
1 109 . 2 1 1 A 10 10 PRO C C 10 177.207 177.428 -0.221 1
1 110 . 2 1 1 A 10 10 PRO CA C 10 63.599 63.363 0.236 1
1 111 . 2 1 1 A 10 10 PRO CB C 10 31.965 31.873 0.092 1
1 114 . 2 1 1 A 11 11 GLU H H 11 8.555 9.026 -0.471 1
1 115 . 2 1 1 A 11 11 GLU HA H 11 4.053 4.353 -0.300 1
1 120 . 2 1 1 A 11 11 GLU C C 11 176.353 176.290 0.063 1
1 121 . 2 1 1 A 11 11 GLU CA C 11 56.955 56.732 0.223 1
1 122 . 2 1 1 A 11 11 GLU CB C 11 29.589 30.333 -0.744 1
1 124 . 2 1 1 A 11 11 GLU N N 11 120.562 121.177 -0.615 1
1 125 . 2 1 1 A 12 12 ALA H H 12 8.089 7.632 0.457 1
1 126 . 2 1 1 A 12 12 ALA HA H 12 4.233 4.892 -0.659 1
1 130 . 2 1 1 A 12 12 ALA C C 12 178.135 175.605 2.530 1
1 131 . 2 1 1 A 12 12 ALA CA C 12 53.092 51.170 1.922 1
1 132 . 2 1 1 A 12 12 ALA CB C 12 19.570 23.540 -3.970 1
1 133 . 2 1 1 A 12 12 ALA N N 12 123.927 119.966 3.961 1
1 134 . 2 1 1 A 13 13 CYS H H 13 8.725 8.577 0.148 1
1 135 . 2 1 1 A 13 13 CYS HA H 13 4.816 5.224 -0.408 1
1 138 . 2 1 1 A 13 13 CYS C C 13 175.490 173.216 2.274 1
1 139 . 2 1 1 A 13 13 CYS CA C 13 52.752 54.570 -1.818 1
1 140 . 2 1 1 A 13 13 CYS CB C 13 36.168 43.401 -7.233 1
1 141 . 2 1 1 A 13 13 CYS N N 13 114.120 117.246 -3.126 1
1 142 . 2 1 1 A 14 14 LYS H H 14 8.246 8.656 -0.410 1
1 143 . 2 1 1 A 14 14 LYS HA H 14 4.027 4.032 -0.005 1
1 152 . 2 1 1 A 14 14 LYS C C 14 177.863 177.588 0.275 1
1 153 . 2 1 1 A 14 14 LYS CA C 14 58.289 58.038 0.251 1
1 154 . 2 1 1 A 14 14 LYS CB C 14 31.489 32.345 -0.856 1
1 158 . 2 1 1 A 14 14 LYS N N 14 121.767 125.916 -4.149 1
1 159 . 2 1 1 A 15 15 GLY H H 15 8.979 8.691 0.288 1
1 160 . 2 1 1 A 15 15 GLY HA2 H 15 4.161 3.910 0.251 1
1 161 . 2 1 1 A 15 15 GLY HA3 H 15 3.765 3.910 -0.145 1
1 162 . 2 1 1 A 15 15 GLY C C 15 173.903 173.510 0.393 1
1 163 . 2 1 1 A 15 15 GLY CA C 15 45.603 45.577 0.026 1
1 164 . 2 1 1 A 15 15 GLY N N 15 113.508 114.358 -0.850 1
1 165 . 2 1 1 A 16 16 GLU H H 16 8.027 7.566 0.461 1
1 166 . 2 1 1 A 16 16 GLU HA H 16 4.555 4.836 -0.281 1
1 171 . 2 1 1 A 16 16 GLU C C 16 174.310 175.157 -0.847 1
1 172 . 2 1 1 A 16 16 GLU CA C 16 55.213 54.510 0.703 1
1 173 . 2 1 1 A 16 16 GLU CB C 16 31.839 33.530 -1.691 1
1 175 . 2 1 1 A 16 16 GLU N N 16 120.692 119.414 1.278 1
1 176 . 2 1 1 A 17 17 MET H H 17 8.943 8.939 0.004 1
1 177 . 2 1 1 A 17 17 MET HA H 17 4.584 5.004 -0.420 1
1 185 . 2 1 1 A 17 17 MET C C 17 173.801 174.986 -1.185 1
1 186 . 2 1 1 A 17 17 MET CA C 17 55.183 54.192 0.991 1
1 187 . 2 1 1 A 17 17 MET CB C 17 34.221 33.014 1.207 1
1 190 . 2 1 1 A 17 17 MET N N 17 120.713 120.298 0.415 1
1 191 . 2 1 1 A 18 18 LYS H H 18 8.789 8.576 0.213 1
1 192 . 2 1 1 A 18 18 LYS HA H 18 5.083 4.592 0.491 1
1 201 . 2 1 1 A 18 18 LYS C C 18 175.138 174.562 0.576 1
1 202 . 2 1 1 A 18 18 LYS CA C 18 55.726 55.444 0.282 1
1 203 . 2 1 1 A 18 18 LYS CB C 18 35.053 33.173 1.880 1
1 207 . 2 1 1 A 18 18 LYS N N 18 127.261 123.543 3.718 1
1 208 . 2 1 1 A 19 19 CYS H H 19 9.132 9.198 -0.066 1
1 209 . 2 1 1 A 19 19 CYS HA H 19 5.273 5.432 -0.159 1
1 212 . 2 1 1 A 19 19 CYS C C 19 174.193 173.146 1.047 1
1 213 . 2 1 1 A 19 19 CYS CA C 19 54.753 54.536 0.217 1
1 214 . 2 1 1 A 19 19 CYS CB C 19 43.915 43.557 0.358 1
1 215 . 2 1 1 A 19 19 CYS N N 19 126.193 125.290 0.903 1
1 216 . 2 1 1 A 20 20 ILE H H 20 10.001 8.808 1.193 1
1 217 . 2 1 1 A 20 20 ILE HA H 20 5.483 5.842 -0.359 1
1 227 . 2 1 1 A 20 20 ILE C C 20 176.355 174.610 1.745 1
1 228 . 2 1 1 A 20 20 ILE CA C 20 59.977 59.123 0.854 1
1 229 . 2 1 1 A 20 20 ILE CB C 20 42.458 42.198 0.260 1
1 233 . 2 1 1 A 20 20 ILE N N 20 119.415 120.051 -0.636 1
1 234 . 2 1 1 A 21 21 ASN H H 21 8.092 8.126 -0.034 1
1 235 . 2 1 1 A 21 21 ASN HA H 21 4.906 5.076 -0.170 1
1 240 . 2 1 1 A 21 21 ASN CA C 21 50.729 50.996 -0.267 1
1 241 . 2 1 1 A 21 21 ASN CB C 21 38.492 40.799 -2.307 1
1 245 . 2 1 1 A 22 22 HIS C C 22 174.724 177.174 -2.450 1
1 250 . 2 1 1 A 23 23 TYR H H 23 7.932 8.028 -0.096 1
1 251 . 2 1 1 A 23 23 TYR HA H 23 4.785 4.370 0.415 1
1 258 . 2 1 1 A 23 23 TYR C C 23 176.186 175.869 0.317 1
1 259 . 2 1 1 A 23 23 TYR CA C 23 56.891 60.630 -3.739 1
1 260 . 2 1 1 A 23 23 TYR CB C 23 38.509 39.008 -0.499 1
1 265 . 2 1 1 A 23 23 TYR N N 23 117.160 119.932 -2.772 1
1 266 . 2 1 1 A 24 24 GLY HA2 H 24 4.411 3.975 0.436 1
1 267 . 2 1 1 A 24 24 GLY HA3 H 24 3.674 4.036 -0.362 1
1 268 . 2 1 1 A 24 24 GLY C C 24 174.895 174.922 -0.027 1
1 269 . 2 1 1 A 24 24 GLY CA C 24 45.377 45.015 0.362 1
1 270 . 2 1 1 A 25 25 GLY H H 25 8.418 8.390 0.028 1
1 271 . 2 1 1 A 25 25 GLY HA2 H 25 4.461 4.094 0.367 1
1 272 . 2 1 1 A 25 25 GLY HA3 H 25 3.737 4.196 -0.459 1
1 273 . 2 1 1 A 25 25 GLY C C 25 172.832 171.779 1.053 1
1 274 . 2 1 1 A 25 25 GLY CA C 25 44.602 45.858 -1.256 1
1 275 . 2 1 1 A 25 25 GLY N N 25 110.337 109.014 1.323 1
1 276 . 2 1 1 A 26 26 TYR H H 26 8.256 8.977 -0.721 1
1 277 . 2 1 1 A 26 26 TYR HA H 26 6.053 5.302 0.751 1
1 284 . 2 1 1 A 26 26 TYR C C 26 173.625 174.053 -0.428 1
1 285 . 2 1 1 A 26 26 TYR CA C 26 55.921 56.208 -0.287 1
1 286 . 2 1 1 A 26 26 TYR CB C 26 42.690 41.701 0.989 1
1 291 . 2 1 1 A 26 26 TYR N N 26 116.601 124.314 -7.713 1
1 292 . 2 1 1 A 27 27 LEU H H 27 9.227 8.847 0.380 1
1 293 . 2 1 1 A 27 27 LEU HA H 27 4.437 4.773 -0.336 1
1 303 . 2 1 1 A 27 27 LEU C C 27 175.019 175.713 -0.694 1
1 304 . 2 1 1 A 27 27 LEU CA C 27 53.999 53.216 0.783 1
1 305 . 2 1 1 A 27 27 LEU CB C 27 46.334 45.369 0.965 1
1 309 . 2 1 1 A 27 27 LEU N N 27 121.005 127.377 -6.372 1
1 310 . 2 1 1 A 28 28 CYS H H 28 8.801 8.830 -0.029 1
1 311 . 2 1 1 A 28 28 CYS HA H 28 5.730 5.543 0.187 1
1 314 . 2 1 1 A 28 28 CYS C C 28 174.452 172.720 1.732 1
1 315 . 2 1 1 A 28 28 CYS CA C 28 51.978 54.740 -2.762 1
1 316 . 2 1 1 A 28 28 CYS CB C 28 37.734 44.248 -6.514 1
1 317 . 2 1 1 A 28 28 CYS N N 28 120.613 120.615 -0.002 1
1 318 . 2 1 1 A 29 29 LEU H H 29 9.371 8.783 0.588 1
1 319 . 2 1 1 A 29 29 LEU HA H 29 4.891 4.719 0.172 1
1 329 . 2 1 1 A 29 29 LEU C C 29 173.339 174.553 -1.214 1
1 330 . 2 1 1 A 29 29 LEU CA C 29 51.743 52.045 -0.302 1
1 331 . 2 1 1 A 29 29 LEU CB C 29 44.633 42.511 2.122 1
1 335 . 2 1 1 A 29 29 LEU N N 29 127.550 126.559 0.991 1
1 336 . 2 1 1 A 30 30 PRO HA H 30 4.478 4.491 -0.013 1
1 343 . 2 1 1 A 30 30 PRO C C 30 177.206 177.273 -0.067 1
1 344 . 2 1 1 A 30 30 PRO CA C 30 62.730 63.284 -0.554 1
1 345 . 2 1 1 A 30 30 PRO CB C 30 31.984 32.234 -0.250 1
1 348 . 2 1 1 A 31 31 ARG H H 31 8.856 8.868 -0.012 1
1 349 . 2 1 1 A 31 31 ARG HA H 31 4.189 4.285 -0.096 1
1 357 . 2 1 1 A 31 31 ARG C C 31 176.891 176.938 -0.047 1
1 358 . 2 1 1 A 31 31 ARG CA C 31 56.964 57.025 -0.061 1
1 359 . 2 1 1 A 31 31 ARG CB C 31 30.633 30.164 0.469 1
1 362 . 2 1 1 A 31 31 ARG N N 31 121.660 124.829 -3.169 1
1 364 . 2 1 1 A 32 32 SER H H 32 8.318 7.810 0.508 1
1 365 . 2 1 1 A 32 32 SER HA H 32 4.389 4.283 0.106 1
1 368 . 2 1 1 A 32 32 SER C C 32 174.251 174.556 -0.305 1
1 369 . 2 1 1 A 32 32 SER CA C 32 58.238 60.333 -2.095 1
1 370 . 2 1 1 A 32 32 SER CB C 32 63.821 62.930 0.891 1
1 371 . 2 1 1 A 32 32 SER N N 32 116.432 114.644 1.788 1
1 372 . 2 1 1 A 33 33 ALA H H 33 8.353 7.514 0.839 1
1 373 . 2 1 1 A 33 33 ALA HA H 33 4.307 4.346 -0.039 1
1 377 . 2 1 1 A 33 33 ALA C C 33 177.290 177.270 0.020 1
1 378 . 2 1 1 A 33 33 ALA CA C 33 52.515 51.925 0.590 1
1 379 . 2 1 1 A 33 33 ALA CB C 33 19.358 20.212 -0.854 1
1 380 . 2 1 1 A 33 33 ALA N N 33 126.203 122.493 3.710 1
1 381 . 2 1 1 A 34 34 ALA H H 34 8.178 8.531 -0.353 1
1 382 . 2 1 1 A 34 34 ALA HA H 34 4.280 4.659 -0.379 1
1 386 . 2 1 1 A 34 34 ALA C C 34 177.519 176.435 1.084 1
1 387 . 2 1 1 A 34 34 ALA CA C 34 52.480 51.144 1.336 1
1 388 . 2 1 1 A 34 34 ALA CB C 34 19.250 20.087 -0.837 1
1 389 . 2 1 1 A 34 34 ALA N N 34 123.091 123.062 0.029 1
1 390 . 2 1 1 A 35 35 VAL H H 35 8.083 8.655 -0.572 1
1 391 . 2 1 1 A 35 35 VAL HA H 35 4.060 4.539 -0.479 1
1 399 . 2 1 1 A 35 35 VAL C C 35 176.050 175.400 0.650 1
1 400 . 2 1 1 A 35 35 VAL CA C 35 62.297 61.350 0.947 1
1 401 . 2 1 1 A 35 35 VAL CB C 35 32.695 32.219 0.476 1
1 404 . 2 1 1 A 35 35 VAL N N 35 120.060 119.727 0.333 1
1 405 . 2 1 1 A 36 36 ILE H H 36 8.264 8.608 -0.344 1
1 406 . 2 1 1 A 36 36 ILE HA H 36 4.141 4.805 -0.664 1
1 416 . 2 1 1 A 36 36 ILE C C 36 175.848 175.501 0.347 1
1 417 . 2 1 1 A 36 36 ILE CA C 36 60.924 59.063 1.861 1
1 418 . 2 1 1 A 36 36 ILE CB C 36 38.614 39.709 -1.095 1
1 422 . 2 1 1 A 36 36 ILE N N 36 125.147 124.448 0.699 1
1 423 . 2 1 1 A 37 37 ASN H H 37 8.501 8.449 0.052 1
1 424 . 2 1 1 A 37 37 ASN HA H 37 4.702 4.842 -0.140 1
1 429 . 2 1 1 A 37 37 ASN C C 37 174.609 176.639 -2.030 1
1 430 . 2 1 1 A 37 37 ASN CA C 37 53.143 50.909 2.234 1
1 431 . 2 1 1 A 37 37 ASN CB C 37 38.957 39.203 -0.246 1
1 432 . 2 1 1 A 37 37 ASN N N 37 123.292 119.404 3.888 1
1 434 . 2 1 1 A 38 38 ASP H H 38 8.326 8.661 -0.335 1
1 435 . 2 1 1 A 38 38 ASP HA H 38 4.562 4.361 0.201 1
1 438 . 2 1 1 A 38 38 ASP C C 38 176.188 176.652 -0.464 1
1 439 . 2 1 1 A 38 38 ASP CA C 38 54.218 56.425 -2.207 1
1 440 . 2 1 1 A 38 38 ASP CB C 38 41.133 39.862 1.271 1
1 441 . 2 1 1 A 38 38 ASP N N 38 121.317 117.959 3.358 1
1 442 . 2 1 1 A 39 39 LEU H H 39 8.188 7.748 0.440 1
1 443 . 2 1 1 A 39 39 LEU HA H 39 4.242 4.353 -0.111 1
1 453 . 2 1 1 A 39 39 LEU C C 39 177.515 176.634 0.881 1
1 454 . 2 1 1 A 39 39 LEU CA C 39 55.501 55.528 -0.027 1
1 455 . 2 1 1 A 39 39 LEU CB C 39 42.030 41.200 0.830 1
1 459 . 2 1 1 A 39 39 LEU N N 39 122.367 122.091 0.276 1
1 460 . 2 1 1 A 40 40 HIS H H 40 8.418 9.030 -0.612 1
1 461 . 2 1 1 A 40 40 HIS HA H 40 4.636 4.622 0.014 1
1 466 . 2 1 1 A 40 40 HIS C C 40 175.495 175.146 0.349 1
1 467 . 2 1 1 A 40 40 HIS CA C 40 55.920 56.238 -0.318 1
1 468 . 2 1 1 A 40 40 HIS CB C 40 29.633 30.037 -0.404 1
1 471 . 2 1 1 A 40 40 HIS N N 40 118.989 123.014 -4.025 1
1 474 . 2 1 1 A 41 41 GLY H H 41 8.258 7.755 0.503 1
1 475 . 2 1 1 A 41 41 GLY HA2 H 41 3.969 3.897 0.072 1
1 476 . 2 1 1 A 41 41 GLY HA3 H 41 3.952 3.903 0.049 1
1 477 . 2 1 1 A 41 41 GLY C C 41 174.007 174.526 -0.519 1
1 478 . 2 1 1 A 41 41 GLY CA C 41 45.363 46.241 -0.878 1
1 479 . 2 1 1 A 41 41 GLY N N 41 109.714 107.946 1.768 1
1 480 . 2 1 1 A 42 42 GLU H H 42 8.406 8.077 0.329 1
1 481 . 2 1 1 A 42 42 GLU HA H 42 4.378 4.473 -0.095 1
1 486 . 2 1 1 A 42 42 GLU C C 42 176.668 176.636 0.032 1
1 487 . 2 1 1 A 42 42 GLU CA C 42 56.278 57.504 -1.226 1
1 488 . 2 1 1 A 42 42 GLU CB C 42 30.473 31.739 -1.266 1
1 490 . 2 1 1 A 42 42 GLU N N 42 120.561 121.103 -0.542 1
1 491 . 2 1 1 A 43 43 GLY H H 43 8.284 7.822 0.462 1
1 492 . 2 1 1 A 43 43 GLY HA2 H 43 4.100 4.022 0.078 1
1 493 . 2 1 1 A 43 43 GLY HA3 H 43 4.099 4.024 0.075 1
1 494 . 2 1 1 A 43 43 GLY C C 43 171.027 174.732 -3.705 1
1 495 . 2 1 1 A 43 43 GLY CA C 43 44.399 45.397 -0.998 1
1 496 . 2 1 1 A 43 43 GLY N N 43 110.014 107.754 2.260 1
1 498 . 2 1 1 A 47 47 PRO C C 47 176.172 176.551 -0.379 1
1 499 . 2 1 1 A 47 47 PRO CB C 47 32.134 31.700 0.434 1
1 500 . 2 1 1 A 48 48 VAL H H 48 8.585 7.854 0.731 1
1 501 . 2 1 1 A 48 48 VAL HA H 48 4.438 4.457 -0.019 1
1 508 . 2 1 1 A 48 48 VAL C C 48 174.309 173.771 0.538 1
1 509 . 2 1 1 A 48 48 VAL CA C 48 59.190 59.410 -0.220 1
1 512 . 2 1 1 A 48 48 VAL N N 48 125.965 113.020 12.945 1
1 513 . 2 1 1 A 50 50 PRO HA H 50 4.353 4.419 -0.066 1
1 520 . 2 1 1 A 50 50 PRO C C 50 176.824 176.103 0.721 1
1 521 . 2 1 1 A 50 50 PRO CA C 50 63.194 64.654 -1.460 1
1 522 . 2 1 1 A 50 50 PRO CB C 50 32.006 32.259 -0.253 1
1 525 . 2 1 1 A 51 51 ALA H H 51 8.301 7.307 0.994 1
1 526 . 2 1 1 A 51 51 ALA HA H 51 4.241 4.474 -0.233 1
1 530 . 2 1 1 A 51 51 ALA C C 51 177.617 176.732 0.885 1
1 531 . 2 1 1 A 51 51 ALA CA C 51 52.717 51.446 1.271 1
1 532 . 2 1 1 A 51 51 ALA CB C 51 19.211 21.549 -2.338 1
1 533 . 2 1 1 A 51 51 ALA N N 51 122.996 115.913 7.083 1
1 534 . 2 1 1 A 52 52 GLN H H 52 8.165 8.617 -0.452 1
1 535 . 2 1 1 A 52 52 GLN HA H 52 4.266 4.425 -0.159 1
1 542 . 2 1 1 A 52 52 GLN C C 52 175.394 175.149 0.245 1
1 543 . 2 1 1 A 52 52 GLN CA C 52 55.582 56.571 -0.989 1
1 544 . 2 1 1 A 52 52 GLN CB C 52 29.636 29.006 0.630 1
1 546 . 2 1 1 A 52 52 GLN N N 52 118.178 117.210 0.968 1
1 548 . 2 1 1 A 53 53 HIS H H 53 8.395 7.663 0.732 1
1 549 . 2 1 1 A 53 53 HIS HA H 53 4.872 4.862 0.010 1
1 554 . 2 1 1 A 53 53 HIS C C 53 173.260 175.026 -1.766 1
1 555 . 2 1 1 A 53 53 HIS CA C 53 54.036 54.169 -0.133 1
1 556 . 2 1 1 A 53 53 HIS CB C 53 29.841 31.078 -1.237 1
1 559 . 2 1 1 A 53 53 HIS N N 53 121.522 118.788 2.734 1
1 562 . 2 1 1 A 54 54 PRO HA H 54 4.547 3.975 0.572 1
1 569 . 2 1 1 A 54 54 PRO C C 54 176.605 176.871 -0.266 1
1 570 . 2 1 1 A 54 54 PRO CA C 54 62.997 64.816 -1.819 1
1 571 . 2 1 1 A 54 54 PRO CB C 54 32.349 31.750 0.599 1
1 574 . 2 1 1 A 55 55 ASN H H 55 8.646 8.153 0.493 1
1 575 . 2 1 1 A 55 55 ASN HA H 55 4.969 4.431 0.538 1
1 580 . 2 1 1 A 55 55 ASN C C 55 171.312 176.014 -4.702 1
1 581 . 2 1 1 A 55 55 ASN CA C 55 50.412 53.635 -3.223 1
1 582 . 2 1 1 A 55 55 ASN CB C 55 39.150 37.053 2.097 1
1 583 . 2 1 1 A 55 55 ASN N N 55 119.583 114.081 5.502 1
1 585 . 2 1 1 A 56 56 PRO HA H 56 4.400 4.486 -0.086 1
1 592 . 2 1 1 A 56 56 PRO C C 56 176.686 176.387 0.299 1
1 593 . 2 1 1 A 56 56 PRO CA C 56 63.273 64.327 -1.054 1
1 594 . 2 1 1 A 56 56 PRO CB C 56 31.783 31.369 0.414 1
1 597 . 2 1 1 A 57 57 CYS H H 57 7.831 8.049 -0.218 1
1 598 . 2 1 1 A 57 57 CYS HA H 57 4.443 4.732 -0.289 1
1 601 . 2 1 1 A 57 57 CYS C C 57 173.881 172.158 1.723 1
1 602 . 2 1 1 A 57 57 CYS CA C 57 59.103 55.678 3.425 1
1 603 . 2 1 1 A 57 57 CYS CB C 57 32.909 42.545 -9.636 1
1 604 . 2 1 1 A 57 57 CYS N N 57 119.502 118.206 1.296 1
1 605 . 2 1 1 A 59 59 PRO HA H 59 4.385 4.285 0.100 1
1 612 . 2 1 1 A 59 59 PRO C C 59 177.996 177.314 0.682 1
1 613 . 2 1 1 A 59 59 PRO CA C 59 64.249 63.935 0.314 1
1 614 . 2 1 1 A 59 59 PRO CB C 59 31.776 31.433 0.343 1
1 617 . 2 1 1 A 60 60 GLY H H 60 8.761 8.816 -0.055 1
1 618 . 2 1 1 A 60 60 GLY HA2 H 60 4.302 3.757 0.545 1
1 619 . 2 1 1 A 60 60 GLY HA3 H 60 3.619 3.813 -0.194 1
1 620 . 2 1 1 A 60 60 GLY C C 60 173.861 172.698 1.163 1
1 621 . 2 1 1 A 60 60 GLY CA C 60 44.888 45.118 -0.230 1
1 622 . 2 1 1 A 60 60 GLY N N 60 112.485 112.698 -0.213 1
1 623 . 2 1 1 A 61 61 TYR H H 61 8.522 7.753 0.769 1
1 624 . 2 1 1 A 61 61 TYR HA H 61 5.083 5.162 -0.079 1
1 631 . 2 1 1 A 61 61 TYR C C 61 174.910 174.909 0.001 1
1 632 . 2 1 1 A 61 61 TYR CA C 61 56.152 56.583 -0.431 1
1 633 . 2 1 1 A 61 61 TYR CB C 61 42.124 42.940 -0.816 1
1 638 . 2 1 1 A 61 61 TYR N N 61 118.801 118.598 0.203 1
1 639 . 2 1 1 A 62 62 GLU H H 62 9.129 9.345 -0.216 1
1 640 . 2 1 1 A 62 62 GLU HA H 62 4.962 5.011 -0.049 1
1 645 . 2 1 1 A 62 62 GLU C C 62 173.115 173.779 -0.664 1
1 646 . 2 1 1 A 62 62 GLU CA C 62 53.654 53.705 -0.051 1
1 647 . 2 1 1 A 62 62 GLU CB C 62 31.928 32.699 -0.771 1
1 649 . 2 1 1 A 62 62 GLU N N 62 118.016 119.617 -1.601 1
1 650 . 2 1 1 A 63 63 PRO HA H 63 4.743 4.531 0.212 1
1 657 . 2 1 1 A 63 63 PRO C C 63 177.040 175.905 1.135 1
1 658 . 2 1 1 A 63 63 PRO CA C 63 63.759 62.754 1.005 1
1 659 . 2 1 1 A 63 63 PRO CB C 63 32.352 31.889 0.463 1
1 662 . 2 1 1 A 64 64 ASP H H 64 8.595 8.656 -0.061 1
1 663 . 2 1 1 A 64 64 ASP HA H 64 4.679 4.810 -0.131 1
1 666 . 2 1 1 A 64 64 ASP C C 64 175.960 174.247 1.713 1
1 667 . 2 1 1 A 64 64 ASP CA C 64 53.790 53.127 0.663 1
1 668 . 2 1 1 A 64 64 ASP CB C 64 42.611 40.853 1.758 1
1 669 . 2 1 1 A 64 64 ASP N N 64 122.807 122.253 0.554 1
1 670 . 2 1 1 A 65 65 ASP H H 65 8.437 8.755 -0.318 1
1 671 . 2 1 1 A 65 65 ASP HA H 65 4.701 4.968 -0.267 1
1 674 . 2 1 1 A 65 65 ASP C C 65 176.412 175.305 1.107 1
1 675 . 2 1 1 A 65 65 ASP CA C 65 54.043 53.890 0.153 1
1 676 . 2 1 1 A 65 65 ASP CB C 65 41.279 41.268 0.011 1
1 677 . 2 1 1 A 65 65 ASP N N 65 124.473 126.573 -2.100 1
1 678 . 2 1 1 A 66 66 GLN H H 66 8.316 8.155 0.161 1
1 679 . 2 1 1 A 66 66 GLN HA H 66 4.290 5.036 -0.746 1
1 686 . 2 1 1 A 66 66 GLN C C 66 175.877 175.702 0.175 1
1 687 . 2 1 1 A 66 66 GLN CA C 66 55.992 54.575 1.417 1
1 688 . 2 1 1 A 66 66 GLN CB C 66 29.565 29.915 -0.350 1
1 690 . 2 1 1 A 66 66 GLN N N 66 120.317 124.355 -4.038 1
1 692 . 2 1 1 A 67 67 ASP H H 67 8.438 8.997 -0.559 1
1 693 . 2 1 1 A 67 67 ASP HA H 67 4.619 4.464 0.155 1
1 696 . 2 1 1 A 67 67 ASP C C 67 176.300 178.206 -1.906 1
1 697 . 2 1 1 A 67 67 ASP CA C 67 54.535 56.528 -1.993 1
1 698 . 2 1 1 A 67 67 ASP CB C 67 41.210 40.387 0.823 1
1 699 . 2 1 1 A 67 67 ASP N N 67 121.942 125.045 -3.103 1
1 700 . 2 1 1 A 68 68 SER H H 68 8.274 8.058 0.216 1
1 701 . 2 1 1 A 68 68 SER HA H 68 4.476 4.265 0.211 1
1 704 . 2 1 1 A 68 68 SER C C 68 174.516 174.730 -0.214 1
1 705 . 2 1 1 A 68 68 SER CA C 68 58.615 60.793 -2.178 1
1 706 . 2 1 1 A 68 68 SER CB C 68 63.911 62.915 0.996 1
1 707 . 2 1 1 A 68 68 SER N N 68 116.099 111.943 4.156 1
1 708 . 2 1 1 A 69 69 CYS H H 69 8.589 7.319 1.270 1
1 709 . 2 1 1 A 69 69 CYS HA H 69 4.719 4.957 -0.238 1
1 712 . 2 1 1 A 69 69 CYS C C 69 174.437 172.214 2.223 1
1 713 . 2 1 1 A 69 69 CYS CA C 69 55.620 55.033 0.587 1
1 714 . 2 1 1 A 69 69 CYS CB C 69 40.727 46.103 -5.376 1
1 715 . 2 1 1 A 69 69 CYS N N 69 120.951 116.363 4.588 1
1 716 . 2 1 1 A 70 70 VAL H H 70 8.150 8.688 -0.538 1
1 717 . 2 1 1 A 70 70 VAL HA H 70 4.193 5.111 -0.918 1
1 725 . 2 1 1 A 70 70 VAL C C 70 174.771 173.788 0.983 1
1 726 . 2 1 1 A 70 70 VAL CA C 70 62.021 59.105 2.916 1
1 727 . 2 1 1 A 70 70 VAL CB C 70 33.168 36.378 -3.210 1
1 730 . 2 1 1 A 70 70 VAL N N 70 120.979 118.333 2.646 1
1 2 . 3 1 1 A 2 2 ASP H H 2 8.270 7.875 0.395 1
1 3 . 3 1 1 A 2 2 ASP HA H 2 4.706 4.552 0.154 1
1 6 . 3 1 1 A 2 2 ASP C C 2 176.240 175.772 0.468 1
1 7 . 3 1 1 A 2 2 ASP CA C 2 54.448 54.760 -0.312 1
1 8 . 3 1 1 A 2 2 ASP CB C 2 41.396 41.136 0.260 1
1 9 . 3 1 1 A 2 2 ASP N N 2 116.604 122.420 -5.816 1
1 10 . 3 1 1 A 3 3 VAL H H 3 8.197 8.388 -0.191 1
1 11 . 3 1 1 A 3 3 VAL HA H 3 4.090 4.218 -0.128 1
1 19 . 3 1 1 A 3 3 VAL C C 3 175.880 174.935 0.945 1
1 20 . 3 1 1 A 3 3 VAL CA C 3 62.509 62.374 0.135 1
1 21 . 3 1 1 A 3 3 VAL CB C 3 32.701 32.838 -0.137 1
1 24 . 3 1 1 A 3 3 VAL N N 3 119.871 125.361 -5.490 1
1 25 . 3 1 1 A 4 4 ASN H H 4 8.502 8.845 -0.343 1
1 26 . 3 1 1 A 4 4 ASN HA H 4 4.700 5.203 -0.503 1
1 31 . 3 1 1 A 4 4 ASN C C 4 175.378 175.353 0.025 1
1 32 . 3 1 1 A 4 4 ASN CA C 4 53.427 51.686 1.741 1
1 33 . 3 1 1 A 4 4 ASN CB C 4 39.212 41.781 -2.569 1
1 34 . 3 1 1 A 4 4 ASN N N 4 121.932 125.187 -3.255 1
1 36 . 3 1 1 A 5 5 GLU H H 5 8.453 8.824 -0.371 1
1 37 . 3 1 1 A 5 5 GLU HA H 5 4.281 4.388 -0.107 1
1 42 . 3 1 1 A 5 5 GLU C C 5 176.502 177.976 -1.474 1
1 43 . 3 1 1 A 5 5 GLU CA C 5 56.925 56.135 0.790 1
1 44 . 3 1 1 A 5 5 GLU CB C 5 30.226 30.422 -0.196 1
1 46 . 3 1 1 A 5 5 GLU N N 5 122.108 120.364 1.744 1
1 47 . 3 1 1 A 6 6 CYS H H 6 8.519 8.716 -0.197 1
1 48 . 3 1 1 A 6 6 CYS HA H 6 4.605 4.436 0.169 1
1 51 . 3 1 1 A 6 6 CYS C C 6 174.876 174.437 0.439 1
1 52 . 3 1 1 A 6 6 CYS CA C 6 56.068 58.428 -2.360 1
1 53 . 3 1 1 A 6 6 CYS CB C 6 40.544 42.077 -1.533 1
1 54 . 3 1 1 A 6 6 CYS N N 6 119.657 119.172 0.485 1
1 55 . 3 1 1 A 7 7 LEU H H 7 8.372 7.817 0.555 1
1 56 . 3 1 1 A 7 7 LEU HA H 7 4.361 4.373 -0.012 1
1 66 . 3 1 1 A 7 7 LEU C C 7 177.534 176.809 0.725 1
1 67 . 3 1 1 A 7 7 LEU CA C 7 55.778 55.938 -0.160 1
1 68 . 3 1 1 A 7 7 LEU CB C 7 42.554 42.280 0.274 1
1 72 . 3 1 1 A 7 7 LEU N N 7 123.198 115.915 7.283 1
1 73 . 3 1 1 A 8 8 THR H H 8 8.018 7.540 0.478 1
1 74 . 3 1 1 A 8 8 THR HA H 8 4.332 4.277 0.055 1
1 79 . 3 1 1 A 8 8 THR C C 8 174.296 174.690 -0.394 1
1 80 . 3 1 1 A 8 8 THR CA C 8 61.745 63.113 -1.368 1
1 81 . 3 1 1 A 8 8 THR CB C 8 69.529 69.990 -0.461 1
1 83 . 3 1 1 A 8 8 THR N N 8 113.232 116.271 -3.039 1
1 84 . 3 1 1 A 9 9 ILE H H 9 7.827 8.506 -0.679 1
1 85 . 3 1 1 A 9 9 ILE HA H 9 4.472 4.479 -0.007 1
1 95 . 3 1 1 A 9 9 ILE C C 9 174.443 174.851 -0.408 1
1 96 . 3 1 1 A 9 9 ILE CA C 9 58.355 59.305 -0.950 1
1 97 . 3 1 1 A 9 9 ILE CB C 9 38.496 37.955 0.541 1
1 101 . 3 1 1 A 9 9 ILE N N 9 123.285 127.377 -4.092 1
1 102 . 3 1 1 A 10 10 PRO HA H 10 4.351 4.572 -0.221 1
1 109 . 3 1 1 A 10 10 PRO C C 10 177.207 177.341 -0.134 1
1 110 . 3 1 1 A 10 10 PRO CA C 10 63.599 62.687 0.912 1
1 111 . 3 1 1 A 10 10 PRO CB C 10 31.965 30.626 1.339 1
1 114 . 3 1 1 A 11 11 GLU H H 11 8.555 8.353 0.202 1
1 115 . 3 1 1 A 11 11 GLU HA H 11 4.053 4.192 -0.139 1
1 120 . 3 1 1 A 11 11 GLU C C 11 176.353 176.634 -0.281 1
1 121 . 3 1 1 A 11 11 GLU CA C 11 56.955 57.204 -0.249 1
1 122 . 3 1 1 A 11 11 GLU CB C 11 29.589 29.837 -0.248 1
1 124 . 3 1 1 A 11 11 GLU N N 11 120.562 121.556 -0.994 1
1 125 . 3 1 1 A 12 12 ALA H H 12 8.089 7.547 0.542 1
1 126 . 3 1 1 A 12 12 ALA HA H 12 4.233 4.471 -0.238 1
1 130 . 3 1 1 A 12 12 ALA C C 12 178.135 176.797 1.338 1
1 131 . 3 1 1 A 12 12 ALA CA C 12 53.092 51.863 1.229 1
1 132 . 3 1 1 A 12 12 ALA CB C 12 19.570 20.980 -1.410 1
1 133 . 3 1 1 A 12 12 ALA N N 12 123.927 121.812 2.115 1
1 134 . 3 1 1 A 13 13 CYS H H 13 8.725 8.719 0.006 1
1 135 . 3 1 1 A 13 13 CYS HA H 13 4.816 5.212 -0.396 1
1 138 . 3 1 1 A 13 13 CYS C C 13 175.490 173.235 2.255 1
1 139 . 3 1 1 A 13 13 CYS CA C 13 52.752 54.862 -2.110 1
1 140 . 3 1 1 A 13 13 CYS CB C 13 36.168 43.265 -7.097 1
1 141 . 3 1 1 A 13 13 CYS N N 13 114.120 118.308 -4.188 1
1 142 . 3 1 1 A 14 14 LYS H H 14 8.246 8.696 -0.450 1
1 143 . 3 1 1 A 14 14 LYS HA H 14 4.027 4.011 0.016 1
1 152 . 3 1 1 A 14 14 LYS C C 14 177.863 177.542 0.321 1
1 153 . 3 1 1 A 14 14 LYS CA C 14 58.289 58.154 0.135 1
1 154 . 3 1 1 A 14 14 LYS CB C 14 31.489 32.208 -0.719 1
1 158 . 3 1 1 A 14 14 LYS N N 14 121.767 126.079 -4.312 1
1 159 . 3 1 1 A 15 15 GLY H H 15 8.979 8.807 0.172 1
1 160 . 3 1 1 A 15 15 GLY HA2 H 15 4.161 3.923 0.238 1
1 161 . 3 1 1 A 15 15 GLY HA3 H 15 3.765 3.924 -0.159 1
1 162 . 3 1 1 A 15 15 GLY C C 15 173.903 173.497 0.406 1
1 163 . 3 1 1 A 15 15 GLY CA C 15 45.603 45.614 -0.011 1
1 164 . 3 1 1 A 15 15 GLY N N 15 113.508 114.373 -0.865 1
1 165 . 3 1 1 A 16 16 GLU H H 16 8.027 7.626 0.401 1
1 166 . 3 1 1 A 16 16 GLU HA H 16 4.555 4.911 -0.356 1
1 171 . 3 1 1 A 16 16 GLU C C 16 174.310 174.998 -0.688 1
1 172 . 3 1 1 A 16 16 GLU CA C 16 55.213 54.366 0.847 1
1 173 . 3 1 1 A 16 16 GLU CB C 16 31.839 33.631 -1.792 1
1 175 . 3 1 1 A 16 16 GLU N N 16 120.692 119.415 1.277 1
1 176 . 3 1 1 A 17 17 MET H H 17 8.943 8.553 0.390 1
1 177 . 3 1 1 A 17 17 MET HA H 17 4.584 5.024 -0.440 1
1 185 . 3 1 1 A 17 17 MET C C 17 173.801 175.333 -1.532 1
1 186 . 3 1 1 A 17 17 MET CA C 17 55.183 54.478 0.705 1
1 187 . 3 1 1 A 17 17 MET CB C 17 34.221 32.823 1.398 1
1 190 . 3 1 1 A 17 17 MET N N 17 120.713 120.231 0.482 1
1 191 . 3 1 1 A 18 18 LYS H H 18 8.789 8.602 0.187 1
1 192 . 3 1 1 A 18 18 LYS HA H 18 5.083 4.697 0.386 1
1 201 . 3 1 1 A 18 18 LYS C C 18 175.138 174.575 0.563 1
1 202 . 3 1 1 A 18 18 LYS CA C 18 55.726 55.421 0.305 1
1 203 . 3 1 1 A 18 18 LYS CB C 18 35.053 33.346 1.707 1
1 207 . 3 1 1 A 18 18 LYS N N 18 127.261 124.484 2.777 1
1 208 . 3 1 1 A 19 19 CYS H H 19 9.132 9.230 -0.098 1
1 209 . 3 1 1 A 19 19 CYS HA H 19 5.273 5.392 -0.119 1
1 212 . 3 1 1 A 19 19 CYS C C 19 174.193 173.225 0.968 1
1 213 . 3 1 1 A 19 19 CYS CA C 19 54.753 54.560 0.193 1
1 214 . 3 1 1 A 19 19 CYS CB C 19 43.915 43.608 0.307 1
1 215 . 3 1 1 A 19 19 CYS N N 19 126.193 125.269 0.924 1
1 216 . 3 1 1 A 20 20 ILE H H 20 10.001 8.920 1.081 1
1 217 . 3 1 1 A 20 20 ILE HA H 20 5.483 5.803 -0.320 1
1 227 . 3 1 1 A 20 20 ILE C C 20 176.355 174.366 1.989 1
1 228 . 3 1 1 A 20 20 ILE CA C 20 59.977 59.056 0.921 1
1 229 . 3 1 1 A 20 20 ILE CB C 20 42.458 42.425 0.033 1
1 233 . 3 1 1 A 20 20 ILE N N 20 119.415 119.721 -0.306 1
1 234 . 3 1 1 A 21 21 ASN H H 21 8.092 8.279 -0.187 1
1 235 . 3 1 1 A 21 21 ASN HA H 21 4.906 5.238 -0.332 1
1 240 . 3 1 1 A 21 21 ASN CA C 21 50.729 51.229 -0.500 1
1 241 . 3 1 1 A 21 21 ASN CB C 21 38.492 41.491 -2.999 1
1 245 . 3 1 1 A 22 22 HIS C C 22 174.724 176.354 -1.630 1
1 250 . 3 1 1 A 23 23 TYR H H 23 7.932 7.600 0.332 1
1 251 . 3 1 1 A 23 23 TYR HA H 23 4.785 4.514 0.271 1
1 258 . 3 1 1 A 23 23 TYR C C 23 176.186 175.875 0.311 1
1 259 . 3 1 1 A 23 23 TYR CA C 23 56.891 58.349 -1.458 1
1 260 . 3 1 1 A 23 23 TYR CB C 23 38.509 38.578 -0.069 1
1 265 . 3 1 1 A 23 23 TYR N N 23 117.160 117.563 -0.403 1
1 266 . 3 1 1 A 24 24 GLY HA2 H 24 4.411 4.057 0.354 1
1 267 . 3 1 1 A 24 24 GLY HA3 H 24 3.674 4.074 -0.400 1
1 268 . 3 1 1 A 24 24 GLY C C 24 174.895 174.919 -0.024 1
1 269 . 3 1 1 A 24 24 GLY CA C 24 45.377 45.077 0.300 1
1 270 . 3 1 1 A 25 25 GLY H H 25 8.418 8.219 0.199 1
1 271 . 3 1 1 A 25 25 GLY HA2 H 25 4.461 4.088 0.373 1
1 272 . 3 1 1 A 25 25 GLY HA3 H 25 3.737 4.202 -0.465 1
1 273 . 3 1 1 A 25 25 GLY C C 25 172.832 171.920 0.912 1
1 274 . 3 1 1 A 25 25 GLY CA C 25 44.602 45.881 -1.279 1
1 275 . 3 1 1 A 25 25 GLY N N 25 110.337 108.379 1.958 1
1 276 . 3 1 1 A 26 26 TYR H H 26 8.256 9.009 -0.753 1
1 277 . 3 1 1 A 26 26 TYR HA H 26 6.053 5.392 0.661 1
1 284 . 3 1 1 A 26 26 TYR C C 26 173.625 173.737 -0.112 1
1 285 . 3 1 1 A 26 26 TYR CA C 26 55.921 56.468 -0.547 1
1 286 . 3 1 1 A 26 26 TYR CB C 26 42.690 41.941 0.749 1
1 291 . 3 1 1 A 26 26 TYR N N 26 116.601 124.098 -7.497 1
1 292 . 3 1 1 A 27 27 LEU H H 27 9.227 8.615 0.612 1
1 293 . 3 1 1 A 27 27 LEU HA H 27 4.437 4.531 -0.094 1
1 303 . 3 1 1 A 27 27 LEU C C 27 175.019 175.231 -0.212 1
1 304 . 3 1 1 A 27 27 LEU CA C 27 53.999 53.134 0.865 1
1 305 . 3 1 1 A 27 27 LEU CB C 27 46.334 45.681 0.653 1
1 309 . 3 1 1 A 27 27 LEU N N 27 121.005 126.527 -5.522 1
1 310 . 3 1 1 A 28 28 CYS H H 28 8.801 8.678 0.123 1
1 311 . 3 1 1 A 28 28 CYS HA H 28 5.730 5.602 0.128 1
1 314 . 3 1 1 A 28 28 CYS C C 28 174.452 172.608 1.844 1
1 315 . 3 1 1 A 28 28 CYS CA C 28 51.978 54.457 -2.479 1
1 316 . 3 1 1 A 28 28 CYS CB C 28 37.734 44.324 -6.590 1
1 317 . 3 1 1 A 28 28 CYS N N 28 120.613 120.328 0.285 1
1 318 . 3 1 1 A 29 29 LEU H H 29 9.371 9.100 0.271 1
1 319 . 3 1 1 A 29 29 LEU HA H 29 4.891 4.710 0.181 1
1 329 . 3 1 1 A 29 29 LEU C C 29 173.339 174.402 -1.063 1
1 330 . 3 1 1 A 29 29 LEU CA C 29 51.743 51.635 0.108 1
1 331 . 3 1 1 A 29 29 LEU CB C 29 44.633 43.576 1.057 1
1 335 . 3 1 1 A 29 29 LEU N N 29 127.550 126.533 1.017 1
1 336 . 3 1 1 A 30 30 PRO HA H 30 4.478 4.619 -0.141 1
1 343 . 3 1 1 A 30 30 PRO C C 30 177.206 177.516 -0.310 1
1 344 . 3 1 1 A 30 30 PRO CA C 30 62.730 62.898 -0.168 1
1 345 . 3 1 1 A 30 30 PRO CB C 30 31.984 32.284 -0.300 1
1 348 . 3 1 1 A 31 31 ARG H H 31 8.856 8.956 -0.100 1
1 349 . 3 1 1 A 31 31 ARG HA H 31 4.189 4.123 0.066 1
1 357 . 3 1 1 A 31 31 ARG C C 31 176.891 177.744 -0.853 1
1 358 . 3 1 1 A 31 31 ARG CA C 31 56.964 58.292 -1.328 1
1 359 . 3 1 1 A 31 31 ARG CB C 31 30.633 30.016 0.617 1
1 362 . 3 1 1 A 31 31 ARG N N 31 121.660 124.827 -3.167 1
1 364 . 3 1 1 A 32 32 SER H H 32 8.318 7.863 0.455 1
1 365 . 3 1 1 A 32 32 SER HA H 32 4.389 4.235 0.154 1
1 368 . 3 1 1 A 32 32 SER C C 32 174.251 174.601 -0.350 1
1 369 . 3 1 1 A 32 32 SER CA C 32 58.238 61.135 -2.897 1
1 370 . 3 1 1 A 32 32 SER CB C 32 63.821 62.914 0.907 1
1 371 . 3 1 1 A 32 32 SER N N 32 116.432 114.246 2.186 1
1 372 . 3 1 1 A 33 33 ALA H H 33 8.353 7.165 1.188 1
1 373 . 3 1 1 A 33 33 ALA HA H 33 4.307 4.337 -0.030 1
1 377 . 3 1 1 A 33 33 ALA C C 33 177.290 177.284 0.006 1
1 378 . 3 1 1 A 33 33 ALA CA C 33 52.515 51.868 0.647 1
1 379 . 3 1 1 A 33 33 ALA CB C 33 19.358 20.370 -1.012 1
1 380 . 3 1 1 A 33 33 ALA N N 33 126.203 122.423 3.780 1
1 381 . 3 1 1 A 34 34 ALA H H 34 8.178 8.781 -0.603 1
1 382 . 3 1 1 A 34 34 ALA HA H 34 4.280 4.701 -0.421 1
1 386 . 3 1 1 A 34 34 ALA C C 34 177.519 178.914 -1.395 1
1 387 . 3 1 1 A 34 34 ALA CA C 34 52.480 51.043 1.437 1
1 388 . 3 1 1 A 34 34 ALA CB C 34 19.250 19.980 -0.730 1
1 389 . 3 1 1 A 34 34 ALA N N 34 123.091 123.007 0.084 1
1 390 . 3 1 1 A 35 35 VAL H H 35 8.083 8.642 -0.559 1
1 391 . 3 1 1 A 35 35 VAL HA H 35 4.060 4.406 -0.346 1
1 399 . 3 1 1 A 35 35 VAL C C 35 176.050 176.230 -0.180 1
1 400 . 3 1 1 A 35 35 VAL CA C 35 62.297 61.677 0.620 1
1 401 . 3 1 1 A 35 35 VAL CB C 35 32.695 32.085 0.610 1
1 404 . 3 1 1 A 35 35 VAL N N 35 120.060 118.000 2.060 1
1 405 . 3 1 1 A 36 36 ILE H H 36 8.264 7.288 0.976 1
1 406 . 3 1 1 A 36 36 ILE HA H 36 4.141 4.317 -0.176 1
1 416 . 3 1 1 A 36 36 ILE C C 36 175.848 175.911 -0.063 1
1 417 . 3 1 1 A 36 36 ILE CA C 36 60.924 59.846 1.078 1
1 418 . 3 1 1 A 36 36 ILE CB C 36 38.614 38.817 -0.203 1
1 422 . 3 1 1 A 36 36 ILE N N 36 125.147 119.487 5.660 1
1 423 . 3 1 1 A 37 37 ASN H H 37 8.501 7.914 0.587 1
1 424 . 3 1 1 A 37 37 ASN HA H 37 4.702 4.500 0.202 1
1 429 . 3 1 1 A 37 37 ASN C C 37 174.609 175.085 -0.476 1
1 430 . 3 1 1 A 37 37 ASN CA C 37 53.143 54.036 -0.893 1
1 431 . 3 1 1 A 37 37 ASN CB C 37 38.957 39.266 -0.309 1
1 432 . 3 1 1 A 37 37 ASN N N 37 123.292 120.349 2.943 1
1 434 . 3 1 1 A 38 38 ASP H H 38 8.326 8.549 -0.223 1
1 435 . 3 1 1 A 38 38 ASP HA H 38 4.562 4.583 -0.021 1
1 438 . 3 1 1 A 38 38 ASP C C 38 176.188 176.084 0.104 1
1 439 . 3 1 1 A 38 38 ASP CA C 38 54.218 54.912 -0.694 1
1 440 . 3 1 1 A 38 38 ASP CB C 38 41.133 40.477 0.656 1
1 441 . 3 1 1 A 38 38 ASP N N 38 121.317 123.827 -2.510 1
1 442 . 3 1 1 A 39 39 LEU H H 39 8.188 8.881 -0.693 1
1 443 . 3 1 1 A 39 39 LEU HA H 39 4.242 4.519 -0.277 1
1 453 . 3 1 1 A 39 39 LEU C C 39 177.515 175.068 2.447 1
1 454 . 3 1 1 A 39 39 LEU CA C 39 55.501 54.575 0.926 1
1 455 . 3 1 1 A 39 39 LEU CB C 39 42.030 39.767 2.263 1
1 459 . 3 1 1 A 39 39 LEU N N 39 122.367 126.941 -4.574 1
1 460 . 3 1 1 A 40 40 HIS H H 40 8.418 7.835 0.583 1
1 461 . 3 1 1 A 40 40 HIS HA H 40 4.636 4.990 -0.354 1
1 466 . 3 1 1 A 40 40 HIS C C 40 175.495 173.253 2.242 1
1 467 . 3 1 1 A 40 40 HIS CA C 40 55.920 54.847 1.073 1
1 468 . 3 1 1 A 40 40 HIS CB C 40 29.633 31.604 -1.971 1
1 471 . 3 1 1 A 40 40 HIS N N 40 118.989 115.912 3.077 1
1 474 . 3 1 1 A 41 41 GLY H H 41 8.258 8.937 -0.679 1
1 475 . 3 1 1 A 41 41 GLY HA2 H 41 3.969 4.009 -0.040 1
1 476 . 3 1 1 A 41 41 GLY HA3 H 41 3.952 4.047 -0.095 1
1 477 . 3 1 1 A 41 41 GLY C C 41 174.007 173.420 0.587 1
1 478 . 3 1 1 A 41 41 GLY CA C 41 45.363 45.968 -0.605 1
1 479 . 3 1 1 A 41 41 GLY N N 41 109.714 108.731 0.983 1
1 480 . 3 1 1 A 42 42 GLU H H 42 8.406 8.370 0.036 1
1 481 . 3 1 1 A 42 42 GLU HA H 42 4.378 4.204 0.174 1
1 486 . 3 1 1 A 42 42 GLU C C 42 176.668 177.249 -0.581 1
1 487 . 3 1 1 A 42 42 GLU CA C 42 56.278 58.319 -2.041 1
1 488 . 3 1 1 A 42 42 GLU CB C 42 30.473 29.292 1.181 1
1 490 . 3 1 1 A 42 42 GLU N N 42 120.561 124.092 -3.531 1
1 491 . 3 1 1 A 43 43 GLY H H 43 8.284 8.509 -0.225 1
1 492 . 3 1 1 A 43 43 GLY HA2 H 43 4.100 4.058 0.042 1
1 493 . 3 1 1 A 43 43 GLY HA3 H 43 4.099 4.060 0.039 1
1 494 . 3 1 1 A 43 43 GLY C C 43 171.027 174.053 -3.026 1
1 495 . 3 1 1 A 43 43 GLY CA C 43 44.399 44.401 -0.002 1
1 496 . 3 1 1 A 43 43 GLY N N 43 110.014 113.247 -3.233 1
1 498 . 3 1 1 A 47 47 PRO C C 47 176.172 176.410 -0.238 1
1 499 . 3 1 1 A 47 47 PRO CB C 47 32.134 31.927 0.207 1
1 500 . 3 1 1 A 48 48 VAL H H 48 8.585 7.587 0.998 1
1 501 . 3 1 1 A 48 48 VAL HA H 48 4.438 4.552 -0.114 1
1 508 . 3 1 1 A 48 48 VAL C C 48 174.309 173.759 0.550 1
1 509 . 3 1 1 A 48 48 VAL CA C 48 59.190 59.053 0.137 1
1 512 . 3 1 1 A 48 48 VAL N N 48 125.965 115.673 10.292 1
1 513 . 3 1 1 A 50 50 PRO HA H 50 4.353 4.517 -0.164 1
1 520 . 3 1 1 A 50 50 PRO C C 50 176.824 176.155 0.669 1
1 521 . 3 1 1 A 50 50 PRO CA C 50 63.194 63.983 -0.789 1
1 522 . 3 1 1 A 50 50 PRO CB C 50 32.006 32.893 -0.887 1
1 525 . 3 1 1 A 51 51 ALA H H 51 8.301 7.786 0.515 1
1 526 . 3 1 1 A 51 51 ALA HA H 51 4.241 4.169 0.072 1
1 530 . 3 1 1 A 51 51 ALA C C 51 177.617 177.390 0.227 1
1 531 . 3 1 1 A 51 51 ALA CA C 51 52.717 54.045 -1.328 1
1 532 . 3 1 1 A 51 51 ALA CB C 51 19.211 19.146 0.065 1
1 533 . 3 1 1 A 51 51 ALA N N 51 122.996 124.951 -1.955 1
1 534 . 3 1 1 A 52 52 GLN H H 52 8.165 8.596 -0.431 1
1 535 . 3 1 1 A 52 52 GLN HA H 52 4.266 4.469 -0.203 1
1 542 . 3 1 1 A 52 52 GLN C C 52 175.394 175.317 0.077 1
1 543 . 3 1 1 A 52 52 GLN CA C 52 55.582 55.993 -0.411 1
1 544 . 3 1 1 A 52 52 GLN CB C 52 29.636 30.906 -1.270 1
1 546 . 3 1 1 A 52 52 GLN N N 52 118.178 118.589 -0.411 1
1 548 . 3 1 1 A 53 53 HIS H H 53 8.395 7.848 0.547 1
1 549 . 3 1 1 A 53 53 HIS HA H 53 4.872 4.962 -0.090 1
1 554 . 3 1 1 A 53 53 HIS C C 53 173.260 174.495 -1.235 1
1 555 . 3 1 1 A 53 53 HIS CA C 53 54.036 53.124 0.912 1
1 556 . 3 1 1 A 53 53 HIS CB C 53 29.841 32.404 -2.563 1
1 559 . 3 1 1 A 53 53 HIS N N 53 121.522 118.549 2.973 1
1 562 . 3 1 1 A 54 54 PRO HA H 54 4.547 4.348 0.199 1
1 569 . 3 1 1 A 54 54 PRO C C 54 176.605 177.049 -0.444 1
1 570 . 3 1 1 A 54 54 PRO CA C 54 62.997 65.289 -2.292 1
1 571 . 3 1 1 A 54 54 PRO CB C 54 32.349 31.925 0.424 1
1 574 . 3 1 1 A 55 55 ASN H H 55 8.646 8.171 0.475 1
1 575 . 3 1 1 A 55 55 ASN HA H 55 4.969 4.483 0.486 1
1 580 . 3 1 1 A 55 55 ASN C C 55 171.312 175.925 -4.613 1
1 581 . 3 1 1 A 55 55 ASN CA C 55 50.412 53.623 -3.211 1
1 582 . 3 1 1 A 55 55 ASN CB C 55 39.150 36.912 2.238 1
1 583 . 3 1 1 A 55 55 ASN N N 55 119.583 113.922 5.661 1
1 585 . 3 1 1 A 56 56 PRO HA H 56 4.400 4.502 -0.102 1
1 592 . 3 1 1 A 56 56 PRO C C 56 176.686 176.412 0.274 1
1 593 . 3 1 1 A 56 56 PRO CA C 56 63.273 64.214 -0.941 1
1 594 . 3 1 1 A 56 56 PRO CB C 56 31.783 31.528 0.255 1
1 597 . 3 1 1 A 57 57 CYS H H 57 7.831 8.041 -0.210 1
1 598 . 3 1 1 A 57 57 CYS HA H 57 4.443 4.743 -0.300 1
1 601 . 3 1 1 A 57 57 CYS C C 57 173.881 172.138 1.743 1
1 602 . 3 1 1 A 57 57 CYS CA C 57 59.103 55.694 3.409 1
1 603 . 3 1 1 A 57 57 CYS CB C 57 32.909 42.389 -9.480 1
1 604 . 3 1 1 A 57 57 CYS N N 57 119.502 117.993 1.509 1
1 605 . 3 1 1 A 59 59 PRO HA H 59 4.385 4.290 0.095 1
1 612 . 3 1 1 A 59 59 PRO C C 59 177.996 177.246 0.750 1
1 613 . 3 1 1 A 59 59 PRO CA C 59 64.249 64.012 0.237 1
1 614 . 3 1 1 A 59 59 PRO CB C 59 31.776 31.462 0.314 1
1 617 . 3 1 1 A 60 60 GLY H H 60 8.761 8.825 -0.064 1
1 618 . 3 1 1 A 60 60 GLY HA2 H 60 4.302 3.757 0.545 1
1 619 . 3 1 1 A 60 60 GLY HA3 H 60 3.619 3.864 -0.245 1
1 620 . 3 1 1 A 60 60 GLY C C 60 173.861 172.762 1.099 1
1 621 . 3 1 1 A 60 60 GLY CA C 60 44.888 45.130 -0.242 1
1 622 . 3 1 1 A 60 60 GLY N N 60 112.485 112.633 -0.148 1
1 623 . 3 1 1 A 61 61 TYR H H 61 8.522 7.817 0.705 1
1 624 . 3 1 1 A 61 61 TYR HA H 61 5.083 5.171 -0.088 1
1 631 . 3 1 1 A 61 61 TYR C C 61 174.910 175.139 -0.229 1
1 632 . 3 1 1 A 61 61 TYR CA C 61 56.152 56.509 -0.357 1
1 633 . 3 1 1 A 61 61 TYR CB C 61 42.124 42.686 -0.562 1
1 638 . 3 1 1 A 61 61 TYR N N 61 118.801 118.624 0.177 1
1 639 . 3 1 1 A 62 62 GLU H H 62 9.129 9.342 -0.213 1
1 640 . 3 1 1 A 62 62 GLU HA H 62 4.962 5.134 -0.172 1
1 645 . 3 1 1 A 62 62 GLU C C 62 173.115 174.029 -0.914 1
1 646 . 3 1 1 A 62 62 GLU CA C 62 53.654 53.913 -0.259 1
1 647 . 3 1 1 A 62 62 GLU CB C 62 31.928 32.416 -0.488 1
1 649 . 3 1 1 A 62 62 GLU N N 62 118.016 121.456 -3.440 1
1 650 . 3 1 1 A 63 63 PRO HA H 63 4.743 4.862 -0.119 1
1 657 . 3 1 1 A 63 63 PRO C C 63 177.040 175.824 1.216 1
1 658 . 3 1 1 A 63 63 PRO CA C 63 63.759 62.431 1.328 1
1 659 . 3 1 1 A 63 63 PRO CB C 63 32.352 32.033 0.319 1
1 662 . 3 1 1 A 64 64 ASP H H 64 8.595 8.668 -0.073 1
1 663 . 3 1 1 A 64 64 ASP HA H 64 4.679 4.912 -0.233 1
1 666 . 3 1 1 A 64 64 ASP C C 64 175.960 175.262 0.698 1
1 667 . 3 1 1 A 64 64 ASP CA C 64 53.790 53.407 0.383 1
1 668 . 3 1 1 A 64 64 ASP CB C 64 42.611 42.586 0.025 1
1 669 . 3 1 1 A 64 64 ASP N N 64 122.807 122.296 0.511 1
1 670 . 3 1 1 A 65 65 ASP H H 65 8.437 8.688 -0.251 1
1 671 . 3 1 1 A 65 65 ASP HA H 65 4.701 4.938 -0.237 1
1 674 . 3 1 1 A 65 65 ASP C C 65 176.412 175.555 0.857 1
1 675 . 3 1 1 A 65 65 ASP CA C 65 54.043 54.309 -0.266 1
1 676 . 3 1 1 A 65 65 ASP CB C 65 41.279 41.471 -0.192 1
1 677 . 3 1 1 A 65 65 ASP N N 65 124.473 125.871 -1.398 1
1 678 . 3 1 1 A 66 66 GLN H H 66 8.316 8.482 -0.166 1
1 679 . 3 1 1 A 66 66 GLN HA H 66 4.290 4.732 -0.442 1
1 686 . 3 1 1 A 66 66 GLN C C 66 175.877 175.080 0.797 1
1 687 . 3 1 1 A 66 66 GLN CA C 66 55.992 55.141 0.851 1
1 688 . 3 1 1 A 66 66 GLN CB C 66 29.565 28.777 0.788 1
1 690 . 3 1 1 A 66 66 GLN N N 66 120.317 125.665 -5.348 1
1 692 . 3 1 1 A 67 67 ASP H H 67 8.438 8.858 -0.420 1
1 693 . 3 1 1 A 67 67 ASP HA H 67 4.619 4.542 0.077 1
1 696 . 3 1 1 A 67 67 ASP C C 67 176.300 176.251 0.049 1
1 697 . 3 1 1 A 67 67 ASP CA C 67 54.535 55.941 -1.406 1
1 698 . 3 1 1 A 67 67 ASP CB C 67 41.210 41.212 -0.002 1
1 699 . 3 1 1 A 67 67 ASP N N 67 121.942 125.575 -3.633 1
1 700 . 3 1 1 A 68 68 SER H H 68 8.274 7.968 0.306 1
1 701 . 3 1 1 A 68 68 SER HA H 68 4.476 4.159 0.317 1
1 704 . 3 1 1 A 68 68 SER C C 68 174.516 173.699 0.817 1
1 705 . 3 1 1 A 68 68 SER CA C 68 58.615 59.096 -0.481 1
1 706 . 3 1 1 A 68 68 SER CB C 68 63.911 61.596 2.315 1
1 707 . 3 1 1 A 68 68 SER N N 68 116.099 111.092 5.007 1
1 708 . 3 1 1 A 69 69 CYS H H 69 8.589 8.114 0.475 1
1 709 . 3 1 1 A 69 69 CYS HA H 69 4.719 4.278 0.441 1
1 712 . 3 1 1 A 69 69 CYS C C 69 174.437 174.532 -0.095 1
1 713 . 3 1 1 A 69 69 CYS CA C 69 55.620 57.385 -1.765 1
1 714 . 3 1 1 A 69 69 CYS CB C 69 40.727 41.900 -1.173 1
1 715 . 3 1 1 A 69 69 CYS N N 69 120.951 123.397 -2.446 1
1 716 . 3 1 1 A 70 70 VAL H H 70 8.150 8.532 -0.382 1
1 717 . 3 1 1 A 70 70 VAL HA H 70 4.193 3.928 0.265 1
1 725 . 3 1 1 A 70 70 VAL C C 70 174.771 174.367 0.404 1
1 726 . 3 1 1 A 70 70 VAL CA C 70 62.021 62.369 -0.348 1
1 727 . 3 1 1 A 70 70 VAL CB C 70 33.168 30.247 2.921 1
1 730 . 3 1 1 A 70 70 VAL N N 70 120.979 121.647 -0.668 1
1 2 . 4 1 1 A 2 2 ASP H H 2 8.270 8.857 -0.587 1
1 3 . 4 1 1 A 2 2 ASP HA H 2 4.706 4.733 -0.027 1
1 6 . 4 1 1 A 2 2 ASP C C 2 176.240 175.771 0.469 1
1 7 . 4 1 1 A 2 2 ASP CA C 2 54.448 55.331 -0.883 1
1 8 . 4 1 1 A 2 2 ASP CB C 2 41.396 42.206 -0.810 1
1 9 . 4 1 1 A 2 2 ASP N N 2 116.604 127.528 -10.924 1
1 10 . 4 1 1 A 3 3 VAL H H 3 8.197 8.084 0.113 1
1 11 . 4 1 1 A 3 3 VAL HA H 3 4.090 4.630 -0.540 1
1 19 . 4 1 1 A 3 3 VAL C C 3 175.880 174.082 1.798 1
1 20 . 4 1 1 A 3 3 VAL CA C 3 62.509 60.168 2.341 1
1 21 . 4 1 1 A 3 3 VAL CB C 3 32.701 34.271 -1.570 1
1 24 . 4 1 1 A 3 3 VAL N N 3 119.871 116.081 3.790 1
1 25 . 4 1 1 A 4 4 ASN H H 4 8.502 8.993 -0.491 1
1 26 . 4 1 1 A 4 4 ASN HA H 4 4.700 5.386 -0.686 1
1 31 . 4 1 1 A 4 4 ASN C C 4 175.378 173.864 1.514 1
1 32 . 4 1 1 A 4 4 ASN CA C 4 53.427 51.722 1.705 1
1 33 . 4 1 1 A 4 4 ASN CB C 4 39.212 39.663 -0.451 1
1 34 . 4 1 1 A 4 4 ASN N N 4 121.932 126.447 -4.515 1
1 36 . 4 1 1 A 5 5 GLU H H 5 8.453 8.848 -0.395 1
1 37 . 4 1 1 A 5 5 GLU HA H 5 4.281 4.550 -0.269 1
1 42 . 4 1 1 A 5 5 GLU C C 5 176.502 176.145 0.357 1
1 43 . 4 1 1 A 5 5 GLU CA C 5 56.925 54.897 2.028 1
1 44 . 4 1 1 A 5 5 GLU CB C 5 30.226 27.798 2.428 1
1 46 . 4 1 1 A 5 5 GLU N N 5 122.108 123.643 -1.535 1
1 47 . 4 1 1 A 6 6 CYS H H 6 8.519 8.304 0.215 1
1 48 . 4 1 1 A 6 6 CYS HA H 6 4.605 4.370 0.235 1
1 51 . 4 1 1 A 6 6 CYS C C 6 174.876 174.333 0.543 1
1 52 . 4 1 1 A 6 6 CYS CA C 6 56.068 59.327 -3.259 1
1 53 . 4 1 1 A 6 6 CYS CB C 6 40.544 39.758 0.786 1
1 54 . 4 1 1 A 6 6 CYS N N 6 119.657 116.937 2.720 1
1 55 . 4 1 1 A 7 7 LEU H H 7 8.372 8.352 0.020 1
1 56 . 4 1 1 A 7 7 LEU HA H 7 4.361 4.361 0.000 1
1 66 . 4 1 1 A 7 7 LEU C C 7 177.534 176.776 0.758 1
1 67 . 4 1 1 A 7 7 LEU CA C 7 55.778 54.548 1.230 1
1 68 . 4 1 1 A 7 7 LEU CB C 7 42.554 41.358 1.196 1
1 72 . 4 1 1 A 7 7 LEU N N 7 123.198 116.453 6.745 1
1 73 . 4 1 1 A 8 8 THR H H 8 8.018 7.511 0.507 1
1 74 . 4 1 1 A 8 8 THR HA H 8 4.332 4.177 0.155 1
1 79 . 4 1 1 A 8 8 THR C C 8 174.296 174.849 -0.553 1
1 80 . 4 1 1 A 8 8 THR CA C 8 61.745 63.140 -1.395 1
1 81 . 4 1 1 A 8 8 THR CB C 8 69.529 69.922 -0.393 1
1 83 . 4 1 1 A 8 8 THR N N 8 113.232 115.666 -2.434 1
1 84 . 4 1 1 A 9 9 ILE H H 9 7.827 8.401 -0.574 1
1 85 . 4 1 1 A 9 9 ILE HA H 9 4.472 4.277 0.195 1
1 95 . 4 1 1 A 9 9 ILE C C 9 174.443 175.384 -0.941 1
1 96 . 4 1 1 A 9 9 ILE CA C 9 58.355 59.889 -1.534 1
1 97 . 4 1 1 A 9 9 ILE CB C 9 38.496 37.910 0.586 1
1 101 . 4 1 1 A 9 9 ILE N N 9 123.285 126.689 -3.404 1
1 102 . 4 1 1 A 10 10 PRO HA H 10 4.351 4.610 -0.259 1
1 109 . 4 1 1 A 10 10 PRO C C 10 177.207 176.275 0.932 1
1 110 . 4 1 1 A 10 10 PRO CA C 10 63.599 62.345 1.254 1
1 111 . 4 1 1 A 10 10 PRO CB C 10 31.965 29.012 2.953 1
1 114 . 4 1 1 A 11 11 GLU H H 11 8.555 8.980 -0.425 1
1 115 . 4 1 1 A 11 11 GLU HA H 11 4.053 4.325 -0.272 1
1 120 . 4 1 1 A 11 11 GLU C C 11 176.353 176.052 0.301 1
1 121 . 4 1 1 A 11 11 GLU CA C 11 56.955 56.505 0.450 1
1 122 . 4 1 1 A 11 11 GLU CB C 11 29.589 30.211 -0.622 1
1 124 . 4 1 1 A 11 11 GLU N N 11 120.562 121.864 -1.302 1
1 125 . 4 1 1 A 12 12 ALA H H 12 8.089 7.626 0.463 1
1 126 . 4 1 1 A 12 12 ALA HA H 12 4.233 5.098 -0.865 1
1 130 . 4 1 1 A 12 12 ALA C C 12 178.135 176.080 2.055 1
1 131 . 4 1 1 A 12 12 ALA CA C 12 53.092 50.687 2.405 1
1 132 . 4 1 1 A 12 12 ALA CB C 12 19.570 23.183 -3.613 1
1 133 . 4 1 1 A 12 12 ALA N N 12 123.927 119.919 4.008 1
1 134 . 4 1 1 A 13 13 CYS H H 13 8.725 8.632 0.093 1
1 135 . 4 1 1 A 13 13 CYS HA H 13 4.816 5.219 -0.403 1
1 138 . 4 1 1 A 13 13 CYS C C 13 175.490 173.356 2.134 1
1 139 . 4 1 1 A 13 13 CYS CA C 13 52.752 54.824 -2.072 1
1 140 . 4 1 1 A 13 13 CYS CB C 13 36.168 43.232 -7.064 1
1 141 . 4 1 1 A 13 13 CYS N N 13 114.120 117.304 -3.184 1
1 142 . 4 1 1 A 14 14 LYS H H 14 8.246 8.704 -0.458 1
1 143 . 4 1 1 A 14 14 LYS HA H 14 4.027 4.017 0.010 1
1 152 . 4 1 1 A 14 14 LYS C C 14 177.863 177.540 0.323 1
1 153 . 4 1 1 A 14 14 LYS CA C 14 58.289 58.134 0.155 1
1 154 . 4 1 1 A 14 14 LYS CB C 14 31.489 32.249 -0.760 1
1 158 . 4 1 1 A 14 14 LYS N N 14 121.767 125.761 -3.994 1
1 159 . 4 1 1 A 15 15 GLY H H 15 8.979 8.828 0.151 1
1 160 . 4 1 1 A 15 15 GLY HA2 H 15 4.161 3.926 0.235 1
1 161 . 4 1 1 A 15 15 GLY HA3 H 15 3.765 3.926 -0.161 1
1 162 . 4 1 1 A 15 15 GLY C C 15 173.903 173.606 0.297 1
1 163 . 4 1 1 A 15 15 GLY CA C 15 45.603 45.553 0.050 1
1 164 . 4 1 1 A 15 15 GLY N N 15 113.508 114.366 -0.858 1
1 165 . 4 1 1 A 16 16 GLU H H 16 8.027 7.580 0.447 1
1 166 . 4 1 1 A 16 16 GLU HA H 16 4.555 4.897 -0.342 1
1 171 . 4 1 1 A 16 16 GLU C C 16 174.310 175.020 -0.710 1
1 172 . 4 1 1 A 16 16 GLU CA C 16 55.213 54.367 0.846 1
1 173 . 4 1 1 A 16 16 GLU CB C 16 31.839 33.654 -1.815 1
1 175 . 4 1 1 A 16 16 GLU N N 16 120.692 119.498 1.194 1
1 176 . 4 1 1 A 17 17 MET H H 17 8.943 8.857 0.086 1
1 177 . 4 1 1 A 17 17 MET HA H 17 4.584 4.973 -0.389 1
1 185 . 4 1 1 A 17 17 MET C C 17 173.801 175.481 -1.680 1
1 186 . 4 1 1 A 17 17 MET CA C 17 55.183 54.240 0.943 1
1 187 . 4 1 1 A 17 17 MET CB C 17 34.221 33.413 0.808 1
1 190 . 4 1 1 A 17 17 MET N N 17 120.713 120.222 0.491 1
1 191 . 4 1 1 A 18 18 LYS H H 18 8.789 8.570 0.219 1
1 192 . 4 1 1 A 18 18 LYS HA H 18 5.083 4.650 0.433 1
1 201 . 4 1 1 A 18 18 LYS C C 18 175.138 174.657 0.481 1
1 202 . 4 1 1 A 18 18 LYS CA C 18 55.726 55.176 0.550 1
1 203 . 4 1 1 A 18 18 LYS CB C 18 35.053 33.401 1.652 1
1 207 . 4 1 1 A 18 18 LYS N N 18 127.261 122.927 4.334 1
1 208 . 4 1 1 A 19 19 CYS H H 19 9.132 9.168 -0.036 1
1 209 . 4 1 1 A 19 19 CYS HA H 19 5.273 5.357 -0.084 1
1 212 . 4 1 1 A 19 19 CYS C C 19 174.193 173.178 1.015 1
1 213 . 4 1 1 A 19 19 CYS CA C 19 54.753 54.583 0.170 1
1 214 . 4 1 1 A 19 19 CYS CB C 19 43.915 43.684 0.231 1
1 215 . 4 1 1 A 19 19 CYS N N 19 126.193 125.048 1.145 1
1 216 . 4 1 1 A 20 20 ILE H H 20 10.001 8.938 1.063 1
1 217 . 4 1 1 A 20 20 ILE HA H 20 5.483 5.997 -0.514 1
1 227 . 4 1 1 A 20 20 ILE C C 20 176.355 174.767 1.588 1
1 228 . 4 1 1 A 20 20 ILE CA C 20 59.977 59.075 0.902 1
1 229 . 4 1 1 A 20 20 ILE CB C 20 42.458 42.496 -0.038 1
1 233 . 4 1 1 A 20 20 ILE N N 20 119.415 119.900 -0.485 1
1 234 . 4 1 1 A 21 21 ASN H H 21 8.092 8.013 0.079 1
1 235 . 4 1 1 A 21 21 ASN HA H 21 4.906 5.123 -0.217 1
1 240 . 4 1 1 A 21 21 ASN CA C 21 50.729 50.930 -0.201 1
1 241 . 4 1 1 A 21 21 ASN CB C 21 38.492 40.502 -2.010 1
1 245 . 4 1 1 A 22 22 HIS C C 22 174.724 177.315 -2.591 1
1 250 . 4 1 1 A 23 23 TYR H H 23 7.932 8.040 -0.108 1
1 251 . 4 1 1 A 23 23 TYR HA H 23 4.785 4.327 0.458 1
1 258 . 4 1 1 A 23 23 TYR C C 23 176.186 175.844 0.342 1
1 259 . 4 1 1 A 23 23 TYR CA C 23 56.891 60.917 -4.026 1
1 260 . 4 1 1 A 23 23 TYR CB C 23 38.509 39.075 -0.566 1
1 265 . 4 1 1 A 23 23 TYR N N 23 117.160 120.294 -3.134 1
1 266 . 4 1 1 A 24 24 GLY HA2 H 24 4.411 3.927 0.484 1
1 267 . 4 1 1 A 24 24 GLY HA3 H 24 3.674 4.035 -0.361 1
1 268 . 4 1 1 A 24 24 GLY C C 24 174.895 175.028 -0.133 1
1 269 . 4 1 1 A 24 24 GLY CA C 24 45.377 44.973 0.404 1
1 270 . 4 1 1 A 25 25 GLY H H 25 8.418 8.503 -0.085 1
1 271 . 4 1 1 A 25 25 GLY HA2 H 25 4.461 4.140 0.321 1
1 272 . 4 1 1 A 25 25 GLY HA3 H 25 3.737 4.240 -0.503 1
1 273 . 4 1 1 A 25 25 GLY C C 25 172.832 171.986 0.846 1
1 274 . 4 1 1 A 25 25 GLY CA C 25 44.602 45.895 -1.293 1
1 275 . 4 1 1 A 25 25 GLY N N 25 110.337 108.788 1.549 1
1 276 . 4 1 1 A 26 26 TYR H H 26 8.256 8.862 -0.606 1
1 277 . 4 1 1 A 26 26 TYR HA H 26 6.053 5.330 0.723 1
1 284 . 4 1 1 A 26 26 TYR C C 26 173.625 174.386 -0.761 1
1 285 . 4 1 1 A 26 26 TYR CA C 26 55.921 56.576 -0.655 1
1 286 . 4 1 1 A 26 26 TYR CB C 26 42.690 41.602 1.088 1
1 291 . 4 1 1 A 26 26 TYR N N 26 116.601 126.201 -9.600 1
1 292 . 4 1 1 A 27 27 LEU H H 27 9.227 8.911 0.316 1
1 293 . 4 1 1 A 27 27 LEU HA H 27 4.437 4.756 -0.319 1
1 303 . 4 1 1 A 27 27 LEU C C 27 175.019 175.485 -0.466 1
1 304 . 4 1 1 A 27 27 LEU CA C 27 53.999 53.152 0.847 1
1 305 . 4 1 1 A 27 27 LEU CB C 27 46.334 45.467 0.867 1
1 309 . 4 1 1 A 27 27 LEU N N 27 121.005 127.290 -6.285 1
1 310 . 4 1 1 A 28 28 CYS H H 28 8.801 8.742 0.059 1
1 311 . 4 1 1 A 28 28 CYS HA H 28 5.730 5.611 0.119 1
1 314 . 4 1 1 A 28 28 CYS C C 28 174.452 172.490 1.962 1
1 315 . 4 1 1 A 28 28 CYS CA C 28 51.978 54.298 -2.320 1
1 316 . 4 1 1 A 28 28 CYS CB C 28 37.734 44.461 -6.727 1
1 317 . 4 1 1 A 28 28 CYS N N 28 120.613 120.500 0.113 1
1 318 . 4 1 1 A 29 29 LEU H H 29 9.371 8.928 0.443 1
1 319 . 4 1 1 A 29 29 LEU HA H 29 4.891 4.722 0.169 1
1 329 . 4 1 1 A 29 29 LEU C C 29 173.339 174.449 -1.110 1
1 330 . 4 1 1 A 29 29 LEU CA C 29 51.743 51.623 0.120 1
1 331 . 4 1 1 A 29 29 LEU CB C 29 44.633 44.013 0.620 1
1 335 . 4 1 1 A 29 29 LEU N N 29 127.550 127.104 0.446 1
1 336 . 4 1 1 A 30 30 PRO HA H 30 4.478 4.550 -0.072 1
1 343 . 4 1 1 A 30 30 PRO C C 30 177.206 177.402 -0.196 1
1 344 . 4 1 1 A 30 30 PRO CA C 30 62.730 62.816 -0.086 1
1 345 . 4 1 1 A 30 30 PRO CB C 30 31.984 32.623 -0.639 1
1 348 . 4 1 1 A 31 31 ARG H H 31 8.856 8.982 -0.126 1
1 349 . 4 1 1 A 31 31 ARG HA H 31 4.189 4.120 0.069 1
1 357 . 4 1 1 A 31 31 ARG C C 31 176.891 178.205 -1.314 1
1 358 . 4 1 1 A 31 31 ARG CA C 31 56.964 58.330 -1.366 1
1 359 . 4 1 1 A 31 31 ARG CB C 31 30.633 29.954 0.679 1
1 362 . 4 1 1 A 31 31 ARG N N 31 121.660 124.583 -2.923 1
1 364 . 4 1 1 A 32 32 SER H H 32 8.318 7.791 0.527 1
1 365 . 4 1 1 A 32 32 SER HA H 32 4.389 4.300 0.089 1
1 368 . 4 1 1 A 32 32 SER C C 32 174.251 174.509 -0.258 1
1 369 . 4 1 1 A 32 32 SER CA C 32 58.238 61.201 -2.963 1
1 370 . 4 1 1 A 32 32 SER CB C 32 63.821 62.846 0.975 1
1 371 . 4 1 1 A 32 32 SER N N 32 116.432 112.601 3.831 1
1 372 . 4 1 1 A 33 33 ALA H H 33 8.353 7.302 1.051 1
1 373 . 4 1 1 A 33 33 ALA HA H 33 4.307 4.428 -0.121 1
1 377 . 4 1 1 A 33 33 ALA C C 33 177.290 176.943 0.347 1
1 378 . 4 1 1 A 33 33 ALA CA C 33 52.515 51.035 1.480 1
1 379 . 4 1 1 A 33 33 ALA CB C 33 19.358 20.452 -1.094 1
1 380 . 4 1 1 A 33 33 ALA N N 33 126.203 123.678 2.525 1
1 381 . 4 1 1 A 34 34 ALA H H 34 8.178 8.904 -0.726 1
1 382 . 4 1 1 A 34 34 ALA HA H 34 4.280 4.527 -0.247 1
1 386 . 4 1 1 A 34 34 ALA C C 34 177.519 178.956 -1.437 1
1 387 . 4 1 1 A 34 34 ALA CA C 34 52.480 51.469 1.011 1
1 388 . 4 1 1 A 34 34 ALA CB C 34 19.250 19.868 -0.618 1
1 389 . 4 1 1 A 34 34 ALA N N 34 123.091 124.293 -1.202 1
1 390 . 4 1 1 A 35 35 VAL H H 35 8.083 8.717 -0.634 1
1 391 . 4 1 1 A 35 35 VAL HA H 35 4.060 4.189 -0.129 1
1 399 . 4 1 1 A 35 35 VAL C C 35 176.050 176.303 -0.253 1
1 400 . 4 1 1 A 35 35 VAL CA C 35 62.297 63.225 -0.928 1
1 401 . 4 1 1 A 35 35 VAL CB C 35 32.695 32.075 0.620 1
1 404 . 4 1 1 A 35 35 VAL N N 35 120.060 118.986 1.074 1
1 405 . 4 1 1 A 36 36 ILE H H 36 8.264 7.466 0.798 1
1 406 . 4 1 1 A 36 36 ILE HA H 36 4.141 4.242 -0.101 1
1 416 . 4 1 1 A 36 36 ILE C C 36 175.848 175.396 0.452 1
1 417 . 4 1 1 A 36 36 ILE CA C 36 60.924 59.851 1.073 1
1 418 . 4 1 1 A 36 36 ILE CB C 36 38.614 39.933 -1.319 1
1 422 . 4 1 1 A 36 36 ILE N N 36 125.147 119.464 5.683 1
1 423 . 4 1 1 A 37 37 ASN H H 37 8.501 8.629 -0.128 1
1 424 . 4 1 1 A 37 37 ASN HA H 37 4.702 5.130 -0.428 1
1 429 . 4 1 1 A 37 37 ASN C C 37 174.609 174.541 0.068 1
1 430 . 4 1 1 A 37 37 ASN CA C 37 53.143 52.355 0.788 1
1 431 . 4 1 1 A 37 37 ASN CB C 37 38.957 39.236 -0.279 1
1 432 . 4 1 1 A 37 37 ASN N N 37 123.292 119.536 3.756 1
1 434 . 4 1 1 A 38 38 ASP H H 38 8.326 8.648 -0.322 1
1 435 . 4 1 1 A 38 38 ASP HA H 38 4.562 5.025 -0.463 1
1 438 . 4 1 1 A 38 38 ASP C C 38 176.188 176.076 0.112 1
1 439 . 4 1 1 A 38 38 ASP CA C 38 54.218 53.556 0.662 1
1 440 . 4 1 1 A 38 38 ASP CB C 38 41.133 41.322 -0.189 1
1 441 . 4 1 1 A 38 38 ASP N N 38 121.317 124.085 -2.768 1
1 442 . 4 1 1 A 39 39 LEU H H 39 8.188 7.535 0.653 1
1 443 . 4 1 1 A 39 39 LEU HA H 39 4.242 4.547 -0.305 1
1 453 . 4 1 1 A 39 39 LEU C C 39 177.515 176.958 0.557 1
1 454 . 4 1 1 A 39 39 LEU CA C 39 55.501 54.609 0.892 1
1 455 . 4 1 1 A 39 39 LEU CB C 39 42.030 40.086 1.944 1
1 459 . 4 1 1 A 39 39 LEU N N 39 122.367 121.652 0.715 1
1 460 . 4 1 1 A 40 40 HIS H H 40 8.418 8.745 -0.327 1
1 461 . 4 1 1 A 40 40 HIS HA H 40 4.636 4.625 0.011 1
1 466 . 4 1 1 A 40 40 HIS C C 40 175.495 175.332 0.163 1
1 467 . 4 1 1 A 40 40 HIS CA C 40 55.920 57.376 -1.456 1
1 468 . 4 1 1 A 40 40 HIS CB C 40 29.633 31.313 -1.680 1
1 471 . 4 1 1 A 40 40 HIS N N 40 118.989 125.263 -6.274 1
1 474 . 4 1 1 A 41 41 GLY H H 41 8.258 8.221 0.037 1
1 475 . 4 1 1 A 41 41 GLY HA2 H 41 3.969 3.752 0.217 1
1 476 . 4 1 1 A 41 41 GLY HA3 H 41 3.952 3.798 0.154 1
1 477 . 4 1 1 A 41 41 GLY C C 41 174.007 174.927 -0.920 1
1 478 . 4 1 1 A 41 41 GLY CA C 41 45.363 46.634 -1.271 1
1 479 . 4 1 1 A 41 41 GLY N N 41 109.714 107.217 2.497 1
1 480 . 4 1 1 A 42 42 GLU H H 42 8.406 8.664 -0.258 1
1 481 . 4 1 1 A 42 42 GLU HA H 42 4.378 4.391 -0.013 1
1 486 . 4 1 1 A 42 42 GLU C C 42 176.668 176.319 0.349 1
1 487 . 4 1 1 A 42 42 GLU CA C 42 56.278 56.075 0.203 1
1 488 . 4 1 1 A 42 42 GLU CB C 42 30.473 30.528 -0.055 1
1 490 . 4 1 1 A 42 42 GLU N N 42 120.561 125.745 -5.184 1
1 491 . 4 1 1 A 43 43 GLY H H 43 8.284 6.829 1.455 1
1 492 . 4 1 1 A 43 43 GLY HA2 H 43 4.100 3.946 0.154 1
1 493 . 4 1 1 A 43 43 GLY HA3 H 43 4.099 4.007 0.092 1
1 494 . 4 1 1 A 43 43 GLY C C 43 171.027 171.806 -0.779 1
1 495 . 4 1 1 A 43 43 GLY CA C 43 44.399 45.826 -1.427 1
1 496 . 4 1 1 A 43 43 GLY N N 43 110.014 106.344 3.670 1
1 498 . 4 1 1 A 47 47 PRO C C 47 176.172 176.470 -0.298 1
1 499 . 4 1 1 A 47 47 PRO CB C 47 32.134 31.802 0.332 1
1 500 . 4 1 1 A 48 48 VAL H H 48 8.585 7.589 0.996 1
1 501 . 4 1 1 A 48 48 VAL HA H 48 4.438 4.488 -0.050 1
1 508 . 4 1 1 A 48 48 VAL C C 48 174.309 174.336 -0.027 1
1 509 . 4 1 1 A 48 48 VAL CA C 48 59.190 59.435 -0.245 1
1 512 . 4 1 1 A 48 48 VAL N N 48 125.965 117.935 8.030 1
1 513 . 4 1 1 A 50 50 PRO HA H 50 4.353 4.445 -0.092 1
1 520 . 4 1 1 A 50 50 PRO C C 50 176.824 177.590 -0.766 1
1 521 . 4 1 1 A 50 50 PRO CA C 50 63.194 64.546 -1.352 1
1 522 . 4 1 1 A 50 50 PRO CB C 50 32.006 31.965 0.041 1
1 525 . 4 1 1 A 51 51 ALA H H 51 8.301 7.686 0.615 1
1 526 . 4 1 1 A 51 51 ALA HA H 51 4.241 4.252 -0.011 1
1 530 . 4 1 1 A 51 51 ALA C C 51 177.617 177.865 -0.248 1
1 531 . 4 1 1 A 51 51 ALA CA C 51 52.717 55.074 -2.357 1
1 532 . 4 1 1 A 51 51 ALA CB C 51 19.211 19.725 -0.514 1
1 533 . 4 1 1 A 51 51 ALA N N 51 122.996 118.494 4.502 1
1 534 . 4 1 1 A 52 52 GLN H H 52 8.165 8.107 0.058 1
1 535 . 4 1 1 A 52 52 GLN HA H 52 4.266 3.863 0.403 1
1 542 . 4 1 1 A 52 52 GLN C C 52 175.394 174.020 1.374 1
1 543 . 4 1 1 A 52 52 GLN CA C 52 55.582 57.092 -1.510 1
1 544 . 4 1 1 A 52 52 GLN CB C 52 29.636 27.737 1.899 1
1 546 . 4 1 1 A 52 52 GLN N N 52 118.178 117.220 0.958 1
1 548 . 4 1 1 A 53 53 HIS H H 53 8.395 7.849 0.546 1
1 549 . 4 1 1 A 53 53 HIS HA H 53 4.872 5.048 -0.176 1
1 554 . 4 1 1 A 53 53 HIS C C 53 173.260 174.891 -1.631 1
1 555 . 4 1 1 A 53 53 HIS CA C 53 54.036 53.656 0.380 1
1 556 . 4 1 1 A 53 53 HIS CB C 53 29.841 33.374 -3.533 1
1 559 . 4 1 1 A 53 53 HIS N N 53 121.522 117.317 4.205 1
1 562 . 4 1 1 A 54 54 PRO HA H 54 4.547 4.261 0.286 1
1 569 . 4 1 1 A 54 54 PRO C C 54 176.605 176.818 -0.213 1
1 570 . 4 1 1 A 54 54 PRO CA C 54 62.997 64.647 -1.650 1
1 571 . 4 1 1 A 54 54 PRO CB C 54 32.349 31.914 0.435 1
1 574 . 4 1 1 A 55 55 ASN H H 55 8.646 8.161 0.485 1
1 575 . 4 1 1 A 55 55 ASN HA H 55 4.969 4.411 0.558 1
1 580 . 4 1 1 A 55 55 ASN C C 55 171.312 175.996 -4.684 1
1 581 . 4 1 1 A 55 55 ASN CA C 55 50.412 53.601 -3.189 1
1 582 . 4 1 1 A 55 55 ASN CB C 55 39.150 36.901 2.249 1
1 583 . 4 1 1 A 55 55 ASN N N 55 119.583 114.186 5.397 1
1 585 . 4 1 1 A 56 56 PRO HA H 56 4.400 4.421 -0.021 1
1 592 . 4 1 1 A 56 56 PRO C C 56 176.686 176.374 0.312 1
1 593 . 4 1 1 A 56 56 PRO CA C 56 63.273 64.240 -0.967 1
1 594 . 4 1 1 A 56 56 PRO CB C 56 31.783 31.516 0.267 1
1 597 . 4 1 1 A 57 57 CYS H H 57 7.831 8.027 -0.196 1
1 598 . 4 1 1 A 57 57 CYS HA H 57 4.443 4.718 -0.275 1
1 601 . 4 1 1 A 57 57 CYS C C 57 173.881 172.117 1.764 1
1 602 . 4 1 1 A 57 57 CYS CA C 57 59.103 55.672 3.431 1
1 603 . 4 1 1 A 57 57 CYS CB C 57 32.909 42.490 -9.581 1
1 604 . 4 1 1 A 57 57 CYS N N 57 119.502 118.210 1.292 1
1 605 . 4 1 1 A 59 59 PRO HA H 59 4.385 4.290 0.095 1
1 612 . 4 1 1 A 59 59 PRO C C 59 177.996 177.408 0.588 1
1 613 . 4 1 1 A 59 59 PRO CA C 59 64.249 64.010 0.239 1
1 614 . 4 1 1 A 59 59 PRO CB C 59 31.776 31.460 0.316 1
1 617 . 4 1 1 A 60 60 GLY H H 60 8.761 8.905 -0.144 1
1 618 . 4 1 1 A 60 60 GLY HA2 H 60 4.302 3.804 0.498 1
1 619 . 4 1 1 A 60 60 GLY HA3 H 60 3.619 3.849 -0.230 1
1 620 . 4 1 1 A 60 60 GLY C C 60 173.861 174.121 -0.260 1
1 621 . 4 1 1 A 60 60 GLY CA C 60 44.888 45.176 -0.288 1
1 622 . 4 1 1 A 60 60 GLY N N 60 112.485 112.823 -0.338 1
1 623 . 4 1 1 A 61 61 TYR H H 61 8.522 8.135 0.387 1
1 624 . 4 1 1 A 61 61 TYR HA H 61 5.083 4.539 0.544 1
1 631 . 4 1 1 A 61 61 TYR C C 61 174.910 175.572 -0.662 1
1 632 . 4 1 1 A 61 61 TYR CA C 61 56.152 58.355 -2.203 1
1 633 . 4 1 1 A 61 61 TYR CB C 61 42.124 39.167 2.957 1
1 638 . 4 1 1 A 61 61 TYR N N 61 118.801 120.107 -1.306 1
1 639 . 4 1 1 A 62 62 GLU H H 62 9.129 9.459 -0.330 1
1 640 . 4 1 1 A 62 62 GLU HA H 62 4.962 5.040 -0.078 1
1 645 . 4 1 1 A 62 62 GLU C C 62 173.115 174.078 -0.963 1
1 646 . 4 1 1 A 62 62 GLU CA C 62 53.654 54.000 -0.346 1
1 647 . 4 1 1 A 62 62 GLU CB C 62 31.928 32.403 -0.475 1
1 649 . 4 1 1 A 62 62 GLU N N 62 118.016 121.581 -3.565 1
1 650 . 4 1 1 A 63 63 PRO HA H 63 4.743 4.748 -0.005 1
1 657 . 4 1 1 A 63 63 PRO C C 63 177.040 175.780 1.260 1
1 658 . 4 1 1 A 63 63 PRO CA C 63 63.759 62.632 1.127 1
1 659 . 4 1 1 A 63 63 PRO CB C 63 32.352 31.864 0.488 1
1 662 . 4 1 1 A 64 64 ASP H H 64 8.595 8.596 -0.001 1
1 663 . 4 1 1 A 64 64 ASP HA H 64 4.679 4.897 -0.218 1
1 666 . 4 1 1 A 64 64 ASP C C 64 175.960 174.738 1.222 1
1 667 . 4 1 1 A 64 64 ASP CA C 64 53.790 53.255 0.535 1
1 668 . 4 1 1 A 64 64 ASP CB C 64 42.611 42.618 -0.007 1
1 669 . 4 1 1 A 64 64 ASP N N 64 122.807 122.500 0.307 1
1 670 . 4 1 1 A 65 65 ASP H H 65 8.437 8.832 -0.395 1
1 671 . 4 1 1 A 65 65 ASP HA H 65 4.701 4.957 -0.256 1
1 674 . 4 1 1 A 65 65 ASP C C 65 176.412 175.601 0.811 1
1 675 . 4 1 1 A 65 65 ASP CA C 65 54.043 53.615 0.428 1
1 676 . 4 1 1 A 65 65 ASP CB C 65 41.279 41.670 -0.391 1
1 677 . 4 1 1 A 65 65 ASP N N 65 124.473 125.980 -1.507 1
1 678 . 4 1 1 A 66 66 GLN H H 66 8.316 8.922 -0.606 1
1 679 . 4 1 1 A 66 66 GLN HA H 66 4.290 4.977 -0.687 1
1 686 . 4 1 1 A 66 66 GLN C C 66 175.877 174.158 1.719 1
1 687 . 4 1 1 A 66 66 GLN CA C 66 55.992 54.381 1.611 1
1 688 . 4 1 1 A 66 66 GLN CB C 66 29.565 31.756 -2.191 1
1 690 . 4 1 1 A 66 66 GLN N N 66 120.317 122.835 -2.518 1
1 692 . 4 1 1 A 67 67 ASP H H 67 8.438 8.569 -0.131 1
1 693 . 4 1 1 A 67 67 ASP HA H 67 4.619 5.273 -0.654 1
1 696 . 4 1 1 A 67 67 ASP C C 67 176.300 175.862 0.438 1
1 697 . 4 1 1 A 67 67 ASP CA C 67 54.535 52.693 1.842 1
1 698 . 4 1 1 A 67 67 ASP CB C 67 41.210 41.803 -0.593 1
1 699 . 4 1 1 A 67 67 ASP N N 67 121.942 121.844 0.098 1
1 700 . 4 1 1 A 68 68 SER H H 68 8.274 8.976 -0.702 1
1 701 . 4 1 1 A 68 68 SER HA H 68 4.476 4.095 0.381 1
1 704 . 4 1 1 A 68 68 SER C C 68 174.516 174.254 0.262 1
1 705 . 4 1 1 A 68 68 SER CA C 68 58.615 59.953 -1.338 1
1 706 . 4 1 1 A 68 68 SER CB C 68 63.911 63.587 0.324 1
1 707 . 4 1 1 A 68 68 SER N N 68 116.099 118.388 -2.289 1
1 708 . 4 1 1 A 69 69 CYS H H 69 8.589 8.020 0.569 1
1 709 . 4 1 1 A 69 69 CYS HA H 69 4.719 4.326 0.393 1
1 712 . 4 1 1 A 69 69 CYS C C 69 174.437 172.546 1.891 1
1 713 . 4 1 1 A 69 69 CYS CA C 69 55.620 57.854 -2.234 1
1 714 . 4 1 1 A 69 69 CYS CB C 69 40.727 41.156 -0.429 1
1 715 . 4 1 1 A 69 69 CYS N N 69 120.951 117.814 3.137 1
1 716 . 4 1 1 A 70 70 VAL H H 70 8.150 7.745 0.405 1
1 717 . 4 1 1 A 70 70 VAL HA H 70 4.193 4.317 -0.124 1
1 725 . 4 1 1 A 70 70 VAL C C 70 174.771 174.908 -0.137 1
1 726 . 4 1 1 A 70 70 VAL CA C 70 62.021 60.927 1.094 1
1 727 . 4 1 1 A 70 70 VAL CB C 70 33.168 33.748 -0.580 1
1 730 . 4 1 1 A 70 70 VAL N N 70 120.979 120.797 0.182 1
1 2 . 5 1 1 A 2 2 ASP H H 2 8.270 7.977 0.293 1
1 3 . 5 1 1 A 2 2 ASP HA H 2 4.706 4.488 0.218 1
1 6 . 5 1 1 A 2 2 ASP C C 2 176.240 176.585 -0.345 1
1 7 . 5 1 1 A 2 2 ASP CA C 2 54.448 57.177 -2.729 1
1 8 . 5 1 1 A 2 2 ASP CB C 2 41.396 41.118 0.278 1
1 9 . 5 1 1 A 2 2 ASP N N 2 116.604 120.721 -4.117 1
1 10 . 5 1 1 A 3 3 VAL H H 3 8.197 7.678 0.519 1
1 11 . 5 1 1 A 3 3 VAL HA H 3 4.090 5.009 -0.919 1
1 19 . 5 1 1 A 3 3 VAL C C 3 175.880 174.593 1.287 1
1 20 . 5 1 1 A 3 3 VAL CA C 3 62.509 59.328 3.181 1
1 21 . 5 1 1 A 3 3 VAL CB C 3 32.701 35.528 -2.827 1
1 24 . 5 1 1 A 3 3 VAL N N 3 119.871 112.727 7.144 1
1 25 . 5 1 1 A 4 4 ASN H H 4 8.502 8.900 -0.398 1
1 26 . 5 1 1 A 4 4 ASN HA H 4 4.700 5.348 -0.648 1
1 31 . 5 1 1 A 4 4 ASN C C 4 175.378 174.361 1.017 1
1 32 . 5 1 1 A 4 4 ASN CA C 4 53.427 51.837 1.590 1
1 33 . 5 1 1 A 4 4 ASN CB C 4 39.212 43.076 -3.864 1
1 34 . 5 1 1 A 4 4 ASN N N 4 121.932 120.131 1.801 1
1 36 . 5 1 1 A 5 5 GLU H H 5 8.453 8.927 -0.474 1
1 37 . 5 1 1 A 5 5 GLU HA H 5 4.281 4.549 -0.268 1
1 42 . 5 1 1 A 5 5 GLU C C 5 176.502 177.963 -1.461 1
1 43 . 5 1 1 A 5 5 GLU CA C 5 56.925 55.313 1.612 1
1 44 . 5 1 1 A 5 5 GLU CB C 5 30.226 31.088 -0.862 1
1 46 . 5 1 1 A 5 5 GLU N N 5 122.108 119.545 2.563 1
1 47 . 5 1 1 A 6 6 CYS H H 6 8.519 8.727 -0.208 1
1 48 . 5 1 1 A 6 6 CYS HA H 6 4.605 4.326 0.279 1
1 51 . 5 1 1 A 6 6 CYS C C 6 174.876 174.989 -0.113 1
1 52 . 5 1 1 A 6 6 CYS CA C 6 56.068 59.582 -3.514 1
1 53 . 5 1 1 A 6 6 CYS CB C 6 40.544 41.533 -0.989 1
1 54 . 5 1 1 A 6 6 CYS N N 6 119.657 118.511 1.146 1
1 55 . 5 1 1 A 7 7 LEU H H 7 8.372 7.848 0.524 1
1 56 . 5 1 1 A 7 7 LEU HA H 7 4.361 4.429 -0.068 1
1 66 . 5 1 1 A 7 7 LEU C C 7 177.534 176.865 0.669 1
1 67 . 5 1 1 A 7 7 LEU CA C 7 55.778 55.366 0.412 1
1 68 . 5 1 1 A 7 7 LEU CB C 7 42.554 41.683 0.871 1
1 72 . 5 1 1 A 7 7 LEU N N 7 123.198 115.688 7.510 1
1 73 . 5 1 1 A 8 8 THR H H 8 8.018 7.554 0.464 1
1 74 . 5 1 1 A 8 8 THR HA H 8 4.332 4.300 0.032 1
1 79 . 5 1 1 A 8 8 THR C C 8 174.296 174.521 -0.225 1
1 80 . 5 1 1 A 8 8 THR CA C 8 61.745 63.093 -1.348 1
1 81 . 5 1 1 A 8 8 THR CB C 8 69.529 69.575 -0.046 1
1 83 . 5 1 1 A 8 8 THR N N 8 113.232 116.277 -3.045 1
1 84 . 5 1 1 A 9 9 ILE H H 9 7.827 8.527 -0.700 1
1 85 . 5 1 1 A 9 9 ILE HA H 9 4.472 4.472 0.000 1
1 95 . 5 1 1 A 9 9 ILE C C 9 174.443 174.989 -0.546 1
1 96 . 5 1 1 A 9 9 ILE CA C 9 58.355 59.440 -1.085 1
1 97 . 5 1 1 A 9 9 ILE CB C 9 38.496 37.844 0.652 1
1 101 . 5 1 1 A 9 9 ILE N N 9 123.285 126.072 -2.787 1
1 102 . 5 1 1 A 10 10 PRO HA H 10 4.351 4.585 -0.234 1
1 109 . 5 1 1 A 10 10 PRO C C 10 177.207 177.089 0.118 1
1 110 . 5 1 1 A 10 10 PRO CA C 10 63.599 62.258 1.341 1
1 111 . 5 1 1 A 10 10 PRO CB C 10 31.965 29.601 2.364 1
1 114 . 5 1 1 A 11 11 GLU H H 11 8.555 8.921 -0.366 1
1 115 . 5 1 1 A 11 11 GLU HA H 11 4.053 4.381 -0.328 1
1 120 . 5 1 1 A 11 11 GLU C C 11 176.353 176.175 0.178 1
1 121 . 5 1 1 A 11 11 GLU CA C 11 56.955 56.570 0.385 1
1 122 . 5 1 1 A 11 11 GLU CB C 11 29.589 30.264 -0.675 1
1 124 . 5 1 1 A 11 11 GLU N N 11 120.562 122.079 -1.517 1
1 125 . 5 1 1 A 12 12 ALA H H 12 8.089 7.607 0.482 1
1 126 . 5 1 1 A 12 12 ALA HA H 12 4.233 4.989 -0.756 1
1 130 . 5 1 1 A 12 12 ALA C C 12 178.135 175.856 2.279 1
1 131 . 5 1 1 A 12 12 ALA CA C 12 53.092 50.354 2.738 1
1 132 . 5 1 1 A 12 12 ALA CB C 12 19.570 23.084 -3.514 1
1 133 . 5 1 1 A 12 12 ALA N N 12 123.927 120.337 3.590 1
1 134 . 5 1 1 A 13 13 CYS H H 13 8.725 8.514 0.211 1
1 135 . 5 1 1 A 13 13 CYS HA H 13 4.816 5.170 -0.354 1
1 138 . 5 1 1 A 13 13 CYS C C 13 175.490 173.342 2.148 1
1 139 . 5 1 1 A 13 13 CYS CA C 13 52.752 55.036 -2.284 1
1 140 . 5 1 1 A 13 13 CYS CB C 13 36.168 43.474 -7.306 1
1 141 . 5 1 1 A 13 13 CYS N N 13 114.120 117.995 -3.875 1
1 142 . 5 1 1 A 14 14 LYS H H 14 8.246 8.687 -0.441 1
1 143 . 5 1 1 A 14 14 LYS HA H 14 4.027 4.028 -0.001 1
1 152 . 5 1 1 A 14 14 LYS C C 14 177.863 177.594 0.269 1
1 153 . 5 1 1 A 14 14 LYS CA C 14 58.289 58.045 0.244 1
1 154 . 5 1 1 A 14 14 LYS CB C 14 31.489 32.242 -0.753 1
1 158 . 5 1 1 A 14 14 LYS N N 14 121.767 125.726 -3.959 1
1 159 . 5 1 1 A 15 15 GLY H H 15 8.979 8.759 0.220 1
1 160 . 5 1 1 A 15 15 GLY HA2 H 15 4.161 3.911 0.250 1
1 161 . 5 1 1 A 15 15 GLY HA3 H 15 3.765 3.913 -0.148 1
1 162 . 5 1 1 A 15 15 GLY C C 15 173.903 173.511 0.392 1
1 163 . 5 1 1 A 15 15 GLY CA C 15 45.603 45.574 0.029 1
1 164 . 5 1 1 A 15 15 GLY N N 15 113.508 114.429 -0.921 1
1 165 . 5 1 1 A 16 16 GLU H H 16 8.027 7.614 0.413 1
1 166 . 5 1 1 A 16 16 GLU HA H 16 4.555 4.910 -0.355 1
1 171 . 5 1 1 A 16 16 GLU C C 16 174.310 175.245 -0.935 1
1 172 . 5 1 1 A 16 16 GLU CA C 16 55.213 54.234 0.979 1
1 173 . 5 1 1 A 16 16 GLU CB C 16 31.839 32.963 -1.124 1
1 175 . 5 1 1 A 16 16 GLU N N 16 120.692 119.758 0.934 1
1 176 . 5 1 1 A 17 17 MET H H 17 8.943 8.873 0.070 1
1 177 . 5 1 1 A 17 17 MET HA H 17 4.584 5.236 -0.652 1
1 185 . 5 1 1 A 17 17 MET C C 17 173.801 175.305 -1.504 1
1 186 . 5 1 1 A 17 17 MET CA C 17 55.183 54.322 0.861 1
1 187 . 5 1 1 A 17 17 MET CB C 17 34.221 32.901 1.320 1
1 190 . 5 1 1 A 17 17 MET N N 17 120.713 121.106 -0.393 1
1 191 . 5 1 1 A 18 18 LYS H H 18 8.789 8.576 0.213 1
1 192 . 5 1 1 A 18 18 LYS HA H 18 5.083 4.690 0.393 1
1 201 . 5 1 1 A 18 18 LYS C C 18 175.138 174.470 0.668 1
1 202 . 5 1 1 A 18 18 LYS CA C 18 55.726 55.434 0.292 1
1 203 . 5 1 1 A 18 18 LYS CB C 18 35.053 33.200 1.853 1
1 207 . 5 1 1 A 18 18 LYS N N 18 127.261 123.663 3.598 1
1 208 . 5 1 1 A 19 19 CYS H H 19 9.132 9.215 -0.083 1
1 209 . 5 1 1 A 19 19 CYS HA H 19 5.273 5.403 -0.130 1
1 212 . 5 1 1 A 19 19 CYS C C 19 174.193 173.200 0.993 1
1 213 . 5 1 1 A 19 19 CYS CA C 19 54.753 54.552 0.201 1
1 214 . 5 1 1 A 19 19 CYS CB C 19 43.915 43.617 0.298 1
1 215 . 5 1 1 A 19 19 CYS N N 19 126.193 125.320 0.873 1
1 216 . 5 1 1 A 20 20 ILE H H 20 10.001 9.079 0.922 1
1 217 . 5 1 1 A 20 20 ILE HA H 20 5.483 5.712 -0.229 1
1 227 . 5 1 1 A 20 20 ILE C C 20 176.355 174.474 1.881 1
1 228 . 5 1 1 A 20 20 ILE CA C 20 59.977 58.999 0.978 1
1 229 . 5 1 1 A 20 20 ILE CB C 20 42.458 42.414 0.044 1
1 233 . 5 1 1 A 20 20 ILE N N 20 119.415 119.672 -0.257 1
1 234 . 5 1 1 A 21 21 ASN H H 21 8.092 8.193 -0.101 1
1 235 . 5 1 1 A 21 21 ASN HA H 21 4.906 5.268 -0.362 1
1 240 . 5 1 1 A 21 21 ASN CA C 21 50.729 51.106 -0.377 1
1 241 . 5 1 1 A 21 21 ASN CB C 21 38.492 41.729 -3.237 1
1 245 . 5 1 1 A 22 22 HIS C C 22 174.724 176.979 -2.255 1
1 250 . 5 1 1 A 23 23 TYR H H 23 7.932 7.913 0.019 1
1 251 . 5 1 1 A 23 23 TYR HA H 23 4.785 4.462 0.323 1
1 258 . 5 1 1 A 23 23 TYR C C 23 176.186 175.932 0.254 1
1 259 . 5 1 1 A 23 23 TYR CA C 23 56.891 58.590 -1.699 1
1 260 . 5 1 1 A 23 23 TYR CB C 23 38.509 38.655 -0.146 1
1 265 . 5 1 1 A 23 23 TYR N N 23 117.160 117.869 -0.709 1
1 266 . 5 1 1 A 24 24 GLY HA2 H 24 4.411 4.121 0.290 1
1 267 . 5 1 1 A 24 24 GLY HA3 H 24 3.674 4.128 -0.454 1
1 268 . 5 1 1 A 24 24 GLY C C 24 174.895 174.906 -0.011 1
1 269 . 5 1 1 A 24 24 GLY CA C 24 45.377 45.098 0.279 1
1 270 . 5 1 1 A 25 25 GLY H H 25 8.418 8.390 0.028 1
1 271 . 5 1 1 A 25 25 GLY HA2 H 25 4.461 4.112 0.349 1
1 272 . 5 1 1 A 25 25 GLY HA3 H 25 3.737 4.251 -0.514 1
1 273 . 5 1 1 A 25 25 GLY C C 25 172.832 171.794 1.038 1
1 274 . 5 1 1 A 25 25 GLY CA C 25 44.602 45.734 -1.132 1
1 275 . 5 1 1 A 25 25 GLY N N 25 110.337 108.862 1.475 1
1 276 . 5 1 1 A 26 26 TYR H H 26 8.256 8.974 -0.718 1
1 277 . 5 1 1 A 26 26 TYR HA H 26 6.053 5.303 0.750 1
1 284 . 5 1 1 A 26 26 TYR C C 26 173.625 173.902 -0.277 1
1 285 . 5 1 1 A 26 26 TYR CA C 26 55.921 56.376 -0.455 1
1 286 . 5 1 1 A 26 26 TYR CB C 26 42.690 41.859 0.831 1
1 291 . 5 1 1 A 26 26 TYR N N 26 116.601 124.045 -7.444 1
1 292 . 5 1 1 A 27 27 LEU H H 27 9.227 8.686 0.541 1
1 293 . 5 1 1 A 27 27 LEU HA H 27 4.437 4.736 -0.299 1
1 303 . 5 1 1 A 27 27 LEU C C 27 175.019 175.297 -0.278 1
1 304 . 5 1 1 A 27 27 LEU CA C 27 53.999 53.122 0.877 1
1 305 . 5 1 1 A 27 27 LEU CB C 27 46.334 45.303 1.031 1
1 309 . 5 1 1 A 27 27 LEU N N 27 121.005 126.963 -5.958 1
1 310 . 5 1 1 A 28 28 CYS H H 28 8.801 8.768 0.033 1
1 311 . 5 1 1 A 28 28 CYS HA H 28 5.730 5.591 0.139 1
1 314 . 5 1 1 A 28 28 CYS C C 28 174.452 172.690 1.762 1
1 315 . 5 1 1 A 28 28 CYS CA C 28 51.978 54.525 -2.547 1
1 316 . 5 1 1 A 28 28 CYS CB C 28 37.734 44.130 -6.396 1
1 317 . 5 1 1 A 28 28 CYS N N 28 120.613 120.818 -0.205 1
1 318 . 5 1 1 A 29 29 LEU H H 29 9.371 9.039 0.332 1
1 319 . 5 1 1 A 29 29 LEU HA H 29 4.891 4.751 0.140 1
1 329 . 5 1 1 A 29 29 LEU C C 29 173.339 174.425 -1.086 1
1 330 . 5 1 1 A 29 29 LEU CA C 29 51.743 51.977 -0.234 1
1 331 . 5 1 1 A 29 29 LEU CB C 29 44.633 42.726 1.907 1
1 335 . 5 1 1 A 29 29 LEU N N 29 127.550 126.476 1.074 1
1 336 . 5 1 1 A 30 30 PRO HA H 30 4.478 4.532 -0.054 1
1 343 . 5 1 1 A 30 30 PRO C C 30 177.206 176.817 0.389 1
1 344 . 5 1 1 A 30 30 PRO CA C 30 62.730 62.718 0.012 1
1 345 . 5 1 1 A 30 30 PRO CB C 30 31.984 33.018 -1.034 1
1 348 . 5 1 1 A 31 31 ARG H H 31 8.856 8.958 -0.102 1
1 349 . 5 1 1 A 31 31 ARG HA H 31 4.189 4.246 -0.057 1
1 357 . 5 1 1 A 31 31 ARG C C 31 176.891 178.188 -1.297 1
1 358 . 5 1 1 A 31 31 ARG CA C 31 56.964 57.123 -0.159 1
1 359 . 5 1 1 A 31 31 ARG CB C 31 30.633 30.133 0.500 1
1 362 . 5 1 1 A 31 31 ARG N N 31 121.660 123.668 -2.008 1
1 364 . 5 1 1 A 32 32 SER H H 32 8.318 8.081 0.237 1
1 365 . 5 1 1 A 32 32 SER HA H 32 4.389 4.248 0.141 1
1 368 . 5 1 1 A 32 32 SER C C 32 174.251 174.931 -0.680 1
1 369 . 5 1 1 A 32 32 SER CA C 32 58.238 61.380 -3.142 1
1 370 . 5 1 1 A 32 32 SER CB C 32 63.821 62.935 0.886 1
1 371 . 5 1 1 A 32 32 SER N N 32 116.432 114.063 2.369 1
1 372 . 5 1 1 A 33 33 ALA H H 33 8.353 7.650 0.703 1
1 373 . 5 1 1 A 33 33 ALA HA H 33 4.307 4.681 -0.374 1
1 377 . 5 1 1 A 33 33 ALA C C 33 177.290 175.594 1.696 1
1 378 . 5 1 1 A 33 33 ALA CA C 33 52.515 50.457 2.058 1
1 379 . 5 1 1 A 33 33 ALA CB C 33 19.358 22.742 -3.384 1
1 380 . 5 1 1 A 33 33 ALA N N 33 126.203 121.831 4.372 1
1 381 . 5 1 1 A 34 34 ALA H H 34 8.178 8.810 -0.632 1
1 382 . 5 1 1 A 34 34 ALA HA H 34 4.280 5.183 -0.903 1
1 386 . 5 1 1 A 34 34 ALA C C 34 177.519 177.863 -0.344 1
1 387 . 5 1 1 A 34 34 ALA CA C 34 52.480 50.084 2.396 1
1 388 . 5 1 1 A 34 34 ALA CB C 34 19.250 22.287 -3.037 1
1 389 . 5 1 1 A 34 34 ALA N N 34 123.091 121.274 1.817 1
1 390 . 5 1 1 A 35 35 VAL H H 35 8.083 8.659 -0.576 1
1 391 . 5 1 1 A 35 35 VAL HA H 35 4.060 4.276 -0.216 1
1 399 . 5 1 1 A 35 35 VAL C C 35 176.050 175.912 0.138 1
1 400 . 5 1 1 A 35 35 VAL CA C 35 62.297 61.260 1.037 1
1 401 . 5 1 1 A 35 35 VAL CB C 35 32.695 31.419 1.276 1
1 404 . 5 1 1 A 35 35 VAL N N 35 120.060 119.492 0.568 1
1 405 . 5 1 1 A 36 36 ILE H H 36 8.264 7.552 0.712 1
1 406 . 5 1 1 A 36 36 ILE HA H 36 4.141 4.331 -0.190 1
1 416 . 5 1 1 A 36 36 ILE C C 36 175.848 177.090 -1.242 1
1 417 . 5 1 1 A 36 36 ILE CA C 36 60.924 60.006 0.918 1
1 418 . 5 1 1 A 36 36 ILE CB C 36 38.614 39.031 -0.417 1
1 422 . 5 1 1 A 36 36 ILE N N 36 125.147 119.661 5.486 1
1 423 . 5 1 1 A 37 37 ASN H H 37 8.501 8.685 -0.184 1
1 424 . 5 1 1 A 37 37 ASN HA H 37 4.702 4.883 -0.181 1
1 429 . 5 1 1 A 37 37 ASN C C 37 174.609 174.692 -0.083 1
1 430 . 5 1 1 A 37 37 ASN CA C 37 53.143 55.419 -2.276 1
1 431 . 5 1 1 A 37 37 ASN CB C 37 38.957 38.297 0.660 1
1 432 . 5 1 1 A 37 37 ASN N N 37 123.292 119.051 4.241 1
1 434 . 5 1 1 A 38 38 ASP H H 38 8.326 7.824 0.502 1
1 435 . 5 1 1 A 38 38 ASP HA H 38 4.562 4.947 -0.385 1
1 438 . 5 1 1 A 38 38 ASP C C 38 176.188 173.920 2.268 1
1 439 . 5 1 1 A 38 38 ASP CA C 38 54.218 54.209 0.009 1
1 440 . 5 1 1 A 38 38 ASP CB C 38 41.133 43.040 -1.907 1
1 441 . 5 1 1 A 38 38 ASP N N 38 121.317 118.413 2.904 1
1 442 . 5 1 1 A 39 39 LEU H H 39 8.188 9.079 -0.891 1
1 443 . 5 1 1 A 39 39 LEU HA H 39 4.242 4.723 -0.481 1
1 453 . 5 1 1 A 39 39 LEU C C 39 177.515 175.245 2.270 1
1 454 . 5 1 1 A 39 39 LEU CA C 39 55.501 53.706 1.795 1
1 455 . 5 1 1 A 39 39 LEU CB C 39 42.030 41.327 0.703 1
1 459 . 5 1 1 A 39 39 LEU N N 39 122.367 127.735 -5.368 1
1 460 . 5 1 1 A 40 40 HIS H H 40 8.418 8.864 -0.446 1
1 461 . 5 1 1 A 40 40 HIS HA H 40 4.636 4.879 -0.243 1
1 466 . 5 1 1 A 40 40 HIS C C 40 175.495 174.527 0.968 1
1 467 . 5 1 1 A 40 40 HIS CA C 40 55.920 54.581 1.339 1
1 468 . 5 1 1 A 40 40 HIS CB C 40 29.633 28.771 0.862 1
1 471 . 5 1 1 A 40 40 HIS N N 40 118.989 123.793 -4.804 1
1 474 . 5 1 1 A 41 41 GLY H H 41 8.258 8.521 -0.263 1
1 475 . 5 1 1 A 41 41 GLY HA2 H 41 3.969 3.704 0.265 1
1 476 . 5 1 1 A 41 41 GLY HA3 H 41 3.952 3.718 0.234 1
1 477 . 5 1 1 A 41 41 GLY C C 41 174.007 172.823 1.184 1
1 478 . 5 1 1 A 41 41 GLY CA C 41 45.363 47.127 -1.764 1
1 479 . 5 1 1 A 41 41 GLY N N 41 109.714 113.890 -4.176 1
1 480 . 5 1 1 A 42 42 GLU H H 42 8.406 8.230 0.176 1
1 481 . 5 1 1 A 42 42 GLU HA H 42 4.378 4.476 -0.098 1
1 486 . 5 1 1 A 42 42 GLU C C 42 176.668 176.264 0.404 1
1 487 . 5 1 1 A 42 42 GLU CA C 42 56.278 54.967 1.311 1
1 488 . 5 1 1 A 42 42 GLU CB C 42 30.473 30.569 -0.096 1
1 490 . 5 1 1 A 42 42 GLU N N 42 120.561 122.261 -1.700 1
1 491 . 5 1 1 A 43 43 GLY H H 43 8.284 8.911 -0.627 1
1 492 . 5 1 1 A 43 43 GLY HA2 H 43 4.100 4.025 0.075 1
1 493 . 5 1 1 A 43 43 GLY HA3 H 43 4.099 4.045 0.054 1
1 494 . 5 1 1 A 43 43 GLY C C 43 171.027 173.551 -2.524 1
1 495 . 5 1 1 A 43 43 GLY CA C 43 44.399 44.676 -0.277 1
1 496 . 5 1 1 A 43 43 GLY N N 43 110.014 116.479 -6.465 1
1 498 . 5 1 1 A 47 47 PRO C C 47 176.172 175.691 0.481 1
1 499 . 5 1 1 A 47 47 PRO CB C 47 32.134 29.782 2.352 1
1 500 . 5 1 1 A 48 48 VAL H H 48 8.585 8.126 0.459 1
1 501 . 5 1 1 A 48 48 VAL HA H 48 4.438 4.971 -0.533 1
1 508 . 5 1 1 A 48 48 VAL C C 48 174.309 173.384 0.925 1
1 509 . 5 1 1 A 48 48 VAL CA C 48 59.190 58.345 0.845 1
1 512 . 5 1 1 A 48 48 VAL N N 48 125.965 117.254 8.711 1
1 513 . 5 1 1 A 50 50 PRO HA H 50 4.353 4.218 0.135 1
1 520 . 5 1 1 A 50 50 PRO C C 50 176.824 176.618 0.206 1
1 521 . 5 1 1 A 50 50 PRO CA C 50 63.194 65.074 -1.880 1
1 522 . 5 1 1 A 50 50 PRO CB C 50 32.006 31.738 0.268 1
1 525 . 5 1 1 A 51 51 ALA H H 51 8.301 8.341 -0.040 1
1 526 . 5 1 1 A 51 51 ALA HA H 51 4.241 4.368 -0.127 1
1 530 . 5 1 1 A 51 51 ALA C C 51 177.617 176.713 0.904 1
1 531 . 5 1 1 A 51 51 ALA CA C 51 52.717 51.589 1.128 1
1 532 . 5 1 1 A 51 51 ALA CB C 51 19.211 17.823 1.388 1
1 533 . 5 1 1 A 51 51 ALA N N 51 122.996 119.789 3.207 1
1 534 . 5 1 1 A 52 52 GLN H H 52 8.165 7.733 0.432 1
1 535 . 5 1 1 A 52 52 GLN HA H 52 4.266 4.781 -0.515 1
1 542 . 5 1 1 A 52 52 GLN C C 52 175.394 173.515 1.879 1
1 543 . 5 1 1 A 52 52 GLN CA C 52 55.582 54.912 0.670 1
1 544 . 5 1 1 A 52 52 GLN CB C 52 29.636 32.250 -2.614 1
1 546 . 5 1 1 A 52 52 GLN N N 52 118.178 121.336 -3.158 1
1 548 . 5 1 1 A 53 53 HIS H H 53 8.395 8.603 -0.208 1
1 549 . 5 1 1 A 53 53 HIS HA H 53 4.872 5.035 -0.163 1
1 554 . 5 1 1 A 53 53 HIS C C 53 173.260 175.103 -1.843 1
1 555 . 5 1 1 A 53 53 HIS CA C 53 54.036 53.843 0.193 1
1 556 . 5 1 1 A 53 53 HIS CB C 53 29.841 32.149 -2.308 1
1 559 . 5 1 1 A 53 53 HIS N N 53 121.522 117.860 3.662 1
1 562 . 5 1 1 A 54 54 PRO HA H 54 4.547 4.282 0.265 1
1 569 . 5 1 1 A 54 54 PRO C C 54 176.605 176.794 -0.189 1
1 570 . 5 1 1 A 54 54 PRO CA C 54 62.997 64.633 -1.636 1
1 571 . 5 1 1 A 54 54 PRO CB C 54 32.349 31.902 0.447 1
1 574 . 5 1 1 A 55 55 ASN H H 55 8.646 8.153 0.493 1
1 575 . 5 1 1 A 55 55 ASN HA H 55 4.969 4.416 0.553 1
1 580 . 5 1 1 A 55 55 ASN C C 55 171.312 175.940 -4.628 1
1 581 . 5 1 1 A 55 55 ASN CA C 55 50.412 53.602 -3.190 1
1 582 . 5 1 1 A 55 55 ASN CB C 55 39.150 37.012 2.138 1
1 583 . 5 1 1 A 55 55 ASN N N 55 119.583 114.194 5.389 1
1 585 . 5 1 1 A 56 56 PRO HA H 56 4.400 4.425 -0.025 1
1 592 . 5 1 1 A 56 56 PRO C C 56 176.686 176.453 0.233 1
1 593 . 5 1 1 A 56 56 PRO CA C 56 63.273 64.198 -0.925 1
1 594 . 5 1 1 A 56 56 PRO CB C 56 31.783 31.478 0.305 1
1 597 . 5 1 1 A 57 57 CYS H H 57 7.831 8.047 -0.216 1
1 598 . 5 1 1 A 57 57 CYS HA H 57 4.443 4.710 -0.267 1
1 601 . 5 1 1 A 57 57 CYS C C 57 173.881 172.190 1.691 1
1 602 . 5 1 1 A 57 57 CYS CA C 57 59.103 55.765 3.338 1
1 603 . 5 1 1 A 57 57 CYS CB C 57 32.909 42.243 -9.334 1
1 604 . 5 1 1 A 57 57 CYS N N 57 119.502 118.750 0.752 1
1 605 . 5 1 1 A 59 59 PRO HA H 59 4.385 4.267 0.118 1
1 612 . 5 1 1 A 59 59 PRO C C 59 177.996 177.275 0.721 1
1 613 . 5 1 1 A 59 59 PRO CA C 59 64.249 63.922 0.327 1
1 614 . 5 1 1 A 59 59 PRO CB C 59 31.776 31.453 0.323 1
1 617 . 5 1 1 A 60 60 GLY H H 60 8.761 8.722 0.039 1
1 618 . 5 1 1 A 60 60 GLY HA2 H 60 4.302 3.652 0.650 1
1 619 . 5 1 1 A 60 60 GLY HA3 H 60 3.619 3.731 -0.112 1
1 620 . 5 1 1 A 60 60 GLY C C 60 173.861 172.867 0.994 1
1 621 . 5 1 1 A 60 60 GLY CA C 60 44.888 45.049 -0.161 1
1 622 . 5 1 1 A 60 60 GLY N N 60 112.485 112.647 -0.162 1
1 623 . 5 1 1 A 61 61 TYR H H 61 8.522 7.781 0.741 1
1 624 . 5 1 1 A 61 61 TYR HA H 61 5.083 5.044 0.039 1
1 631 . 5 1 1 A 61 61 TYR C C 61 174.910 175.109 -0.199 1
1 632 . 5 1 1 A 61 61 TYR CA C 61 56.152 56.737 -0.585 1
1 633 . 5 1 1 A 61 61 TYR CB C 61 42.124 41.360 0.764 1
1 638 . 5 1 1 A 61 61 TYR N N 61 118.801 118.861 -0.060 1
1 639 . 5 1 1 A 62 62 GLU H H 62 9.129 9.046 0.083 1
1 640 . 5 1 1 A 62 62 GLU HA H 62 4.962 4.886 0.076 1
1 645 . 5 1 1 A 62 62 GLU C C 62 173.115 174.673 -1.558 1
1 646 . 5 1 1 A 62 62 GLU CA C 62 53.654 54.081 -0.427 1
1 647 . 5 1 1 A 62 62 GLU CB C 62 31.928 30.993 0.935 1
1 649 . 5 1 1 A 62 62 GLU N N 62 118.016 123.389 -5.373 1
1 650 . 5 1 1 A 63 63 PRO HA H 63 4.743 4.640 0.103 1
1 657 . 5 1 1 A 63 63 PRO C C 63 177.040 175.356 1.684 1
1 658 . 5 1 1 A 63 63 PRO CA C 63 63.759 62.492 1.267 1
1 659 . 5 1 1 A 63 63 PRO CB C 63 32.352 32.139 0.213 1
1 662 . 5 1 1 A 64 64 ASP H H 64 8.595 8.721 -0.126 1
1 663 . 5 1 1 A 64 64 ASP HA H 64 4.679 4.932 -0.253 1
1 666 . 5 1 1 A 64 64 ASP C C 64 175.960 174.968 0.992 1
1 667 . 5 1 1 A 64 64 ASP CA C 64 53.790 52.931 0.859 1
1 668 . 5 1 1 A 64 64 ASP CB C 64 42.611 43.728 -1.117 1
1 669 . 5 1 1 A 64 64 ASP N N 64 122.807 122.124 0.683 1
1 670 . 5 1 1 A 65 65 ASP H H 65 8.437 8.702 -0.265 1
1 671 . 5 1 1 A 65 65 ASP HA H 65 4.701 4.928 -0.227 1
1 674 . 5 1 1 A 65 65 ASP C C 65 176.412 175.501 0.911 1
1 675 . 5 1 1 A 65 65 ASP CA C 65 54.043 54.289 -0.246 1
1 676 . 5 1 1 A 65 65 ASP CB C 65 41.279 41.414 -0.135 1
1 677 . 5 1 1 A 65 65 ASP N N 65 124.473 125.805 -1.332 1
1 678 . 5 1 1 A 66 66 GLN H H 66 8.316 8.532 -0.216 1
1 679 . 5 1 1 A 66 66 GLN HA H 66 4.290 4.732 -0.442 1
1 686 . 5 1 1 A 66 66 GLN C C 66 175.877 174.563 1.314 1
1 687 . 5 1 1 A 66 66 GLN CA C 66 55.992 55.152 0.840 1
1 688 . 5 1 1 A 66 66 GLN CB C 66 29.565 28.982 0.583 1
1 690 . 5 1 1 A 66 66 GLN N N 66 120.317 124.634 -4.317 1
1 692 . 5 1 1 A 67 67 ASP H H 67 8.438 8.720 -0.282 1
1 693 . 5 1 1 A 67 67 ASP HA H 67 4.619 4.733 -0.114 1
1 696 . 5 1 1 A 67 67 ASP C C 67 176.300 175.098 1.202 1
1 697 . 5 1 1 A 67 67 ASP CA C 67 54.535 53.847 0.688 1
1 698 . 5 1 1 A 67 67 ASP CB C 67 41.210 39.057 2.153 1
1 699 . 5 1 1 A 67 67 ASP N N 67 121.942 127.103 -5.161 1
1 700 . 5 1 1 A 68 68 SER H H 68 8.274 8.558 -0.284 1
1 701 . 5 1 1 A 68 68 SER HA H 68 4.476 4.481 -0.005 1
1 704 . 5 1 1 A 68 68 SER C C 68 174.516 175.095 -0.579 1
1 705 . 5 1 1 A 68 68 SER CA C 68 58.615 57.660 0.955 1
1 706 . 5 1 1 A 68 68 SER CB C 68 63.911 60.657 3.254 1
1 707 . 5 1 1 A 68 68 SER N N 68 116.099 118.403 -2.304 1
1 708 . 5 1 1 A 69 69 CYS H H 69 8.589 8.576 0.013 1
1 709 . 5 1 1 A 69 69 CYS HA H 69 4.719 4.464 0.255 1
1 712 . 5 1 1 A 69 69 CYS C C 69 174.437 173.828 0.609 1
1 713 . 5 1 1 A 69 69 CYS CA C 69 55.620 57.509 -1.889 1
1 714 . 5 1 1 A 69 69 CYS CB C 69 40.727 42.402 -1.675 1
1 715 . 5 1 1 A 69 69 CYS N N 69 120.951 123.500 -2.549 1
1 716 . 5 1 1 A 70 70 VAL H H 70 8.150 7.628 0.522 1
1 717 . 5 1 1 A 70 70 VAL HA H 70 4.193 4.161 0.032 1
1 725 . 5 1 1 A 70 70 VAL C C 70 174.771 174.503 0.268 1
1 726 . 5 1 1 A 70 70 VAL CA C 70 62.021 62.522 -0.501 1
1 727 . 5 1 1 A 70 70 VAL CB C 70 33.168 32.681 0.487 1
1 730 . 5 1 1 A 70 70 VAL N N 70 120.979 122.666 -1.687 1
1 2 . 6 1 1 A 2 2 ASP H H 2 8.270 8.860 -0.590 1
1 3 . 6 1 1 A 2 2 ASP HA H 2 4.706 4.218 0.488 1
1 6 . 6 1 1 A 2 2 ASP C C 2 176.240 174.343 1.897 1
1 7 . 6 1 1 A 2 2 ASP CA C 2 54.448 55.730 -1.282 1
1 8 . 6 1 1 A 2 2 ASP CB C 2 41.396 39.870 1.526 1
1 9 . 6 1 1 A 2 2 ASP N N 2 116.604 118.120 -1.516 1
1 10 . 6 1 1 A 3 3 VAL H H 3 8.197 7.702 0.495 1
1 11 . 6 1 1 A 3 3 VAL HA H 3 4.090 4.677 -0.587 1
1 19 . 6 1 1 A 3 3 VAL C C 3 175.880 173.317 2.563 1
1 20 . 6 1 1 A 3 3 VAL CA C 3 62.509 59.788 2.721 1
1 21 . 6 1 1 A 3 3 VAL CB C 3 32.701 35.527 -2.826 1
1 24 . 6 1 1 A 3 3 VAL N N 3 119.871 117.604 2.267 1
1 25 . 6 1 1 A 4 4 ASN H H 4 8.502 8.892 -0.390 1
1 26 . 6 1 1 A 4 4 ASN HA H 4 4.700 5.362 -0.662 1
1 31 . 6 1 1 A 4 4 ASN C C 4 175.378 174.136 1.242 1
1 32 . 6 1 1 A 4 4 ASN CA C 4 53.427 51.555 1.872 1
1 33 . 6 1 1 A 4 4 ASN CB C 4 39.212 43.228 -4.016 1
1 34 . 6 1 1 A 4 4 ASN N N 4 121.932 124.201 -2.269 1
1 36 . 6 1 1 A 5 5 GLU H H 5 8.453 8.622 -0.169 1
1 37 . 6 1 1 A 5 5 GLU HA H 5 4.281 4.678 -0.397 1
1 42 . 6 1 1 A 5 5 GLU C C 5 176.502 176.932 -0.430 1
1 43 . 6 1 1 A 5 5 GLU CA C 5 56.925 54.788 2.137 1
1 44 . 6 1 1 A 5 5 GLU CB C 5 30.226 32.467 -2.241 1
1 46 . 6 1 1 A 5 5 GLU N N 5 122.108 118.455 3.653 1
1 47 . 6 1 1 A 6 6 CYS H H 6 8.519 8.737 -0.218 1
1 48 . 6 1 1 A 6 6 CYS HA H 6 4.605 4.531 0.074 1
1 51 . 6 1 1 A 6 6 CYS C C 6 174.876 174.446 0.430 1
1 52 . 6 1 1 A 6 6 CYS CA C 6 56.068 57.929 -1.861 1
1 53 . 6 1 1 A 6 6 CYS CB C 6 40.544 42.214 -1.670 1
1 54 . 6 1 1 A 6 6 CYS N N 6 119.657 118.779 0.878 1
1 55 . 6 1 1 A 7 7 LEU H H 7 8.372 7.696 0.676 1
1 56 . 6 1 1 A 7 7 LEU HA H 7 4.361 4.550 -0.189 1
1 66 . 6 1 1 A 7 7 LEU C C 7 177.534 176.651 0.883 1
1 67 . 6 1 1 A 7 7 LEU CA C 7 55.778 54.581 1.197 1
1 68 . 6 1 1 A 7 7 LEU CB C 7 42.554 41.657 0.897 1
1 72 . 6 1 1 A 7 7 LEU N N 7 123.198 115.104 8.094 1
1 73 . 6 1 1 A 8 8 THR H H 8 8.018 7.303 0.715 1
1 74 . 6 1 1 A 8 8 THR HA H 8 4.332 4.295 0.037 1
1 79 . 6 1 1 A 8 8 THR C C 8 174.296 174.476 -0.180 1
1 80 . 6 1 1 A 8 8 THR CA C 8 61.745 62.176 -0.431 1
1 81 . 6 1 1 A 8 8 THR CB C 8 69.529 69.816 -0.287 1
1 83 . 6 1 1 A 8 8 THR N N 8 113.232 116.028 -2.796 1
1 84 . 6 1 1 A 9 9 ILE H H 9 7.827 8.434 -0.607 1
1 85 . 6 1 1 A 9 9 ILE HA H 9 4.472 4.532 -0.060 1
1 95 . 6 1 1 A 9 9 ILE C C 9 174.443 174.746 -0.303 1
1 96 . 6 1 1 A 9 9 ILE CA C 9 58.355 58.928 -0.573 1
1 97 . 6 1 1 A 9 9 ILE CB C 9 38.496 37.474 1.022 1
1 101 . 6 1 1 A 9 9 ILE N N 9 123.285 125.213 -1.928 1
1 102 . 6 1 1 A 10 10 PRO HA H 10 4.351 4.557 -0.206 1
1 109 . 6 1 1 A 10 10 PRO C C 10 177.207 177.182 0.025 1
1 110 . 6 1 1 A 10 10 PRO CA C 10 63.599 62.414 1.185 1
1 111 . 6 1 1 A 10 10 PRO CB C 10 31.965 29.762 2.203 1
1 114 . 6 1 1 A 11 11 GLU H H 11 8.555 8.803 -0.248 1
1 115 . 6 1 1 A 11 11 GLU HA H 11 4.053 3.989 0.064 1
1 120 . 6 1 1 A 11 11 GLU C C 11 176.353 177.251 -0.898 1
1 121 . 6 1 1 A 11 11 GLU CA C 11 56.955 58.854 -1.899 1
1 122 . 6 1 1 A 11 11 GLU CB C 11 29.589 30.430 -0.841 1
1 124 . 6 1 1 A 11 11 GLU N N 11 120.562 122.775 -2.213 1
1 125 . 6 1 1 A 12 12 ALA H H 12 8.089 7.227 0.862 1
1 126 . 6 1 1 A 12 12 ALA HA H 12 4.233 4.552 -0.319 1
1 130 . 6 1 1 A 12 12 ALA C C 12 178.135 176.720 1.415 1
1 131 . 6 1 1 A 12 12 ALA CA C 12 53.092 51.876 1.216 1
1 132 . 6 1 1 A 12 12 ALA CB C 12 19.570 20.956 -1.386 1
1 133 . 6 1 1 A 12 12 ALA N N 12 123.927 120.489 3.438 1
1 134 . 6 1 1 A 13 13 CYS H H 13 8.725 8.708 0.017 1
1 135 . 6 1 1 A 13 13 CYS HA H 13 4.816 5.221 -0.405 1
1 138 . 6 1 1 A 13 13 CYS C C 13 175.490 173.318 2.172 1
1 139 . 6 1 1 A 13 13 CYS CA C 13 52.752 54.673 -1.921 1
1 140 . 6 1 1 A 13 13 CYS CB C 13 36.168 43.182 -7.014 1
1 141 . 6 1 1 A 13 13 CYS N N 13 114.120 118.050 -3.930 1
1 142 . 6 1 1 A 14 14 LYS H H 14 8.246 8.703 -0.457 1
1 143 . 6 1 1 A 14 14 LYS HA H 14 4.027 3.968 0.059 1
1 152 . 6 1 1 A 14 14 LYS C C 14 177.863 177.533 0.330 1
1 153 . 6 1 1 A 14 14 LYS CA C 14 58.289 58.262 0.027 1
1 154 . 6 1 1 A 14 14 LYS CB C 14 31.489 32.062 -0.573 1
1 158 . 6 1 1 A 14 14 LYS N N 14 121.767 125.831 -4.064 1
1 159 . 6 1 1 A 15 15 GLY H H 15 8.979 8.803 0.176 1
1 160 . 6 1 1 A 15 15 GLY HA2 H 15 4.161 3.913 0.248 1
1 161 . 6 1 1 A 15 15 GLY HA3 H 15 3.765 3.914 -0.149 1
1 162 . 6 1 1 A 15 15 GLY C C 15 173.903 173.593 0.310 1
1 163 . 6 1 1 A 15 15 GLY CA C 15 45.603 45.611 -0.008 1
1 164 . 6 1 1 A 15 15 GLY N N 15 113.508 114.560 -1.052 1
1 165 . 6 1 1 A 16 16 GLU H H 16 8.027 7.795 0.232 1
1 166 . 6 1 1 A 16 16 GLU HA H 16 4.555 4.875 -0.320 1
1 171 . 6 1 1 A 16 16 GLU C C 16 174.310 175.038 -0.728 1
1 172 . 6 1 1 A 16 16 GLU CA C 16 55.213 54.405 0.808 1
1 173 . 6 1 1 A 16 16 GLU CB C 16 31.839 33.677 -1.838 1
1 175 . 6 1 1 A 16 16 GLU N N 16 120.692 119.362 1.330 1
1 176 . 6 1 1 A 17 17 MET H H 17 8.943 8.764 0.179 1
1 177 . 6 1 1 A 17 17 MET HA H 17 4.584 5.001 -0.417 1
1 185 . 6 1 1 A 17 17 MET C C 17 173.801 175.395 -1.594 1
1 186 . 6 1 1 A 17 17 MET CA C 17 55.183 54.206 0.977 1
1 187 . 6 1 1 A 17 17 MET CB C 17 34.221 33.337 0.884 1
1 190 . 6 1 1 A 17 17 MET N N 17 120.713 120.163 0.550 1
1 191 . 6 1 1 A 18 18 LYS H H 18 8.789 8.564 0.225 1
1 192 . 6 1 1 A 18 18 LYS HA H 18 5.083 4.658 0.425 1
1 201 . 6 1 1 A 18 18 LYS C C 18 175.138 174.532 0.606 1
1 202 . 6 1 1 A 18 18 LYS CA C 18 55.726 54.972 0.754 1
1 203 . 6 1 1 A 18 18 LYS CB C 18 35.053 33.495 1.558 1
1 207 . 6 1 1 A 18 18 LYS N N 18 127.261 122.974 4.287 1
1 208 . 6 1 1 A 19 19 CYS H H 19 9.132 9.243 -0.111 1
1 209 . 6 1 1 A 19 19 CYS HA H 19 5.273 5.378 -0.105 1
1 212 . 6 1 1 A 19 19 CYS C C 19 174.193 173.110 1.083 1
1 213 . 6 1 1 A 19 19 CYS CA C 19 54.753 54.562 0.191 1
1 214 . 6 1 1 A 19 19 CYS CB C 19 43.915 43.736 0.179 1
1 215 . 6 1 1 A 19 19 CYS N N 19 126.193 125.029 1.164 1
1 216 . 6 1 1 A 20 20 ILE H H 20 10.001 8.986 1.015 1
1 217 . 6 1 1 A 20 20 ILE HA H 20 5.483 5.897 -0.414 1
1 227 . 6 1 1 A 20 20 ILE C C 20 176.355 174.439 1.916 1
1 228 . 6 1 1 A 20 20 ILE CA C 20 59.977 59.023 0.954 1
1 229 . 6 1 1 A 20 20 ILE CB C 20 42.458 42.428 0.030 1
1 233 . 6 1 1 A 20 20 ILE N N 20 119.415 120.031 -0.616 1
1 234 . 6 1 1 A 21 21 ASN H H 21 8.092 8.209 -0.117 1
1 235 . 6 1 1 A 21 21 ASN HA H 21 4.906 5.238 -0.332 1
1 240 . 6 1 1 A 21 21 ASN CA C 21 50.729 51.181 -0.452 1
1 241 . 6 1 1 A 21 21 ASN CB C 21 38.492 41.511 -3.019 1
1 245 . 6 1 1 A 22 22 HIS C C 22 174.724 176.387 -1.663 1
1 250 . 6 1 1 A 23 23 TYR H H 23 7.932 7.904 0.028 1
1 251 . 6 1 1 A 23 23 TYR HA H 23 4.785 4.509 0.276 1
1 258 . 6 1 1 A 23 23 TYR C C 23 176.186 175.933 0.253 1
1 259 . 6 1 1 A 23 23 TYR CA C 23 56.891 58.324 -1.433 1
1 260 . 6 1 1 A 23 23 TYR CB C 23 38.509 38.546 -0.037 1
1 265 . 6 1 1 A 23 23 TYR N N 23 117.160 117.439 -0.279 1
1 266 . 6 1 1 A 24 24 GLY HA2 H 24 4.411 4.040 0.371 1
1 267 . 6 1 1 A 24 24 GLY HA3 H 24 3.674 4.045 -0.371 1
1 268 . 6 1 1 A 24 24 GLY C C 24 174.895 174.955 -0.060 1
1 269 . 6 1 1 A 24 24 GLY CA C 24 45.377 45.153 0.224 1
1 270 . 6 1 1 A 25 25 GLY H H 25 8.418 8.195 0.223 1
1 271 . 6 1 1 A 25 25 GLY HA2 H 25 4.461 4.059 0.402 1
1 272 . 6 1 1 A 25 25 GLY HA3 H 25 3.737 4.128 -0.391 1
1 273 . 6 1 1 A 25 25 GLY C C 25 172.832 171.850 0.982 1
1 274 . 6 1 1 A 25 25 GLY CA C 25 44.602 45.863 -1.261 1
1 275 . 6 1 1 A 25 25 GLY N N 25 110.337 108.517 1.820 1
1 276 . 6 1 1 A 26 26 TYR H H 26 8.256 9.043 -0.787 1
1 277 . 6 1 1 A 26 26 TYR HA H 26 6.053 5.406 0.647 1
1 284 . 6 1 1 A 26 26 TYR C C 26 173.625 174.031 -0.406 1
1 285 . 6 1 1 A 26 26 TYR CA C 26 55.921 56.425 -0.504 1
1 286 . 6 1 1 A 26 26 TYR CB C 26 42.690 41.982 0.708 1
1 291 . 6 1 1 A 26 26 TYR N N 26 116.601 124.091 -7.490 1
1 292 . 6 1 1 A 27 27 LEU H H 27 9.227 8.802 0.425 1
1 293 . 6 1 1 A 27 27 LEU HA H 27 4.437 4.674 -0.237 1
1 303 . 6 1 1 A 27 27 LEU C C 27 175.019 175.352 -0.333 1
1 304 . 6 1 1 A 27 27 LEU CA C 27 53.999 53.176 0.823 1
1 305 . 6 1 1 A 27 27 LEU CB C 27 46.334 45.335 0.999 1
1 309 . 6 1 1 A 27 27 LEU N N 27 121.005 126.958 -5.953 1
1 310 . 6 1 1 A 28 28 CYS H H 28 8.801 8.742 0.059 1
1 311 . 6 1 1 A 28 28 CYS HA H 28 5.730 5.637 0.093 1
1 314 . 6 1 1 A 28 28 CYS C C 28 174.452 172.739 1.713 1
1 315 . 6 1 1 A 28 28 CYS CA C 28 51.978 54.598 -2.620 1
1 316 . 6 1 1 A 28 28 CYS CB C 28 37.734 44.065 -6.331 1
1 317 . 6 1 1 A 28 28 CYS N N 28 120.613 120.273 0.340 1
1 318 . 6 1 1 A 29 29 LEU H H 29 9.371 8.760 0.611 1
1 319 . 6 1 1 A 29 29 LEU HA H 29 4.891 4.727 0.164 1
1 329 . 6 1 1 A 29 29 LEU C C 29 173.339 174.537 -1.198 1
1 330 . 6 1 1 A 29 29 LEU CA C 29 51.743 52.156 -0.413 1
1 331 . 6 1 1 A 29 29 LEU CB C 29 44.633 42.366 2.267 1
1 335 . 6 1 1 A 29 29 LEU N N 29 127.550 126.573 0.977 1
1 336 . 6 1 1 A 30 30 PRO HA H 30 4.478 4.532 -0.054 1
1 343 . 6 1 1 A 30 30 PRO C C 30 177.206 177.118 0.088 1
1 344 . 6 1 1 A 30 30 PRO CA C 30 62.730 62.876 -0.146 1
1 345 . 6 1 1 A 30 30 PRO CB C 30 31.984 32.620 -0.636 1
1 348 . 6 1 1 A 31 31 ARG H H 31 8.856 8.876 -0.020 1
1 349 . 6 1 1 A 31 31 ARG HA H 31 4.189 4.282 -0.093 1
1 357 . 6 1 1 A 31 31 ARG C C 31 176.891 177.597 -0.706 1
1 358 . 6 1 1 A 31 31 ARG CA C 31 56.964 57.020 -0.056 1
1 359 . 6 1 1 A 31 31 ARG CB C 31 30.633 30.293 0.340 1
1 362 . 6 1 1 A 31 31 ARG N N 31 121.660 124.291 -2.631 1
1 364 . 6 1 1 A 32 32 SER H H 32 8.318 7.820 0.498 1
1 365 . 6 1 1 A 32 32 SER HA H 32 4.389 4.321 0.068 1
1 368 . 6 1 1 A 32 32 SER C C 32 174.251 174.787 -0.536 1
1 369 . 6 1 1 A 32 32 SER CA C 32 58.238 59.823 -1.585 1
1 370 . 6 1 1 A 32 32 SER CB C 32 63.821 62.998 0.823 1
1 371 . 6 1 1 A 32 32 SER N N 32 116.432 112.676 3.756 1
1 372 . 6 1 1 A 33 33 ALA H H 33 8.353 7.497 0.856 1
1 373 . 6 1 1 A 33 33 ALA HA H 33 4.307 4.343 -0.036 1
1 377 . 6 1 1 A 33 33 ALA C C 33 177.290 176.540 0.750 1
1 378 . 6 1 1 A 33 33 ALA CA C 33 52.515 51.708 0.807 1
1 379 . 6 1 1 A 33 33 ALA CB C 33 19.358 20.416 -1.058 1
1 380 . 6 1 1 A 33 33 ALA N N 33 126.203 124.681 1.522 1
1 381 . 6 1 1 A 34 34 ALA H H 34 8.178 8.432 -0.254 1
1 382 . 6 1 1 A 34 34 ALA HA H 34 4.280 4.914 -0.634 1
1 386 . 6 1 1 A 34 34 ALA C C 34 177.519 178.329 -0.810 1
1 387 . 6 1 1 A 34 34 ALA CA C 34 52.480 50.043 2.437 1
1 388 . 6 1 1 A 34 34 ALA CB C 34 19.250 22.416 -3.166 1
1 389 . 6 1 1 A 34 34 ALA N N 34 123.091 121.351 1.740 1
1 390 . 6 1 1 A 35 35 VAL H H 35 8.083 8.473 -0.390 1
1 391 . 6 1 1 A 35 35 VAL HA H 35 4.060 4.276 -0.216 1
1 399 . 6 1 1 A 35 35 VAL C C 35 176.050 176.245 -0.195 1
1 400 . 6 1 1 A 35 35 VAL CA C 35 62.297 62.001 0.296 1
1 401 . 6 1 1 A 35 35 VAL CB C 35 32.695 31.791 0.904 1
1 404 . 6 1 1 A 35 35 VAL N N 35 120.060 117.981 2.079 1
1 405 . 6 1 1 A 36 36 ILE H H 36 8.264 7.350 0.914 1
1 406 . 6 1 1 A 36 36 ILE HA H 36 4.141 4.213 -0.072 1
1 416 . 6 1 1 A 36 36 ILE C C 36 175.848 175.557 0.291 1
1 417 . 6 1 1 A 36 36 ILE CA C 36 60.924 60.142 0.782 1
1 418 . 6 1 1 A 36 36 ILE CB C 36 38.614 39.242 -0.628 1
1 422 . 6 1 1 A 36 36 ILE N N 36 125.147 119.747 5.400 1
1 423 . 6 1 1 A 37 37 ASN H H 37 8.501 8.665 -0.164 1
1 424 . 6 1 1 A 37 37 ASN HA H 37 4.702 4.911 -0.209 1
1 429 . 6 1 1 A 37 37 ASN C C 37 174.609 174.500 0.109 1
1 430 . 6 1 1 A 37 37 ASN CA C 37 53.143 52.518 0.625 1
1 431 . 6 1 1 A 37 37 ASN CB C 37 38.957 39.860 -0.903 1
1 432 . 6 1 1 A 37 37 ASN N N 37 123.292 122.049 1.243 1
1 434 . 6 1 1 A 38 38 ASP H H 38 8.326 9.073 -0.747 1
1 435 . 6 1 1 A 38 38 ASP HA H 38 4.562 4.184 0.378 1
1 438 . 6 1 1 A 38 38 ASP C C 38 176.188 176.632 -0.444 1
1 439 . 6 1 1 A 38 38 ASP CA C 38 54.218 54.749 -0.531 1
1 440 . 6 1 1 A 38 38 ASP CB C 38 41.133 39.513 1.620 1
1 441 . 6 1 1 A 38 38 ASP N N 38 121.317 126.430 -5.113 1
1 442 . 6 1 1 A 39 39 LEU H H 39 8.188 8.173 0.015 1
1 443 . 6 1 1 A 39 39 LEU HA H 39 4.242 4.725 -0.483 1
1 453 . 6 1 1 A 39 39 LEU C C 39 177.515 176.946 0.569 1
1 454 . 6 1 1 A 39 39 LEU CA C 39 55.501 53.565 1.936 1
1 455 . 6 1 1 A 39 39 LEU CB C 39 42.030 41.886 0.144 1
1 459 . 6 1 1 A 39 39 LEU N N 39 122.367 121.663 0.704 1
1 460 . 6 1 1 A 40 40 HIS H H 40 8.418 7.133 1.285 1
1 461 . 6 1 1 A 40 40 HIS HA H 40 4.636 4.411 0.225 1
1 466 . 6 1 1 A 40 40 HIS C C 40 175.495 176.321 -0.826 1
1 467 . 6 1 1 A 40 40 HIS CA C 40 55.920 57.063 -1.143 1
1 468 . 6 1 1 A 40 40 HIS CB C 40 29.633 30.001 -0.368 1
1 471 . 6 1 1 A 40 40 HIS N N 40 118.989 121.178 -2.189 1
1 474 . 6 1 1 A 41 41 GLY H H 41 8.258 8.899 -0.641 1
1 475 . 6 1 1 A 41 41 GLY HA2 H 41 3.969 3.792 0.177 1
1 476 . 6 1 1 A 41 41 GLY HA3 H 41 3.952 3.797 0.155 1
1 477 . 6 1 1 A 41 41 GLY C C 41 174.007 175.597 -1.590 1
1 478 . 6 1 1 A 41 41 GLY CA C 41 45.363 46.340 -0.977 1
1 479 . 6 1 1 A 41 41 GLY N N 41 109.714 112.606 -2.892 1
1 480 . 6 1 1 A 42 42 GLU H H 42 8.406 8.072 0.334 1
1 481 . 6 1 1 A 42 42 GLU HA H 42 4.378 4.086 0.292 1
1 486 . 6 1 1 A 42 42 GLU C C 42 176.668 176.678 -0.010 1
1 487 . 6 1 1 A 42 42 GLU CA C 42 56.278 58.901 -2.623 1
1 488 . 6 1 1 A 42 42 GLU CB C 42 30.473 30.232 0.241 1
1 490 . 6 1 1 A 42 42 GLU N N 42 120.561 119.732 0.829 1
1 491 . 6 1 1 A 43 43 GLY H H 43 8.284 7.416 0.868 1
1 492 . 6 1 1 A 43 43 GLY HA2 H 43 4.100 4.072 0.028 1
1 493 . 6 1 1 A 43 43 GLY HA3 H 43 4.099 4.082 0.017 1
1 494 . 6 1 1 A 43 43 GLY C C 43 171.027 171.274 -0.247 1
1 495 . 6 1 1 A 43 43 GLY CA C 43 44.399 45.630 -1.231 1
1 496 . 6 1 1 A 43 43 GLY N N 43 110.014 104.231 5.783 1
1 498 . 6 1 1 A 47 47 PRO C C 47 176.172 176.209 -0.037 1
1 499 . 6 1 1 A 47 47 PRO CB C 47 32.134 31.815 0.319 1
1 500 . 6 1 1 A 48 48 VAL H H 48 8.585 7.550 1.035 1
1 501 . 6 1 1 A 48 48 VAL HA H 48 4.438 4.560 -0.122 1
1 508 . 6 1 1 A 48 48 VAL C C 48 174.309 173.720 0.589 1
1 509 . 6 1 1 A 48 48 VAL CA C 48 59.190 58.845 0.345 1
1 512 . 6 1 1 A 48 48 VAL N N 48 125.965 116.481 9.484 1
1 513 . 6 1 1 A 50 50 PRO HA H 50 4.353 4.411 -0.058 1
1 520 . 6 1 1 A 50 50 PRO C C 50 176.824 176.013 0.811 1
1 521 . 6 1 1 A 50 50 PRO CA C 50 63.194 64.395 -1.201 1
1 522 . 6 1 1 A 50 50 PRO CB C 50 32.006 32.121 -0.115 1
1 525 . 6 1 1 A 51 51 ALA H H 51 8.301 7.298 1.003 1
1 526 . 6 1 1 A 51 51 ALA HA H 51 4.241 4.451 -0.210 1
1 530 . 6 1 1 A 51 51 ALA C C 51 177.617 177.020 0.597 1
1 531 . 6 1 1 A 51 51 ALA CA C 51 52.717 51.330 1.387 1
1 532 . 6 1 1 A 51 51 ALA CB C 51 19.211 21.843 -2.632 1
1 533 . 6 1 1 A 51 51 ALA N N 51 122.996 115.978 7.018 1
1 534 . 6 1 1 A 52 52 GLN H H 52 8.165 8.855 -0.690 1
1 535 . 6 1 1 A 52 52 GLN HA H 52 4.266 4.285 -0.019 1
1 542 . 6 1 1 A 52 52 GLN C C 52 175.394 174.902 0.492 1
1 543 . 6 1 1 A 52 52 GLN CA C 52 55.582 55.819 -0.237 1
1 544 . 6 1 1 A 52 52 GLN CB C 52 29.636 27.984 1.652 1
1 546 . 6 1 1 A 52 52 GLN N N 52 118.178 118.885 -0.707 1
1 548 . 6 1 1 A 53 53 HIS H H 53 8.395 7.566 0.829 1
1 549 . 6 1 1 A 53 53 HIS HA H 53 4.872 4.903 -0.031 1
1 554 . 6 1 1 A 53 53 HIS C C 53 173.260 175.055 -1.795 1
1 555 . 6 1 1 A 53 53 HIS CA C 53 54.036 53.855 0.181 1
1 556 . 6 1 1 A 53 53 HIS CB C 53 29.841 31.796 -1.955 1
1 559 . 6 1 1 A 53 53 HIS N N 53 121.522 118.429 3.093 1
1 562 . 6 1 1 A 54 54 PRO HA H 54 4.547 4.223 0.324 1
1 569 . 6 1 1 A 54 54 PRO C C 54 176.605 176.772 -0.167 1
1 570 . 6 1 1 A 54 54 PRO CA C 54 62.997 64.706 -1.709 1
1 571 . 6 1 1 A 54 54 PRO CB C 54 32.349 31.829 0.520 1
1 574 . 6 1 1 A 55 55 ASN H H 55 8.646 8.134 0.512 1
1 575 . 6 1 1 A 55 55 ASN HA H 55 4.969 4.392 0.577 1
1 580 . 6 1 1 A 55 55 ASN C C 55 171.312 175.745 -4.433 1
1 581 . 6 1 1 A 55 55 ASN CA C 55 50.412 53.578 -3.166 1
1 582 . 6 1 1 A 55 55 ASN CB C 55 39.150 36.999 2.151 1
1 583 . 6 1 1 A 55 55 ASN N N 55 119.583 114.018 5.565 1
1 585 . 6 1 1 A 56 56 PRO HA H 56 4.400 4.374 0.026 1
1 592 . 6 1 1 A 56 56 PRO C C 56 176.686 176.411 0.275 1
1 593 . 6 1 1 A 56 56 PRO CA C 56 63.273 64.293 -1.020 1
1 594 . 6 1 1 A 56 56 PRO CB C 56 31.783 31.439 0.344 1
1 597 . 6 1 1 A 57 57 CYS H H 57 7.831 8.057 -0.226 1
1 598 . 6 1 1 A 57 57 CYS HA H 57 4.443 4.608 -0.165 1
1 601 . 6 1 1 A 57 57 CYS C C 57 173.881 172.145 1.736 1
1 602 . 6 1 1 A 57 57 CYS CA C 57 59.103 55.645 3.458 1
1 603 . 6 1 1 A 57 57 CYS CB C 57 32.909 43.038 -10.129 1
1 604 . 6 1 1 A 57 57 CYS N N 57 119.502 118.370 1.132 1
1 605 . 6 1 1 A 59 59 PRO HA H 59 4.385 4.271 0.114 1
1 612 . 6 1 1 A 59 59 PRO C C 59 177.996 177.343 0.653 1
1 613 . 6 1 1 A 59 59 PRO CA C 59 64.249 63.856 0.393 1
1 614 . 6 1 1 A 59 59 PRO CB C 59 31.776 31.434 0.342 1
1 617 . 6 1 1 A 60 60 GLY H H 60 8.761 8.830 -0.069 1
1 618 . 6 1 1 A 60 60 GLY HA2 H 60 4.302 3.731 0.571 1
1 619 . 6 1 1 A 60 60 GLY HA3 H 60 3.619 3.756 -0.137 1
1 620 . 6 1 1 A 60 60 GLY C C 60 173.861 172.869 0.992 1
1 621 . 6 1 1 A 60 60 GLY CA C 60 44.888 45.038 -0.150 1
1 622 . 6 1 1 A 60 60 GLY N N 60 112.485 112.657 -0.172 1
1 623 . 6 1 1 A 61 61 TYR H H 61 8.522 7.934 0.588 1
1 624 . 6 1 1 A 61 61 TYR HA H 61 5.083 5.092 -0.009 1
1 631 . 6 1 1 A 61 61 TYR C C 61 174.910 174.725 0.185 1
1 632 . 6 1 1 A 61 61 TYR CA C 61 56.152 56.801 -0.649 1
1 633 . 6 1 1 A 61 61 TYR CB C 61 42.124 43.004 -0.880 1
1 638 . 6 1 1 A 61 61 TYR N N 61 118.801 119.220 -0.419 1
1 639 . 6 1 1 A 62 62 GLU H H 62 9.129 9.284 -0.155 1
1 640 . 6 1 1 A 62 62 GLU HA H 62 4.962 4.946 0.016 1
1 645 . 6 1 1 A 62 62 GLU C C 62 173.115 173.246 -0.131 1
1 646 . 6 1 1 A 62 62 GLU CA C 62 53.654 54.154 -0.500 1
1 647 . 6 1 1 A 62 62 GLU CB C 62 31.928 33.151 -1.223 1
1 649 . 6 1 1 A 62 62 GLU N N 62 118.016 119.340 -1.324 1
1 650 . 6 1 1 A 63 63 PRO HA H 63 4.743 4.660 0.083 1
1 657 . 6 1 1 A 63 63 PRO C C 63 177.040 175.401 1.639 1
1 658 . 6 1 1 A 63 63 PRO CA C 63 63.759 62.668 1.091 1
1 659 . 6 1 1 A 63 63 PRO CB C 63 32.352 31.923 0.429 1
1 662 . 6 1 1 A 64 64 ASP H H 64 8.595 8.703 -0.108 1
1 663 . 6 1 1 A 64 64 ASP HA H 64 4.679 4.911 -0.232 1
1 666 . 6 1 1 A 64 64 ASP C C 64 175.960 174.184 1.776 1
1 667 . 6 1 1 A 64 64 ASP CA C 64 53.790 52.735 1.055 1
1 668 . 6 1 1 A 64 64 ASP CB C 64 42.611 41.760 0.851 1
1 669 . 6 1 1 A 64 64 ASP N N 64 122.807 122.335 0.472 1
1 670 . 6 1 1 A 65 65 ASP H H 65 8.437 8.857 -0.420 1
1 671 . 6 1 1 A 65 65 ASP HA H 65 4.701 5.018 -0.317 1
1 674 . 6 1 1 A 65 65 ASP C C 65 176.412 175.595 0.817 1
1 675 . 6 1 1 A 65 65 ASP CA C 65 54.043 53.901 0.142 1
1 676 . 6 1 1 A 65 65 ASP CB C 65 41.279 41.228 0.051 1
1 677 . 6 1 1 A 65 65 ASP N N 65 124.473 126.892 -2.419 1
1 678 . 6 1 1 A 66 66 GLN H H 66 8.316 8.719 -0.403 1
1 679 . 6 1 1 A 66 66 GLN HA H 66 4.290 5.088 -0.798 1
1 686 . 6 1 1 A 66 66 GLN C C 66 175.877 174.473 1.404 1
1 687 . 6 1 1 A 66 66 GLN CA C 66 55.992 54.283 1.709 1
1 688 . 6 1 1 A 66 66 GLN CB C 66 29.565 31.322 -1.757 1
1 690 . 6 1 1 A 66 66 GLN N N 66 120.317 122.401 -2.084 1
1 692 . 6 1 1 A 67 67 ASP H H 67 8.438 8.899 -0.461 1
1 693 . 6 1 1 A 67 67 ASP HA H 67 4.619 4.756 -0.137 1
1 696 . 6 1 1 A 67 67 ASP C C 67 176.300 175.204 1.096 1
1 697 . 6 1 1 A 67 67 ASP CA C 67 54.535 54.603 -0.068 1
1 698 . 6 1 1 A 67 67 ASP CB C 67 41.210 40.727 0.483 1
1 699 . 6 1 1 A 67 67 ASP N N 67 121.942 125.535 -3.593 1
1 700 . 6 1 1 A 68 68 SER H H 68 8.274 9.041 -0.767 1
1 701 . 6 1 1 A 68 68 SER HA H 68 4.476 4.411 0.065 1
1 704 . 6 1 1 A 68 68 SER C C 68 174.516 174.322 0.194 1
1 705 . 6 1 1 A 68 68 SER CA C 68 58.615 57.572 1.043 1
1 706 . 6 1 1 A 68 68 SER CB C 68 63.911 60.645 3.266 1
1 707 . 6 1 1 A 68 68 SER N N 68 116.099 122.706 -6.607 1
1 708 . 6 1 1 A 69 69 CYS H H 69 8.589 8.522 0.067 1
1 709 . 6 1 1 A 69 69 CYS HA H 69 4.719 4.524 0.195 1
1 712 . 6 1 1 A 69 69 CYS C C 69 174.437 173.681 0.756 1
1 713 . 6 1 1 A 69 69 CYS CA C 69 55.620 58.655 -3.035 1
1 714 . 6 1 1 A 69 69 CYS CB C 69 40.727 43.545 -2.818 1
1 715 . 6 1 1 A 69 69 CYS N N 69 120.951 125.240 -4.289 1
1 716 . 6 1 1 A 70 70 VAL H H 70 8.150 7.789 0.361 1
1 717 . 6 1 1 A 70 70 VAL HA H 70 4.193 4.756 -0.563 1
1 725 . 6 1 1 A 70 70 VAL C C 70 174.771 174.131 0.640 1
1 726 . 6 1 1 A 70 70 VAL CA C 70 62.021 60.351 1.670 1
1 727 . 6 1 1 A 70 70 VAL CB C 70 33.168 35.464 -2.296 1
1 730 . 6 1 1 A 70 70 VAL N N 70 120.979 118.734 2.245 1
1 2 . 7 1 1 A 2 2 ASP H H 2 8.270 8.758 -0.488 1
1 3 . 7 1 1 A 2 2 ASP HA H 2 4.706 5.304 -0.598 1
1 6 . 7 1 1 A 2 2 ASP C C 2 176.240 174.680 1.560 1
1 7 . 7 1 1 A 2 2 ASP CA C 2 54.448 52.886 1.562 1
1 8 . 7 1 1 A 2 2 ASP CB C 2 41.396 45.372 -3.976 1
1 9 . 7 1 1 A 2 2 ASP N N 2 116.604 126.058 -9.454 1
1 10 . 7 1 1 A 3 3 VAL H H 3 8.197 8.548 -0.351 1
1 11 . 7 1 1 A 3 3 VAL HA H 3 4.090 4.586 -0.496 1
1 19 . 7 1 1 A 3 3 VAL C C 3 175.880 175.303 0.577 1
1 20 . 7 1 1 A 3 3 VAL CA C 3 62.509 61.102 1.407 1
1 21 . 7 1 1 A 3 3 VAL CB C 3 32.701 32.483 0.218 1
1 24 . 7 1 1 A 3 3 VAL N N 3 119.871 121.032 -1.161 1
1 25 . 7 1 1 A 4 4 ASN H H 4 8.502 9.080 -0.578 1
1 26 . 7 1 1 A 4 4 ASN HA H 4 4.700 5.377 -0.677 1
1 31 . 7 1 1 A 4 4 ASN C C 4 175.378 174.067 1.311 1
1 32 . 7 1 1 A 4 4 ASN CA C 4 53.427 51.362 2.065 1
1 33 . 7 1 1 A 4 4 ASN CB C 4 39.212 42.518 -3.306 1
1 34 . 7 1 1 A 4 4 ASN N N 4 121.932 122.829 -0.897 1
1 36 . 7 1 1 A 5 5 GLU H H 5 8.453 8.917 -0.464 1
1 37 . 7 1 1 A 5 5 GLU HA H 5 4.281 4.576 -0.295 1
1 42 . 7 1 1 A 5 5 GLU C C 5 176.502 178.064 -1.562 1
1 43 . 7 1 1 A 5 5 GLU CA C 5 56.925 55.315 1.610 1
1 44 . 7 1 1 A 5 5 GLU CB C 5 30.226 30.958 -0.732 1
1 46 . 7 1 1 A 5 5 GLU N N 5 122.108 120.121 1.987 1
1 47 . 7 1 1 A 6 6 CYS H H 6 8.519 8.689 -0.170 1
1 48 . 7 1 1 A 6 6 CYS HA H 6 4.605 4.337 0.268 1
1 51 . 7 1 1 A 6 6 CYS C C 6 174.876 175.407 -0.531 1
1 52 . 7 1 1 A 6 6 CYS CA C 6 56.068 58.661 -2.593 1
1 53 . 7 1 1 A 6 6 CYS CB C 6 40.544 42.254 -1.710 1
1 54 . 7 1 1 A 6 6 CYS N N 6 119.657 120.576 -0.919 1
1 55 . 7 1 1 A 7 7 LEU H H 7 8.372 7.683 0.689 1
1 56 . 7 1 1 A 7 7 LEU HA H 7 4.361 4.239 0.122 1
1 66 . 7 1 1 A 7 7 LEU C C 7 177.534 176.902 0.632 1
1 67 . 7 1 1 A 7 7 LEU CA C 7 55.778 56.172 -0.394 1
1 68 . 7 1 1 A 7 7 LEU CB C 7 42.554 41.950 0.604 1
1 72 . 7 1 1 A 7 7 LEU N N 7 123.198 116.413 6.785 1
1 73 . 7 1 1 A 8 8 THR H H 8 8.018 7.079 0.939 1
1 74 . 7 1 1 A 8 8 THR HA H 8 4.332 4.290 0.042 1
1 79 . 7 1 1 A 8 8 THR C C 8 174.296 174.773 -0.477 1
1 80 . 7 1 1 A 8 8 THR CA C 8 61.745 62.569 -0.824 1
1 81 . 7 1 1 A 8 8 THR CB C 8 69.529 69.576 -0.047 1
1 83 . 7 1 1 A 8 8 THR N N 8 113.232 116.075 -2.843 1
1 84 . 7 1 1 A 9 9 ILE H H 9 7.827 8.403 -0.576 1
1 85 . 7 1 1 A 9 9 ILE HA H 9 4.472 4.341 0.131 1
1 95 . 7 1 1 A 9 9 ILE C C 9 174.443 175.073 -0.630 1
1 96 . 7 1 1 A 9 9 ILE CA C 9 58.355 59.824 -1.469 1
1 97 . 7 1 1 A 9 9 ILE CB C 9 38.496 38.298 0.198 1
1 101 . 7 1 1 A 9 9 ILE N N 9 123.285 125.613 -2.328 1
1 102 . 7 1 1 A 10 10 PRO HA H 10 4.351 4.635 -0.284 1
1 109 . 7 1 1 A 10 10 PRO C C 10 177.207 176.820 0.387 1
1 110 . 7 1 1 A 10 10 PRO CA C 10 63.599 62.219 1.380 1
1 111 . 7 1 1 A 10 10 PRO CB C 10 31.965 29.098 2.867 1
1 114 . 7 1 1 A 11 11 GLU H H 11 8.555 9.039 -0.484 1
1 115 . 7 1 1 A 11 11 GLU HA H 11 4.053 4.270 -0.217 1
1 120 . 7 1 1 A 11 11 GLU C C 11 176.353 176.210 0.143 1
1 121 . 7 1 1 A 11 11 GLU CA C 11 56.955 56.605 0.350 1
1 122 . 7 1 1 A 11 11 GLU CB C 11 29.589 29.987 -0.398 1
1 124 . 7 1 1 A 11 11 GLU N N 11 120.562 123.037 -2.475 1
1 125 . 7 1 1 A 12 12 ALA H H 12 8.089 7.608 0.481 1
1 126 . 7 1 1 A 12 12 ALA HA H 12 4.233 4.807 -0.574 1
1 130 . 7 1 1 A 12 12 ALA C C 12 178.135 175.988 2.147 1
1 131 . 7 1 1 A 12 12 ALA CA C 12 53.092 50.370 2.722 1
1 132 . 7 1 1 A 12 12 ALA CB C 12 19.570 22.485 -2.915 1
1 133 . 7 1 1 A 12 12 ALA N N 12 123.927 120.701 3.226 1
1 134 . 7 1 1 A 13 13 CYS H H 13 8.725 8.629 0.096 1
1 135 . 7 1 1 A 13 13 CYS HA H 13 4.816 5.214 -0.398 1
1 138 . 7 1 1 A 13 13 CYS C C 13 175.490 173.381 2.109 1
1 139 . 7 1 1 A 13 13 CYS CA C 13 52.752 54.788 -2.036 1
1 140 . 7 1 1 A 13 13 CYS CB C 13 36.168 43.162 -6.994 1
1 141 . 7 1 1 A 13 13 CYS N N 13 114.120 118.109 -3.989 1
1 142 . 7 1 1 A 14 14 LYS H H 14 8.246 8.698 -0.452 1
1 143 . 7 1 1 A 14 14 LYS HA H 14 4.027 4.000 0.027 1
1 152 . 7 1 1 A 14 14 LYS C C 14 177.863 177.593 0.270 1
1 153 . 7 1 1 A 14 14 LYS CA C 14 58.289 58.083 0.206 1
1 154 . 7 1 1 A 14 14 LYS CB C 14 31.489 32.301 -0.812 1
1 158 . 7 1 1 A 14 14 LYS N N 14 121.767 125.763 -3.996 1
1 159 . 7 1 1 A 15 15 GLY H H 15 8.979 8.756 0.223 1
1 160 . 7 1 1 A 15 15 GLY HA2 H 15 4.161 3.912 0.249 1
1 161 . 7 1 1 A 15 15 GLY HA3 H 15 3.765 3.912 -0.147 1
1 162 . 7 1 1 A 15 15 GLY C C 15 173.903 173.482 0.421 1
1 163 . 7 1 1 A 15 15 GLY CA C 15 45.603 45.569 0.034 1
1 164 . 7 1 1 A 15 15 GLY N N 15 113.508 114.322 -0.814 1
1 165 . 7 1 1 A 16 16 GLU H H 16 8.027 7.646 0.381 1
1 166 . 7 1 1 A 16 16 GLU HA H 16 4.555 5.060 -0.505 1
1 171 . 7 1 1 A 16 16 GLU C C 16 174.310 175.010 -0.700 1
1 172 . 7 1 1 A 16 16 GLU CA C 16 55.213 54.357 0.856 1
1 173 . 7 1 1 A 16 16 GLU CB C 16 31.839 33.513 -1.674 1
1 175 . 7 1 1 A 16 16 GLU N N 16 120.692 119.430 1.262 1
1 176 . 7 1 1 A 17 17 MET H H 17 8.943 9.056 -0.113 1
1 177 . 7 1 1 A 17 17 MET HA H 17 4.584 4.989 -0.405 1
1 185 . 7 1 1 A 17 17 MET C C 17 173.801 174.872 -1.071 1
1 186 . 7 1 1 A 17 17 MET CA C 17 55.183 54.009 1.174 1
1 187 . 7 1 1 A 17 17 MET CB C 17 34.221 34.050 0.171 1
1 190 . 7 1 1 A 17 17 MET N N 17 120.713 120.180 0.533 1
1 191 . 7 1 1 A 18 18 LYS H H 18 8.789 8.574 0.215 1
1 192 . 7 1 1 A 18 18 LYS HA H 18 5.083 4.622 0.461 1
1 201 . 7 1 1 A 18 18 LYS C C 18 175.138 174.586 0.552 1
1 202 . 7 1 1 A 18 18 LYS CA C 18 55.726 55.334 0.392 1
1 203 . 7 1 1 A 18 18 LYS CB C 18 35.053 33.307 1.746 1
1 207 . 7 1 1 A 18 18 LYS N N 18 127.261 122.152 5.109 1
1 208 . 7 1 1 A 19 19 CYS H H 19 9.132 9.247 -0.115 1
1 209 . 7 1 1 A 19 19 CYS HA H 19 5.273 5.351 -0.078 1
1 212 . 7 1 1 A 19 19 CYS C C 19 174.193 173.185 1.008 1
1 213 . 7 1 1 A 19 19 CYS CA C 19 54.753 54.551 0.202 1
1 214 . 7 1 1 A 19 19 CYS CB C 19 43.915 43.586 0.329 1
1 215 . 7 1 1 A 19 19 CYS N N 19 126.193 124.643 1.550 1
1 216 . 7 1 1 A 20 20 ILE H H 20 10.001 8.872 1.129 1
1 217 . 7 1 1 A 20 20 ILE HA H 20 5.483 5.949 -0.466 1
1 227 . 7 1 1 A 20 20 ILE C C 20 176.355 174.439 1.916 1
1 228 . 7 1 1 A 20 20 ILE CA C 20 59.977 59.010 0.967 1
1 229 . 7 1 1 A 20 20 ILE CB C 20 42.458 42.453 0.005 1
1 233 . 7 1 1 A 20 20 ILE N N 20 119.415 119.908 -0.493 1
1 234 . 7 1 1 A 21 21 ASN H H 21 8.092 8.242 -0.150 1
1 235 . 7 1 1 A 21 21 ASN HA H 21 4.906 5.159 -0.253 1
1 240 . 7 1 1 A 21 21 ASN CA C 21 50.729 51.087 -0.358 1
1 241 . 7 1 1 A 21 21 ASN CB C 21 38.492 41.372 -2.880 1
1 245 . 7 1 1 A 22 22 HIS C C 22 174.724 177.356 -2.632 1
1 250 . 7 1 1 A 23 23 TYR H H 23 7.932 8.103 -0.171 1
1 251 . 7 1 1 A 23 23 TYR HA H 23 4.785 4.207 0.578 1
1 258 . 7 1 1 A 23 23 TYR C C 23 176.186 175.922 0.264 1
1 259 . 7 1 1 A 23 23 TYR CA C 23 56.891 61.216 -4.325 1
1 260 . 7 1 1 A 23 23 TYR CB C 23 38.509 39.029 -0.520 1
1 265 . 7 1 1 A 23 23 TYR N N 23 117.160 119.718 -2.558 1
1 266 . 7 1 1 A 24 24 GLY HA2 H 24 4.411 3.904 0.507 1
1 267 . 7 1 1 A 24 24 GLY HA3 H 24 3.674 4.020 -0.346 1
1 268 . 7 1 1 A 24 24 GLY C C 24 174.895 174.968 -0.073 1
1 269 . 7 1 1 A 24 24 GLY CA C 24 45.377 45.045 0.332 1
1 270 . 7 1 1 A 25 25 GLY H H 25 8.418 8.136 0.282 1
1 271 . 7 1 1 A 25 25 GLY HA2 H 25 4.461 4.053 0.408 1
1 272 . 7 1 1 A 25 25 GLY HA3 H 25 3.737 4.274 -0.537 1
1 273 . 7 1 1 A 25 25 GLY C C 25 172.832 171.939 0.893 1
1 274 . 7 1 1 A 25 25 GLY CA C 25 44.602 46.017 -1.415 1
1 275 . 7 1 1 A 25 25 GLY N N 25 110.337 108.499 1.838 1
1 276 . 7 1 1 A 26 26 TYR H H 26 8.256 8.928 -0.672 1
1 277 . 7 1 1 A 26 26 TYR HA H 26 6.053 5.326 0.727 1
1 284 . 7 1 1 A 26 26 TYR C C 26 173.625 174.043 -0.418 1
1 285 . 7 1 1 A 26 26 TYR CA C 26 55.921 56.379 -0.458 1
1 286 . 7 1 1 A 26 26 TYR CB C 26 42.690 41.628 1.062 1
1 291 . 7 1 1 A 26 26 TYR N N 26 116.601 124.294 -7.693 1
1 292 . 7 1 1 A 27 27 LEU H H 27 9.227 8.799 0.428 1
1 293 . 7 1 1 A 27 27 LEU HA H 27 4.437 4.657 -0.220 1
1 303 . 7 1 1 A 27 27 LEU C C 27 175.019 175.143 -0.124 1
1 304 . 7 1 1 A 27 27 LEU CA C 27 53.999 53.148 0.851 1
1 305 . 7 1 1 A 27 27 LEU CB C 27 46.334 45.836 0.498 1
1 309 . 7 1 1 A 27 27 LEU N N 27 121.005 126.854 -5.849 1
1 310 . 7 1 1 A 28 28 CYS H H 28 8.801 8.690 0.111 1
1 311 . 7 1 1 A 28 28 CYS HA H 28 5.730 5.545 0.185 1
1 314 . 7 1 1 A 28 28 CYS C C 28 174.452 172.327 2.125 1
1 315 . 7 1 1 A 28 28 CYS CA C 28 51.978 54.428 -2.450 1
1 316 . 7 1 1 A 28 28 CYS CB C 28 37.734 45.885 -8.151 1
1 317 . 7 1 1 A 28 28 CYS N N 28 120.613 120.404 0.209 1
1 318 . 7 1 1 A 29 29 LEU H H 29 9.371 9.044 0.327 1
1 319 . 7 1 1 A 29 29 LEU HA H 29 4.891 4.700 0.191 1
1 329 . 7 1 1 A 29 29 LEU C C 29 173.339 174.230 -0.891 1
1 330 . 7 1 1 A 29 29 LEU CA C 29 51.743 51.242 0.501 1
1 331 . 7 1 1 A 29 29 LEU CB C 29 44.633 45.291 -0.658 1
1 335 . 7 1 1 A 29 29 LEU N N 29 127.550 125.894 1.656 1
1 336 . 7 1 1 A 30 30 PRO HA H 30 4.478 4.459 0.019 1
1 343 . 7 1 1 A 30 30 PRO C C 30 177.206 177.542 -0.336 1
1 344 . 7 1 1 A 30 30 PRO CA C 30 62.730 63.433 -0.703 1
1 345 . 7 1 1 A 30 30 PRO CB C 30 31.984 32.127 -0.143 1
1 348 . 7 1 1 A 31 31 ARG H H 31 8.856 9.060 -0.204 1
1 349 . 7 1 1 A 31 31 ARG HA H 31 4.189 4.182 0.007 1
1 357 . 7 1 1 A 31 31 ARG C C 31 176.891 178.082 -1.191 1
1 358 . 7 1 1 A 31 31 ARG CA C 31 56.964 58.154 -1.190 1
1 359 . 7 1 1 A 31 31 ARG CB C 31 30.633 29.981 0.652 1
1 362 . 7 1 1 A 31 31 ARG N N 31 121.660 125.470 -3.810 1
1 364 . 7 1 1 A 32 32 SER H H 32 8.318 8.079 0.239 1
1 365 . 7 1 1 A 32 32 SER HA H 32 4.389 4.222 0.167 1
1 368 . 7 1 1 A 32 32 SER C C 32 174.251 174.456 -0.205 1
1 369 . 7 1 1 A 32 32 SER CA C 32 58.238 61.346 -3.108 1
1 370 . 7 1 1 A 32 32 SER CB C 32 63.821 62.907 0.914 1
1 371 . 7 1 1 A 32 32 SER N N 32 116.432 113.665 2.767 1
1 372 . 7 1 1 A 33 33 ALA H H 33 8.353 7.663 0.690 1
1 373 . 7 1 1 A 33 33 ALA HA H 33 4.307 4.867 -0.560 1
1 377 . 7 1 1 A 33 33 ALA C C 33 177.290 176.060 1.230 1
1 378 . 7 1 1 A 33 33 ALA CA C 33 52.515 50.760 1.755 1
1 379 . 7 1 1 A 33 33 ALA CB C 33 19.358 20.402 -1.044 1
1 380 . 7 1 1 A 33 33 ALA N N 33 126.203 122.061 4.142 1
1 381 . 7 1 1 A 34 34 ALA H H 34 8.178 8.605 -0.427 1
1 382 . 7 1 1 A 34 34 ALA HA H 34 4.280 4.872 -0.592 1
1 386 . 7 1 1 A 34 34 ALA C C 34 177.519 177.080 0.439 1
1 387 . 7 1 1 A 34 34 ALA CA C 34 52.480 50.387 2.093 1
1 388 . 7 1 1 A 34 34 ALA CB C 34 19.250 21.786 -2.536 1
1 389 . 7 1 1 A 34 34 ALA N N 34 123.091 125.713 -2.622 1
1 390 . 7 1 1 A 35 35 VAL H H 35 8.083 8.781 -0.698 1
1 391 . 7 1 1 A 35 35 VAL HA H 35 4.060 3.740 0.320 1
1 399 . 7 1 1 A 35 35 VAL C C 35 176.050 176.371 -0.321 1
1 400 . 7 1 1 A 35 35 VAL CA C 35 62.297 63.201 -0.904 1
1 401 . 7 1 1 A 35 35 VAL CB C 35 32.695 29.584 3.111 1
1 404 . 7 1 1 A 35 35 VAL N N 35 120.060 121.650 -1.590 1
1 405 . 7 1 1 A 36 36 ILE H H 36 8.264 8.079 0.185 1
1 406 . 7 1 1 A 36 36 ILE HA H 36 4.141 4.352 -0.211 1
1 416 . 7 1 1 A 36 36 ILE C C 36 175.848 174.853 0.995 1
1 417 . 7 1 1 A 36 36 ILE CA C 36 60.924 61.008 -0.084 1
1 418 . 7 1 1 A 36 36 ILE CB C 36 38.614 38.211 0.403 1
1 422 . 7 1 1 A 36 36 ILE N N 36 125.147 119.361 5.786 1
1 423 . 7 1 1 A 37 37 ASN H H 37 8.501 7.918 0.583 1
1 424 . 7 1 1 A 37 37 ASN HA H 37 4.702 5.288 -0.586 1
1 429 . 7 1 1 A 37 37 ASN C C 37 174.609 172.421 2.188 1
1 430 . 7 1 1 A 37 37 ASN CA C 37 53.143 51.442 1.701 1
1 431 . 7 1 1 A 37 37 ASN CB C 37 38.957 41.986 -3.029 1
1 432 . 7 1 1 A 37 37 ASN N N 37 123.292 118.079 5.213 1
1 434 . 7 1 1 A 38 38 ASP H H 38 8.326 9.077 -0.751 1
1 435 . 7 1 1 A 38 38 ASP HA H 38 4.562 5.296 -0.734 1
1 438 . 7 1 1 A 38 38 ASP C C 38 176.188 175.048 1.140 1
1 439 . 7 1 1 A 38 38 ASP CA C 38 54.218 52.893 1.325 1
1 440 . 7 1 1 A 38 38 ASP CB C 38 41.133 42.888 -1.755 1
1 441 . 7 1 1 A 38 38 ASP N N 38 121.317 124.944 -3.627 1
1 442 . 7 1 1 A 39 39 LEU H H 39 8.188 8.686 -0.498 1
1 443 . 7 1 1 A 39 39 LEU HA H 39 4.242 4.622 -0.380 1
1 453 . 7 1 1 A 39 39 LEU C C 39 177.515 177.291 0.224 1
1 454 . 7 1 1 A 39 39 LEU CA C 39 55.501 54.013 1.488 1
1 455 . 7 1 1 A 39 39 LEU CB C 39 42.030 43.733 -1.703 1
1 459 . 7 1 1 A 39 39 LEU N N 39 122.367 126.833 -4.466 1
1 460 . 7 1 1 A 40 40 HIS H H 40 8.418 9.046 -0.628 1
1 461 . 7 1 1 A 40 40 HIS HA H 40 4.636 4.455 0.181 1
1 466 . 7 1 1 A 40 40 HIS C C 40 175.495 174.803 0.692 1
1 467 . 7 1 1 A 40 40 HIS CA C 40 55.920 57.247 -1.327 1
1 468 . 7 1 1 A 40 40 HIS CB C 40 29.633 29.336 0.297 1
1 471 . 7 1 1 A 40 40 HIS N N 40 118.989 121.115 -2.126 1
1 474 . 7 1 1 A 41 41 GLY H H 41 8.258 8.041 0.217 1
1 475 . 7 1 1 A 41 41 GLY HA2 H 41 3.969 3.728 0.241 1
1 476 . 7 1 1 A 41 41 GLY HA3 H 41 3.952 3.792 0.160 1
1 477 . 7 1 1 A 41 41 GLY C C 41 174.007 172.916 1.091 1
1 478 . 7 1 1 A 41 41 GLY CA C 41 45.363 46.992 -1.629 1
1 479 . 7 1 1 A 41 41 GLY N N 41 109.714 107.105 2.609 1
1 480 . 7 1 1 A 42 42 GLU H H 42 8.406 8.631 -0.225 1
1 481 . 7 1 1 A 42 42 GLU HA H 42 4.378 4.604 -0.226 1
1 486 . 7 1 1 A 42 42 GLU C C 42 176.668 176.465 0.203 1
1 487 . 7 1 1 A 42 42 GLU CA C 42 56.278 54.961 1.317 1
1 488 . 7 1 1 A 42 42 GLU CB C 42 30.473 30.967 -0.494 1
1 490 . 7 1 1 A 42 42 GLU N N 42 120.561 123.082 -2.521 1
1 491 . 7 1 1 A 43 43 GLY H H 43 8.284 8.856 -0.572 1
1 492 . 7 1 1 A 43 43 GLY HA2 H 43 4.100 3.877 0.223 1
1 493 . 7 1 1 A 43 43 GLY HA3 H 43 4.099 3.884 0.215 1
1 494 . 7 1 1 A 43 43 GLY C C 43 171.027 173.715 -2.688 1
1 495 . 7 1 1 A 43 43 GLY CA C 43 44.399 45.291 -0.892 1
1 496 . 7 1 1 A 43 43 GLY N N 43 110.014 116.255 -6.241 1
1 498 . 7 1 1 A 47 47 PRO C C 47 176.172 176.564 -0.392 1
1 499 . 7 1 1 A 47 47 PRO CB C 47 32.134 32.112 0.022 1
1 500 . 7 1 1 A 48 48 VAL H H 48 8.585 7.856 0.729 1
1 501 . 7 1 1 A 48 48 VAL HA H 48 4.438 4.450 -0.012 1
1 508 . 7 1 1 A 48 48 VAL C C 48 174.309 174.306 0.003 1
1 509 . 7 1 1 A 48 48 VAL CA C 48 59.190 59.452 -0.262 1
1 512 . 7 1 1 A 48 48 VAL N N 48 125.965 117.825 8.140 1
1 513 . 7 1 1 A 50 50 PRO HA H 50 4.353 4.416 -0.063 1
1 520 . 7 1 1 A 50 50 PRO C C 50 176.824 176.368 0.456 1
1 521 . 7 1 1 A 50 50 PRO CA C 50 63.194 65.000 -1.806 1
1 522 . 7 1 1 A 50 50 PRO CB C 50 32.006 32.012 -0.006 1
1 525 . 7 1 1 A 51 51 ALA H H 51 8.301 7.529 0.772 1
1 526 . 7 1 1 A 51 51 ALA HA H 51 4.241 4.631 -0.390 1
1 530 . 7 1 1 A 51 51 ALA C C 51 177.617 175.590 2.027 1
1 531 . 7 1 1 A 51 51 ALA CA C 51 52.717 52.169 0.548 1
1 532 . 7 1 1 A 51 51 ALA CB C 51 19.211 21.010 -1.799 1
1 533 . 7 1 1 A 51 51 ALA N N 51 122.996 116.678 6.318 1
1 534 . 7 1 1 A 52 52 GLN H H 52 8.165 8.891 -0.726 1
1 535 . 7 1 1 A 52 52 GLN HA H 52 4.266 4.419 -0.153 1
1 542 . 7 1 1 A 52 52 GLN C C 52 175.394 174.279 1.115 1
1 543 . 7 1 1 A 52 52 GLN CA C 52 55.582 55.554 0.028 1
1 544 . 7 1 1 A 52 52 GLN CB C 52 29.636 28.012 1.624 1
1 546 . 7 1 1 A 52 52 GLN N N 52 118.178 124.848 -6.670 1
1 548 . 7 1 1 A 53 53 HIS H H 53 8.395 8.427 -0.032 1
1 549 . 7 1 1 A 53 53 HIS HA H 53 4.872 4.904 -0.032 1
1 554 . 7 1 1 A 53 53 HIS C C 53 173.260 175.226 -1.966 1
1 555 . 7 1 1 A 53 53 HIS CA C 53 54.036 54.081 -0.045 1
1 556 . 7 1 1 A 53 53 HIS CB C 53 29.841 31.134 -1.293 1
1 559 . 7 1 1 A 53 53 HIS N N 53 121.522 123.947 -2.425 1
1 562 . 7 1 1 A 54 54 PRO HA H 54 4.547 4.551 -0.004 1
1 569 . 7 1 1 A 54 54 PRO C C 54 176.605 176.793 -0.188 1
1 570 . 7 1 1 A 54 54 PRO CA C 54 62.997 64.656 -1.659 1
1 571 . 7 1 1 A 54 54 PRO CB C 54 32.349 31.836 0.513 1
1 574 . 7 1 1 A 55 55 ASN H H 55 8.646 8.143 0.503 1
1 575 . 7 1 1 A 55 55 ASN HA H 55 4.969 4.433 0.536 1
1 580 . 7 1 1 A 55 55 ASN C C 55 171.312 175.933 -4.621 1
1 581 . 7 1 1 A 55 55 ASN CA C 55 50.412 53.605 -3.193 1
1 582 . 7 1 1 A 55 55 ASN CB C 55 39.150 37.016 2.134 1
1 583 . 7 1 1 A 55 55 ASN N N 55 119.583 114.183 5.400 1
1 585 . 7 1 1 A 56 56 PRO HA H 56 4.400 4.454 -0.054 1
1 592 . 7 1 1 A 56 56 PRO C C 56 176.686 176.399 0.287 1
1 593 . 7 1 1 A 56 56 PRO CA C 56 63.273 64.187 -0.914 1
1 594 . 7 1 1 A 56 56 PRO CB C 56 31.783 31.465 0.318 1
1 597 . 7 1 1 A 57 57 CYS H H 57 7.831 7.958 -0.127 1
1 598 . 7 1 1 A 57 57 CYS HA H 57 4.443 4.661 -0.218 1
1 601 . 7 1 1 A 57 57 CYS C C 57 173.881 172.090 1.791 1
1 602 . 7 1 1 A 57 57 CYS CA C 57 59.103 55.556 3.547 1
1 603 . 7 1 1 A 57 57 CYS CB C 57 32.909 42.250 -9.341 1
1 604 . 7 1 1 A 57 57 CYS N N 57 119.502 117.965 1.537 1
1 605 . 7 1 1 A 59 59 PRO HA H 59 4.385 4.282 0.103 1
1 612 . 7 1 1 A 59 59 PRO C C 59 177.996 177.363 0.633 1
1 613 . 7 1 1 A 59 59 PRO CA C 59 64.249 63.994 0.255 1
1 614 . 7 1 1 A 59 59 PRO CB C 59 31.776 31.444 0.332 1
1 617 . 7 1 1 A 60 60 GLY H H 60 8.761 8.857 -0.096 1
1 618 . 7 1 1 A 60 60 GLY HA2 H 60 4.302 3.761 0.541 1
1 619 . 7 1 1 A 60 60 GLY HA3 H 60 3.619 3.815 -0.196 1
1 620 . 7 1 1 A 60 60 GLY C C 60 173.861 173.021 0.840 1
1 621 . 7 1 1 A 60 60 GLY CA C 60 44.888 45.046 -0.158 1
1 622 . 7 1 1 A 60 60 GLY N N 60 112.485 112.759 -0.274 1
1 623 . 7 1 1 A 61 61 TYR H H 61 8.522 7.981 0.541 1
1 624 . 7 1 1 A 61 61 TYR HA H 61 5.083 4.950 0.133 1
1 631 . 7 1 1 A 61 61 TYR C C 61 174.910 175.157 -0.247 1
1 632 . 7 1 1 A 61 61 TYR CA C 61 56.152 57.029 -0.877 1
1 633 . 7 1 1 A 61 61 TYR CB C 61 42.124 41.449 0.675 1
1 638 . 7 1 1 A 61 61 TYR N N 61 118.801 119.066 -0.265 1
1 639 . 7 1 1 A 62 62 GLU H H 62 9.129 9.415 -0.286 1
1 640 . 7 1 1 A 62 62 GLU HA H 62 4.962 5.077 -0.115 1
1 645 . 7 1 1 A 62 62 GLU C C 62 173.115 174.018 -0.903 1
1 646 . 7 1 1 A 62 62 GLU CA C 62 53.654 53.818 -0.164 1
1 647 . 7 1 1 A 62 62 GLU CB C 62 31.928 32.839 -0.911 1
1 649 . 7 1 1 A 62 62 GLU N N 62 118.016 119.848 -1.832 1
1 650 . 7 1 1 A 63 63 PRO HA H 63 4.743 4.703 0.040 1
1 657 . 7 1 1 A 63 63 PRO C C 63 177.040 175.696 1.344 1
1 658 . 7 1 1 A 63 63 PRO CA C 63 63.759 62.761 0.998 1
1 659 . 7 1 1 A 63 63 PRO CB C 63 32.352 31.962 0.390 1
1 662 . 7 1 1 A 64 64 ASP H H 64 8.595 8.872 -0.277 1
1 663 . 7 1 1 A 64 64 ASP HA H 64 4.679 4.943 -0.264 1
1 666 . 7 1 1 A 64 64 ASP C C 64 175.960 174.862 1.098 1
1 667 . 7 1 1 A 64 64 ASP CA C 64 53.790 53.173 0.617 1
1 668 . 7 1 1 A 64 64 ASP CB C 64 42.611 42.869 -0.258 1
1 669 . 7 1 1 A 64 64 ASP N N 64 122.807 122.415 0.392 1
1 670 . 7 1 1 A 65 65 ASP H H 65 8.437 8.690 -0.253 1
1 671 . 7 1 1 A 65 65 ASP HA H 65 4.701 4.943 -0.242 1
1 674 . 7 1 1 A 65 65 ASP C C 65 176.412 176.426 -0.014 1
1 675 . 7 1 1 A 65 65 ASP CA C 65 54.043 54.144 -0.101 1
1 676 . 7 1 1 A 65 65 ASP CB C 65 41.279 41.649 -0.370 1
1 677 . 7 1 1 A 65 65 ASP N N 65 124.473 126.574 -2.101 1
1 678 . 7 1 1 A 66 66 GLN H H 66 8.316 8.569 -0.253 1
1 679 . 7 1 1 A 66 66 GLN HA H 66 4.290 4.808 -0.518 1
1 686 . 7 1 1 A 66 66 GLN C C 66 175.877 175.789 0.088 1
1 687 . 7 1 1 A 66 66 GLN CA C 66 55.992 55.409 0.583 1
1 688 . 7 1 1 A 66 66 GLN CB C 66 29.565 29.817 -0.252 1
1 690 . 7 1 1 A 66 66 GLN N N 66 120.317 122.782 -2.465 1
1 692 . 7 1 1 A 67 67 ASP H H 67 8.438 8.663 -0.225 1
1 693 . 7 1 1 A 67 67 ASP HA H 67 4.619 4.979 -0.360 1
1 696 . 7 1 1 A 67 67 ASP C C 67 176.300 176.106 0.194 1
1 697 . 7 1 1 A 67 67 ASP CA C 67 54.535 53.710 0.825 1
1 698 . 7 1 1 A 67 67 ASP CB C 67 41.210 41.043 0.167 1
1 699 . 7 1 1 A 67 67 ASP N N 67 121.942 124.096 -2.154 1
1 700 . 7 1 1 A 68 68 SER H H 68 8.274 7.694 0.580 1
1 701 . 7 1 1 A 68 68 SER HA H 68 4.476 4.309 0.167 1
1 704 . 7 1 1 A 68 68 SER C C 68 174.516 175.469 -0.953 1
1 705 . 7 1 1 A 68 68 SER CA C 68 58.615 59.737 -1.122 1
1 706 . 7 1 1 A 68 68 SER CB C 68 63.911 62.288 1.623 1
1 707 . 7 1 1 A 68 68 SER N N 68 116.099 115.336 0.763 1
1 708 . 7 1 1 A 69 69 CYS H H 69 8.589 8.804 -0.215 1
1 709 . 7 1 1 A 69 69 CYS HA H 69 4.719 4.436 0.283 1
1 712 . 7 1 1 A 69 69 CYS C C 69 174.437 174.391 0.046 1
1 713 . 7 1 1 A 69 69 CYS CA C 69 55.620 58.234 -2.614 1
1 714 . 7 1 1 A 69 69 CYS CB C 69 40.727 42.574 -1.847 1
1 715 . 7 1 1 A 69 69 CYS N N 69 120.951 124.189 -3.238 1
1 716 . 7 1 1 A 70 70 VAL H H 70 8.150 7.451 0.699 1
1 717 . 7 1 1 A 70 70 VAL HA H 70 4.193 4.155 0.038 1
1 725 . 7 1 1 A 70 70 VAL C C 70 174.771 175.050 -0.279 1
1 726 . 7 1 1 A 70 70 VAL CA C 70 62.021 61.006 1.015 1
1 727 . 7 1 1 A 70 70 VAL CB C 70 33.168 32.929 0.239 1
1 730 . 7 1 1 A 70 70 VAL N N 70 120.979 118.879 2.100 1
1 2 . 8 1 1 A 2 2 ASP H H 2 8.270 8.984 -0.714 1
1 3 . 8 1 1 A 2 2 ASP HA H 2 4.706 4.501 0.205 1
1 6 . 8 1 1 A 2 2 ASP C C 2 176.240 175.850 0.390 1
1 7 . 8 1 1 A 2 2 ASP CA C 2 54.448 55.401 -0.953 1
1 8 . 8 1 1 A 2 2 ASP CB C 2 41.396 41.380 0.016 1
1 9 . 8 1 1 A 2 2 ASP N N 2 116.604 120.593 -3.989 1
1 10 . 8 1 1 A 3 3 VAL H H 3 8.197 7.683 0.514 1
1 11 . 8 1 1 A 3 3 VAL HA H 3 4.090 4.649 -0.559 1
1 19 . 8 1 1 A 3 3 VAL C C 3 175.880 173.327 2.553 1
1 20 . 8 1 1 A 3 3 VAL CA C 3 62.509 59.964 2.545 1
1 21 . 8 1 1 A 3 3 VAL CB C 3 32.701 35.587 -2.886 1
1 24 . 8 1 1 A 3 3 VAL N N 3 119.871 117.050 2.821 1
1 25 . 8 1 1 A 4 4 ASN H H 4 8.502 8.861 -0.359 1
1 26 . 8 1 1 A 4 4 ASN HA H 4 4.700 5.380 -0.680 1
1 31 . 8 1 1 A 4 4 ASN C C 4 175.378 174.123 1.255 1
1 32 . 8 1 1 A 4 4 ASN CA C 4 53.427 51.944 1.483 1
1 33 . 8 1 1 A 4 4 ASN CB C 4 39.212 41.231 -2.019 1
1 34 . 8 1 1 A 4 4 ASN N N 4 121.932 125.184 -3.252 1
1 36 . 8 1 1 A 5 5 GLU H H 5 8.453 8.579 -0.126 1
1 37 . 8 1 1 A 5 5 GLU HA H 5 4.281 4.742 -0.461 1
1 42 . 8 1 1 A 5 5 GLU C C 5 176.502 176.663 -0.161 1
1 43 . 8 1 1 A 5 5 GLU CA C 5 56.925 54.720 2.205 1
1 44 . 8 1 1 A 5 5 GLU CB C 5 30.226 32.543 -2.317 1
1 46 . 8 1 1 A 5 5 GLU N N 5 122.108 117.400 4.708 1
1 47 . 8 1 1 A 6 6 CYS H H 6 8.519 8.545 -0.026 1
1 48 . 8 1 1 A 6 6 CYS HA H 6 4.605 4.698 -0.093 1
1 51 . 8 1 1 A 6 6 CYS C C 6 174.876 174.425 0.451 1
1 52 . 8 1 1 A 6 6 CYS CA C 6 56.068 56.553 -0.485 1
1 53 . 8 1 1 A 6 6 CYS CB C 6 40.544 42.350 -1.806 1
1 54 . 8 1 1 A 6 6 CYS N N 6 119.657 120.445 -0.788 1
1 55 . 8 1 1 A 7 7 LEU H H 7 8.372 7.860 0.512 1
1 56 . 8 1 1 A 7 7 LEU HA H 7 4.361 4.404 -0.043 1
1 66 . 8 1 1 A 7 7 LEU C C 7 177.534 176.784 0.750 1
1 67 . 8 1 1 A 7 7 LEU CA C 7 55.778 55.319 0.459 1
1 68 . 8 1 1 A 7 7 LEU CB C 7 42.554 42.267 0.287 1
1 72 . 8 1 1 A 7 7 LEU N N 7 123.198 118.916 4.282 1
1 73 . 8 1 1 A 8 8 THR H H 8 8.018 7.568 0.450 1
1 74 . 8 1 1 A 8 8 THR HA H 8 4.332 4.296 0.036 1
1 79 . 8 1 1 A 8 8 THR C C 8 174.296 174.085 0.211 1
1 80 . 8 1 1 A 8 8 THR CA C 8 61.745 61.990 -0.245 1
1 81 . 8 1 1 A 8 8 THR CB C 8 69.529 70.120 -0.591 1
1 83 . 8 1 1 A 8 8 THR N N 8 113.232 116.048 -2.816 1
1 84 . 8 1 1 A 9 9 ILE H H 9 7.827 8.477 -0.650 1
1 85 . 8 1 1 A 9 9 ILE HA H 9 4.472 4.582 -0.110 1
1 95 . 8 1 1 A 9 9 ILE C C 9 174.443 175.003 -0.560 1
1 96 . 8 1 1 A 9 9 ILE CA C 9 58.355 57.411 0.944 1
1 97 . 8 1 1 A 9 9 ILE CB C 9 38.496 38.320 0.176 1
1 101 . 8 1 1 A 9 9 ILE N N 9 123.285 125.245 -1.960 1
1 102 . 8 1 1 A 10 10 PRO HA H 10 4.351 4.671 -0.320 1
1 109 . 8 1 1 A 10 10 PRO C C 10 177.207 176.859 0.348 1
1 110 . 8 1 1 A 10 10 PRO CA C 10 63.599 62.169 1.430 1
1 111 . 8 1 1 A 10 10 PRO CB C 10 31.965 29.185 2.780 1
1 114 . 8 1 1 A 11 11 GLU H H 11 8.555 8.518 0.037 1
1 115 . 8 1 1 A 11 11 GLU HA H 11 4.053 3.939 0.114 1
1 120 . 8 1 1 A 11 11 GLU C C 11 176.353 177.015 -0.662 1
1 121 . 8 1 1 A 11 11 GLU CA C 11 56.955 58.715 -1.760 1
1 122 . 8 1 1 A 11 11 GLU CB C 11 29.589 30.136 -0.547 1
1 124 . 8 1 1 A 11 11 GLU N N 11 120.562 123.059 -2.497 1
1 125 . 8 1 1 A 12 12 ALA H H 12 8.089 7.656 0.433 1
1 126 . 8 1 1 A 12 12 ALA HA H 12 4.233 4.534 -0.301 1
1 130 . 8 1 1 A 12 12 ALA C C 12 178.135 176.715 1.420 1
1 131 . 8 1 1 A 12 12 ALA CA C 12 53.092 51.885 1.207 1
1 132 . 8 1 1 A 12 12 ALA CB C 12 19.570 20.854 -1.284 1
1 133 . 8 1 1 A 12 12 ALA N N 12 123.927 120.768 3.159 1
1 134 . 8 1 1 A 13 13 CYS H H 13 8.725 8.734 -0.009 1
1 135 . 8 1 1 A 13 13 CYS HA H 13 4.816 5.221 -0.405 1
1 138 . 8 1 1 A 13 13 CYS C C 13 175.490 173.338 2.152 1
1 139 . 8 1 1 A 13 13 CYS CA C 13 52.752 54.677 -1.925 1
1 140 . 8 1 1 A 13 13 CYS CB C 13 36.168 43.188 -7.020 1
1 141 . 8 1 1 A 13 13 CYS N N 13 114.120 118.047 -3.927 1
1 142 . 8 1 1 A 14 14 LYS H H 14 8.246 8.703 -0.457 1
1 143 . 8 1 1 A 14 14 LYS HA H 14 4.027 3.936 0.091 1
1 152 . 8 1 1 A 14 14 LYS C C 14 177.863 177.565 0.298 1
1 153 . 8 1 1 A 14 14 LYS CA C 14 58.289 58.279 0.010 1
1 154 . 8 1 1 A 14 14 LYS CB C 14 31.489 32.025 -0.536 1
1 158 . 8 1 1 A 14 14 LYS N N 14 121.767 125.831 -4.064 1
1 159 . 8 1 1 A 15 15 GLY H H 15 8.979 8.770 0.209 1
1 160 . 8 1 1 A 15 15 GLY HA2 H 15 4.161 3.920 0.241 1
1 161 . 8 1 1 A 15 15 GLY HA3 H 15 3.765 3.921 -0.156 1
1 162 . 8 1 1 A 15 15 GLY C C 15 173.903 173.545 0.358 1
1 163 . 8 1 1 A 15 15 GLY CA C 15 45.603 45.587 0.016 1
1 164 . 8 1 1 A 15 15 GLY N N 15 113.508 114.431 -0.923 1
1 165 . 8 1 1 A 16 16 GLU H H 16 8.027 7.681 0.346 1
1 166 . 8 1 1 A 16 16 GLU HA H 16 4.555 4.901 -0.346 1
1 171 . 8 1 1 A 16 16 GLU C C 16 174.310 174.974 -0.664 1
1 172 . 8 1 1 A 16 16 GLU CA C 16 55.213 54.391 0.822 1
1 173 . 8 1 1 A 16 16 GLU CB C 16 31.839 33.521 -1.682 1
1 175 . 8 1 1 A 16 16 GLU N N 16 120.692 119.566 1.126 1
1 176 . 8 1 1 A 17 17 MET H H 17 8.943 8.586 0.357 1
1 177 . 8 1 1 A 17 17 MET HA H 17 4.584 4.966 -0.382 1
1 185 . 8 1 1 A 17 17 MET C C 17 173.801 175.542 -1.741 1
1 186 . 8 1 1 A 17 17 MET CA C 17 55.183 54.401 0.782 1
1 187 . 8 1 1 A 17 17 MET CB C 17 34.221 33.951 0.270 1
1 190 . 8 1 1 A 17 17 MET N N 17 120.713 120.226 0.487 1
1 191 . 8 1 1 A 18 18 LYS H H 18 8.789 8.723 0.066 1
1 192 . 8 1 1 A 18 18 LYS HA H 18 5.083 4.722 0.361 1
1 201 . 8 1 1 A 18 18 LYS C C 18 175.138 174.556 0.582 1
1 202 . 8 1 1 A 18 18 LYS CA C 18 55.726 54.907 0.819 1
1 203 . 8 1 1 A 18 18 LYS CB C 18 35.053 34.009 1.044 1
1 207 . 8 1 1 A 18 18 LYS N N 18 127.261 122.598 4.663 1
1 208 . 8 1 1 A 19 19 CYS H H 19 9.132 9.266 -0.134 1
1 209 . 8 1 1 A 19 19 CYS HA H 19 5.273 5.529 -0.256 1
1 212 . 8 1 1 A 19 19 CYS C C 19 174.193 173.037 1.156 1
1 213 . 8 1 1 A 19 19 CYS CA C 19 54.753 54.585 0.168 1
1 214 . 8 1 1 A 19 19 CYS CB C 19 43.915 43.974 -0.059 1
1 215 . 8 1 1 A 19 19 CYS N N 19 126.193 124.850 1.343 1
1 216 . 8 1 1 A 20 20 ILE H H 20 10.001 9.111 0.890 1
1 217 . 8 1 1 A 20 20 ILE HA H 20 5.483 5.744 -0.261 1
1 227 . 8 1 1 A 20 20 ILE C C 20 176.355 174.340 2.015 1
1 228 . 8 1 1 A 20 20 ILE CA C 20 59.977 58.984 0.993 1
1 229 . 8 1 1 A 20 20 ILE CB C 20 42.458 42.425 0.033 1
1 233 . 8 1 1 A 20 20 ILE N N 20 119.415 120.023 -0.608 1
1 234 . 8 1 1 A 21 21 ASN H H 21 8.092 8.196 -0.104 1
1 235 . 8 1 1 A 21 21 ASN HA H 21 4.906 5.104 -0.198 1
1 240 . 8 1 1 A 21 21 ASN CA C 21 50.729 51.033 -0.304 1
1 241 . 8 1 1 A 21 21 ASN CB C 21 38.492 41.768 -3.276 1
1 245 . 8 1 1 A 22 22 HIS C C 22 174.724 177.363 -2.639 1
1 250 . 8 1 1 A 23 23 TYR H H 23 7.932 8.024 -0.092 1
1 251 . 8 1 1 A 23 23 TYR HA H 23 4.785 4.230 0.555 1
1 258 . 8 1 1 A 23 23 TYR C C 23 176.186 175.831 0.355 1
1 259 . 8 1 1 A 23 23 TYR CA C 23 56.891 61.179 -4.288 1
1 260 . 8 1 1 A 23 23 TYR CB C 23 38.509 39.007 -0.498 1
1 265 . 8 1 1 A 23 23 TYR N N 23 117.160 120.505 -3.345 1
1 266 . 8 1 1 A 24 24 GLY HA2 H 24 4.411 3.946 0.465 1
1 267 . 8 1 1 A 24 24 GLY HA3 H 24 3.674 4.043 -0.369 1
1 268 . 8 1 1 A 24 24 GLY C C 24 174.895 174.741 0.154 1
1 269 . 8 1 1 A 24 24 GLY CA C 24 45.377 44.977 0.400 1
1 270 . 8 1 1 A 25 25 GLY H H 25 8.418 8.446 -0.028 1
1 271 . 8 1 1 A 25 25 GLY HA2 H 25 4.461 4.180 0.281 1
1 272 . 8 1 1 A 25 25 GLY HA3 H 25 3.737 4.211 -0.474 1
1 273 . 8 1 1 A 25 25 GLY C C 25 172.832 171.852 0.980 1
1 274 . 8 1 1 A 25 25 GLY CA C 25 44.602 45.723 -1.121 1
1 275 . 8 1 1 A 25 25 GLY N N 25 110.337 108.753 1.584 1
1 276 . 8 1 1 A 26 26 TYR H H 26 8.256 9.052 -0.796 1
1 277 . 8 1 1 A 26 26 TYR HA H 26 6.053 5.455 0.598 1
1 284 . 8 1 1 A 26 26 TYR C C 26 173.625 173.816 -0.191 1
1 285 . 8 1 1 A 26 26 TYR CA C 26 55.921 56.475 -0.554 1
1 286 . 8 1 1 A 26 26 TYR CB C 26 42.690 42.004 0.686 1
1 291 . 8 1 1 A 26 26 TYR N N 26 116.601 124.142 -7.541 1
1 292 . 8 1 1 A 27 27 LEU H H 27 9.227 8.774 0.453 1
1 293 . 8 1 1 A 27 27 LEU HA H 27 4.437 4.536 -0.099 1
1 303 . 8 1 1 A 27 27 LEU C C 27 175.019 175.070 -0.051 1
1 304 . 8 1 1 A 27 27 LEU CA C 27 53.999 53.142 0.857 1
1 305 . 8 1 1 A 27 27 LEU CB C 27 46.334 45.603 0.731 1
1 309 . 8 1 1 A 27 27 LEU N N 27 121.005 127.123 -6.118 1
1 310 . 8 1 1 A 28 28 CYS H H 28 8.801 8.527 0.274 1
1 311 . 8 1 1 A 28 28 CYS HA H 28 5.730 5.434 0.296 1
1 314 . 8 1 1 A 28 28 CYS C C 28 174.452 172.597 1.855 1
1 315 . 8 1 1 A 28 28 CYS CA C 28 51.978 54.245 -2.267 1
1 316 . 8 1 1 A 28 28 CYS CB C 28 37.734 43.609 -5.875 1
1 317 . 8 1 1 A 28 28 CYS N N 28 120.613 120.705 -0.092 1
1 318 . 8 1 1 A 29 29 LEU H H 29 9.371 8.765 0.606 1
1 319 . 8 1 1 A 29 29 LEU HA H 29 4.891 4.705 0.186 1
1 329 . 8 1 1 A 29 29 LEU C C 29 173.339 174.401 -1.062 1
1 330 . 8 1 1 A 29 29 LEU CA C 29 51.743 51.580 0.163 1
1 331 . 8 1 1 A 29 29 LEU CB C 29 44.633 44.001 0.632 1
1 335 . 8 1 1 A 29 29 LEU N N 29 127.550 126.202 1.348 1
1 336 . 8 1 1 A 30 30 PRO HA H 30 4.478 4.545 -0.067 1
1 343 . 8 1 1 A 30 30 PRO C C 30 177.206 177.357 -0.151 1
1 344 . 8 1 1 A 30 30 PRO CA C 30 62.730 62.881 -0.151 1
1 345 . 8 1 1 A 30 30 PRO CB C 30 31.984 32.583 -0.599 1
1 348 . 8 1 1 A 31 31 ARG H H 31 8.856 8.927 -0.071 1
1 349 . 8 1 1 A 31 31 ARG HA H 31 4.189 4.173 0.016 1
1 357 . 8 1 1 A 31 31 ARG C C 31 176.891 177.715 -0.824 1
1 358 . 8 1 1 A 31 31 ARG CA C 31 56.964 57.646 -0.682 1
1 359 . 8 1 1 A 31 31 ARG CB C 31 30.633 30.012 0.621 1
1 362 . 8 1 1 A 31 31 ARG N N 31 121.660 124.552 -2.892 1
1 364 . 8 1 1 A 32 32 SER H H 32 8.318 8.026 0.292 1
1 365 . 8 1 1 A 32 32 SER HA H 32 4.389 4.281 0.108 1
1 368 . 8 1 1 A 32 32 SER C C 32 174.251 174.921 -0.670 1
1 369 . 8 1 1 A 32 32 SER CA C 32 58.238 61.387 -3.149 1
1 370 . 8 1 1 A 32 32 SER CB C 32 63.821 63.063 0.758 1
1 371 . 8 1 1 A 32 32 SER N N 32 116.432 114.527 1.905 1
1 372 . 8 1 1 A 33 33 ALA H H 33 8.353 7.171 1.182 1
1 373 . 8 1 1 A 33 33 ALA HA H 33 4.307 4.392 -0.085 1
1 377 . 8 1 1 A 33 33 ALA C C 33 177.290 177.152 0.138 1
1 378 . 8 1 1 A 33 33 ALA CA C 33 52.515 51.641 0.874 1
1 379 . 8 1 1 A 33 33 ALA CB C 33 19.358 20.174 -0.816 1
1 380 . 8 1 1 A 33 33 ALA N N 33 126.203 122.377 3.826 1
1 381 . 8 1 1 A 34 34 ALA H H 34 8.178 8.778 -0.600 1
1 382 . 8 1 1 A 34 34 ALA HA H 34 4.280 4.554 -0.274 1
1 386 . 8 1 1 A 34 34 ALA C C 34 177.519 179.137 -1.618 1
1 387 . 8 1 1 A 34 34 ALA CA C 34 52.480 51.429 1.051 1
1 388 . 8 1 1 A 34 34 ALA CB C 34 19.250 19.788 -0.538 1
1 389 . 8 1 1 A 34 34 ALA N N 34 123.091 123.461 -0.370 1
1 390 . 8 1 1 A 35 35 VAL H H 35 8.083 8.624 -0.541 1
1 391 . 8 1 1 A 35 35 VAL HA H 35 4.060 4.360 -0.300 1
1 399 . 8 1 1 A 35 35 VAL C C 35 176.050 176.328 -0.278 1
1 400 . 8 1 1 A 35 35 VAL CA C 35 62.297 61.361 0.936 1
1 401 . 8 1 1 A 35 35 VAL CB C 35 32.695 31.822 0.873 1
1 404 . 8 1 1 A 35 35 VAL N N 35 120.060 118.394 1.666 1
1 405 . 8 1 1 A 36 36 ILE H H 36 8.264 7.370 0.894 1
1 406 . 8 1 1 A 36 36 ILE HA H 36 4.141 4.205 -0.064 1
1 416 . 8 1 1 A 36 36 ILE C C 36 175.848 175.818 0.030 1
1 417 . 8 1 1 A 36 36 ILE CA C 36 60.924 60.438 0.486 1
1 418 . 8 1 1 A 36 36 ILE CB C 36 38.614 39.317 -0.703 1
1 422 . 8 1 1 A 36 36 ILE N N 36 125.147 120.069 5.078 1
1 423 . 8 1 1 A 37 37 ASN H H 37 8.501 8.476 0.025 1
1 424 . 8 1 1 A 37 37 ASN HA H 37 4.702 4.672 0.030 1
1 429 . 8 1 1 A 37 37 ASN C C 37 174.609 173.687 0.922 1
1 430 . 8 1 1 A 37 37 ASN CA C 37 53.143 52.771 0.372 1
1 431 . 8 1 1 A 37 37 ASN CB C 37 38.957 37.908 1.049 1
1 432 . 8 1 1 A 37 37 ASN N N 37 123.292 122.026 1.266 1
1 434 . 8 1 1 A 38 38 ASP H H 38 8.326 8.294 0.032 1
1 435 . 8 1 1 A 38 38 ASP HA H 38 4.562 5.317 -0.755 1
1 438 . 8 1 1 A 38 38 ASP C C 38 176.188 174.461 1.727 1
1 439 . 8 1 1 A 38 38 ASP CA C 38 54.218 52.698 1.520 1
1 440 . 8 1 1 A 38 38 ASP CB C 38 41.133 45.124 -3.991 1
1 441 . 8 1 1 A 38 38 ASP N N 38 121.317 125.189 -3.872 1
1 442 . 8 1 1 A 39 39 LEU H H 39 8.188 8.785 -0.597 1
1 443 . 8 1 1 A 39 39 LEU HA H 39 4.242 4.611 -0.369 1
1 453 . 8 1 1 A 39 39 LEU C C 39 177.515 177.541 -0.026 1
1 454 . 8 1 1 A 39 39 LEU CA C 39 55.501 54.232 1.269 1
1 455 . 8 1 1 A 39 39 LEU CB C 39 42.030 42.607 -0.577 1
1 459 . 8 1 1 A 39 39 LEU N N 39 122.367 125.283 -2.916 1
1 460 . 8 1 1 A 40 40 HIS H H 40 8.418 9.257 -0.839 1
1 461 . 8 1 1 A 40 40 HIS HA H 40 4.636 4.124 0.512 1
1 466 . 8 1 1 A 40 40 HIS C C 40 175.495 175.495 0.000 1
1 467 . 8 1 1 A 40 40 HIS CA C 40 55.920 59.907 -3.987 1
1 468 . 8 1 1 A 40 40 HIS CB C 40 29.633 30.931 -1.298 1
1 471 . 8 1 1 A 40 40 HIS N N 40 118.989 124.262 -5.273 1
1 474 . 8 1 1 A 41 41 GLY H H 41 8.258 8.003 0.255 1
1 475 . 8 1 1 A 41 41 GLY HA2 H 41 3.969 3.785 0.184 1
1 476 . 8 1 1 A 41 41 GLY HA3 H 41 3.952 3.852 0.100 1
1 477 . 8 1 1 A 41 41 GLY C C 41 174.007 175.075 -1.068 1
1 478 . 8 1 1 A 41 41 GLY CA C 41 45.363 45.646 -0.283 1
1 479 . 8 1 1 A 41 41 GLY N N 41 109.714 105.989 3.725 1
1 480 . 8 1 1 A 42 42 GLU H H 42 8.406 8.641 -0.235 1
1 481 . 8 1 1 A 42 42 GLU HA H 42 4.378 4.486 -0.108 1
1 486 . 8 1 1 A 42 42 GLU C C 42 176.668 176.260 0.408 1
1 487 . 8 1 1 A 42 42 GLU CA C 42 56.278 56.020 0.258 1
1 488 . 8 1 1 A 42 42 GLU CB C 42 30.473 30.172 0.301 1
1 490 . 8 1 1 A 42 42 GLU N N 42 120.561 120.081 0.480 1
1 491 . 8 1 1 A 43 43 GLY H H 43 8.284 7.807 0.477 1
1 492 . 8 1 1 A 43 43 GLY HA2 H 43 4.100 4.033 0.067 1
1 493 . 8 1 1 A 43 43 GLY HA3 H 43 4.099 4.042 0.057 1
1 494 . 8 1 1 A 43 43 GLY C C 43 171.027 174.757 -3.730 1
1 495 . 8 1 1 A 43 43 GLY CA C 43 44.399 45.519 -1.120 1
1 496 . 8 1 1 A 43 43 GLY N N 43 110.014 107.336 2.678 1
1 498 . 8 1 1 A 47 47 PRO C C 47 176.172 175.348 0.824 1
1 499 . 8 1 1 A 47 47 PRO CB C 47 32.134 32.443 -0.309 1
1 500 . 8 1 1 A 48 48 VAL H H 48 8.585 8.323 0.262 1
1 501 . 8 1 1 A 48 48 VAL HA H 48 4.438 4.394 0.044 1
1 508 . 8 1 1 A 48 48 VAL C C 48 174.309 175.252 -0.943 1
1 509 . 8 1 1 A 48 48 VAL CA C 48 59.190 59.556 -0.366 1
1 512 . 8 1 1 A 48 48 VAL N N 48 125.965 121.172 4.793 1
1 513 . 8 1 1 A 50 50 PRO HA H 50 4.353 4.383 -0.030 1
1 520 . 8 1 1 A 50 50 PRO C C 50 176.824 176.067 0.757 1
1 521 . 8 1 1 A 50 50 PRO CA C 50 63.194 64.394 -1.200 1
1 522 . 8 1 1 A 50 50 PRO CB C 50 32.006 32.009 -0.003 1
1 525 . 8 1 1 A 51 51 ALA H H 51 8.301 7.334 0.967 1
1 526 . 8 1 1 A 51 51 ALA HA H 51 4.241 4.691 -0.450 1
1 530 . 8 1 1 A 51 51 ALA C C 51 177.617 175.431 2.186 1
1 531 . 8 1 1 A 51 51 ALA CA C 51 52.717 51.548 1.169 1
1 532 . 8 1 1 A 51 51 ALA CB C 51 19.211 22.324 -3.113 1
1 533 . 8 1 1 A 51 51 ALA N N 51 122.996 116.745 6.251 1
1 534 . 8 1 1 A 52 52 GLN H H 52 8.165 8.661 -0.496 1
1 535 . 8 1 1 A 52 52 GLN HA H 52 4.266 4.753 -0.487 1
1 542 . 8 1 1 A 52 52 GLN C C 52 175.394 173.929 1.465 1
1 543 . 8 1 1 A 52 52 GLN CA C 52 55.582 55.475 0.107 1
1 544 . 8 1 1 A 52 52 GLN CB C 52 29.636 33.308 -3.672 1
1 546 . 8 1 1 A 52 52 GLN N N 52 118.178 120.247 -2.069 1
1 548 . 8 1 1 A 53 53 HIS H H 53 8.395 8.700 -0.305 1
1 549 . 8 1 1 A 53 53 HIS HA H 53 4.872 4.899 -0.027 1
1 554 . 8 1 1 A 53 53 HIS C C 53 173.260 175.307 -2.047 1
1 555 . 8 1 1 A 53 53 HIS CA C 53 54.036 54.113 -0.077 1
1 556 . 8 1 1 A 53 53 HIS CB C 53 29.841 30.920 -1.079 1
1 559 . 8 1 1 A 53 53 HIS N N 53 121.522 120.997 0.525 1
1 562 . 8 1 1 A 54 54 PRO HA H 54 4.547 4.619 -0.072 1
1 569 . 8 1 1 A 54 54 PRO C C 54 176.605 176.890 -0.285 1
1 570 . 8 1 1 A 54 54 PRO CA C 54 62.997 65.010 -2.013 1
1 571 . 8 1 1 A 54 54 PRO CB C 54 32.349 31.862 0.487 1
1 574 . 8 1 1 A 55 55 ASN H H 55 8.646 8.167 0.479 1
1 575 . 8 1 1 A 55 55 ASN HA H 55 4.969 4.399 0.570 1
1 580 . 8 1 1 A 55 55 ASN C C 55 171.312 175.795 -4.483 1
1 581 . 8 1 1 A 55 55 ASN CA C 55 50.412 53.606 -3.194 1
1 582 . 8 1 1 A 55 55 ASN CB C 55 39.150 36.864 2.286 1
1 583 . 8 1 1 A 55 55 ASN N N 55 119.583 114.077 5.506 1
1 585 . 8 1 1 A 56 56 PRO HA H 56 4.400 4.548 -0.148 1
1 592 . 8 1 1 A 56 56 PRO C C 56 176.686 176.456 0.230 1
1 593 . 8 1 1 A 56 56 PRO CA C 56 63.273 64.514 -1.241 1
1 594 . 8 1 1 A 56 56 PRO CB C 56 31.783 31.430 0.353 1
1 597 . 8 1 1 A 57 57 CYS H H 57 7.831 8.105 -0.274 1
1 598 . 8 1 1 A 57 57 CYS HA H 57 4.443 4.692 -0.249 1
1 601 . 8 1 1 A 57 57 CYS C C 57 173.881 172.477 1.404 1
1 602 . 8 1 1 A 57 57 CYS CA C 57 59.103 55.643 3.460 1
1 603 . 8 1 1 A 57 57 CYS CB C 57 32.909 42.992 -10.083 1
1 604 . 8 1 1 A 57 57 CYS N N 57 119.502 117.844 1.658 1
1 605 . 8 1 1 A 59 59 PRO HA H 59 4.385 4.235 0.150 1
1 612 . 8 1 1 A 59 59 PRO C C 59 177.996 177.198 0.798 1
1 613 . 8 1 1 A 59 59 PRO CA C 59 64.249 63.968 0.281 1
1 614 . 8 1 1 A 59 59 PRO CB C 59 31.776 31.431 0.345 1
1 617 . 8 1 1 A 60 60 GLY H H 60 8.761 8.812 -0.051 1
1 618 . 8 1 1 A 60 60 GLY HA2 H 60 4.302 3.814 0.488 1
1 619 . 8 1 1 A 60 60 GLY HA3 H 60 3.619 3.863 -0.244 1
1 620 . 8 1 1 A 60 60 GLY C C 60 173.861 172.927 0.934 1
1 621 . 8 1 1 A 60 60 GLY CA C 60 44.888 45.120 -0.232 1
1 622 . 8 1 1 A 60 60 GLY N N 60 112.485 112.622 -0.137 1
1 623 . 8 1 1 A 61 61 TYR H H 61 8.522 8.208 0.314 1
1 624 . 8 1 1 A 61 61 TYR HA H 61 5.083 5.161 -0.078 1
1 631 . 8 1 1 A 61 61 TYR C C 61 174.910 175.229 -0.319 1
1 632 . 8 1 1 A 61 61 TYR CA C 61 56.152 56.444 -0.292 1
1 633 . 8 1 1 A 61 61 TYR CB C 61 42.124 42.208 -0.084 1
1 638 . 8 1 1 A 61 61 TYR N N 61 118.801 119.232 -0.431 1
1 639 . 8 1 1 A 62 62 GLU H H 62 9.129 9.203 -0.074 1
1 640 . 8 1 1 A 62 62 GLU HA H 62 4.962 5.051 -0.089 1
1 645 . 8 1 1 A 62 62 GLU C C 62 173.115 173.842 -0.727 1
1 646 . 8 1 1 A 62 62 GLU CA C 62 53.654 53.867 -0.213 1
1 647 . 8 1 1 A 62 62 GLU CB C 62 31.928 32.608 -0.680 1
1 649 . 8 1 1 A 62 62 GLU N N 62 118.016 121.405 -3.389 1
1 650 . 8 1 1 A 63 63 PRO HA H 63 4.743 4.683 0.060 1
1 657 . 8 1 1 A 63 63 PRO C C 63 177.040 174.941 2.099 1
1 658 . 8 1 1 A 63 63 PRO CA C 63 63.759 62.957 0.802 1
1 659 . 8 1 1 A 63 63 PRO CB C 63 32.352 32.317 0.035 1
1 662 . 8 1 1 A 64 64 ASP H H 64 8.595 8.671 -0.076 1
1 663 . 8 1 1 A 64 64 ASP HA H 64 4.679 4.985 -0.306 1
1 666 . 8 1 1 A 64 64 ASP C C 64 175.960 174.384 1.576 1
1 667 . 8 1 1 A 64 64 ASP CA C 64 53.790 52.898 0.892 1
1 668 . 8 1 1 A 64 64 ASP CB C 64 42.611 44.689 -2.078 1
1 669 . 8 1 1 A 64 64 ASP N N 64 122.807 121.898 0.909 1
1 670 . 8 1 1 A 65 65 ASP H H 65 8.437 8.894 -0.457 1
1 671 . 8 1 1 A 65 65 ASP HA H 65 4.701 5.100 -0.399 1
1 674 . 8 1 1 A 65 65 ASP C C 65 176.412 174.669 1.743 1
1 675 . 8 1 1 A 65 65 ASP CA C 65 54.043 53.461 0.582 1
1 676 . 8 1 1 A 65 65 ASP CB C 65 41.279 41.565 -0.286 1
1 677 . 8 1 1 A 65 65 ASP N N 65 124.473 125.472 -0.999 1
1 678 . 8 1 1 A 66 66 GLN H H 66 8.316 8.334 -0.018 1
1 679 . 8 1 1 A 66 66 GLN HA H 66 4.290 5.085 -0.795 1
1 686 . 8 1 1 A 66 66 GLN C C 66 175.877 175.679 0.198 1
1 687 . 8 1 1 A 66 66 GLN CA C 66 55.992 54.516 1.476 1
1 688 . 8 1 1 A 66 66 GLN CB C 66 29.565 30.277 -0.712 1
1 690 . 8 1 1 A 66 66 GLN N N 66 120.317 124.102 -3.785 1
1 692 . 8 1 1 A 67 67 ASP H H 67 8.438 8.823 -0.385 1
1 693 . 8 1 1 A 67 67 ASP HA H 67 4.619 4.472 0.147 1
1 696 . 8 1 1 A 67 67 ASP C C 67 176.300 176.501 -0.201 1
1 697 . 8 1 1 A 67 67 ASP CA C 67 54.535 56.885 -2.350 1
1 698 . 8 1 1 A 67 67 ASP CB C 67 41.210 41.567 -0.357 1
1 699 . 8 1 1 A 67 67 ASP N N 67 121.942 125.569 -3.627 1
1 700 . 8 1 1 A 68 68 SER H H 68 8.274 8.135 0.139 1
1 701 . 8 1 1 A 68 68 SER HA H 68 4.476 4.597 -0.121 1
1 704 . 8 1 1 A 68 68 SER C C 68 174.516 174.273 0.243 1
1 705 . 8 1 1 A 68 68 SER CA C 68 58.615 57.178 1.437 1
1 706 . 8 1 1 A 68 68 SER CB C 68 63.911 64.546 -0.635 1
1 707 . 8 1 1 A 68 68 SER N N 68 116.099 109.976 6.123 1
1 708 . 8 1 1 A 69 69 CYS H H 69 8.589 8.416 0.173 1
1 709 . 8 1 1 A 69 69 CYS HA H 69 4.719 4.444 0.275 1
1 712 . 8 1 1 A 69 69 CYS C C 69 174.437 174.161 0.276 1
1 713 . 8 1 1 A 69 69 CYS CA C 69 55.620 59.904 -4.284 1
1 714 . 8 1 1 A 69 69 CYS CB C 69 40.727 43.268 -2.541 1
1 715 . 8 1 1 A 69 69 CYS N N 69 120.951 119.553 1.398 1
1 716 . 8 1 1 A 70 70 VAL H H 70 8.150 7.135 1.015 1
1 717 . 8 1 1 A 70 70 VAL HA H 70 4.193 4.781 -0.588 1
1 725 . 8 1 1 A 70 70 VAL C C 70 174.771 174.469 0.302 1
1 726 . 8 1 1 A 70 70 VAL CA C 70 62.021 58.663 3.358 1
1 727 . 8 1 1 A 70 70 VAL CB C 70 33.168 35.388 -2.220 1
1 730 . 8 1 1 A 70 70 VAL N N 70 120.979 114.753 6.226 1
1 2 . 9 1 1 A 2 2 ASP H H 2 8.270 9.042 -0.772 1
1 3 . 9 1 1 A 2 2 ASP HA H 2 4.706 4.512 0.194 1
1 6 . 9 1 1 A 2 2 ASP C C 2 176.240 176.059 0.181 1
1 7 . 9 1 1 A 2 2 ASP CA C 2 54.448 57.066 -2.618 1
1 8 . 9 1 1 A 2 2 ASP CB C 2 41.396 40.219 1.177 1
1 9 . 9 1 1 A 2 2 ASP N N 2 116.604 125.282 -8.678 1
1 10 . 9 1 1 A 3 3 VAL H H 3 8.197 8.093 0.104 1
1 11 . 9 1 1 A 3 3 VAL HA H 3 4.090 4.298 -0.208 1
1 19 . 9 1 1 A 3 3 VAL C C 3 175.880 174.966 0.914 1
1 20 . 9 1 1 A 3 3 VAL CA C 3 62.509 62.278 0.231 1
1 21 . 9 1 1 A 3 3 VAL CB C 3 32.701 31.930 0.771 1
1 24 . 9 1 1 A 3 3 VAL N N 3 119.871 116.945 2.926 1
1 25 . 9 1 1 A 4 4 ASN H H 4 8.502 8.987 -0.485 1
1 26 . 9 1 1 A 4 4 ASN HA H 4 4.700 5.590 -0.890 1
1 31 . 9 1 1 A 4 4 ASN C C 4 175.378 173.219 2.159 1
1 32 . 9 1 1 A 4 4 ASN CA C 4 53.427 51.672 1.755 1
1 33 . 9 1 1 A 4 4 ASN CB C 4 39.212 43.002 -3.790 1
1 34 . 9 1 1 A 4 4 ASN N N 4 121.932 125.743 -3.811 1
1 36 . 9 1 1 A 5 5 GLU H H 5 8.453 8.733 -0.280 1
1 37 . 9 1 1 A 5 5 GLU HA H 5 4.281 4.752 -0.471 1
1 42 . 9 1 1 A 5 5 GLU C C 5 176.502 176.715 -0.213 1
1 43 . 9 1 1 A 5 5 GLU CA C 5 56.925 54.574 2.351 1
1 44 . 9 1 1 A 5 5 GLU CB C 5 30.226 32.565 -2.339 1
1 46 . 9 1 1 A 5 5 GLU N N 5 122.108 120.991 1.117 1
1 47 . 9 1 1 A 6 6 CYS H H 6 8.519 8.612 -0.093 1
1 48 . 9 1 1 A 6 6 CYS HA H 6 4.605 4.638 -0.033 1
1 51 . 9 1 1 A 6 6 CYS C C 6 174.876 174.578 0.298 1
1 52 . 9 1 1 A 6 6 CYS CA C 6 56.068 56.202 -0.134 1
1 53 . 9 1 1 A 6 6 CYS CB C 6 40.544 42.169 -1.625 1
1 54 . 9 1 1 A 6 6 CYS N N 6 119.657 118.697 0.960 1
1 55 . 9 1 1 A 7 7 LEU H H 7 8.372 7.888 0.484 1
1 56 . 9 1 1 A 7 7 LEU HA H 7 4.361 4.507 -0.146 1
1 66 . 9 1 1 A 7 7 LEU C C 7 177.534 176.769 0.765 1
1 67 . 9 1 1 A 7 7 LEU CA C 7 55.778 55.376 0.402 1
1 68 . 9 1 1 A 7 7 LEU CB C 7 42.554 42.373 0.181 1
1 72 . 9 1 1 A 7 7 LEU N N 7 123.198 117.325 5.873 1
1 73 . 9 1 1 A 8 8 THR H H 8 8.018 7.667 0.351 1
1 74 . 9 1 1 A 8 8 THR HA H 8 4.332 4.327 0.005 1
1 79 . 9 1 1 A 8 8 THR C C 8 174.296 174.402 -0.106 1
1 80 . 9 1 1 A 8 8 THR CA C 8 61.745 61.790 -0.045 1
1 81 . 9 1 1 A 8 8 THR CB C 8 69.529 70.199 -0.670 1
1 83 . 9 1 1 A 8 8 THR N N 8 113.232 116.025 -2.793 1
1 84 . 9 1 1 A 9 9 ILE H H 9 7.827 8.497 -0.670 1
1 85 . 9 1 1 A 9 9 ILE HA H 9 4.472 4.575 -0.103 1
1 95 . 9 1 1 A 9 9 ILE C C 9 174.443 175.123 -0.680 1
1 96 . 9 1 1 A 9 9 ILE CA C 9 58.355 58.385 -0.030 1
1 97 . 9 1 1 A 9 9 ILE CB C 9 38.496 37.832 0.664 1
1 101 . 9 1 1 A 9 9 ILE N N 9 123.285 125.235 -1.950 1
1 102 . 9 1 1 A 10 10 PRO HA H 10 4.351 4.692 -0.341 1
1 109 . 9 1 1 A 10 10 PRO C C 10 177.207 177.051 0.156 1
1 110 . 9 1 1 A 10 10 PRO CA C 10 63.599 62.202 1.397 1
1 111 . 9 1 1 A 10 10 PRO CB C 10 31.965 29.230 2.735 1
1 114 . 9 1 1 A 11 11 GLU H H 11 8.555 8.838 -0.283 1
1 115 . 9 1 1 A 11 11 GLU HA H 11 4.053 4.408 -0.355 1
1 120 . 9 1 1 A 11 11 GLU C C 11 176.353 176.702 -0.349 1
1 121 . 9 1 1 A 11 11 GLU CA C 11 56.955 56.514 0.441 1
1 122 . 9 1 1 A 11 11 GLU CB C 11 29.589 30.117 -0.528 1
1 124 . 9 1 1 A 11 11 GLU N N 11 120.562 122.815 -2.253 1
1 125 . 9 1 1 A 12 12 ALA H H 12 8.089 7.436 0.653 1
1 126 . 9 1 1 A 12 12 ALA HA H 12 4.233 4.730 -0.497 1
1 130 . 9 1 1 A 12 12 ALA C C 12 178.135 176.173 1.962 1
1 131 . 9 1 1 A 12 12 ALA CA C 12 53.092 50.904 2.188 1
1 132 . 9 1 1 A 12 12 ALA CB C 12 19.570 21.894 -2.324 1
1 133 . 9 1 1 A 12 12 ALA N N 12 123.927 121.675 2.252 1
1 134 . 9 1 1 A 13 13 CYS H H 13 8.725 8.677 0.048 1
1 135 . 9 1 1 A 13 13 CYS HA H 13 4.816 5.217 -0.401 1
1 138 . 9 1 1 A 13 13 CYS C C 13 175.490 173.334 2.156 1
1 139 . 9 1 1 A 13 13 CYS CA C 13 52.752 54.605 -1.853 1
1 140 . 9 1 1 A 13 13 CYS CB C 13 36.168 43.431 -7.263 1
1 141 . 9 1 1 A 13 13 CYS N N 13 114.120 117.931 -3.811 1
1 142 . 9 1 1 A 14 14 LYS H H 14 8.246 8.708 -0.462 1
1 143 . 9 1 1 A 14 14 LYS HA H 14 4.027 4.060 -0.033 1
1 152 . 9 1 1 A 14 14 LYS C C 14 177.863 177.474 0.389 1
1 153 . 9 1 1 A 14 14 LYS CA C 14 58.289 57.993 0.296 1
1 154 . 9 1 1 A 14 14 LYS CB C 14 31.489 32.311 -0.822 1
1 158 . 9 1 1 A 14 14 LYS N N 14 121.767 126.028 -4.261 1
1 159 . 9 1 1 A 15 15 GLY H H 15 8.979 8.788 0.191 1
1 160 . 9 1 1 A 15 15 GLY HA2 H 15 4.161 3.963 0.198 1
1 161 . 9 1 1 A 15 15 GLY HA3 H 15 3.765 3.963 -0.198 1
1 162 . 9 1 1 A 15 15 GLY C C 15 173.903 173.453 0.450 1
1 163 . 9 1 1 A 15 15 GLY CA C 15 45.603 45.278 0.325 1
1 164 . 9 1 1 A 15 15 GLY N N 15 113.508 114.427 -0.919 1
1 165 . 9 1 1 A 16 16 GLU H H 16 8.027 7.983 0.044 1
1 166 . 9 1 1 A 16 16 GLU HA H 16 4.555 4.817 -0.262 1
1 171 . 9 1 1 A 16 16 GLU C C 16 174.310 175.387 -1.077 1
1 172 . 9 1 1 A 16 16 GLU CA C 16 55.213 54.365 0.848 1
1 173 . 9 1 1 A 16 16 GLU CB C 16 31.839 32.757 -0.918 1
1 175 . 9 1 1 A 16 16 GLU N N 16 120.692 119.785 0.907 1
1 176 . 9 1 1 A 17 17 MET H H 17 8.943 8.404 0.539 1
1 177 . 9 1 1 A 17 17 MET HA H 17 4.584 4.913 -0.329 1
1 185 . 9 1 1 A 17 17 MET C C 17 173.801 175.486 -1.685 1
1 186 . 9 1 1 A 17 17 MET CA C 17 55.183 54.252 0.931 1
1 187 . 9 1 1 A 17 17 MET CB C 17 34.221 33.332 0.889 1
1 190 . 9 1 1 A 17 17 MET N N 17 120.713 120.150 0.563 1
1 191 . 9 1 1 A 18 18 LYS H H 18 8.789 8.558 0.231 1
1 192 . 9 1 1 A 18 18 LYS HA H 18 5.083 4.665 0.418 1
1 201 . 9 1 1 A 18 18 LYS C C 18 175.138 174.530 0.608 1
1 202 . 9 1 1 A 18 18 LYS CA C 18 55.726 54.758 0.968 1
1 203 . 9 1 1 A 18 18 LYS CB C 18 35.053 33.850 1.203 1
1 207 . 9 1 1 A 18 18 LYS N N 18 127.261 123.282 3.979 1
1 208 . 9 1 1 A 19 19 CYS H H 19 9.132 9.118 0.014 1
1 209 . 9 1 1 A 19 19 CYS HA H 19 5.273 5.363 -0.090 1
1 212 . 9 1 1 A 19 19 CYS C C 19 174.193 173.149 1.044 1
1 213 . 9 1 1 A 19 19 CYS CA C 19 54.753 54.496 0.257 1
1 214 . 9 1 1 A 19 19 CYS CB C 19 43.915 43.576 0.339 1
1 215 . 9 1 1 A 19 19 CYS N N 19 126.193 124.894 1.299 1
1 216 . 9 1 1 A 20 20 ILE H H 20 10.001 8.832 1.169 1
1 217 . 9 1 1 A 20 20 ILE HA H 20 5.483 5.890 -0.407 1
1 227 . 9 1 1 A 20 20 ILE C C 20 176.355 174.513 1.842 1
1 228 . 9 1 1 A 20 20 ILE CA C 20 59.977 59.050 0.927 1
1 229 . 9 1 1 A 20 20 ILE CB C 20 42.458 42.391 0.067 1
1 233 . 9 1 1 A 20 20 ILE N N 20 119.415 119.656 -0.241 1
1 234 . 9 1 1 A 21 21 ASN H H 21 8.092 8.150 -0.058 1
1 235 . 9 1 1 A 21 21 ASN HA H 21 4.906 5.304 -0.398 1
1 240 . 9 1 1 A 21 21 ASN CA C 21 50.729 51.048 -0.319 1
1 241 . 9 1 1 A 21 21 ASN CB C 21 38.492 41.656 -3.164 1
1 245 . 9 1 1 A 22 22 HIS C C 22 174.724 177.585 -2.861 1
1 250 . 9 1 1 A 23 23 TYR H H 23 7.932 8.066 -0.134 1
1 251 . 9 1 1 A 23 23 TYR HA H 23 4.785 4.293 0.492 1
1 258 . 9 1 1 A 23 23 TYR C C 23 176.186 175.869 0.317 1
1 259 . 9 1 1 A 23 23 TYR CA C 23 56.891 61.004 -4.113 1
1 260 . 9 1 1 A 23 23 TYR CB C 23 38.509 38.988 -0.479 1
1 265 . 9 1 1 A 23 23 TYR N N 23 117.160 119.526 -2.366 1
1 266 . 9 1 1 A 24 24 GLY HA2 H 24 4.411 3.930 0.481 1
1 267 . 9 1 1 A 24 24 GLY HA3 H 24 3.674 4.032 -0.358 1
1 268 . 9 1 1 A 24 24 GLY C C 24 174.895 174.992 -0.097 1
1 269 . 9 1 1 A 24 24 GLY CA C 24 45.377 45.031 0.346 1
1 270 . 9 1 1 A 25 25 GLY H H 25 8.418 8.321 0.097 1
1 271 . 9 1 1 A 25 25 GLY HA2 H 25 4.461 4.070 0.391 1
1 272 . 9 1 1 A 25 25 GLY HA3 H 25 3.737 4.109 -0.372 1
1 273 . 9 1 1 A 25 25 GLY C C 25 172.832 172.073 0.759 1
1 274 . 9 1 1 A 25 25 GLY CA C 25 44.602 45.965 -1.363 1
1 275 . 9 1 1 A 25 25 GLY N N 25 110.337 108.497 1.840 1
1 276 . 9 1 1 A 26 26 TYR H H 26 8.256 8.961 -0.705 1
1 277 . 9 1 1 A 26 26 TYR HA H 26 6.053 5.340 0.713 1
1 284 . 9 1 1 A 26 26 TYR C C 26 173.625 174.284 -0.659 1
1 285 . 9 1 1 A 26 26 TYR CA C 26 55.921 56.457 -0.536 1
1 286 . 9 1 1 A 26 26 TYR CB C 26 42.690 41.552 1.138 1
1 291 . 9 1 1 A 26 26 TYR N N 26 116.601 124.938 -8.337 1
1 292 . 9 1 1 A 27 27 LEU H H 27 9.227 8.670 0.557 1
1 293 . 9 1 1 A 27 27 LEU HA H 27 4.437 4.752 -0.315 1
1 303 . 9 1 1 A 27 27 LEU C C 27 175.019 175.160 -0.141 1
1 304 . 9 1 1 A 27 27 LEU CA C 27 53.999 53.276 0.723 1
1 305 . 9 1 1 A 27 27 LEU CB C 27 46.334 45.852 0.482 1
1 309 . 9 1 1 A 27 27 LEU N N 27 121.005 127.338 -6.333 1
1 310 . 9 1 1 A 28 28 CYS H H 28 8.801 8.907 -0.106 1
1 311 . 9 1 1 A 28 28 CYS HA H 28 5.730 5.528 0.202 1
1 314 . 9 1 1 A 28 28 CYS C C 28 174.452 172.536 1.916 1
1 315 . 9 1 1 A 28 28 CYS CA C 28 51.978 55.045 -3.067 1
1 316 . 9 1 1 A 28 28 CYS CB C 28 37.734 44.975 -7.241 1
1 317 . 9 1 1 A 28 28 CYS N N 28 120.613 120.883 -0.270 1
1 318 . 9 1 1 A 29 29 LEU H H 29 9.371 9.125 0.246 1
1 319 . 9 1 1 A 29 29 LEU HA H 29 4.891 4.682 0.209 1
1 329 . 9 1 1 A 29 29 LEU C C 29 173.339 174.676 -1.337 1
1 330 . 9 1 1 A 29 29 LEU CA C 29 51.743 52.582 -0.839 1
1 331 . 9 1 1 A 29 29 LEU CB C 29 44.633 40.947 3.686 1
1 335 . 9 1 1 A 29 29 LEU N N 29 127.550 127.015 0.535 1
1 336 . 9 1 1 A 30 30 PRO HA H 30 4.478 4.566 -0.088 1
1 343 . 9 1 1 A 30 30 PRO C C 30 177.206 177.468 -0.262 1
1 344 . 9 1 1 A 30 30 PRO CA C 30 62.730 62.810 -0.080 1
1 345 . 9 1 1 A 30 30 PRO CB C 30 31.984 32.598 -0.614 1
1 348 . 9 1 1 A 31 31 ARG H H 31 8.856 8.979 -0.123 1
1 349 . 9 1 1 A 31 31 ARG HA H 31 4.189 3.978 0.211 1
1 357 . 9 1 1 A 31 31 ARG C C 31 176.891 177.916 -1.025 1
1 358 . 9 1 1 A 31 31 ARG CA C 31 56.964 58.803 -1.839 1
1 359 . 9 1 1 A 31 31 ARG CB C 31 30.633 30.195 0.438 1
1 362 . 9 1 1 A 31 31 ARG N N 31 121.660 124.474 -2.814 1
1 364 . 9 1 1 A 32 32 SER H H 32 8.318 7.665 0.653 1
1 365 . 9 1 1 A 32 32 SER HA H 32 4.389 4.362 0.027 1
1 368 . 9 1 1 A 32 32 SER C C 32 174.251 174.837 -0.586 1
1 369 . 9 1 1 A 32 32 SER CA C 32 58.238 59.346 -1.108 1
1 370 . 9 1 1 A 32 32 SER CB C 32 63.821 63.410 0.411 1
1 371 . 9 1 1 A 32 32 SER N N 32 116.432 111.942 4.490 1
1 372 . 9 1 1 A 33 33 ALA H H 33 8.353 7.404 0.949 1
1 373 . 9 1 1 A 33 33 ALA HA H 33 4.307 4.336 -0.029 1
1 377 . 9 1 1 A 33 33 ALA C C 33 177.290 177.222 0.068 1
1 378 . 9 1 1 A 33 33 ALA CA C 33 52.515 51.889 0.626 1
1 379 . 9 1 1 A 33 33 ALA CB C 33 19.358 20.369 -1.011 1
1 380 . 9 1 1 A 33 33 ALA N N 33 126.203 124.959 1.244 1
1 381 . 9 1 1 A 34 34 ALA H H 34 8.178 8.762 -0.584 1
1 382 . 9 1 1 A 34 34 ALA HA H 34 4.280 4.475 -0.195 1
1 386 . 9 1 1 A 34 34 ALA C C 34 177.519 178.857 -1.338 1
1 387 . 9 1 1 A 34 34 ALA CA C 34 52.480 51.794 0.686 1
1 388 . 9 1 1 A 34 34 ALA CB C 34 19.250 19.373 -0.123 1
1 389 . 9 1 1 A 34 34 ALA N N 34 123.091 123.102 -0.011 1
1 390 . 9 1 1 A 35 35 VAL H H 35 8.083 8.649 -0.566 1
1 391 . 9 1 1 A 35 35 VAL HA H 35 4.060 4.154 -0.094 1
1 399 . 9 1 1 A 35 35 VAL C C 35 176.050 176.399 -0.349 1
1 400 . 9 1 1 A 35 35 VAL CA C 35 62.297 63.959 -1.662 1
1 401 . 9 1 1 A 35 35 VAL CB C 35 32.695 31.972 0.723 1
1 404 . 9 1 1 A 35 35 VAL N N 35 120.060 119.271 0.789 1
1 405 . 9 1 1 A 36 36 ILE H H 36 8.264 7.452 0.812 1
1 406 . 9 1 1 A 36 36 ILE HA H 36 4.141 4.357 -0.216 1
1 416 . 9 1 1 A 36 36 ILE C C 36 175.848 175.450 0.398 1
1 417 . 9 1 1 A 36 36 ILE CA C 36 60.924 59.587 1.337 1
1 418 . 9 1 1 A 36 36 ILE CB C 36 38.614 39.515 -0.901 1
1 422 . 9 1 1 A 36 36 ILE N N 36 125.147 119.443 5.704 1
1 423 . 9 1 1 A 37 37 ASN H H 37 8.501 8.544 -0.043 1
1 424 . 9 1 1 A 37 37 ASN HA H 37 4.702 4.579 0.123 1
1 429 . 9 1 1 A 37 37 ASN C C 37 174.609 174.306 0.303 1
1 430 . 9 1 1 A 37 37 ASN CA C 37 53.143 53.835 -0.692 1
1 431 . 9 1 1 A 37 37 ASN CB C 37 38.957 38.514 0.443 1
1 432 . 9 1 1 A 37 37 ASN N N 37 123.292 120.710 2.582 1
1 434 . 9 1 1 A 38 38 ASP H H 38 8.326 8.721 -0.395 1
1 435 . 9 1 1 A 38 38 ASP HA H 38 4.562 5.120 -0.558 1
1 438 . 9 1 1 A 38 38 ASP C C 38 176.188 174.076 2.112 1
1 439 . 9 1 1 A 38 38 ASP CA C 38 54.218 53.193 1.025 1
1 440 . 9 1 1 A 38 38 ASP CB C 38 41.133 44.948 -3.815 1
1 441 . 9 1 1 A 38 38 ASP N N 38 121.317 122.893 -1.576 1
1 442 . 9 1 1 A 39 39 LEU H H 39 8.188 8.405 -0.217 1
1 443 . 9 1 1 A 39 39 LEU HA H 39 4.242 4.951 -0.709 1
1 453 . 9 1 1 A 39 39 LEU C C 39 177.515 174.591 2.924 1
1 454 . 9 1 1 A 39 39 LEU CA C 39 55.501 53.785 1.716 1
1 455 . 9 1 1 A 39 39 LEU CB C 39 42.030 45.620 -3.590 1
1 459 . 9 1 1 A 39 39 LEU N N 39 122.367 119.773 2.594 1
1 460 . 9 1 1 A 40 40 HIS H H 40 8.418 8.644 -0.226 1
1 461 . 9 1 1 A 40 40 HIS HA H 40 4.636 5.191 -0.555 1
1 466 . 9 1 1 A 40 40 HIS C C 40 175.495 173.935 1.560 1
1 467 . 9 1 1 A 40 40 HIS CA C 40 55.920 54.369 1.551 1
1 468 . 9 1 1 A 40 40 HIS CB C 40 29.633 33.634 -4.001 1
1 471 . 9 1 1 A 40 40 HIS N N 40 118.989 117.456 1.533 1
1 474 . 9 1 1 A 41 41 GLY H H 41 8.258 8.451 -0.193 1
1 475 . 9 1 1 A 41 41 GLY HA2 H 41 3.969 4.139 -0.170 1
1 476 . 9 1 1 A 41 41 GLY HA3 H 41 3.952 4.144 -0.192 1
1 477 . 9 1 1 A 41 41 GLY C C 41 174.007 171.133 2.874 1
1 478 . 9 1 1 A 41 41 GLY CA C 41 45.363 44.725 0.638 1
1 479 . 9 1 1 A 41 41 GLY N N 41 109.714 108.113 1.601 1
1 480 . 9 1 1 A 42 42 GLU H H 42 8.406 8.632 -0.226 1
1 481 . 9 1 1 A 42 42 GLU HA H 42 4.378 4.799 -0.421 1
1 486 . 9 1 1 A 42 42 GLU C C 42 176.668 176.169 0.499 1
1 487 . 9 1 1 A 42 42 GLU CA C 42 56.278 56.027 0.251 1
1 488 . 9 1 1 A 42 42 GLU CB C 42 30.473 32.596 -2.123 1
1 490 . 9 1 1 A 42 42 GLU N N 42 120.561 120.621 -0.060 1
1 491 . 9 1 1 A 43 43 GLY H H 43 8.284 8.652 -0.368 1
1 492 . 9 1 1 A 43 43 GLY HA2 H 43 4.100 3.939 0.161 1
1 493 . 9 1 1 A 43 43 GLY HA3 H 43 4.099 3.939 0.160 1
1 494 . 9 1 1 A 43 43 GLY C C 43 171.027 174.040 -3.013 1
1 495 . 9 1 1 A 43 43 GLY CA C 43 44.399 44.546 -0.147 1
1 496 . 9 1 1 A 43 43 GLY N N 43 110.014 115.398 -5.384 1
1 498 . 9 1 1 A 47 47 PRO C C 47 176.172 174.642 1.530 1
1 499 . 9 1 1 A 47 47 PRO CB C 47 32.134 32.204 -0.070 1
1 500 . 9 1 1 A 48 48 VAL H H 48 8.585 7.451 1.134 1
1 501 . 9 1 1 A 48 48 VAL HA H 48 4.438 4.724 -0.286 1
1 508 . 9 1 1 A 48 48 VAL C C 48 174.309 173.555 0.754 1
1 509 . 9 1 1 A 48 48 VAL CA C 48 59.190 58.598 0.592 1
1 512 . 9 1 1 A 48 48 VAL N N 48 125.965 116.369 9.596 1
1 513 . 9 1 1 A 50 50 PRO HA H 50 4.353 4.407 -0.054 1
1 520 . 9 1 1 A 50 50 PRO C C 50 176.824 176.108 0.716 1
1 521 . 9 1 1 A 50 50 PRO CA C 50 63.194 64.717 -1.523 1
1 522 . 9 1 1 A 50 50 PRO CB C 50 32.006 32.257 -0.251 1
1 525 . 9 1 1 A 51 51 ALA H H 51 8.301 7.248 1.053 1
1 526 . 9 1 1 A 51 51 ALA HA H 51 4.241 4.479 -0.238 1
1 530 . 9 1 1 A 51 51 ALA C C 51 177.617 176.833 0.784 1
1 531 . 9 1 1 A 51 51 ALA CA C 51 52.717 50.989 1.728 1
1 532 . 9 1 1 A 51 51 ALA CB C 51 19.211 21.613 -2.402 1
1 533 . 9 1 1 A 51 51 ALA N N 51 122.996 115.903 7.093 1
1 534 . 9 1 1 A 52 52 GLN H H 52 8.165 8.556 -0.391 1
1 535 . 9 1 1 A 52 52 GLN HA H 52 4.266 4.286 -0.020 1
1 542 . 9 1 1 A 52 52 GLN C C 52 175.394 175.255 0.139 1
1 543 . 9 1 1 A 52 52 GLN CA C 52 55.582 57.185 -1.603 1
1 544 . 9 1 1 A 52 52 GLN CB C 52 29.636 29.166 0.470 1
1 546 . 9 1 1 A 52 52 GLN N N 52 118.178 117.491 0.687 1
1 548 . 9 1 1 A 53 53 HIS H H 53 8.395 7.729 0.666 1
1 549 . 9 1 1 A 53 53 HIS HA H 53 4.872 4.839 0.033 1
1 554 . 9 1 1 A 53 53 HIS C C 53 173.260 175.042 -1.782 1
1 555 . 9 1 1 A 53 53 HIS CA C 53 54.036 54.189 -0.153 1
1 556 . 9 1 1 A 53 53 HIS CB C 53 29.841 31.198 -1.357 1
1 559 . 9 1 1 A 53 53 HIS N N 53 121.522 117.892 3.630 1
1 562 . 9 1 1 A 54 54 PRO HA H 54 4.547 4.351 0.196 1
1 569 . 9 1 1 A 54 54 PRO C C 54 176.605 176.830 -0.225 1
1 570 . 9 1 1 A 54 54 PRO CA C 54 62.997 64.703 -1.706 1
1 571 . 9 1 1 A 54 54 PRO CB C 54 32.349 31.926 0.423 1
1 574 . 9 1 1 A 55 55 ASN H H 55 8.646 8.137 0.509 1
1 575 . 9 1 1 A 55 55 ASN HA H 55 4.969 4.438 0.531 1
1 580 . 9 1 1 A 55 55 ASN C C 55 171.312 175.917 -4.605 1
1 581 . 9 1 1 A 55 55 ASN CA C 55 50.412 53.601 -3.189 1
1 582 . 9 1 1 A 55 55 ASN CB C 55 39.150 36.897 2.253 1
1 583 . 9 1 1 A 55 55 ASN N N 55 119.583 114.175 5.408 1
1 585 . 9 1 1 A 56 56 PRO HA H 56 4.400 4.526 -0.126 1
1 592 . 9 1 1 A 56 56 PRO C C 56 176.686 176.047 0.639 1
1 593 . 9 1 1 A 56 56 PRO CA C 56 63.273 64.208 -0.935 1
1 594 . 9 1 1 A 56 56 PRO CB C 56 31.783 31.526 0.257 1
1 597 . 9 1 1 A 57 57 CYS H H 57 7.831 7.737 0.094 1
1 598 . 9 1 1 A 57 57 CYS HA H 57 4.443 4.656 -0.213 1
1 601 . 9 1 1 A 57 57 CYS C C 57 173.881 173.132 0.749 1
1 602 . 9 1 1 A 57 57 CYS CA C 57 59.103 54.866 4.237 1
1 603 . 9 1 1 A 57 57 CYS CB C 57 32.909 42.332 -9.423 1
1 604 . 9 1 1 A 57 57 CYS N N 57 119.502 114.616 4.886 1
1 605 . 9 1 1 A 59 59 PRO HA H 59 4.385 4.296 0.089 1
1 612 . 9 1 1 A 59 59 PRO C C 59 177.996 177.367 0.629 1
1 613 . 9 1 1 A 59 59 PRO CA C 59 64.249 63.928 0.321 1
1 614 . 9 1 1 A 59 59 PRO CB C 59 31.776 31.527 0.249 1
1 617 . 9 1 1 A 60 60 GLY H H 60 8.761 8.889 -0.128 1
1 618 . 9 1 1 A 60 60 GLY HA2 H 60 4.302 3.807 0.495 1
1 619 . 9 1 1 A 60 60 GLY HA3 H 60 3.619 3.835 -0.216 1
1 620 . 9 1 1 A 60 60 GLY C C 60 173.861 173.432 0.429 1
1 621 . 9 1 1 A 60 60 GLY CA C 60 44.888 45.083 -0.195 1
1 622 . 9 1 1 A 60 60 GLY N N 60 112.485 112.626 -0.141 1
1 623 . 9 1 1 A 61 61 TYR H H 61 8.522 7.695 0.827 1
1 624 . 9 1 1 A 61 61 TYR HA H 61 5.083 5.121 -0.038 1
1 631 . 9 1 1 A 61 61 TYR C C 61 174.910 175.127 -0.217 1
1 632 . 9 1 1 A 61 61 TYR CA C 61 56.152 57.096 -0.944 1
1 633 . 9 1 1 A 61 61 TYR CB C 61 42.124 42.678 -0.554 1
1 638 . 9 1 1 A 61 61 TYR N N 61 118.801 119.276 -0.475 1
1 639 . 9 1 1 A 62 62 GLU H H 62 9.129 9.374 -0.245 1
1 640 . 9 1 1 A 62 62 GLU HA H 62 4.962 5.045 -0.083 1
1 645 . 9 1 1 A 62 62 GLU C C 62 173.115 173.469 -0.354 1
1 646 . 9 1 1 A 62 62 GLU CA C 62 53.654 53.710 -0.056 1
1 647 . 9 1 1 A 62 62 GLU CB C 62 31.928 32.741 -0.813 1
1 649 . 9 1 1 A 62 62 GLU N N 62 118.016 119.464 -1.448 1
1 650 . 9 1 1 A 63 63 PRO HA H 63 4.743 4.748 -0.005 1
1 657 . 9 1 1 A 63 63 PRO C C 63 177.040 175.682 1.358 1
1 658 . 9 1 1 A 63 63 PRO CA C 63 63.759 62.433 1.326 1
1 659 . 9 1 1 A 63 63 PRO CB C 63 32.352 31.992 0.360 1
1 662 . 9 1 1 A 64 64 ASP H H 64 8.595 8.524 0.071 1
1 663 . 9 1 1 A 64 64 ASP HA H 64 4.679 4.970 -0.291 1
1 666 . 9 1 1 A 64 64 ASP C C 64 175.960 174.933 1.027 1
1 667 . 9 1 1 A 64 64 ASP CA C 64 53.790 53.260 0.530 1
1 668 . 9 1 1 A 64 64 ASP CB C 64 42.611 43.010 -0.399 1
1 669 . 9 1 1 A 64 64 ASP N N 64 122.807 122.008 0.799 1
1 670 . 9 1 1 A 65 65 ASP H H 65 8.437 8.697 -0.260 1
1 671 . 9 1 1 A 65 65 ASP HA H 65 4.701 4.833 -0.132 1
1 674 . 9 1 1 A 65 65 ASP C C 65 176.412 174.890 1.522 1
1 675 . 9 1 1 A 65 65 ASP CA C 65 54.043 53.794 0.249 1
1 676 . 9 1 1 A 65 65 ASP CB C 65 41.279 41.593 -0.314 1
1 677 . 9 1 1 A 65 65 ASP N N 65 124.473 125.094 -0.621 1
1 678 . 9 1 1 A 66 66 GLN H H 66 8.316 8.718 -0.402 1
1 679 . 9 1 1 A 66 66 GLN HA H 66 4.290 4.959 -0.669 1
1 686 . 9 1 1 A 66 66 GLN C C 66 175.877 173.814 2.063 1
1 687 . 9 1 1 A 66 66 GLN CA C 66 55.992 54.914 1.078 1
1 688 . 9 1 1 A 66 66 GLN CB C 66 29.565 29.803 -0.238 1
1 690 . 9 1 1 A 66 66 GLN N N 66 120.317 123.791 -3.474 1
1 692 . 9 1 1 A 67 67 ASP H H 67 8.438 9.095 -0.657 1
1 693 . 9 1 1 A 67 67 ASP HA H 67 4.619 5.010 -0.391 1
1 696 . 9 1 1 A 67 67 ASP C C 67 176.300 174.944 1.356 1
1 697 . 9 1 1 A 67 67 ASP CA C 67 54.535 53.767 0.768 1
1 698 . 9 1 1 A 67 67 ASP CB C 67 41.210 41.301 -0.091 1
1 699 . 9 1 1 A 67 67 ASP N N 67 121.942 126.718 -4.776 1
1 700 . 9 1 1 A 68 68 SER H H 68 8.274 8.387 -0.113 1
1 701 . 9 1 1 A 68 68 SER HA H 68 4.476 5.246 -0.770 1
1 704 . 9 1 1 A 68 68 SER C C 68 174.516 174.886 -0.370 1
1 705 . 9 1 1 A 68 68 SER CA C 68 58.615 56.725 1.890 1
1 706 . 9 1 1 A 68 68 SER CB C 68 63.911 64.903 -0.992 1
1 707 . 9 1 1 A 68 68 SER N N 68 116.099 116.380 -0.281 1
1 708 . 9 1 1 A 69 69 CYS H H 69 8.589 8.905 -0.316 1
1 709 . 9 1 1 A 69 69 CYS HA H 69 4.719 4.395 0.324 1
1 712 . 9 1 1 A 69 69 CYS C C 69 174.437 174.012 0.425 1
1 713 . 9 1 1 A 69 69 CYS CA C 69 55.620 57.660 -2.040 1
1 714 . 9 1 1 A 69 69 CYS CB C 69 40.727 42.388 -1.661 1
1 715 . 9 1 1 A 69 69 CYS N N 69 120.951 121.384 -0.433 1
1 716 . 9 1 1 A 70 70 VAL H H 70 8.150 7.453 0.697 1
1 717 . 9 1 1 A 70 70 VAL HA H 70 4.193 4.570 -0.377 1
1 725 . 9 1 1 A 70 70 VAL C C 70 174.771 174.323 0.448 1
1 726 . 9 1 1 A 70 70 VAL CA C 70 62.021 59.963 2.058 1
1 727 . 9 1 1 A 70 70 VAL CB C 70 33.168 33.717 -0.549 1
1 730 . 9 1 1 A 70 70 VAL N N 70 120.979 117.239 3.740 1
1 2 . 10 1 1 A 2 2 ASP H H 2 8.270 8.438 -0.168 1
1 3 . 10 1 1 A 2 2 ASP HA H 2 4.706 4.696 0.010 1
1 6 . 10 1 1 A 2 2 ASP C C 2 176.240 176.811 -0.571 1
1 7 . 10 1 1 A 2 2 ASP CA C 2 54.448 54.515 -0.067 1
1 8 . 10 1 1 A 2 2 ASP CB C 2 41.396 41.968 -0.572 1
1 9 . 10 1 1 A 2 2 ASP N N 2 116.604 127.792 -11.188 1
1 10 . 10 1 1 A 3 3 VAL H H 3 8.197 8.288 -0.091 1
1 11 . 10 1 1 A 3 3 VAL HA H 3 4.090 4.171 -0.081 1
1 19 . 10 1 1 A 3 3 VAL C C 3 175.880 176.277 -0.397 1
1 20 . 10 1 1 A 3 3 VAL CA C 3 62.509 62.971 -0.462 1
1 21 . 10 1 1 A 3 3 VAL CB C 3 32.701 31.351 1.350 1
1 24 . 10 1 1 A 3 3 VAL N N 3 119.871 121.099 -1.228 1
1 25 . 10 1 1 A 4 4 ASN H H 4 8.502 8.850 -0.348 1
1 26 . 10 1 1 A 4 4 ASN HA H 4 4.700 5.110 -0.410 1
1 31 . 10 1 1 A 4 4 ASN C C 4 175.378 174.264 1.114 1
1 32 . 10 1 1 A 4 4 ASN CA C 4 53.427 52.301 1.126 1
1 33 . 10 1 1 A 4 4 ASN CB C 4 39.212 42.482 -3.270 1
1 34 . 10 1 1 A 4 4 ASN N N 4 121.932 124.224 -2.292 1
1 36 . 10 1 1 A 5 5 GLU H H 5 8.453 8.630 -0.177 1
1 37 . 10 1 1 A 5 5 GLU HA H 5 4.281 4.367 -0.086 1
1 42 . 10 1 1 A 5 5 GLU C C 5 176.502 177.835 -1.333 1
1 43 . 10 1 1 A 5 5 GLU CA C 5 56.925 56.664 0.261 1
1 44 . 10 1 1 A 5 5 GLU CB C 5 30.226 30.514 -0.288 1
1 46 . 10 1 1 A 5 5 GLU N N 5 122.108 120.407 1.701 1
1 47 . 10 1 1 A 6 6 CYS H H 6 8.519 8.709 -0.190 1
1 48 . 10 1 1 A 6 6 CYS HA H 6 4.605 4.489 0.116 1
1 51 . 10 1 1 A 6 6 CYS C C 6 174.876 174.086 0.790 1
1 52 . 10 1 1 A 6 6 CYS CA C 6 56.068 56.868 -0.800 1
1 53 . 10 1 1 A 6 6 CYS CB C 6 40.544 41.571 -1.027 1
1 54 . 10 1 1 A 6 6 CYS N N 6 119.657 120.264 -0.607 1
1 55 . 10 1 1 A 7 7 LEU H H 7 8.372 7.893 0.479 1
1 56 . 10 1 1 A 7 7 LEU HA H 7 4.361 4.394 -0.033 1
1 66 . 10 1 1 A 7 7 LEU C C 7 177.534 176.837 0.697 1
1 67 . 10 1 1 A 7 7 LEU CA C 7 55.778 55.527 0.251 1
1 68 . 10 1 1 A 7 7 LEU CB C 7 42.554 41.904 0.650 1
1 72 . 10 1 1 A 7 7 LEU N N 7 123.198 118.587 4.611 1
1 73 . 10 1 1 A 8 8 THR H H 8 8.018 7.517 0.501 1
1 74 . 10 1 1 A 8 8 THR HA H 8 4.332 4.235 0.097 1
1 79 . 10 1 1 A 8 8 THR C C 8 174.296 174.892 -0.596 1
1 80 . 10 1 1 A 8 8 THR CA C 8 61.745 63.019 -1.274 1
1 81 . 10 1 1 A 8 8 THR CB C 8 69.529 69.800 -0.271 1
1 83 . 10 1 1 A 8 8 THR N N 8 113.232 116.440 -3.208 1
1 84 . 10 1 1 A 9 9 ILE H H 9 7.827 8.439 -0.612 1
1 85 . 10 1 1 A 9 9 ILE HA H 9 4.472 4.301 0.171 1
1 95 . 10 1 1 A 9 9 ILE C C 9 174.443 174.897 -0.454 1
1 96 . 10 1 1 A 9 9 ILE CA C 9 58.355 59.903 -1.548 1
1 97 . 10 1 1 A 9 9 ILE CB C 9 38.496 37.931 0.565 1
1 101 . 10 1 1 A 9 9 ILE N N 9 123.285 125.686 -2.401 1
1 102 . 10 1 1 A 10 10 PRO HA H 10 4.351 4.577 -0.226 1
1 109 . 10 1 1 A 10 10 PRO C C 10 177.207 177.216 -0.009 1
1 110 . 10 1 1 A 10 10 PRO CA C 10 63.599 62.326 1.273 1
1 111 . 10 1 1 A 10 10 PRO CB C 10 31.965 29.546 2.419 1
1 114 . 10 1 1 A 11 11 GLU H H 11 8.555 8.823 -0.268 1
1 115 . 10 1 1 A 11 11 GLU HA H 11 4.053 4.173 -0.120 1
1 120 . 10 1 1 A 11 11 GLU C C 11 176.353 176.550 -0.197 1
1 121 . 10 1 1 A 11 11 GLU CA C 11 56.955 56.960 -0.005 1
1 122 . 10 1 1 A 11 11 GLU CB C 11 29.589 29.594 -0.005 1
1 124 . 10 1 1 A 11 11 GLU N N 11 120.562 122.541 -1.979 1
1 125 . 10 1 1 A 12 12 ALA H H 12 8.089 7.520 0.569 1
1 126 . 10 1 1 A 12 12 ALA HA H 12 4.233 4.549 -0.316 1
1 130 . 10 1 1 A 12 12 ALA C C 12 178.135 176.792 1.343 1
1 131 . 10 1 1 A 12 12 ALA CA C 12 53.092 51.820 1.272 1
1 132 . 10 1 1 A 12 12 ALA CB C 12 19.570 20.971 -1.401 1
1 133 . 10 1 1 A 12 12 ALA N N 12 123.927 122.130 1.797 1
1 134 . 10 1 1 A 13 13 CYS H H 13 8.725 8.729 -0.004 1
1 135 . 10 1 1 A 13 13 CYS HA H 13 4.816 5.216 -0.400 1
1 138 . 10 1 1 A 13 13 CYS C C 13 175.490 173.271 2.219 1
1 139 . 10 1 1 A 13 13 CYS CA C 13 52.752 54.732 -1.980 1
1 140 . 10 1 1 A 13 13 CYS CB C 13 36.168 43.173 -7.005 1
1 141 . 10 1 1 A 13 13 CYS N N 13 114.120 118.033 -3.913 1
1 142 . 10 1 1 A 14 14 LYS H H 14 8.246 8.705 -0.459 1
1 143 . 10 1 1 A 14 14 LYS HA H 14 4.027 4.035 -0.008 1
1 152 . 10 1 1 A 14 14 LYS C C 14 177.863 177.540 0.323 1
1 153 . 10 1 1 A 14 14 LYS CA C 14 58.289 58.029 0.260 1
1 154 . 10 1 1 A 14 14 LYS CB C 14 31.489 32.256 -0.767 1
1 158 . 10 1 1 A 14 14 LYS N N 14 121.767 125.847 -4.080 1
1 159 . 10 1 1 A 15 15 GLY H H 15 8.979 8.761 0.218 1
1 160 . 10 1 1 A 15 15 GLY HA2 H 15 4.161 3.921 0.240 1
1 161 . 10 1 1 A 15 15 GLY HA3 H 15 3.765 3.922 -0.157 1
1 162 . 10 1 1 A 15 15 GLY C C 15 173.903 173.490 0.413 1
1 163 . 10 1 1 A 15 15 GLY CA C 15 45.603 45.565 0.038 1
1 164 . 10 1 1 A 15 15 GLY N N 15 113.508 114.591 -1.083 1
1 165 . 10 1 1 A 16 16 GLU H H 16 8.027 7.849 0.178 1
1 166 . 10 1 1 A 16 16 GLU HA H 16 4.555 4.826 -0.271 1
1 171 . 10 1 1 A 16 16 GLU C C 16 174.310 175.430 -1.120 1
1 172 . 10 1 1 A 16 16 GLU CA C 16 55.213 54.385 0.828 1
1 173 . 10 1 1 A 16 16 GLU CB C 16 31.839 32.743 -0.904 1
1 175 . 10 1 1 A 16 16 GLU N N 16 120.692 119.644 1.048 1
1 176 . 10 1 1 A 17 17 MET H H 17 8.943 8.633 0.310 1
1 177 . 10 1 1 A 17 17 MET HA H 17 4.584 5.042 -0.458 1
1 185 . 10 1 1 A 17 17 MET C C 17 173.801 175.349 -1.548 1
1 186 . 10 1 1 A 17 17 MET CA C 17 55.183 54.300 0.883 1
1 187 . 10 1 1 A 17 17 MET CB C 17 34.221 33.251 0.970 1
1 190 . 10 1 1 A 17 17 MET N N 17 120.713 120.190 0.523 1
1 191 . 10 1 1 A 18 18 LYS H H 18 8.789 8.809 -0.020 1
1 192 . 10 1 1 A 18 18 LYS HA H 18 5.083 4.742 0.341 1
1 201 . 10 1 1 A 18 18 LYS C C 18 175.138 174.691 0.447 1
1 202 . 10 1 1 A 18 18 LYS CA C 18 55.726 54.891 0.835 1
1 203 . 10 1 1 A 18 18 LYS CB C 18 35.053 33.863 1.190 1
1 207 . 10 1 1 A 18 18 LYS N N 18 127.261 123.293 3.968 1
1 208 . 10 1 1 A 19 19 CYS H H 19 9.132 9.247 -0.115 1
1 209 . 10 1 1 A 19 19 CYS HA H 19 5.273 5.431 -0.158 1
1 212 . 10 1 1 A 19 19 CYS C C 19 174.193 173.017 1.176 1
1 213 . 10 1 1 A 19 19 CYS CA C 19 54.753 54.545 0.208 1
1 214 . 10 1 1 A 19 19 CYS CB C 19 43.915 44.087 -0.172 1
1 215 . 10 1 1 A 19 19 CYS N N 19 126.193 124.847 1.346 1
1 216 . 10 1 1 A 20 20 ILE H H 20 10.001 9.104 0.897 1
1 217 . 10 1 1 A 20 20 ILE HA H 20 5.483 5.673 -0.190 1
1 227 . 10 1 1 A 20 20 ILE C C 20 176.355 175.177 1.178 1
1 228 . 10 1 1 A 20 20 ILE CA C 20 59.977 59.027 0.950 1
1 229 . 10 1 1 A 20 20 ILE CB C 20 42.458 42.339 0.119 1
1 233 . 10 1 1 A 20 20 ILE N N 20 119.415 120.044 -0.629 1
1 234 . 10 1 1 A 21 21 ASN H H 21 8.092 8.052 0.040 1
1 235 . 10 1 1 A 21 21 ASN HA H 21 4.906 4.813 0.093 1
1 240 . 10 1 1 A 21 21 ASN CA C 21 50.729 50.941 -0.212 1
1 241 . 10 1 1 A 21 21 ASN CB C 21 38.492 39.730 -1.238 1
1 245 . 10 1 1 A 22 22 HIS C C 22 174.724 176.427 -1.703 1
1 250 . 10 1 1 A 23 23 TYR H H 23 7.932 7.983 -0.051 1
1 251 . 10 1 1 A 23 23 TYR HA H 23 4.785 4.407 0.378 1
1 258 . 10 1 1 A 23 23 TYR C C 23 176.186 175.900 0.286 1
1 259 . 10 1 1 A 23 23 TYR CA C 23 56.891 60.524 -3.633 1
1 260 . 10 1 1 A 23 23 TYR CB C 23 38.509 39.022 -0.513 1
1 265 . 10 1 1 A 23 23 TYR N N 23 117.160 120.407 -3.247 1
1 266 . 10 1 1 A 24 24 GLY HA2 H 24 4.411 3.935 0.476 1
1 267 . 10 1 1 A 24 24 GLY HA3 H 24 3.674 4.025 -0.351 1
1 268 . 10 1 1 A 24 24 GLY C C 24 174.895 174.930 -0.035 1
1 269 . 10 1 1 A 24 24 GLY CA C 24 45.377 44.965 0.412 1
1 270 . 10 1 1 A 25 25 GLY H H 25 8.418 8.232 0.186 1
1 271 . 10 1 1 A 25 25 GLY HA2 H 25 4.461 4.058 0.403 1
1 272 . 10 1 1 A 25 25 GLY HA3 H 25 3.737 4.171 -0.434 1
1 273 . 10 1 1 A 25 25 GLY C C 25 172.832 172.100 0.732 1
1 274 . 10 1 1 A 25 25 GLY CA C 25 44.602 45.912 -1.310 1
1 275 . 10 1 1 A 25 25 GLY N N 25 110.337 108.151 2.186 1
1 276 . 10 1 1 A 26 26 TYR H H 26 8.256 8.824 -0.568 1
1 277 . 10 1 1 A 26 26 TYR HA H 26 6.053 5.290 0.763 1
1 284 . 10 1 1 A 26 26 TYR C C 26 173.625 174.333 -0.708 1
1 285 . 10 1 1 A 26 26 TYR CA C 26 55.921 56.654 -0.733 1
1 286 . 10 1 1 A 26 26 TYR CB C 26 42.690 41.511 1.179 1
1 291 . 10 1 1 A 26 26 TYR N N 26 116.601 125.924 -9.323 1
1 292 . 10 1 1 A 27 27 LEU H H 27 9.227 8.562 0.665 1
1 293 . 10 1 1 A 27 27 LEU HA H 27 4.437 4.562 -0.125 1
1 303 . 10 1 1 A 27 27 LEU C C 27 175.019 175.014 0.005 1
1 304 . 10 1 1 A 27 27 LEU CA C 27 53.999 52.926 1.073 1
1 305 . 10 1 1 A 27 27 LEU CB C 27 46.334 45.397 0.937 1
1 309 . 10 1 1 A 27 27 LEU N N 27 121.005 127.378 -6.373 1
1 310 . 10 1 1 A 28 28 CYS H H 28 8.801 8.645 0.156 1
1 311 . 10 1 1 A 28 28 CYS HA H 28 5.730 5.502 0.228 1
1 314 . 10 1 1 A 28 28 CYS C C 28 174.452 172.620 1.832 1
1 315 . 10 1 1 A 28 28 CYS CA C 28 51.978 54.168 -2.190 1
1 316 . 10 1 1 A 28 28 CYS CB C 28 37.734 43.966 -6.232 1
1 317 . 10 1 1 A 28 28 CYS N N 28 120.613 120.631 -0.018 1
1 318 . 10 1 1 A 29 29 LEU H H 29 9.371 9.089 0.282 1
1 319 . 10 1 1 A 29 29 LEU HA H 29 4.891 4.706 0.185 1
1 329 . 10 1 1 A 29 29 LEU C C 29 173.339 174.132 -0.793 1
1 330 . 10 1 1 A 29 29 LEU CA C 29 51.743 51.330 0.413 1
1 331 . 10 1 1 A 29 29 LEU CB C 29 44.633 45.133 -0.500 1
1 335 . 10 1 1 A 29 29 LEU N N 29 127.550 125.187 2.363 1
1 336 . 10 1 1 A 30 30 PRO HA H 30 4.478 4.544 -0.066 1
1 343 . 10 1 1 A 30 30 PRO C C 30 177.206 177.210 -0.004 1
1 344 . 10 1 1 A 30 30 PRO CA C 30 62.730 62.848 -0.118 1
1 345 . 10 1 1 A 30 30 PRO CB C 30 31.984 32.649 -0.665 1
1 348 . 10 1 1 A 31 31 ARG H H 31 8.856 8.964 -0.108 1
1 349 . 10 1 1 A 31 31 ARG HA H 31 4.189 4.202 -0.013 1
1 357 . 10 1 1 A 31 31 ARG C C 31 176.891 177.239 -0.348 1
1 358 . 10 1 1 A 31 31 ARG CA C 31 56.964 57.416 -0.452 1
1 359 . 10 1 1 A 31 31 ARG CB C 31 30.633 29.921 0.712 1
1 362 . 10 1 1 A 31 31 ARG N N 31 121.660 124.483 -2.823 1
1 364 . 10 1 1 A 32 32 SER H H 32 8.318 7.803 0.515 1
1 365 . 10 1 1 A 32 32 SER HA H 32 4.389 4.283 0.106 1
1 368 . 10 1 1 A 32 32 SER C C 32 174.251 173.781 0.470 1
1 369 . 10 1 1 A 32 32 SER CA C 32 58.238 60.991 -2.753 1
1 370 . 10 1 1 A 32 32 SER CB C 32 63.821 62.886 0.935 1
1 371 . 10 1 1 A 32 32 SER N N 32 116.432 114.611 1.821 1
1 372 . 10 1 1 A 33 33 ALA H H 33 8.353 7.600 0.753 1
1 373 . 10 1 1 A 33 33 ALA HA H 33 4.307 4.800 -0.493 1
1 377 . 10 1 1 A 33 33 ALA C C 33 177.290 175.920 1.370 1
1 378 . 10 1 1 A 33 33 ALA CA C 33 52.515 50.391 2.124 1
1 379 . 10 1 1 A 33 33 ALA CB C 33 19.358 22.645 -3.287 1
1 380 . 10 1 1 A 33 33 ALA N N 33 126.203 121.226 4.977 1
1 381 . 10 1 1 A 34 34 ALA H H 34 8.178 8.922 -0.744 1
1 382 . 10 1 1 A 34 34 ALA HA H 34 4.280 5.165 -0.885 1
1 386 . 10 1 1 A 34 34 ALA C C 34 177.519 175.619 1.900 1
1 387 . 10 1 1 A 34 34 ALA CA C 34 52.480 49.983 2.497 1
1 388 . 10 1 1 A 34 34 ALA CB C 34 19.250 22.405 -3.155 1
1 389 . 10 1 1 A 34 34 ALA N N 34 123.091 122.564 0.527 1
1 390 . 10 1 1 A 35 35 VAL H H 35 8.083 8.627 -0.544 1
1 391 . 10 1 1 A 35 35 VAL HA H 35 4.060 4.542 -0.482 1
1 399 . 10 1 1 A 35 35 VAL C C 35 176.050 175.300 0.750 1
1 400 . 10 1 1 A 35 35 VAL CA C 35 62.297 61.726 0.571 1
1 401 . 10 1 1 A 35 35 VAL CB C 35 32.695 31.438 1.257 1
1 404 . 10 1 1 A 35 35 VAL N N 35 120.060 118.261 1.799 1
1 405 . 10 1 1 A 36 36 ILE H H 36 8.264 8.042 0.222 1
1 406 . 10 1 1 A 36 36 ILE HA H 36 4.141 4.934 -0.793 1
1 416 . 10 1 1 A 36 36 ILE C C 36 175.848 174.509 1.339 1
1 417 . 10 1 1 A 36 36 ILE CA C 36 60.924 58.617 2.307 1
1 418 . 10 1 1 A 36 36 ILE CB C 36 38.614 41.621 -3.007 1
1 422 . 10 1 1 A 36 36 ILE N N 36 125.147 124.210 0.937 1
1 423 . 10 1 1 A 37 37 ASN H H 37 8.501 8.559 -0.058 1
1 424 . 10 1 1 A 37 37 ASN HA H 37 4.702 4.650 0.052 1
1 429 . 10 1 1 A 37 37 ASN C C 37 174.609 174.862 -0.253 1
1 430 . 10 1 1 A 37 37 ASN CA C 37 53.143 53.017 0.126 1
1 431 . 10 1 1 A 37 37 ASN CB C 37 38.957 39.352 -0.395 1
1 432 . 10 1 1 A 37 37 ASN N N 37 123.292 121.754 1.538 1
1 434 . 10 1 1 A 38 38 ASP H H 38 8.326 8.464 -0.138 1
1 435 . 10 1 1 A 38 38 ASP HA H 38 4.562 4.320 0.242 1
1 438 . 10 1 1 A 38 38 ASP C C 38 176.188 176.337 -0.149 1
1 439 . 10 1 1 A 38 38 ASP CA C 38 54.218 54.584 -0.366 1
1 440 . 10 1 1 A 38 38 ASP CB C 38 41.133 40.529 0.604 1
1 441 . 10 1 1 A 38 38 ASP N N 38 121.317 123.274 -1.957 1
1 442 . 10 1 1 A 39 39 LEU H H 39 8.188 8.527 -0.339 1
1 443 . 10 1 1 A 39 39 LEU HA H 39 4.242 4.101 0.141 1
1 453 . 10 1 1 A 39 39 LEU C C 39 177.515 177.236 0.279 1
1 454 . 10 1 1 A 39 39 LEU CA C 39 55.501 56.268 -0.767 1
1 455 . 10 1 1 A 39 39 LEU CB C 39 42.030 42.272 -0.242 1
1 459 . 10 1 1 A 39 39 LEU N N 39 122.367 126.040 -3.673 1
1 460 . 10 1 1 A 40 40 HIS H H 40 8.418 7.058 1.360 1
1 461 . 10 1 1 A 40 40 HIS HA H 40 4.636 4.744 -0.108 1
1 466 . 10 1 1 A 40 40 HIS C C 40 175.495 174.723 0.772 1
1 467 . 10 1 1 A 40 40 HIS CA C 40 55.920 54.995 0.925 1
1 468 . 10 1 1 A 40 40 HIS CB C 40 29.633 32.085 -2.452 1
1 471 . 10 1 1 A 40 40 HIS N N 40 118.989 115.020 3.969 1
1 474 . 10 1 1 A 41 41 GLY H H 41 8.258 8.502 -0.244 1
1 475 . 10 1 1 A 41 41 GLY HA2 H 41 3.969 4.065 -0.096 1
1 476 . 10 1 1 A 41 41 GLY HA3 H 41 3.952 4.107 -0.155 1
1 477 . 10 1 1 A 41 41 GLY C C 41 174.007 171.854 2.153 1
1 478 . 10 1 1 A 41 41 GLY CA C 41 45.363 45.853 -0.490 1
1 479 . 10 1 1 A 41 41 GLY N N 41 109.714 106.092 3.622 1
1 480 . 10 1 1 A 42 42 GLU H H 42 8.406 8.736 -0.330 1
1 481 . 10 1 1 A 42 42 GLU HA H 42 4.378 4.773 -0.395 1
1 486 . 10 1 1 A 42 42 GLU C C 42 176.668 176.959 -0.291 1
1 487 . 10 1 1 A 42 42 GLU CA C 42 56.278 55.574 0.704 1
1 488 . 10 1 1 A 42 42 GLU CB C 42 30.473 32.152 -1.679 1
1 490 . 10 1 1 A 42 42 GLU N N 42 120.561 121.437 -0.876 1
1 491 . 10 1 1 A 43 43 GLY H H 43 8.284 8.589 -0.305 1
1 492 . 10 1 1 A 43 43 GLY HA2 H 43 4.100 4.001 0.099 1
1 493 . 10 1 1 A 43 43 GLY HA3 H 43 4.099 4.002 0.097 1
1 494 . 10 1 1 A 43 43 GLY C C 43 171.027 174.069 -3.042 1
1 495 . 10 1 1 A 43 43 GLY CA C 43 44.399 44.743 -0.344 1
1 496 . 10 1 1 A 43 43 GLY N N 43 110.014 109.743 0.271 1
1 498 . 10 1 1 A 47 47 PRO C C 47 176.172 175.558 0.614 1
1 499 . 10 1 1 A 47 47 PRO CB C 47 32.134 29.442 2.692 1
1 500 . 10 1 1 A 48 48 VAL H H 48 8.585 8.342 0.243 1
1 501 . 10 1 1 A 48 48 VAL HA H 48 4.438 4.836 -0.398 1
1 508 . 10 1 1 A 48 48 VAL C C 48 174.309 173.874 0.435 1
1 509 . 10 1 1 A 48 48 VAL CA C 48 59.190 58.480 0.710 1
1 512 . 10 1 1 A 48 48 VAL N N 48 125.965 117.517 8.448 1
1 513 . 10 1 1 A 50 50 PRO HA H 50 4.353 4.279 0.074 1
1 520 . 10 1 1 A 50 50 PRO C C 50 176.824 177.552 -0.728 1
1 521 . 10 1 1 A 50 50 PRO CA C 50 63.194 64.909 -1.715 1
1 522 . 10 1 1 A 50 50 PRO CB C 50 32.006 31.731 0.275 1
1 525 . 10 1 1 A 51 51 ALA H H 51 8.301 7.986 0.315 1
1 526 . 10 1 1 A 51 51 ALA HA H 51 4.241 4.462 -0.221 1
1 530 . 10 1 1 A 51 51 ALA C C 51 177.617 177.033 0.584 1
1 531 . 10 1 1 A 51 51 ALA CA C 51 52.717 52.068 0.649 1
1 532 . 10 1 1 A 51 51 ALA CB C 51 19.211 18.850 0.361 1
1 533 . 10 1 1 A 51 51 ALA N N 51 122.996 118.156 4.840 1
1 534 . 10 1 1 A 52 52 GLN H H 52 8.165 7.444 0.721 1
1 535 . 10 1 1 A 52 52 GLN HA H 52 4.266 4.361 -0.095 1
1 542 . 10 1 1 A 52 52 GLN C C 52 175.394 175.380 0.014 1
1 543 . 10 1 1 A 52 52 GLN CA C 52 55.582 55.988 -0.406 1
1 544 . 10 1 1 A 52 52 GLN CB C 52 29.636 28.979 0.657 1
1 546 . 10 1 1 A 52 52 GLN N N 52 118.178 117.530 0.648 1
1 548 . 10 1 1 A 53 53 HIS H H 53 8.395 8.663 -0.268 1
1 549 . 10 1 1 A 53 53 HIS HA H 53 4.872 5.022 -0.150 1
1 554 . 10 1 1 A 53 53 HIS C C 53 173.260 174.461 -1.201 1
1 555 . 10 1 1 A 53 53 HIS CA C 53 54.036 53.736 0.300 1
1 556 . 10 1 1 A 53 53 HIS CB C 53 29.841 33.052 -3.211 1
1 559 . 10 1 1 A 53 53 HIS N N 53 121.522 118.335 3.187 1
1 562 . 10 1 1 A 54 54 PRO HA H 54 4.547 4.319 0.228 1
1 569 . 10 1 1 A 54 54 PRO C C 54 176.605 176.841 -0.236 1
1 570 . 10 1 1 A 54 54 PRO CA C 54 62.997 64.477 -1.480 1
1 571 . 10 1 1 A 54 54 PRO CB C 54 32.349 31.834 0.515 1
1 574 . 10 1 1 A 55 55 ASN H H 55 8.646 8.159 0.487 1
1 575 . 10 1 1 A 55 55 ASN HA H 55 4.969 4.433 0.536 1
1 580 . 10 1 1 A 55 55 ASN C C 55 171.312 176.093 -4.781 1
1 581 . 10 1 1 A 55 55 ASN CA C 55 50.412 53.621 -3.209 1
1 582 . 10 1 1 A 55 55 ASN CB C 55 39.150 37.033 2.117 1
1 583 . 10 1 1 A 55 55 ASN N N 55 119.583 114.079 5.504 1
1 585 . 10 1 1 A 56 56 PRO HA H 56 4.400 4.427 -0.027 1
1 592 . 10 1 1 A 56 56 PRO C C 56 176.686 176.449 0.237 1
1 593 . 10 1 1 A 56 56 PRO CA C 56 63.273 64.315 -1.042 1
1 594 . 10 1 1 A 56 56 PRO CB C 56 31.783 31.437 0.346 1
1 597 . 10 1 1 A 57 57 CYS H H 57 7.831 8.055 -0.224 1
1 598 . 10 1 1 A 57 57 CYS HA H 57 4.443 4.685 -0.242 1
1 601 . 10 1 1 A 57 57 CYS C C 57 173.881 172.157 1.724 1
1 602 . 10 1 1 A 57 57 CYS CA C 57 59.103 55.573 3.530 1
1 603 . 10 1 1 A 57 57 CYS CB C 57 32.909 42.356 -9.447 1
1 604 . 10 1 1 A 57 57 CYS N N 57 119.502 117.895 1.607 1
1 605 . 10 1 1 A 59 59 PRO HA H 59 4.385 4.287 0.098 1
1 612 . 10 1 1 A 59 59 PRO C C 59 177.996 177.404 0.592 1
1 613 . 10 1 1 A 59 59 PRO CA C 59 64.249 63.995 0.254 1
1 614 . 10 1 1 A 59 59 PRO CB C 59 31.776 31.451 0.325 1
1 617 . 10 1 1 A 60 60 GLY H H 60 8.761 8.893 -0.132 1
1 618 . 10 1 1 A 60 60 GLY HA2 H 60 4.302 3.868 0.434 1
1 619 . 10 1 1 A 60 60 GLY HA3 H 60 3.619 3.874 -0.255 1
1 620 . 10 1 1 A 60 60 GLY C C 60 173.861 173.463 0.398 1
1 621 . 10 1 1 A 60 60 GLY CA C 60 44.888 45.130 -0.242 1
1 622 . 10 1 1 A 60 60 GLY N N 60 112.485 112.850 -0.365 1
1 623 . 10 1 1 A 61 61 TYR H H 61 8.522 8.087 0.435 1
1 624 . 10 1 1 A 61 61 TYR HA H 61 5.083 4.888 0.195 1
1 631 . 10 1 1 A 61 61 TYR C C 61 174.910 175.603 -0.693 1
1 632 . 10 1 1 A 61 61 TYR CA C 61 56.152 57.227 -1.075 1
1 633 . 10 1 1 A 61 61 TYR CB C 61 42.124 41.395 0.729 1
1 638 . 10 1 1 A 61 61 TYR N N 61 118.801 120.078 -1.277 1
1 639 . 10 1 1 A 62 62 GLU H H 62 9.129 9.461 -0.332 1
1 640 . 10 1 1 A 62 62 GLU HA H 62 4.962 5.011 -0.049 1
1 645 . 10 1 1 A 62 62 GLU C C 62 173.115 173.851 -0.736 1
1 646 . 10 1 1 A 62 62 GLU CA C 62 53.654 53.536 0.118 1
1 647 . 10 1 1 A 62 62 GLU CB C 62 31.928 32.768 -0.840 1
1 649 . 10 1 1 A 62 62 GLU N N 62 118.016 120.546 -2.530 1
1 650 . 10 1 1 A 63 63 PRO HA H 63 4.743 4.523 0.220 1
1 657 . 10 1 1 A 63 63 PRO C C 63 177.040 175.421 1.619 1
1 658 . 10 1 1 A 63 63 PRO CA C 63 63.759 63.143 0.616 1
1 659 . 10 1 1 A 63 63 PRO CB C 63 32.352 32.027 0.325 1
1 662 . 10 1 1 A 64 64 ASP H H 64 8.595 8.446 0.149 1
1 663 . 10 1 1 A 64 64 ASP HA H 64 4.679 4.892 -0.213 1
1 666 . 10 1 1 A 64 64 ASP C C 64 175.960 174.343 1.617 1
1 667 . 10 1 1 A 64 64 ASP CA C 64 53.790 53.125 0.665 1
1 668 . 10 1 1 A 64 64 ASP CB C 64 42.611 41.307 1.304 1
1 669 . 10 1 1 A 64 64 ASP N N 64 122.807 122.150 0.657 1
1 670 . 10 1 1 A 65 65 ASP H H 65 8.437 8.815 -0.378 1
1 671 . 10 1 1 A 65 65 ASP HA H 65 4.701 4.972 -0.271 1
1 674 . 10 1 1 A 65 65 ASP C C 65 176.412 176.015 0.397 1
1 675 . 10 1 1 A 65 65 ASP CA C 65 54.043 53.969 0.074 1
1 676 . 10 1 1 A 65 65 ASP CB C 65 41.279 41.385 -0.106 1
1 677 . 10 1 1 A 65 65 ASP N N 65 124.473 126.899 -2.426 1
1 678 . 10 1 1 A 66 66 GLN H H 66 8.316 8.388 -0.072 1
1 679 . 10 1 1 A 66 66 GLN HA H 66 4.290 4.992 -0.702 1
1 686 . 10 1 1 A 66 66 GLN C C 66 175.877 174.783 1.094 1
1 687 . 10 1 1 A 66 66 GLN CA C 66 55.992 54.204 1.788 1
1 688 . 10 1 1 A 66 66 GLN CB C 66 29.565 31.849 -2.284 1
1 690 . 10 1 1 A 66 66 GLN N N 66 120.317 123.169 -2.852 1
1 692 . 10 1 1 A 67 67 ASP H H 67 8.438 8.762 -0.324 1
1 693 . 10 1 1 A 67 67 ASP HA H 67 4.619 4.728 -0.109 1
1 696 . 10 1 1 A 67 67 ASP C C 67 176.300 176.010 0.290 1
1 697 . 10 1 1 A 67 67 ASP CA C 67 54.535 53.937 0.598 1
1 698 . 10 1 1 A 67 67 ASP CB C 67 41.210 39.246 1.964 1
1 699 . 10 1 1 A 67 67 ASP N N 67 121.942 122.284 -0.342 1
1 700 . 10 1 1 A 68 68 SER H H 68 8.274 8.480 -0.206 1
1 701 . 10 1 1 A 68 68 SER HA H 68 4.476 4.572 -0.096 1
1 704 . 10 1 1 A 68 68 SER C C 68 174.516 174.102 0.414 1
1 705 . 10 1 1 A 68 68 SER CA C 68 58.615 57.694 0.921 1
1 706 . 10 1 1 A 68 68 SER CB C 68 63.911 62.004 1.907 1
1 707 . 10 1 1 A 68 68 SER N N 68 116.099 118.802 -2.703 1
1 708 . 10 1 1 A 69 69 CYS H H 69 8.589 8.468 0.121 1
1 709 . 10 1 1 A 69 69 CYS HA H 69 4.719 4.676 0.043 1
1 712 . 10 1 1 A 69 69 CYS C C 69 174.437 173.234 1.203 1
1 713 . 10 1 1 A 69 69 CYS CA C 69 55.620 56.804 -1.184 1
1 714 . 10 1 1 A 69 69 CYS CB C 69 40.727 42.907 -2.180 1
1 715 . 10 1 1 A 69 69 CYS N N 69 120.951 124.110 -3.159 1
1 716 . 10 1 1 A 70 70 VAL H H 70 8.150 7.609 0.541 1
1 717 . 10 1 1 A 70 70 VAL HA H 70 4.193 4.364 -0.171 1
1 725 . 10 1 1 A 70 70 VAL C C 70 174.771 174.606 0.165 1
1 726 . 10 1 1 A 70 70 VAL CA C 70 62.021 60.925 1.096 1
1 727 . 10 1 1 A 70 70 VAL CB C 70 33.168 33.871 -0.703 1
1 730 . 10 1 1 A 70 70 VAL N N 70 120.979 121.217 -0.238 1
1 2 . 11 1 1 A 2 2 ASP H H 2 8.270 8.566 -0.296 1
1 3 . 11 1 1 A 2 2 ASP HA H 2 4.706 4.659 0.047 1
1 6 . 11 1 1 A 2 2 ASP C C 2 176.240 176.554 -0.314 1
1 7 . 11 1 1 A 2 2 ASP CA C 2 54.448 56.787 -2.339 1
1 8 . 11 1 1 A 2 2 ASP CB C 2 41.396 41.252 0.144 1
1 9 . 11 1 1 A 2 2 ASP N N 2 116.604 122.798 -6.194 1
1 10 . 11 1 1 A 3 3 VAL H H 3 8.197 7.576 0.621 1
1 11 . 11 1 1 A 3 3 VAL HA H 3 4.090 4.817 -0.727 1
1 19 . 11 1 1 A 3 3 VAL C C 3 175.880 174.012 1.868 1
1 20 . 11 1 1 A 3 3 VAL CA C 3 62.509 58.781 3.728 1
1 21 . 11 1 1 A 3 3 VAL CB C 3 32.701 35.499 -2.798 1
1 24 . 11 1 1 A 3 3 VAL N N 3 119.871 113.054 6.817 1
1 25 . 11 1 1 A 4 4 ASN H H 4 8.502 8.656 -0.154 1
1 26 . 11 1 1 A 4 4 ASN HA H 4 4.700 4.857 -0.157 1
1 31 . 11 1 1 A 4 4 ASN C C 4 175.378 175.739 -0.361 1
1 32 . 11 1 1 A 4 4 ASN CA C 4 53.427 52.300 1.127 1
1 33 . 11 1 1 A 4 4 ASN CB C 4 39.212 38.441 0.771 1
1 34 . 11 1 1 A 4 4 ASN N N 4 121.932 122.864 -0.932 1
1 36 . 11 1 1 A 5 5 GLU H H 5 8.453 8.782 -0.329 1
1 37 . 11 1 1 A 5 5 GLU HA H 5 4.281 4.368 -0.087 1
1 42 . 11 1 1 A 5 5 GLU C C 5 176.502 175.513 0.989 1
1 43 . 11 1 1 A 5 5 GLU CA C 5 56.925 56.166 0.759 1
1 44 . 11 1 1 A 5 5 GLU CB C 5 30.226 28.766 1.460 1
1 46 . 11 1 1 A 5 5 GLU N N 5 122.108 124.607 -2.499 1
1 47 . 11 1 1 A 6 6 CYS H H 6 8.519 8.249 0.270 1
1 48 . 11 1 1 A 6 6 CYS HA H 6 4.605 4.277 0.328 1
1 51 . 11 1 1 A 6 6 CYS C C 6 174.876 174.064 0.812 1
1 52 . 11 1 1 A 6 6 CYS CA C 6 56.068 58.470 -2.402 1
1 53 . 11 1 1 A 6 6 CYS CB C 6 40.544 41.183 -0.639 1
1 54 . 11 1 1 A 6 6 CYS N N 6 119.657 114.490 5.167 1
1 55 . 11 1 1 A 7 7 LEU H H 7 8.372 7.749 0.623 1
1 56 . 11 1 1 A 7 7 LEU HA H 7 4.361 4.275 0.086 1
1 66 . 11 1 1 A 7 7 LEU C C 7 177.534 176.533 1.001 1
1 67 . 11 1 1 A 7 7 LEU CA C 7 55.778 54.502 1.276 1
1 68 . 11 1 1 A 7 7 LEU CB C 7 42.554 41.148 1.406 1
1 72 . 11 1 1 A 7 7 LEU N N 7 123.198 118.359 4.839 1
1 73 . 11 1 1 A 8 8 THR H H 8 8.018 7.905 0.113 1
1 74 . 11 1 1 A 8 8 THR HA H 8 4.332 4.232 0.100 1
1 79 . 11 1 1 A 8 8 THR C C 8 174.296 174.286 0.010 1
1 80 . 11 1 1 A 8 8 THR CA C 8 61.745 62.554 -0.809 1
1 81 . 11 1 1 A 8 8 THR CB C 8 69.529 69.160 0.369 1
1 83 . 11 1 1 A 8 8 THR N N 8 113.232 115.365 -2.133 1
1 84 . 11 1 1 A 9 9 ILE H H 9 7.827 8.576 -0.749 1
1 85 . 11 1 1 A 9 9 ILE HA H 9 4.472 4.310 0.162 1
1 95 . 11 1 1 A 9 9 ILE C C 9 174.443 174.916 -0.473 1
1 96 . 11 1 1 A 9 9 ILE CA C 9 58.355 59.528 -1.173 1
1 97 . 11 1 1 A 9 9 ILE CB C 9 38.496 38.410 0.086 1
1 101 . 11 1 1 A 9 9 ILE N N 9 123.285 129.540 -6.255 1
1 102 . 11 1 1 A 10 10 PRO HA H 10 4.351 4.592 -0.241 1
1 109 . 11 1 1 A 10 10 PRO C C 10 177.207 177.596 -0.389 1
1 110 . 11 1 1 A 10 10 PRO CA C 10 63.599 62.539 1.060 1
1 111 . 11 1 1 A 10 10 PRO CB C 10 31.965 30.041 1.924 1
1 114 . 11 1 1 A 11 11 GLU H H 11 8.555 8.604 -0.049 1
1 115 . 11 1 1 A 11 11 GLU HA H 11 4.053 3.917 0.136 1
1 120 . 11 1 1 A 11 11 GLU C C 11 176.353 177.130 -0.777 1
1 121 . 11 1 1 A 11 11 GLU CA C 11 56.955 59.225 -2.270 1
1 122 . 11 1 1 A 11 11 GLU CB C 11 29.589 30.123 -0.534 1
1 124 . 11 1 1 A 11 11 GLU N N 11 120.562 123.014 -2.452 1
1 125 . 11 1 1 A 12 12 ALA H H 12 8.089 7.314 0.775 1
1 126 . 11 1 1 A 12 12 ALA HA H 12 4.233 4.472 -0.239 1
1 130 . 11 1 1 A 12 12 ALA C C 12 178.135 176.559 1.576 1
1 131 . 11 1 1 A 12 12 ALA CA C 12 53.092 52.037 1.055 1
1 132 . 11 1 1 A 12 12 ALA CB C 12 19.570 20.836 -1.266 1
1 133 . 11 1 1 A 12 12 ALA N N 12 123.927 120.702 3.225 1
1 134 . 11 1 1 A 13 13 CYS H H 13 8.725 8.726 -0.001 1
1 135 . 11 1 1 A 13 13 CYS HA H 13 4.816 5.220 -0.404 1
1 138 . 11 1 1 A 13 13 CYS C C 13 175.490 173.332 2.158 1
1 139 . 11 1 1 A 13 13 CYS CA C 13 52.752 54.758 -2.006 1
1 140 . 11 1 1 A 13 13 CYS CB C 13 36.168 43.413 -7.245 1
1 141 . 11 1 1 A 13 13 CYS N N 13 114.120 118.283 -4.163 1
1 142 . 11 1 1 A 14 14 LYS H H 14 8.246 8.696 -0.450 1
1 143 . 11 1 1 A 14 14 LYS HA H 14 4.027 3.920 0.107 1
1 152 . 11 1 1 A 14 14 LYS C C 14 177.863 177.567 0.296 1
1 153 . 11 1 1 A 14 14 LYS CA C 14 58.289 58.288 0.001 1
1 154 . 11 1 1 A 14 14 LYS CB C 14 31.489 32.034 -0.545 1
1 158 . 11 1 1 A 14 14 LYS N N 14 121.767 125.811 -4.044 1
1 159 . 11 1 1 A 15 15 GLY H H 15 8.979 8.773 0.206 1
1 160 . 11 1 1 A 15 15 GLY HA2 H 15 4.161 3.916 0.245 1
1 161 . 11 1 1 A 15 15 GLY HA3 H 15 3.765 3.918 -0.153 1
1 162 . 11 1 1 A 15 15 GLY C C 15 173.903 173.548 0.355 1
1 163 . 11 1 1 A 15 15 GLY CA C 15 45.603 45.570 0.033 1
1 164 . 11 1 1 A 15 15 GLY N N 15 113.508 114.437 -0.929 1
1 165 . 11 1 1 A 16 16 GLU H H 16 8.027 7.926 0.101 1
1 166 . 11 1 1 A 16 16 GLU HA H 16 4.555 4.893 -0.338 1
1 171 . 11 1 1 A 16 16 GLU C C 16 174.310 174.982 -0.672 1
1 172 . 11 1 1 A 16 16 GLU CA C 16 55.213 54.375 0.838 1
1 173 . 11 1 1 A 16 16 GLU CB C 16 31.839 33.532 -1.693 1
1 175 . 11 1 1 A 16 16 GLU N N 16 120.692 119.406 1.286 1
1 176 . 11 1 1 A 17 17 MET H H 17 8.943 8.756 0.187 1
1 177 . 11 1 1 A 17 17 MET HA H 17 4.584 5.018 -0.434 1
1 185 . 11 1 1 A 17 17 MET C C 17 173.801 175.505 -1.704 1
1 186 . 11 1 1 A 17 17 MET CA C 17 55.183 54.185 0.998 1
1 187 . 11 1 1 A 17 17 MET CB C 17 34.221 33.857 0.364 1
1 190 . 11 1 1 A 17 17 MET N N 17 120.713 120.239 0.474 1
1 191 . 11 1 1 A 18 18 LYS H H 18 8.789 8.651 0.138 1
1 192 . 11 1 1 A 18 18 LYS HA H 18 5.083 4.687 0.396 1
1 201 . 11 1 1 A 18 18 LYS C C 18 175.138 174.650 0.488 1
1 202 . 11 1 1 A 18 18 LYS CA C 18 55.726 54.914 0.812 1
1 203 . 11 1 1 A 18 18 LYS CB C 18 35.053 33.804 1.249 1
1 207 . 11 1 1 A 18 18 LYS N N 18 127.261 122.692 4.569 1
1 208 . 11 1 1 A 19 19 CYS H H 19 9.132 9.173 -0.041 1
1 209 . 11 1 1 A 19 19 CYS HA H 19 5.273 5.336 -0.063 1
1 212 . 11 1 1 A 19 19 CYS C C 19 174.193 173.101 1.092 1
1 213 . 11 1 1 A 19 19 CYS CA C 19 54.753 54.537 0.216 1
1 214 . 11 1 1 A 19 19 CYS CB C 19 43.915 43.645 0.270 1
1 215 . 11 1 1 A 19 19 CYS N N 19 126.193 125.149 1.044 1
1 216 . 11 1 1 A 20 20 ILE H H 20 10.001 8.741 1.260 1
1 217 . 11 1 1 A 20 20 ILE HA H 20 5.483 5.854 -0.371 1
1 227 . 11 1 1 A 20 20 ILE C C 20 176.355 174.685 1.670 1
1 228 . 11 1 1 A 20 20 ILE CA C 20 59.977 59.094 0.883 1
1 229 . 11 1 1 A 20 20 ILE CB C 20 42.458 42.452 0.006 1
1 233 . 11 1 1 A 20 20 ILE N N 20 119.415 119.689 -0.274 1
1 234 . 11 1 1 A 21 21 ASN H H 21 8.092 8.180 -0.088 1
1 235 . 11 1 1 A 21 21 ASN HA H 21 4.906 5.146 -0.240 1
1 240 . 11 1 1 A 21 21 ASN CA C 21 50.729 51.188 -0.459 1
1 241 . 11 1 1 A 21 21 ASN CB C 21 38.492 40.972 -2.480 1
1 245 . 11 1 1 A 22 22 HIS C C 22 174.724 177.428 -2.704 1
1 250 . 11 1 1 A 23 23 TYR H H 23 7.932 8.155 -0.223 1
1 251 . 11 1 1 A 23 23 TYR HA H 23 4.785 4.222 0.563 1
1 258 . 11 1 1 A 23 23 TYR C C 23 176.186 175.823 0.363 1
1 259 . 11 1 1 A 23 23 TYR CA C 23 56.891 61.266 -4.375 1
1 260 . 11 1 1 A 23 23 TYR CB C 23 38.509 39.068 -0.559 1
1 265 . 11 1 1 A 23 23 TYR N N 23 117.160 119.791 -2.631 1
1 266 . 11 1 1 A 24 24 GLY HA2 H 24 4.411 3.978 0.433 1
1 267 . 11 1 1 A 24 24 GLY HA3 H 24 3.674 4.073 -0.399 1
1 268 . 11 1 1 A 24 24 GLY C C 24 174.895 174.974 -0.079 1
1 269 . 11 1 1 A 24 24 GLY CA C 24 45.377 45.047 0.330 1
1 270 . 11 1 1 A 25 25 GLY H H 25 8.418 8.453 -0.035 1
1 271 . 11 1 1 A 25 25 GLY HA2 H 25 4.461 4.143 0.318 1
1 272 . 11 1 1 A 25 25 GLY HA3 H 25 3.737 4.288 -0.551 1
1 273 . 11 1 1 A 25 25 GLY C C 25 172.832 171.877 0.955 1
1 274 . 11 1 1 A 25 25 GLY CA C 25 44.602 45.921 -1.319 1
1 275 . 11 1 1 A 25 25 GLY N N 25 110.337 109.040 1.297 1
1 276 . 11 1 1 A 26 26 TYR H H 26 8.256 9.042 -0.786 1
1 277 . 11 1 1 A 26 26 TYR HA H 26 6.053 5.338 0.715 1
1 284 . 11 1 1 A 26 26 TYR C C 26 173.625 173.705 -0.080 1
1 285 . 11 1 1 A 26 26 TYR CA C 26 55.921 56.352 -0.431 1
1 286 . 11 1 1 A 26 26 TYR CB C 26 42.690 42.114 0.576 1
1 291 . 11 1 1 A 26 26 TYR N N 26 116.601 124.063 -7.462 1
1 292 . 11 1 1 A 27 27 LEU H H 27 9.227 8.493 0.734 1
1 293 . 11 1 1 A 27 27 LEU HA H 27 4.437 4.517 -0.080 1
1 303 . 11 1 1 A 27 27 LEU C C 27 175.019 174.987 0.032 1
1 304 . 11 1 1 A 27 27 LEU CA C 27 53.999 53.031 0.968 1
1 305 . 11 1 1 A 27 27 LEU CB C 27 46.334 45.780 0.554 1
1 309 . 11 1 1 A 27 27 LEU N N 27 121.005 126.475 -5.470 1
1 310 . 11 1 1 A 28 28 CYS H H 28 8.801 8.616 0.185 1
1 311 . 11 1 1 A 28 28 CYS HA H 28 5.730 5.603 0.127 1
1 314 . 11 1 1 A 28 28 CYS C C 28 174.452 172.430 2.022 1
1 315 . 11 1 1 A 28 28 CYS CA C 28 51.978 54.197 -2.219 1
1 316 . 11 1 1 A 28 28 CYS CB C 28 37.734 44.365 -6.631 1
1 317 . 11 1 1 A 28 28 CYS N N 28 120.613 120.071 0.542 1
1 318 . 11 1 1 A 29 29 LEU H H 29 9.371 8.943 0.428 1
1 319 . 11 1 1 A 29 29 LEU HA H 29 4.891 4.717 0.174 1
1 329 . 11 1 1 A 29 29 LEU C C 29 173.339 174.470 -1.131 1
1 330 . 11 1 1 A 29 29 LEU CA C 29 51.743 51.513 0.230 1
1 331 . 11 1 1 A 29 29 LEU CB C 29 44.633 44.402 0.231 1
1 335 . 11 1 1 A 29 29 LEU N N 29 127.550 126.633 0.917 1
1 336 . 11 1 1 A 30 30 PRO HA H 30 4.478 4.583 -0.105 1
1 343 . 11 1 1 A 30 30 PRO C C 30 177.206 177.024 0.182 1
1 344 . 11 1 1 A 30 30 PRO CA C 30 62.730 62.722 0.008 1
1 345 . 11 1 1 A 30 30 PRO CB C 30 31.984 32.844 -0.860 1
1 348 . 11 1 1 A 31 31 ARG H H 31 8.856 8.925 -0.069 1
1 349 . 11 1 1 A 31 31 ARG HA H 31 4.189 4.252 -0.063 1
1 357 . 11 1 1 A 31 31 ARG C C 31 176.891 178.091 -1.200 1
1 358 . 11 1 1 A 31 31 ARG CA C 31 56.964 57.138 -0.174 1
1 359 . 11 1 1 A 31 31 ARG CB C 31 30.633 30.047 0.586 1
1 362 . 11 1 1 A 31 31 ARG N N 31 121.660 123.959 -2.299 1
1 364 . 11 1 1 A 32 32 SER H H 32 8.318 8.008 0.310 1
1 365 . 11 1 1 A 32 32 SER HA H 32 4.389 4.257 0.132 1
1 368 . 11 1 1 A 32 32 SER C C 32 174.251 174.371 -0.120 1
1 369 . 11 1 1 A 32 32 SER CA C 32 58.238 61.532 -3.294 1
1 370 . 11 1 1 A 32 32 SER CB C 32 63.821 62.707 1.114 1
1 371 . 11 1 1 A 32 32 SER N N 32 116.432 113.749 2.683 1
1 372 . 11 1 1 A 33 33 ALA H H 33 8.353 7.627 0.726 1
1 373 . 11 1 1 A 33 33 ALA HA H 33 4.307 4.639 -0.332 1
1 377 . 11 1 1 A 33 33 ALA C C 33 177.290 176.290 1.000 1
1 378 . 11 1 1 A 33 33 ALA CA C 33 52.515 50.599 1.916 1
1 379 . 11 1 1 A 33 33 ALA CB C 33 19.358 20.024 -0.666 1
1 380 . 11 1 1 A 33 33 ALA N N 33 126.203 122.944 3.259 1
1 381 . 11 1 1 A 34 34 ALA H H 34 8.178 8.815 -0.637 1
1 382 . 11 1 1 A 34 34 ALA HA H 34 4.280 4.728 -0.448 1
1 386 . 11 1 1 A 34 34 ALA C C 34 177.519 179.157 -1.638 1
1 387 . 11 1 1 A 34 34 ALA CA C 34 52.480 51.473 1.007 1
1 388 . 11 1 1 A 34 34 ALA CB C 34 19.250 20.142 -0.892 1
1 389 . 11 1 1 A 34 34 ALA N N 34 123.091 126.700 -3.609 1
1 390 . 11 1 1 A 35 35 VAL H H 35 8.083 8.616 -0.533 1
1 391 . 11 1 1 A 35 35 VAL HA H 35 4.060 4.311 -0.251 1
1 399 . 11 1 1 A 35 35 VAL C C 35 176.050 176.076 -0.026 1
1 400 . 11 1 1 A 35 35 VAL CA C 35 62.297 61.479 0.818 1
1 401 . 11 1 1 A 35 35 VAL CB C 35 32.695 31.942 0.753 1
1 404 . 11 1 1 A 35 35 VAL N N 35 120.060 118.665 1.395 1
1 405 . 11 1 1 A 36 36 ILE H H 36 8.264 7.458 0.806 1
1 406 . 11 1 1 A 36 36 ILE HA H 36 4.141 4.201 -0.060 1
1 416 . 11 1 1 A 36 36 ILE C C 36 175.848 175.599 0.249 1
1 417 . 11 1 1 A 36 36 ILE CA C 36 60.924 60.232 0.692 1
1 418 . 11 1 1 A 36 36 ILE CB C 36 38.614 39.745 -1.131 1
1 422 . 11 1 1 A 36 36 ILE N N 36 125.147 119.695 5.452 1
1 423 . 11 1 1 A 37 37 ASN H H 37 8.501 8.548 -0.047 1
1 424 . 11 1 1 A 37 37 ASN HA H 37 4.702 4.692 0.010 1
1 429 . 11 1 1 A 37 37 ASN C C 37 174.609 174.211 0.398 1
1 430 . 11 1 1 A 37 37 ASN CA C 37 53.143 52.817 0.326 1
1 431 . 11 1 1 A 37 37 ASN CB C 37 38.957 37.553 1.404 1
1 432 . 11 1 1 A 37 37 ASN N N 37 123.292 119.919 3.373 1
1 434 . 11 1 1 A 38 38 ASP H H 38 8.326 7.998 0.328 1
1 435 . 11 1 1 A 38 38 ASP HA H 38 4.562 5.074 -0.512 1
1 438 . 11 1 1 A 38 38 ASP C C 38 176.188 174.398 1.790 1
1 439 . 11 1 1 A 38 38 ASP CA C 38 54.218 53.804 0.414 1
1 440 . 11 1 1 A 38 38 ASP CB C 38 41.133 44.817 -3.684 1
1 441 . 11 1 1 A 38 38 ASP N N 38 121.317 124.348 -3.031 1
1 442 . 11 1 1 A 39 39 LEU H H 39 8.188 8.494 -0.306 1
1 443 . 11 1 1 A 39 39 LEU HA H 39 4.242 5.129 -0.887 1
1 453 . 11 1 1 A 39 39 LEU C C 39 177.515 175.317 2.198 1
1 454 . 11 1 1 A 39 39 LEU CA C 39 55.501 53.548 1.953 1
1 455 . 11 1 1 A 39 39 LEU CB C 39 42.030 46.154 -4.124 1
1 459 . 11 1 1 A 39 39 LEU N N 39 122.367 120.802 1.565 1
1 460 . 11 1 1 A 40 40 HIS H H 40 8.418 8.854 -0.436 1
1 461 . 11 1 1 A 40 40 HIS HA H 40 4.636 4.722 -0.086 1
1 466 . 11 1 1 A 40 40 HIS C C 40 175.495 176.279 -0.784 1
1 467 . 11 1 1 A 40 40 HIS CA C 40 55.920 57.454 -1.534 1
1 468 . 11 1 1 A 40 40 HIS CB C 40 29.633 31.096 -1.463 1
1 471 . 11 1 1 A 40 40 HIS N N 40 118.989 116.800 2.189 1
1 474 . 11 1 1 A 41 41 GLY H H 41 8.258 8.285 -0.027 1
1 475 . 11 1 1 A 41 41 GLY HA2 H 41 3.969 3.832 0.137 1
1 476 . 11 1 1 A 41 41 GLY HA3 H 41 3.952 3.838 0.114 1
1 477 . 11 1 1 A 41 41 GLY C C 41 174.007 173.406 0.601 1
1 478 . 11 1 1 A 41 41 GLY CA C 41 45.363 47.544 -2.181 1
1 479 . 11 1 1 A 41 41 GLY N N 41 109.714 106.984 2.730 1
1 480 . 11 1 1 A 42 42 GLU H H 42 8.406 7.659 0.747 1
1 481 . 11 1 1 A 42 42 GLU HA H 42 4.378 4.723 -0.345 1
1 486 . 11 1 1 A 42 42 GLU C C 42 176.668 176.512 0.156 1
1 487 . 11 1 1 A 42 42 GLU CA C 42 56.278 55.365 0.913 1
1 488 . 11 1 1 A 42 42 GLU CB C 42 30.473 31.791 -1.318 1
1 490 . 11 1 1 A 42 42 GLU N N 42 120.561 121.470 -0.909 1
1 491 . 11 1 1 A 43 43 GLY H H 43 8.284 8.949 -0.665 1
1 492 . 11 1 1 A 43 43 GLY HA2 H 43 4.100 3.842 0.258 1
1 493 . 11 1 1 A 43 43 GLY HA3 H 43 4.099 3.846 0.253 1
1 494 . 11 1 1 A 43 43 GLY C C 43 171.027 174.123 -3.096 1
1 495 . 11 1 1 A 43 43 GLY CA C 43 44.399 46.791 -2.392 1
1 496 . 11 1 1 A 43 43 GLY N N 43 110.014 111.018 -1.004 1
1 498 . 11 1 1 A 47 47 PRO C C 47 176.172 176.622 -0.450 1
1 499 . 11 1 1 A 47 47 PRO CB C 47 32.134 31.778 0.356 1
1 500 . 11 1 1 A 48 48 VAL H H 48 8.585 7.926 0.659 1
1 501 . 11 1 1 A 48 48 VAL HA H 48 4.438 4.433 0.005 1
1 508 . 11 1 1 A 48 48 VAL C C 48 174.309 174.565 -0.256 1
1 509 . 11 1 1 A 48 48 VAL CA C 48 59.190 59.539 -0.349 1
1 512 . 11 1 1 A 48 48 VAL N N 48 125.965 117.171 8.794 1
1 513 . 11 1 1 A 50 50 PRO HA H 50 4.353 4.554 -0.201 1
1 520 . 11 1 1 A 50 50 PRO C C 50 176.824 175.889 0.935 1
1 521 . 11 1 1 A 50 50 PRO CA C 50 63.194 64.137 -0.943 1
1 522 . 11 1 1 A 50 50 PRO CB C 50 32.006 32.149 -0.143 1
1 525 . 11 1 1 A 51 51 ALA H H 51 8.301 8.208 0.093 1
1 526 . 11 1 1 A 51 51 ALA HA H 51 4.241 4.562 -0.321 1
1 530 . 11 1 1 A 51 51 ALA C C 51 177.617 177.573 0.044 1
1 531 . 11 1 1 A 51 51 ALA CA C 51 52.717 51.035 1.682 1
1 532 . 11 1 1 A 51 51 ALA CB C 51 19.211 19.643 -0.432 1
1 533 . 11 1 1 A 51 51 ALA N N 51 122.996 122.969 0.027 1
1 534 . 11 1 1 A 52 52 GLN H H 52 8.165 8.662 -0.497 1
1 535 . 11 1 1 A 52 52 GLN HA H 52 4.266 4.583 -0.317 1
1 542 . 11 1 1 A 52 52 GLN C C 52 175.394 175.837 -0.443 1
1 543 . 11 1 1 A 52 52 GLN CA C 52 55.582 55.395 0.187 1
1 544 . 11 1 1 A 52 52 GLN CB C 52 29.636 29.508 0.128 1
1 546 . 11 1 1 A 52 52 GLN N N 52 118.178 122.145 -3.967 1
1 548 . 11 1 1 A 53 53 HIS H H 53 8.395 7.674 0.721 1
1 549 . 11 1 1 A 53 53 HIS HA H 53 4.872 4.783 0.089 1
1 554 . 11 1 1 A 53 53 HIS C C 53 173.260 175.241 -1.981 1
1 555 . 11 1 1 A 53 53 HIS CA C 53 54.036 54.529 -0.493 1
1 556 . 11 1 1 A 53 53 HIS CB C 53 29.841 30.743 -0.902 1
1 559 . 11 1 1 A 53 53 HIS N N 53 121.522 118.938 2.584 1
1 562 . 11 1 1 A 54 54 PRO HA H 54 4.547 4.642 -0.095 1
1 569 . 11 1 1 A 54 54 PRO C C 54 176.605 176.892 -0.287 1
1 570 . 11 1 1 A 54 54 PRO CA C 54 62.997 64.913 -1.916 1
1 571 . 11 1 1 A 54 54 PRO CB C 54 32.349 31.879 0.470 1
1 574 . 11 1 1 A 55 55 ASN H H 55 8.646 8.173 0.473 1
1 575 . 11 1 1 A 55 55 ASN HA H 55 4.969 4.418 0.551 1
1 580 . 11 1 1 A 55 55 ASN C C 55 171.312 175.908 -4.596 1
1 581 . 11 1 1 A 55 55 ASN CA C 55 50.412 53.660 -3.248 1
1 582 . 11 1 1 A 55 55 ASN CB C 55 39.150 36.975 2.175 1
1 583 . 11 1 1 A 55 55 ASN N N 55 119.583 114.084 5.499 1
1 585 . 11 1 1 A 56 56 PRO HA H 56 4.400 4.409 -0.009 1
1 592 . 11 1 1 A 56 56 PRO C C 56 176.686 176.432 0.254 1
1 593 . 11 1 1 A 56 56 PRO CA C 56 63.273 64.416 -1.143 1
1 594 . 11 1 1 A 56 56 PRO CB C 56 31.783 31.461 0.322 1
1 597 . 11 1 1 A 57 57 CYS H H 57 7.831 8.188 -0.357 1
1 598 . 11 1 1 A 57 57 CYS HA H 57 4.443 4.645 -0.202 1
1 601 . 11 1 1 A 57 57 CYS C C 57 173.881 172.296 1.585 1
1 602 . 11 1 1 A 57 57 CYS CA C 57 59.103 55.059 4.044 1
1 603 . 11 1 1 A 57 57 CYS CB C 57 32.909 43.214 -10.305 1
1 604 . 11 1 1 A 57 57 CYS N N 57 119.502 117.853 1.649 1
1 605 . 11 1 1 A 59 59 PRO HA H 59 4.385 4.271 0.114 1
1 612 . 11 1 1 A 59 59 PRO C C 59 177.996 177.200 0.796 1
1 613 . 11 1 1 A 59 59 PRO CA C 59 64.249 63.904 0.345 1
1 614 . 11 1 1 A 59 59 PRO CB C 59 31.776 31.568 0.208 1
1 617 . 11 1 1 A 60 60 GLY H H 60 8.761 8.819 -0.058 1
1 618 . 11 1 1 A 60 60 GLY HA2 H 60 4.302 3.784 0.518 1
1 619 . 11 1 1 A 60 60 GLY HA3 H 60 3.619 3.789 -0.170 1
1 620 . 11 1 1 A 60 60 GLY C C 60 173.861 172.759 1.102 1
1 621 . 11 1 1 A 60 60 GLY CA C 60 44.888 45.087 -0.199 1
1 622 . 11 1 1 A 60 60 GLY N N 60 112.485 112.356 0.129 1
1 623 . 11 1 1 A 61 61 TYR H H 61 8.522 7.772 0.750 1
1 624 . 11 1 1 A 61 61 TYR HA H 61 5.083 5.199 -0.116 1
1 631 . 11 1 1 A 61 61 TYR C C 61 174.910 174.952 -0.042 1
1 632 . 11 1 1 A 61 61 TYR CA C 61 56.152 56.600 -0.448 1
1 633 . 11 1 1 A 61 61 TYR CB C 61 42.124 43.025 -0.901 1
1 638 . 11 1 1 A 61 61 TYR N N 61 118.801 119.106 -0.305 1
1 639 . 11 1 1 A 62 62 GLU H H 62 9.129 9.171 -0.042 1
1 640 . 11 1 1 A 62 62 GLU HA H 62 4.962 4.989 -0.027 1
1 645 . 11 1 1 A 62 62 GLU C C 62 173.115 173.850 -0.735 1
1 646 . 11 1 1 A 62 62 GLU CA C 62 53.654 53.718 -0.064 1
1 647 . 11 1 1 A 62 62 GLU CB C 62 31.928 32.732 -0.804 1
1 649 . 11 1 1 A 62 62 GLU N N 62 118.016 119.544 -1.528 1
1 650 . 11 1 1 A 63 63 PRO HA H 63 4.743 4.599 0.144 1
1 657 . 11 1 1 A 63 63 PRO C C 63 177.040 175.374 1.666 1
1 658 . 11 1 1 A 63 63 PRO CA C 63 63.759 62.862 0.897 1
1 659 . 11 1 1 A 63 63 PRO CB C 63 32.352 31.581 0.771 1
1 662 . 11 1 1 A 64 64 ASP H H 64 8.595 8.280 0.315 1
1 663 . 11 1 1 A 64 64 ASP HA H 64 4.679 4.920 -0.241 1
1 666 . 11 1 1 A 64 64 ASP C C 64 175.960 174.263 1.697 1
1 667 . 11 1 1 A 64 64 ASP CA C 64 53.790 53.044 0.746 1
1 668 . 11 1 1 A 64 64 ASP CB C 64 42.611 43.258 -0.647 1
1 669 . 11 1 1 A 64 64 ASP N N 64 122.807 122.565 0.242 1
1 670 . 11 1 1 A 65 65 ASP H H 65 8.437 8.834 -0.397 1
1 671 . 11 1 1 A 65 65 ASP HA H 65 4.701 5.189 -0.488 1
1 674 . 11 1 1 A 65 65 ASP C C 65 176.412 174.363 2.049 1
1 675 . 11 1 1 A 65 65 ASP CA C 65 54.043 53.343 0.700 1
1 676 . 11 1 1 A 65 65 ASP CB C 65 41.279 41.699 -0.420 1
1 677 . 11 1 1 A 65 65 ASP N N 65 124.473 125.441 -0.968 1
1 678 . 11 1 1 A 66 66 GLN H H 66 8.316 8.389 -0.073 1
1 679 . 11 1 1 A 66 66 GLN HA H 66 4.290 5.073 -0.783 1
1 686 . 11 1 1 A 66 66 GLN C C 66 175.877 175.224 0.653 1
1 687 . 11 1 1 A 66 66 GLN CA C 66 55.992 54.383 1.609 1
1 688 . 11 1 1 A 66 66 GLN CB C 66 29.565 30.793 -1.228 1
1 690 . 11 1 1 A 66 66 GLN N N 66 120.317 124.049 -3.732 1
1 692 . 11 1 1 A 67 67 ASP H H 67 8.438 8.633 -0.195 1
1 693 . 11 1 1 A 67 67 ASP HA H 67 4.619 4.723 -0.104 1
1 696 . 11 1 1 A 67 67 ASP C C 67 176.300 177.212 -0.912 1
1 697 . 11 1 1 A 67 67 ASP CA C 67 54.535 55.861 -1.326 1
1 698 . 11 1 1 A 67 67 ASP CB C 67 41.210 42.235 -1.025 1
1 699 . 11 1 1 A 67 67 ASP N N 67 121.942 123.515 -1.573 1
1 700 . 11 1 1 A 68 68 SER H H 68 8.274 7.980 0.294 1
1 701 . 11 1 1 A 68 68 SER HA H 68 4.476 4.516 -0.040 1
1 704 . 11 1 1 A 68 68 SER C C 68 174.516 173.546 0.970 1
1 705 . 11 1 1 A 68 68 SER CA C 68 58.615 60.242 -1.627 1
1 706 . 11 1 1 A 68 68 SER CB C 68 63.911 64.428 -0.517 1
1 707 . 11 1 1 A 68 68 SER N N 68 116.099 110.297 5.802 1
1 708 . 11 1 1 A 69 69 CYS H H 69 8.589 7.851 0.738 1
1 709 . 11 1 1 A 69 69 CYS HA H 69 4.719 5.056 -0.337 1
1 712 . 11 1 1 A 69 69 CYS C C 69 174.437 172.783 1.654 1
1 713 . 11 1 1 A 69 69 CYS CA C 69 55.620 55.101 0.519 1
1 714 . 11 1 1 A 69 69 CYS CB C 69 40.727 46.891 -6.164 1
1 715 . 11 1 1 A 69 69 CYS N N 69 120.951 115.670 5.281 1
1 716 . 11 1 1 A 70 70 VAL H H 70 8.150 8.518 -0.368 1
1 717 . 11 1 1 A 70 70 VAL HA H 70 4.193 4.606 -0.413 1
1 725 . 11 1 1 A 70 70 VAL C C 70 174.771 173.855 0.916 1
1 726 . 11 1 1 A 70 70 VAL CA C 70 62.021 60.779 1.242 1
1 727 . 11 1 1 A 70 70 VAL CB C 70 33.168 33.096 0.072 1
1 730 . 11 1 1 A 70 70 VAL N N 70 120.979 117.822 3.157 1
1 2 . 12 1 1 A 2 2 ASP H H 2 8.270 8.736 -0.466 1
1 3 . 12 1 1 A 2 2 ASP HA H 2 4.706 4.977 -0.271 1
1 6 . 12 1 1 A 2 2 ASP C C 2 176.240 175.275 0.965 1
1 7 . 12 1 1 A 2 2 ASP CA C 2 54.448 53.426 1.022 1
1 8 . 12 1 1 A 2 2 ASP CB C 2 41.396 42.478 -1.082 1
1 9 . 12 1 1 A 2 2 ASP N N 2 116.604 126.483 -9.879 1
1 10 . 12 1 1 A 3 3 VAL H H 3 8.197 8.699 -0.502 1
1 11 . 12 1 1 A 3 3 VAL HA H 3 4.090 4.889 -0.799 1
1 19 . 12 1 1 A 3 3 VAL C C 3 175.880 174.025 1.855 1
1 20 . 12 1 1 A 3 3 VAL CA C 3 62.509 60.360 2.149 1
1 21 . 12 1 1 A 3 3 VAL CB C 3 32.701 34.266 -1.565 1
1 24 . 12 1 1 A 3 3 VAL N N 3 119.871 121.425 -1.554 1
1 25 . 12 1 1 A 4 4 ASN H H 4 8.502 8.869 -0.367 1
1 26 . 12 1 1 A 4 4 ASN HA H 4 4.700 5.143 -0.443 1
1 31 . 12 1 1 A 4 4 ASN C C 4 175.378 174.819 0.559 1
1 32 . 12 1 1 A 4 4 ASN CA C 4 53.427 52.370 1.057 1
1 33 . 12 1 1 A 4 4 ASN CB C 4 39.212 39.603 -0.391 1
1 34 . 12 1 1 A 4 4 ASN N N 4 121.932 126.442 -4.510 1
1 36 . 12 1 1 A 5 5 GLU H H 5 8.453 8.747 -0.294 1
1 37 . 12 1 1 A 5 5 GLU HA H 5 4.281 4.324 -0.043 1
1 42 . 12 1 1 A 5 5 GLU C C 5 176.502 176.783 -0.281 1
1 43 . 12 1 1 A 5 5 GLU CA C 5 56.925 56.442 0.483 1
1 44 . 12 1 1 A 5 5 GLU CB C 5 30.226 30.194 0.032 1
1 46 . 12 1 1 A 5 5 GLU N N 5 122.108 123.184 -1.076 1
1 47 . 12 1 1 A 6 6 CYS H H 6 8.519 8.509 0.010 1
1 48 . 12 1 1 A 6 6 CYS HA H 6 4.605 4.688 -0.083 1
1 51 . 12 1 1 A 6 6 CYS C C 6 174.876 174.085 0.791 1
1 52 . 12 1 1 A 6 6 CYS CA C 6 56.068 56.119 -0.051 1
1 53 . 12 1 1 A 6 6 CYS CB C 6 40.544 41.600 -1.056 1
1 54 . 12 1 1 A 6 6 CYS N N 6 119.657 120.594 -0.937 1
1 55 . 12 1 1 A 7 7 LEU H H 7 8.372 7.820 0.552 1
1 56 . 12 1 1 A 7 7 LEU HA H 7 4.361 4.506 -0.145 1
1 66 . 12 1 1 A 7 7 LEU C C 7 177.534 176.469 1.065 1
1 67 . 12 1 1 A 7 7 LEU CA C 7 55.778 54.668 1.110 1
1 68 . 12 1 1 A 7 7 LEU CB C 7 42.554 41.232 1.322 1
1 72 . 12 1 1 A 7 7 LEU N N 7 123.198 121.108 2.090 1
1 73 . 12 1 1 A 8 8 THR H H 8 8.018 7.510 0.508 1
1 74 . 12 1 1 A 8 8 THR HA H 8 4.332 4.303 0.029 1
1 79 . 12 1 1 A 8 8 THR C C 8 174.296 174.910 -0.614 1
1 80 . 12 1 1 A 8 8 THR CA C 8 61.745 62.441 -0.696 1
1 81 . 12 1 1 A 8 8 THR CB C 8 69.529 69.856 -0.327 1
1 83 . 12 1 1 A 8 8 THR N N 8 113.232 115.844 -2.612 1
1 84 . 12 1 1 A 9 9 ILE H H 9 7.827 8.571 -0.744 1
1 85 . 12 1 1 A 9 9 ILE HA H 9 4.472 4.278 0.194 1
1 95 . 12 1 1 A 9 9 ILE C C 9 174.443 174.918 -0.475 1
1 96 . 12 1 1 A 9 9 ILE CA C 9 58.355 59.867 -1.512 1
1 97 . 12 1 1 A 9 9 ILE CB C 9 38.496 37.571 0.925 1
1 101 . 12 1 1 A 9 9 ILE N N 9 123.285 127.691 -4.406 1
1 102 . 12 1 1 A 10 10 PRO HA H 10 4.351 4.489 -0.138 1
1 109 . 12 1 1 A 10 10 PRO C C 10 177.207 177.433 -0.226 1
1 110 . 12 1 1 A 10 10 PRO CA C 10 63.599 62.613 0.986 1
1 111 . 12 1 1 A 10 10 PRO CB C 10 31.965 29.930 2.035 1
1 114 . 12 1 1 A 11 11 GLU H H 11 8.555 9.185 -0.630 1
1 115 . 12 1 1 A 11 11 GLU HA H 11 4.053 4.246 -0.193 1
1 120 . 12 1 1 A 11 11 GLU C C 11 176.353 175.947 0.406 1
1 121 . 12 1 1 A 11 11 GLU CA C 11 56.955 56.446 0.509 1
1 122 . 12 1 1 A 11 11 GLU CB C 11 29.589 30.185 -0.596 1
1 124 . 12 1 1 A 11 11 GLU N N 11 120.562 121.681 -1.119 1
1 125 . 12 1 1 A 12 12 ALA H H 12 8.089 7.643 0.446 1
1 126 . 12 1 1 A 12 12 ALA HA H 12 4.233 5.109 -0.876 1
1 130 . 12 1 1 A 12 12 ALA C C 12 178.135 175.780 2.355 1
1 131 . 12 1 1 A 12 12 ALA CA C 12 53.092 50.824 2.268 1
1 132 . 12 1 1 A 12 12 ALA CB C 12 19.570 23.452 -3.882 1
1 133 . 12 1 1 A 12 12 ALA N N 12 123.927 119.886 4.041 1
1 134 . 12 1 1 A 13 13 CYS H H 13 8.725 8.656 0.069 1
1 135 . 12 1 1 A 13 13 CYS HA H 13 4.816 5.238 -0.422 1
1 138 . 12 1 1 A 13 13 CYS C C 13 175.490 173.289 2.201 1
1 139 . 12 1 1 A 13 13 CYS CA C 13 52.752 54.601 -1.849 1
1 140 . 12 1 1 A 13 13 CYS CB C 13 36.168 43.427 -7.259 1
1 141 . 12 1 1 A 13 13 CYS N N 13 114.120 117.668 -3.548 1
1 142 . 12 1 1 A 14 14 LYS H H 14 8.246 8.676 -0.430 1
1 143 . 12 1 1 A 14 14 LYS HA H 14 4.027 4.064 -0.037 1
1 152 . 12 1 1 A 14 14 LYS C C 14 177.863 177.531 0.332 1
1 153 . 12 1 1 A 14 14 LYS CA C 14 58.289 58.014 0.275 1
1 154 . 12 1 1 A 14 14 LYS CB C 14 31.489 32.327 -0.838 1
1 158 . 12 1 1 A 14 14 LYS N N 14 121.767 126.442 -4.675 1
1 159 . 12 1 1 A 15 15 GLY H H 15 8.979 8.745 0.234 1
1 160 . 12 1 1 A 15 15 GLY HA2 H 15 4.161 3.950 0.211 1
1 161 . 12 1 1 A 15 15 GLY HA3 H 15 3.765 3.951 -0.186 1
1 162 . 12 1 1 A 15 15 GLY C C 15 173.903 173.575 0.328 1
1 163 . 12 1 1 A 15 15 GLY CA C 15 45.603 45.530 0.073 1
1 164 . 12 1 1 A 15 15 GLY N N 15 113.508 114.397 -0.889 1
1 165 . 12 1 1 A 16 16 GLU H H 16 8.027 7.563 0.464 1
1 166 . 12 1 1 A 16 16 GLU HA H 16 4.555 4.885 -0.330 1
1 171 . 12 1 1 A 16 16 GLU C C 16 174.310 175.082 -0.772 1
1 172 . 12 1 1 A 16 16 GLU CA C 16 55.213 54.432 0.781 1
1 173 . 12 1 1 A 16 16 GLU CB C 16 31.839 33.557 -1.718 1
1 175 . 12 1 1 A 16 16 GLU N N 16 120.692 119.432 1.260 1
1 176 . 12 1 1 A 17 17 MET H H 17 8.943 9.047 -0.104 1
1 177 . 12 1 1 A 17 17 MET HA H 17 4.584 5.007 -0.423 1
1 185 . 12 1 1 A 17 17 MET C C 17 173.801 175.296 -1.495 1
1 186 . 12 1 1 A 17 17 MET CA C 17 55.183 54.171 1.012 1
1 187 . 12 1 1 A 17 17 MET CB C 17 34.221 33.298 0.923 1
1 190 . 12 1 1 A 17 17 MET N N 17 120.713 120.249 0.464 1
1 191 . 12 1 1 A 18 18 LYS H H 18 8.789 8.568 0.221 1
1 192 . 12 1 1 A 18 18 LYS HA H 18 5.083 4.710 0.373 1
1 201 . 12 1 1 A 18 18 LYS C C 18 175.138 174.754 0.384 1
1 202 . 12 1 1 A 18 18 LYS CA C 18 55.726 55.251 0.475 1
1 203 . 12 1 1 A 18 18 LYS CB C 18 35.053 33.347 1.706 1
1 207 . 12 1 1 A 18 18 LYS N N 18 127.261 123.101 4.160 1
1 208 . 12 1 1 A 19 19 CYS H H 19 9.132 9.109 0.023 1
1 209 . 12 1 1 A 19 19 CYS HA H 19 5.273 5.430 -0.157 1
1 212 . 12 1 1 A 19 19 CYS C C 19 174.193 173.042 1.151 1
1 213 . 12 1 1 A 19 19 CYS CA C 19 54.753 54.511 0.242 1
1 214 . 12 1 1 A 19 19 CYS CB C 19 43.915 43.940 -0.025 1
1 215 . 12 1 1 A 19 19 CYS N N 19 126.193 125.005 1.188 1
1 216 . 12 1 1 A 20 20 ILE H H 20 10.001 8.998 1.003 1
1 217 . 12 1 1 A 20 20 ILE HA H 20 5.483 5.776 -0.293 1
1 227 . 12 1 1 A 20 20 ILE C C 20 176.355 175.026 1.329 1
1 228 . 12 1 1 A 20 20 ILE CA C 20 59.977 58.970 1.007 1
1 229 . 12 1 1 A 20 20 ILE CB C 20 42.458 42.223 0.235 1
1 233 . 12 1 1 A 20 20 ILE N N 20 119.415 120.077 -0.662 1
1 234 . 12 1 1 A 21 21 ASN H H 21 8.092 8.054 0.038 1
1 235 . 12 1 1 A 21 21 ASN HA H 21 4.906 4.870 0.036 1
1 240 . 12 1 1 A 21 21 ASN CA C 21 50.729 50.979 -0.250 1
1 241 . 12 1 1 A 21 21 ASN CB C 21 38.492 39.818 -1.326 1
1 245 . 12 1 1 A 22 22 HIS C C 22 174.724 176.725 -2.001 1
1 250 . 12 1 1 A 23 23 TYR H H 23 7.932 7.687 0.245 1
1 251 . 12 1 1 A 23 23 TYR HA H 23 4.785 4.518 0.267 1
1 258 . 12 1 1 A 23 23 TYR C C 23 176.186 175.878 0.308 1
1 259 . 12 1 1 A 23 23 TYR CA C 23 56.891 58.312 -1.421 1
1 260 . 12 1 1 A 23 23 TYR CB C 23 38.509 38.717 -0.208 1
1 265 . 12 1 1 A 23 23 TYR N N 23 117.160 117.752 -0.592 1
1 266 . 12 1 1 A 24 24 GLY HA2 H 24 4.411 4.101 0.310 1
1 267 . 12 1 1 A 24 24 GLY HA3 H 24 3.674 4.109 -0.435 1
1 268 . 12 1 1 A 24 24 GLY C C 24 174.895 175.072 -0.177 1
1 269 . 12 1 1 A 24 24 GLY CA C 24 45.377 45.092 0.285 1
1 270 . 12 1 1 A 25 25 GLY H H 25 8.418 8.245 0.173 1
1 271 . 12 1 1 A 25 25 GLY HA2 H 25 4.461 4.043 0.418 1
1 272 . 12 1 1 A 25 25 GLY HA3 H 25 3.737 4.078 -0.341 1
1 273 . 12 1 1 A 25 25 GLY C C 25 172.832 172.085 0.747 1
1 274 . 12 1 1 A 25 25 GLY CA C 25 44.602 45.925 -1.323 1
1 275 . 12 1 1 A 25 25 GLY N N 25 110.337 108.552 1.785 1
1 276 . 12 1 1 A 26 26 TYR H H 26 8.256 8.902 -0.646 1
1 277 . 12 1 1 A 26 26 TYR HA H 26 6.053 5.309 0.744 1
1 284 . 12 1 1 A 26 26 TYR C C 26 173.625 174.258 -0.633 1
1 285 . 12 1 1 A 26 26 TYR CA C 26 55.921 56.476 -0.555 1
1 286 . 12 1 1 A 26 26 TYR CB C 26 42.690 41.557 1.133 1
1 291 . 12 1 1 A 26 26 TYR N N 26 116.601 125.005 -8.404 1
1 292 . 12 1 1 A 27 27 LEU H H 27 9.227 8.901 0.326 1
1 293 . 12 1 1 A 27 27 LEU HA H 27 4.437 4.756 -0.319 1
1 303 . 12 1 1 A 27 27 LEU C C 27 175.019 175.399 -0.380 1
1 304 . 12 1 1 A 27 27 LEU CA C 27 53.999 53.151 0.848 1
1 305 . 12 1 1 A 27 27 LEU CB C 27 46.334 45.307 1.027 1
1 309 . 12 1 1 A 27 27 LEU N N 27 121.005 127.301 -6.296 1
1 310 . 12 1 1 A 28 28 CYS H H 28 8.801 8.730 0.071 1
1 311 . 12 1 1 A 28 28 CYS HA H 28 5.730 5.580 0.150 1
1 314 . 12 1 1 A 28 28 CYS C C 28 174.452 172.644 1.808 1
1 315 . 12 1 1 A 28 28 CYS CA C 28 51.978 54.446 -2.468 1
1 316 . 12 1 1 A 28 28 CYS CB C 28 37.734 44.312 -6.578 1
1 317 . 12 1 1 A 28 28 CYS N N 28 120.613 120.420 0.193 1
1 318 . 12 1 1 A 29 29 LEU H H 29 9.371 8.897 0.474 1
1 319 . 12 1 1 A 29 29 LEU HA H 29 4.891 4.708 0.183 1
1 329 . 12 1 1 A 29 29 LEU C C 29 173.339 174.341 -1.002 1
1 330 . 12 1 1 A 29 29 LEU CA C 29 51.743 51.678 0.065 1
1 331 . 12 1 1 A 29 29 LEU CB C 29 44.633 43.279 1.354 1
1 335 . 12 1 1 A 29 29 LEU N N 29 127.550 126.479 1.071 1
1 336 . 12 1 1 A 30 30 PRO HA H 30 4.478 4.525 -0.047 1
1 343 . 12 1 1 A 30 30 PRO C C 30 177.206 177.314 -0.108 1
1 344 . 12 1 1 A 30 30 PRO CA C 30 62.730 63.033 -0.303 1
1 345 . 12 1 1 A 30 30 PRO CB C 30 31.984 32.302 -0.318 1
1 348 . 12 1 1 A 31 31 ARG H H 31 8.856 8.879 -0.023 1
1 349 . 12 1 1 A 31 31 ARG HA H 31 4.189 4.277 -0.088 1
1 357 . 12 1 1 A 31 31 ARG C C 31 176.891 177.820 -0.929 1
1 358 . 12 1 1 A 31 31 ARG CA C 31 56.964 57.126 -0.162 1
1 359 . 12 1 1 A 31 31 ARG CB C 31 30.633 30.193 0.440 1
1 362 . 12 1 1 A 31 31 ARG N N 31 121.660 124.683 -3.023 1
1 364 . 12 1 1 A 32 32 SER H H 32 8.318 7.670 0.648 1
1 365 . 12 1 1 A 32 32 SER HA H 32 4.389 4.336 0.053 1
1 368 . 12 1 1 A 32 32 SER C C 32 174.251 174.796 -0.545 1
1 369 . 12 1 1 A 32 32 SER CA C 32 58.238 59.864 -1.626 1
1 370 . 12 1 1 A 32 32 SER CB C 32 63.821 62.876 0.945 1
1 371 . 12 1 1 A 32 32 SER N N 32 116.432 112.662 3.770 1
1 372 . 12 1 1 A 33 33 ALA H H 33 8.353 7.517 0.836 1
1 373 . 12 1 1 A 33 33 ALA HA H 33 4.307 4.326 -0.019 1
1 377 . 12 1 1 A 33 33 ALA C C 33 177.290 177.193 0.097 1
1 378 . 12 1 1 A 33 33 ALA CA C 33 52.515 51.876 0.639 1
1 379 . 12 1 1 A 33 33 ALA CB C 33 19.358 20.320 -0.962 1
1 380 . 12 1 1 A 33 33 ALA N N 33 126.203 124.508 1.695 1
1 381 . 12 1 1 A 34 34 ALA H H 34 8.178 8.785 -0.607 1
1 382 . 12 1 1 A 34 34 ALA HA H 34 4.280 4.697 -0.417 1
1 386 . 12 1 1 A 34 34 ALA C C 34 177.519 179.031 -1.512 1
1 387 . 12 1 1 A 34 34 ALA CA C 34 52.480 50.691 1.789 1
1 388 . 12 1 1 A 34 34 ALA CB C 34 19.250 20.181 -0.931 1
1 389 . 12 1 1 A 34 34 ALA N N 34 123.091 122.885 0.206 1
1 390 . 12 1 1 A 35 35 VAL H H 35 8.083 8.739 -0.656 1
1 391 . 12 1 1 A 35 35 VAL HA H 35 4.060 4.278 -0.218 1
1 399 . 12 1 1 A 35 35 VAL C C 35 176.050 176.195 -0.145 1
1 400 . 12 1 1 A 35 35 VAL CA C 35 62.297 62.200 0.097 1
1 401 . 12 1 1 A 35 35 VAL CB C 35 32.695 31.843 0.852 1
1 404 . 12 1 1 A 35 35 VAL N N 35 120.060 118.605 1.455 1
1 405 . 12 1 1 A 36 36 ILE H H 36 8.264 7.296 0.968 1
1 406 . 12 1 1 A 36 36 ILE HA H 36 4.141 4.321 -0.180 1
1 416 . 12 1 1 A 36 36 ILE C C 36 175.848 175.573 0.275 1
1 417 . 12 1 1 A 36 36 ILE CA C 36 60.924 59.648 1.276 1
1 418 . 12 1 1 A 36 36 ILE CB C 36 38.614 39.163 -0.549 1
1 422 . 12 1 1 A 36 36 ILE N N 36 125.147 119.246 5.901 1
1 423 . 12 1 1 A 37 37 ASN H H 37 8.501 8.613 -0.112 1
1 424 . 12 1 1 A 37 37 ASN HA H 37 4.702 4.547 0.155 1
1 429 . 12 1 1 A 37 37 ASN C C 37 174.609 174.628 -0.019 1
1 430 . 12 1 1 A 37 37 ASN CA C 37 53.143 53.773 -0.630 1
1 431 . 12 1 1 A 37 37 ASN CB C 37 38.957 38.493 0.464 1
1 432 . 12 1 1 A 37 37 ASN N N 37 123.292 118.652 4.640 1
1 434 . 12 1 1 A 38 38 ASP H H 38 8.326 8.196 0.130 1
1 435 . 12 1 1 A 38 38 ASP HA H 38 4.562 4.650 -0.088 1
1 438 . 12 1 1 A 38 38 ASP C C 38 176.188 176.501 -0.313 1
1 439 . 12 1 1 A 38 38 ASP CA C 38 54.218 54.212 0.006 1
1 440 . 12 1 1 A 38 38 ASP CB C 38 41.133 41.354 -0.221 1
1 441 . 12 1 1 A 38 38 ASP N N 38 121.317 123.392 -2.075 1
1 442 . 12 1 1 A 39 39 LEU H H 39 8.188 8.527 -0.339 1
1 443 . 12 1 1 A 39 39 LEU HA H 39 4.242 4.296 -0.054 1
1 453 . 12 1 1 A 39 39 LEU C C 39 177.515 177.238 0.277 1
1 454 . 12 1 1 A 39 39 LEU CA C 39 55.501 54.664 0.837 1
1 455 . 12 1 1 A 39 39 LEU CB C 39 42.030 42.730 -0.700 1
1 459 . 12 1 1 A 39 39 LEU N N 39 122.367 125.243 -2.876 1
1 460 . 12 1 1 A 40 40 HIS H H 40 8.418 8.450 -0.032 1
1 461 . 12 1 1 A 40 40 HIS HA H 40 4.636 4.115 0.521 1
1 466 . 12 1 1 A 40 40 HIS C C 40 175.495 174.457 1.038 1
1 467 . 12 1 1 A 40 40 HIS CA C 40 55.920 57.265 -1.345 1
1 468 . 12 1 1 A 40 40 HIS CB C 40 29.633 26.720 2.913 1
1 471 . 12 1 1 A 40 40 HIS N N 40 118.989 115.504 3.485 1
1 474 . 12 1 1 A 41 41 GLY H H 41 8.258 8.029 0.229 1
1 475 . 12 1 1 A 41 41 GLY HA2 H 41 3.969 3.757 0.212 1
1 476 . 12 1 1 A 41 41 GLY HA3 H 41 3.952 3.773 0.179 1
1 477 . 12 1 1 A 41 41 GLY C C 41 174.007 174.030 -0.023 1
1 478 . 12 1 1 A 41 41 GLY CA C 41 45.363 46.598 -1.235 1
1 479 . 12 1 1 A 41 41 GLY N N 41 109.714 106.760 2.954 1
1 480 . 12 1 1 A 42 42 GLU H H 42 8.406 8.374 0.032 1
1 481 . 12 1 1 A 42 42 GLU HA H 42 4.378 4.506 -0.128 1
1 486 . 12 1 1 A 42 42 GLU C C 42 176.668 176.276 0.392 1
1 487 . 12 1 1 A 42 42 GLU CA C 42 56.278 55.353 0.925 1
1 488 . 12 1 1 A 42 42 GLU CB C 42 30.473 30.831 -0.358 1
1 490 . 12 1 1 A 42 42 GLU N N 42 120.561 123.220 -2.659 1
1 491 . 12 1 1 A 43 43 GLY H H 43 8.284 8.428 -0.144 1
1 492 . 12 1 1 A 43 43 GLY HA2 H 43 4.100 4.089 0.011 1
1 493 . 12 1 1 A 43 43 GLY HA3 H 43 4.099 4.090 0.009 1
1 494 . 12 1 1 A 43 43 GLY C C 43 171.027 173.613 -2.586 1
1 495 . 12 1 1 A 43 43 GLY CA C 43 44.399 44.449 -0.050 1
1 496 . 12 1 1 A 43 43 GLY N N 43 110.014 108.193 1.821 1
1 498 . 12 1 1 A 47 47 PRO C C 47 176.172 176.659 -0.487 1
1 499 . 12 1 1 A 47 47 PRO CB C 47 32.134 31.962 0.172 1
1 500 . 12 1 1 A 48 48 VAL H H 48 8.585 7.903 0.682 1
1 501 . 12 1 1 A 48 48 VAL HA H 48 4.438 4.487 -0.049 1
1 508 . 12 1 1 A 48 48 VAL C C 48 174.309 174.548 -0.239 1
1 509 . 12 1 1 A 48 48 VAL CA C 48 59.190 59.473 -0.283 1
1 512 . 12 1 1 A 48 48 VAL N N 48 125.965 116.460 9.505 1
1 513 . 12 1 1 A 50 50 PRO HA H 50 4.353 4.372 -0.019 1
1 520 . 12 1 1 A 50 50 PRO C C 50 176.824 177.931 -1.107 1
1 521 . 12 1 1 A 50 50 PRO CA C 50 63.194 64.875 -1.681 1
1 522 . 12 1 1 A 50 50 PRO CB C 50 32.006 31.657 0.349 1
1 525 . 12 1 1 A 51 51 ALA H H 51 8.301 8.028 0.273 1
1 526 . 12 1 1 A 51 51 ALA HA H 51 4.241 4.498 -0.257 1
1 530 . 12 1 1 A 51 51 ALA C C 51 177.617 177.397 0.220 1
1 531 . 12 1 1 A 51 51 ALA CA C 51 52.717 52.680 0.037 1
1 532 . 12 1 1 A 51 51 ALA CB C 51 19.211 19.720 -0.509 1
1 533 . 12 1 1 A 51 51 ALA N N 51 122.996 119.317 3.679 1
1 534 . 12 1 1 A 52 52 GLN H H 52 8.165 7.438 0.727 1
1 535 . 12 1 1 A 52 52 GLN HA H 52 4.266 4.310 -0.044 1
1 542 . 12 1 1 A 52 52 GLN C C 52 175.394 175.749 -0.355 1
1 543 . 12 1 1 A 52 52 GLN CA C 52 55.582 56.022 -0.440 1
1 544 . 12 1 1 A 52 52 GLN CB C 52 29.636 28.749 0.887 1
1 546 . 12 1 1 A 52 52 GLN N N 52 118.178 118.853 -0.675 1
1 548 . 12 1 1 A 53 53 HIS H H 53 8.395 8.861 -0.466 1
1 549 . 12 1 1 A 53 53 HIS HA H 53 4.872 4.930 -0.058 1
1 554 . 12 1 1 A 53 53 HIS C C 53 173.260 175.073 -1.813 1
1 555 . 12 1 1 A 53 53 HIS CA C 53 54.036 53.998 0.038 1
1 556 . 12 1 1 A 53 53 HIS CB C 53 29.841 31.803 -1.962 1
1 559 . 12 1 1 A 53 53 HIS N N 53 121.522 122.414 -0.892 1
1 562 . 12 1 1 A 54 54 PRO HA H 54 4.547 4.269 0.278 1
1 569 . 12 1 1 A 54 54 PRO C C 54 176.605 176.848 -0.243 1
1 570 . 12 1 1 A 54 54 PRO CA C 54 62.997 64.786 -1.789 1
1 571 . 12 1 1 A 54 54 PRO CB C 54 32.349 31.899 0.450 1
1 574 . 12 1 1 A 55 55 ASN H H 55 8.646 8.154 0.492 1
1 575 . 12 1 1 A 55 55 ASN HA H 55 4.969 4.420 0.549 1
1 580 . 12 1 1 A 55 55 ASN C C 55 171.312 175.921 -4.609 1
1 581 . 12 1 1 A 55 55 ASN CA C 55 50.412 53.603 -3.191 1
1 582 . 12 1 1 A 55 55 ASN CB C 55 39.150 36.901 2.249 1
1 583 . 12 1 1 A 55 55 ASN N N 55 119.583 114.184 5.399 1
1 585 . 12 1 1 A 56 56 PRO HA H 56 4.400 4.498 -0.098 1
1 592 . 12 1 1 A 56 56 PRO C C 56 176.686 176.396 0.290 1
1 593 . 12 1 1 A 56 56 PRO CA C 56 63.273 64.192 -0.919 1
1 594 . 12 1 1 A 56 56 PRO CB C 56 31.783 31.488 0.295 1
1 597 . 12 1 1 A 57 57 CYS H H 57 7.831 8.025 -0.194 1
1 598 . 12 1 1 A 57 57 CYS HA H 57 4.443 4.688 -0.245 1
1 601 . 12 1 1 A 57 57 CYS C C 57 173.881 172.010 1.871 1
1 602 . 12 1 1 A 57 57 CYS CA C 57 59.103 55.626 3.477 1
1 603 . 12 1 1 A 57 57 CYS CB C 57 32.909 42.385 -9.476 1
1 604 . 12 1 1 A 57 57 CYS N N 57 119.502 118.235 1.267 1
1 605 . 12 1 1 A 59 59 PRO HA H 59 4.385 4.313 0.072 1
1 612 . 12 1 1 A 59 59 PRO C C 59 177.996 177.400 0.596 1
1 613 . 12 1 1 A 59 59 PRO CA C 59 64.249 64.003 0.246 1
1 614 . 12 1 1 A 59 59 PRO CB C 59 31.776 31.453 0.323 1
1 617 . 12 1 1 A 60 60 GLY H H 60 8.761 8.856 -0.095 1
1 618 . 12 1 1 A 60 60 GLY HA2 H 60 4.302 3.823 0.479 1
1 619 . 12 1 1 A 60 60 GLY HA3 H 60 3.619 3.854 -0.235 1
1 620 . 12 1 1 A 60 60 GLY C C 60 173.861 172.862 0.999 1
1 621 . 12 1 1 A 60 60 GLY CA C 60 44.888 45.105 -0.217 1
1 622 . 12 1 1 A 60 60 GLY N N 60 112.485 112.835 -0.350 1
1 623 . 12 1 1 A 61 61 TYR H H 61 8.522 7.940 0.582 1
1 624 . 12 1 1 A 61 61 TYR HA H 61 5.083 5.017 0.066 1
1 631 . 12 1 1 A 61 61 TYR C C 61 174.910 175.190 -0.280 1
1 632 . 12 1 1 A 61 61 TYR CA C 61 56.152 56.868 -0.716 1
1 633 . 12 1 1 A 61 61 TYR CB C 61 42.124 41.978 0.146 1
1 638 . 12 1 1 A 61 61 TYR N N 61 118.801 118.932 -0.131 1
1 639 . 12 1 1 A 62 62 GLU H H 62 9.129 9.366 -0.237 1
1 640 . 12 1 1 A 62 62 GLU HA H 62 4.962 5.059 -0.097 1
1 645 . 12 1 1 A 62 62 GLU C C 62 173.115 174.364 -1.249 1
1 646 . 12 1 1 A 62 62 GLU CA C 62 53.654 53.844 -0.190 1
1 647 . 12 1 1 A 62 62 GLU CB C 62 31.928 32.862 -0.934 1
1 649 . 12 1 1 A 62 62 GLU N N 62 118.016 119.965 -1.949 1
1 650 . 12 1 1 A 63 63 PRO HA H 63 4.743 4.851 -0.108 1
1 657 . 12 1 1 A 63 63 PRO C C 63 177.040 175.979 1.061 1
1 658 . 12 1 1 A 63 63 PRO CA C 63 63.759 62.198 1.561 1
1 659 . 12 1 1 A 63 63 PRO CB C 63 32.352 32.264 0.088 1
1 662 . 12 1 1 A 64 64 ASP H H 64 8.595 8.488 0.107 1
1 663 . 12 1 1 A 64 64 ASP HA H 64 4.679 4.817 -0.138 1
1 666 . 12 1 1 A 64 64 ASP C C 64 175.960 174.194 1.766 1
1 667 . 12 1 1 A 64 64 ASP CA C 64 53.790 53.141 0.649 1
1 668 . 12 1 1 A 64 64 ASP CB C 64 42.611 41.056 1.555 1
1 669 . 12 1 1 A 64 64 ASP N N 64 122.807 121.542 1.265 1
1 670 . 12 1 1 A 65 65 ASP H H 65 8.437 8.736 -0.299 1
1 671 . 12 1 1 A 65 65 ASP HA H 65 4.701 4.928 -0.227 1
1 674 . 12 1 1 A 65 65 ASP C C 65 176.412 175.776 0.636 1
1 675 . 12 1 1 A 65 65 ASP CA C 65 54.043 53.939 0.104 1
1 676 . 12 1 1 A 65 65 ASP CB C 65 41.279 41.228 0.051 1
1 677 . 12 1 1 A 65 65 ASP N N 65 124.473 127.009 -2.536 1
1 678 . 12 1 1 A 66 66 GLN H H 66 8.316 8.673 -0.357 1
1 679 . 12 1 1 A 66 66 GLN HA H 66 4.290 4.987 -0.697 1
1 686 . 12 1 1 A 66 66 GLN C C 66 175.877 174.003 1.874 1
1 687 . 12 1 1 A 66 66 GLN CA C 66 55.992 54.232 1.760 1
1 688 . 12 1 1 A 66 66 GLN CB C 66 29.565 31.885 -2.320 1
1 690 . 12 1 1 A 66 66 GLN N N 66 120.317 122.419 -2.102 1
1 692 . 12 1 1 A 67 67 ASP H H 67 8.438 8.895 -0.457 1
1 693 . 12 1 1 A 67 67 ASP HA H 67 4.619 5.033 -0.414 1
1 696 . 12 1 1 A 67 67 ASP C C 67 176.300 175.810 0.490 1
1 697 . 12 1 1 A 67 67 ASP CA C 67 54.535 53.654 0.881 1
1 698 . 12 1 1 A 67 67 ASP CB C 67 41.210 40.824 0.386 1
1 699 . 12 1 1 A 67 67 ASP N N 67 121.942 124.789 -2.847 1
1 700 . 12 1 1 A 68 68 SER H H 68 8.274 8.862 -0.588 1
1 701 . 12 1 1 A 68 68 SER HA H 68 4.476 4.683 -0.207 1
1 704 . 12 1 1 A 68 68 SER C C 68 174.516 175.119 -0.603 1
1 705 . 12 1 1 A 68 68 SER CA C 68 58.615 57.505 1.110 1
1 706 . 12 1 1 A 68 68 SER CB C 68 63.911 63.654 0.257 1
1 707 . 12 1 1 A 68 68 SER N N 68 116.099 119.607 -3.508 1
1 708 . 12 1 1 A 69 69 CYS H H 69 8.589 8.424 0.165 1
1 709 . 12 1 1 A 69 69 CYS HA H 69 4.719 4.585 0.134 1
1 712 . 12 1 1 A 69 69 CYS C C 69 174.437 173.690 0.747 1
1 713 . 12 1 1 A 69 69 CYS CA C 69 55.620 57.198 -1.578 1
1 714 . 12 1 1 A 69 69 CYS CB C 69 40.727 43.573 -2.846 1
1 715 . 12 1 1 A 69 69 CYS N N 69 120.951 118.997 1.954 1
1 716 . 12 1 1 A 70 70 VAL H H 70 8.150 7.353 0.797 1
1 717 . 12 1 1 A 70 70 VAL HA H 70 4.193 4.623 -0.430 1
1 725 . 12 1 1 A 70 70 VAL C C 70 174.771 174.787 -0.016 1
1 726 . 12 1 1 A 70 70 VAL CA C 70 62.021 59.611 2.410 1
1 727 . 12 1 1 A 70 70 VAL CB C 70 33.168 34.355 -1.187 1
1 730 . 12 1 1 A 70 70 VAL N N 70 120.979 116.837 4.142 1
1 2 . 13 1 1 A 2 2 ASP H H 2 8.270 8.056 0.214 1
1 3 . 13 1 1 A 2 2 ASP HA H 2 4.706 4.666 0.040 1
1 6 . 13 1 1 A 2 2 ASP C C 2 176.240 176.776 -0.536 1
1 7 . 13 1 1 A 2 2 ASP CA C 2 54.448 55.980 -1.532 1
1 8 . 13 1 1 A 2 2 ASP CB C 2 41.396 41.429 -0.033 1
1 9 . 13 1 1 A 2 2 ASP N N 2 116.604 119.849 -3.245 1
1 10 . 13 1 1 A 3 3 VAL H H 3 8.197 7.465 0.732 1
1 11 . 13 1 1 A 3 3 VAL HA H 3 4.090 4.084 0.006 1
1 19 . 13 1 1 A 3 3 VAL C C 3 175.880 173.991 1.889 1
1 20 . 13 1 1 A 3 3 VAL CA C 3 62.509 62.194 0.315 1
1 21 . 13 1 1 A 3 3 VAL CB C 3 32.701 30.971 1.730 1
1 24 . 13 1 1 A 3 3 VAL N N 3 119.871 120.500 -0.629 1
1 25 . 13 1 1 A 4 4 ASN H H 4 8.502 8.592 -0.090 1
1 26 . 13 1 1 A 4 4 ASN HA H 4 4.700 5.339 -0.639 1
1 31 . 13 1 1 A 4 4 ASN C C 4 175.378 174.942 0.436 1
1 32 . 13 1 1 A 4 4 ASN CA C 4 53.427 52.144 1.283 1
1 33 . 13 1 1 A 4 4 ASN CB C 4 39.212 40.633 -1.421 1
1 34 . 13 1 1 A 4 4 ASN N N 4 121.932 128.035 -6.103 1
1 36 . 13 1 1 A 5 5 GLU H H 5 8.453 8.903 -0.450 1
1 37 . 13 1 1 A 5 5 GLU HA H 5 4.281 4.476 -0.195 1
1 42 . 13 1 1 A 5 5 GLU C C 5 176.502 177.570 -1.068 1
1 43 . 13 1 1 A 5 5 GLU CA C 5 56.925 55.741 1.184 1
1 44 . 13 1 1 A 5 5 GLU CB C 5 30.226 30.735 -0.509 1
1 46 . 13 1 1 A 5 5 GLU N N 5 122.108 123.925 -1.817 1
1 47 . 13 1 1 A 6 6 CYS H H 6 8.519 8.625 -0.106 1
1 48 . 13 1 1 A 6 6 CYS HA H 6 4.605 4.642 -0.037 1
1 51 . 13 1 1 A 6 6 CYS C C 6 174.876 174.343 0.533 1
1 52 . 13 1 1 A 6 6 CYS CA C 6 56.068 56.861 -0.793 1
1 53 . 13 1 1 A 6 6 CYS CB C 6 40.544 42.362 -1.818 1
1 54 . 13 1 1 A 6 6 CYS N N 6 119.657 119.693 -0.036 1
1 55 . 13 1 1 A 7 7 LEU H H 7 8.372 7.763 0.609 1
1 56 . 13 1 1 A 7 7 LEU HA H 7 4.361 4.618 -0.257 1
1 66 . 13 1 1 A 7 7 LEU C C 7 177.534 176.771 0.763 1
1 67 . 13 1 1 A 7 7 LEU CA C 7 55.778 54.375 1.403 1
1 68 . 13 1 1 A 7 7 LEU CB C 7 42.554 42.202 0.352 1
1 72 . 13 1 1 A 7 7 LEU N N 7 123.198 116.264 6.934 1
1 73 . 13 1 1 A 8 8 THR H H 8 8.018 7.552 0.466 1
1 74 . 13 1 1 A 8 8 THR HA H 8 4.332 4.312 0.020 1
1 79 . 13 1 1 A 8 8 THR C C 8 174.296 174.578 -0.282 1
1 80 . 13 1 1 A 8 8 THR CA C 8 61.745 62.534 -0.789 1
1 81 . 13 1 1 A 8 8 THR CB C 8 69.529 69.606 -0.077 1
1 83 . 13 1 1 A 8 8 THR N N 8 113.232 116.210 -2.978 1
1 84 . 13 1 1 A 9 9 ILE H H 9 7.827 8.529 -0.702 1
1 85 . 13 1 1 A 9 9 ILE HA H 9 4.472 4.553 -0.081 1
1 95 . 13 1 1 A 9 9 ILE C C 9 174.443 174.751 -0.308 1
1 96 . 13 1 1 A 9 9 ILE CA C 9 58.355 58.681 -0.326 1
1 97 . 13 1 1 A 9 9 ILE CB C 9 38.496 37.887 0.609 1
1 101 . 13 1 1 A 9 9 ILE N N 9 123.285 125.765 -2.480 1
1 102 . 13 1 1 A 10 10 PRO HA H 10 4.351 4.560 -0.209 1
1 109 . 13 1 1 A 10 10 PRO C C 10 177.207 177.562 -0.355 1
1 110 . 13 1 1 A 10 10 PRO CA C 10 63.599 62.920 0.679 1
1 111 . 13 1 1 A 10 10 PRO CB C 10 31.965 30.642 1.323 1
1 114 . 13 1 1 A 11 11 GLU H H 11 8.555 8.613 -0.058 1
1 115 . 13 1 1 A 11 11 GLU HA H 11 4.053 4.181 -0.128 1
1 120 . 13 1 1 A 11 11 GLU C C 11 176.353 176.745 -0.392 1
1 121 . 13 1 1 A 11 11 GLU CA C 11 56.955 57.629 -0.674 1
1 122 . 13 1 1 A 11 11 GLU CB C 11 29.589 30.062 -0.473 1
1 124 . 13 1 1 A 11 11 GLU N N 11 120.562 122.150 -1.588 1
1 125 . 13 1 1 A 12 12 ALA H H 12 8.089 7.503 0.586 1
1 126 . 13 1 1 A 12 12 ALA HA H 12 4.233 4.455 -0.222 1
1 130 . 13 1 1 A 12 12 ALA C C 12 178.135 176.748 1.387 1
1 131 . 13 1 1 A 12 12 ALA CA C 12 53.092 51.898 1.194 1
1 132 . 13 1 1 A 12 12 ALA CB C 12 19.570 20.653 -1.083 1
1 133 . 13 1 1 A 12 12 ALA N N 12 123.927 121.537 2.390 1
1 134 . 13 1 1 A 13 13 CYS H H 13 8.725 8.680 0.045 1
1 135 . 13 1 1 A 13 13 CYS HA H 13 4.816 5.212 -0.396 1
1 138 . 13 1 1 A 13 13 CYS C C 13 175.490 173.350 2.140 1
1 139 . 13 1 1 A 13 13 CYS CA C 13 52.752 54.746 -1.994 1
1 140 . 13 1 1 A 13 13 CYS CB C 13 36.168 43.172 -7.004 1
1 141 . 13 1 1 A 13 13 CYS N N 13 114.120 117.974 -3.854 1
1 142 . 13 1 1 A 14 14 LYS H H 14 8.246 8.695 -0.449 1
1 143 . 13 1 1 A 14 14 LYS HA H 14 4.027 3.902 0.125 1
1 152 . 13 1 1 A 14 14 LYS C C 14 177.863 177.576 0.287 1
1 153 . 13 1 1 A 14 14 LYS CA C 14 58.289 58.293 -0.004 1
1 154 . 13 1 1 A 14 14 LYS CB C 14 31.489 31.957 -0.468 1
1 158 . 13 1 1 A 14 14 LYS N N 14 121.767 125.691 -3.924 1
1 159 . 13 1 1 A 15 15 GLY H H 15 8.979 8.778 0.201 1
1 160 . 13 1 1 A 15 15 GLY HA2 H 15 4.161 3.915 0.246 1
1 161 . 13 1 1 A 15 15 GLY HA3 H 15 3.765 3.917 -0.152 1
1 162 . 13 1 1 A 15 15 GLY C C 15 173.903 173.450 0.453 1
1 163 . 13 1 1 A 15 15 GLY CA C 15 45.603 45.554 0.049 1
1 164 . 13 1 1 A 15 15 GLY N N 15 113.508 114.409 -0.901 1
1 165 . 13 1 1 A 16 16 GLU H H 16 8.027 7.910 0.117 1
1 166 . 13 1 1 A 16 16 GLU HA H 16 4.555 4.899 -0.344 1
1 171 . 13 1 1 A 16 16 GLU C C 16 174.310 175.022 -0.712 1
1 172 . 13 1 1 A 16 16 GLU CA C 16 55.213 54.374 0.839 1
1 173 . 13 1 1 A 16 16 GLU CB C 16 31.839 33.658 -1.819 1
1 175 . 13 1 1 A 16 16 GLU N N 16 120.692 119.468 1.224 1
1 176 . 13 1 1 A 17 17 MET H H 17 8.943 8.453 0.490 1
1 177 . 13 1 1 A 17 17 MET HA H 17 4.584 4.980 -0.396 1
1 185 . 13 1 1 A 17 17 MET C C 17 173.801 175.426 -1.625 1
1 186 . 13 1 1 A 17 17 MET CA C 17 55.183 54.262 0.921 1
1 187 . 13 1 1 A 17 17 MET CB C 17 34.221 33.849 0.372 1
1 190 . 13 1 1 A 17 17 MET N N 17 120.713 120.074 0.639 1
1 191 . 13 1 1 A 18 18 LYS H H 18 8.789 8.577 0.212 1
1 192 . 13 1 1 A 18 18 LYS HA H 18 5.083 4.728 0.355 1
1 201 . 13 1 1 A 18 18 LYS C C 18 175.138 174.623 0.515 1
1 202 . 13 1 1 A 18 18 LYS CA C 18 55.726 54.938 0.788 1
1 203 . 13 1 1 A 18 18 LYS CB C 18 35.053 34.199 0.854 1
1 207 . 13 1 1 A 18 18 LYS N N 18 127.261 122.456 4.805 1
1 208 . 13 1 1 A 19 19 CYS H H 19 9.132 9.255 -0.123 1
1 209 . 13 1 1 A 19 19 CYS HA H 19 5.273 5.503 -0.230 1
1 212 . 13 1 1 A 19 19 CYS C C 19 174.193 172.945 1.248 1
1 213 . 13 1 1 A 19 19 CYS CA C 19 54.753 54.473 0.280 1
1 214 . 13 1 1 A 19 19 CYS CB C 19 43.915 44.009 -0.094 1
1 215 . 13 1 1 A 19 19 CYS N N 19 126.193 124.418 1.775 1
1 216 . 13 1 1 A 20 20 ILE H H 20 10.001 8.927 1.074 1
1 217 . 13 1 1 A 20 20 ILE HA H 20 5.483 5.685 -0.202 1
1 227 . 13 1 1 A 20 20 ILE C C 20 176.355 174.567 1.788 1
1 228 . 13 1 1 A 20 20 ILE CA C 20 59.977 59.028 0.949 1
1 229 . 13 1 1 A 20 20 ILE CB C 20 42.458 42.384 0.074 1
1 233 . 13 1 1 A 20 20 ILE N N 20 119.415 120.056 -0.641 1
1 234 . 13 1 1 A 21 21 ASN H H 21 8.092 8.557 -0.465 1
1 235 . 13 1 1 A 21 21 ASN HA H 21 4.906 5.167 -0.261 1
1 240 . 13 1 1 A 21 21 ASN CA C 21 50.729 50.945 -0.216 1
1 241 . 13 1 1 A 21 21 ASN CB C 21 38.492 41.107 -2.615 1
1 245 . 13 1 1 A 22 22 HIS C C 22 174.724 176.987 -2.263 1
1 250 . 13 1 1 A 23 23 TYR H H 23 7.932 7.871 0.061 1
1 251 . 13 1 1 A 23 23 TYR HA H 23 4.785 4.445 0.340 1
1 258 . 13 1 1 A 23 23 TYR C C 23 176.186 176.057 0.129 1
1 259 . 13 1 1 A 23 23 TYR CA C 23 56.891 58.562 -1.671 1
1 260 . 13 1 1 A 23 23 TYR CB C 23 38.509 38.687 -0.178 1
1 265 . 13 1 1 A 23 23 TYR N N 23 117.160 117.857 -0.697 1
1 266 . 13 1 1 A 24 24 GLY HA2 H 24 4.411 4.062 0.349 1
1 267 . 13 1 1 A 24 24 GLY HA3 H 24 3.674 4.069 -0.395 1
1 268 . 13 1 1 A 24 24 GLY C C 24 174.895 174.920 -0.025 1
1 269 . 13 1 1 A 24 24 GLY CA C 24 45.377 45.103 0.274 1
1 270 . 13 1 1 A 25 25 GLY H H 25 8.418 8.278 0.140 1
1 271 . 13 1 1 A 25 25 GLY HA2 H 25 4.461 4.167 0.294 1
1 272 . 13 1 1 A 25 25 GLY HA3 H 25 3.737 4.293 -0.556 1
1 273 . 13 1 1 A 25 25 GLY C C 25 172.832 171.881 0.951 1
1 274 . 13 1 1 A 25 25 GLY CA C 25 44.602 45.311 -0.709 1
1 275 . 13 1 1 A 25 25 GLY N N 25 110.337 108.890 1.447 1
1 276 . 13 1 1 A 26 26 TYR H H 26 8.256 8.997 -0.741 1
1 277 . 13 1 1 A 26 26 TYR HA H 26 6.053 5.365 0.688 1
1 284 . 13 1 1 A 26 26 TYR C C 26 173.625 173.960 -0.335 1
1 285 . 13 1 1 A 26 26 TYR CA C 26 55.921 56.427 -0.506 1
1 286 . 13 1 1 A 26 26 TYR CB C 26 42.690 41.915 0.775 1
1 291 . 13 1 1 A 26 26 TYR N N 26 116.601 123.112 -6.511 1
1 292 . 13 1 1 A 27 27 LEU H H 27 9.227 8.773 0.454 1
1 293 . 13 1 1 A 27 27 LEU HA H 27 4.437 4.578 -0.141 1
1 303 . 13 1 1 A 27 27 LEU C C 27 175.019 175.208 -0.189 1
1 304 . 13 1 1 A 27 27 LEU CA C 27 53.999 53.151 0.848 1
1 305 . 13 1 1 A 27 27 LEU CB C 27 46.334 45.706 0.628 1
1 309 . 13 1 1 A 27 27 LEU N N 27 121.005 126.868 -5.863 1
1 310 . 13 1 1 A 28 28 CYS H H 28 8.801 8.659 0.142 1
1 311 . 13 1 1 A 28 28 CYS HA H 28 5.730 5.524 0.206 1
1 314 . 13 1 1 A 28 28 CYS C C 28 174.452 172.033 2.419 1
1 315 . 13 1 1 A 28 28 CYS CA C 28 51.978 54.420 -2.442 1
1 316 . 13 1 1 A 28 28 CYS CB C 28 37.734 46.213 -8.479 1
1 317 . 13 1 1 A 28 28 CYS N N 28 120.613 120.107 0.506 1
1 318 . 13 1 1 A 29 29 LEU H H 29 9.371 9.033 0.338 1
1 319 . 13 1 1 A 29 29 LEU HA H 29 4.891 4.719 0.172 1
1 329 . 13 1 1 A 29 29 LEU C C 29 173.339 174.551 -1.212 1
1 330 . 13 1 1 A 29 29 LEU CA C 29 51.743 51.181 0.562 1
1 331 . 13 1 1 A 29 29 LEU CB C 29 44.633 44.808 -0.175 1
1 335 . 13 1 1 A 29 29 LEU N N 29 127.550 125.231 2.319 1
1 336 . 13 1 1 A 30 30 PRO HA H 30 4.478 4.885 -0.407 1
1 343 . 13 1 1 A 30 30 PRO C C 30 177.206 177.501 -0.295 1
1 344 . 13 1 1 A 30 30 PRO CA C 30 62.730 62.839 -0.109 1
1 345 . 13 1 1 A 30 30 PRO CB C 30 31.984 32.610 -0.626 1
1 348 . 13 1 1 A 31 31 ARG H H 31 8.856 8.981 -0.125 1
1 349 . 13 1 1 A 31 31 ARG HA H 31 4.189 4.075 0.114 1
1 357 . 13 1 1 A 31 31 ARG C C 31 176.891 177.971 -1.080 1
1 358 . 13 1 1 A 31 31 ARG CA C 31 56.964 58.310 -1.346 1
1 359 . 13 1 1 A 31 31 ARG CB C 31 30.633 29.952 0.681 1
1 362 . 13 1 1 A 31 31 ARG N N 31 121.660 124.683 -3.023 1
1 364 . 13 1 1 A 32 32 SER H H 32 8.318 8.061 0.257 1
1 365 . 13 1 1 A 32 32 SER HA H 32 4.389 4.275 0.114 1
1 368 . 13 1 1 A 32 32 SER C C 32 174.251 174.891 -0.640 1
1 369 . 13 1 1 A 32 32 SER CA C 32 58.238 61.438 -3.200 1
1 370 . 13 1 1 A 32 32 SER CB C 32 63.821 63.005 0.816 1
1 371 . 13 1 1 A 32 32 SER N N 32 116.432 114.527 1.905 1
1 372 . 13 1 1 A 33 33 ALA H H 33 8.353 7.343 1.010 1
1 373 . 13 1 1 A 33 33 ALA HA H 33 4.307 4.432 -0.125 1
1 377 . 13 1 1 A 33 33 ALA C C 33 177.290 177.018 0.272 1
1 378 . 13 1 1 A 33 33 ALA CA C 33 52.515 51.173 1.342 1
1 379 . 13 1 1 A 33 33 ALA CB C 33 19.358 20.230 -0.872 1
1 380 . 13 1 1 A 33 33 ALA N N 33 126.203 122.536 3.667 1
1 381 . 13 1 1 A 34 34 ALA H H 34 8.178 8.815 -0.637 1
1 382 . 13 1 1 A 34 34 ALA HA H 34 4.280 4.617 -0.337 1
1 386 . 13 1 1 A 34 34 ALA C C 34 177.519 178.917 -1.398 1
1 387 . 13 1 1 A 34 34 ALA CA C 34 52.480 51.643 0.837 1
1 388 . 13 1 1 A 34 34 ALA CB C 34 19.250 19.910 -0.660 1
1 389 . 13 1 1 A 34 34 ALA N N 34 123.091 125.108 -2.017 1
1 390 . 13 1 1 A 35 35 VAL H H 35 8.083 8.557 -0.474 1
1 391 . 13 1 1 A 35 35 VAL HA H 35 4.060 4.299 -0.239 1
1 399 . 13 1 1 A 35 35 VAL C C 35 176.050 176.348 -0.298 1
1 400 . 13 1 1 A 35 35 VAL CA C 35 62.297 61.795 0.502 1
1 401 . 13 1 1 A 35 35 VAL CB C 35 32.695 31.873 0.822 1
1 404 . 13 1 1 A 35 35 VAL N N 35 120.060 118.245 1.815 1
1 405 . 13 1 1 A 36 36 ILE H H 36 8.264 7.434 0.830 1
1 406 . 13 1 1 A 36 36 ILE HA H 36 4.141 4.131 0.010 1
1 416 . 13 1 1 A 36 36 ILE C C 36 175.848 176.269 -0.421 1
1 417 . 13 1 1 A 36 36 ILE CA C 36 60.924 61.089 -0.165 1
1 418 . 13 1 1 A 36 36 ILE CB C 36 38.614 38.882 -0.268 1
1 422 . 13 1 1 A 36 36 ILE N N 36 125.147 120.310 4.837 1
1 423 . 13 1 1 A 37 37 ASN H H 37 8.501 8.814 -0.313 1
1 424 . 13 1 1 A 37 37 ASN HA H 37 4.702 4.946 -0.244 1
1 429 . 13 1 1 A 37 37 ASN C C 37 174.609 174.326 0.283 1
1 430 . 13 1 1 A 37 37 ASN CA C 37 53.143 51.887 1.256 1
1 431 . 13 1 1 A 37 37 ASN CB C 37 38.957 38.441 0.516 1
1 432 . 13 1 1 A 37 37 ASN N N 37 123.292 121.245 2.047 1
1 434 . 13 1 1 A 38 38 ASP H H 38 8.326 7.565 0.761 1
1 435 . 13 1 1 A 38 38 ASP HA H 38 4.562 4.827 -0.265 1
1 438 . 13 1 1 A 38 38 ASP C C 38 176.188 175.308 0.880 1
1 439 . 13 1 1 A 38 38 ASP CA C 38 54.218 53.317 0.901 1
1 440 . 13 1 1 A 38 38 ASP CB C 38 41.133 40.280 0.853 1
1 441 . 13 1 1 A 38 38 ASP N N 38 121.317 121.065 0.252 1
1 442 . 13 1 1 A 39 39 LEU H H 39 8.188 8.128 0.060 1
1 443 . 13 1 1 A 39 39 LEU HA H 39 4.242 5.193 -0.951 1
1 453 . 13 1 1 A 39 39 LEU C C 39 177.515 175.068 2.447 1
1 454 . 13 1 1 A 39 39 LEU CA C 39 55.501 52.796 2.705 1
1 455 . 13 1 1 A 39 39 LEU CB C 39 42.030 44.483 -2.453 1
1 459 . 13 1 1 A 39 39 LEU N N 39 122.367 120.493 1.874 1
1 460 . 13 1 1 A 40 40 HIS H H 40 8.418 8.949 -0.531 1
1 461 . 13 1 1 A 40 40 HIS HA H 40 4.636 5.252 -0.616 1
1 466 . 13 1 1 A 40 40 HIS C C 40 175.495 174.885 0.610 1
1 467 . 13 1 1 A 40 40 HIS CA C 40 55.920 53.838 2.082 1
1 468 . 13 1 1 A 40 40 HIS CB C 40 29.633 31.293 -1.660 1
1 471 . 13 1 1 A 40 40 HIS N N 40 118.989 117.819 1.170 1
1 474 . 13 1 1 A 41 41 GLY H H 41 8.258 9.110 -0.852 1
1 475 . 13 1 1 A 41 41 GLY HA2 H 41 3.969 4.153 -0.184 1
1 476 . 13 1 1 A 41 41 GLY HA3 H 41 3.952 4.169 -0.217 1
1 477 . 13 1 1 A 41 41 GLY C C 41 174.007 172.300 1.707 1
1 478 . 13 1 1 A 41 41 GLY CA C 41 45.363 44.174 1.189 1
1 479 . 13 1 1 A 41 41 GLY N N 41 109.714 111.739 -2.025 1
1 480 . 13 1 1 A 42 42 GLU H H 42 8.406 8.790 -0.384 1
1 481 . 13 1 1 A 42 42 GLU HA H 42 4.378 4.426 -0.048 1
1 486 . 13 1 1 A 42 42 GLU C C 42 176.668 176.567 0.101 1
1 487 . 13 1 1 A 42 42 GLU CA C 42 56.278 56.260 0.018 1
1 488 . 13 1 1 A 42 42 GLU CB C 42 30.473 29.556 0.917 1
1 490 . 13 1 1 A 42 42 GLU N N 42 120.561 122.345 -1.784 1
1 491 . 13 1 1 A 43 43 GLY H H 43 8.284 8.699 -0.415 1
1 492 . 13 1 1 A 43 43 GLY HA2 H 43 4.100 3.867 0.233 1
1 493 . 13 1 1 A 43 43 GLY HA3 H 43 4.099 3.870 0.229 1
1 494 . 13 1 1 A 43 43 GLY C C 43 171.027 173.794 -2.767 1
1 495 . 13 1 1 A 43 43 GLY CA C 43 44.399 46.897 -2.498 1
1 496 . 13 1 1 A 43 43 GLY N N 43 110.014 115.941 -5.927 1
1 498 . 13 1 1 A 47 47 PRO C C 47 176.172 176.613 -0.441 1
1 499 . 13 1 1 A 47 47 PRO CB C 47 32.134 31.690 0.444 1
1 500 . 13 1 1 A 48 48 VAL H H 48 8.585 8.050 0.535 1
1 501 . 13 1 1 A 48 48 VAL HA H 48 4.438 4.434 0.004 1
1 508 . 13 1 1 A 48 48 VAL C C 48 174.309 174.505 -0.196 1
1 509 . 13 1 1 A 48 48 VAL CA C 48 59.190 58.753 0.437 1
1 512 . 13 1 1 A 48 48 VAL N N 48 125.965 117.235 8.730 1
1 513 . 13 1 1 A 50 50 PRO HA H 50 4.353 4.612 -0.259 1
1 520 . 13 1 1 A 50 50 PRO C C 50 176.824 176.753 0.071 1
1 521 . 13 1 1 A 50 50 PRO CA C 50 63.194 64.221 -1.027 1
1 522 . 13 1 1 A 50 50 PRO CB C 50 32.006 32.131 -0.125 1
1 525 . 13 1 1 A 51 51 ALA H H 51 8.301 8.303 -0.002 1
1 526 . 13 1 1 A 51 51 ALA HA H 51 4.241 4.423 -0.182 1
1 530 . 13 1 1 A 51 51 ALA C C 51 177.617 177.543 0.074 1
1 531 . 13 1 1 A 51 51 ALA CA C 51 52.717 51.129 1.588 1
1 532 . 13 1 1 A 51 51 ALA CB C 51 19.211 17.489 1.722 1
1 533 . 13 1 1 A 51 51 ALA N N 51 122.996 120.048 2.948 1
1 534 . 13 1 1 A 52 52 GLN H H 52 8.165 8.519 -0.354 1
1 535 . 13 1 1 A 52 52 GLN HA H 52 4.266 4.378 -0.112 1
1 542 . 13 1 1 A 52 52 GLN C C 52 175.394 175.065 0.329 1
1 543 . 13 1 1 A 52 52 GLN CA C 52 55.582 56.050 -0.468 1
1 544 . 13 1 1 A 52 52 GLN CB C 52 29.636 29.418 0.218 1
1 546 . 13 1 1 A 52 52 GLN N N 52 118.178 123.065 -4.887 1
1 548 . 13 1 1 A 53 53 HIS H H 53 8.395 7.679 0.716 1
1 549 . 13 1 1 A 53 53 HIS HA H 53 4.872 4.972 -0.100 1
1 554 . 13 1 1 A 53 53 HIS C C 53 173.260 174.797 -1.537 1
1 555 . 13 1 1 A 53 53 HIS CA C 53 54.036 53.680 0.356 1
1 556 . 13 1 1 A 53 53 HIS CB C 53 29.841 32.893 -3.052 1
1 559 . 13 1 1 A 53 53 HIS N N 53 121.522 117.457 4.065 1
1 562 . 13 1 1 A 54 54 PRO HA H 54 4.547 4.240 0.307 1
1 569 . 13 1 1 A 54 54 PRO C C 54 176.605 176.900 -0.295 1
1 570 . 13 1 1 A 54 54 PRO CA C 54 62.997 64.900 -1.903 1
1 571 . 13 1 1 A 54 54 PRO CB C 54 32.349 31.889 0.460 1
1 574 . 13 1 1 A 55 55 ASN H H 55 8.646 8.160 0.486 1
1 575 . 13 1 1 A 55 55 ASN HA H 55 4.969 4.406 0.563 1
1 580 . 13 1 1 A 55 55 ASN C C 55 171.312 176.013 -4.701 1
1 581 . 13 1 1 A 55 55 ASN CA C 55 50.412 53.603 -3.191 1
1 582 . 13 1 1 A 55 55 ASN CB C 55 39.150 37.018 2.132 1
1 583 . 13 1 1 A 55 55 ASN N N 55 119.583 114.068 5.515 1
1 585 . 13 1 1 A 56 56 PRO HA H 56 4.400 4.417 -0.017 1
1 592 . 13 1 1 A 56 56 PRO C C 56 176.686 176.444 0.242 1
1 593 . 13 1 1 A 56 56 PRO CA C 56 63.273 64.215 -0.942 1
1 594 . 13 1 1 A 56 56 PRO CB C 56 31.783 31.422 0.361 1
1 597 . 13 1 1 A 57 57 CYS H H 57 7.831 8.050 -0.219 1
1 598 . 13 1 1 A 57 57 CYS HA H 57 4.443 4.670 -0.227 1
1 601 . 13 1 1 A 57 57 CYS C C 57 173.881 172.145 1.736 1
1 602 . 13 1 1 A 57 57 CYS CA C 57 59.103 55.636 3.467 1
1 603 . 13 1 1 A 57 57 CYS CB C 57 32.909 42.885 -9.976 1
1 604 . 13 1 1 A 57 57 CYS N N 57 119.502 118.369 1.133 1
1 605 . 13 1 1 A 59 59 PRO HA H 59 4.385 4.274 0.111 1
1 612 . 13 1 1 A 59 59 PRO C C 59 177.996 177.202 0.794 1
1 613 . 13 1 1 A 59 59 PRO CA C 59 64.249 63.998 0.251 1
1 614 . 13 1 1 A 59 59 PRO CB C 59 31.776 31.469 0.307 1
1 617 . 13 1 1 A 60 60 GLY H H 60 8.761 8.858 -0.097 1
1 618 . 13 1 1 A 60 60 GLY HA2 H 60 4.302 3.812 0.490 1
1 619 . 13 1 1 A 60 60 GLY HA3 H 60 3.619 3.864 -0.245 1
1 620 . 13 1 1 A 60 60 GLY C C 60 173.861 173.014 0.847 1
1 621 . 13 1 1 A 60 60 GLY CA C 60 44.888 45.150 -0.262 1
1 622 . 13 1 1 A 60 60 GLY N N 60 112.485 112.571 -0.086 1
1 623 . 13 1 1 A 61 61 TYR H H 61 8.522 8.154 0.368 1
1 624 . 13 1 1 A 61 61 TYR HA H 61 5.083 5.202 -0.119 1
1 631 . 13 1 1 A 61 61 TYR C C 61 174.910 175.114 -0.204 1
1 632 . 13 1 1 A 61 61 TYR CA C 61 56.152 56.519 -0.367 1
1 633 . 13 1 1 A 61 61 TYR CB C 61 42.124 42.825 -0.701 1
1 638 . 13 1 1 A 61 61 TYR N N 61 118.801 119.483 -0.682 1
1 639 . 13 1 1 A 62 62 GLU H H 62 9.129 9.346 -0.217 1
1 640 . 13 1 1 A 62 62 GLU HA H 62 4.962 5.083 -0.121 1
1 645 . 13 1 1 A 62 62 GLU C C 62 173.115 173.710 -0.595 1
1 646 . 13 1 1 A 62 62 GLU CA C 62 53.654 53.716 -0.062 1
1 647 . 13 1 1 A 62 62 GLU CB C 62 31.928 32.735 -0.807 1
1 649 . 13 1 1 A 62 62 GLU N N 62 118.016 120.353 -2.337 1
1 650 . 13 1 1 A 63 63 PRO HA H 63 4.743 4.631 0.112 1
1 657 . 13 1 1 A 63 63 PRO C C 63 177.040 175.299 1.741 1
1 658 . 13 1 1 A 63 63 PRO CA C 63 63.759 62.601 1.158 1
1 659 . 13 1 1 A 63 63 PRO CB C 63 32.352 32.090 0.262 1
1 662 . 13 1 1 A 64 64 ASP H H 64 8.595 8.565 0.030 1
1 663 . 13 1 1 A 64 64 ASP HA H 64 4.679 4.972 -0.293 1
1 666 . 13 1 1 A 64 64 ASP C C 64 175.960 174.411 1.549 1
1 667 . 13 1 1 A 64 64 ASP CA C 64 53.790 52.939 0.851 1
1 668 . 13 1 1 A 64 64 ASP CB C 64 42.611 43.846 -1.235 1
1 669 . 13 1 1 A 64 64 ASP N N 64 122.807 122.254 0.553 1
1 670 . 13 1 1 A 65 65 ASP H H 65 8.437 8.687 -0.250 1
1 671 . 13 1 1 A 65 65 ASP HA H 65 4.701 5.212 -0.511 1
1 674 . 13 1 1 A 65 65 ASP C C 65 176.412 175.073 1.339 1
1 675 . 13 1 1 A 65 65 ASP CA C 65 54.043 53.276 0.767 1
1 676 . 13 1 1 A 65 65 ASP CB C 65 41.279 41.791 -0.512 1
1 677 . 13 1 1 A 65 65 ASP N N 65 124.473 125.194 -0.721 1
1 678 . 13 1 1 A 66 66 GLN H H 66 8.316 8.595 -0.279 1
1 679 . 13 1 1 A 66 66 GLN HA H 66 4.290 4.867 -0.577 1
1 686 . 13 1 1 A 66 66 GLN C C 66 175.877 174.597 1.280 1
1 687 . 13 1 1 A 66 66 GLN CA C 66 55.992 54.117 1.875 1
1 688 . 13 1 1 A 66 66 GLN CB C 66 29.565 31.816 -2.251 1
1 690 . 13 1 1 A 66 66 GLN N N 66 120.317 123.713 -3.396 1
1 692 . 13 1 1 A 67 67 ASP H H 67 8.438 8.809 -0.371 1
1 693 . 13 1 1 A 67 67 ASP HA H 67 4.619 4.183 0.436 1
1 696 . 13 1 1 A 67 67 ASP C C 67 176.300 174.888 1.412 1
1 697 . 13 1 1 A 67 67 ASP CA C 67 54.535 55.040 -0.505 1
1 698 . 13 1 1 A 67 67 ASP CB C 67 41.210 39.042 2.168 1
1 699 . 13 1 1 A 67 67 ASP N N 67 121.942 118.187 3.755 1
1 700 . 13 1 1 A 68 68 SER H H 68 8.274 7.828 0.446 1
1 701 . 13 1 1 A 68 68 SER HA H 68 4.476 4.389 0.087 1
1 704 . 13 1 1 A 68 68 SER C C 68 174.516 174.825 -0.309 1
1 705 . 13 1 1 A 68 68 SER CA C 68 58.615 57.401 1.214 1
1 706 . 13 1 1 A 68 68 SER CB C 68 63.911 61.309 2.602 1
1 707 . 13 1 1 A 68 68 SER N N 68 116.099 113.219 2.880 1
1 708 . 13 1 1 A 69 69 CYS H H 69 8.589 8.669 -0.080 1
1 709 . 13 1 1 A 69 69 CYS HA H 69 4.719 4.893 -0.174 1
1 712 . 13 1 1 A 69 69 CYS C C 69 174.437 173.253 1.184 1
1 713 . 13 1 1 A 69 69 CYS CA C 69 55.620 55.421 0.199 1
1 714 . 13 1 1 A 69 69 CYS CB C 69 40.727 42.748 -2.021 1
1 715 . 13 1 1 A 69 69 CYS N N 69 120.951 124.820 -3.869 1
1 716 . 13 1 1 A 70 70 VAL H H 70 8.150 7.514 0.636 1
1 717 . 13 1 1 A 70 70 VAL HA H 70 4.193 4.063 0.130 1
1 725 . 13 1 1 A 70 70 VAL C C 70 174.771 174.913 -0.142 1
1 726 . 13 1 1 A 70 70 VAL CA C 70 62.021 61.764 0.257 1
1 727 . 13 1 1 A 70 70 VAL CB C 70 33.168 31.234 1.934 1
1 730 . 13 1 1 A 70 70 VAL N N 70 120.979 120.561 0.418 1
1 2 . 14 1 1 A 2 2 ASP H H 2 8.270 8.509 -0.239 1
1 3 . 14 1 1 A 2 2 ASP HA H 2 4.706 4.533 0.173 1
1 6 . 14 1 1 A 2 2 ASP C C 2 176.240 175.396 0.844 1
1 7 . 14 1 1 A 2 2 ASP CA C 2 54.448 52.307 2.141 1
1 8 . 14 1 1 A 2 2 ASP CB C 2 41.396 42.739 -1.343 1
1 9 . 14 1 1 A 2 2 ASP N N 2 116.604 125.170 -8.566 1
1 10 . 14 1 1 A 3 3 VAL H H 3 8.197 8.277 -0.080 1
1 11 . 14 1 1 A 3 3 VAL HA H 3 4.090 4.211 -0.121 1
1 19 . 14 1 1 A 3 3 VAL C C 3 175.880 174.740 1.140 1
1 20 . 14 1 1 A 3 3 VAL CA C 3 62.509 63.110 -0.601 1
1 21 . 14 1 1 A 3 3 VAL CB C 3 32.701 31.669 1.032 1
1 24 . 14 1 1 A 3 3 VAL N N 3 119.871 122.168 -2.297 1
1 25 . 14 1 1 A 4 4 ASN H H 4 8.502 9.037 -0.535 1
1 26 . 14 1 1 A 4 4 ASN HA H 4 4.700 5.225 -0.525 1
1 31 . 14 1 1 A 4 4 ASN C C 4 175.378 174.044 1.334 1
1 32 . 14 1 1 A 4 4 ASN CA C 4 53.427 51.987 1.440 1
1 33 . 14 1 1 A 4 4 ASN CB C 4 39.212 42.845 -3.633 1
1 34 . 14 1 1 A 4 4 ASN N N 4 121.932 126.219 -4.287 1
1 36 . 14 1 1 A 5 5 GLU H H 5 8.453 8.506 -0.053 1
1 37 . 14 1 1 A 5 5 GLU HA H 5 4.281 4.560 -0.279 1
1 42 . 14 1 1 A 5 5 GLU C C 5 176.502 176.154 0.348 1
1 43 . 14 1 1 A 5 5 GLU CA C 5 56.925 55.198 1.727 1
1 44 . 14 1 1 A 5 5 GLU CB C 5 30.226 30.566 -0.340 1
1 46 . 14 1 1 A 5 5 GLU N N 5 122.108 119.547 2.561 1
1 47 . 14 1 1 A 6 6 CYS H H 6 8.519 8.637 -0.118 1
1 48 . 14 1 1 A 6 6 CYS HA H 6 4.605 4.559 0.046 1
1 51 . 14 1 1 A 6 6 CYS C C 6 174.876 173.985 0.891 1
1 52 . 14 1 1 A 6 6 CYS CA C 6 56.068 55.585 0.483 1
1 53 . 14 1 1 A 6 6 CYS CB C 6 40.544 40.977 -0.433 1
1 54 . 14 1 1 A 6 6 CYS N N 6 119.657 121.022 -1.365 1
1 55 . 14 1 1 A 7 7 LEU H H 7 8.372 8.120 0.252 1
1 56 . 14 1 1 A 7 7 LEU HA H 7 4.361 4.683 -0.322 1
1 66 . 14 1 1 A 7 7 LEU C C 7 177.534 176.771 0.763 1
1 67 . 14 1 1 A 7 7 LEU CA C 7 55.778 53.915 1.863 1
1 68 . 14 1 1 A 7 7 LEU CB C 7 42.554 42.357 0.197 1
1 72 . 14 1 1 A 7 7 LEU N N 7 123.198 121.915 1.283 1
1 73 . 14 1 1 A 8 8 THR H H 8 8.018 7.535 0.483 1
1 74 . 14 1 1 A 8 8 THR HA H 8 4.332 4.333 -0.001 1
1 79 . 14 1 1 A 8 8 THR C C 8 174.296 174.462 -0.166 1
1 80 . 14 1 1 A 8 8 THR CA C 8 61.745 61.669 0.076 1
1 81 . 14 1 1 A 8 8 THR CB C 8 69.529 70.082 -0.553 1
1 83 . 14 1 1 A 8 8 THR N N 8 113.232 115.355 -2.123 1
1 84 . 14 1 1 A 9 9 ILE H H 9 7.827 8.522 -0.695 1
1 85 . 14 1 1 A 9 9 ILE HA H 9 4.472 4.379 0.093 1
1 95 . 14 1 1 A 9 9 ILE C C 9 174.443 174.916 -0.473 1
1 96 . 14 1 1 A 9 9 ILE CA C 9 58.355 59.756 -1.401 1
1 97 . 14 1 1 A 9 9 ILE CB C 9 38.496 38.256 0.240 1
1 101 . 14 1 1 A 9 9 ILE N N 9 123.285 124.940 -1.655 1
1 102 . 14 1 1 A 10 10 PRO HA H 10 4.351 4.579 -0.228 1
1 109 . 14 1 1 A 10 10 PRO C C 10 177.207 176.596 0.611 1
1 110 . 14 1 1 A 10 10 PRO CA C 10 63.599 62.250 1.349 1
1 111 . 14 1 1 A 10 10 PRO CB C 10 31.965 29.618 2.347 1
1 114 . 14 1 1 A 11 11 GLU H H 11 8.555 8.749 -0.194 1
1 115 . 14 1 1 A 11 11 GLU HA H 11 4.053 4.124 -0.071 1
1 120 . 14 1 1 A 11 11 GLU C C 11 176.353 176.668 -0.315 1
1 121 . 14 1 1 A 11 11 GLU CA C 11 56.955 58.078 -1.123 1
1 122 . 14 1 1 A 11 11 GLU CB C 11 29.589 31.221 -1.632 1
1 124 . 14 1 1 A 11 11 GLU N N 11 120.562 121.973 -1.411 1
1 125 . 14 1 1 A 12 12 ALA H H 12 8.089 7.692 0.397 1
1 126 . 14 1 1 A 12 12 ALA HA H 12 4.233 4.992 -0.759 1
1 130 . 14 1 1 A 12 12 ALA C C 12 178.135 176.515 1.620 1
1 131 . 14 1 1 A 12 12 ALA CA C 12 53.092 51.309 1.783 1
1 132 . 14 1 1 A 12 12 ALA CB C 12 19.570 21.377 -1.807 1
1 133 . 14 1 1 A 12 12 ALA N N 12 123.927 120.435 3.492 1
1 134 . 14 1 1 A 13 13 CYS H H 13 8.725 8.763 -0.038 1
1 135 . 14 1 1 A 13 13 CYS HA H 13 4.816 5.255 -0.439 1
1 138 . 14 1 1 A 13 13 CYS C C 13 175.490 173.226 2.264 1
1 139 . 14 1 1 A 13 13 CYS CA C 13 52.752 54.705 -1.953 1
1 140 . 14 1 1 A 13 13 CYS CB C 13 36.168 43.458 -7.290 1
1 141 . 14 1 1 A 13 13 CYS N N 13 114.120 118.321 -4.201 1
1 142 . 14 1 1 A 14 14 LYS H H 14 8.246 8.696 -0.450 1
1 143 . 14 1 1 A 14 14 LYS HA H 14 4.027 4.047 -0.020 1
1 152 . 14 1 1 A 14 14 LYS C C 14 177.863 177.517 0.346 1
1 153 . 14 1 1 A 14 14 LYS CA C 14 58.289 58.046 0.243 1
1 154 . 14 1 1 A 14 14 LYS CB C 14 31.489 32.405 -0.916 1
1 158 . 14 1 1 A 14 14 LYS N N 14 121.767 126.400 -4.633 1
1 159 . 14 1 1 A 15 15 GLY H H 15 8.979 8.803 0.176 1
1 160 . 14 1 1 A 15 15 GLY HA2 H 15 4.161 3.934 0.227 1
1 161 . 14 1 1 A 15 15 GLY HA3 H 15 3.765 3.935 -0.170 1
1 162 . 14 1 1 A 15 15 GLY C C 15 173.903 173.492 0.411 1
1 163 . 14 1 1 A 15 15 GLY CA C 15 45.603 45.471 0.132 1
1 164 . 14 1 1 A 15 15 GLY N N 15 113.508 114.494 -0.986 1
1 165 . 14 1 1 A 16 16 GLU H H 16 8.027 7.636 0.391 1
1 166 . 14 1 1 A 16 16 GLU HA H 16 4.555 4.855 -0.300 1
1 171 . 14 1 1 A 16 16 GLU C C 16 174.310 175.469 -1.159 1
1 172 . 14 1 1 A 16 16 GLU CA C 16 55.213 54.388 0.825 1
1 173 . 14 1 1 A 16 16 GLU CB C 16 31.839 33.035 -1.196 1
1 175 . 14 1 1 A 16 16 GLU N N 16 120.692 119.529 1.163 1
1 176 . 14 1 1 A 17 17 MET H H 17 8.943 8.816 0.127 1
1 177 . 14 1 1 A 17 17 MET HA H 17 4.584 4.990 -0.406 1
1 185 . 14 1 1 A 17 17 MET C C 17 173.801 175.251 -1.450 1
1 186 . 14 1 1 A 17 17 MET CA C 17 55.183 54.266 0.917 1
1 187 . 14 1 1 A 17 17 MET CB C 17 34.221 33.017 1.204 1
1 190 . 14 1 1 A 17 17 MET N N 17 120.713 120.297 0.416 1
1 191 . 14 1 1 A 18 18 LYS H H 18 8.789 8.609 0.180 1
1 192 . 14 1 1 A 18 18 LYS HA H 18 5.083 4.560 0.523 1
1 201 . 14 1 1 A 18 18 LYS C C 18 175.138 174.708 0.430 1
1 202 . 14 1 1 A 18 18 LYS CA C 18 55.726 55.616 0.110 1
1 203 . 14 1 1 A 18 18 LYS CB C 18 35.053 33.416 1.637 1
1 207 . 14 1 1 A 18 18 LYS N N 18 127.261 124.532 2.729 1
1 208 . 14 1 1 A 19 19 CYS H H 19 9.132 9.034 0.098 1
1 209 . 14 1 1 A 19 19 CYS HA H 19 5.273 5.330 -0.057 1
1 212 . 14 1 1 A 19 19 CYS C C 19 174.193 173.059 1.134 1
1 213 . 14 1 1 A 19 19 CYS CA C 19 54.753 54.529 0.224 1
1 214 . 14 1 1 A 19 19 CYS CB C 19 43.915 43.879 0.036 1
1 215 . 14 1 1 A 19 19 CYS N N 19 126.193 125.179 1.014 1
1 216 . 14 1 1 A 20 20 ILE H H 20 10.001 9.011 0.990 1
1 217 . 14 1 1 A 20 20 ILE HA H 20 5.483 5.746 -0.263 1
1 227 . 14 1 1 A 20 20 ILE C C 20 176.355 175.396 0.959 1
1 228 . 14 1 1 A 20 20 ILE CA C 20 59.977 58.873 1.104 1
1 229 . 14 1 1 A 20 20 ILE CB C 20 42.458 42.188 0.270 1
1 233 . 14 1 1 A 20 20 ILE N N 20 119.415 120.070 -0.655 1
1 234 . 14 1 1 A 21 21 ASN H H 21 8.092 7.946 0.146 1
1 235 . 14 1 1 A 21 21 ASN HA H 21 4.906 4.717 0.189 1
1 240 . 14 1 1 A 21 21 ASN CA C 21 50.729 50.788 -0.059 1
1 241 . 14 1 1 A 21 21 ASN CB C 21 38.492 39.572 -1.080 1
1 245 . 14 1 1 A 22 22 HIS C C 22 174.724 176.688 -1.964 1
1 250 . 14 1 1 A 23 23 TYR H H 23 7.932 7.614 0.318 1
1 251 . 14 1 1 A 23 23 TYR HA H 23 4.785 4.503 0.282 1
1 258 . 14 1 1 A 23 23 TYR C C 23 176.186 175.702 0.484 1
1 259 . 14 1 1 A 23 23 TYR CA C 23 56.891 58.134 -1.243 1
1 260 . 14 1 1 A 23 23 TYR CB C 23 38.509 38.748 -0.239 1
1 265 . 14 1 1 A 23 23 TYR N N 23 117.160 117.590 -0.430 1
1 266 . 14 1 1 A 24 24 GLY HA2 H 24 4.411 4.083 0.328 1
1 267 . 14 1 1 A 24 24 GLY HA3 H 24 3.674 4.098 -0.424 1
1 268 . 14 1 1 A 24 24 GLY C C 24 174.895 175.016 -0.121 1
1 269 . 14 1 1 A 24 24 GLY CA C 24 45.377 45.115 0.262 1
1 270 . 14 1 1 A 25 25 GLY H H 25 8.418 8.175 0.243 1
1 271 . 14 1 1 A 25 25 GLY HA2 H 25 4.461 4.026 0.435 1
1 272 . 14 1 1 A 25 25 GLY HA3 H 25 3.737 4.056 -0.319 1
1 273 . 14 1 1 A 25 25 GLY C C 25 172.832 172.106 0.726 1
1 274 . 14 1 1 A 25 25 GLY CA C 25 44.602 45.935 -1.333 1
1 275 . 14 1 1 A 25 25 GLY N N 25 110.337 108.364 1.973 1
1 276 . 14 1 1 A 26 26 TYR H H 26 8.256 8.815 -0.559 1
1 277 . 14 1 1 A 26 26 TYR HA H 26 6.053 5.320 0.733 1
1 284 . 14 1 1 A 26 26 TYR C C 26 173.625 174.268 -0.643 1
1 285 . 14 1 1 A 26 26 TYR CA C 26 55.921 56.351 -0.430 1
1 286 . 14 1 1 A 26 26 TYR CB C 26 42.690 41.468 1.222 1
1 291 . 14 1 1 A 26 26 TYR N N 26 116.601 125.254 -8.653 1
1 292 . 14 1 1 A 27 27 LEU H H 27 9.227 8.616 0.611 1
1 293 . 14 1 1 A 27 27 LEU HA H 27 4.437 4.730 -0.293 1
1 303 . 14 1 1 A 27 27 LEU C C 27 175.019 175.470 -0.451 1
1 304 . 14 1 1 A 27 27 LEU CA C 27 53.999 53.130 0.869 1
1 305 . 14 1 1 A 27 27 LEU CB C 27 46.334 45.480 0.854 1
1 309 . 14 1 1 A 27 27 LEU N N 27 121.005 127.484 -6.479 1
1 310 . 14 1 1 A 28 28 CYS H H 28 8.801 8.741 0.060 1
1 311 . 14 1 1 A 28 28 CYS HA H 28 5.730 5.470 0.260 1
1 314 . 14 1 1 A 28 28 CYS C C 28 174.452 172.676 1.776 1
1 315 . 14 1 1 A 28 28 CYS CA C 28 51.978 54.615 -2.637 1
1 316 . 14 1 1 A 28 28 CYS CB C 28 37.734 44.022 -6.288 1
1 317 . 14 1 1 A 28 28 CYS N N 28 120.613 120.912 -0.299 1
1 318 . 14 1 1 A 29 29 LEU H H 29 9.371 8.726 0.645 1
1 319 . 14 1 1 A 29 29 LEU HA H 29 4.891 4.704 0.187 1
1 329 . 14 1 1 A 29 29 LEU C C 29 173.339 174.636 -1.297 1
1 330 . 14 1 1 A 29 29 LEU CA C 29 51.743 52.411 -0.668 1
1 331 . 14 1 1 A 29 29 LEU CB C 29 44.633 41.877 2.756 1
1 335 . 14 1 1 A 29 29 LEU N N 29 127.550 126.666 0.884 1
1 336 . 14 1 1 A 30 30 PRO HA H 30 4.478 4.530 -0.052 1
1 343 . 14 1 1 A 30 30 PRO C C 30 177.206 177.101 0.105 1
1 344 . 14 1 1 A 30 30 PRO CA C 30 62.730 62.852 -0.122 1
1 345 . 14 1 1 A 30 30 PRO CB C 30 31.984 32.525 -0.541 1
1 348 . 14 1 1 A 31 31 ARG H H 31 8.856 8.957 -0.101 1
1 349 . 14 1 1 A 31 31 ARG HA H 31 4.189 4.235 -0.046 1
1 357 . 14 1 1 A 31 31 ARG C C 31 176.891 177.903 -1.012 1
1 358 . 14 1 1 A 31 31 ARG CA C 31 56.964 57.059 -0.095 1
1 359 . 14 1 1 A 31 31 ARG CB C 31 30.633 30.145 0.488 1
1 362 . 14 1 1 A 31 31 ARG N N 31 121.660 124.198 -2.538 1
1 364 . 14 1 1 A 32 32 SER H H 32 8.318 7.934 0.384 1
1 365 . 14 1 1 A 32 32 SER HA H 32 4.389 4.239 0.150 1
1 368 . 14 1 1 A 32 32 SER C C 32 174.251 175.338 -1.087 1
1 369 . 14 1 1 A 32 32 SER CA C 32 58.238 61.660 -3.422 1
1 370 . 14 1 1 A 32 32 SER CB C 32 63.821 63.022 0.799 1
1 371 . 14 1 1 A 32 32 SER N N 32 116.432 115.130 1.302 1
1 372 . 14 1 1 A 33 33 ALA H H 33 8.353 7.589 0.764 1
1 373 . 14 1 1 A 33 33 ALA HA H 33 4.307 4.346 -0.039 1
1 377 . 14 1 1 A 33 33 ALA C C 33 177.290 177.249 0.041 1
1 378 . 14 1 1 A 33 33 ALA CA C 33 52.515 51.886 0.629 1
1 379 . 14 1 1 A 33 33 ALA CB C 33 19.358 20.146 -0.788 1
1 380 . 14 1 1 A 33 33 ALA N N 33 126.203 122.221 3.982 1
1 381 . 14 1 1 A 34 34 ALA H H 34 8.178 8.618 -0.440 1
1 382 . 14 1 1 A 34 34 ALA HA H 34 4.280 4.818 -0.538 1
1 386 . 14 1 1 A 34 34 ALA C C 34 177.519 178.150 -0.631 1
1 387 . 14 1 1 A 34 34 ALA CA C 34 52.480 50.537 1.943 1
1 388 . 14 1 1 A 34 34 ALA CB C 34 19.250 20.368 -1.118 1
1 389 . 14 1 1 A 34 34 ALA N N 34 123.091 123.309 -0.218 1
1 390 . 14 1 1 A 35 35 VAL H H 35 8.083 8.615 -0.532 1
1 391 . 14 1 1 A 35 35 VAL HA H 35 4.060 4.090 -0.030 1
1 399 . 14 1 1 A 35 35 VAL C C 35 176.050 176.506 -0.456 1
1 400 . 14 1 1 A 35 35 VAL CA C 35 62.297 61.609 0.688 1
1 401 . 14 1 1 A 35 35 VAL CB C 35 32.695 30.905 1.790 1
1 404 . 14 1 1 A 35 35 VAL N N 35 120.060 119.359 0.701 1
1 405 . 14 1 1 A 36 36 ILE H H 36 8.264 8.289 -0.025 1
1 406 . 14 1 1 A 36 36 ILE HA H 36 4.141 4.445 -0.304 1
1 416 . 14 1 1 A 36 36 ILE C C 36 175.848 175.294 0.554 1
1 417 . 14 1 1 A 36 36 ILE CA C 36 60.924 60.505 0.419 1
1 418 . 14 1 1 A 36 36 ILE CB C 36 38.614 39.572 -0.958 1
1 422 . 14 1 1 A 36 36 ILE N N 36 125.147 119.450 5.697 1
1 423 . 14 1 1 A 37 37 ASN H H 37 8.501 7.849 0.652 1
1 424 . 14 1 1 A 37 37 ASN HA H 37 4.702 5.375 -0.673 1
1 429 . 14 1 1 A 37 37 ASN C C 37 174.609 173.657 0.952 1
1 430 . 14 1 1 A 37 37 ASN CA C 37 53.143 51.160 1.983 1
1 431 . 14 1 1 A 37 37 ASN CB C 37 38.957 41.681 -2.724 1
1 432 . 14 1 1 A 37 37 ASN N N 37 123.292 118.974 4.318 1
1 434 . 14 1 1 A 38 38 ASP H H 38 8.326 8.548 -0.222 1
1 435 . 14 1 1 A 38 38 ASP HA H 38 4.562 5.159 -0.597 1
1 438 . 14 1 1 A 38 38 ASP C C 38 176.188 175.576 0.612 1
1 439 . 14 1 1 A 38 38 ASP CA C 38 54.218 53.495 0.723 1
1 440 . 14 1 1 A 38 38 ASP CB C 38 41.133 41.954 -0.821 1
1 441 . 14 1 1 A 38 38 ASP N N 38 121.317 121.945 -0.628 1
1 442 . 14 1 1 A 39 39 LEU H H 39 8.188 8.674 -0.486 1
1 443 . 14 1 1 A 39 39 LEU HA H 39 4.242 5.205 -0.963 1
1 453 . 14 1 1 A 39 39 LEU C C 39 177.515 175.298 2.217 1
1 454 . 14 1 1 A 39 39 LEU CA C 39 55.501 52.880 2.621 1
1 455 . 14 1 1 A 39 39 LEU CB C 39 42.030 45.877 -3.847 1
1 459 . 14 1 1 A 39 39 LEU N N 39 122.367 120.585 1.782 1
1 460 . 14 1 1 A 40 40 HIS H H 40 8.418 8.846 -0.428 1
1 461 . 14 1 1 A 40 40 HIS HA H 40 4.636 5.067 -0.431 1
1 466 . 14 1 1 A 40 40 HIS C C 40 175.495 175.331 0.164 1
1 467 . 14 1 1 A 40 40 HIS CA C 40 55.920 54.632 1.288 1
1 468 . 14 1 1 A 40 40 HIS CB C 40 29.633 34.398 -4.765 1
1 471 . 14 1 1 A 40 40 HIS N N 40 118.989 117.666 1.323 1
1 474 . 14 1 1 A 41 41 GLY H H 41 8.258 8.717 -0.459 1
1 475 . 14 1 1 A 41 41 GLY HA2 H 41 3.969 4.039 -0.070 1
1 476 . 14 1 1 A 41 41 GLY HA3 H 41 3.952 4.043 -0.091 1
1 477 . 14 1 1 A 41 41 GLY C C 41 174.007 173.713 0.294 1
1 478 . 14 1 1 A 41 41 GLY CA C 41 45.363 44.693 0.670 1
1 479 . 14 1 1 A 41 41 GLY N N 41 109.714 108.296 1.418 1
1 480 . 14 1 1 A 42 42 GLU H H 42 8.406 8.378 0.028 1
1 481 . 14 1 1 A 42 42 GLU HA H 42 4.378 4.681 -0.303 1
1 486 . 14 1 1 A 42 42 GLU C C 42 176.668 176.736 -0.068 1
1 487 . 14 1 1 A 42 42 GLU CA C 42 56.278 55.310 0.968 1
1 488 . 14 1 1 A 42 42 GLU CB C 42 30.473 32.299 -1.826 1
1 490 . 14 1 1 A 42 42 GLU N N 42 120.561 121.384 -0.823 1
1 491 . 14 1 1 A 43 43 GLY H H 43 8.284 8.498 -0.214 1
1 492 . 14 1 1 A 43 43 GLY HA2 H 43 4.100 4.044 0.056 1
1 493 . 14 1 1 A 43 43 GLY HA3 H 43 4.099 4.046 0.053 1
1 494 . 14 1 1 A 43 43 GLY C C 43 171.027 173.360 -2.333 1
1 495 . 14 1 1 A 43 43 GLY CA C 43 44.399 44.453 -0.054 1
1 496 . 14 1 1 A 43 43 GLY N N 43 110.014 109.224 0.790 1
1 498 . 14 1 1 A 47 47 PRO C C 47 176.172 175.568 0.604 1
1 499 . 14 1 1 A 47 47 PRO CB C 47 32.134 29.013 3.121 1
1 500 . 14 1 1 A 48 48 VAL H H 48 8.585 8.552 0.033 1
1 501 . 14 1 1 A 48 48 VAL HA H 48 4.438 4.528 -0.090 1
1 508 . 14 1 1 A 48 48 VAL C C 48 174.309 174.155 0.154 1
1 509 . 14 1 1 A 48 48 VAL CA C 48 59.190 58.593 0.597 1
1 512 . 14 1 1 A 48 48 VAL N N 48 125.965 122.991 2.974 1
1 513 . 14 1 1 A 50 50 PRO HA H 50 4.353 4.168 0.185 1
1 520 . 14 1 1 A 50 50 PRO C C 50 176.824 177.372 -0.548 1
1 521 . 14 1 1 A 50 50 PRO CA C 50 63.194 65.419 -2.225 1
1 522 . 14 1 1 A 50 50 PRO CB C 50 32.006 31.789 0.217 1
1 525 . 14 1 1 A 51 51 ALA H H 51 8.301 8.166 0.135 1
1 526 . 14 1 1 A 51 51 ALA HA H 51 4.241 4.379 -0.138 1
1 530 . 14 1 1 A 51 51 ALA C C 51 177.617 176.322 1.295 1
1 531 . 14 1 1 A 51 51 ALA CA C 51 52.717 51.105 1.612 1
1 532 . 14 1 1 A 51 51 ALA CB C 51 19.211 17.368 1.843 1
1 533 . 14 1 1 A 51 51 ALA N N 51 122.996 119.312 3.684 1
1 534 . 14 1 1 A 52 52 GLN H H 52 8.165 8.383 -0.218 1
1 535 . 14 1 1 A 52 52 GLN HA H 52 4.266 5.140 -0.874 1
1 542 . 14 1 1 A 52 52 GLN C C 52 175.394 174.202 1.192 1
1 543 . 14 1 1 A 52 52 GLN CA C 52 55.582 53.927 1.655 1
1 544 . 14 1 1 A 52 52 GLN CB C 52 29.636 32.439 -2.803 1
1 546 . 14 1 1 A 52 52 GLN N N 52 118.178 121.650 -3.472 1
1 548 . 14 1 1 A 53 53 HIS H H 53 8.395 8.684 -0.289 1
1 549 . 14 1 1 A 53 53 HIS HA H 53 4.872 4.868 0.004 1
1 554 . 14 1 1 A 53 53 HIS C C 53 173.260 175.133 -1.873 1
1 555 . 14 1 1 A 53 53 HIS CA C 53 54.036 54.064 -0.028 1
1 556 . 14 1 1 A 53 53 HIS CB C 53 29.841 31.019 -1.178 1
1 559 . 14 1 1 A 53 53 HIS N N 53 121.522 120.261 1.261 1
1 562 . 14 1 1 A 54 54 PRO HA H 54 4.547 4.313 0.234 1
1 569 . 14 1 1 A 54 54 PRO C C 54 176.605 176.854 -0.249 1
1 570 . 14 1 1 A 54 54 PRO CA C 54 62.997 65.215 -2.218 1
1 571 . 14 1 1 A 54 54 PRO CB C 54 32.349 31.822 0.527 1
1 574 . 14 1 1 A 55 55 ASN H H 55 8.646 8.127 0.519 1
1 575 . 14 1 1 A 55 55 ASN HA H 55 4.969 4.390 0.579 1
1 580 . 14 1 1 A 55 55 ASN C C 55 171.312 175.737 -4.425 1
1 581 . 14 1 1 A 55 55 ASN CA C 55 50.412 53.574 -3.162 1
1 582 . 14 1 1 A 55 55 ASN CB C 55 39.150 36.955 2.195 1
1 583 . 14 1 1 A 55 55 ASN N N 55 119.583 113.970 5.613 1
1 585 . 14 1 1 A 56 56 PRO HA H 56 4.400 4.431 -0.031 1
1 592 . 14 1 1 A 56 56 PRO C C 56 176.686 176.325 0.361 1
1 593 . 14 1 1 A 56 56 PRO CA C 56 63.273 64.291 -1.018 1
1 594 . 14 1 1 A 56 56 PRO CB C 56 31.783 31.359 0.424 1
1 597 . 14 1 1 A 57 57 CYS H H 57 7.831 8.023 -0.192 1
1 598 . 14 1 1 A 57 57 CYS HA H 57 4.443 4.709 -0.266 1
1 601 . 14 1 1 A 57 57 CYS C C 57 173.881 172.143 1.738 1
1 602 . 14 1 1 A 57 57 CYS CA C 57 59.103 55.685 3.418 1
1 603 . 14 1 1 A 57 57 CYS CB C 57 32.909 42.430 -9.521 1
1 604 . 14 1 1 A 57 57 CYS N N 57 119.502 117.877 1.625 1
1 605 . 14 1 1 A 59 59 PRO HA H 59 4.385 4.299 0.086 1
1 612 . 14 1 1 A 59 59 PRO C C 59 177.996 177.436 0.560 1
1 613 . 14 1 1 A 59 59 PRO CA C 59 64.249 64.015 0.234 1
1 614 . 14 1 1 A 59 59 PRO CB C 59 31.776 31.471 0.305 1
1 617 . 14 1 1 A 60 60 GLY H H 60 8.761 8.904 -0.143 1
1 618 . 14 1 1 A 60 60 GLY HA2 H 60 4.302 3.942 0.360 1
1 619 . 14 1 1 A 60 60 GLY HA3 H 60 3.619 3.948 -0.329 1
1 620 . 14 1 1 A 60 60 GLY C C 60 173.861 173.287 0.574 1
1 621 . 14 1 1 A 60 60 GLY CA C 60 44.888 45.245 -0.357 1
1 622 . 14 1 1 A 60 60 GLY N N 60 112.485 112.878 -0.393 1
1 623 . 14 1 1 A 61 61 TYR H H 61 8.522 8.094 0.428 1
1 624 . 14 1 1 A 61 61 TYR HA H 61 5.083 4.919 0.164 1
1 631 . 14 1 1 A 61 61 TYR C C 61 174.910 175.296 -0.386 1
1 632 . 14 1 1 A 61 61 TYR CA C 61 56.152 57.349 -1.197 1
1 633 . 14 1 1 A 61 61 TYR CB C 61 42.124 41.584 0.540 1
1 638 . 14 1 1 A 61 61 TYR N N 61 118.801 119.808 -1.007 1
1 639 . 14 1 1 A 62 62 GLU H H 62 9.129 9.382 -0.253 1
1 640 . 14 1 1 A 62 62 GLU HA H 62 4.962 5.096 -0.134 1
1 645 . 14 1 1 A 62 62 GLU C C 62 173.115 174.099 -0.984 1
1 646 . 14 1 1 A 62 62 GLU CA C 62 53.654 53.972 -0.318 1
1 647 . 14 1 1 A 62 62 GLU CB C 62 31.928 32.443 -0.515 1
1 649 . 14 1 1 A 62 62 GLU N N 62 118.016 121.244 -3.228 1
1 650 . 14 1 1 A 63 63 PRO HA H 63 4.743 4.737 0.006 1
1 657 . 14 1 1 A 63 63 PRO C C 63 177.040 176.015 1.025 1
1 658 . 14 1 1 A 63 63 PRO CA C 63 63.759 62.751 1.008 1
1 659 . 14 1 1 A 63 63 PRO CB C 63 32.352 32.366 -0.014 1
1 662 . 14 1 1 A 64 64 ASP H H 64 8.595 8.712 -0.117 1
1 663 . 14 1 1 A 64 64 ASP HA H 64 4.679 4.865 -0.186 1
1 666 . 14 1 1 A 64 64 ASP C C 64 175.960 174.813 1.147 1
1 667 . 14 1 1 A 64 64 ASP CA C 64 53.790 53.551 0.239 1
1 668 . 14 1 1 A 64 64 ASP CB C 64 42.611 41.702 0.909 1
1 669 . 14 1 1 A 64 64 ASP N N 64 122.807 122.272 0.535 1
1 670 . 14 1 1 A 65 65 ASP H H 65 8.437 8.707 -0.270 1
1 671 . 14 1 1 A 65 65 ASP HA H 65 4.701 4.880 -0.179 1
1 674 . 14 1 1 A 65 65 ASP C C 65 176.412 175.114 1.298 1
1 675 . 14 1 1 A 65 65 ASP CA C 65 54.043 53.981 0.062 1
1 676 . 14 1 1 A 65 65 ASP CB C 65 41.279 41.427 -0.148 1
1 677 . 14 1 1 A 65 65 ASP N N 65 124.473 126.648 -2.175 1
1 678 . 14 1 1 A 66 66 GLN H H 66 8.316 8.152 0.164 1
1 679 . 14 1 1 A 66 66 GLN HA H 66 4.290 5.004 -0.714 1
1 686 . 14 1 1 A 66 66 GLN C C 66 175.877 176.050 -0.173 1
1 687 . 14 1 1 A 66 66 GLN CA C 66 55.992 54.914 1.078 1
1 688 . 14 1 1 A 66 66 GLN CB C 66 29.565 29.593 -0.028 1
1 690 . 14 1 1 A 66 66 GLN N N 66 120.317 124.595 -4.278 1
1 692 . 14 1 1 A 67 67 ASP H H 67 8.438 8.978 -0.540 1
1 693 . 14 1 1 A 67 67 ASP HA H 67 4.619 4.556 0.063 1
1 696 . 14 1 1 A 67 67 ASP C C 67 176.300 176.416 -0.116 1
1 697 . 14 1 1 A 67 67 ASP CA C 67 54.535 56.805 -2.270 1
1 698 . 14 1 1 A 67 67 ASP CB C 67 41.210 40.791 0.419 1
1 699 . 14 1 1 A 67 67 ASP N N 67 121.942 122.183 -0.241 1
1 700 . 14 1 1 A 68 68 SER H H 68 8.274 8.201 0.073 1
1 701 . 14 1 1 A 68 68 SER HA H 68 4.476 4.519 -0.043 1
1 704 . 14 1 1 A 68 68 SER C C 68 174.516 174.029 0.487 1
1 705 . 14 1 1 A 68 68 SER CA C 68 58.615 57.939 0.676 1
1 706 . 14 1 1 A 68 68 SER CB C 68 63.911 60.708 3.203 1
1 707 . 14 1 1 A 68 68 SER N N 68 116.099 111.816 4.283 1
1 708 . 14 1 1 A 69 69 CYS H H 69 8.589 8.406 0.183 1
1 709 . 14 1 1 A 69 69 CYS HA H 69 4.719 4.821 -0.102 1
1 712 . 14 1 1 A 69 69 CYS C C 69 174.437 173.372 1.065 1
1 713 . 14 1 1 A 69 69 CYS CA C 69 55.620 57.428 -1.808 1
1 714 . 14 1 1 A 69 69 CYS CB C 69 40.727 45.509 -4.782 1
1 715 . 14 1 1 A 69 69 CYS N N 69 120.951 121.329 -0.378 1
1 716 . 14 1 1 A 70 70 VAL H H 70 8.150 7.795 0.355 1
1 717 . 14 1 1 A 70 70 VAL HA H 70 4.193 4.590 -0.397 1
1 725 . 14 1 1 A 70 70 VAL C C 70 174.771 173.337 1.434 1
1 726 . 14 1 1 A 70 70 VAL CA C 70 62.021 59.905 2.116 1
1 727 . 14 1 1 A 70 70 VAL CB C 70 33.168 35.421 -2.253 1
1 730 . 14 1 1 A 70 70 VAL N N 70 120.979 117.560 3.419 1
1 2 . 15 1 1 A 2 2 ASP H H 2 8.270 9.008 -0.738 1
1 3 . 15 1 1 A 2 2 ASP HA H 2 4.706 4.517 0.189 1
1 6 . 15 1 1 A 2 2 ASP C C 2 176.240 176.036 0.204 1
1 7 . 15 1 1 A 2 2 ASP CA C 2 54.448 56.248 -1.800 1
1 8 . 15 1 1 A 2 2 ASP CB C 2 41.396 40.192 1.204 1
1 9 . 15 1 1 A 2 2 ASP N N 2 116.604 122.717 -6.113 1
1 10 . 15 1 1 A 3 3 VAL H H 3 8.197 7.421 0.776 1
1 11 . 15 1 1 A 3 3 VAL HA H 3 4.090 4.035 0.055 1
1 19 . 15 1 1 A 3 3 VAL C C 3 175.880 175.187 0.693 1
1 20 . 15 1 1 A 3 3 VAL CA C 3 62.509 62.948 -0.439 1
1 21 . 15 1 1 A 3 3 VAL CB C 3 32.701 31.943 0.758 1
1 24 . 15 1 1 A 3 3 VAL N N 3 119.871 120.476 -0.605 1
1 25 . 15 1 1 A 4 4 ASN H H 4 8.502 8.617 -0.115 1
1 26 . 15 1 1 A 4 4 ASN HA H 4 4.700 5.122 -0.422 1
1 31 . 15 1 1 A 4 4 ASN C C 4 175.378 173.874 1.504 1
1 32 . 15 1 1 A 4 4 ASN CA C 4 53.427 52.583 0.844 1
1 33 . 15 1 1 A 4 4 ASN CB C 4 39.212 41.704 -2.492 1
1 34 . 15 1 1 A 4 4 ASN N N 4 121.932 127.119 -5.187 1
1 36 . 15 1 1 A 5 5 GLU H H 5 8.453 8.971 -0.518 1
1 37 . 15 1 1 A 5 5 GLU HA H 5 4.281 4.549 -0.268 1
1 42 . 15 1 1 A 5 5 GLU C C 5 176.502 177.926 -1.424 1
1 43 . 15 1 1 A 5 5 GLU CA C 5 56.925 54.883 2.042 1
1 44 . 15 1 1 A 5 5 GLU CB C 5 30.226 31.259 -1.033 1
1 46 . 15 1 1 A 5 5 GLU N N 5 122.108 124.044 -1.936 1
1 47 . 15 1 1 A 6 6 CYS H H 6 8.519 8.892 -0.373 1
1 48 . 15 1 1 A 6 6 CYS HA H 6 4.605 4.267 0.338 1
1 51 . 15 1 1 A 6 6 CYS C C 6 174.876 174.705 0.171 1
1 52 . 15 1 1 A 6 6 CYS CA C 6 56.068 58.550 -2.482 1
1 53 . 15 1 1 A 6 6 CYS CB C 6 40.544 42.052 -1.508 1
1 54 . 15 1 1 A 6 6 CYS N N 6 119.657 120.312 -0.655 1
1 55 . 15 1 1 A 7 7 LEU H H 7 8.372 7.753 0.619 1
1 56 . 15 1 1 A 7 7 LEU HA H 7 4.361 4.374 -0.013 1
1 66 . 15 1 1 A 7 7 LEU C C 7 177.534 176.578 0.956 1
1 67 . 15 1 1 A 7 7 LEU CA C 7 55.778 55.401 0.377 1
1 68 . 15 1 1 A 7 7 LEU CB C 7 42.554 41.032 1.522 1
1 72 . 15 1 1 A 7 7 LEU N N 7 123.198 115.335 7.863 1
1 73 . 15 1 1 A 8 8 THR H H 8 8.018 7.583 0.435 1
1 74 . 15 1 1 A 8 8 THR HA H 8 4.332 4.357 -0.025 1
1 79 . 15 1 1 A 8 8 THR C C 8 174.296 174.147 0.149 1
1 80 . 15 1 1 A 8 8 THR CA C 8 61.745 61.336 0.409 1
1 81 . 15 1 1 A 8 8 THR CB C 8 69.529 70.521 -0.992 1
1 83 . 15 1 1 A 8 8 THR N N 8 113.232 115.656 -2.424 1
1 84 . 15 1 1 A 9 9 ILE H H 9 7.827 8.506 -0.679 1
1 85 . 15 1 1 A 9 9 ILE HA H 9 4.472 4.580 -0.108 1
1 95 . 15 1 1 A 9 9 ILE C C 9 174.443 174.962 -0.519 1
1 96 . 15 1 1 A 9 9 ILE CA C 9 58.355 58.104 0.251 1
1 97 . 15 1 1 A 9 9 ILE CB C 9 38.496 37.668 0.828 1
1 101 . 15 1 1 A 9 9 ILE N N 9 123.285 125.198 -1.913 1
1 102 . 15 1 1 A 10 10 PRO HA H 10 4.351 4.622 -0.271 1
1 109 . 15 1 1 A 10 10 PRO C C 10 177.207 177.013 0.194 1
1 110 . 15 1 1 A 10 10 PRO CA C 10 63.599 62.210 1.389 1
1 111 . 15 1 1 A 10 10 PRO CB C 10 31.965 29.377 2.588 1
1 114 . 15 1 1 A 11 11 GLU H H 11 8.555 8.853 -0.298 1
1 115 . 15 1 1 A 11 11 GLU HA H 11 4.053 4.394 -0.341 1
1 120 . 15 1 1 A 11 11 GLU C C 11 176.353 176.280 0.073 1
1 121 . 15 1 1 A 11 11 GLU CA C 11 56.955 56.467 0.488 1
1 122 . 15 1 1 A 11 11 GLU CB C 11 29.589 30.180 -0.591 1
1 124 . 15 1 1 A 11 11 GLU N N 11 120.562 122.500 -1.938 1
1 125 . 15 1 1 A 12 12 ALA H H 12 8.089 7.551 0.538 1
1 126 . 15 1 1 A 12 12 ALA HA H 12 4.233 4.871 -0.638 1
1 130 . 15 1 1 A 12 12 ALA C C 12 178.135 175.984 2.151 1
1 131 . 15 1 1 A 12 12 ALA CA C 12 53.092 50.382 2.710 1
1 132 . 15 1 1 A 12 12 ALA CB C 12 19.570 22.338 -2.768 1
1 133 . 15 1 1 A 12 12 ALA N N 12 123.927 120.921 3.006 1
1 134 . 15 1 1 A 13 13 CYS H H 13 8.725 8.635 0.090 1
1 135 . 15 1 1 A 13 13 CYS HA H 13 4.816 5.219 -0.403 1
1 138 . 15 1 1 A 13 13 CYS C C 13 175.490 173.114 2.376 1
1 139 . 15 1 1 A 13 13 CYS CA C 13 52.752 54.589 -1.837 1
1 140 . 15 1 1 A 13 13 CYS CB C 13 36.168 43.318 -7.150 1
1 141 . 15 1 1 A 13 13 CYS N N 13 114.120 117.646 -3.526 1
1 142 . 15 1 1 A 14 14 LYS H H 14 8.246 8.673 -0.427 1
1 143 . 15 1 1 A 14 14 LYS HA H 14 4.027 4.050 -0.023 1
1 152 . 15 1 1 A 14 14 LYS C C 14 177.863 177.503 0.360 1
1 153 . 15 1 1 A 14 14 LYS CA C 14 58.289 58.043 0.246 1
1 154 . 15 1 1 A 14 14 LYS CB C 14 31.489 32.527 -1.038 1
1 158 . 15 1 1 A 14 14 LYS N N 14 121.767 126.430 -4.663 1
1 159 . 15 1 1 A 15 15 GLY H H 15 8.979 8.790 0.189 1
1 160 . 15 1 1 A 15 15 GLY HA2 H 15 4.161 3.931 0.230 1
1 161 . 15 1 1 A 15 15 GLY HA3 H 15 3.765 3.932 -0.167 1
1 162 . 15 1 1 A 15 15 GLY C C 15 173.903 173.536 0.367 1
1 163 . 15 1 1 A 15 15 GLY CA C 15 45.603 45.534 0.069 1
1 164 . 15 1 1 A 15 15 GLY N N 15 113.508 114.579 -1.071 1
1 165 . 15 1 1 A 16 16 GLU H H 16 8.027 7.664 0.363 1
1 166 . 15 1 1 A 16 16 GLU HA H 16 4.555 4.851 -0.296 1
1 171 . 15 1 1 A 16 16 GLU C C 16 174.310 175.146 -0.836 1
1 172 . 15 1 1 A 16 16 GLU CA C 16 55.213 54.457 0.756 1
1 173 . 15 1 1 A 16 16 GLU CB C 16 31.839 33.476 -1.637 1
1 175 . 15 1 1 A 16 16 GLU N N 16 120.692 119.467 1.225 1
1 176 . 15 1 1 A 17 17 MET H H 17 8.943 8.963 -0.020 1
1 177 . 15 1 1 A 17 17 MET HA H 17 4.584 5.001 -0.417 1
1 185 . 15 1 1 A 17 17 MET C C 17 173.801 175.174 -1.373 1
1 186 . 15 1 1 A 17 17 MET CA C 17 55.183 54.274 0.909 1
1 187 . 15 1 1 A 17 17 MET CB C 17 34.221 33.164 1.057 1
1 190 . 15 1 1 A 17 17 MET N N 17 120.713 120.295 0.418 1
1 191 . 15 1 1 A 18 18 LYS H H 18 8.789 8.544 0.245 1
1 192 . 15 1 1 A 18 18 LYS HA H 18 5.083 4.629 0.454 1
1 201 . 15 1 1 A 18 18 LYS C C 18 175.138 174.782 0.356 1
1 202 . 15 1 1 A 18 18 LYS CA C 18 55.726 55.300 0.426 1
1 203 . 15 1 1 A 18 18 LYS CB C 18 35.053 33.395 1.658 1
1 207 . 15 1 1 A 18 18 LYS N N 18 127.261 123.230 4.031 1
1 208 . 15 1 1 A 19 19 CYS H H 19 9.132 9.089 0.043 1
1 209 . 15 1 1 A 19 19 CYS HA H 19 5.273 5.296 -0.023 1
1 212 . 15 1 1 A 19 19 CYS C C 19 174.193 172.961 1.232 1
1 213 . 15 1 1 A 19 19 CYS CA C 19 54.753 54.507 0.246 1
1 214 . 15 1 1 A 19 19 CYS CB C 19 43.915 43.884 0.031 1
1 215 . 15 1 1 A 19 19 CYS N N 19 126.193 125.014 1.179 1
1 216 . 15 1 1 A 20 20 ILE H H 20 10.001 8.911 1.090 1
1 217 . 15 1 1 A 20 20 ILE HA H 20 5.483 5.471 0.012 1
1 227 . 15 1 1 A 20 20 ILE C C 20 176.355 174.890 1.465 1
1 228 . 15 1 1 A 20 20 ILE CA C 20 59.977 58.900 1.077 1
1 229 . 15 1 1 A 20 20 ILE CB C 20 42.458 42.412 0.046 1
1 233 . 15 1 1 A 20 20 ILE N N 20 119.415 120.186 -0.771 1
1 234 . 15 1 1 A 21 21 ASN H H 21 8.092 8.464 -0.372 1
1 235 . 15 1 1 A 21 21 ASN HA H 21 4.906 4.901 0.005 1
1 240 . 15 1 1 A 21 21 ASN CA C 21 50.729 51.031 -0.302 1
1 241 . 15 1 1 A 21 21 ASN CB C 21 38.492 40.567 -2.075 1
1 245 . 15 1 1 A 22 22 HIS C C 22 174.724 177.345 -2.621 1
1 250 . 15 1 1 A 23 23 TYR H H 23 7.932 8.031 -0.099 1
1 251 . 15 1 1 A 23 23 TYR HA H 23 4.785 4.318 0.467 1
1 258 . 15 1 1 A 23 23 TYR C C 23 176.186 175.840 0.346 1
1 259 . 15 1 1 A 23 23 TYR CA C 23 56.891 60.971 -4.080 1
1 260 . 15 1 1 A 23 23 TYR CB C 23 38.509 39.033 -0.524 1
1 265 . 15 1 1 A 23 23 TYR N N 23 117.160 120.277 -3.117 1
1 266 . 15 1 1 A 24 24 GLY HA2 H 24 4.411 4.021 0.390 1
1 267 . 15 1 1 A 24 24 GLY HA3 H 24 3.674 4.083 -0.409 1
1 268 . 15 1 1 A 24 24 GLY C C 24 174.895 175.052 -0.157 1
1 269 . 15 1 1 A 24 24 GLY CA C 24 45.377 45.051 0.326 1
1 270 . 15 1 1 A 25 25 GLY H H 25 8.418 8.466 -0.048 1
1 271 . 15 1 1 A 25 25 GLY HA2 H 25 4.461 4.163 0.298 1
1 272 . 15 1 1 A 25 25 GLY HA3 H 25 3.737 4.235 -0.498 1
1 273 . 15 1 1 A 25 25 GLY C C 25 172.832 171.810 1.022 1
1 274 . 15 1 1 A 25 25 GLY CA C 25 44.602 45.416 -0.814 1
1 275 . 15 1 1 A 25 25 GLY N N 25 110.337 108.886 1.451 1
1 276 . 15 1 1 A 26 26 TYR H H 26 8.256 8.969 -0.713 1
1 277 . 15 1 1 A 26 26 TYR HA H 26 6.053 5.377 0.676 1
1 284 . 15 1 1 A 26 26 TYR C C 26 173.625 174.030 -0.405 1
1 285 . 15 1 1 A 26 26 TYR CA C 26 55.921 56.433 -0.512 1
1 286 . 15 1 1 A 26 26 TYR CB C 26 42.690 41.981 0.709 1
1 291 . 15 1 1 A 26 26 TYR N N 26 116.601 123.122 -6.521 1
1 292 . 15 1 1 A 27 27 LEU H H 27 9.227 8.795 0.432 1
1 293 . 15 1 1 A 27 27 LEU HA H 27 4.437 4.685 -0.248 1
1 303 . 15 1 1 A 27 27 LEU C C 27 175.019 175.494 -0.475 1
1 304 . 15 1 1 A 27 27 LEU CA C 27 53.999 53.157 0.842 1
1 305 . 15 1 1 A 27 27 LEU CB C 27 46.334 45.815 0.519 1
1 309 . 15 1 1 A 27 27 LEU N N 27 121.005 126.799 -5.794 1
1 310 . 15 1 1 A 28 28 CYS H H 28 8.801 8.790 0.011 1
1 311 . 15 1 1 A 28 28 CYS HA H 28 5.730 5.484 0.246 1
1 314 . 15 1 1 A 28 28 CYS C C 28 174.452 172.404 2.048 1
1 315 . 15 1 1 A 28 28 CYS CA C 28 51.978 54.988 -3.010 1
1 316 . 15 1 1 A 28 28 CYS CB C 28 37.734 44.882 -7.148 1
1 317 . 15 1 1 A 28 28 CYS N N 28 120.613 120.448 0.165 1
1 318 . 15 1 1 A 29 29 LEU H H 29 9.371 8.978 0.393 1
1 319 . 15 1 1 A 29 29 LEU HA H 29 4.891 4.717 0.174 1
1 329 . 15 1 1 A 29 29 LEU C C 29 173.339 174.368 -1.029 1
1 330 . 15 1 1 A 29 29 LEU CA C 29 51.743 51.810 -0.067 1
1 331 . 15 1 1 A 29 29 LEU CB C 29 44.633 42.990 1.643 1
1 335 . 15 1 1 A 29 29 LEU N N 29 127.550 126.330 1.220 1
1 336 . 15 1 1 A 30 30 PRO HA H 30 4.478 4.505 -0.027 1
1 343 . 15 1 1 A 30 30 PRO C C 30 177.206 177.361 -0.155 1
1 344 . 15 1 1 A 30 30 PRO CA C 30 62.730 63.108 -0.378 1
1 345 . 15 1 1 A 30 30 PRO CB C 30 31.984 32.284 -0.300 1
1 348 . 15 1 1 A 31 31 ARG H H 31 8.856 8.877 -0.021 1
1 349 . 15 1 1 A 31 31 ARG HA H 31 4.189 4.193 -0.004 1
1 357 . 15 1 1 A 31 31 ARG C C 31 176.891 177.835 -0.944 1
1 358 . 15 1 1 A 31 31 ARG CA C 31 56.964 58.028 -1.064 1
1 359 . 15 1 1 A 31 31 ARG CB C 31 30.633 30.027 0.606 1
1 362 . 15 1 1 A 31 31 ARG N N 31 121.660 124.844 -3.184 1
1 364 . 15 1 1 A 32 32 SER H H 32 8.318 7.931 0.387 1
1 365 . 15 1 1 A 32 32 SER HA H 32 4.389 4.417 -0.028 1
1 368 . 15 1 1 A 32 32 SER C C 32 174.251 174.586 -0.335 1
1 369 . 15 1 1 A 32 32 SER CA C 32 58.238 59.920 -1.682 1
1 370 . 15 1 1 A 32 32 SER CB C 32 63.821 63.471 0.350 1
1 371 . 15 1 1 A 32 32 SER N N 32 116.432 113.965 2.467 1
1 372 . 15 1 1 A 33 33 ALA H H 33 8.353 7.067 1.286 1
1 373 . 15 1 1 A 33 33 ALA HA H 33 4.307 4.339 -0.032 1
1 377 . 15 1 1 A 33 33 ALA C C 33 177.290 177.302 -0.012 1
1 378 . 15 1 1 A 33 33 ALA CA C 33 52.515 51.932 0.583 1
1 379 . 15 1 1 A 33 33 ALA CB C 33 19.358 20.223 -0.865 1
1 380 . 15 1 1 A 33 33 ALA N N 33 126.203 123.807 2.396 1
1 381 . 15 1 1 A 34 34 ALA H H 34 8.178 8.765 -0.587 1
1 382 . 15 1 1 A 34 34 ALA HA H 34 4.280 4.525 -0.245 1
1 386 . 15 1 1 A 34 34 ALA C C 34 177.519 178.764 -1.245 1
1 387 . 15 1 1 A 34 34 ALA CA C 34 52.480 51.645 0.835 1
1 388 . 15 1 1 A 34 34 ALA CB C 34 19.250 19.532 -0.282 1
1 389 . 15 1 1 A 34 34 ALA N N 34 123.091 122.994 0.097 1
1 390 . 15 1 1 A 35 35 VAL H H 35 8.083 8.444 -0.361 1
1 391 . 15 1 1 A 35 35 VAL HA H 35 4.060 4.590 -0.530 1
1 399 . 15 1 1 A 35 35 VAL C C 35 176.050 176.556 -0.506 1
1 400 . 15 1 1 A 35 35 VAL CA C 35 62.297 61.050 1.247 1
1 401 . 15 1 1 A 35 35 VAL CB C 35 32.695 32.066 0.629 1
1 404 . 15 1 1 A 35 35 VAL N N 35 120.060 117.261 2.799 1
1 405 . 15 1 1 A 36 36 ILE H H 36 8.264 8.036 0.228 1
1 406 . 15 1 1 A 36 36 ILE HA H 36 4.141 3.934 0.207 1
1 416 . 15 1 1 A 36 36 ILE C C 36 175.848 175.942 -0.094 1
1 417 . 15 1 1 A 36 36 ILE CA C 36 60.924 63.599 -2.675 1
1 418 . 15 1 1 A 36 36 ILE CB C 36 38.614 37.588 1.026 1
1 422 . 15 1 1 A 36 36 ILE N N 36 125.147 120.459 4.688 1
1 423 . 15 1 1 A 37 37 ASN H H 37 8.501 7.674 0.827 1
1 424 . 15 1 1 A 37 37 ASN HA H 37 4.702 4.966 -0.264 1
1 429 . 15 1 1 A 37 37 ASN C C 37 174.609 173.245 1.364 1
1 430 . 15 1 1 A 37 37 ASN CA C 37 53.143 52.627 0.516 1
1 431 . 15 1 1 A 37 37 ASN CB C 37 38.957 41.597 -2.640 1
1 432 . 15 1 1 A 37 37 ASN N N 37 123.292 118.662 4.630 1
1 434 . 15 1 1 A 38 38 ASP H H 38 8.326 8.691 -0.365 1
1 435 . 15 1 1 A 38 38 ASP HA H 38 4.562 4.746 -0.184 1
1 438 . 15 1 1 A 38 38 ASP C C 38 176.188 176.469 -0.281 1
1 439 . 15 1 1 A 38 38 ASP CA C 38 54.218 54.006 0.212 1
1 440 . 15 1 1 A 38 38 ASP CB C 38 41.133 41.574 -0.441 1
1 441 . 15 1 1 A 38 38 ASP N N 38 121.317 121.098 0.219 1
1 442 . 15 1 1 A 39 39 LEU H H 39 8.188 8.663 -0.475 1
1 443 . 15 1 1 A 39 39 LEU HA H 39 4.242 4.618 -0.376 1
1 453 . 15 1 1 A 39 39 LEU C C 39 177.515 177.048 0.467 1
1 454 . 15 1 1 A 39 39 LEU CA C 39 55.501 54.557 0.944 1
1 455 . 15 1 1 A 39 39 LEU CB C 39 42.030 41.792 0.238 1
1 459 . 15 1 1 A 39 39 LEU N N 39 122.367 120.707 1.660 1
1 460 . 15 1 1 A 40 40 HIS H H 40 8.418 7.499 0.919 1
1 461 . 15 1 1 A 40 40 HIS HA H 40 4.636 4.495 0.141 1
1 466 . 15 1 1 A 40 40 HIS C C 40 175.495 175.682 -0.187 1
1 467 . 15 1 1 A 40 40 HIS CA C 40 55.920 57.483 -1.563 1
1 468 . 15 1 1 A 40 40 HIS CB C 40 29.633 30.525 -0.892 1
1 471 . 15 1 1 A 40 40 HIS N N 40 118.989 119.223 -0.234 1
1 474 . 15 1 1 A 41 41 GLY H H 41 8.258 7.770 0.488 1
1 475 . 15 1 1 A 41 41 GLY HA2 H 41 3.969 3.906 0.063 1
1 476 . 15 1 1 A 41 41 GLY HA3 H 41 3.952 3.924 0.028 1
1 477 . 15 1 1 A 41 41 GLY C C 41 174.007 172.502 1.505 1
1 478 . 15 1 1 A 41 41 GLY CA C 41 45.363 45.434 -0.071 1
1 479 . 15 1 1 A 41 41 GLY N N 41 109.714 107.619 2.095 1
1 480 . 15 1 1 A 42 42 GLU H H 42 8.406 8.416 -0.010 1
1 481 . 15 1 1 A 42 42 GLU HA H 42 4.378 4.556 -0.178 1
1 486 . 15 1 1 A 42 42 GLU C C 42 176.668 177.514 -0.846 1
1 487 . 15 1 1 A 42 42 GLU CA C 42 56.278 54.031 2.247 1
1 488 . 15 1 1 A 42 42 GLU CB C 42 30.473 32.570 -2.097 1
1 490 . 15 1 1 A 42 42 GLU N N 42 120.561 120.975 -0.414 1
1 491 . 15 1 1 A 43 43 GLY H H 43 8.284 8.642 -0.358 1
1 492 . 15 1 1 A 43 43 GLY HA2 H 43 4.100 3.786 0.314 1
1 493 . 15 1 1 A 43 43 GLY HA3 H 43 4.099 3.787 0.312 1
1 494 . 15 1 1 A 43 43 GLY C C 43 171.027 174.614 -3.587 1
1 495 . 15 1 1 A 43 43 GLY CA C 43 44.399 48.084 -3.685 1
1 496 . 15 1 1 A 43 43 GLY N N 43 110.014 111.104 -1.090 1
1 498 . 15 1 1 A 47 47 PRO C C 47 176.172 174.884 1.288 1
1 499 . 15 1 1 A 47 47 PRO CB C 47 32.134 31.853 0.281 1
1 500 . 15 1 1 A 48 48 VAL H H 48 8.585 7.671 0.914 1
1 501 . 15 1 1 A 48 48 VAL HA H 48 4.438 4.637 -0.199 1
1 508 . 15 1 1 A 48 48 VAL C C 48 174.309 174.734 -0.425 1
1 509 . 15 1 1 A 48 48 VAL CA C 48 59.190 59.454 -0.264 1
1 512 . 15 1 1 A 48 48 VAL N N 48 125.965 116.229 9.736 1
1 513 . 15 1 1 A 50 50 PRO HA H 50 4.353 4.401 -0.048 1
1 520 . 15 1 1 A 50 50 PRO C C 50 176.824 176.183 0.641 1
1 521 . 15 1 1 A 50 50 PRO CA C 50 63.194 64.658 -1.464 1
1 522 . 15 1 1 A 50 50 PRO CB C 50 32.006 32.113 -0.107 1
1 525 . 15 1 1 A 51 51 ALA H H 51 8.301 7.275 1.026 1
1 526 . 15 1 1 A 51 51 ALA HA H 51 4.241 4.673 -0.432 1
1 530 . 15 1 1 A 51 51 ALA C C 51 177.617 175.249 2.368 1
1 531 . 15 1 1 A 51 51 ALA CA C 51 52.717 51.457 1.260 1
1 532 . 15 1 1 A 51 51 ALA CB C 51 19.211 22.814 -3.603 1
1 533 . 15 1 1 A 51 51 ALA N N 51 122.996 116.326 6.670 1
1 534 . 15 1 1 A 52 52 GLN H H 52 8.165 8.562 -0.397 1
1 535 . 15 1 1 A 52 52 GLN HA H 52 4.266 4.364 -0.098 1
1 542 . 15 1 1 A 52 52 GLN C C 52 175.394 174.111 1.283 1
1 543 . 15 1 1 A 52 52 GLN CA C 52 55.582 54.960 0.622 1
1 544 . 15 1 1 A 52 52 GLN CB C 52 29.636 26.933 2.703 1
1 546 . 15 1 1 A 52 52 GLN N N 52 118.178 121.093 -2.915 1
1 548 . 15 1 1 A 53 53 HIS H H 53 8.395 7.975 0.420 1
1 549 . 15 1 1 A 53 53 HIS HA H 53 4.872 4.917 -0.045 1
1 554 . 15 1 1 A 53 53 HIS C C 53 173.260 174.968 -1.708 1
1 555 . 15 1 1 A 53 53 HIS CA C 53 54.036 53.810 0.226 1
1 556 . 15 1 1 A 53 53 HIS CB C 53 29.841 32.779 -2.938 1
1 559 . 15 1 1 A 53 53 HIS N N 53 121.522 122.062 -0.540 1
1 562 . 15 1 1 A 54 54 PRO HA H 54 4.547 4.262 0.285 1
1 569 . 15 1 1 A 54 54 PRO C C 54 176.605 176.783 -0.178 1
1 570 . 15 1 1 A 54 54 PRO CA C 54 62.997 64.638 -1.641 1
1 571 . 15 1 1 A 54 54 PRO CB C 54 32.349 31.928 0.421 1
1 574 . 15 1 1 A 55 55 ASN H H 55 8.646 8.154 0.492 1
1 575 . 15 1 1 A 55 55 ASN HA H 55 4.969 4.388 0.581 1
1 580 . 15 1 1 A 55 55 ASN C C 55 171.312 175.844 -4.532 1
1 581 . 15 1 1 A 55 55 ASN CA C 55 50.412 53.645 -3.233 1
1 582 . 15 1 1 A 55 55 ASN CB C 55 39.150 36.892 2.258 1
1 583 . 15 1 1 A 55 55 ASN N N 55 119.583 114.202 5.381 1
1 585 . 15 1 1 A 56 56 PRO HA H 56 4.400 4.401 -0.001 1
1 592 . 15 1 1 A 56 56 PRO C C 56 176.686 176.345 0.341 1
1 593 . 15 1 1 A 56 56 PRO CA C 56 63.273 64.342 -1.069 1
1 594 . 15 1 1 A 56 56 PRO CB C 56 31.783 31.455 0.328 1
1 597 . 15 1 1 A 57 57 CYS H H 57 7.831 8.028 -0.197 1
1 598 . 15 1 1 A 57 57 CYS HA H 57 4.443 4.693 -0.250 1
1 601 . 15 1 1 A 57 57 CYS C C 57 173.881 172.043 1.838 1
1 602 . 15 1 1 A 57 57 CYS CA C 57 59.103 55.541 3.562 1
1 603 . 15 1 1 A 57 57 CYS CB C 57 32.909 42.276 -9.367 1
1 604 . 15 1 1 A 57 57 CYS N N 57 119.502 117.910 1.592 1
1 605 . 15 1 1 A 59 59 PRO HA H 59 4.385 4.278 0.107 1
1 612 . 15 1 1 A 59 59 PRO C C 59 177.996 177.201 0.795 1
1 613 . 15 1 1 A 59 59 PRO CA C 59 64.249 64.009 0.240 1
1 614 . 15 1 1 A 59 59 PRO CB C 59 31.776 31.470 0.306 1
1 617 . 15 1 1 A 60 60 GLY H H 60 8.761 8.902 -0.141 1
1 618 . 15 1 1 A 60 60 GLY HA2 H 60 4.302 3.775 0.527 1
1 619 . 15 1 1 A 60 60 GLY HA3 H 60 3.619 3.853 -0.234 1
1 620 . 15 1 1 A 60 60 GLY C C 60 173.861 173.719 0.142 1
1 621 . 15 1 1 A 60 60 GLY CA C 60 44.888 45.124 -0.236 1
1 622 . 15 1 1 A 60 60 GLY N N 60 112.485 112.688 -0.203 1
1 623 . 15 1 1 A 61 61 TYR H H 61 8.522 7.973 0.549 1
1 624 . 15 1 1 A 61 61 TYR HA H 61 5.083 4.564 0.519 1
1 631 . 15 1 1 A 61 61 TYR C C 61 174.910 175.549 -0.639 1
1 632 . 15 1 1 A 61 61 TYR CA C 61 56.152 57.908 -1.756 1
1 633 . 15 1 1 A 61 61 TYR CB C 61 42.124 39.787 2.337 1
1 638 . 15 1 1 A 61 61 TYR N N 61 118.801 120.209 -1.408 1
1 639 . 15 1 1 A 62 62 GLU H H 62 9.129 9.080 0.049 1
1 640 . 15 1 1 A 62 62 GLU HA H 62 4.962 4.896 0.066 1
1 645 . 15 1 1 A 62 62 GLU C C 62 173.115 174.600 -1.485 1
1 646 . 15 1 1 A 62 62 GLU CA C 62 53.654 53.979 -0.325 1
1 647 . 15 1 1 A 62 62 GLU CB C 62 31.928 30.860 1.068 1
1 649 . 15 1 1 A 62 62 GLU N N 62 118.016 122.294 -4.278 1
1 650 . 15 1 1 A 63 63 PRO HA H 63 4.743 4.492 0.251 1
1 657 . 15 1 1 A 63 63 PRO C C 63 177.040 176.065 0.975 1
1 658 . 15 1 1 A 63 63 PRO CA C 63 63.759 62.779 0.980 1
1 659 . 15 1 1 A 63 63 PRO CB C 63 32.352 31.720 0.632 1
1 662 . 15 1 1 A 64 64 ASP H H 64 8.595 8.702 -0.107 1
1 663 . 15 1 1 A 64 64 ASP HA H 64 4.679 4.837 -0.158 1
1 666 . 15 1 1 A 64 64 ASP C C 64 175.960 174.666 1.294 1
1 667 . 15 1 1 A 64 64 ASP CA C 64 53.790 53.490 0.300 1
1 668 . 15 1 1 A 64 64 ASP CB C 64 42.611 41.064 1.547 1
1 669 . 15 1 1 A 64 64 ASP N N 64 122.807 122.493 0.314 1
1 670 . 15 1 1 A 65 65 ASP H H 65 8.437 8.735 -0.298 1
1 671 . 15 1 1 A 65 65 ASP HA H 65 4.701 4.957 -0.256 1
1 674 . 15 1 1 A 65 65 ASP C C 65 176.412 175.352 1.060 1
1 675 . 15 1 1 A 65 65 ASP CA C 65 54.043 54.309 -0.266 1
1 676 . 15 1 1 A 65 65 ASP CB C 65 41.279 41.429 -0.150 1
1 677 . 15 1 1 A 65 65 ASP N N 65 124.473 126.863 -2.390 1
1 678 . 15 1 1 A 66 66 GLN H H 66 8.316 8.392 -0.076 1
1 679 . 15 1 1 A 66 66 GLN HA H 66 4.290 4.877 -0.587 1
1 686 . 15 1 1 A 66 66 GLN C C 66 175.877 175.521 0.356 1
1 687 . 15 1 1 A 66 66 GLN CA C 66 55.992 55.098 0.894 1
1 688 . 15 1 1 A 66 66 GLN CB C 66 29.565 29.214 0.351 1
1 690 . 15 1 1 A 66 66 GLN N N 66 120.317 125.567 -5.250 1
1 692 . 15 1 1 A 67 67 ASP H H 67 8.438 8.666 -0.228 1
1 693 . 15 1 1 A 67 67 ASP HA H 67 4.619 4.745 -0.126 1
1 696 . 15 1 1 A 67 67 ASP C C 67 176.300 176.578 -0.278 1
1 697 . 15 1 1 A 67 67 ASP CA C 67 54.535 55.034 -0.499 1
1 698 . 15 1 1 A 67 67 ASP CB C 67 41.210 41.592 -0.382 1
1 699 . 15 1 1 A 67 67 ASP N N 67 121.942 125.951 -4.009 1
1 700 . 15 1 1 A 68 68 SER H H 68 8.274 7.921 0.353 1
1 701 . 15 1 1 A 68 68 SER HA H 68 4.476 4.289 0.187 1
1 704 . 15 1 1 A 68 68 SER C C 68 174.516 174.224 0.292 1
1 705 . 15 1 1 A 68 68 SER CA C 68 58.615 61.524 -2.909 1
1 706 . 15 1 1 A 68 68 SER CB C 68 63.911 62.992 0.919 1
1 707 . 15 1 1 A 68 68 SER N N 68 116.099 113.747 2.352 1
1 708 . 15 1 1 A 69 69 CYS H H 69 8.589 7.920 0.669 1
1 709 . 15 1 1 A 69 69 CYS HA H 69 4.719 4.988 -0.269 1
1 712 . 15 1 1 A 69 69 CYS C C 69 174.437 172.131 2.306 1
1 713 . 15 1 1 A 69 69 CYS CA C 69 55.620 55.008 0.612 1
1 714 . 15 1 1 A 69 69 CYS CB C 69 40.727 44.124 -3.397 1
1 715 . 15 1 1 A 69 69 CYS N N 69 120.951 117.424 3.527 1
1 716 . 15 1 1 A 70 70 VAL H H 70 8.150 8.892 -0.742 1
1 717 . 15 1 1 A 70 70 VAL HA H 70 4.193 4.893 -0.700 1
1 725 . 15 1 1 A 70 70 VAL C C 70 174.771 174.601 0.170 1
1 726 . 15 1 1 A 70 70 VAL CA C 70 62.021 59.157 2.864 1
1 727 . 15 1 1 A 70 70 VAL CB C 70 33.168 35.051 -1.883 1
1 730 . 15 1 1 A 70 70 VAL N N 70 120.979 123.422 -2.443 1
1 2 . 16 1 1 A 2 2 ASP H H 2 8.270 8.513 -0.243 1
1 3 . 16 1 1 A 2 2 ASP HA H 2 4.706 4.713 -0.007 1
1 6 . 16 1 1 A 2 2 ASP C C 2 176.240 175.245 0.995 1
1 7 . 16 1 1 A 2 2 ASP CA C 2 54.448 54.987 -0.539 1
1 8 . 16 1 1 A 2 2 ASP CB C 2 41.396 41.403 -0.007 1
1 9 . 16 1 1 A 2 2 ASP N N 2 116.604 121.524 -4.920 1
1 10 . 16 1 1 A 3 3 VAL H H 3 8.197 8.599 -0.402 1
1 11 . 16 1 1 A 3 3 VAL HA H 3 4.090 4.977 -0.887 1
1 19 . 16 1 1 A 3 3 VAL C C 3 175.880 174.243 1.637 1
1 20 . 16 1 1 A 3 3 VAL CA C 3 62.509 59.770 2.739 1
1 21 . 16 1 1 A 3 3 VAL CB C 3 32.701 34.483 -1.782 1
1 24 . 16 1 1 A 3 3 VAL N N 3 119.871 120.753 -0.882 1
1 25 . 16 1 1 A 4 4 ASN H H 4 8.502 9.194 -0.692 1
1 26 . 16 1 1 A 4 4 ASN HA H 4 4.700 5.465 -0.765 1
1 31 . 16 1 1 A 4 4 ASN C C 4 175.378 174.094 1.284 1
1 32 . 16 1 1 A 4 4 ASN CA C 4 53.427 51.182 2.245 1
1 33 . 16 1 1 A 4 4 ASN CB C 4 39.212 41.648 -2.436 1
1 34 . 16 1 1 A 4 4 ASN N N 4 121.932 125.579 -3.647 1
1 36 . 16 1 1 A 5 5 GLU H H 5 8.453 8.828 -0.375 1
1 37 . 16 1 1 A 5 5 GLU HA H 5 4.281 4.490 -0.209 1
1 42 . 16 1 1 A 5 5 GLU C C 5 176.502 177.805 -1.303 1
1 43 . 16 1 1 A 5 5 GLU CA C 5 56.925 55.633 1.292 1
1 44 . 16 1 1 A 5 5 GLU CB C 5 30.226 30.655 -0.429 1
1 46 . 16 1 1 A 5 5 GLU N N 5 122.108 121.200 0.908 1
1 47 . 16 1 1 A 6 6 CYS H H 6 8.519 8.606 -0.087 1
1 48 . 16 1 1 A 6 6 CYS HA H 6 4.605 4.480 0.125 1
1 51 . 16 1 1 A 6 6 CYS C C 6 174.876 174.703 0.173 1
1 52 . 16 1 1 A 6 6 CYS CA C 6 56.068 57.938 -1.870 1
1 53 . 16 1 1 A 6 6 CYS CB C 6 40.544 42.245 -1.701 1
1 54 . 16 1 1 A 6 6 CYS N N 6 119.657 118.730 0.927 1
1 55 . 16 1 1 A 7 7 LEU H H 7 8.372 7.812 0.560 1
1 56 . 16 1 1 A 7 7 LEU HA H 7 4.361 4.443 -0.082 1
1 66 . 16 1 1 A 7 7 LEU C C 7 177.534 176.758 0.776 1
1 67 . 16 1 1 A 7 7 LEU CA C 7 55.778 55.103 0.675 1
1 68 . 16 1 1 A 7 7 LEU CB C 7 42.554 41.601 0.953 1
1 72 . 16 1 1 A 7 7 LEU N N 7 123.198 115.887 7.311 1
1 73 . 16 1 1 A 8 8 THR H H 8 8.018 7.161 0.857 1
1 74 . 16 1 1 A 8 8 THR HA H 8 4.332 4.300 0.032 1
1 79 . 16 1 1 A 8 8 THR C C 8 174.296 174.655 -0.359 1
1 80 . 16 1 1 A 8 8 THR CA C 8 61.745 62.815 -1.070 1
1 81 . 16 1 1 A 8 8 THR CB C 8 69.529 69.528 0.001 1
1 83 . 16 1 1 A 8 8 THR N N 8 113.232 116.364 -3.132 1
1 84 . 16 1 1 A 9 9 ILE H H 9 7.827 8.506 -0.679 1
1 85 . 16 1 1 A 9 9 ILE HA H 9 4.472 4.474 -0.002 1
1 95 . 16 1 1 A 9 9 ILE C C 9 174.443 175.767 -1.324 1
1 96 . 16 1 1 A 9 9 ILE CA C 9 58.355 59.044 -0.689 1
1 97 . 16 1 1 A 9 9 ILE CB C 9 38.496 37.992 0.504 1
1 101 . 16 1 1 A 9 9 ILE N N 9 123.285 125.650 -2.365 1
1 102 . 16 1 1 A 10 10 PRO HA H 10 4.351 4.626 -0.275 1
1 109 . 16 1 1 A 10 10 PRO C C 10 177.207 176.572 0.635 1
1 110 . 16 1 1 A 10 10 PRO CA C 10 63.599 62.288 1.311 1
1 111 . 16 1 1 A 10 10 PRO CB C 10 31.965 28.966 2.999 1
1 114 . 16 1 1 A 11 11 GLU H H 11 8.555 8.590 -0.035 1
1 115 . 16 1 1 A 11 11 GLU HA H 11 4.053 4.103 -0.050 1
1 120 . 16 1 1 A 11 11 GLU C C 11 176.353 176.628 -0.275 1
1 121 . 16 1 1 A 11 11 GLU CA C 11 56.955 57.496 -0.541 1
1 122 . 16 1 1 A 11 11 GLU CB C 11 29.589 29.575 0.014 1
1 124 . 16 1 1 A 11 11 GLU N N 11 120.562 122.755 -2.193 1
1 125 . 16 1 1 A 12 12 ALA H H 12 8.089 7.557 0.532 1
1 126 . 16 1 1 A 12 12 ALA HA H 12 4.233 5.016 -0.783 1
1 130 . 16 1 1 A 12 12 ALA C C 12 178.135 176.864 1.271 1
1 131 . 16 1 1 A 12 12 ALA CA C 12 53.092 51.875 1.217 1
1 132 . 16 1 1 A 12 12 ALA CB C 12 19.570 21.040 -1.470 1
1 133 . 16 1 1 A 12 12 ALA N N 12 123.927 121.995 1.932 1
1 134 . 16 1 1 A 13 13 CYS H H 13 8.725 8.813 -0.088 1
1 135 . 16 1 1 A 13 13 CYS HA H 13 4.816 5.246 -0.430 1
1 138 . 16 1 1 A 13 13 CYS C C 13 175.490 173.289 2.201 1
1 139 . 16 1 1 A 13 13 CYS CA C 13 52.752 54.794 -2.042 1
1 140 . 16 1 1 A 13 13 CYS CB C 13 36.168 43.211 -7.043 1
1 141 . 16 1 1 A 13 13 CYS N N 13 114.120 118.566 -4.446 1
1 142 . 16 1 1 A 14 14 LYS H H 14 8.246 8.651 -0.405 1
1 143 . 16 1 1 A 14 14 LYS HA H 14 4.027 4.079 -0.052 1
1 152 . 16 1 1 A 14 14 LYS C C 14 177.863 177.520 0.343 1
1 153 . 16 1 1 A 14 14 LYS CA C 14 58.289 58.002 0.287 1
1 154 . 16 1 1 A 14 14 LYS CB C 14 31.489 32.572 -1.083 1
1 158 . 16 1 1 A 14 14 LYS N N 14 121.767 126.443 -4.676 1
1 159 . 16 1 1 A 15 15 GLY H H 15 8.979 8.762 0.217 1
1 160 . 16 1 1 A 15 15 GLY HA2 H 15 4.161 3.922 0.239 1
1 161 . 16 1 1 A 15 15 GLY HA3 H 15 3.765 3.923 -0.158 1
1 162 . 16 1 1 A 15 15 GLY C C 15 173.903 173.614 0.289 1
1 163 . 16 1 1 A 15 15 GLY CA C 15 45.603 45.553 0.050 1
1 164 . 16 1 1 A 15 15 GLY N N 15 113.508 114.407 -0.899 1
1 165 . 16 1 1 A 16 16 GLU H H 16 8.027 7.959 0.068 1
1 166 . 16 1 1 A 16 16 GLU HA H 16 4.555 4.898 -0.343 1
1 171 . 16 1 1 A 16 16 GLU C C 16 174.310 175.002 -0.692 1
1 172 . 16 1 1 A 16 16 GLU CA C 16 55.213 54.353 0.860 1
1 173 . 16 1 1 A 16 16 GLU CB C 16 31.839 33.642 -1.803 1
1 175 . 16 1 1 A 16 16 GLU N N 16 120.692 119.415 1.277 1
1 176 . 16 1 1 A 17 17 MET H H 17 8.943 9.005 -0.062 1
1 177 . 16 1 1 A 17 17 MET HA H 17 4.584 5.049 -0.465 1
1 185 . 16 1 1 A 17 17 MET C C 17 173.801 175.381 -1.580 1
1 186 . 16 1 1 A 17 17 MET CA C 17 55.183 54.396 0.787 1
1 187 . 16 1 1 A 17 17 MET CB C 17 34.221 32.911 1.310 1
1 190 . 16 1 1 A 17 17 MET N N 17 120.713 120.245 0.468 1
1 191 . 16 1 1 A 18 18 LYS H H 18 8.789 8.656 0.133 1
1 192 . 16 1 1 A 18 18 LYS HA H 18 5.083 4.563 0.520 1
1 201 . 16 1 1 A 18 18 LYS C C 18 175.138 174.520 0.618 1
1 202 . 16 1 1 A 18 18 LYS CA C 18 55.726 55.631 0.095 1
1 203 . 16 1 1 A 18 18 LYS CB C 18 35.053 33.410 1.643 1
1 207 . 16 1 1 A 18 18 LYS N N 18 127.261 123.678 3.583 1
1 208 . 16 1 1 A 19 19 CYS H H 19 9.132 9.092 0.040 1
1 209 . 16 1 1 A 19 19 CYS HA H 19 5.273 5.483 -0.210 1
1 212 . 16 1 1 A 19 19 CYS C C 19 174.193 173.093 1.100 1
1 213 . 16 1 1 A 19 19 CYS CA C 19 54.753 54.548 0.205 1
1 214 . 16 1 1 A 19 19 CYS CB C 19 43.915 43.644 0.271 1
1 215 . 16 1 1 A 19 19 CYS N N 19 126.193 125.179 1.014 1
1 216 . 16 1 1 A 20 20 ILE H H 20 10.001 8.981 1.020 1
1 217 . 16 1 1 A 20 20 ILE HA H 20 5.483 5.859 -0.376 1
1 227 . 16 1 1 A 20 20 ILE C C 20 176.355 174.722 1.633 1
1 228 . 16 1 1 A 20 20 ILE CA C 20 59.977 59.053 0.924 1
1 229 . 16 1 1 A 20 20 ILE CB C 20 42.458 42.241 0.217 1
1 233 . 16 1 1 A 20 20 ILE N N 20 119.415 119.901 -0.486 1
1 234 . 16 1 1 A 21 21 ASN H H 21 8.092 8.085 0.007 1
1 235 . 16 1 1 A 21 21 ASN HA H 21 4.906 4.958 -0.052 1
1 240 . 16 1 1 A 21 21 ASN CA C 21 50.729 50.958 -0.229 1
1 241 . 16 1 1 A 21 21 ASN CB C 21 38.492 40.581 -2.089 1
1 245 . 16 1 1 A 22 22 HIS C C 22 174.724 176.889 -2.165 1
1 250 . 16 1 1 A 23 23 TYR H H 23 7.932 7.926 0.006 1
1 251 . 16 1 1 A 23 23 TYR HA H 23 4.785 4.523 0.262 1
1 258 . 16 1 1 A 23 23 TYR C C 23 176.186 175.892 0.294 1
1 259 . 16 1 1 A 23 23 TYR CA C 23 56.891 58.532 -1.641 1
1 260 . 16 1 1 A 23 23 TYR CB C 23 38.509 38.766 -0.257 1
1 265 . 16 1 1 A 23 23 TYR N N 23 117.160 117.713 -0.553 1
1 266 . 16 1 1 A 24 24 GLY HA2 H 24 4.411 4.124 0.287 1
1 267 . 16 1 1 A 24 24 GLY HA3 H 24 3.674 4.126 -0.452 1
1 268 . 16 1 1 A 24 24 GLY C C 24 174.895 175.060 -0.165 1
1 269 . 16 1 1 A 24 24 GLY CA C 24 45.377 45.057 0.320 1
1 270 . 16 1 1 A 25 25 GLY H H 25 8.418 8.365 0.053 1
1 271 . 16 1 1 A 25 25 GLY HA2 H 25 4.461 4.027 0.434 1
1 272 . 16 1 1 A 25 25 GLY HA3 H 25 3.737 4.099 -0.362 1
1 273 . 16 1 1 A 25 25 GLY C C 25 172.832 171.894 0.938 1
1 274 . 16 1 1 A 25 25 GLY CA C 25 44.602 45.959 -1.357 1
1 275 . 16 1 1 A 25 25 GLY N N 25 110.337 109.040 1.297 1
1 276 . 16 1 1 A 26 26 TYR H H 26 8.256 8.965 -0.709 1
1 277 . 16 1 1 A 26 26 TYR HA H 26 6.053 5.384 0.669 1
1 284 . 16 1 1 A 26 26 TYR C C 26 173.625 173.948 -0.323 1
1 285 . 16 1 1 A 26 26 TYR CA C 26 55.921 56.442 -0.521 1
1 286 . 16 1 1 A 26 26 TYR CB C 26 42.690 41.961 0.729 1
1 291 . 16 1 1 A 26 26 TYR N N 26 116.601 124.121 -7.520 1
1 292 . 16 1 1 A 27 27 LEU H H 27 9.227 8.756 0.471 1
1 293 . 16 1 1 A 27 27 LEU HA H 27 4.437 4.715 -0.278 1
1 303 . 16 1 1 A 27 27 LEU C C 27 175.019 175.540 -0.521 1
1 304 . 16 1 1 A 27 27 LEU CA C 27 53.999 53.093 0.906 1
1 305 . 16 1 1 A 27 27 LEU CB C 27 46.334 45.260 1.074 1
1 309 . 16 1 1 A 27 27 LEU N N 27 121.005 127.026 -6.021 1
1 310 . 16 1 1 A 28 28 CYS H H 28 8.801 8.695 0.106 1
1 311 . 16 1 1 A 28 28 CYS HA H 28 5.730 5.503 0.227 1
1 314 . 16 1 1 A 28 28 CYS C C 28 174.452 172.755 1.697 1
1 315 . 16 1 1 A 28 28 CYS CA C 28 51.978 54.654 -2.676 1
1 316 . 16 1 1 A 28 28 CYS CB C 28 37.734 44.088 -6.354 1
1 317 . 16 1 1 A 28 28 CYS N N 28 120.613 120.822 -0.209 1
1 318 . 16 1 1 A 29 29 LEU H H 29 9.371 8.716 0.655 1
1 319 . 16 1 1 A 29 29 LEU HA H 29 4.891 4.683 0.208 1
1 329 . 16 1 1 A 29 29 LEU C C 29 173.339 174.689 -1.350 1
1 330 . 16 1 1 A 29 29 LEU CA C 29 51.743 52.482 -0.739 1
1 331 . 16 1 1 A 29 29 LEU CB C 29 44.633 41.564 3.069 1
1 335 . 16 1 1 A 29 29 LEU N N 29 127.550 126.774 0.776 1
1 336 . 16 1 1 A 30 30 PRO HA H 30 4.478 4.553 -0.075 1
1 343 . 16 1 1 A 30 30 PRO C C 30 177.206 177.347 -0.141 1
1 344 . 16 1 1 A 30 30 PRO CA C 30 62.730 63.073 -0.343 1
1 345 . 16 1 1 A 30 30 PRO CB C 30 31.984 32.127 -0.143 1
1 348 . 16 1 1 A 31 31 ARG H H 31 8.856 8.884 -0.028 1
1 349 . 16 1 1 A 31 31 ARG HA H 31 4.189 4.221 -0.032 1
1 357 . 16 1 1 A 31 31 ARG C C 31 176.891 176.991 -0.100 1
1 358 . 16 1 1 A 31 31 ARG CA C 31 56.964 57.424 -0.460 1
1 359 . 16 1 1 A 31 31 ARG CB C 31 30.633 29.891 0.742 1
1 362 . 16 1 1 A 31 31 ARG N N 31 121.660 124.814 -3.154 1
1 364 . 16 1 1 A 32 32 SER H H 32 8.318 7.750 0.568 1
1 365 . 16 1 1 A 32 32 SER HA H 32 4.389 4.368 0.021 1
1 368 . 16 1 1 A 32 32 SER C C 32 174.251 174.430 -0.179 1
1 369 . 16 1 1 A 32 32 SER CA C 32 58.238 60.202 -1.964 1
1 370 . 16 1 1 A 32 32 SER CB C 32 63.821 63.110 0.711 1
1 371 . 16 1 1 A 32 32 SER N N 32 116.432 114.443 1.989 1
1 372 . 16 1 1 A 33 33 ALA H H 33 8.353 7.044 1.309 1
1 373 . 16 1 1 A 33 33 ALA HA H 33 4.307 4.337 -0.030 1
1 377 . 16 1 1 A 33 33 ALA C C 33 177.290 177.139 0.151 1
1 378 . 16 1 1 A 33 33 ALA CA C 33 52.515 51.894 0.621 1
1 379 . 16 1 1 A 33 33 ALA CB C 33 19.358 20.564 -1.206 1
1 380 . 16 1 1 A 33 33 ALA N N 33 126.203 122.501 3.702 1
1 381 . 16 1 1 A 34 34 ALA H H 34 8.178 8.691 -0.513 1
1 382 . 16 1 1 A 34 34 ALA HA H 34 4.280 4.419 -0.139 1
1 386 . 16 1 1 A 34 34 ALA C C 34 177.519 178.796 -1.277 1
1 387 . 16 1 1 A 34 34 ALA CA C 34 52.480 51.593 0.887 1
1 388 . 16 1 1 A 34 34 ALA CB C 34 19.250 19.173 0.077 1
1 389 . 16 1 1 A 34 34 ALA N N 34 123.091 123.109 -0.018 1
1 390 . 16 1 1 A 35 35 VAL H H 35 8.083 8.603 -0.520 1
1 391 . 16 1 1 A 35 35 VAL HA H 35 4.060 4.200 -0.140 1
1 399 . 16 1 1 A 35 35 VAL C C 35 176.050 176.489 -0.439 1
1 400 . 16 1 1 A 35 35 VAL CA C 35 62.297 63.530 -1.233 1
1 401 . 16 1 1 A 35 35 VAL CB C 35 32.695 32.004 0.691 1
1 404 . 16 1 1 A 35 35 VAL N N 35 120.060 119.246 0.814 1
1 405 . 16 1 1 A 36 36 ILE H H 36 8.264 7.424 0.840 1
1 406 . 16 1 1 A 36 36 ILE HA H 36 4.141 4.171 -0.030 1
1 416 . 16 1 1 A 36 36 ILE C C 36 175.848 176.039 -0.191 1
1 417 . 16 1 1 A 36 36 ILE CA C 36 60.924 60.604 0.320 1
1 418 . 16 1 1 A 36 36 ILE CB C 36 38.614 39.539 -0.925 1
1 422 . 16 1 1 A 36 36 ILE N N 36 125.147 120.177 4.970 1
1 423 . 16 1 1 A 37 37 ASN H H 37 8.501 8.767 -0.266 1
1 424 . 16 1 1 A 37 37 ASN HA H 37 4.702 4.716 -0.014 1
1 429 . 16 1 1 A 37 37 ASN C C 37 174.609 173.275 1.334 1
1 430 . 16 1 1 A 37 37 ASN CA C 37 53.143 52.973 0.170 1
1 431 . 16 1 1 A 37 37 ASN CB C 37 38.957 36.444 2.513 1
1 432 . 16 1 1 A 37 37 ASN N N 37 123.292 117.860 5.432 1
1 434 . 16 1 1 A 38 38 ASP H H 38 8.326 8.158 0.168 1
1 435 . 16 1 1 A 38 38 ASP HA H 38 4.562 5.184 -0.622 1
1 438 . 16 1 1 A 38 38 ASP C C 38 176.188 174.568 1.620 1
1 439 . 16 1 1 A 38 38 ASP CA C 38 54.218 52.890 1.328 1
1 440 . 16 1 1 A 38 38 ASP CB C 38 41.133 42.095 -0.962 1
1 441 . 16 1 1 A 38 38 ASP N N 38 121.317 121.913 -0.596 1
1 442 . 16 1 1 A 39 39 LEU H H 39 8.188 8.743 -0.555 1
1 443 . 16 1 1 A 39 39 LEU HA H 39 4.242 5.157 -0.915 1
1 453 . 16 1 1 A 39 39 LEU C C 39 177.515 175.893 1.622 1
1 454 . 16 1 1 A 39 39 LEU CA C 39 55.501 52.892 2.609 1
1 455 . 16 1 1 A 39 39 LEU CB C 39 42.030 44.712 -2.682 1
1 459 . 16 1 1 A 39 39 LEU N N 39 122.367 122.364 0.003 1
1 460 . 16 1 1 A 40 40 HIS H H 40 8.418 9.013 -0.595 1
1 461 . 16 1 1 A 40 40 HIS HA H 40 4.636 4.750 -0.114 1
1 466 . 16 1 1 A 40 40 HIS C C 40 175.495 174.797 0.698 1
1 467 . 16 1 1 A 40 40 HIS CA C 40 55.920 54.393 1.527 1
1 468 . 16 1 1 A 40 40 HIS CB C 40 29.633 27.544 2.089 1
1 471 . 16 1 1 A 40 40 HIS N N 40 118.989 120.365 -1.376 1
1 474 . 16 1 1 A 41 41 GLY H H 41 8.258 8.492 -0.234 1
1 475 . 16 1 1 A 41 41 GLY HA2 H 41 3.969 3.908 0.061 1
1 476 . 16 1 1 A 41 41 GLY HA3 H 41 3.952 3.926 0.026 1
1 477 . 16 1 1 A 41 41 GLY C C 41 174.007 172.169 1.838 1
1 478 . 16 1 1 A 41 41 GLY CA C 41 45.363 45.195 0.168 1
1 479 . 16 1 1 A 41 41 GLY N N 41 109.714 109.792 -0.078 1
1 480 . 16 1 1 A 42 42 GLU H H 42 8.406 8.632 -0.226 1
1 481 . 16 1 1 A 42 42 GLU HA H 42 4.378 5.035 -0.657 1
1 486 . 16 1 1 A 42 42 GLU C C 42 176.668 176.414 0.254 1
1 487 . 16 1 1 A 42 42 GLU CA C 42 56.278 55.024 1.254 1
1 488 . 16 1 1 A 42 42 GLU CB C 42 30.473 32.551 -2.078 1
1 490 . 16 1 1 A 42 42 GLU N N 42 120.561 121.967 -1.406 1
1 491 . 16 1 1 A 43 43 GLY H H 43 8.284 8.434 -0.150 1
1 492 . 16 1 1 A 43 43 GLY HA2 H 43 4.100 4.088 0.012 1
1 493 . 16 1 1 A 43 43 GLY HA3 H 43 4.099 4.089 0.010 1
1 494 . 16 1 1 A 43 43 GLY C C 43 171.027 174.071 -3.044 1
1 495 . 16 1 1 A 43 43 GLY CA C 43 44.399 44.383 0.016 1
1 496 . 16 1 1 A 43 43 GLY N N 43 110.014 114.313 -4.299 1
1 498 . 16 1 1 A 47 47 PRO C C 47 176.172 175.313 0.859 1
1 499 . 16 1 1 A 47 47 PRO CB C 47 32.134 29.306 2.828 1
1 500 . 16 1 1 A 48 48 VAL H H 48 8.585 8.397 0.188 1
1 501 . 16 1 1 A 48 48 VAL HA H 48 4.438 4.894 -0.456 1
1 508 . 16 1 1 A 48 48 VAL C C 48 174.309 173.792 0.517 1
1 509 . 16 1 1 A 48 48 VAL CA C 48 59.190 58.265 0.925 1
1 512 . 16 1 1 A 48 48 VAL N N 48 125.965 117.593 8.372 1
1 513 . 16 1 1 A 50 50 PRO HA H 50 4.353 4.416 -0.063 1
1 520 . 16 1 1 A 50 50 PRO C C 50 176.824 177.095 -0.271 1
1 521 . 16 1 1 A 50 50 PRO CA C 50 63.194 64.427 -1.233 1
1 522 . 16 1 1 A 50 50 PRO CB C 50 32.006 31.724 0.282 1
1 525 . 16 1 1 A 51 51 ALA H H 51 8.301 7.896 0.405 1
1 526 . 16 1 1 A 51 51 ALA HA H 51 4.241 4.286 -0.045 1
1 530 . 16 1 1 A 51 51 ALA C C 51 177.617 177.798 -0.181 1
1 531 . 16 1 1 A 51 51 ALA CA C 51 52.717 52.846 -0.129 1
1 532 . 16 1 1 A 51 51 ALA CB C 51 19.211 19.333 -0.122 1
1 533 . 16 1 1 A 51 51 ALA N N 51 122.996 118.538 4.458 1
1 534 . 16 1 1 A 52 52 GLN H H 52 8.165 7.582 0.583 1
1 535 . 16 1 1 A 52 52 GLN HA H 52 4.266 4.409 -0.143 1
1 542 . 16 1 1 A 52 52 GLN C C 52 175.394 175.412 -0.018 1
1 543 . 16 1 1 A 52 52 GLN CA C 52 55.582 57.120 -1.538 1
1 544 . 16 1 1 A 52 52 GLN CB C 52 29.636 29.109 0.527 1
1 546 . 16 1 1 A 52 52 GLN N N 52 118.178 118.613 -0.435 1
1 548 . 16 1 1 A 53 53 HIS H H 53 8.395 9.092 -0.697 1
1 549 . 16 1 1 A 53 53 HIS HA H 53 4.872 4.781 0.091 1
1 554 . 16 1 1 A 53 53 HIS C C 53 173.260 175.578 -2.318 1
1 555 . 16 1 1 A 53 53 HIS CA C 53 54.036 54.641 -0.605 1
1 556 . 16 1 1 A 53 53 HIS CB C 53 29.841 30.441 -0.600 1
1 559 . 16 1 1 A 53 53 HIS N N 53 121.522 121.235 0.287 1
1 562 . 16 1 1 A 54 54 PRO HA H 54 4.547 4.227 0.320 1
1 569 . 16 1 1 A 54 54 PRO C C 54 176.605 176.969 -0.364 1
1 570 . 16 1 1 A 54 54 PRO CA C 54 62.997 65.169 -2.172 1
1 571 . 16 1 1 A 54 54 PRO CB C 54 32.349 31.846 0.503 1
1 574 . 16 1 1 A 55 55 ASN H H 55 8.646 8.164 0.482 1
1 575 . 16 1 1 A 55 55 ASN HA H 55 4.969 4.424 0.545 1
1 580 . 16 1 1 A 55 55 ASN C C 55 171.312 176.022 -4.710 1
1 581 . 16 1 1 A 55 55 ASN CA C 55 50.412 53.611 -3.199 1
1 582 . 16 1 1 A 55 55 ASN CB C 55 39.150 36.904 2.246 1
1 583 . 16 1 1 A 55 55 ASN N N 55 119.583 114.077 5.506 1
1 585 . 16 1 1 A 56 56 PRO HA H 56 4.400 4.399 0.001 1
1 592 . 16 1 1 A 56 56 PRO C C 56 176.686 176.428 0.258 1
1 593 . 16 1 1 A 56 56 PRO CA C 56 63.273 64.344 -1.071 1
1 594 . 16 1 1 A 56 56 PRO CB C 56 31.783 31.499 0.284 1
1 597 . 16 1 1 A 57 57 CYS H H 57 7.831 8.044 -0.213 1
1 598 . 16 1 1 A 57 57 CYS HA H 57 4.443 4.647 -0.204 1
1 601 . 16 1 1 A 57 57 CYS C C 57 173.881 172.134 1.747 1
1 602 . 16 1 1 A 57 57 CYS CA C 57 59.103 55.606 3.497 1
1 603 . 16 1 1 A 57 57 CYS CB C 57 32.909 42.916 -10.007 1
1 604 . 16 1 1 A 57 57 CYS N N 57 119.502 117.985 1.517 1
1 605 . 16 1 1 A 59 59 PRO HA H 59 4.385 4.289 0.096 1
1 612 . 16 1 1 A 59 59 PRO C C 59 177.996 177.217 0.779 1
1 613 . 16 1 1 A 59 59 PRO CA C 59 64.249 63.901 0.348 1
1 614 . 16 1 1 A 59 59 PRO CB C 59 31.776 31.508 0.268 1
1 617 . 16 1 1 A 60 60 GLY H H 60 8.761 8.927 -0.166 1
1 618 . 16 1 1 A 60 60 GLY HA2 H 60 4.302 3.850 0.452 1
1 619 . 16 1 1 A 60 60 GLY HA3 H 60 3.619 3.888 -0.269 1
1 620 . 16 1 1 A 60 60 GLY C C 60 173.861 174.422 -0.561 1
1 621 . 16 1 1 A 60 60 GLY CA C 60 44.888 45.214 -0.326 1
1 622 . 16 1 1 A 60 60 GLY N N 60 112.485 112.570 -0.085 1
1 623 . 16 1 1 A 61 61 TYR H H 61 8.522 8.091 0.431 1
1 624 . 16 1 1 A 61 61 TYR HA H 61 5.083 4.640 0.443 1
1 631 . 16 1 1 A 61 61 TYR C C 61 174.910 175.619 -0.709 1
1 632 . 16 1 1 A 61 61 TYR CA C 61 56.152 57.884 -1.732 1
1 633 . 16 1 1 A 61 61 TYR CB C 61 42.124 40.557 1.567 1
1 638 . 16 1 1 A 61 61 TYR N N 61 118.801 119.876 -1.075 1
1 639 . 16 1 1 A 62 62 GLU H H 62 9.129 9.517 -0.388 1
1 640 . 16 1 1 A 62 62 GLU HA H 62 4.962 4.963 -0.001 1
1 645 . 16 1 1 A 62 62 GLU C C 62 173.115 173.780 -0.665 1
1 646 . 16 1 1 A 62 62 GLU CA C 62 53.654 53.786 -0.132 1
1 647 . 16 1 1 A 62 62 GLU CB C 62 31.928 32.723 -0.795 1
1 649 . 16 1 1 A 62 62 GLU N N 62 118.016 119.609 -1.593 1
1 650 . 16 1 1 A 63 63 PRO HA H 63 4.743 4.863 -0.120 1
1 657 . 16 1 1 A 63 63 PRO C C 63 177.040 175.509 1.531 1
1 658 . 16 1 1 A 63 63 PRO CA C 63 63.759 62.488 1.271 1
1 659 . 16 1 1 A 63 63 PRO CB C 63 32.352 31.770 0.582 1
1 662 . 16 1 1 A 64 64 ASP H H 64 8.595 8.464 0.131 1
1 663 . 16 1 1 A 64 64 ASP HA H 64 4.679 4.901 -0.222 1
1 666 . 16 1 1 A 64 64 ASP C C 64 175.960 174.527 1.433 1
1 667 . 16 1 1 A 64 64 ASP CA C 64 53.790 52.989 0.801 1
1 668 . 16 1 1 A 64 64 ASP CB C 64 42.611 42.553 0.058 1
1 669 . 16 1 1 A 64 64 ASP N N 64 122.807 122.441 0.366 1
1 670 . 16 1 1 A 65 65 ASP H H 65 8.437 8.837 -0.400 1
1 671 . 16 1 1 A 65 65 ASP HA H 65 4.701 4.907 -0.206 1
1 674 . 16 1 1 A 65 65 ASP C C 65 176.412 175.497 0.915 1
1 675 . 16 1 1 A 65 65 ASP CA C 65 54.043 54.048 -0.005 1
1 676 . 16 1 1 A 65 65 ASP CB C 65 41.279 41.498 -0.219 1
1 677 . 16 1 1 A 65 65 ASP N N 65 124.473 126.564 -2.091 1
1 678 . 16 1 1 A 66 66 GLN H H 66 8.316 8.654 -0.338 1
1 679 . 16 1 1 A 66 66 GLN HA H 66 4.290 5.003 -0.713 1
1 686 . 16 1 1 A 66 66 GLN C C 66 175.877 173.982 1.895 1
1 687 . 16 1 1 A 66 66 GLN CA C 66 55.992 54.686 1.306 1
1 688 . 16 1 1 A 66 66 GLN CB C 66 29.565 30.458 -0.893 1
1 690 . 16 1 1 A 66 66 GLN N N 66 120.317 123.588 -3.271 1
1 692 . 16 1 1 A 67 67 ASP H H 67 8.438 8.964 -0.526 1
1 693 . 16 1 1 A 67 67 ASP HA H 67 4.619 4.675 -0.056 1
1 696 . 16 1 1 A 67 67 ASP C C 67 176.300 175.187 1.113 1
1 697 . 16 1 1 A 67 67 ASP CA C 67 54.535 53.906 0.629 1
1 698 . 16 1 1 A 67 67 ASP CB C 67 41.210 39.203 2.007 1
1 699 . 16 1 1 A 67 67 ASP N N 67 121.942 126.247 -4.305 1
1 700 . 16 1 1 A 68 68 SER H H 68 8.274 8.413 -0.139 1
1 701 . 16 1 1 A 68 68 SER HA H 68 4.476 4.292 0.184 1
1 704 . 16 1 1 A 68 68 SER C C 68 174.516 174.178 0.338 1
1 705 . 16 1 1 A 68 68 SER CA C 68 58.615 59.656 -1.041 1
1 706 . 16 1 1 A 68 68 SER CB C 68 63.911 62.367 1.544 1
1 707 . 16 1 1 A 68 68 SER N N 68 116.099 118.325 -2.226 1
1 708 . 16 1 1 A 69 69 CYS H H 69 8.589 8.511 0.078 1
1 709 . 16 1 1 A 69 69 CYS HA H 69 4.719 4.248 0.471 1
1 712 . 16 1 1 A 69 69 CYS C C 69 174.437 174.349 0.088 1
1 713 . 16 1 1 A 69 69 CYS CA C 69 55.620 60.502 -4.882 1
1 714 . 16 1 1 A 69 69 CYS CB C 69 40.727 41.862 -1.135 1
1 715 . 16 1 1 A 69 69 CYS N N 69 120.951 125.522 -4.571 1
1 716 . 16 1 1 A 70 70 VAL H H 70 8.150 7.512 0.638 1
1 717 . 16 1 1 A 70 70 VAL HA H 70 4.193 4.116 0.077 1
1 725 . 16 1 1 A 70 70 VAL C C 70 174.771 174.680 0.091 1
1 726 . 16 1 1 A 70 70 VAL CA C 70 62.021 62.395 -0.374 1
1 727 . 16 1 1 A 70 70 VAL CB C 70 33.168 32.003 1.165 1
1 730 . 16 1 1 A 70 70 VAL N N 70 120.979 120.629 0.350 1
1 2 . 17 1 1 A 2 2 ASP H H 2 8.270 8.271 -0.001 1
1 3 . 17 1 1 A 2 2 ASP HA H 2 4.706 4.694 0.012 1
1 6 . 17 1 1 A 2 2 ASP C C 2 176.240 175.665 0.575 1
1 7 . 17 1 1 A 2 2 ASP CA C 2 54.448 53.282 1.166 1
1 8 . 17 1 1 A 2 2 ASP CB C 2 41.396 39.686 1.710 1
1 9 . 17 1 1 A 2 2 ASP N N 2 116.604 119.432 -2.828 1
1 10 . 17 1 1 A 3 3 VAL H H 3 8.197 7.837 0.360 1
1 11 . 17 1 1 A 3 3 VAL HA H 3 4.090 3.697 0.393 1
1 19 . 17 1 1 A 3 3 VAL C C 3 175.880 174.419 1.461 1
1 20 . 17 1 1 A 3 3 VAL CA C 3 62.509 62.723 -0.214 1
1 21 . 17 1 1 A 3 3 VAL CB C 3 32.701 29.860 2.841 1
1 24 . 17 1 1 A 3 3 VAL N N 3 119.871 113.791 6.080 1
1 25 . 17 1 1 A 4 4 ASN H H 4 8.502 7.352 1.150 1
1 26 . 17 1 1 A 4 4 ASN HA H 4 4.700 5.082 -0.382 1
1 31 . 17 1 1 A 4 4 ASN C C 4 175.378 173.716 1.662 1
1 32 . 17 1 1 A 4 4 ASN CA C 4 53.427 52.985 0.442 1
1 33 . 17 1 1 A 4 4 ASN CB C 4 39.212 42.983 -3.771 1
1 34 . 17 1 1 A 4 4 ASN N N 4 121.932 119.800 2.132 1
1 36 . 17 1 1 A 5 5 GLU H H 5 8.453 8.736 -0.283 1
1 37 . 17 1 1 A 5 5 GLU HA H 5 4.281 4.550 -0.269 1
1 42 . 17 1 1 A 5 5 GLU C C 5 176.502 177.516 -1.014 1
1 43 . 17 1 1 A 5 5 GLU CA C 5 56.925 55.189 1.736 1
1 44 . 17 1 1 A 5 5 GLU CB C 5 30.226 31.187 -0.961 1
1 46 . 17 1 1 A 5 5 GLU N N 5 122.108 123.444 -1.336 1
1 47 . 17 1 1 A 6 6 CYS H H 6 8.519 8.571 -0.052 1
1 48 . 17 1 1 A 6 6 CYS HA H 6 4.605 4.568 0.037 1
1 51 . 17 1 1 A 6 6 CYS C C 6 174.876 174.795 0.081 1
1 52 . 17 1 1 A 6 6 CYS CA C 6 56.068 56.222 -0.154 1
1 53 . 17 1 1 A 6 6 CYS CB C 6 40.544 41.719 -1.175 1
1 54 . 17 1 1 A 6 6 CYS N N 6 119.657 118.547 1.110 1
1 55 . 17 1 1 A 7 7 LEU H H 7 8.372 7.785 0.587 1
1 56 . 17 1 1 A 7 7 LEU HA H 7 4.361 4.251 0.110 1
1 66 . 17 1 1 A 7 7 LEU C C 7 177.534 176.827 0.707 1
1 67 . 17 1 1 A 7 7 LEU CA C 7 55.778 56.156 -0.378 1
1 68 . 17 1 1 A 7 7 LEU CB C 7 42.554 42.090 0.464 1
1 72 . 17 1 1 A 7 7 LEU N N 7 123.198 116.571 6.627 1
1 73 . 17 1 1 A 8 8 THR H H 8 8.018 7.591 0.427 1
1 74 . 17 1 1 A 8 8 THR HA H 8 4.332 4.282 0.050 1
1 79 . 17 1 1 A 8 8 THR C C 8 174.296 174.319 -0.023 1
1 80 . 17 1 1 A 8 8 THR CA C 8 61.745 62.071 -0.326 1
1 81 . 17 1 1 A 8 8 THR CB C 8 69.529 69.714 -0.185 1
1 83 . 17 1 1 A 8 8 THR N N 8 113.232 116.281 -3.049 1
1 84 . 17 1 1 A 9 9 ILE H H 9 7.827 8.448 -0.621 1
1 85 . 17 1 1 A 9 9 ILE HA H 9 4.472 4.568 -0.096 1
1 95 . 17 1 1 A 9 9 ILE C C 9 174.443 174.942 -0.499 1
1 96 . 17 1 1 A 9 9 ILE CA C 9 58.355 57.509 0.846 1
1 97 . 17 1 1 A 9 9 ILE CB C 9 38.496 38.275 0.221 1
1 101 . 17 1 1 A 9 9 ILE N N 9 123.285 124.780 -1.495 1
1 102 . 17 1 1 A 10 10 PRO HA H 10 4.351 4.604 -0.253 1
1 109 . 17 1 1 A 10 10 PRO C C 10 177.207 177.143 0.064 1
1 110 . 17 1 1 A 10 10 PRO CA C 10 63.599 62.206 1.393 1
1 111 . 17 1 1 A 10 10 PRO CB C 10 31.965 29.274 2.691 1
1 114 . 17 1 1 A 11 11 GLU H H 11 8.555 8.757 -0.202 1
1 115 . 17 1 1 A 11 11 GLU HA H 11 4.053 4.147 -0.094 1
1 120 . 17 1 1 A 11 11 GLU C C 11 176.353 176.750 -0.397 1
1 121 . 17 1 1 A 11 11 GLU CA C 11 56.955 57.608 -0.653 1
1 122 . 17 1 1 A 11 11 GLU CB C 11 29.589 29.922 -0.333 1
1 124 . 17 1 1 A 11 11 GLU N N 11 120.562 122.585 -2.023 1
1 125 . 17 1 1 A 12 12 ALA H H 12 8.089 7.604 0.485 1
1 126 . 17 1 1 A 12 12 ALA HA H 12 4.233 4.435 -0.202 1
1 130 . 17 1 1 A 12 12 ALA C C 12 178.135 176.704 1.431 1
1 131 . 17 1 1 A 12 12 ALA CA C 12 53.092 52.098 0.994 1
1 132 . 17 1 1 A 12 12 ALA CB C 12 19.570 20.810 -1.240 1
1 133 . 17 1 1 A 12 12 ALA N N 12 123.927 121.391 2.536 1
1 134 . 17 1 1 A 13 13 CYS H H 13 8.725 8.700 0.025 1
1 135 . 17 1 1 A 13 13 CYS HA H 13 4.816 5.247 -0.431 1
1 138 . 17 1 1 A 13 13 CYS C C 13 175.490 173.385 2.105 1
1 139 . 17 1 1 A 13 13 CYS CA C 13 52.752 54.681 -1.929 1
1 140 . 17 1 1 A 13 13 CYS CB C 13 36.168 43.608 -7.440 1
1 141 . 17 1 1 A 13 13 CYS N N 13 114.120 118.443 -4.323 1
1 142 . 17 1 1 A 14 14 LYS H H 14 8.246 8.694 -0.448 1
1 143 . 17 1 1 A 14 14 LYS HA H 14 4.027 4.020 0.007 1
1 152 . 17 1 1 A 14 14 LYS C C 14 177.863 177.551 0.312 1
1 153 . 17 1 1 A 14 14 LYS CA C 14 58.289 58.061 0.228 1
1 154 . 17 1 1 A 14 14 LYS CB C 14 31.489 32.332 -0.843 1
1 158 . 17 1 1 A 14 14 LYS N N 14 121.767 125.772 -4.005 1
1 159 . 17 1 1 A 15 15 GLY H H 15 8.979 8.725 0.254 1
1 160 . 17 1 1 A 15 15 GLY HA2 H 15 4.161 3.921 0.240 1
1 161 . 17 1 1 A 15 15 GLY HA3 H 15 3.765 3.922 -0.157 1
1 162 . 17 1 1 A 15 15 GLY C C 15 173.903 173.421 0.482 1
1 163 . 17 1 1 A 15 15 GLY CA C 15 45.603 45.492 0.111 1
1 164 . 17 1 1 A 15 15 GLY N N 15 113.508 114.353 -0.845 1
1 165 . 17 1 1 A 16 16 GLU H H 16 8.027 7.585 0.442 1
1 166 . 17 1 1 A 16 16 GLU HA H 16 4.555 4.838 -0.283 1
1 171 . 17 1 1 A 16 16 GLU C C 16 174.310 175.366 -1.056 1
1 172 . 17 1 1 A 16 16 GLU CA C 16 55.213 54.516 0.697 1
1 173 . 17 1 1 A 16 16 GLU CB C 16 31.839 33.540 -1.701 1
1 175 . 17 1 1 A 16 16 GLU N N 16 120.692 119.218 1.474 1
1 176 . 17 1 1 A 17 17 MET H H 17 8.943 8.743 0.200 1
1 177 . 17 1 1 A 17 17 MET HA H 17 4.584 5.018 -0.434 1
1 185 . 17 1 1 A 17 17 MET C C 17 173.801 175.233 -1.432 1
1 186 . 17 1 1 A 17 17 MET CA C 17 55.183 54.495 0.688 1
1 187 . 17 1 1 A 17 17 MET CB C 17 34.221 33.035 1.186 1
1 190 . 17 1 1 A 17 17 MET N N 17 120.713 120.300 0.413 1
1 191 . 17 1 1 A 18 18 LYS H H 18 8.789 8.624 0.165 1
1 192 . 17 1 1 A 18 18 LYS HA H 18 5.083 4.653 0.430 1
1 201 . 17 1 1 A 18 18 LYS C C 18 175.138 174.531 0.607 1
1 202 . 17 1 1 A 18 18 LYS CA C 18 55.726 55.630 0.096 1
1 203 . 17 1 1 A 18 18 LYS CB C 18 35.053 33.388 1.665 1
1 207 . 17 1 1 A 18 18 LYS N N 18 127.261 124.455 2.806 1
1 208 . 17 1 1 A 19 19 CYS H H 19 9.132 9.156 -0.024 1
1 209 . 17 1 1 A 19 19 CYS HA H 19 5.273 5.411 -0.138 1
1 212 . 17 1 1 A 19 19 CYS C C 19 174.193 173.217 0.976 1
1 213 . 17 1 1 A 19 19 CYS CA C 19 54.753 54.569 0.184 1
1 214 . 17 1 1 A 19 19 CYS CB C 19 43.915 43.660 0.255 1
1 215 . 17 1 1 A 19 19 CYS N N 19 126.193 125.200 0.993 1
1 216 . 17 1 1 A 20 20 ILE H H 20 10.001 8.940 1.061 1
1 217 . 17 1 1 A 20 20 ILE HA H 20 5.483 5.791 -0.308 1
1 227 . 17 1 1 A 20 20 ILE C C 20 176.355 174.514 1.841 1
1 228 . 17 1 1 A 20 20 ILE CA C 20 59.977 59.023 0.954 1
1 229 . 17 1 1 A 20 20 ILE CB C 20 42.458 42.415 0.043 1
1 233 . 17 1 1 A 20 20 ILE N N 20 119.415 119.697 -0.282 1
1 234 . 17 1 1 A 21 21 ASN H H 21 8.092 8.271 -0.179 1
1 235 . 17 1 1 A 21 21 ASN HA H 21 4.906 5.298 -0.392 1
1 240 . 17 1 1 A 21 21 ASN CA C 21 50.729 51.092 -0.363 1
1 241 . 17 1 1 A 21 21 ASN CB C 21 38.492 41.935 -3.443 1
1 245 . 17 1 1 A 22 22 HIS C C 22 174.724 176.710 -1.986 1
1 250 . 17 1 1 A 23 23 TYR H H 23 7.932 7.903 0.029 1
1 251 . 17 1 1 A 23 23 TYR HA H 23 4.785 4.479 0.306 1
1 258 . 17 1 1 A 23 23 TYR C C 23 176.186 175.744 0.442 1
1 259 . 17 1 1 A 23 23 TYR CA C 23 56.891 58.295 -1.404 1
1 260 . 17 1 1 A 23 23 TYR CB C 23 38.509 38.640 -0.131 1
1 265 . 17 1 1 A 23 23 TYR N N 23 117.160 117.689 -0.529 1
1 266 . 17 1 1 A 24 24 GLY HA2 H 24 4.411 4.093 0.318 1
1 267 . 17 1 1 A 24 24 GLY HA3 H 24 3.674 4.102 -0.428 1
1 268 . 17 1 1 A 24 24 GLY C C 24 174.895 174.921 -0.026 1
1 269 . 17 1 1 A 24 24 GLY CA C 24 45.377 45.087 0.290 1
1 270 . 17 1 1 A 25 25 GLY H H 25 8.418 8.290 0.128 1
1 271 . 17 1 1 A 25 25 GLY HA2 H 25 4.461 4.089 0.372 1
1 272 . 17 1 1 A 25 25 GLY HA3 H 25 3.737 4.185 -0.448 1
1 273 . 17 1 1 A 25 25 GLY C C 25 172.832 171.865 0.967 1
1 274 . 17 1 1 A 25 25 GLY CA C 25 44.602 45.837 -1.235 1
1 275 . 17 1 1 A 25 25 GLY N N 25 110.337 108.678 1.659 1
1 276 . 17 1 1 A 26 26 TYR H H 26 8.256 8.939 -0.683 1
1 277 . 17 1 1 A 26 26 TYR HA H 26 6.053 5.328 0.725 1
1 284 . 17 1 1 A 26 26 TYR C C 26 173.625 174.182 -0.557 1
1 285 . 17 1 1 A 26 26 TYR CA C 26 55.921 56.405 -0.484 1
1 286 . 17 1 1 A 26 26 TYR CB C 26 42.690 41.466 1.224 1
1 291 . 17 1 1 A 26 26 TYR N N 26 116.601 124.859 -8.258 1
1 292 . 17 1 1 A 27 27 LEU H H 27 9.227 8.538 0.689 1
1 293 . 17 1 1 A 27 27 LEU HA H 27 4.437 4.614 -0.177 1
1 303 . 17 1 1 A 27 27 LEU C C 27 175.019 175.203 -0.184 1
1 304 . 17 1 1 A 27 27 LEU CA C 27 53.999 53.137 0.862 1
1 305 . 17 1 1 A 27 27 LEU CB C 27 46.334 45.581 0.753 1
1 309 . 17 1 1 A 27 27 LEU N N 27 121.005 127.134 -6.129 1
1 310 . 17 1 1 A 28 28 CYS H H 28 8.801 8.718 0.083 1
1 311 . 17 1 1 A 28 28 CYS HA H 28 5.730 5.727 0.003 1
1 314 . 17 1 1 A 28 28 CYS C C 28 174.452 172.741 1.711 1
1 315 . 17 1 1 A 28 28 CYS CA C 28 51.978 54.584 -2.606 1
1 316 . 17 1 1 A 28 28 CYS CB C 28 37.734 43.970 -6.236 1
1 317 . 17 1 1 A 28 28 CYS N N 28 120.613 120.525 0.088 1
1 318 . 17 1 1 A 29 29 LEU H H 29 9.371 9.067 0.304 1
1 319 . 17 1 1 A 29 29 LEU HA H 29 4.891 4.701 0.190 1
1 329 . 17 1 1 A 29 29 LEU C C 29 173.339 174.354 -1.015 1
1 330 . 17 1 1 A 29 29 LEU CA C 29 51.743 51.684 0.059 1
1 331 . 17 1 1 A 29 29 LEU CB C 29 44.633 43.080 1.553 1
1 335 . 17 1 1 A 29 29 LEU N N 29 127.550 126.224 1.326 1
1 336 . 17 1 1 A 30 30 PRO HA H 30 4.478 4.504 -0.026 1
1 343 . 17 1 1 A 30 30 PRO C C 30 177.206 177.189 0.017 1
1 344 . 17 1 1 A 30 30 PRO CA C 30 62.730 63.160 -0.430 1
1 345 . 17 1 1 A 30 30 PRO CB C 30 31.984 32.313 -0.329 1
1 348 . 17 1 1 A 31 31 ARG H H 31 8.856 8.882 -0.026 1
1 349 . 17 1 1 A 31 31 ARG HA H 31 4.189 4.294 -0.105 1
1 357 . 17 1 1 A 31 31 ARG C C 31 176.891 177.717 -0.826 1
1 358 . 17 1 1 A 31 31 ARG CA C 31 56.964 57.019 -0.055 1
1 359 . 17 1 1 A 31 31 ARG CB C 31 30.633 30.107 0.526 1
1 362 . 17 1 1 A 31 31 ARG N N 31 121.660 124.675 -3.015 1
1 364 . 17 1 1 A 32 32 SER H H 32 8.318 7.966 0.352 1
1 365 . 17 1 1 A 32 32 SER HA H 32 4.389 4.266 0.123 1
1 368 . 17 1 1 A 32 32 SER C C 32 174.251 174.995 -0.744 1
1 369 . 17 1 1 A 32 32 SER CA C 32 58.238 61.467 -3.229 1
1 370 . 17 1 1 A 32 32 SER CB C 32 63.821 62.996 0.825 1
1 371 . 17 1 1 A 32 32 SER N N 32 116.432 115.024 1.408 1
1 372 . 17 1 1 A 33 33 ALA H H 33 8.353 7.513 0.840 1
1 373 . 17 1 1 A 33 33 ALA HA H 33 4.307 4.391 -0.084 1
1 377 . 17 1 1 A 33 33 ALA C C 33 177.290 177.032 0.258 1
1 378 . 17 1 1 A 33 33 ALA CA C 33 52.515 51.688 0.827 1
1 379 . 17 1 1 A 33 33 ALA CB C 33 19.358 20.201 -0.843 1
1 380 . 17 1 1 A 33 33 ALA N N 33 126.203 122.516 3.687 1
1 381 . 17 1 1 A 34 34 ALA H H 34 8.178 8.754 -0.576 1
1 382 . 17 1 1 A 34 34 ALA HA H 34 4.280 4.528 -0.248 1
1 386 . 17 1 1 A 34 34 ALA C C 34 177.519 178.747 -1.228 1
1 387 . 17 1 1 A 34 34 ALA CA C 34 52.480 51.520 0.960 1
1 388 . 17 1 1 A 34 34 ALA CB C 34 19.250 19.727 -0.477 1
1 389 . 17 1 1 A 34 34 ALA N N 34 123.091 123.462 -0.371 1
1 390 . 17 1 1 A 35 35 VAL H H 35 8.083 8.554 -0.471 1
1 391 . 17 1 1 A 35 35 VAL HA H 35 4.060 4.202 -0.142 1
1 399 . 17 1 1 A 35 35 VAL C C 35 176.050 175.495 0.555 1
1 400 . 17 1 1 A 35 35 VAL CA C 35 62.297 61.304 0.993 1
1 401 . 17 1 1 A 35 35 VAL CB C 35 32.695 31.320 1.375 1
1 404 . 17 1 1 A 35 35 VAL N N 35 120.060 118.558 1.502 1
1 405 . 17 1 1 A 36 36 ILE H H 36 8.264 7.618 0.646 1
1 406 . 17 1 1 A 36 36 ILE HA H 36 4.141 4.834 -0.693 1
1 416 . 17 1 1 A 36 36 ILE C C 36 175.848 175.324 0.524 1
1 417 . 17 1 1 A 36 36 ILE CA C 36 60.924 59.049 1.875 1
1 418 . 17 1 1 A 36 36 ILE CB C 36 38.614 40.356 -1.742 1
1 422 . 17 1 1 A 36 36 ILE N N 36 125.147 119.634 5.513 1
1 423 . 17 1 1 A 37 37 ASN H H 37 8.501 8.897 -0.396 1
1 424 . 17 1 1 A 37 37 ASN HA H 37 4.702 4.762 -0.060 1
1 429 . 17 1 1 A 37 37 ASN C C 37 174.609 174.606 0.003 1
1 430 . 17 1 1 A 37 37 ASN CA C 37 53.143 52.773 0.370 1
1 431 . 17 1 1 A 37 37 ASN CB C 37 38.957 36.990 1.967 1
1 432 . 17 1 1 A 37 37 ASN N N 37 123.292 118.933 4.359 1
1 434 . 17 1 1 A 38 38 ASP H H 38 8.326 8.229 0.097 1
1 435 . 17 1 1 A 38 38 ASP HA H 38 4.562 4.183 0.379 1
1 438 . 17 1 1 A 38 38 ASP C C 38 176.188 174.667 1.521 1
1 439 . 17 1 1 A 38 38 ASP CA C 38 54.218 54.852 -0.634 1
1 440 . 17 1 1 A 38 38 ASP CB C 38 41.133 39.226 1.907 1
1 441 . 17 1 1 A 38 38 ASP N N 38 121.317 117.796 3.521 1
1 442 . 17 1 1 A 39 39 LEU H H 39 8.188 7.842 0.346 1
1 443 . 17 1 1 A 39 39 LEU HA H 39 4.242 5.042 -0.800 1
1 453 . 17 1 1 A 39 39 LEU C C 39 177.515 174.567 2.948 1
1 454 . 17 1 1 A 39 39 LEU CA C 39 55.501 53.374 2.127 1
1 455 . 17 1 1 A 39 39 LEU CB C 39 42.030 46.114 -4.084 1
1 459 . 17 1 1 A 39 39 LEU N N 39 122.367 120.399 1.968 1
1 460 . 17 1 1 A 40 40 HIS H H 40 8.418 8.535 -0.117 1
1 461 . 17 1 1 A 40 40 HIS HA H 40 4.636 4.969 -0.333 1
1 466 . 17 1 1 A 40 40 HIS C C 40 175.495 176.302 -0.807 1
1 467 . 17 1 1 A 40 40 HIS CA C 40 55.920 53.817 2.103 1
1 468 . 17 1 1 A 40 40 HIS CB C 40 29.633 33.270 -3.637 1
1 471 . 17 1 1 A 40 40 HIS N N 40 118.989 116.092 2.897 1
1 474 . 17 1 1 A 41 41 GLY H H 41 8.258 8.793 -0.535 1
1 475 . 17 1 1 A 41 41 GLY HA2 H 41 3.969 3.761 0.208 1
1 476 . 17 1 1 A 41 41 GLY HA3 H 41 3.952 3.766 0.186 1
1 477 . 17 1 1 A 41 41 GLY C C 41 174.007 174.668 -0.661 1
1 478 . 17 1 1 A 41 41 GLY CA C 41 45.363 47.672 -2.309 1
1 479 . 17 1 1 A 41 41 GLY N N 41 109.714 110.495 -0.781 1
1 480 . 17 1 1 A 42 42 GLU H H 42 8.406 7.789 0.617 1
1 481 . 17 1 1 A 42 42 GLU HA H 42 4.378 4.676 -0.298 1
1 486 . 17 1 1 A 42 42 GLU C C 42 176.668 175.542 1.126 1
1 487 . 17 1 1 A 42 42 GLU CA C 42 56.278 56.022 0.256 1
1 488 . 17 1 1 A 42 42 GLU CB C 42 30.473 30.832 -0.359 1
1 490 . 17 1 1 A 42 42 GLU N N 42 120.561 120.459 0.102 1
1 491 . 17 1 1 A 43 43 GLY H H 43 8.284 8.442 -0.158 1
1 492 . 17 1 1 A 43 43 GLY HA2 H 43 4.100 4.112 -0.012 1
1 493 . 17 1 1 A 43 43 GLY HA3 H 43 4.099 4.124 -0.025 1
1 494 . 17 1 1 A 43 43 GLY C C 43 171.027 173.135 -2.108 1
1 495 . 17 1 1 A 43 43 GLY CA C 43 44.399 44.273 0.126 1
1 496 . 17 1 1 A 43 43 GLY N N 43 110.014 112.737 -2.723 1
1 498 . 17 1 1 A 47 47 PRO C C 47 176.172 176.986 -0.814 1
1 499 . 17 1 1 A 47 47 PRO CB C 47 32.134 31.647 0.487 1
1 500 . 17 1 1 A 48 48 VAL H H 48 8.585 7.970 0.615 1
1 501 . 17 1 1 A 48 48 VAL HA H 48 4.438 4.511 -0.073 1
1 508 . 17 1 1 A 48 48 VAL C C 48 174.309 173.865 0.444 1
1 509 . 17 1 1 A 48 48 VAL CA C 48 59.190 59.499 -0.309 1
1 512 . 17 1 1 A 48 48 VAL N N 48 125.965 115.803 10.162 1
1 513 . 17 1 1 A 50 50 PRO HA H 50 4.353 4.387 -0.034 1
1 520 . 17 1 1 A 50 50 PRO C C 50 176.824 176.097 0.727 1
1 521 . 17 1 1 A 50 50 PRO CA C 50 63.194 64.743 -1.549 1
1 522 . 17 1 1 A 50 50 PRO CB C 50 32.006 32.128 -0.122 1
1 525 . 17 1 1 A 51 51 ALA H H 51 8.301 7.083 1.218 1
1 526 . 17 1 1 A 51 51 ALA HA H 51 4.241 4.596 -0.355 1
1 530 . 17 1 1 A 51 51 ALA C C 51 177.617 176.119 1.498 1
1 531 . 17 1 1 A 51 51 ALA CA C 51 52.717 50.940 1.777 1
1 532 . 17 1 1 A 51 51 ALA CB C 51 19.211 22.543 -3.332 1
1 533 . 17 1 1 A 51 51 ALA N N 51 122.996 116.099 6.897 1
1 534 . 17 1 1 A 52 52 GLN H H 52 8.165 8.665 -0.500 1
1 535 . 17 1 1 A 52 52 GLN HA H 52 4.266 4.427 -0.161 1
1 542 . 17 1 1 A 52 52 GLN C C 52 175.394 174.293 1.101 1
1 543 . 17 1 1 A 52 52 GLN CA C 52 55.582 56.211 -0.629 1
1 544 . 17 1 1 A 52 52 GLN CB C 52 29.636 29.140 0.496 1
1 546 . 17 1 1 A 52 52 GLN N N 52 118.178 118.273 -0.095 1
1 548 . 17 1 1 A 53 53 HIS H H 53 8.395 7.637 0.758 1
1 549 . 17 1 1 A 53 53 HIS HA H 53 4.872 4.960 -0.088 1
1 554 . 17 1 1 A 53 53 HIS C C 53 173.260 174.682 -1.422 1
1 555 . 17 1 1 A 53 53 HIS CA C 53 54.036 53.685 0.351 1
1 556 . 17 1 1 A 53 53 HIS CB C 53 29.841 32.053 -2.212 1
1 559 . 17 1 1 A 53 53 HIS N N 53 121.522 117.290 4.232 1
1 562 . 17 1 1 A 54 54 PRO HA H 54 4.547 4.241 0.306 1
1 569 . 17 1 1 A 54 54 PRO C C 54 176.605 176.884 -0.279 1
1 570 . 17 1 1 A 54 54 PRO CA C 54 62.997 65.143 -2.146 1
1 571 . 17 1 1 A 54 54 PRO CB C 54 32.349 31.925 0.424 1
1 574 . 17 1 1 A 55 55 ASN H H 55 8.646 8.141 0.505 1
1 575 . 17 1 1 A 55 55 ASN HA H 55 4.969 4.404 0.565 1
1 580 . 17 1 1 A 55 55 ASN C C 55 171.312 176.028 -4.716 1
1 581 . 17 1 1 A 55 55 ASN CA C 55 50.412 53.586 -3.174 1
1 582 . 17 1 1 A 55 55 ASN CB C 55 39.150 36.950 2.200 1
1 583 . 17 1 1 A 55 55 ASN N N 55 119.583 114.026 5.557 1
1 585 . 17 1 1 A 56 56 PRO HA H 56 4.400 4.440 -0.040 1
1 592 . 17 1 1 A 56 56 PRO C C 56 176.686 176.365 0.321 1
1 593 . 17 1 1 A 56 56 PRO CA C 56 63.273 64.203 -0.930 1
1 594 . 17 1 1 A 56 56 PRO CB C 56 31.783 31.459 0.324 1
1 597 . 17 1 1 A 57 57 CYS H H 57 7.831 8.041 -0.210 1
1 598 . 17 1 1 A 57 57 CYS HA H 57 4.443 4.714 -0.271 1
1 601 . 17 1 1 A 57 57 CYS C C 57 173.881 172.386 1.495 1
1 602 . 17 1 1 A 57 57 CYS CA C 57 59.103 55.668 3.435 1
1 603 . 17 1 1 A 57 57 CYS CB C 57 32.909 42.329 -9.420 1
1 604 . 17 1 1 A 57 57 CYS N N 57 119.502 117.799 1.703 1
1 605 . 17 1 1 A 59 59 PRO HA H 59 4.385 4.262 0.123 1
1 612 . 17 1 1 A 59 59 PRO C C 59 177.996 177.197 0.799 1
1 613 . 17 1 1 A 59 59 PRO CA C 59 64.249 63.984 0.265 1
1 614 . 17 1 1 A 59 59 PRO CB C 59 31.776 31.436 0.340 1
1 617 . 17 1 1 A 60 60 GLY H H 60 8.761 8.819 -0.058 1
1 618 . 17 1 1 A 60 60 GLY HA2 H 60 4.302 3.736 0.566 1
1 619 . 17 1 1 A 60 60 GLY HA3 H 60 3.619 3.796 -0.177 1
1 620 . 17 1 1 A 60 60 GLY C C 60 173.861 172.934 0.927 1
1 621 . 17 1 1 A 60 60 GLY CA C 60 44.888 45.067 -0.179 1
1 622 . 17 1 1 A 60 60 GLY N N 60 112.485 112.620 -0.135 1
1 623 . 17 1 1 A 61 61 TYR H H 61 8.522 7.937 0.585 1
1 624 . 17 1 1 A 61 61 TYR HA H 61 5.083 5.152 -0.069 1
1 631 . 17 1 1 A 61 61 TYR C C 61 174.910 175.114 -0.204 1
1 632 . 17 1 1 A 61 61 TYR CA C 61 56.152 56.652 -0.500 1
1 633 . 17 1 1 A 61 61 TYR CB C 61 42.124 42.147 -0.023 1
1 638 . 17 1 1 A 61 61 TYR N N 61 118.801 119.297 -0.496 1
1 639 . 17 1 1 A 62 62 GLU H H 62 9.129 8.982 0.147 1
1 640 . 17 1 1 A 62 62 GLU HA H 62 4.962 4.861 0.101 1
1 645 . 17 1 1 A 62 62 GLU C C 62 173.115 174.722 -1.607 1
1 646 . 17 1 1 A 62 62 GLU CA C 62 53.654 54.093 -0.439 1
1 647 . 17 1 1 A 62 62 GLU CB C 62 31.928 30.640 1.288 1
1 649 . 17 1 1 A 62 62 GLU N N 62 118.016 123.136 -5.120 1
1 650 . 17 1 1 A 63 63 PRO HA H 63 4.743 4.629 0.114 1
1 657 . 17 1 1 A 63 63 PRO C C 63 177.040 175.728 1.312 1
1 658 . 17 1 1 A 63 63 PRO CA C 63 63.759 62.558 1.201 1
1 659 . 17 1 1 A 63 63 PRO CB C 63 32.352 31.997 0.355 1
1 662 . 17 1 1 A 64 64 ASP H H 64 8.595 8.552 0.043 1
1 663 . 17 1 1 A 64 64 ASP HA H 64 4.679 4.950 -0.271 1
1 666 . 17 1 1 A 64 64 ASP C C 64 175.960 175.259 0.701 1
1 667 . 17 1 1 A 64 64 ASP CA C 64 53.790 53.319 0.471 1
1 668 . 17 1 1 A 64 64 ASP CB C 64 42.611 42.574 0.037 1
1 669 . 17 1 1 A 64 64 ASP N N 64 122.807 122.247 0.560 1
1 670 . 17 1 1 A 65 65 ASP H H 65 8.437 8.687 -0.250 1
1 671 . 17 1 1 A 65 65 ASP HA H 65 4.701 4.926 -0.225 1
1 674 . 17 1 1 A 65 65 ASP C C 65 176.412 176.143 0.269 1
1 675 . 17 1 1 A 65 65 ASP CA C 65 54.043 53.951 0.092 1
1 676 . 17 1 1 A 65 65 ASP CB C 65 41.279 41.443 -0.164 1
1 677 . 17 1 1 A 65 65 ASP N N 65 124.473 125.678 -1.205 1
1 678 . 17 1 1 A 66 66 GLN H H 66 8.316 8.711 -0.395 1
1 679 . 17 1 1 A 66 66 GLN HA H 66 4.290 4.665 -0.375 1
1 686 . 17 1 1 A 66 66 GLN C C 66 175.877 175.225 0.652 1
1 687 . 17 1 1 A 66 66 GLN CA C 66 55.992 55.592 0.400 1
1 688 . 17 1 1 A 66 66 GLN CB C 66 29.565 29.622 -0.057 1
1 690 . 17 1 1 A 66 66 GLN N N 66 120.317 124.160 -3.843 1
1 692 . 17 1 1 A 67 67 ASP H H 67 8.438 9.126 -0.688 1
1 693 . 17 1 1 A 67 67 ASP HA H 67 4.619 4.318 0.301 1
1 696 . 17 1 1 A 67 67 ASP C C 67 176.300 176.249 0.051 1
1 697 . 17 1 1 A 67 67 ASP CA C 67 54.535 54.783 -0.248 1
1 698 . 17 1 1 A 67 67 ASP CB C 67 41.210 39.425 1.785 1
1 699 . 17 1 1 A 67 67 ASP N N 67 121.942 120.706 1.236 1
1 700 . 17 1 1 A 68 68 SER H H 68 8.274 8.491 -0.217 1
1 701 . 17 1 1 A 68 68 SER HA H 68 4.476 4.537 -0.061 1
1 704 . 17 1 1 A 68 68 SER C C 68 174.516 175.249 -0.733 1
1 705 . 17 1 1 A 68 68 SER CA C 68 58.615 58.482 0.133 1
1 706 . 17 1 1 A 68 68 SER CB C 68 63.911 63.115 0.796 1
1 707 . 17 1 1 A 68 68 SER N N 68 116.099 120.527 -4.428 1
1 708 . 17 1 1 A 69 69 CYS H H 69 8.589 7.785 0.804 1
1 709 . 17 1 1 A 69 69 CYS HA H 69 4.719 4.738 -0.019 1
1 712 . 17 1 1 A 69 69 CYS C C 69 174.437 173.502 0.935 1
1 713 . 17 1 1 A 69 69 CYS CA C 69 55.620 55.244 0.376 1
1 714 . 17 1 1 A 69 69 CYS CB C 69 40.727 42.704 -1.977 1
1 715 . 17 1 1 A 69 69 CYS N N 69 120.951 118.145 2.806 1
1 716 . 17 1 1 A 70 70 VAL H H 70 8.150 7.467 0.683 1
1 717 . 17 1 1 A 70 70 VAL HA H 70 4.193 4.084 0.109 1
1 725 . 17 1 1 A 70 70 VAL C C 70 174.771 175.456 -0.685 1
1 726 . 17 1 1 A 70 70 VAL CA C 70 62.021 62.062 -0.041 1
1 727 . 17 1 1 A 70 70 VAL CB C 70 33.168 32.729 0.439 1
1 730 . 17 1 1 A 70 70 VAL N N 70 120.979 119.488 1.491 1
1 2 . 18 1 1 A 2 2 ASP H H 2 8.270 8.848 -0.578 1
1 3 . 18 1 1 A 2 2 ASP HA H 2 4.706 5.217 -0.511 1
1 6 . 18 1 1 A 2 2 ASP C C 2 176.240 175.617 0.623 1
1 7 . 18 1 1 A 2 2 ASP CA C 2 54.448 52.928 1.520 1
1 8 . 18 1 1 A 2 2 ASP CB C 2 41.396 42.607 -1.211 1
1 9 . 18 1 1 A 2 2 ASP N N 2 116.604 124.936 -8.332 1
1 10 . 18 1 1 A 3 3 VAL H H 3 8.197 8.454 -0.257 1
1 11 . 18 1 1 A 3 3 VAL HA H 3 4.090 4.511 -0.421 1
1 19 . 18 1 1 A 3 3 VAL C C 3 175.880 175.010 0.870 1
1 20 . 18 1 1 A 3 3 VAL CA C 3 62.509 61.785 0.724 1
1 21 . 18 1 1 A 3 3 VAL CB C 3 32.701 33.051 -0.350 1
1 24 . 18 1 1 A 3 3 VAL N N 3 119.871 122.215 -2.344 1
1 25 . 18 1 1 A 4 4 ASN H H 4 8.502 8.697 -0.195 1
1 26 . 18 1 1 A 4 4 ASN HA H 4 4.700 5.140 -0.440 1
1 31 . 18 1 1 A 4 4 ASN C C 4 175.378 175.797 -0.419 1
1 32 . 18 1 1 A 4 4 ASN CA C 4 53.427 52.038 1.389 1
1 33 . 18 1 1 A 4 4 ASN CB C 4 39.212 40.833 -1.621 1
1 34 . 18 1 1 A 4 4 ASN N N 4 121.932 126.112 -4.180 1
1 36 . 18 1 1 A 5 5 GLU H H 5 8.453 8.788 -0.335 1
1 37 . 18 1 1 A 5 5 GLU HA H 5 4.281 4.380 -0.099 1
1 42 . 18 1 1 A 5 5 GLU C C 5 176.502 177.796 -1.294 1
1 43 . 18 1 1 A 5 5 GLU CA C 5 56.925 56.294 0.631 1
1 44 . 18 1 1 A 5 5 GLU CB C 5 30.226 30.281 -0.055 1
1 46 . 18 1 1 A 5 5 GLU N N 5 122.108 120.490 1.618 1
1 47 . 18 1 1 A 6 6 CYS H H 6 8.519 8.633 -0.114 1
1 48 . 18 1 1 A 6 6 CYS HA H 6 4.605 4.449 0.156 1
1 51 . 18 1 1 A 6 6 CYS C C 6 174.876 174.552 0.324 1
1 52 . 18 1 1 A 6 6 CYS CA C 6 56.068 57.801 -1.733 1
1 53 . 18 1 1 A 6 6 CYS CB C 6 40.544 42.318 -1.774 1
1 54 . 18 1 1 A 6 6 CYS N N 6 119.657 119.418 0.239 1
1 55 . 18 1 1 A 7 7 LEU H H 7 8.372 7.779 0.593 1
1 56 . 18 1 1 A 7 7 LEU HA H 7 4.361 4.386 -0.025 1
1 66 . 18 1 1 A 7 7 LEU C C 7 177.534 176.351 1.183 1
1 67 . 18 1 1 A 7 7 LEU CA C 7 55.778 54.763 1.015 1
1 68 . 18 1 1 A 7 7 LEU CB C 7 42.554 41.161 1.393 1
1 72 . 18 1 1 A 7 7 LEU N N 7 123.198 116.079 7.119 1
1 73 . 18 1 1 A 8 8 THR H H 8 8.018 7.580 0.438 1
1 74 . 18 1 1 A 8 8 THR HA H 8 4.332 4.353 -0.021 1
1 79 . 18 1 1 A 8 8 THR C C 8 174.296 174.403 -0.107 1
1 80 . 18 1 1 A 8 8 THR CA C 8 61.745 61.328 0.417 1
1 81 . 18 1 1 A 8 8 THR CB C 8 69.529 70.532 -1.003 1
1 83 . 18 1 1 A 8 8 THR N N 8 113.232 115.560 -2.328 1
1 84 . 18 1 1 A 9 9 ILE H H 9 7.827 8.619 -0.792 1
1 85 . 18 1 1 A 9 9 ILE HA H 9 4.472 4.417 0.055 1
1 95 . 18 1 1 A 9 9 ILE C C 9 174.443 175.016 -0.573 1
1 96 . 18 1 1 A 9 9 ILE CA C 9 58.355 59.483 -1.128 1
1 97 . 18 1 1 A 9 9 ILE CB C 9 38.496 38.062 0.434 1
1 101 . 18 1 1 A 9 9 ILE N N 9 123.285 125.451 -2.166 1
1 102 . 18 1 1 A 10 10 PRO HA H 10 4.351 4.595 -0.244 1
1 109 . 18 1 1 A 10 10 PRO C C 10 177.207 177.108 0.099 1
1 110 . 18 1 1 A 10 10 PRO CA C 10 63.599 62.295 1.304 1
1 111 . 18 1 1 A 10 10 PRO CB C 10 31.965 29.703 2.262 1
1 114 . 18 1 1 A 11 11 GLU H H 11 8.555 8.607 -0.052 1
1 115 . 18 1 1 A 11 11 GLU HA H 11 4.053 4.256 -0.203 1
1 120 . 18 1 1 A 11 11 GLU C C 11 176.353 176.173 0.180 1
1 121 . 18 1 1 A 11 11 GLU CA C 11 56.955 56.495 0.460 1
1 122 . 18 1 1 A 11 11 GLU CB C 11 29.589 30.143 -0.554 1
1 124 . 18 1 1 A 11 11 GLU N N 11 120.562 121.562 -1.000 1
1 125 . 18 1 1 A 12 12 ALA H H 12 8.089 7.545 0.544 1
1 126 . 18 1 1 A 12 12 ALA HA H 12 4.233 4.901 -0.668 1
1 130 . 18 1 1 A 12 12 ALA C C 12 178.135 176.102 2.033 1
1 131 . 18 1 1 A 12 12 ALA CA C 12 53.092 50.411 2.681 1
1 132 . 18 1 1 A 12 12 ALA CB C 12 19.570 22.379 -2.809 1
1 133 . 18 1 1 A 12 12 ALA N N 12 123.927 120.732 3.195 1
1 134 . 18 1 1 A 13 13 CYS H H 13 8.725 8.665 0.060 1
1 135 . 18 1 1 A 13 13 CYS HA H 13 4.816 5.209 -0.393 1
1 138 . 18 1 1 A 13 13 CYS C C 13 175.490 173.165 2.325 1
1 139 . 18 1 1 A 13 13 CYS CA C 13 52.752 54.858 -2.106 1
1 140 . 18 1 1 A 13 13 CYS CB C 13 36.168 43.895 -7.727 1
1 141 . 18 1 1 A 13 13 CYS N N 13 114.120 118.070 -3.950 1
1 142 . 18 1 1 A 14 14 LYS H H 14 8.246 8.688 -0.442 1
1 143 . 18 1 1 A 14 14 LYS HA H 14 4.027 4.090 -0.063 1
1 152 . 18 1 1 A 14 14 LYS C C 14 177.863 177.328 0.535 1
1 153 . 18 1 1 A 14 14 LYS CA C 14 58.289 57.983 0.306 1
1 154 . 18 1 1 A 14 14 LYS CB C 14 31.489 32.587 -1.098 1
1 158 . 18 1 1 A 14 14 LYS N N 14 121.767 125.375 -3.608 1
1 159 . 18 1 1 A 15 15 GLY H H 15 8.979 8.878 0.101 1
1 160 . 18 1 1 A 15 15 GLY HA2 H 15 4.161 3.988 0.173 1
1 161 . 18 1 1 A 15 15 GLY HA3 H 15 3.765 3.989 -0.224 1
1 162 . 18 1 1 A 15 15 GLY C C 15 173.903 173.964 -0.061 1
1 163 . 18 1 1 A 15 15 GLY CA C 15 45.603 45.168 0.435 1
1 164 . 18 1 1 A 15 15 GLY N N 15 113.508 114.681 -1.173 1
1 165 . 18 1 1 A 16 16 GLU H H 16 8.027 7.914 0.113 1
1 166 . 18 1 1 A 16 16 GLU HA H 16 4.555 4.586 -0.031 1
1 171 . 18 1 1 A 16 16 GLU C C 16 174.310 175.827 -1.517 1
1 172 . 18 1 1 A 16 16 GLU CA C 16 55.213 55.388 -0.175 1
1 173 . 18 1 1 A 16 16 GLU CB C 16 31.839 31.262 0.577 1
1 175 . 18 1 1 A 16 16 GLU N N 16 120.692 120.686 0.006 1
1 176 . 18 1 1 A 17 17 MET H H 17 8.943 8.587 0.356 1
1 177 . 18 1 1 A 17 17 MET HA H 17 4.584 4.932 -0.348 1
1 185 . 18 1 1 A 17 17 MET C C 17 173.801 175.363 -1.562 1
1 186 . 18 1 1 A 17 17 MET CA C 17 55.183 54.503 0.680 1
1 187 . 18 1 1 A 17 17 MET CB C 17 34.221 33.012 1.209 1
1 190 . 18 1 1 A 17 17 MET N N 17 120.713 120.382 0.331 1
1 191 . 18 1 1 A 18 18 LYS H H 18 8.789 8.642 0.147 1
1 192 . 18 1 1 A 18 18 LYS HA H 18 5.083 4.572 0.511 1
1 201 . 18 1 1 A 18 18 LYS C C 18 175.138 174.580 0.558 1
1 202 . 18 1 1 A 18 18 LYS CA C 18 55.726 55.630 0.096 1
1 203 . 18 1 1 A 18 18 LYS CB C 18 35.053 33.232 1.821 1
1 207 . 18 1 1 A 18 18 LYS N N 18 127.261 123.826 3.435 1
1 208 . 18 1 1 A 19 19 CYS H H 19 9.132 9.210 -0.078 1
1 209 . 18 1 1 A 19 19 CYS HA H 19 5.273 5.337 -0.064 1
1 212 . 18 1 1 A 19 19 CYS C C 19 174.193 173.108 1.085 1
1 213 . 18 1 1 A 19 19 CYS CA C 19 54.753 54.579 0.174 1
1 214 . 18 1 1 A 19 19 CYS CB C 19 43.915 43.645 0.270 1
1 215 . 18 1 1 A 19 19 CYS N N 19 126.193 125.034 1.159 1
1 216 . 18 1 1 A 20 20 ILE H H 20 10.001 8.722 1.279 1
1 217 . 18 1 1 A 20 20 ILE HA H 20 5.483 5.660 -0.177 1
1 227 . 18 1 1 A 20 20 ILE C C 20 176.355 174.685 1.670 1
1 228 . 18 1 1 A 20 20 ILE CA C 20 59.977 59.077 0.900 1
1 229 . 18 1 1 A 20 20 ILE CB C 20 42.458 42.228 0.230 1
1 233 . 18 1 1 A 20 20 ILE N N 20 119.415 119.893 -0.478 1
1 234 . 18 1 1 A 21 21 ASN H H 21 8.092 8.158 -0.066 1
1 235 . 18 1 1 A 21 21 ASN HA H 21 4.906 4.935 -0.029 1
1 240 . 18 1 1 A 21 21 ASN CA C 21 50.729 50.818 -0.089 1
1 241 . 18 1 1 A 21 21 ASN CB C 21 38.492 41.192 -2.700 1
1 245 . 18 1 1 A 22 22 HIS C C 22 174.724 177.162 -2.438 1
1 250 . 18 1 1 A 23 23 TYR H H 23 7.932 7.878 0.054 1
1 251 . 18 1 1 A 23 23 TYR HA H 23 4.785 4.449 0.336 1
1 258 . 18 1 1 A 23 23 TYR C C 23 176.186 175.813 0.373 1
1 259 . 18 1 1 A 23 23 TYR CA C 23 56.891 59.402 -2.511 1
1 260 . 18 1 1 A 23 23 TYR CB C 23 38.509 38.652 -0.143 1
1 265 . 18 1 1 A 23 23 TYR N N 23 117.160 118.041 -0.881 1
1 266 . 18 1 1 A 24 24 GLY HA2 H 24 4.411 4.089 0.322 1
1 267 . 18 1 1 A 24 24 GLY HA3 H 24 3.674 4.100 -0.426 1
1 268 . 18 1 1 A 24 24 GLY C C 24 174.895 174.959 -0.064 1
1 269 . 18 1 1 A 24 24 GLY CA C 24 45.377 45.083 0.294 1
1 270 . 18 1 1 A 25 25 GLY H H 25 8.418 8.280 0.138 1
1 271 . 18 1 1 A 25 25 GLY HA2 H 25 4.461 4.035 0.426 1
1 272 . 18 1 1 A 25 25 GLY HA3 H 25 3.737 4.050 -0.313 1
1 273 . 18 1 1 A 25 25 GLY C C 25 172.832 172.124 0.708 1
1 274 . 18 1 1 A 25 25 GLY CA C 25 44.602 45.870 -1.268 1
1 275 . 18 1 1 A 25 25 GLY N N 25 110.337 108.492 1.845 1
1 276 . 18 1 1 A 26 26 TYR H H 26 8.256 8.851 -0.595 1
1 277 . 18 1 1 A 26 26 TYR HA H 26 6.053 5.295 0.758 1
1 284 . 18 1 1 A 26 26 TYR C C 26 173.625 174.307 -0.682 1
1 285 . 18 1 1 A 26 26 TYR CA C 26 55.921 56.232 -0.311 1
1 286 . 18 1 1 A 26 26 TYR CB C 26 42.690 40.540 2.150 1
1 291 . 18 1 1 A 26 26 TYR N N 26 116.601 126.263 -9.662 1
1 292 . 18 1 1 A 27 27 LEU H H 27 9.227 9.058 0.169 1
1 293 . 18 1 1 A 27 27 LEU HA H 27 4.437 4.840 -0.403 1
1 303 . 18 1 1 A 27 27 LEU C C 27 175.019 175.178 -0.159 1
1 304 . 18 1 1 A 27 27 LEU CA C 27 53.999 53.058 0.941 1
1 305 . 18 1 1 A 27 27 LEU CB C 27 46.334 45.070 1.264 1
1 309 . 18 1 1 A 27 27 LEU N N 27 121.005 128.110 -7.105 1
1 310 . 18 1 1 A 28 28 CYS H H 28 8.801 8.694 0.107 1
1 311 . 18 1 1 A 28 28 CYS HA H 28 5.730 5.611 0.119 1
1 314 . 18 1 1 A 28 28 CYS C C 28 174.452 172.823 1.629 1
1 315 . 18 1 1 A 28 28 CYS CA C 28 51.978 54.289 -2.311 1
1 316 . 18 1 1 A 28 28 CYS CB C 28 37.734 43.425 -5.691 1
1 317 . 18 1 1 A 28 28 CYS N N 28 120.613 121.124 -0.511 1
1 318 . 18 1 1 A 29 29 LEU H H 29 9.371 8.828 0.543 1
1 319 . 18 1 1 A 29 29 LEU HA H 29 4.891 4.729 0.162 1
1 329 . 18 1 1 A 29 29 LEU C C 29 173.339 174.562 -1.223 1
1 330 . 18 1 1 A 29 29 LEU CA C 29 51.743 52.218 -0.475 1
1 331 . 18 1 1 A 29 29 LEU CB C 29 44.633 42.295 2.338 1
1 335 . 18 1 1 A 29 29 LEU N N 29 127.550 127.256 0.294 1
1 336 . 18 1 1 A 30 30 PRO HA H 30 4.478 4.524 -0.046 1
1 343 . 18 1 1 A 30 30 PRO C C 30 177.206 177.105 0.101 1
1 344 . 18 1 1 A 30 30 PRO CA C 30 62.730 62.853 -0.123 1
1 345 . 18 1 1 A 30 30 PRO CB C 30 31.984 32.643 -0.659 1
1 348 . 18 1 1 A 31 31 ARG H H 31 8.856 8.929 -0.073 1
1 349 . 18 1 1 A 31 31 ARG HA H 31 4.189 4.257 -0.068 1
1 357 . 18 1 1 A 31 31 ARG C C 31 176.891 177.600 -0.709 1
1 358 . 18 1 1 A 31 31 ARG CA C 31 56.964 57.126 -0.162 1
1 359 . 18 1 1 A 31 31 ARG CB C 31 30.633 30.052 0.581 1
1 362 . 18 1 1 A 31 31 ARG N N 31 121.660 124.156 -2.496 1
1 364 . 18 1 1 A 32 32 SER H H 32 8.318 7.832 0.486 1
1 365 . 18 1 1 A 32 32 SER HA H 32 4.389 4.181 0.208 1
1 368 . 18 1 1 A 32 32 SER C C 32 174.251 174.638 -0.387 1
1 369 . 18 1 1 A 32 32 SER CA C 32 58.238 61.295 -3.057 1
1 370 . 18 1 1 A 32 32 SER CB C 32 63.821 62.981 0.840 1
1 371 . 18 1 1 A 32 32 SER N N 32 116.432 115.043 1.389 1
1 372 . 18 1 1 A 33 33 ALA H H 33 8.353 7.558 0.795 1
1 373 . 18 1 1 A 33 33 ALA HA H 33 4.307 4.443 -0.136 1
1 377 . 18 1 1 A 33 33 ALA C C 33 177.290 176.094 1.196 1
1 378 . 18 1 1 A 33 33 ALA CA C 33 52.515 51.591 0.924 1
1 379 . 18 1 1 A 33 33 ALA CB C 33 19.358 20.766 -1.408 1
1 380 . 18 1 1 A 33 33 ALA N N 33 126.203 122.208 3.995 1
1 381 . 18 1 1 A 34 34 ALA H H 34 8.178 8.705 -0.527 1
1 382 . 18 1 1 A 34 34 ALA HA H 34 4.280 5.271 -0.991 1
1 386 . 18 1 1 A 34 34 ALA C C 34 177.519 175.246 2.273 1
1 387 . 18 1 1 A 34 34 ALA CA C 34 52.480 50.295 2.185 1
1 388 . 18 1 1 A 34 34 ALA CB C 34 19.250 23.577 -4.327 1
1 389 . 18 1 1 A 34 34 ALA N N 34 123.091 120.925 2.166 1
1 390 . 18 1 1 A 35 35 VAL H H 35 8.083 8.674 -0.591 1
1 391 . 18 1 1 A 35 35 VAL HA H 35 4.060 4.624 -0.564 1
1 399 . 18 1 1 A 35 35 VAL C C 35 176.050 175.264 0.786 1
1 400 . 18 1 1 A 35 35 VAL CA C 35 62.297 61.379 0.918 1
1 401 . 18 1 1 A 35 35 VAL CB C 35 32.695 32.380 0.315 1
1 404 . 18 1 1 A 35 35 VAL N N 35 120.060 117.436 2.624 1
1 405 . 18 1 1 A 36 36 ILE H H 36 8.264 7.954 0.310 1
1 406 . 18 1 1 A 36 36 ILE HA H 36 4.141 4.819 -0.678 1
1 416 . 18 1 1 A 36 36 ILE C C 36 175.848 175.823 0.025 1
1 417 . 18 1 1 A 36 36 ILE CA C 36 60.924 58.501 2.423 1
1 418 . 18 1 1 A 36 36 ILE CB C 36 38.614 41.253 -2.639 1
1 422 . 18 1 1 A 36 36 ILE N N 36 125.147 124.892 0.255 1
1 423 . 18 1 1 A 37 37 ASN H H 37 8.501 9.043 -0.542 1
1 424 . 18 1 1 A 37 37 ASN HA H 37 4.702 4.528 0.174 1
1 429 . 18 1 1 A 37 37 ASN C C 37 174.609 174.874 -0.265 1
1 430 . 18 1 1 A 37 37 ASN CA C 37 53.143 54.001 -0.858 1
1 431 . 18 1 1 A 37 37 ASN CB C 37 38.957 36.867 2.090 1
1 432 . 18 1 1 A 37 37 ASN N N 37 123.292 120.974 2.318 1
1 434 . 18 1 1 A 38 38 ASP H H 38 8.326 7.883 0.443 1
1 435 . 18 1 1 A 38 38 ASP HA H 38 4.562 4.693 -0.131 1
1 438 . 18 1 1 A 38 38 ASP C C 38 176.188 176.853 -0.665 1
1 439 . 18 1 1 A 38 38 ASP CA C 38 54.218 54.380 -0.162 1
1 440 . 18 1 1 A 38 38 ASP CB C 38 41.133 41.582 -0.449 1
1 441 . 18 1 1 A 38 38 ASP N N 38 121.317 119.703 1.614 1
1 442 . 18 1 1 A 39 39 LEU H H 39 8.188 7.747 0.441 1
1 443 . 18 1 1 A 39 39 LEU HA H 39 4.242 4.104 0.138 1
1 453 . 18 1 1 A 39 39 LEU C C 39 177.515 178.021 -0.506 1
1 454 . 18 1 1 A 39 39 LEU CA C 39 55.501 57.660 -2.159 1
1 455 . 18 1 1 A 39 39 LEU CB C 39 42.030 41.527 0.503 1
1 459 . 18 1 1 A 39 39 LEU N N 39 122.367 119.571 2.796 1
1 460 . 18 1 1 A 40 40 HIS H H 40 8.418 7.650 0.768 1
1 461 . 18 1 1 A 40 40 HIS HA H 40 4.636 4.303 0.333 1
1 466 . 18 1 1 A 40 40 HIS C C 40 175.495 175.832 -0.337 1
1 467 . 18 1 1 A 40 40 HIS CA C 40 55.920 58.660 -2.740 1
1 468 . 18 1 1 A 40 40 HIS CB C 40 29.633 30.063 -0.430 1
1 471 . 18 1 1 A 40 40 HIS N N 40 118.989 118.309 0.680 1
1 474 . 18 1 1 A 41 41 GLY H H 41 8.258 8.277 -0.019 1
1 475 . 18 1 1 A 41 41 GLY HA2 H 41 3.969 3.900 0.069 1
1 476 . 18 1 1 A 41 41 GLY HA3 H 41 3.952 3.907 0.045 1
1 477 . 18 1 1 A 41 41 GLY C C 41 174.007 174.023 -0.016 1
1 478 . 18 1 1 A 41 41 GLY CA C 41 45.363 45.956 -0.593 1
1 479 . 18 1 1 A 41 41 GLY N N 41 109.714 107.099 2.615 1
1 480 . 18 1 1 A 42 42 GLU H H 42 8.406 8.169 0.237 1
1 481 . 18 1 1 A 42 42 GLU HA H 42 4.378 4.145 0.233 1
1 486 . 18 1 1 A 42 42 GLU C C 42 176.668 176.624 0.044 1
1 487 . 18 1 1 A 42 42 GLU CA C 42 56.278 58.039 -1.761 1
1 488 . 18 1 1 A 42 42 GLU CB C 42 30.473 29.451 1.022 1
1 490 . 18 1 1 A 42 42 GLU N N 42 120.561 122.585 -2.024 1
1 491 . 18 1 1 A 43 43 GLY H H 43 8.284 8.542 -0.258 1
1 492 . 18 1 1 A 43 43 GLY HA2 H 43 4.100 4.059 0.041 1
1 493 . 18 1 1 A 43 43 GLY HA3 H 43 4.099 4.062 0.037 1
1 494 . 18 1 1 A 43 43 GLY C C 43 171.027 174.015 -2.988 1
1 495 . 18 1 1 A 43 43 GLY CA C 43 44.399 44.367 0.032 1
1 496 . 18 1 1 A 43 43 GLY N N 43 110.014 115.056 -5.042 1
1 498 . 18 1 1 A 47 47 PRO C C 47 176.172 175.785 0.387 1
1 499 . 18 1 1 A 47 47 PRO CB C 47 32.134 30.023 2.111 1
1 500 . 18 1 1 A 48 48 VAL H H 48 8.585 8.136 0.449 1
1 501 . 18 1 1 A 48 48 VAL HA H 48 4.438 4.972 -0.534 1
1 508 . 18 1 1 A 48 48 VAL C C 48 174.309 173.519 0.790 1
1 509 . 18 1 1 A 48 48 VAL CA C 48 59.190 58.206 0.984 1
1 512 . 18 1 1 A 48 48 VAL N N 48 125.965 117.189 8.776 1
1 513 . 18 1 1 A 50 50 PRO HA H 50 4.353 4.156 0.197 1
1 520 . 18 1 1 A 50 50 PRO C C 50 176.824 177.451 -0.627 1
1 521 . 18 1 1 A 50 50 PRO CA C 50 63.194 65.085 -1.891 1
1 522 . 18 1 1 A 50 50 PRO CB C 50 32.006 31.725 0.281 1
1 525 . 18 1 1 A 51 51 ALA H H 51 8.301 7.816 0.485 1
1 526 . 18 1 1 A 51 51 ALA HA H 51 4.241 4.193 0.048 1
1 530 . 18 1 1 A 51 51 ALA C C 51 177.617 177.375 0.242 1
1 531 . 18 1 1 A 51 51 ALA CA C 51 52.717 53.268 -0.551 1
1 532 . 18 1 1 A 51 51 ALA CB C 51 19.211 19.341 -0.130 1
1 533 . 18 1 1 A 51 51 ALA N N 51 122.996 118.012 4.984 1
1 534 . 18 1 1 A 52 52 GLN H H 52 8.165 7.778 0.387 1
1 535 . 18 1 1 A 52 52 GLN HA H 52 4.266 4.182 0.084 1
1 542 . 18 1 1 A 52 52 GLN C C 52 175.394 175.017 0.377 1
1 543 . 18 1 1 A 52 52 GLN CA C 52 55.582 56.008 -0.426 1
1 544 . 18 1 1 A 52 52 GLN CB C 52 29.636 29.041 0.595 1
1 546 . 18 1 1 A 52 52 GLN N N 52 118.178 119.576 -1.398 1
1 548 . 18 1 1 A 53 53 HIS H H 53 8.395 9.006 -0.611 1
1 549 . 18 1 1 A 53 53 HIS HA H 53 4.872 4.859 0.013 1
1 554 . 18 1 1 A 53 53 HIS C C 53 173.260 175.141 -1.881 1
1 555 . 18 1 1 A 53 53 HIS CA C 53 54.036 54.028 0.008 1
1 556 . 18 1 1 A 53 53 HIS CB C 53 29.841 31.191 -1.350 1
1 559 . 18 1 1 A 53 53 HIS N N 53 121.522 124.675 -3.153 1
1 562 . 18 1 1 A 54 54 PRO HA H 54 4.547 4.218 0.329 1
1 569 . 18 1 1 A 54 54 PRO C C 54 176.605 176.772 -0.167 1
1 570 . 18 1 1 A 54 54 PRO CA C 54 62.997 64.678 -1.681 1
1 571 . 18 1 1 A 54 54 PRO CB C 54 32.349 31.906 0.443 1
1 574 . 18 1 1 A 55 55 ASN H H 55 8.646 8.140 0.506 1
1 575 . 18 1 1 A 55 55 ASN HA H 55 4.969 4.414 0.555 1
1 580 . 18 1 1 A 55 55 ASN C C 55 171.312 175.944 -4.632 1
1 581 . 18 1 1 A 55 55 ASN CA C 55 50.412 53.636 -3.224 1
1 582 . 18 1 1 A 55 55 ASN CB C 55 39.150 36.886 2.264 1
1 583 . 18 1 1 A 55 55 ASN N N 55 119.583 114.168 5.415 1
1 585 . 18 1 1 A 56 56 PRO HA H 56 4.400 4.394 0.006 1
1 592 . 18 1 1 A 56 56 PRO C C 56 176.686 176.346 0.340 1
1 593 . 18 1 1 A 56 56 PRO CA C 56 63.273 64.330 -1.057 1
1 594 . 18 1 1 A 56 56 PRO CB C 56 31.783 31.445 0.338 1
1 597 . 18 1 1 A 57 57 CYS H H 57 7.831 8.013 -0.182 1
1 598 . 18 1 1 A 57 57 CYS HA H 57 4.443 4.656 -0.213 1
1 601 . 18 1 1 A 57 57 CYS C C 57 173.881 172.019 1.862 1
1 602 . 18 1 1 A 57 57 CYS CA C 57 59.103 55.605 3.498 1
1 603 . 18 1 1 A 57 57 CYS CB C 57 32.909 42.294 -9.385 1
1 604 . 18 1 1 A 57 57 CYS N N 57 119.502 117.892 1.610 1
1 605 . 18 1 1 A 59 59 PRO HA H 59 4.385 4.314 0.071 1
1 612 . 18 1 1 A 59 59 PRO C C 59 177.996 177.264 0.732 1
1 613 . 18 1 1 A 59 59 PRO CA C 59 64.249 64.038 0.211 1
1 614 . 18 1 1 A 59 59 PRO CB C 59 31.776 31.467 0.309 1
1 617 . 18 1 1 A 60 60 GLY H H 60 8.761 8.949 -0.188 1
1 618 . 18 1 1 A 60 60 GLY HA2 H 60 4.302 3.894 0.408 1
1 619 . 18 1 1 A 60 60 GLY HA3 H 60 3.619 3.928 -0.309 1
1 620 . 18 1 1 A 60 60 GLY C C 60 173.861 174.125 -0.264 1
1 621 . 18 1 1 A 60 60 GLY CA C 60 44.888 45.206 -0.318 1
1 622 . 18 1 1 A 60 60 GLY N N 60 112.485 112.687 -0.202 1
1 623 . 18 1 1 A 61 61 TYR H H 61 8.522 8.223 0.299 1
1 624 . 18 1 1 A 61 61 TYR HA H 61 5.083 4.684 0.399 1
1 631 . 18 1 1 A 61 61 TYR C C 61 174.910 175.490 -0.580 1
1 632 . 18 1 1 A 61 61 TYR CA C 61 56.152 57.807 -1.655 1
1 633 . 18 1 1 A 61 61 TYR CB C 61 42.124 40.907 1.217 1
1 638 . 18 1 1 A 61 61 TYR N N 61 118.801 120.205 -1.404 1
1 639 . 18 1 1 A 62 62 GLU H H 62 9.129 9.467 -0.338 1
1 640 . 18 1 1 A 62 62 GLU HA H 62 4.962 5.017 -0.055 1
1 645 . 18 1 1 A 62 62 GLU C C 62 173.115 173.564 -0.449 1
1 646 . 18 1 1 A 62 62 GLU CA C 62 53.654 53.975 -0.321 1
1 647 . 18 1 1 A 62 62 GLU CB C 62 31.928 33.055 -1.127 1
1 649 . 18 1 1 A 62 62 GLU N N 62 118.016 119.583 -1.567 1
1 650 . 18 1 1 A 63 63 PRO HA H 63 4.743 4.786 -0.043 1
1 657 . 18 1 1 A 63 63 PRO C C 63 177.040 176.074 0.966 1
1 658 . 18 1 1 A 63 63 PRO CA C 63 63.759 62.580 1.179 1
1 659 . 18 1 1 A 63 63 PRO CB C 63 32.352 32.144 0.208 1
1 662 . 18 1 1 A 64 64 ASP H H 64 8.595 8.635 -0.040 1
1 663 . 18 1 1 A 64 64 ASP HA H 64 4.679 4.871 -0.192 1
1 666 . 18 1 1 A 64 64 ASP C C 64 175.960 175.477 0.483 1
1 667 . 18 1 1 A 64 64 ASP CA C 64 53.790 53.690 0.100 1
1 668 . 18 1 1 A 64 64 ASP CB C 64 42.611 42.020 0.591 1
1 669 . 18 1 1 A 64 64 ASP N N 64 122.807 122.316 0.491 1
1 670 . 18 1 1 A 65 65 ASP H H 65 8.437 8.615 -0.178 1
1 671 . 18 1 1 A 65 65 ASP HA H 65 4.701 4.851 -0.150 1
1 674 . 18 1 1 A 65 65 ASP C C 65 176.412 175.222 1.190 1
1 675 . 18 1 1 A 65 65 ASP CA C 65 54.043 54.133 -0.090 1
1 676 . 18 1 1 A 65 65 ASP CB C 65 41.279 41.340 -0.061 1
1 677 . 18 1 1 A 65 65 ASP N N 65 124.473 125.677 -1.204 1
1 678 . 18 1 1 A 66 66 GLN H H 66 8.316 8.537 -0.221 1
1 679 . 18 1 1 A 66 66 GLN HA H 66 4.290 5.097 -0.807 1
1 686 . 18 1 1 A 66 66 GLN C C 66 175.877 174.848 1.029 1
1 687 . 18 1 1 A 66 66 GLN CA C 66 55.992 54.647 1.345 1
1 688 . 18 1 1 A 66 66 GLN CB C 66 29.565 30.194 -0.629 1
1 690 . 18 1 1 A 66 66 GLN N N 66 120.317 123.190 -2.873 1
1 692 . 18 1 1 A 67 67 ASP H H 67 8.438 8.751 -0.313 1
1 693 . 18 1 1 A 67 67 ASP HA H 67 4.619 4.956 -0.337 1
1 696 . 18 1 1 A 67 67 ASP C C 67 176.300 174.910 1.390 1
1 697 . 18 1 1 A 67 67 ASP CA C 67 54.535 53.550 0.985 1
1 698 . 18 1 1 A 67 67 ASP CB C 67 41.210 41.990 -0.780 1
1 699 . 18 1 1 A 67 67 ASP N N 67 121.942 126.271 -4.329 1
1 700 . 18 1 1 A 68 68 SER H H 68 8.274 8.320 -0.046 1
1 701 . 18 1 1 A 68 68 SER HA H 68 4.476 5.032 -0.556 1
1 704 . 18 1 1 A 68 68 SER C C 68 174.516 172.639 1.877 1
1 705 . 18 1 1 A 68 68 SER CA C 68 58.615 57.649 0.966 1
1 706 . 18 1 1 A 68 68 SER CB C 68 63.911 65.403 -1.492 1
1 707 . 18 1 1 A 68 68 SER N N 68 116.099 111.105 4.994 1
1 708 . 18 1 1 A 69 69 CYS H H 69 8.589 8.500 0.089 1
1 709 . 18 1 1 A 69 69 CYS HA H 69 4.719 5.139 -0.420 1
1 712 . 18 1 1 A 69 69 CYS C C 69 174.437 171.947 2.490 1
1 713 . 18 1 1 A 69 69 CYS CA C 69 55.620 54.108 1.512 1
1 714 . 18 1 1 A 69 69 CYS CB C 69 40.727 45.791 -5.064 1
1 715 . 18 1 1 A 69 69 CYS N N 69 120.951 118.053 2.898 1
1 716 . 18 1 1 A 70 70 VAL H H 70 8.150 8.733 -0.583 1
1 717 . 18 1 1 A 70 70 VAL HA H 70 4.193 4.516 -0.323 1
1 725 . 18 1 1 A 70 70 VAL C C 70 174.771 174.937 -0.166 1
1 726 . 18 1 1 A 70 70 VAL CA C 70 62.021 61.395 0.626 1
1 727 . 18 1 1 A 70 70 VAL CB C 70 33.168 31.399 1.769 1
1 730 . 18 1 1 A 70 70 VAL N N 70 120.979 121.544 -0.565 1
1 2 . 19 1 1 A 2 2 ASP H H 2 8.270 8.910 -0.640 1
1 3 . 19 1 1 A 2 2 ASP HA H 2 4.706 4.733 -0.027 1
1 6 . 19 1 1 A 2 2 ASP C C 2 176.240 176.464 -0.224 1
1 7 . 19 1 1 A 2 2 ASP CA C 2 54.448 56.385 -1.937 1
1 8 . 19 1 1 A 2 2 ASP CB C 2 41.396 41.453 -0.057 1
1 9 . 19 1 1 A 2 2 ASP N N 2 116.604 126.330 -9.726 1
1 10 . 19 1 1 A 3 3 VAL H H 3 8.197 7.983 0.214 1
1 11 . 19 1 1 A 3 3 VAL HA H 3 4.090 4.470 -0.380 1
1 19 . 19 1 1 A 3 3 VAL C C 3 175.880 174.173 1.707 1
1 20 . 19 1 1 A 3 3 VAL CA C 3 62.509 60.678 1.831 1
1 21 . 19 1 1 A 3 3 VAL CB C 3 32.701 32.621 0.080 1
1 24 . 19 1 1 A 3 3 VAL N N 3 119.871 116.774 3.097 1
1 25 . 19 1 1 A 4 4 ASN H H 4 8.502 8.971 -0.469 1
1 26 . 19 1 1 A 4 4 ASN HA H 4 4.700 5.299 -0.599 1
1 31 . 19 1 1 A 4 4 ASN C C 4 175.378 175.510 -0.132 1
1 32 . 19 1 1 A 4 4 ASN CA C 4 53.427 51.691 1.736 1
1 33 . 19 1 1 A 4 4 ASN CB C 4 39.212 41.663 -2.451 1
1 34 . 19 1 1 A 4 4 ASN N N 4 121.932 127.763 -5.831 1
1 36 . 19 1 1 A 5 5 GLU H H 5 8.453 8.863 -0.410 1
1 37 . 19 1 1 A 5 5 GLU HA H 5 4.281 4.369 -0.088 1
1 42 . 19 1 1 A 5 5 GLU C C 5 176.502 177.845 -1.343 1
1 43 . 19 1 1 A 5 5 GLU CA C 5 56.925 56.306 0.619 1
1 44 . 19 1 1 A 5 5 GLU CB C 5 30.226 30.488 -0.262 1
1 46 . 19 1 1 A 5 5 GLU N N 5 122.108 121.237 0.871 1
1 47 . 19 1 1 A 6 6 CYS H H 6 8.519 8.414 0.105 1
1 48 . 19 1 1 A 6 6 CYS HA H 6 4.605 4.492 0.113 1
1 51 . 19 1 1 A 6 6 CYS C C 6 174.876 174.747 0.129 1
1 52 . 19 1 1 A 6 6 CYS CA C 6 56.068 57.497 -1.429 1
1 53 . 19 1 1 A 6 6 CYS CB C 6 40.544 41.995 -1.451 1
1 54 . 19 1 1 A 6 6 CYS N N 6 119.657 119.570 0.087 1
1 55 . 19 1 1 A 7 7 LEU H H 7 8.372 7.822 0.550 1
1 56 . 19 1 1 A 7 7 LEU HA H 7 4.361 4.194 0.167 1
1 66 . 19 1 1 A 7 7 LEU C C 7 177.534 176.738 0.796 1
1 67 . 19 1 1 A 7 7 LEU CA C 7 55.778 56.587 -0.809 1
1 68 . 19 1 1 A 7 7 LEU CB C 7 42.554 41.601 0.953 1
1 72 . 19 1 1 A 7 7 LEU N N 7 123.198 116.615 6.583 1
1 73 . 19 1 1 A 8 8 THR H H 8 8.018 7.246 0.772 1
1 74 . 19 1 1 A 8 8 THR HA H 8 4.332 4.284 0.048 1
1 79 . 19 1 1 A 8 8 THR C C 8 174.296 174.443 -0.147 1
1 80 . 19 1 1 A 8 8 THR CA C 8 61.745 62.203 -0.458 1
1 81 . 19 1 1 A 8 8 THR CB C 8 69.529 69.883 -0.354 1
1 83 . 19 1 1 A 8 8 THR N N 8 113.232 116.203 -2.971 1
1 84 . 19 1 1 A 9 9 ILE H H 9 7.827 8.474 -0.647 1
1 85 . 19 1 1 A 9 9 ILE HA H 9 4.472 4.578 -0.106 1
1 95 . 19 1 1 A 9 9 ILE C C 9 174.443 175.378 -0.935 1
1 96 . 19 1 1 A 9 9 ILE CA C 9 58.355 57.975 0.380 1
1 97 . 19 1 1 A 9 9 ILE CB C 9 38.496 37.903 0.593 1
1 101 . 19 1 1 A 9 9 ILE N N 9 123.285 125.207 -1.922 1
1 102 . 19 1 1 A 10 10 PRO HA H 10 4.351 4.638 -0.287 1
1 109 . 19 1 1 A 10 10 PRO C C 10 177.207 176.530 0.677 1
1 110 . 19 1 1 A 10 10 PRO CA C 10 63.599 62.251 1.348 1
1 111 . 19 1 1 A 10 10 PRO CB C 10 31.965 29.043 2.922 1
1 114 . 19 1 1 A 11 11 GLU H H 11 8.555 8.824 -0.269 1
1 115 . 19 1 1 A 11 11 GLU HA H 11 4.053 4.387 -0.334 1
1 120 . 19 1 1 A 11 11 GLU C C 11 176.353 176.729 -0.376 1
1 121 . 19 1 1 A 11 11 GLU CA C 11 56.955 56.673 0.282 1
1 122 . 19 1 1 A 11 11 GLU CB C 11 29.589 30.060 -0.471 1
1 124 . 19 1 1 A 11 11 GLU N N 11 120.562 122.715 -2.153 1
1 125 . 19 1 1 A 12 12 ALA H H 12 8.089 7.527 0.562 1
1 126 . 19 1 1 A 12 12 ALA HA H 12 4.233 4.384 -0.151 1
1 130 . 19 1 1 A 12 12 ALA C C 12 178.135 177.159 0.976 1
1 131 . 19 1 1 A 12 12 ALA CA C 12 53.092 52.054 1.038 1
1 132 . 19 1 1 A 12 12 ALA CB C 12 19.570 20.107 -0.537 1
1 133 . 19 1 1 A 12 12 ALA N N 12 123.927 122.586 1.341 1
1 134 . 19 1 1 A 13 13 CYS H H 13 8.725 8.672 0.053 1
1 135 . 19 1 1 A 13 13 CYS HA H 13 4.816 5.210 -0.394 1
1 138 . 19 1 1 A 13 13 CYS C C 13 175.490 173.316 2.174 1
1 139 . 19 1 1 A 13 13 CYS CA C 13 52.752 54.604 -1.852 1
1 140 . 19 1 1 A 13 13 CYS CB C 13 36.168 43.155 -6.987 1
1 141 . 19 1 1 A 13 13 CYS N N 13 114.120 118.459 -4.339 1
1 142 . 19 1 1 A 14 14 LYS H H 14 8.246 8.700 -0.454 1
1 143 . 19 1 1 A 14 14 LYS HA H 14 4.027 3.939 0.088 1
1 152 . 19 1 1 A 14 14 LYS C C 14 177.863 177.569 0.294 1
1 153 . 19 1 1 A 14 14 LYS CA C 14 58.289 58.259 0.030 1
1 154 . 19 1 1 A 14 14 LYS CB C 14 31.489 32.061 -0.572 1
1 158 . 19 1 1 A 14 14 LYS N N 14 121.767 125.794 -4.027 1
1 159 . 19 1 1 A 15 15 GLY H H 15 8.979 8.771 0.208 1
1 160 . 19 1 1 A 15 15 GLY HA2 H 15 4.161 3.910 0.251 1
1 161 . 19 1 1 A 15 15 GLY HA3 H 15 3.765 3.911 -0.146 1
1 162 . 19 1 1 A 15 15 GLY C C 15 173.903 173.511 0.392 1
1 163 . 19 1 1 A 15 15 GLY CA C 15 45.603 45.537 0.066 1
1 164 . 19 1 1 A 15 15 GLY N N 15 113.508 114.461 -0.953 1
1 165 . 19 1 1 A 16 16 GLU H H 16 8.027 7.734 0.293 1
1 166 . 19 1 1 A 16 16 GLU HA H 16 4.555 4.903 -0.348 1
1 171 . 19 1 1 A 16 16 GLU C C 16 174.310 174.935 -0.625 1
1 172 . 19 1 1 A 16 16 GLU CA C 16 55.213 54.260 0.953 1
1 173 . 19 1 1 A 16 16 GLU CB C 16 31.839 33.193 -1.354 1
1 175 . 19 1 1 A 16 16 GLU N N 16 120.692 119.784 0.908 1
1 176 . 19 1 1 A 17 17 MET H H 17 8.943 8.901 0.042 1
1 177 . 19 1 1 A 17 17 MET HA H 17 4.584 4.919 -0.335 1
1 185 . 19 1 1 A 17 17 MET C C 17 173.801 175.665 -1.864 1
1 186 . 19 1 1 A 17 17 MET CA C 17 55.183 54.397 0.786 1
1 187 . 19 1 1 A 17 17 MET CB C 17 34.221 33.670 0.551 1
1 190 . 19 1 1 A 17 17 MET N N 17 120.713 120.666 0.047 1
1 191 . 19 1 1 A 18 18 LYS H H 18 8.789 8.502 0.287 1
1 192 . 19 1 1 A 18 18 LYS HA H 18 5.083 4.629 0.454 1
1 201 . 19 1 1 A 18 18 LYS C C 18 175.138 174.590 0.548 1
1 202 . 19 1 1 A 18 18 LYS CA C 18 55.726 54.951 0.775 1
1 203 . 19 1 1 A 18 18 LYS CB C 18 35.053 33.377 1.676 1
1 207 . 19 1 1 A 18 18 LYS N N 18 127.261 122.669 4.592 1
1 208 . 19 1 1 A 19 19 CYS H H 19 9.132 9.137 -0.005 1
1 209 . 19 1 1 A 19 19 CYS HA H 19 5.273 5.474 -0.201 1
1 212 . 19 1 1 A 19 19 CYS C C 19 174.193 173.038 1.155 1
1 213 . 19 1 1 A 19 19 CYS CA C 19 54.753 54.507 0.246 1
1 214 . 19 1 1 A 19 19 CYS CB C 19 43.915 43.580 0.335 1
1 215 . 19 1 1 A 19 19 CYS N N 19 126.193 125.050 1.143 1
1 216 . 19 1 1 A 20 20 ILE H H 20 10.001 8.797 1.204 1
1 217 . 19 1 1 A 20 20 ILE HA H 20 5.483 5.735 -0.252 1
1 227 . 19 1 1 A 20 20 ILE C C 20 176.355 174.640 1.715 1
1 228 . 19 1 1 A 20 20 ILE CA C 20 59.977 59.105 0.872 1
1 229 . 19 1 1 A 20 20 ILE CB C 20 42.458 42.203 0.255 1
1 233 . 19 1 1 A 20 20 ILE N N 20 119.415 119.853 -0.438 1
1 234 . 19 1 1 A 21 21 ASN H H 21 8.092 8.184 -0.092 1
1 235 . 19 1 1 A 21 21 ASN HA H 21 4.906 5.032 -0.126 1
1 240 . 19 1 1 A 21 21 ASN CA C 21 50.729 51.053 -0.324 1
1 241 . 19 1 1 A 21 21 ASN CB C 21 38.492 40.173 -1.681 1
1 245 . 19 1 1 A 22 22 HIS C C 22 174.724 176.488 -1.764 1
1 250 . 19 1 1 A 23 23 TYR H H 23 7.932 7.779 0.153 1
1 251 . 19 1 1 A 23 23 TYR HA H 23 4.785 4.537 0.248 1
1 258 . 19 1 1 A 23 23 TYR C C 23 176.186 175.924 0.262 1
1 259 . 19 1 1 A 23 23 TYR CA C 23 56.891 58.232 -1.341 1
1 260 . 19 1 1 A 23 23 TYR CB C 23 38.509 38.814 -0.305 1
1 265 . 19 1 1 A 23 23 TYR N N 23 117.160 117.605 -0.445 1
1 266 . 19 1 1 A 24 24 GLY HA2 H 24 4.411 4.068 0.343 1
1 267 . 19 1 1 A 24 24 GLY HA3 H 24 3.674 4.070 -0.396 1
1 268 . 19 1 1 A 24 24 GLY C C 24 174.895 174.958 -0.063 1
1 269 . 19 1 1 A 24 24 GLY CA C 24 45.377 45.127 0.250 1
1 270 . 19 1 1 A 25 25 GLY H H 25 8.418 8.148 0.270 1
1 271 . 19 1 1 A 25 25 GLY HA2 H 25 4.461 4.050 0.411 1
1 272 . 19 1 1 A 25 25 GLY HA3 H 25 3.737 4.143 -0.406 1
1 273 . 19 1 1 A 25 25 GLY C C 25 172.832 171.939 0.893 1
1 274 . 19 1 1 A 25 25 GLY CA C 25 44.602 45.994 -1.392 1
1 275 . 19 1 1 A 25 25 GLY N N 25 110.337 108.554 1.783 1
1 276 . 19 1 1 A 26 26 TYR H H 26 8.256 8.944 -0.688 1
1 277 . 19 1 1 A 26 26 TYR HA H 26 6.053 5.302 0.751 1
1 284 . 19 1 1 A 26 26 TYR C C 26 173.625 173.949 -0.324 1
1 285 . 19 1 1 A 26 26 TYR CA C 26 55.921 56.269 -0.348 1
1 286 . 19 1 1 A 26 26 TYR CB C 26 42.690 41.797 0.893 1
1 291 . 19 1 1 A 26 26 TYR N N 26 116.601 124.404 -7.803 1
1 292 . 19 1 1 A 27 27 LEU H H 27 9.227 8.861 0.366 1
1 293 . 19 1 1 A 27 27 LEU HA H 27 4.437 4.844 -0.407 1
1 303 . 19 1 1 A 27 27 LEU C C 27 175.019 175.573 -0.554 1
1 304 . 19 1 1 A 27 27 LEU CA C 27 53.999 52.908 1.091 1
1 305 . 19 1 1 A 27 27 LEU CB C 27 46.334 44.900 1.434 1
1 309 . 19 1 1 A 27 27 LEU N N 27 121.005 127.656 -6.651 1
1 310 . 19 1 1 A 28 28 CYS H H 28 8.801 8.735 0.066 1
1 311 . 19 1 1 A 28 28 CYS HA H 28 5.730 5.731 -0.001 1
1 314 . 19 1 1 A 28 28 CYS C C 28 174.452 172.791 1.661 1
1 315 . 19 1 1 A 28 28 CYS CA C 28 51.978 54.517 -2.539 1
1 316 . 19 1 1 A 28 28 CYS CB C 28 37.734 44.086 -6.352 1
1 317 . 19 1 1 A 28 28 CYS N N 28 120.613 120.894 -0.281 1
1 318 . 19 1 1 A 29 29 LEU H H 29 9.371 8.906 0.465 1
1 319 . 19 1 1 A 29 29 LEU HA H 29 4.891 4.745 0.146 1
1 329 . 19 1 1 A 29 29 LEU C C 29 173.339 174.419 -1.080 1
1 330 . 19 1 1 A 29 29 LEU CA C 29 51.743 52.148 -0.405 1
1 331 . 19 1 1 A 29 29 LEU CB C 29 44.633 42.546 2.087 1
1 335 . 19 1 1 A 29 29 LEU N N 29 127.550 126.479 1.071 1
1 336 . 19 1 1 A 30 30 PRO HA H 30 4.478 4.542 -0.064 1
1 343 . 19 1 1 A 30 30 PRO C C 30 177.206 177.350 -0.144 1
1 344 . 19 1 1 A 30 30 PRO CA C 30 62.730 62.903 -0.173 1
1 345 . 19 1 1 A 30 30 PRO CB C 30 31.984 32.227 -0.243 1
1 348 . 19 1 1 A 31 31 ARG H H 31 8.856 8.905 -0.049 1
1 349 . 19 1 1 A 31 31 ARG HA H 31 4.189 4.141 0.048 1
1 357 . 19 1 1 A 31 31 ARG C C 31 176.891 178.195 -1.304 1
1 358 . 19 1 1 A 31 31 ARG CA C 31 56.964 58.414 -1.450 1
1 359 . 19 1 1 A 31 31 ARG CB C 31 30.633 30.114 0.519 1
1 362 . 19 1 1 A 31 31 ARG N N 31 121.660 124.647 -2.987 1
1 364 . 19 1 1 A 32 32 SER H H 32 8.318 8.005 0.313 1
1 365 . 19 1 1 A 32 32 SER HA H 32 4.389 4.284 0.105 1
1 368 . 19 1 1 A 32 32 SER C C 32 174.251 174.309 -0.058 1
1 369 . 19 1 1 A 32 32 SER CA C 32 58.238 61.145 -2.907 1
1 370 . 19 1 1 A 32 32 SER CB C 32 63.821 62.703 1.118 1
1 371 . 19 1 1 A 32 32 SER N N 32 116.432 113.077 3.355 1
1 372 . 19 1 1 A 33 33 ALA H H 33 8.353 7.170 1.183 1
1 373 . 19 1 1 A 33 33 ALA HA H 33 4.307 4.478 -0.171 1
1 377 . 19 1 1 A 33 33 ALA C C 33 177.290 176.845 0.445 1
1 378 . 19 1 1 A 33 33 ALA CA C 33 52.515 50.759 1.756 1
1 379 . 19 1 1 A 33 33 ALA CB C 33 19.358 20.609 -1.251 1
1 380 . 19 1 1 A 33 33 ALA N N 33 126.203 123.735 2.468 1
1 381 . 19 1 1 A 34 34 ALA H H 34 8.178 8.881 -0.703 1
1 382 . 19 1 1 A 34 34 ALA HA H 34 4.280 4.933 -0.653 1
1 386 . 19 1 1 A 34 34 ALA C C 34 177.519 178.331 -0.812 1
1 387 . 19 1 1 A 34 34 ALA CA C 34 52.480 49.910 2.570 1
1 388 . 19 1 1 A 34 34 ALA CB C 34 19.250 22.076 -2.826 1
1 389 . 19 1 1 A 34 34 ALA N N 34 123.091 124.792 -1.701 1
1 390 . 19 1 1 A 35 35 VAL H H 35 8.083 8.491 -0.408 1
1 391 . 19 1 1 A 35 35 VAL HA H 35 4.060 4.374 -0.314 1
1 399 . 19 1 1 A 35 35 VAL C C 35 176.050 176.027 0.023 1
1 400 . 19 1 1 A 35 35 VAL CA C 35 62.297 61.333 0.964 1
1 401 . 19 1 1 A 35 35 VAL CB C 35 32.695 32.002 0.693 1
1 404 . 19 1 1 A 35 35 VAL N N 35 120.060 118.279 1.781 1
1 405 . 19 1 1 A 36 36 ILE H H 36 8.264 7.431 0.833 1
1 406 . 19 1 1 A 36 36 ILE HA H 36 4.141 4.194 -0.053 1
1 416 . 19 1 1 A 36 36 ILE C C 36 175.848 175.853 -0.005 1
1 417 . 19 1 1 A 36 36 ILE CA C 36 60.924 60.127 0.797 1
1 418 . 19 1 1 A 36 36 ILE CB C 36 38.614 39.760 -1.146 1
1 422 . 19 1 1 A 36 36 ILE N N 36 125.147 119.765 5.382 1
1 423 . 19 1 1 A 37 37 ASN H H 37 8.501 8.482 0.019 1
1 424 . 19 1 1 A 37 37 ASN HA H 37 4.702 4.637 0.065 1
1 429 . 19 1 1 A 37 37 ASN C C 37 174.609 173.951 0.658 1
1 430 . 19 1 1 A 37 37 ASN CA C 37 53.143 52.759 0.384 1
1 431 . 19 1 1 A 37 37 ASN CB C 37 38.957 37.980 0.977 1
1 432 . 19 1 1 A 37 37 ASN N N 37 123.292 121.969 1.323 1
1 434 . 19 1 1 A 38 38 ASP H H 38 8.326 8.042 0.284 1
1 435 . 19 1 1 A 38 38 ASP HA H 38 4.562 5.173 -0.611 1
1 438 . 19 1 1 A 38 38 ASP C C 38 176.188 174.513 1.675 1
1 439 . 19 1 1 A 38 38 ASP CA C 38 54.218 53.875 0.343 1
1 440 . 19 1 1 A 38 38 ASP CB C 38 41.133 42.893 -1.760 1
1 441 . 19 1 1 A 38 38 ASP N N 38 121.317 124.617 -3.300 1
1 442 . 19 1 1 A 39 39 LEU H H 39 8.188 8.869 -0.681 1
1 443 . 19 1 1 A 39 39 LEU HA H 39 4.242 5.436 -1.194 1
1 453 . 19 1 1 A 39 39 LEU C C 39 177.515 175.254 2.261 1
1 454 . 19 1 1 A 39 39 LEU CA C 39 55.501 53.386 2.115 1
1 455 . 19 1 1 A 39 39 LEU CB C 39 42.030 46.292 -4.262 1
1 459 . 19 1 1 A 39 39 LEU N N 39 122.367 122.624 -0.257 1
1 460 . 19 1 1 A 40 40 HIS H H 40 8.418 8.754 -0.336 1
1 461 . 19 1 1 A 40 40 HIS HA H 40 4.636 5.133 -0.497 1
1 466 . 19 1 1 A 40 40 HIS C C 40 175.495 173.356 2.139 1
1 467 . 19 1 1 A 40 40 HIS CA C 40 55.920 55.149 0.771 1
1 468 . 19 1 1 A 40 40 HIS CB C 40 29.633 33.354 -3.721 1
1 471 . 19 1 1 A 40 40 HIS N N 40 118.989 118.760 0.229 1
1 474 . 19 1 1 A 41 41 GLY H H 41 8.258 8.395 -0.137 1
1 475 . 19 1 1 A 41 41 GLY HA2 H 41 3.969 4.116 -0.147 1
1 476 . 19 1 1 A 41 41 GLY HA3 H 41 3.952 4.123 -0.171 1
1 477 . 19 1 1 A 41 41 GLY C C 41 174.007 174.671 -0.664 1
1 478 . 19 1 1 A 41 41 GLY CA C 41 45.363 43.697 1.666 1
1 479 . 19 1 1 A 41 41 GLY N N 41 109.714 111.586 -1.872 1
1 480 . 19 1 1 A 42 42 GLU H H 42 8.406 8.555 -0.149 1
1 481 . 19 1 1 A 42 42 GLU HA H 42 4.378 3.994 0.384 1
1 486 . 19 1 1 A 42 42 GLU C C 42 176.668 177.029 -0.361 1
1 487 . 19 1 1 A 42 42 GLU CA C 42 56.278 58.855 -2.577 1
1 488 . 19 1 1 A 42 42 GLU CB C 42 30.473 30.099 0.374 1
1 490 . 19 1 1 A 42 42 GLU N N 42 120.561 118.488 2.073 1
1 491 . 19 1 1 A 43 43 GLY H H 43 8.284 7.425 0.859 1
1 492 . 19 1 1 A 43 43 GLY HA2 H 43 4.100 4.016 0.084 1
1 493 . 19 1 1 A 43 43 GLY HA3 H 43 4.099 4.021 0.078 1
1 494 . 19 1 1 A 43 43 GLY C C 43 171.027 173.685 -2.658 1
1 495 . 19 1 1 A 43 43 GLY CA C 43 44.399 46.050 -1.651 1
1 496 . 19 1 1 A 43 43 GLY N N 43 110.014 104.776 5.238 1
1 498 . 19 1 1 A 47 47 PRO C C 47 176.172 176.166 0.006 1
1 499 . 19 1 1 A 47 47 PRO CB C 47 32.134 31.834 0.300 1
1 500 . 19 1 1 A 48 48 VAL H H 48 8.585 8.360 0.225 1
1 501 . 19 1 1 A 48 48 VAL HA H 48 4.438 4.919 -0.481 1
1 508 . 19 1 1 A 48 48 VAL C C 48 174.309 174.641 -0.332 1
1 509 . 19 1 1 A 48 48 VAL CA C 48 59.190 58.465 0.725 1
1 512 . 19 1 1 A 48 48 VAL N N 48 125.965 117.199 8.766 1
1 513 . 19 1 1 A 50 50 PRO HA H 50 4.353 4.250 0.103 1
1 520 . 19 1 1 A 50 50 PRO C C 50 176.824 177.440 -0.616 1
1 521 . 19 1 1 A 50 50 PRO CA C 50 63.194 65.918 -2.724 1
1 522 . 19 1 1 A 50 50 PRO CB C 50 32.006 31.667 0.339 1
1 525 . 19 1 1 A 51 51 ALA H H 51 8.301 8.016 0.285 1
1 526 . 19 1 1 A 51 51 ALA HA H 51 4.241 4.476 -0.235 1
1 530 . 19 1 1 A 51 51 ALA C C 51 177.617 177.077 0.540 1
1 531 . 19 1 1 A 51 51 ALA CA C 51 52.717 51.787 0.930 1
1 532 . 19 1 1 A 51 51 ALA CB C 51 19.211 18.320 0.891 1
1 533 . 19 1 1 A 51 51 ALA N N 51 122.996 119.170 3.826 1
1 534 . 19 1 1 A 52 52 GLN H H 52 8.165 7.276 0.889 1
1 535 . 19 1 1 A 52 52 GLN HA H 52 4.266 4.437 -0.171 1
1 542 . 19 1 1 A 52 52 GLN C C 52 175.394 175.676 -0.282 1
1 543 . 19 1 1 A 52 52 GLN CA C 52 55.582 56.046 -0.464 1
1 544 . 19 1 1 A 52 52 GLN CB C 52 29.636 29.007 0.629 1
1 546 . 19 1 1 A 52 52 GLN N N 52 118.178 116.808 1.370 1
1 548 . 19 1 1 A 53 53 HIS H H 53 8.395 8.923 -0.528 1
1 549 . 19 1 1 A 53 53 HIS HA H 53 4.872 4.958 -0.086 1
1 554 . 19 1 1 A 53 53 HIS C C 53 173.260 174.798 -1.538 1
1 555 . 19 1 1 A 53 53 HIS CA C 53 54.036 53.765 0.271 1
1 556 . 19 1 1 A 53 53 HIS CB C 53 29.841 32.795 -2.954 1
1 559 . 19 1 1 A 53 53 HIS N N 53 121.522 118.980 2.542 1
1 562 . 19 1 1 A 54 54 PRO HA H 54 4.547 4.326 0.221 1
1 569 . 19 1 1 A 54 54 PRO C C 54 176.605 176.834 -0.229 1
1 570 . 19 1 1 A 54 54 PRO CA C 54 62.997 64.943 -1.946 1
1 571 . 19 1 1 A 54 54 PRO CB C 54 32.349 31.858 0.491 1
1 574 . 19 1 1 A 55 55 ASN H H 55 8.646 8.169 0.477 1
1 575 . 19 1 1 A 55 55 ASN HA H 55 4.969 4.398 0.571 1
1 580 . 19 1 1 A 55 55 ASN C C 55 171.312 175.885 -4.573 1
1 581 . 19 1 1 A 55 55 ASN CA C 55 50.412 53.650 -3.238 1
1 582 . 19 1 1 A 55 55 ASN CB C 55 39.150 36.894 2.256 1
1 583 . 19 1 1 A 55 55 ASN N N 55 119.583 114.080 5.503 1
1 585 . 19 1 1 A 56 56 PRO HA H 56 4.400 4.433 -0.033 1
1 592 . 19 1 1 A 56 56 PRO C C 56 176.686 176.423 0.263 1
1 593 . 19 1 1 A 56 56 PRO CA C 56 63.273 64.396 -1.123 1
1 594 . 19 1 1 A 56 56 PRO CB C 56 31.783 31.520 0.263 1
1 597 . 19 1 1 A 57 57 CYS H H 57 7.831 8.101 -0.270 1
1 598 . 19 1 1 A 57 57 CYS HA H 57 4.443 4.629 -0.186 1
1 601 . 19 1 1 A 57 57 CYS C C 57 173.881 172.283 1.598 1
1 602 . 19 1 1 A 57 57 CYS CA C 57 59.103 55.665 3.438 1
1 603 . 19 1 1 A 57 57 CYS CB C 57 32.909 42.983 -10.074 1
1 604 . 19 1 1 A 57 57 CYS N N 57 119.502 117.845 1.657 1
1 605 . 19 1 1 A 59 59 PRO HA H 59 4.385 4.276 0.109 1
1 612 . 19 1 1 A 59 59 PRO C C 59 177.996 177.187 0.809 1
1 613 . 19 1 1 A 59 59 PRO CA C 59 64.249 63.996 0.253 1
1 614 . 19 1 1 A 59 59 PRO CB C 59 31.776 31.467 0.309 1
1 617 . 19 1 1 A 60 60 GLY H H 60 8.761 8.834 -0.073 1
1 618 . 19 1 1 A 60 60 GLY HA2 H 60 4.302 3.731 0.571 1
1 619 . 19 1 1 A 60 60 GLY HA3 H 60 3.619 3.743 -0.124 1
1 620 . 19 1 1 A 60 60 GLY C C 60 173.861 172.667 1.194 1
1 621 . 19 1 1 A 60 60 GLY CA C 60 44.888 44.997 -0.109 1
1 622 . 19 1 1 A 60 60 GLY N N 60 112.485 112.552 -0.067 1
1 623 . 19 1 1 A 61 61 TYR H H 61 8.522 7.914 0.608 1
1 624 . 19 1 1 A 61 61 TYR HA H 61 5.083 5.156 -0.073 1
1 631 . 19 1 1 A 61 61 TYR C C 61 174.910 174.769 0.141 1
1 632 . 19 1 1 A 61 61 TYR CA C 61 56.152 56.542 -0.390 1
1 633 . 19 1 1 A 61 61 TYR CB C 61 42.124 43.012 -0.888 1
1 638 . 19 1 1 A 61 61 TYR N N 61 118.801 119.012 -0.211 1
1 639 . 19 1 1 A 62 62 GLU H H 62 9.129 9.355 -0.226 1
1 640 . 19 1 1 A 62 62 GLU HA H 62 4.962 5.031 -0.069 1
1 645 . 19 1 1 A 62 62 GLU C C 62 173.115 174.349 -1.234 1
1 646 . 19 1 1 A 62 62 GLU CA C 62 53.654 53.635 0.019 1
1 647 . 19 1 1 A 62 62 GLU CB C 62 31.928 32.750 -0.822 1
1 649 . 19 1 1 A 62 62 GLU N N 62 118.016 119.766 -1.750 1
1 650 . 19 1 1 A 63 63 PRO HA H 63 4.743 4.797 -0.054 1
1 657 . 19 1 1 A 63 63 PRO C C 63 177.040 175.732 1.308 1
1 658 . 19 1 1 A 63 63 PRO CA C 63 63.759 62.318 1.441 1
1 659 . 19 1 1 A 63 63 PRO CB C 63 32.352 32.144 0.208 1
1 662 . 19 1 1 A 64 64 ASP H H 64 8.595 8.778 -0.183 1
1 663 . 19 1 1 A 64 64 ASP HA H 64 4.679 4.938 -0.259 1
1 666 . 19 1 1 A 64 64 ASP C C 64 175.960 174.758 1.202 1
1 667 . 19 1 1 A 64 64 ASP CA C 64 53.790 52.949 0.841 1
1 668 . 19 1 1 A 64 64 ASP CB C 64 42.611 44.294 -1.683 1
1 669 . 19 1 1 A 64 64 ASP N N 64 122.807 121.403 1.404 1
1 670 . 19 1 1 A 65 65 ASP H H 65 8.437 8.728 -0.291 1
1 671 . 19 1 1 A 65 65 ASP HA H 65 4.701 4.889 -0.188 1
1 674 . 19 1 1 A 65 65 ASP C C 65 176.412 175.600 0.812 1
1 675 . 19 1 1 A 65 65 ASP CA C 65 54.043 54.302 -0.259 1
1 676 . 19 1 1 A 65 65 ASP CB C 65 41.279 41.390 -0.111 1
1 677 . 19 1 1 A 65 65 ASP N N 65 124.473 126.355 -1.882 1
1 678 . 19 1 1 A 66 66 GLN H H 66 8.316 8.352 -0.036 1
1 679 . 19 1 1 A 66 66 GLN HA H 66 4.290 4.582 -0.292 1
1 686 . 19 1 1 A 66 66 GLN C C 66 175.877 174.772 1.105 1
1 687 . 19 1 1 A 66 66 GLN CA C 66 55.992 55.714 0.278 1
1 688 . 19 1 1 A 66 66 GLN CB C 66 29.565 28.519 1.046 1
1 690 . 19 1 1 A 66 66 GLN N N 66 120.317 124.751 -4.434 1
1 692 . 19 1 1 A 67 67 ASP H H 67 8.438 8.413 0.025 1
1 693 . 19 1 1 A 67 67 ASP HA H 67 4.619 4.766 -0.147 1
1 696 . 19 1 1 A 67 67 ASP C C 67 176.300 175.943 0.357 1
1 697 . 19 1 1 A 67 67 ASP CA C 67 54.535 55.391 -0.856 1
1 698 . 19 1 1 A 67 67 ASP CB C 67 41.210 42.200 -0.990 1
1 699 . 19 1 1 A 67 67 ASP N N 67 121.942 123.423 -1.481 1
1 700 . 19 1 1 A 68 68 SER H H 68 8.274 8.267 0.007 1
1 701 . 19 1 1 A 68 68 SER HA H 68 4.476 3.990 0.486 1
1 704 . 19 1 1 A 68 68 SER C C 68 174.516 174.817 -0.301 1
1 705 . 19 1 1 A 68 68 SER CA C 68 58.615 60.965 -2.350 1
1 706 . 19 1 1 A 68 68 SER CB C 68 63.911 61.351 2.560 1
1 707 . 19 1 1 A 68 68 SER N N 68 116.099 114.450 1.649 1
1 708 . 19 1 1 A 69 69 CYS H H 69 8.589 8.780 -0.191 1
1 709 . 19 1 1 A 69 69 CYS HA H 69 4.719 4.123 0.596 1
1 712 . 19 1 1 A 69 69 CYS C C 69 174.437 173.539 0.898 1
1 713 . 19 1 1 A 69 69 CYS CA C 69 55.620 60.018 -4.398 1
1 714 . 19 1 1 A 69 69 CYS CB C 69 40.727 41.737 -1.010 1
1 715 . 19 1 1 A 69 69 CYS N N 69 120.951 119.819 1.132 1
1 716 . 19 1 1 A 70 70 VAL H H 70 8.150 7.729 0.421 1
1 717 . 19 1 1 A 70 70 VAL HA H 70 4.193 4.664 -0.471 1
1 725 . 19 1 1 A 70 70 VAL C C 70 174.771 173.931 0.840 1
1 726 . 19 1 1 A 70 70 VAL CA C 70 62.021 59.732 2.289 1
1 727 . 19 1 1 A 70 70 VAL CB C 70 33.168 34.941 -1.773 1
1 730 . 19 1 1 A 70 70 VAL N N 70 120.979 116.409 4.570 1
1 2 . 20 1 1 A 2 2 ASP H H 2 8.270 8.586 -0.316 1
1 3 . 20 1 1 A 2 2 ASP HA H 2 4.706 4.956 -0.250 1
1 6 . 20 1 1 A 2 2 ASP C C 2 176.240 175.835 0.405 1
1 7 . 20 1 1 A 2 2 ASP CA C 2 54.448 53.295 1.153 1
1 8 . 20 1 1 A 2 2 ASP CB C 2 41.396 42.011 -0.615 1
1 9 . 20 1 1 A 2 2 ASP N N 2 116.604 126.151 -9.547 1
1 10 . 20 1 1 A 3 3 VAL H H 3 8.197 8.946 -0.749 1
1 11 . 20 1 1 A 3 3 VAL HA H 3 4.090 4.329 -0.239 1
1 19 . 20 1 1 A 3 3 VAL C C 3 175.880 175.131 0.749 1
1 20 . 20 1 1 A 3 3 VAL CA C 3 62.509 62.468 0.041 1
1 21 . 20 1 1 A 3 3 VAL CB C 3 32.701 34.296 -1.595 1
1 24 . 20 1 1 A 3 3 VAL N N 3 119.871 118.449 1.422 1
1 25 . 20 1 1 A 4 4 ASN H H 4 8.502 7.803 0.699 1
1 26 . 20 1 1 A 4 4 ASN HA H 4 4.700 5.034 -0.334 1
1 31 . 20 1 1 A 4 4 ASN C C 4 175.378 173.666 1.712 1
1 32 . 20 1 1 A 4 4 ASN CA C 4 53.427 52.918 0.509 1
1 33 . 20 1 1 A 4 4 ASN CB C 4 39.212 43.011 -3.799 1
1 34 . 20 1 1 A 4 4 ASN N N 4 121.932 118.934 2.998 1
1 36 . 20 1 1 A 5 5 GLU H H 5 8.453 8.783 -0.330 1
1 37 . 20 1 1 A 5 5 GLU HA H 5 4.281 4.488 -0.207 1
1 42 . 20 1 1 A 5 5 GLU C C 5 176.502 177.968 -1.466 1
1 43 . 20 1 1 A 5 5 GLU CA C 5 56.925 55.656 1.269 1
1 44 . 20 1 1 A 5 5 GLU CB C 5 30.226 30.697 -0.471 1
1 46 . 20 1 1 A 5 5 GLU N N 5 122.108 122.620 -0.512 1
1 47 . 20 1 1 A 6 6 CYS H H 6 8.519 8.769 -0.250 1
1 48 . 20 1 1 A 6 6 CYS HA H 6 4.605 4.243 0.362 1
1 51 . 20 1 1 A 6 6 CYS C C 6 174.876 175.899 -1.023 1
1 52 . 20 1 1 A 6 6 CYS CA C 6 56.068 60.310 -4.242 1
1 53 . 20 1 1 A 6 6 CYS CB C 6 40.544 41.671 -1.127 1
1 54 . 20 1 1 A 6 6 CYS N N 6 119.657 118.815 0.842 1
1 55 . 20 1 1 A 7 7 LEU H H 7 8.372 7.887 0.485 1
1 56 . 20 1 1 A 7 7 LEU HA H 7 4.361 4.195 0.166 1
1 66 . 20 1 1 A 7 7 LEU C C 7 177.534 176.928 0.606 1
1 67 . 20 1 1 A 7 7 LEU CA C 7 55.778 56.699 -0.921 1
1 68 . 20 1 1 A 7 7 LEU CB C 7 42.554 41.750 0.804 1
1 72 . 20 1 1 A 7 7 LEU N N 7 123.198 116.627 6.571 1
1 73 . 20 1 1 A 8 8 THR H H 8 8.018 7.351 0.667 1
1 74 . 20 1 1 A 8 8 THR HA H 8 4.332 4.285 0.047 1
1 79 . 20 1 1 A 8 8 THR C C 8 174.296 174.491 -0.195 1
1 80 . 20 1 1 A 8 8 THR CA C 8 61.745 62.148 -0.403 1
1 81 . 20 1 1 A 8 8 THR CB C 8 69.529 69.900 -0.371 1
1 83 . 20 1 1 A 8 8 THR N N 8 113.232 116.415 -3.183 1
1 84 . 20 1 1 A 9 9 ILE H H 9 7.827 8.468 -0.641 1
1 85 . 20 1 1 A 9 9 ILE HA H 9 4.472 4.567 -0.095 1
1 95 . 20 1 1 A 9 9 ILE C C 9 174.443 175.113 -0.670 1
1 96 . 20 1 1 A 9 9 ILE CA C 9 58.355 58.489 -0.134 1
1 97 . 20 1 1 A 9 9 ILE CB C 9 38.496 37.847 0.649 1
1 101 . 20 1 1 A 9 9 ILE N N 9 123.285 125.251 -1.966 1
1 102 . 20 1 1 A 10 10 PRO HA H 10 4.351 4.623 -0.272 1
1 109 . 20 1 1 A 10 10 PRO C C 10 177.207 177.199 0.008 1
1 110 . 20 1 1 A 10 10 PRO CA C 10 63.599 62.191 1.408 1
1 111 . 20 1 1 A 10 10 PRO CB C 10 31.965 29.183 2.782 1
1 114 . 20 1 1 A 11 11 GLU H H 11 8.555 8.639 -0.084 1
1 115 . 20 1 1 A 11 11 GLU HA H 11 4.053 4.207 -0.154 1
1 120 . 20 1 1 A 11 11 GLU C C 11 176.353 176.491 -0.138 1
1 121 . 20 1 1 A 11 11 GLU CA C 11 56.955 56.828 0.127 1
1 122 . 20 1 1 A 11 11 GLU CB C 11 29.589 29.768 -0.179 1
1 124 . 20 1 1 A 11 11 GLU N N 11 120.562 122.536 -1.974 1
1 125 . 20 1 1 A 12 12 ALA H H 12 8.089 7.494 0.595 1
1 126 . 20 1 1 A 12 12 ALA HA H 12 4.233 4.851 -0.618 1
1 130 . 20 1 1 A 12 12 ALA C C 12 178.135 176.835 1.300 1
1 131 . 20 1 1 A 12 12 ALA CA C 12 53.092 51.856 1.236 1
1 132 . 20 1 1 A 12 12 ALA CB C 12 19.570 20.892 -1.322 1
1 133 . 20 1 1 A 12 12 ALA N N 12 123.927 122.479 1.448 1
1 134 . 20 1 1 A 13 13 CYS H H 13 8.725 8.749 -0.024 1
1 135 . 20 1 1 A 13 13 CYS HA H 13 4.816 5.233 -0.417 1
1 138 . 20 1 1 A 13 13 CYS C C 13 175.490 173.273 2.217 1
1 139 . 20 1 1 A 13 13 CYS CA C 13 52.752 54.748 -1.996 1
1 140 . 20 1 1 A 13 13 CYS CB C 13 36.168 43.039 -6.871 1
1 141 . 20 1 1 A 13 13 CYS N N 13 114.120 118.066 -3.946 1
1 142 . 20 1 1 A 14 14 LYS H H 14 8.246 8.710 -0.464 1
1 143 . 20 1 1 A 14 14 LYS HA H 14 4.027 4.036 -0.009 1
1 152 . 20 1 1 A 14 14 LYS C C 14 177.863 177.531 0.332 1
1 153 . 20 1 1 A 14 14 LYS CA C 14 58.289 58.091 0.198 1
1 154 . 20 1 1 A 14 14 LYS CB C 14 31.489 32.286 -0.797 1
1 158 . 20 1 1 A 14 14 LYS N N 14 121.767 126.224 -4.457 1
1 159 . 20 1 1 A 15 15 GLY H H 15 8.979 8.738 0.241 1
1 160 . 20 1 1 A 15 15 GLY HA2 H 15 4.161 3.917 0.244 1
1 161 . 20 1 1 A 15 15 GLY HA3 H 15 3.765 3.919 -0.154 1
1 162 . 20 1 1 A 15 15 GLY C C 15 173.903 173.598 0.305 1
1 163 . 20 1 1 A 15 15 GLY CA C 15 45.603 45.619 -0.016 1
1 164 . 20 1 1 A 15 15 GLY N N 15 113.508 114.560 -1.052 1
1 165 . 20 1 1 A 16 16 GLU H H 16 8.027 7.771 0.256 1
1 166 . 20 1 1 A 16 16 GLU HA H 16 4.555 4.878 -0.323 1
1 171 . 20 1 1 A 16 16 GLU C C 16 174.310 175.046 -0.736 1
1 172 . 20 1 1 A 16 16 GLU CA C 16 55.213 54.422 0.791 1
1 173 . 20 1 1 A 16 16 GLU CB C 16 31.839 33.556 -1.717 1
1 175 . 20 1 1 A 16 16 GLU N N 16 120.692 119.383 1.309 1
1 176 . 20 1 1 A 17 17 MET H H 17 8.943 8.756 0.187 1
1 177 . 20 1 1 A 17 17 MET HA H 17 4.584 4.999 -0.415 1
1 185 . 20 1 1 A 17 17 MET C C 17 173.801 175.405 -1.604 1
1 186 . 20 1 1 A 17 17 MET CA C 17 55.183 54.217 0.966 1
1 187 . 20 1 1 A 17 17 MET CB C 17 34.221 33.458 0.763 1
1 190 . 20 1 1 A 17 17 MET N N 17 120.713 120.210 0.503 1
1 191 . 20 1 1 A 18 18 LYS H H 18 8.789 8.654 0.135 1
1 192 . 20 1 1 A 18 18 LYS HA H 18 5.083 4.678 0.405 1
1 201 . 20 1 1 A 18 18 LYS C C 18 175.138 174.696 0.442 1
1 202 . 20 1 1 A 18 18 LYS CA C 18 55.726 54.949 0.777 1
1 203 . 20 1 1 A 18 18 LYS CB C 18 35.053 33.694 1.359 1
1 207 . 20 1 1 A 18 18 LYS N N 18 127.261 122.940 4.321 1
1 208 . 20 1 1 A 19 19 CYS H H 19 9.132 9.199 -0.067 1
1 209 . 20 1 1 A 19 19 CYS HA H 19 5.273 5.419 -0.146 1
1 212 . 20 1 1 A 19 19 CYS C C 19 174.193 173.116 1.077 1
1 213 . 20 1 1 A 19 19 CYS CA C 19 54.753 54.500 0.253 1
1 214 . 20 1 1 A 19 19 CYS CB C 19 43.915 43.692 0.223 1
1 215 . 20 1 1 A 19 19 CYS N N 19 126.193 124.909 1.284 1
1 216 . 20 1 1 A 20 20 ILE H H 20 10.001 9.050 0.951 1
1 217 . 20 1 1 A 20 20 ILE HA H 20 5.483 5.485 -0.002 1
1 227 . 20 1 1 A 20 20 ILE C C 20 176.355 175.700 0.655 1
1 228 . 20 1 1 A 20 20 ILE CA C 20 59.977 58.862 1.115 1
1 229 . 20 1 1 A 20 20 ILE CB C 20 42.458 41.243 1.215 1
1 233 . 20 1 1 A 20 20 ILE N N 20 119.415 120.471 -1.056 1
1 234 . 20 1 1 A 21 21 ASN H H 21 8.092 8.024 0.068 1
1 235 . 20 1 1 A 21 21 ASN HA H 21 4.906 4.888 0.018 1
1 240 . 20 1 1 A 21 21 ASN CA C 21 50.729 50.937 -0.208 1
1 241 . 20 1 1 A 21 21 ASN CB C 21 38.492 39.092 -0.600 1
1 245 . 20 1 1 A 22 22 HIS C C 22 174.724 176.659 -1.935 1
1 250 . 20 1 1 A 23 23 TYR H H 23 7.932 7.728 0.204 1
1 251 . 20 1 1 A 23 23 TYR HA H 23 4.785 4.504 0.281 1
1 258 . 20 1 1 A 23 23 TYR C C 23 176.186 175.893 0.293 1
1 259 . 20 1 1 A 23 23 TYR CA C 23 56.891 58.517 -1.626 1
1 260 . 20 1 1 A 23 23 TYR CB C 23 38.509 38.934 -0.425 1
1 265 . 20 1 1 A 23 23 TYR N N 23 117.160 117.534 -0.374 1
1 266 . 20 1 1 A 24 24 GLY HA2 H 24 4.411 4.086 0.325 1
1 267 . 20 1 1 A 24 24 GLY HA3 H 24 3.674 4.098 -0.424 1
1 268 . 20 1 1 A 24 24 GLY C C 24 174.895 174.955 -0.060 1
1 269 . 20 1 1 A 24 24 GLY CA C 24 45.377 45.040 0.337 1
1 270 . 20 1 1 A 25 25 GLY H H 25 8.418 8.267 0.151 1
1 271 . 20 1 1 A 25 25 GLY HA2 H 25 4.461 4.071 0.390 1
1 272 . 20 1 1 A 25 25 GLY HA3 H 25 3.737 4.079 -0.342 1
1 273 . 20 1 1 A 25 25 GLY C C 25 172.832 171.951 0.881 1
1 274 . 20 1 1 A 25 25 GLY CA C 25 44.602 45.528 -0.926 1
1 275 . 20 1 1 A 25 25 GLY N N 25 110.337 108.846 1.491 1
1 276 . 20 1 1 A 26 26 TYR H H 26 8.256 8.925 -0.669 1
1 277 . 20 1 1 A 26 26 TYR HA H 26 6.053 5.315 0.738 1
1 284 . 20 1 1 A 26 26 TYR C C 26 173.625 174.055 -0.430 1
1 285 . 20 1 1 A 26 26 TYR CA C 26 55.921 56.336 -0.415 1
1 286 . 20 1 1 A 26 26 TYR CB C 26 42.690 41.699 0.991 1
1 291 . 20 1 1 A 26 26 TYR N N 26 116.601 123.292 -6.691 1
1 292 . 20 1 1 A 27 27 LEU H H 27 9.227 8.760 0.467 1
1 293 . 20 1 1 A 27 27 LEU HA H 27 4.437 4.722 -0.285 1
1 303 . 20 1 1 A 27 27 LEU C C 27 175.019 175.110 -0.091 1
1 304 . 20 1 1 A 27 27 LEU CA C 27 53.999 53.051 0.948 1
1 305 . 20 1 1 A 27 27 LEU CB C 27 46.334 45.160 1.174 1
1 309 . 20 1 1 A 27 27 LEU N N 27 121.005 127.377 -6.372 1
1 310 . 20 1 1 A 28 28 CYS H H 28 8.801 8.655 0.146 1
1 311 . 20 1 1 A 28 28 CYS HA H 28 5.730 5.545 0.185 1
1 314 . 20 1 1 A 28 28 CYS C C 28 174.452 172.804 1.648 1
1 315 . 20 1 1 A 28 28 CYS CA C 28 51.978 54.322 -2.344 1
1 316 . 20 1 1 A 28 28 CYS CB C 28 37.734 43.356 -5.622 1
1 317 . 20 1 1 A 28 28 CYS N N 28 120.613 120.465 0.148 1
1 318 . 20 1 1 A 29 29 LEU H H 29 9.371 8.718 0.653 1
1 319 . 20 1 1 A 29 29 LEU HA H 29 4.891 4.702 0.189 1
1 329 . 20 1 1 A 29 29 LEU C C 29 173.339 174.361 -1.022 1
1 330 . 20 1 1 A 29 29 LEU CA C 29 51.743 51.647 0.096 1
1 331 . 20 1 1 A 29 29 LEU CB C 29 44.633 43.146 1.487 1
1 335 . 20 1 1 A 29 29 LEU N N 29 127.550 126.896 0.654 1
1 336 . 20 1 1 A 30 30 PRO HA H 30 4.478 4.482 -0.004 1
1 343 . 20 1 1 A 30 30 PRO C C 30 177.206 177.026 0.180 1
1 344 . 20 1 1 A 30 30 PRO CA C 30 62.730 62.705 0.025 1
1 345 . 20 1 1 A 30 30 PRO CB C 30 31.984 32.821 -0.837 1
1 348 . 20 1 1 A 31 31 ARG H H 31 8.856 8.911 -0.055 1
1 349 . 20 1 1 A 31 31 ARG HA H 31 4.189 4.236 -0.047 1
1 357 . 20 1 1 A 31 31 ARG C C 31 176.891 177.568 -0.677 1
1 358 . 20 1 1 A 31 31 ARG CA C 31 56.964 57.045 -0.081 1
1 359 . 20 1 1 A 31 31 ARG CB C 31 30.633 29.977 0.656 1
1 362 . 20 1 1 A 31 31 ARG N N 31 121.660 123.994 -2.334 1
1 364 . 20 1 1 A 32 32 SER H H 32 8.318 7.984 0.334 1
1 365 . 20 1 1 A 32 32 SER HA H 32 4.389 4.380 0.009 1
1 368 . 20 1 1 A 32 32 SER C C 32 174.251 174.255 -0.004 1
1 369 . 20 1 1 A 32 32 SER CA C 32 58.238 60.554 -2.316 1
1 370 . 20 1 1 A 32 32 SER CB C 32 63.821 63.504 0.317 1
1 371 . 20 1 1 A 32 32 SER N N 32 116.432 114.765 1.667 1
1 372 . 20 1 1 A 33 33 ALA H H 33 8.353 7.433 0.920 1
1 373 . 20 1 1 A 33 33 ALA HA H 33 4.307 4.561 -0.254 1
1 377 . 20 1 1 A 33 33 ALA C C 33 177.290 175.842 1.448 1
1 378 . 20 1 1 A 33 33 ALA CA C 33 52.515 51.270 1.245 1
1 379 . 20 1 1 A 33 33 ALA CB C 33 19.358 21.734 -2.376 1
1 380 . 20 1 1 A 33 33 ALA N N 33 126.203 122.101 4.102 1
1 381 . 20 1 1 A 34 34 ALA H H 34 8.178 8.474 -0.296 1
1 382 . 20 1 1 A 34 34 ALA HA H 34 4.280 5.053 -0.773 1
1 386 . 20 1 1 A 34 34 ALA C C 34 177.519 178.841 -1.322 1
1 387 . 20 1 1 A 34 34 ALA CA C 34 52.480 50.226 2.254 1
1 388 . 20 1 1 A 34 34 ALA CB C 34 19.250 21.882 -2.632 1
1 389 . 20 1 1 A 34 34 ALA N N 34 123.091 121.753 1.338 1
1 390 . 20 1 1 A 35 35 VAL H H 35 8.083 8.748 -0.665 1
1 391 . 20 1 1 A 35 35 VAL HA H 35 4.060 4.017 0.043 1
1 399 . 20 1 1 A 35 35 VAL C C 35 176.050 176.365 -0.315 1
1 400 . 20 1 1 A 35 35 VAL CA C 35 62.297 64.334 -2.037 1
1 401 . 20 1 1 A 35 35 VAL CB C 35 32.695 31.604 1.091 1
1 404 . 20 1 1 A 35 35 VAL N N 35 120.060 121.595 -1.535 1
1 405 . 20 1 1 A 36 36 ILE H H 36 8.264 7.584 0.680 1
1 406 . 20 1 1 A 36 36 ILE HA H 36 4.141 4.050 0.091 1
1 416 . 20 1 1 A 36 36 ILE C C 36 175.848 176.474 -0.626 1
1 417 . 20 1 1 A 36 36 ILE CA C 36 60.924 61.287 -0.363 1
1 418 . 20 1 1 A 36 36 ILE CB C 36 38.614 37.508 1.106 1
1 422 . 20 1 1 A 36 36 ILE N N 36 125.147 118.792 6.355 1
1 423 . 20 1 1 A 37 37 ASN H H 37 8.501 7.764 0.737 1
1 424 . 20 1 1 A 37 37 ASN HA H 37 4.702 4.624 0.078 1
1 429 . 20 1 1 A 37 37 ASN C C 37 174.609 174.927 -0.318 1
1 430 . 20 1 1 A 37 37 ASN CA C 37 53.143 55.100 -1.957 1
1 431 . 20 1 1 A 37 37 ASN CB C 37 38.957 38.338 0.619 1
1 432 . 20 1 1 A 37 37 ASN N N 37 123.292 120.727 2.565 1
1 434 . 20 1 1 A 38 38 ASP H H 38 8.326 8.271 0.055 1
1 435 . 20 1 1 A 38 38 ASP HA H 38 4.562 4.286 0.276 1
1 438 . 20 1 1 A 38 38 ASP C C 38 176.188 175.817 0.371 1
1 439 . 20 1 1 A 38 38 ASP CA C 38 54.218 54.821 -0.603 1
1 440 . 20 1 1 A 38 38 ASP CB C 38 41.133 39.225 1.908 1
1 441 . 20 1 1 A 38 38 ASP N N 38 121.317 119.692 1.625 1
1 442 . 20 1 1 A 39 39 LEU H H 39 8.188 7.486 0.702 1
1 443 . 20 1 1 A 39 39 LEU HA H 39 4.242 4.397 -0.155 1
1 453 . 20 1 1 A 39 39 LEU C C 39 177.515 176.715 0.800 1
1 454 . 20 1 1 A 39 39 LEU CA C 39 55.501 54.886 0.615 1
1 455 . 20 1 1 A 39 39 LEU CB C 39 42.030 42.644 -0.614 1
1 459 . 20 1 1 A 39 39 LEU N N 39 122.367 116.082 6.285 1
1 460 . 20 1 1 A 40 40 HIS H H 40 8.418 8.585 -0.167 1
1 461 . 20 1 1 A 40 40 HIS HA H 40 4.636 4.654 -0.018 1
1 466 . 20 1 1 A 40 40 HIS C C 40 175.495 175.229 0.266 1
1 467 . 20 1 1 A 40 40 HIS CA C 40 55.920 55.591 0.329 1
1 468 . 20 1 1 A 40 40 HIS CB C 40 29.633 30.395 -0.762 1
1 471 . 20 1 1 A 40 40 HIS N N 40 118.989 118.370 0.619 1
1 474 . 20 1 1 A 41 41 GLY H H 41 8.258 8.689 -0.431 1
1 475 . 20 1 1 A 41 41 GLY HA2 H 41 3.969 4.320 -0.351 1
1 476 . 20 1 1 A 41 41 GLY HA3 H 41 3.952 4.346 -0.394 1
1 477 . 20 1 1 A 41 41 GLY C C 41 174.007 174.629 -0.622 1
1 478 . 20 1 1 A 41 41 GLY CA C 41 45.363 44.115 1.248 1
1 479 . 20 1 1 A 41 41 GLY N N 41 109.714 108.655 1.059 1
1 480 . 20 1 1 A 42 42 GLU H H 42 8.406 8.733 -0.327 1
1 481 . 20 1 1 A 42 42 GLU HA H 42 4.378 4.463 -0.085 1
1 486 . 20 1 1 A 42 42 GLU C C 42 176.668 175.888 0.780 1
1 487 . 20 1 1 A 42 42 GLU CA C 42 56.278 56.222 0.056 1
1 488 . 20 1 1 A 42 42 GLU CB C 42 30.473 30.146 0.327 1
1 490 . 20 1 1 A 42 42 GLU N N 42 120.561 120.617 -0.056 1
1 491 . 20 1 1 A 43 43 GLY H H 43 8.284 7.356 0.928 1
1 492 . 20 1 1 A 43 43 GLY HA2 H 43 4.100 4.119 -0.019 1
1 493 . 20 1 1 A 43 43 GLY HA3 H 43 4.099 4.121 -0.022 1
1 494 . 20 1 1 A 43 43 GLY C C 43 171.027 172.526 -1.499 1
1 495 . 20 1 1 A 43 43 GLY CA C 43 44.399 45.066 -0.667 1
1 496 . 20 1 1 A 43 43 GLY N N 43 110.014 108.037 1.977 1
1 498 . 20 1 1 A 47 47 PRO C C 47 176.172 175.542 0.630 1
1 499 . 20 1 1 A 47 47 PRO CB C 47 32.134 29.509 2.625 1
1 500 . 20 1 1 A 48 48 VAL H H 48 8.585 8.310 0.275 1
1 501 . 20 1 1 A 48 48 VAL HA H 48 4.438 4.799 -0.361 1
1 508 . 20 1 1 A 48 48 VAL C C 48 174.309 174.017 0.292 1
1 509 . 20 1 1 A 48 48 VAL CA C 48 59.190 58.517 0.673 1
1 512 . 20 1 1 A 48 48 VAL N N 48 125.965 117.495 8.470 1
1 513 . 20 1 1 A 50 50 PRO HA H 50 4.353 4.373 -0.020 1
1 520 . 20 1 1 A 50 50 PRO C C 50 176.824 176.830 -0.006 1
1 521 . 20 1 1 A 50 50 PRO CA C 50 63.194 64.579 -1.385 1
1 522 . 20 1 1 A 50 50 PRO CB C 50 32.006 31.621 0.385 1
1 525 . 20 1 1 A 51 51 ALA H H 51 8.301 8.198 0.103 1
1 526 . 20 1 1 A 51 51 ALA HA H 51 4.241 4.384 -0.143 1
1 530 . 20 1 1 A 51 51 ALA C C 51 177.617 176.232 1.385 1
1 531 . 20 1 1 A 51 51 ALA CA C 51 52.717 51.449 1.268 1
1 532 . 20 1 1 A 51 51 ALA CB C 51 19.211 17.384 1.827 1
1 533 . 20 1 1 A 51 51 ALA N N 51 122.996 120.097 2.899 1
1 534 . 20 1 1 A 52 52 GLN H H 52 8.165 7.606 0.559 1
1 535 . 20 1 1 A 52 52 GLN HA H 52 4.266 4.707 -0.441 1
1 542 . 20 1 1 A 52 52 GLN C C 52 175.394 174.049 1.345 1
1 543 . 20 1 1 A 52 52 GLN CA C 52 55.582 54.755 0.827 1
1 544 . 20 1 1 A 52 52 GLN CB C 52 29.636 32.844 -3.208 1
1 546 . 20 1 1 A 52 52 GLN N N 52 118.178 121.206 -3.028 1
1 548 . 20 1 1 A 53 53 HIS H H 53 8.395 8.561 -0.166 1
1 549 . 20 1 1 A 53 53 HIS HA H 53 4.872 4.790 0.082 1
1 554 . 20 1 1 A 53 53 HIS C C 53 173.260 175.766 -2.506 1
1 555 . 20 1 1 A 53 53 HIS CA C 53 54.036 54.672 -0.636 1
1 556 . 20 1 1 A 53 53 HIS CB C 53 29.841 30.546 -0.705 1
1 559 . 20 1 1 A 53 53 HIS N N 53 121.522 120.509 1.013 1
1 562 . 20 1 1 A 54 54 PRO HA H 54 4.547 4.225 0.322 1
1 569 . 20 1 1 A 54 54 PRO C C 54 176.605 176.857 -0.252 1
1 570 . 20 1 1 A 54 54 PRO CA C 54 62.997 64.958 -1.961 1
1 571 . 20 1 1 A 54 54 PRO CB C 54 32.349 31.797 0.552 1
1 574 . 20 1 1 A 55 55 ASN H H 55 8.646 8.143 0.503 1
1 575 . 20 1 1 A 55 55 ASN HA H 55 4.969 4.413 0.556 1
1 580 . 20 1 1 A 55 55 ASN C C 55 171.312 175.875 -4.563 1
1 581 . 20 1 1 A 55 55 ASN CA C 55 50.412 53.597 -3.185 1
1 582 . 20 1 1 A 55 55 ASN CB C 55 39.150 37.016 2.134 1
1 583 . 20 1 1 A 55 55 ASN N N 55 119.583 114.155 5.428 1
1 585 . 20 1 1 A 56 56 PRO HA H 56 4.400 4.467 -0.067 1
1 592 . 20 1 1 A 56 56 PRO C C 56 176.686 176.400 0.286 1
1 593 . 20 1 1 A 56 56 PRO CA C 56 63.273 64.092 -0.819 1
1 594 . 20 1 1 A 56 56 PRO CB C 56 31.783 31.660 0.123 1
1 597 . 20 1 1 A 57 57 CYS H H 57 7.831 7.997 -0.166 1
1 598 . 20 1 1 A 57 57 CYS HA H 57 4.443 4.728 -0.285 1
1 601 . 20 1 1 A 57 57 CYS C C 57 173.881 172.075 1.806 1
1 602 . 20 1 1 A 57 57 CYS CA C 57 59.103 55.673 3.430 1
1 603 . 20 1 1 A 57 57 CYS CB C 57 32.909 42.295 -9.386 1
1 604 . 20 1 1 A 57 57 CYS N N 57 119.502 118.620 0.882 1
1 605 . 20 1 1 A 59 59 PRO HA H 59 4.385 4.321 0.064 1
1 612 . 20 1 1 A 59 59 PRO C C 59 177.996 177.457 0.539 1
1 613 . 20 1 1 A 59 59 PRO CA C 59 64.249 64.032 0.217 1
1 614 . 20 1 1 A 59 59 PRO CB C 59 31.776 31.480 0.296 1
1 617 . 20 1 1 A 60 60 GLY H H 60 8.761 8.978 -0.217 1
1 618 . 20 1 1 A 60 60 GLY HA2 H 60 4.302 3.932 0.370 1
1 619 . 20 1 1 A 60 60 GLY HA3 H 60 3.619 4.055 -0.436 1
1 620 . 20 1 1 A 60 60 GLY C C 60 173.861 173.959 -0.098 1
1 621 . 20 1 1 A 60 60 GLY CA C 60 44.888 45.266 -0.378 1
1 622 . 20 1 1 A 60 60 GLY N N 60 112.485 112.903 -0.418 1
1 623 . 20 1 1 A 61 61 TYR H H 61 8.522 8.225 0.297 1
1 624 . 20 1 1 A 61 61 TYR HA H 61 5.083 4.742 0.341 1
1 631 . 20 1 1 A 61 61 TYR C C 61 174.910 175.459 -0.549 1
1 632 . 20 1 1 A 61 61 TYR CA C 61 56.152 57.704 -1.552 1
1 633 . 20 1 1 A 61 61 TYR CB C 61 42.124 40.998 1.126 1
1 638 . 20 1 1 A 61 61 TYR N N 61 118.801 120.033 -1.232 1
1 639 . 20 1 1 A 62 62 GLU H H 62 9.129 9.388 -0.259 1
1 640 . 20 1 1 A 62 62 GLU HA H 62 4.962 4.918 0.044 1
1 645 . 20 1 1 A 62 62 GLU C C 62 173.115 173.704 -0.589 1
1 646 . 20 1 1 A 62 62 GLU CA C 62 53.654 53.862 -0.208 1
1 647 . 20 1 1 A 62 62 GLU CB C 62 31.928 32.901 -0.973 1
1 649 . 20 1 1 A 62 62 GLU N N 62 118.016 119.494 -1.478 1
1 650 . 20 1 1 A 63 63 PRO HA H 63 4.743 4.438 0.305 1
1 657 . 20 1 1 A 63 63 PRO C C 63 177.040 175.841 1.199 1
1 658 . 20 1 1 A 63 63 PRO CA C 63 63.759 62.971 0.788 1
1 659 . 20 1 1 A 63 63 PRO CB C 63 32.352 31.832 0.520 1
1 662 . 20 1 1 A 64 64 ASP H H 64 8.595 8.583 0.012 1
1 663 . 20 1 1 A 64 64 ASP HA H 64 4.679 4.946 -0.267 1
1 666 . 20 1 1 A 64 64 ASP C C 64 175.960 174.476 1.484 1
1 667 . 20 1 1 A 64 64 ASP CA C 64 53.790 53.385 0.405 1
1 668 . 20 1 1 A 64 64 ASP CB C 64 42.611 42.610 0.001 1
1 669 . 20 1 1 A 64 64 ASP N N 64 122.807 122.399 0.408 1
1 670 . 20 1 1 A 65 65 ASP H H 65 8.437 8.716 -0.279 1
1 671 . 20 1 1 A 65 65 ASP HA H 65 4.701 5.044 -0.343 1
1 674 . 20 1 1 A 65 65 ASP C C 65 176.412 174.712 1.700 1
1 675 . 20 1 1 A 65 65 ASP CA C 65 54.043 53.435 0.608 1
1 676 . 20 1 1 A 65 65 ASP CB C 65 41.279 41.744 -0.465 1
1 677 . 20 1 1 A 65 65 ASP N N 65 124.473 125.147 -0.674 1
1 678 . 20 1 1 A 66 66 GLN H H 66 8.316 8.886 -0.570 1
1 679 . 20 1 1 A 66 66 GLN HA H 66 4.290 5.174 -0.884 1
1 686 . 20 1 1 A 66 66 GLN C C 66 175.877 173.837 2.040 1
1 687 . 20 1 1 A 66 66 GLN CA C 66 55.992 54.315 1.677 1
1 688 . 20 1 1 A 66 66 GLN CB C 66 29.565 31.179 -1.614 1
1 690 . 20 1 1 A 66 66 GLN N N 66 120.317 122.880 -2.563 1
1 692 . 20 1 1 A 67 67 ASP H H 67 8.438 8.972 -0.534 1
1 693 . 20 1 1 A 67 67 ASP HA H 67 4.619 5.088 -0.469 1
1 696 . 20 1 1 A 67 67 ASP C C 67 176.300 175.004 1.296 1
1 697 . 20 1 1 A 67 67 ASP CA C 67 54.535 53.226 1.309 1
1 698 . 20 1 1 A 67 67 ASP CB C 67 41.210 41.073 0.137 1
1 699 . 20 1 1 A 67 67 ASP N N 67 121.942 126.446 -4.504 1
1 700 . 20 1 1 A 68 68 SER H H 68 8.274 8.689 -0.415 1
1 701 . 20 1 1 A 68 68 SER HA H 68 4.476 4.690 -0.214 1
1 704 . 20 1 1 A 68 68 SER C C 68 174.516 173.843 0.673 1
1 705 . 20 1 1 A 68 68 SER CA C 68 58.615 57.863 0.752 1
1 706 . 20 1 1 A 68 68 SER CB C 68 63.911 62.516 1.395 1
1 707 . 20 1 1 A 68 68 SER N N 68 116.099 119.213 -3.114 1
1 708 . 20 1 1 A 69 69 CYS H H 69 8.589 8.669 -0.080 1
1 709 . 20 1 1 A 69 69 CYS HA H 69 4.719 5.182 -0.463 1
1 712 . 20 1 1 A 69 69 CYS C C 69 174.437 172.618 1.819 1
1 713 . 20 1 1 A 69 69 CYS CA C 69 55.620 55.111 0.509 1
1 714 . 20 1 1 A 69 69 CYS CB C 69 40.727 43.455 -2.728 1
1 715 . 20 1 1 A 69 69 CYS N N 69 120.951 122.827 -1.876 1
1 716 . 20 1 1 A 70 70 VAL H H 70 8.150 8.640 -0.490 1
1 717 . 20 1 1 A 70 70 VAL HA H 70 4.193 4.127 0.066 1
1 725 . 20 1 1 A 70 70 VAL C C 70 174.771 174.491 0.280 1
1 726 . 20 1 1 A 70 70 VAL CA C 70 62.021 62.676 -0.655 1
1 727 . 20 1 1 A 70 70 VAL CB C 70 33.168 32.741 0.427 1
1 730 . 20 1 1 A 70 70 VAL N N 70 120.979 127.434 -6.455 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 63 1.267 1
2 1 1 1 "RMS(OBS, PRED)" CA 62 1.435 1
3 1 1 1 "RMS(OBS, PRED)" CB 56 2.213 1
4 1 1 1 "RMS(OBS, PRED)" H 54 0.500 1
5 1 1 1 "RMS(OBS, PRED)" HA 68 0.295 1
6 1 1 1 "RMS(OBS, PRED)" N 53 3.691 1
7 1 2 1 "RMS(OBS, PRED)" C 63 1.285 1
8 1 2 1 "RMS(OBS, PRED)" CA 62 1.420 1
9 1 2 1 "RMS(OBS, PRED)" CB 56 2.333 1
10 1 2 1 "RMS(OBS, PRED)" H 54 0.512 1
11 1 2 1 "RMS(OBS, PRED)" HA 68 0.315 1
12 1 2 1 "RMS(OBS, PRED)" N 53 3.501 1
13 1 3 1 "RMS(OBS, PRED)" C 63 1.175 1
14 1 3 1 "RMS(OBS, PRED)" CA 62 1.245 1
15 1 3 1 "RMS(OBS, PRED)" CB 56 2.183 1
16 1 3 1 "RMS(OBS, PRED)" H 54 0.497 1
17 1 3 1 "RMS(OBS, PRED)" HA 68 0.259 1
18 1 3 1 "RMS(OBS, PRED)" N 53 3.607 1
19 1 4 1 "RMS(OBS, PRED)" C 63 1.188 1
20 1 4 1 "RMS(OBS, PRED)" CA 62 1.562 1
21 1 4 1 "RMS(OBS, PRED)" CB 56 2.273 1
22 1 4 1 "RMS(OBS, PRED)" H 54 0.507 1
23 1 4 1 "RMS(OBS, PRED)" HA 68 0.333 1
24 1 4 1 "RMS(OBS, PRED)" N 53 3.880 1
25 1 5 1 "RMS(OBS, PRED)" C 63 1.310 1
26 1 5 1 "RMS(OBS, PRED)" CA 62 1.538 1
27 1 5 1 "RMS(OBS, PRED)" CB 56 2.430 1
28 1 5 1 "RMS(OBS, PRED)" H 54 0.431 1
29 1 5 1 "RMS(OBS, PRED)" HA 68 0.347 1
30 1 5 1 "RMS(OBS, PRED)" N 53 3.777 1
31 1 6 1 "RMS(OBS, PRED)" C 63 1.158 1
32 1 6 1 "RMS(OBS, PRED)" CA 62 1.410 1
33 1 6 1 "RMS(OBS, PRED)" CB 56 2.429 1
34 1 6 1 "RMS(OBS, PRED)" H 54 0.556 1
35 1 6 1 "RMS(OBS, PRED)" HA 68 0.313 1
36 1 6 1 "RMS(OBS, PRED)" N 53 3.619 1
37 1 7 1 "RMS(OBS, PRED)" C 63 1.253 1
38 1 7 1 "RMS(OBS, PRED)" CA 62 1.526 1
39 1 7 1 "RMS(OBS, PRED)" CB 56 2.418 1
40 1 7 1 "RMS(OBS, PRED)" H 54 0.484 1
41 1 7 1 "RMS(OBS, PRED)" HA 68 0.341 1
42 1 7 1 "RMS(OBS, PRED)" N 53 3.831 1
43 1 8 1 "RMS(OBS, PRED)" C 63 1.329 1
44 1 8 1 "RMS(OBS, PRED)" CA 62 1.630 1
45 1 8 1 "RMS(OBS, PRED)" CB 56 2.349 1
46 1 8 1 "RMS(OBS, PRED)" H 54 0.479 1
47 1 8 1 "RMS(OBS, PRED)" HA 68 0.324 1
48 1 8 1 "RMS(OBS, PRED)" N 53 3.453 1
49 1 9 1 "RMS(OBS, PRED)" C 63 1.380 1
50 1 9 1 "RMS(OBS, PRED)" CA 62 1.482 1
51 1 9 1 "RMS(OBS, PRED)" CB 56 2.456 1
52 1 9 1 "RMS(OBS, PRED)" H 54 0.506 1
53 1 9 1 "RMS(OBS, PRED)" HA 68 0.342 1
54 1 9 1 "RMS(OBS, PRED)" N 53 3.675 1
55 1 10 1 "RMS(OBS, PRED)" C 63 1.194 1
56 1 10 1 "RMS(OBS, PRED)" CA 62 1.308 1
57 1 10 1 "RMS(OBS, PRED)" CB 56 2.315 1
58 1 10 1 "RMS(OBS, PRED)" H 54 0.425 1
59 1 10 1 "RMS(OBS, PRED)" HA 68 0.304 1
60 1 10 1 "RMS(OBS, PRED)" N 53 3.532 1
61 1 11 1 "RMS(OBS, PRED)" C 63 1.314 1
62 1 11 1 "RMS(OBS, PRED)" CA 62 1.589 1
63 1 11 1 "RMS(OBS, PRED)" CB 56 2.431 1
64 1 11 1 "RMS(OBS, PRED)" H 54 0.478 1
65 1 11 1 "RMS(OBS, PRED)" HA 68 0.322 1
66 1 11 1 "RMS(OBS, PRED)" N 53 3.629 1
67 1 12 1 "RMS(OBS, PRED)" C 63 1.187 1
68 1 12 1 "RMS(OBS, PRED)" CA 62 1.245 1
69 1 12 1 "RMS(OBS, PRED)" CB 56 2.210 1
70 1 12 1 "RMS(OBS, PRED)" H 54 0.461 1
71 1 12 1 "RMS(OBS, PRED)" HA 68 0.307 1
72 1 12 1 "RMS(OBS, PRED)" N 53 3.573 1
73 1 13 1 "RMS(OBS, PRED)" C 63 1.262 1
74 1 13 1 "RMS(OBS, PRED)" CA 62 1.309 1
75 1 13 1 "RMS(OBS, PRED)" CB 56 2.351 1
76 1 13 1 "RMS(OBS, PRED)" H 54 0.472 1
77 1 13 1 "RMS(OBS, PRED)" HA 68 0.309 1
78 1 13 1 "RMS(OBS, PRED)" N 53 3.365 1
79 1 14 1 "RMS(OBS, PRED)" C 63 1.166 1
80 1 14 1 "RMS(OBS, PRED)" CA 62 1.442 1
81 1 14 1 "RMS(OBS, PRED)" CB 56 2.532 1
82 1 14 1 "RMS(OBS, PRED)" H 54 0.382 1
83 1 14 1 "RMS(OBS, PRED)" HA 68 0.349 1
84 1 14 1 "RMS(OBS, PRED)" N 53 3.164 1
85 1 15 1 "RMS(OBS, PRED)" C 63 1.312 1
86 1 15 1 "RMS(OBS, PRED)" CA 62 1.558 1
87 1 15 1 "RMS(OBS, PRED)" CB 56 2.379 1
88 1 15 1 "RMS(OBS, PRED)" H 54 0.519 1
89 1 15 1 "RMS(OBS, PRED)" HA 68 0.305 1
90 1 15 1 "RMS(OBS, PRED)" N 53 3.543 1
91 1 16 1 "RMS(OBS, PRED)" C 63 1.275 1
92 1 16 1 "RMS(OBS, PRED)" CA 62 1.455 1
93 1 16 1 "RMS(OBS, PRED)" CB 56 2.311 1
94 1 16 1 "RMS(OBS, PRED)" H 54 0.474 1
95 1 16 1 "RMS(OBS, PRED)" HA 68 0.348 1
96 1 16 1 "RMS(OBS, PRED)" N 53 3.289 1
97 1 17 1 "RMS(OBS, PRED)" C 63 1.223 1
98 1 17 1 "RMS(OBS, PRED)" CA 62 1.241 1
99 1 17 1 "RMS(OBS, PRED)" CB 56 2.411 1
100 1 17 1 "RMS(OBS, PRED)" H 54 0.504 1
101 1 17 1 "RMS(OBS, PRED)" HA 68 0.291 1
102 1 17 1 "RMS(OBS, PRED)" N 53 3.567 1
103 1 18 1 "RMS(OBS, PRED)" C 63 1.264 1
104 1 18 1 "RMS(OBS, PRED)" CA 62 1.408 1
105 1 18 1 "RMS(OBS, PRED)" CB 56 2.382 1
106 1 18 1 "RMS(OBS, PRED)" H 54 0.429 1
107 1 18 1 "RMS(OBS, PRED)" HA 68 0.345 1
108 1 18 1 "RMS(OBS, PRED)" N 53 3.562 1
109 1 19 1 "RMS(OBS, PRED)" C 63 1.205 1
110 1 19 1 "RMS(OBS, PRED)" CA 62 1.539 1
111 1 19 1 "RMS(OBS, PRED)" CB 56 2.362 1
112 1 19 1 "RMS(OBS, PRED)" H 54 0.474 1
113 1 19 1 "RMS(OBS, PRED)" HA 68 0.342 1
114 1 19 1 "RMS(OBS, PRED)" N 53 3.584 1
115 1 20 1 "RMS(OBS, PRED)" C 63 1.197 1
116 1 20 1 "RMS(OBS, PRED)" CA 62 1.328 1
117 1 20 1 "RMS(OBS, PRED)" CB 56 2.222 1
118 1 20 1 "RMS(OBS, PRED)" H 54 0.465 1
119 1 20 1 "RMS(OBS, PRED)" HA 68 0.316 1
120 1 20 1 "RMS(OBS, PRED)" N 53 3.522 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 2 . 1 1 A 2 2 ASP H H 2 8.270 8.558 -0.288 2
1 3 . 1 1 A 2 2 ASP HA H 2 4.706 4.719 -0.013 2
1 6 . 1 1 A 2 2 ASP C C 2 176.240 175.970 0.270 2
1 7 . 1 1 A 2 2 ASP CA C 2 54.448 54.982 -0.534 2
1 8 . 1 1 A 2 2 ASP CB C 2 41.396 41.618 -0.222 2
1 9 . 1 1 A 2 2 ASP N N 2 116.604 123.541 -6.937 2
1 10 . 1 1 A 3 3 VAL H H 3 8.197 8.064 0.133 2
1 11 . 1 1 A 3 3 VAL HA H 3 4.090 4.420 -0.330 2
1 19 . 1 1 A 3 3 VAL C C 3 175.880 174.673 1.207 2
1 20 . 1 1 A 3 3 VAL CA C 3 62.509 61.520 0.989 2
1 21 . 1 1 A 3 3 VAL CB C 3 32.701 33.131 -0.430 2
1 24 . 1 1 A 3 3 VAL N N 3 119.871 118.646 1.225 2
1 25 . 1 1 A 4 4 ASN H H 4 8.502 8.638 -0.136 2
1 26 . 1 1 A 4 4 ASN HA H 4 4.700 5.204 -0.504 2
1 31 . 1 1 A 4 4 ASN C C 4 175.378 174.505 0.873 2
1 32 . 1 1 A 4 4 ASN CA C 4 53.427 52.096 1.331 2
1 33 . 1 1 A 4 4 ASN CB C 4 39.212 41.495 -2.283 2
1 34 . 1 1 A 4 4 ASN N N 4 121.932 124.268 -2.336 2
1 36 . 1 1 A 5 5 GLU H H 5 8.453 8.787 -0.334 2
1 37 . 1 1 A 5 5 GLU HA H 5 4.281 4.512 -0.231 2
1 42 . 1 1 A 5 5 GLU C C 5 176.502 177.311 -0.809 2
1 43 . 1 1 A 5 5 GLU CA C 5 56.925 55.494 1.431 2
1 44 . 1 1 A 5 5 GLU CB C 5 30.226 30.805 -0.579 2
1 46 . 1 1 A 5 5 GLU N N 5 122.108 121.314 0.794 2
1 47 . 1 1 A 6 6 CYS H H 6 8.519 8.607 -0.088 2
1 48 . 1 1 A 6 6 CYS HA H 6 4.605 4.496 0.109 2
1 51 . 1 1 A 6 6 CYS C C 6 174.876 174.582 0.294 2
1 52 . 1 1 A 6 6 CYS CA C 6 56.068 57.593 -1.525 2
1 53 . 1 1 A 6 6 CYS CB C 6 40.544 41.815 -1.271 2
1 54 . 1 1 A 6 6 CYS N N 6 119.657 119.181 0.476 2
1 55 . 1 1 A 7 7 LEU H H 7 8.372 7.846 0.526 2
1 56 . 1 1 A 7 7 LEU HA H 7 4.361 4.395 -0.034 2
1 66 . 1 1 A 7 7 LEU C C 7 177.534 176.726 0.808 2
1 67 . 1 1 A 7 7 LEU CA C 7 55.778 55.303 0.474 2
1 68 . 1 1 A 7 7 LEU CB C 7 42.554 41.779 0.775 2
1 72 . 1 1 A 7 7 LEU N N 7 123.198 117.222 5.976 2
1 73 . 1 1 A 8 8 THR H H 8 8.018 7.497 0.521 2
1 74 . 1 1 A 8 8 THR HA H 8 4.332 4.292 0.040 2
1 79 . 1 1 A 8 8 THR C C 8 174.296 174.513 -0.217 2
1 80 . 1 1 A 8 8 THR CA C 8 61.745 62.335 -0.590 2
1 81 . 1 1 A 8 8 THR CB C 8 69.529 69.874 -0.345 2
1 83 . 1 1 A 8 8 THR N N 8 113.232 116.037 -2.805 2
1 84 . 1 1 A 9 9 ILE H H 9 7.827 8.507 -0.680 2
1 85 . 1 1 A 9 9 ILE HA H 9 4.472 4.460 0.012 2
1 95 . 1 1 A 9 9 ILE C C 9 174.443 175.054 -0.611 2
1 96 . 1 1 A 9 9 ILE CA C 9 58.355 58.959 -0.604 2
1 97 . 1 1 A 9 9 ILE CB C 9 38.496 37.974 0.522 2
1 101 . 1 1 A 9 9 ILE N N 9 123.285 125.895 -2.610 2
1 102 . 1 1 A 10 10 PRO HA H 10 4.351 4.589 -0.238 2
1 109 . 1 1 A 10 10 PRO C C 10 177.207 177.017 0.190 2
1 110 . 1 1 A 10 10 PRO CA C 10 63.599 62.435 1.164 2
1 111 . 1 1 A 10 10 PRO CB C 10 31.965 29.687 2.278 2
1 114 . 1 1 A 11 11 GLU H H 11 8.555 8.769 -0.214 2
1 115 . 1 1 A 11 11 GLU HA H 11 4.053 4.206 -0.153 2
1 120 . 1 1 A 11 11 GLU C C 11 176.353 176.515 -0.162 2
1 121 . 1 1 A 11 11 GLU CA C 11 56.955 57.222 -0.268 2
1 122 . 1 1 A 11 11 GLU CB C 11 29.589 30.096 -0.507 2
1 124 . 1 1 A 11 11 GLU N N 11 120.562 122.299 -1.737 2
1 125 . 1 1 A 12 12 ALA H H 12 8.089 7.541 0.548 2
1 126 . 1 1 A 12 12 ALA HA H 12 4.233 4.745 -0.512 2
1 130 . 1 1 A 12 12 ALA C C 12 178.135 176.390 1.745 2
1 131 . 1 1 A 12 12 ALA CA C 12 53.092 51.301 1.791 2
1 132 . 1 1 A 12 12 ALA CB C 12 19.570 21.715 -2.145 2
1 133 . 1 1 A 12 12 ALA N N 12 123.927 121.097 2.830 2
1 134 . 1 1 A 13 13 CYS H H 13 8.725 8.683 0.042 2
1 135 . 1 1 A 13 13 CYS HA H 13 4.816 5.222 -0.406 2
1 138 . 1 1 A 13 13 CYS C C 13 175.490 173.284 2.206 2
1 139 . 1 1 A 13 13 CYS CA C 13 52.752 54.730 -1.978 2
1 140 . 1 1 A 13 13 CYS CB C 13 36.168 43.330 -7.162 2
1 141 . 1 1 A 13 13 CYS N N 13 114.120 118.032 -3.912 2
1 142 . 1 1 A 14 14 LYS H H 14 8.246 8.690 -0.444 2
1 143 . 1 1 A 14 14 LYS HA H 14 4.027 4.017 0.010 2
1 152 . 1 1 A 14 14 LYS C C 14 177.863 177.527 0.336 2
1 153 . 1 1 A 14 14 LYS CA C 14 58.289 58.102 0.187 2
1 154 . 1 1 A 14 14 LYS CB C 14 31.489 32.289 -0.800 2
1 158 . 1 1 A 14 14 LYS N N 14 121.767 125.982 -4.215 2
1 159 . 1 1 A 15 15 GLY H H 15 8.979 8.773 0.206 2
1 160 . 1 1 A 15 15 GLY HA2 H 15 4.161 3.929 0.232 2
1 161 . 1 1 A 15 15 GLY HA3 H 15 3.765 3.930 -0.165 2
1 162 . 1 1 A 15 15 GLY C C 15 173.903 173.543 0.360 2
1 163 . 1 1 A 15 15 GLY CA C 15 45.603 45.498 0.105 2
1 164 . 1 1 A 15 15 GLY N N 15 113.508 114.455 -0.947 2
1 165 . 1 1 A 16 16 GLU H H 16 8.027 7.750 0.277 2
1 166 . 1 1 A 16 16 GLU HA H 16 4.555 4.871 -0.316 2
1 171 . 1 1 A 16 16 GLU C C 16 174.310 175.169 -0.859 2
1 172 . 1 1 A 16 16 GLU CA C 16 55.213 54.436 0.777 2
1 173 . 1 1 A 16 16 GLU CB C 16 31.839 33.290 -1.451 2
1 175 . 1 1 A 16 16 GLU N N 16 120.692 119.568 1.124 2
1 176 . 1 1 A 17 17 MET H H 17 8.943 8.786 0.157 2
1 177 . 1 1 A 17 17 MET HA H 17 4.584 5.013 -0.429 2
1 185 . 1 1 A 17 17 MET C C 17 173.801 175.342 -1.541 2
1 186 . 1 1 A 17 17 MET CA C 17 55.183 54.294 0.889 2
1 187 . 1 1 A 17 17 MET CB C 17 34.221 33.338 0.883 2
1 190 . 1 1 A 17 17 MET N N 17 120.713 120.316 0.397 2
1 191 . 1 1 A 18 18 LYS H H 18 8.789 8.611 0.178 2
1 192 . 1 1 A 18 18 LYS HA H 18 5.083 4.656 0.427 2
1 201 . 1 1 A 18 18 LYS C C 18 175.138 174.611 0.527 2
1 202 . 1 1 A 18 18 LYS CA C 18 55.726 55.238 0.488 2
1 203 . 1 1 A 18 18 LYS CB C 18 35.053 33.515 1.538 2
1 207 . 1 1 A 18 18 LYS N N 18 127.261 123.279 3.982 2
1 208 . 1 1 A 19 19 CYS H H 19 9.132 9.181 -0.049 2
1 209 . 1 1 A 19 19 CYS HA H 19 5.273 5.400 -0.127 2
1 212 . 1 1 A 19 19 CYS C C 19 174.193 173.096 1.097 2
1 213 . 1 1 A 19 19 CYS CA C 19 54.753 54.542 0.211 2
1 214 . 1 1 A 19 19 CYS CB C 19 43.915 43.744 0.171 2
1 215 . 1 1 A 19 19 CYS N N 19 126.193 125.023 1.170 2
1 216 . 1 1 A 20 20 ILE H H 20 10.001 8.934 1.067 2
1 217 . 1 1 A 20 20 ILE HA H 20 5.483 5.756 -0.273 2
1 227 . 1 1 A 20 20 ILE C C 20 176.355 174.773 1.582 2
1 228 . 1 1 A 20 20 ILE CA C 20 59.977 59.011 0.966 2
1 229 . 1 1 A 20 20 ILE CB C 20 42.458 42.283 0.175 2
1 233 . 1 1 A 20 20 ILE N N 20 119.415 119.954 -0.539 2
1 234 . 1 1 A 21 21 ASN H H 21 8.092 8.179 -0.087 2
1 235 . 1 1 A 21 21 ASN HA H 21 4.906 5.062 -0.156 2
1 240 . 1 1 A 21 21 ASN CA C 21 50.729 51.023 -0.294 2
1 241 . 1 1 A 21 21 ASN CB C 21 38.492 40.727 -2.235 2
1 245 . 1 1 A 22 22 HIS C C 22 174.724 176.936 -2.212 2
1 250 . 1 1 A 23 23 TYR H H 23 7.932 7.895 0.037 2
1 251 . 1 1 A 23 23 TYR HA H 23 4.785 4.417 0.368 2
1 258 . 1 1 A 23 23 TYR C C 23 176.186 175.863 0.323 2
1 259 . 1 1 A 23 23 TYR CA C 23 56.891 59.460 -2.569 2
1 260 . 1 1 A 23 23 TYR CB C 23 38.509 38.837 -0.328 2
1 265 . 1 1 A 23 23 TYR N N 23 117.160 118.633 -1.473 2
1 266 . 1 1 A 24 24 GLY HA2 H 24 4.411 4.032 0.379 2
1 267 . 1 1 A 24 24 GLY HA3 H 24 3.674 4.074 -0.400 2
1 268 . 1 1 A 24 24 GLY C C 24 174.895 174.967 -0.072 2
1 269 . 1 1 A 24 24 GLY CA C 24 45.377 45.065 0.312 2
1 270 . 1 1 A 25 25 GLY H H 25 8.418 8.300 0.118 2
1 271 . 1 1 A 25 25 GLY HA2 H 25 4.461 4.085 0.376 2
1 272 . 1 1 A 25 25 GLY HA3 H 25 3.737 4.169 -0.432 2
1 273 . 1 1 A 25 25 GLY C C 25 172.832 171.947 0.885 2
1 274 . 1 1 A 25 25 GLY CA C 25 44.602 45.826 -1.224 2
1 275 . 1 1 A 25 25 GLY N N 25 110.337 108.656 1.681 2
1 276 . 1 1 A 26 26 TYR H H 26 8.256 8.941 -0.685 2
1 277 . 1 1 A 26 26 TYR HA H 26 6.053 5.340 0.712 2
1 284 . 1 1 A 26 26 TYR C C 26 173.625 174.081 -0.456 2
1 285 . 1 1 A 26 26 TYR CA C 26 55.921 56.400 -0.479 2
1 286 . 1 1 A 26 26 TYR CB C 26 42.690 41.694 0.996 2
1 291 . 1 1 A 26 26 TYR N N 26 116.601 124.523 -7.922 2
1 292 . 1 1 A 27 27 LEU H H 27 9.227 8.738 0.489 2
1 293 . 1 1 A 27 27 LEU HA H 27 4.437 4.674 -0.237 2
1 303 . 1 1 A 27 27 LEU C C 27 175.019 175.287 -0.268 2
1 304 . 1 1 A 27 27 LEU CA C 27 53.999 53.119 0.880 2
1 305 . 1 1 A 27 27 LEU CB C 27 46.334 45.483 0.851 2
1 309 . 1 1 A 27 27 LEU N N 27 121.005 127.164 -6.159 2
1 310 . 1 1 A 28 28 CYS H H 28 8.801 8.708 0.093 2
1 311 . 1 1 A 28 28 CYS HA H 28 5.730 5.575 0.155 2
1 314 . 1 1 A 28 28 CYS C C 28 174.452 172.588 1.864 2
1 315 . 1 1 A 28 28 CYS CA C 28 51.978 54.487 -2.509 2
1 316 . 1 1 A 28 28 CYS CB C 28 37.734 44.346 -6.612 2
1 317 . 1 1 A 28 28 CYS N N 28 120.613 120.567 0.047 2
1 318 . 1 1 A 29 29 LEU H H 29 9.371 8.921 0.450 2
1 319 . 1 1 A 29 29 LEU HA H 29 4.891 4.712 0.179 2
1 329 . 1 1 A 29 29 LEU C C 29 173.339 174.439 -1.100 2
1 330 . 1 1 A 29 29 LEU CA C 29 51.743 51.816 -0.073 2
1 331 . 1 1 A 29 29 LEU CB C 29 44.633 43.267 1.366 2
1 335 . 1 1 A 29 29 LEU N N 29 127.550 126.445 1.105 2
1 336 . 1 1 A 30 30 PRO HA H 30 4.478 4.548 -0.070 2
1 343 . 1 1 A 30 30 PRO C C 30 177.206 177.290 -0.084 2
1 344 . 1 1 A 30 30 PRO CA C 30 62.730 62.961 -0.231 2
1 345 . 1 1 A 30 30 PRO CB C 30 31.984 32.488 -0.504 2
1 348 . 1 1 A 31 31 ARG H H 31 8.856 8.912 -0.056 2
1 349 . 1 1 A 31 31 ARG HA H 31 4.189 4.196 -0.007 2
1 357 . 1 1 A 31 31 ARG C C 31 176.891 177.746 -0.855 2
1 358 . 1 1 A 31 31 ARG CA C 31 56.964 57.614 -0.650 2
1 359 . 1 1 A 31 31 ARG CB C 31 30.633 30.060 0.573 2
1 362 . 1 1 A 31 31 ARG N N 31 121.660 124.557 -2.897 2
1 364 . 1 1 A 32 32 SER H H 32 8.318 7.903 0.415 2
1 365 . 1 1 A 32 32 SER HA H 32 4.389 4.281 0.108 2
1 368 . 1 1 A 32 32 SER C C 32 174.251 174.641 -0.390 2
1 369 . 1 1 A 32 32 SER CA C 32 58.238 60.878 -2.640 2
1 370 . 1 1 A 32 32 SER CB C 32 63.821 63.010 0.811 2
1 371 . 1 1 A 32 32 SER N N 32 116.432 114.024 2.408 2
1 372 . 1 1 A 33 33 ALA H H 33 8.353 7.397 0.956 2
1 373 . 1 1 A 33 33 ALA HA H 33 4.307 4.463 -0.155 2
1 377 . 1 1 A 33 33 ALA C C 33 177.290 176.738 0.552 2
1 378 . 1 1 A 33 33 ALA CA C 33 52.515 51.384 1.131 2
1 379 . 1 1 A 33 33 ALA CB C 33 19.358 20.616 -1.258 2
1 380 . 1 1 A 33 33 ALA N N 33 126.203 122.861 3.342 2
1 381 . 1 1 A 34 34 ALA H H 34 8.178 8.723 -0.545 2
1 382 . 1 1 A 34 34 ALA HA H 34 4.280 4.770 -0.490 2
1 386 . 1 1 A 34 34 ALA C C 34 177.519 178.079 -0.560 2
1 387 . 1 1 A 34 34 ALA CA C 34 52.480 50.902 1.578 2
1 388 . 1 1 A 34 34 ALA CB C 34 19.250 20.719 -1.469 2
1 389 . 1 1 A 34 34 ALA N N 34 123.091 123.461 -0.370 2
1 390 . 1 1 A 35 35 VAL H H 35 8.083 8.620 -0.537 2
1 391 . 1 1 A 35 35 VAL HA H 35 4.060 4.288 -0.228 2
1 399 . 1 1 A 35 35 VAL C C 35 176.050 176.071 -0.021 2
1 400 . 1 1 A 35 35 VAL CA C 35 62.297 62.081 0.216 2
1 401 . 1 1 A 35 35 VAL CB C 35 32.695 31.664 1.031 2
1 404 . 1 1 A 35 35 VAL N N 35 120.060 118.952 1.108 2
1 405 . 1 1 A 36 36 ILE H H 36 8.264 7.694 0.570 2
1 406 . 1 1 A 36 36 ILE HA H 36 4.141 4.385 -0.244 2
1 416 . 1 1 A 36 36 ILE C C 36 175.848 175.652 0.196 2
1 417 . 1 1 A 36 36 ILE CA C 36 60.924 60.102 0.822 2
1 418 . 1 1 A 36 36 ILE CB C 36 38.614 39.467 -0.853 2
1 422 . 1 1 A 36 36 ILE N N 36 125.147 120.585 4.562 2
1 423 . 1 1 A 37 37 ASN H H 37 8.501 8.438 0.063 2
1 424 . 1 1 A 37 37 ASN HA H 37 4.702 4.797 -0.095 2
1 429 . 1 1 A 37 37 ASN C C 37 174.609 174.354 0.255 2
1 430 . 1 1 A 37 37 ASN CA C 37 53.143 52.958 0.185 2
1 431 . 1 1 A 37 37 ASN CB C 37 38.957 38.868 0.089 2
1 432 . 1 1 A 37 37 ASN N N 37 123.292 120.083 3.209 2
1 434 . 1 1 A 38 38 ASP H H 38 8.326 8.376 -0.050 2
1 435 . 1 1 A 38 38 ASP HA H 38 4.562 4.788 -0.226 2
1 438 . 1 1 A 38 38 ASP C C 38 176.188 175.516 0.672 2
1 439 . 1 1 A 38 38 ASP CA C 38 54.218 54.082 0.136 2
1 440 . 1 1 A 38 38 ASP CB C 38 41.133 41.700 -0.567 2
1 441 . 1 1 A 38 38 ASP N N 38 121.317 122.296 -0.979 2
1 442 . 1 1 A 39 39 LEU H H 39 8.188 8.387 -0.199 2
1 443 . 1 1 A 39 39 LEU HA H 39 4.242 4.719 -0.477 2
1 453 . 1 1 A 39 39 LEU C C 39 177.515 176.266 1.249 2
1 454 . 1 1 A 39 39 LEU CA C 39 55.501 54.242 1.259 2
1 455 . 1 1 A 39 39 LEU CB C 39 42.030 43.109 -1.079 2
1 459 . 1 1 A 39 39 LEU N N 39 122.367 122.525 -0.158 2
1 460 . 1 1 A 40 40 HIS H H 40 8.418 8.424 -0.006 2
1 461 . 1 1 A 40 40 HIS HA H 40 4.636 4.695 -0.059 2
1 466 . 1 1 A 40 40 HIS C C 40 175.495 175.014 0.481 2
1 467 . 1 1 A 40 40 HIS CA C 40 55.920 56.120 -0.200 2
1 468 . 1 1 A 40 40 HIS CB C 40 29.633 30.835 -1.202 2
1 471 . 1 1 A 40 40 HIS N N 40 118.989 119.238 -0.249 2
1 474 . 1 1 A 41 41 GLY H H 41 8.258 8.355 -0.097 2
1 475 . 1 1 A 41 41 GLY HA2 H 41 3.969 3.913 0.056 2
1 476 . 1 1 A 41 41 GLY HA3 H 41 3.952 3.942 0.010 2
1 477 . 1 1 A 41 41 GLY C C 41 174.007 173.506 0.501 2
1 478 . 1 1 A 41 41 GLY CA C 41 45.363 45.790 -0.427 2
1 479 . 1 1 A 41 41 GLY N N 41 109.714 108.686 1.028 2
1 480 . 1 1 A 42 42 GLU H H 42 8.406 8.401 0.005 2
1 481 . 1 1 A 42 42 GLU HA H 42 4.378 4.504 -0.126 2
1 486 . 1 1 A 42 42 GLU C C 42 176.668 176.532 0.136 2
1 487 . 1 1 A 42 42 GLU CA C 42 56.278 56.166 0.112 2
1 488 . 1 1 A 42 42 GLU CB C 42 30.473 30.973 -0.499 2
1 490 . 1 1 A 42 42 GLU N N 42 120.561 121.479 -0.918 2
1 491 . 1 1 A 43 43 GLY H H 43 8.284 8.266 0.018 2
1 492 . 1 1 A 43 43 GLY HA2 H 43 4.100 3.993 0.107 2
1 493 . 1 1 A 43 43 GLY HA3 H 43 4.099 4.001 0.098 2
1 494 . 1 1 A 43 43 GLY C C 43 171.027 173.651 -2.624 2
1 495 . 1 1 A 43 43 GLY CA C 43 44.399 45.384 -0.985 2
1 496 . 1 1 A 43 43 GLY N N 43 110.014 110.793 -0.779 2
1 498 . 1 1 A 47 47 PRO C C 47 176.172 176.009 0.163 2
1 499 . 1 1 A 47 47 PRO CB C 47 32.134 31.184 0.950 2
1 500 . 1 1 A 48 48 VAL H H 48 8.585 7.990 0.595 2
1 501 . 1 1 A 48 48 VAL HA H 48 4.438 4.621 -0.183 2
1 508 . 1 1 A 48 48 VAL C C 48 174.309 174.128 0.181 2
1 509 . 1 1 A 48 48 VAL CA C 48 59.190 58.972 0.218 2
1 512 . 1 1 A 48 48 VAL N N 48 125.965 117.299 8.666 2
1 513 . 1 1 A 50 50 PRO HA H 50 4.353 4.379 -0.026 2
1 520 . 1 1 A 50 50 PRO C C 50 176.824 176.683 0.141 2
1 521 . 1 1 A 50 50 PRO CA C 50 63.194 64.702 -1.508 2
1 522 . 1 1 A 50 50 PRO CB C 50 32.006 31.972 0.034 2
1 525 . 1 1 A 51 51 ALA H H 51 8.301 7.742 0.559 2
1 526 . 1 1 A 51 51 ALA HA H 51 4.241 4.447 -0.206 2
1 530 . 1 1 A 51 51 ALA C C 51 177.617 176.832 0.785 2
1 531 . 1 1 A 51 51 ALA CA C 51 52.717 51.977 0.740 2
1 532 . 1 1 A 51 51 ALA CB C 51 19.211 19.893 -0.682 2
1 533 . 1 1 A 51 51 ALA N N 51 122.996 118.572 4.424 2
1 534 . 1 1 A 52 52 GLN H H 52 8.165 8.221 -0.056 2
1 535 . 1 1 A 52 52 GLN HA H 52 4.266 4.445 -0.179 2
1 542 . 1 1 A 52 52 GLN C C 52 175.394 174.857 0.537 2
1 543 . 1 1 A 52 52 GLN CA C 52 55.582 55.955 -0.373 2
1 544 . 1 1 A 52 52 GLN CB C 52 29.636 29.670 -0.034 2
1 546 . 1 1 A 52 52 GLN N N 52 118.178 119.846 -1.668 2
1 548 . 1 1 A 53 53 HIS H H 53 8.395 8.255 0.140 2
1 549 . 1 1 A 53 53 HIS HA H 53 4.872 4.913 -0.041 2
1 554 . 1 1 A 53 53 HIS C C 53 173.260 175.014 -1.754 2
1 555 . 1 1 A 53 53 HIS CA C 53 54.036 53.950 0.086 2
1 556 . 1 1 A 53 53 HIS CB C 53 29.841 31.752 -1.911 2
1 559 . 1 1 A 53 53 HIS N N 53 121.522 119.646 1.876 2
1 562 . 1 1 A 54 54 PRO HA H 54 4.547 4.309 0.238 2
1 569 . 1 1 A 54 54 PRO C C 54 176.605 176.861 -0.256 2
1 570 . 1 1 A 54 54 PRO CA C 54 62.997 64.867 -1.870 2
1 571 . 1 1 A 54 54 PRO CB C 54 32.349 31.868 0.481 2
1 574 . 1 1 A 55 55 ASN H H 55 8.646 8.152 0.494 2
1 575 . 1 1 A 55 55 ASN HA H 55 4.969 4.418 0.551 2
1 580 . 1 1 A 55 55 ASN C C 55 171.312 175.923 -4.611 2
1 581 . 1 1 A 55 55 ASN CA C 55 50.412 53.612 -3.200 2
1 582 . 1 1 A 55 55 ASN CB C 55 39.150 36.949 2.201 2
1 583 . 1 1 A 55 55 ASN N N 55 119.583 114.092 5.491 2
1 585 . 1 1 A 56 56 PRO HA H 56 4.400 4.442 -0.042 2
1 592 . 1 1 A 56 56 PRO C C 56 176.686 176.386 0.300 2
1 593 . 1 1 A 56 56 PRO CA C 56 63.273 64.286 -1.013 2
1 594 . 1 1 A 56 56 PRO CB C 56 31.783 31.470 0.313 2
1 597 . 1 1 A 57 57 CYS H H 57 7.831 8.032 -0.201 2
1 598 . 1 1 A 57 57 CYS HA H 57 4.443 4.683 -0.240 2
1 601 . 1 1 A 57 57 CYS C C 57 173.881 172.213 1.668 2
1 602 . 1 1 A 57 57 CYS CA C 57 59.103 55.576 3.527 2
1 603 . 1 1 A 57 57 CYS CB C 57 32.909 42.580 -9.671 2
1 604 . 1 1 A 57 57 CYS N N 57 119.502 117.912 1.590 2
1 605 . 1 1 A 59 59 PRO HA H 59 4.385 4.285 0.100 2
1 612 . 1 1 A 59 59 PRO C C 59 177.996 177.304 0.692 2
1 613 . 1 1 A 59 59 PRO CA C 59 64.249 63.973 0.276 2
1 614 . 1 1 A 59 59 PRO CB C 59 31.776 31.473 0.303 2
1 617 . 1 1 A 60 60 GLY H H 60 8.761 8.866 -0.105 2
1 618 . 1 1 A 60 60 GLY HA2 H 60 4.302 3.806 0.496 2
1 619 . 1 1 A 60 60 GLY HA3 H 60 3.619 3.854 -0.235 2
1 620 . 1 1 A 60 60 GLY C C 60 173.861 173.279 0.582 2
1 621 . 1 1 A 60 60 GLY CA C 60 44.888 45.131 -0.243 2
1 622 . 1 1 A 60 60 GLY N N 60 112.485 112.684 -0.199 2
1 623 . 1 1 A 61 61 TYR H H 61 8.522 7.989 0.533 2
1 624 . 1 1 A 61 61 TYR HA H 61 5.083 4.950 0.133 2
1 631 . 1 1 A 61 61 TYR C C 61 174.910 175.218 -0.308 2
1 632 . 1 1 A 61 61 TYR CA C 61 56.152 57.105 -0.953 2
1 633 . 1 1 A 61 61 TYR CB C 61 42.124 41.619 0.505 2
1 638 . 1 1 A 61 61 TYR N N 61 118.801 119.459 -0.658 2
1 639 . 1 1 A 62 62 GLU H H 62 9.129 9.280 -0.151 2
1 640 . 1 1 A 62 62 GLU HA H 62 4.962 4.994 -0.032 2
1 645 . 1 1 A 62 62 GLU C C 62 173.115 174.051 -0.936 2
1 646 . 1 1 A 62 62 GLU CA C 62 53.654 53.897 -0.243 2
1 647 . 1 1 A 62 62 GLU CB C 62 31.928 32.343 -0.415 2
1 649 . 1 1 A 62 62 GLU N N 62 118.016 120.818 -2.802 2
1 650 . 1 1 A 63 63 PRO HA H 63 4.743 4.679 0.064 2
1 657 . 1 1 A 63 63 PRO C C 63 177.040 175.668 1.372 2
1 658 . 1 1 A 63 63 PRO CA C 63 63.759 62.661 1.098 2
1 659 . 1 1 A 63 63 PRO CB C 63 32.352 32.000 0.352 2
1 662 . 1 1 A 64 64 ASP H H 64 8.595 8.627 -0.032 2
1 663 . 1 1 A 64 64 ASP HA H 64 4.679 4.912 -0.233 2
1 666 . 1 1 A 64 64 ASP C C 64 175.960 174.713 1.247 2
1 667 . 1 1 A 64 64 ASP CA C 64 53.790 53.185 0.605 2
1 668 . 1 1 A 64 64 ASP CB C 64 42.611 42.576 0.035 2
1 669 . 1 1 A 64 64 ASP N N 64 122.807 122.212 0.595 2
1 670 . 1 1 A 65 65 ASP H H 65 8.437 8.747 -0.310 2
1 671 . 1 1 A 65 65 ASP HA H 65 4.701 4.965 -0.264 2
1 674 . 1 1 A 65 65 ASP C C 65 176.412 175.396 1.016 2
1 675 . 1 1 A 65 65 ASP CA C 65 54.043 53.922 0.121 2
1 676 . 1 1 A 65 65 ASP CB C 65 41.279 41.476 -0.197 2
1 677 . 1 1 A 65 65 ASP N N 65 124.473 126.023 -1.550 2
1 678 . 1 1 A 66 66 GLN H H 66 8.316 8.539 -0.223 2
1 679 . 1 1 A 66 66 GLN HA H 66 4.290 4.923 -0.633 2
1 686 . 1 1 A 66 66 GLN C C 66 175.877 174.807 1.070 2
1 687 . 1 1 A 66 66 GLN CA C 66 55.992 54.769 1.223 2
1 688 . 1 1 A 66 66 GLN CB C 66 29.565 30.252 -0.687 2
1 690 . 1 1 A 66 66 GLN N N 66 120.317 123.860 -3.543 2
1 692 . 1 1 A 67 67 ASP H H 67 8.438 8.831 -0.393 2
1 693 . 1 1 A 67 67 ASP HA H 67 4.619 4.764 -0.145 2
1 696 . 1 1 A 67 67 ASP C C 67 176.300 175.830 0.470 2
1 697 . 1 1 A 67 67 ASP CA C 67 54.535 54.593 -0.058 2
1 698 . 1 1 A 67 67 ASP CB C 67 41.210 40.858 0.352 2
1 699 . 1 1 A 67 67 ASP N N 67 121.942 124.407 -2.465 2
1 700 . 1 1 A 68 68 SER H H 68 8.274 8.353 -0.079 2
1 701 . 1 1 A 68 68 SER HA H 68 4.476 4.499 -0.023 2
1 704 . 1 1 A 68 68 SER C C 68 174.516 174.392 0.124 2
1 705 . 1 1 A 68 68 SER CA C 68 58.615 58.583 0.032 2
1 706 . 1 1 A 68 68 SER CB C 68 63.911 62.781 1.130 2
1 707 . 1 1 A 68 68 SER N N 68 116.099 115.818 0.281 2
1 708 . 1 1 A 69 69 CYS H H 69 8.589 8.364 0.225 2
1 709 . 1 1 A 69 69 CYS HA H 69 4.719 4.648 0.071 2
1 712 . 1 1 A 69 69 CYS C C 69 174.437 173.377 1.060 2
1 713 . 1 1 A 69 69 CYS CA C 69 55.620 57.038 -1.418 2
1 714 . 1 1 A 69 69 CYS CB C 69 40.727 43.395 -2.668 2
1 715 . 1 1 A 69 69 CYS N N 69 120.951 121.023 -0.072 2
1 716 . 1 1 A 70 70 VAL H H 70 8.150 7.878 0.272 2
1 717 . 1 1 A 70 70 VAL HA H 70 4.193 4.436 -0.243 2
1 725 . 1 1 A 70 70 VAL C C 70 174.771 174.417 0.354 2
1 726 . 1 1 A 70 70 VAL CA C 70 62.021 60.795 1.226 2
1 727 . 1 1 A 70 70 VAL CB C 70 33.168 33.570 -0.402 2
1 730 . 1 1 A 70 70 VAL N N 70 120.979 119.781 1.198 2
stop_
save_