data_10249_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10249
_Entry.PDB_ID 1X05
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 6 6 SER HA H 6 4.475 4.201 0.274 1
1 4 . 1 1 1 A 6 6 SER C C 6 174.978 174.455 0.523 1
1 5 . 1 1 1 A 6 6 SER CA C 6 58.657 58.918 -0.261 1
1 6 . 1 1 1 A 6 6 SER CB C 6 63.682 60.847 2.835 1
1 7 . 1 1 1 A 7 7 GLY H H 7 8.385 8.321 0.064 1
1 8 . 1 1 1 A 7 7 GLY HA2 H 7 3.947 4.039 -0.092 1
1 9 . 1 1 1 A 7 7 GLY HA3 H 7 3.947 4.041 -0.094 1
1 10 . 1 1 1 A 7 7 GLY C C 7 173.900 173.803 0.097 1
1 11 . 1 1 1 A 7 7 GLY CA C 7 45.280 46.115 -0.835 1
1 12 . 1 1 1 A 7 7 GLY N N 7 110.753 108.997 1.756 1
1 13 . 1 1 1 A 8 8 VAL H H 8 7.896 7.926 -0.030 1
1 14 . 1 1 1 A 8 8 VAL HA H 8 4.046 4.863 -0.817 1
1 22 . 1 1 1 A 8 8 VAL C C 8 175.948 174.495 1.453 1
1 23 . 1 1 1 A 8 8 VAL CA C 8 62.399 59.499 2.900 1
1 24 . 1 1 1 A 8 8 VAL CB C 8 32.904 35.476 -2.572 1
1 27 . 1 1 1 A 8 8 VAL N N 8 119.771 119.201 0.570 1
1 28 . 1 1 1 A 9 9 ILE H H 9 8.253 8.504 -0.251 1
1 29 . 1 1 1 A 9 9 ILE HA H 9 4.103 4.063 0.040 1
1 39 . 1 1 1 A 9 9 ILE C C 9 175.984 175.951 0.033 1
1 40 . 1 1 1 A 9 9 ILE CA C 9 60.657 62.189 -1.532 1
1 41 . 1 1 1 A 9 9 ILE CB C 9 38.349 38.108 0.241 1
1 45 . 1 1 1 A 9 9 ILE N N 9 125.791 124.844 0.947 1
1 46 . 1 1 1 A 10 10 LEU H H 10 8.374 8.416 -0.042 1
1 47 . 1 1 1 A 10 10 LEU HA H 10 4.379 4.976 -0.597 1
1 57 . 1 1 1 A 10 10 LEU C C 10 177.171 176.788 0.383 1
1 58 . 1 1 1 A 10 10 LEU CA C 10 54.598 53.759 0.839 1
1 59 . 1 1 1 A 10 10 LEU CB C 10 42.873 43.936 -1.063 1
1 63 . 1 1 1 A 10 10 LEU N N 10 127.929 127.188 0.741 1
1 64 . 1 1 1 A 11 11 LYS H H 11 8.414 8.660 -0.246 1
1 65 . 1 1 1 A 11 11 LYS HA H 11 4.214 4.372 -0.158 1
1 74 . 1 1 1 A 11 11 LYS C C 11 177.244 176.750 0.494 1
1 75 . 1 1 1 A 11 11 LYS CA C 11 57.051 56.068 0.983 1
1 76 . 1 1 1 A 11 11 LYS CB C 11 33.332 33.278 0.054 1
1 80 . 1 1 1 A 11 11 LYS N N 11 123.211 127.040 -3.829 1
1 81 . 1 1 1 A 12 12 GLU H H 12 8.629 8.644 -0.015 1
1 82 . 1 1 1 A 12 12 GLU HA H 12 3.745 4.563 -0.818 1
1 87 . 1 1 1 A 12 12 GLU C C 12 177.366 178.641 -1.275 1
1 88 . 1 1 1 A 12 12 GLU CA C 12 59.663 57.269 2.394 1
1 89 . 1 1 1 A 12 12 GLU CB C 12 29.672 30.958 -1.286 1
1 91 . 1 1 1 A 12 12 GLU N N 12 122.998 120.939 2.059 1
1 92 . 1 1 1 A 13 13 GLU H H 13 8.043 8.242 -0.199 1
1 93 . 1 1 1 A 13 13 GLU HA H 13 3.333 4.084 -0.751 1
1 98 . 1 1 1 A 13 13 GLU C C 13 175.451 176.889 -1.438 1
1 99 . 1 1 1 A 13 13 GLU CA C 13 57.634 58.179 -0.545 1
1 100 . 1 1 1 A 13 13 GLU CB C 13 28.567 27.878 0.689 1
1 102 . 1 1 1 A 13 13 GLU N N 13 113.498 119.172 -5.674 1
1 103 . 1 1 1 A 14 14 PHE H H 14 7.483 7.890 -0.407 1
1 104 . 1 1 1 A 14 14 PHE HA H 14 4.650 4.755 -0.105 1
1 112 . 1 1 1 A 14 14 PHE C C 14 175.657 176.340 -0.683 1
1 113 . 1 1 1 A 14 14 PHE CA C 14 56.187 57.130 -0.943 1
1 114 . 1 1 1 A 14 14 PHE CB C 14 39.665 38.652 1.013 1
1 120 . 1 1 1 A 14 14 PHE N N 14 115.879 118.324 -2.445 1
1 121 . 1 1 1 A 15 15 ARG H H 15 7.757 7.942 -0.185 1
1 122 . 1 1 1 A 15 15 ARG HA H 15 4.154 4.546 -0.392 1
1 129 . 1 1 1 A 15 15 ARG C C 15 177.353 175.572 1.781 1
1 130 . 1 1 1 A 15 15 ARG CA C 15 58.092 55.874 2.218 1
1 131 . 1 1 1 A 15 15 ARG CB C 15 31.193 28.480 2.713 1
1 134 . 1 1 1 A 15 15 ARG N N 15 118.945 119.744 -0.799 1
1 135 . 1 1 1 A 16 16 GLY H H 16 8.812 8.103 0.709 1
1 136 . 1 1 1 A 16 16 GLY HA2 H 16 4.194 4.250 -0.056 1
1 137 . 1 1 1 A 16 16 GLY HA3 H 16 3.824 4.280 -0.456 1
1 138 . 1 1 1 A 16 16 GLY C C 16 173.427 171.977 1.450 1
1 139 . 1 1 1 A 16 16 GLY CA C 16 45.157 45.850 -0.693 1
1 140 . 1 1 1 A 16 16 GLY N N 16 109.133 108.249 0.884 1
1 141 . 1 1 1 A 17 17 VAL H H 17 8.308 7.990 0.318 1
1 142 . 1 1 1 A 17 17 VAL HA H 17 4.060 5.001 -0.941 1
1 150 . 1 1 1 A 17 17 VAL C C 17 176.469 174.283 2.186 1
1 151 . 1 1 1 A 17 17 VAL CA C 17 62.098 59.386 2.712 1
1 152 . 1 1 1 A 17 17 VAL CB C 17 33.414 35.690 -2.276 1
1 155 . 1 1 1 A 17 17 VAL N N 17 120.815 118.732 2.083 1
1 156 . 1 1 1 A 18 18 ILE H H 18 8.547 8.964 -0.417 1
1 157 . 1 1 1 A 18 18 ILE HA H 18 4.186 4.476 -0.290 1
1 167 . 1 1 1 A 18 18 ILE C C 18 177.208 176.700 0.508 1
1 168 . 1 1 1 A 18 18 ILE CA C 18 63.175 61.223 1.952 1
1 169 . 1 1 1 A 18 18 ILE CB C 18 38.596 38.916 -0.320 1
1 173 . 1 1 1 A 18 18 ILE N N 18 125.006 124.508 0.498 1
1 174 . 1 1 1 A 19 19 ILE H H 19 9.127 8.661 0.466 1
1 175 . 1 1 1 A 19 19 ILE HA H 19 4.461 4.503 -0.042 1
1 185 . 1 1 1 A 19 19 ILE C C 19 176.081 175.967 0.114 1
1 186 . 1 1 1 A 19 19 ILE CA C 19 60.298 61.184 -0.886 1
1 187 . 1 1 1 A 19 19 ILE CB C 19 39.665 39.552 0.113 1
1 191 . 1 1 1 A 19 19 ILE N N 19 124.358 120.663 3.695 1
1 192 . 1 1 1 A 20 20 LYS H H 20 7.620 7.677 -0.057 1
1 193 . 1 1 1 A 20 20 LYS HA H 20 4.325 4.657 -0.332 1
1 202 . 1 1 1 A 20 20 LYS C C 20 172.760 174.184 -1.424 1
1 203 . 1 1 1 A 20 20 LYS CA C 20 57.298 55.682 1.616 1
1 204 . 1 1 1 A 20 20 LYS CB C 20 36.458 35.951 0.507 1
1 208 . 1 1 1 A 20 20 LYS N N 20 121.749 121.304 0.445 1
1 209 . 1 1 1 A 21 21 GLN H H 21 8.572 8.521 0.051 1
1 210 . 1 1 1 A 21 21 GLN HA H 21 5.927 5.392 0.535 1
1 217 . 1 1 1 A 21 21 GLN C C 21 175.124 175.145 -0.021 1
1 218 . 1 1 1 A 21 21 GLN CA C 21 54.227 54.527 -0.300 1
1 219 . 1 1 1 A 21 21 GLN CB C 21 33.369 33.212 0.157 1
1 221 . 1 1 1 A 21 21 GLN N N 21 121.653 124.292 -2.639 1
1 223 . 1 1 1 A 22 22 GLY H H 22 9.178 8.289 0.889 1
1 224 . 1 1 1 A 22 22 GLY HA2 H 22 4.904 4.285 0.619 1
1 225 . 1 1 1 A 22 22 GLY HA3 H 22 4.447 4.388 0.059 1
1 226 . 1 1 1 A 22 22 GLY C C 22 172.300 171.801 0.499 1
1 227 . 1 1 1 A 22 22 GLY CA C 22 45.650 46.221 -0.571 1
1 228 . 1 1 1 A 22 22 GLY N N 22 108.544 108.896 -0.352 1
1 229 . 1 1 1 A 23 23 CYS H H 23 9.262 8.379 0.883 1
1 230 . 1 1 1 A 23 23 CYS HA H 23 5.904 5.796 0.108 1
1 233 . 1 1 1 A 23 23 CYS C C 23 175.293 174.075 1.218 1
1 234 . 1 1 1 A 23 23 CYS CA C 23 59.222 57.287 1.935 1
1 235 . 1 1 1 A 23 23 CYS CB C 23 29.260 29.164 0.096 1
1 236 . 1 1 1 A 23 23 CYS N N 23 118.575 119.603 -1.028 1
1 237 . 1 1 1 A 24 24 LEU H H 24 9.131 10.217 -1.086 1
1 238 . 1 1 1 A 24 24 LEU HA H 24 4.627 5.084 -0.457 1
1 248 . 1 1 1 A 24 24 LEU C C 24 175.354 175.477 -0.123 1
1 249 . 1 1 1 A 24 24 LEU CA C 24 53.963 53.652 0.311 1
1 250 . 1 1 1 A 24 24 LEU CB C 24 47.315 45.554 1.761 1
1 254 . 1 1 1 A 24 24 LEU N N 24 122.880 124.482 -1.602 1
1 255 . 1 1 1 A 25 25 LEU H H 25 7.968 8.955 -0.987 1
1 256 . 1 1 1 A 25 25 LEU HA H 25 5.056 5.035 0.021 1
1 266 . 1 1 1 A 25 25 LEU C C 25 175.766 175.181 0.585 1
1 267 . 1 1 1 A 25 25 LEU CA C 25 54.810 54.283 0.527 1
1 268 . 1 1 1 A 25 25 LEU CB C 25 44.065 42.238 1.827 1
1 272 . 1 1 1 A 25 25 LEU N N 25 119.755 123.045 -3.290 1
1 273 . 1 1 1 A 26 26 LYS H H 26 9.307 8.899 0.408 1
1 274 . 1 1 1 A 26 26 LYS HA H 26 5.166 4.539 0.627 1
1 283 . 1 1 1 A 26 26 LYS C C 26 175.778 176.306 -0.528 1
1 284 . 1 1 1 A 26 26 LYS CA C 26 54.687 55.710 -1.023 1
1 285 . 1 1 1 A 26 26 LYS CB C 26 37.033 33.694 3.339 1
1 289 . 1 1 1 A 26 26 LYS N N 26 122.635 126.425 -3.790 1
1 290 . 1 1 1 A 27 27 GLN H H 27 8.228 7.997 0.231 1
1 291 . 1 1 1 A 27 27 GLN HA H 27 3.839 4.050 -0.211 1
1 298 . 1 1 1 A 27 27 GLN C C 27 176.869 175.547 1.322 1
1 299 . 1 1 1 A 27 27 GLN CA C 27 55.922 54.931 0.991 1
1 300 . 1 1 1 A 27 27 GLN CB C 27 29.589 30.135 -0.546 1
1 302 . 1 1 1 A 27 27 GLN N N 27 132.145 125.462 6.683 1
1 304 . 1 1 1 A 28 28 GLY H H 28 8.434 8.227 0.207 1
1 305 . 1 1 1 A 28 28 GLY HA2 H 28 4.144 4.389 -0.245 1
1 306 . 1 1 1 A 28 28 GLY HA3 H 28 3.999 4.426 -0.427 1
1 307 . 1 1 1 A 28 28 GLY CA C 28 45.457 44.316 1.141 1
1 308 . 1 1 1 A 28 28 GLY N N 28 114.691 107.598 7.093 1
1 309 . 1 1 1 A 29 29 HIS HA H 29 4.352 4.005 0.347 1
1 314 . 1 1 1 A 29 29 HIS CA C 29 58.505 59.422 -0.917 1
1 315 . 1 1 1 A 29 29 HIS CB C 29 30.967 29.939 1.028 1
1 318 . 1 1 1 A 30 30 ARG HA H 30 4.114 3.926 0.188 1
1 325 . 1 1 1 A 30 30 ARG CA C 30 56.429 59.206 -2.777 1
1 326 . 1 1 1 A 30 30 ARG CB C 30 29.591 29.769 -0.178 1
1 329 . 1 1 1 A 31 31 ARG HA H 31 3.774 3.815 -0.041 1
1 336 . 1 1 1 A 31 31 ARG C C 31 175.536 175.865 -0.329 1
1 337 . 1 1 1 A 31 31 ARG CA C 31 55.922 56.999 -1.077 1
1 338 . 1 1 1 A 31 31 ARG CB C 31 29.302 28.589 0.713 1
1 341 . 1 1 1 A 32 32 LYS H H 32 8.011 7.893 0.118 1
1 342 . 1 1 1 A 32 32 LYS HA H 32 4.164 4.606 -0.442 1
1 351 . 1 1 1 A 32 32 LYS C C 32 175.741 175.996 -0.255 1
1 352 . 1 1 1 A 32 32 LYS CA C 32 56.239 54.553 1.686 1
1 353 . 1 1 1 A 32 32 LYS CB C 32 32.016 33.281 -1.265 1
1 357 . 1 1 1 A 32 32 LYS N N 32 117.463 119.791 -2.328 1
1 358 . 1 1 1 A 33 33 ASN H H 33 7.870 8.663 -0.793 1
1 359 . 1 1 1 A 33 33 ASN HA H 33 4.807 4.808 -0.001 1
1 364 . 1 1 1 A 33 33 ASN C C 33 173.681 174.031 -0.350 1
1 365 . 1 1 1 A 33 33 ASN CA C 33 52.551 55.545 -2.994 1
1 366 . 1 1 1 A 33 33 ASN CB C 33 39.830 37.436 2.394 1
1 367 . 1 1 1 A 33 33 ASN N N 33 117.522 122.588 -5.066 1
1 369 . 1 1 1 A 34 34 TRP H H 34 8.704 8.961 -0.257 1
1 370 . 1 1 1 A 34 34 TRP HA H 34 4.807 5.081 -0.274 1
1 379 . 1 1 1 A 34 34 TRP C C 34 176.129 175.738 0.391 1
1 380 . 1 1 1 A 34 34 TRP CA C 34 56.540 56.634 -0.094 1
1 381 . 1 1 1 A 34 34 TRP CB C 34 31.399 32.038 -0.639 1
1 387 . 1 1 1 A 34 34 TRP N N 34 121.620 122.568 -0.948 1
1 389 . 1 1 1 A 35 35 LYS H H 35 8.457 8.879 -0.422 1
1 390 . 1 1 1 A 35 35 LYS HA H 35 4.876 4.924 -0.048 1
1 399 . 1 1 1 A 35 35 LYS C C 35 176.081 175.859 0.222 1
1 400 . 1 1 1 A 35 35 LYS CA C 35 54.298 55.192 -0.894 1
1 401 . 1 1 1 A 35 35 LYS CB C 35 36.498 35.626 0.872 1
1 405 . 1 1 1 A 35 35 LYS N N 35 120.816 119.392 1.424 1
1 406 . 1 1 1 A 36 36 VAL H H 36 8.974 8.917 0.057 1
1 407 . 1 1 1 A 36 36 VAL HA H 36 4.254 4.260 -0.006 1
1 415 . 1 1 1 A 36 36 VAL C C 36 176.808 175.866 0.942 1
1 416 . 1 1 1 A 36 36 VAL CA C 36 63.828 63.576 0.252 1
1 417 . 1 1 1 A 36 36 VAL CB C 36 31.687 32.234 -0.547 1
1 420 . 1 1 1 A 36 36 VAL N N 36 123.825 125.076 -1.251 1
1 421 . 1 1 1 A 37 37 ARG H H 37 9.327 8.978 0.349 1
1 422 . 1 1 1 A 37 37 ARG HA H 37 4.930 4.993 -0.063 1
1 427 . 1 1 1 A 37 37 ARG C C 37 173.815 174.732 -0.917 1
1 428 . 1 1 1 A 37 37 ARG CA C 37 54.351 54.898 -0.547 1
1 429 . 1 1 1 A 37 37 ARG CB C 37 34.709 34.423 0.286 1
1 432 . 1 1 1 A 37 37 ARG N N 37 128.926 126.296 2.630 1
1 433 . 1 1 1 A 38 38 LYS H H 38 8.714 8.423 0.291 1
1 434 . 1 1 1 A 38 38 LYS HA H 38 4.959 5.036 -0.077 1
1 443 . 1 1 1 A 38 38 LYS C C 38 175.075 174.789 0.286 1
1 444 . 1 1 1 A 38 38 LYS CA C 38 55.869 56.115 -0.246 1
1 445 . 1 1 1 A 38 38 LYS CB C 38 34.072 33.244 0.828 1
1 449 . 1 1 1 A 38 38 LYS N N 38 121.669 123.519 -1.850 1
1 450 . 1 1 1 A 39 39 PHE H H 39 9.751 9.232 0.519 1
1 451 . 1 1 1 A 39 39 PHE HA H 39 5.591 5.140 0.451 1
1 459 . 1 1 1 A 39 39 PHE C C 39 175.414 175.189 0.225 1
1 460 . 1 1 1 A 39 39 PHE CA C 39 57.474 57.518 -0.044 1
1 461 . 1 1 1 A 39 39 PHE CB C 39 42.667 39.684 2.983 1
1 467 . 1 1 1 A 39 39 PHE N N 39 127.216 126.820 0.396 1
1 468 . 1 1 1 A 40 40 ILE H H 40 9.246 10.508 -1.262 1
1 469 . 1 1 1 A 40 40 ILE HA H 40 4.864 5.087 -0.223 1
1 479 . 1 1 1 A 40 40 ILE C C 40 174.724 174.229 0.495 1
1 480 . 1 1 1 A 40 40 ILE CA C 40 62.134 60.175 1.959 1
1 481 . 1 1 1 A 40 40 ILE CB C 40 41.022 39.501 1.521 1
1 485 . 1 1 1 A 40 40 ILE N N 40 119.337 124.474 -5.137 1
1 486 . 1 1 1 A 41 41 LEU H H 41 9.549 9.228 0.321 1
1 487 . 1 1 1 A 41 41 LEU HA H 41 5.485 5.363 0.122 1
1 497 . 1 1 1 A 41 41 LEU C C 41 174.457 175.260 -0.803 1
1 498 . 1 1 1 A 41 41 LEU CA C 41 54.004 53.788 0.216 1
1 499 . 1 1 1 A 41 41 LEU CB C 41 45.299 45.485 -0.186 1
1 503 . 1 1 1 A 41 41 LEU N N 41 132.451 130.751 1.700 1
1 504 . 1 1 1 A 42 42 ARG H H 42 9.383 9.191 0.192 1
1 505 . 1 1 1 A 42 42 ARG HA H 42 5.492 5.308 0.184 1
1 513 . 1 1 1 A 42 42 ARG C C 42 174.893 175.330 -0.437 1
1 514 . 1 1 1 A 42 42 ARG CA C 42 54.421 54.714 -0.293 1
1 515 . 1 1 1 A 42 42 ARG CB C 42 35.470 33.668 1.802 1
1 518 . 1 1 1 A 42 42 ARG N N 42 128.467 124.946 3.521 1
1 520 . 1 1 1 A 43 43 GLU H H 43 8.259 8.212 0.047 1
1 521 . 1 1 1 A 43 43 GLU HA H 43 4.366 4.817 -0.451 1
1 526 . 1 1 1 A 43 43 GLU C C 43 174.893 175.958 -1.065 1
1 527 . 1 1 1 A 43 43 GLU CA C 43 54.898 55.807 -0.909 1
1 528 . 1 1 1 A 43 43 GLU CB C 43 33.102 31.009 2.093 1
1 530 . 1 1 1 A 43 43 GLU N N 43 115.434 121.137 -5.703 1
1 531 . 1 1 1 A 44 44 ASP H H 44 7.870 9.082 -1.212 1
1 532 . 1 1 1 A 44 44 ASP HA H 44 4.433 4.291 0.142 1
1 535 . 1 1 1 A 44 44 ASP C C 44 172.991 174.292 -1.301 1
1 536 . 1 1 1 A 44 44 ASP CA C 44 53.892 54.984 -1.092 1
1 537 . 1 1 1 A 44 44 ASP CB C 44 41.146 39.657 1.489 1
1 538 . 1 1 1 A 44 44 ASP N N 44 114.444 120.288 -5.844 1
1 539 . 1 1 1 A 45 45 PRO HA H 45 4.710 4.618 0.092 1
1 546 . 1 1 1 A 45 45 PRO C C 45 176.747 175.524 1.223 1
1 547 . 1 1 1 A 45 45 PRO CA C 45 63.246 62.677 0.569 1
1 548 . 1 1 1 A 45 45 PRO CB C 45 34.977 32.741 2.236 1
1 551 . 1 1 1 A 46 46 ALA H H 46 8.356 8.302 0.054 1
1 552 . 1 1 1 A 46 46 ALA HA H 46 5.049 4.944 0.105 1
1 556 . 1 1 1 A 46 46 ALA C C 46 175.499 176.436 -0.937 1
1 557 . 1 1 1 A 46 46 ALA CA C 46 51.545 50.744 0.801 1
1 558 . 1 1 1 A 46 46 ALA CB C 46 19.655 19.789 -0.134 1
1 559 . 1 1 1 A 46 46 ALA N N 46 122.969 123.366 -0.397 1
1 560 . 1 1 1 A 47 47 TYR H H 47 8.047 9.300 -1.253 1
1 561 . 1 1 1 A 47 47 TYR HA H 47 5.097 5.251 -0.154 1
1 568 . 1 1 1 A 47 47 TYR C C 47 173.730 174.527 -0.797 1
1 569 . 1 1 1 A 47 47 TYR CA C 47 57.563 56.468 1.095 1
1 570 . 1 1 1 A 47 47 TYR CB C 47 45.711 43.310 2.401 1
1 575 . 1 1 1 A 47 47 TYR N N 47 126.550 121.089 5.461 1
1 576 . 1 1 1 A 48 48 LEU H H 48 8.776 8.901 -0.125 1
1 577 . 1 1 1 A 48 48 LEU HA H 48 5.578 5.264 0.314 1
1 587 . 1 1 1 A 48 48 LEU C C 48 175.039 174.836 0.203 1
1 588 . 1 1 1 A 48 48 LEU CA C 48 53.134 53.744 -0.610 1
1 589 . 1 1 1 A 48 48 LEU CB C 48 46.369 45.048 1.321 1
1 593 . 1 1 1 A 48 48 LEU N N 48 120.864 123.157 -2.293 1
1 594 . 1 1 1 A 49 49 HIS H H 49 8.974 9.375 -0.401 1
1 595 . 1 1 1 A 49 49 HIS HA H 49 5.181 4.960 0.221 1
1 600 . 1 1 1 A 49 49 HIS C C 49 174.712 173.675 1.037 1
1 601 . 1 1 1 A 49 49 HIS CA C 49 57.916 54.026 3.890 1
1 602 . 1 1 1 A 49 49 HIS CB C 49 35.347 31.993 3.354 1
1 605 . 1 1 1 A 49 49 HIS N N 49 124.417 126.321 -1.904 1
1 606 . 1 1 1 A 50 50 TYR H H 50 7.348 8.137 -0.789 1
1 607 . 1 1 1 A 50 50 TYR HA H 50 5.909 5.726 0.183 1
1 614 . 1 1 1 A 50 50 TYR C C 50 174.239 173.040 1.199 1
1 615 . 1 1 1 A 50 50 TYR CA C 50 53.610 55.076 -1.466 1
1 616 . 1 1 1 A 50 50 TYR CB C 50 40.077 40.700 -0.623 1
1 621 . 1 1 1 A 50 50 TYR N N 50 114.323 118.730 -4.407 1
1 622 . 1 1 1 A 51 51 TYR H H 51 9.230 9.357 -0.127 1
1 623 . 1 1 1 A 51 51 TYR HA H 51 4.555 4.893 -0.338 1
1 630 . 1 1 1 A 51 51 TYR C C 51 175.572 174.774 0.798 1
1 631 . 1 1 1 A 51 51 TYR CA C 51 57.175 57.439 -0.264 1
1 632 . 1 1 1 A 51 51 TYR CB C 51 42.709 41.972 0.737 1
1 637 . 1 1 1 A 51 51 TYR N N 51 117.695 122.726 -5.031 1
1 638 . 1 1 1 A 52 52 ASP H H 52 9.390 8.816 0.574 1
1 639 . 1 1 1 A 52 52 ASP HA H 52 4.937 5.034 -0.097 1
1 642 . 1 1 1 A 52 52 ASP CA C 52 52.057 51.332 0.725 1
1 643 . 1 1 1 A 52 52 ASP CB C 52 42.197 42.475 -0.278 1
1 644 . 1 1 1 A 52 52 ASP N N 52 123.964 122.471 1.493 1
1 645 . 1 1 1 A 53 53 PRO HA H 53 4.274 4.433 -0.159 1
1 652 . 1 1 1 A 53 53 PRO C C 53 176.360 178.277 -1.917 1
1 653 . 1 1 1 A 53 53 PRO CA C 53 64.728 64.989 -0.261 1
1 654 . 1 1 1 A 53 53 PRO CB C 53 32.016 32.111 -0.095 1
1 657 . 1 1 1 A 54 54 ALA H H 54 8.384 8.229 0.155 1
1 658 . 1 1 1 A 54 54 ALA HA H 54 4.492 4.101 0.391 1
1 662 . 1 1 1 A 54 54 ALA C C 54 177.620 177.694 -0.074 1
1 663 . 1 1 1 A 54 54 ALA CA C 54 52.022 54.916 -2.894 1
1 664 . 1 1 1 A 54 54 ALA CB C 54 19.202 19.146 0.056 1
1 665 . 1 1 1 A 54 54 ALA N N 54 120.140 118.722 1.418 1
1 666 . 1 1 1 A 55 55 GLY H H 55 7.710 8.008 -0.298 1
1 667 . 1 1 1 A 55 55 GLY HA2 H 55 4.194 4.101 0.093 1
1 668 . 1 1 1 A 55 55 GLY HA3 H 55 3.833 4.104 -0.271 1
1 669 . 1 1 1 A 55 55 GLY C C 55 173.524 173.176 0.348 1
1 670 . 1 1 1 A 55 55 GLY CA C 55 45.421 46.080 -0.659 1
1 671 . 1 1 1 A 55 55 GLY N N 55 107.828 102.844 4.984 1
1 672 . 1 1 1 A 56 56 ALA H H 56 8.339 8.356 -0.017 1
1 673 . 1 1 1 A 56 56 ALA HA H 56 4.378 4.050 0.328 1
1 677 . 1 1 1 A 56 56 ALA C C 56 177.741 176.967 0.774 1
1 678 . 1 1 1 A 56 56 ALA CA C 56 52.410 54.416 -2.006 1
1 679 . 1 1 1 A 56 56 ALA CB C 56 19.843 17.904 1.939 1
1 680 . 1 1 1 A 56 56 ALA N N 56 125.269 124.637 0.632 1
1 681 . 1 1 1 A 57 57 GLU H H 57 8.567 8.839 -0.272 1
1 682 . 1 1 1 A 57 57 GLU HA H 57 4.160 4.480 -0.320 1
1 687 . 1 1 1 A 57 57 GLU C C 57 176.335 175.660 0.675 1
1 688 . 1 1 1 A 57 57 GLU CA C 57 57.616 57.989 -0.373 1
1 689 . 1 1 1 A 57 57 GLU CB C 57 30.083 32.420 -2.337 1
1 691 . 1 1 1 A 57 57 GLU N N 57 119.341 120.133 -0.792 1
1 692 . 1 1 1 A 58 58 ASP H H 58 7.718 8.062 -0.344 1
1 693 . 1 1 1 A 58 58 ASP HA H 58 5.010 4.990 0.020 1
1 696 . 1 1 1 A 58 58 ASP C C 58 173.209 174.212 -1.003 1
1 697 . 1 1 1 A 58 58 ASP CA C 58 52.128 52.345 -0.217 1
1 698 . 1 1 1 A 58 58 ASP CB C 58 40.981 40.556 0.425 1
1 699 . 1 1 1 A 58 58 ASP N N 58 118.499 118.716 -0.217 1
1 700 . 1 1 1 A 59 59 PRO HA H 59 3.493 4.177 -0.684 1
1 707 . 1 1 1 A 59 59 PRO C C 59 177.111 177.773 -0.662 1
1 708 . 1 1 1 A 59 59 PRO CA C 59 63.069 62.308 0.761 1
1 709 . 1 1 1 A 59 59 PRO CB C 59 31.229 31.440 -0.211 1
1 712 . 1 1 1 A 60 60 LEU H H 60 8.770 8.335 0.435 1
1 713 . 1 1 1 A 60 60 LEU HA H 60 4.114 3.891 0.223 1
1 723 . 1 1 1 A 60 60 LEU C C 60 177.268 176.476 0.792 1
1 724 . 1 1 1 A 60 60 LEU CA C 60 55.181 56.903 -1.722 1
1 725 . 1 1 1 A 60 60 LEU CB C 60 42.750 42.175 0.575 1
1 729 . 1 1 1 A 60 60 LEU N N 60 121.907 121.265 0.642 1
1 730 . 1 1 1 A 61 61 GLY H H 61 6.472 6.499 -0.027 1
1 731 . 1 1 1 A 61 61 GLY HA2 H 61 3.798 3.876 -0.078 1
1 732 . 1 1 1 A 61 61 GLY HA3 H 61 3.382 3.890 -0.508 1
1 733 . 1 1 1 A 61 61 GLY C C 61 169.367 170.791 -1.424 1
1 734 . 1 1 1 A 61 61 GLY CA C 61 45.033 45.554 -0.521 1
1 735 . 1 1 1 A 61 61 GLY N N 61 103.740 103.491 0.249 1
1 736 . 1 1 1 A 62 62 ALA H H 62 8.024 8.194 -0.170 1
1 737 . 1 1 1 A 62 62 ALA HA H 62 4.644 4.964 -0.320 1
1 741 . 1 1 1 A 62 62 ALA C C 62 176.226 175.373 0.853 1
1 742 . 1 1 1 A 62 62 ALA CA C 62 50.839 51.023 -0.184 1
1 743 . 1 1 1 A 62 62 ALA CB C 62 23.914 22.444 1.470 1
1 744 . 1 1 1 A 62 62 ALA N N 62 120.249 121.265 -1.016 1
1 745 . 1 1 1 A 63 63 ILE H H 63 8.810 8.751 0.059 1
1 746 . 1 1 1 A 63 63 ILE HA H 63 4.119 4.812 -0.693 1
1 756 . 1 1 1 A 63 63 ILE C C 63 174.724 175.721 -0.997 1
1 757 . 1 1 1 A 63 63 ILE CA C 63 60.757 60.449 0.308 1
1 758 . 1 1 1 A 63 63 ILE CB C 63 40.319 40.069 0.250 1
1 762 . 1 1 1 A 63 63 ILE N N 63 122.110 119.785 2.325 1
1 763 . 1 1 1 A 64 64 HIS H H 64 9.073 9.131 -0.058 1
1 764 . 1 1 1 A 64 64 HIS HA H 64 3.948 4.472 -0.524 1
1 769 . 1 1 1 A 64 64 HIS C C 64 176.529 175.246 1.283 1
1 770 . 1 1 1 A 64 64 HIS CA C 64 54.951 57.467 -2.516 1
1 771 . 1 1 1 A 64 64 HIS CB C 64 30.494 30.598 -0.104 1
1 774 . 1 1 1 A 64 64 HIS N N 64 129.092 128.145 0.947 1
1 775 . 1 1 1 A 65 65 LEU H H 65 7.770 7.912 -0.142 1
1 776 . 1 1 1 A 65 65 LEU HA H 65 4.074 4.533 -0.459 1
1 786 . 1 1 1 A 65 65 LEU C C 65 176.808 176.996 -0.188 1
1 787 . 1 1 1 A 65 65 LEU CA C 65 54.951 54.533 0.418 1
1 788 . 1 1 1 A 65 65 LEU CB C 65 42.667 42.832 -0.165 1
1 792 . 1 1 1 A 65 65 LEU N N 65 124.760 128.529 -3.769 1
1 793 . 1 1 1 A 66 66 ARG H H 66 6.515 7.620 -1.105 1
1 794 . 1 1 1 A 66 66 ARG HA H 66 4.085 3.907 0.178 1
1 801 . 1 1 1 A 66 66 ARG C C 66 178.638 176.745 1.893 1
1 802 . 1 1 1 A 66 66 ARG CA C 66 58.092 57.748 0.344 1
1 803 . 1 1 1 A 66 66 ARG CB C 66 29.525 29.536 -0.011 1
1 806 . 1 1 1 A 66 66 ARG N N 66 120.462 120.299 0.163 1
1 807 . 1 1 1 A 67 67 GLY H H 67 9.300 7.261 2.039 1
1 808 . 1 1 1 A 67 67 GLY HA2 H 67 4.045 3.998 0.047 1
1 809 . 1 1 1 A 67 67 GLY HA3 H 67 3.826 4.012 -0.186 1
1 810 . 1 1 1 A 67 67 GLY C C 67 173.996 173.753 0.243 1
1 811 . 1 1 1 A 67 67 GLY CA C 67 46.162 45.629 0.533 1
1 812 . 1 1 1 A 67 67 GLY N N 67 118.040 105.737 12.303 1
1 813 . 1 1 1 A 68 68 CYS H H 68 7.789 7.620 0.169 1
1 814 . 1 1 1 A 68 68 CYS HA H 68 4.779 4.439 0.340 1
1 817 . 1 1 1 A 68 68 CYS C C 68 173.148 173.988 -0.840 1
1 818 . 1 1 1 A 68 68 CYS CA C 68 57.545 59.159 -1.614 1
1 819 . 1 1 1 A 68 68 CYS CB C 68 28.644 28.956 -0.312 1
1 820 . 1 1 1 A 68 68 CYS N N 68 116.032 118.656 -2.624 1
1 821 . 1 1 1 A 69 69 VAL H H 69 8.665 9.562 -0.897 1
1 822 . 1 1 1 A 69 69 VAL HA H 69 4.364 4.808 -0.444 1
1 830 . 1 1 1 A 69 69 VAL C C 69 174.154 174.874 -0.720 1
1 831 . 1 1 1 A 69 69 VAL CA C 69 61.464 60.688 0.776 1
1 832 . 1 1 1 A 69 69 VAL CB C 69 35.041 35.718 -0.677 1
1 835 . 1 1 1 A 69 69 VAL N N 69 120.327 121.349 -1.022 1
1 836 . 1 1 1 A 70 70 VAL H H 70 8.656 8.677 -0.021 1
1 837 . 1 1 1 A 70 70 VAL HA H 70 5.543 5.107 0.436 1
1 845 . 1 1 1 A 70 70 VAL C C 70 174.105 175.295 -1.190 1
1 846 . 1 1 1 A 70 70 VAL CA C 70 59.028 61.148 -2.120 1
1 847 . 1 1 1 A 70 70 VAL CB C 70 34.237 33.862 0.375 1
1 850 . 1 1 1 A 70 70 VAL N N 70 124.719 125.869 -1.150 1
1 851 . 1 1 1 A 71 71 THR H H 71 8.883 8.597 0.286 1
1 852 . 1 1 1 A 71 71 THR HA H 71 4.724 4.736 -0.012 1
1 857 . 1 1 1 A 71 71 THR C C 71 173.087 172.668 0.419 1
1 858 . 1 1 1 A 71 71 THR CA C 71 59.875 60.951 -1.076 1
1 859 . 1 1 1 A 71 71 THR CB C 71 71.290 70.874 0.416 1
1 861 . 1 1 1 A 71 71 THR N N 71 120.107 120.207 -0.100 1
1 862 . 1 1 1 A 72 72 SER H H 72 8.706 8.511 0.195 1
1 863 . 1 1 1 A 72 72 SER HA H 72 4.455 5.187 -0.732 1
1 866 . 1 1 1 A 72 72 SER C C 72 174.082 174.571 -0.489 1
1 867 . 1 1 1 A 72 72 SER CA C 72 59.204 57.205 1.999 1
1 868 . 1 1 1 A 72 72 SER CB C 72 63.476 65.166 -1.690 1
1 869 . 1 1 1 A 72 72 SER N N 72 120.128 120.905 -0.777 1
1 870 . 1 1 1 A 73 73 VAL H H 73 7.825 8.635 -0.810 1
1 871 . 1 1 1 A 73 73 VAL HA H 73 4.302 4.769 -0.467 1
1 879 . 1 1 1 A 73 73 VAL C C 73 175.160 176.230 -1.070 1
1 880 . 1 1 1 A 73 73 VAL CA C 73 62.010 59.807 2.203 1
1 881 . 1 1 1 A 73 73 VAL CB C 73 33.579 34.261 -0.682 1
1 884 . 1 1 1 A 73 73 VAL N N 73 125.377 117.403 7.974 1
1 885 . 1 1 1 A 74 74 GLU H H 74 8.706 8.986 -0.280 1
1 886 . 1 1 1 A 74 74 GLU HA H 74 4.544 4.185 0.359 1
1 891 . 1 1 1 A 74 74 GLU C C 74 176.420 176.505 -0.085 1
1 892 . 1 1 1 A 74 74 GLU CA C 74 55.622 58.948 -3.326 1
1 893 . 1 1 1 A 74 74 GLU CB C 74 30.741 29.888 0.853 1
1 895 . 1 1 1 A 74 74 GLU N N 74 126.564 122.117 4.447 1
1 896 . 1 1 1 A 75 75 SER H H 75 8.639 8.077 0.562 1
1 897 . 1 1 1 A 75 75 SER HA H 75 4.447 4.122 0.325 1
1 900 . 1 1 1 A 75 75 SER C C 75 174.299 174.240 0.059 1
1 901 . 1 1 1 A 75 75 SER CA C 75 58.339 59.061 -0.722 1
1 902 . 1 1 1 A 75 75 SER CB C 75 64.170 61.309 2.861 1
1 903 . 1 1 1 A 75 75 SER N N 75 117.961 114.467 3.494 1
1 904 . 1 1 1 A 76 76 ASN H H 76 8.672 8.121 0.551 1
1 905 . 1 1 1 A 76 76 ASN HA H 76 4.795 4.292 0.503 1
1 910 . 1 1 1 A 76 76 ASN C C 76 175.584 175.715 -0.131 1
1 911 . 1 1 1 A 76 76 ASN CA C 76 53.292 56.258 -2.966 1
1 912 . 1 1 1 A 76 76 ASN CB C 76 39.089 38.508 0.581 1
1 913 . 1 1 1 A 76 76 ASN N N 76 121.138 124.118 -2.980 1
1 915 . 1 1 1 A 78 78 ASN HA H 78 4.635 5.167 -0.532 1
1 920 . 1 1 1 A 78 78 ASN C C 78 175.681 174.514 1.167 1
1 921 . 1 1 1 A 78 78 ASN CA C 78 53.610 52.535 1.075 1
1 922 . 1 1 1 A 78 78 ASN CB C 78 38.496 41.427 -2.931 1
1 924 . 1 1 1 A 79 79 GLY H H 79 8.356 8.365 -0.009 1
1 925 . 1 1 1 A 79 79 GLY HA2 H 79 3.821 3.957 -0.136 1
1 926 . 1 1 1 A 79 79 GLY HA3 H 79 4.011 3.958 0.053 1
1 927 . 1 1 1 A 79 79 GLY C C 79 174.154 172.373 1.781 1
1 928 . 1 1 1 A 79 79 GLY CA C 79 45.563 45.863 -0.300 1
1 929 . 1 1 1 A 79 79 GLY N N 79 108.284 110.894 -2.610 1
1 930 . 1 1 1 A 80 80 ARG H H 80 7.919 8.408 -0.489 1
1 931 . 1 1 1 A 80 80 ARG HA H 80 4.344 4.668 -0.324 1
1 938 . 1 1 1 A 80 80 ARG C C 80 176.117 175.399 0.718 1
1 939 . 1 1 1 A 80 80 ARG CA C 80 55.905 55.375 0.530 1
1 940 . 1 1 1 A 80 80 ARG CB C 80 30.782 33.383 -2.601 1
1 943 . 1 1 1 A 80 80 ARG N N 80 120.470 123.952 -3.482 1
1 944 . 1 1 1 A 81 81 LYS H H 81 8.427 9.450 -1.023 1
1 945 . 1 1 1 A 81 81 LYS HA H 81 4.350 4.052 0.298 1
1 954 . 1 1 1 A 81 81 LYS C C 81 176.808 176.200 0.608 1
1 955 . 1 1 1 A 81 81 LYS CA C 81 56.416 58.485 -2.069 1
1 956 . 1 1 1 A 81 81 LYS CB C 81 32.797 31.437 1.360 1
1 960 . 1 1 1 A 81 81 LYS N N 81 122.963 124.274 -1.311 1
1 961 . 1 1 1 A 82 82 SER H H 82 8.440 8.571 -0.131 1
1 962 . 1 1 1 A 82 82 SER HA H 82 4.380 4.246 0.134 1
1 965 . 1 1 1 A 82 82 SER C C 82 174.833 174.469 0.364 1
1 966 . 1 1 1 A 82 82 SER CA C 82 58.763 58.972 -0.209 1
1 967 . 1 1 1 A 82 82 SER CB C 82 63.723 61.558 2.165 1
1 968 . 1 1 1 A 82 82 SER N N 82 118.053 112.986 5.067 1
1 969 . 1 1 1 A 83 83 GLU H H 83 8.648 8.173 0.475 1
1 970 . 1 1 1 A 83 83 GLU HA H 83 4.233 3.944 0.289 1
1 975 . 1 1 1 A 83 83 GLU C C 83 176.311 175.854 0.457 1
1 976 . 1 1 1 A 83 83 GLU CA C 83 57.104 59.940 -2.836 1
1 977 . 1 1 1 A 83 83 GLU CB C 83 29.795 29.670 0.125 1
1 979 . 1 1 1 A 83 83 GLU N N 83 121.793 123.965 -2.172 1
1 980 . 1 1 1 A 84 84 GLU H H 84 8.088 7.838 0.250 1
1 981 . 1 1 1 A 84 84 GLU HA H 84 4.161 4.430 -0.269 1
1 986 . 1 1 1 A 84 84 GLU C C 84 175.523 174.797 0.726 1
1 987 . 1 1 1 A 84 84 GLU CA C 84 56.275 55.129 1.146 1
1 988 . 1 1 1 A 84 84 GLU CB C 84 30.165 32.545 -2.380 1
1 990 . 1 1 1 A 84 84 GLU N N 84 119.385 116.507 2.878 1
1 991 . 1 1 1 A 85 85 GLU H H 85 7.907 8.588 -0.681 1
1 992 . 1 1 1 A 85 85 GLU HA H 85 4.350 4.884 -0.534 1
1 997 . 1 1 1 A 85 85 GLU C C 85 175.002 175.267 -0.265 1
1 998 . 1 1 1 A 85 85 GLU CA C 85 55.569 54.556 1.013 1
1 999 . 1 1 1 A 85 85 GLU CB C 85 32.098 33.222 -1.124 1
1 1001 . 1 1 1 A 85 85 GLU N N 85 120.414 122.664 -2.250 1
1 1002 . 1 1 1 A 86 86 ASN H H 86 8.569 8.686 -0.117 1
1 1003 . 1 1 1 A 86 86 ASN HA H 86 4.225 4.363 -0.138 1
1 1008 . 1 1 1 A 86 86 ASN C C 86 175.147 174.216 0.931 1
1 1009 . 1 1 1 A 86 86 ASN CA C 86 54.068 53.910 0.158 1
1 1010 . 1 1 1 A 86 86 ASN CB C 86 38.185 37.138 1.047 1
1 1011 . 1 1 1 A 86 86 ASN N N 86 114.602 116.546 -1.944 1
1 1013 . 1 1 1 A 87 87 LEU H H 87 8.483 7.996 0.487 1
1 1014 . 1 1 1 A 87 87 LEU HA H 87 5.186 5.289 -0.103 1
1 1024 . 1 1 1 A 87 87 LEU C C 87 178.480 175.653 2.827 1
1 1025 . 1 1 1 A 87 87 LEU CA C 87 55.128 53.057 2.071 1
1 1026 . 1 1 1 A 87 87 LEU CB C 87 44.559 46.310 -1.751 1
1 1030 . 1 1 1 A 87 87 LEU N N 87 121.334 121.008 0.326 1
1 1031 . 1 1 1 A 88 88 PHE H H 88 9.512 8.041 1.471 1
1 1032 . 1 1 1 A 88 88 PHE HA H 88 5.156 5.027 0.129 1
1 1040 . 1 1 1 A 88 88 PHE C C 88 170.288 171.998 -1.710 1
1 1041 . 1 1 1 A 88 88 PHE CA C 88 56.787 56.648 0.139 1
1 1042 . 1 1 1 A 88 88 PHE CB C 88 41.763 40.867 0.896 1
1 1048 . 1 1 1 A 88 88 PHE N N 88 119.324 117.453 1.871 1
1 1049 . 1 1 1 A 89 89 GLU H H 89 9.028 8.555 0.473 1
1 1050 . 1 1 1 A 89 89 GLU HA H 89 5.293 4.893 0.400 1
1 1055 . 1 1 1 A 89 89 GLU C C 89 175.245 174.959 0.286 1
1 1056 . 1 1 1 A 89 89 GLU CA C 89 53.433 55.152 -1.719 1
1 1057 . 1 1 1 A 89 89 GLU CB C 89 34.566 31.189 3.377 1
1 1059 . 1 1 1 A 89 89 GLU N N 89 121.829 120.568 1.261 1
1 1060 . 1 1 1 A 90 90 ILE H H 90 8.655 8.505 0.150 1
1 1061 . 1 1 1 A 90 90 ILE HA H 90 4.793 4.764 0.029 1
1 1071 . 1 1 1 A 90 90 ILE C C 90 174.808 175.252 -0.444 1
1 1072 . 1 1 1 A 90 90 ILE CA C 90 59.857 60.355 -0.498 1
1 1073 . 1 1 1 A 90 90 ILE CB C 90 41.886 39.771 2.115 1
1 1077 . 1 1 1 A 90 90 ILE N N 90 123.446 126.441 -2.995 1
1 1078 . 1 1 1 A 91 91 ILE H H 91 9.199 8.579 0.620 1
1 1079 . 1 1 1 A 91 91 ILE HA H 91 4.724 4.539 0.185 1
1 1089 . 1 1 1 A 91 91 ILE C C 91 177.898 176.488 1.410 1
1 1090 . 1 1 1 A 91 91 ILE CA C 91 60.211 61.491 -1.280 1
1 1091 . 1 1 1 A 91 91 ILE CB C 91 39.043 37.382 1.661 1
1 1095 . 1 1 1 A 91 91 ILE N N 91 126.827 128.657 -1.830 1
1 1096 . 1 1 1 A 92 92 THR H H 92 9.086 8.155 0.931 1
1 1097 . 1 1 1 A 92 92 THR HA H 92 4.314 4.764 -0.450 1
1 1102 . 1 1 1 A 92 92 THR C C 92 176.857 175.014 1.843 1
1 1103 . 1 1 1 A 92 92 THR CA C 92 61.693 60.202 1.491 1
1 1104 . 1 1 1 A 92 92 THR CB C 92 70.920 70.293 0.627 1
1 1106 . 1 1 1 A 92 92 THR N N 92 117.131 117.455 -0.324 1
1 1107 . 1 1 1 A 93 93 ALA H H 93 9.192 8.803 0.389 1
1 1108 . 1 1 1 A 93 93 ALA HA H 93 4.101 4.071 0.030 1
1 1112 . 1 1 1 A 93 93 ALA C C 93 178.008 177.457 0.551 1
1 1113 . 1 1 1 A 93 93 ALA CA C 93 54.634 54.285 0.349 1
1 1114 . 1 1 1 A 93 93 ALA CB C 93 18.198 18.468 -0.270 1
1 1115 . 1 1 1 A 93 93 ALA N N 93 123.540 123.506 0.034 1
1 1116 . 1 1 1 A 94 94 ASP H H 94 7.979 7.646 0.333 1
1 1117 . 1 1 1 A 94 94 ASP HA H 94 4.724 4.701 0.023 1
1 1120 . 1 1 1 A 94 94 ASP C C 94 174.324 175.525 -1.201 1
1 1121 . 1 1 1 A 94 94 ASP CA C 94 53.098 53.765 -0.667 1
1 1122 . 1 1 1 A 94 94 ASP CB C 94 39.336 41.041 -1.705 1
1 1123 . 1 1 1 A 94 94 ASP N N 94 113.209 116.471 -3.262 1
1 1124 . 1 1 1 A 95 95 GLU H H 95 8.152 7.930 0.222 1
1 1125 . 1 1 1 A 95 95 GLU HA H 95 3.430 3.798 -0.368 1
1 1130 . 1 1 1 A 95 95 GLU C C 95 174.578 175.511 -0.933 1
1 1131 . 1 1 1 A 95 95 GLU CA C 95 57.687 58.079 -0.392 1
1 1132 . 1 1 1 A 95 95 GLU CB C 95 26.300 27.491 -1.191 1
1 1134 . 1 1 1 A 95 95 GLU N N 95 114.010 115.126 -1.116 1
1 1135 . 1 1 1 A 96 96 VAL H H 96 7.595 7.186 0.409 1
1 1136 . 1 1 1 A 96 96 VAL HA H 96 4.063 3.904 0.159 1
1 1144 . 1 1 1 A 96 96 VAL C C 96 175.293 175.117 0.176 1
1 1145 . 1 1 1 A 96 96 VAL CA C 96 62.751 63.191 -0.440 1
1 1146 . 1 1 1 A 96 96 VAL CB C 96 31.440 31.521 -0.081 1
1 1149 . 1 1 1 A 96 96 VAL N N 96 120.925 120.438 0.487 1
1 1150 . 1 1 1 A 97 97 HIS H H 97 8.603 9.134 -0.531 1
1 1151 . 1 1 1 A 97 97 HIS HA H 97 5.234 5.126 0.108 1
1 1156 . 1 1 1 A 97 97 HIS C C 97 174.348 173.564 0.784 1
1 1157 . 1 1 1 A 97 97 HIS CA C 97 54.404 53.558 0.846 1
1 1158 . 1 1 1 A 97 97 HIS CB C 97 30.536 31.994 -1.458 1
1 1161 . 1 1 1 A 97 97 HIS N N 97 124.160 126.620 -2.460 1
1 1162 . 1 1 1 A 98 98 TYR H H 98 9.267 8.868 0.399 1
1 1163 . 1 1 1 A 98 98 TYR HA H 98 4.532 4.947 -0.415 1
1 1170 . 1 1 1 A 98 98 TYR C C 98 173.621 174.386 -0.765 1
1 1171 . 1 1 1 A 98 98 TYR CA C 98 57.122 56.307 0.815 1
1 1172 . 1 1 1 A 98 98 TYR CB C 98 41.228 41.713 -0.485 1
1 1177 . 1 1 1 A 98 98 TYR N N 98 121.543 120.358 1.185 1
1 1178 . 1 1 1 A 99 99 PHE H H 99 8.861 9.202 -0.341 1
1 1179 . 1 1 1 A 99 99 PHE HA H 99 4.983 5.161 -0.178 1
1 1186 . 1 1 1 A 99 99 PHE C C 99 173.754 174.702 -0.948 1
1 1187 . 1 1 1 A 99 99 PHE CA C 99 57.705 56.885 0.820 1
1 1188 . 1 1 1 A 99 99 PHE CB C 99 41.516 39.468 2.048 1
1 1193 . 1 1 1 A 99 99 PHE N N 99 121.699 123.001 -1.302 1
1 1194 . 1 1 1 A 100 100 LEU H H 100 8.529 8.088 0.441 1
1 1195 . 1 1 1 A 100 100 LEU HA H 100 5.345 5.267 0.078 1
1 1205 . 1 1 1 A 100 100 LEU C C 100 174.942 175.448 -0.506 1
1 1206 . 1 1 1 A 100 100 LEU CA C 100 52.781 52.772 0.009 1
1 1207 . 1 1 1 A 100 100 LEU CB C 100 44.518 43.614 0.904 1
1 1211 . 1 1 1 A 100 100 LEU N N 100 123.519 124.866 -1.347 1
1 1212 . 1 1 1 A 101 101 GLN H H 101 8.717 8.435 0.282 1
1 1213 . 1 1 1 A 101 101 GLN HA H 101 4.886 5.190 -0.304 1
1 1220 . 1 1 1 A 101 101 GLN C C 101 175.390 174.437 0.953 1
1 1221 . 1 1 1 A 101 101 GLN CA C 101 54.934 54.433 0.501 1
1 1222 . 1 1 1 A 101 101 GLN CB C 101 32.222 32.120 0.102 1
1 1224 . 1 1 1 A 101 101 GLN N N 101 117.786 120.710 -2.924 1
1 1226 . 1 1 1 A 102 102 ALA H H 102 8.256 8.549 -0.293 1
1 1227 . 1 1 1 A 102 102 ALA HA H 102 4.862 4.951 -0.089 1
1 1231 . 1 1 1 A 102 102 ALA C C 102 176.008 177.772 -1.764 1
1 1232 . 1 1 1 A 102 102 ALA CA C 102 50.098 50.697 -0.599 1
1 1233 . 1 1 1 A 102 102 ALA CB C 102 21.606 20.930 0.676 1
1 1234 . 1 1 1 A 102 102 ALA N N 102 128.068 128.537 -0.469 1
1 1235 . 1 1 1 A 103 103 ALA H H 103 9.255 8.829 0.426 1
1 1236 . 1 1 1 A 103 103 ALA HA H 103 4.247 4.219 0.028 1
1 1240 . 1 1 1 A 103 103 ALA C C 103 178.153 177.874 0.279 1
1 1241 . 1 1 1 A 103 103 ALA CA C 103 54.369 55.358 -0.989 1
1 1242 . 1 1 1 A 103 103 ALA CB C 103 20.377 18.834 1.543 1
1 1243 . 1 1 1 A 103 103 ALA N N 103 120.410 123.211 -2.801 1
1 1244 . 1 1 1 A 104 104 THR H H 104 7.149 7.780 -0.631 1
1 1245 . 1 1 1 A 104 104 THR HA H 104 4.846 4.684 0.162 1
1 1250 . 1 1 1 A 104 104 THR C C 104 173.354 174.610 -1.256 1
1 1251 . 1 1 1 A 104 104 THR CA C 104 57.810 59.826 -2.016 1
1 1252 . 1 1 1 A 104 104 THR CB C 104 71.496 69.437 2.059 1
1 1254 . 1 1 1 A 104 104 THR N N 104 103.106 109.413 -6.307 1
1 1255 . 1 1 1 A 105 105 PRO HA H 105 4.225 4.614 -0.389 1
1 1262 . 1 1 1 A 105 105 PRO C C 105 179.704 177.966 1.738 1
1 1263 . 1 1 1 A 105 105 PRO CA C 105 65.046 64.179 0.867 1
1 1264 . 1 1 1 A 105 105 PRO CB C 105 31.775 31.817 -0.042 1
1 1267 . 1 1 1 A 106 106 LYS H H 106 7.764 8.193 -0.429 1
1 1268 . 1 1 1 A 106 106 LYS HA H 106 4.036 4.128 -0.092 1
1 1277 . 1 1 1 A 106 106 LYS C C 106 177.959 179.135 -1.176 1
1 1278 . 1 1 1 A 106 106 LYS CA C 106 59.452 58.787 0.665 1
1 1279 . 1 1 1 A 106 106 LYS CB C 106 32.797 32.659 0.138 1
1 1283 . 1 1 1 A 106 106 LYS N N 106 119.261 117.513 1.748 1
1 1284 . 1 1 1 A 107 107 GLU H H 107 8.005 7.733 0.272 1
1 1285 . 1 1 1 A 107 107 GLU HA H 107 4.171 4.009 0.162 1
1 1290 . 1 1 1 A 107 107 GLU C C 107 178.529 178.859 -0.330 1
1 1291 . 1 1 1 A 107 107 GLU CA C 107 59.310 59.231 0.079 1
1 1292 . 1 1 1 A 107 107 GLU CB C 107 31.111 29.148 1.963 1
1 1294 . 1 1 1 A 107 107 GLU N N 107 119.293 119.214 0.079 1
1 1295 . 1 1 1 A 108 108 ARG H H 108 7.810 7.500 0.310 1
1 1296 . 1 1 1 A 108 108 ARG HA H 108 3.603 4.252 -0.649 1
1 1303 . 1 1 1 A 108 108 ARG C C 108 176.287 178.933 -2.646 1
1 1304 . 1 1 1 A 108 108 ARG CA C 108 60.598 58.993 1.605 1
1 1305 . 1 1 1 A 108 108 ARG CB C 108 29.548 30.143 -0.595 1
1 1308 . 1 1 1 A 108 108 ARG N N 108 118.989 119.939 -0.950 1
1 1309 . 1 1 1 A 109 109 THR H H 109 8.195 8.135 0.060 1
1 1310 . 1 1 1 A 109 109 THR HA H 109 3.645 3.817 -0.172 1
1 1315 . 1 1 1 A 109 109 THR C C 109 176.227 176.602 -0.375 1
1 1316 . 1 1 1 A 109 109 THR CA C 109 67.022 67.375 -0.353 1
1 1317 . 1 1 1 A 109 109 THR CB C 109 68.576 68.500 0.076 1
1 1319 . 1 1 1 A 109 109 THR N N 109 115.975 115.750 0.225 1
1 1320 . 1 1 1 A 110 110 GLU H H 110 8.274 8.403 -0.129 1
1 1321 . 1 1 1 A 110 110 GLU HA H 110 3.794 3.882 -0.088 1
1 1326 . 1 1 1 A 110 110 GLU C C 110 180.516 179.362 1.154 1
1 1327 . 1 1 1 A 110 110 GLU CA C 110 59.534 59.663 -0.129 1
1 1328 . 1 1 1 A 110 110 GLU CB C 110 29.507 29.278 0.229 1
1 1330 . 1 1 1 A 110 110 GLU N N 110 119.565 118.975 0.590 1
1 1331 . 1 1 1 A 111 111 TRP H H 111 8.316 9.022 -0.706 1
1 1332 . 1 1 1 A 111 111 TRP HA H 111 3.912 4.301 -0.389 1
1 1341 . 1 1 1 A 111 111 TRP C C 111 178.020 178.488 -0.468 1
1 1342 . 1 1 1 A 111 111 TRP CA C 111 62.464 60.175 2.289 1
1 1343 . 1 1 1 A 111 111 TRP CB C 111 29.548 29.424 0.124 1
1 1349 . 1 1 1 A 111 111 TRP N N 111 120.868 120.674 0.194 1
1 1351 . 1 1 1 A 112 112 ILE H H 112 8.271 7.697 0.574 1
1 1352 . 1 1 1 A 112 112 ILE HA H 112 3.254 3.553 -0.299 1
1 1362 . 1 1 1 A 112 112 ILE C C 112 177.669 177.973 -0.304 1
1 1363 . 1 1 1 A 112 112 ILE CA C 112 67.040 64.949 2.091 1
1 1364 . 1 1 1 A 112 112 ILE CB C 112 37.856 37.595 0.261 1
1 1368 . 1 1 1 A 112 112 ILE N N 112 118.862 119.489 -0.627 1
1 1369 . 1 1 1 A 113 113 LYS H H 113 8.042 8.185 -0.143 1
1 1370 . 1 1 1 A 113 113 LYS HA H 113 3.991 3.987 0.004 1
1 1379 . 1 1 1 A 113 113 LYS C C 113 178.977 178.980 -0.003 1
1 1380 . 1 1 1 A 113 113 LYS CA C 113 59.328 59.553 -0.225 1
1 1381 . 1 1 1 A 113 113 LYS CB C 113 32.345 32.248 0.097 1
1 1385 . 1 1 1 A 113 113 LYS N N 113 117.182 120.018 -2.836 1
1 1386 . 1 1 1 A 114 114 ALA H H 114 7.686 8.933 -1.247 1
1 1387 . 1 1 1 A 114 114 ALA HA H 114 4.058 4.089 -0.031 1
1 1391 . 1 1 1 A 114 114 ALA C C 114 179.849 179.946 -0.097 1
1 1392 . 1 1 1 A 114 114 ALA CA C 114 55.146 55.225 -0.079 1
1 1393 . 1 1 1 A 114 114 ALA CB C 114 18.362 18.588 -0.226 1
1 1394 . 1 1 1 A 114 114 ALA N N 114 120.689 121.635 -0.946 1
1 1395 . 1 1 1 A 115 115 ILE H H 115 8.594 8.935 -0.341 1
1 1396 . 1 1 1 A 115 115 ILE HA H 115 3.534 3.658 -0.124 1
1 1406 . 1 1 1 A 115 115 ILE C C 115 178.432 178.231 0.201 1
1 1407 . 1 1 1 A 115 115 ILE CA C 115 66.016 65.509 0.507 1
1 1408 . 1 1 1 A 115 115 ILE CB C 115 38.390 37.795 0.595 1
1 1412 . 1 1 1 A 115 115 ILE N N 115 118.898 117.918 0.980 1
1 1413 . 1 1 1 A 116 116 GLN H H 116 8.732 8.652 0.080 1
1 1414 . 1 1 1 A 116 116 GLN HA H 116 3.851 4.310 -0.459 1
1 1421 . 1 1 1 A 116 116 GLN C C 116 179.655 178.350 1.305 1
1 1422 . 1 1 1 A 116 116 GLN CA C 116 59.575 59.033 0.542 1
1 1423 . 1 1 1 A 116 116 GLN CB C 116 28.222 28.526 -0.304 1
1 1425 . 1 1 1 A 116 116 GLN N N 116 119.877 119.070 0.807 1
1 1427 . 1 1 1 A 117 117 MET H H 117 8.279 8.701 -0.422 1
1 1428 . 1 1 1 A 117 117 MET HA H 117 4.155 4.052 0.103 1
1 1436 . 1 1 1 A 117 117 MET C C 117 179.123 178.020 1.103 1
1 1437 . 1 1 1 A 117 117 MET CA C 117 58.658 58.295 0.363 1
1 1438 . 1 1 1 A 117 117 MET CB C 117 31.934 32.273 -0.339 1
1 1441 . 1 1 1 A 117 117 MET N N 117 118.855 119.195 -0.340 1
1 1442 . 1 1 1 A 118 118 ALA H H 118 8.266 7.631 0.635 1
1 1443 . 1 1 1 A 118 118 ALA HA H 118 4.240 4.088 0.152 1
1 1447 . 1 1 1 A 118 118 ALA C C 118 178.820 179.534 -0.714 1
1 1448 . 1 1 1 A 118 118 ALA CA C 118 54.604 55.124 -0.520 1
1 1449 . 1 1 1 A 118 118 ALA CB C 118 18.627 18.921 -0.294 1
1 1450 . 1 1 1 A 118 118 ALA N N 118 121.702 121.821 -0.119 1
1 1451 . 1 1 1 A 119 119 SER H H 119 8.073 9.216 -1.143 1
1 1452 . 1 1 1 A 119 119 SER HA H 119 4.027 4.228 -0.201 1
1 1455 . 1 1 1 A 119 119 SER C C 119 174.663 177.191 -2.528 1
1 1456 . 1 1 1 A 119 119 SER CA C 119 60.122 61.700 -1.578 1
1 1457 . 1 1 1 A 119 119 SER CB C 119 64.299 62.535 1.764 1
1 1458 . 1 1 1 A 119 119 SER N N 119 110.080 112.880 -2.800 1
1 1459 . 1 1 1 A 120 120 ARG H H 120 7.345 8.382 -1.037 1
1 1460 . 1 1 1 A 120 120 ARG HA H 120 4.383 4.117 0.266 1
1 1467 . 1 1 1 A 120 120 ARG C C 120 176.372 176.662 -0.290 1
1 1468 . 1 1 1 A 120 120 ARG CA C 120 56.681 58.918 -2.237 1
1 1469 . 1 1 1 A 120 120 ARG CB C 120 30.248 29.879 0.369 1
1 1472 . 1 1 1 A 120 120 ARG N N 120 120.244 121.669 -1.425 1
1 1473 . 1 1 1 A 121 121 THR H H 121 8.070 8.934 -0.864 1
1 1474 . 1 1 1 A 121 121 THR HA H 121 4.365 4.311 0.054 1
1 1479 . 1 1 1 A 121 121 THR C C 121 175.281 174.304 0.977 1
1 1480 . 1 1 1 A 121 121 THR CA C 121 62.557 62.703 -0.146 1
1 1481 . 1 1 1 A 121 121 THR CB C 121 70.298 69.011 1.287 1
1 1483 . 1 1 1 A 121 121 THR N N 121 114.024 114.107 -0.083 1
1 1484 . 1 1 1 A 122 122 GLY H H 122 8.520 8.527 -0.007 1
1 1485 . 1 1 1 A 122 122 GLY HA2 H 122 4.005 4.112 -0.107 1
1 1486 . 1 1 1 A 122 122 GLY HA3 H 122 4.005 4.116 -0.111 1
1 1487 . 1 1 1 A 122 122 GLY C C 122 174.118 174.292 -0.174 1
1 1488 . 1 1 1 A 122 122 GLY CA C 122 45.351 45.363 -0.012 1
1 1489 . 1 1 1 A 122 122 GLY N N 122 111.123 110.362 0.761 1
1 1490 . 1 1 1 A 123 123 LYS H H 123 8.309 8.331 -0.022 1
1 1491 . 1 1 1 A 123 123 LYS HA H 123 4.364 4.372 -0.008 1
1 1500 . 1 1 1 A 123 123 LYS C C 123 176.772 176.077 0.695 1
1 1501 . 1 1 1 A 123 123 LYS CA C 123 56.310 57.727 -1.417 1
1 1502 . 1 1 1 A 123 123 LYS CB C 123 33.167 32.205 0.962 1
1 1506 . 1 1 1 A 123 123 LYS N N 123 121.100 119.912 1.188 1
1 1507 . 1 1 1 A 124 124 SER H H 124 8.453 8.863 -0.410 1
1 1508 . 1 1 1 A 124 124 SER HA H 124 4.489 4.119 0.370 1
1 1509 . 1 1 1 A 124 124 SER C C 124 174.518 173.768 0.750 1
1 1510 . 1 1 1 A 124 124 SER CA C 124 58.357 59.015 -0.658 1
1 1511 . 1 1 1 A 124 124 SER CB C 124 64.052 61.800 2.252 1
1 1512 . 1 1 1 A 124 124 SER N N 124 117.316 114.020 3.296 1
1 1513 . 1 1 1 A 125 125 GLY H H 125 8.278 8.280 -0.002 1
1 1514 . 1 1 1 A 125 125 GLY HA2 H 125 4.154 4.221 -0.067 1
1 1515 . 1 1 1 A 125 125 GLY HA3 H 125 4.102 4.226 -0.124 1
1 1516 . 1 1 1 A 125 125 GLY C C 125 171.827 171.707 0.120 1
1 1517 . 1 1 1 A 125 125 GLY CA C 125 44.680 45.524 -0.844 1
1 1518 . 1 1 1 A 125 125 GLY N N 125 110.670 112.312 -1.642 1
1 1519 . 1 1 1 A 126 126 PRO HA H 126 4.461 4.384 0.077 1
1 1526 . 1 1 1 A 126 126 PRO C C 126 177.426 177.167 0.259 1
1 1527 . 1 1 1 A 126 126 PRO CA C 126 63.281 62.957 0.324 1
1 1528 . 1 1 1 A 126 126 PRO CB C 126 32.263 30.617 1.646 1
1 1531 . 1 1 1 A 127 127 SER H H 127 8.556 8.544 0.012 1
1 1532 . 1 1 1 A 127 127 SER HA H 127 4.489 4.355 0.134 1
1 1535 . 1 1 1 A 127 127 SER C C 127 174.651 174.012 0.639 1
1 1536 . 1 1 1 A 127 127 SER CA C 127 58.410 59.776 -1.366 1
1 1537 . 1 1 1 A 127 127 SER CB C 127 63.682 63.278 0.404 1
1 1538 . 1 1 1 A 127 127 SER N N 127 116.423 120.032 -3.609 1
1 1539 . 1 1 1 A 128 128 SER H H 128 8.313 8.532 -0.219 1
1 1540 . 1 1 1 A 128 128 SER HA H 128 4.489 4.154 0.335 1
1 1543 . 1 1 1 A 128 128 SER C C 128 173.936 174.171 -0.235 1
1 1544 . 1 1 1 A 128 128 SER CA C 128 58.393 59.275 -0.882 1
1 1545 . 1 1 1 A 128 128 SER CB C 128 64.052 61.887 2.165 1
1 1546 . 1 1 1 A 128 128 SER N N 128 117.750 115.058 2.692 1
1 1 . 2 1 1 A 6 6 SER HA H 6 4.475 4.535 -0.060 1
1 4 . 2 1 1 A 6 6 SER C C 6 174.978 174.837 0.141 1
1 5 . 2 1 1 A 6 6 SER CA C 6 58.657 58.993 -0.336 1
1 6 . 2 1 1 A 6 6 SER CB C 6 63.682 63.669 0.013 1
1 7 . 2 1 1 A 7 7 GLY H H 7 8.385 7.414 0.971 1
1 8 . 2 1 1 A 7 7 GLY HA2 H 7 3.947 4.171 -0.224 1
1 9 . 2 1 1 A 7 7 GLY HA3 H 7 3.947 4.173 -0.226 1
1 10 . 2 1 1 A 7 7 GLY C C 7 173.900 172.592 1.308 1
1 11 . 2 1 1 A 7 7 GLY CA C 7 45.280 45.770 -0.490 1
1 12 . 2 1 1 A 7 7 GLY N N 7 110.753 107.572 3.181 1
1 13 . 2 1 1 A 8 8 VAL H H 8 7.896 8.136 -0.240 1
1 14 . 2 1 1 A 8 8 VAL HA H 8 4.046 4.687 -0.641 1
1 22 . 2 1 1 A 8 8 VAL C C 8 175.948 175.355 0.593 1
1 23 . 2 1 1 A 8 8 VAL CA C 8 62.399 60.355 2.044 1
1 24 . 2 1 1 A 8 8 VAL CB C 8 32.904 35.747 -2.843 1
1 27 . 2 1 1 A 8 8 VAL N N 8 119.771 119.145 0.626 1
1 28 . 2 1 1 A 9 9 ILE H H 9 8.253 8.696 -0.443 1
1 29 . 2 1 1 A 9 9 ILE HA H 9 4.103 4.104 -0.001 1
1 39 . 2 1 1 A 9 9 ILE C C 9 175.984 175.403 0.581 1
1 40 . 2 1 1 A 9 9 ILE CA C 9 60.657 62.203 -1.546 1
1 41 . 2 1 1 A 9 9 ILE CB C 9 38.349 38.137 0.212 1
1 45 . 2 1 1 A 9 9 ILE N N 9 125.791 126.387 -0.596 1
1 46 . 2 1 1 A 10 10 LEU H H 10 8.374 8.627 -0.253 1
1 47 . 2 1 1 A 10 10 LEU HA H 10 4.379 5.121 -0.742 1
1 57 . 2 1 1 A 10 10 LEU C C 10 177.171 176.314 0.857 1
1 58 . 2 1 1 A 10 10 LEU CA C 10 54.598 53.342 1.256 1
1 59 . 2 1 1 A 10 10 LEU CB C 10 42.873 45.488 -2.615 1
1 63 . 2 1 1 A 10 10 LEU N N 10 127.929 127.216 0.713 1
1 64 . 2 1 1 A 11 11 LYS H H 11 8.414 8.709 -0.295 1
1 65 . 2 1 1 A 11 11 LYS HA H 11 4.214 4.382 -0.168 1
1 74 . 2 1 1 A 11 11 LYS C C 11 177.244 176.511 0.733 1
1 75 . 2 1 1 A 11 11 LYS CA C 11 57.051 56.056 0.995 1
1 76 . 2 1 1 A 11 11 LYS CB C 11 33.332 33.298 0.034 1
1 80 . 2 1 1 A 11 11 LYS N N 11 123.211 126.753 -3.542 1
1 81 . 2 1 1 A 12 12 GLU H H 12 8.629 8.657 -0.028 1
1 82 . 2 1 1 A 12 12 GLU HA H 12 3.745 4.579 -0.834 1
1 87 . 2 1 1 A 12 12 GLU C C 12 177.366 178.737 -1.371 1
1 88 . 2 1 1 A 12 12 GLU CA C 12 59.663 57.216 2.447 1
1 89 . 2 1 1 A 12 12 GLU CB C 12 29.672 31.129 -1.457 1
1 91 . 2 1 1 A 12 12 GLU N N 12 122.998 120.983 2.015 1
1 92 . 2 1 1 A 13 13 GLU H H 13 8.043 8.277 -0.234 1
1 93 . 2 1 1 A 13 13 GLU HA H 13 3.333 4.155 -0.822 1
1 98 . 2 1 1 A 13 13 GLU C C 13 175.451 176.931 -1.480 1
1 99 . 2 1 1 A 13 13 GLU CA C 13 57.634 58.266 -0.632 1
1 100 . 2 1 1 A 13 13 GLU CB C 13 28.567 27.889 0.678 1
1 102 . 2 1 1 A 13 13 GLU N N 13 113.498 119.223 -5.725 1
1 103 . 2 1 1 A 14 14 PHE H H 14 7.483 7.919 -0.436 1
1 104 . 2 1 1 A 14 14 PHE HA H 14 4.650 4.805 -0.155 1
1 112 . 2 1 1 A 14 14 PHE C C 14 175.657 176.052 -0.395 1
1 113 . 2 1 1 A 14 14 PHE CA C 14 56.187 57.239 -1.052 1
1 114 . 2 1 1 A 14 14 PHE CB C 14 39.665 38.768 0.897 1
1 120 . 2 1 1 A 14 14 PHE N N 14 115.879 118.409 -2.530 1
1 121 . 2 1 1 A 15 15 ARG H H 15 7.757 8.056 -0.299 1
1 122 . 2 1 1 A 15 15 ARG HA H 15 4.154 4.515 -0.361 1
1 129 . 2 1 1 A 15 15 ARG C C 15 177.353 175.265 2.088 1
1 130 . 2 1 1 A 15 15 ARG CA C 15 58.092 55.865 2.227 1
1 131 . 2 1 1 A 15 15 ARG CB C 15 31.193 28.483 2.710 1
1 134 . 2 1 1 A 15 15 ARG N N 15 118.945 119.981 -1.036 1
1 135 . 2 1 1 A 16 16 GLY H H 16 8.812 7.963 0.849 1
1 136 . 2 1 1 A 16 16 GLY HA2 H 16 4.194 4.185 0.009 1
1 137 . 2 1 1 A 16 16 GLY HA3 H 16 3.824 4.212 -0.388 1
1 138 . 2 1 1 A 16 16 GLY C C 16 173.427 171.974 1.453 1
1 139 . 2 1 1 A 16 16 GLY CA C 16 45.157 45.512 -0.355 1
1 140 . 2 1 1 A 16 16 GLY N N 16 109.133 107.865 1.268 1
1 141 . 2 1 1 A 17 17 VAL H H 17 8.308 8.495 -0.187 1
1 142 . 2 1 1 A 17 17 VAL HA H 17 4.060 4.936 -0.876 1
1 150 . 2 1 1 A 17 17 VAL C C 17 176.469 174.290 2.179 1
1 151 . 2 1 1 A 17 17 VAL CA C 17 62.098 59.321 2.777 1
1 152 . 2 1 1 A 17 17 VAL CB C 17 33.414 34.843 -1.429 1
1 155 . 2 1 1 A 17 17 VAL N N 17 120.815 118.806 2.009 1
1 156 . 2 1 1 A 18 18 ILE H H 18 8.547 8.929 -0.382 1
1 157 . 2 1 1 A 18 18 ILE HA H 18 4.186 4.424 -0.238 1
1 167 . 2 1 1 A 18 18 ILE C C 18 177.208 176.767 0.441 1
1 168 . 2 1 1 A 18 18 ILE CA C 18 63.175 61.206 1.969 1
1 169 . 2 1 1 A 18 18 ILE CB C 18 38.596 38.697 -0.101 1
1 173 . 2 1 1 A 18 18 ILE N N 18 125.006 124.253 0.753 1
1 174 . 2 1 1 A 19 19 ILE H H 19 9.127 8.673 0.454 1
1 175 . 2 1 1 A 19 19 ILE HA H 19 4.461 4.479 -0.018 1
1 185 . 2 1 1 A 19 19 ILE C C 19 176.081 175.905 0.176 1
1 186 . 2 1 1 A 19 19 ILE CA C 19 60.298 61.151 -0.853 1
1 187 . 2 1 1 A 19 19 ILE CB C 19 39.665 39.468 0.197 1
1 191 . 2 1 1 A 19 19 ILE N N 19 124.358 120.117 4.241 1
1 192 . 2 1 1 A 20 20 LYS H H 20 7.620 7.602 0.018 1
1 193 . 2 1 1 A 20 20 LYS HA H 20 4.325 4.591 -0.266 1
1 202 . 2 1 1 A 20 20 LYS C C 20 172.760 174.163 -1.403 1
1 203 . 2 1 1 A 20 20 LYS CA C 20 57.298 55.574 1.724 1
1 204 . 2 1 1 A 20 20 LYS CB C 20 36.458 35.932 0.526 1
1 208 . 2 1 1 A 20 20 LYS N N 20 121.749 121.147 0.602 1
1 209 . 2 1 1 A 21 21 GLN H H 21 8.572 8.585 -0.013 1
1 210 . 2 1 1 A 21 21 GLN HA H 21 5.927 5.332 0.595 1
1 217 . 2 1 1 A 21 21 GLN C C 21 175.124 174.801 0.323 1
1 218 . 2 1 1 A 21 21 GLN CA C 21 54.227 54.759 -0.532 1
1 219 . 2 1 1 A 21 21 GLN CB C 21 33.369 33.589 -0.220 1
1 221 . 2 1 1 A 21 21 GLN N N 21 121.653 124.352 -2.699 1
1 223 . 2 1 1 A 22 22 GLY H H 22 9.178 8.244 0.934 1
1 224 . 2 1 1 A 22 22 GLY HA2 H 22 4.904 4.317 0.587 1
1 225 . 2 1 1 A 22 22 GLY HA3 H 22 4.447 4.402 0.045 1
1 226 . 2 1 1 A 22 22 GLY C C 22 172.300 171.827 0.473 1
1 227 . 2 1 1 A 22 22 GLY CA C 22 45.650 45.489 0.161 1
1 228 . 2 1 1 A 22 22 GLY N N 22 108.544 108.462 0.082 1
1 229 . 2 1 1 A 23 23 CYS H H 23 9.262 8.342 0.920 1
1 230 . 2 1 1 A 23 23 CYS HA H 23 5.904 5.549 0.355 1
1 233 . 2 1 1 A 23 23 CYS C C 23 175.293 174.069 1.224 1
1 234 . 2 1 1 A 23 23 CYS CA C 23 59.222 58.571 0.651 1
1 235 . 2 1 1 A 23 23 CYS CB C 23 29.260 29.326 -0.066 1
1 236 . 2 1 1 A 23 23 CYS N N 23 118.575 120.074 -1.499 1
1 237 . 2 1 1 A 24 24 LEU H H 24 9.131 10.030 -0.899 1
1 238 . 2 1 1 A 24 24 LEU HA H 24 4.627 5.082 -0.455 1
1 248 . 2 1 1 A 24 24 LEU C C 24 175.354 175.553 -0.199 1
1 249 . 2 1 1 A 24 24 LEU CA C 24 53.963 53.732 0.231 1
1 250 . 2 1 1 A 24 24 LEU CB C 24 47.315 46.352 0.963 1
1 254 . 2 1 1 A 24 24 LEU N N 24 122.880 122.923 -0.043 1
1 255 . 2 1 1 A 25 25 LEU H H 25 7.968 8.985 -1.017 1
1 256 . 2 1 1 A 25 25 LEU HA H 25 5.056 5.191 -0.135 1
1 266 . 2 1 1 A 25 25 LEU C C 25 175.766 175.155 0.611 1
1 267 . 2 1 1 A 25 25 LEU CA C 25 54.810 54.348 0.462 1
1 268 . 2 1 1 A 25 25 LEU CB C 25 44.065 42.313 1.752 1
1 272 . 2 1 1 A 25 25 LEU N N 25 119.755 122.376 -2.621 1
1 273 . 2 1 1 A 26 26 LYS H H 26 9.307 8.615 0.692 1
1 274 . 2 1 1 A 26 26 LYS HA H 26 5.166 4.669 0.497 1
1 283 . 2 1 1 A 26 26 LYS C C 26 175.778 176.215 -0.437 1
1 284 . 2 1 1 A 26 26 LYS CA C 26 54.687 55.953 -1.266 1
1 285 . 2 1 1 A 26 26 LYS CB C 26 37.033 33.398 3.635 1
1 289 . 2 1 1 A 26 26 LYS N N 26 122.635 126.043 -3.408 1
1 290 . 2 1 1 A 27 27 GLN H H 27 8.228 8.211 0.017 1
1 291 . 2 1 1 A 27 27 GLN HA H 27 3.839 3.092 0.747 1
1 298 . 2 1 1 A 27 27 GLN C C 27 176.869 175.647 1.222 1
1 299 . 2 1 1 A 27 27 GLN CA C 27 55.922 57.258 -1.336 1
1 300 . 2 1 1 A 27 27 GLN CB C 27 29.589 28.855 0.734 1
1 302 . 2 1 1 A 27 27 GLN N N 27 132.145 127.006 5.139 1
1 304 . 2 1 1 A 28 28 GLY H H 28 8.434 8.039 0.395 1
1 305 . 2 1 1 A 28 28 GLY HA2 H 28 4.144 4.059 0.085 1
1 306 . 2 1 1 A 28 28 GLY HA3 H 28 3.999 4.120 -0.121 1
1 307 . 2 1 1 A 28 28 GLY CA C 28 45.457 45.382 0.075 1
1 308 . 2 1 1 A 28 28 GLY N N 28 114.691 109.657 5.034 1
1 309 . 2 1 1 A 29 29 HIS HA H 29 4.352 4.442 -0.090 1
1 314 . 2 1 1 A 29 29 HIS CA C 29 58.505 55.418 3.087 1
1 315 . 2 1 1 A 29 29 HIS CB C 29 30.967 28.771 2.196 1
1 318 . 2 1 1 A 30 30 ARG HA H 30 4.114 4.532 -0.418 1
1 325 . 2 1 1 A 30 30 ARG CA C 30 56.429 56.999 -0.570 1
1 326 . 2 1 1 A 30 30 ARG CB C 30 29.591 32.442 -2.851 1
1 329 . 2 1 1 A 31 31 ARG HA H 31 3.774 4.584 -0.810 1
1 336 . 2 1 1 A 31 31 ARG C C 31 175.536 175.287 0.249 1
1 337 . 2 1 1 A 31 31 ARG CA C 31 55.922 57.384 -1.462 1
1 338 . 2 1 1 A 31 31 ARG CB C 31 29.302 32.970 -3.668 1
1 341 . 2 1 1 A 32 32 LYS H H 32 8.011 8.223 -0.212 1
1 342 . 2 1 1 A 32 32 LYS HA H 32 4.164 4.709 -0.545 1
1 351 . 2 1 1 A 32 32 LYS C C 32 175.741 176.296 -0.555 1
1 352 . 2 1 1 A 32 32 LYS CA C 32 56.239 54.245 1.994 1
1 353 . 2 1 1 A 32 32 LYS CB C 32 32.016 34.049 -2.033 1
1 357 . 2 1 1 A 32 32 LYS N N 32 117.463 119.213 -1.750 1
1 358 . 2 1 1 A 33 33 ASN H H 33 7.870 8.543 -0.673 1
1 359 . 2 1 1 A 33 33 ASN HA H 33 4.807 4.863 -0.056 1
1 364 . 2 1 1 A 33 33 ASN C C 33 173.681 175.708 -2.027 1
1 365 . 2 1 1 A 33 33 ASN CA C 33 52.551 53.559 -1.008 1
1 366 . 2 1 1 A 33 33 ASN CB C 33 39.830 39.773 0.057 1
1 367 . 2 1 1 A 33 33 ASN N N 33 117.522 118.157 -0.635 1
1 369 . 2 1 1 A 34 34 TRP H H 34 8.704 8.673 0.031 1
1 370 . 2 1 1 A 34 34 TRP HA H 34 4.807 4.799 0.008 1
1 379 . 2 1 1 A 34 34 TRP C C 34 176.129 175.957 0.172 1
1 380 . 2 1 1 A 34 34 TRP CA C 34 56.540 57.858 -1.318 1
1 381 . 2 1 1 A 34 34 TRP CB C 34 31.399 29.841 1.558 1
1 387 . 2 1 1 A 34 34 TRP N N 34 121.620 120.958 0.662 1
1 389 . 2 1 1 A 35 35 LYS H H 35 8.457 8.896 -0.439 1
1 390 . 2 1 1 A 35 35 LYS HA H 35 4.876 4.907 -0.031 1
1 399 . 2 1 1 A 35 35 LYS C C 35 176.081 175.717 0.364 1
1 400 . 2 1 1 A 35 35 LYS CA C 35 54.298 55.140 -0.842 1
1 401 . 2 1 1 A 35 35 LYS CB C 35 36.498 35.764 0.734 1
1 405 . 2 1 1 A 35 35 LYS N N 35 120.816 119.350 1.466 1
1 406 . 2 1 1 A 36 36 VAL H H 36 8.974 8.785 0.189 1
1 407 . 2 1 1 A 36 36 VAL HA H 36 4.254 4.562 -0.308 1
1 415 . 2 1 1 A 36 36 VAL C C 36 176.808 176.043 0.765 1
1 416 . 2 1 1 A 36 36 VAL CA C 36 63.828 63.205 0.623 1
1 417 . 2 1 1 A 36 36 VAL CB C 36 31.687 32.072 -0.385 1
1 420 . 2 1 1 A 36 36 VAL N N 36 123.825 125.092 -1.267 1
1 421 . 2 1 1 A 37 37 ARG H H 37 9.327 9.374 -0.047 1
1 422 . 2 1 1 A 37 37 ARG HA H 37 4.930 4.846 0.084 1
1 427 . 2 1 1 A 37 37 ARG C C 37 173.815 174.083 -0.268 1
1 428 . 2 1 1 A 37 37 ARG CA C 37 54.351 54.730 -0.379 1
1 429 . 2 1 1 A 37 37 ARG CB C 37 34.709 34.446 0.263 1
1 432 . 2 1 1 A 37 37 ARG N N 37 128.926 126.838 2.088 1
1 433 . 2 1 1 A 38 38 LYS H H 38 8.714 8.325 0.389 1
1 434 . 2 1 1 A 38 38 LYS HA H 38 4.959 4.968 -0.009 1
1 443 . 2 1 1 A 38 38 LYS C C 38 175.075 175.125 -0.050 1
1 444 . 2 1 1 A 38 38 LYS CA C 38 55.869 55.829 0.040 1
1 445 . 2 1 1 A 38 38 LYS CB C 38 34.072 33.845 0.227 1
1 449 . 2 1 1 A 38 38 LYS N N 38 121.669 124.455 -2.786 1
1 450 . 2 1 1 A 39 39 PHE H H 39 9.751 9.838 -0.087 1
1 451 . 2 1 1 A 39 39 PHE HA H 39 5.591 5.225 0.366 1
1 459 . 2 1 1 A 39 39 PHE C C 39 175.414 174.846 0.568 1
1 460 . 2 1 1 A 39 39 PHE CA C 39 57.474 56.945 0.529 1
1 461 . 2 1 1 A 39 39 PHE CB C 39 42.667 41.688 0.979 1
1 467 . 2 1 1 A 39 39 PHE N N 39 127.216 125.193 2.023 1
1 468 . 2 1 1 A 40 40 ILE H H 40 9.246 10.330 -1.084 1
1 469 . 2 1 1 A 40 40 ILE HA H 40 4.864 5.205 -0.341 1
1 479 . 2 1 1 A 40 40 ILE C C 40 174.724 174.287 0.437 1
1 480 . 2 1 1 A 40 40 ILE CA C 40 62.134 60.054 2.080 1
1 481 . 2 1 1 A 40 40 ILE CB C 40 41.022 40.369 0.653 1
1 485 . 2 1 1 A 40 40 ILE N N 40 119.337 123.745 -4.408 1
1 486 . 2 1 1 A 41 41 LEU H H 41 9.549 9.193 0.356 1
1 487 . 2 1 1 A 41 41 LEU HA H 41 5.485 5.355 0.130 1
1 497 . 2 1 1 A 41 41 LEU C C 41 174.457 175.231 -0.774 1
1 498 . 2 1 1 A 41 41 LEU CA C 41 54.004 53.753 0.251 1
1 499 . 2 1 1 A 41 41 LEU CB C 41 45.299 45.331 -0.032 1
1 503 . 2 1 1 A 41 41 LEU N N 41 132.451 131.076 1.375 1
1 504 . 2 1 1 A 42 42 ARG H H 42 9.383 9.088 0.295 1
1 505 . 2 1 1 A 42 42 ARG HA H 42 5.492 5.321 0.171 1
1 513 . 2 1 1 A 42 42 ARG C C 42 174.893 175.279 -0.386 1
1 514 . 2 1 1 A 42 42 ARG CA C 42 54.421 54.674 -0.253 1
1 515 . 2 1 1 A 42 42 ARG CB C 42 35.470 33.689 1.781 1
1 518 . 2 1 1 A 42 42 ARG N N 42 128.467 124.791 3.676 1
1 520 . 2 1 1 A 43 43 GLU H H 43 8.259 8.621 -0.362 1
1 521 . 2 1 1 A 43 43 GLU HA H 43 4.366 4.753 -0.387 1
1 526 . 2 1 1 A 43 43 GLU C C 43 174.893 175.629 -0.736 1
1 527 . 2 1 1 A 43 43 GLU CA C 43 54.898 55.774 -0.876 1
1 528 . 2 1 1 A 43 43 GLU CB C 43 33.102 30.966 2.136 1
1 530 . 2 1 1 A 43 43 GLU N N 43 115.434 121.080 -5.646 1
1 531 . 2 1 1 A 44 44 ASP H H 44 7.870 8.801 -0.931 1
1 532 . 2 1 1 A 44 44 ASP HA H 44 4.433 4.136 0.297 1
1 535 . 2 1 1 A 44 44 ASP C C 44 172.991 174.518 -1.527 1
1 536 . 2 1 1 A 44 44 ASP CA C 44 53.892 54.771 -0.879 1
1 537 . 2 1 1 A 44 44 ASP CB C 44 41.146 39.446 1.700 1
1 538 . 2 1 1 A 44 44 ASP N N 44 114.444 118.000 -3.556 1
1 539 . 2 1 1 A 45 45 PRO HA H 45 4.710 4.571 0.139 1
1 546 . 2 1 1 A 45 45 PRO C C 45 176.747 175.469 1.278 1
1 547 . 2 1 1 A 45 45 PRO CA C 45 63.246 62.622 0.624 1
1 548 . 2 1 1 A 45 45 PRO CB C 45 34.977 32.687 2.290 1
1 551 . 2 1 1 A 46 46 ALA H H 46 8.356 8.173 0.183 1
1 552 . 2 1 1 A 46 46 ALA HA H 46 5.049 4.737 0.312 1
1 556 . 2 1 1 A 46 46 ALA C C 46 175.499 176.290 -0.791 1
1 557 . 2 1 1 A 46 46 ALA CA C 46 51.545 50.623 0.922 1
1 558 . 2 1 1 A 46 46 ALA CB C 46 19.655 19.375 0.280 1
1 559 . 2 1 1 A 46 46 ALA N N 46 122.969 123.565 -0.596 1
1 560 . 2 1 1 A 47 47 TYR H H 47 8.047 9.105 -1.058 1
1 561 . 2 1 1 A 47 47 TYR HA H 47 5.097 5.124 -0.027 1
1 568 . 2 1 1 A 47 47 TYR C C 47 173.730 174.508 -0.778 1
1 569 . 2 1 1 A 47 47 TYR CA C 47 57.563 56.453 1.110 1
1 570 . 2 1 1 A 47 47 TYR CB C 47 45.711 43.590 2.121 1
1 575 . 2 1 1 A 47 47 TYR N N 47 126.550 120.890 5.660 1
1 576 . 2 1 1 A 48 48 LEU H H 48 8.776 8.786 -0.010 1
1 577 . 2 1 1 A 48 48 LEU HA H 48 5.578 5.283 0.295 1
1 587 . 2 1 1 A 48 48 LEU C C 48 175.039 174.457 0.582 1
1 588 . 2 1 1 A 48 48 LEU CA C 48 53.134 54.055 -0.921 1
1 589 . 2 1 1 A 48 48 LEU CB C 48 46.369 45.389 0.980 1
1 593 . 2 1 1 A 48 48 LEU N N 48 120.864 122.044 -1.180 1
1 594 . 2 1 1 A 49 49 HIS H H 49 8.974 9.320 -0.346 1
1 595 . 2 1 1 A 49 49 HIS HA H 49 5.181 5.233 -0.052 1
1 600 . 2 1 1 A 49 49 HIS C C 49 174.712 173.898 0.814 1
1 601 . 2 1 1 A 49 49 HIS CA C 49 57.916 53.646 4.270 1
1 602 . 2 1 1 A 49 49 HIS CB C 49 35.347 32.160 3.187 1
1 605 . 2 1 1 A 49 49 HIS N N 49 124.417 126.238 -1.821 1
1 606 . 2 1 1 A 50 50 TYR H H 50 7.348 7.576 -0.228 1
1 607 . 2 1 1 A 50 50 TYR HA H 50 5.909 5.754 0.155 1
1 614 . 2 1 1 A 50 50 TYR C C 50 174.239 173.809 0.430 1
1 615 . 2 1 1 A 50 50 TYR CA C 50 53.610 55.149 -1.539 1
1 616 . 2 1 1 A 50 50 TYR CB C 50 40.077 40.441 -0.364 1
1 621 . 2 1 1 A 50 50 TYR N N 50 114.323 119.513 -5.190 1
1 622 . 2 1 1 A 51 51 TYR H H 51 9.230 9.184 0.046 1
1 623 . 2 1 1 A 51 51 TYR HA H 51 4.555 4.891 -0.336 1
1 630 . 2 1 1 A 51 51 TYR C C 51 175.572 175.165 0.407 1
1 631 . 2 1 1 A 51 51 TYR CA C 51 57.175 56.554 0.621 1
1 632 . 2 1 1 A 51 51 TYR CB C 51 42.709 40.988 1.721 1
1 637 . 2 1 1 A 51 51 TYR N N 51 117.695 122.675 -4.980 1
1 638 . 2 1 1 A 52 52 ASP H H 52 9.390 8.523 0.867 1
1 639 . 2 1 1 A 52 52 ASP HA H 52 4.937 4.748 0.189 1
1 642 . 2 1 1 A 52 52 ASP CA C 52 52.057 52.170 -0.113 1
1 643 . 2 1 1 A 52 52 ASP CB C 52 42.197 41.828 0.369 1
1 644 . 2 1 1 A 52 52 ASP N N 52 123.964 124.374 -0.410 1
1 645 . 2 1 1 A 53 53 PRO HA H 53 4.274 4.397 -0.123 1
1 652 . 2 1 1 A 53 53 PRO C C 53 176.360 178.409 -2.049 1
1 653 . 2 1 1 A 53 53 PRO CA C 53 64.728 65.680 -0.952 1
1 654 . 2 1 1 A 53 53 PRO CB C 53 32.016 32.002 0.014 1
1 657 . 2 1 1 A 54 54 ALA H H 54 8.384 8.361 0.023 1
1 658 . 2 1 1 A 54 54 ALA HA H 54 4.492 4.141 0.351 1
1 662 . 2 1 1 A 54 54 ALA C C 54 177.620 177.724 -0.104 1
1 663 . 2 1 1 A 54 54 ALA CA C 54 52.022 53.928 -1.906 1
1 664 . 2 1 1 A 54 54 ALA CB C 54 19.202 19.462 -0.260 1
1 665 . 2 1 1 A 54 54 ALA N N 54 120.140 119.179 0.961 1
1 666 . 2 1 1 A 55 55 GLY H H 55 7.710 7.950 -0.240 1
1 667 . 2 1 1 A 55 55 GLY HA2 H 55 4.194 4.020 0.174 1
1 668 . 2 1 1 A 55 55 GLY HA3 H 55 3.833 4.020 -0.187 1
1 669 . 2 1 1 A 55 55 GLY C C 55 173.524 171.437 2.087 1
1 670 . 2 1 1 A 55 55 GLY CA C 55 45.421 45.410 0.011 1
1 671 . 2 1 1 A 55 55 GLY N N 55 107.828 103.296 4.532 1
1 672 . 2 1 1 A 56 56 ALA H H 56 8.339 8.375 -0.036 1
1 673 . 2 1 1 A 56 56 ALA HA H 56 4.378 4.782 -0.404 1
1 677 . 2 1 1 A 56 56 ALA C C 56 177.741 176.279 1.462 1
1 678 . 2 1 1 A 56 56 ALA CA C 56 52.410 51.593 0.817 1
1 679 . 2 1 1 A 56 56 ALA CB C 56 19.843 22.827 -2.984 1
1 680 . 2 1 1 A 56 56 ALA N N 56 125.269 122.247 3.022 1
1 681 . 2 1 1 A 57 57 GLU H H 57 8.567 9.040 -0.473 1
1 682 . 2 1 1 A 57 57 GLU HA H 57 4.160 4.464 -0.304 1
1 687 . 2 1 1 A 57 57 GLU C C 57 176.335 175.767 0.568 1
1 688 . 2 1 1 A 57 57 GLU CA C 57 57.616 57.931 -0.315 1
1 689 . 2 1 1 A 57 57 GLU CB C 57 30.083 32.415 -2.332 1
1 691 . 2 1 1 A 57 57 GLU N N 57 119.341 118.476 0.865 1
1 692 . 2 1 1 A 58 58 ASP H H 58 7.718 7.935 -0.217 1
1 693 . 2 1 1 A 58 58 ASP HA H 58 5.010 4.855 0.155 1
1 696 . 2 1 1 A 58 58 ASP C C 58 173.209 175.284 -2.075 1
1 697 . 2 1 1 A 58 58 ASP CA C 58 52.128 52.416 -0.288 1
1 698 . 2 1 1 A 58 58 ASP CB C 58 40.981 41.458 -0.477 1
1 699 . 2 1 1 A 58 58 ASP N N 58 118.499 116.763 1.736 1
1 700 . 2 1 1 A 59 59 PRO HA H 59 3.493 4.178 -0.685 1
1 707 . 2 1 1 A 59 59 PRO C C 59 177.111 177.826 -0.715 1
1 708 . 2 1 1 A 59 59 PRO CA C 59 63.069 62.172 0.897 1
1 709 . 2 1 1 A 59 59 PRO CB C 59 31.229 31.798 -0.569 1
1 712 . 2 1 1 A 60 60 LEU H H 60 8.770 8.449 0.321 1
1 713 . 2 1 1 A 60 60 LEU HA H 60 4.114 3.945 0.169 1
1 723 . 2 1 1 A 60 60 LEU C C 60 177.268 176.471 0.797 1
1 724 . 2 1 1 A 60 60 LEU CA C 60 55.181 56.937 -1.756 1
1 725 . 2 1 1 A 60 60 LEU CB C 60 42.750 42.272 0.478 1
1 729 . 2 1 1 A 60 60 LEU N N 60 121.907 120.754 1.153 1
1 730 . 2 1 1 A 61 61 GLY H H 61 6.472 6.483 -0.011 1
1 731 . 2 1 1 A 61 61 GLY HA2 H 61 3.798 3.885 -0.087 1
1 732 . 2 1 1 A 61 61 GLY HA3 H 61 3.382 3.902 -0.520 1
1 733 . 2 1 1 A 61 61 GLY C C 61 169.367 170.604 -1.237 1
1 734 . 2 1 1 A 61 61 GLY CA C 61 45.033 45.344 -0.311 1
1 735 . 2 1 1 A 61 61 GLY N N 61 103.740 103.475 0.265 1
1 736 . 2 1 1 A 62 62 ALA H H 62 8.024 8.454 -0.430 1
1 737 . 2 1 1 A 62 62 ALA HA H 62 4.644 5.236 -0.592 1
1 741 . 2 1 1 A 62 62 ALA C C 62 176.226 175.466 0.760 1
1 742 . 2 1 1 A 62 62 ALA CA C 62 50.839 50.728 0.111 1
1 743 . 2 1 1 A 62 62 ALA CB C 62 23.914 23.208 0.706 1
1 744 . 2 1 1 A 62 62 ALA N N 62 120.249 121.751 -1.502 1
1 745 . 2 1 1 A 63 63 ILE H H 63 8.810 8.478 0.332 1
1 746 . 2 1 1 A 63 63 ILE HA H 63 4.119 4.729 -0.610 1
1 756 . 2 1 1 A 63 63 ILE C C 63 174.724 175.397 -0.673 1
1 757 . 2 1 1 A 63 63 ILE CA C 63 60.757 60.336 0.421 1
1 758 . 2 1 1 A 63 63 ILE CB C 63 40.319 40.666 -0.347 1
1 762 . 2 1 1 A 63 63 ILE N N 63 122.110 119.206 2.904 1
1 763 . 2 1 1 A 64 64 HIS H H 64 9.073 9.095 -0.022 1
1 764 . 2 1 1 A 64 64 HIS HA H 64 3.948 4.377 -0.429 1
1 769 . 2 1 1 A 64 64 HIS C C 64 176.529 175.221 1.308 1
1 770 . 2 1 1 A 64 64 HIS CA C 64 54.951 57.647 -2.696 1
1 771 . 2 1 1 A 64 64 HIS CB C 64 30.494 30.692 -0.198 1
1 774 . 2 1 1 A 64 64 HIS N N 64 129.092 127.842 1.250 1
1 775 . 2 1 1 A 65 65 LEU H H 65 7.770 7.504 0.266 1
1 776 . 2 1 1 A 65 65 LEU HA H 65 4.074 4.278 -0.204 1
1 786 . 2 1 1 A 65 65 LEU C C 65 176.808 177.866 -1.058 1
1 787 . 2 1 1 A 65 65 LEU CA C 65 54.951 55.069 -0.118 1
1 788 . 2 1 1 A 65 65 LEU CB C 65 42.667 42.743 -0.076 1
1 792 . 2 1 1 A 65 65 LEU N N 65 124.760 127.960 -3.200 1
1 793 . 2 1 1 A 66 66 ARG H H 66 6.515 7.397 -0.882 1
1 794 . 2 1 1 A 66 66 ARG HA H 66 4.085 3.809 0.276 1
1 801 . 2 1 1 A 66 66 ARG C C 66 178.638 177.310 1.328 1
1 802 . 2 1 1 A 66 66 ARG CA C 66 58.092 58.602 -0.510 1
1 803 . 2 1 1 A 66 66 ARG CB C 66 29.525 29.487 0.038 1
1 806 . 2 1 1 A 66 66 ARG N N 66 120.462 118.177 2.285 1
1 807 . 2 1 1 A 67 67 GLY H H 67 9.300 7.795 1.505 1
1 808 . 2 1 1 A 67 67 GLY HA2 H 67 4.045 4.043 0.002 1
1 809 . 2 1 1 A 67 67 GLY HA3 H 67 3.826 4.098 -0.272 1
1 810 . 2 1 1 A 67 67 GLY C C 67 173.996 174.071 -0.075 1
1 811 . 2 1 1 A 67 67 GLY CA C 67 46.162 46.006 0.156 1
1 812 . 2 1 1 A 67 67 GLY N N 67 118.040 106.422 11.618 1
1 813 . 2 1 1 A 68 68 CYS H H 68 7.789 7.918 -0.129 1
1 814 . 2 1 1 A 68 68 CYS HA H 68 4.779 5.217 -0.438 1
1 817 . 2 1 1 A 68 68 CYS C C 68 173.148 173.308 -0.160 1
1 818 . 2 1 1 A 68 68 CYS CA C 68 57.545 56.514 1.031 1
1 819 . 2 1 1 A 68 68 CYS CB C 68 28.644 30.609 -1.965 1
1 820 . 2 1 1 A 68 68 CYS N N 68 116.032 117.563 -1.531 1
1 821 . 2 1 1 A 69 69 VAL H H 69 8.665 10.003 -1.338 1
1 822 . 2 1 1 A 69 69 VAL HA H 69 4.364 4.800 -0.436 1
1 830 . 2 1 1 A 69 69 VAL C C 69 174.154 174.980 -0.826 1
1 831 . 2 1 1 A 69 69 VAL CA C 69 61.464 60.614 0.850 1
1 832 . 2 1 1 A 69 69 VAL CB C 69 35.041 35.858 -0.817 1
1 835 . 2 1 1 A 69 69 VAL N N 69 120.327 120.097 0.230 1
1 836 . 2 1 1 A 70 70 VAL H H 70 8.656 8.683 -0.027 1
1 837 . 2 1 1 A 70 70 VAL HA H 70 5.543 5.076 0.467 1
1 845 . 2 1 1 A 70 70 VAL C C 70 174.105 175.237 -1.132 1
1 846 . 2 1 1 A 70 70 VAL CA C 70 59.028 60.908 -1.880 1
1 847 . 2 1 1 A 70 70 VAL CB C 70 34.237 34.341 -0.104 1
1 850 . 2 1 1 A 70 70 VAL N N 70 124.719 125.531 -0.812 1
1 851 . 2 1 1 A 71 71 THR H H 71 8.883 8.634 0.249 1
1 852 . 2 1 1 A 71 71 THR HA H 71 4.724 4.765 -0.041 1
1 857 . 2 1 1 A 71 71 THR C C 71 173.087 172.081 1.006 1
1 858 . 2 1 1 A 71 71 THR CA C 71 59.875 60.646 -0.771 1
1 859 . 2 1 1 A 71 71 THR CB C 71 71.290 70.191 1.099 1
1 861 . 2 1 1 A 71 71 THR N N 71 120.107 120.175 -0.068 1
1 862 . 2 1 1 A 72 72 SER H H 72 8.706 8.787 -0.081 1
1 863 . 2 1 1 A 72 72 SER HA H 72 4.455 5.344 -0.889 1
1 866 . 2 1 1 A 72 72 SER C C 72 174.082 174.289 -0.207 1
1 867 . 2 1 1 A 72 72 SER CA C 72 59.204 57.268 1.936 1
1 868 . 2 1 1 A 72 72 SER CB C 72 63.476 65.866 -2.390 1
1 869 . 2 1 1 A 72 72 SER N N 72 120.128 119.471 0.657 1
1 870 . 2 1 1 A 73 73 VAL H H 73 7.825 8.647 -0.822 1
1 871 . 2 1 1 A 73 73 VAL HA H 73 4.302 4.438 -0.136 1
1 879 . 2 1 1 A 73 73 VAL C C 73 175.160 176.207 -1.047 1
1 880 . 2 1 1 A 73 73 VAL CA C 73 62.010 61.847 0.163 1
1 881 . 2 1 1 A 73 73 VAL CB C 73 33.579 32.922 0.657 1
1 884 . 2 1 1 A 73 73 VAL N N 73 125.377 120.460 4.917 1
1 885 . 2 1 1 A 74 74 GLU H H 74 8.706 8.576 0.130 1
1 886 . 2 1 1 A 74 74 GLU HA H 74 4.544 4.725 -0.181 1
1 891 . 2 1 1 A 74 74 GLU C C 74 176.420 176.559 -0.139 1
1 892 . 2 1 1 A 74 74 GLU CA C 74 55.622 55.420 0.202 1
1 893 . 2 1 1 A 74 74 GLU CB C 74 30.741 29.870 0.871 1
1 895 . 2 1 1 A 74 74 GLU N N 74 126.564 119.725 6.839 1
1 896 . 2 1 1 A 75 75 SER H H 75 8.639 7.531 1.108 1
1 897 . 2 1 1 A 75 75 SER HA H 75 4.447 4.365 0.082 1
1 900 . 2 1 1 A 75 75 SER C C 75 174.299 173.879 0.420 1
1 901 . 2 1 1 A 75 75 SER CA C 75 58.339 58.937 -0.598 1
1 902 . 2 1 1 A 75 75 SER CB C 75 64.170 63.396 0.774 1
1 903 . 2 1 1 A 75 75 SER N N 75 117.961 116.631 1.330 1
1 904 . 2 1 1 A 76 76 ASN H H 76 8.672 8.630 0.042 1
1 905 . 2 1 1 A 76 76 ASN HA H 76 4.795 5.414 -0.619 1
1 910 . 2 1 1 A 76 76 ASN C C 76 175.584 173.463 2.121 1
1 911 . 2 1 1 A 76 76 ASN CA C 76 53.292 53.287 0.005 1
1 912 . 2 1 1 A 76 76 ASN CB C 76 39.089 40.419 -1.330 1
1 913 . 2 1 1 A 76 76 ASN N N 76 121.138 124.759 -3.621 1
1 915 . 2 1 1 A 78 78 ASN HA H 78 4.635 5.571 -0.936 1
1 920 . 2 1 1 A 78 78 ASN C C 78 175.681 174.584 1.097 1
1 921 . 2 1 1 A 78 78 ASN CA C 78 53.610 52.599 1.011 1
1 922 . 2 1 1 A 78 78 ASN CB C 78 38.496 42.352 -3.856 1
1 924 . 2 1 1 A 79 79 GLY H H 79 8.356 8.294 0.062 1
1 925 . 2 1 1 A 79 79 GLY HA2 H 79 3.821 4.243 -0.422 1
1 926 . 2 1 1 A 79 79 GLY HA3 H 79 4.011 4.244 -0.233 1
1 927 . 2 1 1 A 79 79 GLY C C 79 174.154 174.005 0.149 1
1 928 . 2 1 1 A 79 79 GLY CA C 79 45.563 46.291 -0.728 1
1 929 . 2 1 1 A 79 79 GLY N N 79 108.284 110.167 -1.883 1
1 930 . 2 1 1 A 80 80 ARG H H 80 7.919 8.254 -0.335 1
1 931 . 2 1 1 A 80 80 ARG HA H 80 4.344 4.368 -0.024 1
1 938 . 2 1 1 A 80 80 ARG C C 80 176.117 176.437 -0.320 1
1 939 . 2 1 1 A 80 80 ARG CA C 80 55.905 57.816 -1.911 1
1 940 . 2 1 1 A 80 80 ARG CB C 80 30.782 31.350 -0.568 1
1 943 . 2 1 1 A 80 80 ARG N N 80 120.470 124.447 -3.977 1
1 944 . 2 1 1 A 81 81 LYS H H 81 8.427 7.736 0.691 1
1 945 . 2 1 1 A 81 81 LYS HA H 81 4.350 4.257 0.093 1
1 954 . 2 1 1 A 81 81 LYS C C 81 176.808 175.764 1.044 1
1 955 . 2 1 1 A 81 81 LYS CA C 81 56.416 56.064 0.352 1
1 956 . 2 1 1 A 81 81 LYS CB C 81 32.797 33.847 -1.050 1
1 960 . 2 1 1 A 81 81 LYS N N 81 122.963 118.954 4.009 1
1 961 . 2 1 1 A 82 82 SER H H 82 8.440 8.663 -0.223 1
1 962 . 2 1 1 A 82 82 SER HA H 82 4.380 5.088 -0.708 1
1 965 . 2 1 1 A 82 82 SER C C 82 174.833 174.059 0.774 1
1 966 . 2 1 1 A 82 82 SER CA C 82 58.763 57.758 1.005 1
1 967 . 2 1 1 A 82 82 SER CB C 82 63.723 64.752 -1.029 1
1 968 . 2 1 1 A 82 82 SER N N 82 118.053 116.137 1.916 1
1 969 . 2 1 1 A 83 83 GLU H H 83 8.648 8.617 0.031 1
1 970 . 2 1 1 A 83 83 GLU HA H 83 4.233 4.277 -0.044 1
1 975 . 2 1 1 A 83 83 GLU C C 83 176.311 176.591 -0.280 1
1 976 . 2 1 1 A 83 83 GLU CA C 83 57.104 58.463 -1.359 1
1 977 . 2 1 1 A 83 83 GLU CB C 83 29.795 30.410 -0.615 1
1 979 . 2 1 1 A 83 83 GLU N N 83 121.793 125.859 -4.066 1
1 980 . 2 1 1 A 84 84 GLU H H 84 8.088 7.803 0.285 1
1 981 . 2 1 1 A 84 84 GLU HA H 84 4.161 4.484 -0.323 1
1 986 . 2 1 1 A 84 84 GLU C C 84 175.523 175.315 0.208 1
1 987 . 2 1 1 A 84 84 GLU CA C 84 56.275 54.928 1.347 1
1 988 . 2 1 1 A 84 84 GLU CB C 84 30.165 32.666 -2.501 1
1 990 . 2 1 1 A 84 84 GLU N N 84 119.385 117.369 2.016 1
1 991 . 2 1 1 A 85 85 GLU H H 85 7.907 8.378 -0.471 1
1 992 . 2 1 1 A 85 85 GLU HA H 85 4.350 4.538 -0.188 1
1 997 . 2 1 1 A 85 85 GLU C C 85 175.002 176.348 -1.346 1
1 998 . 2 1 1 A 85 85 GLU CA C 85 55.569 55.612 -0.043 1
1 999 . 2 1 1 A 85 85 GLU CB C 85 32.098 31.018 1.080 1
1 1001 . 2 1 1 A 85 85 GLU N N 85 120.414 123.955 -3.541 1
1 1002 . 2 1 1 A 86 86 ASN H H 86 8.569 8.555 0.014 1
1 1003 . 2 1 1 A 86 86 ASN HA H 86 4.225 5.044 -0.819 1
1 1008 . 2 1 1 A 86 86 ASN C C 86 175.147 175.024 0.123 1
1 1009 . 2 1 1 A 86 86 ASN CA C 86 54.068 53.585 0.483 1
1 1010 . 2 1 1 A 86 86 ASN CB C 86 38.185 39.013 -0.828 1
1 1011 . 2 1 1 A 86 86 ASN N N 86 114.602 118.806 -4.204 1
1 1013 . 2 1 1 A 87 87 LEU H H 87 8.483 8.745 -0.262 1
1 1014 . 2 1 1 A 87 87 LEU HA H 87 5.186 5.335 -0.149 1
1 1024 . 2 1 1 A 87 87 LEU C C 87 178.480 175.304 3.176 1
1 1025 . 2 1 1 A 87 87 LEU CA C 87 55.128 53.403 1.725 1
1 1026 . 2 1 1 A 87 87 LEU CB C 87 44.559 46.684 -2.125 1
1 1030 . 2 1 1 A 87 87 LEU N N 87 121.334 123.764 -2.430 1
1 1031 . 2 1 1 A 88 88 PHE H H 88 9.512 8.245 1.267 1
1 1032 . 2 1 1 A 88 88 PHE HA H 88 5.156 5.095 0.061 1
1 1040 . 2 1 1 A 88 88 PHE C C 88 170.288 172.114 -1.826 1
1 1041 . 2 1 1 A 88 88 PHE CA C 88 56.787 55.880 0.907 1
1 1042 . 2 1 1 A 88 88 PHE CB C 88 41.763 41.801 -0.038 1
1 1048 . 2 1 1 A 88 88 PHE N N 88 119.324 117.583 1.741 1
1 1049 . 2 1 1 A 89 89 GLU H H 89 9.028 8.968 0.060 1
1 1050 . 2 1 1 A 89 89 GLU HA H 89 5.293 4.794 0.499 1
1 1055 . 2 1 1 A 89 89 GLU C C 89 175.245 175.024 0.221 1
1 1056 . 2 1 1 A 89 89 GLU CA C 89 53.433 55.171 -1.738 1
1 1057 . 2 1 1 A 89 89 GLU CB C 89 34.566 31.257 3.309 1
1 1059 . 2 1 1 A 89 89 GLU N N 89 121.829 121.029 0.800 1
1 1060 . 2 1 1 A 90 90 ILE H H 90 8.655 8.460 0.195 1
1 1061 . 2 1 1 A 90 90 ILE HA H 90 4.793 4.589 0.204 1
1 1071 . 2 1 1 A 90 90 ILE C C 90 174.808 174.871 -0.063 1
1 1072 . 2 1 1 A 90 90 ILE CA C 90 59.857 60.109 -0.252 1
1 1073 . 2 1 1 A 90 90 ILE CB C 90 41.886 40.160 1.726 1
1 1077 . 2 1 1 A 90 90 ILE N N 90 123.446 126.315 -2.869 1
1 1078 . 2 1 1 A 91 91 ILE H H 91 9.199 8.776 0.423 1
1 1079 . 2 1 1 A 91 91 ILE HA H 91 4.724 4.836 -0.112 1
1 1089 . 2 1 1 A 91 91 ILE C C 91 177.898 175.684 2.214 1
1 1090 . 2 1 1 A 91 91 ILE CA C 91 60.211 60.436 -0.225 1
1 1091 . 2 1 1 A 91 91 ILE CB C 91 39.043 38.671 0.372 1
1 1095 . 2 1 1 A 91 91 ILE N N 91 126.827 128.994 -2.167 1
1 1096 . 2 1 1 A 92 92 THR H H 92 9.086 8.058 1.028 1
1 1097 . 2 1 1 A 92 92 THR HA H 92 4.314 4.866 -0.552 1
1 1102 . 2 1 1 A 92 92 THR C C 92 176.857 176.090 0.767 1
1 1103 . 2 1 1 A 92 92 THR CA C 92 61.693 59.666 2.027 1
1 1104 . 2 1 1 A 92 92 THR CB C 92 70.920 72.321 -1.401 1
1 1106 . 2 1 1 A 92 92 THR N N 92 117.131 115.755 1.376 1
1 1107 . 2 1 1 A 93 93 ALA H H 93 9.192 9.073 0.119 1
1 1108 . 2 1 1 A 93 93 ALA HA H 93 4.101 4.299 -0.198 1
1 1112 . 2 1 1 A 93 93 ALA C C 93 178.008 177.921 0.087 1
1 1113 . 2 1 1 A 93 93 ALA CA C 93 54.634 54.782 -0.148 1
1 1114 . 2 1 1 A 93 93 ALA CB C 93 18.198 18.512 -0.314 1
1 1115 . 2 1 1 A 93 93 ALA N N 93 123.540 124.185 -0.645 1
1 1116 . 2 1 1 A 94 94 ASP H H 94 7.979 7.379 0.600 1
1 1117 . 2 1 1 A 94 94 ASP HA H 94 4.724 4.692 0.032 1
1 1120 . 2 1 1 A 94 94 ASP C C 94 174.324 175.678 -1.354 1
1 1121 . 2 1 1 A 94 94 ASP CA C 94 53.098 53.786 -0.688 1
1 1122 . 2 1 1 A 94 94 ASP CB C 94 39.336 41.172 -1.836 1
1 1123 . 2 1 1 A 94 94 ASP N N 94 113.209 116.368 -3.159 1
1 1124 . 2 1 1 A 95 95 GLU H H 95 8.152 9.000 -0.848 1
1 1125 . 2 1 1 A 95 95 GLU HA H 95 3.430 3.839 -0.409 1
1 1130 . 2 1 1 A 95 95 GLU C C 95 174.578 175.533 -0.955 1
1 1131 . 2 1 1 A 95 95 GLU CA C 95 57.687 58.020 -0.333 1
1 1132 . 2 1 1 A 95 95 GLU CB C 95 26.300 27.402 -1.102 1
1 1134 . 2 1 1 A 95 95 GLU N N 95 114.010 115.485 -1.475 1
1 1135 . 2 1 1 A 96 96 VAL H H 96 7.595 7.225 0.370 1
1 1136 . 2 1 1 A 96 96 VAL HA H 96 4.063 3.951 0.112 1
1 1144 . 2 1 1 A 96 96 VAL C C 96 175.293 174.986 0.307 1
1 1145 . 2 1 1 A 96 96 VAL CA C 96 62.751 63.013 -0.262 1
1 1146 . 2 1 1 A 96 96 VAL CB C 96 31.440 31.530 -0.090 1
1 1149 . 2 1 1 A 96 96 VAL N N 96 120.925 120.479 0.446 1
1 1150 . 2 1 1 A 97 97 HIS H H 97 8.603 9.158 -0.555 1
1 1151 . 2 1 1 A 97 97 HIS HA H 97 5.234 5.014 0.220 1
1 1156 . 2 1 1 A 97 97 HIS C C 97 174.348 173.513 0.835 1
1 1157 . 2 1 1 A 97 97 HIS CA C 97 54.404 53.520 0.884 1
1 1158 . 2 1 1 A 97 97 HIS CB C 97 30.536 31.370 -0.834 1
1 1161 . 2 1 1 A 97 97 HIS N N 97 124.160 127.043 -2.883 1
1 1162 . 2 1 1 A 98 98 TYR H H 98 9.267 8.440 0.827 1
1 1163 . 2 1 1 A 98 98 TYR HA H 98 4.532 4.900 -0.368 1
1 1170 . 2 1 1 A 98 98 TYR C C 98 173.621 174.354 -0.733 1
1 1171 . 2 1 1 A 98 98 TYR CA C 98 57.122 56.558 0.564 1
1 1172 . 2 1 1 A 98 98 TYR CB C 98 41.228 40.518 0.710 1
1 1177 . 2 1 1 A 98 98 TYR N N 98 121.543 120.784 0.759 1
1 1178 . 2 1 1 A 99 99 PHE H H 99 8.861 8.932 -0.071 1
1 1179 . 2 1 1 A 99 99 PHE HA H 99 4.983 5.196 -0.213 1
1 1186 . 2 1 1 A 99 99 PHE C C 99 173.754 174.865 -1.111 1
1 1187 . 2 1 1 A 99 99 PHE CA C 99 57.705 56.941 0.764 1
1 1188 . 2 1 1 A 99 99 PHE CB C 99 41.516 39.314 2.202 1
1 1193 . 2 1 1 A 99 99 PHE N N 99 121.699 123.398 -1.699 1
1 1194 . 2 1 1 A 100 100 LEU H H 100 8.529 8.342 0.187 1
1 1195 . 2 1 1 A 100 100 LEU HA H 100 5.345 5.402 -0.057 1
1 1205 . 2 1 1 A 100 100 LEU C C 100 174.942 174.739 0.203 1
1 1206 . 2 1 1 A 100 100 LEU CA C 100 52.781 52.730 0.051 1
1 1207 . 2 1 1 A 100 100 LEU CB C 100 44.518 44.493 0.025 1
1 1211 . 2 1 1 A 100 100 LEU N N 100 123.519 125.080 -1.561 1
1 1212 . 2 1 1 A 101 101 GLN H H 101 8.717 8.775 -0.058 1
1 1213 . 2 1 1 A 101 101 GLN HA H 101 4.886 5.252 -0.366 1
1 1220 . 2 1 1 A 101 101 GLN C C 101 175.390 174.786 0.604 1
1 1221 . 2 1 1 A 101 101 GLN CA C 101 54.934 53.681 1.253 1
1 1222 . 2 1 1 A 101 101 GLN CB C 101 32.222 32.120 0.102 1
1 1224 . 2 1 1 A 101 101 GLN N N 101 117.786 121.719 -3.933 1
1 1226 . 2 1 1 A 102 102 ALA H H 102 8.256 8.726 -0.470 1
1 1227 . 2 1 1 A 102 102 ALA HA H 102 4.862 4.830 0.032 1
1 1231 . 2 1 1 A 102 102 ALA C C 102 176.008 177.771 -1.763 1
1 1232 . 2 1 1 A 102 102 ALA CA C 102 50.098 51.254 -1.156 1
1 1233 . 2 1 1 A 102 102 ALA CB C 102 21.606 20.857 0.749 1
1 1234 . 2 1 1 A 102 102 ALA N N 102 128.068 129.176 -1.108 1
1 1235 . 2 1 1 A 103 103 ALA H H 103 9.255 8.827 0.428 1
1 1236 . 2 1 1 A 103 103 ALA HA H 103 4.247 4.229 0.018 1
1 1240 . 2 1 1 A 103 103 ALA C C 103 178.153 177.852 0.301 1
1 1241 . 2 1 1 A 103 103 ALA CA C 103 54.369 55.250 -0.881 1
1 1242 . 2 1 1 A 103 103 ALA CB C 103 20.377 18.790 1.587 1
1 1243 . 2 1 1 A 103 103 ALA N N 103 120.410 123.052 -2.642 1
1 1244 . 2 1 1 A 104 104 THR H H 104 7.149 7.826 -0.677 1
1 1245 . 2 1 1 A 104 104 THR HA H 104 4.846 4.713 0.133 1
1 1250 . 2 1 1 A 104 104 THR C C 104 173.354 174.494 -1.140 1
1 1251 . 2 1 1 A 104 104 THR CA C 104 57.810 59.829 -2.019 1
1 1252 . 2 1 1 A 104 104 THR CB C 104 71.496 69.392 2.104 1
1 1254 . 2 1 1 A 104 104 THR N N 104 103.106 109.420 -6.314 1
1 1255 . 2 1 1 A 105 105 PRO HA H 105 4.225 4.631 -0.406 1
1 1262 . 2 1 1 A 105 105 PRO C C 105 179.704 177.996 1.708 1
1 1263 . 2 1 1 A 105 105 PRO CA C 105 65.046 64.225 0.821 1
1 1264 . 2 1 1 A 105 105 PRO CB C 105 31.775 31.830 -0.055 1
1 1267 . 2 1 1 A 106 106 LYS H H 106 7.764 7.957 -0.193 1
1 1268 . 2 1 1 A 106 106 LYS HA H 106 4.036 4.093 -0.057 1
1 1277 . 2 1 1 A 106 106 LYS C C 106 177.959 178.857 -0.898 1
1 1278 . 2 1 1 A 106 106 LYS CA C 106 59.452 59.167 0.285 1
1 1279 . 2 1 1 A 106 106 LYS CB C 106 32.797 31.928 0.869 1
1 1283 . 2 1 1 A 106 106 LYS N N 106 119.261 118.555 0.706 1
1 1284 . 2 1 1 A 107 107 GLU H H 107 8.005 7.729 0.276 1
1 1285 . 2 1 1 A 107 107 GLU HA H 107 4.171 4.059 0.112 1
1 1290 . 2 1 1 A 107 107 GLU C C 107 178.529 178.866 -0.337 1
1 1291 . 2 1 1 A 107 107 GLU CA C 107 59.310 59.230 0.080 1
1 1292 . 2 1 1 A 107 107 GLU CB C 107 31.111 29.436 1.675 1
1 1294 . 2 1 1 A 107 107 GLU N N 107 119.293 119.025 0.268 1
1 1295 . 2 1 1 A 108 108 ARG H H 108 7.810 7.618 0.192 1
1 1296 . 2 1 1 A 108 108 ARG HA H 108 3.603 4.399 -0.796 1
1 1303 . 2 1 1 A 108 108 ARG C C 108 176.287 179.009 -2.722 1
1 1304 . 2 1 1 A 108 108 ARG CA C 108 60.598 59.107 1.491 1
1 1305 . 2 1 1 A 108 108 ARG CB C 108 29.548 30.312 -0.764 1
1 1308 . 2 1 1 A 108 108 ARG N N 108 118.989 119.592 -0.603 1
1 1309 . 2 1 1 A 109 109 THR H H 109 8.195 8.197 -0.002 1
1 1310 . 2 1 1 A 109 109 THR HA H 109 3.645 3.854 -0.209 1
1 1315 . 2 1 1 A 109 109 THR C C 109 176.227 176.634 -0.407 1
1 1316 . 2 1 1 A 109 109 THR CA C 109 67.022 67.430 -0.408 1
1 1317 . 2 1 1 A 109 109 THR CB C 109 68.576 68.512 0.064 1
1 1319 . 2 1 1 A 109 109 THR N N 109 115.975 116.322 -0.347 1
1 1320 . 2 1 1 A 110 110 GLU H H 110 8.274 8.238 0.036 1
1 1321 . 2 1 1 A 110 110 GLU HA H 110 3.794 3.890 -0.096 1
1 1326 . 2 1 1 A 110 110 GLU C C 110 180.516 179.356 1.160 1
1 1327 . 2 1 1 A 110 110 GLU CA C 110 59.534 59.679 -0.145 1
1 1328 . 2 1 1 A 110 110 GLU CB C 110 29.507 29.302 0.205 1
1 1330 . 2 1 1 A 110 110 GLU N N 110 119.565 119.077 0.488 1
1 1331 . 2 1 1 A 111 111 TRP H H 111 8.316 8.859 -0.543 1
1 1332 . 2 1 1 A 111 111 TRP HA H 111 3.912 4.266 -0.354 1
1 1341 . 2 1 1 A 111 111 TRP C C 111 178.020 178.413 -0.393 1
1 1342 . 2 1 1 A 111 111 TRP CA C 111 62.464 60.129 2.335 1
1 1343 . 2 1 1 A 111 111 TRP CB C 111 29.548 29.372 0.176 1
1 1349 . 2 1 1 A 111 111 TRP N N 111 120.868 120.755 0.113 1
1 1351 . 2 1 1 A 112 112 ILE H H 112 8.271 7.781 0.490 1
1 1352 . 2 1 1 A 112 112 ILE HA H 112 3.254 3.534 -0.280 1
1 1362 . 2 1 1 A 112 112 ILE C C 112 177.669 177.950 -0.281 1
1 1363 . 2 1 1 A 112 112 ILE CA C 112 67.040 64.934 2.106 1
1 1364 . 2 1 1 A 112 112 ILE CB C 112 37.856 37.572 0.284 1
1 1368 . 2 1 1 A 112 112 ILE N N 112 118.862 119.670 -0.808 1
1 1369 . 2 1 1 A 113 113 LYS H H 113 8.042 8.220 -0.178 1
1 1370 . 2 1 1 A 113 113 LYS HA H 113 3.991 4.011 -0.020 1
1 1379 . 2 1 1 A 113 113 LYS C C 113 178.977 179.034 -0.057 1
1 1380 . 2 1 1 A 113 113 LYS CA C 113 59.328 59.300 0.028 1
1 1381 . 2 1 1 A 113 113 LYS CB C 113 32.345 32.222 0.123 1
1 1385 . 2 1 1 A 113 113 LYS N N 113 117.182 120.071 -2.889 1
1 1386 . 2 1 1 A 114 114 ALA H H 114 7.686 8.726 -1.040 1
1 1387 . 2 1 1 A 114 114 ALA HA H 114 4.058 4.017 0.041 1
1 1391 . 2 1 1 A 114 114 ALA C C 114 179.849 179.734 0.115 1
1 1392 . 2 1 1 A 114 114 ALA CA C 114 55.146 55.120 0.026 1
1 1393 . 2 1 1 A 114 114 ALA CB C 114 18.362 18.648 -0.286 1
1 1394 . 2 1 1 A 114 114 ALA N N 114 120.689 121.881 -1.192 1
1 1395 . 2 1 1 A 115 115 ILE H H 115 8.594 8.929 -0.335 1
1 1396 . 2 1 1 A 115 115 ILE HA H 115 3.534 3.598 -0.064 1
1 1406 . 2 1 1 A 115 115 ILE C C 115 178.432 178.236 0.196 1
1 1407 . 2 1 1 A 115 115 ILE CA C 115 66.016 65.300 0.716 1
1 1408 . 2 1 1 A 115 115 ILE CB C 115 38.390 37.732 0.658 1
1 1412 . 2 1 1 A 115 115 ILE N N 115 118.898 117.524 1.374 1
1 1413 . 2 1 1 A 116 116 GLN H H 116 8.732 8.510 0.222 1
1 1414 . 2 1 1 A 116 116 GLN HA H 116 3.851 4.280 -0.429 1
1 1421 . 2 1 1 A 116 116 GLN C C 116 179.655 178.264 1.391 1
1 1422 . 2 1 1 A 116 116 GLN CA C 116 59.575 58.921 0.654 1
1 1423 . 2 1 1 A 116 116 GLN CB C 116 28.222 28.467 -0.245 1
1 1425 . 2 1 1 A 116 116 GLN N N 116 119.877 118.972 0.905 1
1 1427 . 2 1 1 A 117 117 MET H H 117 8.279 8.525 -0.246 1
1 1428 . 2 1 1 A 117 117 MET HA H 117 4.155 4.021 0.134 1
1 1436 . 2 1 1 A 117 117 MET C C 117 179.123 178.009 1.114 1
1 1437 . 2 1 1 A 117 117 MET CA C 117 58.658 58.382 0.276 1
1 1438 . 2 1 1 A 117 117 MET CB C 117 31.934 32.488 -0.554 1
1 1441 . 2 1 1 A 117 117 MET N N 117 118.855 119.073 -0.218 1
1 1442 . 2 1 1 A 118 118 ALA H H 118 8.266 7.596 0.670 1
1 1443 . 2 1 1 A 118 118 ALA HA H 118 4.240 4.042 0.198 1
1 1447 . 2 1 1 A 118 118 ALA C C 118 178.820 179.640 -0.820 1
1 1448 . 2 1 1 A 118 118 ALA CA C 118 54.604 55.079 -0.475 1
1 1449 . 2 1 1 A 118 118 ALA CB C 118 18.627 19.029 -0.402 1
1 1450 . 2 1 1 A 118 118 ALA N N 118 121.702 121.536 0.166 1
1 1451 . 2 1 1 A 119 119 SER H H 119 8.073 9.042 -0.969 1
1 1452 . 2 1 1 A 119 119 SER HA H 119 4.027 4.215 -0.188 1
1 1455 . 2 1 1 A 119 119 SER C C 119 174.663 177.167 -2.504 1
1 1456 . 2 1 1 A 119 119 SER CA C 119 60.122 61.672 -1.550 1
1 1457 . 2 1 1 A 119 119 SER CB C 119 64.299 62.591 1.708 1
1 1458 . 2 1 1 A 119 119 SER N N 119 110.080 112.739 -2.659 1
1 1459 . 2 1 1 A 120 120 ARG H H 120 7.345 8.618 -1.273 1
1 1460 . 2 1 1 A 120 120 ARG HA H 120 4.383 4.114 0.269 1
1 1467 . 2 1 1 A 120 120 ARG C C 120 176.372 176.774 -0.402 1
1 1468 . 2 1 1 A 120 120 ARG CA C 120 56.681 58.964 -2.283 1
1 1469 . 2 1 1 A 120 120 ARG CB C 120 30.248 29.854 0.394 1
1 1472 . 2 1 1 A 120 120 ARG N N 120 120.244 121.855 -1.611 1
1 1473 . 2 1 1 A 121 121 THR H H 121 8.070 8.781 -0.711 1
1 1474 . 2 1 1 A 121 121 THR HA H 121 4.365 4.285 0.080 1
1 1479 . 2 1 1 A 121 121 THR C C 121 175.281 174.230 1.051 1
1 1480 . 2 1 1 A 121 121 THR CA C 121 62.557 62.631 -0.074 1
1 1481 . 2 1 1 A 121 121 THR CB C 121 70.298 68.961 1.337 1
1 1483 . 2 1 1 A 121 121 THR N N 121 114.024 114.321 -0.297 1
1 1484 . 2 1 1 A 122 122 GLY H H 122 8.520 8.498 0.022 1
1 1485 . 2 1 1 A 122 122 GLY HA2 H 122 4.005 4.037 -0.032 1
1 1486 . 2 1 1 A 122 122 GLY HA3 H 122 4.005 4.040 -0.035 1
1 1487 . 2 1 1 A 122 122 GLY C C 122 174.118 173.223 0.895 1
1 1488 . 2 1 1 A 122 122 GLY CA C 122 45.351 45.362 -0.011 1
1 1489 . 2 1 1 A 122 122 GLY N N 122 111.123 110.583 0.540 1
1 1490 . 2 1 1 A 123 123 LYS H H 123 8.309 7.506 0.803 1
1 1491 . 2 1 1 A 123 123 LYS HA H 123 4.364 4.850 -0.486 1
1 1500 . 2 1 1 A 123 123 LYS C C 123 176.772 174.277 2.495 1
1 1501 . 2 1 1 A 123 123 LYS CA C 123 56.310 55.144 1.166 1
1 1502 . 2 1 1 A 123 123 LYS CB C 123 33.167 35.309 -2.142 1
1 1506 . 2 1 1 A 123 123 LYS N N 123 121.100 120.135 0.965 1
1 1507 . 2 1 1 A 124 124 SER H H 124 8.453 8.500 -0.047 1
1 1508 . 2 1 1 A 124 124 SER HA H 124 4.489 5.120 -0.631 1
1 1509 . 2 1 1 A 124 124 SER C C 124 174.518 173.272 1.246 1
1 1510 . 2 1 1 A 124 124 SER CA C 124 58.357 57.820 0.537 1
1 1511 . 2 1 1 A 124 124 SER CB C 124 64.052 64.293 -0.241 1
1 1512 . 2 1 1 A 124 124 SER N N 124 117.316 114.382 2.934 1
1 1513 . 2 1 1 A 125 125 GLY H H 125 8.278 8.996 -0.718 1
1 1514 . 2 1 1 A 125 125 GLY HA2 H 125 4.154 4.102 0.052 1
1 1515 . 2 1 1 A 125 125 GLY HA3 H 125 4.102 4.105 -0.003 1
1 1516 . 2 1 1 A 125 125 GLY C C 125 171.827 174.456 -2.629 1
1 1517 . 2 1 1 A 125 125 GLY CA C 125 44.680 43.912 0.768 1
1 1518 . 2 1 1 A 125 125 GLY N N 125 110.670 112.000 -1.330 1
1 1519 . 2 1 1 A 126 126 PRO HA H 126 4.461 4.359 0.102 1
1 1526 . 2 1 1 A 126 126 PRO C C 126 177.426 177.164 0.262 1
1 1527 . 2 1 1 A 126 126 PRO CA C 126 63.281 64.799 -1.518 1
1 1528 . 2 1 1 A 126 126 PRO CB C 126 32.263 31.927 0.336 1
1 1531 . 2 1 1 A 127 127 SER H H 127 8.556 8.173 0.383 1
1 1532 . 2 1 1 A 127 127 SER HA H 127 4.489 4.364 0.125 1
1 1535 . 2 1 1 A 127 127 SER C C 127 174.651 173.918 0.733 1
1 1536 . 2 1 1 A 127 127 SER CA C 127 58.410 58.651 -0.241 1
1 1537 . 2 1 1 A 127 127 SER CB C 127 63.682 63.026 0.656 1
1 1538 . 2 1 1 A 127 127 SER N N 127 116.423 115.453 0.970 1
1 1539 . 2 1 1 A 128 128 SER H H 128 8.313 8.788 -0.475 1
1 1540 . 2 1 1 A 128 128 SER HA H 128 4.489 4.158 0.331 1
1 1543 . 2 1 1 A 128 128 SER C C 128 173.936 173.754 0.182 1
1 1544 . 2 1 1 A 128 128 SER CA C 128 58.393 58.948 -0.555 1
1 1545 . 2 1 1 A 128 128 SER CB C 128 64.052 62.153 1.899 1
1 1546 . 2 1 1 A 128 128 SER N N 128 117.750 119.645 -1.895 1
1 1 . 3 1 1 A 6 6 SER HA H 6 4.475 4.734 -0.259 1
1 4 . 3 1 1 A 6 6 SER C C 6 174.978 175.307 -0.329 1
1 5 . 3 1 1 A 6 6 SER CA C 6 58.657 58.826 -0.169 1
1 6 . 3 1 1 A 6 6 SER CB C 6 63.682 65.755 -2.073 1
1 7 . 3 1 1 A 7 7 GLY H H 7 8.385 7.981 0.404 1
1 8 . 3 1 1 A 7 7 GLY HA2 H 7 3.947 4.093 -0.146 1
1 9 . 3 1 1 A 7 7 GLY HA3 H 7 3.947 4.096 -0.149 1
1 10 . 3 1 1 A 7 7 GLY C C 7 173.900 173.812 0.088 1
1 11 . 3 1 1 A 7 7 GLY CA C 7 45.280 44.746 0.534 1
1 12 . 3 1 1 A 7 7 GLY N N 7 110.753 107.555 3.198 1
1 13 . 3 1 1 A 8 8 VAL H H 8 7.896 8.595 -0.699 1
1 14 . 3 1 1 A 8 8 VAL HA H 8 4.046 4.062 -0.016 1
1 22 . 3 1 1 A 8 8 VAL C C 8 175.948 175.094 0.854 1
1 23 . 3 1 1 A 8 8 VAL CA C 8 62.399 64.102 -1.703 1
1 24 . 3 1 1 A 8 8 VAL CB C 8 32.904 30.656 2.248 1
1 27 . 3 1 1 A 8 8 VAL N N 8 119.771 119.560 0.211 1
1 28 . 3 1 1 A 9 9 ILE H H 9 8.253 8.588 -0.335 1
1 29 . 3 1 1 A 9 9 ILE HA H 9 4.103 4.043 0.060 1
1 39 . 3 1 1 A 9 9 ILE C C 9 175.984 175.668 0.316 1
1 40 . 3 1 1 A 9 9 ILE CA C 9 60.657 62.305 -1.648 1
1 41 . 3 1 1 A 9 9 ILE CB C 9 38.349 38.209 0.140 1
1 45 . 3 1 1 A 9 9 ILE N N 9 125.791 125.463 0.328 1
1 46 . 3 1 1 A 10 10 LEU H H 10 8.374 8.597 -0.223 1
1 47 . 3 1 1 A 10 10 LEU HA H 10 4.379 5.215 -0.836 1
1 57 . 3 1 1 A 10 10 LEU C C 10 177.171 176.304 0.867 1
1 58 . 3 1 1 A 10 10 LEU CA C 10 54.598 53.373 1.225 1
1 59 . 3 1 1 A 10 10 LEU CB C 10 42.873 45.551 -2.678 1
1 63 . 3 1 1 A 10 10 LEU N N 10 127.929 128.504 -0.575 1
1 64 . 3 1 1 A 11 11 LYS H H 11 8.414 8.802 -0.388 1
1 65 . 3 1 1 A 11 11 LYS HA H 11 4.214 4.402 -0.188 1
1 74 . 3 1 1 A 11 11 LYS C C 11 177.244 176.906 0.338 1
1 75 . 3 1 1 A 11 11 LYS CA C 11 57.051 56.011 1.040 1
1 76 . 3 1 1 A 11 11 LYS CB C 11 33.332 33.347 -0.015 1
1 80 . 3 1 1 A 11 11 LYS N N 11 123.211 126.522 -3.311 1
1 81 . 3 1 1 A 12 12 GLU H H 12 8.629 8.715 -0.086 1
1 82 . 3 1 1 A 12 12 GLU HA H 12 3.745 4.545 -0.800 1
1 87 . 3 1 1 A 12 12 GLU C C 12 177.366 177.738 -0.372 1
1 88 . 3 1 1 A 12 12 GLU CA C 12 59.663 56.377 3.286 1
1 89 . 3 1 1 A 12 12 GLU CB C 12 29.672 30.674 -1.002 1
1 91 . 3 1 1 A 12 12 GLU N N 12 122.998 119.958 3.040 1
1 92 . 3 1 1 A 13 13 GLU H H 13 8.043 7.974 0.069 1
1 93 . 3 1 1 A 13 13 GLU HA H 13 3.333 4.326 -0.993 1
1 98 . 3 1 1 A 13 13 GLU C C 13 175.451 177.271 -1.820 1
1 99 . 3 1 1 A 13 13 GLU CA C 13 57.634 58.391 -0.757 1
1 100 . 3 1 1 A 13 13 GLU CB C 13 28.567 30.021 -1.454 1
1 102 . 3 1 1 A 13 13 GLU N N 13 113.498 117.260 -3.762 1
1 103 . 3 1 1 A 14 14 PHE H H 14 7.483 7.416 0.067 1
1 104 . 3 1 1 A 14 14 PHE HA H 14 4.650 4.726 -0.076 1
1 112 . 3 1 1 A 14 14 PHE C C 14 175.657 176.040 -0.383 1
1 113 . 3 1 1 A 14 14 PHE CA C 14 56.187 57.266 -1.079 1
1 114 . 3 1 1 A 14 14 PHE CB C 14 39.665 38.046 1.619 1
1 120 . 3 1 1 A 14 14 PHE N N 14 115.879 117.993 -2.114 1
1 121 . 3 1 1 A 15 15 ARG H H 15 7.757 8.060 -0.303 1
1 122 . 3 1 1 A 15 15 ARG HA H 15 4.154 4.595 -0.441 1
1 129 . 3 1 1 A 15 15 ARG C C 15 177.353 176.558 0.795 1
1 130 . 3 1 1 A 15 15 ARG CA C 15 58.092 55.450 2.642 1
1 131 . 3 1 1 A 15 15 ARG CB C 15 31.193 31.674 -0.481 1
1 134 . 3 1 1 A 15 15 ARG N N 15 118.945 117.380 1.565 1
1 135 . 3 1 1 A 16 16 GLY H H 16 8.812 8.060 0.752 1
1 136 . 3 1 1 A 16 16 GLY HA2 H 16 4.194 4.109 0.085 1
1 137 . 3 1 1 A 16 16 GLY HA3 H 16 3.824 4.139 -0.315 1
1 138 . 3 1 1 A 16 16 GLY C C 16 173.427 172.682 0.745 1
1 139 . 3 1 1 A 16 16 GLY CA C 16 45.157 44.312 0.845 1
1 140 . 3 1 1 A 16 16 GLY N N 16 109.133 109.663 -0.530 1
1 141 . 3 1 1 A 17 17 VAL H H 17 8.308 8.376 -0.068 1
1 142 . 3 1 1 A 17 17 VAL HA H 17 4.060 4.933 -0.873 1
1 150 . 3 1 1 A 17 17 VAL C C 17 176.469 173.917 2.552 1
1 151 . 3 1 1 A 17 17 VAL CA C 17 62.098 59.367 2.731 1
1 152 . 3 1 1 A 17 17 VAL CB C 17 33.414 35.638 -2.224 1
1 155 . 3 1 1 A 17 17 VAL N N 17 120.815 118.714 2.101 1
1 156 . 3 1 1 A 18 18 ILE H H 18 8.547 8.950 -0.403 1
1 157 . 3 1 1 A 18 18 ILE HA H 18 4.186 4.791 -0.605 1
1 167 . 3 1 1 A 18 18 ILE C C 18 177.208 176.679 0.529 1
1 168 . 3 1 1 A 18 18 ILE CA C 18 63.175 60.308 2.867 1
1 169 . 3 1 1 A 18 18 ILE CB C 18 38.596 39.837 -1.241 1
1 173 . 3 1 1 A 18 18 ILE N N 18 125.006 124.121 0.885 1
1 174 . 3 1 1 A 19 19 ILE H H 19 9.127 8.714 0.413 1
1 175 . 3 1 1 A 19 19 ILE HA H 19 4.461 4.497 -0.036 1
1 185 . 3 1 1 A 19 19 ILE C C 19 176.081 175.962 0.119 1
1 186 . 3 1 1 A 19 19 ILE CA C 19 60.298 61.175 -0.877 1
1 187 . 3 1 1 A 19 19 ILE CB C 19 39.665 39.485 0.180 1
1 191 . 3 1 1 A 19 19 ILE N N 19 124.358 120.561 3.797 1
1 192 . 3 1 1 A 20 20 LYS H H 20 7.620 7.630 -0.010 1
1 193 . 3 1 1 A 20 20 LYS HA H 20 4.325 4.570 -0.245 1
1 202 . 3 1 1 A 20 20 LYS C C 20 172.760 174.183 -1.423 1
1 203 . 3 1 1 A 20 20 LYS CA C 20 57.298 55.897 1.401 1
1 204 . 3 1 1 A 20 20 LYS CB C 20 36.458 35.864 0.594 1
1 208 . 3 1 1 A 20 20 LYS N N 20 121.749 121.384 0.365 1
1 209 . 3 1 1 A 21 21 GLN H H 21 8.572 8.596 -0.024 1
1 210 . 3 1 1 A 21 21 GLN HA H 21 5.927 5.371 0.556 1
1 217 . 3 1 1 A 21 21 GLN C C 21 175.124 174.889 0.235 1
1 218 . 3 1 1 A 21 21 GLN CA C 21 54.227 54.471 -0.244 1
1 219 . 3 1 1 A 21 21 GLN CB C 21 33.369 32.687 0.682 1
1 221 . 3 1 1 A 21 21 GLN N N 21 121.653 124.123 -2.470 1
1 223 . 3 1 1 A 22 22 GLY H H 22 9.178 8.623 0.555 1
1 224 . 3 1 1 A 22 22 GLY HA2 H 22 4.904 4.317 0.587 1
1 225 . 3 1 1 A 22 22 GLY HA3 H 22 4.447 4.435 0.012 1
1 226 . 3 1 1 A 22 22 GLY C C 22 172.300 172.146 0.154 1
1 227 . 3 1 1 A 22 22 GLY CA C 22 45.650 45.218 0.432 1
1 228 . 3 1 1 A 22 22 GLY N N 22 108.544 108.385 0.159 1
1 229 . 3 1 1 A 23 23 CYS H H 23 9.262 8.307 0.955 1
1 230 . 3 1 1 A 23 23 CYS HA H 23 5.904 5.659 0.245 1
1 233 . 3 1 1 A 23 23 CYS C C 23 175.293 173.860 1.433 1
1 234 . 3 1 1 A 23 23 CYS CA C 23 59.222 57.870 1.352 1
1 235 . 3 1 1 A 23 23 CYS CB C 23 29.260 29.936 -0.676 1
1 236 . 3 1 1 A 23 23 CYS N N 23 118.575 119.218 -0.643 1
1 237 . 3 1 1 A 24 24 LEU H H 24 9.131 9.689 -0.558 1
1 238 . 3 1 1 A 24 24 LEU HA H 24 4.627 5.027 -0.400 1
1 248 . 3 1 1 A 24 24 LEU C C 24 175.354 175.489 -0.135 1
1 249 . 3 1 1 A 24 24 LEU CA C 24 53.963 53.528 0.435 1
1 250 . 3 1 1 A 24 24 LEU CB C 24 47.315 46.150 1.165 1
1 254 . 3 1 1 A 24 24 LEU N N 24 122.880 123.321 -0.441 1
1 255 . 3 1 1 A 25 25 LEU H H 25 7.968 8.896 -0.928 1
1 256 . 3 1 1 A 25 25 LEU HA H 25 5.056 5.416 -0.360 1
1 266 . 3 1 1 A 25 25 LEU C C 25 175.766 174.883 0.883 1
1 267 . 3 1 1 A 25 25 LEU CA C 25 54.810 54.282 0.528 1
1 268 . 3 1 1 A 25 25 LEU CB C 25 44.065 42.290 1.775 1
1 272 . 3 1 1 A 25 25 LEU N N 25 119.755 122.311 -2.556 1
1 273 . 3 1 1 A 26 26 LYS H H 26 9.307 9.062 0.245 1
1 274 . 3 1 1 A 26 26 LYS HA H 26 5.166 4.883 0.283 1
1 283 . 3 1 1 A 26 26 LYS C C 26 175.778 176.268 -0.490 1
1 284 . 3 1 1 A 26 26 LYS CA C 26 54.687 55.466 -0.779 1
1 285 . 3 1 1 A 26 26 LYS CB C 26 37.033 33.611 3.422 1
1 289 . 3 1 1 A 26 26 LYS N N 26 122.635 126.117 -3.482 1
1 290 . 3 1 1 A 27 27 GLN H H 27 8.228 8.153 0.075 1
1 291 . 3 1 1 A 27 27 GLN HA H 27 3.839 4.033 -0.194 1
1 298 . 3 1 1 A 27 27 GLN C C 27 176.869 176.506 0.363 1
1 299 . 3 1 1 A 27 27 GLN CA C 27 55.922 55.876 0.046 1
1 300 . 3 1 1 A 27 27 GLN CB C 27 29.589 29.317 0.272 1
1 302 . 3 1 1 A 27 27 GLN N N 27 132.145 127.648 4.497 1
1 304 . 3 1 1 A 28 28 GLY H H 28 8.434 8.326 0.108 1
1 305 . 3 1 1 A 28 28 GLY HA2 H 28 4.144 3.936 0.208 1
1 306 . 3 1 1 A 28 28 GLY HA3 H 28 3.999 3.960 0.039 1
1 307 . 3 1 1 A 28 28 GLY CA C 28 45.457 44.984 0.473 1
1 308 . 3 1 1 A 28 28 GLY N N 28 114.691 109.674 5.017 1
1 309 . 3 1 1 A 29 29 HIS HA H 29 4.352 4.888 -0.536 1
1 314 . 3 1 1 A 29 29 HIS CA C 29 58.505 57.210 1.295 1
1 315 . 3 1 1 A 29 29 HIS CB C 29 30.967 31.945 -0.978 1
1 318 . 3 1 1 A 30 30 ARG HA H 30 4.114 4.259 -0.145 1
1 325 . 3 1 1 A 30 30 ARG CA C 30 56.429 57.051 -0.622 1
1 326 . 3 1 1 A 30 30 ARG CB C 30 29.591 31.633 -2.042 1
1 329 . 3 1 1 A 31 31 ARG HA H 31 3.774 4.621 -0.847 1
1 336 . 3 1 1 A 31 31 ARG C C 31 175.536 174.138 1.398 1
1 337 . 3 1 1 A 31 31 ARG CA C 31 55.922 55.667 0.255 1
1 338 . 3 1 1 A 31 31 ARG CB C 31 29.302 33.692 -4.390 1
1 341 . 3 1 1 A 32 32 LYS H H 32 8.011 8.056 -0.045 1
1 342 . 3 1 1 A 32 32 LYS HA H 32 4.164 4.731 -0.567 1
1 351 . 3 1 1 A 32 32 LYS C C 32 175.741 174.979 0.762 1
1 352 . 3 1 1 A 32 32 LYS CA C 32 56.239 54.199 2.040 1
1 353 . 3 1 1 A 32 32 LYS CB C 32 32.016 36.786 -4.770 1
1 357 . 3 1 1 A 32 32 LYS N N 32 117.463 125.008 -7.545 1
1 358 . 3 1 1 A 33 33 ASN H H 33 7.870 8.618 -0.748 1
1 359 . 3 1 1 A 33 33 ASN HA H 33 4.807 5.228 -0.421 1
1 364 . 3 1 1 A 33 33 ASN C C 33 173.681 175.316 -1.635 1
1 365 . 3 1 1 A 33 33 ASN CA C 33 52.551 52.423 0.128 1
1 366 . 3 1 1 A 33 33 ASN CB C 33 39.830 39.872 -0.042 1
1 367 . 3 1 1 A 33 33 ASN N N 33 117.522 118.780 -1.258 1
1 369 . 3 1 1 A 34 34 TRP H H 34 8.704 8.583 0.121 1
1 370 . 3 1 1 A 34 34 TRP HA H 34 4.807 4.606 0.201 1
1 379 . 3 1 1 A 34 34 TRP C C 34 176.129 176.732 -0.603 1
1 380 . 3 1 1 A 34 34 TRP CA C 34 56.540 59.044 -2.504 1
1 381 . 3 1 1 A 34 34 TRP CB C 34 31.399 29.892 1.507 1
1 387 . 3 1 1 A 34 34 TRP N N 34 121.620 124.525 -2.905 1
1 389 . 3 1 1 A 35 35 LYS H H 35 8.457 9.018 -0.561 1
1 390 . 3 1 1 A 35 35 LYS HA H 35 4.876 4.888 -0.012 1
1 399 . 3 1 1 A 35 35 LYS C C 35 176.081 176.036 0.045 1
1 400 . 3 1 1 A 35 35 LYS CA C 35 54.298 54.789 -0.491 1
1 401 . 3 1 1 A 35 35 LYS CB C 35 36.498 35.845 0.653 1
1 405 . 3 1 1 A 35 35 LYS N N 35 120.816 124.853 -4.037 1
1 406 . 3 1 1 A 36 36 VAL H H 36 8.974 8.549 0.425 1
1 407 . 3 1 1 A 36 36 VAL HA H 36 4.254 4.601 -0.347 1
1 415 . 3 1 1 A 36 36 VAL C C 36 176.808 176.036 0.772 1
1 416 . 3 1 1 A 36 36 VAL CA C 36 63.828 61.670 2.158 1
1 417 . 3 1 1 A 36 36 VAL CB C 36 31.687 32.483 -0.796 1
1 420 . 3 1 1 A 36 36 VAL N N 36 123.825 124.144 -0.319 1
1 421 . 3 1 1 A 37 37 ARG H H 37 9.327 8.932 0.395 1
1 422 . 3 1 1 A 37 37 ARG HA H 37 4.930 4.928 0.002 1
1 427 . 3 1 1 A 37 37 ARG C C 37 173.815 174.514 -0.699 1
1 428 . 3 1 1 A 37 37 ARG CA C 37 54.351 54.682 -0.331 1
1 429 . 3 1 1 A 37 37 ARG CB C 37 34.709 34.275 0.434 1
1 432 . 3 1 1 A 37 37 ARG N N 37 128.926 125.488 3.438 1
1 433 . 3 1 1 A 38 38 LYS H H 38 8.714 8.499 0.215 1
1 434 . 3 1 1 A 38 38 LYS HA H 38 4.959 4.808 0.151 1
1 443 . 3 1 1 A 38 38 LYS C C 38 175.075 175.221 -0.146 1
1 444 . 3 1 1 A 38 38 LYS CA C 38 55.869 56.414 -0.545 1
1 445 . 3 1 1 A 38 38 LYS CB C 38 34.072 33.660 0.412 1
1 449 . 3 1 1 A 38 38 LYS N N 38 121.669 123.000 -1.331 1
1 450 . 3 1 1 A 39 39 PHE H H 39 9.751 9.995 -0.244 1
1 451 . 3 1 1 A 39 39 PHE HA H 39 5.591 5.184 0.407 1
1 459 . 3 1 1 A 39 39 PHE C C 39 175.414 174.800 0.614 1
1 460 . 3 1 1 A 39 39 PHE CA C 39 57.474 56.819 0.655 1
1 461 . 3 1 1 A 39 39 PHE CB C 39 42.667 41.390 1.277 1
1 467 . 3 1 1 A 39 39 PHE N N 39 127.216 124.584 2.632 1
1 468 . 3 1 1 A 40 40 ILE H H 40 9.246 10.571 -1.325 1
1 469 . 3 1 1 A 40 40 ILE HA H 40 4.864 5.226 -0.362 1
1 479 . 3 1 1 A 40 40 ILE C C 40 174.724 174.270 0.454 1
1 480 . 3 1 1 A 40 40 ILE CA C 40 62.134 59.930 2.204 1
1 481 . 3 1 1 A 40 40 ILE CB C 40 41.022 40.694 0.328 1
1 485 . 3 1 1 A 40 40 ILE N N 40 119.337 123.724 -4.387 1
1 486 . 3 1 1 A 41 41 LEU H H 41 9.549 9.198 0.351 1
1 487 . 3 1 1 A 41 41 LEU HA H 41 5.485 5.301 0.184 1
1 497 . 3 1 1 A 41 41 LEU C C 41 174.457 175.216 -0.759 1
1 498 . 3 1 1 A 41 41 LEU CA C 41 54.004 53.742 0.262 1
1 499 . 3 1 1 A 41 41 LEU CB C 41 45.299 45.426 -0.127 1
1 503 . 3 1 1 A 41 41 LEU N N 41 132.451 131.036 1.415 1
1 504 . 3 1 1 A 42 42 ARG H H 42 9.383 9.214 0.169 1
1 505 . 3 1 1 A 42 42 ARG HA H 42 5.492 5.461 0.031 1
1 513 . 3 1 1 A 42 42 ARG C C 42 174.893 175.259 -0.366 1
1 514 . 3 1 1 A 42 42 ARG CA C 42 54.421 54.662 -0.241 1
1 515 . 3 1 1 A 42 42 ARG CB C 42 35.470 33.645 1.825 1
1 518 . 3 1 1 A 42 42 ARG N N 42 128.467 124.895 3.572 1
1 520 . 3 1 1 A 43 43 GLU H H 43 8.259 8.617 -0.358 1
1 521 . 3 1 1 A 43 43 GLU HA H 43 4.366 4.733 -0.367 1
1 526 . 3 1 1 A 43 43 GLU C C 43 174.893 175.906 -1.013 1
1 527 . 3 1 1 A 43 43 GLU CA C 43 54.898 55.756 -0.858 1
1 528 . 3 1 1 A 43 43 GLU CB C 43 33.102 30.962 2.140 1
1 530 . 3 1 1 A 43 43 GLU N N 43 115.434 121.081 -5.647 1
1 531 . 3 1 1 A 44 44 ASP H H 44 7.870 9.013 -1.143 1
1 532 . 3 1 1 A 44 44 ASP HA H 44 4.433 4.256 0.177 1
1 535 . 3 1 1 A 44 44 ASP C C 44 172.991 174.268 -1.277 1
1 536 . 3 1 1 A 44 44 ASP CA C 44 53.892 54.937 -1.045 1
1 537 . 3 1 1 A 44 44 ASP CB C 44 41.146 39.608 1.538 1
1 538 . 3 1 1 A 44 44 ASP N N 44 114.444 120.250 -5.806 1
1 539 . 3 1 1 A 45 45 PRO HA H 45 4.710 4.537 0.173 1
1 546 . 3 1 1 A 45 45 PRO C C 45 176.747 175.555 1.192 1
1 547 . 3 1 1 A 45 45 PRO CA C 45 63.246 62.594 0.652 1
1 548 . 3 1 1 A 45 45 PRO CB C 45 34.977 32.652 2.325 1
1 551 . 3 1 1 A 46 46 ALA H H 46 8.356 8.156 0.200 1
1 552 . 3 1 1 A 46 46 ALA HA H 46 5.049 4.698 0.351 1
1 556 . 3 1 1 A 46 46 ALA C C 46 175.499 175.994 -0.495 1
1 557 . 3 1 1 A 46 46 ALA CA C 46 51.545 50.799 0.746 1
1 558 . 3 1 1 A 46 46 ALA CB C 46 19.655 19.484 0.171 1
1 559 . 3 1 1 A 46 46 ALA N N 46 122.969 123.605 -0.636 1
1 560 . 3 1 1 A 47 47 TYR H H 47 8.047 9.205 -1.158 1
1 561 . 3 1 1 A 47 47 TYR HA H 47 5.097 5.136 -0.039 1
1 568 . 3 1 1 A 47 47 TYR C C 47 173.730 174.290 -0.560 1
1 569 . 3 1 1 A 47 47 TYR CA C 47 57.563 56.273 1.290 1
1 570 . 3 1 1 A 47 47 TYR CB C 47 45.711 43.252 2.459 1
1 575 . 3 1 1 A 47 47 TYR N N 47 126.550 121.052 5.498 1
1 576 . 3 1 1 A 48 48 LEU H H 48 8.776 8.296 0.480 1
1 577 . 3 1 1 A 48 48 LEU HA H 48 5.578 5.173 0.405 1
1 587 . 3 1 1 A 48 48 LEU C C 48 175.039 174.587 0.452 1
1 588 . 3 1 1 A 48 48 LEU CA C 48 53.134 53.825 -0.691 1
1 589 . 3 1 1 A 48 48 LEU CB C 48 46.369 45.072 1.297 1
1 593 . 3 1 1 A 48 48 LEU N N 48 120.864 122.689 -1.825 1
1 594 . 3 1 1 A 49 49 HIS H H 49 8.974 9.220 -0.246 1
1 595 . 3 1 1 A 49 49 HIS HA H 49 5.181 4.855 0.326 1
1 600 . 3 1 1 A 49 49 HIS C C 49 174.712 173.744 0.968 1
1 601 . 3 1 1 A 49 49 HIS CA C 49 57.916 53.867 4.049 1
1 602 . 3 1 1 A 49 49 HIS CB C 49 35.347 31.715 3.632 1
1 605 . 3 1 1 A 49 49 HIS N N 49 124.417 126.373 -1.956 1
1 606 . 3 1 1 A 50 50 TYR H H 50 7.348 7.892 -0.544 1
1 607 . 3 1 1 A 50 50 TYR HA H 50 5.909 5.656 0.253 1
1 614 . 3 1 1 A 50 50 TYR C C 50 174.239 173.350 0.889 1
1 615 . 3 1 1 A 50 50 TYR CA C 50 53.610 55.036 -1.426 1
1 616 . 3 1 1 A 50 50 TYR CB C 50 40.077 40.541 -0.464 1
1 621 . 3 1 1 A 50 50 TYR N N 50 114.323 118.853 -4.530 1
1 622 . 3 1 1 A 51 51 TYR H H 51 9.230 9.216 0.014 1
1 623 . 3 1 1 A 51 51 TYR HA H 51 4.555 4.904 -0.349 1
1 630 . 3 1 1 A 51 51 TYR C C 51 175.572 174.920 0.652 1
1 631 . 3 1 1 A 51 51 TYR CA C 51 57.175 56.662 0.513 1
1 632 . 3 1 1 A 51 51 TYR CB C 51 42.709 41.522 1.187 1
1 637 . 3 1 1 A 51 51 TYR N N 51 117.695 122.359 -4.664 1
1 638 . 3 1 1 A 52 52 ASP H H 52 9.390 8.572 0.818 1
1 639 . 3 1 1 A 52 52 ASP HA H 52 4.937 4.761 0.176 1
1 642 . 3 1 1 A 52 52 ASP CA C 52 52.057 52.230 -0.173 1
1 643 . 3 1 1 A 52 52 ASP CB C 52 42.197 41.703 0.494 1
1 644 . 3 1 1 A 52 52 ASP N N 52 123.964 123.314 0.650 1
1 645 . 3 1 1 A 53 53 PRO HA H 53 4.274 4.408 -0.134 1
1 652 . 3 1 1 A 53 53 PRO C C 53 176.360 178.420 -2.060 1
1 653 . 3 1 1 A 53 53 PRO CA C 53 64.728 65.677 -0.949 1
1 654 . 3 1 1 A 53 53 PRO CB C 53 32.016 31.928 0.088 1
1 657 . 3 1 1 A 54 54 ALA H H 54 8.384 8.331 0.053 1
1 658 . 3 1 1 A 54 54 ALA HA H 54 4.492 4.123 0.369 1
1 662 . 3 1 1 A 54 54 ALA C C 54 177.620 177.825 -0.205 1
1 663 . 3 1 1 A 54 54 ALA CA C 54 52.022 53.934 -1.912 1
1 664 . 3 1 1 A 54 54 ALA CB C 54 19.202 19.578 -0.376 1
1 665 . 3 1 1 A 54 54 ALA N N 54 120.140 119.211 0.929 1
1 666 . 3 1 1 A 55 55 GLY H H 55 7.710 7.261 0.449 1
1 667 . 3 1 1 A 55 55 GLY HA2 H 55 4.194 4.023 0.171 1
1 668 . 3 1 1 A 55 55 GLY HA3 H 55 3.833 4.023 -0.190 1
1 669 . 3 1 1 A 55 55 GLY C C 55 173.524 171.268 2.256 1
1 670 . 3 1 1 A 55 55 GLY CA C 55 45.421 45.467 -0.046 1
1 671 . 3 1 1 A 55 55 GLY N N 55 107.828 102.664 5.164 1
1 672 . 3 1 1 A 56 56 ALA H H 56 8.339 8.444 -0.105 1
1 673 . 3 1 1 A 56 56 ALA HA H 56 4.378 4.814 -0.436 1
1 677 . 3 1 1 A 56 56 ALA C C 56 177.741 175.875 1.866 1
1 678 . 3 1 1 A 56 56 ALA CA C 56 52.410 51.610 0.800 1
1 679 . 3 1 1 A 56 56 ALA CB C 56 19.843 22.758 -2.915 1
1 680 . 3 1 1 A 56 56 ALA N N 56 125.269 121.745 3.524 1
1 681 . 3 1 1 A 57 57 GLU H H 57 8.567 8.587 -0.020 1
1 682 . 3 1 1 A 57 57 GLU HA H 57 4.160 4.524 -0.364 1
1 687 . 3 1 1 A 57 57 GLU C C 57 176.335 175.592 0.743 1
1 688 . 3 1 1 A 57 57 GLU CA C 57 57.616 57.368 0.248 1
1 689 . 3 1 1 A 57 57 GLU CB C 57 30.083 32.121 -2.038 1
1 691 . 3 1 1 A 57 57 GLU N N 57 119.341 116.809 2.532 1
1 692 . 3 1 1 A 58 58 ASP H H 58 7.718 7.794 -0.076 1
1 693 . 3 1 1 A 58 58 ASP HA H 58 5.010 4.666 0.344 1
1 696 . 3 1 1 A 58 58 ASP C C 58 173.209 175.058 -1.849 1
1 697 . 3 1 1 A 58 58 ASP CA C 58 52.128 52.437 -0.309 1
1 698 . 3 1 1 A 58 58 ASP CB C 58 40.981 41.298 -0.317 1
1 699 . 3 1 1 A 58 58 ASP N N 58 118.499 116.949 1.550 1
1 700 . 3 1 1 A 59 59 PRO HA H 59 3.493 4.110 -0.617 1
1 707 . 3 1 1 A 59 59 PRO C C 59 177.111 177.769 -0.658 1
1 708 . 3 1 1 A 59 59 PRO CA C 59 63.069 62.316 0.753 1
1 709 . 3 1 1 A 59 59 PRO CB C 59 31.229 31.469 -0.240 1
1 712 . 3 1 1 A 60 60 LEU H H 60 8.770 8.327 0.443 1
1 713 . 3 1 1 A 60 60 LEU HA H 60 4.114 3.974 0.140 1
1 723 . 3 1 1 A 60 60 LEU C C 60 177.268 176.525 0.743 1
1 724 . 3 1 1 A 60 60 LEU CA C 60 55.181 56.902 -1.721 1
1 725 . 3 1 1 A 60 60 LEU CB C 60 42.750 42.325 0.425 1
1 729 . 3 1 1 A 60 60 LEU N N 60 121.907 120.700 1.207 1
1 730 . 3 1 1 A 61 61 GLY H H 61 6.472 6.538 -0.066 1
1 731 . 3 1 1 A 61 61 GLY HA2 H 61 3.798 3.913 -0.115 1
1 732 . 3 1 1 A 61 61 GLY HA3 H 61 3.382 3.973 -0.591 1
1 733 . 3 1 1 A 61 61 GLY C C 61 169.367 170.670 -1.303 1
1 734 . 3 1 1 A 61 61 GLY CA C 61 45.033 45.417 -0.384 1
1 735 . 3 1 1 A 61 61 GLY N N 61 103.740 103.477 0.263 1
1 736 . 3 1 1 A 62 62 ALA H H 62 8.024 8.592 -0.568 1
1 737 . 3 1 1 A 62 62 ALA HA H 62 4.644 5.290 -0.646 1
1 741 . 3 1 1 A 62 62 ALA C C 62 176.226 175.746 0.480 1
1 742 . 3 1 1 A 62 62 ALA CA C 62 50.839 51.155 -0.316 1
1 743 . 3 1 1 A 62 62 ALA CB C 62 23.914 23.539 0.375 1
1 744 . 3 1 1 A 62 62 ALA N N 62 120.249 122.184 -1.935 1
1 745 . 3 1 1 A 63 63 ILE H H 63 8.810 8.520 0.290 1
1 746 . 3 1 1 A 63 63 ILE HA H 63 4.119 4.798 -0.679 1
1 756 . 3 1 1 A 63 63 ILE C C 63 174.724 175.511 -0.787 1
1 757 . 3 1 1 A 63 63 ILE CA C 63 60.757 60.574 0.183 1
1 758 . 3 1 1 A 63 63 ILE CB C 63 40.319 40.523 -0.204 1
1 762 . 3 1 1 A 63 63 ILE N N 63 122.110 120.119 1.991 1
1 763 . 3 1 1 A 64 64 HIS H H 64 9.073 9.151 -0.078 1
1 764 . 3 1 1 A 64 64 HIS HA H 64 3.948 4.479 -0.531 1
1 769 . 3 1 1 A 64 64 HIS C C 64 176.529 175.169 1.360 1
1 770 . 3 1 1 A 64 64 HIS CA C 64 54.951 57.482 -2.531 1
1 771 . 3 1 1 A 64 64 HIS CB C 64 30.494 30.777 -0.283 1
1 774 . 3 1 1 A 64 64 HIS N N 64 129.092 128.041 1.051 1
1 775 . 3 1 1 A 65 65 LEU H H 65 7.770 7.678 0.092 1
1 776 . 3 1 1 A 65 65 LEU HA H 65 4.074 4.378 -0.304 1
1 786 . 3 1 1 A 65 65 LEU C C 65 176.808 176.772 0.036 1
1 787 . 3 1 1 A 65 65 LEU CA C 65 54.951 54.208 0.743 1
1 788 . 3 1 1 A 65 65 LEU CB C 65 42.667 42.712 -0.045 1
1 792 . 3 1 1 A 65 65 LEU N N 65 124.760 128.035 -3.275 1
1 793 . 3 1 1 A 66 66 ARG H H 66 6.515 7.218 -0.703 1
1 794 . 3 1 1 A 66 66 ARG HA H 66 4.085 3.756 0.329 1
1 801 . 3 1 1 A 66 66 ARG C C 66 178.638 177.434 1.204 1
1 802 . 3 1 1 A 66 66 ARG CA C 66 58.092 59.446 -1.354 1
1 803 . 3 1 1 A 66 66 ARG CB C 66 29.525 29.717 -0.192 1
1 806 . 3 1 1 A 66 66 ARG N N 66 120.462 119.656 0.806 1
1 807 . 3 1 1 A 67 67 GLY H H 67 9.300 7.671 1.629 1
1 808 . 3 1 1 A 67 67 GLY HA2 H 67 4.045 3.937 0.108 1
1 809 . 3 1 1 A 67 67 GLY HA3 H 67 3.826 3.974 -0.148 1
1 810 . 3 1 1 A 67 67 GLY C C 67 173.996 173.990 0.006 1
1 811 . 3 1 1 A 67 67 GLY CA C 67 46.162 45.858 0.304 1
1 812 . 3 1 1 A 67 67 GLY N N 67 118.040 105.949 12.091 1
1 813 . 3 1 1 A 68 68 CYS H H 68 7.789 7.424 0.365 1
1 814 . 3 1 1 A 68 68 CYS HA H 68 4.779 4.685 0.094 1
1 817 . 3 1 1 A 68 68 CYS C C 68 173.148 173.520 -0.372 1
1 818 . 3 1 1 A 68 68 CYS CA C 68 57.545 57.495 0.050 1
1 819 . 3 1 1 A 68 68 CYS CB C 68 28.644 29.916 -1.272 1
1 820 . 3 1 1 A 68 68 CYS N N 68 116.032 117.616 -1.584 1
1 821 . 3 1 1 A 69 69 VAL H H 69 8.665 9.756 -1.091 1
1 822 . 3 1 1 A 69 69 VAL HA H 69 4.364 4.816 -0.452 1
1 830 . 3 1 1 A 69 69 VAL C C 69 174.154 174.637 -0.483 1
1 831 . 3 1 1 A 69 69 VAL CA C 69 61.464 60.690 0.774 1
1 832 . 3 1 1 A 69 69 VAL CB C 69 35.041 35.994 -0.953 1
1 835 . 3 1 1 A 69 69 VAL N N 69 120.327 120.382 -0.055 1
1 836 . 3 1 1 A 70 70 VAL H H 70 8.656 8.676 -0.020 1
1 837 . 3 1 1 A 70 70 VAL HA H 70 5.543 5.012 0.531 1
1 845 . 3 1 1 A 70 70 VAL C C 70 174.105 175.268 -1.163 1
1 846 . 3 1 1 A 70 70 VAL CA C 70 59.028 61.233 -2.205 1
1 847 . 3 1 1 A 70 70 VAL CB C 70 34.237 33.497 0.740 1
1 850 . 3 1 1 A 70 70 VAL N N 70 124.719 125.947 -1.228 1
1 851 . 3 1 1 A 71 71 THR H H 71 8.883 8.647 0.236 1
1 852 . 3 1 1 A 71 71 THR HA H 71 4.724 4.771 -0.047 1
1 857 . 3 1 1 A 71 71 THR C C 71 173.087 172.016 1.071 1
1 858 . 3 1 1 A 71 71 THR CA C 71 59.875 60.594 -0.719 1
1 859 . 3 1 1 A 71 71 THR CB C 71 71.290 70.199 1.091 1
1 861 . 3 1 1 A 71 71 THR N N 71 120.107 120.283 -0.176 1
1 862 . 3 1 1 A 72 72 SER H H 72 8.706 8.695 0.011 1
1 863 . 3 1 1 A 72 72 SER HA H 72 4.455 5.366 -0.911 1
1 866 . 3 1 1 A 72 72 SER C C 72 174.082 174.433 -0.351 1
1 867 . 3 1 1 A 72 72 SER CA C 72 59.204 57.231 1.973 1
1 868 . 3 1 1 A 72 72 SER CB C 72 63.476 66.021 -2.545 1
1 869 . 3 1 1 A 72 72 SER N N 72 120.128 119.466 0.662 1
1 870 . 3 1 1 A 73 73 VAL H H 73 7.825 8.710 -0.885 1
1 871 . 3 1 1 A 73 73 VAL HA H 73 4.302 4.788 -0.486 1
1 879 . 3 1 1 A 73 73 VAL C C 73 175.160 174.605 0.555 1
1 880 . 3 1 1 A 73 73 VAL CA C 73 62.010 60.390 1.620 1
1 881 . 3 1 1 A 73 73 VAL CB C 73 33.579 33.267 0.312 1
1 884 . 3 1 1 A 73 73 VAL N N 73 125.377 118.326 7.051 1
1 885 . 3 1 1 A 74 74 GLU H H 74 8.706 8.677 0.029 1
1 886 . 3 1 1 A 74 74 GLU HA H 74 4.544 4.790 -0.246 1
1 891 . 3 1 1 A 74 74 GLU C C 74 176.420 175.052 1.368 1
1 892 . 3 1 1 A 74 74 GLU CA C 74 55.622 55.496 0.126 1
1 893 . 3 1 1 A 74 74 GLU CB C 74 30.741 29.901 0.840 1
1 895 . 3 1 1 A 74 74 GLU N N 74 126.564 121.916 4.648 1
1 896 . 3 1 1 A 75 75 SER H H 75 8.639 8.772 -0.133 1
1 897 . 3 1 1 A 75 75 SER HA H 75 4.447 5.261 -0.814 1
1 900 . 3 1 1 A 75 75 SER C C 75 174.299 172.983 1.316 1
1 901 . 3 1 1 A 75 75 SER CA C 75 58.339 58.001 0.338 1
1 902 . 3 1 1 A 75 75 SER CB C 75 64.170 64.537 -0.367 1
1 903 . 3 1 1 A 75 75 SER N N 75 117.961 120.578 -2.617 1
1 904 . 3 1 1 A 76 76 ASN H H 76 8.672 8.953 -0.281 1
1 905 . 3 1 1 A 76 76 ASN HA H 76 4.795 5.646 -0.851 1
1 910 . 3 1 1 A 76 76 ASN C C 76 175.584 173.712 1.872 1
1 911 . 3 1 1 A 76 76 ASN CA C 76 53.292 51.936 1.356 1
1 912 . 3 1 1 A 76 76 ASN CB C 76 39.089 41.447 -2.358 1
1 913 . 3 1 1 A 76 76 ASN N N 76 121.138 124.147 -3.009 1
1 915 . 3 1 1 A 78 78 ASN HA H 78 4.635 5.125 -0.490 1
1 920 . 3 1 1 A 78 78 ASN C C 78 175.681 174.306 1.375 1
1 921 . 3 1 1 A 78 78 ASN CA C 78 53.610 52.897 0.713 1
1 922 . 3 1 1 A 78 78 ASN CB C 78 38.496 41.167 -2.671 1
1 924 . 3 1 1 A 79 79 GLY H H 79 8.356 8.447 -0.091 1
1 925 . 3 1 1 A 79 79 GLY HA2 H 79 3.821 4.094 -0.273 1
1 926 . 3 1 1 A 79 79 GLY HA3 H 79 4.011 4.094 -0.083 1
1 927 . 3 1 1 A 79 79 GLY C C 79 174.154 175.629 -1.475 1
1 928 . 3 1 1 A 79 79 GLY CA C 79 45.563 44.380 1.183 1
1 929 . 3 1 1 A 79 79 GLY N N 79 108.284 110.432 -2.148 1
1 930 . 3 1 1 A 80 80 ARG H H 80 7.919 8.661 -0.742 1
1 931 . 3 1 1 A 80 80 ARG HA H 80 4.344 3.954 0.390 1
1 938 . 3 1 1 A 80 80 ARG C C 80 176.117 177.287 -1.170 1
1 939 . 3 1 1 A 80 80 ARG CA C 80 55.905 59.420 -3.515 1
1 940 . 3 1 1 A 80 80 ARG CB C 80 30.782 30.272 0.510 1
1 943 . 3 1 1 A 80 80 ARG N N 80 120.470 121.785 -1.315 1
1 944 . 3 1 1 A 81 81 LYS H H 81 8.427 7.718 0.709 1
1 945 . 3 1 1 A 81 81 LYS HA H 81 4.350 4.209 0.141 1
1 954 . 3 1 1 A 81 81 LYS C C 81 176.808 175.892 0.916 1
1 955 . 3 1 1 A 81 81 LYS CA C 81 56.416 56.949 -0.533 1
1 956 . 3 1 1 A 81 81 LYS CB C 81 32.797 32.770 0.027 1
1 960 . 3 1 1 A 81 81 LYS N N 81 122.963 118.931 4.032 1
1 961 . 3 1 1 A 82 82 SER H H 82 8.440 8.647 -0.207 1
1 962 . 3 1 1 A 82 82 SER HA H 82 4.380 4.894 -0.514 1
1 965 . 3 1 1 A 82 82 SER C C 82 174.833 174.477 0.356 1
1 966 . 3 1 1 A 82 82 SER CA C 82 58.763 57.160 1.603 1
1 967 . 3 1 1 A 82 82 SER CB C 82 63.723 63.846 -0.123 1
1 968 . 3 1 1 A 82 82 SER N N 82 118.053 121.346 -3.293 1
1 969 . 3 1 1 A 83 83 GLU H H 83 8.648 8.119 0.529 1
1 970 . 3 1 1 A 83 83 GLU HA H 83 4.233 4.269 -0.036 1
1 975 . 3 1 1 A 83 83 GLU C C 83 176.311 177.008 -0.697 1
1 976 . 3 1 1 A 83 83 GLU CA C 83 57.104 58.714 -1.610 1
1 977 . 3 1 1 A 83 83 GLU CB C 83 29.795 30.474 -0.679 1
1 979 . 3 1 1 A 83 83 GLU N N 83 121.793 126.060 -4.267 1
1 980 . 3 1 1 A 84 84 GLU H H 84 8.088 7.964 0.124 1
1 981 . 3 1 1 A 84 84 GLU HA H 84 4.161 4.438 -0.277 1
1 986 . 3 1 1 A 84 84 GLU C C 84 175.523 175.341 0.182 1
1 987 . 3 1 1 A 84 84 GLU CA C 84 56.275 54.941 1.334 1
1 988 . 3 1 1 A 84 84 GLU CB C 84 30.165 32.332 -2.167 1
1 990 . 3 1 1 A 84 84 GLU N N 84 119.385 117.523 1.862 1
1 991 . 3 1 1 A 85 85 GLU H H 85 7.907 8.326 -0.419 1
1 992 . 3 1 1 A 85 85 GLU HA H 85 4.350 4.493 -0.143 1
1 997 . 3 1 1 A 85 85 GLU C C 85 175.002 175.917 -0.915 1
1 998 . 3 1 1 A 85 85 GLU CA C 85 55.569 55.715 -0.146 1
1 999 . 3 1 1 A 85 85 GLU CB C 85 32.098 31.030 1.068 1
1 1001 . 3 1 1 A 85 85 GLU N N 85 120.414 123.939 -3.525 1
1 1002 . 3 1 1 A 86 86 ASN H H 86 8.569 8.502 0.067 1
1 1003 . 3 1 1 A 86 86 ASN HA H 86 4.225 5.088 -0.863 1
1 1008 . 3 1 1 A 86 86 ASN C C 86 175.147 174.367 0.780 1
1 1009 . 3 1 1 A 86 86 ASN CA C 86 54.068 52.992 1.076 1
1 1010 . 3 1 1 A 86 86 ASN CB C 86 38.185 39.179 -0.994 1
1 1011 . 3 1 1 A 86 86 ASN N N 86 114.602 118.770 -4.168 1
1 1013 . 3 1 1 A 87 87 LEU H H 87 8.483 9.063 -0.580 1
1 1014 . 3 1 1 A 87 87 LEU HA H 87 5.186 5.441 -0.255 1
1 1024 . 3 1 1 A 87 87 LEU C C 87 178.480 175.670 2.810 1
1 1025 . 3 1 1 A 87 87 LEU CA C 87 55.128 53.177 1.951 1
1 1026 . 3 1 1 A 87 87 LEU CB C 87 44.559 45.920 -1.361 1
1 1030 . 3 1 1 A 87 87 LEU N N 87 121.334 125.040 -3.706 1
1 1031 . 3 1 1 A 88 88 PHE H H 88 9.512 8.139 1.373 1
1 1032 . 3 1 1 A 88 88 PHE HA H 88 5.156 5.125 0.031 1
1 1040 . 3 1 1 A 88 88 PHE C C 88 170.288 172.270 -1.982 1
1 1041 . 3 1 1 A 88 88 PHE CA C 88 56.787 55.828 0.959 1
1 1042 . 3 1 1 A 88 88 PHE CB C 88 41.763 41.687 0.076 1
1 1048 . 3 1 1 A 88 88 PHE N N 88 119.324 117.157 2.167 1
1 1049 . 3 1 1 A 89 89 GLU H H 89 9.028 8.949 0.079 1
1 1050 . 3 1 1 A 89 89 GLU HA H 89 5.293 5.148 0.145 1
1 1055 . 3 1 1 A 89 89 GLU C C 89 175.245 175.085 0.160 1
1 1056 . 3 1 1 A 89 89 GLU CA C 89 53.433 55.301 -1.868 1
1 1057 . 3 1 1 A 89 89 GLU CB C 89 34.566 31.602 2.964 1
1 1059 . 3 1 1 A 89 89 GLU N N 89 121.829 120.296 1.533 1
1 1060 . 3 1 1 A 90 90 ILE H H 90 8.655 8.473 0.182 1
1 1061 . 3 1 1 A 90 90 ILE HA H 90 4.793 4.716 0.077 1
1 1071 . 3 1 1 A 90 90 ILE C C 90 174.808 175.160 -0.352 1
1 1072 . 3 1 1 A 90 90 ILE CA C 90 59.857 60.426 -0.569 1
1 1073 . 3 1 1 A 90 90 ILE CB C 90 41.886 40.034 1.852 1
1 1077 . 3 1 1 A 90 90 ILE N N 90 123.446 126.169 -2.723 1
1 1078 . 3 1 1 A 91 91 ILE H H 91 9.199 8.787 0.412 1
1 1079 . 3 1 1 A 91 91 ILE HA H 91 4.724 4.635 0.089 1
1 1089 . 3 1 1 A 91 91 ILE C C 91 177.898 175.823 2.075 1
1 1090 . 3 1 1 A 91 91 ILE CA C 91 60.211 60.734 -0.523 1
1 1091 . 3 1 1 A 91 91 ILE CB C 91 39.043 37.862 1.181 1
1 1095 . 3 1 1 A 91 91 ILE N N 91 126.827 128.881 -2.054 1
1 1096 . 3 1 1 A 92 92 THR H H 92 9.086 8.099 0.987 1
1 1097 . 3 1 1 A 92 92 THR HA H 92 4.314 4.843 -0.529 1
1 1102 . 3 1 1 A 92 92 THR C C 92 176.857 176.134 0.723 1
1 1103 . 3 1 1 A 92 92 THR CA C 92 61.693 59.688 2.005 1
1 1104 . 3 1 1 A 92 92 THR CB C 92 70.920 72.419 -1.499 1
1 1106 . 3 1 1 A 92 92 THR N N 92 117.131 116.182 0.949 1
1 1107 . 3 1 1 A 93 93 ALA H H 93 9.192 9.061 0.131 1
1 1108 . 3 1 1 A 93 93 ALA HA H 93 4.101 4.293 -0.192 1
1 1112 . 3 1 1 A 93 93 ALA C C 93 178.008 178.111 -0.103 1
1 1113 . 3 1 1 A 93 93 ALA CA C 93 54.634 54.785 -0.151 1
1 1114 . 3 1 1 A 93 93 ALA CB C 93 18.198 18.536 -0.338 1
1 1115 . 3 1 1 A 93 93 ALA N N 93 123.540 124.180 -0.640 1
1 1116 . 3 1 1 A 94 94 ASP H H 94 7.979 7.861 0.118 1
1 1117 . 3 1 1 A 94 94 ASP HA H 94 4.724 4.759 -0.035 1
1 1120 . 3 1 1 A 94 94 ASP C C 94 174.324 175.830 -1.506 1
1 1121 . 3 1 1 A 94 94 ASP CA C 94 53.098 53.876 -0.778 1
1 1122 . 3 1 1 A 94 94 ASP CB C 94 39.336 41.082 -1.746 1
1 1123 . 3 1 1 A 94 94 ASP N N 94 113.209 117.319 -4.110 1
1 1124 . 3 1 1 A 95 95 GLU H H 95 8.152 8.888 -0.736 1
1 1125 . 3 1 1 A 95 95 GLU HA H 95 3.430 3.811 -0.381 1
1 1130 . 3 1 1 A 95 95 GLU C C 95 174.578 175.459 -0.881 1
1 1131 . 3 1 1 A 95 95 GLU CA C 95 57.687 57.994 -0.307 1
1 1132 . 3 1 1 A 95 95 GLU CB C 95 26.300 27.502 -1.202 1
1 1134 . 3 1 1 A 95 95 GLU N N 95 114.010 116.837 -2.827 1
1 1135 . 3 1 1 A 96 96 VAL H H 96 7.595 7.286 0.309 1
1 1136 . 3 1 1 A 96 96 VAL HA H 96 4.063 3.854 0.209 1
1 1144 . 3 1 1 A 96 96 VAL C C 96 175.293 175.072 0.221 1
1 1145 . 3 1 1 A 96 96 VAL CA C 96 62.751 63.010 -0.259 1
1 1146 . 3 1 1 A 96 96 VAL CB C 96 31.440 31.584 -0.144 1
1 1149 . 3 1 1 A 96 96 VAL N N 96 120.925 120.491 0.434 1
1 1150 . 3 1 1 A 97 97 HIS H H 97 8.603 9.034 -0.431 1
1 1151 . 3 1 1 A 97 97 HIS HA H 97 5.234 5.141 0.093 1
1 1156 . 3 1 1 A 97 97 HIS C C 97 174.348 173.515 0.833 1
1 1157 . 3 1 1 A 97 97 HIS CA C 97 54.404 54.030 0.374 1
1 1158 . 3 1 1 A 97 97 HIS CB C 97 30.536 32.225 -1.689 1
1 1161 . 3 1 1 A 97 97 HIS N N 97 124.160 126.779 -2.619 1
1 1162 . 3 1 1 A 98 98 TYR H H 98 9.267 8.754 0.513 1
1 1163 . 3 1 1 A 98 98 TYR HA H 98 4.532 4.759 -0.227 1
1 1170 . 3 1 1 A 98 98 TYR C C 98 173.621 174.515 -0.894 1
1 1171 . 3 1 1 A 98 98 TYR CA C 98 57.122 56.460 0.662 1
1 1172 . 3 1 1 A 98 98 TYR CB C 98 41.228 42.529 -1.301 1
1 1177 . 3 1 1 A 98 98 TYR N N 98 121.543 119.891 1.652 1
1 1178 . 3 1 1 A 99 99 PHE H H 99 8.861 9.067 -0.206 1
1 1179 . 3 1 1 A 99 99 PHE HA H 99 4.983 5.230 -0.247 1
1 1186 . 3 1 1 A 99 99 PHE C C 99 173.754 174.630 -0.876 1
1 1187 . 3 1 1 A 99 99 PHE CA C 99 57.705 56.709 0.996 1
1 1188 . 3 1 1 A 99 99 PHE CB C 99 41.516 40.146 1.370 1
1 1193 . 3 1 1 A 99 99 PHE N N 99 121.699 122.352 -0.653 1
1 1194 . 3 1 1 A 100 100 LEU H H 100 8.529 8.335 0.194 1
1 1195 . 3 1 1 A 100 100 LEU HA H 100 5.345 5.350 -0.005 1
1 1205 . 3 1 1 A 100 100 LEU C C 100 174.942 174.751 0.191 1
1 1206 . 3 1 1 A 100 100 LEU CA C 100 52.781 52.739 0.042 1
1 1207 . 3 1 1 A 100 100 LEU CB C 100 44.518 43.878 0.640 1
1 1211 . 3 1 1 A 100 100 LEU N N 100 123.519 124.519 -1.000 1
1 1212 . 3 1 1 A 101 101 GLN H H 101 8.717 8.911 -0.194 1
1 1213 . 3 1 1 A 101 101 GLN HA H 101 4.886 4.972 -0.086 1
1 1220 . 3 1 1 A 101 101 GLN C C 101 175.390 174.517 0.873 1
1 1221 . 3 1 1 A 101 101 GLN CA C 101 54.934 54.234 0.700 1
1 1222 . 3 1 1 A 101 101 GLN CB C 101 32.222 30.920 1.302 1
1 1224 . 3 1 1 A 101 101 GLN N N 101 117.786 124.454 -6.668 1
1 1226 . 3 1 1 A 102 102 ALA H H 102 8.256 9.762 -1.506 1
1 1227 . 3 1 1 A 102 102 ALA HA H 102 4.862 4.815 0.047 1
1 1231 . 3 1 1 A 102 102 ALA C C 102 176.008 178.147 -2.139 1
1 1232 . 3 1 1 A 102 102 ALA CA C 102 50.098 51.151 -1.053 1
1 1233 . 3 1 1 A 102 102 ALA CB C 102 21.606 20.536 1.070 1
1 1234 . 3 1 1 A 102 102 ALA N N 102 128.068 129.743 -1.675 1
1 1235 . 3 1 1 A 103 103 ALA H H 103 9.255 8.887 0.368 1
1 1236 . 3 1 1 A 103 103 ALA HA H 103 4.247 4.078 0.169 1
1 1240 . 3 1 1 A 103 103 ALA C C 103 178.153 177.785 0.368 1
1 1241 . 3 1 1 A 103 103 ALA CA C 103 54.369 55.915 -1.546 1
1 1242 . 3 1 1 A 103 103 ALA CB C 103 20.377 18.682 1.695 1
1 1243 . 3 1 1 A 103 103 ALA N N 103 120.410 125.747 -5.337 1
1 1244 . 3 1 1 A 104 104 THR H H 104 7.149 7.858 -0.709 1
1 1245 . 3 1 1 A 104 104 THR HA H 104 4.846 4.774 0.072 1
1 1250 . 3 1 1 A 104 104 THR C C 104 173.354 173.706 -0.352 1
1 1251 . 3 1 1 A 104 104 THR CA C 104 57.810 59.201 -1.391 1
1 1252 . 3 1 1 A 104 104 THR CB C 104 71.496 70.292 1.204 1
1 1254 . 3 1 1 A 104 104 THR N N 104 103.106 109.033 -5.927 1
1 1255 . 3 1 1 A 105 105 PRO HA H 105 4.225 4.605 -0.380 1
1 1262 . 3 1 1 A 105 105 PRO C C 105 179.704 178.128 1.576 1
1 1263 . 3 1 1 A 105 105 PRO CA C 105 65.046 64.258 0.788 1
1 1264 . 3 1 1 A 105 105 PRO CB C 105 31.775 31.968 -0.193 1
1 1267 . 3 1 1 A 106 106 LYS H H 106 7.764 7.603 0.161 1
1 1268 . 3 1 1 A 106 106 LYS HA H 106 4.036 4.075 -0.039 1
1 1277 . 3 1 1 A 106 106 LYS C C 106 177.959 178.642 -0.683 1
1 1278 . 3 1 1 A 106 106 LYS CA C 106 59.452 59.557 -0.105 1
1 1279 . 3 1 1 A 106 106 LYS CB C 106 32.797 32.252 0.545 1
1 1283 . 3 1 1 A 106 106 LYS N N 106 119.261 118.746 0.515 1
1 1284 . 3 1 1 A 107 107 GLU H H 107 8.005 7.907 0.098 1
1 1285 . 3 1 1 A 107 107 GLU HA H 107 4.171 3.955 0.216 1
1 1290 . 3 1 1 A 107 107 GLU C C 107 178.529 178.772 -0.243 1
1 1291 . 3 1 1 A 107 107 GLU CA C 107 59.310 59.681 -0.371 1
1 1292 . 3 1 1 A 107 107 GLU CB C 107 31.111 29.207 1.904 1
1 1294 . 3 1 1 A 107 107 GLU N N 107 119.293 118.928 0.365 1
1 1295 . 3 1 1 A 108 108 ARG H H 108 7.810 7.589 0.221 1
1 1296 . 3 1 1 A 108 108 ARG HA H 108 3.603 4.434 -0.831 1
1 1303 . 3 1 1 A 108 108 ARG C C 108 176.287 178.854 -2.567 1
1 1304 . 3 1 1 A 108 108 ARG CA C 108 60.598 59.122 1.476 1
1 1305 . 3 1 1 A 108 108 ARG CB C 108 29.548 30.298 -0.750 1
1 1308 . 3 1 1 A 108 108 ARG N N 108 118.989 119.576 -0.587 1
1 1309 . 3 1 1 A 109 109 THR H H 109 8.195 7.626 0.569 1
1 1310 . 3 1 1 A 109 109 THR HA H 109 3.645 3.866 -0.221 1
1 1315 . 3 1 1 A 109 109 THR C C 109 176.227 176.899 -0.672 1
1 1316 . 3 1 1 A 109 109 THR CA C 109 67.022 67.074 -0.052 1
1 1317 . 3 1 1 A 109 109 THR CB C 109 68.576 68.260 0.316 1
1 1319 . 3 1 1 A 109 109 THR N N 109 115.975 116.241 -0.266 1
1 1320 . 3 1 1 A 110 110 GLU H H 110 8.274 8.338 -0.064 1
1 1321 . 3 1 1 A 110 110 GLU HA H 110 3.794 3.877 -0.083 1
1 1326 . 3 1 1 A 110 110 GLU C C 110 180.516 179.475 1.041 1
1 1327 . 3 1 1 A 110 110 GLU CA C 110 59.534 59.817 -0.283 1
1 1328 . 3 1 1 A 110 110 GLU CB C 110 29.507 29.296 0.211 1
1 1330 . 3 1 1 A 110 110 GLU N N 110 119.565 119.909 -0.344 1
1 1331 . 3 1 1 A 111 111 TRP H H 111 8.316 9.176 -0.860 1
1 1332 . 3 1 1 A 111 111 TRP HA H 111 3.912 4.289 -0.377 1
1 1341 . 3 1 1 A 111 111 TRP C C 111 178.020 178.490 -0.470 1
1 1342 . 3 1 1 A 111 111 TRP CA C 111 62.464 60.115 2.349 1
1 1343 . 3 1 1 A 111 111 TRP CB C 111 29.548 29.497 0.051 1
1 1349 . 3 1 1 A 111 111 TRP N N 111 120.868 120.562 0.306 1
1 1351 . 3 1 1 A 112 112 ILE H H 112 8.271 7.766 0.505 1
1 1352 . 3 1 1 A 112 112 ILE HA H 112 3.254 3.488 -0.234 1
1 1362 . 3 1 1 A 112 112 ILE C C 112 177.669 177.875 -0.206 1
1 1363 . 3 1 1 A 112 112 ILE CA C 112 67.040 64.982 2.058 1
1 1364 . 3 1 1 A 112 112 ILE CB C 112 37.856 37.469 0.387 1
1 1368 . 3 1 1 A 112 112 ILE N N 112 118.862 119.643 -0.781 1
1 1369 . 3 1 1 A 113 113 LYS H H 113 8.042 8.018 0.024 1
1 1370 . 3 1 1 A 113 113 LYS HA H 113 3.991 3.999 -0.008 1
1 1379 . 3 1 1 A 113 113 LYS C C 113 178.977 178.983 -0.006 1
1 1380 . 3 1 1 A 113 113 LYS CA C 113 59.328 59.372 -0.044 1
1 1381 . 3 1 1 A 113 113 LYS CB C 113 32.345 32.010 0.335 1
1 1385 . 3 1 1 A 113 113 LYS N N 113 117.182 119.850 -2.668 1
1 1386 . 3 1 1 A 114 114 ALA H H 114 7.686 8.782 -1.096 1
1 1387 . 3 1 1 A 114 114 ALA HA H 114 4.058 4.027 0.031 1
1 1391 . 3 1 1 A 114 114 ALA C C 114 179.849 179.904 -0.055 1
1 1392 . 3 1 1 A 114 114 ALA CA C 114 55.146 55.168 -0.022 1
1 1393 . 3 1 1 A 114 114 ALA CB C 114 18.362 18.587 -0.225 1
1 1394 . 3 1 1 A 114 114 ALA N N 114 120.689 121.762 -1.073 1
1 1395 . 3 1 1 A 115 115 ILE H H 115 8.594 8.839 -0.245 1
1 1396 . 3 1 1 A 115 115 ILE HA H 115 3.534 3.603 -0.069 1
1 1406 . 3 1 1 A 115 115 ILE C C 115 178.432 178.117 0.315 1
1 1407 . 3 1 1 A 115 115 ILE CA C 115 66.016 65.395 0.621 1
1 1408 . 3 1 1 A 115 115 ILE CB C 115 38.390 37.921 0.469 1
1 1412 . 3 1 1 A 115 115 ILE N N 115 118.898 117.898 1.000 1
1 1413 . 3 1 1 A 116 116 GLN H H 116 8.732 8.374 0.358 1
1 1414 . 3 1 1 A 116 116 GLN HA H 116 3.851 4.266 -0.415 1
1 1421 . 3 1 1 A 116 116 GLN C C 116 179.655 178.464 1.191 1
1 1422 . 3 1 1 A 116 116 GLN CA C 116 59.575 58.868 0.707 1
1 1423 . 3 1 1 A 116 116 GLN CB C 116 28.222 28.589 -0.367 1
1 1425 . 3 1 1 A 116 116 GLN N N 116 119.877 118.620 1.257 1
1 1427 . 3 1 1 A 117 117 MET H H 117 8.279 8.619 -0.340 1
1 1428 . 3 1 1 A 117 117 MET HA H 117 4.155 4.023 0.132 1
1 1436 . 3 1 1 A 117 117 MET C C 117 179.123 177.914 1.209 1
1 1437 . 3 1 1 A 117 117 MET CA C 117 58.658 58.325 0.333 1
1 1438 . 3 1 1 A 117 117 MET CB C 117 31.934 32.300 -0.366 1
1 1441 . 3 1 1 A 117 117 MET N N 117 118.855 119.405 -0.550 1
1 1442 . 3 1 1 A 118 118 ALA H H 118 8.266 7.642 0.624 1
1 1443 . 3 1 1 A 118 118 ALA HA H 118 4.240 4.051 0.189 1
1 1447 . 3 1 1 A 118 118 ALA C C 118 178.820 179.667 -0.847 1
1 1448 . 3 1 1 A 118 118 ALA CA C 118 54.604 55.113 -0.509 1
1 1449 . 3 1 1 A 118 118 ALA CB C 118 18.627 18.897 -0.270 1
1 1450 . 3 1 1 A 118 118 ALA N N 118 121.702 122.012 -0.310 1
1 1451 . 3 1 1 A 119 119 SER H H 119 8.073 8.960 -0.887 1
1 1452 . 3 1 1 A 119 119 SER HA H 119 4.027 4.202 -0.175 1
1 1455 . 3 1 1 A 119 119 SER C C 119 174.663 177.134 -2.471 1
1 1456 . 3 1 1 A 119 119 SER CA C 119 60.122 61.806 -1.684 1
1 1457 . 3 1 1 A 119 119 SER CB C 119 64.299 62.734 1.565 1
1 1458 . 3 1 1 A 119 119 SER N N 119 110.080 112.543 -2.463 1
1 1459 . 3 1 1 A 120 120 ARG H H 120 7.345 8.647 -1.302 1
1 1460 . 3 1 1 A 120 120 ARG HA H 120 4.383 4.111 0.272 1
1 1467 . 3 1 1 A 120 120 ARG C C 120 176.372 176.950 -0.578 1
1 1468 . 3 1 1 A 120 120 ARG CA C 120 56.681 59.310 -2.629 1
1 1469 . 3 1 1 A 120 120 ARG CB C 120 30.248 29.733 0.515 1
1 1472 . 3 1 1 A 120 120 ARG N N 120 120.244 119.827 0.417 1
1 1473 . 3 1 1 A 121 121 THR H H 121 8.070 7.624 0.446 1
1 1474 . 3 1 1 A 121 121 THR HA H 121 4.365 4.182 0.183 1
1 1479 . 3 1 1 A 121 121 THR C C 121 175.281 175.487 -0.206 1
1 1480 . 3 1 1 A 121 121 THR CA C 121 62.557 62.261 0.296 1
1 1481 . 3 1 1 A 121 121 THR CB C 121 70.298 69.502 0.796 1
1 1483 . 3 1 1 A 121 121 THR N N 121 114.024 113.525 0.499 1
1 1484 . 3 1 1 A 122 122 GLY H H 122 8.520 8.729 -0.209 1
1 1485 . 3 1 1 A 122 122 GLY HA2 H 122 4.005 3.838 0.167 1
1 1486 . 3 1 1 A 122 122 GLY HA3 H 122 4.005 3.848 0.157 1
1 1487 . 3 1 1 A 122 122 GLY C C 122 174.118 174.771 -0.653 1
1 1488 . 3 1 1 A 122 122 GLY CA C 122 45.351 46.920 -1.569 1
1 1489 . 3 1 1 A 122 122 GLY N N 122 111.123 113.883 -2.760 1
1 1490 . 3 1 1 A 123 123 LYS H H 123 8.309 8.138 0.171 1
1 1491 . 3 1 1 A 123 123 LYS HA H 123 4.364 3.978 0.386 1
1 1500 . 3 1 1 A 123 123 LYS C C 123 176.772 176.416 0.356 1
1 1501 . 3 1 1 A 123 123 LYS CA C 123 56.310 57.017 -0.707 1
1 1502 . 3 1 1 A 123 123 LYS CB C 123 33.167 31.055 2.112 1
1 1506 . 3 1 1 A 123 123 LYS N N 123 121.100 119.295 1.805 1
1 1507 . 3 1 1 A 124 124 SER H H 124 8.453 8.181 0.272 1
1 1508 . 3 1 1 A 124 124 SER HA H 124 4.489 4.756 -0.267 1
1 1509 . 3 1 1 A 124 124 SER C C 124 174.518 174.424 0.094 1
1 1510 . 3 1 1 A 124 124 SER CA C 124 58.357 59.392 -1.035 1
1 1511 . 3 1 1 A 124 124 SER CB C 124 64.052 66.081 -2.029 1
1 1512 . 3 1 1 A 124 124 SER N N 124 117.316 120.898 -3.582 1
1 1513 . 3 1 1 A 125 125 GLY H H 125 8.278 7.732 0.546 1
1 1514 . 3 1 1 A 125 125 GLY HA2 H 125 4.154 4.060 0.094 1
1 1515 . 3 1 1 A 125 125 GLY HA3 H 125 4.102 4.061 0.041 1
1 1516 . 3 1 1 A 125 125 GLY C C 125 171.827 171.918 -0.091 1
1 1517 . 3 1 1 A 125 125 GLY CA C 125 44.680 45.226 -0.546 1
1 1518 . 3 1 1 A 125 125 GLY N N 125 110.670 104.953 5.717 1
1 1519 . 3 1 1 A 126 126 PRO HA H 126 4.461 4.593 -0.132 1
1 1526 . 3 1 1 A 126 126 PRO C C 126 177.426 176.498 0.928 1
1 1527 . 3 1 1 A 126 126 PRO CA C 126 63.281 62.658 0.623 1
1 1528 . 3 1 1 A 126 126 PRO CB C 126 32.263 32.333 -0.070 1
1 1531 . 3 1 1 A 127 127 SER H H 127 8.556 8.529 0.027 1
1 1532 . 3 1 1 A 127 127 SER HA H 127 4.489 4.693 -0.204 1
1 1535 . 3 1 1 A 127 127 SER C C 127 174.651 174.410 0.241 1
1 1536 . 3 1 1 A 127 127 SER CA C 127 58.410 58.114 0.296 1
1 1537 . 3 1 1 A 127 127 SER CB C 127 63.682 63.937 -0.255 1
1 1538 . 3 1 1 A 127 127 SER N N 127 116.423 118.265 -1.842 1
1 1539 . 3 1 1 A 128 128 SER H H 128 8.313 8.849 -0.536 1
1 1540 . 3 1 1 A 128 128 SER HA H 128 4.489 4.201 0.288 1
1 1543 . 3 1 1 A 128 128 SER C C 128 173.936 175.354 -1.418 1
1 1544 . 3 1 1 A 128 128 SER CA C 128 58.393 59.647 -1.254 1
1 1545 . 3 1 1 A 128 128 SER CB C 128 64.052 63.378 0.674 1
1 1546 . 3 1 1 A 128 128 SER N N 128 117.750 120.885 -3.135 1
1 1 . 4 1 1 A 6 6 SER HA H 6 4.475 4.888 -0.413 1
1 4 . 4 1 1 A 6 6 SER C C 6 174.978 174.446 0.532 1
1 5 . 4 1 1 A 6 6 SER CA C 6 58.657 58.269 0.388 1
1 6 . 4 1 1 A 6 6 SER CB C 6 63.682 64.287 -0.605 1
1 7 . 4 1 1 A 7 7 GLY H H 7 8.385 8.328 0.057 1
1 8 . 4 1 1 A 7 7 GLY HA2 H 7 3.947 4.274 -0.327 1
1 9 . 4 1 1 A 7 7 GLY HA3 H 7 3.947 4.275 -0.328 1
1 10 . 4 1 1 A 7 7 GLY C C 7 173.900 171.540 2.360 1
1 11 . 4 1 1 A 7 7 GLY CA C 7 45.280 46.184 -0.904 1
1 12 . 4 1 1 A 7 7 GLY N N 7 110.753 110.365 0.388 1
1 13 . 4 1 1 A 8 8 VAL H H 8 7.896 8.306 -0.410 1
1 14 . 4 1 1 A 8 8 VAL HA H 8 4.046 4.902 -0.856 1
1 22 . 4 1 1 A 8 8 VAL C C 8 175.948 175.238 0.710 1
1 23 . 4 1 1 A 8 8 VAL CA C 8 62.399 60.100 2.299 1
1 24 . 4 1 1 A 8 8 VAL CB C 8 32.904 35.691 -2.787 1
1 27 . 4 1 1 A 8 8 VAL N N 8 119.771 121.280 -1.509 1
1 28 . 4 1 1 A 9 9 ILE H H 9 8.253 8.567 -0.314 1
1 29 . 4 1 1 A 9 9 ILE HA H 9 4.103 4.109 -0.006 1
1 39 . 4 1 1 A 9 9 ILE C C 9 175.984 175.610 0.374 1
1 40 . 4 1 1 A 9 9 ILE CA C 9 60.657 62.209 -1.552 1
1 41 . 4 1 1 A 9 9 ILE CB C 9 38.349 38.242 0.107 1
1 45 . 4 1 1 A 9 9 ILE N N 9 125.791 125.699 0.092 1
1 46 . 4 1 1 A 10 10 LEU H H 10 8.374 8.603 -0.229 1
1 47 . 4 1 1 A 10 10 LEU HA H 10 4.379 5.029 -0.650 1
1 57 . 4 1 1 A 10 10 LEU C C 10 177.171 176.278 0.893 1
1 58 . 4 1 1 A 10 10 LEU CA C 10 54.598 53.572 1.026 1
1 59 . 4 1 1 A 10 10 LEU CB C 10 42.873 45.123 -2.250 1
1 63 . 4 1 1 A 10 10 LEU N N 10 127.929 127.106 0.823 1
1 64 . 4 1 1 A 11 11 LYS H H 11 8.414 8.761 -0.347 1
1 65 . 4 1 1 A 11 11 LYS HA H 11 4.214 4.405 -0.191 1
1 74 . 4 1 1 A 11 11 LYS C C 11 177.244 176.766 0.478 1
1 75 . 4 1 1 A 11 11 LYS CA C 11 57.051 55.982 1.069 1
1 76 . 4 1 1 A 11 11 LYS CB C 11 33.332 33.357 -0.025 1
1 80 . 4 1 1 A 11 11 LYS N N 11 123.211 127.104 -3.893 1
1 81 . 4 1 1 A 12 12 GLU H H 12 8.629 8.677 -0.048 1
1 82 . 4 1 1 A 12 12 GLU HA H 12 3.745 4.584 -0.839 1
1 87 . 4 1 1 A 12 12 GLU C C 12 177.366 178.601 -1.235 1
1 88 . 4 1 1 A 12 12 GLU CA C 12 59.663 57.124 2.539 1
1 89 . 4 1 1 A 12 12 GLU CB C 12 29.672 31.079 -1.407 1
1 91 . 4 1 1 A 12 12 GLU N N 12 122.998 120.830 2.168 1
1 92 . 4 1 1 A 13 13 GLU H H 13 8.043 8.316 -0.273 1
1 93 . 4 1 1 A 13 13 GLU HA H 13 3.333 4.180 -0.847 1
1 98 . 4 1 1 A 13 13 GLU C C 13 175.451 176.942 -1.491 1
1 99 . 4 1 1 A 13 13 GLU CA C 13 57.634 58.242 -0.608 1
1 100 . 4 1 1 A 13 13 GLU CB C 13 28.567 27.682 0.885 1
1 102 . 4 1 1 A 13 13 GLU N N 13 113.498 118.853 -5.355 1
1 103 . 4 1 1 A 14 14 PHE H H 14 7.483 7.939 -0.456 1
1 104 . 4 1 1 A 14 14 PHE HA H 14 4.650 4.699 -0.049 1
1 112 . 4 1 1 A 14 14 PHE C C 14 175.657 175.849 -0.192 1
1 113 . 4 1 1 A 14 14 PHE CA C 14 56.187 57.183 -0.996 1
1 114 . 4 1 1 A 14 14 PHE CB C 14 39.665 38.558 1.107 1
1 120 . 4 1 1 A 14 14 PHE N N 14 115.879 117.792 -1.913 1
1 121 . 4 1 1 A 15 15 ARG H H 15 7.757 7.869 -0.112 1
1 122 . 4 1 1 A 15 15 ARG HA H 15 4.154 4.608 -0.454 1
1 129 . 4 1 1 A 15 15 ARG C C 15 177.353 175.750 1.603 1
1 130 . 4 1 1 A 15 15 ARG CA C 15 58.092 56.003 2.089 1
1 131 . 4 1 1 A 15 15 ARG CB C 15 31.193 28.554 2.639 1
1 134 . 4 1 1 A 15 15 ARG N N 15 118.945 120.031 -1.086 1
1 135 . 4 1 1 A 16 16 GLY H H 16 8.812 8.171 0.641 1
1 136 . 4 1 1 A 16 16 GLY HA2 H 16 4.194 4.265 -0.071 1
1 137 . 4 1 1 A 16 16 GLY HA3 H 16 3.824 4.284 -0.460 1
1 138 . 4 1 1 A 16 16 GLY C C 16 173.427 171.188 2.239 1
1 139 . 4 1 1 A 16 16 GLY CA C 16 45.157 46.151 -0.994 1
1 140 . 4 1 1 A 16 16 GLY N N 16 109.133 110.205 -1.072 1
1 141 . 4 1 1 A 17 17 VAL H H 17 8.308 8.395 -0.087 1
1 142 . 4 1 1 A 17 17 VAL HA H 17 4.060 5.004 -0.944 1
1 150 . 4 1 1 A 17 17 VAL C C 17 176.469 174.468 2.001 1
1 151 . 4 1 1 A 17 17 VAL CA C 17 62.098 59.293 2.805 1
1 152 . 4 1 1 A 17 17 VAL CB C 17 33.414 35.801 -2.387 1
1 155 . 4 1 1 A 17 17 VAL N N 17 120.815 119.664 1.151 1
1 156 . 4 1 1 A 18 18 ILE H H 18 8.547 8.871 -0.324 1
1 157 . 4 1 1 A 18 18 ILE HA H 18 4.186 4.552 -0.366 1
1 167 . 4 1 1 A 18 18 ILE C C 18 177.208 176.720 0.488 1
1 168 . 4 1 1 A 18 18 ILE CA C 18 63.175 60.619 2.556 1
1 169 . 4 1 1 A 18 18 ILE CB C 18 38.596 38.458 0.138 1
1 173 . 4 1 1 A 18 18 ILE N N 18 125.006 125.539 -0.533 1
1 174 . 4 1 1 A 19 19 ILE H H 19 9.127 8.693 0.434 1
1 175 . 4 1 1 A 19 19 ILE HA H 19 4.461 4.461 0.000 1
1 185 . 4 1 1 A 19 19 ILE C C 19 176.081 175.991 0.090 1
1 186 . 4 1 1 A 19 19 ILE CA C 19 60.298 61.178 -0.880 1
1 187 . 4 1 1 A 19 19 ILE CB C 19 39.665 39.546 0.119 1
1 191 . 4 1 1 A 19 19 ILE N N 19 124.358 120.661 3.697 1
1 192 . 4 1 1 A 20 20 LYS H H 20 7.620 7.704 -0.084 1
1 193 . 4 1 1 A 20 20 LYS HA H 20 4.325 4.651 -0.326 1
1 202 . 4 1 1 A 20 20 LYS C C 20 172.760 174.285 -1.525 1
1 203 . 4 1 1 A 20 20 LYS CA C 20 57.298 55.703 1.595 1
1 204 . 4 1 1 A 20 20 LYS CB C 20 36.458 35.730 0.728 1
1 208 . 4 1 1 A 20 20 LYS N N 20 121.749 121.614 0.135 1
1 209 . 4 1 1 A 21 21 GLN H H 21 8.572 8.745 -0.173 1
1 210 . 4 1 1 A 21 21 GLN HA H 21 5.927 5.728 0.199 1
1 217 . 4 1 1 A 21 21 GLN C C 21 175.124 174.405 0.719 1
1 218 . 4 1 1 A 21 21 GLN CA C 21 54.227 54.562 -0.335 1
1 219 . 4 1 1 A 21 21 GLN CB C 21 33.369 33.111 0.258 1
1 221 . 4 1 1 A 21 21 GLN N N 21 121.653 123.640 -1.987 1
1 223 . 4 1 1 A 22 22 GLY H H 22 9.178 8.444 0.734 1
1 224 . 4 1 1 A 22 22 GLY HA2 H 22 4.904 4.386 0.518 1
1 225 . 4 1 1 A 22 22 GLY HA3 H 22 4.447 4.442 0.005 1
1 226 . 4 1 1 A 22 22 GLY C C 22 172.300 172.318 -0.018 1
1 227 . 4 1 1 A 22 22 GLY CA C 22 45.650 46.331 -0.681 1
1 228 . 4 1 1 A 22 22 GLY N N 22 108.544 106.597 1.947 1
1 229 . 4 1 1 A 23 23 CYS H H 23 9.262 8.718 0.544 1
1 230 . 4 1 1 A 23 23 CYS HA H 23 5.904 5.929 -0.025 1
1 233 . 4 1 1 A 23 23 CYS C C 23 175.293 173.168 2.125 1
1 234 . 4 1 1 A 23 23 CYS CA C 23 59.222 58.030 1.192 1
1 235 . 4 1 1 A 23 23 CYS CB C 23 29.260 31.489 -2.229 1
1 236 . 4 1 1 A 23 23 CYS N N 23 118.575 120.777 -2.202 1
1 237 . 4 1 1 A 24 24 LEU H H 24 9.131 9.966 -0.835 1
1 238 . 4 1 1 A 24 24 LEU HA H 24 4.627 5.048 -0.421 1
1 248 . 4 1 1 A 24 24 LEU C C 24 175.354 175.348 0.006 1
1 249 . 4 1 1 A 24 24 LEU CA C 24 53.963 53.674 0.289 1
1 250 . 4 1 1 A 24 24 LEU CB C 24 47.315 46.046 1.269 1
1 254 . 4 1 1 A 24 24 LEU N N 24 122.880 123.553 -0.673 1
1 255 . 4 1 1 A 25 25 LEU H H 25 7.968 9.010 -1.042 1
1 256 . 4 1 1 A 25 25 LEU HA H 25 5.056 5.118 -0.062 1
1 266 . 4 1 1 A 25 25 LEU C C 25 175.766 175.213 0.553 1
1 267 . 4 1 1 A 25 25 LEU CA C 25 54.810 54.342 0.468 1
1 268 . 4 1 1 A 25 25 LEU CB C 25 44.065 42.269 1.796 1
1 272 . 4 1 1 A 25 25 LEU N N 25 119.755 122.787 -3.032 1
1 273 . 4 1 1 A 26 26 LYS H H 26 9.307 9.027 0.280 1
1 274 . 4 1 1 A 26 26 LYS HA H 26 5.166 4.728 0.438 1
1 283 . 4 1 1 A 26 26 LYS C C 26 175.778 176.179 -0.401 1
1 284 . 4 1 1 A 26 26 LYS CA C 26 54.687 55.792 -1.105 1
1 285 . 4 1 1 A 26 26 LYS CB C 26 37.033 33.832 3.201 1
1 289 . 4 1 1 A 26 26 LYS N N 26 122.635 126.534 -3.899 1
1 290 . 4 1 1 A 27 27 GLN H H 27 8.228 8.272 -0.044 1
1 291 . 4 1 1 A 27 27 GLN HA H 27 3.839 4.435 -0.596 1
1 298 . 4 1 1 A 27 27 GLN C C 27 176.869 175.231 1.638 1
1 299 . 4 1 1 A 27 27 GLN CA C 27 55.922 54.795 1.127 1
1 300 . 4 1 1 A 27 27 GLN CB C 27 29.589 30.391 -0.802 1
1 302 . 4 1 1 A 27 27 GLN N N 27 132.145 125.298 6.847 1
1 304 . 4 1 1 A 28 28 GLY H H 28 8.434 8.197 0.237 1
1 305 . 4 1 1 A 28 28 GLY HA2 H 28 4.144 4.053 0.091 1
1 306 . 4 1 1 A 28 28 GLY HA3 H 28 3.999 4.133 -0.134 1
1 307 . 4 1 1 A 28 28 GLY CA C 28 45.457 44.750 0.707 1
1 308 . 4 1 1 A 28 28 GLY N N 28 114.691 108.401 6.290 1
1 309 . 4 1 1 A 29 29 HIS HA H 29 4.352 4.585 -0.233 1
1 314 . 4 1 1 A 29 29 HIS CA C 29 58.505 54.692 3.813 1
1 315 . 4 1 1 A 29 29 HIS CB C 29 30.967 29.086 1.881 1
1 318 . 4 1 1 A 30 30 ARG HA H 30 4.114 4.329 -0.215 1
1 325 . 4 1 1 A 30 30 ARG CA C 30 56.429 55.287 1.142 1
1 326 . 4 1 1 A 30 30 ARG CB C 30 29.591 31.872 -2.281 1
1 329 . 4 1 1 A 31 31 ARG HA H 31 3.774 4.128 -0.354 1
1 336 . 4 1 1 A 31 31 ARG C C 31 175.536 175.335 0.201 1
1 337 . 4 1 1 A 31 31 ARG CA C 31 55.922 58.387 -2.465 1
1 338 . 4 1 1 A 31 31 ARG CB C 31 29.302 29.455 -0.153 1
1 341 . 4 1 1 A 32 32 LYS H H 32 8.011 8.743 -0.732 1
1 342 . 4 1 1 A 32 32 LYS HA H 32 4.164 4.068 0.096 1
1 351 . 4 1 1 A 32 32 LYS C C 32 175.741 175.390 0.351 1
1 352 . 4 1 1 A 32 32 LYS CA C 32 56.239 58.264 -2.025 1
1 353 . 4 1 1 A 32 32 LYS CB C 32 32.016 31.139 0.877 1
1 357 . 4 1 1 A 32 32 LYS N N 32 117.463 118.883 -1.420 1
1 358 . 4 1 1 A 33 33 ASN H H 33 7.870 8.711 -0.841 1
1 359 . 4 1 1 A 33 33 ASN HA H 33 4.807 4.928 -0.121 1
1 364 . 4 1 1 A 33 33 ASN C C 33 173.681 175.889 -2.208 1
1 365 . 4 1 1 A 33 33 ASN CA C 33 52.551 53.917 -1.366 1
1 366 . 4 1 1 A 33 33 ASN CB C 33 39.830 39.626 0.204 1
1 367 . 4 1 1 A 33 33 ASN N N 33 117.522 118.711 -1.189 1
1 369 . 4 1 1 A 34 34 TRP H H 34 8.704 8.842 -0.138 1
1 370 . 4 1 1 A 34 34 TRP HA H 34 4.807 4.848 -0.041 1
1 379 . 4 1 1 A 34 34 TRP C C 34 176.129 176.712 -0.583 1
1 380 . 4 1 1 A 34 34 TRP CA C 34 56.540 57.635 -1.095 1
1 381 . 4 1 1 A 34 34 TRP CB C 34 31.399 30.089 1.310 1
1 387 . 4 1 1 A 34 34 TRP N N 34 121.620 120.973 0.647 1
1 389 . 4 1 1 A 35 35 LYS H H 35 8.457 8.841 -0.384 1
1 390 . 4 1 1 A 35 35 LYS HA H 35 4.876 4.975 -0.099 1
1 399 . 4 1 1 A 35 35 LYS C C 35 176.081 176.208 -0.127 1
1 400 . 4 1 1 A 35 35 LYS CA C 35 54.298 55.054 -0.756 1
1 401 . 4 1 1 A 35 35 LYS CB C 35 36.498 34.929 1.569 1
1 405 . 4 1 1 A 35 35 LYS N N 35 120.816 120.192 0.624 1
1 406 . 4 1 1 A 36 36 VAL H H 36 8.974 8.881 0.093 1
1 407 . 4 1 1 A 36 36 VAL HA H 36 4.254 4.338 -0.084 1
1 415 . 4 1 1 A 36 36 VAL C C 36 176.808 175.602 1.206 1
1 416 . 4 1 1 A 36 36 VAL CA C 36 63.828 63.234 0.594 1
1 417 . 4 1 1 A 36 36 VAL CB C 36 31.687 32.233 -0.546 1
1 420 . 4 1 1 A 36 36 VAL N N 36 123.825 124.845 -1.020 1
1 421 . 4 1 1 A 37 37 ARG H H 37 9.327 9.003 0.324 1
1 422 . 4 1 1 A 37 37 ARG HA H 37 4.930 4.882 0.048 1
1 427 . 4 1 1 A 37 37 ARG C C 37 173.815 174.421 -0.606 1
1 428 . 4 1 1 A 37 37 ARG CA C 37 54.351 54.995 -0.644 1
1 429 . 4 1 1 A 37 37 ARG CB C 37 34.709 34.297 0.412 1
1 432 . 4 1 1 A 37 37 ARG N N 37 128.926 125.174 3.752 1
1 433 . 4 1 1 A 38 38 LYS H H 38 8.714 8.615 0.099 1
1 434 . 4 1 1 A 38 38 LYS HA H 38 4.959 5.094 -0.135 1
1 443 . 4 1 1 A 38 38 LYS C C 38 175.075 174.836 0.239 1
1 444 . 4 1 1 A 38 38 LYS CA C 38 55.869 55.943 -0.074 1
1 445 . 4 1 1 A 38 38 LYS CB C 38 34.072 33.412 0.660 1
1 449 . 4 1 1 A 38 38 LYS N N 38 121.669 123.866 -2.197 1
1 450 . 4 1 1 A 39 39 PHE H H 39 9.751 9.317 0.434 1
1 451 . 4 1 1 A 39 39 PHE HA H 39 5.591 5.416 0.175 1
1 459 . 4 1 1 A 39 39 PHE C C 39 175.414 175.144 0.270 1
1 460 . 4 1 1 A 39 39 PHE CA C 39 57.474 57.397 0.077 1
1 461 . 4 1 1 A 39 39 PHE CB C 39 42.667 40.432 2.235 1
1 467 . 4 1 1 A 39 39 PHE N N 39 127.216 126.883 0.333 1
1 468 . 4 1 1 A 40 40 ILE H H 40 9.246 10.601 -1.355 1
1 469 . 4 1 1 A 40 40 ILE HA H 40 4.864 5.223 -0.359 1
1 479 . 4 1 1 A 40 40 ILE C C 40 174.724 174.229 0.495 1
1 480 . 4 1 1 A 40 40 ILE CA C 40 62.134 60.105 2.029 1
1 481 . 4 1 1 A 40 40 ILE CB C 40 41.022 39.836 1.186 1
1 485 . 4 1 1 A 40 40 ILE N N 40 119.337 123.870 -4.533 1
1 486 . 4 1 1 A 41 41 LEU H H 41 9.549 9.251 0.298 1
1 487 . 4 1 1 A 41 41 LEU HA H 41 5.485 5.386 0.099 1
1 497 . 4 1 1 A 41 41 LEU C C 41 174.457 175.309 -0.852 1
1 498 . 4 1 1 A 41 41 LEU CA C 41 54.004 53.758 0.246 1
1 499 . 4 1 1 A 41 41 LEU CB C 41 45.299 45.437 -0.138 1
1 503 . 4 1 1 A 41 41 LEU N N 41 132.451 131.011 1.440 1
1 504 . 4 1 1 A 42 42 ARG H H 42 9.383 9.060 0.323 1
1 505 . 4 1 1 A 42 42 ARG HA H 42 5.492 5.130 0.362 1
1 513 . 4 1 1 A 42 42 ARG C C 42 174.893 175.134 -0.241 1
1 514 . 4 1 1 A 42 42 ARG CA C 42 54.421 54.562 -0.141 1
1 515 . 4 1 1 A 42 42 ARG CB C 42 35.470 33.845 1.625 1
1 518 . 4 1 1 A 42 42 ARG N N 42 128.467 124.411 4.056 1
1 520 . 4 1 1 A 43 43 GLU H H 43 8.259 8.197 0.062 1
1 521 . 4 1 1 A 43 43 GLU HA H 43 4.366 4.793 -0.427 1
1 526 . 4 1 1 A 43 43 GLU C C 43 174.893 175.705 -0.812 1
1 527 . 4 1 1 A 43 43 GLU CA C 43 54.898 55.645 -0.747 1
1 528 . 4 1 1 A 43 43 GLU CB C 43 33.102 30.990 2.112 1
1 530 . 4 1 1 A 43 43 GLU N N 43 115.434 120.585 -5.151 1
1 531 . 4 1 1 A 44 44 ASP H H 44 7.870 8.808 -0.938 1
1 532 . 4 1 1 A 44 44 ASP HA H 44 4.433 4.177 0.256 1
1 535 . 4 1 1 A 44 44 ASP C C 44 172.991 174.536 -1.545 1
1 536 . 4 1 1 A 44 44 ASP CA C 44 53.892 54.715 -0.823 1
1 537 . 4 1 1 A 44 44 ASP CB C 44 41.146 39.470 1.676 1
1 538 . 4 1 1 A 44 44 ASP N N 44 114.444 117.988 -3.544 1
1 539 . 4 1 1 A 45 45 PRO HA H 45 4.710 4.581 0.129 1
1 546 . 4 1 1 A 45 45 PRO C C 45 176.747 175.479 1.268 1
1 547 . 4 1 1 A 45 45 PRO CA C 45 63.246 62.644 0.602 1
1 548 . 4 1 1 A 45 45 PRO CB C 45 34.977 32.862 2.115 1
1 551 . 4 1 1 A 46 46 ALA H H 46 8.356 8.211 0.145 1
1 552 . 4 1 1 A 46 46 ALA HA H 46 5.049 4.789 0.260 1
1 556 . 4 1 1 A 46 46 ALA C C 46 175.499 176.103 -0.604 1
1 557 . 4 1 1 A 46 46 ALA CA C 46 51.545 50.807 0.738 1
1 558 . 4 1 1 A 46 46 ALA CB C 46 19.655 19.421 0.234 1
1 559 . 4 1 1 A 46 46 ALA N N 46 122.969 123.570 -0.601 1
1 560 . 4 1 1 A 47 47 TYR H H 47 8.047 9.016 -0.969 1
1 561 . 4 1 1 A 47 47 TYR HA H 47 5.097 5.178 -0.081 1
1 568 . 4 1 1 A 47 47 TYR C C 47 173.730 174.500 -0.770 1
1 569 . 4 1 1 A 47 47 TYR CA C 47 57.563 56.413 1.150 1
1 570 . 4 1 1 A 47 47 TYR CB C 47 45.711 43.536 2.175 1
1 575 . 4 1 1 A 47 47 TYR N N 47 126.550 120.902 5.648 1
1 576 . 4 1 1 A 48 48 LEU H H 48 8.776 8.487 0.289 1
1 577 . 4 1 1 A 48 48 LEU HA H 48 5.578 5.275 0.303 1
1 587 . 4 1 1 A 48 48 LEU C C 48 175.039 174.781 0.258 1
1 588 . 4 1 1 A 48 48 LEU CA C 48 53.134 53.893 -0.759 1
1 589 . 4 1 1 A 48 48 LEU CB C 48 46.369 45.120 1.249 1
1 593 . 4 1 1 A 48 48 LEU N N 48 120.864 122.712 -1.848 1
1 594 . 4 1 1 A 49 49 HIS H H 49 8.974 9.458 -0.484 1
1 595 . 4 1 1 A 49 49 HIS HA H 49 5.181 5.022 0.159 1
1 600 . 4 1 1 A 49 49 HIS C C 49 174.712 173.884 0.828 1
1 601 . 4 1 1 A 49 49 HIS CA C 49 57.916 54.380 3.536 1
1 602 . 4 1 1 A 49 49 HIS CB C 49 35.347 31.669 3.678 1
1 605 . 4 1 1 A 49 49 HIS N N 49 124.417 126.452 -2.035 1
1 606 . 4 1 1 A 50 50 TYR H H 50 7.348 8.133 -0.785 1
1 607 . 4 1 1 A 50 50 TYR HA H 50 5.909 5.643 0.266 1
1 614 . 4 1 1 A 50 50 TYR C C 50 174.239 173.432 0.807 1
1 615 . 4 1 1 A 50 50 TYR CA C 50 53.610 55.044 -1.434 1
1 616 . 4 1 1 A 50 50 TYR CB C 50 40.077 40.546 -0.469 1
1 621 . 4 1 1 A 50 50 TYR N N 50 114.323 118.765 -4.442 1
1 622 . 4 1 1 A 51 51 TYR H H 51 9.230 9.876 -0.646 1
1 623 . 4 1 1 A 51 51 TYR HA H 51 4.555 4.857 -0.302 1
1 630 . 4 1 1 A 51 51 TYR C C 51 175.572 174.637 0.935 1
1 631 . 4 1 1 A 51 51 TYR CA C 51 57.175 57.355 -0.180 1
1 632 . 4 1 1 A 51 51 TYR CB C 51 42.709 42.100 0.609 1
1 637 . 4 1 1 A 51 51 TYR N N 51 117.695 122.479 -4.784 1
1 638 . 4 1 1 A 52 52 ASP H H 52 9.390 8.852 0.538 1
1 639 . 4 1 1 A 52 52 ASP HA H 52 4.937 5.129 -0.192 1
1 642 . 4 1 1 A 52 52 ASP CA C 52 52.057 51.033 1.024 1
1 643 . 4 1 1 A 52 52 ASP CB C 52 42.197 42.506 -0.309 1
1 644 . 4 1 1 A 52 52 ASP N N 52 123.964 122.165 1.799 1
1 645 . 4 1 1 A 53 53 PRO HA H 53 4.274 4.361 -0.087 1
1 652 . 4 1 1 A 53 53 PRO C C 53 176.360 178.682 -2.322 1
1 653 . 4 1 1 A 53 53 PRO CA C 53 64.728 65.859 -1.131 1
1 654 . 4 1 1 A 53 53 PRO CB C 53 32.016 31.860 0.156 1
1 657 . 4 1 1 A 54 54 ALA H H 54 8.384 8.406 -0.022 1
1 658 . 4 1 1 A 54 54 ALA HA H 54 4.492 4.084 0.408 1
1 662 . 4 1 1 A 54 54 ALA C C 54 177.620 177.914 -0.294 1
1 663 . 4 1 1 A 54 54 ALA CA C 54 52.022 54.162 -2.140 1
1 664 . 4 1 1 A 54 54 ALA CB C 54 19.202 19.430 -0.228 1
1 665 . 4 1 1 A 54 54 ALA N N 54 120.140 119.303 0.837 1
1 666 . 4 1 1 A 55 55 GLY H H 55 7.710 8.273 -0.563 1
1 667 . 4 1 1 A 55 55 GLY HA2 H 55 4.194 4.019 0.175 1
1 668 . 4 1 1 A 55 55 GLY HA3 H 55 3.833 4.020 -0.187 1
1 669 . 4 1 1 A 55 55 GLY C C 55 173.524 171.592 1.932 1
1 670 . 4 1 1 A 55 55 GLY CA C 55 45.421 45.515 -0.094 1
1 671 . 4 1 1 A 55 55 GLY N N 55 107.828 102.240 5.588 1
1 672 . 4 1 1 A 56 56 ALA H H 56 8.339 8.409 -0.070 1
1 673 . 4 1 1 A 56 56 ALA HA H 56 4.378 4.821 -0.443 1
1 677 . 4 1 1 A 56 56 ALA C C 56 177.741 176.367 1.374 1
1 678 . 4 1 1 A 56 56 ALA CA C 56 52.410 51.239 1.171 1
1 679 . 4 1 1 A 56 56 ALA CB C 56 19.843 22.892 -3.049 1
1 680 . 4 1 1 A 56 56 ALA N N 56 125.269 122.477 2.792 1
1 681 . 4 1 1 A 57 57 GLU H H 57 8.567 9.025 -0.458 1
1 682 . 4 1 1 A 57 57 GLU HA H 57 4.160 4.447 -0.287 1
1 687 . 4 1 1 A 57 57 GLU C C 57 176.335 175.123 1.212 1
1 688 . 4 1 1 A 57 57 GLU CA C 57 57.616 57.891 -0.275 1
1 689 . 4 1 1 A 57 57 GLU CB C 57 30.083 31.129 -1.046 1
1 691 . 4 1 1 A 57 57 GLU N N 57 119.341 118.882 0.459 1
1 692 . 4 1 1 A 58 58 ASP H H 58 7.718 8.217 -0.499 1
1 693 . 4 1 1 A 58 58 ASP HA H 58 5.010 5.110 -0.100 1
1 696 . 4 1 1 A 58 58 ASP C C 58 173.209 173.931 -0.722 1
1 697 . 4 1 1 A 58 58 ASP CA C 58 52.128 51.506 0.622 1
1 698 . 4 1 1 A 58 58 ASP CB C 58 40.981 41.373 -0.392 1
1 699 . 4 1 1 A 58 58 ASP N N 58 118.499 118.797 -0.298 1
1 700 . 4 1 1 A 59 59 PRO HA H 59 3.493 4.097 -0.604 1
1 707 . 4 1 1 A 59 59 PRO C C 59 177.111 177.758 -0.647 1
1 708 . 4 1 1 A 59 59 PRO CA C 59 63.069 62.303 0.766 1
1 709 . 4 1 1 A 59 59 PRO CB C 59 31.229 31.389 -0.160 1
1 712 . 4 1 1 A 60 60 LEU H H 60 8.770 8.244 0.526 1
1 713 . 4 1 1 A 60 60 LEU HA H 60 4.114 3.852 0.262 1
1 723 . 4 1 1 A 60 60 LEU C C 60 177.268 176.531 0.737 1
1 724 . 4 1 1 A 60 60 LEU CA C 60 55.181 56.683 -1.502 1
1 725 . 4 1 1 A 60 60 LEU CB C 60 42.750 41.980 0.770 1
1 729 . 4 1 1 A 60 60 LEU N N 60 121.907 122.442 -0.535 1
1 730 . 4 1 1 A 61 61 GLY H H 61 6.472 6.509 -0.037 1
1 731 . 4 1 1 A 61 61 GLY HA2 H 61 3.798 3.889 -0.091 1
1 732 . 4 1 1 A 61 61 GLY HA3 H 61 3.382 3.941 -0.559 1
1 733 . 4 1 1 A 61 61 GLY C C 61 169.367 170.551 -1.184 1
1 734 . 4 1 1 A 61 61 GLY CA C 61 45.033 45.517 -0.484 1
1 735 . 4 1 1 A 61 61 GLY N N 61 103.740 103.460 0.280 1
1 736 . 4 1 1 A 62 62 ALA H H 62 8.024 8.443 -0.419 1
1 737 . 4 1 1 A 62 62 ALA HA H 62 4.644 5.081 -0.437 1
1 741 . 4 1 1 A 62 62 ALA C C 62 176.226 175.390 0.836 1
1 742 . 4 1 1 A 62 62 ALA CA C 62 50.839 51.084 -0.245 1
1 743 . 4 1 1 A 62 62 ALA CB C 62 23.914 22.889 1.025 1
1 744 . 4 1 1 A 62 62 ALA N N 62 120.249 121.629 -1.380 1
1 745 . 4 1 1 A 63 63 ILE H H 63 8.810 8.490 0.320 1
1 746 . 4 1 1 A 63 63 ILE HA H 63 4.119 4.771 -0.652 1
1 756 . 4 1 1 A 63 63 ILE C C 63 174.724 175.390 -0.666 1
1 757 . 4 1 1 A 63 63 ILE CA C 63 60.757 60.593 0.164 1
1 758 . 4 1 1 A 63 63 ILE CB C 63 40.319 40.781 -0.462 1
1 762 . 4 1 1 A 63 63 ILE N N 63 122.110 119.742 2.368 1
1 763 . 4 1 1 A 64 64 HIS H H 64 9.073 9.110 -0.037 1
1 764 . 4 1 1 A 64 64 HIS HA H 64 3.948 4.590 -0.642 1
1 769 . 4 1 1 A 64 64 HIS C C 64 176.529 175.295 1.234 1
1 770 . 4 1 1 A 64 64 HIS CA C 64 54.951 57.373 -2.422 1
1 771 . 4 1 1 A 64 64 HIS CB C 64 30.494 30.838 -0.344 1
1 774 . 4 1 1 A 64 64 HIS N N 64 129.092 128.051 1.041 1
1 775 . 4 1 1 A 65 65 LEU H H 65 7.770 7.463 0.307 1
1 776 . 4 1 1 A 65 65 LEU HA H 65 4.074 4.335 -0.261 1
1 786 . 4 1 1 A 65 65 LEU C C 65 176.808 177.115 -0.307 1
1 787 . 4 1 1 A 65 65 LEU CA C 65 54.951 54.199 0.752 1
1 788 . 4 1 1 A 65 65 LEU CB C 65 42.667 42.749 -0.082 1
1 792 . 4 1 1 A 65 65 LEU N N 65 124.760 127.989 -3.229 1
1 793 . 4 1 1 A 66 66 ARG H H 66 6.515 7.084 -0.569 1
1 794 . 4 1 1 A 66 66 ARG HA H 66 4.085 3.762 0.323 1
1 801 . 4 1 1 A 66 66 ARG C C 66 178.638 177.467 1.171 1
1 802 . 4 1 1 A 66 66 ARG CA C 66 58.092 59.199 -1.107 1
1 803 . 4 1 1 A 66 66 ARG CB C 66 29.525 29.807 -0.282 1
1 806 . 4 1 1 A 66 66 ARG N N 66 120.462 120.283 0.179 1
1 807 . 4 1 1 A 67 67 GLY H H 67 9.300 7.843 1.457 1
1 808 . 4 1 1 A 67 67 GLY HA2 H 67 4.045 3.987 0.058 1
1 809 . 4 1 1 A 67 67 GLY HA3 H 67 3.826 4.025 -0.199 1
1 810 . 4 1 1 A 67 67 GLY C C 67 173.996 174.049 -0.053 1
1 811 . 4 1 1 A 67 67 GLY CA C 67 46.162 45.899 0.263 1
1 812 . 4 1 1 A 67 67 GLY N N 67 118.040 106.345 11.695 1
1 813 . 4 1 1 A 68 68 CYS H H 68 7.789 7.624 0.165 1
1 814 . 4 1 1 A 68 68 CYS HA H 68 4.779 4.586 0.193 1
1 817 . 4 1 1 A 68 68 CYS C C 68 173.148 173.763 -0.615 1
1 818 . 4 1 1 A 68 68 CYS CA C 68 57.545 58.045 -0.500 1
1 819 . 4 1 1 A 68 68 CYS CB C 68 28.644 29.686 -1.042 1
1 820 . 4 1 1 A 68 68 CYS N N 68 116.032 117.951 -1.919 1
1 821 . 4 1 1 A 69 69 VAL H H 69 8.665 9.723 -1.058 1
1 822 . 4 1 1 A 69 69 VAL HA H 69 4.364 4.935 -0.571 1
1 830 . 4 1 1 A 69 69 VAL C C 69 174.154 175.083 -0.929 1
1 831 . 4 1 1 A 69 69 VAL CA C 69 61.464 60.465 0.999 1
1 832 . 4 1 1 A 69 69 VAL CB C 69 35.041 35.410 -0.369 1
1 835 . 4 1 1 A 69 69 VAL N N 69 120.327 121.536 -1.209 1
1 836 . 4 1 1 A 70 70 VAL H H 70 8.656 8.618 0.038 1
1 837 . 4 1 1 A 70 70 VAL HA H 70 5.543 5.096 0.447 1
1 845 . 4 1 1 A 70 70 VAL C C 70 174.105 175.303 -1.198 1
1 846 . 4 1 1 A 70 70 VAL CA C 70 59.028 60.865 -1.837 1
1 847 . 4 1 1 A 70 70 VAL CB C 70 34.237 34.267 -0.030 1
1 850 . 4 1 1 A 70 70 VAL N N 70 124.719 125.613 -0.894 1
1 851 . 4 1 1 A 71 71 THR H H 71 8.883 8.503 0.380 1
1 852 . 4 1 1 A 71 71 THR HA H 71 4.724 4.720 0.004 1
1 857 . 4 1 1 A 71 71 THR C C 71 173.087 172.401 0.686 1
1 858 . 4 1 1 A 71 71 THR CA C 71 59.875 60.897 -1.022 1
1 859 . 4 1 1 A 71 71 THR CB C 71 71.290 70.686 0.604 1
1 861 . 4 1 1 A 71 71 THR N N 71 120.107 120.490 -0.383 1
1 862 . 4 1 1 A 72 72 SER H H 72 8.706 8.632 0.074 1
1 863 . 4 1 1 A 72 72 SER HA H 72 4.455 5.163 -0.708 1
1 866 . 4 1 1 A 72 72 SER C C 72 174.082 174.276 -0.194 1
1 867 . 4 1 1 A 72 72 SER CA C 72 59.204 57.255 1.949 1
1 868 . 4 1 1 A 72 72 SER CB C 72 63.476 64.766 -1.290 1
1 869 . 4 1 1 A 72 72 SER N N 72 120.128 120.920 -0.792 1
1 870 . 4 1 1 A 73 73 VAL H H 73 7.825 8.574 -0.749 1
1 871 . 4 1 1 A 73 73 VAL HA H 73 4.302 4.351 -0.049 1
1 879 . 4 1 1 A 73 73 VAL C C 73 175.160 175.886 -0.726 1
1 880 . 4 1 1 A 73 73 VAL CA C 73 62.010 60.990 1.020 1
1 881 . 4 1 1 A 73 73 VAL CB C 73 33.579 32.386 1.193 1
1 884 . 4 1 1 A 73 73 VAL N N 73 125.377 121.289 4.088 1
1 885 . 4 1 1 A 74 74 GLU H H 74 8.706 8.781 -0.075 1
1 886 . 4 1 1 A 74 74 GLU HA H 74 4.544 4.496 0.048 1
1 891 . 4 1 1 A 74 74 GLU C C 74 176.420 176.016 0.404 1
1 892 . 4 1 1 A 74 74 GLU CA C 74 55.622 58.134 -2.512 1
1 893 . 4 1 1 A 74 74 GLU CB C 74 30.741 31.782 -1.041 1
1 895 . 4 1 1 A 74 74 GLU N N 74 126.564 121.635 4.929 1
1 896 . 4 1 1 A 75 75 SER H H 75 8.639 8.087 0.552 1
1 897 . 4 1 1 A 75 75 SER HA H 75 4.447 4.437 0.010 1
1 900 . 4 1 1 A 75 75 SER C C 75 174.299 173.702 0.597 1
1 901 . 4 1 1 A 75 75 SER CA C 75 58.339 58.681 -0.342 1
1 902 . 4 1 1 A 75 75 SER CB C 75 64.170 62.912 1.258 1
1 903 . 4 1 1 A 75 75 SER N N 75 117.961 114.368 3.593 1
1 904 . 4 1 1 A 76 76 ASN H H 76 8.672 8.913 -0.241 1
1 905 . 4 1 1 A 76 76 ASN HA H 76 4.795 4.525 0.270 1
1 910 . 4 1 1 A 76 76 ASN C C 76 175.584 174.968 0.616 1
1 911 . 4 1 1 A 76 76 ASN CA C 76 53.292 55.312 -2.020 1
1 912 . 4 1 1 A 76 76 ASN CB C 76 39.089 37.248 1.841 1
1 913 . 4 1 1 A 76 76 ASN N N 76 121.138 119.608 1.530 1
1 915 . 4 1 1 A 78 78 ASN HA H 78 4.635 4.996 -0.361 1
1 920 . 4 1 1 A 78 78 ASN C C 78 175.681 175.812 -0.131 1
1 921 . 4 1 1 A 78 78 ASN CA C 78 53.610 54.738 -1.128 1
1 922 . 4 1 1 A 78 78 ASN CB C 78 38.496 40.887 -2.391 1
1 924 . 4 1 1 A 79 79 GLY H H 79 8.356 8.635 -0.279 1
1 925 . 4 1 1 A 79 79 GLY HA2 H 79 3.821 3.954 -0.133 1
1 926 . 4 1 1 A 79 79 GLY HA3 H 79 4.011 3.954 0.057 1
1 927 . 4 1 1 A 79 79 GLY C C 79 174.154 173.656 0.498 1
1 928 . 4 1 1 A 79 79 GLY CA C 79 45.563 46.486 -0.923 1
1 929 . 4 1 1 A 79 79 GLY N N 79 108.284 107.093 1.191 1
1 930 . 4 1 1 A 80 80 ARG H H 80 7.919 7.752 0.167 1
1 931 . 4 1 1 A 80 80 ARG HA H 80 4.344 4.634 -0.290 1
1 938 . 4 1 1 A 80 80 ARG C C 80 176.117 175.463 0.654 1
1 939 . 4 1 1 A 80 80 ARG CA C 80 55.905 54.282 1.623 1
1 940 . 4 1 1 A 80 80 ARG CB C 80 30.782 34.397 -3.615 1
1 943 . 4 1 1 A 80 80 ARG N N 80 120.470 118.701 1.769 1
1 944 . 4 1 1 A 81 81 LYS H H 81 8.427 8.333 0.094 1
1 945 . 4 1 1 A 81 81 LYS HA H 81 4.350 4.222 0.128 1
1 954 . 4 1 1 A 81 81 LYS C C 81 176.808 176.077 0.731 1
1 955 . 4 1 1 A 81 81 LYS CA C 81 56.416 56.306 0.110 1
1 956 . 4 1 1 A 81 81 LYS CB C 81 32.797 32.886 -0.089 1
1 960 . 4 1 1 A 81 81 LYS N N 81 122.963 121.455 1.508 1
1 961 . 4 1 1 A 82 82 SER H H 82 8.440 8.316 0.124 1
1 962 . 4 1 1 A 82 82 SER HA H 82 4.380 4.354 0.026 1
1 965 . 4 1 1 A 82 82 SER C C 82 174.833 174.698 0.135 1
1 966 . 4 1 1 A 82 82 SER CA C 82 58.763 59.887 -1.124 1
1 967 . 4 1 1 A 82 82 SER CB C 82 63.723 63.204 0.519 1
1 968 . 4 1 1 A 82 82 SER N N 82 118.053 117.129 0.924 1
1 969 . 4 1 1 A 83 83 GLU H H 83 8.648 8.997 -0.349 1
1 970 . 4 1 1 A 83 83 GLU HA H 83 4.233 4.303 -0.070 1
1 975 . 4 1 1 A 83 83 GLU C C 83 176.311 175.574 0.737 1
1 976 . 4 1 1 A 83 83 GLU CA C 83 57.104 58.278 -1.174 1
1 977 . 4 1 1 A 83 83 GLU CB C 83 29.795 30.740 -0.945 1
1 979 . 4 1 1 A 83 83 GLU N N 83 121.793 129.046 -7.253 1
1 980 . 4 1 1 A 84 84 GLU H H 84 8.088 7.877 0.211 1
1 981 . 4 1 1 A 84 84 GLU HA H 84 4.161 4.578 -0.417 1
1 986 . 4 1 1 A 84 84 GLU C C 84 175.523 175.646 -0.123 1
1 987 . 4 1 1 A 84 84 GLU CA C 84 56.275 55.002 1.273 1
1 988 . 4 1 1 A 84 84 GLU CB C 84 30.165 32.817 -2.652 1
1 990 . 4 1 1 A 84 84 GLU N N 84 119.385 116.758 2.627 1
1 991 . 4 1 1 A 85 85 GLU H H 85 7.907 8.429 -0.522 1
1 992 . 4 1 1 A 85 85 GLU HA H 85 4.350 4.364 -0.014 1
1 997 . 4 1 1 A 85 85 GLU C C 85 175.002 176.686 -1.684 1
1 998 . 4 1 1 A 85 85 GLU CA C 85 55.569 55.958 -0.389 1
1 999 . 4 1 1 A 85 85 GLU CB C 85 32.098 30.701 1.397 1
1 1001 . 4 1 1 A 85 85 GLU N N 85 120.414 124.001 -3.587 1
1 1002 . 4 1 1 A 86 86 ASN H H 86 8.569 8.658 -0.089 1
1 1003 . 4 1 1 A 86 86 ASN HA H 86 4.225 4.948 -0.723 1
1 1008 . 4 1 1 A 86 86 ASN C C 86 175.147 174.541 0.606 1
1 1009 . 4 1 1 A 86 86 ASN CA C 86 54.068 53.203 0.865 1
1 1010 . 4 1 1 A 86 86 ASN CB C 86 38.185 38.896 -0.711 1
1 1011 . 4 1 1 A 86 86 ASN N N 86 114.602 118.840 -4.238 1
1 1013 . 4 1 1 A 87 87 LEU H H 87 8.483 9.095 -0.612 1
1 1014 . 4 1 1 A 87 87 LEU HA H 87 5.186 5.414 -0.228 1
1 1024 . 4 1 1 A 87 87 LEU C C 87 178.480 175.622 2.858 1
1 1025 . 4 1 1 A 87 87 LEU CA C 87 55.128 52.955 2.173 1
1 1026 . 4 1 1 A 87 87 LEU CB C 87 44.559 45.757 -1.198 1
1 1030 . 4 1 1 A 87 87 LEU N N 87 121.334 124.883 -3.549 1
1 1031 . 4 1 1 A 88 88 PHE H H 88 9.512 8.003 1.509 1
1 1032 . 4 1 1 A 88 88 PHE HA H 88 5.156 4.875 0.281 1
1 1040 . 4 1 1 A 88 88 PHE C C 88 170.288 171.965 -1.677 1
1 1041 . 4 1 1 A 88 88 PHE CA C 88 56.787 55.858 0.929 1
1 1042 . 4 1 1 A 88 88 PHE CB C 88 41.763 41.517 0.246 1
1 1048 . 4 1 1 A 88 88 PHE N N 88 119.324 117.091 2.233 1
1 1049 . 4 1 1 A 89 89 GLU H H 89 9.028 8.342 0.686 1
1 1050 . 4 1 1 A 89 89 GLU HA H 89 5.293 5.125 0.168 1
1 1055 . 4 1 1 A 89 89 GLU C C 89 175.245 175.085 0.160 1
1 1056 . 4 1 1 A 89 89 GLU CA C 89 53.433 55.221 -1.788 1
1 1057 . 4 1 1 A 89 89 GLU CB C 89 34.566 31.385 3.181 1
1 1059 . 4 1 1 A 89 89 GLU N N 89 121.829 120.354 1.475 1
1 1060 . 4 1 1 A 90 90 ILE H H 90 8.655 8.684 -0.029 1
1 1061 . 4 1 1 A 90 90 ILE HA H 90 4.793 4.747 0.046 1
1 1071 . 4 1 1 A 90 90 ILE C C 90 174.808 175.383 -0.575 1
1 1072 . 4 1 1 A 90 90 ILE CA C 90 59.857 60.368 -0.511 1
1 1073 . 4 1 1 A 90 90 ILE CB C 90 41.886 40.117 1.769 1
1 1077 . 4 1 1 A 90 90 ILE N N 90 123.446 126.552 -3.106 1
1 1078 . 4 1 1 A 91 91 ILE H H 91 9.199 8.590 0.609 1
1 1079 . 4 1 1 A 91 91 ILE HA H 91 4.724 4.730 -0.006 1
1 1089 . 4 1 1 A 91 91 ILE C C 91 177.898 176.269 1.629 1
1 1090 . 4 1 1 A 91 91 ILE CA C 91 60.211 61.360 -1.149 1
1 1091 . 4 1 1 A 91 91 ILE CB C 91 39.043 37.472 1.571 1
1 1095 . 4 1 1 A 91 91 ILE N N 91 126.827 128.959 -2.132 1
1 1096 . 4 1 1 A 92 92 THR H H 92 9.086 8.063 1.023 1
1 1097 . 4 1 1 A 92 92 THR HA H 92 4.314 4.873 -0.559 1
1 1102 . 4 1 1 A 92 92 THR C C 92 176.857 176.181 0.676 1
1 1103 . 4 1 1 A 92 92 THR CA C 92 61.693 59.809 1.884 1
1 1104 . 4 1 1 A 92 92 THR CB C 92 70.920 72.431 -1.511 1
1 1106 . 4 1 1 A 92 92 THR N N 92 117.131 116.986 0.145 1
1 1107 . 4 1 1 A 93 93 ALA H H 93 9.192 9.179 0.013 1
1 1108 . 4 1 1 A 93 93 ALA HA H 93 4.101 4.080 0.021 1
1 1112 . 4 1 1 A 93 93 ALA C C 93 178.008 178.060 -0.052 1
1 1113 . 4 1 1 A 93 93 ALA CA C 93 54.634 54.822 -0.188 1
1 1114 . 4 1 1 A 93 93 ALA CB C 93 18.198 18.585 -0.387 1
1 1115 . 4 1 1 A 93 93 ALA N N 93 123.540 124.260 -0.720 1
1 1116 . 4 1 1 A 94 94 ASP H H 94 7.979 7.873 0.106 1
1 1117 . 4 1 1 A 94 94 ASP HA H 94 4.724 4.749 -0.025 1
1 1120 . 4 1 1 A 94 94 ASP C C 94 174.324 175.827 -1.503 1
1 1121 . 4 1 1 A 94 94 ASP CA C 94 53.098 53.792 -0.694 1
1 1122 . 4 1 1 A 94 94 ASP CB C 94 39.336 41.055 -1.719 1
1 1123 . 4 1 1 A 94 94 ASP N N 94 113.209 117.362 -4.153 1
1 1124 . 4 1 1 A 95 95 GLU H H 95 8.152 9.113 -0.961 1
1 1125 . 4 1 1 A 95 95 GLU HA H 95 3.430 3.831 -0.401 1
1 1130 . 4 1 1 A 95 95 GLU C C 95 174.578 175.468 -0.890 1
1 1131 . 4 1 1 A 95 95 GLU CA C 95 57.687 57.966 -0.279 1
1 1132 . 4 1 1 A 95 95 GLU CB C 95 26.300 27.381 -1.081 1
1 1134 . 4 1 1 A 95 95 GLU N N 95 114.010 116.843 -2.833 1
1 1135 . 4 1 1 A 96 96 VAL H H 96 7.595 7.261 0.334 1
1 1136 . 4 1 1 A 96 96 VAL HA H 96 4.063 3.894 0.169 1
1 1144 . 4 1 1 A 96 96 VAL C C 96 175.293 175.004 0.289 1
1 1145 . 4 1 1 A 96 96 VAL CA C 96 62.751 62.964 -0.213 1
1 1146 . 4 1 1 A 96 96 VAL CB C 96 31.440 31.465 -0.025 1
1 1149 . 4 1 1 A 96 96 VAL N N 96 120.925 120.464 0.461 1
1 1150 . 4 1 1 A 97 97 HIS H H 97 8.603 9.075 -0.472 1
1 1151 . 4 1 1 A 97 97 HIS HA H 97 5.234 5.232 0.002 1
1 1156 . 4 1 1 A 97 97 HIS C C 97 174.348 173.753 0.595 1
1 1157 . 4 1 1 A 97 97 HIS CA C 97 54.404 53.758 0.646 1
1 1158 . 4 1 1 A 97 97 HIS CB C 97 30.536 31.179 -0.643 1
1 1161 . 4 1 1 A 97 97 HIS N N 97 124.160 127.067 -2.907 1
1 1162 . 4 1 1 A 98 98 TYR H H 98 9.267 9.265 0.002 1
1 1163 . 4 1 1 A 98 98 TYR HA H 98 4.532 5.062 -0.530 1
1 1170 . 4 1 1 A 98 98 TYR C C 98 173.621 174.850 -1.229 1
1 1171 . 4 1 1 A 98 98 TYR CA C 98 57.122 56.615 0.507 1
1 1172 . 4 1 1 A 98 98 TYR CB C 98 41.228 41.268 -0.040 1
1 1177 . 4 1 1 A 98 98 TYR N N 98 121.543 121.662 -0.119 1
1 1178 . 4 1 1 A 99 99 PHE H H 99 8.861 9.221 -0.360 1
1 1179 . 4 1 1 A 99 99 PHE HA H 99 4.983 5.184 -0.201 1
1 1186 . 4 1 1 A 99 99 PHE C C 99 173.754 174.739 -0.985 1
1 1187 . 4 1 1 A 99 99 PHE CA C 99 57.705 56.839 0.866 1
1 1188 . 4 1 1 A 99 99 PHE CB C 99 41.516 39.681 1.835 1
1 1193 . 4 1 1 A 99 99 PHE N N 99 121.699 122.948 -1.249 1
1 1194 . 4 1 1 A 100 100 LEU H H 100 8.529 8.169 0.360 1
1 1195 . 4 1 1 A 100 100 LEU HA H 100 5.345 5.393 -0.048 1
1 1205 . 4 1 1 A 100 100 LEU C C 100 174.942 174.732 0.210 1
1 1206 . 4 1 1 A 100 100 LEU CA C 100 52.781 52.703 0.078 1
1 1207 . 4 1 1 A 100 100 LEU CB C 100 44.518 44.352 0.166 1
1 1211 . 4 1 1 A 100 100 LEU N N 100 123.519 124.826 -1.307 1
1 1212 . 4 1 1 A 101 101 GLN H H 101 8.717 8.734 -0.017 1
1 1213 . 4 1 1 A 101 101 GLN HA H 101 4.886 4.938 -0.052 1
1 1220 . 4 1 1 A 101 101 GLN C C 101 175.390 174.945 0.445 1
1 1221 . 4 1 1 A 101 101 GLN CA C 101 54.934 53.826 1.108 1
1 1222 . 4 1 1 A 101 101 GLN CB C 101 32.222 31.780 0.442 1
1 1224 . 4 1 1 A 101 101 GLN N N 101 117.786 121.974 -4.188 1
1 1226 . 4 1 1 A 102 102 ALA H H 102 8.256 9.486 -1.230 1
1 1227 . 4 1 1 A 102 102 ALA HA H 102 4.862 4.831 0.031 1
1 1231 . 4 1 1 A 102 102 ALA C C 102 176.008 177.753 -1.745 1
1 1232 . 4 1 1 A 102 102 ALA CA C 102 50.098 51.179 -1.081 1
1 1233 . 4 1 1 A 102 102 ALA CB C 102 21.606 20.904 0.702 1
1 1234 . 4 1 1 A 102 102 ALA N N 102 128.068 129.500 -1.432 1
1 1235 . 4 1 1 A 103 103 ALA H H 103 9.255 8.698 0.557 1
1 1236 . 4 1 1 A 103 103 ALA HA H 103 4.247 4.273 -0.026 1
1 1240 . 4 1 1 A 103 103 ALA C C 103 178.153 177.823 0.330 1
1 1241 . 4 1 1 A 103 103 ALA CA C 103 54.369 55.364 -0.995 1
1 1242 . 4 1 1 A 103 103 ALA CB C 103 20.377 18.971 1.406 1
1 1243 . 4 1 1 A 103 103 ALA N N 103 120.410 122.983 -2.573 1
1 1244 . 4 1 1 A 104 104 THR H H 104 7.149 7.839 -0.690 1
1 1245 . 4 1 1 A 104 104 THR HA H 104 4.846 4.712 0.134 1
1 1250 . 4 1 1 A 104 104 THR C C 104 173.354 173.925 -0.571 1
1 1251 . 4 1 1 A 104 104 THR CA C 104 57.810 59.105 -1.295 1
1 1252 . 4 1 1 A 104 104 THR CB C 104 71.496 70.237 1.259 1
1 1254 . 4 1 1 A 104 104 THR N N 104 103.106 109.004 -5.898 1
1 1255 . 4 1 1 A 105 105 PRO HA H 105 4.225 4.598 -0.373 1
1 1262 . 4 1 1 A 105 105 PRO C C 105 179.704 177.868 1.836 1
1 1263 . 4 1 1 A 105 105 PRO CA C 105 65.046 64.193 0.853 1
1 1264 . 4 1 1 A 105 105 PRO CB C 105 31.775 31.807 -0.032 1
1 1267 . 4 1 1 A 106 106 LYS H H 106 7.764 7.965 -0.201 1
1 1268 . 4 1 1 A 106 106 LYS HA H 106 4.036 4.140 -0.104 1
1 1277 . 4 1 1 A 106 106 LYS C C 106 177.959 178.703 -0.744 1
1 1278 . 4 1 1 A 106 106 LYS CA C 106 59.452 58.966 0.486 1
1 1279 . 4 1 1 A 106 106 LYS CB C 106 32.797 32.214 0.583 1
1 1283 . 4 1 1 A 106 106 LYS N N 106 119.261 118.294 0.967 1
1 1284 . 4 1 1 A 107 107 GLU H H 107 8.005 7.610 0.395 1
1 1285 . 4 1 1 A 107 107 GLU HA H 107 4.171 3.984 0.187 1
1 1290 . 4 1 1 A 107 107 GLU C C 107 178.529 178.389 0.140 1
1 1291 . 4 1 1 A 107 107 GLU CA C 107 59.310 59.186 0.124 1
1 1292 . 4 1 1 A 107 107 GLU CB C 107 31.111 29.143 1.968 1
1 1294 . 4 1 1 A 107 107 GLU N N 107 119.293 119.402 -0.109 1
1 1295 . 4 1 1 A 108 108 ARG H H 108 7.810 7.592 0.218 1
1 1296 . 4 1 1 A 108 108 ARG HA H 108 3.603 4.150 -0.547 1
1 1303 . 4 1 1 A 108 108 ARG C C 108 176.287 178.790 -2.503 1
1 1304 . 4 1 1 A 108 108 ARG CA C 108 60.598 59.081 1.517 1
1 1305 . 4 1 1 A 108 108 ARG CB C 108 29.548 30.059 -0.511 1
1 1308 . 4 1 1 A 108 108 ARG N N 108 118.989 119.488 -0.499 1
1 1309 . 4 1 1 A 109 109 THR H H 109 8.195 7.974 0.221 1
1 1310 . 4 1 1 A 109 109 THR HA H 109 3.645 3.753 -0.108 1
1 1315 . 4 1 1 A 109 109 THR C C 109 176.227 176.571 -0.344 1
1 1316 . 4 1 1 A 109 109 THR CA C 109 67.022 67.361 -0.339 1
1 1317 . 4 1 1 A 109 109 THR CB C 109 68.576 68.254 0.322 1
1 1319 . 4 1 1 A 109 109 THR N N 109 115.975 116.200 -0.225 1
1 1320 . 4 1 1 A 110 110 GLU H H 110 8.274 8.135 0.139 1
1 1321 . 4 1 1 A 110 110 GLU HA H 110 3.794 3.882 -0.088 1
1 1326 . 4 1 1 A 110 110 GLU C C 110 180.516 179.153 1.363 1
1 1327 . 4 1 1 A 110 110 GLU CA C 110 59.534 59.718 -0.184 1
1 1328 . 4 1 1 A 110 110 GLU CB C 110 29.507 29.223 0.284 1
1 1330 . 4 1 1 A 110 110 GLU N N 110 119.565 118.996 0.569 1
1 1331 . 4 1 1 A 111 111 TRP H H 111 8.316 8.621 -0.305 1
1 1332 . 4 1 1 A 111 111 TRP HA H 111 3.912 4.318 -0.406 1
1 1341 . 4 1 1 A 111 111 TRP C C 111 178.020 178.557 -0.537 1
1 1342 . 4 1 1 A 111 111 TRP CA C 111 62.464 60.481 1.983 1
1 1343 . 4 1 1 A 111 111 TRP CB C 111 29.548 29.455 0.093 1
1 1349 . 4 1 1 A 111 111 TRP N N 111 120.868 120.886 -0.018 1
1 1351 . 4 1 1 A 112 112 ILE H H 112 8.271 7.670 0.601 1
1 1352 . 4 1 1 A 112 112 ILE HA H 112 3.254 3.566 -0.312 1
1 1362 . 4 1 1 A 112 112 ILE C C 112 177.669 178.058 -0.389 1
1 1363 . 4 1 1 A 112 112 ILE CA C 112 67.040 64.937 2.103 1
1 1364 . 4 1 1 A 112 112 ILE CB C 112 37.856 37.546 0.310 1
1 1368 . 4 1 1 A 112 112 ILE N N 112 118.862 119.469 -0.607 1
1 1369 . 4 1 1 A 113 113 LYS H H 113 8.042 8.151 -0.109 1
1 1370 . 4 1 1 A 113 113 LYS HA H 113 3.991 4.013 -0.022 1
1 1379 . 4 1 1 A 113 113 LYS C C 113 178.977 179.249 -0.272 1
1 1380 . 4 1 1 A 113 113 LYS CA C 113 59.328 59.292 0.036 1
1 1381 . 4 1 1 A 113 113 LYS CB C 113 32.345 32.107 0.238 1
1 1385 . 4 1 1 A 113 113 LYS N N 113 117.182 119.902 -2.720 1
1 1386 . 4 1 1 A 114 114 ALA H H 114 7.686 8.862 -1.176 1
1 1387 . 4 1 1 A 114 114 ALA HA H 114 4.058 4.049 0.009 1
1 1391 . 4 1 1 A 114 114 ALA C C 114 179.849 179.854 -0.005 1
1 1392 . 4 1 1 A 114 114 ALA CA C 114 55.146 55.146 0.000 1
1 1393 . 4 1 1 A 114 114 ALA CB C 114 18.362 18.602 -0.240 1
1 1394 . 4 1 1 A 114 114 ALA N N 114 120.689 121.917 -1.228 1
1 1395 . 4 1 1 A 115 115 ILE H H 115 8.594 8.960 -0.366 1
1 1396 . 4 1 1 A 115 115 ILE HA H 115 3.534 3.617 -0.083 1
1 1406 . 4 1 1 A 115 115 ILE C C 115 178.432 178.090 0.342 1
1 1407 . 4 1 1 A 115 115 ILE CA C 115 66.016 65.635 0.381 1
1 1408 . 4 1 1 A 115 115 ILE CB C 115 38.390 37.620 0.770 1
1 1412 . 4 1 1 A 115 115 ILE N N 115 118.898 118.034 0.864 1
1 1413 . 4 1 1 A 116 116 GLN H H 116 8.732 8.683 0.049 1
1 1414 . 4 1 1 A 116 116 GLN HA H 116 3.851 4.352 -0.501 1
1 1421 . 4 1 1 A 116 116 GLN C C 116 179.655 178.260 1.395 1
1 1422 . 4 1 1 A 116 116 GLN CA C 116 59.575 59.198 0.377 1
1 1423 . 4 1 1 A 116 116 GLN CB C 116 28.222 28.647 -0.425 1
1 1425 . 4 1 1 A 116 116 GLN N N 116 119.877 118.606 1.271 1
1 1427 . 4 1 1 A 117 117 MET H H 117 8.279 8.554 -0.275 1
1 1428 . 4 1 1 A 117 117 MET HA H 117 4.155 3.959 0.196 1
1 1436 . 4 1 1 A 117 117 MET C C 117 179.123 178.064 1.059 1
1 1437 . 4 1 1 A 117 117 MET CA C 117 58.658 58.713 -0.055 1
1 1438 . 4 1 1 A 117 117 MET CB C 117 31.934 32.106 -0.172 1
1 1441 . 4 1 1 A 117 117 MET N N 117 118.855 119.506 -0.651 1
1 1442 . 4 1 1 A 118 118 ALA H H 118 8.266 7.654 0.612 1
1 1443 . 4 1 1 A 118 118 ALA HA H 118 4.240 4.060 0.180 1
1 1447 . 4 1 1 A 118 118 ALA C C 118 178.820 179.613 -0.793 1
1 1448 . 4 1 1 A 118 118 ALA CA C 118 54.604 55.151 -0.547 1
1 1449 . 4 1 1 A 118 118 ALA CB C 118 18.627 18.567 0.060 1
1 1450 . 4 1 1 A 118 118 ALA N N 118 121.702 122.175 -0.473 1
1 1451 . 4 1 1 A 119 119 SER H H 119 8.073 9.160 -1.087 1
1 1452 . 4 1 1 A 119 119 SER HA H 119 4.027 4.170 -0.143 1
1 1455 . 4 1 1 A 119 119 SER C C 119 174.663 177.205 -2.542 1
1 1456 . 4 1 1 A 119 119 SER CA C 119 60.122 61.711 -1.589 1
1 1457 . 4 1 1 A 119 119 SER CB C 119 64.299 62.467 1.832 1
1 1458 . 4 1 1 A 119 119 SER N N 119 110.080 112.899 -2.819 1
1 1459 . 4 1 1 A 120 120 ARG H H 120 7.345 8.522 -1.177 1
1 1460 . 4 1 1 A 120 120 ARG HA H 120 4.383 4.086 0.297 1
1 1467 . 4 1 1 A 120 120 ARG C C 120 176.372 176.720 -0.348 1
1 1468 . 4 1 1 A 120 120 ARG CA C 120 56.681 58.782 -2.101 1
1 1469 . 4 1 1 A 120 120 ARG CB C 120 30.248 30.124 0.124 1
1 1472 . 4 1 1 A 120 120 ARG N N 120 120.244 121.768 -1.524 1
1 1473 . 4 1 1 A 121 121 THR H H 121 8.070 8.746 -0.676 1
1 1474 . 4 1 1 A 121 121 THR HA H 121 4.365 4.283 0.082 1
1 1479 . 4 1 1 A 121 121 THR C C 121 175.281 175.012 0.269 1
1 1480 . 4 1 1 A 121 121 THR CA C 121 62.557 62.990 -0.433 1
1 1481 . 4 1 1 A 121 121 THR CB C 121 70.298 69.086 1.212 1
1 1483 . 4 1 1 A 121 121 THR N N 121 114.024 114.249 -0.225 1
1 1484 . 4 1 1 A 122 122 GLY H H 122 8.520 8.821 -0.301 1
1 1485 . 4 1 1 A 122 122 GLY HA2 H 122 4.005 3.772 0.233 1
1 1486 . 4 1 1 A 122 122 GLY HA3 H 122 4.005 3.773 0.232 1
1 1487 . 4 1 1 A 122 122 GLY C C 122 174.118 174.669 -0.551 1
1 1488 . 4 1 1 A 122 122 GLY CA C 122 45.351 46.864 -1.513 1
1 1489 . 4 1 1 A 122 122 GLY N N 122 111.123 110.580 0.543 1
1 1490 . 4 1 1 A 123 123 LYS H H 123 8.309 8.107 0.202 1
1 1491 . 4 1 1 A 123 123 LYS HA H 123 4.364 4.241 0.123 1
1 1500 . 4 1 1 A 123 123 LYS C C 123 176.772 177.715 -0.943 1
1 1501 . 4 1 1 A 123 123 LYS CA C 123 56.310 58.511 -2.201 1
1 1502 . 4 1 1 A 123 123 LYS CB C 123 33.167 32.217 0.950 1
1 1506 . 4 1 1 A 123 123 LYS N N 123 121.100 119.275 1.825 1
1 1507 . 4 1 1 A 124 124 SER H H 124 8.453 8.507 -0.054 1
1 1508 . 4 1 1 A 124 124 SER HA H 124 4.489 4.293 0.196 1
1 1509 . 4 1 1 A 124 124 SER C C 124 174.518 174.971 -0.453 1
1 1510 . 4 1 1 A 124 124 SER CA C 124 58.357 61.975 -3.618 1
1 1511 . 4 1 1 A 124 124 SER CB C 124 64.052 63.456 0.596 1
1 1512 . 4 1 1 A 124 124 SER N N 124 117.316 114.100 3.216 1
1 1513 . 4 1 1 A 125 125 GLY H H 125 8.278 7.382 0.896 1
1 1514 . 4 1 1 A 125 125 GLY HA2 H 125 4.154 4.056 0.098 1
1 1515 . 4 1 1 A 125 125 GLY HA3 H 125 4.102 4.056 0.046 1
1 1516 . 4 1 1 A 125 125 GLY C C 125 171.827 170.988 0.839 1
1 1517 . 4 1 1 A 125 125 GLY CA C 125 44.680 45.322 -0.642 1
1 1518 . 4 1 1 A 125 125 GLY N N 125 110.670 104.714 5.956 1
1 1519 . 4 1 1 A 126 126 PRO HA H 126 4.461 4.614 -0.153 1
1 1526 . 4 1 1 A 126 126 PRO C C 126 177.426 176.448 0.978 1
1 1527 . 4 1 1 A 126 126 PRO CA C 126 63.281 62.728 0.553 1
1 1528 . 4 1 1 A 126 126 PRO CB C 126 32.263 32.338 -0.075 1
1 1531 . 4 1 1 A 127 127 SER H H 127 8.556 8.350 0.206 1
1 1532 . 4 1 1 A 127 127 SER HA H 127 4.489 4.839 -0.350 1
1 1535 . 4 1 1 A 127 127 SER C C 127 174.651 175.321 -0.670 1
1 1536 . 4 1 1 A 127 127 SER CA C 127 58.410 58.648 -0.238 1
1 1537 . 4 1 1 A 127 127 SER CB C 127 63.682 64.732 -1.050 1
1 1538 . 4 1 1 A 127 127 SER N N 127 116.423 117.881 -1.458 1
1 1539 . 4 1 1 A 128 128 SER H H 128 8.313 8.851 -0.538 1
1 1540 . 4 1 1 A 128 128 SER HA H 128 4.489 4.562 -0.073 1
1 1543 . 4 1 1 A 128 128 SER C C 128 173.936 174.737 -0.801 1
1 1544 . 4 1 1 A 128 128 SER CA C 128 58.393 58.388 0.005 1
1 1545 . 4 1 1 A 128 128 SER CB C 128 64.052 63.930 0.122 1
1 1546 . 4 1 1 A 128 128 SER N N 128 117.750 117.209 0.541 1
1 1 . 5 1 1 A 6 6 SER HA H 6 4.475 5.111 -0.636 1
1 4 . 5 1 1 A 6 6 SER C C 6 174.978 174.449 0.529 1
1 5 . 5 1 1 A 6 6 SER CA C 6 58.657 57.097 1.560 1
1 6 . 5 1 1 A 6 6 SER CB C 6 63.682 65.728 -2.046 1
1 7 . 5 1 1 A 7 7 GLY H H 7 8.385 8.207 0.178 1
1 8 . 5 1 1 A 7 7 GLY HA2 H 7 3.947 4.016 -0.069 1
1 9 . 5 1 1 A 7 7 GLY HA3 H 7 3.947 4.017 -0.070 1
1 10 . 5 1 1 A 7 7 GLY C C 7 173.900 173.242 0.658 1
1 11 . 5 1 1 A 7 7 GLY CA C 7 45.280 45.504 -0.224 1
1 12 . 5 1 1 A 7 7 GLY N N 7 110.753 110.074 0.679 1
1 13 . 5 1 1 A 8 8 VAL H H 8 7.896 7.886 0.010 1
1 14 . 5 1 1 A 8 8 VAL HA H 8 4.046 4.681 -0.635 1
1 22 . 5 1 1 A 8 8 VAL C C 8 175.948 174.514 1.434 1
1 23 . 5 1 1 A 8 8 VAL CA C 8 62.399 59.487 2.912 1
1 24 . 5 1 1 A 8 8 VAL CB C 8 32.904 35.613 -2.709 1
1 27 . 5 1 1 A 8 8 VAL N N 8 119.771 119.737 0.034 1
1 28 . 5 1 1 A 9 9 ILE H H 9 8.253 8.588 -0.335 1
1 29 . 5 1 1 A 9 9 ILE HA H 9 4.103 4.084 0.019 1
1 39 . 5 1 1 A 9 9 ILE C C 9 175.984 175.524 0.460 1
1 40 . 5 1 1 A 9 9 ILE CA C 9 60.657 62.165 -1.508 1
1 41 . 5 1 1 A 9 9 ILE CB C 9 38.349 38.039 0.310 1
1 45 . 5 1 1 A 9 9 ILE N N 9 125.791 124.426 1.365 1
1 46 . 5 1 1 A 10 10 LEU H H 10 8.374 8.451 -0.077 1
1 47 . 5 1 1 A 10 10 LEU HA H 10 4.379 5.146 -0.767 1
1 57 . 5 1 1 A 10 10 LEU C C 10 177.171 175.363 1.808 1
1 58 . 5 1 1 A 10 10 LEU CA C 10 54.598 53.412 1.186 1
1 59 . 5 1 1 A 10 10 LEU CB C 10 42.873 45.235 -2.362 1
1 63 . 5 1 1 A 10 10 LEU N N 10 127.929 127.574 0.355 1
1 64 . 5 1 1 A 11 11 LYS H H 11 8.414 8.752 -0.338 1
1 65 . 5 1 1 A 11 11 LYS HA H 11 4.214 4.099 0.115 1
1 74 . 5 1 1 A 11 11 LYS C C 11 177.244 178.133 -0.889 1
1 75 . 5 1 1 A 11 11 LYS CA C 11 57.051 56.094 0.957 1
1 76 . 5 1 1 A 11 11 LYS CB C 11 33.332 31.759 1.573 1
1 80 . 5 1 1 A 11 11 LYS N N 11 123.211 126.356 -3.145 1
1 81 . 5 1 1 A 12 12 GLU H H 12 8.629 8.779 -0.150 1
1 82 . 5 1 1 A 12 12 GLU HA H 12 3.745 4.102 -0.357 1
1 87 . 5 1 1 A 12 12 GLU C C 12 177.366 178.444 -1.078 1
1 88 . 5 1 1 A 12 12 GLU CA C 12 59.663 59.315 0.348 1
1 89 . 5 1 1 A 12 12 GLU CB C 12 29.672 29.120 0.552 1
1 91 . 5 1 1 A 12 12 GLU N N 12 122.998 125.496 -2.498 1
1 92 . 5 1 1 A 13 13 GLU H H 13 8.043 8.579 -0.536 1
1 93 . 5 1 1 A 13 13 GLU HA H 13 3.333 4.226 -0.893 1
1 98 . 5 1 1 A 13 13 GLU C C 13 175.451 178.201 -2.750 1
1 99 . 5 1 1 A 13 13 GLU CA C 13 57.634 59.206 -1.572 1
1 100 . 5 1 1 A 13 13 GLU CB C 13 28.567 28.969 -0.402 1
1 102 . 5 1 1 A 13 13 GLU N N 13 113.498 119.036 -5.538 1
1 103 . 5 1 1 A 14 14 PHE H H 14 7.483 8.202 -0.719 1
1 104 . 5 1 1 A 14 14 PHE HA H 14 4.650 4.353 0.297 1
1 112 . 5 1 1 A 14 14 PHE C C 14 175.657 178.101 -2.444 1
1 113 . 5 1 1 A 14 14 PHE CA C 14 56.187 61.488 -5.301 1
1 114 . 5 1 1 A 14 14 PHE CB C 14 39.665 38.361 1.304 1
1 120 . 5 1 1 A 14 14 PHE N N 14 115.879 118.313 -2.434 1
1 121 . 5 1 1 A 15 15 ARG H H 15 7.757 8.308 -0.551 1
1 122 . 5 1 1 A 15 15 ARG HA H 15 4.154 4.077 0.077 1
1 129 . 5 1 1 A 15 15 ARG C C 15 177.353 178.214 -0.861 1
1 130 . 5 1 1 A 15 15 ARG CA C 15 58.092 59.170 -1.078 1
1 131 . 5 1 1 A 15 15 ARG CB C 15 31.193 29.984 1.209 1
1 134 . 5 1 1 A 15 15 ARG N N 15 118.945 120.428 -1.483 1
1 135 . 5 1 1 A 16 16 GLY H H 16 8.812 7.997 0.815 1
1 136 . 5 1 1 A 16 16 GLY HA2 H 16 4.194 4.119 0.075 1
1 137 . 5 1 1 A 16 16 GLY HA3 H 16 3.824 4.146 -0.322 1
1 138 . 5 1 1 A 16 16 GLY C C 16 173.427 172.771 0.656 1
1 139 . 5 1 1 A 16 16 GLY CA C 16 45.157 44.622 0.535 1
1 140 . 5 1 1 A 16 16 GLY N N 16 109.133 108.750 0.383 1
1 141 . 5 1 1 A 17 17 VAL H H 17 8.308 7.746 0.562 1
1 142 . 5 1 1 A 17 17 VAL HA H 17 4.060 4.852 -0.792 1
1 150 . 5 1 1 A 17 17 VAL C C 17 176.469 174.253 2.216 1
1 151 . 5 1 1 A 17 17 VAL CA C 17 62.098 59.346 2.752 1
1 152 . 5 1 1 A 17 17 VAL CB C 17 33.414 35.724 -2.310 1
1 155 . 5 1 1 A 17 17 VAL N N 17 120.815 118.878 1.937 1
1 156 . 5 1 1 A 18 18 ILE H H 18 8.547 8.806 -0.259 1
1 157 . 5 1 1 A 18 18 ILE HA H 18 4.186 4.846 -0.660 1
1 167 . 5 1 1 A 18 18 ILE C C 18 177.208 176.573 0.635 1
1 168 . 5 1 1 A 18 18 ILE CA C 18 63.175 59.908 3.267 1
1 169 . 5 1 1 A 18 18 ILE CB C 18 38.596 39.532 -0.936 1
1 173 . 5 1 1 A 18 18 ILE N N 18 125.006 123.896 1.110 1
1 174 . 5 1 1 A 19 19 ILE H H 19 9.127 8.468 0.659 1
1 175 . 5 1 1 A 19 19 ILE HA H 19 4.461 4.454 0.007 1
1 185 . 5 1 1 A 19 19 ILE C C 19 176.081 175.545 0.536 1
1 186 . 5 1 1 A 19 19 ILE CA C 19 60.298 61.362 -1.064 1
1 187 . 5 1 1 A 19 19 ILE CB C 19 39.665 40.076 -0.411 1
1 191 . 5 1 1 A 19 19 ILE N N 19 124.358 120.390 3.968 1
1 192 . 5 1 1 A 20 20 LYS H H 20 7.620 7.849 -0.229 1
1 193 . 5 1 1 A 20 20 LYS HA H 20 4.325 4.776 -0.451 1
1 202 . 5 1 1 A 20 20 LYS C C 20 172.760 174.110 -1.350 1
1 203 . 5 1 1 A 20 20 LYS CA C 20 57.298 55.270 2.028 1
1 204 . 5 1 1 A 20 20 LYS CB C 20 36.458 35.606 0.852 1
1 208 . 5 1 1 A 20 20 LYS N N 20 121.749 121.816 -0.067 1
1 209 . 5 1 1 A 21 21 GLN H H 21 8.572 8.594 -0.022 1
1 210 . 5 1 1 A 21 21 GLN HA H 21 5.927 5.526 0.401 1
1 217 . 5 1 1 A 21 21 GLN C C 21 175.124 174.712 0.412 1
1 218 . 5 1 1 A 21 21 GLN CA C 21 54.227 54.732 -0.505 1
1 219 . 5 1 1 A 21 21 GLN CB C 21 33.369 33.026 0.343 1
1 221 . 5 1 1 A 21 21 GLN N N 21 121.653 124.281 -2.628 1
1 223 . 5 1 1 A 22 22 GLY H H 22 9.178 8.233 0.945 1
1 224 . 5 1 1 A 22 22 GLY HA2 H 22 4.904 4.354 0.550 1
1 225 . 5 1 1 A 22 22 GLY HA3 H 22 4.447 4.456 -0.009 1
1 226 . 5 1 1 A 22 22 GLY C C 22 172.300 172.072 0.228 1
1 227 . 5 1 1 A 22 22 GLY CA C 22 45.650 45.319 0.331 1
1 228 . 5 1 1 A 22 22 GLY N N 22 108.544 108.434 0.110 1
1 229 . 5 1 1 A 23 23 CYS H H 23 9.262 8.429 0.833 1
1 230 . 5 1 1 A 23 23 CYS HA H 23 5.904 5.885 0.019 1
1 233 . 5 1 1 A 23 23 CYS C C 23 175.293 173.556 1.737 1
1 234 . 5 1 1 A 23 23 CYS CA C 23 59.222 57.737 1.485 1
1 235 . 5 1 1 A 23 23 CYS CB C 23 29.260 30.465 -1.205 1
1 236 . 5 1 1 A 23 23 CYS N N 23 118.575 119.612 -1.037 1
1 237 . 5 1 1 A 24 24 LEU H H 24 9.131 9.893 -0.762 1
1 238 . 5 1 1 A 24 24 LEU HA H 24 4.627 5.099 -0.472 1
1 248 . 5 1 1 A 24 24 LEU C C 24 175.354 175.477 -0.123 1
1 249 . 5 1 1 A 24 24 LEU CA C 24 53.963 53.649 0.314 1
1 250 . 5 1 1 A 24 24 LEU CB C 24 47.315 46.321 0.994 1
1 254 . 5 1 1 A 24 24 LEU N N 24 122.880 123.697 -0.817 1
1 255 . 5 1 1 A 25 25 LEU H H 25 7.968 8.905 -0.937 1
1 256 . 5 1 1 A 25 25 LEU HA H 25 5.056 5.518 -0.462 1
1 266 . 5 1 1 A 25 25 LEU C C 25 175.766 175.120 0.646 1
1 267 . 5 1 1 A 25 25 LEU CA C 25 54.810 54.407 0.403 1
1 268 . 5 1 1 A 25 25 LEU CB C 25 44.065 42.407 1.658 1
1 272 . 5 1 1 A 25 25 LEU N N 25 119.755 121.911 -2.156 1
1 273 . 5 1 1 A 26 26 LYS H H 26 9.307 9.149 0.158 1
1 274 . 5 1 1 A 26 26 LYS HA H 26 5.166 4.818 0.348 1
1 283 . 5 1 1 A 26 26 LYS C C 26 175.778 176.105 -0.327 1
1 284 . 5 1 1 A 26 26 LYS CA C 26 54.687 55.593 -0.906 1
1 285 . 5 1 1 A 26 26 LYS CB C 26 37.033 33.938 3.095 1
1 289 . 5 1 1 A 26 26 LYS N N 26 122.635 126.546 -3.911 1
1 290 . 5 1 1 A 27 27 GLN H H 27 8.228 8.250 -0.022 1
1 291 . 5 1 1 A 27 27 GLN HA H 27 3.839 4.232 -0.393 1
1 298 . 5 1 1 A 27 27 GLN C C 27 176.869 175.911 0.958 1
1 299 . 5 1 1 A 27 27 GLN CA C 27 55.922 55.309 0.613 1
1 300 . 5 1 1 A 27 27 GLN CB C 27 29.589 29.075 0.514 1
1 302 . 5 1 1 A 27 27 GLN N N 27 132.145 126.399 5.746 1
1 304 . 5 1 1 A 28 28 GLY H H 28 8.434 8.411 0.023 1
1 305 . 5 1 1 A 28 28 GLY HA2 H 28 4.144 4.006 0.138 1
1 306 . 5 1 1 A 28 28 GLY HA3 H 28 3.999 4.007 -0.008 1
1 307 . 5 1 1 A 28 28 GLY CA C 28 45.457 46.085 -0.628 1
1 308 . 5 1 1 A 28 28 GLY N N 28 114.691 111.452 3.239 1
1 309 . 5 1 1 A 29 29 HIS HA H 29 4.352 4.736 -0.384 1
1 314 . 5 1 1 A 29 29 HIS CA C 29 58.505 56.015 2.490 1
1 315 . 5 1 1 A 29 29 HIS CB C 29 30.967 31.171 -0.204 1
1 318 . 5 1 1 A 30 30 ARG HA H 30 4.114 4.414 -0.300 1
1 325 . 5 1 1 A 30 30 ARG CA C 30 56.429 56.816 -0.387 1
1 326 . 5 1 1 A 30 30 ARG CB C 30 29.591 32.110 -2.519 1
1 329 . 5 1 1 A 31 31 ARG HA H 31 3.774 4.110 -0.336 1
1 336 . 5 1 1 A 31 31 ARG C C 31 175.536 176.445 -0.909 1
1 337 . 5 1 1 A 31 31 ARG CA C 31 55.922 56.415 -0.493 1
1 338 . 5 1 1 A 31 31 ARG CB C 31 29.302 30.955 -1.653 1
1 341 . 5 1 1 A 32 32 LYS H H 32 8.011 8.686 -0.675 1
1 342 . 5 1 1 A 32 32 LYS HA H 32 4.164 4.174 -0.010 1
1 351 . 5 1 1 A 32 32 LYS C C 32 175.741 175.232 0.509 1
1 352 . 5 1 1 A 32 32 LYS CA C 32 56.239 58.369 -2.130 1
1 353 . 5 1 1 A 32 32 LYS CB C 32 32.016 31.231 0.785 1
1 357 . 5 1 1 A 32 32 LYS N N 32 117.463 119.023 -1.560 1
1 358 . 5 1 1 A 33 33 ASN H H 33 7.870 8.709 -0.839 1
1 359 . 5 1 1 A 33 33 ASN HA H 33 4.807 4.900 -0.093 1
1 364 . 5 1 1 A 33 33 ASN C C 33 173.681 175.578 -1.897 1
1 365 . 5 1 1 A 33 33 ASN CA C 33 52.551 52.089 0.462 1
1 366 . 5 1 1 A 33 33 ASN CB C 33 39.830 40.297 -0.467 1
1 367 . 5 1 1 A 33 33 ASN N N 33 117.522 119.435 -1.913 1
1 369 . 5 1 1 A 34 34 TRP H H 34 8.704 8.767 -0.063 1
1 370 . 5 1 1 A 34 34 TRP HA H 34 4.807 4.854 -0.047 1
1 379 . 5 1 1 A 34 34 TRP C C 34 176.129 176.347 -0.218 1
1 380 . 5 1 1 A 34 34 TRP CA C 34 56.540 57.724 -1.184 1
1 381 . 5 1 1 A 34 34 TRP CB C 34 31.399 29.966 1.433 1
1 387 . 5 1 1 A 34 34 TRP N N 34 121.620 120.418 1.202 1
1 389 . 5 1 1 A 35 35 LYS H H 35 8.457 8.744 -0.287 1
1 390 . 5 1 1 A 35 35 LYS HA H 35 4.876 5.101 -0.225 1
1 399 . 5 1 1 A 35 35 LYS C C 35 176.081 175.052 1.029 1
1 400 . 5 1 1 A 35 35 LYS CA C 35 54.298 54.441 -0.143 1
1 401 . 5 1 1 A 35 35 LYS CB C 35 36.498 36.242 0.256 1
1 405 . 5 1 1 A 35 35 LYS N N 35 120.816 120.240 0.576 1
1 406 . 5 1 1 A 36 36 VAL H H 36 8.974 8.522 0.452 1
1 407 . 5 1 1 A 36 36 VAL HA H 36 4.254 4.864 -0.610 1
1 415 . 5 1 1 A 36 36 VAL C C 36 176.808 175.628 1.180 1
1 416 . 5 1 1 A 36 36 VAL CA C 36 63.828 61.259 2.569 1
1 417 . 5 1 1 A 36 36 VAL CB C 36 31.687 33.120 -1.433 1
1 420 . 5 1 1 A 36 36 VAL N N 36 123.825 121.865 1.960 1
1 421 . 5 1 1 A 37 37 ARG H H 37 9.327 9.103 0.224 1
1 422 . 5 1 1 A 37 37 ARG HA H 37 4.930 4.939 -0.009 1
1 427 . 5 1 1 A 37 37 ARG C C 37 173.815 174.412 -0.597 1
1 428 . 5 1 1 A 37 37 ARG CA C 37 54.351 54.127 0.224 1
1 429 . 5 1 1 A 37 37 ARG CB C 37 34.709 34.463 0.246 1
1 432 . 5 1 1 A 37 37 ARG N N 37 128.926 125.379 3.547 1
1 433 . 5 1 1 A 38 38 LYS H H 38 8.714 8.659 0.055 1
1 434 . 5 1 1 A 38 38 LYS HA H 38 4.959 4.989 -0.030 1
1 443 . 5 1 1 A 38 38 LYS C C 38 175.075 175.489 -0.414 1
1 444 . 5 1 1 A 38 38 LYS CA C 38 55.869 56.114 -0.245 1
1 445 . 5 1 1 A 38 38 LYS CB C 38 34.072 33.687 0.385 1
1 449 . 5 1 1 A 38 38 LYS N N 38 121.669 122.909 -1.240 1
1 450 . 5 1 1 A 39 39 PHE H H 39 9.751 10.037 -0.286 1
1 451 . 5 1 1 A 39 39 PHE HA H 39 5.591 5.293 0.298 1
1 459 . 5 1 1 A 39 39 PHE C C 39 175.414 175.272 0.142 1
1 460 . 5 1 1 A 39 39 PHE CA C 39 57.474 56.779 0.695 1
1 461 . 5 1 1 A 39 39 PHE CB C 39 42.667 42.082 0.585 1
1 467 . 5 1 1 A 39 39 PHE N N 39 127.216 124.445 2.771 1
1 468 . 5 1 1 A 40 40 ILE H H 40 9.246 10.581 -1.335 1
1 469 . 5 1 1 A 40 40 ILE HA H 40 4.864 5.131 -0.267 1
1 479 . 5 1 1 A 40 40 ILE C C 40 174.724 174.108 0.616 1
1 480 . 5 1 1 A 40 40 ILE CA C 40 62.134 60.265 1.869 1
1 481 . 5 1 1 A 40 40 ILE CB C 40 41.022 41.211 -0.189 1
1 485 . 5 1 1 A 40 40 ILE N N 40 119.337 123.257 -3.920 1
1 486 . 5 1 1 A 41 41 LEU H H 41 9.549 9.357 0.192 1
1 487 . 5 1 1 A 41 41 LEU HA H 41 5.485 5.360 0.125 1
1 497 . 5 1 1 A 41 41 LEU C C 41 174.457 174.839 -0.382 1
1 498 . 5 1 1 A 41 41 LEU CA C 41 54.004 53.768 0.236 1
1 499 . 5 1 1 A 41 41 LEU CB C 41 45.299 45.365 -0.066 1
1 503 . 5 1 1 A 41 41 LEU N N 41 132.451 130.916 1.535 1
1 504 . 5 1 1 A 42 42 ARG H H 42 9.383 9.434 -0.051 1
1 505 . 5 1 1 A 42 42 ARG HA H 42 5.492 5.511 -0.019 1
1 513 . 5 1 1 A 42 42 ARG C C 42 174.893 175.059 -0.166 1
1 514 . 5 1 1 A 42 42 ARG CA C 42 54.421 54.418 0.003 1
1 515 . 5 1 1 A 42 42 ARG CB C 42 35.470 33.566 1.904 1
1 518 . 5 1 1 A 42 42 ARG N N 42 128.467 125.511 2.956 1
1 520 . 5 1 1 A 43 43 GLU H H 43 8.259 8.339 -0.080 1
1 521 . 5 1 1 A 43 43 GLU HA H 43 4.366 4.849 -0.483 1
1 526 . 5 1 1 A 43 43 GLU C C 43 174.893 175.750 -0.857 1
1 527 . 5 1 1 A 43 43 GLU CA C 43 54.898 55.648 -0.750 1
1 528 . 5 1 1 A 43 43 GLU CB C 43 33.102 31.259 1.843 1
1 530 . 5 1 1 A 43 43 GLU N N 43 115.434 122.991 -7.557 1
1 531 . 5 1 1 A 44 44 ASP H H 44 7.870 9.034 -1.164 1
1 532 . 5 1 1 A 44 44 ASP HA H 44 4.433 4.302 0.131 1
1 535 . 5 1 1 A 44 44 ASP C C 44 172.991 174.275 -1.284 1
1 536 . 5 1 1 A 44 44 ASP CA C 44 53.892 54.929 -1.037 1
1 537 . 5 1 1 A 44 44 ASP CB C 44 41.146 39.653 1.493 1
1 538 . 5 1 1 A 44 44 ASP N N 44 114.444 120.009 -5.565 1
1 539 . 5 1 1 A 45 45 PRO HA H 45 4.710 4.629 0.081 1
1 546 . 5 1 1 A 45 45 PRO C C 45 176.747 175.522 1.225 1
1 547 . 5 1 1 A 45 45 PRO CA C 45 63.246 62.679 0.567 1
1 548 . 5 1 1 A 45 45 PRO CB C 45 34.977 32.767 2.210 1
1 551 . 5 1 1 A 46 46 ALA H H 46 8.356 8.286 0.070 1
1 552 . 5 1 1 A 46 46 ALA HA H 46 5.049 5.042 0.007 1
1 556 . 5 1 1 A 46 46 ALA C C 46 175.499 176.197 -0.698 1
1 557 . 5 1 1 A 46 46 ALA CA C 46 51.545 50.859 0.686 1
1 558 . 5 1 1 A 46 46 ALA CB C 46 19.655 19.512 0.143 1
1 559 . 5 1 1 A 46 46 ALA N N 46 122.969 123.606 -0.637 1
1 560 . 5 1 1 A 47 47 TYR H H 47 8.047 9.402 -1.355 1
1 561 . 5 1 1 A 47 47 TYR HA H 47 5.097 5.200 -0.103 1
1 568 . 5 1 1 A 47 47 TYR C C 47 173.730 174.461 -0.731 1
1 569 . 5 1 1 A 47 47 TYR CA C 47 57.563 56.429 1.134 1
1 570 . 5 1 1 A 47 47 TYR CB C 47 45.711 43.217 2.494 1
1 575 . 5 1 1 A 47 47 TYR N N 47 126.550 121.239 5.311 1
1 576 . 5 1 1 A 48 48 LEU H H 48 8.776 8.662 0.114 1
1 577 . 5 1 1 A 48 48 LEU HA H 48 5.578 5.512 0.066 1
1 587 . 5 1 1 A 48 48 LEU C C 48 175.039 174.916 0.123 1
1 588 . 5 1 1 A 48 48 LEU CA C 48 53.134 53.731 -0.597 1
1 589 . 5 1 1 A 48 48 LEU CB C 48 46.369 45.009 1.360 1
1 593 . 5 1 1 A 48 48 LEU N N 48 120.864 123.430 -2.566 1
1 594 . 5 1 1 A 49 49 HIS H H 49 8.974 9.465 -0.491 1
1 595 . 5 1 1 A 49 49 HIS HA H 49 5.181 5.168 0.013 1
1 600 . 5 1 1 A 49 49 HIS C C 49 174.712 173.947 0.765 1
1 601 . 5 1 1 A 49 49 HIS CA C 49 57.916 54.309 3.607 1
1 602 . 5 1 1 A 49 49 HIS CB C 49 35.347 32.258 3.089 1
1 605 . 5 1 1 A 49 49 HIS N N 49 124.417 126.380 -1.963 1
1 606 . 5 1 1 A 50 50 TYR H H 50 7.348 8.111 -0.763 1
1 607 . 5 1 1 A 50 50 TYR HA H 50 5.909 5.867 0.042 1
1 614 . 5 1 1 A 50 50 TYR C C 50 174.239 173.127 1.112 1
1 615 . 5 1 1 A 50 50 TYR CA C 50 53.610 54.961 -1.351 1
1 616 . 5 1 1 A 50 50 TYR CB C 50 40.077 41.431 -1.354 1
1 621 . 5 1 1 A 50 50 TYR N N 50 114.323 118.682 -4.359 1
1 622 . 5 1 1 A 51 51 TYR H H 51 9.230 9.038 0.192 1
1 623 . 5 1 1 A 51 51 TYR HA H 51 4.555 5.051 -0.496 1
1 630 . 5 1 1 A 51 51 TYR C C 51 175.572 174.691 0.881 1
1 631 . 5 1 1 A 51 51 TYR CA C 51 57.175 56.657 0.518 1
1 632 . 5 1 1 A 51 51 TYR CB C 51 42.709 42.473 0.236 1
1 637 . 5 1 1 A 51 51 TYR N N 51 117.695 120.656 -2.961 1
1 638 . 5 1 1 A 52 52 ASP H H 52 9.390 8.748 0.642 1
1 639 . 5 1 1 A 52 52 ASP HA H 52 4.937 4.828 0.109 1
1 642 . 5 1 1 A 52 52 ASP CA C 52 52.057 52.117 -0.060 1
1 643 . 5 1 1 A 52 52 ASP CB C 52 42.197 41.885 0.312 1
1 644 . 5 1 1 A 52 52 ASP N N 52 123.964 123.046 0.918 1
1 645 . 5 1 1 A 53 53 PRO HA H 53 4.274 4.396 -0.122 1
1 652 . 5 1 1 A 53 53 PRO C C 53 176.360 178.441 -2.081 1
1 653 . 5 1 1 A 53 53 PRO CA C 53 64.728 65.791 -1.063 1
1 654 . 5 1 1 A 53 53 PRO CB C 53 32.016 31.918 0.098 1
1 657 . 5 1 1 A 54 54 ALA H H 54 8.384 8.253 0.131 1
1 658 . 5 1 1 A 54 54 ALA HA H 54 4.492 4.138 0.354 1
1 662 . 5 1 1 A 54 54 ALA C C 54 177.620 177.540 0.080 1
1 663 . 5 1 1 A 54 54 ALA CA C 54 52.022 53.491 -1.469 1
1 664 . 5 1 1 A 54 54 ALA CB C 54 19.202 19.555 -0.353 1
1 665 . 5 1 1 A 54 54 ALA N N 54 120.140 119.236 0.904 1
1 666 . 5 1 1 A 55 55 GLY H H 55 7.710 7.469 0.241 1
1 667 . 5 1 1 A 55 55 GLY HA2 H 55 4.194 3.999 0.195 1
1 668 . 5 1 1 A 55 55 GLY HA3 H 55 3.833 4.001 -0.168 1
1 669 . 5 1 1 A 55 55 GLY C C 55 173.524 171.452 2.072 1
1 670 . 5 1 1 A 55 55 GLY CA C 55 45.421 44.983 0.438 1
1 671 . 5 1 1 A 55 55 GLY N N 55 107.828 103.688 4.140 1
1 672 . 5 1 1 A 56 56 ALA H H 56 8.339 8.250 0.089 1
1 673 . 5 1 1 A 56 56 ALA HA H 56 4.378 4.708 -0.330 1
1 677 . 5 1 1 A 56 56 ALA C C 56 177.741 175.967 1.774 1
1 678 . 5 1 1 A 56 56 ALA CA C 56 52.410 51.590 0.820 1
1 679 . 5 1 1 A 56 56 ALA CB C 56 19.843 22.738 -2.895 1
1 680 . 5 1 1 A 56 56 ALA N N 56 125.269 121.398 3.871 1
1 681 . 5 1 1 A 57 57 GLU H H 57 8.567 8.593 -0.026 1
1 682 . 5 1 1 A 57 57 GLU HA H 57 4.160 4.616 -0.456 1
1 687 . 5 1 1 A 57 57 GLU C C 57 176.335 175.799 0.536 1
1 688 . 5 1 1 A 57 57 GLU CA C 57 57.616 57.357 0.259 1
1 689 . 5 1 1 A 57 57 GLU CB C 57 30.083 32.087 -2.004 1
1 691 . 5 1 1 A 57 57 GLU N N 57 119.341 116.535 2.806 1
1 692 . 5 1 1 A 58 58 ASP H H 58 7.718 7.917 -0.199 1
1 693 . 5 1 1 A 58 58 ASP HA H 58 5.010 4.860 0.150 1
1 696 . 5 1 1 A 58 58 ASP C C 58 173.209 175.084 -1.875 1
1 697 . 5 1 1 A 58 58 ASP CA C 58 52.128 52.468 -0.340 1
1 698 . 5 1 1 A 58 58 ASP CB C 58 40.981 41.286 -0.305 1
1 699 . 5 1 1 A 58 58 ASP N N 58 118.499 116.954 1.545 1
1 700 . 5 1 1 A 59 59 PRO HA H 59 3.493 4.089 -0.596 1
1 707 . 5 1 1 A 59 59 PRO C C 59 177.111 177.598 -0.487 1
1 708 . 5 1 1 A 59 59 PRO CA C 59 63.069 62.029 1.040 1
1 709 . 5 1 1 A 59 59 PRO CB C 59 31.229 31.757 -0.528 1
1 712 . 5 1 1 A 60 60 LEU H H 60 8.770 8.397 0.373 1
1 713 . 5 1 1 A 60 60 LEU HA H 60 4.114 4.013 0.101 1
1 723 . 5 1 1 A 60 60 LEU C C 60 177.268 176.406 0.862 1
1 724 . 5 1 1 A 60 60 LEU CA C 60 55.181 55.891 -0.710 1
1 725 . 5 1 1 A 60 60 LEU CB C 60 42.750 42.657 0.093 1
1 729 . 5 1 1 A 60 60 LEU N N 60 121.907 120.615 1.292 1
1 730 . 5 1 1 A 61 61 GLY H H 61 6.472 6.758 -0.286 1
1 731 . 5 1 1 A 61 61 GLY HA2 H 61 3.798 3.897 -0.099 1
1 732 . 5 1 1 A 61 61 GLY HA3 H 61 3.382 3.924 -0.542 1
1 733 . 5 1 1 A 61 61 GLY C C 61 169.367 170.625 -1.258 1
1 734 . 5 1 1 A 61 61 GLY CA C 61 45.033 45.357 -0.324 1
1 735 . 5 1 1 A 61 61 GLY N N 61 103.740 104.959 -1.219 1
1 736 . 5 1 1 A 62 62 ALA H H 62 8.024 8.309 -0.285 1
1 737 . 5 1 1 A 62 62 ALA HA H 62 4.644 5.127 -0.483 1
1 741 . 5 1 1 A 62 62 ALA C C 62 176.226 175.438 0.788 1
1 742 . 5 1 1 A 62 62 ALA CA C 62 50.839 51.106 -0.267 1
1 743 . 5 1 1 A 62 62 ALA CB C 62 23.914 22.649 1.265 1
1 744 . 5 1 1 A 62 62 ALA N N 62 120.249 121.281 -1.032 1
1 745 . 5 1 1 A 63 63 ILE H H 63 8.810 8.676 0.134 1
1 746 . 5 1 1 A 63 63 ILE HA H 63 4.119 4.733 -0.614 1
1 756 . 5 1 1 A 63 63 ILE C C 63 174.724 175.719 -0.995 1
1 757 . 5 1 1 A 63 63 ILE CA C 63 60.757 60.443 0.314 1
1 758 . 5 1 1 A 63 63 ILE CB C 63 40.319 39.391 0.928 1
1 762 . 5 1 1 A 63 63 ILE N N 63 122.110 119.473 2.637 1
1 763 . 5 1 1 A 64 64 HIS H H 64 9.073 9.106 -0.033 1
1 764 . 5 1 1 A 64 64 HIS HA H 64 3.948 4.417 -0.469 1
1 769 . 5 1 1 A 64 64 HIS C C 64 176.529 175.297 1.232 1
1 770 . 5 1 1 A 64 64 HIS CA C 64 54.951 57.652 -2.701 1
1 771 . 5 1 1 A 64 64 HIS CB C 64 30.494 30.716 -0.222 1
1 774 . 5 1 1 A 64 64 HIS N N 64 129.092 127.922 1.170 1
1 775 . 5 1 1 A 65 65 LEU H H 65 7.770 7.913 -0.143 1
1 776 . 5 1 1 A 65 65 LEU HA H 65 4.074 4.506 -0.432 1
1 786 . 5 1 1 A 65 65 LEU C C 65 176.808 176.984 -0.176 1
1 787 . 5 1 1 A 65 65 LEU CA C 65 54.951 54.530 0.421 1
1 788 . 5 1 1 A 65 65 LEU CB C 65 42.667 42.702 -0.035 1
1 792 . 5 1 1 A 65 65 LEU N N 65 124.760 127.869 -3.109 1
1 793 . 5 1 1 A 66 66 ARG H H 66 6.515 7.605 -1.090 1
1 794 . 5 1 1 A 66 66 ARG HA H 66 4.085 3.892 0.193 1
1 801 . 5 1 1 A 66 66 ARG C C 66 178.638 176.811 1.827 1
1 802 . 5 1 1 A 66 66 ARG CA C 66 58.092 57.972 0.120 1
1 803 . 5 1 1 A 66 66 ARG CB C 66 29.525 29.506 0.019 1
1 806 . 5 1 1 A 66 66 ARG N N 66 120.462 120.288 0.174 1
1 807 . 5 1 1 A 67 67 GLY H H 67 9.300 7.202 2.098 1
1 808 . 5 1 1 A 67 67 GLY HA2 H 67 4.045 4.003 0.042 1
1 809 . 5 1 1 A 67 67 GLY HA3 H 67 3.826 4.012 -0.186 1
1 810 . 5 1 1 A 67 67 GLY C C 67 173.996 173.796 0.200 1
1 811 . 5 1 1 A 67 67 GLY CA C 67 46.162 45.630 0.532 1
1 812 . 5 1 1 A 67 67 GLY N N 67 118.040 105.916 12.124 1
1 813 . 5 1 1 A 68 68 CYS H H 68 7.789 7.651 0.138 1
1 814 . 5 1 1 A 68 68 CYS HA H 68 4.779 4.452 0.327 1
1 817 . 5 1 1 A 68 68 CYS C C 68 173.148 174.049 -0.901 1
1 818 . 5 1 1 A 68 68 CYS CA C 68 57.545 59.156 -1.611 1
1 819 . 5 1 1 A 68 68 CYS CB C 68 28.644 28.980 -0.336 1
1 820 . 5 1 1 A 68 68 CYS N N 68 116.032 118.680 -2.648 1
1 821 . 5 1 1 A 69 69 VAL H H 69 8.665 9.565 -0.900 1
1 822 . 5 1 1 A 69 69 VAL HA H 69 4.364 4.867 -0.503 1
1 830 . 5 1 1 A 69 69 VAL C C 69 174.154 174.946 -0.792 1
1 831 . 5 1 1 A 69 69 VAL CA C 69 61.464 60.847 0.617 1
1 832 . 5 1 1 A 69 69 VAL CB C 69 35.041 35.281 -0.240 1
1 835 . 5 1 1 A 69 69 VAL N N 69 120.327 121.511 -1.184 1
1 836 . 5 1 1 A 70 70 VAL H H 70 8.656 8.631 0.025 1
1 837 . 5 1 1 A 70 70 VAL HA H 70 5.543 5.165 0.378 1
1 845 . 5 1 1 A 70 70 VAL C C 70 174.105 175.432 -1.327 1
1 846 . 5 1 1 A 70 70 VAL CA C 70 59.028 60.925 -1.897 1
1 847 . 5 1 1 A 70 70 VAL CB C 70 34.237 34.340 -0.103 1
1 850 . 5 1 1 A 70 70 VAL N N 70 124.719 125.738 -1.019 1
1 851 . 5 1 1 A 71 71 THR H H 71 8.883 8.546 0.337 1
1 852 . 5 1 1 A 71 71 THR HA H 71 4.724 4.784 -0.060 1
1 857 . 5 1 1 A 71 71 THR C C 71 173.087 172.225 0.862 1
1 858 . 5 1 1 A 71 71 THR CA C 71 59.875 60.900 -1.025 1
1 859 . 5 1 1 A 71 71 THR CB C 71 71.290 70.641 0.649 1
1 861 . 5 1 1 A 71 71 THR N N 71 120.107 120.141 -0.034 1
1 862 . 5 1 1 A 72 72 SER H H 72 8.706 8.822 -0.116 1
1 863 . 5 1 1 A 72 72 SER HA H 72 4.455 5.315 -0.860 1
1 866 . 5 1 1 A 72 72 SER C C 72 174.082 174.272 -0.190 1
1 867 . 5 1 1 A 72 72 SER CA C 72 59.204 57.511 1.693 1
1 868 . 5 1 1 A 72 72 SER CB C 72 63.476 65.266 -1.790 1
1 869 . 5 1 1 A 72 72 SER N N 72 120.128 119.843 0.285 1
1 870 . 5 1 1 A 73 73 VAL H H 73 7.825 8.772 -0.947 1
1 871 . 5 1 1 A 73 73 VAL HA H 73 4.302 4.546 -0.244 1
1 879 . 5 1 1 A 73 73 VAL C C 73 175.160 176.207 -1.047 1
1 880 . 5 1 1 A 73 73 VAL CA C 73 62.010 61.491 0.519 1
1 881 . 5 1 1 A 73 73 VAL CB C 73 33.579 33.685 -0.106 1
1 884 . 5 1 1 A 73 73 VAL N N 73 125.377 120.580 4.797 1
1 885 . 5 1 1 A 74 74 GLU H H 74 8.706 8.560 0.146 1
1 886 . 5 1 1 A 74 74 GLU HA H 74 4.544 4.667 -0.123 1
1 891 . 5 1 1 A 74 74 GLU C C 74 176.420 176.574 -0.154 1
1 892 . 5 1 1 A 74 74 GLU CA C 74 55.622 55.306 0.316 1
1 893 . 5 1 1 A 74 74 GLU CB C 74 30.741 29.003 1.738 1
1 895 . 5 1 1 A 74 74 GLU N N 74 126.564 119.799 6.765 1
1 896 . 5 1 1 A 75 75 SER H H 75 8.639 7.580 1.059 1
1 897 . 5 1 1 A 75 75 SER HA H 75 4.447 4.305 0.142 1
1 900 . 5 1 1 A 75 75 SER C C 75 174.299 174.576 -0.277 1
1 901 . 5 1 1 A 75 75 SER CA C 75 58.339 58.765 -0.426 1
1 902 . 5 1 1 A 75 75 SER CB C 75 64.170 63.889 0.281 1
1 903 . 5 1 1 A 75 75 SER N N 75 117.961 116.700 1.261 1
1 904 . 5 1 1 A 76 76 ASN H H 76 8.672 8.908 -0.236 1
1 905 . 5 1 1 A 76 76 ASN HA H 76 4.795 4.638 0.157 1
1 910 . 5 1 1 A 76 76 ASN C C 76 175.584 175.345 0.239 1
1 911 . 5 1 1 A 76 76 ASN CA C 76 53.292 55.919 -2.627 1
1 912 . 5 1 1 A 76 76 ASN CB C 76 39.089 39.424 -0.335 1
1 913 . 5 1 1 A 76 76 ASN N N 76 121.138 124.175 -3.037 1
1 915 . 5 1 1 A 78 78 ASN HA H 78 4.635 5.194 -0.559 1
1 920 . 5 1 1 A 78 78 ASN C C 78 175.681 174.407 1.274 1
1 921 . 5 1 1 A 78 78 ASN CA C 78 53.610 52.550 1.060 1
1 922 . 5 1 1 A 78 78 ASN CB C 78 38.496 41.154 -2.658 1
1 924 . 5 1 1 A 79 79 GLY H H 79 8.356 8.577 -0.221 1
1 925 . 5 1 1 A 79 79 GLY HA2 H 79 3.821 4.151 -0.330 1
1 926 . 5 1 1 A 79 79 GLY HA3 H 79 4.011 4.152 -0.141 1
1 927 . 5 1 1 A 79 79 GLY C C 79 174.154 175.344 -1.190 1
1 928 . 5 1 1 A 79 79 GLY CA C 79 45.563 44.370 1.193 1
1 929 . 5 1 1 A 79 79 GLY N N 79 108.284 113.271 -4.987 1
1 930 . 5 1 1 A 80 80 ARG H H 80 7.919 8.864 -0.945 1
1 931 . 5 1 1 A 80 80 ARG HA H 80 4.344 4.002 0.342 1
1 938 . 5 1 1 A 80 80 ARG C C 80 176.117 177.382 -1.265 1
1 939 . 5 1 1 A 80 80 ARG CA C 80 55.905 59.124 -3.219 1
1 940 . 5 1 1 A 80 80 ARG CB C 80 30.782 30.391 0.391 1
1 943 . 5 1 1 A 80 80 ARG N N 80 120.470 121.533 -1.063 1
1 944 . 5 1 1 A 81 81 LYS H H 81 8.427 7.783 0.644 1
1 945 . 5 1 1 A 81 81 LYS HA H 81 4.350 4.217 0.133 1
1 954 . 5 1 1 A 81 81 LYS C C 81 176.808 176.259 0.549 1
1 955 . 5 1 1 A 81 81 LYS CA C 81 56.416 56.565 -0.149 1
1 956 . 5 1 1 A 81 81 LYS CB C 81 32.797 32.622 0.175 1
1 960 . 5 1 1 A 81 81 LYS N N 81 122.963 119.316 3.647 1
1 961 . 5 1 1 A 82 82 SER H H 82 8.440 8.530 -0.090 1
1 962 . 5 1 1 A 82 82 SER HA H 82 4.380 4.738 -0.358 1
1 965 . 5 1 1 A 82 82 SER C C 82 174.833 174.478 0.355 1
1 966 . 5 1 1 A 82 82 SER CA C 82 58.763 57.655 1.108 1
1 967 . 5 1 1 A 82 82 SER CB C 82 63.723 62.981 0.742 1
1 968 . 5 1 1 A 82 82 SER N N 82 118.053 120.520 -2.467 1
1 969 . 5 1 1 A 83 83 GLU H H 83 8.648 8.846 -0.198 1
1 970 . 5 1 1 A 83 83 GLU HA H 83 4.233 4.132 0.101 1
1 975 . 5 1 1 A 83 83 GLU C C 83 176.311 175.489 0.822 1
1 976 . 5 1 1 A 83 83 GLU CA C 83 57.104 59.081 -1.977 1
1 977 . 5 1 1 A 83 83 GLU CB C 83 29.795 30.287 -0.492 1
1 979 . 5 1 1 A 83 83 GLU N N 83 121.793 125.738 -3.945 1
1 980 . 5 1 1 A 84 84 GLU H H 84 8.088 7.901 0.187 1
1 981 . 5 1 1 A 84 84 GLU HA H 84 4.161 4.432 -0.271 1
1 986 . 5 1 1 A 84 84 GLU C C 84 175.523 175.646 -0.123 1
1 987 . 5 1 1 A 84 84 GLU CA C 84 56.275 54.876 1.399 1
1 988 . 5 1 1 A 84 84 GLU CB C 84 30.165 32.791 -2.626 1
1 990 . 5 1 1 A 84 84 GLU N N 84 119.385 116.583 2.802 1
1 991 . 5 1 1 A 85 85 GLU H H 85 7.907 8.353 -0.446 1
1 992 . 5 1 1 A 85 85 GLU HA H 85 4.350 4.428 -0.078 1
1 997 . 5 1 1 A 85 85 GLU C C 85 175.002 176.176 -1.174 1
1 998 . 5 1 1 A 85 85 GLU CA C 85 55.569 55.786 -0.217 1
1 999 . 5 1 1 A 85 85 GLU CB C 85 32.098 30.826 1.272 1
1 1001 . 5 1 1 A 85 85 GLU N N 85 120.414 123.609 -3.195 1
1 1002 . 5 1 1 A 86 86 ASN H H 86 8.569 8.581 -0.012 1
1 1003 . 5 1 1 A 86 86 ASN HA H 86 4.225 5.048 -0.823 1
1 1008 . 5 1 1 A 86 86 ASN C C 86 175.147 174.931 0.216 1
1 1009 . 5 1 1 A 86 86 ASN CA C 86 54.068 53.118 0.950 1
1 1010 . 5 1 1 A 86 86 ASN CB C 86 38.185 39.096 -0.911 1
1 1011 . 5 1 1 A 86 86 ASN N N 86 114.602 118.503 -3.901 1
1 1013 . 5 1 1 A 87 87 LEU H H 87 8.483 8.904 -0.421 1
1 1014 . 5 1 1 A 87 87 LEU HA H 87 5.186 5.594 -0.408 1
1 1024 . 5 1 1 A 87 87 LEU C C 87 178.480 175.612 2.868 1
1 1025 . 5 1 1 A 87 87 LEU CA C 87 55.128 53.055 2.073 1
1 1026 . 5 1 1 A 87 87 LEU CB C 87 44.559 46.180 -1.621 1
1 1030 . 5 1 1 A 87 87 LEU N N 87 121.334 123.634 -2.300 1
1 1031 . 5 1 1 A 88 88 PHE H H 88 9.512 8.054 1.458 1
1 1032 . 5 1 1 A 88 88 PHE HA H 88 5.156 5.098 0.058 1
1 1040 . 5 1 1 A 88 88 PHE C C 88 170.288 172.109 -1.821 1
1 1041 . 5 1 1 A 88 88 PHE CA C 88 56.787 56.398 0.389 1
1 1042 . 5 1 1 A 88 88 PHE CB C 88 41.763 41.584 0.179 1
1 1048 . 5 1 1 A 88 88 PHE N N 88 119.324 115.780 3.544 1
1 1049 . 5 1 1 A 89 89 GLU H H 89 9.028 8.951 0.077 1
1 1050 . 5 1 1 A 89 89 GLU HA H 89 5.293 4.879 0.414 1
1 1055 . 5 1 1 A 89 89 GLU C C 89 175.245 175.137 0.108 1
1 1056 . 5 1 1 A 89 89 GLU CA C 89 53.433 55.410 -1.977 1
1 1057 . 5 1 1 A 89 89 GLU CB C 89 34.566 31.640 2.926 1
1 1059 . 5 1 1 A 89 89 GLU N N 89 121.829 120.685 1.144 1
1 1060 . 5 1 1 A 90 90 ILE H H 90 8.655 8.720 -0.065 1
1 1061 . 5 1 1 A 90 90 ILE HA H 90 4.793 4.772 0.021 1
1 1071 . 5 1 1 A 90 90 ILE C C 90 174.808 175.234 -0.426 1
1 1072 . 5 1 1 A 90 90 ILE CA C 90 59.857 60.271 -0.414 1
1 1073 . 5 1 1 A 90 90 ILE CB C 90 41.886 39.694 2.192 1
1 1077 . 5 1 1 A 90 90 ILE N N 90 123.446 126.749 -3.303 1
1 1078 . 5 1 1 A 91 91 ILE H H 91 9.199 8.575 0.624 1
1 1079 . 5 1 1 A 91 91 ILE HA H 91 4.724 4.567 0.157 1
1 1089 . 5 1 1 A 91 91 ILE C C 91 177.898 176.245 1.653 1
1 1090 . 5 1 1 A 91 91 ILE CA C 91 60.211 61.401 -1.190 1
1 1091 . 5 1 1 A 91 91 ILE CB C 91 39.043 37.474 1.569 1
1 1095 . 5 1 1 A 91 91 ILE N N 91 126.827 128.826 -1.999 1
1 1096 . 5 1 1 A 92 92 THR H H 92 9.086 8.197 0.889 1
1 1097 . 5 1 1 A 92 92 THR HA H 92 4.314 4.800 -0.486 1
1 1102 . 5 1 1 A 92 92 THR C C 92 176.857 175.997 0.860 1
1 1103 . 5 1 1 A 92 92 THR CA C 92 61.693 59.983 1.710 1
1 1104 . 5 1 1 A 92 92 THR CB C 92 70.920 72.212 -1.292 1
1 1106 . 5 1 1 A 92 92 THR N N 92 117.131 116.834 0.297 1
1 1107 . 5 1 1 A 93 93 ALA H H 93 9.192 8.949 0.243 1
1 1108 . 5 1 1 A 93 93 ALA HA H 93 4.101 4.108 -0.007 1
1 1112 . 5 1 1 A 93 93 ALA C C 93 178.008 177.956 0.052 1
1 1113 . 5 1 1 A 93 93 ALA CA C 93 54.634 54.383 0.251 1
1 1114 . 5 1 1 A 93 93 ALA CB C 93 18.198 18.390 -0.192 1
1 1115 . 5 1 1 A 93 93 ALA N N 93 123.540 124.120 -0.580 1
1 1116 . 5 1 1 A 94 94 ASP H H 94 7.979 7.824 0.155 1
1 1117 . 5 1 1 A 94 94 ASP HA H 94 4.724 4.758 -0.034 1
1 1120 . 5 1 1 A 94 94 ASP C C 94 174.324 175.758 -1.434 1
1 1121 . 5 1 1 A 94 94 ASP CA C 94 53.098 53.780 -0.682 1
1 1122 . 5 1 1 A 94 94 ASP CB C 94 39.336 40.936 -1.600 1
1 1123 . 5 1 1 A 94 94 ASP N N 94 113.209 117.457 -4.248 1
1 1124 . 5 1 1 A 95 95 GLU H H 95 8.152 8.558 -0.406 1
1 1125 . 5 1 1 A 95 95 GLU HA H 95 3.430 3.788 -0.358 1
1 1130 . 5 1 1 A 95 95 GLU C C 95 174.578 175.434 -0.856 1
1 1131 . 5 1 1 A 95 95 GLU CA C 95 57.687 58.138 -0.451 1
1 1132 . 5 1 1 A 95 95 GLU CB C 95 26.300 27.622 -1.322 1
1 1134 . 5 1 1 A 95 95 GLU N N 95 114.010 116.885 -2.875 1
1 1135 . 5 1 1 A 96 96 VAL H H 96 7.595 7.239 0.356 1
1 1136 . 5 1 1 A 96 96 VAL HA H 96 4.063 3.889 0.174 1
1 1144 . 5 1 1 A 96 96 VAL C C 96 175.293 175.146 0.147 1
1 1145 . 5 1 1 A 96 96 VAL CA C 96 62.751 63.091 -0.340 1
1 1146 . 5 1 1 A 96 96 VAL CB C 96 31.440 31.458 -0.018 1
1 1149 . 5 1 1 A 96 96 VAL N N 96 120.925 120.581 0.344 1
1 1150 . 5 1 1 A 97 97 HIS H H 97 8.603 9.068 -0.465 1
1 1151 . 5 1 1 A 97 97 HIS HA H 97 5.234 5.105 0.129 1
1 1156 . 5 1 1 A 97 97 HIS C C 97 174.348 173.633 0.715 1
1 1157 . 5 1 1 A 97 97 HIS CA C 97 54.404 54.317 0.087 1
1 1158 . 5 1 1 A 97 97 HIS CB C 97 30.536 32.249 -1.713 1
1 1161 . 5 1 1 A 97 97 HIS N N 97 124.160 126.791 -2.631 1
1 1162 . 5 1 1 A 98 98 TYR H H 98 9.267 8.769 0.498 1
1 1163 . 5 1 1 A 98 98 TYR HA H 98 4.532 4.807 -0.275 1
1 1170 . 5 1 1 A 98 98 TYR C C 98 173.621 174.410 -0.789 1
1 1171 . 5 1 1 A 98 98 TYR CA C 98 57.122 56.238 0.884 1
1 1172 . 5 1 1 A 98 98 TYR CB C 98 41.228 41.907 -0.679 1
1 1177 . 5 1 1 A 98 98 TYR N N 98 121.543 119.858 1.685 1
1 1178 . 5 1 1 A 99 99 PHE H H 99 8.861 9.007 -0.146 1
1 1179 . 5 1 1 A 99 99 PHE HA H 99 4.983 5.237 -0.254 1
1 1186 . 5 1 1 A 99 99 PHE C C 99 173.754 174.696 -0.942 1
1 1187 . 5 1 1 A 99 99 PHE CA C 99 57.705 56.988 0.717 1
1 1188 . 5 1 1 A 99 99 PHE CB C 99 41.516 39.629 1.887 1
1 1193 . 5 1 1 A 99 99 PHE N N 99 121.699 122.908 -1.209 1
1 1194 . 5 1 1 A 100 100 LEU H H 100 8.529 8.199 0.330 1
1 1195 . 5 1 1 A 100 100 LEU HA H 100 5.345 5.339 0.006 1
1 1205 . 5 1 1 A 100 100 LEU C C 100 174.942 174.768 0.174 1
1 1206 . 5 1 1 A 100 100 LEU CA C 100 52.781 52.721 0.060 1
1 1207 . 5 1 1 A 100 100 LEU CB C 100 44.518 43.482 1.036 1
1 1211 . 5 1 1 A 100 100 LEU N N 100 123.519 124.688 -1.169 1
1 1212 . 5 1 1 A 101 101 GLN H H 101 8.717 8.565 0.152 1
1 1213 . 5 1 1 A 101 101 GLN HA H 101 4.886 5.198 -0.312 1
1 1220 . 5 1 1 A 101 101 GLN C C 101 175.390 175.238 0.152 1
1 1221 . 5 1 1 A 101 101 GLN CA C 101 54.934 54.268 0.666 1
1 1222 . 5 1 1 A 101 101 GLN CB C 101 32.222 30.420 1.802 1
1 1224 . 5 1 1 A 101 101 GLN N N 101 117.786 124.627 -6.841 1
1 1226 . 5 1 1 A 102 102 ALA H H 102 8.256 9.267 -1.011 1
1 1227 . 5 1 1 A 102 102 ALA HA H 102 4.862 4.885 -0.023 1
1 1231 . 5 1 1 A 102 102 ALA C C 102 176.008 177.783 -1.775 1
1 1232 . 5 1 1 A 102 102 ALA CA C 102 50.098 50.468 -0.370 1
1 1233 . 5 1 1 A 102 102 ALA CB C 102 21.606 21.875 -0.269 1
1 1234 . 5 1 1 A 102 102 ALA N N 102 128.068 128.889 -0.821 1
1 1235 . 5 1 1 A 103 103 ALA H H 103 9.255 8.772 0.483 1
1 1236 . 5 1 1 A 103 103 ALA HA H 103 4.247 4.267 -0.020 1
1 1240 . 5 1 1 A 103 103 ALA C C 103 178.153 177.783 0.370 1
1 1241 . 5 1 1 A 103 103 ALA CA C 103 54.369 55.211 -0.842 1
1 1242 . 5 1 1 A 103 103 ALA CB C 103 20.377 19.093 1.284 1
1 1243 . 5 1 1 A 103 103 ALA N N 103 120.410 122.334 -1.924 1
1 1244 . 5 1 1 A 104 104 THR H H 104 7.149 7.818 -0.669 1
1 1245 . 5 1 1 A 104 104 THR HA H 104 4.846 4.684 0.162 1
1 1250 . 5 1 1 A 104 104 THR C C 104 173.354 173.960 -0.606 1
1 1251 . 5 1 1 A 104 104 THR CA C 104 57.810 59.199 -1.389 1
1 1252 . 5 1 1 A 104 104 THR CB C 104 71.496 70.155 1.341 1
1 1254 . 5 1 1 A 104 104 THR N N 104 103.106 109.089 -5.983 1
1 1255 . 5 1 1 A 105 105 PRO HA H 105 4.225 4.614 -0.389 1
1 1262 . 5 1 1 A 105 105 PRO C C 105 179.704 178.085 1.619 1
1 1263 . 5 1 1 A 105 105 PRO CA C 105 65.046 64.213 0.833 1
1 1264 . 5 1 1 A 105 105 PRO CB C 105 31.775 31.829 -0.054 1
1 1267 . 5 1 1 A 106 106 LYS H H 106 7.764 7.972 -0.208 1
1 1268 . 5 1 1 A 106 106 LYS HA H 106 4.036 4.160 -0.124 1
1 1277 . 5 1 1 A 106 106 LYS C C 106 177.959 178.536 -0.577 1
1 1278 . 5 1 1 A 106 106 LYS CA C 106 59.452 59.284 0.168 1
1 1279 . 5 1 1 A 106 106 LYS CB C 106 32.797 32.508 0.289 1
1 1283 . 5 1 1 A 106 106 LYS N N 106 119.261 118.364 0.897 1
1 1284 . 5 1 1 A 107 107 GLU H H 107 8.005 7.772 0.233 1
1 1285 . 5 1 1 A 107 107 GLU HA H 107 4.171 4.026 0.145 1
1 1290 . 5 1 1 A 107 107 GLU C C 107 178.529 178.844 -0.315 1
1 1291 . 5 1 1 A 107 107 GLU CA C 107 59.310 59.488 -0.178 1
1 1292 . 5 1 1 A 107 107 GLU CB C 107 31.111 29.241 1.870 1
1 1294 . 5 1 1 A 107 107 GLU N N 107 119.293 119.039 0.254 1
1 1295 . 5 1 1 A 108 108 ARG H H 108 7.810 7.510 0.300 1
1 1296 . 5 1 1 A 108 108 ARG HA H 108 3.603 4.321 -0.718 1
1 1303 . 5 1 1 A 108 108 ARG C C 108 176.287 178.900 -2.613 1
1 1304 . 5 1 1 A 108 108 ARG CA C 108 60.598 59.109 1.489 1
1 1305 . 5 1 1 A 108 108 ARG CB C 108 29.548 30.163 -0.615 1
1 1308 . 5 1 1 A 108 108 ARG N N 108 118.989 119.428 -0.439 1
1 1309 . 5 1 1 A 109 109 THR H H 109 8.195 8.156 0.039 1
1 1310 . 5 1 1 A 109 109 THR HA H 109 3.645 3.810 -0.165 1
1 1315 . 5 1 1 A 109 109 THR C C 109 176.227 176.528 -0.301 1
1 1316 . 5 1 1 A 109 109 THR CA C 109 67.022 67.356 -0.334 1
1 1317 . 5 1 1 A 109 109 THR CB C 109 68.576 68.461 0.115 1
1 1319 . 5 1 1 A 109 109 THR N N 109 115.975 116.279 -0.304 1
1 1320 . 5 1 1 A 110 110 GLU H H 110 8.274 8.474 -0.200 1
1 1321 . 5 1 1 A 110 110 GLU HA H 110 3.794 3.885 -0.091 1
1 1326 . 5 1 1 A 110 110 GLU C C 110 180.516 179.323 1.193 1
1 1327 . 5 1 1 A 110 110 GLU CA C 110 59.534 59.572 -0.038 1
1 1328 . 5 1 1 A 110 110 GLU CB C 110 29.507 29.307 0.200 1
1 1330 . 5 1 1 A 110 110 GLU N N 110 119.565 118.870 0.695 1
1 1331 . 5 1 1 A 111 111 TRP H H 111 8.316 8.763 -0.447 1
1 1332 . 5 1 1 A 111 111 TRP HA H 111 3.912 4.286 -0.374 1
1 1341 . 5 1 1 A 111 111 TRP C C 111 178.020 178.447 -0.427 1
1 1342 . 5 1 1 A 111 111 TRP CA C 111 62.464 60.123 2.341 1
1 1343 . 5 1 1 A 111 111 TRP CB C 111 29.548 29.295 0.253 1
1 1349 . 5 1 1 A 111 111 TRP N N 111 120.868 120.506 0.362 1
1 1351 . 5 1 1 A 112 112 ILE H H 112 8.271 7.745 0.526 1
1 1352 . 5 1 1 A 112 112 ILE HA H 112 3.254 3.557 -0.303 1
1 1362 . 5 1 1 A 112 112 ILE C C 112 177.669 177.980 -0.311 1
1 1363 . 5 1 1 A 112 112 ILE CA C 112 67.040 64.894 2.146 1
1 1364 . 5 1 1 A 112 112 ILE CB C 112 37.856 37.779 0.077 1
1 1368 . 5 1 1 A 112 112 ILE N N 112 118.862 119.829 -0.967 1
1 1369 . 5 1 1 A 113 113 LYS H H 113 8.042 8.185 -0.143 1
1 1370 . 5 1 1 A 113 113 LYS HA H 113 3.991 4.063 -0.072 1
1 1379 . 5 1 1 A 113 113 LYS C C 113 178.977 179.068 -0.091 1
1 1380 . 5 1 1 A 113 113 LYS CA C 113 59.328 58.879 0.449 1
1 1381 . 5 1 1 A 113 113 LYS CB C 113 32.345 32.178 0.167 1
1 1385 . 5 1 1 A 113 113 LYS N N 113 117.182 119.730 -2.548 1
1 1386 . 5 1 1 A 114 114 ALA H H 114 7.686 8.606 -0.920 1
1 1387 . 5 1 1 A 114 114 ALA HA H 114 4.058 3.956 0.102 1
1 1391 . 5 1 1 A 114 114 ALA C C 114 179.849 179.591 0.258 1
1 1392 . 5 1 1 A 114 114 ALA CA C 114 55.146 55.080 0.066 1
1 1393 . 5 1 1 A 114 114 ALA CB C 114 18.362 18.707 -0.345 1
1 1394 . 5 1 1 A 114 114 ALA N N 114 120.689 122.368 -1.679 1
1 1395 . 5 1 1 A 115 115 ILE H H 115 8.594 9.290 -0.696 1
1 1396 . 5 1 1 A 115 115 ILE HA H 115 3.534 3.692 -0.158 1
1 1406 . 5 1 1 A 115 115 ILE C C 115 178.432 178.391 0.041 1
1 1407 . 5 1 1 A 115 115 ILE CA C 115 66.016 64.794 1.222 1
1 1408 . 5 1 1 A 115 115 ILE CB C 115 38.390 37.352 1.038 1
1 1412 . 5 1 1 A 115 115 ILE N N 115 118.898 117.862 1.036 1
1 1413 . 5 1 1 A 116 116 GLN H H 116 8.732 8.295 0.437 1
1 1414 . 5 1 1 A 116 116 GLN HA H 116 3.851 4.369 -0.518 1
1 1421 . 5 1 1 A 116 116 GLN C C 116 179.655 178.293 1.362 1
1 1422 . 5 1 1 A 116 116 GLN CA C 116 59.575 58.863 0.712 1
1 1423 . 5 1 1 A 116 116 GLN CB C 116 28.222 28.512 -0.290 1
1 1425 . 5 1 1 A 116 116 GLN N N 116 119.877 119.048 0.829 1
1 1427 . 5 1 1 A 117 117 MET H H 117 8.279 8.164 0.115 1
1 1428 . 5 1 1 A 117 117 MET HA H 117 4.155 4.135 0.020 1
1 1436 . 5 1 1 A 117 117 MET C C 117 179.123 178.320 0.803 1
1 1437 . 5 1 1 A 117 117 MET CA C 117 58.658 58.473 0.185 1
1 1438 . 5 1 1 A 117 117 MET CB C 117 31.934 32.853 -0.919 1
1 1441 . 5 1 1 A 117 117 MET N N 117 118.855 118.978 -0.123 1
1 1442 . 5 1 1 A 118 118 ALA H H 118 8.266 7.538 0.728 1
1 1443 . 5 1 1 A 118 118 ALA HA H 118 4.240 4.141 0.099 1
1 1447 . 5 1 1 A 118 118 ALA C C 118 178.820 179.380 -0.560 1
1 1448 . 5 1 1 A 118 118 ALA CA C 118 54.604 54.961 -0.357 1
1 1449 . 5 1 1 A 118 118 ALA CB C 118 18.627 18.865 -0.238 1
1 1450 . 5 1 1 A 118 118 ALA N N 118 121.702 121.954 -0.252 1
1 1451 . 5 1 1 A 119 119 SER H H 119 8.073 8.714 -0.641 1
1 1452 . 5 1 1 A 119 119 SER HA H 119 4.027 4.264 -0.237 1
1 1455 . 5 1 1 A 119 119 SER C C 119 174.663 177.010 -2.347 1
1 1456 . 5 1 1 A 119 119 SER CA C 119 60.122 61.657 -1.535 1
1 1457 . 5 1 1 A 119 119 SER CB C 119 64.299 62.693 1.606 1
1 1458 . 5 1 1 A 119 119 SER N N 119 110.080 113.034 -2.954 1
1 1459 . 5 1 1 A 120 120 ARG H H 120 7.345 8.551 -1.206 1
1 1460 . 5 1 1 A 120 120 ARG HA H 120 4.383 4.096 0.287 1
1 1467 . 5 1 1 A 120 120 ARG C C 120 176.372 176.625 -0.253 1
1 1468 . 5 1 1 A 120 120 ARG CA C 120 56.681 57.938 -1.257 1
1 1469 . 5 1 1 A 120 120 ARG CB C 120 30.248 30.159 0.089 1
1 1472 . 5 1 1 A 120 120 ARG N N 120 120.244 121.160 -0.916 1
1 1473 . 5 1 1 A 121 121 THR H H 121 8.070 9.021 -0.951 1
1 1474 . 5 1 1 A 121 121 THR HA H 121 4.365 4.269 0.096 1
1 1479 . 5 1 1 A 121 121 THR C C 121 175.281 174.343 0.938 1
1 1480 . 5 1 1 A 121 121 THR CA C 121 62.557 63.151 -0.594 1
1 1481 . 5 1 1 A 121 121 THR CB C 121 70.298 68.935 1.363 1
1 1483 . 5 1 1 A 121 121 THR N N 121 114.024 114.143 -0.119 1
1 1484 . 5 1 1 A 122 122 GLY H H 122 8.520 8.685 -0.165 1
1 1485 . 5 1 1 A 122 122 GLY HA2 H 122 4.005 4.114 -0.109 1
1 1486 . 5 1 1 A 122 122 GLY HA3 H 122 4.005 4.119 -0.114 1
1 1487 . 5 1 1 A 122 122 GLY C C 122 174.118 173.407 0.711 1
1 1488 . 5 1 1 A 122 122 GLY CA C 122 45.351 45.613 -0.262 1
1 1489 . 5 1 1 A 122 122 GLY N N 122 111.123 110.514 0.609 1
1 1490 . 5 1 1 A 123 123 LYS H H 123 8.309 7.292 1.017 1
1 1491 . 5 1 1 A 123 123 LYS HA H 123 4.364 4.807 -0.443 1
1 1500 . 5 1 1 A 123 123 LYS C C 123 176.772 174.936 1.836 1
1 1501 . 5 1 1 A 123 123 LYS CA C 123 56.310 55.412 0.898 1
1 1502 . 5 1 1 A 123 123 LYS CB C 123 33.167 33.605 -0.438 1
1 1506 . 5 1 1 A 123 123 LYS N N 123 121.100 122.347 -1.247 1
1 1507 . 5 1 1 A 124 124 SER H H 124 8.453 8.623 -0.170 1
1 1508 . 5 1 1 A 124 124 SER HA H 124 4.489 4.849 -0.360 1
1 1509 . 5 1 1 A 124 124 SER C C 124 174.518 174.390 0.128 1
1 1510 . 5 1 1 A 124 124 SER CA C 124 58.357 57.279 1.078 1
1 1511 . 5 1 1 A 124 124 SER CB C 124 64.052 65.818 -1.766 1
1 1512 . 5 1 1 A 124 124 SER N N 124 117.316 116.151 1.165 1
1 1513 . 5 1 1 A 125 125 GLY H H 125 8.278 8.577 -0.299 1
1 1514 . 5 1 1 A 125 125 GLY HA2 H 125 4.154 4.126 0.028 1
1 1515 . 5 1 1 A 125 125 GLY HA3 H 125 4.102 4.127 -0.025 1
1 1516 . 5 1 1 A 125 125 GLY C C 125 171.827 174.113 -2.286 1
1 1517 . 5 1 1 A 125 125 GLY CA C 125 44.680 45.003 -0.323 1
1 1518 . 5 1 1 A 125 125 GLY N N 125 110.670 110.679 -0.009 1
1 1519 . 5 1 1 A 126 126 PRO HA H 126 4.461 4.432 0.029 1
1 1526 . 5 1 1 A 126 126 PRO C C 126 177.426 176.454 0.972 1
1 1527 . 5 1 1 A 126 126 PRO CA C 126 63.281 65.101 -1.820 1
1 1528 . 5 1 1 A 126 126 PRO CB C 126 32.263 31.843 0.420 1
1 1531 . 5 1 1 A 127 127 SER H H 127 8.556 8.036 0.520 1
1 1532 . 5 1 1 A 127 127 SER HA H 127 4.489 4.408 0.081 1
1 1535 . 5 1 1 A 127 127 SER C C 127 174.651 174.246 0.405 1
1 1536 . 5 1 1 A 127 127 SER CA C 127 58.410 59.795 -1.385 1
1 1537 . 5 1 1 A 127 127 SER CB C 127 63.682 63.026 0.656 1
1 1538 . 5 1 1 A 127 127 SER N N 127 116.423 113.580 2.843 1
1 1539 . 5 1 1 A 128 128 SER H H 128 8.313 8.249 0.064 1
1 1540 . 5 1 1 A 128 128 SER HA H 128 4.489 5.243 -0.754 1
1 1543 . 5 1 1 A 128 128 SER C C 128 173.936 173.098 0.838 1
1 1544 . 5 1 1 A 128 128 SER CA C 128 58.393 57.181 1.212 1
1 1545 . 5 1 1 A 128 128 SER CB C 128 64.052 65.867 -1.815 1
1 1546 . 5 1 1 A 128 128 SER N N 128 117.750 120.255 -2.505 1
1 1 . 6 1 1 A 6 6 SER HA H 6 4.475 4.673 -0.198 1
1 4 . 6 1 1 A 6 6 SER C C 6 174.978 175.975 -0.997 1
1 5 . 6 1 1 A 6 6 SER CA C 6 58.657 59.468 -0.811 1
1 6 . 6 1 1 A 6 6 SER CB C 6 63.682 64.972 -1.290 1
1 7 . 6 1 1 A 7 7 GLY H H 7 8.385 8.021 0.364 1
1 8 . 6 1 1 A 7 7 GLY HA2 H 7 3.947 3.778 0.169 1
1 9 . 6 1 1 A 7 7 GLY HA3 H 7 3.947 3.780 0.167 1
1 10 . 6 1 1 A 7 7 GLY C C 7 173.900 173.986 -0.086 1
1 11 . 6 1 1 A 7 7 GLY CA C 7 45.280 47.037 -1.757 1
1 12 . 6 1 1 A 7 7 GLY N N 7 110.753 109.653 1.100 1
1 13 . 6 1 1 A 8 8 VAL H H 8 7.896 7.750 0.146 1
1 14 . 6 1 1 A 8 8 VAL HA H 8 4.046 4.776 -0.730 1
1 22 . 6 1 1 A 8 8 VAL C C 8 175.948 174.470 1.478 1
1 23 . 6 1 1 A 8 8 VAL CA C 8 62.399 59.454 2.945 1
1 24 . 6 1 1 A 8 8 VAL CB C 8 32.904 35.747 -2.843 1
1 27 . 6 1 1 A 8 8 VAL N N 8 119.771 118.264 1.507 1
1 28 . 6 1 1 A 9 9 ILE H H 9 8.253 8.499 -0.246 1
1 29 . 6 1 1 A 9 9 ILE HA H 9 4.103 4.095 0.008 1
1 39 . 6 1 1 A 9 9 ILE C C 9 175.984 176.159 -0.175 1
1 40 . 6 1 1 A 9 9 ILE CA C 9 60.657 62.198 -1.541 1
1 41 . 6 1 1 A 9 9 ILE CB C 9 38.349 38.303 0.046 1
1 45 . 6 1 1 A 9 9 ILE N N 9 125.791 125.476 0.315 1
1 46 . 6 1 1 A 10 10 LEU H H 10 8.374 8.233 0.141 1
1 47 . 6 1 1 A 10 10 LEU HA H 10 4.379 4.818 -0.439 1
1 57 . 6 1 1 A 10 10 LEU C C 10 177.171 176.623 0.548 1
1 58 . 6 1 1 A 10 10 LEU CA C 10 54.598 54.492 0.106 1
1 59 . 6 1 1 A 10 10 LEU CB C 10 42.873 43.194 -0.321 1
1 63 . 6 1 1 A 10 10 LEU N N 10 127.929 126.764 1.165 1
1 64 . 6 1 1 A 11 11 LYS H H 11 8.414 8.746 -0.332 1
1 65 . 6 1 1 A 11 11 LYS HA H 11 4.214 4.217 -0.003 1
1 74 . 6 1 1 A 11 11 LYS C C 11 177.244 177.811 -0.567 1
1 75 . 6 1 1 A 11 11 LYS CA C 11 57.051 56.055 0.996 1
1 76 . 6 1 1 A 11 11 LYS CB C 11 33.332 32.673 0.659 1
1 80 . 6 1 1 A 11 11 LYS N N 11 123.211 126.842 -3.631 1
1 81 . 6 1 1 A 12 12 GLU H H 12 8.629 8.783 -0.154 1
1 82 . 6 1 1 A 12 12 GLU HA H 12 3.745 4.162 -0.417 1
1 87 . 6 1 1 A 12 12 GLU C C 12 177.366 177.213 0.153 1
1 88 . 6 1 1 A 12 12 GLU CA C 12 59.663 58.262 1.401 1
1 89 . 6 1 1 A 12 12 GLU CB C 12 29.672 29.531 0.141 1
1 91 . 6 1 1 A 12 12 GLU N N 12 122.998 121.423 1.575 1
1 92 . 6 1 1 A 13 13 GLU H H 13 8.043 7.897 0.146 1
1 93 . 6 1 1 A 13 13 GLU HA H 13 3.333 4.416 -1.083 1
1 98 . 6 1 1 A 13 13 GLU C C 13 175.451 177.079 -1.628 1
1 99 . 6 1 1 A 13 13 GLU CA C 13 57.634 57.053 0.581 1
1 100 . 6 1 1 A 13 13 GLU CB C 13 28.567 29.857 -1.290 1
1 102 . 6 1 1 A 13 13 GLU N N 13 113.498 117.169 -3.671 1
1 103 . 6 1 1 A 14 14 PHE H H 14 7.483 7.682 -0.199 1
1 104 . 6 1 1 A 14 14 PHE HA H 14 4.650 4.539 0.111 1
1 112 . 6 1 1 A 14 14 PHE C C 14 175.657 177.423 -1.766 1
1 113 . 6 1 1 A 14 14 PHE CA C 14 56.187 59.195 -3.008 1
1 114 . 6 1 1 A 14 14 PHE CB C 14 39.665 40.319 -0.654 1
1 120 . 6 1 1 A 14 14 PHE N N 14 115.879 117.905 -2.026 1
1 121 . 6 1 1 A 15 15 ARG H H 15 7.757 8.117 -0.360 1
1 122 . 6 1 1 A 15 15 ARG HA H 15 4.154 4.040 0.114 1
1 129 . 6 1 1 A 15 15 ARG C C 15 177.353 178.106 -0.753 1
1 130 . 6 1 1 A 15 15 ARG CA C 15 58.092 59.062 -0.970 1
1 131 . 6 1 1 A 15 15 ARG CB C 15 31.193 29.986 1.207 1
1 134 . 6 1 1 A 15 15 ARG N N 15 118.945 119.450 -0.505 1
1 135 . 6 1 1 A 16 16 GLY H H 16 8.812 7.991 0.821 1
1 136 . 6 1 1 A 16 16 GLY HA2 H 16 4.194 4.134 0.060 1
1 137 . 6 1 1 A 16 16 GLY HA3 H 16 3.824 4.165 -0.341 1
1 138 . 6 1 1 A 16 16 GLY C C 16 173.427 172.778 0.649 1
1 139 . 6 1 1 A 16 16 GLY CA C 16 45.157 44.523 0.634 1
1 140 . 6 1 1 A 16 16 GLY N N 16 109.133 109.101 0.032 1
1 141 . 6 1 1 A 17 17 VAL H H 17 8.308 8.289 0.019 1
1 142 . 6 1 1 A 17 17 VAL HA H 17 4.060 4.836 -0.776 1
1 150 . 6 1 1 A 17 17 VAL C C 17 176.469 174.065 2.404 1
1 151 . 6 1 1 A 17 17 VAL CA C 17 62.098 59.249 2.849 1
1 152 . 6 1 1 A 17 17 VAL CB C 17 33.414 35.616 -2.202 1
1 155 . 6 1 1 A 17 17 VAL N N 17 120.815 118.507 2.308 1
1 156 . 6 1 1 A 18 18 ILE H H 18 8.547 8.780 -0.233 1
1 157 . 6 1 1 A 18 18 ILE HA H 18 4.186 4.934 -0.748 1
1 167 . 6 1 1 A 18 18 ILE C C 18 177.208 176.476 0.732 1
1 168 . 6 1 1 A 18 18 ILE CA C 18 63.175 59.809 3.366 1
1 169 . 6 1 1 A 18 18 ILE CB C 18 38.596 40.130 -1.534 1
1 173 . 6 1 1 A 18 18 ILE N N 18 125.006 123.466 1.540 1
1 174 . 6 1 1 A 19 19 ILE H H 19 9.127 8.543 0.584 1
1 175 . 6 1 1 A 19 19 ILE HA H 19 4.461 4.480 -0.019 1
1 185 . 6 1 1 A 19 19 ILE C C 19 176.081 175.767 0.314 1
1 186 . 6 1 1 A 19 19 ILE CA C 19 60.298 61.318 -1.020 1
1 187 . 6 1 1 A 19 19 ILE CB C 19 39.665 39.943 -0.278 1
1 191 . 6 1 1 A 19 19 ILE N N 19 124.358 120.334 4.024 1
1 192 . 6 1 1 A 20 20 LYS H H 20 7.620 7.743 -0.123 1
1 193 . 6 1 1 A 20 20 LYS HA H 20 4.325 4.789 -0.464 1
1 202 . 6 1 1 A 20 20 LYS C C 20 172.760 174.214 -1.454 1
1 203 . 6 1 1 A 20 20 LYS CA C 20 57.298 55.595 1.703 1
1 204 . 6 1 1 A 20 20 LYS CB C 20 36.458 35.808 0.650 1
1 208 . 6 1 1 A 20 20 LYS N N 20 121.749 121.806 -0.057 1
1 209 . 6 1 1 A 21 21 GLN H H 21 8.572 8.616 -0.044 1
1 210 . 6 1 1 A 21 21 GLN HA H 21 5.927 5.489 0.438 1
1 217 . 6 1 1 A 21 21 GLN C C 21 175.124 174.713 0.411 1
1 218 . 6 1 1 A 21 21 GLN CA C 21 54.227 54.697 -0.470 1
1 219 . 6 1 1 A 21 21 GLN CB C 21 33.369 33.196 0.173 1
1 221 . 6 1 1 A 21 21 GLN N N 21 121.653 124.185 -2.532 1
1 223 . 6 1 1 A 22 22 GLY H H 22 9.178 8.182 0.996 1
1 224 . 6 1 1 A 22 22 GLY HA2 H 22 4.904 4.335 0.569 1
1 225 . 6 1 1 A 22 22 GLY HA3 H 22 4.447 4.431 0.016 1
1 226 . 6 1 1 A 22 22 GLY C C 22 172.300 172.110 0.190 1
1 227 . 6 1 1 A 22 22 GLY CA C 22 45.650 45.582 0.068 1
1 228 . 6 1 1 A 22 22 GLY N N 22 108.544 108.321 0.223 1
1 229 . 6 1 1 A 23 23 CYS H H 23 9.262 8.287 0.975 1
1 230 . 6 1 1 A 23 23 CYS HA H 23 5.904 5.620 0.284 1
1 233 . 6 1 1 A 23 23 CYS C C 23 175.293 173.845 1.448 1
1 234 . 6 1 1 A 23 23 CYS CA C 23 59.222 57.750 1.472 1
1 235 . 6 1 1 A 23 23 CYS CB C 23 29.260 29.924 -0.664 1
1 236 . 6 1 1 A 23 23 CYS N N 23 118.575 119.346 -0.771 1
1 237 . 6 1 1 A 24 24 LEU H H 24 9.131 10.181 -1.050 1
1 238 . 6 1 1 A 24 24 LEU HA H 24 4.627 5.113 -0.486 1
1 248 . 6 1 1 A 24 24 LEU C C 24 175.354 175.547 -0.193 1
1 249 . 6 1 1 A 24 24 LEU CA C 24 53.963 53.546 0.417 1
1 250 . 6 1 1 A 24 24 LEU CB C 24 47.315 46.456 0.859 1
1 254 . 6 1 1 A 24 24 LEU N N 24 122.880 123.044 -0.164 1
1 255 . 6 1 1 A 25 25 LEU H H 25 7.968 8.914 -0.946 1
1 256 . 6 1 1 A 25 25 LEU HA H 25 5.056 5.182 -0.126 1
1 266 . 6 1 1 A 25 25 LEU C C 25 175.766 175.115 0.651 1
1 267 . 6 1 1 A 25 25 LEU CA C 25 54.810 54.322 0.488 1
1 268 . 6 1 1 A 25 25 LEU CB C 25 44.065 42.444 1.621 1
1 272 . 6 1 1 A 25 25 LEU N N 25 119.755 121.746 -1.991 1
1 273 . 6 1 1 A 26 26 LYS H H 26 9.307 8.688 0.619 1
1 274 . 6 1 1 A 26 26 LYS HA H 26 5.166 4.718 0.448 1
1 283 . 6 1 1 A 26 26 LYS C C 26 175.778 175.493 0.285 1
1 284 . 6 1 1 A 26 26 LYS CA C 26 54.687 56.145 -1.458 1
1 285 . 6 1 1 A 26 26 LYS CB C 26 37.033 33.210 3.823 1
1 289 . 6 1 1 A 26 26 LYS N N 26 122.635 126.398 -3.763 1
1 290 . 6 1 1 A 27 27 GLN H H 27 8.228 8.652 -0.424 1
1 291 . 6 1 1 A 27 27 GLN HA H 27 3.839 4.526 -0.687 1
1 298 . 6 1 1 A 27 27 GLN C C 27 176.869 175.787 1.082 1
1 299 . 6 1 1 A 27 27 GLN CA C 27 55.922 54.153 1.769 1
1 300 . 6 1 1 A 27 27 GLN CB C 27 29.589 31.033 -1.444 1
1 302 . 6 1 1 A 27 27 GLN N N 27 132.145 126.522 5.623 1
1 304 . 6 1 1 A 28 28 GLY H H 28 8.434 8.464 -0.030 1
1 305 . 6 1 1 A 28 28 GLY HA2 H 28 4.144 3.911 0.233 1
1 306 . 6 1 1 A 28 28 GLY HA3 H 28 3.999 3.985 0.014 1
1 307 . 6 1 1 A 28 28 GLY CA C 28 45.457 46.672 -1.215 1
1 308 . 6 1 1 A 28 28 GLY N N 28 114.691 112.374 2.317 1
1 309 . 6 1 1 A 29 29 HIS HA H 29 4.352 4.799 -0.447 1
1 314 . 6 1 1 A 29 29 HIS CA C 29 58.505 56.922 1.583 1
1 315 . 6 1 1 A 29 29 HIS CB C 29 30.967 31.577 -0.610 1
1 318 . 6 1 1 A 30 30 ARG HA H 30 4.114 4.196 -0.082 1
1 325 . 6 1 1 A 30 30 ARG CA C 30 56.429 55.518 0.911 1
1 326 . 6 1 1 A 30 30 ARG CB C 30 29.591 31.631 -2.040 1
1 329 . 6 1 1 A 31 31 ARG HA H 31 3.774 3.888 -0.114 1
1 336 . 6 1 1 A 31 31 ARG C C 31 175.536 175.057 0.479 1
1 337 . 6 1 1 A 31 31 ARG CA C 31 55.922 56.912 -0.990 1
1 338 . 6 1 1 A 31 31 ARG CB C 31 29.302 28.763 0.539 1
1 341 . 6 1 1 A 32 32 LYS H H 32 8.011 7.852 0.159 1
1 342 . 6 1 1 A 32 32 LYS HA H 32 4.164 4.487 -0.323 1
1 351 . 6 1 1 A 32 32 LYS C C 32 175.741 175.563 0.178 1
1 352 . 6 1 1 A 32 32 LYS CA C 32 56.239 55.352 0.887 1
1 353 . 6 1 1 A 32 32 LYS CB C 32 32.016 32.779 -0.763 1
1 357 . 6 1 1 A 32 32 LYS N N 32 117.463 119.177 -1.714 1
1 358 . 6 1 1 A 33 33 ASN H H 33 7.870 8.466 -0.596 1
1 359 . 6 1 1 A 33 33 ASN HA H 33 4.807 4.729 0.078 1
1 364 . 6 1 1 A 33 33 ASN C C 33 173.681 174.746 -1.065 1
1 365 . 6 1 1 A 33 33 ASN CA C 33 52.551 54.751 -2.200 1
1 366 . 6 1 1 A 33 33 ASN CB C 33 39.830 37.517 2.313 1
1 367 . 6 1 1 A 33 33 ASN N N 33 117.522 116.355 1.167 1
1 369 . 6 1 1 A 34 34 TRP H H 34 8.704 8.644 0.060 1
1 370 . 6 1 1 A 34 34 TRP HA H 34 4.807 4.609 0.198 1
1 379 . 6 1 1 A 34 34 TRP C C 34 176.129 176.736 -0.607 1
1 380 . 6 1 1 A 34 34 TRP CA C 34 56.540 58.059 -1.519 1
1 381 . 6 1 1 A 34 34 TRP CB C 34 31.399 30.333 1.066 1
1 387 . 6 1 1 A 34 34 TRP N N 34 121.620 123.815 -2.195 1
1 389 . 6 1 1 A 35 35 LYS H H 35 8.457 9.012 -0.555 1
1 390 . 6 1 1 A 35 35 LYS HA H 35 4.876 4.844 0.032 1
1 399 . 6 1 1 A 35 35 LYS C C 35 176.081 176.052 0.029 1
1 400 . 6 1 1 A 35 35 LYS CA C 35 54.298 55.045 -0.747 1
1 401 . 6 1 1 A 35 35 LYS CB C 35 36.498 35.331 1.167 1
1 405 . 6 1 1 A 35 35 LYS N N 35 120.816 121.869 -1.053 1
1 406 . 6 1 1 A 36 36 VAL H H 36 8.974 8.797 0.177 1
1 407 . 6 1 1 A 36 36 VAL HA H 36 4.254 4.472 -0.218 1
1 415 . 6 1 1 A 36 36 VAL C C 36 176.808 175.758 1.050 1
1 416 . 6 1 1 A 36 36 VAL CA C 36 63.828 63.238 0.590 1
1 417 . 6 1 1 A 36 36 VAL CB C 36 31.687 32.240 -0.553 1
1 420 . 6 1 1 A 36 36 VAL N N 36 123.825 124.506 -0.681 1
1 421 . 6 1 1 A 37 37 ARG H H 37 9.327 9.489 -0.162 1
1 422 . 6 1 1 A 37 37 ARG HA H 37 4.930 4.952 -0.022 1
1 427 . 6 1 1 A 37 37 ARG C C 37 173.815 174.493 -0.678 1
1 428 . 6 1 1 A 37 37 ARG CA C 37 54.351 54.566 -0.215 1
1 429 . 6 1 1 A 37 37 ARG CB C 37 34.709 34.285 0.424 1
1 432 . 6 1 1 A 37 37 ARG N N 37 128.926 125.269 3.657 1
1 433 . 6 1 1 A 38 38 LYS H H 38 8.714 8.841 -0.127 1
1 434 . 6 1 1 A 38 38 LYS HA H 38 4.959 4.870 0.089 1
1 443 . 6 1 1 A 38 38 LYS C C 38 175.075 175.214 -0.139 1
1 444 . 6 1 1 A 38 38 LYS CA C 38 55.869 56.095 -0.226 1
1 445 . 6 1 1 A 38 38 LYS CB C 38 34.072 33.724 0.348 1
1 449 . 6 1 1 A 38 38 LYS N N 38 121.669 123.084 -1.415 1
1 450 . 6 1 1 A 39 39 PHE H H 39 9.751 9.862 -0.111 1
1 451 . 6 1 1 A 39 39 PHE HA H 39 5.591 5.174 0.417 1
1 459 . 6 1 1 A 39 39 PHE C C 39 175.414 174.762 0.652 1
1 460 . 6 1 1 A 39 39 PHE CA C 39 57.474 56.850 0.624 1
1 461 . 6 1 1 A 39 39 PHE CB C 39 42.667 41.360 1.307 1
1 467 . 6 1 1 A 39 39 PHE N N 39 127.216 124.528 2.688 1
1 468 . 6 1 1 A 40 40 ILE H H 40 9.246 10.460 -1.214 1
1 469 . 6 1 1 A 40 40 ILE HA H 40 4.864 5.222 -0.358 1
1 479 . 6 1 1 A 40 40 ILE C C 40 174.724 174.233 0.491 1
1 480 . 6 1 1 A 40 40 ILE CA C 40 62.134 60.061 2.073 1
1 481 . 6 1 1 A 40 40 ILE CB C 40 41.022 40.151 0.871 1
1 485 . 6 1 1 A 40 40 ILE N N 40 119.337 123.728 -4.391 1
1 486 . 6 1 1 A 41 41 LEU H H 41 9.549 9.324 0.225 1
1 487 . 6 1 1 A 41 41 LEU HA H 41 5.485 5.346 0.139 1
1 497 . 6 1 1 A 41 41 LEU C C 41 174.457 174.988 -0.531 1
1 498 . 6 1 1 A 41 41 LEU CA C 41 54.004 53.737 0.267 1
1 499 . 6 1 1 A 41 41 LEU CB C 41 45.299 45.484 -0.185 1
1 503 . 6 1 1 A 41 41 LEU N N 41 132.451 130.906 1.545 1
1 504 . 6 1 1 A 42 42 ARG H H 42 9.383 9.177 0.206 1
1 505 . 6 1 1 A 42 42 ARG HA H 42 5.492 5.376 0.116 1
1 513 . 6 1 1 A 42 42 ARG C C 42 174.893 174.984 -0.091 1
1 514 . 6 1 1 A 42 42 ARG CA C 42 54.421 54.371 0.050 1
1 515 . 6 1 1 A 42 42 ARG CB C 42 35.470 33.580 1.890 1
1 518 . 6 1 1 A 42 42 ARG N N 42 128.467 125.544 2.923 1
1 520 . 6 1 1 A 43 43 GLU H H 43 8.259 8.631 -0.372 1
1 521 . 6 1 1 A 43 43 GLU HA H 43 4.366 4.838 -0.472 1
1 526 . 6 1 1 A 43 43 GLU C C 43 174.893 175.883 -0.990 1
1 527 . 6 1 1 A 43 43 GLU CA C 43 54.898 55.534 -0.636 1
1 528 . 6 1 1 A 43 43 GLU CB C 43 33.102 31.293 1.809 1
1 530 . 6 1 1 A 43 43 GLU N N 43 115.434 123.237 -7.803 1
1 531 . 6 1 1 A 44 44 ASP H H 44 7.870 9.045 -1.175 1
1 532 . 6 1 1 A 44 44 ASP HA H 44 4.433 4.273 0.160 1
1 535 . 6 1 1 A 44 44 ASP C C 44 172.991 174.231 -1.240 1
1 536 . 6 1 1 A 44 44 ASP CA C 44 53.892 54.972 -1.080 1
1 537 . 6 1 1 A 44 44 ASP CB C 44 41.146 39.674 1.472 1
1 538 . 6 1 1 A 44 44 ASP N N 44 114.444 120.226 -5.782 1
1 539 . 6 1 1 A 45 45 PRO HA H 45 4.710 4.593 0.117 1
1 546 . 6 1 1 A 45 45 PRO C C 45 176.747 175.528 1.219 1
1 547 . 6 1 1 A 45 45 PRO CA C 45 63.246 62.649 0.597 1
1 548 . 6 1 1 A 45 45 PRO CB C 45 34.977 32.719 2.258 1
1 551 . 6 1 1 A 46 46 ALA H H 46 8.356 8.236 0.120 1
1 552 . 6 1 1 A 46 46 ALA HA H 46 5.049 4.998 0.051 1
1 556 . 6 1 1 A 46 46 ALA C C 46 175.499 176.159 -0.660 1
1 557 . 6 1 1 A 46 46 ALA CA C 46 51.545 50.834 0.711 1
1 558 . 6 1 1 A 46 46 ALA CB C 46 19.655 19.555 0.100 1
1 559 . 6 1 1 A 46 46 ALA N N 46 122.969 123.305 -0.336 1
1 560 . 6 1 1 A 47 47 TYR H H 47 8.047 9.467 -1.420 1
1 561 . 6 1 1 A 47 47 TYR HA H 47 5.097 4.944 0.153 1
1 568 . 6 1 1 A 47 47 TYR C C 47 173.730 174.406 -0.676 1
1 569 . 6 1 1 A 47 47 TYR CA C 47 57.563 56.589 0.974 1
1 570 . 6 1 1 A 47 47 TYR CB C 47 45.711 43.225 2.486 1
1 575 . 6 1 1 A 47 47 TYR N N 47 126.550 121.015 5.535 1
1 576 . 6 1 1 A 48 48 LEU H H 48 8.776 8.616 0.160 1
1 577 . 6 1 1 A 48 48 LEU HA H 48 5.578 5.542 0.036 1
1 587 . 6 1 1 A 48 48 LEU C C 48 175.039 174.644 0.395 1
1 588 . 6 1 1 A 48 48 LEU CA C 48 53.134 53.538 -0.404 1
1 589 . 6 1 1 A 48 48 LEU CB C 48 46.369 45.051 1.318 1
1 593 . 6 1 1 A 48 48 LEU N N 48 120.864 124.612 -3.748 1
1 594 . 6 1 1 A 49 49 HIS H H 49 8.974 9.399 -0.425 1
1 595 . 6 1 1 A 49 49 HIS HA H 49 5.181 4.989 0.192 1
1 600 . 6 1 1 A 49 49 HIS C C 49 174.712 173.915 0.797 1
1 601 . 6 1 1 A 49 49 HIS CA C 49 57.916 53.842 4.074 1
1 602 . 6 1 1 A 49 49 HIS CB C 49 35.347 31.843 3.504 1
1 605 . 6 1 1 A 49 49 HIS N N 49 124.417 126.357 -1.940 1
1 606 . 6 1 1 A 50 50 TYR H H 50 7.348 7.348 0.000 1
1 607 . 6 1 1 A 50 50 TYR HA H 50 5.909 5.828 0.081 1
1 614 . 6 1 1 A 50 50 TYR C C 50 174.239 173.238 1.001 1
1 615 . 6 1 1 A 50 50 TYR CA C 50 53.610 54.940 -1.330 1
1 616 . 6 1 1 A 50 50 TYR CB C 50 40.077 40.756 -0.679 1
1 621 . 6 1 1 A 50 50 TYR N N 50 114.323 119.157 -4.834 1
1 622 . 6 1 1 A 51 51 TYR H H 51 9.230 9.299 -0.069 1
1 623 . 6 1 1 A 51 51 TYR HA H 51 4.555 4.963 -0.408 1
1 630 . 6 1 1 A 51 51 TYR C C 51 175.572 174.993 0.579 1
1 631 . 6 1 1 A 51 51 TYR CA C 51 57.175 57.057 0.118 1
1 632 . 6 1 1 A 51 51 TYR CB C 51 42.709 42.154 0.555 1
1 637 . 6 1 1 A 51 51 TYR N N 51 117.695 121.397 -3.702 1
1 638 . 6 1 1 A 52 52 ASP H H 52 9.390 8.716 0.674 1
1 639 . 6 1 1 A 52 52 ASP HA H 52 4.937 4.904 0.033 1
1 642 . 6 1 1 A 52 52 ASP CA C 52 52.057 52.036 0.021 1
1 643 . 6 1 1 A 52 52 ASP CB C 52 42.197 42.187 0.010 1
1 644 . 6 1 1 A 52 52 ASP N N 52 123.964 122.140 1.824 1
1 645 . 6 1 1 A 53 53 PRO HA H 53 4.274 4.402 -0.128 1
1 652 . 6 1 1 A 53 53 PRO C C 53 176.360 178.411 -2.051 1
1 653 . 6 1 1 A 53 53 PRO CA C 53 64.728 65.560 -0.832 1
1 654 . 6 1 1 A 53 53 PRO CB C 53 32.016 31.941 0.075 1
1 657 . 6 1 1 A 54 54 ALA H H 54 8.384 8.458 -0.074 1
1 658 . 6 1 1 A 54 54 ALA HA H 54 4.492 4.116 0.376 1
1 662 . 6 1 1 A 54 54 ALA C C 54 177.620 177.756 -0.136 1
1 663 . 6 1 1 A 54 54 ALA CA C 54 52.022 53.943 -1.921 1
1 664 . 6 1 1 A 54 54 ALA CB C 54 19.202 19.448 -0.246 1
1 665 . 6 1 1 A 54 54 ALA N N 54 120.140 119.293 0.847 1
1 666 . 6 1 1 A 55 55 GLY H H 55 7.710 7.138 0.572 1
1 667 . 6 1 1 A 55 55 GLY HA2 H 55 4.194 4.019 0.175 1
1 668 . 6 1 1 A 55 55 GLY HA3 H 55 3.833 4.019 -0.186 1
1 669 . 6 1 1 A 55 55 GLY C C 55 173.524 171.447 2.077 1
1 670 . 6 1 1 A 55 55 GLY CA C 55 45.421 45.385 0.036 1
1 671 . 6 1 1 A 55 55 GLY N N 55 107.828 102.914 4.914 1
1 672 . 6 1 1 A 56 56 ALA H H 56 8.339 8.370 -0.031 1
1 673 . 6 1 1 A 56 56 ALA HA H 56 4.378 4.832 -0.454 1
1 677 . 6 1 1 A 56 56 ALA C C 56 177.741 176.348 1.393 1
1 678 . 6 1 1 A 56 56 ALA CA C 56 52.410 51.282 1.128 1
1 679 . 6 1 1 A 56 56 ALA CB C 56 19.843 23.035 -3.192 1
1 680 . 6 1 1 A 56 56 ALA N N 56 125.269 122.241 3.028 1
1 681 . 6 1 1 A 57 57 GLU H H 57 8.567 9.033 -0.466 1
1 682 . 6 1 1 A 57 57 GLU HA H 57 4.160 4.495 -0.335 1
1 687 . 6 1 1 A 57 57 GLU C C 57 176.335 175.873 0.462 1
1 688 . 6 1 1 A 57 57 GLU CA C 57 57.616 57.934 -0.318 1
1 689 . 6 1 1 A 57 57 GLU CB C 57 30.083 32.108 -2.025 1
1 691 . 6 1 1 A 57 57 GLU N N 57 119.341 118.902 0.439 1
1 692 . 6 1 1 A 58 58 ASP H H 58 7.718 7.945 -0.227 1
1 693 . 6 1 1 A 58 58 ASP HA H 58 5.010 4.967 0.043 1
1 696 . 6 1 1 A 58 58 ASP C C 58 173.209 174.693 -1.484 1
1 697 . 6 1 1 A 58 58 ASP CA C 58 52.128 52.188 -0.060 1
1 698 . 6 1 1 A 58 58 ASP CB C 58 40.981 41.553 -0.572 1
1 699 . 6 1 1 A 58 58 ASP N N 58 118.499 116.387 2.112 1
1 700 . 6 1 1 A 59 59 PRO HA H 59 3.493 4.158 -0.665 1
1 707 . 6 1 1 A 59 59 PRO C C 59 177.111 177.702 -0.591 1
1 708 . 6 1 1 A 59 59 PRO CA C 59 63.069 62.319 0.750 1
1 709 . 6 1 1 A 59 59 PRO CB C 59 31.229 31.462 -0.233 1
1 712 . 6 1 1 A 60 60 LEU H H 60 8.770 8.354 0.416 1
1 713 . 6 1 1 A 60 60 LEU HA H 60 4.114 3.952 0.162 1
1 723 . 6 1 1 A 60 60 LEU C C 60 177.268 176.575 0.693 1
1 724 . 6 1 1 A 60 60 LEU CA C 60 55.181 57.161 -1.980 1
1 725 . 6 1 1 A 60 60 LEU CB C 60 42.750 42.264 0.486 1
1 729 . 6 1 1 A 60 60 LEU N N 60 121.907 121.042 0.865 1
1 730 . 6 1 1 A 61 61 GLY H H 61 6.472 6.442 0.030 1
1 731 . 6 1 1 A 61 61 GLY HA2 H 61 3.798 3.797 0.001 1
1 732 . 6 1 1 A 61 61 GLY HA3 H 61 3.382 3.830 -0.448 1
1 733 . 6 1 1 A 61 61 GLY C C 61 169.367 170.405 -1.038 1
1 734 . 6 1 1 A 61 61 GLY CA C 61 45.033 45.348 -0.315 1
1 735 . 6 1 1 A 61 61 GLY N N 61 103.740 103.084 0.656 1
1 736 . 6 1 1 A 62 62 ALA H H 62 8.024 8.450 -0.426 1
1 737 . 6 1 1 A 62 62 ALA HA H 62 4.644 5.137 -0.493 1
1 741 . 6 1 1 A 62 62 ALA C C 62 176.226 175.461 0.765 1
1 742 . 6 1 1 A 62 62 ALA CA C 62 50.839 50.978 -0.139 1
1 743 . 6 1 1 A 62 62 ALA CB C 62 23.914 23.123 0.791 1
1 744 . 6 1 1 A 62 62 ALA N N 62 120.249 121.983 -1.734 1
1 745 . 6 1 1 A 63 63 ILE H H 63 8.810 8.523 0.287 1
1 746 . 6 1 1 A 63 63 ILE HA H 63 4.119 4.728 -0.609 1
1 756 . 6 1 1 A 63 63 ILE C C 63 174.724 175.537 -0.813 1
1 757 . 6 1 1 A 63 63 ILE CA C 63 60.757 60.663 0.094 1
1 758 . 6 1 1 A 63 63 ILE CB C 63 40.319 39.978 0.341 1
1 762 . 6 1 1 A 63 63 ILE N N 63 122.110 119.373 2.737 1
1 763 . 6 1 1 A 64 64 HIS H H 64 9.073 9.134 -0.061 1
1 764 . 6 1 1 A 64 64 HIS HA H 64 3.948 4.513 -0.565 1
1 769 . 6 1 1 A 64 64 HIS C C 64 176.529 175.784 0.745 1
1 770 . 6 1 1 A 64 64 HIS CA C 64 54.951 57.748 -2.797 1
1 771 . 6 1 1 A 64 64 HIS CB C 64 30.494 30.756 -0.262 1
1 774 . 6 1 1 A 64 64 HIS N N 64 129.092 128.173 0.919 1
1 775 . 6 1 1 A 65 65 LEU H H 65 7.770 8.000 -0.230 1
1 776 . 6 1 1 A 65 65 LEU HA H 65 4.074 4.505 -0.431 1
1 786 . 6 1 1 A 65 65 LEU C C 65 176.808 177.180 -0.372 1
1 787 . 6 1 1 A 65 65 LEU CA C 65 54.951 54.631 0.320 1
1 788 . 6 1 1 A 65 65 LEU CB C 65 42.667 42.241 0.426 1
1 792 . 6 1 1 A 65 65 LEU N N 65 124.760 128.060 -3.300 1
1 793 . 6 1 1 A 66 66 ARG H H 66 6.515 7.247 -0.732 1
1 794 . 6 1 1 A 66 66 ARG HA H 66 4.085 3.752 0.333 1
1 801 . 6 1 1 A 66 66 ARG C C 66 178.638 177.594 1.044 1
1 802 . 6 1 1 A 66 66 ARG CA C 66 58.092 59.189 -1.097 1
1 803 . 6 1 1 A 66 66 ARG CB C 66 29.525 29.263 0.262 1
1 806 . 6 1 1 A 66 66 ARG N N 66 120.462 121.140 -0.678 1
1 807 . 6 1 1 A 67 67 GLY H H 67 9.300 7.675 1.625 1
1 808 . 6 1 1 A 67 67 GLY HA2 H 67 4.045 3.957 0.088 1
1 809 . 6 1 1 A 67 67 GLY HA3 H 67 3.826 3.967 -0.141 1
1 810 . 6 1 1 A 67 67 GLY C C 67 173.996 174.038 -0.042 1
1 811 . 6 1 1 A 67 67 GLY CA C 67 46.162 45.442 0.720 1
1 812 . 6 1 1 A 67 67 GLY N N 67 118.040 106.712 11.328 1
1 813 . 6 1 1 A 68 68 CYS H H 68 7.789 7.573 0.216 1
1 814 . 6 1 1 A 68 68 CYS HA H 68 4.779 4.401 0.378 1
1 817 . 6 1 1 A 68 68 CYS C C 68 173.148 174.074 -0.926 1
1 818 . 6 1 1 A 68 68 CYS CA C 68 57.545 59.229 -1.684 1
1 819 . 6 1 1 A 68 68 CYS CB C 68 28.644 28.671 -0.027 1
1 820 . 6 1 1 A 68 68 CYS N N 68 116.032 118.684 -2.652 1
1 821 . 6 1 1 A 69 69 VAL H H 69 8.665 8.859 -0.194 1
1 822 . 6 1 1 A 69 69 VAL HA H 69 4.364 4.796 -0.432 1
1 830 . 6 1 1 A 69 69 VAL C C 69 174.154 174.571 -0.417 1
1 831 . 6 1 1 A 69 69 VAL CA C 69 61.464 60.742 0.722 1
1 832 . 6 1 1 A 69 69 VAL CB C 69 35.041 35.797 -0.756 1
1 835 . 6 1 1 A 69 69 VAL N N 69 120.327 121.253 -0.926 1
1 836 . 6 1 1 A 70 70 VAL H H 70 8.656 8.760 -0.104 1
1 837 . 6 1 1 A 70 70 VAL HA H 70 5.543 5.066 0.477 1
1 845 . 6 1 1 A 70 70 VAL C C 70 174.105 174.997 -0.892 1
1 846 . 6 1 1 A 70 70 VAL CA C 70 59.028 61.194 -2.166 1
1 847 . 6 1 1 A 70 70 VAL CB C 70 34.237 33.896 0.341 1
1 850 . 6 1 1 A 70 70 VAL N N 70 124.719 126.048 -1.329 1
1 851 . 6 1 1 A 71 71 THR H H 71 8.883 8.465 0.418 1
1 852 . 6 1 1 A 71 71 THR HA H 71 4.724 4.784 -0.060 1
1 857 . 6 1 1 A 71 71 THR C C 71 173.087 172.659 0.428 1
1 858 . 6 1 1 A 71 71 THR CA C 71 59.875 60.490 -0.615 1
1 859 . 6 1 1 A 71 71 THR CB C 71 71.290 70.244 1.046 1
1 861 . 6 1 1 A 71 71 THR N N 71 120.107 120.560 -0.453 1
1 862 . 6 1 1 A 72 72 SER H H 72 8.706 8.947 -0.241 1
1 863 . 6 1 1 A 72 72 SER HA H 72 4.455 5.298 -0.843 1
1 866 . 6 1 1 A 72 72 SER C C 72 174.082 174.245 -0.163 1
1 867 . 6 1 1 A 72 72 SER CA C 72 59.204 57.485 1.719 1
1 868 . 6 1 1 A 72 72 SER CB C 72 63.476 65.410 -1.934 1
1 869 . 6 1 1 A 72 72 SER N N 72 120.128 118.611 1.517 1
1 870 . 6 1 1 A 73 73 VAL H H 73 7.825 8.743 -0.918 1
1 871 . 6 1 1 A 73 73 VAL HA H 73 4.302 4.431 -0.129 1
1 879 . 6 1 1 A 73 73 VAL C C 73 175.160 176.501 -1.341 1
1 880 . 6 1 1 A 73 73 VAL CA C 73 62.010 62.027 -0.017 1
1 881 . 6 1 1 A 73 73 VAL CB C 73 33.579 33.638 -0.059 1
1 884 . 6 1 1 A 73 73 VAL N N 73 125.377 123.652 1.725 1
1 885 . 6 1 1 A 74 74 GLU H H 74 8.706 8.524 0.182 1
1 886 . 6 1 1 A 74 74 GLU HA H 74 4.544 4.677 -0.133 1
1 891 . 6 1 1 A 74 74 GLU C C 74 176.420 176.826 -0.406 1
1 892 . 6 1 1 A 74 74 GLU CA C 74 55.622 55.514 0.108 1
1 893 . 6 1 1 A 74 74 GLU CB C 74 30.741 28.957 1.784 1
1 895 . 6 1 1 A 74 74 GLU N N 74 126.564 119.892 6.672 1
1 896 . 6 1 1 A 75 75 SER H H 75 8.639 7.635 1.004 1
1 897 . 6 1 1 A 75 75 SER HA H 75 4.447 4.452 -0.005 1
1 900 . 6 1 1 A 75 75 SER C C 75 174.299 174.128 0.171 1
1 901 . 6 1 1 A 75 75 SER CA C 75 58.339 59.064 -0.725 1
1 902 . 6 1 1 A 75 75 SER CB C 75 64.170 64.062 0.108 1
1 903 . 6 1 1 A 75 75 SER N N 75 117.961 117.205 0.756 1
1 904 . 6 1 1 A 76 76 ASN H H 76 8.672 8.619 0.053 1
1 905 . 6 1 1 A 76 76 ASN HA H 76 4.795 5.480 -0.685 1
1 910 . 6 1 1 A 76 76 ASN C C 76 175.584 174.030 1.554 1
1 911 . 6 1 1 A 76 76 ASN CA C 76 53.292 51.999 1.293 1
1 912 . 6 1 1 A 76 76 ASN CB C 76 39.089 41.741 -2.652 1
1 913 . 6 1 1 A 76 76 ASN N N 76 121.138 122.136 -0.998 1
1 915 . 6 1 1 A 78 78 ASN HA H 78 4.635 4.867 -0.232 1
1 920 . 6 1 1 A 78 78 ASN C C 78 175.681 175.831 -0.150 1
1 921 . 6 1 1 A 78 78 ASN CA C 78 53.610 54.670 -1.060 1
1 922 . 6 1 1 A 78 78 ASN CB C 78 38.496 40.729 -2.233 1
1 924 . 6 1 1 A 79 79 GLY H H 79 8.356 8.153 0.203 1
1 925 . 6 1 1 A 79 79 GLY HA2 H 79 3.821 4.041 -0.220 1
1 926 . 6 1 1 A 79 79 GLY HA3 H 79 4.011 4.044 -0.033 1
1 927 . 6 1 1 A 79 79 GLY C C 79 174.154 173.691 0.463 1
1 928 . 6 1 1 A 79 79 GLY CA C 79 45.563 45.502 0.061 1
1 929 . 6 1 1 A 79 79 GLY N N 79 108.284 106.988 1.296 1
1 930 . 6 1 1 A 80 80 ARG H H 80 7.919 8.044 -0.125 1
1 931 . 6 1 1 A 80 80 ARG HA H 80 4.344 4.577 -0.233 1
1 938 . 6 1 1 A 80 80 ARG C C 80 176.117 176.458 -0.341 1
1 939 . 6 1 1 A 80 80 ARG CA C 80 55.905 57.288 -1.383 1
1 940 . 6 1 1 A 80 80 ARG CB C 80 30.782 32.417 -1.635 1
1 943 . 6 1 1 A 80 80 ARG N N 80 120.470 118.710 1.760 1
1 944 . 6 1 1 A 81 81 LYS H H 81 8.427 8.011 0.416 1
1 945 . 6 1 1 A 81 81 LYS HA H 81 4.350 4.384 -0.034 1
1 954 . 6 1 1 A 81 81 LYS C C 81 176.808 178.385 -1.577 1
1 955 . 6 1 1 A 81 81 LYS CA C 81 56.416 55.593 0.823 1
1 956 . 6 1 1 A 81 81 LYS CB C 81 32.797 32.570 0.227 1
1 960 . 6 1 1 A 81 81 LYS N N 81 122.963 119.457 3.506 1
1 961 . 6 1 1 A 82 82 SER H H 82 8.440 8.024 0.416 1
1 962 . 6 1 1 A 82 82 SER HA H 82 4.380 4.073 0.307 1
1 965 . 6 1 1 A 82 82 SER C C 82 174.833 174.890 -0.057 1
1 966 . 6 1 1 A 82 82 SER CA C 82 58.763 62.043 -3.280 1
1 967 . 6 1 1 A 82 82 SER CB C 82 63.723 62.933 0.790 1
1 968 . 6 1 1 A 82 82 SER N N 82 118.053 116.053 2.000 1
1 969 . 6 1 1 A 83 83 GLU H H 83 8.648 7.901 0.747 1
1 970 . 6 1 1 A 83 83 GLU HA H 83 4.233 3.888 0.345 1
1 975 . 6 1 1 A 83 83 GLU C C 83 176.311 175.185 1.126 1
1 976 . 6 1 1 A 83 83 GLU CA C 83 57.104 59.324 -2.220 1
1 977 . 6 1 1 A 83 83 GLU CB C 83 29.795 27.743 2.052 1
1 979 . 6 1 1 A 83 83 GLU N N 83 121.793 116.914 4.879 1
1 980 . 6 1 1 A 84 84 GLU H H 84 8.088 8.918 -0.830 1
1 981 . 6 1 1 A 84 84 GLU HA H 84 4.161 4.564 -0.403 1
1 986 . 6 1 1 A 84 84 GLU C C 84 175.523 175.292 0.231 1
1 987 . 6 1 1 A 84 84 GLU CA C 84 56.275 54.946 1.329 1
1 988 . 6 1 1 A 84 84 GLU CB C 84 30.165 31.824 -1.659 1
1 990 . 6 1 1 A 84 84 GLU N N 84 119.385 118.870 0.515 1
1 991 . 6 1 1 A 85 85 GLU H H 85 7.907 8.432 -0.525 1
1 992 . 6 1 1 A 85 85 GLU HA H 85 4.350 4.308 0.042 1
1 997 . 6 1 1 A 85 85 GLU C C 85 175.002 176.588 -1.586 1
1 998 . 6 1 1 A 85 85 GLU CA C 85 55.569 56.229 -0.660 1
1 999 . 6 1 1 A 85 85 GLU CB C 85 32.098 30.665 1.433 1
1 1001 . 6 1 1 A 85 85 GLU N N 85 120.414 124.232 -3.818 1
1 1002 . 6 1 1 A 86 86 ASN H H 86 8.569 8.559 0.010 1
1 1003 . 6 1 1 A 86 86 ASN HA H 86 4.225 4.907 -0.682 1
1 1008 . 6 1 1 A 86 86 ASN C C 86 175.147 175.055 0.092 1
1 1009 . 6 1 1 A 86 86 ASN CA C 86 54.068 53.377 0.691 1
1 1010 . 6 1 1 A 86 86 ASN CB C 86 38.185 38.385 -0.200 1
1 1011 . 6 1 1 A 86 86 ASN N N 86 114.602 118.758 -4.156 1
1 1013 . 6 1 1 A 87 87 LEU H H 87 8.483 8.974 -0.491 1
1 1014 . 6 1 1 A 87 87 LEU HA H 87 5.186 5.506 -0.320 1
1 1024 . 6 1 1 A 87 87 LEU C C 87 178.480 175.622 2.858 1
1 1025 . 6 1 1 A 87 87 LEU CA C 87 55.128 53.134 1.994 1
1 1026 . 6 1 1 A 87 87 LEU CB C 87 44.559 46.090 -1.531 1
1 1030 . 6 1 1 A 87 87 LEU N N 87 121.334 124.305 -2.971 1
1 1031 . 6 1 1 A 88 88 PHE H H 88 9.512 7.999 1.513 1
1 1032 . 6 1 1 A 88 88 PHE HA H 88 5.156 5.040 0.116 1
1 1040 . 6 1 1 A 88 88 PHE C C 88 170.288 171.979 -1.691 1
1 1041 . 6 1 1 A 88 88 PHE CA C 88 56.787 56.123 0.664 1
1 1042 . 6 1 1 A 88 88 PHE CB C 88 41.763 41.596 0.167 1
1 1048 . 6 1 1 A 88 88 PHE N N 88 119.324 115.314 4.010 1
1 1049 . 6 1 1 A 89 89 GLU H H 89 9.028 9.018 0.010 1
1 1050 . 6 1 1 A 89 89 GLU HA H 89 5.293 5.038 0.255 1
1 1055 . 6 1 1 A 89 89 GLU C C 89 175.245 175.184 0.061 1
1 1056 . 6 1 1 A 89 89 GLU CA C 89 53.433 55.195 -1.762 1
1 1057 . 6 1 1 A 89 89 GLU CB C 89 34.566 31.822 2.744 1
1 1059 . 6 1 1 A 89 89 GLU N N 89 121.829 120.531 1.298 1
1 1060 . 6 1 1 A 90 90 ILE H H 90 8.655 8.759 -0.104 1
1 1061 . 6 1 1 A 90 90 ILE HA H 90 4.793 4.738 0.055 1
1 1071 . 6 1 1 A 90 90 ILE C C 90 174.808 175.044 -0.236 1
1 1072 . 6 1 1 A 90 90 ILE CA C 90 59.857 59.931 -0.074 1
1 1073 . 6 1 1 A 90 90 ILE CB C 90 41.886 39.869 2.017 1
1 1077 . 6 1 1 A 90 90 ILE N N 90 123.446 126.771 -3.325 1
1 1078 . 6 1 1 A 91 91 ILE H H 91 9.199 8.752 0.447 1
1 1079 . 6 1 1 A 91 91 ILE HA H 91 4.724 4.746 -0.022 1
1 1089 . 6 1 1 A 91 91 ILE C C 91 177.898 176.260 1.638 1
1 1090 . 6 1 1 A 91 91 ILE CA C 91 60.211 60.882 -0.671 1
1 1091 . 6 1 1 A 91 91 ILE CB C 91 39.043 37.771 1.272 1
1 1095 . 6 1 1 A 91 91 ILE N N 91 126.827 128.842 -2.015 1
1 1096 . 6 1 1 A 92 92 THR H H 92 9.086 8.238 0.848 1
1 1097 . 6 1 1 A 92 92 THR HA H 92 4.314 4.768 -0.454 1
1 1102 . 6 1 1 A 92 92 THR C C 92 176.857 175.082 1.775 1
1 1103 . 6 1 1 A 92 92 THR CA C 92 61.693 60.147 1.546 1
1 1104 . 6 1 1 A 92 92 THR CB C 92 70.920 70.602 0.318 1
1 1106 . 6 1 1 A 92 92 THR N N 92 117.131 117.224 -0.093 1
1 1107 . 6 1 1 A 93 93 ALA H H 93 9.192 8.872 0.320 1
1 1108 . 6 1 1 A 93 93 ALA HA H 93 4.101 4.106 -0.005 1
1 1112 . 6 1 1 A 93 93 ALA C C 93 178.008 177.483 0.525 1
1 1113 . 6 1 1 A 93 93 ALA CA C 93 54.634 54.234 0.400 1
1 1114 . 6 1 1 A 93 93 ALA CB C 93 18.198 18.554 -0.356 1
1 1115 . 6 1 1 A 93 93 ALA N N 93 123.540 123.723 -0.183 1
1 1116 . 6 1 1 A 94 94 ASP H H 94 7.979 7.696 0.283 1
1 1117 . 6 1 1 A 94 94 ASP HA H 94 4.724 4.727 -0.003 1
1 1120 . 6 1 1 A 94 94 ASP C C 94 174.324 175.776 -1.452 1
1 1121 . 6 1 1 A 94 94 ASP CA C 94 53.098 53.796 -0.698 1
1 1122 . 6 1 1 A 94 94 ASP CB C 94 39.336 41.204 -1.868 1
1 1123 . 6 1 1 A 94 94 ASP N N 94 113.209 116.777 -3.568 1
1 1124 . 6 1 1 A 95 95 GLU H H 95 8.152 8.016 0.136 1
1 1125 . 6 1 1 A 95 95 GLU HA H 95 3.430 3.806 -0.376 1
1 1130 . 6 1 1 A 95 95 GLU C C 95 174.578 175.515 -0.937 1
1 1131 . 6 1 1 A 95 95 GLU CA C 95 57.687 58.121 -0.434 1
1 1132 . 6 1 1 A 95 95 GLU CB C 95 26.300 27.643 -1.343 1
1 1134 . 6 1 1 A 95 95 GLU N N 95 114.010 115.332 -1.322 1
1 1135 . 6 1 1 A 96 96 VAL H H 96 7.595 7.231 0.364 1
1 1136 . 6 1 1 A 96 96 VAL HA H 96 4.063 3.911 0.152 1
1 1144 . 6 1 1 A 96 96 VAL C C 96 175.293 175.273 0.020 1
1 1145 . 6 1 1 A 96 96 VAL CA C 96 62.751 63.139 -0.388 1
1 1146 . 6 1 1 A 96 96 VAL CB C 96 31.440 31.569 -0.129 1
1 1149 . 6 1 1 A 96 96 VAL N N 96 120.925 120.521 0.404 1
1 1150 . 6 1 1 A 97 97 HIS H H 97 8.603 9.149 -0.546 1
1 1151 . 6 1 1 A 97 97 HIS HA H 97 5.234 5.128 0.106 1
1 1156 . 6 1 1 A 97 97 HIS C C 97 174.348 173.443 0.905 1
1 1157 . 6 1 1 A 97 97 HIS CA C 97 54.404 53.590 0.814 1
1 1158 . 6 1 1 A 97 97 HIS CB C 97 30.536 31.976 -1.440 1
1 1161 . 6 1 1 A 97 97 HIS N N 97 124.160 126.895 -2.735 1
1 1162 . 6 1 1 A 98 98 TYR H H 98 9.267 8.801 0.466 1
1 1163 . 6 1 1 A 98 98 TYR HA H 98 4.532 4.855 -0.323 1
1 1170 . 6 1 1 A 98 98 TYR C C 98 173.621 174.555 -0.934 1
1 1171 . 6 1 1 A 98 98 TYR CA C 98 57.122 56.484 0.638 1
1 1172 . 6 1 1 A 98 98 TYR CB C 98 41.228 42.466 -1.238 1
1 1177 . 6 1 1 A 98 98 TYR N N 98 121.543 120.111 1.432 1
1 1178 . 6 1 1 A 99 99 PHE H H 99 8.861 9.146 -0.285 1
1 1179 . 6 1 1 A 99 99 PHE HA H 99 4.983 5.297 -0.314 1
1 1186 . 6 1 1 A 99 99 PHE C C 99 173.754 174.334 -0.580 1
1 1187 . 6 1 1 A 99 99 PHE CA C 99 57.705 56.567 1.138 1
1 1188 . 6 1 1 A 99 99 PHE CB C 99 41.516 40.157 1.359 1
1 1193 . 6 1 1 A 99 99 PHE N N 99 121.699 122.333 -0.634 1
1 1194 . 6 1 1 A 100 100 LEU H H 100 8.529 8.225 0.304 1
1 1195 . 6 1 1 A 100 100 LEU HA H 100 5.345 5.417 -0.072 1
1 1205 . 6 1 1 A 100 100 LEU C C 100 174.942 174.752 0.190 1
1 1206 . 6 1 1 A 100 100 LEU CA C 100 52.781 52.770 0.011 1
1 1207 . 6 1 1 A 100 100 LEU CB C 100 44.518 43.721 0.797 1
1 1211 . 6 1 1 A 100 100 LEU N N 100 123.519 124.520 -1.001 1
1 1212 . 6 1 1 A 101 101 GLN H H 101 8.717 8.527 0.190 1
1 1213 . 6 1 1 A 101 101 GLN HA H 101 4.886 4.897 -0.011 1
1 1220 . 6 1 1 A 101 101 GLN C C 101 175.390 175.230 0.160 1
1 1221 . 6 1 1 A 101 101 GLN CA C 101 54.934 54.138 0.796 1
1 1222 . 6 1 1 A 101 101 GLN CB C 101 32.222 30.637 1.585 1
1 1224 . 6 1 1 A 101 101 GLN N N 101 117.786 124.259 -6.473 1
1 1226 . 6 1 1 A 102 102 ALA H H 102 8.256 9.619 -1.363 1
1 1227 . 6 1 1 A 102 102 ALA HA H 102 4.862 4.872 -0.010 1
1 1231 . 6 1 1 A 102 102 ALA C C 102 176.008 177.775 -1.767 1
1 1232 . 6 1 1 A 102 102 ALA CA C 102 50.098 51.173 -1.075 1
1 1233 . 6 1 1 A 102 102 ALA CB C 102 21.606 20.855 0.751 1
1 1234 . 6 1 1 A 102 102 ALA N N 102 128.068 129.125 -1.057 1
1 1235 . 6 1 1 A 103 103 ALA H H 103 9.255 8.749 0.506 1
1 1236 . 6 1 1 A 103 103 ALA HA H 103 4.247 4.215 0.032 1
1 1240 . 6 1 1 A 103 103 ALA C C 103 178.153 177.768 0.385 1
1 1241 . 6 1 1 A 103 103 ALA CA C 103 54.369 55.506 -1.137 1
1 1242 . 6 1 1 A 103 103 ALA CB C 103 20.377 18.940 1.437 1
1 1243 . 6 1 1 A 103 103 ALA N N 103 120.410 123.104 -2.694 1
1 1244 . 6 1 1 A 104 104 THR H H 104 7.149 7.880 -0.731 1
1 1245 . 6 1 1 A 104 104 THR HA H 104 4.846 4.767 0.079 1
1 1250 . 6 1 1 A 104 104 THR C C 104 173.354 173.955 -0.601 1
1 1251 . 6 1 1 A 104 104 THR CA C 104 57.810 59.116 -1.306 1
1 1252 . 6 1 1 A 104 104 THR CB C 104 71.496 70.249 1.247 1
1 1254 . 6 1 1 A 104 104 THR N N 104 103.106 108.955 -5.849 1
1 1255 . 6 1 1 A 105 105 PRO HA H 105 4.225 4.572 -0.347 1
1 1262 . 6 1 1 A 105 105 PRO C C 105 179.704 178.256 1.448 1
1 1263 . 6 1 1 A 105 105 PRO CA C 105 65.046 64.365 0.681 1
1 1264 . 6 1 1 A 105 105 PRO CB C 105 31.775 31.885 -0.110 1
1 1267 . 6 1 1 A 106 106 LYS H H 106 7.764 7.956 -0.192 1
1 1268 . 6 1 1 A 106 106 LYS HA H 106 4.036 4.073 -0.037 1
1 1277 . 6 1 1 A 106 106 LYS C C 106 177.959 178.586 -0.627 1
1 1278 . 6 1 1 A 106 106 LYS CA C 106 59.452 59.461 -0.009 1
1 1279 . 6 1 1 A 106 106 LYS CB C 106 32.797 32.026 0.771 1
1 1283 . 6 1 1 A 106 106 LYS N N 106 119.261 118.709 0.552 1
1 1284 . 6 1 1 A 107 107 GLU H H 107 8.005 8.097 -0.092 1
1 1285 . 6 1 1 A 107 107 GLU HA H 107 4.171 3.939 0.232 1
1 1290 . 6 1 1 A 107 107 GLU C C 107 178.529 178.569 -0.040 1
1 1291 . 6 1 1 A 107 107 GLU CA C 107 59.310 59.589 -0.279 1
1 1292 . 6 1 1 A 107 107 GLU CB C 107 31.111 29.091 2.020 1
1 1294 . 6 1 1 A 107 107 GLU N N 107 119.293 118.976 0.317 1
1 1295 . 6 1 1 A 108 108 ARG H H 108 7.810 7.627 0.183 1
1 1296 . 6 1 1 A 108 108 ARG HA H 108 3.603 4.296 -0.693 1
1 1303 . 6 1 1 A 108 108 ARG C C 108 176.287 178.903 -2.616 1
1 1304 . 6 1 1 A 108 108 ARG CA C 108 60.598 59.064 1.534 1
1 1305 . 6 1 1 A 108 108 ARG CB C 108 29.548 30.134 -0.586 1
1 1308 . 6 1 1 A 108 108 ARG N N 108 118.989 119.473 -0.484 1
1 1309 . 6 1 1 A 109 109 THR H H 109 8.195 8.097 0.098 1
1 1310 . 6 1 1 A 109 109 THR HA H 109 3.645 3.821 -0.176 1
1 1315 . 6 1 1 A 109 109 THR C C 109 176.227 176.739 -0.512 1
1 1316 . 6 1 1 A 109 109 THR CA C 109 67.022 67.383 -0.361 1
1 1317 . 6 1 1 A 109 109 THR CB C 109 68.576 68.110 0.466 1
1 1319 . 6 1 1 A 109 109 THR N N 109 115.975 116.017 -0.042 1
1 1320 . 6 1 1 A 110 110 GLU H H 110 8.274 8.283 -0.009 1
1 1321 . 6 1 1 A 110 110 GLU HA H 110 3.794 3.902 -0.108 1
1 1326 . 6 1 1 A 110 110 GLU C C 110 180.516 179.203 1.313 1
1 1327 . 6 1 1 A 110 110 GLU CA C 110 59.534 59.553 -0.019 1
1 1328 . 6 1 1 A 110 110 GLU CB C 110 29.507 29.105 0.402 1
1 1330 . 6 1 1 A 110 110 GLU N N 110 119.565 119.657 -0.092 1
1 1331 . 6 1 1 A 111 111 TRP H H 111 8.316 8.773 -0.457 1
1 1332 . 6 1 1 A 111 111 TRP HA H 111 3.912 4.358 -0.446 1
1 1341 . 6 1 1 A 111 111 TRP C C 111 178.020 178.435 -0.415 1
1 1342 . 6 1 1 A 111 111 TRP CA C 111 62.464 60.125 2.339 1
1 1343 . 6 1 1 A 111 111 TRP CB C 111 29.548 29.277 0.271 1
1 1349 . 6 1 1 A 111 111 TRP N N 111 120.868 120.705 0.163 1
1 1351 . 6 1 1 A 112 112 ILE H H 112 8.271 7.729 0.542 1
1 1352 . 6 1 1 A 112 112 ILE HA H 112 3.254 3.527 -0.273 1
1 1362 . 6 1 1 A 112 112 ILE C C 112 177.669 177.980 -0.311 1
1 1363 . 6 1 1 A 112 112 ILE CA C 112 67.040 64.889 2.151 1
1 1364 . 6 1 1 A 112 112 ILE CB C 112 37.856 37.765 0.091 1
1 1368 . 6 1 1 A 112 112 ILE N N 112 118.862 119.828 -0.966 1
1 1369 . 6 1 1 A 113 113 LYS H H 113 8.042 8.143 -0.101 1
1 1370 . 6 1 1 A 113 113 LYS HA H 113 3.991 4.050 -0.059 1
1 1379 . 6 1 1 A 113 113 LYS C C 113 178.977 179.021 -0.044 1
1 1380 . 6 1 1 A 113 113 LYS CA C 113 59.328 58.935 0.393 1
1 1381 . 6 1 1 A 113 113 LYS CB C 113 32.345 32.129 0.216 1
1 1385 . 6 1 1 A 113 113 LYS N N 113 117.182 119.733 -2.551 1
1 1386 . 6 1 1 A 114 114 ALA H H 114 7.686 8.630 -0.944 1
1 1387 . 6 1 1 A 114 114 ALA HA H 114 4.058 4.012 0.046 1
1 1391 . 6 1 1 A 114 114 ALA C C 114 179.849 179.774 0.075 1
1 1392 . 6 1 1 A 114 114 ALA CA C 114 55.146 55.105 0.041 1
1 1393 . 6 1 1 A 114 114 ALA CB C 114 18.362 18.809 -0.447 1
1 1394 . 6 1 1 A 114 114 ALA N N 114 120.689 122.233 -1.544 1
1 1395 . 6 1 1 A 115 115 ILE H H 115 8.594 8.999 -0.405 1
1 1396 . 6 1 1 A 115 115 ILE HA H 115 3.534 3.697 -0.163 1
1 1406 . 6 1 1 A 115 115 ILE C C 115 178.432 178.418 0.014 1
1 1407 . 6 1 1 A 115 115 ILE CA C 115 66.016 64.674 1.342 1
1 1408 . 6 1 1 A 115 115 ILE CB C 115 38.390 37.257 1.133 1
1 1412 . 6 1 1 A 115 115 ILE N N 115 118.898 117.480 1.418 1
1 1413 . 6 1 1 A 116 116 GLN H H 116 8.732 8.314 0.418 1
1 1414 . 6 1 1 A 116 116 GLN HA H 116 3.851 4.386 -0.535 1
1 1421 . 6 1 1 A 116 116 GLN C C 116 179.655 178.450 1.205 1
1 1422 . 6 1 1 A 116 116 GLN CA C 116 59.575 58.864 0.711 1
1 1423 . 6 1 1 A 116 116 GLN CB C 116 28.222 28.543 -0.321 1
1 1425 . 6 1 1 A 116 116 GLN N N 116 119.877 119.464 0.413 1
1 1427 . 6 1 1 A 117 117 MET H H 117 8.279 8.367 -0.088 1
1 1428 . 6 1 1 A 117 117 MET HA H 117 4.155 4.165 -0.010 1
1 1436 . 6 1 1 A 117 117 MET C C 117 179.123 178.624 0.499 1
1 1437 . 6 1 1 A 117 117 MET CA C 117 58.658 58.618 0.040 1
1 1438 . 6 1 1 A 117 117 MET CB C 117 31.934 32.785 -0.851 1
1 1441 . 6 1 1 A 117 117 MET N N 117 118.855 118.863 -0.008 1
1 1442 . 6 1 1 A 118 118 ALA H H 118 8.266 7.556 0.710 1
1 1443 . 6 1 1 A 118 118 ALA HA H 118 4.240 4.068 0.172 1
1 1447 . 6 1 1 A 118 118 ALA C C 118 178.820 179.517 -0.697 1
1 1448 . 6 1 1 A 118 118 ALA CA C 118 54.604 55.096 -0.492 1
1 1449 . 6 1 1 A 118 118 ALA CB C 118 18.627 19.090 -0.463 1
1 1450 . 6 1 1 A 118 118 ALA N N 118 121.702 122.236 -0.534 1
1 1451 . 6 1 1 A 119 119 SER H H 119 8.073 8.787 -0.714 1
1 1452 . 6 1 1 A 119 119 SER HA H 119 4.027 4.430 -0.403 1
1 1455 . 6 1 1 A 119 119 SER C C 119 174.663 177.124 -2.461 1
1 1456 . 6 1 1 A 119 119 SER CA C 119 60.122 61.714 -1.592 1
1 1457 . 6 1 1 A 119 119 SER CB C 119 64.299 62.399 1.900 1
1 1458 . 6 1 1 A 119 119 SER N N 119 110.080 112.775 -2.695 1
1 1459 . 6 1 1 A 120 120 ARG H H 120 7.345 8.600 -1.255 1
1 1460 . 6 1 1 A 120 120 ARG HA H 120 4.383 4.100 0.283 1
1 1467 . 6 1 1 A 120 120 ARG C C 120 176.372 176.711 -0.339 1
1 1468 . 6 1 1 A 120 120 ARG CA C 120 56.681 58.850 -2.169 1
1 1469 . 6 1 1 A 120 120 ARG CB C 120 30.248 29.847 0.401 1
1 1472 . 6 1 1 A 120 120 ARG N N 120 120.244 122.014 -1.770 1
1 1473 . 6 1 1 A 121 121 THR H H 121 8.070 8.899 -0.829 1
1 1474 . 6 1 1 A 121 121 THR HA H 121 4.365 4.312 0.053 1
1 1479 . 6 1 1 A 121 121 THR C C 121 175.281 174.289 0.992 1
1 1480 . 6 1 1 A 121 121 THR CA C 121 62.557 62.525 0.032 1
1 1481 . 6 1 1 A 121 121 THR CB C 121 70.298 68.999 1.299 1
1 1483 . 6 1 1 A 121 121 THR N N 121 114.024 114.088 -0.064 1
1 1484 . 6 1 1 A 122 122 GLY H H 122 8.520 8.543 -0.023 1
1 1485 . 6 1 1 A 122 122 GLY HA2 H 122 4.005 4.114 -0.109 1
1 1486 . 6 1 1 A 122 122 GLY HA3 H 122 4.005 4.117 -0.112 1
1 1487 . 6 1 1 A 122 122 GLY C C 122 174.118 174.111 0.007 1
1 1488 . 6 1 1 A 122 122 GLY CA C 122 45.351 45.460 -0.109 1
1 1489 . 6 1 1 A 122 122 GLY N N 122 111.123 110.404 0.719 1
1 1490 . 6 1 1 A 123 123 LYS H H 123 8.309 7.906 0.403 1
1 1491 . 6 1 1 A 123 123 LYS HA H 123 4.364 4.356 0.008 1
1 1500 . 6 1 1 A 123 123 LYS C C 123 176.772 175.063 1.709 1
1 1501 . 6 1 1 A 123 123 LYS CA C 123 56.310 58.298 -1.988 1
1 1502 . 6 1 1 A 123 123 LYS CB C 123 33.167 31.808 1.359 1
1 1506 . 6 1 1 A 123 123 LYS N N 123 121.100 116.468 4.632 1
1 1507 . 6 1 1 A 124 124 SER H H 124 8.453 8.934 -0.481 1
1 1508 . 6 1 1 A 124 124 SER HA H 124 4.489 5.140 -0.651 1
1 1509 . 6 1 1 A 124 124 SER C C 124 174.518 174.290 0.228 1
1 1510 . 6 1 1 A 124 124 SER CA C 124 58.357 57.631 0.726 1
1 1511 . 6 1 1 A 124 124 SER CB C 124 64.052 64.662 -0.610 1
1 1512 . 6 1 1 A 124 124 SER N N 124 117.316 119.617 -2.301 1
1 1513 . 6 1 1 A 125 125 GLY H H 125 8.278 8.589 -0.311 1
1 1514 . 6 1 1 A 125 125 GLY HA2 H 125 4.154 4.199 -0.045 1
1 1515 . 6 1 1 A 125 125 GLY HA3 H 125 4.102 4.199 -0.097 1
1 1516 . 6 1 1 A 125 125 GLY C C 125 171.827 173.520 -1.693 1
1 1517 . 6 1 1 A 125 125 GLY CA C 125 44.680 44.471 0.209 1
1 1518 . 6 1 1 A 125 125 GLY N N 125 110.670 111.872 -1.202 1
1 1519 . 6 1 1 A 126 126 PRO HA H 126 4.461 4.695 -0.234 1
1 1526 . 6 1 1 A 126 126 PRO C C 126 177.426 175.953 1.473 1
1 1527 . 6 1 1 A 126 126 PRO CA C 126 63.281 62.421 0.860 1
1 1528 . 6 1 1 A 126 126 PRO CB C 126 32.263 29.164 3.099 1
1 1531 . 6 1 1 A 127 127 SER H H 127 8.556 8.254 0.302 1
1 1532 . 6 1 1 A 127 127 SER HA H 127 4.489 4.867 -0.378 1
1 1535 . 6 1 1 A 127 127 SER C C 127 174.651 173.326 1.325 1
1 1536 . 6 1 1 A 127 127 SER CA C 127 58.410 58.146 0.264 1
1 1537 . 6 1 1 A 127 127 SER CB C 127 63.682 65.364 -1.682 1
1 1538 . 6 1 1 A 127 127 SER N N 127 116.423 117.530 -1.107 1
1 1539 . 6 1 1 A 128 128 SER H H 128 8.313 9.080 -0.767 1
1 1540 . 6 1 1 A 128 128 SER HA H 128 4.489 5.118 -0.629 1
1 1543 . 6 1 1 A 128 128 SER C C 128 173.936 173.508 0.428 1
1 1544 . 6 1 1 A 128 128 SER CA C 128 58.393 57.290 1.103 1
1 1545 . 6 1 1 A 128 128 SER CB C 128 64.052 64.629 -0.577 1
1 1546 . 6 1 1 A 128 128 SER N N 128 117.750 122.827 -5.077 1
1 1 . 7 1 1 A 6 6 SER HA H 6 4.475 4.943 -0.468 1
1 4 . 7 1 1 A 6 6 SER C C 6 174.978 173.666 1.312 1
1 5 . 7 1 1 A 6 6 SER CA C 6 58.657 56.588 2.069 1
1 6 . 7 1 1 A 6 6 SER CB C 6 63.682 66.341 -2.659 1
1 7 . 7 1 1 A 7 7 GLY H H 7 8.385 8.746 -0.361 1
1 8 . 7 1 1 A 7 7 GLY HA2 H 7 3.947 3.777 0.170 1
1 9 . 7 1 1 A 7 7 GLY HA3 H 7 3.947 3.778 0.169 1
1 10 . 7 1 1 A 7 7 GLY C C 7 173.900 173.553 0.347 1
1 11 . 7 1 1 A 7 7 GLY CA C 7 45.280 47.106 -1.826 1
1 12 . 7 1 1 A 7 7 GLY N N 7 110.753 110.907 -0.154 1
1 13 . 7 1 1 A 8 8 VAL H H 8 7.896 7.708 0.188 1
1 14 . 7 1 1 A 8 8 VAL HA H 8 4.046 4.860 -0.814 1
1 22 . 7 1 1 A 8 8 VAL C C 8 175.948 174.500 1.448 1
1 23 . 7 1 1 A 8 8 VAL CA C 8 62.399 59.428 2.971 1
1 24 . 7 1 1 A 8 8 VAL CB C 8 32.904 35.684 -2.780 1
1 27 . 7 1 1 A 8 8 VAL N N 8 119.771 118.493 1.278 1
1 28 . 7 1 1 A 9 9 ILE H H 9 8.253 8.504 -0.251 1
1 29 . 7 1 1 A 9 9 ILE HA H 9 4.103 4.286 -0.183 1
1 39 . 7 1 1 A 9 9 ILE C C 9 175.984 175.679 0.305 1
1 40 . 7 1 1 A 9 9 ILE CA C 9 60.657 61.312 -0.655 1
1 41 . 7 1 1 A 9 9 ILE CB C 9 38.349 38.454 -0.105 1
1 45 . 7 1 1 A 9 9 ILE N N 9 125.791 124.606 1.185 1
1 46 . 7 1 1 A 10 10 LEU H H 10 8.374 8.537 -0.163 1
1 47 . 7 1 1 A 10 10 LEU HA H 10 4.379 4.856 -0.477 1
1 57 . 7 1 1 A 10 10 LEU C C 10 177.171 175.821 1.350 1
1 58 . 7 1 1 A 10 10 LEU CA C 10 54.598 53.873 0.725 1
1 59 . 7 1 1 A 10 10 LEU CB C 10 42.873 45.204 -2.331 1
1 63 . 7 1 1 A 10 10 LEU N N 10 127.929 125.131 2.798 1
1 64 . 7 1 1 A 11 11 LYS H H 11 8.414 8.676 -0.262 1
1 65 . 7 1 1 A 11 11 LYS HA H 11 4.214 4.414 -0.200 1
1 74 . 7 1 1 A 11 11 LYS C C 11 177.244 177.222 0.022 1
1 75 . 7 1 1 A 11 11 LYS CA C 11 57.051 56.166 0.885 1
1 76 . 7 1 1 A 11 11 LYS CB C 11 33.332 33.559 -0.227 1
1 80 . 7 1 1 A 11 11 LYS N N 11 123.211 126.820 -3.609 1
1 81 . 7 1 1 A 12 12 GLU H H 12 8.629 8.900 -0.271 1
1 82 . 7 1 1 A 12 12 GLU HA H 12 3.745 4.502 -0.757 1
1 87 . 7 1 1 A 12 12 GLU C C 12 177.366 178.442 -1.076 1
1 88 . 7 1 1 A 12 12 GLU CA C 12 59.663 57.312 2.351 1
1 89 . 7 1 1 A 12 12 GLU CB C 12 29.672 30.339 -0.667 1
1 91 . 7 1 1 A 12 12 GLU N N 12 122.998 121.414 1.584 1
1 92 . 7 1 1 A 13 13 GLU H H 13 8.043 8.691 -0.648 1
1 93 . 7 1 1 A 13 13 GLU HA H 13 3.333 4.184 -0.851 1
1 98 . 7 1 1 A 13 13 GLU C C 13 175.451 176.905 -1.454 1
1 99 . 7 1 1 A 13 13 GLU CA C 13 57.634 58.370 -0.736 1
1 100 . 7 1 1 A 13 13 GLU CB C 13 28.567 28.074 0.493 1
1 102 . 7 1 1 A 13 13 GLU N N 13 113.498 118.620 -5.122 1
1 103 . 7 1 1 A 14 14 PHE H H 14 7.483 7.829 -0.346 1
1 104 . 7 1 1 A 14 14 PHE HA H 14 4.650 4.686 -0.036 1
1 112 . 7 1 1 A 14 14 PHE C C 14 175.657 175.978 -0.321 1
1 113 . 7 1 1 A 14 14 PHE CA C 14 56.187 57.069 -0.882 1
1 114 . 7 1 1 A 14 14 PHE CB C 14 39.665 38.595 1.070 1
1 120 . 7 1 1 A 14 14 PHE N N 14 115.879 117.969 -2.090 1
1 121 . 7 1 1 A 15 15 ARG H H 15 7.757 7.624 0.133 1
1 122 . 7 1 1 A 15 15 ARG HA H 15 4.154 4.602 -0.448 1
1 129 . 7 1 1 A 15 15 ARG C C 15 177.353 176.871 0.482 1
1 130 . 7 1 1 A 15 15 ARG CA C 15 58.092 57.037 1.055 1
1 131 . 7 1 1 A 15 15 ARG CB C 15 31.193 31.963 -0.770 1
1 134 . 7 1 1 A 15 15 ARG N N 15 118.945 117.040 1.905 1
1 135 . 7 1 1 A 16 16 GLY H H 16 8.812 7.814 0.998 1
1 136 . 7 1 1 A 16 16 GLY HA2 H 16 4.194 4.085 0.109 1
1 137 . 7 1 1 A 16 16 GLY HA3 H 16 3.824 4.094 -0.270 1
1 138 . 7 1 1 A 16 16 GLY C C 16 173.427 172.717 0.710 1
1 139 . 7 1 1 A 16 16 GLY CA C 16 45.157 44.497 0.660 1
1 140 . 7 1 1 A 16 16 GLY N N 16 109.133 109.865 -0.732 1
1 141 . 7 1 1 A 17 17 VAL H H 17 8.308 8.291 0.017 1
1 142 . 7 1 1 A 17 17 VAL HA H 17 4.060 4.842 -0.782 1
1 150 . 7 1 1 A 17 17 VAL C C 17 176.469 173.759 2.710 1
1 151 . 7 1 1 A 17 17 VAL CA C 17 62.098 59.332 2.766 1
1 152 . 7 1 1 A 17 17 VAL CB C 17 33.414 35.736 -2.322 1
1 155 . 7 1 1 A 17 17 VAL N N 17 120.815 119.283 1.532 1
1 156 . 7 1 1 A 18 18 ILE H H 18 8.547 8.824 -0.277 1
1 157 . 7 1 1 A 18 18 ILE HA H 18 4.186 4.892 -0.706 1
1 167 . 7 1 1 A 18 18 ILE C C 18 177.208 176.201 1.007 1
1 168 . 7 1 1 A 18 18 ILE CA C 18 63.175 59.592 3.583 1
1 169 . 7 1 1 A 18 18 ILE CB C 18 38.596 40.765 -2.169 1
1 173 . 7 1 1 A 18 18 ILE N N 18 125.006 122.931 2.075 1
1 174 . 7 1 1 A 19 19 ILE H H 19 9.127 8.364 0.763 1
1 175 . 7 1 1 A 19 19 ILE HA H 19 4.461 4.470 -0.009 1
1 185 . 7 1 1 A 19 19 ILE C C 19 176.081 175.594 0.487 1
1 186 . 7 1 1 A 19 19 ILE CA C 19 60.298 61.335 -1.037 1
1 187 . 7 1 1 A 19 19 ILE CB C 19 39.665 40.068 -0.403 1
1 191 . 7 1 1 A 19 19 ILE N N 19 124.358 120.389 3.969 1
1 192 . 7 1 1 A 20 20 LYS H H 20 7.620 7.801 -0.181 1
1 193 . 7 1 1 A 20 20 LYS HA H 20 4.325 4.780 -0.455 1
1 202 . 7 1 1 A 20 20 LYS C C 20 172.760 174.082 -1.322 1
1 203 . 7 1 1 A 20 20 LYS CA C 20 57.298 55.353 1.945 1
1 204 . 7 1 1 A 20 20 LYS CB C 20 36.458 35.734 0.724 1
1 208 . 7 1 1 A 20 20 LYS N N 20 121.749 121.728 0.021 1
1 209 . 7 1 1 A 21 21 GLN H H 21 8.572 8.557 0.015 1
1 210 . 7 1 1 A 21 21 GLN HA H 21 5.927 5.273 0.654 1
1 217 . 7 1 1 A 21 21 GLN C C 21 175.124 174.719 0.405 1
1 218 . 7 1 1 A 21 21 GLN CA C 21 54.227 54.663 -0.436 1
1 219 . 7 1 1 A 21 21 GLN CB C 21 33.369 33.260 0.109 1
1 221 . 7 1 1 A 21 21 GLN N N 21 121.653 124.001 -2.348 1
1 223 . 7 1 1 A 22 22 GLY H H 22 9.178 8.123 1.055 1
1 224 . 7 1 1 A 22 22 GLY HA2 H 22 4.904 4.343 0.561 1
1 225 . 7 1 1 A 22 22 GLY HA3 H 22 4.447 4.437 0.010 1
1 226 . 7 1 1 A 22 22 GLY C C 22 172.300 172.282 0.018 1
1 227 . 7 1 1 A 22 22 GLY CA C 22 45.650 45.784 -0.134 1
1 228 . 7 1 1 A 22 22 GLY N N 22 108.544 108.311 0.233 1
1 229 . 7 1 1 A 23 23 CYS H H 23 9.262 8.634 0.628 1
1 230 . 7 1 1 A 23 23 CYS HA H 23 5.904 6.013 -0.109 1
1 233 . 7 1 1 A 23 23 CYS C C 23 175.293 173.524 1.769 1
1 234 . 7 1 1 A 23 23 CYS CA C 23 59.222 57.358 1.864 1
1 235 . 7 1 1 A 23 23 CYS CB C 23 29.260 30.725 -1.465 1
1 236 . 7 1 1 A 23 23 CYS N N 23 118.575 117.607 0.968 1
1 237 . 7 1 1 A 24 24 LEU H H 24 9.131 10.112 -0.981 1
1 238 . 7 1 1 A 24 24 LEU HA H 24 4.627 5.075 -0.448 1
1 248 . 7 1 1 A 24 24 LEU C C 24 175.354 175.560 -0.206 1
1 249 . 7 1 1 A 24 24 LEU CA C 24 53.963 53.533 0.430 1
1 250 . 7 1 1 A 24 24 LEU CB C 24 47.315 45.427 1.888 1
1 254 . 7 1 1 A 24 24 LEU N N 24 122.880 123.784 -0.904 1
1 255 . 7 1 1 A 25 25 LEU H H 25 7.968 8.828 -0.860 1
1 256 . 7 1 1 A 25 25 LEU HA H 25 5.056 5.377 -0.321 1
1 266 . 7 1 1 A 25 25 LEU C C 25 175.766 175.089 0.677 1
1 267 . 7 1 1 A 25 25 LEU CA C 25 54.810 54.328 0.482 1
1 268 . 7 1 1 A 25 25 LEU CB C 25 44.065 42.458 1.607 1
1 272 . 7 1 1 A 25 25 LEU N N 25 119.755 121.753 -1.998 1
1 273 . 7 1 1 A 26 26 LYS H H 26 9.307 8.550 0.757 1
1 274 . 7 1 1 A 26 26 LYS HA H 26 5.166 4.717 0.449 1
1 283 . 7 1 1 A 26 26 LYS C C 26 175.778 176.387 -0.609 1
1 284 . 7 1 1 A 26 26 LYS CA C 26 54.687 55.855 -1.168 1
1 285 . 7 1 1 A 26 26 LYS CB C 26 37.033 33.623 3.410 1
1 289 . 7 1 1 A 26 26 LYS N N 26 122.635 126.505 -3.870 1
1 290 . 7 1 1 A 27 27 GLN H H 27 8.228 8.156 0.072 1
1 291 . 7 1 1 A 27 27 GLN HA H 27 3.839 4.320 -0.481 1
1 298 . 7 1 1 A 27 27 GLN C C 27 176.869 176.051 0.818 1
1 299 . 7 1 1 A 27 27 GLN CA C 27 55.922 54.924 0.998 1
1 300 . 7 1 1 A 27 27 GLN CB C 27 29.589 30.188 -0.599 1
1 302 . 7 1 1 A 27 27 GLN N N 27 132.145 125.877 6.268 1
1 304 . 7 1 1 A 28 28 GLY H H 28 8.434 8.130 0.304 1
1 305 . 7 1 1 A 28 28 GLY HA2 H 28 4.144 4.135 0.009 1
1 306 . 7 1 1 A 28 28 GLY HA3 H 28 3.999 4.158 -0.159 1
1 307 . 7 1 1 A 28 28 GLY CA C 28 45.457 44.276 1.181 1
1 308 . 7 1 1 A 28 28 GLY N N 28 114.691 110.185 4.506 1
1 309 . 7 1 1 A 29 29 HIS HA H 29 4.352 4.574 -0.222 1
1 314 . 7 1 1 A 29 29 HIS CA C 29 58.505 56.242 2.263 1
1 315 . 7 1 1 A 29 29 HIS CB C 29 30.967 31.020 -0.053 1
1 318 . 7 1 1 A 30 30 ARG HA H 30 4.114 3.600 0.514 1
1 325 . 7 1 1 A 30 30 ARG CA C 30 56.429 58.527 -2.098 1
1 326 . 7 1 1 A 30 30 ARG CB C 30 29.591 30.209 -0.618 1
1 329 . 7 1 1 A 31 31 ARG HA H 31 3.774 3.905 -0.131 1
1 336 . 7 1 1 A 31 31 ARG C C 31 175.536 175.776 -0.240 1
1 337 . 7 1 1 A 31 31 ARG CA C 31 55.922 56.332 -0.410 1
1 338 . 7 1 1 A 31 31 ARG CB C 31 29.302 28.844 0.458 1
1 341 . 7 1 1 A 32 32 LYS H H 32 8.011 8.193 -0.182 1
1 342 . 7 1 1 A 32 32 LYS HA H 32 4.164 4.541 -0.377 1
1 351 . 7 1 1 A 32 32 LYS C C 32 175.741 174.886 0.855 1
1 352 . 7 1 1 A 32 32 LYS CA C 32 56.239 57.618 -1.379 1
1 353 . 7 1 1 A 32 32 LYS CB C 32 32.016 35.348 -3.332 1
1 357 . 7 1 1 A 32 32 LYS N N 32 117.463 127.297 -9.834 1
1 358 . 7 1 1 A 33 33 ASN H H 33 7.870 7.848 0.022 1
1 359 . 7 1 1 A 33 33 ASN HA H 33 4.807 5.209 -0.402 1
1 364 . 7 1 1 A 33 33 ASN C C 33 173.681 174.782 -1.101 1
1 365 . 7 1 1 A 33 33 ASN CA C 33 52.551 52.189 0.362 1
1 366 . 7 1 1 A 33 33 ASN CB C 33 39.830 42.111 -2.281 1
1 367 . 7 1 1 A 33 33 ASN N N 33 117.522 115.889 1.633 1
1 369 . 7 1 1 A 34 34 TRP H H 34 8.704 8.785 -0.081 1
1 370 . 7 1 1 A 34 34 TRP HA H 34 4.807 4.754 0.053 1
1 379 . 7 1 1 A 34 34 TRP C C 34 176.129 177.099 -0.970 1
1 380 . 7 1 1 A 34 34 TRP CA C 34 56.540 58.371 -1.831 1
1 381 . 7 1 1 A 34 34 TRP CB C 34 31.399 30.632 0.767 1
1 387 . 7 1 1 A 34 34 TRP N N 34 121.620 123.392 -1.772 1
1 389 . 7 1 1 A 35 35 LYS H H 35 8.457 8.986 -0.529 1
1 390 . 7 1 1 A 35 35 LYS HA H 35 4.876 4.896 -0.020 1
1 399 . 7 1 1 A 35 35 LYS C C 35 176.081 175.973 0.108 1
1 400 . 7 1 1 A 35 35 LYS CA C 35 54.298 54.945 -0.647 1
1 401 . 7 1 1 A 35 35 LYS CB C 35 36.498 35.905 0.593 1
1 405 . 7 1 1 A 35 35 LYS N N 35 120.816 121.908 -1.092 1
1 406 . 7 1 1 A 36 36 VAL H H 36 8.974 8.672 0.302 1
1 407 . 7 1 1 A 36 36 VAL HA H 36 4.254 4.531 -0.277 1
1 415 . 7 1 1 A 36 36 VAL C C 36 176.808 175.640 1.168 1
1 416 . 7 1 1 A 36 36 VAL CA C 36 63.828 62.663 1.165 1
1 417 . 7 1 1 A 36 36 VAL CB C 36 31.687 32.343 -0.656 1
1 420 . 7 1 1 A 36 36 VAL N N 36 123.825 123.673 0.152 1
1 421 . 7 1 1 A 37 37 ARG H H 37 9.327 9.323 0.004 1
1 422 . 7 1 1 A 37 37 ARG HA H 37 4.930 4.925 0.005 1
1 427 . 7 1 1 A 37 37 ARG C C 37 173.815 174.372 -0.557 1
1 428 . 7 1 1 A 37 37 ARG CA C 37 54.351 54.635 -0.284 1
1 429 . 7 1 1 A 37 37 ARG CB C 37 34.709 34.219 0.490 1
1 432 . 7 1 1 A 37 37 ARG N N 37 128.926 124.658 4.268 1
1 433 . 7 1 1 A 38 38 LYS H H 38 8.714 8.596 0.118 1
1 434 . 7 1 1 A 38 38 LYS HA H 38 4.959 4.851 0.108 1
1 443 . 7 1 1 A 38 38 LYS C C 38 175.075 175.467 -0.392 1
1 444 . 7 1 1 A 38 38 LYS CA C 38 55.869 56.252 -0.383 1
1 445 . 7 1 1 A 38 38 LYS CB C 38 34.072 33.869 0.203 1
1 449 . 7 1 1 A 38 38 LYS N N 38 121.669 123.047 -1.378 1
1 450 . 7 1 1 A 39 39 PHE H H 39 9.751 9.725 0.026 1
1 451 . 7 1 1 A 39 39 PHE HA H 39 5.591 5.259 0.332 1
1 459 . 7 1 1 A 39 39 PHE C C 39 175.414 174.962 0.452 1
1 460 . 7 1 1 A 39 39 PHE CA C 39 57.474 56.822 0.652 1
1 461 . 7 1 1 A 39 39 PHE CB C 39 42.667 41.916 0.751 1
1 467 . 7 1 1 A 39 39 PHE N N 39 127.216 124.195 3.021 1
1 468 . 7 1 1 A 40 40 ILE H H 40 9.246 10.606 -1.360 1
1 469 . 7 1 1 A 40 40 ILE HA H 40 4.864 5.264 -0.400 1
1 479 . 7 1 1 A 40 40 ILE C C 40 174.724 174.275 0.449 1
1 480 . 7 1 1 A 40 40 ILE CA C 40 62.134 60.034 2.100 1
1 481 . 7 1 1 A 40 40 ILE CB C 40 41.022 40.928 0.094 1
1 485 . 7 1 1 A 40 40 ILE N N 40 119.337 123.758 -4.421 1
1 486 . 7 1 1 A 41 41 LEU H H 41 9.549 9.136 0.413 1
1 487 . 7 1 1 A 41 41 LEU HA H 41 5.485 5.355 0.130 1
1 497 . 7 1 1 A 41 41 LEU C C 41 174.457 174.832 -0.375 1
1 498 . 7 1 1 A 41 41 LEU CA C 41 54.004 53.703 0.301 1
1 499 . 7 1 1 A 41 41 LEU CB C 41 45.299 45.306 -0.007 1
1 503 . 7 1 1 A 41 41 LEU N N 41 132.451 131.035 1.416 1
1 504 . 7 1 1 A 42 42 ARG H H 42 9.383 9.098 0.285 1
1 505 . 7 1 1 A 42 42 ARG HA H 42 5.492 5.316 0.176 1
1 513 . 7 1 1 A 42 42 ARG C C 42 174.893 175.081 -0.188 1
1 514 . 7 1 1 A 42 42 ARG CA C 42 54.421 54.355 0.066 1
1 515 . 7 1 1 A 42 42 ARG CB C 42 35.470 33.332 2.138 1
1 518 . 7 1 1 A 42 42 ARG N N 42 128.467 125.547 2.920 1
1 520 . 7 1 1 A 43 43 GLU H H 43 8.259 8.638 -0.379 1
1 521 . 7 1 1 A 43 43 GLU HA H 43 4.366 4.834 -0.468 1
1 526 . 7 1 1 A 43 43 GLU C C 43 174.893 175.890 -0.997 1
1 527 . 7 1 1 A 43 43 GLU CA C 43 54.898 55.657 -0.759 1
1 528 . 7 1 1 A 43 43 GLU CB C 43 33.102 31.201 1.901 1
1 530 . 7 1 1 A 43 43 GLU N N 43 115.434 123.644 -8.210 1
1 531 . 7 1 1 A 44 44 ASP H H 44 7.870 9.007 -1.137 1
1 532 . 7 1 1 A 44 44 ASP HA H 44 4.433 4.240 0.193 1
1 535 . 7 1 1 A 44 44 ASP C C 44 172.991 174.288 -1.297 1
1 536 . 7 1 1 A 44 44 ASP CA C 44 53.892 54.920 -1.028 1
1 537 . 7 1 1 A 44 44 ASP CB C 44 41.146 39.586 1.560 1
1 538 . 7 1 1 A 44 44 ASP N N 44 114.444 120.074 -5.630 1
1 539 . 7 1 1 A 45 45 PRO HA H 45 4.710 4.535 0.175 1
1 546 . 7 1 1 A 45 45 PRO C C 45 176.747 175.411 1.336 1
1 547 . 7 1 1 A 45 45 PRO CA C 45 63.246 62.579 0.667 1
1 548 . 7 1 1 A 45 45 PRO CB C 45 34.977 32.785 2.192 1
1 551 . 7 1 1 A 46 46 ALA H H 46 8.356 8.162 0.194 1
1 552 . 7 1 1 A 46 46 ALA HA H 46 5.049 4.935 0.114 1
1 556 . 7 1 1 A 46 46 ALA C C 46 175.499 175.921 -0.422 1
1 557 . 7 1 1 A 46 46 ALA CA C 46 51.545 50.803 0.742 1
1 558 . 7 1 1 A 46 46 ALA CB C 46 19.655 19.463 0.192 1
1 559 . 7 1 1 A 46 46 ALA N N 46 122.969 123.219 -0.250 1
1 560 . 7 1 1 A 47 47 TYR H H 47 8.047 9.277 -1.230 1
1 561 . 7 1 1 A 47 47 TYR HA H 47 5.097 4.940 0.157 1
1 568 . 7 1 1 A 47 47 TYR C C 47 173.730 174.319 -0.589 1
1 569 . 7 1 1 A 47 47 TYR CA C 47 57.563 56.577 0.986 1
1 570 . 7 1 1 A 47 47 TYR CB C 47 45.711 43.184 2.527 1
1 575 . 7 1 1 A 47 47 TYR N N 47 126.550 121.213 5.337 1
1 576 . 7 1 1 A 48 48 LEU H H 48 8.776 8.565 0.211 1
1 577 . 7 1 1 A 48 48 LEU HA H 48 5.578 5.532 0.046 1
1 587 . 7 1 1 A 48 48 LEU C C 48 175.039 174.714 0.325 1
1 588 . 7 1 1 A 48 48 LEU CA C 48 53.134 53.556 -0.422 1
1 589 . 7 1 1 A 48 48 LEU CB C 48 46.369 44.929 1.440 1
1 593 . 7 1 1 A 48 48 LEU N N 48 120.864 124.856 -3.992 1
1 594 . 7 1 1 A 49 49 HIS H H 49 8.974 9.360 -0.386 1
1 595 . 7 1 1 A 49 49 HIS HA H 49 5.181 4.964 0.217 1
1 600 . 7 1 1 A 49 49 HIS C C 49 174.712 173.875 0.837 1
1 601 . 7 1 1 A 49 49 HIS CA C 49 57.916 53.888 4.028 1
1 602 . 7 1 1 A 49 49 HIS CB C 49 35.347 31.737 3.610 1
1 605 . 7 1 1 A 49 49 HIS N N 49 124.417 126.404 -1.987 1
1 606 . 7 1 1 A 50 50 TYR H H 50 7.348 8.014 -0.666 1
1 607 . 7 1 1 A 50 50 TYR HA H 50 5.909 5.392 0.517 1
1 614 . 7 1 1 A 50 50 TYR C C 50 174.239 173.104 1.135 1
1 615 . 7 1 1 A 50 50 TYR CA C 50 53.610 55.095 -1.485 1
1 616 . 7 1 1 A 50 50 TYR CB C 50 40.077 40.806 -0.729 1
1 621 . 7 1 1 A 50 50 TYR N N 50 114.323 118.894 -4.571 1
1 622 . 7 1 1 A 51 51 TYR H H 51 9.230 9.277 -0.047 1
1 623 . 7 1 1 A 51 51 TYR HA H 51 4.555 4.914 -0.359 1
1 630 . 7 1 1 A 51 51 TYR C C 51 175.572 175.159 0.413 1
1 631 . 7 1 1 A 51 51 TYR CA C 51 57.175 57.365 -0.190 1
1 632 . 7 1 1 A 51 51 TYR CB C 51 42.709 41.675 1.034 1
1 637 . 7 1 1 A 51 51 TYR N N 51 117.695 122.486 -4.791 1
1 638 . 7 1 1 A 52 52 ASP H H 52 9.390 8.679 0.711 1
1 639 . 7 1 1 A 52 52 ASP HA H 52 4.937 4.873 0.064 1
1 642 . 7 1 1 A 52 52 ASP CA C 52 52.057 52.078 -0.021 1
1 643 . 7 1 1 A 52 52 ASP CB C 52 42.197 42.182 0.015 1
1 644 . 7 1 1 A 52 52 ASP N N 52 123.964 122.137 1.827 1
1 645 . 7 1 1 A 53 53 PRO HA H 53 4.274 4.405 -0.131 1
1 652 . 7 1 1 A 53 53 PRO C C 53 176.360 178.406 -2.046 1
1 653 . 7 1 1 A 53 53 PRO CA C 53 64.728 65.533 -0.805 1
1 654 . 7 1 1 A 53 53 PRO CB C 53 32.016 31.936 0.080 1
1 657 . 7 1 1 A 54 54 ALA H H 54 8.384 8.317 0.067 1
1 658 . 7 1 1 A 54 54 ALA HA H 54 4.492 4.125 0.367 1
1 662 . 7 1 1 A 54 54 ALA C C 54 177.620 177.661 -0.041 1
1 663 . 7 1 1 A 54 54 ALA CA C 54 52.022 53.673 -1.651 1
1 664 . 7 1 1 A 54 54 ALA CB C 54 19.202 19.510 -0.308 1
1 665 . 7 1 1 A 54 54 ALA N N 54 120.140 119.385 0.755 1
1 666 . 7 1 1 A 55 55 GLY H H 55 7.710 7.275 0.435 1
1 667 . 7 1 1 A 55 55 GLY HA2 H 55 4.194 4.038 0.156 1
1 668 . 7 1 1 A 55 55 GLY HA3 H 55 3.833 4.040 -0.207 1
1 669 . 7 1 1 A 55 55 GLY C C 55 173.524 171.558 1.966 1
1 670 . 7 1 1 A 55 55 GLY CA C 55 45.421 44.879 0.542 1
1 671 . 7 1 1 A 55 55 GLY N N 55 107.828 103.705 4.123 1
1 672 . 7 1 1 A 56 56 ALA H H 56 8.339 8.213 0.126 1
1 673 . 7 1 1 A 56 56 ALA HA H 56 4.378 4.656 -0.278 1
1 677 . 7 1 1 A 56 56 ALA C C 56 177.741 176.300 1.441 1
1 678 . 7 1 1 A 56 56 ALA CA C 56 52.410 51.549 0.861 1
1 679 . 7 1 1 A 56 56 ALA CB C 56 19.843 22.590 -2.747 1
1 680 . 7 1 1 A 56 56 ALA N N 56 125.269 121.434 3.835 1
1 681 . 7 1 1 A 57 57 GLU H H 57 8.567 9.202 -0.635 1
1 682 . 7 1 1 A 57 57 GLU HA H 57 4.160 4.452 -0.292 1
1 687 . 7 1 1 A 57 57 GLU C C 57 176.335 175.741 0.594 1
1 688 . 7 1 1 A 57 57 GLU CA C 57 57.616 57.941 -0.325 1
1 689 . 7 1 1 A 57 57 GLU CB C 57 30.083 32.314 -2.231 1
1 691 . 7 1 1 A 57 57 GLU N N 57 119.341 117.822 1.519 1
1 692 . 7 1 1 A 58 58 ASP H H 58 7.718 7.894 -0.176 1
1 693 . 7 1 1 A 58 58 ASP HA H 58 5.010 4.842 0.168 1
1 696 . 7 1 1 A 58 58 ASP C C 58 173.209 175.235 -2.026 1
1 697 . 7 1 1 A 58 58 ASP CA C 58 52.128 52.224 -0.096 1
1 698 . 7 1 1 A 58 58 ASP CB C 58 40.981 41.338 -0.357 1
1 699 . 7 1 1 A 58 58 ASP N N 58 118.499 116.758 1.741 1
1 700 . 7 1 1 A 59 59 PRO HA H 59 3.493 4.197 -0.704 1
1 707 . 7 1 1 A 59 59 PRO C C 59 177.111 176.751 0.360 1
1 708 . 7 1 1 A 59 59 PRO CA C 59 63.069 62.098 0.971 1
1 709 . 7 1 1 A 59 59 PRO CB C 59 31.229 32.151 -0.922 1
1 712 . 7 1 1 A 60 60 LEU H H 60 8.770 8.489 0.281 1
1 713 . 7 1 1 A 60 60 LEU HA H 60 4.114 4.178 -0.064 1
1 723 . 7 1 1 A 60 60 LEU C C 60 177.268 176.049 1.219 1
1 724 . 7 1 1 A 60 60 LEU CA C 60 55.181 55.371 -0.190 1
1 725 . 7 1 1 A 60 60 LEU CB C 60 42.750 42.876 -0.126 1
1 729 . 7 1 1 A 60 60 LEU N N 60 121.907 120.330 1.577 1
1 730 . 7 1 1 A 61 61 GLY H H 61 6.472 6.856 -0.384 1
1 731 . 7 1 1 A 61 61 GLY HA2 H 61 3.798 3.881 -0.083 1
1 732 . 7 1 1 A 61 61 GLY HA3 H 61 3.382 3.894 -0.512 1
1 733 . 7 1 1 A 61 61 GLY C C 61 169.367 170.604 -1.237 1
1 734 . 7 1 1 A 61 61 GLY CA C 61 45.033 45.080 -0.047 1
1 735 . 7 1 1 A 61 61 GLY N N 61 103.740 105.497 -1.757 1
1 736 . 7 1 1 A 62 62 ALA H H 62 8.024 8.274 -0.250 1
1 737 . 7 1 1 A 62 62 ALA HA H 62 4.644 5.001 -0.357 1
1 741 . 7 1 1 A 62 62 ALA C C 62 176.226 175.690 0.536 1
1 742 . 7 1 1 A 62 62 ALA CA C 62 50.839 50.745 0.094 1
1 743 . 7 1 1 A 62 62 ALA CB C 62 23.914 22.763 1.151 1
1 744 . 7 1 1 A 62 62 ALA N N 62 120.249 121.150 -0.901 1
1 745 . 7 1 1 A 63 63 ILE H H 63 8.810 8.771 0.039 1
1 746 . 7 1 1 A 63 63 ILE HA H 63 4.119 4.620 -0.501 1
1 756 . 7 1 1 A 63 63 ILE C C 63 174.724 176.171 -1.447 1
1 757 . 7 1 1 A 63 63 ILE CA C 63 60.757 60.422 0.335 1
1 758 . 7 1 1 A 63 63 ILE CB C 63 40.319 39.285 1.034 1
1 762 . 7 1 1 A 63 63 ILE N N 63 122.110 119.987 2.123 1
1 763 . 7 1 1 A 64 64 HIS H H 64 9.073 9.078 -0.005 1
1 764 . 7 1 1 A 64 64 HIS HA H 64 3.948 4.555 -0.607 1
1 769 . 7 1 1 A 64 64 HIS C C 64 176.529 175.831 0.698 1
1 770 . 7 1 1 A 64 64 HIS CA C 64 54.951 57.957 -3.006 1
1 771 . 7 1 1 A 64 64 HIS CB C 64 30.494 30.629 -0.135 1
1 774 . 7 1 1 A 64 64 HIS N N 64 129.092 128.177 0.915 1
1 775 . 7 1 1 A 65 65 LEU H H 65 7.770 8.085 -0.315 1
1 776 . 7 1 1 A 65 65 LEU HA H 65 4.074 4.474 -0.400 1
1 786 . 7 1 1 A 65 65 LEU C C 65 176.808 176.893 -0.085 1
1 787 . 7 1 1 A 65 65 LEU CA C 65 54.951 54.526 0.425 1
1 788 . 7 1 1 A 65 65 LEU CB C 65 42.667 42.414 0.253 1
1 792 . 7 1 1 A 65 65 LEU N N 65 124.760 128.063 -3.303 1
1 793 . 7 1 1 A 66 66 ARG H H 66 6.515 7.000 -0.485 1
1 794 . 7 1 1 A 66 66 ARG HA H 66 4.085 3.669 0.416 1
1 801 . 7 1 1 A 66 66 ARG C C 66 178.638 177.449 1.189 1
1 802 . 7 1 1 A 66 66 ARG CA C 66 58.092 59.150 -1.058 1
1 803 . 7 1 1 A 66 66 ARG CB C 66 29.525 29.248 0.277 1
1 806 . 7 1 1 A 66 66 ARG N N 66 120.462 120.959 -0.497 1
1 807 . 7 1 1 A 67 67 GLY H H 67 9.300 7.655 1.645 1
1 808 . 7 1 1 A 67 67 GLY HA2 H 67 4.045 3.944 0.101 1
1 809 . 7 1 1 A 67 67 GLY HA3 H 67 3.826 3.946 -0.120 1
1 810 . 7 1 1 A 67 67 GLY C C 67 173.996 173.966 0.030 1
1 811 . 7 1 1 A 67 67 GLY CA C 67 46.162 45.530 0.632 1
1 812 . 7 1 1 A 67 67 GLY N N 67 118.040 106.532 11.508 1
1 813 . 7 1 1 A 68 68 CYS H H 68 7.789 7.639 0.150 1
1 814 . 7 1 1 A 68 68 CYS HA H 68 4.779 4.391 0.388 1
1 817 . 7 1 1 A 68 68 CYS C C 68 173.148 174.032 -0.884 1
1 818 . 7 1 1 A 68 68 CYS CA C 68 57.545 58.899 -1.354 1
1 819 . 7 1 1 A 68 68 CYS CB C 68 28.644 29.024 -0.380 1
1 820 . 7 1 1 A 68 68 CYS N N 68 116.032 118.528 -2.496 1
1 821 . 7 1 1 A 69 69 VAL H H 69 8.665 9.558 -0.893 1
1 822 . 7 1 1 A 69 69 VAL HA H 69 4.364 4.805 -0.441 1
1 830 . 7 1 1 A 69 69 VAL C C 69 174.154 174.812 -0.658 1
1 831 . 7 1 1 A 69 69 VAL CA C 69 61.464 60.714 0.750 1
1 832 . 7 1 1 A 69 69 VAL CB C 69 35.041 35.906 -0.865 1
1 835 . 7 1 1 A 69 69 VAL N N 69 120.327 121.107 -0.780 1
1 836 . 7 1 1 A 70 70 VAL H H 70 8.656 8.698 -0.042 1
1 837 . 7 1 1 A 70 70 VAL HA H 70 5.543 5.083 0.460 1
1 845 . 7 1 1 A 70 70 VAL C C 70 174.105 175.128 -1.023 1
1 846 . 7 1 1 A 70 70 VAL CA C 70 59.028 61.036 -2.008 1
1 847 . 7 1 1 A 70 70 VAL CB C 70 34.237 34.081 0.156 1
1 850 . 7 1 1 A 70 70 VAL N N 70 124.719 125.741 -1.022 1
1 851 . 7 1 1 A 71 71 THR H H 71 8.883 8.712 0.171 1
1 852 . 7 1 1 A 71 71 THR HA H 71 4.724 4.784 -0.060 1
1 857 . 7 1 1 A 71 71 THR C C 71 173.087 172.082 1.005 1
1 858 . 7 1 1 A 71 71 THR CA C 71 59.875 60.574 -0.699 1
1 859 . 7 1 1 A 71 71 THR CB C 71 71.290 70.180 1.110 1
1 861 . 7 1 1 A 71 71 THR N N 71 120.107 120.482 -0.375 1
1 862 . 7 1 1 A 72 72 SER H H 72 8.706 8.726 -0.020 1
1 863 . 7 1 1 A 72 72 SER HA H 72 4.455 5.397 -0.942 1
1 866 . 7 1 1 A 72 72 SER C C 72 174.082 174.459 -0.377 1
1 867 . 7 1 1 A 72 72 SER CA C 72 59.204 57.291 1.913 1
1 868 . 7 1 1 A 72 72 SER CB C 72 63.476 66.378 -2.902 1
1 869 . 7 1 1 A 72 72 SER N N 72 120.128 119.146 0.982 1
1 870 . 7 1 1 A 73 73 VAL H H 73 7.825 8.836 -1.011 1
1 871 . 7 1 1 A 73 73 VAL HA H 73 4.302 4.562 -0.260 1
1 879 . 7 1 1 A 73 73 VAL C C 73 175.160 175.950 -0.790 1
1 880 . 7 1 1 A 73 73 VAL CA C 73 62.010 61.180 0.830 1
1 881 . 7 1 1 A 73 73 VAL CB C 73 33.579 32.839 0.740 1
1 884 . 7 1 1 A 73 73 VAL N N 73 125.377 119.894 5.483 1
1 885 . 7 1 1 A 74 74 GLU H H 74 8.706 8.752 -0.046 1
1 886 . 7 1 1 A 74 74 GLU HA H 74 4.544 4.531 0.013 1
1 891 . 7 1 1 A 74 74 GLU C C 74 176.420 176.451 -0.031 1
1 892 . 7 1 1 A 74 74 GLU CA C 74 55.622 57.565 -1.943 1
1 893 . 7 1 1 A 74 74 GLU CB C 74 30.741 32.245 -1.504 1
1 895 . 7 1 1 A 74 74 GLU N N 74 126.564 121.358 5.206 1
1 896 . 7 1 1 A 75 75 SER H H 75 8.639 8.105 0.534 1
1 897 . 7 1 1 A 75 75 SER HA H 75 4.447 4.093 0.354 1
1 900 . 7 1 1 A 75 75 SER C C 75 174.299 173.380 0.919 1
1 901 . 7 1 1 A 75 75 SER CA C 75 58.339 59.007 -0.668 1
1 902 . 7 1 1 A 75 75 SER CB C 75 64.170 61.288 2.882 1
1 903 . 7 1 1 A 75 75 SER N N 75 117.961 114.872 3.089 1
1 904 . 7 1 1 A 76 76 ASN H H 76 8.672 8.284 0.388 1
1 905 . 7 1 1 A 76 76 ASN HA H 76 4.795 4.893 -0.098 1
1 910 . 7 1 1 A 76 76 ASN C C 76 175.584 174.158 1.426 1
1 911 . 7 1 1 A 76 76 ASN CA C 76 53.292 52.808 0.484 1
1 912 . 7 1 1 A 76 76 ASN CB C 76 39.089 38.405 0.684 1
1 913 . 7 1 1 A 76 76 ASN N N 76 121.138 121.733 -0.595 1
1 915 . 7 1 1 A 78 78 ASN HA H 78 4.635 4.931 -0.296 1
1 920 . 7 1 1 A 78 78 ASN C C 78 175.681 176.060 -0.379 1
1 921 . 7 1 1 A 78 78 ASN CA C 78 53.610 53.618 -0.008 1
1 922 . 7 1 1 A 78 78 ASN CB C 78 38.496 39.031 -0.535 1
1 924 . 7 1 1 A 79 79 GLY H H 79 8.356 8.563 -0.207 1
1 925 . 7 1 1 A 79 79 GLY HA2 H 79 3.821 3.924 -0.103 1
1 926 . 7 1 1 A 79 79 GLY HA3 H 79 4.011 3.927 0.084 1
1 927 . 7 1 1 A 79 79 GLY C C 79 174.154 174.017 0.137 1
1 928 . 7 1 1 A 79 79 GLY CA C 79 45.563 47.177 -1.614 1
1 929 . 7 1 1 A 79 79 GLY N N 79 108.284 109.346 -1.062 1
1 930 . 7 1 1 A 80 80 ARG H H 80 7.919 8.671 -0.752 1
1 931 . 7 1 1 A 80 80 ARG HA H 80 4.344 4.498 -0.154 1
1 938 . 7 1 1 A 80 80 ARG C C 80 176.117 175.585 0.532 1
1 939 . 7 1 1 A 80 80 ARG CA C 80 55.905 56.881 -0.976 1
1 940 . 7 1 1 A 80 80 ARG CB C 80 30.782 32.995 -2.213 1
1 943 . 7 1 1 A 80 80 ARG N N 80 120.470 122.323 -1.853 1
1 944 . 7 1 1 A 81 81 LYS H H 81 8.427 7.868 0.559 1
1 945 . 7 1 1 A 81 81 LYS HA H 81 4.350 4.756 -0.406 1
1 954 . 7 1 1 A 81 81 LYS C C 81 176.808 175.848 0.960 1
1 955 . 7 1 1 A 81 81 LYS CA C 81 56.416 54.497 1.919 1
1 956 . 7 1 1 A 81 81 LYS CB C 81 32.797 34.641 -1.844 1
1 960 . 7 1 1 A 81 81 LYS N N 81 122.963 117.787 5.176 1
1 961 . 7 1 1 A 82 82 SER H H 82 8.440 8.949 -0.509 1
1 962 . 7 1 1 A 82 82 SER HA H 82 4.380 4.630 -0.250 1
1 965 . 7 1 1 A 82 82 SER C C 82 174.833 174.352 0.481 1
1 966 . 7 1 1 A 82 82 SER CA C 82 58.763 58.944 -0.181 1
1 967 . 7 1 1 A 82 82 SER CB C 82 63.723 63.943 -0.220 1
1 968 . 7 1 1 A 82 82 SER N N 82 118.053 118.046 0.007 1
1 969 . 7 1 1 A 83 83 GLU H H 83 8.648 9.018 -0.370 1
1 970 . 7 1 1 A 83 83 GLU HA H 83 4.233 4.491 -0.258 1
1 975 . 7 1 1 A 83 83 GLU C C 83 176.311 174.711 1.600 1
1 976 . 7 1 1 A 83 83 GLU CA C 83 57.104 58.187 -1.083 1
1 977 . 7 1 1 A 83 83 GLU CB C 83 29.795 32.323 -2.528 1
1 979 . 7 1 1 A 83 83 GLU N N 83 121.793 125.979 -4.186 1
1 980 . 7 1 1 A 84 84 GLU H H 84 8.088 7.653 0.435 1
1 981 . 7 1 1 A 84 84 GLU HA H 84 4.161 4.482 -0.321 1
1 986 . 7 1 1 A 84 84 GLU C C 84 175.523 175.212 0.311 1
1 987 . 7 1 1 A 84 84 GLU CA C 84 56.275 55.061 1.214 1
1 988 . 7 1 1 A 84 84 GLU CB C 84 30.165 32.949 -2.784 1
1 990 . 7 1 1 A 84 84 GLU N N 84 119.385 117.310 2.075 1
1 991 . 7 1 1 A 85 85 GLU H H 85 7.907 8.310 -0.403 1
1 992 . 7 1 1 A 85 85 GLU HA H 85 4.350 4.523 -0.173 1
1 997 . 7 1 1 A 85 85 GLU C C 85 175.002 175.898 -0.896 1
1 998 . 7 1 1 A 85 85 GLU CA C 85 55.569 55.536 0.033 1
1 999 . 7 1 1 A 85 85 GLU CB C 85 32.098 30.971 1.127 1
1 1001 . 7 1 1 A 85 85 GLU N N 85 120.414 123.959 -3.545 1
1 1002 . 7 1 1 A 86 86 ASN H H 86 8.569 8.551 0.018 1
1 1003 . 7 1 1 A 86 86 ASN HA H 86 4.225 5.090 -0.865 1
1 1008 . 7 1 1 A 86 86 ASN C C 86 175.147 174.979 0.168 1
1 1009 . 7 1 1 A 86 86 ASN CA C 86 54.068 53.345 0.723 1
1 1010 . 7 1 1 A 86 86 ASN CB C 86 38.185 39.277 -1.092 1
1 1011 . 7 1 1 A 86 86 ASN N N 86 114.602 118.700 -4.098 1
1 1013 . 7 1 1 A 87 87 LEU H H 87 8.483 8.879 -0.396 1
1 1014 . 7 1 1 A 87 87 LEU HA H 87 5.186 5.156 0.030 1
1 1024 . 7 1 1 A 87 87 LEU C C 87 178.480 175.279 3.201 1
1 1025 . 7 1 1 A 87 87 LEU CA C 87 55.128 53.126 2.002 1
1 1026 . 7 1 1 A 87 87 LEU CB C 87 44.559 46.521 -1.962 1
1 1030 . 7 1 1 A 87 87 LEU N N 87 121.334 124.719 -3.385 1
1 1031 . 7 1 1 A 88 88 PHE H H 88 9.512 8.049 1.463 1
1 1032 . 7 1 1 A 88 88 PHE HA H 88 5.156 5.101 0.055 1
1 1040 . 7 1 1 A 88 88 PHE C C 88 170.288 172.186 -1.898 1
1 1041 . 7 1 1 A 88 88 PHE CA C 88 56.787 56.554 0.233 1
1 1042 . 7 1 1 A 88 88 PHE CB C 88 41.763 41.314 0.449 1
1 1048 . 7 1 1 A 88 88 PHE N N 88 119.324 116.963 2.361 1
1 1049 . 7 1 1 A 89 89 GLU H H 89 9.028 8.989 0.039 1
1 1050 . 7 1 1 A 89 89 GLU HA H 89 5.293 5.027 0.266 1
1 1055 . 7 1 1 A 89 89 GLU C C 89 175.245 175.101 0.144 1
1 1056 . 7 1 1 A 89 89 GLU CA C 89 53.433 55.350 -1.917 1
1 1057 . 7 1 1 A 89 89 GLU CB C 89 34.566 31.380 3.186 1
1 1059 . 7 1 1 A 89 89 GLU N N 89 121.829 120.757 1.072 1
1 1060 . 7 1 1 A 90 90 ILE H H 90 8.655 8.437 0.218 1
1 1061 . 7 1 1 A 90 90 ILE HA H 90 4.793 4.649 0.144 1
1 1071 . 7 1 1 A 90 90 ILE C C 90 174.808 174.815 -0.007 1
1 1072 . 7 1 1 A 90 90 ILE CA C 90 59.857 60.089 -0.232 1
1 1073 . 7 1 1 A 90 90 ILE CB C 90 41.886 40.066 1.820 1
1 1077 . 7 1 1 A 90 90 ILE N N 90 123.446 126.549 -3.103 1
1 1078 . 7 1 1 A 91 91 ILE H H 91 9.199 8.865 0.334 1
1 1079 . 7 1 1 A 91 91 ILE HA H 91 4.724 4.797 -0.073 1
1 1089 . 7 1 1 A 91 91 ILE C C 91 177.898 175.970 1.928 1
1 1090 . 7 1 1 A 91 91 ILE CA C 91 60.211 60.566 -0.355 1
1 1091 . 7 1 1 A 91 91 ILE CB C 91 39.043 38.425 0.618 1
1 1095 . 7 1 1 A 91 91 ILE N N 91 126.827 128.885 -2.058 1
1 1096 . 7 1 1 A 92 92 THR H H 92 9.086 8.037 1.049 1
1 1097 . 7 1 1 A 92 92 THR HA H 92 4.314 4.809 -0.495 1
1 1102 . 7 1 1 A 92 92 THR C C 92 176.857 175.609 1.248 1
1 1103 . 7 1 1 A 92 92 THR CA C 92 61.693 59.958 1.735 1
1 1104 . 7 1 1 A 92 92 THR CB C 92 70.920 71.720 -0.800 1
1 1106 . 7 1 1 A 92 92 THR N N 92 117.131 116.805 0.326 1
1 1107 . 7 1 1 A 93 93 ALA H H 93 9.192 8.934 0.258 1
1 1108 . 7 1 1 A 93 93 ALA HA H 93 4.101 4.153 -0.052 1
1 1112 . 7 1 1 A 93 93 ALA C C 93 178.008 177.626 0.382 1
1 1113 . 7 1 1 A 93 93 ALA CA C 93 54.634 54.273 0.361 1
1 1114 . 7 1 1 A 93 93 ALA CB C 93 18.198 18.492 -0.294 1
1 1115 . 7 1 1 A 93 93 ALA N N 93 123.540 123.929 -0.389 1
1 1116 . 7 1 1 A 94 94 ASP H H 94 7.979 7.397 0.582 1
1 1117 . 7 1 1 A 94 94 ASP HA H 94 4.724 4.717 0.007 1
1 1120 . 7 1 1 A 94 94 ASP C C 94 174.324 175.592 -1.268 1
1 1121 . 7 1 1 A 94 94 ASP CA C 94 53.098 53.803 -0.705 1
1 1122 . 7 1 1 A 94 94 ASP CB C 94 39.336 41.165 -1.829 1
1 1123 . 7 1 1 A 94 94 ASP N N 94 113.209 116.935 -3.726 1
1 1124 . 7 1 1 A 95 95 GLU H H 95 8.152 8.414 -0.262 1
1 1125 . 7 1 1 A 95 95 GLU HA H 95 3.430 3.803 -0.373 1
1 1130 . 7 1 1 A 95 95 GLU C C 95 174.578 175.524 -0.946 1
1 1131 . 7 1 1 A 95 95 GLU CA C 95 57.687 57.972 -0.285 1
1 1132 . 7 1 1 A 95 95 GLU CB C 95 26.300 27.373 -1.073 1
1 1134 . 7 1 1 A 95 95 GLU N N 95 114.010 115.173 -1.163 1
1 1135 . 7 1 1 A 96 96 VAL H H 96 7.595 7.147 0.448 1
1 1136 . 7 1 1 A 96 96 VAL HA H 96 4.063 3.881 0.182 1
1 1144 . 7 1 1 A 96 96 VAL C C 96 175.293 175.083 0.210 1
1 1145 . 7 1 1 A 96 96 VAL CA C 96 62.751 63.062 -0.311 1
1 1146 . 7 1 1 A 96 96 VAL CB C 96 31.440 31.449 -0.009 1
1 1149 . 7 1 1 A 96 96 VAL N N 96 120.925 120.478 0.447 1
1 1150 . 7 1 1 A 97 97 HIS H H 97 8.603 9.051 -0.448 1
1 1151 . 7 1 1 A 97 97 HIS HA H 97 5.234 5.135 0.099 1
1 1156 . 7 1 1 A 97 97 HIS C C 97 174.348 173.473 0.875 1
1 1157 . 7 1 1 A 97 97 HIS CA C 97 54.404 53.605 0.799 1
1 1158 . 7 1 1 A 97 97 HIS CB C 97 30.536 32.244 -1.708 1
1 1161 . 7 1 1 A 97 97 HIS N N 97 124.160 126.596 -2.436 1
1 1162 . 7 1 1 A 98 98 TYR H H 98 9.267 8.746 0.521 1
1 1163 . 7 1 1 A 98 98 TYR HA H 98 4.532 4.809 -0.277 1
1 1170 . 7 1 1 A 98 98 TYR C C 98 173.621 174.331 -0.710 1
1 1171 . 7 1 1 A 98 98 TYR CA C 98 57.122 56.208 0.914 1
1 1172 . 7 1 1 A 98 98 TYR CB C 98 41.228 41.654 -0.426 1
1 1177 . 7 1 1 A 98 98 TYR N N 98 121.543 120.046 1.497 1
1 1178 . 7 1 1 A 99 99 PHE H H 99 8.861 8.963 -0.102 1
1 1179 . 7 1 1 A 99 99 PHE HA H 99 4.983 5.160 -0.177 1
1 1186 . 7 1 1 A 99 99 PHE C C 99 173.754 174.877 -1.123 1
1 1187 . 7 1 1 A 99 99 PHE CA C 99 57.705 57.086 0.619 1
1 1188 . 7 1 1 A 99 99 PHE CB C 99 41.516 39.548 1.968 1
1 1193 . 7 1 1 A 99 99 PHE N N 99 121.699 123.071 -1.372 1
1 1194 . 7 1 1 A 100 100 LEU H H 100 8.529 8.270 0.259 1
1 1195 . 7 1 1 A 100 100 LEU HA H 100 5.345 5.304 0.041 1
1 1205 . 7 1 1 A 100 100 LEU C C 100 174.942 174.513 0.429 1
1 1206 . 7 1 1 A 100 100 LEU CA C 100 52.781 52.784 -0.003 1
1 1207 . 7 1 1 A 100 100 LEU CB C 100 44.518 43.616 0.902 1
1 1211 . 7 1 1 A 100 100 LEU N N 100 123.519 124.724 -1.205 1
1 1212 . 7 1 1 A 101 101 GLN H H 101 8.717 8.603 0.114 1
1 1213 . 7 1 1 A 101 101 GLN HA H 101 4.886 4.781 0.105 1
1 1220 . 7 1 1 A 101 101 GLN C C 101 175.390 174.642 0.748 1
1 1221 . 7 1 1 A 101 101 GLN CA C 101 54.934 54.452 0.482 1
1 1222 . 7 1 1 A 101 101 GLN CB C 101 32.222 30.053 2.169 1
1 1224 . 7 1 1 A 101 101 GLN N N 101 117.786 124.785 -6.999 1
1 1226 . 7 1 1 A 102 102 ALA H H 102 8.256 8.798 -0.542 1
1 1227 . 7 1 1 A 102 102 ALA HA H 102 4.862 4.924 -0.062 1
1 1231 . 7 1 1 A 102 102 ALA C C 102 176.008 178.129 -2.121 1
1 1232 . 7 1 1 A 102 102 ALA CA C 102 50.098 50.820 -0.722 1
1 1233 . 7 1 1 A 102 102 ALA CB C 102 21.606 20.943 0.663 1
1 1234 . 7 1 1 A 102 102 ALA N N 102 128.068 128.824 -0.756 1
1 1235 . 7 1 1 A 103 103 ALA H H 103 9.255 8.770 0.485 1
1 1236 . 7 1 1 A 103 103 ALA HA H 103 4.247 4.058 0.189 1
1 1240 . 7 1 1 A 103 103 ALA C C 103 178.153 177.794 0.359 1
1 1241 . 7 1 1 A 103 103 ALA CA C 103 54.369 55.962 -1.593 1
1 1242 . 7 1 1 A 103 103 ALA CB C 103 20.377 18.787 1.590 1
1 1243 . 7 1 1 A 103 103 ALA N N 103 120.410 125.801 -5.391 1
1 1244 . 7 1 1 A 104 104 THR H H 104 7.149 7.833 -0.684 1
1 1245 . 7 1 1 A 104 104 THR HA H 104 4.846 4.780 0.066 1
1 1250 . 7 1 1 A 104 104 THR C C 104 173.354 173.954 -0.600 1
1 1251 . 7 1 1 A 104 104 THR CA C 104 57.810 59.325 -1.515 1
1 1252 . 7 1 1 A 104 104 THR CB C 104 71.496 70.344 1.152 1
1 1254 . 7 1 1 A 104 104 THR N N 104 103.106 109.107 -6.001 1
1 1255 . 7 1 1 A 105 105 PRO HA H 105 4.225 4.608 -0.383 1
1 1262 . 7 1 1 A 105 105 PRO C C 105 179.704 178.007 1.697 1
1 1263 . 7 1 1 A 105 105 PRO CA C 105 65.046 64.199 0.847 1
1 1264 . 7 1 1 A 105 105 PRO CB C 105 31.775 31.858 -0.083 1
1 1267 . 7 1 1 A 106 106 LYS H H 106 7.764 7.677 0.087 1
1 1268 . 7 1 1 A 106 106 LYS HA H 106 4.036 4.091 -0.055 1
1 1277 . 7 1 1 A 106 106 LYS C C 106 177.959 178.454 -0.495 1
1 1278 . 7 1 1 A 106 106 LYS CA C 106 59.452 59.430 0.022 1
1 1279 . 7 1 1 A 106 106 LYS CB C 106 32.797 32.147 0.650 1
1 1283 . 7 1 1 A 106 106 LYS N N 106 119.261 118.628 0.633 1
1 1284 . 7 1 1 A 107 107 GLU H H 107 8.005 7.924 0.081 1
1 1285 . 7 1 1 A 107 107 GLU HA H 107 4.171 4.060 0.111 1
1 1290 . 7 1 1 A 107 107 GLU C C 107 178.529 178.885 -0.356 1
1 1291 . 7 1 1 A 107 107 GLU CA C 107 59.310 59.560 -0.250 1
1 1292 . 7 1 1 A 107 107 GLU CB C 107 31.111 29.278 1.833 1
1 1294 . 7 1 1 A 107 107 GLU N N 107 119.293 118.816 0.477 1
1 1295 . 7 1 1 A 108 108 ARG H H 108 7.810 7.572 0.238 1
1 1296 . 7 1 1 A 108 108 ARG HA H 108 3.603 4.381 -0.778 1
1 1303 . 7 1 1 A 108 108 ARG C C 108 176.287 178.877 -2.590 1
1 1304 . 7 1 1 A 108 108 ARG CA C 108 60.598 59.112 1.486 1
1 1305 . 7 1 1 A 108 108 ARG CB C 108 29.548 30.261 -0.713 1
1 1308 . 7 1 1 A 108 108 ARG N N 108 118.989 119.476 -0.487 1
1 1309 . 7 1 1 A 109 109 THR H H 109 8.195 8.134 0.061 1
1 1310 . 7 1 1 A 109 109 THR HA H 109 3.645 3.879 -0.234 1
1 1315 . 7 1 1 A 109 109 THR C C 109 176.227 176.859 -0.632 1
1 1316 . 7 1 1 A 109 109 THR CA C 109 67.022 67.223 -0.201 1
1 1317 . 7 1 1 A 109 109 THR CB C 109 68.576 68.162 0.414 1
1 1319 . 7 1 1 A 109 109 THR N N 109 115.975 116.206 -0.231 1
1 1320 . 7 1 1 A 110 110 GLU H H 110 8.274 8.248 0.026 1
1 1321 . 7 1 1 A 110 110 GLU HA H 110 3.794 3.904 -0.110 1
1 1326 . 7 1 1 A 110 110 GLU C C 110 180.516 179.516 1.000 1
1 1327 . 7 1 1 A 110 110 GLU CA C 110 59.534 59.752 -0.218 1
1 1328 . 7 1 1 A 110 110 GLU CB C 110 29.507 29.199 0.308 1
1 1330 . 7 1 1 A 110 110 GLU N N 110 119.565 120.084 -0.519 1
1 1331 . 7 1 1 A 111 111 TRP H H 111 8.316 9.116 -0.800 1
1 1332 . 7 1 1 A 111 111 TRP HA H 111 3.912 4.274 -0.362 1
1 1341 . 7 1 1 A 111 111 TRP C C 111 178.020 178.411 -0.391 1
1 1342 . 7 1 1 A 111 111 TRP CA C 111 62.464 60.141 2.323 1
1 1343 . 7 1 1 A 111 111 TRP CB C 111 29.548 29.401 0.147 1
1 1349 . 7 1 1 A 111 111 TRP N N 111 120.868 120.732 0.136 1
1 1351 . 7 1 1 A 112 112 ILE H H 112 8.271 7.717 0.554 1
1 1352 . 7 1 1 A 112 112 ILE HA H 112 3.254 3.520 -0.266 1
1 1362 . 7 1 1 A 112 112 ILE C C 112 177.669 177.960 -0.291 1
1 1363 . 7 1 1 A 112 112 ILE CA C 112 67.040 64.921 2.119 1
1 1364 . 7 1 1 A 112 112 ILE CB C 112 37.856 37.606 0.250 1
1 1368 . 7 1 1 A 112 112 ILE N N 112 118.862 119.582 -0.720 1
1 1369 . 7 1 1 A 113 113 LYS H H 113 8.042 8.160 -0.118 1
1 1370 . 7 1 1 A 113 113 LYS HA H 113 3.991 4.008 -0.017 1
1 1379 . 7 1 1 A 113 113 LYS C C 113 178.977 179.292 -0.315 1
1 1380 . 7 1 1 A 113 113 LYS CA C 113 59.328 59.232 0.096 1
1 1381 . 7 1 1 A 113 113 LYS CB C 113 32.345 32.234 0.111 1
1 1385 . 7 1 1 A 113 113 LYS N N 113 117.182 119.815 -2.633 1
1 1386 . 7 1 1 A 114 114 ALA H H 114 7.686 8.672 -0.986 1
1 1387 . 7 1 1 A 114 114 ALA HA H 114 4.058 3.993 0.065 1
1 1391 . 7 1 1 A 114 114 ALA C C 114 179.849 179.836 0.013 1
1 1392 . 7 1 1 A 114 114 ALA CA C 114 55.146 55.002 0.144 1
1 1393 . 7 1 1 A 114 114 ALA CB C 114 18.362 18.512 -0.150 1
1 1394 . 7 1 1 A 114 114 ALA N N 114 120.689 121.840 -1.151 1
1 1395 . 7 1 1 A 115 115 ILE H H 115 8.594 9.055 -0.461 1
1 1396 . 7 1 1 A 115 115 ILE HA H 115 3.534 3.592 -0.058 1
1 1406 . 7 1 1 A 115 115 ILE C C 115 178.432 177.962 0.470 1
1 1407 . 7 1 1 A 115 115 ILE CA C 115 66.016 65.535 0.481 1
1 1408 . 7 1 1 A 115 115 ILE CB C 115 38.390 37.882 0.508 1
1 1412 . 7 1 1 A 115 115 ILE N N 115 118.898 117.834 1.064 1
1 1413 . 7 1 1 A 116 116 GLN H H 116 8.732 8.640 0.092 1
1 1414 . 7 1 1 A 116 116 GLN HA H 116 3.851 4.300 -0.449 1
1 1421 . 7 1 1 A 116 116 GLN C C 116 179.655 178.473 1.182 1
1 1422 . 7 1 1 A 116 116 GLN CA C 116 59.575 59.012 0.563 1
1 1423 . 7 1 1 A 116 116 GLN CB C 116 28.222 28.599 -0.377 1
1 1425 . 7 1 1 A 116 116 GLN N N 116 119.877 118.809 1.068 1
1 1427 . 7 1 1 A 117 117 MET H H 117 8.279 8.310 -0.031 1
1 1428 . 7 1 1 A 117 117 MET HA H 117 4.155 4.002 0.153 1
1 1436 . 7 1 1 A 117 117 MET C C 117 179.123 177.835 1.288 1
1 1437 . 7 1 1 A 117 117 MET CA C 117 58.658 58.318 0.340 1
1 1438 . 7 1 1 A 117 117 MET CB C 117 31.934 32.270 -0.336 1
1 1441 . 7 1 1 A 117 117 MET N N 117 118.855 119.626 -0.771 1
1 1442 . 7 1 1 A 118 118 ALA H H 118 8.266 7.634 0.632 1
1 1443 . 7 1 1 A 118 118 ALA HA H 118 4.240 4.054 0.186 1
1 1447 . 7 1 1 A 118 118 ALA C C 118 178.820 179.743 -0.923 1
1 1448 . 7 1 1 A 118 118 ALA CA C 118 54.604 55.177 -0.573 1
1 1449 . 7 1 1 A 118 118 ALA CB C 118 18.627 18.876 -0.249 1
1 1450 . 7 1 1 A 118 118 ALA N N 118 121.702 122.119 -0.417 1
1 1451 . 7 1 1 A 119 119 SER H H 119 8.073 8.983 -0.910 1
1 1452 . 7 1 1 A 119 119 SER HA H 119 4.027 4.417 -0.390 1
1 1455 . 7 1 1 A 119 119 SER C C 119 174.663 177.277 -2.614 1
1 1456 . 7 1 1 A 119 119 SER CA C 119 60.122 61.639 -1.517 1
1 1457 . 7 1 1 A 119 119 SER CB C 119 64.299 62.885 1.414 1
1 1458 . 7 1 1 A 119 119 SER N N 119 110.080 112.589 -2.509 1
1 1459 . 7 1 1 A 120 120 ARG H H 120 7.345 8.338 -0.993 1
1 1460 . 7 1 1 A 120 120 ARG HA H 120 4.383 4.112 0.271 1
1 1467 . 7 1 1 A 120 120 ARG C C 120 176.372 176.286 0.086 1
1 1468 . 7 1 1 A 120 120 ARG CA C 120 56.681 59.542 -2.861 1
1 1469 . 7 1 1 A 120 120 ARG CB C 120 30.248 30.174 0.074 1
1 1472 . 7 1 1 A 120 120 ARG N N 120 120.244 121.082 -0.838 1
1 1473 . 7 1 1 A 121 121 THR H H 121 8.070 7.911 0.159 1
1 1474 . 7 1 1 A 121 121 THR HA H 121 4.365 4.008 0.357 1
1 1479 . 7 1 1 A 121 121 THR C C 121 175.281 175.141 0.140 1
1 1480 . 7 1 1 A 121 121 THR CA C 121 62.557 62.874 -0.317 1
1 1481 . 7 1 1 A 121 121 THR CB C 121 70.298 67.186 3.112 1
1 1483 . 7 1 1 A 121 121 THR N N 121 114.024 112.947 1.077 1
1 1484 . 7 1 1 A 122 122 GLY H H 122 8.520 8.453 0.067 1
1 1485 . 7 1 1 A 122 122 GLY HA2 H 122 4.005 3.840 0.165 1
1 1486 . 7 1 1 A 122 122 GLY HA3 H 122 4.005 3.843 0.162 1
1 1487 . 7 1 1 A 122 122 GLY C C 122 174.118 174.905 -0.787 1
1 1488 . 7 1 1 A 122 122 GLY CA C 122 45.351 47.369 -2.018 1
1 1489 . 7 1 1 A 122 122 GLY N N 122 111.123 115.272 -4.149 1
1 1490 . 7 1 1 A 123 123 LYS H H 123 8.309 8.097 0.212 1
1 1491 . 7 1 1 A 123 123 LYS HA H 123 4.364 4.191 0.173 1
1 1500 . 7 1 1 A 123 123 LYS C C 123 176.772 175.727 1.045 1
1 1501 . 7 1 1 A 123 123 LYS CA C 123 56.310 58.793 -2.483 1
1 1502 . 7 1 1 A 123 123 LYS CB C 123 33.167 32.047 1.120 1
1 1506 . 7 1 1 A 123 123 LYS N N 123 121.100 119.726 1.374 1
1 1507 . 7 1 1 A 124 124 SER H H 124 8.453 8.499 -0.046 1
1 1508 . 7 1 1 A 124 124 SER HA H 124 4.489 4.422 0.067 1
1 1509 . 7 1 1 A 124 124 SER C C 124 174.518 174.847 -0.329 1
1 1510 . 7 1 1 A 124 124 SER CA C 124 58.357 59.659 -1.302 1
1 1511 . 7 1 1 A 124 124 SER CB C 124 64.052 63.383 0.669 1
1 1512 . 7 1 1 A 124 124 SER N N 124 117.316 115.791 1.525 1
1 1513 . 7 1 1 A 125 125 GLY H H 125 8.278 8.291 -0.013 1
1 1514 . 7 1 1 A 125 125 GLY HA2 H 125 4.154 4.176 -0.022 1
1 1515 . 7 1 1 A 125 125 GLY HA3 H 125 4.102 4.176 -0.074 1
1 1516 . 7 1 1 A 125 125 GLY C C 125 171.827 170.724 1.103 1
1 1517 . 7 1 1 A 125 125 GLY CA C 125 44.680 45.355 -0.675 1
1 1518 . 7 1 1 A 125 125 GLY N N 125 110.670 111.626 -0.956 1
1 1519 . 7 1 1 A 126 126 PRO HA H 126 4.461 4.688 -0.227 1
1 1526 . 7 1 1 A 126 126 PRO C C 126 177.426 174.972 2.454 1
1 1527 . 7 1 1 A 126 126 PRO CA C 126 63.281 62.531 0.750 1
1 1528 . 7 1 1 A 126 126 PRO CB C 126 32.263 33.219 -0.956 1
1 1531 . 7 1 1 A 127 127 SER H H 127 8.556 8.560 -0.004 1
1 1532 . 7 1 1 A 127 127 SER HA H 127 4.489 5.232 -0.743 1
1 1535 . 7 1 1 A 127 127 SER C C 127 174.651 172.606 2.045 1
1 1536 . 7 1 1 A 127 127 SER CA C 127 58.410 56.965 1.445 1
1 1537 . 7 1 1 A 127 127 SER CB C 127 63.682 65.387 -1.705 1
1 1538 . 7 1 1 A 127 127 SER N N 127 116.423 115.901 0.522 1
1 1539 . 7 1 1 A 128 128 SER H H 128 8.313 8.393 -0.080 1
1 1540 . 7 1 1 A 128 128 SER HA H 128 4.489 4.947 -0.458 1
1 1543 . 7 1 1 A 128 128 SER C C 128 173.936 173.564 0.372 1
1 1544 . 7 1 1 A 128 128 SER CA C 128 58.393 57.836 0.557 1
1 1545 . 7 1 1 A 128 128 SER CB C 128 64.052 63.971 0.081 1
1 1546 . 7 1 1 A 128 128 SER N N 128 117.750 120.607 -2.857 1
1 1 . 8 1 1 A 6 6 SER HA H 6 4.475 5.280 -0.805 1
1 4 . 8 1 1 A 6 6 SER C C 6 174.978 173.382 1.596 1
1 5 . 8 1 1 A 6 6 SER CA C 6 58.657 56.604 2.053 1
1 6 . 8 1 1 A 6 6 SER CB C 6 63.682 65.645 -1.963 1
1 7 . 8 1 1 A 7 7 GLY H H 7 8.385 8.831 -0.446 1
1 8 . 8 1 1 A 7 7 GLY HA2 H 7 3.947 4.290 -0.343 1
1 9 . 8 1 1 A 7 7 GLY HA3 H 7 3.947 4.296 -0.349 1
1 10 . 8 1 1 A 7 7 GLY C C 7 173.900 172.152 1.748 1
1 11 . 8 1 1 A 7 7 GLY CA C 7 45.280 44.772 0.508 1
1 12 . 8 1 1 A 7 7 GLY N N 7 110.753 113.020 -2.267 1
1 13 . 8 1 1 A 8 8 VAL H H 8 7.896 8.887 -0.991 1
1 14 . 8 1 1 A 8 8 VAL HA H 8 4.046 4.791 -0.745 1
1 22 . 8 1 1 A 8 8 VAL C C 8 175.948 174.694 1.254 1
1 23 . 8 1 1 A 8 8 VAL CA C 8 62.399 59.639 2.760 1
1 24 . 8 1 1 A 8 8 VAL CB C 8 32.904 35.608 -2.704 1
1 27 . 8 1 1 A 8 8 VAL N N 8 119.771 122.228 -2.457 1
1 28 . 8 1 1 A 9 9 ILE H H 9 8.253 8.622 -0.369 1
1 29 . 8 1 1 A 9 9 ILE HA H 9 4.103 4.074 0.029 1
1 39 . 8 1 1 A 9 9 ILE C C 9 175.984 175.661 0.323 1
1 40 . 8 1 1 A 9 9 ILE CA C 9 60.657 62.233 -1.576 1
1 41 . 8 1 1 A 9 9 ILE CB C 9 38.349 38.115 0.234 1
1 45 . 8 1 1 A 9 9 ILE N N 9 125.791 124.805 0.986 1
1 46 . 8 1 1 A 10 10 LEU H H 10 8.374 8.601 -0.227 1
1 47 . 8 1 1 A 10 10 LEU HA H 10 4.379 5.068 -0.689 1
1 57 . 8 1 1 A 10 10 LEU C C 10 177.171 176.058 1.113 1
1 58 . 8 1 1 A 10 10 LEU CA C 10 54.598 53.686 0.912 1
1 59 . 8 1 1 A 10 10 LEU CB C 10 42.873 43.811 -0.938 1
1 63 . 8 1 1 A 10 10 LEU N N 10 127.929 128.246 -0.317 1
1 64 . 8 1 1 A 11 11 LYS H H 11 8.414 8.765 -0.351 1
1 65 . 8 1 1 A 11 11 LYS HA H 11 4.214 4.342 -0.128 1
1 74 . 8 1 1 A 11 11 LYS C C 11 177.244 177.441 -0.197 1
1 75 . 8 1 1 A 11 11 LYS CA C 11 57.051 55.919 1.132 1
1 76 . 8 1 1 A 11 11 LYS CB C 11 33.332 33.174 0.158 1
1 80 . 8 1 1 A 11 11 LYS N N 11 123.211 127.257 -4.046 1
1 81 . 8 1 1 A 12 12 GLU H H 12 8.629 8.487 0.142 1
1 82 . 8 1 1 A 12 12 GLU HA H 12 3.745 4.303 -0.558 1
1 87 . 8 1 1 A 12 12 GLU C C 12 177.366 178.888 -1.522 1
1 88 . 8 1 1 A 12 12 GLU CA C 12 59.663 58.118 1.545 1
1 89 . 8 1 1 A 12 12 GLU CB C 12 29.672 30.411 -0.739 1
1 91 . 8 1 1 A 12 12 GLU N N 12 122.998 121.200 1.798 1
1 92 . 8 1 1 A 13 13 GLU H H 13 8.043 8.530 -0.487 1
1 93 . 8 1 1 A 13 13 GLU HA H 13 3.333 4.207 -0.874 1
1 98 . 8 1 1 A 13 13 GLU C C 13 175.451 177.131 -1.680 1
1 99 . 8 1 1 A 13 13 GLU CA C 13 57.634 58.524 -0.890 1
1 100 . 8 1 1 A 13 13 GLU CB C 13 28.567 28.125 0.442 1
1 102 . 8 1 1 A 13 13 GLU N N 13 113.498 118.407 -4.909 1
1 103 . 8 1 1 A 14 14 PHE H H 14 7.483 7.896 -0.413 1
1 104 . 8 1 1 A 14 14 PHE HA H 14 4.650 4.614 0.036 1
1 112 . 8 1 1 A 14 14 PHE C C 14 175.657 176.378 -0.721 1
1 113 . 8 1 1 A 14 14 PHE CA C 14 56.187 57.312 -1.125 1
1 114 . 8 1 1 A 14 14 PHE CB C 14 39.665 38.025 1.640 1
1 120 . 8 1 1 A 14 14 PHE N N 14 115.879 118.355 -2.476 1
1 121 . 8 1 1 A 15 15 ARG H H 15 7.757 8.347 -0.590 1
1 122 . 8 1 1 A 15 15 ARG HA H 15 4.154 4.527 -0.373 1
1 129 . 8 1 1 A 15 15 ARG C C 15 177.353 175.272 2.081 1
1 130 . 8 1 1 A 15 15 ARG CA C 15 58.092 55.983 2.109 1
1 131 . 8 1 1 A 15 15 ARG CB C 15 31.193 28.474 2.719 1
1 134 . 8 1 1 A 15 15 ARG N N 15 118.945 119.021 -0.076 1
1 135 . 8 1 1 A 16 16 GLY H H 16 8.812 7.790 1.022 1
1 136 . 8 1 1 A 16 16 GLY HA2 H 16 4.194 4.178 0.016 1
1 137 . 8 1 1 A 16 16 GLY HA3 H 16 3.824 4.206 -0.382 1
1 138 . 8 1 1 A 16 16 GLY C C 16 173.427 171.895 1.532 1
1 139 . 8 1 1 A 16 16 GLY CA C 16 45.157 45.587 -0.430 1
1 140 . 8 1 1 A 16 16 GLY N N 16 109.133 107.803 1.330 1
1 141 . 8 1 1 A 17 17 VAL H H 17 8.308 8.532 -0.224 1
1 142 . 8 1 1 A 17 17 VAL HA H 17 4.060 4.929 -0.869 1
1 150 . 8 1 1 A 17 17 VAL C C 17 176.469 174.171 2.298 1
1 151 . 8 1 1 A 17 17 VAL CA C 17 62.098 59.544 2.554 1
1 152 . 8 1 1 A 17 17 VAL CB C 17 33.414 35.140 -1.726 1
1 155 . 8 1 1 A 17 17 VAL N N 17 120.815 118.868 1.947 1
1 156 . 8 1 1 A 18 18 ILE H H 18 8.547 8.921 -0.374 1
1 157 . 8 1 1 A 18 18 ILE HA H 18 4.186 4.922 -0.736 1
1 167 . 8 1 1 A 18 18 ILE C C 18 177.208 176.609 0.599 1
1 168 . 8 1 1 A 18 18 ILE CA C 18 63.175 59.881 3.294 1
1 169 . 8 1 1 A 18 18 ILE CB C 18 38.596 40.195 -1.599 1
1 173 . 8 1 1 A 18 18 ILE N N 18 125.006 124.352 0.654 1
1 174 . 8 1 1 A 19 19 ILE H H 19 9.127 8.620 0.507 1
1 175 . 8 1 1 A 19 19 ILE HA H 19 4.461 4.463 -0.002 1
1 185 . 8 1 1 A 19 19 ILE C C 19 176.081 175.915 0.166 1
1 186 . 8 1 1 A 19 19 ILE CA C 19 60.298 61.167 -0.869 1
1 187 . 8 1 1 A 19 19 ILE CB C 19 39.665 39.664 0.001 1
1 191 . 8 1 1 A 19 19 ILE N N 19 124.358 120.560 3.798 1
1 192 . 8 1 1 A 20 20 LYS H H 20 7.620 7.682 -0.062 1
1 193 . 8 1 1 A 20 20 LYS HA H 20 4.325 4.616 -0.291 1
1 202 . 8 1 1 A 20 20 LYS C C 20 172.760 174.188 -1.428 1
1 203 . 8 1 1 A 20 20 LYS CA C 20 57.298 55.608 1.690 1
1 204 . 8 1 1 A 20 20 LYS CB C 20 36.458 35.631 0.827 1
1 208 . 8 1 1 A 20 20 LYS N N 20 121.749 121.528 0.221 1
1 209 . 8 1 1 A 21 21 GLN H H 21 8.572 8.721 -0.149 1
1 210 . 8 1 1 A 21 21 GLN HA H 21 5.927 5.954 -0.027 1
1 217 . 8 1 1 A 21 21 GLN C C 21 175.124 174.245 0.879 1
1 218 . 8 1 1 A 21 21 GLN CA C 21 54.227 54.513 -0.286 1
1 219 . 8 1 1 A 21 21 GLN CB C 21 33.369 32.922 0.447 1
1 221 . 8 1 1 A 21 21 GLN N N 21 121.653 123.008 -1.355 1
1 223 . 8 1 1 A 22 22 GLY H H 22 9.178 8.719 0.459 1
1 224 . 8 1 1 A 22 22 GLY HA2 H 22 4.904 4.388 0.516 1
1 225 . 8 1 1 A 22 22 GLY HA3 H 22 4.447 4.456 -0.009 1
1 226 . 8 1 1 A 22 22 GLY C C 22 172.300 171.851 0.449 1
1 227 . 8 1 1 A 22 22 GLY CA C 22 45.650 46.244 -0.594 1
1 228 . 8 1 1 A 22 22 GLY N N 22 108.544 106.288 2.256 1
1 229 . 8 1 1 A 23 23 CYS H H 23 9.262 8.649 0.613 1
1 230 . 8 1 1 A 23 23 CYS HA H 23 5.904 5.863 0.041 1
1 233 . 8 1 1 A 23 23 CYS C C 23 175.293 173.540 1.753 1
1 234 . 8 1 1 A 23 23 CYS CA C 23 59.222 57.319 1.903 1
1 235 . 8 1 1 A 23 23 CYS CB C 23 29.260 30.369 -1.109 1
1 236 . 8 1 1 A 23 23 CYS N N 23 118.575 121.426 -2.851 1
1 237 . 8 1 1 A 24 24 LEU H H 24 9.131 10.416 -1.285 1
1 238 . 8 1 1 A 24 24 LEU HA H 24 4.627 5.027 -0.400 1
1 248 . 8 1 1 A 24 24 LEU C C 24 175.354 175.506 -0.152 1
1 249 . 8 1 1 A 24 24 LEU CA C 24 53.963 53.762 0.201 1
1 250 . 8 1 1 A 24 24 LEU CB C 24 47.315 45.620 1.695 1
1 254 . 8 1 1 A 24 24 LEU N N 24 122.880 124.330 -1.450 1
1 255 . 8 1 1 A 25 25 LEU H H 25 7.968 9.033 -1.065 1
1 256 . 8 1 1 A 25 25 LEU HA H 25 5.056 5.177 -0.121 1
1 266 . 8 1 1 A 25 25 LEU C C 25 175.766 175.219 0.547 1
1 267 . 8 1 1 A 25 25 LEU CA C 25 54.810 54.186 0.624 1
1 268 . 8 1 1 A 25 25 LEU CB C 25 44.065 42.196 1.869 1
1 272 . 8 1 1 A 25 25 LEU N N 25 119.755 123.335 -3.580 1
1 273 . 8 1 1 A 26 26 LYS H H 26 9.307 8.455 0.852 1
1 274 . 8 1 1 A 26 26 LYS HA H 26 5.166 4.828 0.338 1
1 283 . 8 1 1 A 26 26 LYS C C 26 175.778 175.004 0.774 1
1 284 . 8 1 1 A 26 26 LYS CA C 26 54.687 55.883 -1.196 1
1 285 . 8 1 1 A 26 26 LYS CB C 26 37.033 33.166 3.867 1
1 289 . 8 1 1 A 26 26 LYS N N 26 122.635 126.181 -3.546 1
1 290 . 8 1 1 A 27 27 GLN H H 27 8.228 8.919 -0.691 1
1 291 . 8 1 1 A 27 27 GLN HA H 27 3.839 4.806 -0.967 1
1 298 . 8 1 1 A 27 27 GLN C C 27 176.869 175.467 1.402 1
1 299 . 8 1 1 A 27 27 GLN CA C 27 55.922 54.259 1.663 1
1 300 . 8 1 1 A 27 27 GLN CB C 27 29.589 29.413 0.176 1
1 302 . 8 1 1 A 27 27 GLN N N 27 132.145 127.138 5.007 1
1 304 . 8 1 1 A 28 28 GLY H H 28 8.434 8.417 0.017 1
1 305 . 8 1 1 A 28 28 GLY HA2 H 28 4.144 4.370 -0.226 1
1 306 . 8 1 1 A 28 28 GLY HA3 H 28 3.999 4.393 -0.394 1
1 307 . 8 1 1 A 28 28 GLY CA C 28 45.457 44.891 0.566 1
1 308 . 8 1 1 A 28 28 GLY N N 28 114.691 113.033 1.658 1
1 309 . 8 1 1 A 29 29 HIS HA H 29 4.352 4.052 0.300 1
1 314 . 8 1 1 A 29 29 HIS CA C 29 58.505 59.972 -1.467 1
1 315 . 8 1 1 A 29 29 HIS CB C 29 30.967 30.516 0.451 1
1 318 . 8 1 1 A 30 30 ARG HA H 30 4.114 3.984 0.130 1
1 325 . 8 1 1 A 30 30 ARG CA C 30 56.429 59.492 -3.063 1
1 326 . 8 1 1 A 30 30 ARG CB C 30 29.591 30.296 -0.705 1
1 329 . 8 1 1 A 31 31 ARG HA H 31 3.774 4.454 -0.680 1
1 336 . 8 1 1 A 31 31 ARG C C 31 175.536 176.165 -0.629 1
1 337 . 8 1 1 A 31 31 ARG CA C 31 55.922 54.375 1.547 1
1 338 . 8 1 1 A 31 31 ARG CB C 31 29.302 29.098 0.204 1
1 341 . 8 1 1 A 32 32 LYS H H 32 8.011 8.552 -0.541 1
1 342 . 8 1 1 A 32 32 LYS HA H 32 4.164 3.914 0.250 1
1 351 . 8 1 1 A 32 32 LYS C C 32 175.741 176.536 -0.795 1
1 352 . 8 1 1 A 32 32 LYS CA C 32 56.239 59.283 -3.044 1
1 353 . 8 1 1 A 32 32 LYS CB C 32 32.016 32.673 -0.657 1
1 357 . 8 1 1 A 32 32 LYS N N 32 117.463 125.963 -8.500 1
1 358 . 8 1 1 A 33 33 ASN H H 33 7.870 7.789 0.081 1
1 359 . 8 1 1 A 33 33 ASN HA H 33 4.807 4.936 -0.129 1
1 364 . 8 1 1 A 33 33 ASN C C 33 173.681 174.647 -0.966 1
1 365 . 8 1 1 A 33 33 ASN CA C 33 52.551 51.419 1.132 1
1 366 . 8 1 1 A 33 33 ASN CB C 33 39.830 43.603 -3.773 1
1 367 . 8 1 1 A 33 33 ASN N N 33 117.522 114.719 2.803 1
1 369 . 8 1 1 A 34 34 TRP H H 34 8.704 8.411 0.293 1
1 370 . 8 1 1 A 34 34 TRP HA H 34 4.807 4.585 0.222 1
1 379 . 8 1 1 A 34 34 TRP C C 34 176.129 176.708 -0.579 1
1 380 . 8 1 1 A 34 34 TRP CA C 34 56.540 58.764 -2.224 1
1 381 . 8 1 1 A 34 34 TRP CB C 34 31.399 30.297 1.102 1
1 387 . 8 1 1 A 34 34 TRP N N 34 121.620 121.513 0.107 1
1 389 . 8 1 1 A 35 35 LYS H H 35 8.457 9.056 -0.599 1
1 390 . 8 1 1 A 35 35 LYS HA H 35 4.876 4.836 0.040 1
1 399 . 8 1 1 A 35 35 LYS C C 35 176.081 176.117 -0.036 1
1 400 . 8 1 1 A 35 35 LYS CA C 35 54.298 54.873 -0.575 1
1 401 . 8 1 1 A 35 35 LYS CB C 35 36.498 35.255 1.243 1
1 405 . 8 1 1 A 35 35 LYS N N 35 120.816 123.457 -2.641 1
1 406 . 8 1 1 A 36 36 VAL H H 36 8.974 8.860 0.114 1
1 407 . 8 1 1 A 36 36 VAL HA H 36 4.254 4.217 0.037 1
1 415 . 8 1 1 A 36 36 VAL C C 36 176.808 176.024 0.784 1
1 416 . 8 1 1 A 36 36 VAL CA C 36 63.828 63.632 0.196 1
1 417 . 8 1 1 A 36 36 VAL CB C 36 31.687 32.184 -0.497 1
1 420 . 8 1 1 A 36 36 VAL N N 36 123.825 125.130 -1.305 1
1 421 . 8 1 1 A 37 37 ARG H H 37 9.327 8.998 0.329 1
1 422 . 8 1 1 A 37 37 ARG HA H 37 4.930 4.825 0.105 1
1 427 . 8 1 1 A 37 37 ARG C C 37 173.815 174.420 -0.605 1
1 428 . 8 1 1 A 37 37 ARG CA C 37 54.351 54.865 -0.514 1
1 429 . 8 1 1 A 37 37 ARG CB C 37 34.709 34.690 0.019 1
1 432 . 8 1 1 A 37 37 ARG N N 37 128.926 126.905 2.021 1
1 433 . 8 1 1 A 38 38 LYS H H 38 8.714 8.739 -0.025 1
1 434 . 8 1 1 A 38 38 LYS HA H 38 4.959 5.239 -0.280 1
1 443 . 8 1 1 A 38 38 LYS C C 38 175.075 175.167 -0.092 1
1 444 . 8 1 1 A 38 38 LYS CA C 38 55.869 56.020 -0.151 1
1 445 . 8 1 1 A 38 38 LYS CB C 38 34.072 33.662 0.410 1
1 449 . 8 1 1 A 38 38 LYS N N 38 121.669 123.486 -1.817 1
1 450 . 8 1 1 A 39 39 PHE H H 39 9.751 9.820 -0.069 1
1 451 . 8 1 1 A 39 39 PHE HA H 39 5.591 5.228 0.363 1
1 459 . 8 1 1 A 39 39 PHE C C 39 175.414 174.801 0.613 1
1 460 . 8 1 1 A 39 39 PHE CA C 39 57.474 56.861 0.613 1
1 461 . 8 1 1 A 39 39 PHE CB C 39 42.667 41.496 1.171 1
1 467 . 8 1 1 A 39 39 PHE N N 39 127.216 125.477 1.739 1
1 468 . 8 1 1 A 40 40 ILE H H 40 9.246 10.504 -1.258 1
1 469 . 8 1 1 A 40 40 ILE HA H 40 4.864 5.233 -0.369 1
1 479 . 8 1 1 A 40 40 ILE C C 40 174.724 174.332 0.392 1
1 480 . 8 1 1 A 40 40 ILE CA C 40 62.134 60.086 2.048 1
1 481 . 8 1 1 A 40 40 ILE CB C 40 41.022 40.187 0.835 1
1 485 . 8 1 1 A 40 40 ILE N N 40 119.337 123.797 -4.460 1
1 486 . 8 1 1 A 41 41 LEU H H 41 9.549 9.375 0.174 1
1 487 . 8 1 1 A 41 41 LEU HA H 41 5.485 5.365 0.120 1
1 497 . 8 1 1 A 41 41 LEU C C 41 174.457 175.288 -0.831 1
1 498 . 8 1 1 A 41 41 LEU CA C 41 54.004 53.725 0.279 1
1 499 . 8 1 1 A 41 41 LEU CB C 41 45.299 45.608 -0.309 1
1 503 . 8 1 1 A 41 41 LEU N N 41 132.451 130.972 1.479 1
1 504 . 8 1 1 A 42 42 ARG H H 42 9.383 9.277 0.106 1
1 505 . 8 1 1 A 42 42 ARG HA H 42 5.492 5.137 0.355 1
1 513 . 8 1 1 A 42 42 ARG C C 42 174.893 175.278 -0.385 1
1 514 . 8 1 1 A 42 42 ARG CA C 42 54.421 54.592 -0.171 1
1 515 . 8 1 1 A 42 42 ARG CB C 42 35.470 33.750 1.720 1
1 518 . 8 1 1 A 42 42 ARG N N 42 128.467 124.433 4.034 1
1 520 . 8 1 1 A 43 43 GLU H H 43 8.259 8.629 -0.370 1
1 521 . 8 1 1 A 43 43 GLU HA H 43 4.366 4.776 -0.410 1
1 526 . 8 1 1 A 43 43 GLU C C 43 174.893 175.929 -1.036 1
1 527 . 8 1 1 A 43 43 GLU CA C 43 54.898 55.626 -0.728 1
1 528 . 8 1 1 A 43 43 GLU CB C 43 33.102 30.977 2.125 1
1 530 . 8 1 1 A 43 43 GLU N N 43 115.434 120.622 -5.188 1
1 531 . 8 1 1 A 44 44 ASP H H 44 7.870 9.041 -1.171 1
1 532 . 8 1 1 A 44 44 ASP HA H 44 4.433 4.260 0.173 1
1 535 . 8 1 1 A 44 44 ASP C C 44 172.991 174.294 -1.303 1
1 536 . 8 1 1 A 44 44 ASP CA C 44 53.892 54.943 -1.051 1
1 537 . 8 1 1 A 44 44 ASP CB C 44 41.146 39.593 1.553 1
1 538 . 8 1 1 A 44 44 ASP N N 44 114.444 120.320 -5.876 1
1 539 . 8 1 1 A 45 45 PRO HA H 45 4.710 4.561 0.149 1
1 546 . 8 1 1 A 45 45 PRO C C 45 176.747 175.811 0.936 1
1 547 . 8 1 1 A 45 45 PRO CA C 45 63.246 62.617 0.629 1
1 548 . 8 1 1 A 45 45 PRO CB C 45 34.977 32.605 2.372 1
1 551 . 8 1 1 A 46 46 ALA H H 46 8.356 8.198 0.158 1
1 552 . 8 1 1 A 46 46 ALA HA H 46 5.049 4.734 0.315 1
1 556 . 8 1 1 A 46 46 ALA C C 46 175.499 176.071 -0.572 1
1 557 . 8 1 1 A 46 46 ALA CA C 46 51.545 50.926 0.619 1
1 558 . 8 1 1 A 46 46 ALA CB C 46 19.655 19.259 0.396 1
1 559 . 8 1 1 A 46 46 ALA N N 46 122.969 123.611 -0.642 1
1 560 . 8 1 1 A 47 47 TYR H H 47 8.047 9.233 -1.186 1
1 561 . 8 1 1 A 47 47 TYR HA H 47 5.097 5.014 0.083 1
1 568 . 8 1 1 A 47 47 TYR C C 47 173.730 174.363 -0.633 1
1 569 . 8 1 1 A 47 47 TYR CA C 47 57.563 56.372 1.191 1
1 570 . 8 1 1 A 47 47 TYR CB C 47 45.711 43.156 2.555 1
1 575 . 8 1 1 A 47 47 TYR N N 47 126.550 120.828 5.722 1
1 576 . 8 1 1 A 48 48 LEU H H 48 8.776 8.781 -0.005 1
1 577 . 8 1 1 A 48 48 LEU HA H 48 5.578 5.281 0.297 1
1 587 . 8 1 1 A 48 48 LEU C C 48 175.039 174.525 0.514 1
1 588 . 8 1 1 A 48 48 LEU CA C 48 53.134 53.908 -0.774 1
1 589 . 8 1 1 A 48 48 LEU CB C 48 46.369 45.126 1.243 1
1 593 . 8 1 1 A 48 48 LEU N N 48 120.864 122.778 -1.914 1
1 594 . 8 1 1 A 49 49 HIS H H 49 8.974 9.487 -0.513 1
1 595 . 8 1 1 A 49 49 HIS HA H 49 5.181 5.091 0.090 1
1 600 . 8 1 1 A 49 49 HIS C C 49 174.712 174.357 0.355 1
1 601 . 8 1 1 A 49 49 HIS CA C 49 57.916 54.446 3.470 1
1 602 . 8 1 1 A 49 49 HIS CB C 49 35.347 31.572 3.775 1
1 605 . 8 1 1 A 49 49 HIS N N 49 124.417 126.497 -2.080 1
1 606 . 8 1 1 A 50 50 TYR H H 50 7.348 8.373 -1.025 1
1 607 . 8 1 1 A 50 50 TYR HA H 50 5.909 5.824 0.085 1
1 614 . 8 1 1 A 50 50 TYR C C 50 174.239 173.651 0.588 1
1 615 . 8 1 1 A 50 50 TYR CA C 50 53.610 54.928 -1.318 1
1 616 . 8 1 1 A 50 50 TYR CB C 50 40.077 40.599 -0.522 1
1 621 . 8 1 1 A 50 50 TYR N N 50 114.323 120.389 -6.066 1
1 622 . 8 1 1 A 51 51 TYR H H 51 9.230 9.293 -0.063 1
1 623 . 8 1 1 A 51 51 TYR HA H 51 4.555 4.884 -0.329 1
1 630 . 8 1 1 A 51 51 TYR C C 51 175.572 174.795 0.777 1
1 631 . 8 1 1 A 51 51 TYR CA C 51 57.175 56.984 0.191 1
1 632 . 8 1 1 A 51 51 TYR CB C 51 42.709 42.258 0.451 1
1 637 . 8 1 1 A 51 51 TYR N N 51 117.695 121.473 -3.778 1
1 638 . 8 1 1 A 52 52 ASP H H 52 9.390 8.729 0.661 1
1 639 . 8 1 1 A 52 52 ASP HA H 52 4.937 4.950 -0.013 1
1 642 . 8 1 1 A 52 52 ASP CA C 52 52.057 51.872 0.185 1
1 643 . 8 1 1 A 52 52 ASP CB C 52 42.197 42.197 0.000 1
1 644 . 8 1 1 A 52 52 ASP N N 52 123.964 122.224 1.740 1
1 645 . 8 1 1 A 53 53 PRO HA H 53 4.274 4.403 -0.129 1
1 652 . 8 1 1 A 53 53 PRO C C 53 176.360 178.285 -1.925 1
1 653 . 8 1 1 A 53 53 PRO CA C 53 64.728 65.148 -0.420 1
1 654 . 8 1 1 A 53 53 PRO CB C 53 32.016 32.072 -0.056 1
1 657 . 8 1 1 A 54 54 ALA H H 54 8.384 8.174 0.210 1
1 658 . 8 1 1 A 54 54 ALA HA H 54 4.492 4.127 0.365 1
1 662 . 8 1 1 A 54 54 ALA C C 54 177.620 177.605 0.015 1
1 663 . 8 1 1 A 54 54 ALA CA C 54 52.022 53.765 -1.743 1
1 664 . 8 1 1 A 54 54 ALA CB C 54 19.202 19.573 -0.371 1
1 665 . 8 1 1 A 54 54 ALA N N 54 120.140 119.182 0.958 1
1 666 . 8 1 1 A 55 55 GLY H H 55 7.710 7.386 0.324 1
1 667 . 8 1 1 A 55 55 GLY HA2 H 55 4.194 4.016 0.178 1
1 668 . 8 1 1 A 55 55 GLY HA3 H 55 3.833 4.018 -0.185 1
1 669 . 8 1 1 A 55 55 GLY C C 55 173.524 171.442 2.082 1
1 670 . 8 1 1 A 55 55 GLY CA C 55 45.421 45.127 0.294 1
1 671 . 8 1 1 A 55 55 GLY N N 55 107.828 103.299 4.529 1
1 672 . 8 1 1 A 56 56 ALA H H 56 8.339 8.206 0.133 1
1 673 . 8 1 1 A 56 56 ALA HA H 56 4.378 4.756 -0.378 1
1 677 . 8 1 1 A 56 56 ALA C C 56 177.741 175.912 1.829 1
1 678 . 8 1 1 A 56 56 ALA CA C 56 52.410 51.353 1.057 1
1 679 . 8 1 1 A 56 56 ALA CB C 56 19.843 22.654 -2.811 1
1 680 . 8 1 1 A 56 56 ALA N N 56 125.269 121.553 3.716 1
1 681 . 8 1 1 A 57 57 GLU H H 57 8.567 8.715 -0.148 1
1 682 . 8 1 1 A 57 57 GLU HA H 57 4.160 4.546 -0.386 1
1 687 . 8 1 1 A 57 57 GLU C C 57 176.335 176.169 0.166 1
1 688 . 8 1 1 A 57 57 GLU CA C 57 57.616 57.564 0.052 1
1 689 . 8 1 1 A 57 57 GLU CB C 57 30.083 31.483 -1.400 1
1 691 . 8 1 1 A 57 57 GLU N N 57 119.341 118.331 1.010 1
1 692 . 8 1 1 A 58 58 ASP H H 58 7.718 7.954 -0.236 1
1 693 . 8 1 1 A 58 58 ASP HA H 58 5.010 4.898 0.112 1
1 696 . 8 1 1 A 58 58 ASP C C 58 173.209 174.397 -1.188 1
1 697 . 8 1 1 A 58 58 ASP CA C 58 52.128 52.304 -0.176 1
1 698 . 8 1 1 A 58 58 ASP CB C 58 40.981 39.872 1.109 1
1 699 . 8 1 1 A 58 58 ASP N N 58 118.499 118.496 0.003 1
1 700 . 8 1 1 A 59 59 PRO HA H 59 3.493 4.186 -0.693 1
1 707 . 8 1 1 A 59 59 PRO C C 59 177.111 177.701 -0.590 1
1 708 . 8 1 1 A 59 59 PRO CA C 59 63.069 62.427 0.642 1
1 709 . 8 1 1 A 59 59 PRO CB C 59 31.229 31.445 -0.216 1
1 712 . 8 1 1 A 60 60 LEU H H 60 8.770 8.196 0.574 1
1 713 . 8 1 1 A 60 60 LEU HA H 60 4.114 3.786 0.328 1
1 723 . 8 1 1 A 60 60 LEU C C 60 177.268 176.459 0.809 1
1 724 . 8 1 1 A 60 60 LEU CA C 60 55.181 56.703 -1.522 1
1 725 . 8 1 1 A 60 60 LEU CB C 60 42.750 41.869 0.881 1
1 729 . 8 1 1 A 60 60 LEU N N 60 121.907 122.155 -0.248 1
1 730 . 8 1 1 A 61 61 GLY H H 61 6.472 6.665 -0.193 1
1 731 . 8 1 1 A 61 61 GLY HA2 H 61 3.798 3.961 -0.163 1
1 732 . 8 1 1 A 61 61 GLY HA3 H 61 3.382 3.988 -0.606 1
1 733 . 8 1 1 A 61 61 GLY C C 61 169.367 170.682 -1.315 1
1 734 . 8 1 1 A 61 61 GLY CA C 61 45.033 45.551 -0.518 1
1 735 . 8 1 1 A 61 61 GLY N N 61 103.740 103.917 -0.177 1
1 736 . 8 1 1 A 62 62 ALA H H 62 8.024 8.594 -0.570 1
1 737 . 8 1 1 A 62 62 ALA HA H 62 4.644 5.166 -0.522 1
1 741 . 8 1 1 A 62 62 ALA C C 62 176.226 175.941 0.285 1
1 742 . 8 1 1 A 62 62 ALA CA C 62 50.839 50.969 -0.130 1
1 743 . 8 1 1 A 62 62 ALA CB C 62 23.914 23.115 0.799 1
1 744 . 8 1 1 A 62 62 ALA N N 62 120.249 121.791 -1.542 1
1 745 . 8 1 1 A 63 63 ILE H H 63 8.810 8.754 0.056 1
1 746 . 8 1 1 A 63 63 ILE HA H 63 4.119 4.753 -0.634 1
1 756 . 8 1 1 A 63 63 ILE C C 63 174.724 176.083 -1.359 1
1 757 . 8 1 1 A 63 63 ILE CA C 63 60.757 60.369 0.388 1
1 758 . 8 1 1 A 63 63 ILE CB C 63 40.319 39.625 0.694 1
1 762 . 8 1 1 A 63 63 ILE N N 63 122.110 119.911 2.199 1
1 763 . 8 1 1 A 64 64 HIS H H 64 9.073 9.114 -0.041 1
1 764 . 8 1 1 A 64 64 HIS HA H 64 3.948 4.447 -0.499 1
1 769 . 8 1 1 A 64 64 HIS C C 64 176.529 175.228 1.301 1
1 770 . 8 1 1 A 64 64 HIS CA C 64 54.951 57.782 -2.831 1
1 771 . 8 1 1 A 64 64 HIS CB C 64 30.494 30.628 -0.134 1
1 774 . 8 1 1 A 64 64 HIS N N 64 129.092 128.146 0.946 1
1 775 . 8 1 1 A 65 65 LEU H H 65 7.770 7.550 0.220 1
1 776 . 8 1 1 A 65 65 LEU HA H 65 4.074 4.314 -0.240 1
1 786 . 8 1 1 A 65 65 LEU C C 65 176.808 177.228 -0.420 1
1 787 . 8 1 1 A 65 65 LEU CA C 65 54.951 54.437 0.514 1
1 788 . 8 1 1 A 65 65 LEU CB C 65 42.667 42.710 -0.043 1
1 792 . 8 1 1 A 65 65 LEU N N 65 124.760 127.949 -3.189 1
1 793 . 8 1 1 A 66 66 ARG H H 66 6.515 7.433 -0.918 1
1 794 . 8 1 1 A 66 66 ARG HA H 66 4.085 3.759 0.326 1
1 801 . 8 1 1 A 66 66 ARG C C 66 178.638 177.550 1.088 1
1 802 . 8 1 1 A 66 66 ARG CA C 66 58.092 59.239 -1.147 1
1 803 . 8 1 1 A 66 66 ARG CB C 66 29.525 29.641 -0.116 1
1 806 . 8 1 1 A 66 66 ARG N N 66 120.462 119.892 0.570 1
1 807 . 8 1 1 A 67 67 GLY H H 67 9.300 7.861 1.439 1
1 808 . 8 1 1 A 67 67 GLY HA2 H 67 4.045 3.980 0.065 1
1 809 . 8 1 1 A 67 67 GLY HA3 H 67 3.826 4.032 -0.206 1
1 810 . 8 1 1 A 67 67 GLY C C 67 173.996 174.051 -0.055 1
1 811 . 8 1 1 A 67 67 GLY CA C 67 46.162 45.977 0.185 1
1 812 . 8 1 1 A 67 67 GLY N N 67 118.040 106.084 11.956 1
1 813 . 8 1 1 A 68 68 CYS H H 68 7.789 7.663 0.126 1
1 814 . 8 1 1 A 68 68 CYS HA H 68 4.779 4.877 -0.098 1
1 817 . 8 1 1 A 68 68 CYS C C 68 173.148 173.543 -0.395 1
1 818 . 8 1 1 A 68 68 CYS CA C 68 57.545 57.466 0.079 1
1 819 . 8 1 1 A 68 68 CYS CB C 68 28.644 30.108 -1.464 1
1 820 . 8 1 1 A 68 68 CYS N N 68 116.032 117.827 -1.795 1
1 821 . 8 1 1 A 69 69 VAL H H 69 8.665 9.652 -0.987 1
1 822 . 8 1 1 A 69 69 VAL HA H 69 4.364 4.837 -0.473 1
1 830 . 8 1 1 A 69 69 VAL C C 69 174.154 174.631 -0.477 1
1 831 . 8 1 1 A 69 69 VAL CA C 69 61.464 60.604 0.860 1
1 832 . 8 1 1 A 69 69 VAL CB C 69 35.041 35.959 -0.918 1
1 835 . 8 1 1 A 69 69 VAL N N 69 120.327 120.420 -0.093 1
1 836 . 8 1 1 A 70 70 VAL H H 70 8.656 8.659 -0.003 1
1 837 . 8 1 1 A 70 70 VAL HA H 70 5.543 4.862 0.681 1
1 845 . 8 1 1 A 70 70 VAL C C 70 174.105 175.309 -1.204 1
1 846 . 8 1 1 A 70 70 VAL CA C 70 59.028 61.126 -2.098 1
1 847 . 8 1 1 A 70 70 VAL CB C 70 34.237 33.505 0.732 1
1 850 . 8 1 1 A 70 70 VAL N N 70 124.719 126.259 -1.540 1
1 851 . 8 1 1 A 71 71 THR H H 71 8.883 8.598 0.285 1
1 852 . 8 1 1 A 71 71 THR HA H 71 4.724 4.716 0.008 1
1 857 . 8 1 1 A 71 71 THR C C 71 173.087 172.322 0.765 1
1 858 . 8 1 1 A 71 71 THR CA C 71 59.875 60.963 -1.088 1
1 859 . 8 1 1 A 71 71 THR CB C 71 71.290 70.239 1.051 1
1 861 . 8 1 1 A 71 71 THR N N 71 120.107 120.548 -0.441 1
1 862 . 8 1 1 A 72 72 SER H H 72 8.706 8.827 -0.121 1
1 863 . 8 1 1 A 72 72 SER HA H 72 4.455 5.361 -0.906 1
1 866 . 8 1 1 A 72 72 SER C C 72 174.082 174.290 -0.208 1
1 867 . 8 1 1 A 72 72 SER CA C 72 59.204 57.256 1.948 1
1 868 . 8 1 1 A 72 72 SER CB C 72 63.476 64.899 -1.423 1
1 869 . 8 1 1 A 72 72 SER N N 72 120.128 117.688 2.440 1
1 870 . 8 1 1 A 73 73 VAL H H 73 7.825 8.714 -0.889 1
1 871 . 8 1 1 A 73 73 VAL HA H 73 4.302 4.391 -0.089 1
1 879 . 8 1 1 A 73 73 VAL C C 73 175.160 176.595 -1.435 1
1 880 . 8 1 1 A 73 73 VAL CA C 73 62.010 62.176 -0.166 1
1 881 . 8 1 1 A 73 73 VAL CB C 73 33.579 33.336 0.243 1
1 884 . 8 1 1 A 73 73 VAL N N 73 125.377 122.048 3.329 1
1 885 . 8 1 1 A 74 74 GLU H H 74 8.706 8.735 -0.029 1
1 886 . 8 1 1 A 74 74 GLU HA H 74 4.544 4.486 0.058 1
1 891 . 8 1 1 A 74 74 GLU C C 74 176.420 176.576 -0.156 1
1 892 . 8 1 1 A 74 74 GLU CA C 74 55.622 58.529 -2.907 1
1 893 . 8 1 1 A 74 74 GLU CB C 74 30.741 30.845 -0.104 1
1 895 . 8 1 1 A 74 74 GLU N N 74 126.564 122.845 3.719 1
1 896 . 8 1 1 A 75 75 SER H H 75 8.639 8.155 0.484 1
1 897 . 8 1 1 A 75 75 SER HA H 75 4.447 4.193 0.254 1
1 900 . 8 1 1 A 75 75 SER C C 75 174.299 173.369 0.930 1
1 901 . 8 1 1 A 75 75 SER CA C 75 58.339 58.973 -0.634 1
1 902 . 8 1 1 A 75 75 SER CB C 75 64.170 60.702 3.468 1
1 903 . 8 1 1 A 75 75 SER N N 75 117.961 113.818 4.143 1
1 904 . 8 1 1 A 76 76 ASN H H 76 8.672 7.947 0.725 1
1 905 . 8 1 1 A 76 76 ASN HA H 76 4.795 5.216 -0.421 1
1 910 . 8 1 1 A 76 76 ASN C C 76 175.584 173.707 1.877 1
1 911 . 8 1 1 A 76 76 ASN CA C 76 53.292 52.558 0.734 1
1 912 . 8 1 1 A 76 76 ASN CB C 76 39.089 41.653 -2.564 1
1 913 . 8 1 1 A 76 76 ASN N N 76 121.138 121.113 0.025 1
1 915 . 8 1 1 A 78 78 ASN HA H 78 4.635 5.166 -0.531 1
1 920 . 8 1 1 A 78 78 ASN C C 78 175.681 174.559 1.122 1
1 921 . 8 1 1 A 78 78 ASN CA C 78 53.610 52.316 1.294 1
1 922 . 8 1 1 A 78 78 ASN CB C 78 38.496 41.845 -3.349 1
1 924 . 8 1 1 A 79 79 GLY H H 79 8.356 8.970 -0.614 1
1 925 . 8 1 1 A 79 79 GLY HA2 H 79 3.821 3.883 -0.062 1
1 926 . 8 1 1 A 79 79 GLY HA3 H 79 4.011 3.883 0.128 1
1 927 . 8 1 1 A 79 79 GLY C C 79 174.154 174.107 0.047 1
1 928 . 8 1 1 A 79 79 GLY CA C 79 45.563 47.287 -1.724 1
1 929 . 8 1 1 A 79 79 GLY N N 79 108.284 113.294 -5.010 1
1 930 . 8 1 1 A 80 80 ARG H H 80 7.919 8.866 -0.947 1
1 931 . 8 1 1 A 80 80 ARG HA H 80 4.344 4.533 -0.189 1
1 938 . 8 1 1 A 80 80 ARG C C 80 176.117 175.990 0.127 1
1 939 . 8 1 1 A 80 80 ARG CA C 80 55.905 57.373 -1.468 1
1 940 . 8 1 1 A 80 80 ARG CB C 80 30.782 32.543 -1.761 1
1 943 . 8 1 1 A 80 80 ARG N N 80 120.470 120.894 -0.424 1
1 944 . 8 1 1 A 81 81 LYS H H 81 8.427 7.864 0.563 1
1 945 . 8 1 1 A 81 81 LYS HA H 81 4.350 4.245 0.105 1
1 954 . 8 1 1 A 81 81 LYS C C 81 176.808 175.869 0.939 1
1 955 . 8 1 1 A 81 81 LYS CA C 81 56.416 56.504 -0.088 1
1 956 . 8 1 1 A 81 81 LYS CB C 81 32.797 33.653 -0.856 1
1 960 . 8 1 1 A 81 81 LYS N N 81 122.963 120.211 2.752 1
1 961 . 8 1 1 A 82 82 SER H H 82 8.440 8.965 -0.525 1
1 962 . 8 1 1 A 82 82 SER HA H 82 4.380 4.597 -0.217 1
1 965 . 8 1 1 A 82 82 SER C C 82 174.833 174.508 0.325 1
1 966 . 8 1 1 A 82 82 SER CA C 82 58.763 60.039 -1.276 1
1 967 . 8 1 1 A 82 82 SER CB C 82 63.723 65.044 -1.321 1
1 968 . 8 1 1 A 82 82 SER N N 82 118.053 119.230 -1.177 1
1 969 . 8 1 1 A 83 83 GLU H H 83 8.648 7.999 0.649 1
1 970 . 8 1 1 A 83 83 GLU HA H 83 4.233 3.967 0.266 1
1 975 . 8 1 1 A 83 83 GLU C C 83 176.311 175.326 0.985 1
1 976 . 8 1 1 A 83 83 GLU CA C 83 57.104 59.151 -2.047 1
1 977 . 8 1 1 A 83 83 GLU CB C 83 29.795 28.172 1.623 1
1 979 . 8 1 1 A 83 83 GLU N N 83 121.793 119.556 2.237 1
1 980 . 8 1 1 A 84 84 GLU H H 84 8.088 8.599 -0.511 1
1 981 . 8 1 1 A 84 84 GLU HA H 84 4.161 4.612 -0.451 1
1 986 . 8 1 1 A 84 84 GLU C C 84 175.523 175.660 -0.137 1
1 987 . 8 1 1 A 84 84 GLU CA C 84 56.275 55.202 1.073 1
1 988 . 8 1 1 A 84 84 GLU CB C 84 30.165 32.721 -2.556 1
1 990 . 8 1 1 A 84 84 GLU N N 84 119.385 118.601 0.784 1
1 991 . 8 1 1 A 85 85 GLU H H 85 7.907 8.289 -0.382 1
1 992 . 8 1 1 A 85 85 GLU HA H 85 4.350 4.477 -0.127 1
1 997 . 8 1 1 A 85 85 GLU C C 85 175.002 176.079 -1.077 1
1 998 . 8 1 1 A 85 85 GLU CA C 85 55.569 55.943 -0.374 1
1 999 . 8 1 1 A 85 85 GLU CB C 85 32.098 30.797 1.301 1
1 1001 . 8 1 1 A 85 85 GLU N N 85 120.414 122.509 -2.095 1
1 1002 . 8 1 1 A 86 86 ASN H H 86 8.569 8.614 -0.045 1
1 1003 . 8 1 1 A 86 86 ASN HA H 86 4.225 5.021 -0.796 1
1 1008 . 8 1 1 A 86 86 ASN C C 86 175.147 174.341 0.806 1
1 1009 . 8 1 1 A 86 86 ASN CA C 86 54.068 53.037 1.031 1
1 1010 . 8 1 1 A 86 86 ASN CB C 86 38.185 39.006 -0.821 1
1 1011 . 8 1 1 A 86 86 ASN N N 86 114.602 119.051 -4.449 1
1 1013 . 8 1 1 A 87 87 LEU H H 87 8.483 9.107 -0.624 1
1 1014 . 8 1 1 A 87 87 LEU HA H 87 5.186 5.263 -0.077 1
1 1024 . 8 1 1 A 87 87 LEU C C 87 178.480 175.851 2.629 1
1 1025 . 8 1 1 A 87 87 LEU CA C 87 55.128 53.106 2.022 1
1 1026 . 8 1 1 A 87 87 LEU CB C 87 44.559 45.993 -1.434 1
1 1030 . 8 1 1 A 87 87 LEU N N 87 121.334 124.959 -3.625 1
1 1031 . 8 1 1 A 88 88 PHE H H 88 9.512 8.049 1.463 1
1 1032 . 8 1 1 A 88 88 PHE HA H 88 5.156 5.272 -0.116 1
1 1040 . 8 1 1 A 88 88 PHE C C 88 170.288 172.083 -1.795 1
1 1041 . 8 1 1 A 88 88 PHE CA C 88 56.787 55.494 1.293 1
1 1042 . 8 1 1 A 88 88 PHE CB C 88 41.763 42.005 -0.242 1
1 1048 . 8 1 1 A 88 88 PHE N N 88 119.324 117.878 1.446 1
1 1049 . 8 1 1 A 89 89 GLU H H 89 9.028 8.853 0.175 1
1 1050 . 8 1 1 A 89 89 GLU HA H 89 5.293 5.124 0.169 1
1 1055 . 8 1 1 A 89 89 GLU C C 89 175.245 175.147 0.098 1
1 1056 . 8 1 1 A 89 89 GLU CA C 89 53.433 55.271 -1.838 1
1 1057 . 8 1 1 A 89 89 GLU CB C 89 34.566 32.041 2.525 1
1 1059 . 8 1 1 A 89 89 GLU N N 89 121.829 120.592 1.237 1
1 1060 . 8 1 1 A 90 90 ILE H H 90 8.655 8.447 0.208 1
1 1061 . 8 1 1 A 90 90 ILE HA H 90 4.793 4.771 0.022 1
1 1071 . 8 1 1 A 90 90 ILE C C 90 174.808 174.788 0.020 1
1 1072 . 8 1 1 A 90 90 ILE CA C 90 59.857 59.959 -0.102 1
1 1073 . 8 1 1 A 90 90 ILE CB C 90 41.886 40.205 1.681 1
1 1077 . 8 1 1 A 90 90 ILE N N 90 123.446 126.109 -2.663 1
1 1078 . 8 1 1 A 91 91 ILE H H 91 9.199 9.009 0.190 1
1 1079 . 8 1 1 A 91 91 ILE HA H 91 4.724 4.795 -0.071 1
1 1089 . 8 1 1 A 91 91 ILE C C 91 177.898 175.980 1.918 1
1 1090 . 8 1 1 A 91 91 ILE CA C 91 60.211 60.455 -0.244 1
1 1091 . 8 1 1 A 91 91 ILE CB C 91 39.043 38.574 0.469 1
1 1095 . 8 1 1 A 91 91 ILE N N 91 126.827 129.030 -2.203 1
1 1096 . 8 1 1 A 92 92 THR H H 92 9.086 8.015 1.071 1
1 1097 . 8 1 1 A 92 92 THR HA H 92 4.314 4.837 -0.523 1
1 1102 . 8 1 1 A 92 92 THR C C 92 176.857 175.178 1.679 1
1 1103 . 8 1 1 A 92 92 THR CA C 92 61.693 59.996 1.697 1
1 1104 . 8 1 1 A 92 92 THR CB C 92 70.920 71.588 -0.668 1
1 1106 . 8 1 1 A 92 92 THR N N 92 117.131 116.680 0.451 1
1 1107 . 8 1 1 A 93 93 ALA H H 93 9.192 9.026 0.166 1
1 1108 . 8 1 1 A 93 93 ALA HA H 93 4.101 4.336 -0.235 1
1 1112 . 8 1 1 A 93 93 ALA C C 93 178.008 177.448 0.560 1
1 1113 . 8 1 1 A 93 93 ALA CA C 93 54.634 53.946 0.688 1
1 1114 . 8 1 1 A 93 93 ALA CB C 93 18.198 18.762 -0.564 1
1 1115 . 8 1 1 A 93 93 ALA N N 93 123.540 124.068 -0.528 1
1 1116 . 8 1 1 A 94 94 ASP H H 94 7.979 7.595 0.384 1
1 1117 . 8 1 1 A 94 94 ASP HA H 94 4.724 4.704 0.020 1
1 1120 . 8 1 1 A 94 94 ASP C C 94 174.324 175.624 -1.300 1
1 1121 . 8 1 1 A 94 94 ASP CA C 94 53.098 53.705 -0.607 1
1 1122 . 8 1 1 A 94 94 ASP CB C 94 39.336 41.419 -2.083 1
1 1123 . 8 1 1 A 94 94 ASP N N 94 113.209 117.025 -3.816 1
1 1124 . 8 1 1 A 95 95 GLU H H 95 8.152 8.236 -0.084 1
1 1125 . 8 1 1 A 95 95 GLU HA H 95 3.430 3.806 -0.376 1
1 1130 . 8 1 1 A 95 95 GLU C C 95 174.578 175.464 -0.886 1
1 1131 . 8 1 1 A 95 95 GLU CA C 95 57.687 57.983 -0.296 1
1 1132 . 8 1 1 A 95 95 GLU CB C 95 26.300 27.501 -1.201 1
1 1134 . 8 1 1 A 95 95 GLU N N 95 114.010 115.387 -1.377 1
1 1135 . 8 1 1 A 96 96 VAL H H 96 7.595 7.209 0.386 1
1 1136 . 8 1 1 A 96 96 VAL HA H 96 4.063 3.858 0.205 1
1 1144 . 8 1 1 A 96 96 VAL C C 96 175.293 174.934 0.359 1
1 1145 . 8 1 1 A 96 96 VAL CA C 96 62.751 62.943 -0.192 1
1 1146 . 8 1 1 A 96 96 VAL CB C 96 31.440 31.386 0.054 1
1 1149 . 8 1 1 A 96 96 VAL N N 96 120.925 120.423 0.502 1
1 1150 . 8 1 1 A 97 97 HIS H H 97 8.603 9.040 -0.437 1
1 1151 . 8 1 1 A 97 97 HIS HA H 97 5.234 5.022 0.212 1
1 1156 . 8 1 1 A 97 97 HIS C C 97 174.348 173.441 0.907 1
1 1157 . 8 1 1 A 97 97 HIS CA C 97 54.404 53.981 0.423 1
1 1158 . 8 1 1 A 97 97 HIS CB C 97 30.536 32.103 -1.567 1
1 1161 . 8 1 1 A 97 97 HIS N N 97 124.160 126.727 -2.567 1
1 1162 . 8 1 1 A 98 98 TYR H H 98 9.267 8.673 0.594 1
1 1163 . 8 1 1 A 98 98 TYR HA H 98 4.532 4.733 -0.201 1
1 1170 . 8 1 1 A 98 98 TYR C C 98 173.621 174.423 -0.802 1
1 1171 . 8 1 1 A 98 98 TYR CA C 98 57.122 56.440 0.682 1
1 1172 . 8 1 1 A 98 98 TYR CB C 98 41.228 42.192 -0.964 1
1 1177 . 8 1 1 A 98 98 TYR N N 98 121.543 119.849 1.694 1
1 1178 . 8 1 1 A 99 99 PHE H H 99 8.861 9.036 -0.175 1
1 1179 . 8 1 1 A 99 99 PHE HA H 99 4.983 5.156 -0.173 1
1 1186 . 8 1 1 A 99 99 PHE C C 99 173.754 174.711 -0.957 1
1 1187 . 8 1 1 A 99 99 PHE CA C 99 57.705 56.804 0.901 1
1 1188 . 8 1 1 A 99 99 PHE CB C 99 41.516 39.776 1.740 1
1 1193 . 8 1 1 A 99 99 PHE N N 99 121.699 122.567 -0.868 1
1 1194 . 8 1 1 A 100 100 LEU H H 100 8.529 8.204 0.325 1
1 1195 . 8 1 1 A 100 100 LEU HA H 100 5.345 5.328 0.017 1
1 1205 . 8 1 1 A 100 100 LEU C C 100 174.942 174.562 0.380 1
1 1206 . 8 1 1 A 100 100 LEU CA C 100 52.781 52.730 0.051 1
1 1207 . 8 1 1 A 100 100 LEU CB C 100 44.518 43.402 1.116 1
1 1211 . 8 1 1 A 100 100 LEU N N 100 123.519 124.519 -1.000 1
1 1212 . 8 1 1 A 101 101 GLN H H 101 8.717 8.685 0.032 1
1 1213 . 8 1 1 A 101 101 GLN HA H 101 4.886 4.650 0.236 1
1 1220 . 8 1 1 A 101 101 GLN C C 101 175.390 174.630 0.760 1
1 1221 . 8 1 1 A 101 101 GLN CA C 101 54.934 54.318 0.616 1
1 1222 . 8 1 1 A 101 101 GLN CB C 101 32.222 30.029 2.193 1
1 1224 . 8 1 1 A 101 101 GLN N N 101 117.786 124.733 -6.947 1
1 1226 . 8 1 1 A 102 102 ALA H H 102 8.256 9.122 -0.866 1
1 1227 . 8 1 1 A 102 102 ALA HA H 102 4.862 4.986 -0.124 1
1 1231 . 8 1 1 A 102 102 ALA C C 102 176.008 178.049 -2.041 1
1 1232 . 8 1 1 A 102 102 ALA CA C 102 50.098 50.978 -0.880 1
1 1233 . 8 1 1 A 102 102 ALA CB C 102 21.606 20.818 0.788 1
1 1234 . 8 1 1 A 102 102 ALA N N 102 128.068 129.352 -1.284 1
1 1235 . 8 1 1 A 103 103 ALA H H 103 9.255 8.825 0.430 1
1 1236 . 8 1 1 A 103 103 ALA HA H 103 4.247 4.075 0.172 1
1 1240 . 8 1 1 A 103 103 ALA C C 103 178.153 177.838 0.315 1
1 1241 . 8 1 1 A 103 103 ALA CA C 103 54.369 56.022 -1.653 1
1 1242 . 8 1 1 A 103 103 ALA CB C 103 20.377 18.669 1.708 1
1 1243 . 8 1 1 A 103 103 ALA N N 103 120.410 125.995 -5.585 1
1 1244 . 8 1 1 A 104 104 THR H H 104 7.149 7.874 -0.725 1
1 1245 . 8 1 1 A 104 104 THR HA H 104 4.846 4.652 0.194 1
1 1250 . 8 1 1 A 104 104 THR C C 104 173.354 174.343 -0.989 1
1 1251 . 8 1 1 A 104 104 THR CA C 104 57.810 59.672 -1.862 1
1 1252 . 8 1 1 A 104 104 THR CB C 104 71.496 69.998 1.498 1
1 1254 . 8 1 1 A 104 104 THR N N 104 103.106 109.061 -5.955 1
1 1255 . 8 1 1 A 105 105 PRO HA H 105 4.225 4.611 -0.386 1
1 1262 . 8 1 1 A 105 105 PRO C C 105 179.704 178.167 1.537 1
1 1263 . 8 1 1 A 105 105 PRO CA C 105 65.046 64.252 0.794 1
1 1264 . 8 1 1 A 105 105 PRO CB C 105 31.775 31.856 -0.081 1
1 1267 . 8 1 1 A 106 106 LYS H H 106 7.764 7.948 -0.184 1
1 1268 . 8 1 1 A 106 106 LYS HA H 106 4.036 4.066 -0.030 1
1 1277 . 8 1 1 A 106 106 LYS C C 106 177.959 178.603 -0.644 1
1 1278 . 8 1 1 A 106 106 LYS CA C 106 59.452 59.380 0.072 1
1 1279 . 8 1 1 A 106 106 LYS CB C 106 32.797 32.068 0.729 1
1 1283 . 8 1 1 A 106 106 LYS N N 106 119.261 118.671 0.590 1
1 1284 . 8 1 1 A 107 107 GLU H H 107 8.005 8.202 -0.197 1
1 1285 . 8 1 1 A 107 107 GLU HA H 107 4.171 4.035 0.136 1
1 1290 . 8 1 1 A 107 107 GLU C C 107 178.529 178.918 -0.389 1
1 1291 . 8 1 1 A 107 107 GLU CA C 107 59.310 59.384 -0.074 1
1 1292 . 8 1 1 A 107 107 GLU CB C 107 31.111 29.147 1.964 1
1 1294 . 8 1 1 A 107 107 GLU N N 107 119.293 118.867 0.426 1
1 1295 . 8 1 1 A 108 108 ARG H H 108 7.810 7.477 0.333 1
1 1296 . 8 1 1 A 108 108 ARG HA H 108 3.603 4.291 -0.688 1
1 1303 . 8 1 1 A 108 108 ARG C C 108 176.287 178.908 -2.621 1
1 1304 . 8 1 1 A 108 108 ARG CA C 108 60.598 59.160 1.438 1
1 1305 . 8 1 1 A 108 108 ARG CB C 108 29.548 29.915 -0.367 1
1 1308 . 8 1 1 A 108 108 ARG N N 108 118.989 120.354 -1.365 1
1 1309 . 8 1 1 A 109 109 THR H H 109 8.195 8.060 0.135 1
1 1310 . 8 1 1 A 109 109 THR HA H 109 3.645 3.818 -0.173 1
1 1315 . 8 1 1 A 109 109 THR C C 109 176.227 176.773 -0.546 1
1 1316 . 8 1 1 A 109 109 THR CA C 109 67.022 67.305 -0.283 1
1 1317 . 8 1 1 A 109 109 THR CB C 109 68.576 68.100 0.476 1
1 1319 . 8 1 1 A 109 109 THR N N 109 115.975 116.517 -0.542 1
1 1320 . 8 1 1 A 110 110 GLU H H 110 8.274 8.430 -0.156 1
1 1321 . 8 1 1 A 110 110 GLU HA H 110 3.794 3.884 -0.090 1
1 1326 . 8 1 1 A 110 110 GLU C C 110 180.516 179.485 1.031 1
1 1327 . 8 1 1 A 110 110 GLU CA C 110 59.534 59.717 -0.183 1
1 1328 . 8 1 1 A 110 110 GLU CB C 110 29.507 29.156 0.351 1
1 1330 . 8 1 1 A 110 110 GLU N N 110 119.565 120.042 -0.477 1
1 1331 . 8 1 1 A 111 111 TRP H H 111 8.316 8.872 -0.556 1
1 1332 . 8 1 1 A 111 111 TRP HA H 111 3.912 4.276 -0.364 1
1 1341 . 8 1 1 A 111 111 TRP C C 111 178.020 178.477 -0.457 1
1 1342 . 8 1 1 A 111 111 TRP CA C 111 62.464 60.060 2.404 1
1 1343 . 8 1 1 A 111 111 TRP CB C 111 29.548 29.400 0.148 1
1 1349 . 8 1 1 A 111 111 TRP N N 111 120.868 120.511 0.357 1
1 1351 . 8 1 1 A 112 112 ILE H H 112 8.271 7.771 0.500 1
1 1352 . 8 1 1 A 112 112 ILE HA H 112 3.254 3.537 -0.283 1
1 1362 . 8 1 1 A 112 112 ILE C C 112 177.669 177.935 -0.266 1
1 1363 . 8 1 1 A 112 112 ILE CA C 112 67.040 64.978 2.062 1
1 1364 . 8 1 1 A 112 112 ILE CB C 112 37.856 37.583 0.273 1
1 1368 . 8 1 1 A 112 112 ILE N N 112 118.862 119.650 -0.788 1
1 1369 . 8 1 1 A 113 113 LYS H H 113 8.042 8.244 -0.202 1
1 1370 . 8 1 1 A 113 113 LYS HA H 113 3.991 4.016 -0.025 1
1 1379 . 8 1 1 A 113 113 LYS C C 113 178.977 179.235 -0.258 1
1 1380 . 8 1 1 A 113 113 LYS CA C 113 59.328 59.243 0.085 1
1 1381 . 8 1 1 A 113 113 LYS CB C 113 32.345 32.163 0.182 1
1 1385 . 8 1 1 A 113 113 LYS N N 113 117.182 119.849 -2.667 1
1 1386 . 8 1 1 A 114 114 ALA H H 114 7.686 8.718 -1.032 1
1 1387 . 8 1 1 A 114 114 ALA HA H 114 4.058 4.016 0.042 1
1 1391 . 8 1 1 A 114 114 ALA C C 114 179.849 179.848 0.001 1
1 1392 . 8 1 1 A 114 114 ALA CA C 114 55.146 55.039 0.107 1
1 1393 . 8 1 1 A 114 114 ALA CB C 114 18.362 18.553 -0.191 1
1 1394 . 8 1 1 A 114 114 ALA N N 114 120.689 121.703 -1.014 1
1 1395 . 8 1 1 A 115 115 ILE H H 115 8.594 8.713 -0.119 1
1 1396 . 8 1 1 A 115 115 ILE HA H 115 3.534 3.576 -0.042 1
1 1406 . 8 1 1 A 115 115 ILE C C 115 178.432 178.023 0.409 1
1 1407 . 8 1 1 A 115 115 ILE CA C 115 66.016 65.609 0.407 1
1 1408 . 8 1 1 A 115 115 ILE CB C 115 38.390 37.660 0.730 1
1 1412 . 8 1 1 A 115 115 ILE N N 115 118.898 117.956 0.942 1
1 1413 . 8 1 1 A 116 116 GLN H H 116 8.732 8.513 0.219 1
1 1414 . 8 1 1 A 116 116 GLN HA H 116 3.851 4.290 -0.439 1
1 1421 . 8 1 1 A 116 116 GLN C C 116 179.655 178.278 1.377 1
1 1422 . 8 1 1 A 116 116 GLN CA C 116 59.575 59.176 0.399 1
1 1423 . 8 1 1 A 116 116 GLN CB C 116 28.222 28.641 -0.419 1
1 1425 . 8 1 1 A 116 116 GLN N N 116 119.877 118.632 1.245 1
1 1427 . 8 1 1 A 117 117 MET H H 117 8.279 8.414 -0.135 1
1 1428 . 8 1 1 A 117 117 MET HA H 117 4.155 3.919 0.236 1
1 1436 . 8 1 1 A 117 117 MET C C 117 179.123 178.276 0.847 1
1 1437 . 8 1 1 A 117 117 MET CA C 117 58.658 58.577 0.081 1
1 1438 . 8 1 1 A 117 117 MET CB C 117 31.934 32.154 -0.220 1
1 1441 . 8 1 1 A 117 117 MET N N 117 118.855 119.539 -0.684 1
1 1442 . 8 1 1 A 118 118 ALA H H 118 8.266 7.573 0.693 1
1 1443 . 8 1 1 A 118 118 ALA HA H 118 4.240 4.053 0.187 1
1 1447 . 8 1 1 A 118 118 ALA C C 118 178.820 179.595 -0.775 1
1 1448 . 8 1 1 A 118 118 ALA CA C 118 54.604 55.129 -0.525 1
1 1449 . 8 1 1 A 118 118 ALA CB C 118 18.627 18.773 -0.146 1
1 1450 . 8 1 1 A 118 118 ALA N N 118 121.702 122.177 -0.475 1
1 1451 . 8 1 1 A 119 119 SER H H 119 8.073 9.059 -0.986 1
1 1452 . 8 1 1 A 119 119 SER HA H 119 4.027 4.229 -0.202 1
1 1455 . 8 1 1 A 119 119 SER C C 119 174.663 177.262 -2.599 1
1 1456 . 8 1 1 A 119 119 SER CA C 119 60.122 61.700 -1.578 1
1 1457 . 8 1 1 A 119 119 SER CB C 119 64.299 62.604 1.695 1
1 1458 . 8 1 1 A 119 119 SER N N 119 110.080 112.730 -2.650 1
1 1459 . 8 1 1 A 120 120 ARG H H 120 7.345 8.612 -1.267 1
1 1460 . 8 1 1 A 120 120 ARG HA H 120 4.383 4.103 0.280 1
1 1467 . 8 1 1 A 120 120 ARG C C 120 176.372 176.920 -0.548 1
1 1468 . 8 1 1 A 120 120 ARG CA C 120 56.681 59.320 -2.639 1
1 1469 . 8 1 1 A 120 120 ARG CB C 120 30.248 29.679 0.569 1
1 1472 . 8 1 1 A 120 120 ARG N N 120 120.244 120.090 0.154 1
1 1473 . 8 1 1 A 121 121 THR H H 121 8.070 7.716 0.354 1
1 1474 . 8 1 1 A 121 121 THR HA H 121 4.365 4.221 0.144 1
1 1479 . 8 1 1 A 121 121 THR C C 121 175.281 176.330 -1.049 1
1 1480 . 8 1 1 A 121 121 THR CA C 121 62.557 62.341 0.216 1
1 1481 . 8 1 1 A 121 121 THR CB C 121 70.298 69.636 0.662 1
1 1483 . 8 1 1 A 121 121 THR N N 121 114.024 113.537 0.487 1
1 1484 . 8 1 1 A 122 122 GLY H H 122 8.520 8.758 -0.238 1
1 1485 . 8 1 1 A 122 122 GLY HA2 H 122 4.005 3.814 0.191 1
1 1486 . 8 1 1 A 122 122 GLY HA3 H 122 4.005 3.821 0.184 1
1 1487 . 8 1 1 A 122 122 GLY C C 122 174.118 174.781 -0.663 1
1 1488 . 8 1 1 A 122 122 GLY CA C 122 45.351 47.047 -1.696 1
1 1489 . 8 1 1 A 122 122 GLY N N 122 111.123 113.979 -2.856 1
1 1490 . 8 1 1 A 123 123 LYS H H 123 8.309 8.133 0.176 1
1 1491 . 8 1 1 A 123 123 LYS HA H 123 4.364 3.929 0.435 1
1 1500 . 8 1 1 A 123 123 LYS C C 123 176.772 175.697 1.075 1
1 1501 . 8 1 1 A 123 123 LYS CA C 123 56.310 57.117 -0.807 1
1 1502 . 8 1 1 A 123 123 LYS CB C 123 33.167 30.942 2.225 1
1 1506 . 8 1 1 A 123 123 LYS N N 123 121.100 120.012 1.088 1
1 1507 . 8 1 1 A 124 124 SER H H 124 8.453 7.943 0.510 1
1 1508 . 8 1 1 A 124 124 SER HA H 124 4.489 5.271 -0.782 1
1 1509 . 8 1 1 A 124 124 SER C C 124 174.518 174.621 -0.103 1
1 1510 . 8 1 1 A 124 124 SER CA C 124 58.357 56.382 1.975 1
1 1511 . 8 1 1 A 124 124 SER CB C 124 64.052 65.257 -1.205 1
1 1512 . 8 1 1 A 124 124 SER N N 124 117.316 112.899 4.417 1
1 1513 . 8 1 1 A 125 125 GLY H H 125 8.278 8.750 -0.472 1
1 1514 . 8 1 1 A 125 125 GLY HA2 H 125 4.154 4.100 0.054 1
1 1515 . 8 1 1 A 125 125 GLY HA3 H 125 4.102 4.100 0.002 1
1 1516 . 8 1 1 A 125 125 GLY C C 125 171.827 173.033 -1.206 1
1 1517 . 8 1 1 A 125 125 GLY CA C 125 44.680 44.371 0.309 1
1 1518 . 8 1 1 A 125 125 GLY N N 125 110.670 110.058 0.612 1
1 1519 . 8 1 1 A 126 126 PRO HA H 126 4.461 4.667 -0.206 1
1 1526 . 8 1 1 A 126 126 PRO C C 126 177.426 176.212 1.214 1
1 1527 . 8 1 1 A 126 126 PRO CA C 126 63.281 62.602 0.679 1
1 1528 . 8 1 1 A 126 126 PRO CB C 126 32.263 33.496 -1.233 1
1 1531 . 8 1 1 A 127 127 SER H H 127 8.556 8.811 -0.255 1
1 1532 . 8 1 1 A 127 127 SER HA H 127 4.489 4.590 -0.101 1
1 1535 . 8 1 1 A 127 127 SER C C 127 174.651 173.664 0.987 1
1 1536 . 8 1 1 A 127 127 SER CA C 127 58.410 59.675 -1.265 1
1 1537 . 8 1 1 A 127 127 SER CB C 127 63.682 65.321 -1.639 1
1 1538 . 8 1 1 A 127 127 SER N N 127 116.423 115.259 1.164 1
1 1539 . 8 1 1 A 128 128 SER H H 128 8.313 8.011 0.302 1
1 1540 . 8 1 1 A 128 128 SER HA H 128 4.489 4.703 -0.214 1
1 1543 . 8 1 1 A 128 128 SER C C 128 173.936 174.314 -0.378 1
1 1544 . 8 1 1 A 128 128 SER CA C 128 58.393 57.269 1.124 1
1 1545 . 8 1 1 A 128 128 SER CB C 128 64.052 63.513 0.539 1
1 1546 . 8 1 1 A 128 128 SER N N 128 117.750 115.698 2.052 1
1 1 . 9 1 1 A 6 6 SER HA H 6 4.475 4.573 -0.098 1
1 4 . 9 1 1 A 6 6 SER C C 6 174.978 174.617 0.361 1
1 5 . 9 1 1 A 6 6 SER CA C 6 58.657 59.464 -0.807 1
1 6 . 9 1 1 A 6 6 SER CB C 6 63.682 63.876 -0.194 1
1 7 . 9 1 1 A 7 7 GLY H H 7 8.385 8.264 0.121 1
1 8 . 9 1 1 A 7 7 GLY HA2 H 7 3.947 4.240 -0.293 1
1 9 . 9 1 1 A 7 7 GLY HA3 H 7 3.947 4.242 -0.295 1
1 10 . 9 1 1 A 7 7 GLY C C 7 173.900 171.532 2.368 1
1 11 . 9 1 1 A 7 7 GLY CA C 7 45.280 46.250 -0.970 1
1 12 . 9 1 1 A 7 7 GLY N N 7 110.753 110.288 0.465 1
1 13 . 9 1 1 A 8 8 VAL H H 8 7.896 8.333 -0.437 1
1 14 . 9 1 1 A 8 8 VAL HA H 8 4.046 4.892 -0.846 1
1 22 . 9 1 1 A 8 8 VAL C C 8 175.948 175.703 0.245 1
1 23 . 9 1 1 A 8 8 VAL CA C 8 62.399 60.381 2.018 1
1 24 . 9 1 1 A 8 8 VAL CB C 8 32.904 34.457 -1.553 1
1 27 . 9 1 1 A 8 8 VAL N N 8 119.771 120.656 -0.885 1
1 28 . 9 1 1 A 9 9 ILE H H 9 8.253 8.342 -0.089 1
1 29 . 9 1 1 A 9 9 ILE HA H 9 4.103 4.122 -0.019 1
1 39 . 9 1 1 A 9 9 ILE C C 9 175.984 175.521 0.463 1
1 40 . 9 1 1 A 9 9 ILE CA C 9 60.657 62.308 -1.651 1
1 41 . 9 1 1 A 9 9 ILE CB C 9 38.349 38.197 0.152 1
1 45 . 9 1 1 A 9 9 ILE N N 9 125.791 124.887 0.904 1
1 46 . 9 1 1 A 10 10 LEU H H 10 8.374 8.585 -0.211 1
1 47 . 9 1 1 A 10 10 LEU HA H 10 4.379 4.905 -0.526 1
1 57 . 9 1 1 A 10 10 LEU C C 10 177.171 176.083 1.088 1
1 58 . 9 1 1 A 10 10 LEU CA C 10 54.598 53.893 0.705 1
1 59 . 9 1 1 A 10 10 LEU CB C 10 42.873 45.529 -2.656 1
1 63 . 9 1 1 A 10 10 LEU N N 10 127.929 127.230 0.699 1
1 64 . 9 1 1 A 11 11 LYS H H 11 8.414 8.653 -0.239 1
1 65 . 9 1 1 A 11 11 LYS HA H 11 4.214 4.355 -0.141 1
1 74 . 9 1 1 A 11 11 LYS C C 11 177.244 177.187 0.057 1
1 75 . 9 1 1 A 11 11 LYS CA C 11 57.051 56.483 0.568 1
1 76 . 9 1 1 A 11 11 LYS CB C 11 33.332 33.704 -0.372 1
1 80 . 9 1 1 A 11 11 LYS N N 11 123.211 126.666 -3.455 1
1 81 . 9 1 1 A 12 12 GLU H H 12 8.629 8.998 -0.369 1
1 82 . 9 1 1 A 12 12 GLU HA H 12 3.745 4.511 -0.766 1
1 87 . 9 1 1 A 12 12 GLU C C 12 177.366 177.486 -0.120 1
1 88 . 9 1 1 A 12 12 GLU CA C 12 59.663 57.055 2.608 1
1 89 . 9 1 1 A 12 12 GLU CB C 12 29.672 30.837 -1.165 1
1 91 . 9 1 1 A 12 12 GLU N N 12 122.998 120.787 2.211 1
1 92 . 9 1 1 A 13 13 GLU H H 13 8.043 8.293 -0.250 1
1 93 . 9 1 1 A 13 13 GLU HA H 13 3.333 4.172 -0.839 1
1 98 . 9 1 1 A 13 13 GLU C C 13 175.451 176.434 -0.983 1
1 99 . 9 1 1 A 13 13 GLU CA C 13 57.634 57.072 0.562 1
1 100 . 9 1 1 A 13 13 GLU CB C 13 28.567 29.096 -0.529 1
1 102 . 9 1 1 A 13 13 GLU N N 13 113.498 116.438 -2.940 1
1 103 . 9 1 1 A 14 14 PHE H H 14 7.483 7.845 -0.362 1
1 104 . 9 1 1 A 14 14 PHE HA H 14 4.650 4.954 -0.304 1
1 112 . 9 1 1 A 14 14 PHE C C 14 175.657 175.683 -0.026 1
1 113 . 9 1 1 A 14 14 PHE CA C 14 56.187 57.063 -0.876 1
1 114 . 9 1 1 A 14 14 PHE CB C 14 39.665 38.363 1.302 1
1 120 . 9 1 1 A 14 14 PHE N N 14 115.879 119.128 -3.249 1
1 121 . 9 1 1 A 15 15 ARG H H 15 7.757 7.944 -0.187 1
1 122 . 9 1 1 A 15 15 ARG HA H 15 4.154 4.615 -0.461 1
1 129 . 9 1 1 A 15 15 ARG C C 15 177.353 176.570 0.783 1
1 130 . 9 1 1 A 15 15 ARG CA C 15 58.092 55.314 2.778 1
1 131 . 9 1 1 A 15 15 ARG CB C 15 31.193 31.754 -0.561 1
1 134 . 9 1 1 A 15 15 ARG N N 15 118.945 117.744 1.201 1
1 135 . 9 1 1 A 16 16 GLY H H 16 8.812 8.002 0.810 1
1 136 . 9 1 1 A 16 16 GLY HA2 H 16 4.194 4.083 0.111 1
1 137 . 9 1 1 A 16 16 GLY HA3 H 16 3.824 4.101 -0.277 1
1 138 . 9 1 1 A 16 16 GLY C C 16 173.427 172.855 0.572 1
1 139 . 9 1 1 A 16 16 GLY CA C 16 45.157 44.417 0.740 1
1 140 . 9 1 1 A 16 16 GLY N N 16 109.133 109.742 -0.609 1
1 141 . 9 1 1 A 17 17 VAL H H 17 8.308 8.356 -0.048 1
1 142 . 9 1 1 A 17 17 VAL HA H 17 4.060 4.896 -0.836 1
1 150 . 9 1 1 A 17 17 VAL C C 17 176.469 173.989 2.480 1
1 151 . 9 1 1 A 17 17 VAL CA C 17 62.098 59.580 2.518 1
1 152 . 9 1 1 A 17 17 VAL CB C 17 33.414 35.807 -2.393 1
1 155 . 9 1 1 A 17 17 VAL N N 17 120.815 119.476 1.339 1
1 156 . 9 1 1 A 18 18 ILE H H 18 8.547 8.920 -0.373 1
1 157 . 9 1 1 A 18 18 ILE HA H 18 4.186 4.834 -0.648 1
1 167 . 9 1 1 A 18 18 ILE C C 18 177.208 176.647 0.561 1
1 168 . 9 1 1 A 18 18 ILE CA C 18 63.175 60.046 3.129 1
1 169 . 9 1 1 A 18 18 ILE CB C 18 38.596 40.248 -1.652 1
1 173 . 9 1 1 A 18 18 ILE N N 18 125.006 123.570 1.436 1
1 174 . 9 1 1 A 19 19 ILE H H 19 9.127 8.560 0.567 1
1 175 . 9 1 1 A 19 19 ILE HA H 19 4.461 4.468 -0.007 1
1 185 . 9 1 1 A 19 19 ILE C C 19 176.081 175.934 0.147 1
1 186 . 9 1 1 A 19 19 ILE CA C 19 60.298 61.361 -1.063 1
1 187 . 9 1 1 A 19 19 ILE CB C 19 39.665 39.759 -0.094 1
1 191 . 9 1 1 A 19 19 ILE N N 19 124.358 120.664 3.694 1
1 192 . 9 1 1 A 20 20 LYS H H 20 7.620 7.753 -0.133 1
1 193 . 9 1 1 A 20 20 LYS HA H 20 4.325 4.681 -0.356 1
1 202 . 9 1 1 A 20 20 LYS C C 20 172.760 174.151 -1.391 1
1 203 . 9 1 1 A 20 20 LYS CA C 20 57.298 55.634 1.664 1
1 204 . 9 1 1 A 20 20 LYS CB C 20 36.458 35.697 0.761 1
1 208 . 9 1 1 A 20 20 LYS N N 20 121.749 121.692 0.057 1
1 209 . 9 1 1 A 21 21 GLN H H 21 8.572 8.604 -0.032 1
1 210 . 9 1 1 A 21 21 GLN HA H 21 5.927 5.442 0.485 1
1 217 . 9 1 1 A 21 21 GLN C C 21 175.124 175.421 -0.297 1
1 218 . 9 1 1 A 21 21 GLN CA C 21 54.227 54.567 -0.340 1
1 219 . 9 1 1 A 21 21 GLN CB C 21 33.369 33.026 0.343 1
1 221 . 9 1 1 A 21 21 GLN N N 21 121.653 124.547 -2.894 1
1 223 . 9 1 1 A 22 22 GLY H H 22 9.178 8.242 0.936 1
1 224 . 9 1 1 A 22 22 GLY HA2 H 22 4.904 4.334 0.570 1
1 225 . 9 1 1 A 22 22 GLY HA3 H 22 4.447 4.428 0.019 1
1 226 . 9 1 1 A 22 22 GLY C C 22 172.300 172.939 -0.639 1
1 227 . 9 1 1 A 22 22 GLY CA C 22 45.650 46.226 -0.576 1
1 228 . 9 1 1 A 22 22 GLY N N 22 108.544 109.143 -0.599 1
1 229 . 9 1 1 A 23 23 CYS H H 23 9.262 8.912 0.350 1
1 230 . 9 1 1 A 23 23 CYS HA H 23 5.904 5.839 0.065 1
1 233 . 9 1 1 A 23 23 CYS C C 23 175.293 173.933 1.360 1
1 234 . 9 1 1 A 23 23 CYS CA C 23 59.222 57.678 1.544 1
1 235 . 9 1 1 A 23 23 CYS CB C 23 29.260 29.626 -0.366 1
1 236 . 9 1 1 A 23 23 CYS N N 23 118.575 117.545 1.030 1
1 237 . 9 1 1 A 24 24 LEU H H 24 9.131 10.751 -1.620 1
1 238 . 9 1 1 A 24 24 LEU HA H 24 4.627 5.081 -0.454 1
1 248 . 9 1 1 A 24 24 LEU C C 24 175.354 175.622 -0.268 1
1 249 . 9 1 1 A 24 24 LEU CA C 24 53.963 53.640 0.323 1
1 250 . 9 1 1 A 24 24 LEU CB C 24 47.315 45.229 2.086 1
1 254 . 9 1 1 A 24 24 LEU N N 24 122.880 124.611 -1.731 1
1 255 . 9 1 1 A 25 25 LEU H H 25 7.968 9.046 -1.078 1
1 256 . 9 1 1 A 25 25 LEU HA H 25 5.056 5.111 -0.055 1
1 266 . 9 1 1 A 25 25 LEU C C 25 175.766 175.081 0.685 1
1 267 . 9 1 1 A 25 25 LEU CA C 25 54.810 54.247 0.563 1
1 268 . 9 1 1 A 25 25 LEU CB C 25 44.065 42.241 1.824 1
1 272 . 9 1 1 A 25 25 LEU N N 25 119.755 122.858 -3.103 1
1 273 . 9 1 1 A 26 26 LYS H H 26 9.307 8.569 0.738 1
1 274 . 9 1 1 A 26 26 LYS HA H 26 5.166 4.715 0.451 1
1 283 . 9 1 1 A 26 26 LYS C C 26 175.778 176.440 -0.662 1
1 284 . 9 1 1 A 26 26 LYS CA C 26 54.687 55.547 -0.860 1
1 285 . 9 1 1 A 26 26 LYS CB C 26 37.033 33.845 3.188 1
1 289 . 9 1 1 A 26 26 LYS N N 26 122.635 126.001 -3.366 1
1 290 . 9 1 1 A 27 27 GLN H H 27 8.228 8.127 0.101 1
1 291 . 9 1 1 A 27 27 GLN HA H 27 3.839 3.551 0.288 1
1 298 . 9 1 1 A 27 27 GLN C C 27 176.869 176.852 0.017 1
1 299 . 9 1 1 A 27 27 GLN CA C 27 55.922 56.917 -0.995 1
1 300 . 9 1 1 A 27 27 GLN CB C 27 29.589 29.230 0.359 1
1 302 . 9 1 1 A 27 27 GLN N N 27 132.145 127.534 4.611 1
1 304 . 9 1 1 A 28 28 GLY H H 28 8.434 8.536 -0.102 1
1 305 . 9 1 1 A 28 28 GLY HA2 H 28 4.144 3.895 0.249 1
1 306 . 9 1 1 A 28 28 GLY HA3 H 28 3.999 3.930 0.069 1
1 307 . 9 1 1 A 28 28 GLY CA C 28 45.457 46.627 -1.170 1
1 308 . 9 1 1 A 28 28 GLY N N 28 114.691 112.582 2.109 1
1 309 . 9 1 1 A 29 29 HIS HA H 29 4.352 5.082 -0.730 1
1 314 . 9 1 1 A 29 29 HIS CA C 29 58.505 54.504 4.001 1
1 315 . 9 1 1 A 29 29 HIS CB C 29 30.967 34.358 -3.391 1
1 318 . 9 1 1 A 30 30 ARG HA H 30 4.114 4.202 -0.088 1
1 325 . 9 1 1 A 30 30 ARG CA C 30 56.429 57.078 -0.649 1
1 326 . 9 1 1 A 30 30 ARG CB C 30 29.591 30.951 -1.360 1
1 329 . 9 1 1 A 31 31 ARG HA H 31 3.774 4.624 -0.850 1
1 336 . 9 1 1 A 31 31 ARG C C 31 175.536 174.507 1.029 1
1 337 . 9 1 1 A 31 31 ARG CA C 31 55.922 55.429 0.493 1
1 338 . 9 1 1 A 31 31 ARG CB C 31 29.302 32.781 -3.479 1
1 341 . 9 1 1 A 32 32 LYS H H 32 8.011 8.544 -0.533 1
1 342 . 9 1 1 A 32 32 LYS HA H 32 4.164 4.262 -0.098 1
1 351 . 9 1 1 A 32 32 LYS C C 32 175.741 175.783 -0.042 1
1 352 . 9 1 1 A 32 32 LYS CA C 32 56.239 58.578 -2.339 1
1 353 . 9 1 1 A 32 32 LYS CB C 32 32.016 31.779 0.237 1
1 357 . 9 1 1 A 32 32 LYS N N 32 117.463 119.761 -2.298 1
1 358 . 9 1 1 A 33 33 ASN H H 33 7.870 8.579 -0.709 1
1 359 . 9 1 1 A 33 33 ASN HA H 33 4.807 4.882 -0.075 1
1 364 . 9 1 1 A 33 33 ASN C C 33 173.681 175.566 -1.885 1
1 365 . 9 1 1 A 33 33 ASN CA C 33 52.551 53.208 -0.657 1
1 366 . 9 1 1 A 33 33 ASN CB C 33 39.830 39.683 0.147 1
1 367 . 9 1 1 A 33 33 ASN N N 33 117.522 120.381 -2.859 1
1 369 . 9 1 1 A 34 34 TRP H H 34 8.704 8.652 0.052 1
1 370 . 9 1 1 A 34 34 TRP HA H 34 4.807 4.771 0.036 1
1 379 . 9 1 1 A 34 34 TRP C C 34 176.129 176.169 -0.040 1
1 380 . 9 1 1 A 34 34 TRP CA C 34 56.540 57.559 -1.019 1
1 381 . 9 1 1 A 34 34 TRP CB C 34 31.399 29.973 1.426 1
1 387 . 9 1 1 A 34 34 TRP N N 34 121.620 120.643 0.977 1
1 389 . 9 1 1 A 35 35 LYS H H 35 8.457 8.529 -0.072 1
1 390 . 9 1 1 A 35 35 LYS HA H 35 4.876 4.852 0.024 1
1 399 . 9 1 1 A 35 35 LYS C C 35 176.081 175.640 0.441 1
1 400 . 9 1 1 A 35 35 LYS CA C 35 54.298 54.646 -0.348 1
1 401 . 9 1 1 A 35 35 LYS CB C 35 36.498 34.990 1.508 1
1 405 . 9 1 1 A 35 35 LYS N N 35 120.816 121.626 -0.810 1
1 406 . 9 1 1 A 36 36 VAL H H 36 8.974 8.715 0.259 1
1 407 . 9 1 1 A 36 36 VAL HA H 36 4.254 4.253 0.001 1
1 415 . 9 1 1 A 36 36 VAL C C 36 176.808 175.973 0.835 1
1 416 . 9 1 1 A 36 36 VAL CA C 36 63.828 63.534 0.294 1
1 417 . 9 1 1 A 36 36 VAL CB C 36 31.687 32.325 -0.638 1
1 420 . 9 1 1 A 36 36 VAL N N 36 123.825 125.551 -1.726 1
1 421 . 9 1 1 A 37 37 ARG H H 37 9.327 9.407 -0.080 1
1 422 . 9 1 1 A 37 37 ARG HA H 37 4.930 4.970 -0.040 1
1 427 . 9 1 1 A 37 37 ARG C C 37 173.815 174.658 -0.843 1
1 428 . 9 1 1 A 37 37 ARG CA C 37 54.351 54.543 -0.192 1
1 429 . 9 1 1 A 37 37 ARG CB C 37 34.709 34.158 0.551 1
1 432 . 9 1 1 A 37 37 ARG N N 37 128.926 126.257 2.669 1
1 433 . 9 1 1 A 38 38 LYS H H 38 8.714 8.354 0.360 1
1 434 . 9 1 1 A 38 38 LYS HA H 38 4.959 4.911 0.048 1
1 443 . 9 1 1 A 38 38 LYS C C 38 175.075 175.116 -0.041 1
1 444 . 9 1 1 A 38 38 LYS CA C 38 55.869 56.552 -0.683 1
1 445 . 9 1 1 A 38 38 LYS CB C 38 34.072 33.046 1.026 1
1 449 . 9 1 1 A 38 38 LYS N N 38 121.669 123.822 -2.153 1
1 450 . 9 1 1 A 39 39 PHE H H 39 9.751 9.574 0.177 1
1 451 . 9 1 1 A 39 39 PHE HA H 39 5.591 5.285 0.306 1
1 459 . 9 1 1 A 39 39 PHE C C 39 175.414 174.614 0.800 1
1 460 . 9 1 1 A 39 39 PHE CA C 39 57.474 56.739 0.735 1
1 461 . 9 1 1 A 39 39 PHE CB C 39 42.667 41.130 1.537 1
1 467 . 9 1 1 A 39 39 PHE N N 39 127.216 126.419 0.797 1
1 468 . 9 1 1 A 40 40 ILE H H 40 9.246 9.594 -0.348 1
1 469 . 9 1 1 A 40 40 ILE HA H 40 4.864 5.195 -0.331 1
1 479 . 9 1 1 A 40 40 ILE C C 40 174.724 174.563 0.161 1
1 480 . 9 1 1 A 40 40 ILE CA C 40 62.134 60.289 1.845 1
1 481 . 9 1 1 A 40 40 ILE CB C 40 41.022 39.530 1.492 1
1 485 . 9 1 1 A 40 40 ILE N N 40 119.337 123.942 -4.605 1
1 486 . 9 1 1 A 41 41 LEU H H 41 9.549 9.204 0.345 1
1 487 . 9 1 1 A 41 41 LEU HA H 41 5.485 5.355 0.130 1
1 497 . 9 1 1 A 41 41 LEU C C 41 174.457 175.426 -0.969 1
1 498 . 9 1 1 A 41 41 LEU CA C 41 54.004 53.767 0.237 1
1 499 . 9 1 1 A 41 41 LEU CB C 41 45.299 45.591 -0.292 1
1 503 . 9 1 1 A 41 41 LEU N N 41 132.451 131.065 1.386 1
1 504 . 9 1 1 A 42 42 ARG H H 42 9.383 9.124 0.259 1
1 505 . 9 1 1 A 42 42 ARG HA H 42 5.492 5.283 0.209 1
1 513 . 9 1 1 A 42 42 ARG C C 42 174.893 175.199 -0.306 1
1 514 . 9 1 1 A 42 42 ARG CA C 42 54.421 54.552 -0.131 1
1 515 . 9 1 1 A 42 42 ARG CB C 42 35.470 33.766 1.704 1
1 518 . 9 1 1 A 42 42 ARG N N 42 128.467 124.511 3.956 1
1 520 . 9 1 1 A 43 43 GLU H H 43 8.259 8.712 -0.453 1
1 521 . 9 1 1 A 43 43 GLU HA H 43 4.366 4.800 -0.434 1
1 526 . 9 1 1 A 43 43 GLU C C 43 174.893 175.891 -0.998 1
1 527 . 9 1 1 A 43 43 GLU CA C 43 54.898 55.686 -0.788 1
1 528 . 9 1 1 A 43 43 GLU CB C 43 33.102 31.302 1.800 1
1 530 . 9 1 1 A 43 43 GLU N N 43 115.434 120.381 -4.947 1
1 531 . 9 1 1 A 44 44 ASP H H 44 7.870 9.044 -1.174 1
1 532 . 9 1 1 A 44 44 ASP HA H 44 4.433 4.266 0.167 1
1 535 . 9 1 1 A 44 44 ASP C C 44 172.991 174.323 -1.332 1
1 536 . 9 1 1 A 44 44 ASP CA C 44 53.892 54.949 -1.057 1
1 537 . 9 1 1 A 44 44 ASP CB C 44 41.146 39.601 1.545 1
1 538 . 9 1 1 A 44 44 ASP N N 44 114.444 120.262 -5.818 1
1 539 . 9 1 1 A 45 45 PRO HA H 45 4.710 4.567 0.143 1
1 546 . 9 1 1 A 45 45 PRO C C 45 176.747 175.439 1.308 1
1 547 . 9 1 1 A 45 45 PRO CA C 45 63.246 62.582 0.664 1
1 548 . 9 1 1 A 45 45 PRO CB C 45 34.977 32.881 2.096 1
1 551 . 9 1 1 A 46 46 ALA H H 46 8.356 8.245 0.111 1
1 552 . 9 1 1 A 46 46 ALA HA H 46 5.049 4.900 0.149 1
1 556 . 9 1 1 A 46 46 ALA C C 46 175.499 176.197 -0.698 1
1 557 . 9 1 1 A 46 46 ALA CA C 46 51.545 50.736 0.809 1
1 558 . 9 1 1 A 46 46 ALA CB C 46 19.655 19.447 0.208 1
1 559 . 9 1 1 A 46 46 ALA N N 46 122.969 123.620 -0.651 1
1 560 . 9 1 1 A 47 47 TYR H H 47 8.047 9.097 -1.050 1
1 561 . 9 1 1 A 47 47 TYR HA H 47 5.097 5.248 -0.151 1
1 568 . 9 1 1 A 47 47 TYR C C 47 173.730 174.454 -0.724 1
1 569 . 9 1 1 A 47 47 TYR CA C 47 57.563 56.318 1.245 1
1 570 . 9 1 1 A 47 47 TYR CB C 47 45.711 43.401 2.310 1
1 575 . 9 1 1 A 47 47 TYR N N 47 126.550 120.999 5.551 1
1 576 . 9 1 1 A 48 48 LEU H H 48 8.776 8.706 0.070 1
1 577 . 9 1 1 A 48 48 LEU HA H 48 5.578 5.256 0.322 1
1 587 . 9 1 1 A 48 48 LEU C C 48 175.039 174.322 0.717 1
1 588 . 9 1 1 A 48 48 LEU CA C 48 53.134 53.911 -0.777 1
1 589 . 9 1 1 A 48 48 LEU CB C 48 46.369 45.288 1.081 1
1 593 . 9 1 1 A 48 48 LEU N N 48 120.864 121.950 -1.086 1
1 594 . 9 1 1 A 49 49 HIS H H 49 8.974 9.178 -0.204 1
1 595 . 9 1 1 A 49 49 HIS HA H 49 5.181 4.883 0.298 1
1 600 . 9 1 1 A 49 49 HIS C C 49 174.712 173.641 1.071 1
1 601 . 9 1 1 A 49 49 HIS CA C 49 57.916 53.942 3.974 1
1 602 . 9 1 1 A 49 49 HIS CB C 49 35.347 31.528 3.819 1
1 605 . 9 1 1 A 49 49 HIS N N 49 124.417 126.309 -1.892 1
1 606 . 9 1 1 A 50 50 TYR H H 50 7.348 8.099 -0.751 1
1 607 . 9 1 1 A 50 50 TYR HA H 50 5.909 5.703 0.206 1
1 614 . 9 1 1 A 50 50 TYR C C 50 174.239 174.420 -0.181 1
1 615 . 9 1 1 A 50 50 TYR CA C 50 53.610 55.512 -1.902 1
1 616 . 9 1 1 A 50 50 TYR CB C 50 40.077 39.829 0.248 1
1 621 . 9 1 1 A 50 50 TYR N N 50 114.323 121.684 -7.361 1
1 622 . 9 1 1 A 51 51 TYR H H 51 9.230 9.011 0.219 1
1 623 . 9 1 1 A 51 51 TYR HA H 51 4.555 4.956 -0.401 1
1 630 . 9 1 1 A 51 51 TYR C C 51 175.572 174.937 0.635 1
1 631 . 9 1 1 A 51 51 TYR CA C 51 57.175 56.644 0.531 1
1 632 . 9 1 1 A 51 51 TYR CB C 51 42.709 41.340 1.369 1
1 637 . 9 1 1 A 51 51 TYR N N 51 117.695 122.519 -4.824 1
1 638 . 9 1 1 A 52 52 ASP H H 52 9.390 8.556 0.834 1
1 639 . 9 1 1 A 52 52 ASP HA H 52 4.937 4.793 0.144 1
1 642 . 9 1 1 A 52 52 ASP CA C 52 52.057 52.095 -0.038 1
1 643 . 9 1 1 A 52 52 ASP CB C 52 42.197 42.121 0.076 1
1 644 . 9 1 1 A 52 52 ASP N N 52 123.964 124.021 -0.057 1
1 645 . 9 1 1 A 53 53 PRO HA H 53 4.274 4.642 -0.368 1
1 652 . 9 1 1 A 53 53 PRO C C 53 176.360 177.205 -0.845 1
1 653 . 9 1 1 A 53 53 PRO CA C 53 64.728 64.017 0.711 1
1 654 . 9 1 1 A 53 53 PRO CB C 53 32.016 31.978 0.038 1
1 657 . 9 1 1 A 54 54 ALA H H 54 8.384 7.851 0.533 1
1 658 . 9 1 1 A 54 54 ALA HA H 54 4.492 4.385 0.107 1
1 662 . 9 1 1 A 54 54 ALA C C 54 177.620 177.184 0.436 1
1 663 . 9 1 1 A 54 54 ALA CA C 54 52.022 51.857 0.165 1
1 664 . 9 1 1 A 54 54 ALA CB C 54 19.202 19.480 -0.278 1
1 665 . 9 1 1 A 54 54 ALA N N 54 120.140 118.955 1.185 1
1 666 . 9 1 1 A 55 55 GLY H H 55 7.710 7.525 0.185 1
1 667 . 9 1 1 A 55 55 GLY HA2 H 55 4.194 4.122 0.072 1
1 668 . 9 1 1 A 55 55 GLY HA3 H 55 3.833 4.124 -0.291 1
1 669 . 9 1 1 A 55 55 GLY C C 55 173.524 173.640 -0.116 1
1 670 . 9 1 1 A 55 55 GLY CA C 55 45.421 45.053 0.368 1
1 671 . 9 1 1 A 55 55 GLY N N 55 107.828 105.167 2.661 1
1 672 . 9 1 1 A 56 56 ALA H H 56 8.339 8.908 -0.569 1
1 673 . 9 1 1 A 56 56 ALA HA H 56 4.378 3.926 0.452 1
1 677 . 9 1 1 A 56 56 ALA C C 56 177.741 176.966 0.775 1
1 678 . 9 1 1 A 56 56 ALA CA C 56 52.410 55.145 -2.735 1
1 679 . 9 1 1 A 56 56 ALA CB C 56 19.843 18.070 1.773 1
1 680 . 9 1 1 A 56 56 ALA N N 56 125.269 123.082 2.187 1
1 681 . 9 1 1 A 57 57 GLU H H 57 8.567 8.889 -0.322 1
1 682 . 9 1 1 A 57 57 GLU HA H 57 4.160 4.282 -0.122 1
1 687 . 9 1 1 A 57 57 GLU C C 57 176.335 175.671 0.664 1
1 688 . 9 1 1 A 57 57 GLU CA C 57 57.616 58.425 -0.809 1
1 689 . 9 1 1 A 57 57 GLU CB C 57 30.083 29.362 0.721 1
1 691 . 9 1 1 A 57 57 GLU N N 57 119.341 118.344 0.997 1
1 692 . 9 1 1 A 58 58 ASP H H 58 7.718 8.073 -0.355 1
1 693 . 9 1 1 A 58 58 ASP HA H 58 5.010 4.881 0.129 1
1 696 . 9 1 1 A 58 58 ASP C C 58 173.209 175.380 -2.171 1
1 697 . 9 1 1 A 58 58 ASP CA C 58 52.128 52.663 -0.535 1
1 698 . 9 1 1 A 58 58 ASP CB C 58 40.981 41.108 -0.127 1
1 699 . 9 1 1 A 58 58 ASP N N 58 118.499 120.379 -1.880 1
1 700 . 9 1 1 A 59 59 PRO HA H 59 3.493 3.908 -0.415 1
1 707 . 9 1 1 A 59 59 PRO C C 59 177.111 177.697 -0.586 1
1 708 . 9 1 1 A 59 59 PRO CA C 59 63.069 62.283 0.786 1
1 709 . 9 1 1 A 59 59 PRO CB C 59 31.229 31.146 0.083 1
1 712 . 9 1 1 A 60 60 LEU H H 60 8.770 8.301 0.469 1
1 713 . 9 1 1 A 60 60 LEU HA H 60 4.114 3.849 0.265 1
1 723 . 9 1 1 A 60 60 LEU C C 60 177.268 176.686 0.582 1
1 724 . 9 1 1 A 60 60 LEU CA C 60 55.181 57.235 -2.054 1
1 725 . 9 1 1 A 60 60 LEU CB C 60 42.750 41.883 0.867 1
1 729 . 9 1 1 A 60 60 LEU N N 60 121.907 123.002 -1.095 1
1 730 . 9 1 1 A 61 61 GLY H H 61 6.472 6.481 -0.009 1
1 731 . 9 1 1 A 61 61 GLY HA2 H 61 3.798 3.867 -0.069 1
1 732 . 9 1 1 A 61 61 GLY HA3 H 61 3.382 3.919 -0.537 1
1 733 . 9 1 1 A 61 61 GLY C C 61 169.367 170.866 -1.499 1
1 734 . 9 1 1 A 61 61 GLY CA C 61 45.033 45.620 -0.587 1
1 735 . 9 1 1 A 61 61 GLY N N 61 103.740 103.249 0.491 1
1 736 . 9 1 1 A 62 62 ALA H H 62 8.024 8.271 -0.247 1
1 737 . 9 1 1 A 62 62 ALA HA H 62 4.644 5.282 -0.638 1
1 741 . 9 1 1 A 62 62 ALA C C 62 176.226 175.252 0.974 1
1 742 . 9 1 1 A 62 62 ALA CA C 62 50.839 51.066 -0.227 1
1 743 . 9 1 1 A 62 62 ALA CB C 62 23.914 22.964 0.950 1
1 744 . 9 1 1 A 62 62 ALA N N 62 120.249 121.551 -1.302 1
1 745 . 9 1 1 A 63 63 ILE H H 63 8.810 8.447 0.363 1
1 746 . 9 1 1 A 63 63 ILE HA H 63 4.119 4.834 -0.715 1
1 756 . 9 1 1 A 63 63 ILE C C 63 174.724 175.791 -1.067 1
1 757 . 9 1 1 A 63 63 ILE CA C 63 60.757 60.767 -0.010 1
1 758 . 9 1 1 A 63 63 ILE CB C 63 40.319 40.079 0.240 1
1 762 . 9 1 1 A 63 63 ILE N N 63 122.110 120.076 2.034 1
1 763 . 9 1 1 A 64 64 HIS H H 64 9.073 9.120 -0.047 1
1 764 . 9 1 1 A 64 64 HIS HA H 64 3.948 4.535 -0.587 1
1 769 . 9 1 1 A 64 64 HIS C C 64 176.529 175.543 0.986 1
1 770 . 9 1 1 A 64 64 HIS CA C 64 54.951 57.867 -2.916 1
1 771 . 9 1 1 A 64 64 HIS CB C 64 30.494 30.623 -0.129 1
1 774 . 9 1 1 A 64 64 HIS N N 64 129.092 128.203 0.889 1
1 775 . 9 1 1 A 65 65 LEU H H 65 7.770 8.066 -0.296 1
1 776 . 9 1 1 A 65 65 LEU HA H 65 4.074 4.510 -0.436 1
1 786 . 9 1 1 A 65 65 LEU C C 65 176.808 177.139 -0.331 1
1 787 . 9 1 1 A 65 65 LEU CA C 65 54.951 54.567 0.384 1
1 788 . 9 1 1 A 65 65 LEU CB C 65 42.667 42.584 0.083 1
1 792 . 9 1 1 A 65 65 LEU N N 65 124.760 128.115 -3.355 1
1 793 . 9 1 1 A 66 66 ARG H H 66 6.515 7.088 -0.573 1
1 794 . 9 1 1 A 66 66 ARG HA H 66 4.085 3.727 0.358 1
1 801 . 9 1 1 A 66 66 ARG C C 66 178.638 177.708 0.930 1
1 802 . 9 1 1 A 66 66 ARG CA C 66 58.092 59.121 -1.029 1
1 803 . 9 1 1 A 66 66 ARG CB C 66 29.525 29.416 0.109 1
1 806 . 9 1 1 A 66 66 ARG N N 66 120.462 121.120 -0.658 1
1 807 . 9 1 1 A 67 67 GLY H H 67 9.300 7.729 1.571 1
1 808 . 9 1 1 A 67 67 GLY HA2 H 67 4.045 3.921 0.124 1
1 809 . 9 1 1 A 67 67 GLY HA3 H 67 3.826 3.928 -0.102 1
1 810 . 9 1 1 A 67 67 GLY C C 67 173.996 173.964 0.032 1
1 811 . 9 1 1 A 67 67 GLY CA C 67 46.162 45.408 0.754 1
1 812 . 9 1 1 A 67 67 GLY N N 67 118.040 106.609 11.431 1
1 813 . 9 1 1 A 68 68 CYS H H 68 7.789 7.553 0.236 1
1 814 . 9 1 1 A 68 68 CYS HA H 68 4.779 4.379 0.400 1
1 817 . 9 1 1 A 68 68 CYS C C 68 173.148 174.142 -0.994 1
1 818 . 9 1 1 A 68 68 CYS CA C 68 57.545 59.173 -1.628 1
1 819 . 9 1 1 A 68 68 CYS CB C 68 28.644 28.814 -0.170 1
1 820 . 9 1 1 A 68 68 CYS N N 68 116.032 118.423 -2.391 1
1 821 . 9 1 1 A 69 69 VAL H H 69 8.665 9.608 -0.943 1
1 822 . 9 1 1 A 69 69 VAL HA H 69 4.364 4.821 -0.457 1
1 830 . 9 1 1 A 69 69 VAL C C 69 174.154 174.597 -0.443 1
1 831 . 9 1 1 A 69 69 VAL CA C 69 61.464 60.669 0.795 1
1 832 . 9 1 1 A 69 69 VAL CB C 69 35.041 35.940 -0.899 1
1 835 . 9 1 1 A 69 69 VAL N N 69 120.327 121.302 -0.975 1
1 836 . 9 1 1 A 70 70 VAL H H 70 8.656 8.676 -0.020 1
1 837 . 9 1 1 A 70 70 VAL HA H 70 5.543 5.069 0.474 1
1 845 . 9 1 1 A 70 70 VAL C C 70 174.105 175.250 -1.145 1
1 846 . 9 1 1 A 70 70 VAL CA C 70 59.028 61.123 -2.095 1
1 847 . 9 1 1 A 70 70 VAL CB C 70 34.237 33.824 0.413 1
1 850 . 9 1 1 A 70 70 VAL N N 70 124.719 125.834 -1.115 1
1 851 . 9 1 1 A 71 71 THR H H 71 8.883 8.580 0.303 1
1 852 . 9 1 1 A 71 71 THR HA H 71 4.724 4.699 0.025 1
1 857 . 9 1 1 A 71 71 THR C C 71 173.087 172.507 0.580 1
1 858 . 9 1 1 A 71 71 THR CA C 71 59.875 60.951 -1.076 1
1 859 . 9 1 1 A 71 71 THR CB C 71 71.290 70.841 0.449 1
1 861 . 9 1 1 A 71 71 THR N N 71 120.107 120.493 -0.386 1
1 862 . 9 1 1 A 72 72 SER H H 72 8.706 8.463 0.243 1
1 863 . 9 1 1 A 72 72 SER HA H 72 4.455 5.141 -0.686 1
1 866 . 9 1 1 A 72 72 SER C C 72 174.082 174.344 -0.262 1
1 867 . 9 1 1 A 72 72 SER CA C 72 59.204 57.179 2.025 1
1 868 . 9 1 1 A 72 72 SER CB C 72 63.476 65.270 -1.794 1
1 869 . 9 1 1 A 72 72 SER N N 72 120.128 120.433 -0.305 1
1 870 . 9 1 1 A 73 73 VAL H H 73 7.825 8.436 -0.611 1
1 871 . 9 1 1 A 73 73 VAL HA H 73 4.302 4.703 -0.401 1
1 879 . 9 1 1 A 73 73 VAL C C 73 175.160 176.002 -0.842 1
1 880 . 9 1 1 A 73 73 VAL CA C 73 62.010 59.584 2.426 1
1 881 . 9 1 1 A 73 73 VAL CB C 73 33.579 34.203 -0.624 1
1 884 . 9 1 1 A 73 73 VAL N N 73 125.377 116.714 8.663 1
1 885 . 9 1 1 A 74 74 GLU H H 74 8.706 8.919 -0.213 1
1 886 . 9 1 1 A 74 74 GLU HA H 74 4.544 4.250 0.294 1
1 891 . 9 1 1 A 74 74 GLU C C 74 176.420 176.508 -0.088 1
1 892 . 9 1 1 A 74 74 GLU CA C 74 55.622 58.808 -3.186 1
1 893 . 9 1 1 A 74 74 GLU CB C 74 30.741 29.885 0.856 1
1 895 . 9 1 1 A 74 74 GLU N N 74 126.564 122.037 4.527 1
1 896 . 9 1 1 A 75 75 SER H H 75 8.639 8.160 0.479 1
1 897 . 9 1 1 A 75 75 SER HA H 75 4.447 4.233 0.214 1
1 900 . 9 1 1 A 75 75 SER C C 75 174.299 173.696 0.603 1
1 901 . 9 1 1 A 75 75 SER CA C 75 58.339 58.979 -0.640 1
1 902 . 9 1 1 A 75 75 SER CB C 75 64.170 60.818 3.352 1
1 903 . 9 1 1 A 75 75 SER N N 75 117.961 113.906 4.055 1
1 904 . 9 1 1 A 76 76 ASN H H 76 8.672 7.954 0.718 1
1 905 . 9 1 1 A 76 76 ASN HA H 76 4.795 5.042 -0.247 1
1 910 . 9 1 1 A 76 76 ASN C C 76 175.584 174.763 0.821 1
1 911 . 9 1 1 A 76 76 ASN CA C 76 53.292 53.257 0.035 1
1 912 . 9 1 1 A 76 76 ASN CB C 76 39.089 41.643 -2.554 1
1 913 . 9 1 1 A 76 76 ASN N N 76 121.138 122.618 -1.480 1
1 915 . 9 1 1 A 78 78 ASN HA H 78 4.635 4.980 -0.345 1
1 920 . 9 1 1 A 78 78 ASN C C 78 175.681 175.862 -0.181 1
1 921 . 9 1 1 A 78 78 ASN CA C 78 53.610 54.510 -0.900 1
1 922 . 9 1 1 A 78 78 ASN CB C 78 38.496 41.309 -2.813 1
1 924 . 9 1 1 A 79 79 GLY H H 79 8.356 7.562 0.794 1
1 925 . 9 1 1 A 79 79 GLY HA2 H 79 3.821 4.044 -0.223 1
1 926 . 9 1 1 A 79 79 GLY HA3 H 79 4.011 4.044 -0.033 1
1 927 . 9 1 1 A 79 79 GLY C C 79 174.154 176.043 -1.889 1
1 928 . 9 1 1 A 79 79 GLY CA C 79 45.563 45.518 0.045 1
1 929 . 9 1 1 A 79 79 GLY N N 79 108.284 105.280 3.004 1
1 930 . 9 1 1 A 80 80 ARG H H 80 7.919 8.482 -0.563 1
1 931 . 9 1 1 A 80 80 ARG HA H 80 4.344 4.024 0.320 1
1 938 . 9 1 1 A 80 80 ARG C C 80 176.117 176.910 -0.793 1
1 939 . 9 1 1 A 80 80 ARG CA C 80 55.905 59.208 -3.303 1
1 940 . 9 1 1 A 80 80 ARG CB C 80 30.782 30.454 0.328 1
1 943 . 9 1 1 A 80 80 ARG N N 80 120.470 121.946 -1.476 1
1 944 . 9 1 1 A 81 81 LYS H H 81 8.427 7.791 0.636 1
1 945 . 9 1 1 A 81 81 LYS HA H 81 4.350 4.398 -0.048 1
1 954 . 9 1 1 A 81 81 LYS C C 81 176.808 175.234 1.574 1
1 955 . 9 1 1 A 81 81 LYS CA C 81 56.416 56.254 0.162 1
1 956 . 9 1 1 A 81 81 LYS CB C 81 32.797 34.204 -1.407 1
1 960 . 9 1 1 A 81 81 LYS N N 81 122.963 118.432 4.531 1
1 961 . 9 1 1 A 82 82 SER H H 82 8.440 8.526 -0.086 1
1 962 . 9 1 1 A 82 82 SER HA H 82 4.380 4.820 -0.440 1
1 965 . 9 1 1 A 82 82 SER C C 82 174.833 173.859 0.974 1
1 966 . 9 1 1 A 82 82 SER CA C 82 58.763 57.486 1.277 1
1 967 . 9 1 1 A 82 82 SER CB C 82 63.723 64.376 -0.653 1
1 968 . 9 1 1 A 82 82 SER N N 82 118.053 115.284 2.769 1
1 969 . 9 1 1 A 83 83 GLU H H 83 8.648 8.538 0.110 1
1 970 . 9 1 1 A 83 83 GLU HA H 83 4.233 4.310 -0.077 1
1 975 . 9 1 1 A 83 83 GLU C C 83 176.311 176.766 -0.455 1
1 976 . 9 1 1 A 83 83 GLU CA C 83 57.104 58.332 -1.228 1
1 977 . 9 1 1 A 83 83 GLU CB C 83 29.795 30.752 -0.957 1
1 979 . 9 1 1 A 83 83 GLU N N 83 121.793 124.794 -3.001 1
1 980 . 9 1 1 A 84 84 GLU H H 84 8.088 7.765 0.323 1
1 981 . 9 1 1 A 84 84 GLU HA H 84 4.161 4.470 -0.309 1
1 986 . 9 1 1 A 84 84 GLU C C 84 175.523 174.824 0.699 1
1 987 . 9 1 1 A 84 84 GLU CA C 84 56.275 55.149 1.126 1
1 988 . 9 1 1 A 84 84 GLU CB C 84 30.165 32.592 -2.427 1
1 990 . 9 1 1 A 84 84 GLU N N 84 119.385 117.843 1.542 1
1 991 . 9 1 1 A 85 85 GLU H H 85 7.907 8.527 -0.620 1
1 992 . 9 1 1 A 85 85 GLU HA H 85 4.350 4.805 -0.455 1
1 997 . 9 1 1 A 85 85 GLU C C 85 175.002 175.188 -0.186 1
1 998 . 9 1 1 A 85 85 GLU CA C 85 55.569 54.355 1.214 1
1 999 . 9 1 1 A 85 85 GLU CB C 85 32.098 33.050 -0.952 1
1 1001 . 9 1 1 A 85 85 GLU N N 85 120.414 122.785 -2.371 1
1 1002 . 9 1 1 A 86 86 ASN H H 86 8.569 8.749 -0.180 1
1 1003 . 9 1 1 A 86 86 ASN HA H 86 4.225 4.267 -0.042 1
1 1008 . 9 1 1 A 86 86 ASN C C 86 175.147 174.425 0.722 1
1 1009 . 9 1 1 A 86 86 ASN CA C 86 54.068 54.193 -0.125 1
1 1010 . 9 1 1 A 86 86 ASN CB C 86 38.185 37.115 1.070 1
1 1011 . 9 1 1 A 86 86 ASN N N 86 114.602 116.042 -1.440 1
1 1013 . 9 1 1 A 87 87 LEU H H 87 8.483 7.634 0.849 1
1 1014 . 9 1 1 A 87 87 LEU HA H 87 5.186 5.229 -0.043 1
1 1024 . 9 1 1 A 87 87 LEU C C 87 178.480 175.868 2.612 1
1 1025 . 9 1 1 A 87 87 LEU CA C 87 55.128 53.139 1.989 1
1 1026 . 9 1 1 A 87 87 LEU CB C 87 44.559 44.693 -0.134 1
1 1030 . 9 1 1 A 87 87 LEU N N 87 121.334 118.677 2.657 1
1 1031 . 9 1 1 A 88 88 PHE H H 88 9.512 7.995 1.517 1
1 1032 . 9 1 1 A 88 88 PHE HA H 88 5.156 4.919 0.237 1
1 1040 . 9 1 1 A 88 88 PHE C C 88 170.288 171.844 -1.556 1
1 1041 . 9 1 1 A 88 88 PHE CA C 88 56.787 56.472 0.315 1
1 1042 . 9 1 1 A 88 88 PHE CB C 88 41.763 40.770 0.993 1
1 1048 . 9 1 1 A 88 88 PHE N N 88 119.324 117.022 2.302 1
1 1049 . 9 1 1 A 89 89 GLU H H 89 9.028 8.417 0.611 1
1 1050 . 9 1 1 A 89 89 GLU HA H 89 5.293 4.900 0.393 1
1 1055 . 9 1 1 A 89 89 GLU C C 89 175.245 175.040 0.205 1
1 1056 . 9 1 1 A 89 89 GLU CA C 89 53.433 55.095 -1.662 1
1 1057 . 9 1 1 A 89 89 GLU CB C 89 34.566 31.335 3.231 1
1 1059 . 9 1 1 A 89 89 GLU N N 89 121.829 120.580 1.249 1
1 1060 . 9 1 1 A 90 90 ILE H H 90 8.655 8.598 0.057 1
1 1061 . 9 1 1 A 90 90 ILE HA H 90 4.793 4.675 0.118 1
1 1071 . 9 1 1 A 90 90 ILE C C 90 174.808 175.116 -0.308 1
1 1072 . 9 1 1 A 90 90 ILE CA C 90 59.857 60.450 -0.593 1
1 1073 . 9 1 1 A 90 90 ILE CB C 90 41.886 40.069 1.817 1
1 1077 . 9 1 1 A 90 90 ILE N N 90 123.446 126.114 -2.668 1
1 1078 . 9 1 1 A 91 91 ILE H H 91 9.199 8.689 0.510 1
1 1079 . 9 1 1 A 91 91 ILE HA H 91 4.724 4.715 0.009 1
1 1089 . 9 1 1 A 91 91 ILE C C 91 177.898 176.382 1.516 1
1 1090 . 9 1 1 A 91 91 ILE CA C 91 60.211 61.181 -0.970 1
1 1091 . 9 1 1 A 91 91 ILE CB C 91 39.043 37.437 1.606 1
1 1095 . 9 1 1 A 91 91 ILE N N 91 126.827 128.636 -1.809 1
1 1096 . 9 1 1 A 92 92 THR H H 92 9.086 8.316 0.770 1
1 1097 . 9 1 1 A 92 92 THR HA H 92 4.314 4.741 -0.427 1
1 1102 . 9 1 1 A 92 92 THR C C 92 176.857 175.113 1.744 1
1 1103 . 9 1 1 A 92 92 THR CA C 92 61.693 60.327 1.366 1
1 1104 . 9 1 1 A 92 92 THR CB C 92 70.920 70.260 0.660 1
1 1106 . 9 1 1 A 92 92 THR N N 92 117.131 118.259 -1.128 1
1 1107 . 9 1 1 A 93 93 ALA H H 93 9.192 8.776 0.416 1
1 1108 . 9 1 1 A 93 93 ALA HA H 93 4.101 4.055 0.046 1
1 1112 . 9 1 1 A 93 93 ALA C C 93 178.008 177.670 0.338 1
1 1113 . 9 1 1 A 93 93 ALA CA C 93 54.634 54.431 0.203 1
1 1114 . 9 1 1 A 93 93 ALA CB C 93 18.198 18.384 -0.186 1
1 1115 . 9 1 1 A 93 93 ALA N N 93 123.540 123.631 -0.091 1
1 1116 . 9 1 1 A 94 94 ASP H H 94 7.979 7.723 0.256 1
1 1117 . 9 1 1 A 94 94 ASP HA H 94 4.724 4.714 0.010 1
1 1120 . 9 1 1 A 94 94 ASP C C 94 174.324 175.569 -1.245 1
1 1121 . 9 1 1 A 94 94 ASP CA C 94 53.098 53.823 -0.725 1
1 1122 . 9 1 1 A 94 94 ASP CB C 94 39.336 41.008 -1.672 1
1 1123 . 9 1 1 A 94 94 ASP N N 94 113.209 116.237 -3.028 1
1 1124 . 9 1 1 A 95 95 GLU H H 95 8.152 7.893 0.259 1
1 1125 . 9 1 1 A 95 95 GLU HA H 95 3.430 3.802 -0.372 1
1 1130 . 9 1 1 A 95 95 GLU C C 95 174.578 175.437 -0.859 1
1 1131 . 9 1 1 A 95 95 GLU CA C 95 57.687 58.080 -0.393 1
1 1132 . 9 1 1 A 95 95 GLU CB C 95 26.300 27.495 -1.195 1
1 1134 . 9 1 1 A 95 95 GLU N N 95 114.010 114.968 -0.958 1
1 1135 . 9 1 1 A 96 96 VAL H H 96 7.595 7.194 0.401 1
1 1136 . 9 1 1 A 96 96 VAL HA H 96 4.063 3.905 0.158 1
1 1144 . 9 1 1 A 96 96 VAL C C 96 175.293 175.185 0.108 1
1 1145 . 9 1 1 A 96 96 VAL CA C 96 62.751 63.083 -0.332 1
1 1146 . 9 1 1 A 96 96 VAL CB C 96 31.440 31.490 -0.050 1
1 1149 . 9 1 1 A 96 96 VAL N N 96 120.925 120.496 0.429 1
1 1150 . 9 1 1 A 97 97 HIS H H 97 8.603 9.204 -0.601 1
1 1151 . 9 1 1 A 97 97 HIS HA H 97 5.234 5.216 0.018 1
1 1156 . 9 1 1 A 97 97 HIS C C 97 174.348 173.708 0.640 1
1 1157 . 9 1 1 A 97 97 HIS CA C 97 54.404 53.851 0.553 1
1 1158 . 9 1 1 A 97 97 HIS CB C 97 30.536 31.951 -1.415 1
1 1161 . 9 1 1 A 97 97 HIS N N 97 124.160 126.870 -2.710 1
1 1162 . 9 1 1 A 98 98 TYR H H 98 9.267 9.135 0.132 1
1 1163 . 9 1 1 A 98 98 TYR HA H 98 4.532 5.094 -0.562 1
1 1170 . 9 1 1 A 98 98 TYR C C 98 173.621 174.757 -1.136 1
1 1171 . 9 1 1 A 98 98 TYR CA C 98 57.122 56.659 0.463 1
1 1172 . 9 1 1 A 98 98 TYR CB C 98 41.228 41.045 0.183 1
1 1177 . 9 1 1 A 98 98 TYR N N 98 121.543 120.854 0.689 1
1 1178 . 9 1 1 A 99 99 PHE H H 99 8.861 9.273 -0.412 1
1 1179 . 9 1 1 A 99 99 PHE HA H 99 4.983 5.205 -0.222 1
1 1186 . 9 1 1 A 99 99 PHE C C 99 173.754 174.770 -1.016 1
1 1187 . 9 1 1 A 99 99 PHE CA C 99 57.705 56.902 0.803 1
1 1188 . 9 1 1 A 99 99 PHE CB C 99 41.516 39.463 2.053 1
1 1193 . 9 1 1 A 99 99 PHE N N 99 121.699 123.224 -1.525 1
1 1194 . 9 1 1 A 100 100 LEU H H 100 8.529 8.011 0.518 1
1 1195 . 9 1 1 A 100 100 LEU HA H 100 5.345 5.425 -0.080 1
1 1205 . 9 1 1 A 100 100 LEU C C 100 174.942 175.385 -0.443 1
1 1206 . 9 1 1 A 100 100 LEU CA C 100 52.781 52.818 -0.037 1
1 1207 . 9 1 1 A 100 100 LEU CB C 100 44.518 44.018 0.500 1
1 1211 . 9 1 1 A 100 100 LEU N N 100 123.519 125.197 -1.678 1
1 1212 . 9 1 1 A 101 101 GLN H H 101 8.717 8.659 0.058 1
1 1213 . 9 1 1 A 101 101 GLN HA H 101 4.886 5.031 -0.145 1
1 1220 . 9 1 1 A 101 101 GLN C C 101 175.390 174.279 1.111 1
1 1221 . 9 1 1 A 101 101 GLN CA C 101 54.934 54.019 0.915 1
1 1222 . 9 1 1 A 101 101 GLN CB C 101 32.222 31.698 0.524 1
1 1224 . 9 1 1 A 101 101 GLN N N 101 117.786 120.997 -3.211 1
1 1226 . 9 1 1 A 102 102 ALA H H 102 8.256 9.693 -1.437 1
1 1227 . 9 1 1 A 102 102 ALA HA H 102 4.862 4.742 0.120 1
1 1231 . 9 1 1 A 102 102 ALA C C 102 176.008 178.211 -2.203 1
1 1232 . 9 1 1 A 102 102 ALA CA C 102 50.098 51.368 -1.270 1
1 1233 . 9 1 1 A 102 102 ALA CB C 102 21.606 20.579 1.027 1
1 1234 . 9 1 1 A 102 102 ALA N N 102 128.068 129.581 -1.513 1
1 1235 . 9 1 1 A 103 103 ALA H H 103 9.255 8.845 0.410 1
1 1236 . 9 1 1 A 103 103 ALA HA H 103 4.247 4.075 0.172 1
1 1240 . 9 1 1 A 103 103 ALA C C 103 178.153 177.812 0.341 1
1 1241 . 9 1 1 A 103 103 ALA CA C 103 54.369 55.916 -1.547 1
1 1242 . 9 1 1 A 103 103 ALA CB C 103 20.377 18.775 1.602 1
1 1243 . 9 1 1 A 103 103 ALA N N 103 120.410 126.126 -5.716 1
1 1244 . 9 1 1 A 104 104 THR H H 104 7.149 7.826 -0.677 1
1 1245 . 9 1 1 A 104 104 THR HA H 104 4.846 4.689 0.157 1
1 1250 . 9 1 1 A 104 104 THR C C 104 173.354 174.020 -0.666 1
1 1251 . 9 1 1 A 104 104 THR CA C 104 57.810 59.184 -1.374 1
1 1252 . 9 1 1 A 104 104 THR CB C 104 71.496 70.149 1.347 1
1 1254 . 9 1 1 A 104 104 THR N N 104 103.106 109.019 -5.913 1
1 1255 . 9 1 1 A 105 105 PRO HA H 105 4.225 4.608 -0.383 1
1 1262 . 9 1 1 A 105 105 PRO C C 105 179.704 178.016 1.688 1
1 1263 . 9 1 1 A 105 105 PRO CA C 105 65.046 64.251 0.795 1
1 1264 . 9 1 1 A 105 105 PRO CB C 105 31.775 31.807 -0.032 1
1 1267 . 9 1 1 A 106 106 LYS H H 106 7.764 8.004 -0.240 1
1 1268 . 9 1 1 A 106 106 LYS HA H 106 4.036 4.063 -0.027 1
1 1277 . 9 1 1 A 106 106 LYS C C 106 177.959 178.606 -0.647 1
1 1278 . 9 1 1 A 106 106 LYS CA C 106 59.452 59.404 0.048 1
1 1279 . 9 1 1 A 106 106 LYS CB C 106 32.797 32.003 0.794 1
1 1283 . 9 1 1 A 106 106 LYS N N 106 119.261 118.655 0.606 1
1 1284 . 9 1 1 A 107 107 GLU H H 107 8.005 7.825 0.180 1
1 1285 . 9 1 1 A 107 107 GLU HA H 107 4.171 3.997 0.174 1
1 1290 . 9 1 1 A 107 107 GLU C C 107 178.529 178.802 -0.273 1
1 1291 . 9 1 1 A 107 107 GLU CA C 107 59.310 59.525 -0.215 1
1 1292 . 9 1 1 A 107 107 GLU CB C 107 31.111 29.132 1.979 1
1 1294 . 9 1 1 A 107 107 GLU N N 107 119.293 118.969 0.324 1
1 1295 . 9 1 1 A 108 108 ARG H H 108 7.810 7.495 0.315 1
1 1296 . 9 1 1 A 108 108 ARG HA H 108 3.603 4.280 -0.677 1
1 1303 . 9 1 1 A 108 108 ARG C C 108 176.287 178.909 -2.622 1
1 1304 . 9 1 1 A 108 108 ARG CA C 108 60.598 59.003 1.595 1
1 1305 . 9 1 1 A 108 108 ARG CB C 108 29.548 30.179 -0.631 1
1 1308 . 9 1 1 A 108 108 ARG N N 108 118.989 119.457 -0.468 1
1 1309 . 9 1 1 A 109 109 THR H H 109 8.195 8.163 0.032 1
1 1310 . 9 1 1 A 109 109 THR HA H 109 3.645 3.779 -0.134 1
1 1315 . 9 1 1 A 109 109 THR C C 109 176.227 176.655 -0.428 1
1 1316 . 9 1 1 A 109 109 THR CA C 109 67.022 67.392 -0.370 1
1 1317 . 9 1 1 A 109 109 THR CB C 109 68.576 68.012 0.564 1
1 1319 . 9 1 1 A 109 109 THR N N 109 115.975 116.137 -0.162 1
1 1320 . 9 1 1 A 110 110 GLU H H 110 8.274 8.493 -0.219 1
1 1321 . 9 1 1 A 110 110 GLU HA H 110 3.794 3.917 -0.123 1
1 1326 . 9 1 1 A 110 110 GLU C C 110 180.516 179.349 1.167 1
1 1327 . 9 1 1 A 110 110 GLU CA C 110 59.534 59.608 -0.074 1
1 1328 . 9 1 1 A 110 110 GLU CB C 110 29.507 29.069 0.438 1
1 1330 . 9 1 1 A 110 110 GLU N N 110 119.565 119.535 0.030 1
1 1331 . 9 1 1 A 111 111 TRP H H 111 8.316 9.028 -0.712 1
1 1332 . 9 1 1 A 111 111 TRP HA H 111 3.912 4.346 -0.434 1
1 1341 . 9 1 1 A 111 111 TRP C C 111 178.020 178.437 -0.417 1
1 1342 . 9 1 1 A 111 111 TRP CA C 111 62.464 60.175 2.289 1
1 1343 . 9 1 1 A 111 111 TRP CB C 111 29.548 29.344 0.204 1
1 1349 . 9 1 1 A 111 111 TRP N N 111 120.868 120.852 0.016 1
1 1351 . 9 1 1 A 112 112 ILE H H 112 8.271 7.854 0.417 1
1 1352 . 9 1 1 A 112 112 ILE HA H 112 3.254 3.513 -0.259 1
1 1362 . 9 1 1 A 112 112 ILE C C 112 177.669 178.052 -0.383 1
1 1363 . 9 1 1 A 112 112 ILE CA C 112 67.040 64.932 2.108 1
1 1364 . 9 1 1 A 112 112 ILE CB C 112 37.856 37.596 0.260 1
1 1368 . 9 1 1 A 112 112 ILE N N 112 118.862 119.621 -0.759 1
1 1369 . 9 1 1 A 113 113 LYS H H 113 8.042 8.265 -0.223 1
1 1370 . 9 1 1 A 113 113 LYS HA H 113 3.991 4.011 -0.020 1
1 1379 . 9 1 1 A 113 113 LYS C C 113 178.977 179.256 -0.279 1
1 1380 . 9 1 1 A 113 113 LYS CA C 113 59.328 59.295 0.033 1
1 1381 . 9 1 1 A 113 113 LYS CB C 113 32.345 32.136 0.209 1
1 1385 . 9 1 1 A 113 113 LYS N N 113 117.182 119.828 -2.646 1
1 1386 . 9 1 1 A 114 114 ALA H H 114 7.686 8.839 -1.153 1
1 1387 . 9 1 1 A 114 114 ALA HA H 114 4.058 4.040 0.018 1
1 1391 . 9 1 1 A 114 114 ALA C C 114 179.849 179.970 -0.121 1
1 1392 . 9 1 1 A 114 114 ALA CA C 114 55.146 55.145 0.001 1
1 1393 . 9 1 1 A 114 114 ALA CB C 114 18.362 18.667 -0.305 1
1 1394 . 9 1 1 A 114 114 ALA N N 114 120.689 121.944 -1.255 1
1 1395 . 9 1 1 A 115 115 ILE H H 115 8.594 8.961 -0.367 1
1 1396 . 9 1 1 A 115 115 ILE HA H 115 3.534 3.612 -0.078 1
1 1406 . 9 1 1 A 115 115 ILE C C 115 178.432 178.093 0.339 1
1 1407 . 9 1 1 A 115 115 ILE CA C 115 66.016 65.582 0.434 1
1 1408 . 9 1 1 A 115 115 ILE CB C 115 38.390 37.720 0.670 1
1 1412 . 9 1 1 A 115 115 ILE N N 115 118.898 117.960 0.938 1
1 1413 . 9 1 1 A 116 116 GLN H H 116 8.732 8.724 0.008 1
1 1414 . 9 1 1 A 116 116 GLN HA H 116 3.851 4.274 -0.423 1
1 1421 . 9 1 1 A 116 116 GLN C C 116 179.655 178.402 1.253 1
1 1422 . 9 1 1 A 116 116 GLN CA C 116 59.575 59.326 0.249 1
1 1423 . 9 1 1 A 116 116 GLN CB C 116 28.222 28.493 -0.271 1
1 1425 . 9 1 1 A 116 116 GLN N N 116 119.877 118.227 1.650 1
1 1427 . 9 1 1 A 117 117 MET H H 117 8.279 8.288 -0.009 1
1 1428 . 9 1 1 A 117 117 MET HA H 117 4.155 3.970 0.185 1
1 1436 . 9 1 1 A 117 117 MET C C 117 179.123 178.023 1.100 1
1 1437 . 9 1 1 A 117 117 MET CA C 117 58.658 58.535 0.123 1
1 1438 . 9 1 1 A 117 117 MET CB C 117 31.934 32.340 -0.406 1
1 1441 . 9 1 1 A 117 117 MET N N 117 118.855 119.577 -0.722 1
1 1442 . 9 1 1 A 118 118 ALA H H 118 8.266 7.676 0.590 1
1 1443 . 9 1 1 A 118 118 ALA HA H 118 4.240 4.108 0.132 1
1 1447 . 9 1 1 A 118 118 ALA C C 118 178.820 179.588 -0.768 1
1 1448 . 9 1 1 A 118 118 ALA CA C 118 54.604 55.125 -0.521 1
1 1449 . 9 1 1 A 118 118 ALA CB C 118 18.627 18.406 0.221 1
1 1450 . 9 1 1 A 118 118 ALA N N 118 121.702 122.404 -0.702 1
1 1451 . 9 1 1 A 119 119 SER H H 119 8.073 9.036 -0.963 1
1 1452 . 9 1 1 A 119 119 SER HA H 119 4.027 4.299 -0.272 1
1 1455 . 9 1 1 A 119 119 SER C C 119 174.663 175.832 -1.169 1
1 1456 . 9 1 1 A 119 119 SER CA C 119 60.122 61.389 -1.267 1
1 1457 . 9 1 1 A 119 119 SER CB C 119 64.299 62.569 1.730 1
1 1458 . 9 1 1 A 119 119 SER N N 119 110.080 113.041 -2.961 1
1 1459 . 9 1 1 A 120 120 ARG H H 120 7.345 8.401 -1.056 1
1 1460 . 9 1 1 A 120 120 ARG HA H 120 4.383 4.379 0.004 1
1 1467 . 9 1 1 A 120 120 ARG C C 120 176.372 176.613 -0.241 1
1 1468 . 9 1 1 A 120 120 ARG CA C 120 56.681 56.349 0.332 1
1 1469 . 9 1 1 A 120 120 ARG CB C 120 30.248 30.317 -0.069 1
1 1472 . 9 1 1 A 120 120 ARG N N 120 120.244 119.535 0.709 1
1 1473 . 9 1 1 A 121 121 THR H H 121 8.070 8.450 -0.380 1
1 1474 . 9 1 1 A 121 121 THR HA H 121 4.365 3.985 0.380 1
1 1479 . 9 1 1 A 121 121 THR C C 121 175.281 174.708 0.573 1
1 1480 . 9 1 1 A 121 121 THR CA C 121 62.557 65.428 -2.871 1
1 1481 . 9 1 1 A 121 121 THR CB C 121 70.298 68.808 1.490 1
1 1483 . 9 1 1 A 121 121 THR N N 121 114.024 115.262 -1.238 1
1 1484 . 9 1 1 A 122 122 GLY H H 122 8.520 8.373 0.147 1
1 1485 . 9 1 1 A 122 122 GLY HA2 H 122 4.005 3.899 0.106 1
1 1486 . 9 1 1 A 122 122 GLY HA3 H 122 4.005 3.904 0.101 1
1 1487 . 9 1 1 A 122 122 GLY C C 122 174.118 174.484 -0.366 1
1 1488 . 9 1 1 A 122 122 GLY CA C 122 45.351 46.818 -1.467 1
1 1489 . 9 1 1 A 122 122 GLY N N 122 111.123 108.825 2.298 1
1 1490 . 9 1 1 A 123 123 LYS H H 123 8.309 7.741 0.568 1
1 1491 . 9 1 1 A 123 123 LYS HA H 123 4.364 4.575 -0.211 1
1 1500 . 9 1 1 A 123 123 LYS C C 123 176.772 174.634 2.138 1
1 1501 . 9 1 1 A 123 123 LYS CA C 123 56.310 55.176 1.134 1
1 1502 . 9 1 1 A 123 123 LYS CB C 123 33.167 32.710 0.457 1
1 1506 . 9 1 1 A 123 123 LYS N N 123 121.100 120.027 1.073 1
1 1507 . 9 1 1 A 124 124 SER H H 124 8.453 9.082 -0.629 1
1 1508 . 9 1 1 A 124 124 SER HA H 124 4.489 4.949 -0.460 1
1 1509 . 9 1 1 A 124 124 SER C C 124 174.518 173.390 1.128 1
1 1510 . 9 1 1 A 124 124 SER CA C 124 58.357 56.716 1.641 1
1 1511 . 9 1 1 A 124 124 SER CB C 124 64.052 63.930 0.122 1
1 1512 . 9 1 1 A 124 124 SER N N 124 117.316 121.483 -4.167 1
1 1513 . 9 1 1 A 125 125 GLY H H 125 8.278 8.371 -0.093 1
1 1514 . 9 1 1 A 125 125 GLY HA2 H 125 4.154 4.155 -0.001 1
1 1515 . 9 1 1 A 125 125 GLY HA3 H 125 4.102 4.156 -0.054 1
1 1516 . 9 1 1 A 125 125 GLY C C 125 171.827 172.824 -0.997 1
1 1517 . 9 1 1 A 125 125 GLY CA C 125 44.680 45.465 -0.785 1
1 1518 . 9 1 1 A 125 125 GLY N N 125 110.670 114.111 -3.441 1
1 1519 . 9 1 1 A 126 126 PRO HA H 126 4.461 4.655 -0.194 1
1 1526 . 9 1 1 A 126 126 PRO C C 126 177.426 175.744 1.682 1
1 1527 . 9 1 1 A 126 126 PRO CA C 126 63.281 62.735 0.546 1
1 1528 . 9 1 1 A 126 126 PRO CB C 126 32.263 29.211 3.052 1
1 1531 . 9 1 1 A 127 127 SER H H 127 8.556 8.682 -0.126 1
1 1532 . 9 1 1 A 127 127 SER HA H 127 4.489 4.295 0.194 1
1 1535 . 9 1 1 A 127 127 SER C C 127 174.651 174.947 -0.296 1
1 1536 . 9 1 1 A 127 127 SER CA C 127 58.410 59.556 -1.146 1
1 1537 . 9 1 1 A 127 127 SER CB C 127 63.682 62.774 0.908 1
1 1538 . 9 1 1 A 127 127 SER N N 127 116.423 119.295 -2.872 1
1 1539 . 9 1 1 A 128 128 SER H H 128 8.313 9.166 -0.853 1
1 1540 . 9 1 1 A 128 128 SER HA H 128 4.489 4.062 0.427 1
1 1543 . 9 1 1 A 128 128 SER C C 128 173.936 174.543 -0.607 1
1 1544 . 9 1 1 A 128 128 SER CA C 128 58.393 61.227 -2.834 1
1 1545 . 9 1 1 A 128 128 SER CB C 128 64.052 61.651 2.401 1
1 1546 . 9 1 1 A 128 128 SER N N 128 117.750 118.982 -1.232 1
1 1 . 10 1 1 A 6 6 SER HA H 6 4.475 5.191 -0.716 1
1 4 . 10 1 1 A 6 6 SER C C 6 174.978 173.193 1.785 1
1 5 . 10 1 1 A 6 6 SER CA C 6 58.657 56.668 1.989 1
1 6 . 10 1 1 A 6 6 SER CB C 6 63.682 66.500 -2.818 1
1 7 . 10 1 1 A 7 7 GLY H H 7 8.385 8.326 0.059 1
1 8 . 10 1 1 A 7 7 GLY HA2 H 7 3.947 4.201 -0.254 1
1 9 . 10 1 1 A 7 7 GLY HA3 H 7 3.947 4.206 -0.259 1
1 10 . 10 1 1 A 7 7 GLY C C 7 173.900 172.490 1.410 1
1 11 . 10 1 1 A 7 7 GLY CA C 7 45.280 46.096 -0.816 1
1 12 . 10 1 1 A 7 7 GLY N N 7 110.753 108.063 2.690 1
1 13 . 10 1 1 A 8 8 VAL H H 8 7.896 8.012 -0.116 1
1 14 . 10 1 1 A 8 8 VAL HA H 8 4.046 4.773 -0.727 1
1 22 . 10 1 1 A 8 8 VAL C C 8 175.948 174.528 1.420 1
1 23 . 10 1 1 A 8 8 VAL CA C 8 62.399 59.402 2.997 1
1 24 . 10 1 1 A 8 8 VAL CB C 8 32.904 35.438 -2.534 1
1 27 . 10 1 1 A 8 8 VAL N N 8 119.771 118.738 1.033 1
1 28 . 10 1 1 A 9 9 ILE H H 9 8.253 8.514 -0.261 1
1 29 . 10 1 1 A 9 9 ILE HA H 9 4.103 4.102 0.001 1
1 39 . 10 1 1 A 9 9 ILE C C 9 175.984 175.420 0.564 1
1 40 . 10 1 1 A 9 9 ILE CA C 9 60.657 62.203 -1.546 1
1 41 . 10 1 1 A 9 9 ILE CB C 9 38.349 38.013 0.336 1
1 45 . 10 1 1 A 9 9 ILE N N 9 125.791 124.667 1.124 1
1 46 . 10 1 1 A 10 10 LEU H H 10 8.374 8.582 -0.208 1
1 47 . 10 1 1 A 10 10 LEU HA H 10 4.379 4.973 -0.594 1
1 57 . 10 1 1 A 10 10 LEU C C 10 177.171 174.944 2.227 1
1 58 . 10 1 1 A 10 10 LEU CA C 10 54.598 53.368 1.230 1
1 59 . 10 1 1 A 10 10 LEU CB C 10 42.873 46.419 -3.546 1
1 63 . 10 1 1 A 10 10 LEU N N 10 127.929 127.858 0.071 1
1 64 . 10 1 1 A 11 11 LYS H H 11 8.414 8.624 -0.210 1
1 65 . 10 1 1 A 11 11 LYS HA H 11 4.214 4.580 -0.366 1
1 74 . 10 1 1 A 11 11 LYS C C 11 177.244 177.414 -0.170 1
1 75 . 10 1 1 A 11 11 LYS CA C 11 57.051 55.317 1.734 1
1 76 . 10 1 1 A 11 11 LYS CB C 11 33.332 34.057 -0.725 1
1 80 . 10 1 1 A 11 11 LYS N N 11 123.211 124.404 -1.193 1
1 81 . 10 1 1 A 12 12 GLU H H 12 8.629 8.670 -0.041 1
1 82 . 10 1 1 A 12 12 GLU HA H 12 3.745 4.529 -0.784 1
1 87 . 10 1 1 A 12 12 GLU C C 12 177.366 178.884 -1.518 1
1 88 . 10 1 1 A 12 12 GLU CA C 12 59.663 58.109 1.554 1
1 89 . 10 1 1 A 12 12 GLU CB C 12 29.672 30.666 -0.994 1
1 91 . 10 1 1 A 12 12 GLU N N 12 122.998 121.345 1.653 1
1 92 . 10 1 1 A 13 13 GLU H H 13 8.043 8.509 -0.466 1
1 93 . 10 1 1 A 13 13 GLU HA H 13 3.333 4.228 -0.895 1
1 98 . 10 1 1 A 13 13 GLU C C 13 175.451 178.159 -2.708 1
1 99 . 10 1 1 A 13 13 GLU CA C 13 57.634 58.702 -1.068 1
1 100 . 10 1 1 A 13 13 GLU CB C 13 28.567 28.635 -0.068 1
1 102 . 10 1 1 A 13 13 GLU N N 13 113.498 118.566 -5.068 1
1 103 . 10 1 1 A 14 14 PHE H H 14 7.483 7.834 -0.351 1
1 104 . 10 1 1 A 14 14 PHE HA H 14 4.650 4.363 0.287 1
1 112 . 10 1 1 A 14 14 PHE C C 14 175.657 177.980 -2.323 1
1 113 . 10 1 1 A 14 14 PHE CA C 14 56.187 60.418 -4.231 1
1 114 . 10 1 1 A 14 14 PHE CB C 14 39.665 39.541 0.124 1
1 120 . 10 1 1 A 14 14 PHE N N 14 115.879 118.162 -2.283 1
1 121 . 10 1 1 A 15 15 ARG H H 15 7.757 8.230 -0.473 1
1 122 . 10 1 1 A 15 15 ARG HA H 15 4.154 4.030 0.124 1
1 129 . 10 1 1 A 15 15 ARG C C 15 177.353 178.040 -0.687 1
1 130 . 10 1 1 A 15 15 ARG CA C 15 58.092 59.088 -0.996 1
1 131 . 10 1 1 A 15 15 ARG CB C 15 31.193 29.933 1.260 1
1 134 . 10 1 1 A 15 15 ARG N N 15 118.945 119.250 -0.305 1
1 135 . 10 1 1 A 16 16 GLY H H 16 8.812 7.871 0.941 1
1 136 . 10 1 1 A 16 16 GLY HA2 H 16 4.194 4.095 0.099 1
1 137 . 10 1 1 A 16 16 GLY HA3 H 16 3.824 4.105 -0.281 1
1 138 . 10 1 1 A 16 16 GLY C C 16 173.427 172.697 0.730 1
1 139 . 10 1 1 A 16 16 GLY CA C 16 45.157 44.473 0.684 1
1 140 . 10 1 1 A 16 16 GLY N N 16 109.133 108.573 0.560 1
1 141 . 10 1 1 A 17 17 VAL H H 17 8.308 8.347 -0.039 1
1 142 . 10 1 1 A 17 17 VAL HA H 17 4.060 4.789 -0.729 1
1 150 . 10 1 1 A 17 17 VAL C C 17 176.469 174.241 2.228 1
1 151 . 10 1 1 A 17 17 VAL CA C 17 62.098 59.128 2.970 1
1 152 . 10 1 1 A 17 17 VAL CB C 17 33.414 35.463 -2.049 1
1 155 . 10 1 1 A 17 17 VAL N N 17 120.815 118.325 2.490 1
1 156 . 10 1 1 A 18 18 ILE H H 18 8.547 8.863 -0.316 1
1 157 . 10 1 1 A 18 18 ILE HA H 18 4.186 4.972 -0.786 1
1 167 . 10 1 1 A 18 18 ILE C C 18 177.208 176.569 0.639 1
1 168 . 10 1 1 A 18 18 ILE CA C 18 63.175 59.822 3.353 1
1 169 . 10 1 1 A 18 18 ILE CB C 18 38.596 40.356 -1.760 1
1 173 . 10 1 1 A 18 18 ILE N N 18 125.006 123.428 1.578 1
1 174 . 10 1 1 A 19 19 ILE H H 19 9.127 8.621 0.506 1
1 175 . 10 1 1 A 19 19 ILE HA H 19 4.461 4.454 0.007 1
1 185 . 10 1 1 A 19 19 ILE C C 19 176.081 175.884 0.197 1
1 186 . 10 1 1 A 19 19 ILE CA C 19 60.298 61.264 -0.966 1
1 187 . 10 1 1 A 19 19 ILE CB C 19 39.665 39.730 -0.065 1
1 191 . 10 1 1 A 19 19 ILE N N 19 124.358 120.401 3.957 1
1 192 . 10 1 1 A 20 20 LYS H H 20 7.620 7.637 -0.017 1
1 193 . 10 1 1 A 20 20 LYS HA H 20 4.325 4.655 -0.330 1
1 202 . 10 1 1 A 20 20 LYS C C 20 172.760 174.289 -1.529 1
1 203 . 10 1 1 A 20 20 LYS CA C 20 57.298 55.760 1.538 1
1 204 . 10 1 1 A 20 20 LYS CB C 20 36.458 35.840 0.618 1
1 208 . 10 1 1 A 20 20 LYS N N 20 121.749 121.675 0.074 1
1 209 . 10 1 1 A 21 21 GLN H H 21 8.572 8.718 -0.146 1
1 210 . 10 1 1 A 21 21 GLN HA H 21 5.927 5.820 0.107 1
1 217 . 10 1 1 A 21 21 GLN C C 21 175.124 174.342 0.782 1
1 218 . 10 1 1 A 21 21 GLN CA C 21 54.227 54.478 -0.251 1
1 219 . 10 1 1 A 21 21 GLN CB C 21 33.369 33.272 0.097 1
1 221 . 10 1 1 A 21 21 GLN N N 21 121.653 123.715 -2.062 1
1 223 . 10 1 1 A 22 22 GLY H H 22 9.178 8.706 0.472 1
1 224 . 10 1 1 A 22 22 GLY HA2 H 22 4.904 4.347 0.557 1
1 225 . 10 1 1 A 22 22 GLY HA3 H 22 4.447 4.408 0.039 1
1 226 . 10 1 1 A 22 22 GLY C C 22 172.300 172.330 -0.030 1
1 227 . 10 1 1 A 22 22 GLY CA C 22 45.650 46.335 -0.685 1
1 228 . 10 1 1 A 22 22 GLY N N 22 108.544 106.059 2.485 1
1 229 . 10 1 1 A 23 23 CYS H H 23 9.262 8.805 0.457 1
1 230 . 10 1 1 A 23 23 CYS HA H 23 5.904 5.807 0.097 1
1 233 . 10 1 1 A 23 23 CYS C C 23 175.293 173.929 1.364 1
1 234 . 10 1 1 A 23 23 CYS CA C 23 59.222 57.675 1.547 1
1 235 . 10 1 1 A 23 23 CYS CB C 23 29.260 29.661 -0.401 1
1 236 . 10 1 1 A 23 23 CYS N N 23 118.575 119.741 -1.166 1
1 237 . 10 1 1 A 24 24 LEU H H 24 9.131 9.728 -0.597 1
1 238 . 10 1 1 A 24 24 LEU HA H 24 4.627 4.883 -0.256 1
1 248 . 10 1 1 A 24 24 LEU C C 24 175.354 175.562 -0.208 1
1 249 . 10 1 1 A 24 24 LEU CA C 24 53.963 53.678 0.285 1
1 250 . 10 1 1 A 24 24 LEU CB C 24 47.315 45.740 1.575 1
1 254 . 10 1 1 A 24 24 LEU N N 24 122.880 123.112 -0.232 1
1 255 . 10 1 1 A 25 25 LEU H H 25 7.968 8.997 -1.029 1
1 256 . 10 1 1 A 25 25 LEU HA H 25 5.056 5.008 0.048 1
1 266 . 10 1 1 A 25 25 LEU C C 25 175.766 175.074 0.692 1
1 267 . 10 1 1 A 25 25 LEU CA C 25 54.810 54.185 0.625 1
1 268 . 10 1 1 A 25 25 LEU CB C 25 44.065 42.157 1.908 1
1 272 . 10 1 1 A 25 25 LEU N N 25 119.755 123.015 -3.260 1
1 273 . 10 1 1 A 26 26 LYS H H 26 9.307 8.641 0.666 1
1 274 . 10 1 1 A 26 26 LYS HA H 26 5.166 4.748 0.418 1
1 283 . 10 1 1 A 26 26 LYS C C 26 175.778 176.017 -0.239 1
1 284 . 10 1 1 A 26 26 LYS CA C 26 54.687 55.480 -0.793 1
1 285 . 10 1 1 A 26 26 LYS CB C 26 37.033 33.801 3.232 1
1 289 . 10 1 1 A 26 26 LYS N N 26 122.635 126.307 -3.672 1
1 290 . 10 1 1 A 27 27 GLN H H 27 8.228 8.152 0.076 1
1 291 . 10 1 1 A 27 27 GLN HA H 27 3.839 4.375 -0.536 1
1 298 . 10 1 1 A 27 27 GLN C C 27 176.869 175.736 1.133 1
1 299 . 10 1 1 A 27 27 GLN CA C 27 55.922 55.088 0.834 1
1 300 . 10 1 1 A 27 27 GLN CB C 27 29.589 29.897 -0.308 1
1 302 . 10 1 1 A 27 27 GLN N N 27 132.145 126.969 5.176 1
1 304 . 10 1 1 A 28 28 GLY H H 28 8.434 8.080 0.354 1
1 305 . 10 1 1 A 28 28 GLY HA2 H 28 4.144 4.020 0.124 1
1 306 . 10 1 1 A 28 28 GLY HA3 H 28 3.999 4.022 -0.023 1
1 307 . 10 1 1 A 28 28 GLY CA C 28 45.457 44.746 0.711 1
1 308 . 10 1 1 A 28 28 GLY N N 28 114.691 108.510 6.181 1
1 309 . 10 1 1 A 29 29 HIS HA H 29 4.352 4.758 -0.406 1
1 314 . 10 1 1 A 29 29 HIS CA C 29 58.505 56.819 1.686 1
1 315 . 10 1 1 A 29 29 HIS CB C 29 30.967 31.532 -0.565 1
1 318 . 10 1 1 A 30 30 ARG HA H 30 4.114 3.731 0.383 1
1 325 . 10 1 1 A 30 30 ARG CA C 30 56.429 59.309 -2.880 1
1 326 . 10 1 1 A 30 30 ARG CB C 30 29.591 29.785 -0.194 1
1 329 . 10 1 1 A 31 31 ARG HA H 31 3.774 4.202 -0.428 1
1 336 . 10 1 1 A 31 31 ARG C C 31 175.536 176.692 -1.156 1
1 337 . 10 1 1 A 31 31 ARG CA C 31 55.922 56.629 -0.707 1
1 338 . 10 1 1 A 31 31 ARG CB C 31 29.302 30.582 -1.280 1
1 341 . 10 1 1 A 32 32 LYS H H 32 8.011 8.624 -0.613 1
1 342 . 10 1 1 A 32 32 LYS HA H 32 4.164 4.100 0.064 1
1 351 . 10 1 1 A 32 32 LYS C C 32 175.741 177.607 -1.866 1
1 352 . 10 1 1 A 32 32 LYS CA C 32 56.239 58.828 -2.589 1
1 353 . 10 1 1 A 32 32 LYS CB C 32 32.016 32.302 -0.286 1
1 357 . 10 1 1 A 32 32 LYS N N 32 117.463 122.985 -5.522 1
1 358 . 10 1 1 A 33 33 ASN H H 33 7.870 8.115 -0.245 1
1 359 . 10 1 1 A 33 33 ASN HA H 33 4.807 4.982 -0.175 1
1 364 . 10 1 1 A 33 33 ASN C C 33 173.681 174.614 -0.933 1
1 365 . 10 1 1 A 33 33 ASN CA C 33 52.551 52.742 -0.191 1
1 366 . 10 1 1 A 33 33 ASN CB C 33 39.830 40.010 -0.180 1
1 367 . 10 1 1 A 33 33 ASN N N 33 117.522 115.873 1.649 1
1 369 . 10 1 1 A 34 34 TRP H H 34 8.704 9.082 -0.378 1
1 370 . 10 1 1 A 34 34 TRP HA H 34 4.807 5.146 -0.339 1
1 379 . 10 1 1 A 34 34 TRP C C 34 176.129 176.115 0.014 1
1 380 . 10 1 1 A 34 34 TRP CA C 34 56.540 56.965 -0.425 1
1 381 . 10 1 1 A 34 34 TRP CB C 34 31.399 31.973 -0.574 1
1 387 . 10 1 1 A 34 34 TRP N N 34 121.620 119.867 1.753 1
1 389 . 10 1 1 A 35 35 LYS H H 35 8.457 8.782 -0.325 1
1 390 . 10 1 1 A 35 35 LYS HA H 35 4.876 4.982 -0.106 1
1 399 . 10 1 1 A 35 35 LYS C C 35 176.081 175.867 0.214 1
1 400 . 10 1 1 A 35 35 LYS CA C 35 54.298 54.972 -0.674 1
1 401 . 10 1 1 A 35 35 LYS CB C 35 36.498 35.389 1.109 1
1 405 . 10 1 1 A 35 35 LYS N N 35 120.816 119.292 1.524 1
1 406 . 10 1 1 A 36 36 VAL H H 36 8.974 8.918 0.056 1
1 407 . 10 1 1 A 36 36 VAL HA H 36 4.254 4.336 -0.082 1
1 415 . 10 1 1 A 36 36 VAL C C 36 176.808 175.744 1.064 1
1 416 . 10 1 1 A 36 36 VAL CA C 36 63.828 63.447 0.381 1
1 417 . 10 1 1 A 36 36 VAL CB C 36 31.687 32.216 -0.529 1
1 420 . 10 1 1 A 36 36 VAL N N 36 123.825 124.900 -1.075 1
1 421 . 10 1 1 A 37 37 ARG H H 37 9.327 8.814 0.513 1
1 422 . 10 1 1 A 37 37 ARG HA H 37 4.930 5.015 -0.085 1
1 427 . 10 1 1 A 37 37 ARG C C 37 173.815 174.496 -0.681 1
1 428 . 10 1 1 A 37 37 ARG CA C 37 54.351 54.440 -0.089 1
1 429 . 10 1 1 A 37 37 ARG CB C 37 34.709 34.707 0.002 1
1 432 . 10 1 1 A 37 37 ARG N N 37 128.926 125.491 3.435 1
1 433 . 10 1 1 A 38 38 LYS H H 38 8.714 8.620 0.094 1
1 434 . 10 1 1 A 38 38 LYS HA H 38 4.959 5.460 -0.501 1
1 443 . 10 1 1 A 38 38 LYS C C 38 175.075 174.960 0.115 1
1 444 . 10 1 1 A 38 38 LYS CA C 38 55.869 55.115 0.754 1
1 445 . 10 1 1 A 38 38 LYS CB C 38 34.072 34.463 -0.391 1
1 449 . 10 1 1 A 38 38 LYS N N 38 121.669 122.768 -1.099 1
1 450 . 10 1 1 A 39 39 PHE H H 39 9.751 10.365 -0.614 1
1 451 . 10 1 1 A 39 39 PHE HA H 39 5.591 5.203 0.388 1
1 459 . 10 1 1 A 39 39 PHE C C 39 175.414 174.809 0.605 1
1 460 . 10 1 1 A 39 39 PHE CA C 39 57.474 56.784 0.690 1
1 461 . 10 1 1 A 39 39 PHE CB C 39 42.667 41.374 1.293 1
1 467 . 10 1 1 A 39 39 PHE N N 39 127.216 124.005 3.211 1
1 468 . 10 1 1 A 40 40 ILE H H 40 9.246 10.603 -1.357 1
1 469 . 10 1 1 A 40 40 ILE HA H 40 4.864 5.132 -0.268 1
1 479 . 10 1 1 A 40 40 ILE C C 40 174.724 174.391 0.333 1
1 480 . 10 1 1 A 40 40 ILE CA C 40 62.134 60.235 1.899 1
1 481 . 10 1 1 A 40 40 ILE CB C 40 41.022 39.600 1.422 1
1 485 . 10 1 1 A 40 40 ILE N N 40 119.337 124.331 -4.994 1
1 486 . 10 1 1 A 41 41 LEU H H 41 9.549 9.182 0.367 1
1 487 . 10 1 1 A 41 41 LEU HA H 41 5.485 5.343 0.142 1
1 497 . 10 1 1 A 41 41 LEU C C 41 174.457 175.211 -0.754 1
1 498 . 10 1 1 A 41 41 LEU CA C 41 54.004 53.703 0.301 1
1 499 . 10 1 1 A 41 41 LEU CB C 41 45.299 45.529 -0.230 1
1 503 . 10 1 1 A 41 41 LEU N N 41 132.451 130.867 1.584 1
1 504 . 10 1 1 A 42 42 ARG H H 42 9.383 9.144 0.239 1
1 505 . 10 1 1 A 42 42 ARG HA H 42 5.492 5.116 0.376 1
1 513 . 10 1 1 A 42 42 ARG C C 42 174.893 175.293 -0.400 1
1 514 . 10 1 1 A 42 42 ARG CA C 42 54.421 54.552 -0.131 1
1 515 . 10 1 1 A 42 42 ARG CB C 42 35.470 33.559 1.911 1
1 518 . 10 1 1 A 42 42 ARG N N 42 128.467 124.567 3.900 1
1 520 . 10 1 1 A 43 43 GLU H H 43 8.259 8.615 -0.356 1
1 521 . 10 1 1 A 43 43 GLU HA H 43 4.366 4.754 -0.388 1
1 526 . 10 1 1 A 43 43 GLU C C 43 174.893 175.824 -0.931 1
1 527 . 10 1 1 A 43 43 GLU CA C 43 54.898 55.673 -0.775 1
1 528 . 10 1 1 A 43 43 GLU CB C 43 33.102 30.987 2.115 1
1 530 . 10 1 1 A 43 43 GLU N N 43 115.434 121.064 -5.630 1
1 531 . 10 1 1 A 44 44 ASP H H 44 7.870 9.030 -1.160 1
1 532 . 10 1 1 A 44 44 ASP HA H 44 4.433 4.265 0.168 1
1 535 . 10 1 1 A 44 44 ASP C C 44 172.991 174.224 -1.233 1
1 536 . 10 1 1 A 44 44 ASP CA C 44 53.892 54.954 -1.062 1
1 537 . 10 1 1 A 44 44 ASP CB C 44 41.146 39.673 1.473 1
1 538 . 10 1 1 A 44 44 ASP N N 44 114.444 120.291 -5.847 1
1 539 . 10 1 1 A 45 45 PRO HA H 45 4.710 4.557 0.153 1
1 546 . 10 1 1 A 45 45 PRO C C 45 176.747 175.339 1.408 1
1 547 . 10 1 1 A 45 45 PRO CA C 45 63.246 62.608 0.638 1
1 548 . 10 1 1 A 45 45 PRO CB C 45 34.977 32.664 2.313 1
1 551 . 10 1 1 A 46 46 ALA H H 46 8.356 8.231 0.125 1
1 552 . 10 1 1 A 46 46 ALA HA H 46 5.049 4.983 0.066 1
1 556 . 10 1 1 A 46 46 ALA C C 46 175.499 176.326 -0.827 1
1 557 . 10 1 1 A 46 46 ALA CA C 46 51.545 50.577 0.968 1
1 558 . 10 1 1 A 46 46 ALA CB C 46 19.655 19.584 0.071 1
1 559 . 10 1 1 A 46 46 ALA N N 46 122.969 123.318 -0.349 1
1 560 . 10 1 1 A 47 47 TYR H H 47 8.047 9.262 -1.215 1
1 561 . 10 1 1 A 47 47 TYR HA H 47 5.097 5.149 -0.052 1
1 568 . 10 1 1 A 47 47 TYR C C 47 173.730 174.380 -0.650 1
1 569 . 10 1 1 A 47 47 TYR CA C 47 57.563 56.333 1.230 1
1 570 . 10 1 1 A 47 47 TYR CB C 47 45.711 43.122 2.589 1
1 575 . 10 1 1 A 47 47 TYR N N 47 126.550 120.860 5.690 1
1 576 . 10 1 1 A 48 48 LEU H H 48 8.776 8.572 0.204 1
1 577 . 10 1 1 A 48 48 LEU HA H 48 5.578 5.238 0.340 1
1 587 . 10 1 1 A 48 48 LEU C C 48 175.039 174.586 0.453 1
1 588 . 10 1 1 A 48 48 LEU CA C 48 53.134 53.674 -0.540 1
1 589 . 10 1 1 A 48 48 LEU CB C 48 46.369 45.006 1.363 1
1 593 . 10 1 1 A 48 48 LEU N N 48 120.864 122.944 -2.080 1
1 594 . 10 1 1 A 49 49 HIS H H 49 8.974 9.277 -0.303 1
1 595 . 10 1 1 A 49 49 HIS HA H 49 5.181 4.915 0.266 1
1 600 . 10 1 1 A 49 49 HIS C C 49 174.712 173.698 1.014 1
1 601 . 10 1 1 A 49 49 HIS CA C 49 57.916 53.728 4.188 1
1 602 . 10 1 1 A 49 49 HIS CB C 49 35.347 31.796 3.551 1
1 605 . 10 1 1 A 49 49 HIS N N 49 124.417 126.303 -1.886 1
1 606 . 10 1 1 A 50 50 TYR H H 50 7.348 7.971 -0.623 1
1 607 . 10 1 1 A 50 50 TYR HA H 50 5.909 5.711 0.198 1
1 614 . 10 1 1 A 50 50 TYR C C 50 174.239 173.443 0.796 1
1 615 . 10 1 1 A 50 50 TYR CA C 50 53.610 55.035 -1.425 1
1 616 . 10 1 1 A 50 50 TYR CB C 50 40.077 40.614 -0.537 1
1 621 . 10 1 1 A 50 50 TYR N N 50 114.323 118.777 -4.454 1
1 622 . 10 1 1 A 51 51 TYR H H 51 9.230 9.308 -0.078 1
1 623 . 10 1 1 A 51 51 TYR HA H 51 4.555 5.013 -0.458 1
1 630 . 10 1 1 A 51 51 TYR C C 51 175.572 174.838 0.734 1
1 631 . 10 1 1 A 51 51 TYR CA C 51 57.175 56.714 0.461 1
1 632 . 10 1 1 A 51 51 TYR CB C 51 42.709 41.917 0.792 1
1 637 . 10 1 1 A 51 51 TYR N N 51 117.695 121.783 -4.088 1
1 638 . 10 1 1 A 52 52 ASP H H 52 9.390 8.668 0.722 1
1 639 . 10 1 1 A 52 52 ASP HA H 52 4.937 4.823 0.114 1
1 642 . 10 1 1 A 52 52 ASP CA C 52 52.057 52.248 -0.191 1
1 643 . 10 1 1 A 52 52 ASP CB C 52 42.197 41.511 0.686 1
1 644 . 10 1 1 A 52 52 ASP N N 52 123.964 123.228 0.736 1
1 645 . 10 1 1 A 53 53 PRO HA H 53 4.274 4.391 -0.117 1
1 652 . 10 1 1 A 53 53 PRO C C 53 176.360 178.542 -2.182 1
1 653 . 10 1 1 A 53 53 PRO CA C 53 64.728 65.880 -1.152 1
1 654 . 10 1 1 A 53 53 PRO CB C 53 32.016 31.856 0.160 1
1 657 . 10 1 1 A 54 54 ALA H H 54 8.384 8.396 -0.012 1
1 658 . 10 1 1 A 54 54 ALA HA H 54 4.492 4.106 0.386 1
1 662 . 10 1 1 A 54 54 ALA C C 54 177.620 177.938 -0.318 1
1 663 . 10 1 1 A 54 54 ALA CA C 54 52.022 54.255 -2.233 1
1 664 . 10 1 1 A 54 54 ALA CB C 54 19.202 19.281 -0.079 1
1 665 . 10 1 1 A 54 54 ALA N N 54 120.140 119.305 0.835 1
1 666 . 10 1 1 A 55 55 GLY H H 55 7.710 8.265 -0.555 1
1 667 . 10 1 1 A 55 55 GLY HA2 H 55 4.194 4.039 0.155 1
1 668 . 10 1 1 A 55 55 GLY HA3 H 55 3.833 4.043 -0.210 1
1 669 . 10 1 1 A 55 55 GLY C C 55 173.524 171.498 2.026 1
1 670 . 10 1 1 A 55 55 GLY CA C 55 45.421 45.570 -0.149 1
1 671 . 10 1 1 A 55 55 GLY N N 55 107.828 102.738 5.090 1
1 672 . 10 1 1 A 56 56 ALA H H 56 8.339 8.379 -0.040 1
1 673 . 10 1 1 A 56 56 ALA HA H 56 4.378 4.823 -0.445 1
1 677 . 10 1 1 A 56 56 ALA C C 56 177.741 176.072 1.669 1
1 678 . 10 1 1 A 56 56 ALA CA C 56 52.410 51.384 1.026 1
1 679 . 10 1 1 A 56 56 ALA CB C 56 19.843 23.032 -3.189 1
1 680 . 10 1 1 A 56 56 ALA N N 56 125.269 122.279 2.990 1
1 681 . 10 1 1 A 57 57 GLU H H 57 8.567 8.705 -0.138 1
1 682 . 10 1 1 A 57 57 GLU HA H 57 4.160 4.555 -0.395 1
1 687 . 10 1 1 A 57 57 GLU C C 57 176.335 175.638 0.697 1
1 688 . 10 1 1 A 57 57 GLU CA C 57 57.616 57.475 0.141 1
1 689 . 10 1 1 A 57 57 GLU CB C 57 30.083 32.274 -2.191 1
1 691 . 10 1 1 A 57 57 GLU N N 57 119.341 116.542 2.799 1
1 692 . 10 1 1 A 58 58 ASP H H 58 7.718 7.804 -0.086 1
1 693 . 10 1 1 A 58 58 ASP HA H 58 5.010 4.835 0.175 1
1 696 . 10 1 1 A 58 58 ASP C C 58 173.209 175.365 -2.156 1
1 697 . 10 1 1 A 58 58 ASP CA C 58 52.128 52.620 -0.492 1
1 698 . 10 1 1 A 58 58 ASP CB C 58 40.981 40.913 0.068 1
1 699 . 10 1 1 A 58 58 ASP N N 58 118.499 117.351 1.148 1
1 700 . 10 1 1 A 59 59 PRO HA H 59 3.493 4.201 -0.708 1
1 707 . 10 1 1 A 59 59 PRO C C 59 177.111 177.663 -0.552 1
1 708 . 10 1 1 A 59 59 PRO CA C 59 63.069 62.434 0.635 1
1 709 . 10 1 1 A 59 59 PRO CB C 59 31.229 31.825 -0.596 1
1 712 . 10 1 1 A 60 60 LEU H H 60 8.770 8.051 0.719 1
1 713 . 10 1 1 A 60 60 LEU HA H 60 4.114 3.953 0.161 1
1 723 . 10 1 1 A 60 60 LEU C C 60 177.268 176.522 0.746 1
1 724 . 10 1 1 A 60 60 LEU CA C 60 55.181 56.583 -1.402 1
1 725 . 10 1 1 A 60 60 LEU CB C 60 42.750 42.619 0.131 1
1 729 . 10 1 1 A 60 60 LEU N N 60 121.907 120.320 1.587 1
1 730 . 10 1 1 A 61 61 GLY H H 61 6.472 6.588 -0.116 1
1 731 . 10 1 1 A 61 61 GLY HA2 H 61 3.798 3.876 -0.078 1
1 732 . 10 1 1 A 61 61 GLY HA3 H 61 3.382 3.914 -0.532 1
1 733 . 10 1 1 A 61 61 GLY C C 61 169.367 171.140 -1.773 1
1 734 . 10 1 1 A 61 61 GLY CA C 61 45.033 45.597 -0.564 1
1 735 . 10 1 1 A 61 61 GLY N N 61 103.740 103.465 0.275 1
1 736 . 10 1 1 A 62 62 ALA H H 62 8.024 8.284 -0.260 1
1 737 . 10 1 1 A 62 62 ALA HA H 62 4.644 4.875 -0.231 1
1 741 . 10 1 1 A 62 62 ALA C C 62 176.226 175.616 0.610 1
1 742 . 10 1 1 A 62 62 ALA CA C 62 50.839 51.425 -0.586 1
1 743 . 10 1 1 A 62 62 ALA CB C 62 23.914 22.346 1.568 1
1 744 . 10 1 1 A 62 62 ALA N N 62 120.249 121.075 -0.826 1
1 745 . 10 1 1 A 63 63 ILE H H 63 8.810 8.721 0.089 1
1 746 . 10 1 1 A 63 63 ILE HA H 63 4.119 4.752 -0.633 1
1 756 . 10 1 1 A 63 63 ILE C C 63 174.724 175.235 -0.511 1
1 757 . 10 1 1 A 63 63 ILE CA C 63 60.757 60.274 0.483 1
1 758 . 10 1 1 A 63 63 ILE CB C 63 40.319 39.391 0.928 1
1 762 . 10 1 1 A 63 63 ILE N N 63 122.110 121.892 0.218 1
1 763 . 10 1 1 A 64 64 HIS H H 64 9.073 9.082 -0.009 1
1 764 . 10 1 1 A 64 64 HIS HA H 64 3.948 4.667 -0.719 1
1 769 . 10 1 1 A 64 64 HIS C C 64 176.529 175.403 1.126 1
1 770 . 10 1 1 A 64 64 HIS CA C 64 54.951 57.278 -2.327 1
1 771 . 10 1 1 A 64 64 HIS CB C 64 30.494 30.888 -0.394 1
1 774 . 10 1 1 A 64 64 HIS N N 64 129.092 127.982 1.110 1
1 775 . 10 1 1 A 65 65 LEU H H 65 7.770 8.065 -0.295 1
1 776 . 10 1 1 A 65 65 LEU HA H 65 4.074 4.566 -0.492 1
1 786 . 10 1 1 A 65 65 LEU C C 65 176.808 176.988 -0.180 1
1 787 . 10 1 1 A 65 65 LEU CA C 65 54.951 54.474 0.477 1
1 788 . 10 1 1 A 65 65 LEU CB C 65 42.667 42.349 0.318 1
1 792 . 10 1 1 A 65 65 LEU N N 65 124.760 128.172 -3.412 1
1 793 . 10 1 1 A 66 66 ARG H H 66 6.515 7.566 -1.051 1
1 794 . 10 1 1 A 66 66 ARG HA H 66 4.085 3.906 0.179 1
1 801 . 10 1 1 A 66 66 ARG C C 66 178.638 176.839 1.799 1
1 802 . 10 1 1 A 66 66 ARG CA C 66 58.092 57.470 0.622 1
1 803 . 10 1 1 A 66 66 ARG CB C 66 29.525 29.048 0.477 1
1 806 . 10 1 1 A 66 66 ARG N N 66 120.462 119.544 0.918 1
1 807 . 10 1 1 A 67 67 GLY H H 67 9.300 7.244 2.056 1
1 808 . 10 1 1 A 67 67 GLY HA2 H 67 4.045 4.000 0.045 1
1 809 . 10 1 1 A 67 67 GLY HA3 H 67 3.826 4.013 -0.187 1
1 810 . 10 1 1 A 67 67 GLY C C 67 173.996 173.885 0.111 1
1 811 . 10 1 1 A 67 67 GLY CA C 67 46.162 45.643 0.519 1
1 812 . 10 1 1 A 67 67 GLY N N 67 118.040 105.885 12.155 1
1 813 . 10 1 1 A 68 68 CYS H H 68 7.789 7.616 0.173 1
1 814 . 10 1 1 A 68 68 CYS HA H 68 4.779 4.467 0.312 1
1 817 . 10 1 1 A 68 68 CYS C C 68 173.148 173.955 -0.807 1
1 818 . 10 1 1 A 68 68 CYS CA C 68 57.545 59.281 -1.736 1
1 819 . 10 1 1 A 68 68 CYS CB C 68 28.644 28.593 0.051 1
1 820 . 10 1 1 A 68 68 CYS N N 68 116.032 118.792 -2.760 1
1 821 . 10 1 1 A 69 69 VAL H H 69 8.665 9.594 -0.929 1
1 822 . 10 1 1 A 69 69 VAL HA H 69 4.364 4.855 -0.491 1
1 830 . 10 1 1 A 69 69 VAL C C 69 174.154 175.056 -0.902 1
1 831 . 10 1 1 A 69 69 VAL CA C 69 61.464 60.570 0.894 1
1 832 . 10 1 1 A 69 69 VAL CB C 69 35.041 35.426 -0.385 1
1 835 . 10 1 1 A 69 69 VAL N N 69 120.327 121.794 -1.467 1
1 836 . 10 1 1 A 70 70 VAL H H 70 8.656 8.586 0.070 1
1 837 . 10 1 1 A 70 70 VAL HA H 70 5.543 5.110 0.433 1
1 845 . 10 1 1 A 70 70 VAL C C 70 174.105 175.348 -1.243 1
1 846 . 10 1 1 A 70 70 VAL CA C 70 59.028 60.932 -1.904 1
1 847 . 10 1 1 A 70 70 VAL CB C 70 34.237 34.096 0.141 1
1 850 . 10 1 1 A 70 70 VAL N N 70 124.719 125.693 -0.974 1
1 851 . 10 1 1 A 71 71 THR H H 71 8.883 8.611 0.272 1
1 852 . 10 1 1 A 71 71 THR HA H 71 4.724 4.716 0.008 1
1 857 . 10 1 1 A 71 71 THR C C 71 173.087 171.925 1.162 1
1 858 . 10 1 1 A 71 71 THR CA C 71 59.875 60.849 -0.974 1
1 859 . 10 1 1 A 71 71 THR CB C 71 71.290 70.381 0.909 1
1 861 . 10 1 1 A 71 71 THR N N 71 120.107 120.740 -0.633 1
1 862 . 10 1 1 A 72 72 SER H H 72 8.706 8.775 -0.069 1
1 863 . 10 1 1 A 72 72 SER HA H 72 4.455 5.183 -0.728 1
1 866 . 10 1 1 A 72 72 SER C C 72 174.082 173.972 0.110 1
1 867 . 10 1 1 A 72 72 SER CA C 72 59.204 57.343 1.861 1
1 868 . 10 1 1 A 72 72 SER CB C 72 63.476 65.347 -1.871 1
1 869 . 10 1 1 A 72 72 SER N N 72 120.128 118.572 1.556 1
1 870 . 10 1 1 A 73 73 VAL H H 73 7.825 8.072 -0.247 1
1 871 . 10 1 1 A 73 73 VAL HA H 73 4.302 4.320 -0.018 1
1 879 . 10 1 1 A 73 73 VAL C C 73 175.160 176.985 -1.825 1
1 880 . 10 1 1 A 73 73 VAL CA C 73 62.010 61.797 0.213 1
1 881 . 10 1 1 A 73 73 VAL CB C 73 33.579 33.209 0.370 1
1 884 . 10 1 1 A 73 73 VAL N N 73 125.377 121.717 3.660 1
1 885 . 10 1 1 A 74 74 GLU H H 74 8.706 8.560 0.146 1
1 886 . 10 1 1 A 74 74 GLU HA H 74 4.544 4.415 0.129 1
1 891 . 10 1 1 A 74 74 GLU C C 74 176.420 176.522 -0.102 1
1 892 . 10 1 1 A 74 74 GLU CA C 74 55.622 56.642 -1.020 1
1 893 . 10 1 1 A 74 74 GLU CB C 74 30.741 30.673 0.068 1
1 895 . 10 1 1 A 74 74 GLU N N 74 126.564 119.708 6.856 1
1 896 . 10 1 1 A 75 75 SER H H 75 8.639 7.574 1.065 1
1 897 . 10 1 1 A 75 75 SER HA H 75 4.447 4.324 0.123 1
1 900 . 10 1 1 A 75 75 SER C C 75 174.299 174.017 0.282 1
1 901 . 10 1 1 A 75 75 SER CA C 75 58.339 59.172 -0.833 1
1 902 . 10 1 1 A 75 75 SER CB C 75 64.170 63.543 0.627 1
1 903 . 10 1 1 A 75 75 SER N N 75 117.961 117.056 0.905 1
1 904 . 10 1 1 A 76 76 ASN H H 76 8.672 8.702 -0.030 1
1 905 . 10 1 1 A 76 76 ASN HA H 76 4.795 5.318 -0.523 1
1 910 . 10 1 1 A 76 76 ASN C C 76 175.584 173.432 2.152 1
1 911 . 10 1 1 A 76 76 ASN CA C 76 53.292 53.383 -0.091 1
1 912 . 10 1 1 A 76 76 ASN CB C 76 39.089 40.850 -1.761 1
1 913 . 10 1 1 A 76 76 ASN N N 76 121.138 125.788 -4.650 1
1 915 . 10 1 1 A 78 78 ASN HA H 78 4.635 5.141 -0.506 1
1 920 . 10 1 1 A 78 78 ASN C C 78 175.681 175.336 0.345 1
1 921 . 10 1 1 A 78 78 ASN CA C 78 53.610 52.568 1.042 1
1 922 . 10 1 1 A 78 78 ASN CB C 78 38.496 38.786 -0.290 1
1 924 . 10 1 1 A 79 79 GLY H H 79 8.356 8.222 0.134 1
1 925 . 10 1 1 A 79 79 GLY HA2 H 79 3.821 4.046 -0.225 1
1 926 . 10 1 1 A 79 79 GLY HA3 H 79 4.011 4.048 -0.037 1
1 927 . 10 1 1 A 79 79 GLY C C 79 174.154 173.675 0.479 1
1 928 . 10 1 1 A 79 79 GLY CA C 79 45.563 44.476 1.087 1
1 929 . 10 1 1 A 79 79 GLY N N 79 108.284 112.731 -4.447 1
1 930 . 10 1 1 A 80 80 ARG H H 80 7.919 8.737 -0.818 1
1 931 . 10 1 1 A 80 80 ARG HA H 80 4.344 4.240 0.104 1
1 938 . 10 1 1 A 80 80 ARG C C 80 176.117 174.905 1.212 1
1 939 . 10 1 1 A 80 80 ARG CA C 80 55.905 58.202 -2.297 1
1 940 . 10 1 1 A 80 80 ARG CB C 80 30.782 29.289 1.493 1
1 943 . 10 1 1 A 80 80 ARG N N 80 120.470 120.491 -0.021 1
1 944 . 10 1 1 A 81 81 LYS H H 81 8.427 8.548 -0.121 1
1 945 . 10 1 1 A 81 81 LYS HA H 81 4.350 4.348 0.002 1
1 954 . 10 1 1 A 81 81 LYS C C 81 176.808 175.733 1.075 1
1 955 . 10 1 1 A 81 81 LYS CA C 81 56.416 55.961 0.455 1
1 956 . 10 1 1 A 81 81 LYS CB C 81 32.797 33.379 -0.582 1
1 960 . 10 1 1 A 81 81 LYS N N 81 122.963 122.749 0.214 1
1 961 . 10 1 1 A 82 82 SER H H 82 8.440 8.423 0.017 1
1 962 . 10 1 1 A 82 82 SER HA H 82 4.380 5.026 -0.646 1
1 965 . 10 1 1 A 82 82 SER C C 82 174.833 173.601 1.232 1
1 966 . 10 1 1 A 82 82 SER CA C 82 58.763 57.386 1.377 1
1 967 . 10 1 1 A 82 82 SER CB C 82 63.723 64.340 -0.617 1
1 968 . 10 1 1 A 82 82 SER N N 82 118.053 115.301 2.752 1
1 969 . 10 1 1 A 83 83 GLU H H 83 8.648 8.914 -0.266 1
1 970 . 10 1 1 A 83 83 GLU HA H 83 4.233 4.482 -0.249 1
1 975 . 10 1 1 A 83 83 GLU C C 83 176.311 174.710 1.601 1
1 976 . 10 1 1 A 83 83 GLU CA C 83 57.104 58.138 -1.034 1
1 977 . 10 1 1 A 83 83 GLU CB C 83 29.795 32.239 -2.444 1
1 979 . 10 1 1 A 83 83 GLU N N 83 121.793 125.022 -3.229 1
1 980 . 10 1 1 A 84 84 GLU H H 84 8.088 7.777 0.311 1
1 981 . 10 1 1 A 84 84 GLU HA H 84 4.161 4.544 -0.383 1
1 986 . 10 1 1 A 84 84 GLU C C 84 175.523 175.551 -0.028 1
1 987 . 10 1 1 A 84 84 GLU CA C 84 56.275 55.009 1.266 1
1 988 . 10 1 1 A 84 84 GLU CB C 84 30.165 32.099 -1.934 1
1 990 . 10 1 1 A 84 84 GLU N N 84 119.385 117.668 1.717 1
1 991 . 10 1 1 A 85 85 GLU H H 85 7.907 8.466 -0.559 1
1 992 . 10 1 1 A 85 85 GLU HA H 85 4.350 4.594 -0.244 1
1 997 . 10 1 1 A 85 85 GLU C C 85 175.002 176.308 -1.306 1
1 998 . 10 1 1 A 85 85 GLU CA C 85 55.569 55.275 0.294 1
1 999 . 10 1 1 A 85 85 GLU CB C 85 32.098 30.891 1.207 1
1 1001 . 10 1 1 A 85 85 GLU N N 85 120.414 124.606 -4.192 1
1 1002 . 10 1 1 A 86 86 ASN H H 86 8.569 8.560 0.009 1
1 1003 . 10 1 1 A 86 86 ASN HA H 86 4.225 5.095 -0.870 1
1 1008 . 10 1 1 A 86 86 ASN C C 86 175.147 174.583 0.564 1
1 1009 . 10 1 1 A 86 86 ASN CA C 86 54.068 53.254 0.814 1
1 1010 . 10 1 1 A 86 86 ASN CB C 86 38.185 39.144 -0.959 1
1 1011 . 10 1 1 A 86 86 ASN N N 86 114.602 118.776 -4.174 1
1 1013 . 10 1 1 A 87 87 LEU H H 87 8.483 9.077 -0.594 1
1 1014 . 10 1 1 A 87 87 LEU HA H 87 5.186 5.395 -0.209 1
1 1024 . 10 1 1 A 87 87 LEU C C 87 178.480 175.549 2.931 1
1 1025 . 10 1 1 A 87 87 LEU CA C 87 55.128 53.236 1.892 1
1 1026 . 10 1 1 A 87 87 LEU CB C 87 44.559 46.154 -1.595 1
1 1030 . 10 1 1 A 87 87 LEU N N 87 121.334 125.141 -3.807 1
1 1031 . 10 1 1 A 88 88 PHE H H 88 9.512 8.025 1.487 1
1 1032 . 10 1 1 A 88 88 PHE HA H 88 5.156 4.996 0.160 1
1 1040 . 10 1 1 A 88 88 PHE C C 88 170.288 171.938 -1.650 1
1 1041 . 10 1 1 A 88 88 PHE CA C 88 56.787 55.633 1.154 1
1 1042 . 10 1 1 A 88 88 PHE CB C 88 41.763 41.875 -0.112 1
1 1048 . 10 1 1 A 88 88 PHE N N 88 119.324 118.053 1.271 1
1 1049 . 10 1 1 A 89 89 GLU H H 89 9.028 8.443 0.585 1
1 1050 . 10 1 1 A 89 89 GLU HA H 89 5.293 4.861 0.432 1
1 1055 . 10 1 1 A 89 89 GLU C C 89 175.245 175.013 0.232 1
1 1056 . 10 1 1 A 89 89 GLU CA C 89 53.433 55.106 -1.673 1
1 1057 . 10 1 1 A 89 89 GLU CB C 89 34.566 31.162 3.404 1
1 1059 . 10 1 1 A 89 89 GLU N N 89 121.829 120.866 0.963 1
1 1060 . 10 1 1 A 90 90 ILE H H 90 8.655 8.539 0.116 1
1 1061 . 10 1 1 A 90 90 ILE HA H 90 4.793 4.756 0.037 1
1 1071 . 10 1 1 A 90 90 ILE C C 90 174.808 175.301 -0.493 1
1 1072 . 10 1 1 A 90 90 ILE CA C 90 59.857 60.258 -0.401 1
1 1073 . 10 1 1 A 90 90 ILE CB C 90 41.886 40.142 1.744 1
1 1077 . 10 1 1 A 90 90 ILE N N 90 123.446 126.333 -2.887 1
1 1078 . 10 1 1 A 91 91 ILE H H 91 9.199 8.595 0.604 1
1 1079 . 10 1 1 A 91 91 ILE HA H 91 4.724 4.723 0.001 1
1 1089 . 10 1 1 A 91 91 ILE C C 91 177.898 176.262 1.636 1
1 1090 . 10 1 1 A 91 91 ILE CA C 91 60.211 61.236 -1.025 1
1 1091 . 10 1 1 A 91 91 ILE CB C 91 39.043 37.806 1.237 1
1 1095 . 10 1 1 A 91 91 ILE N N 91 126.827 128.931 -2.104 1
1 1096 . 10 1 1 A 92 92 THR H H 92 9.086 8.019 1.067 1
1 1097 . 10 1 1 A 92 92 THR HA H 92 4.314 4.858 -0.544 1
1 1102 . 10 1 1 A 92 92 THR C C 92 176.857 175.742 1.115 1
1 1103 . 10 1 1 A 92 92 THR CA C 92 61.693 59.838 1.855 1
1 1104 . 10 1 1 A 92 92 THR CB C 92 70.920 72.410 -1.490 1
1 1106 . 10 1 1 A 92 92 THR N N 92 117.131 116.545 0.586 1
1 1107 . 10 1 1 A 93 93 ALA H H 93 9.192 8.953 0.239 1
1 1108 . 10 1 1 A 93 93 ALA HA H 93 4.101 4.140 -0.039 1
1 1112 . 10 1 1 A 93 93 ALA C C 93 178.008 177.780 0.228 1
1 1113 . 10 1 1 A 93 93 ALA CA C 93 54.634 54.339 0.295 1
1 1114 . 10 1 1 A 93 93 ALA CB C 93 18.198 18.387 -0.189 1
1 1115 . 10 1 1 A 93 93 ALA N N 93 123.540 123.971 -0.431 1
1 1116 . 10 1 1 A 94 94 ASP H H 94 7.979 7.339 0.640 1
1 1117 . 10 1 1 A 94 94 ASP HA H 94 4.724 4.720 0.004 1
1 1120 . 10 1 1 A 94 94 ASP C C 94 174.324 175.801 -1.477 1
1 1121 . 10 1 1 A 94 94 ASP CA C 94 53.098 53.920 -0.822 1
1 1122 . 10 1 1 A 94 94 ASP CB C 94 39.336 41.470 -2.134 1
1 1123 . 10 1 1 A 94 94 ASP N N 94 113.209 116.816 -3.607 1
1 1124 . 10 1 1 A 95 95 GLU H H 95 8.152 8.589 -0.437 1
1 1125 . 10 1 1 A 95 95 GLU HA H 95 3.430 3.809 -0.379 1
1 1130 . 10 1 1 A 95 95 GLU C C 95 174.578 175.447 -0.869 1
1 1131 . 10 1 1 A 95 95 GLU CA C 95 57.687 58.129 -0.442 1
1 1132 . 10 1 1 A 95 95 GLU CB C 95 26.300 27.611 -1.311 1
1 1134 . 10 1 1 A 95 95 GLU N N 95 114.010 115.480 -1.470 1
1 1135 . 10 1 1 A 96 96 VAL H H 96 7.595 7.125 0.470 1
1 1136 . 10 1 1 A 96 96 VAL HA H 96 4.063 3.856 0.207 1
1 1144 . 10 1 1 A 96 96 VAL C C 96 175.293 175.134 0.159 1
1 1145 . 10 1 1 A 96 96 VAL CA C 96 62.751 62.956 -0.205 1
1 1146 . 10 1 1 A 96 96 VAL CB C 96 31.440 31.520 -0.080 1
1 1149 . 10 1 1 A 96 96 VAL N N 96 120.925 120.548 0.377 1
1 1150 . 10 1 1 A 97 97 HIS H H 97 8.603 9.100 -0.497 1
1 1151 . 10 1 1 A 97 97 HIS HA H 97 5.234 5.270 -0.036 1
1 1156 . 10 1 1 A 97 97 HIS C C 97 174.348 173.699 0.649 1
1 1157 . 10 1 1 A 97 97 HIS CA C 97 54.404 53.709 0.695 1
1 1158 . 10 1 1 A 97 97 HIS CB C 97 30.536 32.401 -1.865 1
1 1161 . 10 1 1 A 97 97 HIS N N 97 124.160 126.682 -2.522 1
1 1162 . 10 1 1 A 98 98 TYR H H 98 9.267 9.041 0.226 1
1 1163 . 10 1 1 A 98 98 TYR HA H 98 4.532 5.096 -0.564 1
1 1170 . 10 1 1 A 98 98 TYR C C 98 173.621 174.679 -1.058 1
1 1171 . 10 1 1 A 98 98 TYR CA C 98 57.122 56.501 0.621 1
1 1172 . 10 1 1 A 98 98 TYR CB C 98 41.228 41.143 0.085 1
1 1177 . 10 1 1 A 98 98 TYR N N 98 121.543 120.471 1.072 1
1 1178 . 10 1 1 A 99 99 PHE H H 99 8.861 9.130 -0.269 1
1 1179 . 10 1 1 A 99 99 PHE HA H 99 4.983 5.109 -0.126 1
1 1186 . 10 1 1 A 99 99 PHE C C 99 173.754 174.841 -1.087 1
1 1187 . 10 1 1 A 99 99 PHE CA C 99 57.705 57.018 0.687 1
1 1188 . 10 1 1 A 99 99 PHE CB C 99 41.516 39.717 1.799 1
1 1193 . 10 1 1 A 99 99 PHE N N 99 121.699 123.153 -1.454 1
1 1194 . 10 1 1 A 100 100 LEU H H 100 8.529 8.173 0.356 1
1 1195 . 10 1 1 A 100 100 LEU HA H 100 5.345 5.383 -0.038 1
1 1205 . 10 1 1 A 100 100 LEU C C 100 174.942 174.748 0.194 1
1 1206 . 10 1 1 A 100 100 LEU CA C 100 52.781 52.618 0.163 1
1 1207 . 10 1 1 A 100 100 LEU CB C 100 44.518 43.836 0.682 1
1 1211 . 10 1 1 A 100 100 LEU N N 100 123.519 124.382 -0.863 1
1 1212 . 10 1 1 A 101 101 GLN H H 101 8.717 8.948 -0.231 1
1 1213 . 10 1 1 A 101 101 GLN HA H 101 4.886 5.039 -0.153 1
1 1220 . 10 1 1 A 101 101 GLN C C 101 175.390 174.599 0.791 1
1 1221 . 10 1 1 A 101 101 GLN CA C 101 54.934 54.180 0.754 1
1 1222 . 10 1 1 A 101 101 GLN CB C 101 32.222 30.806 1.416 1
1 1224 . 10 1 1 A 101 101 GLN N N 101 117.786 124.469 -6.683 1
1 1226 . 10 1 1 A 102 102 ALA H H 102 8.256 9.215 -0.959 1
1 1227 . 10 1 1 A 102 102 ALA HA H 102 4.862 4.915 -0.053 1
1 1231 . 10 1 1 A 102 102 ALA C C 102 176.008 178.061 -2.053 1
1 1232 . 10 1 1 A 102 102 ALA CA C 102 50.098 51.109 -1.011 1
1 1233 . 10 1 1 A 102 102 ALA CB C 102 21.606 20.768 0.838 1
1 1234 . 10 1 1 A 102 102 ALA N N 102 128.068 129.723 -1.655 1
1 1235 . 10 1 1 A 103 103 ALA H H 103 9.255 8.865 0.390 1
1 1236 . 10 1 1 A 103 103 ALA HA H 103 4.247 4.063 0.184 1
1 1240 . 10 1 1 A 103 103 ALA C C 103 178.153 177.845 0.308 1
1 1241 . 10 1 1 A 103 103 ALA CA C 103 54.369 56.059 -1.690 1
1 1242 . 10 1 1 A 103 103 ALA CB C 103 20.377 18.709 1.668 1
1 1243 . 10 1 1 A 103 103 ALA N N 103 120.410 125.775 -5.365 1
1 1244 . 10 1 1 A 104 104 THR H H 104 7.149 7.904 -0.755 1
1 1245 . 10 1 1 A 104 104 THR HA H 104 4.846 4.658 0.188 1
1 1250 . 10 1 1 A 104 104 THR C C 104 173.354 174.269 -0.915 1
1 1251 . 10 1 1 A 104 104 THR CA C 104 57.810 59.670 -1.860 1
1 1252 . 10 1 1 A 104 104 THR CB C 104 71.496 70.180 1.316 1
1 1254 . 10 1 1 A 104 104 THR N N 104 103.106 109.280 -6.174 1
1 1255 . 10 1 1 A 105 105 PRO HA H 105 4.225 4.605 -0.380 1
1 1262 . 10 1 1 A 105 105 PRO C C 105 179.704 178.008 1.696 1
1 1263 . 10 1 1 A 105 105 PRO CA C 105 65.046 64.182 0.864 1
1 1264 . 10 1 1 A 105 105 PRO CB C 105 31.775 31.765 0.010 1
1 1267 . 10 1 1 A 106 106 LYS H H 106 7.764 7.939 -0.175 1
1 1268 . 10 1 1 A 106 106 LYS HA H 106 4.036 4.061 -0.025 1
1 1277 . 10 1 1 A 106 106 LYS C C 106 177.959 178.676 -0.717 1
1 1278 . 10 1 1 A 106 106 LYS CA C 106 59.452 59.166 0.286 1
1 1279 . 10 1 1 A 106 106 LYS CB C 106 32.797 32.058 0.739 1
1 1283 . 10 1 1 A 106 106 LYS N N 106 119.261 118.543 0.718 1
1 1284 . 10 1 1 A 107 107 GLU H H 107 8.005 7.886 0.119 1
1 1285 . 10 1 1 A 107 107 GLU HA H 107 4.171 4.059 0.112 1
1 1290 . 10 1 1 A 107 107 GLU C C 107 178.529 178.751 -0.222 1
1 1291 . 10 1 1 A 107 107 GLU CA C 107 59.310 58.975 0.335 1
1 1292 . 10 1 1 A 107 107 GLU CB C 107 31.111 29.187 1.924 1
1 1294 . 10 1 1 A 107 107 GLU N N 107 119.293 119.205 0.088 1
1 1295 . 10 1 1 A 108 108 ARG H H 108 7.810 7.366 0.444 1
1 1296 . 10 1 1 A 108 108 ARG HA H 108 3.603 4.173 -0.570 1
1 1303 . 10 1 1 A 108 108 ARG C C 108 176.287 178.987 -2.700 1
1 1304 . 10 1 1 A 108 108 ARG CA C 108 60.598 59.118 1.480 1
1 1305 . 10 1 1 A 108 108 ARG CB C 108 29.548 29.913 -0.365 1
1 1308 . 10 1 1 A 108 108 ARG N N 108 118.989 120.414 -1.425 1
1 1309 . 10 1 1 A 109 109 THR H H 109 8.195 8.157 0.038 1
1 1310 . 10 1 1 A 109 109 THR HA H 109 3.645 3.765 -0.120 1
1 1315 . 10 1 1 A 109 109 THR C C 109 176.227 176.610 -0.383 1
1 1316 . 10 1 1 A 109 109 THR CA C 109 67.022 67.378 -0.356 1
1 1317 . 10 1 1 A 109 109 THR CB C 109 68.576 68.303 0.273 1
1 1319 . 10 1 1 A 109 109 THR N N 109 115.975 116.386 -0.411 1
1 1320 . 10 1 1 A 110 110 GLU H H 110 8.274 8.405 -0.131 1
1 1321 . 10 1 1 A 110 110 GLU HA H 110 3.794 3.866 -0.072 1
1 1326 . 10 1 1 A 110 110 GLU C C 110 180.516 179.356 1.160 1
1 1327 . 10 1 1 A 110 110 GLU CA C 110 59.534 59.594 -0.060 1
1 1328 . 10 1 1 A 110 110 GLU CB C 110 29.507 29.248 0.259 1
1 1330 . 10 1 1 A 110 110 GLU N N 110 119.565 118.828 0.737 1
1 1331 . 10 1 1 A 111 111 TRP H H 111 8.316 8.509 -0.193 1
1 1332 . 10 1 1 A 111 111 TRP HA H 111 3.912 4.242 -0.330 1
1 1341 . 10 1 1 A 111 111 TRP C C 111 178.020 178.404 -0.384 1
1 1342 . 10 1 1 A 111 111 TRP CA C 111 62.464 60.100 2.364 1
1 1343 . 10 1 1 A 111 111 TRP CB C 111 29.548 29.211 0.337 1
1 1349 . 10 1 1 A 111 111 TRP N N 111 120.868 120.486 0.382 1
1 1351 . 10 1 1 A 112 112 ILE H H 112 8.271 7.713 0.558 1
1 1352 . 10 1 1 A 112 112 ILE HA H 112 3.254 3.590 -0.336 1
1 1362 . 10 1 1 A 112 112 ILE C C 112 177.669 177.979 -0.310 1
1 1363 . 10 1 1 A 112 112 ILE CA C 112 67.040 64.940 2.100 1
1 1364 . 10 1 1 A 112 112 ILE CB C 112 37.856 37.647 0.209 1
1 1368 . 10 1 1 A 112 112 ILE N N 112 118.862 119.577 -0.715 1
1 1369 . 10 1 1 A 113 113 LYS H H 113 8.042 8.140 -0.098 1
1 1370 . 10 1 1 A 113 113 LYS HA H 113 3.991 3.972 0.019 1
1 1379 . 10 1 1 A 113 113 LYS C C 113 178.977 179.205 -0.228 1
1 1380 . 10 1 1 A 113 113 LYS CA C 113 59.328 59.248 0.080 1
1 1381 . 10 1 1 A 113 113 LYS CB C 113 32.345 32.219 0.126 1
1 1385 . 10 1 1 A 113 113 LYS N N 113 117.182 119.725 -2.543 1
1 1386 . 10 1 1 A 114 114 ALA H H 114 7.686 8.767 -1.081 1
1 1387 . 10 1 1 A 114 114 ALA HA H 114 4.058 4.018 0.040 1
1 1391 . 10 1 1 A 114 114 ALA C C 114 179.849 179.809 0.040 1
1 1392 . 10 1 1 A 114 114 ALA CA C 114 55.146 55.110 0.036 1
1 1393 . 10 1 1 A 114 114 ALA CB C 114 18.362 18.646 -0.284 1
1 1394 . 10 1 1 A 114 114 ALA N N 114 120.689 121.865 -1.176 1
1 1395 . 10 1 1 A 115 115 ILE H H 115 8.594 8.845 -0.251 1
1 1396 . 10 1 1 A 115 115 ILE HA H 115 3.534 3.614 -0.080 1
1 1406 . 10 1 1 A 115 115 ILE C C 115 178.432 178.048 0.384 1
1 1407 . 10 1 1 A 115 115 ILE CA C 115 66.016 65.611 0.405 1
1 1408 . 10 1 1 A 115 115 ILE CB C 115 38.390 37.602 0.788 1
1 1412 . 10 1 1 A 115 115 ILE N N 115 118.898 117.939 0.959 1
1 1413 . 10 1 1 A 116 116 GLN H H 116 8.732 8.659 0.073 1
1 1414 . 10 1 1 A 116 116 GLN HA H 116 3.851 4.317 -0.466 1
1 1421 . 10 1 1 A 116 116 GLN C C 116 179.655 178.277 1.378 1
1 1422 . 10 1 1 A 116 116 GLN CA C 116 59.575 59.194 0.381 1
1 1423 . 10 1 1 A 116 116 GLN CB C 116 28.222 28.643 -0.421 1
1 1425 . 10 1 1 A 116 116 GLN N N 116 119.877 118.443 1.434 1
1 1427 . 10 1 1 A 117 117 MET H H 117 8.279 8.477 -0.198 1
1 1428 . 10 1 1 A 117 117 MET HA H 117 4.155 3.941 0.214 1
1 1436 . 10 1 1 A 117 117 MET C C 117 179.123 178.118 1.005 1
1 1437 . 10 1 1 A 117 117 MET CA C 117 58.658 58.536 0.122 1
1 1438 . 10 1 1 A 117 117 MET CB C 117 31.934 32.355 -0.421 1
1 1441 . 10 1 1 A 117 117 MET N N 117 118.855 119.624 -0.769 1
1 1442 . 10 1 1 A 118 118 ALA H H 118 8.266 7.614 0.652 1
1 1443 . 10 1 1 A 118 118 ALA HA H 118 4.240 4.045 0.195 1
1 1447 . 10 1 1 A 118 118 ALA C C 118 178.820 179.505 -0.685 1
1 1448 . 10 1 1 A 118 118 ALA CA C 118 54.604 55.174 -0.570 1
1 1449 . 10 1 1 A 118 118 ALA CB C 118 18.627 18.738 -0.111 1
1 1450 . 10 1 1 A 118 118 ALA N N 118 121.702 122.321 -0.619 1
1 1451 . 10 1 1 A 119 119 SER H H 119 8.073 9.293 -1.220 1
1 1452 . 10 1 1 A 119 119 SER HA H 119 4.027 4.454 -0.427 1
1 1455 . 10 1 1 A 119 119 SER C C 119 174.663 177.252 -2.589 1
1 1456 . 10 1 1 A 119 119 SER CA C 119 60.122 61.663 -1.541 1
1 1457 . 10 1 1 A 119 119 SER CB C 119 64.299 62.461 1.838 1
1 1458 . 10 1 1 A 119 119 SER N N 119 110.080 112.869 -2.789 1
1 1459 . 10 1 1 A 120 120 ARG H H 120 7.345 8.338 -0.993 1
1 1460 . 10 1 1 A 120 120 ARG HA H 120 4.383 4.168 0.215 1
1 1467 . 10 1 1 A 120 120 ARG C C 120 176.372 176.569 -0.197 1
1 1468 . 10 1 1 A 120 120 ARG CA C 120 56.681 59.354 -2.673 1
1 1469 . 10 1 1 A 120 120 ARG CB C 120 30.248 30.110 0.138 1
1 1472 . 10 1 1 A 120 120 ARG N N 120 120.244 122.626 -2.382 1
1 1473 . 10 1 1 A 121 121 THR H H 121 8.070 8.412 -0.342 1
1 1474 . 10 1 1 A 121 121 THR HA H 121 4.365 4.004 0.361 1
1 1479 . 10 1 1 A 121 121 THR C C 121 175.281 174.790 0.491 1
1 1480 . 10 1 1 A 121 121 THR CA C 121 62.557 63.223 -0.666 1
1 1481 . 10 1 1 A 121 121 THR CB C 121 70.298 66.632 3.666 1
1 1483 . 10 1 1 A 121 121 THR N N 121 114.024 113.439 0.585 1
1 1484 . 10 1 1 A 122 122 GLY H H 122 8.520 8.375 0.145 1
1 1485 . 10 1 1 A 122 122 GLY HA2 H 122 4.005 3.985 0.020 1
1 1486 . 10 1 1 A 122 122 GLY HA3 H 122 4.005 3.986 0.019 1
1 1487 . 10 1 1 A 122 122 GLY C C 122 174.118 174.413 -0.295 1
1 1488 . 10 1 1 A 122 122 GLY CA C 122 45.351 44.918 0.433 1
1 1489 . 10 1 1 A 122 122 GLY N N 122 111.123 110.201 0.922 1
1 1490 . 10 1 1 A 123 123 LYS H H 123 8.309 8.651 -0.342 1
1 1491 . 10 1 1 A 123 123 LYS HA H 123 4.364 4.301 0.063 1
1 1500 . 10 1 1 A 123 123 LYS C C 123 176.772 175.712 1.060 1
1 1501 . 10 1 1 A 123 123 LYS CA C 123 56.310 57.327 -1.017 1
1 1502 . 10 1 1 A 123 123 LYS CB C 123 33.167 32.200 0.967 1
1 1506 . 10 1 1 A 123 123 LYS N N 123 121.100 121.953 -0.853 1
1 1507 . 10 1 1 A 124 124 SER H H 124 8.453 9.145 -0.692 1
1 1508 . 10 1 1 A 124 124 SER HA H 124 4.489 4.133 0.356 1
1 1509 . 10 1 1 A 124 124 SER C C 124 174.518 174.209 0.309 1
1 1510 . 10 1 1 A 124 124 SER CA C 124 58.357 59.263 -0.906 1
1 1511 . 10 1 1 A 124 124 SER CB C 124 64.052 62.092 1.960 1
1 1512 . 10 1 1 A 124 124 SER N N 124 117.316 119.434 -2.118 1
1 1513 . 10 1 1 A 125 125 GLY H H 125 8.278 8.518 -0.240 1
1 1514 . 10 1 1 A 125 125 GLY HA2 H 125 4.154 4.041 0.113 1
1 1515 . 10 1 1 A 125 125 GLY HA3 H 125 4.102 4.042 0.060 1
1 1516 . 10 1 1 A 125 125 GLY C C 125 171.827 173.359 -1.532 1
1 1517 . 10 1 1 A 125 125 GLY CA C 125 44.680 44.749 -0.069 1
1 1518 . 10 1 1 A 125 125 GLY N N 125 110.670 115.267 -4.597 1
1 1519 . 10 1 1 A 126 126 PRO HA H 126 4.461 4.481 -0.020 1
1 1526 . 10 1 1 A 126 126 PRO C C 126 177.426 177.068 0.358 1
1 1527 . 10 1 1 A 126 126 PRO CA C 126 63.281 62.512 0.769 1
1 1528 . 10 1 1 A 126 126 PRO CB C 126 32.263 32.235 0.028 1
1 1531 . 10 1 1 A 127 127 SER H H 127 8.556 9.020 -0.464 1
1 1532 . 10 1 1 A 127 127 SER HA H 127 4.489 4.252 0.237 1
1 1535 . 10 1 1 A 127 127 SER C C 127 174.651 176.812 -2.161 1
1 1536 . 10 1 1 A 127 127 SER CA C 127 58.410 61.154 -2.744 1
1 1537 . 10 1 1 A 127 127 SER CB C 127 63.682 62.621 1.061 1
1 1538 . 10 1 1 A 127 127 SER N N 127 116.423 118.764 -2.341 1
1 1539 . 10 1 1 A 128 128 SER H H 128 8.313 8.282 0.031 1
1 1540 . 10 1 1 A 128 128 SER HA H 128 4.489 4.178 0.311 1
1 1543 . 10 1 1 A 128 128 SER C C 128 173.936 177.092 -3.156 1
1 1544 . 10 1 1 A 128 128 SER CA C 128 58.393 61.238 -2.845 1
1 1545 . 10 1 1 A 128 128 SER CB C 128 64.052 62.387 1.665 1
1 1546 . 10 1 1 A 128 128 SER N N 128 117.750 116.485 1.265 1
1 1 . 11 1 1 A 6 6 SER HA H 6 4.475 5.315 -0.840 1
1 4 . 11 1 1 A 6 6 SER C C 6 174.978 173.435 1.543 1
1 5 . 11 1 1 A 6 6 SER CA C 6 58.657 56.526 2.131 1
1 6 . 11 1 1 A 6 6 SER CB C 6 63.682 66.605 -2.923 1
1 7 . 11 1 1 A 7 7 GLY H H 7 8.385 8.561 -0.176 1
1 8 . 11 1 1 A 7 7 GLY HA2 H 7 3.947 4.158 -0.211 1
1 9 . 11 1 1 A 7 7 GLY HA3 H 7 3.947 4.160 -0.213 1
1 10 . 11 1 1 A 7 7 GLY C C 7 173.900 172.586 1.314 1
1 11 . 11 1 1 A 7 7 GLY CA C 7 45.280 46.120 -0.840 1
1 12 . 11 1 1 A 7 7 GLY N N 7 110.753 109.913 0.840 1
1 13 . 11 1 1 A 8 8 VAL H H 8 7.896 8.336 -0.440 1
1 14 . 11 1 1 A 8 8 VAL HA H 8 4.046 4.946 -0.900 1
1 22 . 11 1 1 A 8 8 VAL C C 8 175.948 174.339 1.609 1
1 23 . 11 1 1 A 8 8 VAL CA C 8 62.399 59.503 2.896 1
1 24 . 11 1 1 A 8 8 VAL CB C 8 32.904 35.706 -2.802 1
1 27 . 11 1 1 A 8 8 VAL N N 8 119.771 121.536 -1.765 1
1 28 . 11 1 1 A 9 9 ILE H H 9 8.253 8.440 -0.187 1
1 29 . 11 1 1 A 9 9 ILE HA H 9 4.103 4.030 0.073 1
1 39 . 11 1 1 A 9 9 ILE C C 9 175.984 175.396 0.588 1
1 40 . 11 1 1 A 9 9 ILE CA C 9 60.657 62.203 -1.546 1
1 41 . 11 1 1 A 9 9 ILE CB C 9 38.349 38.060 0.289 1
1 45 . 11 1 1 A 9 9 ILE N N 9 125.791 124.948 0.843 1
1 46 . 11 1 1 A 10 10 LEU H H 10 8.374 8.570 -0.196 1
1 47 . 11 1 1 A 10 10 LEU HA H 10 4.379 5.041 -0.662 1
1 57 . 11 1 1 A 10 10 LEU C C 10 177.171 176.267 0.904 1
1 58 . 11 1 1 A 10 10 LEU CA C 10 54.598 53.414 1.184 1
1 59 . 11 1 1 A 10 10 LEU CB C 10 42.873 45.311 -2.438 1
1 63 . 11 1 1 A 10 10 LEU N N 10 127.929 128.264 -0.335 1
1 64 . 11 1 1 A 11 11 LYS H H 11 8.414 8.558 -0.144 1
1 65 . 11 1 1 A 11 11 LYS HA H 11 4.214 4.425 -0.211 1
1 74 . 11 1 1 A 11 11 LYS C C 11 177.244 176.999 0.245 1
1 75 . 11 1 1 A 11 11 LYS CA C 11 57.051 56.132 0.919 1
1 76 . 11 1 1 A 11 11 LYS CB C 11 33.332 33.560 -0.228 1
1 80 . 11 1 1 A 11 11 LYS N N 11 123.211 126.781 -3.570 1
1 81 . 11 1 1 A 12 12 GLU H H 12 8.629 8.879 -0.250 1
1 82 . 11 1 1 A 12 12 GLU HA H 12 3.745 4.599 -0.854 1
1 87 . 11 1 1 A 12 12 GLU C C 12 177.366 178.874 -1.508 1
1 88 . 11 1 1 A 12 12 GLU CA C 12 59.663 57.419 2.244 1
1 89 . 11 1 1 A 12 12 GLU CB C 12 29.672 30.928 -1.256 1
1 91 . 11 1 1 A 12 12 GLU N N 12 122.998 121.192 1.806 1
1 92 . 11 1 1 A 13 13 GLU H H 13 8.043 8.466 -0.423 1
1 93 . 11 1 1 A 13 13 GLU HA H 13 3.333 4.141 -0.808 1
1 98 . 11 1 1 A 13 13 GLU C C 13 175.451 177.601 -2.150 1
1 99 . 11 1 1 A 13 13 GLU CA C 13 57.634 58.495 -0.861 1
1 100 . 11 1 1 A 13 13 GLU CB C 13 28.567 28.187 0.380 1
1 102 . 11 1 1 A 13 13 GLU N N 13 113.498 118.887 -5.389 1
1 103 . 11 1 1 A 14 14 PHE H H 14 7.483 7.787 -0.304 1
1 104 . 11 1 1 A 14 14 PHE HA H 14 4.650 4.367 0.283 1
1 112 . 11 1 1 A 14 14 PHE C C 14 175.657 177.328 -1.671 1
1 113 . 11 1 1 A 14 14 PHE CA C 14 56.187 60.163 -3.976 1
1 114 . 11 1 1 A 14 14 PHE CB C 14 39.665 39.994 -0.329 1
1 120 . 11 1 1 A 14 14 PHE N N 14 115.879 118.103 -2.224 1
1 121 . 11 1 1 A 15 15 ARG H H 15 7.757 8.231 -0.474 1
1 122 . 11 1 1 A 15 15 ARG HA H 15 4.154 4.061 0.093 1
1 129 . 11 1 1 A 15 15 ARG C C 15 177.353 178.237 -0.884 1
1 130 . 11 1 1 A 15 15 ARG CA C 15 58.092 59.358 -1.266 1
1 131 . 11 1 1 A 15 15 ARG CB C 15 31.193 29.996 1.197 1
1 134 . 11 1 1 A 15 15 ARG N N 15 118.945 120.279 -1.334 1
1 135 . 11 1 1 A 16 16 GLY H H 16 8.812 7.951 0.861 1
1 136 . 11 1 1 A 16 16 GLY HA2 H 16 4.194 4.115 0.079 1
1 137 . 11 1 1 A 16 16 GLY HA3 H 16 3.824 4.124 -0.300 1
1 138 . 11 1 1 A 16 16 GLY C C 16 173.427 172.752 0.675 1
1 139 . 11 1 1 A 16 16 GLY CA C 16 45.157 44.484 0.673 1
1 140 . 11 1 1 A 16 16 GLY N N 16 109.133 108.844 0.289 1
1 141 . 11 1 1 A 17 17 VAL H H 17 8.308 7.834 0.474 1
1 142 . 11 1 1 A 17 17 VAL HA H 17 4.060 4.966 -0.906 1
1 150 . 11 1 1 A 17 17 VAL C C 17 176.469 174.400 2.069 1
1 151 . 11 1 1 A 17 17 VAL CA C 17 62.098 59.375 2.723 1
1 152 . 11 1 1 A 17 17 VAL CB C 17 33.414 35.711 -2.297 1
1 155 . 11 1 1 A 17 17 VAL N N 17 120.815 119.237 1.578 1
1 156 . 11 1 1 A 18 18 ILE H H 18 8.547 8.900 -0.353 1
1 157 . 11 1 1 A 18 18 ILE HA H 18 4.186 4.874 -0.688 1
1 167 . 11 1 1 A 18 18 ILE C C 18 177.208 176.662 0.546 1
1 168 . 11 1 1 A 18 18 ILE CA C 18 63.175 60.247 2.928 1
1 169 . 11 1 1 A 18 18 ILE CB C 18 38.596 39.060 -0.464 1
1 173 . 11 1 1 A 18 18 ILE N N 18 125.006 124.838 0.168 1
1 174 . 11 1 1 A 19 19 ILE H H 19 9.127 8.485 0.642 1
1 175 . 11 1 1 A 19 19 ILE HA H 19 4.461 4.473 -0.012 1
1 185 . 11 1 1 A 19 19 ILE C C 19 176.081 175.482 0.599 1
1 186 . 11 1 1 A 19 19 ILE CA C 19 60.298 61.341 -1.043 1
1 187 . 11 1 1 A 19 19 ILE CB C 19 39.665 40.086 -0.421 1
1 191 . 11 1 1 A 19 19 ILE N N 19 124.358 120.219 4.139 1
1 192 . 11 1 1 A 20 20 LYS H H 20 7.620 7.814 -0.194 1
1 193 . 11 1 1 A 20 20 LYS HA H 20 4.325 4.776 -0.451 1
1 202 . 11 1 1 A 20 20 LYS C C 20 172.760 174.176 -1.416 1
1 203 . 11 1 1 A 20 20 LYS CA C 20 57.298 55.318 1.980 1
1 204 . 11 1 1 A 20 20 LYS CB C 20 36.458 35.602 0.856 1
1 208 . 11 1 1 A 20 20 LYS N N 20 121.749 121.768 -0.019 1
1 209 . 11 1 1 A 21 21 GLN H H 21 8.572 8.589 -0.017 1
1 210 . 11 1 1 A 21 21 GLN HA H 21 5.927 5.483 0.444 1
1 217 . 11 1 1 A 21 21 GLN C C 21 175.124 174.936 0.188 1
1 218 . 11 1 1 A 21 21 GLN CA C 21 54.227 54.842 -0.615 1
1 219 . 11 1 1 A 21 21 GLN CB C 21 33.369 33.476 -0.107 1
1 221 . 11 1 1 A 21 21 GLN N N 21 121.653 124.458 -2.805 1
1 223 . 11 1 1 A 22 22 GLY H H 22 9.178 8.285 0.893 1
1 224 . 11 1 1 A 22 22 GLY HA2 H 22 4.904 4.327 0.577 1
1 225 . 11 1 1 A 22 22 GLY HA3 H 22 4.447 4.438 0.009 1
1 226 . 11 1 1 A 22 22 GLY C C 22 172.300 172.378 -0.078 1
1 227 . 11 1 1 A 22 22 GLY CA C 22 45.650 46.133 -0.483 1
1 228 . 11 1 1 A 22 22 GLY N N 22 108.544 108.755 -0.211 1
1 229 . 11 1 1 A 23 23 CYS H H 23 9.262 8.806 0.456 1
1 230 . 11 1 1 A 23 23 CYS HA H 23 5.904 5.853 0.051 1
1 233 . 11 1 1 A 23 23 CYS C C 23 175.293 173.525 1.768 1
1 234 . 11 1 1 A 23 23 CYS CA C 23 59.222 57.239 1.983 1
1 235 . 11 1 1 A 23 23 CYS CB C 23 29.260 30.877 -1.617 1
1 236 . 11 1 1 A 23 23 CYS N N 23 118.575 117.997 0.578 1
1 237 . 11 1 1 A 24 24 LEU H H 24 9.131 9.733 -0.602 1
1 238 . 11 1 1 A 24 24 LEU HA H 24 4.627 5.122 -0.495 1
1 248 . 11 1 1 A 24 24 LEU C C 24 175.354 175.556 -0.202 1
1 249 . 11 1 1 A 24 24 LEU CA C 24 53.963 53.530 0.433 1
1 250 . 11 1 1 A 24 24 LEU CB C 24 47.315 46.076 1.239 1
1 254 . 11 1 1 A 24 24 LEU N N 24 122.880 123.279 -0.399 1
1 255 . 11 1 1 A 25 25 LEU H H 25 7.968 8.859 -0.891 1
1 256 . 11 1 1 A 25 25 LEU HA H 25 5.056 5.518 -0.462 1
1 266 . 11 1 1 A 25 25 LEU C C 25 175.766 174.927 0.839 1
1 267 . 11 1 1 A 25 25 LEU CA C 25 54.810 54.287 0.523 1
1 268 . 11 1 1 A 25 25 LEU CB C 25 44.065 42.568 1.497 1
1 272 . 11 1 1 A 25 25 LEU N N 25 119.755 121.743 -1.988 1
1 273 . 11 1 1 A 26 26 LYS H H 26 9.307 8.760 0.547 1
1 274 . 11 1 1 A 26 26 LYS HA H 26 5.166 4.636 0.530 1
1 283 . 11 1 1 A 26 26 LYS C C 26 175.778 175.210 0.568 1
1 284 . 11 1 1 A 26 26 LYS CA C 26 54.687 55.854 -1.167 1
1 285 . 11 1 1 A 26 26 LYS CB C 26 37.033 32.789 4.244 1
1 289 . 11 1 1 A 26 26 LYS N N 26 122.635 126.173 -3.538 1
1 290 . 11 1 1 A 27 27 GLN H H 27 8.228 8.589 -0.361 1
1 291 . 11 1 1 A 27 27 GLN HA H 27 3.839 3.938 -0.099 1
1 298 . 11 1 1 A 27 27 GLN C C 27 176.869 176.597 0.272 1
1 299 . 11 1 1 A 27 27 GLN CA C 27 55.922 56.190 -0.268 1
1 300 . 11 1 1 A 27 27 GLN CB C 27 29.589 28.894 0.695 1
1 302 . 11 1 1 A 27 27 GLN N N 27 132.145 125.295 6.850 1
1 304 . 11 1 1 A 28 28 GLY H H 28 8.434 7.765 0.669 1
1 305 . 11 1 1 A 28 28 GLY HA2 H 28 4.144 4.035 0.109 1
1 306 . 11 1 1 A 28 28 GLY HA3 H 28 3.999 4.140 -0.141 1
1 307 . 11 1 1 A 28 28 GLY CA C 28 45.457 44.769 0.688 1
1 308 . 11 1 1 A 28 28 GLY N N 28 114.691 107.057 7.634 1
1 309 . 11 1 1 A 29 29 HIS HA H 29 4.352 4.265 0.087 1
1 314 . 11 1 1 A 29 29 HIS CA C 29 58.505 58.438 0.067 1
1 315 . 11 1 1 A 29 29 HIS CB C 29 30.967 30.593 0.374 1
1 318 . 11 1 1 A 30 30 ARG HA H 30 4.114 3.701 0.413 1
1 325 . 11 1 1 A 30 30 ARG CA C 30 56.429 59.310 -2.881 1
1 326 . 11 1 1 A 30 30 ARG CB C 30 29.591 29.509 0.082 1
1 329 . 11 1 1 A 31 31 ARG HA H 31 3.774 3.843 -0.069 1
1 336 . 11 1 1 A 31 31 ARG C C 31 175.536 175.883 -0.347 1
1 337 . 11 1 1 A 31 31 ARG CA C 31 55.922 56.632 -0.710 1
1 338 . 11 1 1 A 31 31 ARG CB C 31 29.302 28.694 0.608 1
1 341 . 11 1 1 A 32 32 LYS H H 32 8.011 8.417 -0.406 1
1 342 . 11 1 1 A 32 32 LYS HA H 32 4.164 4.486 -0.322 1
1 351 . 11 1 1 A 32 32 LYS C C 32 175.741 175.630 0.111 1
1 352 . 11 1 1 A 32 32 LYS CA C 32 56.239 57.578 -1.339 1
1 353 . 11 1 1 A 32 32 LYS CB C 32 32.016 35.568 -3.552 1
1 357 . 11 1 1 A 32 32 LYS N N 32 117.463 127.503 -10.040 1
1 358 . 11 1 1 A 33 33 ASN H H 33 7.870 7.794 0.076 1
1 359 . 11 1 1 A 33 33 ASN HA H 33 4.807 5.027 -0.220 1
1 364 . 11 1 1 A 33 33 ASN C C 33 173.681 173.642 0.039 1
1 365 . 11 1 1 A 33 33 ASN CA C 33 52.551 52.978 -0.427 1
1 366 . 11 1 1 A 33 33 ASN CB C 33 39.830 42.182 -2.352 1
1 367 . 11 1 1 A 33 33 ASN N N 33 117.522 115.291 2.231 1
1 369 . 11 1 1 A 34 34 TRP H H 34 8.704 8.712 -0.008 1
1 370 . 11 1 1 A 34 34 TRP HA H 34 4.807 4.705 0.102 1
1 379 . 11 1 1 A 34 34 TRP C C 34 176.129 176.170 -0.041 1
1 380 . 11 1 1 A 34 34 TRP CA C 34 56.540 58.104 -1.564 1
1 381 . 11 1 1 A 34 34 TRP CB C 34 31.399 29.332 2.067 1
1 387 . 11 1 1 A 34 34 TRP N N 34 121.620 125.648 -4.028 1
1 389 . 11 1 1 A 35 35 LYS H H 35 8.457 8.746 -0.289 1
1 390 . 11 1 1 A 35 35 LYS HA H 35 4.876 4.883 -0.007 1
1 399 . 11 1 1 A 35 35 LYS C C 35 176.081 175.777 0.304 1
1 400 . 11 1 1 A 35 35 LYS CA C 35 54.298 55.014 -0.716 1
1 401 . 11 1 1 A 35 35 LYS CB C 35 36.498 34.571 1.927 1
1 405 . 11 1 1 A 35 35 LYS N N 35 120.816 126.140 -5.324 1
1 406 . 11 1 1 A 36 36 VAL H H 36 8.974 8.253 0.721 1
1 407 . 11 1 1 A 36 36 VAL HA H 36 4.254 5.047 -0.793 1
1 415 . 11 1 1 A 36 36 VAL C C 36 176.808 175.353 1.455 1
1 416 . 11 1 1 A 36 36 VAL CA C 36 63.828 60.941 2.887 1
1 417 . 11 1 1 A 36 36 VAL CB C 36 31.687 33.730 -2.043 1
1 420 . 11 1 1 A 36 36 VAL N N 36 123.825 120.177 3.648 1
1 421 . 11 1 1 A 37 37 ARG H H 37 9.327 8.951 0.376 1
1 422 . 11 1 1 A 37 37 ARG HA H 37 4.930 4.887 0.043 1
1 427 . 11 1 1 A 37 37 ARG C C 37 173.815 174.295 -0.480 1
1 428 . 11 1 1 A 37 37 ARG CA C 37 54.351 54.347 0.004 1
1 429 . 11 1 1 A 37 37 ARG CB C 37 34.709 34.289 0.420 1
1 432 . 11 1 1 A 37 37 ARG N N 37 128.926 125.407 3.519 1
1 433 . 11 1 1 A 38 38 LYS H H 38 8.714 8.726 -0.012 1
1 434 . 11 1 1 A 38 38 LYS HA H 38 4.959 4.844 0.115 1
1 443 . 11 1 1 A 38 38 LYS C C 38 175.075 175.238 -0.163 1
1 444 . 11 1 1 A 38 38 LYS CA C 38 55.869 56.069 -0.200 1
1 445 . 11 1 1 A 38 38 LYS CB C 38 34.072 33.773 0.299 1
1 449 . 11 1 1 A 38 38 LYS N N 38 121.669 122.629 -0.960 1
1 450 . 11 1 1 A 39 39 PHE H H 39 9.751 9.500 0.251 1
1 451 . 11 1 1 A 39 39 PHE HA H 39 5.591 5.312 0.279 1
1 459 . 11 1 1 A 39 39 PHE C C 39 175.414 174.683 0.731 1
1 460 . 11 1 1 A 39 39 PHE CA C 39 57.474 56.757 0.717 1
1 461 . 11 1 1 A 39 39 PHE CB C 39 42.667 41.521 1.146 1
1 467 . 11 1 1 A 39 39 PHE N N 39 127.216 124.097 3.119 1
1 468 . 11 1 1 A 40 40 ILE H H 40 9.246 10.478 -1.232 1
1 469 . 11 1 1 A 40 40 ILE HA H 40 4.864 5.219 -0.355 1
1 479 . 11 1 1 A 40 40 ILE C C 40 174.724 174.552 0.172 1
1 480 . 11 1 1 A 40 40 ILE CA C 40 62.134 60.221 1.913 1
1 481 . 11 1 1 A 40 40 ILE CB C 40 41.022 40.100 0.922 1
1 485 . 11 1 1 A 40 40 ILE N N 40 119.337 124.266 -4.929 1
1 486 . 11 1 1 A 41 41 LEU H H 41 9.549 9.484 0.065 1
1 487 . 11 1 1 A 41 41 LEU HA H 41 5.485 5.349 0.136 1
1 497 . 11 1 1 A 41 41 LEU C C 41 174.457 175.198 -0.741 1
1 498 . 11 1 1 A 41 41 LEU CA C 41 54.004 53.642 0.362 1
1 499 . 11 1 1 A 41 41 LEU CB C 41 45.299 45.572 -0.273 1
1 503 . 11 1 1 A 41 41 LEU N N 41 132.451 130.948 1.503 1
1 504 . 11 1 1 A 42 42 ARG H H 42 9.383 9.010 0.373 1
1 505 . 11 1 1 A 42 42 ARG HA H 42 5.492 5.332 0.160 1
1 513 . 11 1 1 A 42 42 ARG C C 42 174.893 175.300 -0.407 1
1 514 . 11 1 1 A 42 42 ARG CA C 42 54.421 54.720 -0.299 1
1 515 . 11 1 1 A 42 42 ARG CB C 42 35.470 33.554 1.916 1
1 518 . 11 1 1 A 42 42 ARG N N 42 128.467 124.212 4.255 1
1 520 . 11 1 1 A 43 43 GLU H H 43 8.259 8.251 0.008 1
1 521 . 11 1 1 A 43 43 GLU HA H 43 4.366 4.787 -0.421 1
1 526 . 11 1 1 A 43 43 GLU C C 43 174.893 175.810 -0.917 1
1 527 . 11 1 1 A 43 43 GLU CA C 43 54.898 55.726 -0.828 1
1 528 . 11 1 1 A 43 43 GLU CB C 43 33.102 31.027 2.075 1
1 530 . 11 1 1 A 43 43 GLU N N 43 115.434 121.543 -6.109 1
1 531 . 11 1 1 A 44 44 ASP H H 44 7.870 9.043 -1.173 1
1 532 . 11 1 1 A 44 44 ASP HA H 44 4.433 4.273 0.160 1
1 535 . 11 1 1 A 44 44 ASP C C 44 172.991 174.299 -1.308 1
1 536 . 11 1 1 A 44 44 ASP CA C 44 53.892 54.964 -1.072 1
1 537 . 11 1 1 A 44 44 ASP CB C 44 41.146 39.557 1.589 1
1 538 . 11 1 1 A 44 44 ASP N N 44 114.444 119.997 -5.553 1
1 539 . 11 1 1 A 45 45 PRO HA H 45 4.710 4.568 0.142 1
1 546 . 11 1 1 A 45 45 PRO C C 45 176.747 175.395 1.352 1
1 547 . 11 1 1 A 45 45 PRO CA C 45 63.246 62.554 0.692 1
1 548 . 11 1 1 A 45 45 PRO CB C 45 34.977 32.603 2.374 1
1 551 . 11 1 1 A 46 46 ALA H H 46 8.356 8.258 0.098 1
1 552 . 11 1 1 A 46 46 ALA HA H 46 5.049 4.991 0.058 1
1 556 . 11 1 1 A 46 46 ALA C C 46 175.499 176.450 -0.951 1
1 557 . 11 1 1 A 46 46 ALA CA C 46 51.545 50.679 0.866 1
1 558 . 11 1 1 A 46 46 ALA CB C 46 19.655 19.769 -0.114 1
1 559 . 11 1 1 A 46 46 ALA N N 46 122.969 123.536 -0.567 1
1 560 . 11 1 1 A 47 47 TYR H H 47 8.047 9.353 -1.306 1
1 561 . 11 1 1 A 47 47 TYR HA H 47 5.097 5.299 -0.202 1
1 568 . 11 1 1 A 47 47 TYR C C 47 173.730 174.426 -0.696 1
1 569 . 11 1 1 A 47 47 TYR CA C 47 57.563 56.606 0.957 1
1 570 . 11 1 1 A 47 47 TYR CB C 47 45.711 43.675 2.036 1
1 575 . 11 1 1 A 47 47 TYR N N 47 126.550 120.122 6.428 1
1 576 . 11 1 1 A 48 48 LEU H H 48 8.776 8.466 0.310 1
1 577 . 11 1 1 A 48 48 LEU HA H 48 5.578 5.273 0.305 1
1 587 . 11 1 1 A 48 48 LEU C C 48 175.039 174.705 0.334 1
1 588 . 11 1 1 A 48 48 LEU CA C 48 53.134 54.378 -1.244 1
1 589 . 11 1 1 A 48 48 LEU CB C 48 46.369 45.774 0.595 1
1 593 . 11 1 1 A 48 48 LEU N N 48 120.864 122.126 -1.262 1
1 594 . 11 1 1 A 49 49 HIS H H 49 8.974 9.163 -0.189 1
1 595 . 11 1 1 A 49 49 HIS HA H 49 5.181 5.029 0.152 1
1 600 . 11 1 1 A 49 49 HIS C C 49 174.712 174.013 0.699 1
1 601 . 11 1 1 A 49 49 HIS CA C 49 57.916 54.464 3.452 1
1 602 . 11 1 1 A 49 49 HIS CB C 49 35.347 32.168 3.179 1
1 605 . 11 1 1 A 49 49 HIS N N 49 124.417 126.176 -1.759 1
1 606 . 11 1 1 A 50 50 TYR H H 50 7.348 8.051 -0.703 1
1 607 . 11 1 1 A 50 50 TYR HA H 50 5.909 5.708 0.201 1
1 614 . 11 1 1 A 50 50 TYR C C 50 174.239 172.686 1.553 1
1 615 . 11 1 1 A 50 50 TYR CA C 50 53.610 55.043 -1.433 1
1 616 . 11 1 1 A 50 50 TYR CB C 50 40.077 41.480 -1.403 1
1 621 . 11 1 1 A 50 50 TYR N N 50 114.323 118.512 -4.189 1
1 622 . 11 1 1 A 51 51 TYR H H 51 9.230 9.263 -0.033 1
1 623 . 11 1 1 A 51 51 TYR HA H 51 4.555 5.075 -0.520 1
1 630 . 11 1 1 A 51 51 TYR C C 51 175.572 174.757 0.815 1
1 631 . 11 1 1 A 51 51 TYR CA C 51 57.175 56.456 0.719 1
1 632 . 11 1 1 A 51 51 TYR CB C 51 42.709 41.913 0.796 1
1 637 . 11 1 1 A 51 51 TYR N N 51 117.695 120.915 -3.220 1
1 638 . 11 1 1 A 52 52 ASP H H 52 9.390 8.678 0.712 1
1 639 . 11 1 1 A 52 52 ASP HA H 52 4.937 4.804 0.133 1
1 642 . 11 1 1 A 52 52 ASP CA C 52 52.057 52.158 -0.101 1
1 643 . 11 1 1 A 52 52 ASP CB C 52 42.197 41.674 0.523 1
1 644 . 11 1 1 A 52 52 ASP N N 52 123.964 122.997 0.967 1
1 645 . 11 1 1 A 53 53 PRO HA H 53 4.274 4.420 -0.146 1
1 652 . 11 1 1 A 53 53 PRO C C 53 176.360 178.306 -1.946 1
1 653 . 11 1 1 A 53 53 PRO CA C 53 64.728 65.247 -0.519 1
1 654 . 11 1 1 A 53 53 PRO CB C 53 32.016 32.010 0.006 1
1 657 . 11 1 1 A 54 54 ALA H H 54 8.384 8.353 0.031 1
1 658 . 11 1 1 A 54 54 ALA HA H 54 4.492 4.130 0.362 1
1 662 . 11 1 1 A 54 54 ALA C C 54 177.620 177.966 -0.346 1
1 663 . 11 1 1 A 54 54 ALA CA C 54 52.022 53.990 -1.968 1
1 664 . 11 1 1 A 54 54 ALA CB C 54 19.202 19.625 -0.423 1
1 665 . 11 1 1 A 54 54 ALA N N 54 120.140 119.264 0.876 1
1 666 . 11 1 1 A 55 55 GLY H H 55 7.710 8.176 -0.466 1
1 667 . 11 1 1 A 55 55 GLY HA2 H 55 4.194 4.019 0.175 1
1 668 . 11 1 1 A 55 55 GLY HA3 H 55 3.833 4.023 -0.190 1
1 669 . 11 1 1 A 55 55 GLY C C 55 173.524 171.625 1.899 1
1 670 . 11 1 1 A 55 55 GLY CA C 55 45.421 45.570 -0.149 1
1 671 . 11 1 1 A 55 55 GLY N N 55 107.828 102.887 4.941 1
1 672 . 11 1 1 A 56 56 ALA H H 56 8.339 8.390 -0.051 1
1 673 . 11 1 1 A 56 56 ALA HA H 56 4.378 4.830 -0.452 1
1 677 . 11 1 1 A 56 56 ALA C C 56 177.741 176.368 1.373 1
1 678 . 11 1 1 A 56 56 ALA CA C 56 52.410 51.336 1.074 1
1 679 . 11 1 1 A 56 56 ALA CB C 56 19.843 23.023 -3.180 1
1 680 . 11 1 1 A 56 56 ALA N N 56 125.269 122.758 2.511 1
1 681 . 11 1 1 A 57 57 GLU H H 57 8.567 9.096 -0.529 1
1 682 . 11 1 1 A 57 57 GLU HA H 57 4.160 4.493 -0.333 1
1 687 . 11 1 1 A 57 57 GLU C C 57 176.335 175.770 0.565 1
1 688 . 11 1 1 A 57 57 GLU CA C 57 57.616 57.952 -0.336 1
1 689 . 11 1 1 A 57 57 GLU CB C 57 30.083 32.320 -2.237 1
1 691 . 11 1 1 A 57 57 GLU N N 57 119.341 118.286 1.055 1
1 692 . 11 1 1 A 58 58 ASP H H 58 7.718 7.965 -0.247 1
1 693 . 11 1 1 A 58 58 ASP HA H 58 5.010 4.885 0.125 1
1 696 . 11 1 1 A 58 58 ASP C C 58 173.209 175.090 -1.881 1
1 697 . 11 1 1 A 58 58 ASP CA C 58 52.128 52.313 -0.185 1
1 698 . 11 1 1 A 58 58 ASP CB C 58 40.981 41.332 -0.351 1
1 699 . 11 1 1 A 58 58 ASP N N 58 118.499 116.721 1.778 1
1 700 . 11 1 1 A 59 59 PRO HA H 59 3.493 4.145 -0.652 1
1 707 . 11 1 1 A 59 59 PRO C C 59 177.111 177.819 -0.708 1
1 708 . 11 1 1 A 59 59 PRO CA C 59 63.069 62.366 0.703 1
1 709 . 11 1 1 A 59 59 PRO CB C 59 31.229 31.452 -0.223 1
1 712 . 11 1 1 A 60 60 LEU H H 60 8.770 8.342 0.428 1
1 713 . 11 1 1 A 60 60 LEU HA H 60 4.114 3.965 0.149 1
1 723 . 11 1 1 A 60 60 LEU C C 60 177.268 176.684 0.584 1
1 724 . 11 1 1 A 60 60 LEU CA C 60 55.181 56.930 -1.749 1
1 725 . 11 1 1 A 60 60 LEU CB C 60 42.750 42.269 0.481 1
1 729 . 11 1 1 A 60 60 LEU N N 60 121.907 121.373 0.534 1
1 730 . 11 1 1 A 61 61 GLY H H 61 6.472 6.600 -0.128 1
1 731 . 11 1 1 A 61 61 GLY HA2 H 61 3.798 3.847 -0.049 1
1 732 . 11 1 1 A 61 61 GLY HA3 H 61 3.382 3.868 -0.486 1
1 733 . 11 1 1 A 61 61 GLY C C 61 169.367 170.522 -1.155 1
1 734 . 11 1 1 A 61 61 GLY CA C 61 45.033 45.522 -0.489 1
1 735 . 11 1 1 A 61 61 GLY N N 61 103.740 103.561 0.179 1
1 736 . 11 1 1 A 62 62 ALA H H 62 8.024 8.108 -0.084 1
1 737 . 11 1 1 A 62 62 ALA HA H 62 4.644 4.956 -0.312 1
1 741 . 11 1 1 A 62 62 ALA C C 62 176.226 175.515 0.711 1
1 742 . 11 1 1 A 62 62 ALA CA C 62 50.839 50.927 -0.088 1
1 743 . 11 1 1 A 62 62 ALA CB C 62 23.914 22.149 1.765 1
1 744 . 11 1 1 A 62 62 ALA N N 62 120.249 121.062 -0.813 1
1 745 . 11 1 1 A 63 63 ILE H H 63 8.810 8.880 -0.070 1
1 746 . 11 1 1 A 63 63 ILE HA H 63 4.119 4.903 -0.784 1
1 756 . 11 1 1 A 63 63 ILE C C 63 174.724 175.628 -0.904 1
1 757 . 11 1 1 A 63 63 ILE CA C 63 60.757 60.501 0.256 1
1 758 . 11 1 1 A 63 63 ILE CB C 63 40.319 40.020 0.299 1
1 762 . 11 1 1 A 63 63 ILE N N 63 122.110 119.515 2.595 1
1 763 . 11 1 1 A 64 64 HIS H H 64 9.073 9.111 -0.038 1
1 764 . 11 1 1 A 64 64 HIS HA H 64 3.948 4.589 -0.641 1
1 769 . 11 1 1 A 64 64 HIS C C 64 176.529 175.369 1.160 1
1 770 . 11 1 1 A 64 64 HIS CA C 64 54.951 57.493 -2.542 1
1 771 . 11 1 1 A 64 64 HIS CB C 64 30.494 30.854 -0.360 1
1 774 . 11 1 1 A 64 64 HIS N N 64 129.092 127.968 1.124 1
1 775 . 11 1 1 A 65 65 LEU H H 65 7.770 7.904 -0.134 1
1 776 . 11 1 1 A 65 65 LEU HA H 65 4.074 4.536 -0.462 1
1 786 . 11 1 1 A 65 65 LEU C C 65 176.808 176.951 -0.143 1
1 787 . 11 1 1 A 65 65 LEU CA C 65 54.951 54.496 0.455 1
1 788 . 11 1 1 A 65 65 LEU CB C 65 42.667 42.560 0.107 1
1 792 . 11 1 1 A 65 65 LEU N N 65 124.760 127.972 -3.212 1
1 793 . 11 1 1 A 66 66 ARG H H 66 6.515 7.658 -1.143 1
1 794 . 11 1 1 A 66 66 ARG HA H 66 4.085 3.863 0.222 1
1 801 . 11 1 1 A 66 66 ARG C C 66 178.638 176.703 1.935 1
1 802 . 11 1 1 A 66 66 ARG CA C 66 58.092 57.776 0.316 1
1 803 . 11 1 1 A 66 66 ARG CB C 66 29.525 29.600 -0.075 1
1 806 . 11 1 1 A 66 66 ARG N N 66 120.462 120.105 0.357 1
1 807 . 11 1 1 A 67 67 GLY H H 67 9.300 7.417 1.883 1
1 808 . 11 1 1 A 67 67 GLY HA2 H 67 4.045 4.010 0.035 1
1 809 . 11 1 1 A 67 67 GLY HA3 H 67 3.826 4.023 -0.197 1
1 810 . 11 1 1 A 67 67 GLY C C 67 173.996 173.801 0.195 1
1 811 . 11 1 1 A 67 67 GLY CA C 67 46.162 45.637 0.525 1
1 812 . 11 1 1 A 67 67 GLY N N 67 118.040 105.641 12.399 1
1 813 . 11 1 1 A 68 68 CYS H H 68 7.789 7.551 0.238 1
1 814 . 11 1 1 A 68 68 CYS HA H 68 4.779 4.473 0.306 1
1 817 . 11 1 1 A 68 68 CYS C C 68 173.148 174.027 -0.879 1
1 818 . 11 1 1 A 68 68 CYS CA C 68 57.545 59.168 -1.623 1
1 819 . 11 1 1 A 68 68 CYS CB C 68 28.644 28.676 -0.032 1
1 820 . 11 1 1 A 68 68 CYS N N 68 116.032 118.794 -2.762 1
1 821 . 11 1 1 A 69 69 VAL H H 69 8.665 9.525 -0.860 1
1 822 . 11 1 1 A 69 69 VAL HA H 69 4.364 4.950 -0.586 1
1 830 . 11 1 1 A 69 69 VAL C C 69 174.154 175.093 -0.939 1
1 831 . 11 1 1 A 69 69 VAL CA C 69 61.464 60.378 1.086 1
1 832 . 11 1 1 A 69 69 VAL CB C 69 35.041 35.428 -0.387 1
1 835 . 11 1 1 A 69 69 VAL N N 69 120.327 121.536 -1.209 1
1 836 . 11 1 1 A 70 70 VAL H H 70 8.656 8.638 0.018 1
1 837 . 11 1 1 A 70 70 VAL HA H 70 5.543 5.141 0.402 1
1 845 . 11 1 1 A 70 70 VAL C C 70 174.105 175.225 -1.120 1
1 846 . 11 1 1 A 70 70 VAL CA C 70 59.028 60.846 -1.818 1
1 847 . 11 1 1 A 70 70 VAL CB C 70 34.237 34.600 -0.363 1
1 850 . 11 1 1 A 70 70 VAL N N 70 124.719 125.226 -0.507 1
1 851 . 11 1 1 A 71 71 THR H H 71 8.883 8.729 0.154 1
1 852 . 11 1 1 A 71 71 THR HA H 71 4.724 4.770 -0.046 1
1 857 . 11 1 1 A 71 71 THR C C 71 173.087 172.069 1.018 1
1 858 . 11 1 1 A 71 71 THR CA C 71 59.875 60.565 -0.690 1
1 859 . 11 1 1 A 71 71 THR CB C 71 71.290 70.222 1.068 1
1 861 . 11 1 1 A 71 71 THR N N 71 120.107 120.487 -0.380 1
1 862 . 11 1 1 A 72 72 SER H H 72 8.706 8.659 0.047 1
1 863 . 11 1 1 A 72 72 SER HA H 72 4.455 5.184 -0.729 1
1 866 . 11 1 1 A 72 72 SER C C 72 174.082 174.320 -0.238 1
1 867 . 11 1 1 A 72 72 SER CA C 72 59.204 57.234 1.970 1
1 868 . 11 1 1 A 72 72 SER CB C 72 63.476 65.701 -2.225 1
1 869 . 11 1 1 A 72 72 SER N N 72 120.128 119.495 0.633 1
1 870 . 11 1 1 A 73 73 VAL H H 73 7.825 8.694 -0.869 1
1 871 . 11 1 1 A 73 73 VAL HA H 73 4.302 4.338 -0.036 1
1 879 . 11 1 1 A 73 73 VAL C C 73 175.160 175.896 -0.736 1
1 880 . 11 1 1 A 73 73 VAL CA C 73 62.010 60.720 1.290 1
1 881 . 11 1 1 A 73 73 VAL CB C 73 33.579 33.456 0.123 1
1 884 . 11 1 1 A 73 73 VAL N N 73 125.377 119.187 6.190 1
1 885 . 11 1 1 A 74 74 GLU H H 74 8.706 8.802 -0.096 1
1 886 . 11 1 1 A 74 74 GLU HA H 74 4.544 4.510 0.034 1
1 891 . 11 1 1 A 74 74 GLU C C 74 176.420 176.123 0.297 1
1 892 . 11 1 1 A 74 74 GLU CA C 74 55.622 58.070 -2.448 1
1 893 . 11 1 1 A 74 74 GLU CB C 74 30.741 31.854 -1.113 1
1 895 . 11 1 1 A 74 74 GLU N N 74 126.564 122.093 4.471 1
1 896 . 11 1 1 A 75 75 SER H H 75 8.639 7.993 0.646 1
1 897 . 11 1 1 A 75 75 SER HA H 75 4.447 4.584 -0.137 1
1 900 . 11 1 1 A 75 75 SER C C 75 174.299 172.626 1.673 1
1 901 . 11 1 1 A 75 75 SER CA C 75 58.339 58.229 0.110 1
1 902 . 11 1 1 A 75 75 SER CB C 75 64.170 62.853 1.317 1
1 903 . 11 1 1 A 75 75 SER N N 75 117.961 114.381 3.580 1
1 904 . 11 1 1 A 76 76 ASN H H 76 8.672 9.034 -0.362 1
1 905 . 11 1 1 A 76 76 ASN HA H 76 4.795 5.364 -0.569 1
1 910 . 11 1 1 A 76 76 ASN C C 76 175.584 173.774 1.810 1
1 911 . 11 1 1 A 76 76 ASN CA C 76 53.292 52.479 0.813 1
1 912 . 11 1 1 A 76 76 ASN CB C 76 39.089 43.137 -4.048 1
1 913 . 11 1 1 A 76 76 ASN N N 76 121.138 119.404 1.734 1
1 915 . 11 1 1 A 78 78 ASN HA H 78 4.635 4.851 -0.216 1
1 920 . 11 1 1 A 78 78 ASN C C 78 175.681 175.837 -0.156 1
1 921 . 11 1 1 A 78 78 ASN CA C 78 53.610 54.602 -0.992 1
1 922 . 11 1 1 A 78 78 ASN CB C 78 38.496 40.196 -1.700 1
1 924 . 11 1 1 A 79 79 GLY H H 79 8.356 7.456 0.900 1
1 925 . 11 1 1 A 79 79 GLY HA2 H 79 3.821 4.112 -0.291 1
1 926 . 11 1 1 A 79 79 GLY HA3 H 79 4.011 4.114 -0.103 1
1 927 . 11 1 1 A 79 79 GLY C C 79 174.154 173.332 0.822 1
1 928 . 11 1 1 A 79 79 GLY CA C 79 45.563 45.165 0.398 1
1 929 . 11 1 1 A 79 79 GLY N N 79 108.284 106.283 2.001 1
1 930 . 11 1 1 A 80 80 ARG H H 80 7.919 7.972 -0.053 1
1 931 . 11 1 1 A 80 80 ARG HA H 80 4.344 4.487 -0.143 1
1 938 . 11 1 1 A 80 80 ARG C C 80 176.117 174.953 1.164 1
1 939 . 11 1 1 A 80 80 ARG CA C 80 55.905 55.906 -0.001 1
1 940 . 11 1 1 A 80 80 ARG CB C 80 30.782 32.727 -1.945 1
1 943 . 11 1 1 A 80 80 ARG N N 80 120.470 120.419 0.051 1
1 944 . 11 1 1 A 81 81 LYS H H 81 8.427 8.561 -0.134 1
1 945 . 11 1 1 A 81 81 LYS HA H 81 4.350 4.281 0.069 1
1 954 . 11 1 1 A 81 81 LYS C C 81 176.808 175.010 1.798 1
1 955 . 11 1 1 A 81 81 LYS CA C 81 56.416 58.527 -2.111 1
1 956 . 11 1 1 A 81 81 LYS CB C 81 32.797 31.592 1.205 1
1 960 . 11 1 1 A 81 81 LYS N N 81 122.963 126.259 -3.296 1
1 961 . 11 1 1 A 82 82 SER H H 82 8.440 8.811 -0.371 1
1 962 . 11 1 1 A 82 82 SER HA H 82 4.380 4.745 -0.365 1
1 965 . 11 1 1 A 82 82 SER C C 82 174.833 173.611 1.222 1
1 966 . 11 1 1 A 82 82 SER CA C 82 58.763 58.402 0.361 1
1 967 . 11 1 1 A 82 82 SER CB C 82 63.723 63.854 -0.131 1
1 968 . 11 1 1 A 82 82 SER N N 82 118.053 118.792 -0.739 1
1 969 . 11 1 1 A 83 83 GLU H H 83 8.648 8.750 -0.102 1
1 970 . 11 1 1 A 83 83 GLU HA H 83 4.233 4.489 -0.256 1
1 975 . 11 1 1 A 83 83 GLU C C 83 176.311 176.170 0.141 1
1 976 . 11 1 1 A 83 83 GLU CA C 83 57.104 57.771 -0.667 1
1 977 . 11 1 1 A 83 83 GLU CB C 83 29.795 30.975 -1.180 1
1 979 . 11 1 1 A 83 83 GLU N N 83 121.793 125.803 -4.010 1
1 980 . 11 1 1 A 84 84 GLU H H 84 8.088 7.723 0.365 1
1 981 . 11 1 1 A 84 84 GLU HA H 84 4.161 4.414 -0.253 1
1 986 . 11 1 1 A 84 84 GLU C C 84 175.523 175.414 0.109 1
1 987 . 11 1 1 A 84 84 GLU CA C 84 56.275 54.944 1.331 1
1 988 . 11 1 1 A 84 84 GLU CB C 84 30.165 32.811 -2.646 1
1 990 . 11 1 1 A 84 84 GLU N N 84 119.385 116.897 2.488 1
1 991 . 11 1 1 A 85 85 GLU H H 85 7.907 8.410 -0.503 1
1 992 . 11 1 1 A 85 85 GLU HA H 85 4.350 4.351 -0.001 1
1 997 . 11 1 1 A 85 85 GLU C C 85 175.002 176.584 -1.582 1
1 998 . 11 1 1 A 85 85 GLU CA C 85 55.569 55.801 -0.232 1
1 999 . 11 1 1 A 85 85 GLU CB C 85 32.098 30.875 1.223 1
1 1001 . 11 1 1 A 85 85 GLU N N 85 120.414 124.603 -4.189 1
1 1002 . 11 1 1 A 86 86 ASN H H 86 8.569 8.633 -0.064 1
1 1003 . 11 1 1 A 86 86 ASN HA H 86 4.225 4.914 -0.689 1
1 1008 . 11 1 1 A 86 86 ASN C C 86 175.147 175.045 0.102 1
1 1009 . 11 1 1 A 86 86 ASN CA C 86 54.068 53.272 0.796 1
1 1010 . 11 1 1 A 86 86 ASN CB C 86 38.185 38.935 -0.750 1
1 1011 . 11 1 1 A 86 86 ASN N N 86 114.602 118.481 -3.879 1
1 1013 . 11 1 1 A 87 87 LEU H H 87 8.483 8.924 -0.441 1
1 1014 . 11 1 1 A 87 87 LEU HA H 87 5.186 5.414 -0.228 1
1 1024 . 11 1 1 A 87 87 LEU C C 87 178.480 175.556 2.924 1
1 1025 . 11 1 1 A 87 87 LEU CA C 87 55.128 53.131 1.997 1
1 1026 . 11 1 1 A 87 87 LEU CB C 87 44.559 46.016 -1.457 1
1 1030 . 11 1 1 A 87 87 LEU N N 87 121.334 124.108 -2.774 1
1 1031 . 11 1 1 A 88 88 PHE H H 88 9.512 8.257 1.255 1
1 1032 . 11 1 1 A 88 88 PHE HA H 88 5.156 4.811 0.345 1
1 1040 . 11 1 1 A 88 88 PHE C C 88 170.288 171.740 -1.452 1
1 1041 . 11 1 1 A 88 88 PHE CA C 88 56.787 56.019 0.768 1
1 1042 . 11 1 1 A 88 88 PHE CB C 88 41.763 41.127 0.636 1
1 1048 . 11 1 1 A 88 88 PHE N N 88 119.324 115.799 3.525 1
1 1049 . 11 1 1 A 89 89 GLU H H 89 9.028 8.726 0.302 1
1 1050 . 11 1 1 A 89 89 GLU HA H 89 5.293 5.296 -0.003 1
1 1055 . 11 1 1 A 89 89 GLU C C 89 175.245 175.105 0.140 1
1 1056 . 11 1 1 A 89 89 GLU CA C 89 53.433 55.174 -1.741 1
1 1057 . 11 1 1 A 89 89 GLU CB C 89 34.566 32.373 2.193 1
1 1059 . 11 1 1 A 89 89 GLU N N 89 121.829 119.771 2.058 1
1 1060 . 11 1 1 A 90 90 ILE H H 90 8.655 8.778 -0.123 1
1 1061 . 11 1 1 A 90 90 ILE HA H 90 4.793 4.727 0.066 1
1 1071 . 11 1 1 A 90 90 ILE C C 90 174.808 175.340 -0.532 1
1 1072 . 11 1 1 A 90 90 ILE CA C 90 59.857 60.313 -0.456 1
1 1073 . 11 1 1 A 90 90 ILE CB C 90 41.886 39.977 1.909 1
1 1077 . 11 1 1 A 90 90 ILE N N 90 123.446 126.290 -2.844 1
1 1078 . 11 1 1 A 91 91 ILE H H 91 9.199 8.882 0.317 1
1 1079 . 11 1 1 A 91 91 ILE HA H 91 4.724 4.702 0.022 1
1 1089 . 11 1 1 A 91 91 ILE C C 91 177.898 176.375 1.523 1
1 1090 . 11 1 1 A 91 91 ILE CA C 91 60.211 61.376 -1.165 1
1 1091 . 11 1 1 A 91 91 ILE CB C 91 39.043 37.611 1.432 1
1 1095 . 11 1 1 A 91 91 ILE N N 91 126.827 128.747 -1.920 1
1 1096 . 11 1 1 A 92 92 THR H H 92 9.086 8.152 0.934 1
1 1097 . 11 1 1 A 92 92 THR HA H 92 4.314 4.787 -0.473 1
1 1102 . 11 1 1 A 92 92 THR C C 92 176.857 175.127 1.730 1
1 1103 . 11 1 1 A 92 92 THR CA C 92 61.693 60.200 1.493 1
1 1104 . 11 1 1 A 92 92 THR CB C 92 70.920 70.000 0.920 1
1 1106 . 11 1 1 A 92 92 THR N N 92 117.131 117.183 -0.052 1
1 1107 . 11 1 1 A 93 93 ALA H H 93 9.192 8.847 0.345 1
1 1108 . 11 1 1 A 93 93 ALA HA H 93 4.101 4.063 0.038 1
1 1112 . 11 1 1 A 93 93 ALA C C 93 178.008 178.207 -0.199 1
1 1113 . 11 1 1 A 93 93 ALA CA C 93 54.634 54.494 0.140 1
1 1114 . 11 1 1 A 93 93 ALA CB C 93 18.198 18.408 -0.210 1
1 1115 . 11 1 1 A 93 93 ALA N N 93 123.540 123.451 0.089 1
1 1116 . 11 1 1 A 94 94 ASP H H 94 7.979 7.697 0.282 1
1 1117 . 11 1 1 A 94 94 ASP HA H 94 4.724 4.721 0.003 1
1 1120 . 11 1 1 A 94 94 ASP C C 94 174.324 175.752 -1.428 1
1 1121 . 11 1 1 A 94 94 ASP CA C 94 53.098 53.733 -0.635 1
1 1122 . 11 1 1 A 94 94 ASP CB C 94 39.336 41.363 -2.027 1
1 1123 . 11 1 1 A 94 94 ASP N N 94 113.209 116.886 -3.677 1
1 1124 . 11 1 1 A 95 95 GLU H H 95 8.152 7.888 0.264 1
1 1125 . 11 1 1 A 95 95 GLU HA H 95 3.430 3.812 -0.382 1
1 1130 . 11 1 1 A 95 95 GLU C C 95 174.578 175.492 -0.914 1
1 1131 . 11 1 1 A 95 95 GLU CA C 95 57.687 58.082 -0.395 1
1 1132 . 11 1 1 A 95 95 GLU CB C 95 26.300 27.529 -1.229 1
1 1134 . 11 1 1 A 95 95 GLU N N 95 114.010 116.246 -2.236 1
1 1135 . 11 1 1 A 96 96 VAL H H 96 7.595 7.219 0.376 1
1 1136 . 11 1 1 A 96 96 VAL HA H 96 4.063 3.841 0.222 1
1 1144 . 11 1 1 A 96 96 VAL C C 96 175.293 175.106 0.187 1
1 1145 . 11 1 1 A 96 96 VAL CA C 96 62.751 63.168 -0.417 1
1 1146 . 11 1 1 A 96 96 VAL CB C 96 31.440 31.513 -0.073 1
1 1149 . 11 1 1 A 96 96 VAL N N 96 120.925 120.409 0.516 1
1 1150 . 11 1 1 A 97 97 HIS H H 97 8.603 9.112 -0.509 1
1 1151 . 11 1 1 A 97 97 HIS HA H 97 5.234 5.257 -0.023 1
1 1156 . 11 1 1 A 97 97 HIS C C 97 174.348 173.630 0.718 1
1 1157 . 11 1 1 A 97 97 HIS CA C 97 54.404 53.804 0.600 1
1 1158 . 11 1 1 A 97 97 HIS CB C 97 30.536 32.011 -1.475 1
1 1161 . 11 1 1 A 97 97 HIS N N 97 124.160 126.849 -2.689 1
1 1162 . 11 1 1 A 98 98 TYR H H 98 9.267 9.118 0.149 1
1 1163 . 11 1 1 A 98 98 TYR HA H 98 4.532 4.986 -0.454 1
1 1170 . 11 1 1 A 98 98 TYR C C 98 173.621 174.930 -1.309 1
1 1171 . 11 1 1 A 98 98 TYR CA C 98 57.122 56.571 0.551 1
1 1172 . 11 1 1 A 98 98 TYR CB C 98 41.228 42.184 -0.956 1
1 1177 . 11 1 1 A 98 98 TYR N N 98 121.543 120.926 0.617 1
1 1178 . 11 1 1 A 99 99 PHE H H 99 8.861 9.095 -0.234 1
1 1179 . 11 1 1 A 99 99 PHE HA H 99 4.983 5.316 -0.333 1
1 1186 . 11 1 1 A 99 99 PHE C C 99 173.754 174.270 -0.516 1
1 1187 . 11 1 1 A 99 99 PHE CA C 99 57.705 56.435 1.270 1
1 1188 . 11 1 1 A 99 99 PHE CB C 99 41.516 40.093 1.423 1
1 1193 . 11 1 1 A 99 99 PHE N N 99 121.699 122.289 -0.590 1
1 1194 . 11 1 1 A 100 100 LEU H H 100 8.529 8.004 0.525 1
1 1195 . 11 1 1 A 100 100 LEU HA H 100 5.345 5.258 0.087 1
1 1205 . 11 1 1 A 100 100 LEU C C 100 174.942 174.652 0.290 1
1 1206 . 11 1 1 A 100 100 LEU CA C 100 52.781 52.562 0.219 1
1 1207 . 11 1 1 A 100 100 LEU CB C 100 44.518 42.916 1.602 1
1 1211 . 11 1 1 A 100 100 LEU N N 100 123.519 124.544 -1.025 1
1 1212 . 11 1 1 A 101 101 GLN H H 101 8.717 9.014 -0.297 1
1 1213 . 11 1 1 A 101 101 GLN HA H 101 4.886 4.981 -0.095 1
1 1220 . 11 1 1 A 101 101 GLN C C 101 175.390 175.499 -0.109 1
1 1221 . 11 1 1 A 101 101 GLN CA C 101 54.934 54.766 0.168 1
1 1222 . 11 1 1 A 101 101 GLN CB C 101 32.222 30.122 2.100 1
1 1224 . 11 1 1 A 101 101 GLN N N 101 117.786 124.900 -7.114 1
1 1226 . 11 1 1 A 102 102 ALA H H 102 8.256 8.724 -0.468 1
1 1227 . 11 1 1 A 102 102 ALA HA H 102 4.862 4.911 -0.049 1
1 1231 . 11 1 1 A 102 102 ALA C C 102 176.008 177.696 -1.688 1
1 1232 . 11 1 1 A 102 102 ALA CA C 102 50.098 50.276 -0.178 1
1 1233 . 11 1 1 A 102 102 ALA CB C 102 21.606 22.055 -0.449 1
1 1234 . 11 1 1 A 102 102 ALA N N 102 128.068 128.836 -0.768 1
1 1235 . 11 1 1 A 103 103 ALA H H 103 9.255 8.758 0.497 1
1 1236 . 11 1 1 A 103 103 ALA HA H 103 4.247 4.317 -0.070 1
1 1240 . 11 1 1 A 103 103 ALA C C 103 178.153 177.768 0.385 1
1 1241 . 11 1 1 A 103 103 ALA CA C 103 54.369 55.120 -0.751 1
1 1242 . 11 1 1 A 103 103 ALA CB C 103 20.377 19.003 1.374 1
1 1243 . 11 1 1 A 103 103 ALA N N 103 120.410 120.845 -0.435 1
1 1244 . 11 1 1 A 104 104 THR H H 104 7.149 7.867 -0.718 1
1 1245 . 11 1 1 A 104 104 THR HA H 104 4.846 4.697 0.149 1
1 1250 . 11 1 1 A 104 104 THR C C 104 173.354 173.930 -0.576 1
1 1251 . 11 1 1 A 104 104 THR CA C 104 57.810 59.132 -1.322 1
1 1252 . 11 1 1 A 104 104 THR CB C 104 71.496 70.155 1.341 1
1 1254 . 11 1 1 A 104 104 THR N N 104 103.106 109.160 -6.054 1
1 1255 . 11 1 1 A 105 105 PRO HA H 105 4.225 4.598 -0.373 1
1 1262 . 11 1 1 A 105 105 PRO C C 105 179.704 177.996 1.708 1
1 1263 . 11 1 1 A 105 105 PRO CA C 105 65.046 64.224 0.822 1
1 1264 . 11 1 1 A 105 105 PRO CB C 105 31.775 31.781 -0.006 1
1 1267 . 11 1 1 A 106 106 LYS H H 106 7.764 8.016 -0.252 1
1 1268 . 11 1 1 A 106 106 LYS HA H 106 4.036 4.061 -0.025 1
1 1277 . 11 1 1 A 106 106 LYS C C 106 177.959 178.829 -0.870 1
1 1278 . 11 1 1 A 106 106 LYS CA C 106 59.452 59.143 0.309 1
1 1279 . 11 1 1 A 106 106 LYS CB C 106 32.797 31.919 0.878 1
1 1283 . 11 1 1 A 106 106 LYS N N 106 119.261 118.425 0.836 1
1 1284 . 11 1 1 A 107 107 GLU H H 107 8.005 7.688 0.317 1
1 1285 . 11 1 1 A 107 107 GLU HA H 107 4.171 4.039 0.132 1
1 1290 . 11 1 1 A 107 107 GLU C C 107 178.529 178.403 0.126 1
1 1291 . 11 1 1 A 107 107 GLU CA C 107 59.310 59.247 0.063 1
1 1292 . 11 1 1 A 107 107 GLU CB C 107 31.111 29.146 1.965 1
1 1294 . 11 1 1 A 107 107 GLU N N 107 119.293 119.124 0.169 1
1 1295 . 11 1 1 A 108 108 ARG H H 108 7.810 7.638 0.172 1
1 1296 . 11 1 1 A 108 108 ARG HA H 108 3.603 3.988 -0.385 1
1 1303 . 11 1 1 A 108 108 ARG C C 108 176.287 178.831 -2.544 1
1 1304 . 11 1 1 A 108 108 ARG CA C 108 60.598 58.988 1.610 1
1 1305 . 11 1 1 A 108 108 ARG CB C 108 29.548 30.055 -0.507 1
1 1308 . 11 1 1 A 108 108 ARG N N 108 118.989 119.464 -0.475 1
1 1309 . 11 1 1 A 109 109 THR H H 109 8.195 8.081 0.114 1
1 1310 . 11 1 1 A 109 109 THR HA H 109 3.645 3.726 -0.081 1
1 1315 . 11 1 1 A 109 109 THR C C 109 176.227 176.618 -0.391 1
1 1316 . 11 1 1 A 109 109 THR CA C 109 67.022 67.424 -0.402 1
1 1317 . 11 1 1 A 109 109 THR CB C 109 68.576 68.161 0.415 1
1 1319 . 11 1 1 A 109 109 THR N N 109 115.975 116.222 -0.247 1
1 1320 . 11 1 1 A 110 110 GLU H H 110 8.274 7.974 0.300 1
1 1321 . 11 1 1 A 110 110 GLU HA H 110 3.794 3.875 -0.081 1
1 1326 . 11 1 1 A 110 110 GLU C C 110 180.516 179.336 1.180 1
1 1327 . 11 1 1 A 110 110 GLU CA C 110 59.534 59.756 -0.222 1
1 1328 . 11 1 1 A 110 110 GLU CB C 110 29.507 29.273 0.234 1
1 1330 . 11 1 1 A 110 110 GLU N N 110 119.565 119.109 0.456 1
1 1331 . 11 1 1 A 111 111 TRP H H 111 8.316 8.538 -0.222 1
1 1332 . 11 1 1 A 111 111 TRP HA H 111 3.912 4.298 -0.386 1
1 1341 . 11 1 1 A 111 111 TRP C C 111 178.020 178.474 -0.454 1
1 1342 . 11 1 1 A 111 111 TRP CA C 111 62.464 59.935 2.529 1
1 1343 . 11 1 1 A 111 111 TRP CB C 111 29.548 29.319 0.229 1
1 1349 . 11 1 1 A 111 111 TRP N N 111 120.868 120.706 0.162 1
1 1351 . 11 1 1 A 112 112 ILE H H 112 8.271 7.792 0.479 1
1 1352 . 11 1 1 A 112 112 ILE HA H 112 3.254 3.628 -0.374 1
1 1362 . 11 1 1 A 112 112 ILE C C 112 177.669 177.894 -0.225 1
1 1363 . 11 1 1 A 112 112 ILE CA C 112 67.040 64.906 2.134 1
1 1364 . 11 1 1 A 112 112 ILE CB C 112 37.856 37.610 0.246 1
1 1368 . 11 1 1 A 112 112 ILE N N 112 118.862 119.810 -0.948 1
1 1369 . 11 1 1 A 113 113 LYS H H 113 8.042 8.187 -0.145 1
1 1370 . 11 1 1 A 113 113 LYS HA H 113 3.991 4.020 -0.029 1
1 1379 . 11 1 1 A 113 113 LYS C C 113 178.977 179.196 -0.219 1
1 1380 . 11 1 1 A 113 113 LYS CA C 113 59.328 59.205 0.123 1
1 1381 . 11 1 1 A 113 113 LYS CB C 113 32.345 32.147 0.198 1
1 1385 . 11 1 1 A 113 113 LYS N N 113 117.182 119.854 -2.672 1
1 1386 . 11 1 1 A 114 114 ALA H H 114 7.686 8.621 -0.935 1
1 1387 . 11 1 1 A 114 114 ALA HA H 114 4.058 3.947 0.111 1
1 1391 . 11 1 1 A 114 114 ALA C C 114 179.849 179.743 0.106 1
1 1392 . 11 1 1 A 114 114 ALA CA C 114 55.146 55.030 0.116 1
1 1393 . 11 1 1 A 114 114 ALA CB C 114 18.362 18.514 -0.152 1
1 1394 . 11 1 1 A 114 114 ALA N N 114 120.689 122.039 -1.350 1
1 1395 . 11 1 1 A 115 115 ILE H H 115 8.594 9.210 -0.616 1
1 1396 . 11 1 1 A 115 115 ILE HA H 115 3.534 3.642 -0.108 1
1 1406 . 11 1 1 A 115 115 ILE C C 115 178.432 178.159 0.273 1
1 1407 . 11 1 1 A 115 115 ILE CA C 115 66.016 65.378 0.638 1
1 1408 . 11 1 1 A 115 115 ILE CB C 115 38.390 37.831 0.559 1
1 1412 . 11 1 1 A 115 115 ILE N N 115 118.898 117.884 1.014 1
1 1413 . 11 1 1 A 116 116 GLN H H 116 8.732 8.482 0.250 1
1 1414 . 11 1 1 A 116 116 GLN HA H 116 3.851 4.331 -0.480 1
1 1421 . 11 1 1 A 116 116 GLN C C 116 179.655 178.241 1.414 1
1 1422 . 11 1 1 A 116 116 GLN CA C 116 59.575 58.937 0.638 1
1 1423 . 11 1 1 A 116 116 GLN CB C 116 28.222 28.463 -0.241 1
1 1425 . 11 1 1 A 116 116 GLN N N 116 119.877 119.100 0.777 1
1 1427 . 11 1 1 A 117 117 MET H H 117 8.279 8.249 0.030 1
1 1428 . 11 1 1 A 117 117 MET HA H 117 4.155 4.027 0.128 1
1 1436 . 11 1 1 A 117 117 MET C C 117 179.123 178.138 0.985 1
1 1437 . 11 1 1 A 117 117 MET CA C 117 58.658 58.400 0.258 1
1 1438 . 11 1 1 A 117 117 MET CB C 117 31.934 32.587 -0.653 1
1 1441 . 11 1 1 A 117 117 MET N N 117 118.855 119.142 -0.287 1
1 1442 . 11 1 1 A 118 118 ALA H H 118 8.266 7.440 0.826 1
1 1443 . 11 1 1 A 118 118 ALA HA H 118 4.240 4.072 0.168 1
1 1447 . 11 1 1 A 118 118 ALA C C 118 178.820 179.524 -0.704 1
1 1448 . 11 1 1 A 118 118 ALA CA C 118 54.604 55.035 -0.431 1
1 1449 . 11 1 1 A 118 118 ALA CB C 118 18.627 18.991 -0.364 1
1 1450 . 11 1 1 A 118 118 ALA N N 118 121.702 121.548 0.154 1
1 1451 . 11 1 1 A 119 119 SER H H 119 8.073 8.975 -0.902 1
1 1452 . 11 1 1 A 119 119 SER HA H 119 4.027 4.485 -0.458 1
1 1455 . 11 1 1 A 119 119 SER C C 119 174.663 177.156 -2.493 1
1 1456 . 11 1 1 A 119 119 SER CA C 119 60.122 61.662 -1.540 1
1 1457 . 11 1 1 A 119 119 SER CB C 119 64.299 62.501 1.798 1
1 1458 . 11 1 1 A 119 119 SER N N 119 110.080 112.873 -2.793 1
1 1459 . 11 1 1 A 120 120 ARG H H 120 7.345 8.606 -1.261 1
1 1460 . 11 1 1 A 120 120 ARG HA H 120 4.383 4.096 0.287 1
1 1467 . 11 1 1 A 120 120 ARG C C 120 176.372 176.653 -0.281 1
1 1468 . 11 1 1 A 120 120 ARG CA C 120 56.681 58.913 -2.232 1
1 1469 . 11 1 1 A 120 120 ARG CB C 120 30.248 29.943 0.305 1
1 1472 . 11 1 1 A 120 120 ARG N N 120 120.244 122.004 -1.760 1
1 1473 . 11 1 1 A 121 121 THR H H 121 8.070 9.192 -1.122 1
1 1474 . 11 1 1 A 121 121 THR HA H 121 4.365 4.270 0.095 1
1 1479 . 11 1 1 A 121 121 THR C C 121 175.281 175.511 -0.230 1
1 1480 . 11 1 1 A 121 121 THR CA C 121 62.557 62.718 -0.161 1
1 1481 . 11 1 1 A 121 121 THR CB C 121 70.298 69.075 1.223 1
1 1483 . 11 1 1 A 121 121 THR N N 121 114.024 114.345 -0.321 1
1 1484 . 11 1 1 A 122 122 GLY H H 122 8.520 8.776 -0.256 1
1 1485 . 11 1 1 A 122 122 GLY HA2 H 122 4.005 3.823 0.182 1
1 1486 . 11 1 1 A 122 122 GLY HA3 H 122 4.005 3.824 0.181 1
1 1487 . 11 1 1 A 122 122 GLY C C 122 174.118 174.963 -0.845 1
1 1488 . 11 1 1 A 122 122 GLY CA C 122 45.351 47.327 -1.976 1
1 1489 . 11 1 1 A 122 122 GLY N N 122 111.123 110.608 0.515 1
1 1490 . 11 1 1 A 123 123 LYS H H 123 8.309 8.147 0.162 1
1 1491 . 11 1 1 A 123 123 LYS HA H 123 4.364 3.958 0.406 1
1 1500 . 11 1 1 A 123 123 LYS C C 123 176.772 176.293 0.479 1
1 1501 . 11 1 1 A 123 123 LYS CA C 123 56.310 57.047 -0.737 1
1 1502 . 11 1 1 A 123 123 LYS CB C 123 33.167 30.968 2.199 1
1 1506 . 11 1 1 A 123 123 LYS N N 123 121.100 120.394 0.706 1
1 1507 . 11 1 1 A 124 124 SER H H 124 8.453 8.181 0.272 1
1 1508 . 11 1 1 A 124 124 SER HA H 124 4.489 4.754 -0.265 1
1 1509 . 11 1 1 A 124 124 SER C C 124 174.518 173.534 0.984 1
1 1510 . 11 1 1 A 124 124 SER CA C 124 58.357 57.017 1.340 1
1 1511 . 11 1 1 A 124 124 SER CB C 124 64.052 63.013 1.039 1
1 1512 . 11 1 1 A 124 124 SER N N 124 117.316 119.322 -2.006 1
1 1513 . 11 1 1 A 125 125 GLY H H 125 8.278 8.623 -0.345 1
1 1514 . 11 1 1 A 125 125 GLY HA2 H 125 4.154 4.134 0.020 1
1 1515 . 11 1 1 A 125 125 GLY HA3 H 125 4.102 4.135 -0.033 1
1 1516 . 11 1 1 A 125 125 GLY C C 125 171.827 173.269 -1.442 1
1 1517 . 11 1 1 A 125 125 GLY CA C 125 44.680 44.113 0.567 1
1 1518 . 11 1 1 A 125 125 GLY N N 125 110.670 114.323 -3.653 1
1 1519 . 11 1 1 A 126 126 PRO HA H 126 4.461 4.786 -0.325 1
1 1526 . 11 1 1 A 126 126 PRO C C 126 177.426 175.833 1.593 1
1 1527 . 11 1 1 A 126 126 PRO CA C 126 63.281 62.372 0.909 1
1 1528 . 11 1 1 A 126 126 PRO CB C 126 32.263 29.589 2.674 1
1 1531 . 11 1 1 A 127 127 SER H H 127 8.556 8.117 0.439 1
1 1532 . 11 1 1 A 127 127 SER HA H 127 4.489 4.792 -0.303 1
1 1535 . 11 1 1 A 127 127 SER C C 127 174.651 172.139 2.512 1
1 1536 . 11 1 1 A 127 127 SER CA C 127 58.410 57.650 0.760 1
1 1537 . 11 1 1 A 127 127 SER CB C 127 63.682 65.940 -2.258 1
1 1538 . 11 1 1 A 127 127 SER N N 127 116.423 118.977 -2.554 1
1 1539 . 11 1 1 A 128 128 SER H H 128 8.313 8.361 -0.048 1
1 1540 . 11 1 1 A 128 128 SER HA H 128 4.489 4.763 -0.274 1
1 1543 . 11 1 1 A 128 128 SER C C 128 173.936 174.396 -0.460 1
1 1544 . 11 1 1 A 128 128 SER CA C 128 58.393 57.213 1.180 1
1 1545 . 11 1 1 A 128 128 SER CB C 128 64.052 63.344 0.708 1
1 1546 . 11 1 1 A 128 128 SER N N 128 117.750 119.999 -2.249 1
1 1 . 12 1 1 A 6 6 SER HA H 6 4.475 4.249 0.226 1
1 4 . 12 1 1 A 6 6 SER C C 6 174.978 174.492 0.486 1
1 5 . 12 1 1 A 6 6 SER CA C 6 58.657 59.288 -0.631 1
1 6 . 12 1 1 A 6 6 SER CB C 6 63.682 62.084 1.598 1
1 7 . 12 1 1 A 7 7 GLY H H 7 8.385 8.399 -0.014 1
1 8 . 12 1 1 A 7 7 GLY HA2 H 7 3.947 4.159 -0.212 1
1 9 . 12 1 1 A 7 7 GLY HA3 H 7 3.947 4.162 -0.215 1
1 10 . 12 1 1 A 7 7 GLY C C 7 173.900 172.265 1.635 1
1 11 . 12 1 1 A 7 7 GLY CA C 7 45.280 45.979 -0.699 1
1 12 . 12 1 1 A 7 7 GLY N N 7 110.753 112.000 -1.247 1
1 13 . 12 1 1 A 8 8 VAL H H 8 7.896 8.301 -0.405 1
1 14 . 12 1 1 A 8 8 VAL HA H 8 4.046 4.843 -0.797 1
1 22 . 12 1 1 A 8 8 VAL C C 8 175.948 175.197 0.751 1
1 23 . 12 1 1 A 8 8 VAL CA C 8 62.399 60.170 2.229 1
1 24 . 12 1 1 A 8 8 VAL CB C 8 32.904 35.703 -2.799 1
1 27 . 12 1 1 A 8 8 VAL N N 8 119.771 120.558 -0.787 1
1 28 . 12 1 1 A 9 9 ILE H H 9 8.253 8.550 -0.297 1
1 29 . 12 1 1 A 9 9 ILE HA H 9 4.103 4.061 0.042 1
1 39 . 12 1 1 A 9 9 ILE C C 9 175.984 175.383 0.601 1
1 40 . 12 1 1 A 9 9 ILE CA C 9 60.657 62.212 -1.555 1
1 41 . 12 1 1 A 9 9 ILE CB C 9 38.349 38.093 0.256 1
1 45 . 12 1 1 A 9 9 ILE N N 9 125.791 125.729 0.062 1
1 46 . 12 1 1 A 10 10 LEU H H 10 8.374 8.582 -0.208 1
1 47 . 12 1 1 A 10 10 LEU HA H 10 4.379 4.933 -0.554 1
1 57 . 12 1 1 A 10 10 LEU C C 10 177.171 176.164 1.007 1
1 58 . 12 1 1 A 10 10 LEU CA C 10 54.598 53.435 1.163 1
1 59 . 12 1 1 A 10 10 LEU CB C 10 42.873 44.874 -2.001 1
1 63 . 12 1 1 A 10 10 LEU N N 10 127.929 127.321 0.608 1
1 64 . 12 1 1 A 11 11 LYS H H 11 8.414 8.545 -0.131 1
1 65 . 12 1 1 A 11 11 LYS HA H 11 4.214 4.437 -0.223 1
1 74 . 12 1 1 A 11 11 LYS C C 11 177.244 177.053 0.191 1
1 75 . 12 1 1 A 11 11 LYS CA C 11 57.051 56.234 0.817 1
1 76 . 12 1 1 A 11 11 LYS CB C 11 33.332 33.455 -0.123 1
1 80 . 12 1 1 A 11 11 LYS N N 11 123.211 127.038 -3.827 1
1 81 . 12 1 1 A 12 12 GLU H H 12 8.629 8.916 -0.287 1
1 82 . 12 1 1 A 12 12 GLU HA H 12 3.745 4.648 -0.903 1
1 87 . 12 1 1 A 12 12 GLU C C 12 177.366 178.743 -1.377 1
1 88 . 12 1 1 A 12 12 GLU CA C 12 59.663 57.331 2.332 1
1 89 . 12 1 1 A 12 12 GLU CB C 12 29.672 31.109 -1.437 1
1 91 . 12 1 1 A 12 12 GLU N N 12 122.998 121.178 1.820 1
1 92 . 12 1 1 A 13 13 GLU H H 13 8.043 8.533 -0.490 1
1 93 . 12 1 1 A 13 13 GLU HA H 13 3.333 4.279 -0.946 1
1 98 . 12 1 1 A 13 13 GLU C C 13 175.451 177.389 -1.938 1
1 99 . 12 1 1 A 13 13 GLU CA C 13 57.634 58.417 -0.783 1
1 100 . 12 1 1 A 13 13 GLU CB C 13 28.567 28.002 0.565 1
1 102 . 12 1 1 A 13 13 GLU N N 13 113.498 119.449 -5.951 1
1 103 . 12 1 1 A 14 14 PHE H H 14 7.483 7.881 -0.398 1
1 104 . 12 1 1 A 14 14 PHE HA H 14 4.650 4.500 0.150 1
1 112 . 12 1 1 A 14 14 PHE C C 14 175.657 177.150 -1.493 1
1 113 . 12 1 1 A 14 14 PHE CA C 14 56.187 59.522 -3.335 1
1 114 . 12 1 1 A 14 14 PHE CB C 14 39.665 40.670 -1.005 1
1 120 . 12 1 1 A 14 14 PHE N N 14 115.879 118.618 -2.739 1
1 121 . 12 1 1 A 15 15 ARG H H 15 7.757 8.059 -0.302 1
1 122 . 12 1 1 A 15 15 ARG HA H 15 4.154 4.021 0.133 1
1 129 . 12 1 1 A 15 15 ARG C C 15 177.353 178.010 -0.657 1
1 130 . 12 1 1 A 15 15 ARG CA C 15 58.092 59.084 -0.992 1
1 131 . 12 1 1 A 15 15 ARG CB C 15 31.193 29.874 1.319 1
1 134 . 12 1 1 A 15 15 ARG N N 15 118.945 120.258 -1.313 1
1 135 . 12 1 1 A 16 16 GLY H H 16 8.812 7.793 1.019 1
1 136 . 12 1 1 A 16 16 GLY HA2 H 16 4.194 4.079 0.115 1
1 137 . 12 1 1 A 16 16 GLY HA3 H 16 3.824 4.081 -0.257 1
1 138 . 12 1 1 A 16 16 GLY C C 16 173.427 172.752 0.675 1
1 139 . 12 1 1 A 16 16 GLY CA C 16 45.157 44.398 0.759 1
1 140 . 12 1 1 A 16 16 GLY N N 16 109.133 108.362 0.771 1
1 141 . 12 1 1 A 17 17 VAL H H 17 8.308 8.353 -0.045 1
1 142 . 12 1 1 A 17 17 VAL HA H 17 4.060 4.781 -0.721 1
1 150 . 12 1 1 A 17 17 VAL C C 17 176.469 174.186 2.283 1
1 151 . 12 1 1 A 17 17 VAL CA C 17 62.098 59.278 2.820 1
1 152 . 12 1 1 A 17 17 VAL CB C 17 33.414 35.728 -2.314 1
1 155 . 12 1 1 A 17 17 VAL N N 17 120.815 118.834 1.981 1
1 156 . 12 1 1 A 18 18 ILE H H 18 8.547 8.893 -0.346 1
1 157 . 12 1 1 A 18 18 ILE HA H 18 4.186 4.963 -0.777 1
1 167 . 12 1 1 A 18 18 ILE C C 18 177.208 176.543 0.665 1
1 168 . 12 1 1 A 18 18 ILE CA C 18 63.175 59.741 3.434 1
1 169 . 12 1 1 A 18 18 ILE CB C 18 38.596 40.539 -1.943 1
1 173 . 12 1 1 A 18 18 ILE N N 18 125.006 123.344 1.662 1
1 174 . 12 1 1 A 19 19 ILE H H 19 9.127 8.803 0.324 1
1 175 . 12 1 1 A 19 19 ILE HA H 19 4.461 4.471 -0.010 1
1 185 . 12 1 1 A 19 19 ILE C C 19 176.081 175.945 0.136 1
1 186 . 12 1 1 A 19 19 ILE CA C 19 60.298 61.284 -0.986 1
1 187 . 12 1 1 A 19 19 ILE CB C 19 39.665 39.667 -0.002 1
1 191 . 12 1 1 A 19 19 ILE N N 19 124.358 120.449 3.909 1
1 192 . 12 1 1 A 20 20 LYS H H 20 7.620 7.631 -0.011 1
1 193 . 12 1 1 A 20 20 LYS HA H 20 4.325 4.617 -0.292 1
1 202 . 12 1 1 A 20 20 LYS C C 20 172.760 174.352 -1.592 1
1 203 . 12 1 1 A 20 20 LYS CA C 20 57.298 55.800 1.498 1
1 204 . 12 1 1 A 20 20 LYS CB C 20 36.458 35.790 0.668 1
1 208 . 12 1 1 A 20 20 LYS N N 20 121.749 121.658 0.091 1
1 209 . 12 1 1 A 21 21 GLN H H 21 8.572 8.784 -0.212 1
1 210 . 12 1 1 A 21 21 GLN HA H 21 5.927 5.763 0.164 1
1 217 . 12 1 1 A 21 21 GLN C C 21 175.124 174.423 0.701 1
1 218 . 12 1 1 A 21 21 GLN CA C 21 54.227 54.358 -0.131 1
1 219 . 12 1 1 A 21 21 GLN CB C 21 33.369 33.060 0.309 1
1 221 . 12 1 1 A 21 21 GLN N N 21 121.653 123.817 -2.164 1
1 223 . 12 1 1 A 22 22 GLY H H 22 9.178 8.778 0.400 1
1 224 . 12 1 1 A 22 22 GLY HA2 H 22 4.904 4.366 0.538 1
1 225 . 12 1 1 A 22 22 GLY HA3 H 22 4.447 4.407 0.040 1
1 226 . 12 1 1 A 22 22 GLY C C 22 172.300 171.955 0.345 1
1 227 . 12 1 1 A 22 22 GLY CA C 22 45.650 46.145 -0.495 1
1 228 . 12 1 1 A 22 22 GLY N N 22 108.544 106.406 2.138 1
1 229 . 12 1 1 A 23 23 CYS H H 23 9.262 8.522 0.740 1
1 230 . 12 1 1 A 23 23 CYS HA H 23 5.904 5.691 0.213 1
1 233 . 12 1 1 A 23 23 CYS C C 23 175.293 173.880 1.413 1
1 234 . 12 1 1 A 23 23 CYS CA C 23 59.222 57.921 1.301 1
1 235 . 12 1 1 A 23 23 CYS CB C 23 29.260 29.854 -0.594 1
1 236 . 12 1 1 A 23 23 CYS N N 23 118.575 121.029 -2.454 1
1 237 . 12 1 1 A 24 24 LEU H H 24 9.131 10.213 -1.082 1
1 238 . 12 1 1 A 24 24 LEU HA H 24 4.627 5.030 -0.403 1
1 248 . 12 1 1 A 24 24 LEU C C 24 175.354 175.464 -0.110 1
1 249 . 12 1 1 A 24 24 LEU CA C 24 53.963 53.786 0.177 1
1 250 . 12 1 1 A 24 24 LEU CB C 24 47.315 46.121 1.194 1
1 254 . 12 1 1 A 24 24 LEU N N 24 122.880 123.697 -0.817 1
1 255 . 12 1 1 A 25 25 LEU H H 25 7.968 8.999 -1.031 1
1 256 . 12 1 1 A 25 25 LEU HA H 25 5.056 5.100 -0.044 1
1 266 . 12 1 1 A 25 25 LEU C C 25 175.766 175.103 0.663 1
1 267 . 12 1 1 A 25 25 LEU CA C 25 54.810 54.321 0.489 1
1 268 . 12 1 1 A 25 25 LEU CB C 25 44.065 42.176 1.889 1
1 272 . 12 1 1 A 25 25 LEU N N 25 119.755 122.631 -2.876 1
1 273 . 12 1 1 A 26 26 LYS H H 26 9.307 8.605 0.702 1
1 274 . 12 1 1 A 26 26 LYS HA H 26 5.166 5.141 0.025 1
1 283 . 12 1 1 A 26 26 LYS C C 26 175.778 176.187 -0.409 1
1 284 . 12 1 1 A 26 26 LYS CA C 26 54.687 55.313 -0.626 1
1 285 . 12 1 1 A 26 26 LYS CB C 26 37.033 34.150 2.883 1
1 289 . 12 1 1 A 26 26 LYS N N 26 122.635 126.362 -3.727 1
1 290 . 12 1 1 A 27 27 GLN H H 27 8.228 8.274 -0.046 1
1 291 . 12 1 1 A 27 27 GLN HA H 27 3.839 4.616 -0.777 1
1 298 . 12 1 1 A 27 27 GLN C C 27 176.869 175.537 1.332 1
1 299 . 12 1 1 A 27 27 GLN CA C 27 55.922 54.636 1.286 1
1 300 . 12 1 1 A 27 27 GLN CB C 27 29.589 30.602 -1.013 1
1 302 . 12 1 1 A 27 27 GLN N N 27 132.145 126.360 5.785 1
1 304 . 12 1 1 A 28 28 GLY H H 28 8.434 8.219 0.215 1
1 305 . 12 1 1 A 28 28 GLY HA2 H 28 4.144 4.048 0.096 1
1 306 . 12 1 1 A 28 28 GLY HA3 H 28 3.999 4.052 -0.053 1
1 307 . 12 1 1 A 28 28 GLY CA C 28 45.457 45.932 -0.475 1
1 308 . 12 1 1 A 28 28 GLY N N 28 114.691 108.574 6.117 1
1 309 . 12 1 1 A 29 29 HIS HA H 29 4.352 4.489 -0.137 1
1 314 . 12 1 1 A 29 29 HIS CA C 29 58.505 55.946 2.559 1
1 315 . 12 1 1 A 29 29 HIS CB C 29 30.967 30.589 0.378 1
1 318 . 12 1 1 A 30 30 ARG HA H 30 4.114 4.177 -0.063 1
1 325 . 12 1 1 A 30 30 ARG CA C 30 56.429 57.879 -1.450 1
1 326 . 12 1 1 A 30 30 ARG CB C 30 29.591 30.860 -1.269 1
1 329 . 12 1 1 A 31 31 ARG HA H 31 3.774 4.444 -0.670 1
1 336 . 12 1 1 A 31 31 ARG C C 31 175.536 174.143 1.393 1
1 337 . 12 1 1 A 31 31 ARG CA C 31 55.922 55.625 0.297 1
1 338 . 12 1 1 A 31 31 ARG CB C 31 29.302 30.401 -1.099 1
1 341 . 12 1 1 A 32 32 LYS H H 32 8.011 8.299 -0.288 1
1 342 . 12 1 1 A 32 32 LYS HA H 32 4.164 4.766 -0.602 1
1 351 . 12 1 1 A 32 32 LYS C C 32 175.741 176.176 -0.435 1
1 352 . 12 1 1 A 32 32 LYS CA C 32 56.239 54.439 1.800 1
1 353 . 12 1 1 A 32 32 LYS CB C 32 32.016 36.337 -4.321 1
1 357 . 12 1 1 A 32 32 LYS N N 32 117.463 123.726 -6.263 1
1 358 . 12 1 1 A 33 33 ASN H H 33 7.870 8.646 -0.776 1
1 359 . 12 1 1 A 33 33 ASN HA H 33 4.807 4.821 -0.014 1
1 364 . 12 1 1 A 33 33 ASN C C 33 173.681 175.833 -2.152 1
1 365 . 12 1 1 A 33 33 ASN CA C 33 52.551 54.106 -1.555 1
1 366 . 12 1 1 A 33 33 ASN CB C 33 39.830 39.182 0.648 1
1 367 . 12 1 1 A 33 33 ASN N N 33 117.522 118.826 -1.304 1
1 369 . 12 1 1 A 34 34 TRP H H 34 8.704 9.011 -0.307 1
1 370 . 12 1 1 A 34 34 TRP HA H 34 4.807 5.015 -0.208 1
1 379 . 12 1 1 A 34 34 TRP C C 34 176.129 176.288 -0.159 1
1 380 . 12 1 1 A 34 34 TRP CA C 34 56.540 57.431 -0.891 1
1 381 . 12 1 1 A 34 34 TRP CB C 34 31.399 30.846 0.553 1
1 387 . 12 1 1 A 34 34 TRP N N 34 121.620 122.252 -0.632 1
1 389 . 12 1 1 A 35 35 LYS H H 35 8.457 9.029 -0.572 1
1 390 . 12 1 1 A 35 35 LYS HA H 35 4.876 4.986 -0.110 1
1 399 . 12 1 1 A 35 35 LYS C C 35 176.081 175.868 0.213 1
1 400 . 12 1 1 A 35 35 LYS CA C 35 54.298 55.066 -0.768 1
1 401 . 12 1 1 A 35 35 LYS CB C 35 36.498 35.514 0.984 1
1 405 . 12 1 1 A 35 35 LYS N N 35 120.816 119.696 1.120 1
1 406 . 12 1 1 A 36 36 VAL H H 36 8.974 8.896 0.078 1
1 407 . 12 1 1 A 36 36 VAL HA H 36 4.254 4.361 -0.107 1
1 415 . 12 1 1 A 36 36 VAL C C 36 176.808 175.499 1.309 1
1 416 . 12 1 1 A 36 36 VAL CA C 36 63.828 63.509 0.319 1
1 417 . 12 1 1 A 36 36 VAL CB C 36 31.687 32.226 -0.539 1
1 420 . 12 1 1 A 36 36 VAL N N 36 123.825 125.015 -1.190 1
1 421 . 12 1 1 A 37 37 ARG H H 37 9.327 9.286 0.041 1
1 422 . 12 1 1 A 37 37 ARG HA H 37 4.930 4.916 0.014 1
1 427 . 12 1 1 A 37 37 ARG C C 37 173.815 174.609 -0.794 1
1 428 . 12 1 1 A 37 37 ARG CA C 37 54.351 54.954 -0.603 1
1 429 . 12 1 1 A 37 37 ARG CB C 37 34.709 34.484 0.225 1
1 432 . 12 1 1 A 37 37 ARG N N 37 128.926 125.437 3.489 1
1 433 . 12 1 1 A 38 38 LYS H H 38 8.714 8.640 0.074 1
1 434 . 12 1 1 A 38 38 LYS HA H 38 4.959 5.245 -0.286 1
1 443 . 12 1 1 A 38 38 LYS C C 38 175.075 175.375 -0.300 1
1 444 . 12 1 1 A 38 38 LYS CA C 38 55.869 56.377 -0.508 1
1 445 . 12 1 1 A 38 38 LYS CB C 38 34.072 33.561 0.511 1
1 449 . 12 1 1 A 38 38 LYS N N 38 121.669 123.435 -1.766 1
1 450 . 12 1 1 A 39 39 PHE H H 39 9.751 10.229 -0.478 1
1 451 . 12 1 1 A 39 39 PHE HA H 39 5.591 5.252 0.339 1
1 459 . 12 1 1 A 39 39 PHE C C 39 175.414 174.816 0.598 1
1 460 . 12 1 1 A 39 39 PHE CA C 39 57.474 56.933 0.541 1
1 461 . 12 1 1 A 39 39 PHE CB C 39 42.667 41.734 0.933 1
1 467 . 12 1 1 A 39 39 PHE N N 39 127.216 125.049 2.167 1
1 468 . 12 1 1 A 40 40 ILE H H 40 9.246 10.490 -1.244 1
1 469 . 12 1 1 A 40 40 ILE HA H 40 4.864 5.182 -0.318 1
1 479 . 12 1 1 A 40 40 ILE C C 40 174.724 174.201 0.523 1
1 480 . 12 1 1 A 40 40 ILE CA C 40 62.134 60.084 2.050 1
1 481 . 12 1 1 A 40 40 ILE CB C 40 41.022 39.829 1.193 1
1 485 . 12 1 1 A 40 40 ILE N N 40 119.337 123.808 -4.471 1
1 486 . 12 1 1 A 41 41 LEU H H 41 9.549 9.144 0.405 1
1 487 . 12 1 1 A 41 41 LEU HA H 41 5.485 5.302 0.183 1
1 497 . 12 1 1 A 41 41 LEU C C 41 174.457 175.328 -0.871 1
1 498 . 12 1 1 A 41 41 LEU CA C 41 54.004 53.765 0.239 1
1 499 . 12 1 1 A 41 41 LEU CB C 41 45.299 45.473 -0.174 1
1 503 . 12 1 1 A 41 41 LEU N N 41 132.451 130.884 1.567 1
1 504 . 12 1 1 A 42 42 ARG H H 42 9.383 9.040 0.343 1
1 505 . 12 1 1 A 42 42 ARG HA H 42 5.492 5.193 0.299 1
1 513 . 12 1 1 A 42 42 ARG C C 42 174.893 175.217 -0.324 1
1 514 . 12 1 1 A 42 42 ARG CA C 42 54.421 54.607 -0.186 1
1 515 . 12 1 1 A 42 42 ARG CB C 42 35.470 33.565 1.905 1
1 518 . 12 1 1 A 42 42 ARG N N 42 128.467 125.001 3.466 1
1 520 . 12 1 1 A 43 43 GLU H H 43 8.259 8.597 -0.338 1
1 521 . 12 1 1 A 43 43 GLU HA H 43 4.366 4.727 -0.361 1
1 526 . 12 1 1 A 43 43 GLU C C 43 174.893 175.875 -0.982 1
1 527 . 12 1 1 A 43 43 GLU CA C 43 54.898 55.560 -0.662 1
1 528 . 12 1 1 A 43 43 GLU CB C 43 33.102 31.013 2.089 1
1 530 . 12 1 1 A 43 43 GLU N N 43 115.434 120.227 -4.793 1
1 531 . 12 1 1 A 44 44 ASP H H 44 7.870 8.985 -1.115 1
1 532 . 12 1 1 A 44 44 ASP HA H 44 4.433 4.208 0.225 1
1 535 . 12 1 1 A 44 44 ASP C C 44 172.991 174.219 -1.228 1
1 536 . 12 1 1 A 44 44 ASP CA C 44 53.892 54.895 -1.003 1
1 537 . 12 1 1 A 44 44 ASP CB C 44 41.146 39.575 1.571 1
1 538 . 12 1 1 A 44 44 ASP N N 44 114.444 120.291 -5.847 1
1 539 . 12 1 1 A 45 45 PRO HA H 45 4.710 4.495 0.215 1
1 546 . 12 1 1 A 45 45 PRO C C 45 176.747 175.349 1.398 1
1 547 . 12 1 1 A 45 45 PRO CA C 45 63.246 62.518 0.728 1
1 548 . 12 1 1 A 45 45 PRO CB C 45 34.977 32.569 2.408 1
1 551 . 12 1 1 A 46 46 ALA H H 46 8.356 8.060 0.296 1
1 552 . 12 1 1 A 46 46 ALA HA H 46 5.049 4.802 0.247 1
1 556 . 12 1 1 A 46 46 ALA C C 46 175.499 175.836 -0.337 1
1 557 . 12 1 1 A 46 46 ALA CA C 46 51.545 50.750 0.795 1
1 558 . 12 1 1 A 46 46 ALA CB C 46 19.655 19.519 0.136 1
1 559 . 12 1 1 A 46 46 ALA N N 46 122.969 123.371 -0.402 1
1 560 . 12 1 1 A 47 47 TYR H H 47 8.047 9.001 -0.954 1
1 561 . 12 1 1 A 47 47 TYR HA H 47 5.097 4.851 0.246 1
1 568 . 12 1 1 A 47 47 TYR C C 47 173.730 174.203 -0.473 1
1 569 . 12 1 1 A 47 47 TYR CA C 47 57.563 56.246 1.317 1
1 570 . 12 1 1 A 47 47 TYR CB C 47 45.711 42.612 3.099 1
1 575 . 12 1 1 A 47 47 TYR N N 47 126.550 120.989 5.561 1
1 576 . 12 1 1 A 48 48 LEU H H 48 8.776 8.446 0.330 1
1 577 . 12 1 1 A 48 48 LEU HA H 48 5.578 5.296 0.282 1
1 587 . 12 1 1 A 48 48 LEU C C 48 175.039 174.307 0.732 1
1 588 . 12 1 1 A 48 48 LEU CA C 48 53.134 53.423 -0.289 1
1 589 . 12 1 1 A 48 48 LEU CB C 48 46.369 44.766 1.603 1
1 593 . 12 1 1 A 48 48 LEU N N 48 120.864 124.070 -3.206 1
1 594 . 12 1 1 A 49 49 HIS H H 49 8.974 9.336 -0.362 1
1 595 . 12 1 1 A 49 49 HIS HA H 49 5.181 4.969 0.212 1
1 600 . 12 1 1 A 49 49 HIS C C 49 174.712 174.141 0.571 1
1 601 . 12 1 1 A 49 49 HIS CA C 49 57.916 53.803 4.113 1
1 602 . 12 1 1 A 49 49 HIS CB C 49 35.347 32.113 3.234 1
1 605 . 12 1 1 A 49 49 HIS N N 49 124.417 126.379 -1.962 1
1 606 . 12 1 1 A 50 50 TYR H H 50 7.348 8.122 -0.774 1
1 607 . 12 1 1 A 50 50 TYR HA H 50 5.909 5.904 0.005 1
1 614 . 12 1 1 A 50 50 TYR C C 50 174.239 173.738 0.501 1
1 615 . 12 1 1 A 50 50 TYR CA C 50 53.610 54.938 -1.328 1
1 616 . 12 1 1 A 50 50 TYR CB C 50 40.077 40.653 -0.576 1
1 621 . 12 1 1 A 50 50 TYR N N 50 114.323 120.554 -6.231 1
1 622 . 12 1 1 A 51 51 TYR H H 51 9.230 9.043 0.187 1
1 623 . 12 1 1 A 51 51 TYR HA H 51 4.555 5.001 -0.446 1
1 630 . 12 1 1 A 51 51 TYR C C 51 175.572 175.030 0.542 1
1 631 . 12 1 1 A 51 51 TYR CA C 51 57.175 56.719 0.456 1
1 632 . 12 1 1 A 51 51 TYR CB C 51 42.709 41.556 1.153 1
1 637 . 12 1 1 A 51 51 TYR N N 51 117.695 121.669 -3.974 1
1 638 . 12 1 1 A 52 52 ASP H H 52 9.390 8.620 0.770 1
1 639 . 12 1 1 A 52 52 ASP HA H 52 4.937 4.858 0.079 1
1 642 . 12 1 1 A 52 52 ASP CA C 52 52.057 52.192 -0.135 1
1 643 . 12 1 1 A 52 52 ASP CB C 52 42.197 41.554 0.643 1
1 644 . 12 1 1 A 52 52 ASP N N 52 123.964 123.182 0.782 1
1 645 . 12 1 1 A 53 53 PRO HA H 53 4.274 4.401 -0.127 1
1 652 . 12 1 1 A 53 53 PRO C C 53 176.360 178.504 -2.144 1
1 653 . 12 1 1 A 53 53 PRO CA C 53 64.728 65.870 -1.142 1
1 654 . 12 1 1 A 53 53 PRO CB C 53 32.016 31.871 0.145 1
1 657 . 12 1 1 A 54 54 ALA H H 54 8.384 8.397 -0.013 1
1 658 . 12 1 1 A 54 54 ALA HA H 54 4.492 4.103 0.389 1
1 662 . 12 1 1 A 54 54 ALA C C 54 177.620 177.508 0.112 1
1 663 . 12 1 1 A 54 54 ALA CA C 54 52.022 54.156 -2.134 1
1 664 . 12 1 1 A 54 54 ALA CB C 54 19.202 19.232 -0.030 1
1 665 . 12 1 1 A 54 54 ALA N N 54 120.140 119.354 0.786 1
1 666 . 12 1 1 A 55 55 GLY H H 55 7.710 7.674 0.036 1
1 667 . 12 1 1 A 55 55 GLY HA2 H 55 4.194 4.030 0.164 1
1 668 . 12 1 1 A 55 55 GLY HA3 H 55 3.833 4.036 -0.203 1
1 669 . 12 1 1 A 55 55 GLY C C 55 173.524 171.287 2.237 1
1 670 . 12 1 1 A 55 55 GLY CA C 55 45.421 44.807 0.614 1
1 671 . 12 1 1 A 55 55 GLY N N 55 107.828 103.323 4.505 1
1 672 . 12 1 1 A 56 56 ALA H H 56 8.339 8.349 -0.010 1
1 673 . 12 1 1 A 56 56 ALA HA H 56 4.378 4.814 -0.436 1
1 677 . 12 1 1 A 56 56 ALA C C 56 177.741 176.413 1.328 1
1 678 . 12 1 1 A 56 56 ALA CA C 56 52.410 51.519 0.891 1
1 679 . 12 1 1 A 56 56 ALA CB C 56 19.843 22.652 -2.809 1
1 680 . 12 1 1 A 56 56 ALA N N 56 125.269 121.090 4.179 1
1 681 . 12 1 1 A 57 57 GLU H H 57 8.567 9.037 -0.470 1
1 682 . 12 1 1 A 57 57 GLU HA H 57 4.160 4.510 -0.350 1
1 687 . 12 1 1 A 57 57 GLU C C 57 176.335 175.904 0.431 1
1 688 . 12 1 1 A 57 57 GLU CA C 57 57.616 57.885 -0.269 1
1 689 . 12 1 1 A 57 57 GLU CB C 57 30.083 31.957 -1.874 1
1 691 . 12 1 1 A 57 57 GLU N N 57 119.341 119.305 0.036 1
1 692 . 12 1 1 A 58 58 ASP H H 58 7.718 7.990 -0.272 1
1 693 . 12 1 1 A 58 58 ASP HA H 58 5.010 4.888 0.122 1
1 696 . 12 1 1 A 58 58 ASP C C 58 173.209 174.517 -1.308 1
1 697 . 12 1 1 A 58 58 ASP CA C 58 52.128 52.672 -0.544 1
1 698 . 12 1 1 A 58 58 ASP CB C 58 40.981 40.021 0.960 1
1 699 . 12 1 1 A 58 58 ASP N N 58 118.499 119.686 -1.187 1
1 700 . 12 1 1 A 59 59 PRO HA H 59 3.493 4.142 -0.649 1
1 707 . 12 1 1 A 59 59 PRO C C 59 177.111 177.430 -0.319 1
1 708 . 12 1 1 A 59 59 PRO CA C 59 63.069 62.185 0.884 1
1 709 . 12 1 1 A 59 59 PRO CB C 59 31.229 32.114 -0.885 1
1 712 . 12 1 1 A 60 60 LEU H H 60 8.770 8.109 0.661 1
1 713 . 12 1 1 A 60 60 LEU HA H 60 4.114 3.959 0.155 1
1 723 . 12 1 1 A 60 60 LEU C C 60 177.268 176.642 0.626 1
1 724 . 12 1 1 A 60 60 LEU CA C 60 55.181 57.323 -2.142 1
1 725 . 12 1 1 A 60 60 LEU CB C 60 42.750 42.074 0.676 1
1 729 . 12 1 1 A 60 60 LEU N N 60 121.907 120.922 0.985 1
1 730 . 12 1 1 A 61 61 GLY H H 61 6.472 6.780 -0.308 1
1 731 . 12 1 1 A 61 61 GLY HA2 H 61 3.798 3.897 -0.099 1
1 732 . 12 1 1 A 61 61 GLY HA3 H 61 3.382 3.919 -0.537 1
1 733 . 12 1 1 A 61 61 GLY C C 61 169.367 171.096 -1.729 1
1 734 . 12 1 1 A 61 61 GLY CA C 61 45.033 45.704 -0.671 1
1 735 . 12 1 1 A 61 61 GLY N N 61 103.740 103.119 0.621 1
1 736 . 12 1 1 A 62 62 ALA H H 62 8.024 8.309 -0.285 1
1 737 . 12 1 1 A 62 62 ALA HA H 62 4.644 4.842 -0.198 1
1 741 . 12 1 1 A 62 62 ALA C C 62 176.226 175.755 0.471 1
1 742 . 12 1 1 A 62 62 ALA CA C 62 50.839 51.093 -0.254 1
1 743 . 12 1 1 A 62 62 ALA CB C 62 23.914 22.569 1.345 1
1 744 . 12 1 1 A 62 62 ALA N N 62 120.249 121.910 -1.661 1
1 745 . 12 1 1 A 63 63 ILE H H 63 8.810 8.513 0.297 1
1 746 . 12 1 1 A 63 63 ILE HA H 63 4.119 4.608 -0.489 1
1 756 . 12 1 1 A 63 63 ILE C C 63 174.724 175.365 -0.641 1
1 757 . 12 1 1 A 63 63 ILE CA C 63 60.757 60.064 0.693 1
1 758 . 12 1 1 A 63 63 ILE CB C 63 40.319 39.249 1.070 1
1 762 . 12 1 1 A 63 63 ILE N N 63 122.110 121.223 0.887 1
1 763 . 12 1 1 A 64 64 HIS H H 64 9.073 8.992 0.081 1
1 764 . 12 1 1 A 64 64 HIS HA H 64 3.948 4.740 -0.792 1
1 769 . 12 1 1 A 64 64 HIS C C 64 176.529 175.141 1.388 1
1 770 . 12 1 1 A 64 64 HIS CA C 64 54.951 57.189 -2.238 1
1 771 . 12 1 1 A 64 64 HIS CB C 64 30.494 30.776 -0.282 1
1 774 . 12 1 1 A 64 64 HIS N N 64 129.092 128.085 1.007 1
1 775 . 12 1 1 A 65 65 LEU H H 65 7.770 7.650 0.120 1
1 776 . 12 1 1 A 65 65 LEU HA H 65 4.074 4.493 -0.419 1
1 786 . 12 1 1 A 65 65 LEU C C 65 176.808 177.155 -0.347 1
1 787 . 12 1 1 A 65 65 LEU CA C 65 54.951 54.216 0.735 1
1 788 . 12 1 1 A 65 65 LEU CB C 65 42.667 42.824 -0.157 1
1 792 . 12 1 1 A 65 65 LEU N N 65 124.760 128.024 -3.264 1
1 793 . 12 1 1 A 66 66 ARG H H 66 6.515 7.036 -0.521 1
1 794 . 12 1 1 A 66 66 ARG HA H 66 4.085 3.775 0.310 1
1 801 . 12 1 1 A 66 66 ARG C C 66 178.638 177.772 0.866 1
1 802 . 12 1 1 A 66 66 ARG CA C 66 58.092 59.233 -1.141 1
1 803 . 12 1 1 A 66 66 ARG CB C 66 29.525 30.000 -0.475 1
1 806 . 12 1 1 A 66 66 ARG N N 66 120.462 120.538 -0.076 1
1 807 . 12 1 1 A 67 67 GLY H H 67 9.300 8.655 0.645 1
1 808 . 12 1 1 A 67 67 GLY HA2 H 67 4.045 4.048 -0.003 1
1 809 . 12 1 1 A 67 67 GLY HA3 H 67 3.826 4.096 -0.270 1
1 810 . 12 1 1 A 67 67 GLY C C 67 173.996 174.111 -0.115 1
1 811 . 12 1 1 A 67 67 GLY CA C 67 46.162 45.749 0.413 1
1 812 . 12 1 1 A 67 67 GLY N N 67 118.040 106.662 11.378 1
1 813 . 12 1 1 A 68 68 CYS H H 68 7.789 7.684 0.105 1
1 814 . 12 1 1 A 68 68 CYS HA H 68 4.779 4.559 0.220 1
1 817 . 12 1 1 A 68 68 CYS C C 68 173.148 173.644 -0.496 1
1 818 . 12 1 1 A 68 68 CYS CA C 68 57.545 58.613 -1.068 1
1 819 . 12 1 1 A 68 68 CYS CB C 68 28.644 29.133 -0.489 1
1 820 . 12 1 1 A 68 68 CYS N N 68 116.032 117.895 -1.863 1
1 821 . 12 1 1 A 69 69 VAL H H 69 8.665 9.617 -0.952 1
1 822 . 12 1 1 A 69 69 VAL HA H 69 4.364 4.837 -0.473 1
1 830 . 12 1 1 A 69 69 VAL C C 69 174.154 174.692 -0.538 1
1 831 . 12 1 1 A 69 69 VAL CA C 69 61.464 60.660 0.804 1
1 832 . 12 1 1 A 69 69 VAL CB C 69 35.041 35.891 -0.850 1
1 835 . 12 1 1 A 69 69 VAL N N 69 120.327 120.185 0.142 1
1 836 . 12 1 1 A 70 70 VAL H H 70 8.656 8.685 -0.029 1
1 837 . 12 1 1 A 70 70 VAL HA H 70 5.543 5.071 0.472 1
1 845 . 12 1 1 A 70 70 VAL C C 70 174.105 175.234 -1.129 1
1 846 . 12 1 1 A 70 70 VAL CA C 70 59.028 61.131 -2.103 1
1 847 . 12 1 1 A 70 70 VAL CB C 70 34.237 33.967 0.270 1
1 850 . 12 1 1 A 70 70 VAL N N 70 124.719 125.803 -1.084 1
1 851 . 12 1 1 A 71 71 THR H H 71 8.883 8.673 0.210 1
1 852 . 12 1 1 A 71 71 THR HA H 71 4.724 4.770 -0.046 1
1 857 . 12 1 1 A 71 71 THR C C 71 173.087 172.114 0.973 1
1 858 . 12 1 1 A 71 71 THR CA C 71 59.875 60.852 -0.977 1
1 859 . 12 1 1 A 71 71 THR CB C 71 71.290 70.277 1.013 1
1 861 . 12 1 1 A 71 71 THR N N 71 120.107 120.190 -0.083 1
1 862 . 12 1 1 A 72 72 SER H H 72 8.706 8.789 -0.083 1
1 863 . 12 1 1 A 72 72 SER HA H 72 4.455 5.377 -0.922 1
1 866 . 12 1 1 A 72 72 SER C C 72 174.082 174.301 -0.219 1
1 867 . 12 1 1 A 72 72 SER CA C 72 59.204 57.342 1.862 1
1 868 . 12 1 1 A 72 72 SER CB C 72 63.476 66.119 -2.643 1
1 869 . 12 1 1 A 72 72 SER N N 72 120.128 119.548 0.580 1
1 870 . 12 1 1 A 73 73 VAL H H 73 7.825 8.939 -1.114 1
1 871 . 12 1 1 A 73 73 VAL HA H 73 4.302 4.607 -0.305 1
1 879 . 12 1 1 A 73 73 VAL C C 73 175.160 176.487 -1.327 1
1 880 . 12 1 1 A 73 73 VAL CA C 73 62.010 60.737 1.273 1
1 881 . 12 1 1 A 73 73 VAL CB C 73 33.579 34.273 -0.694 1
1 884 . 12 1 1 A 73 73 VAL N N 73 125.377 119.589 5.788 1
1 885 . 12 1 1 A 74 74 GLU H H 74 8.706 8.353 0.353 1
1 886 . 12 1 1 A 74 74 GLU HA H 74 4.544 4.490 0.054 1
1 891 . 12 1 1 A 74 74 GLU C C 74 176.420 176.958 -0.538 1
1 892 . 12 1 1 A 74 74 GLU CA C 74 55.622 56.857 -1.235 1
1 893 . 12 1 1 A 74 74 GLU CB C 74 30.741 31.398 -0.657 1
1 895 . 12 1 1 A 74 74 GLU N N 74 126.564 119.914 6.650 1
1 896 . 12 1 1 A 75 75 SER H H 75 8.639 8.201 0.438 1
1 897 . 12 1 1 A 75 75 SER HA H 75 4.447 4.219 0.228 1
1 900 . 12 1 1 A 75 75 SER C C 75 174.299 174.469 -0.170 1
1 901 . 12 1 1 A 75 75 SER CA C 75 58.339 58.953 -0.614 1
1 902 . 12 1 1 A 75 75 SER CB C 75 64.170 60.819 3.351 1
1 903 . 12 1 1 A 75 75 SER N N 75 117.961 115.540 2.421 1
1 904 . 12 1 1 A 76 76 ASN H H 76 8.672 7.930 0.742 1
1 905 . 12 1 1 A 76 76 ASN HA H 76 4.795 4.396 0.399 1
1 910 . 12 1 1 A 76 76 ASN C C 76 175.584 176.394 -0.810 1
1 911 . 12 1 1 A 76 76 ASN CA C 76 53.292 56.625 -3.333 1
1 912 . 12 1 1 A 76 76 ASN CB C 76 39.089 38.192 0.897 1
1 913 . 12 1 1 A 76 76 ASN N N 76 121.138 124.393 -3.255 1
1 915 . 12 1 1 A 78 78 ASN HA H 78 4.635 4.910 -0.275 1
1 920 . 12 1 1 A 78 78 ASN C C 78 175.681 174.714 0.967 1
1 921 . 12 1 1 A 78 78 ASN CA C 78 53.610 52.500 1.110 1
1 922 . 12 1 1 A 78 78 ASN CB C 78 38.496 40.942 -2.446 1
1 924 . 12 1 1 A 79 79 GLY H H 79 8.356 9.019 -0.663 1
1 925 . 12 1 1 A 79 79 GLY HA2 H 79 3.821 3.894 -0.073 1
1 926 . 12 1 1 A 79 79 GLY HA3 H 79 4.011 3.896 0.115 1
1 927 . 12 1 1 A 79 79 GLY C C 79 174.154 174.166 -0.012 1
1 928 . 12 1 1 A 79 79 GLY CA C 79 45.563 46.929 -1.366 1
1 929 . 12 1 1 A 79 79 GLY N N 79 108.284 113.019 -4.735 1
1 930 . 12 1 1 A 80 80 ARG H H 80 7.919 8.078 -0.159 1
1 931 . 12 1 1 A 80 80 ARG HA H 80 4.344 4.546 -0.202 1
1 938 . 12 1 1 A 80 80 ARG C C 80 176.117 175.862 0.255 1
1 939 . 12 1 1 A 80 80 ARG CA C 80 55.905 57.177 -1.272 1
1 940 . 12 1 1 A 80 80 ARG CB C 80 30.782 33.423 -2.641 1
1 943 . 12 1 1 A 80 80 ARG N N 80 120.470 117.676 2.794 1
1 944 . 12 1 1 A 81 81 LYS H H 81 8.427 7.856 0.571 1
1 945 . 12 1 1 A 81 81 LYS HA H 81 4.350 4.698 -0.348 1
1 954 . 12 1 1 A 81 81 LYS C C 81 176.808 174.999 1.809 1
1 955 . 12 1 1 A 81 81 LYS CA C 81 56.416 54.722 1.694 1
1 956 . 12 1 1 A 81 81 LYS CB C 81 32.797 35.287 -2.490 1
1 960 . 12 1 1 A 81 81 LYS N N 81 122.963 115.270 7.693 1
1 961 . 12 1 1 A 82 82 SER H H 82 8.440 8.902 -0.462 1
1 962 . 12 1 1 A 82 82 SER HA H 82 4.380 4.533 -0.153 1
1 965 . 12 1 1 A 82 82 SER C C 82 174.833 174.405 0.428 1
1 966 . 12 1 1 A 82 82 SER CA C 82 58.763 59.425 -0.662 1
1 967 . 12 1 1 A 82 82 SER CB C 82 63.723 63.355 0.368 1
1 968 . 12 1 1 A 82 82 SER N N 82 118.053 118.165 -0.112 1
1 969 . 12 1 1 A 83 83 GLU H H 83 8.648 8.924 -0.276 1
1 970 . 12 1 1 A 83 83 GLU HA H 83 4.233 4.508 -0.275 1
1 975 . 12 1 1 A 83 83 GLU C C 83 176.311 174.691 1.620 1
1 976 . 12 1 1 A 83 83 GLU CA C 83 57.104 58.150 -1.046 1
1 977 . 12 1 1 A 83 83 GLU CB C 83 29.795 32.204 -2.409 1
1 979 . 12 1 1 A 83 83 GLU N N 83 121.793 127.156 -5.363 1
1 980 . 12 1 1 A 84 84 GLU H H 84 8.088 7.720 0.368 1
1 981 . 12 1 1 A 84 84 GLU HA H 84 4.161 4.557 -0.396 1
1 986 . 12 1 1 A 84 84 GLU C C 84 175.523 175.422 0.101 1
1 987 . 12 1 1 A 84 84 GLU CA C 84 56.275 55.250 1.025 1
1 988 . 12 1 1 A 84 84 GLU CB C 84 30.165 33.118 -2.953 1
1 990 . 12 1 1 A 84 84 GLU N N 84 119.385 116.782 2.603 1
1 991 . 12 1 1 A 85 85 GLU H H 85 7.907 8.362 -0.455 1
1 992 . 12 1 1 A 85 85 GLU HA H 85 4.350 4.523 -0.173 1
1 997 . 12 1 1 A 85 85 GLU C C 85 175.002 175.958 -0.956 1
1 998 . 12 1 1 A 85 85 GLU CA C 85 55.569 55.607 -0.038 1
1 999 . 12 1 1 A 85 85 GLU CB C 85 32.098 31.000 1.098 1
1 1001 . 12 1 1 A 85 85 GLU N N 85 120.414 124.028 -3.614 1
1 1002 . 12 1 1 A 86 86 ASN H H 86 8.569 8.559 0.010 1
1 1003 . 12 1 1 A 86 86 ASN HA H 86 4.225 5.112 -0.887 1
1 1008 . 12 1 1 A 86 86 ASN C C 86 175.147 174.802 0.345 1
1 1009 . 12 1 1 A 86 86 ASN CA C 86 54.068 53.068 1.000 1
1 1010 . 12 1 1 A 86 86 ASN CB C 86 38.185 39.305 -1.120 1
1 1011 . 12 1 1 A 86 86 ASN N N 86 114.602 118.562 -3.960 1
1 1013 . 12 1 1 A 87 87 LEU H H 87 8.483 8.949 -0.466 1
1 1014 . 12 1 1 A 87 87 LEU HA H 87 5.186 5.358 -0.172 1
1 1024 . 12 1 1 A 87 87 LEU C C 87 178.480 175.322 3.158 1
1 1025 . 12 1 1 A 87 87 LEU CA C 87 55.128 53.027 2.101 1
1 1026 . 12 1 1 A 87 87 LEU CB C 87 44.559 46.221 -1.662 1
1 1030 . 12 1 1 A 87 87 LEU N N 87 121.334 123.610 -2.276 1
1 1031 . 12 1 1 A 88 88 PHE H H 88 9.512 8.055 1.457 1
1 1032 . 12 1 1 A 88 88 PHE HA H 88 5.156 5.073 0.083 1
1 1040 . 12 1 1 A 88 88 PHE C C 88 170.288 172.121 -1.833 1
1 1041 . 12 1 1 A 88 88 PHE CA C 88 56.787 56.369 0.418 1
1 1042 . 12 1 1 A 88 88 PHE CB C 88 41.763 41.266 0.497 1
1 1048 . 12 1 1 A 88 88 PHE N N 88 119.324 115.632 3.692 1
1 1049 . 12 1 1 A 89 89 GLU H H 89 9.028 8.634 0.394 1
1 1050 . 12 1 1 A 89 89 GLU HA H 89 5.293 5.356 -0.063 1
1 1055 . 12 1 1 A 89 89 GLU C C 89 175.245 175.286 -0.041 1
1 1056 . 12 1 1 A 89 89 GLU CA C 89 53.433 55.254 -1.821 1
1 1057 . 12 1 1 A 89 89 GLU CB C 89 34.566 31.859 2.707 1
1 1059 . 12 1 1 A 89 89 GLU N N 89 121.829 120.427 1.402 1
1 1060 . 12 1 1 A 90 90 ILE H H 90 8.655 8.406 0.249 1
1 1061 . 12 1 1 A 90 90 ILE HA H 90 4.793 4.726 0.067 1
1 1071 . 12 1 1 A 90 90 ILE C C 90 174.808 174.929 -0.121 1
1 1072 . 12 1 1 A 90 90 ILE CA C 90 59.857 60.476 -0.619 1
1 1073 . 12 1 1 A 90 90 ILE CB C 90 41.886 40.556 1.330 1
1 1077 . 12 1 1 A 90 90 ILE N N 90 123.446 126.085 -2.639 1
1 1078 . 12 1 1 A 91 91 ILE H H 91 9.199 8.831 0.368 1
1 1079 . 12 1 1 A 91 91 ILE HA H 91 4.724 4.795 -0.071 1
1 1089 . 12 1 1 A 91 91 ILE C C 91 177.898 175.987 1.911 1
1 1090 . 12 1 1 A 91 91 ILE CA C 91 60.211 60.707 -0.496 1
1 1091 . 12 1 1 A 91 91 ILE CB C 91 39.043 38.329 0.714 1
1 1095 . 12 1 1 A 91 91 ILE N N 91 126.827 129.015 -2.188 1
1 1096 . 12 1 1 A 92 92 THR H H 92 9.086 8.064 1.022 1
1 1097 . 12 1 1 A 92 92 THR HA H 92 4.314 4.891 -0.577 1
1 1102 . 12 1 1 A 92 92 THR C C 92 176.857 176.068 0.789 1
1 1103 . 12 1 1 A 92 92 THR CA C 92 61.693 59.743 1.950 1
1 1104 . 12 1 1 A 92 92 THR CB C 92 70.920 72.476 -1.556 1
1 1106 . 12 1 1 A 92 92 THR N N 92 117.131 116.607 0.524 1
1 1107 . 12 1 1 A 93 93 ALA H H 93 9.192 9.035 0.157 1
1 1108 . 12 1 1 A 93 93 ALA HA H 93 4.101 3.977 0.124 1
1 1112 . 12 1 1 A 93 93 ALA C C 93 178.008 177.925 0.083 1
1 1113 . 12 1 1 A 93 93 ALA CA C 93 54.634 54.608 0.026 1
1 1114 . 12 1 1 A 93 93 ALA CB C 93 18.198 18.057 0.141 1
1 1115 . 12 1 1 A 93 93 ALA N N 93 123.540 124.131 -0.591 1
1 1116 . 12 1 1 A 94 94 ASP H H 94 7.979 7.768 0.211 1
1 1117 . 12 1 1 A 94 94 ASP HA H 94 4.724 4.688 0.036 1
1 1120 . 12 1 1 A 94 94 ASP C C 94 174.324 175.806 -1.482 1
1 1121 . 12 1 1 A 94 94 ASP CA C 94 53.098 53.855 -0.757 1
1 1122 . 12 1 1 A 94 94 ASP CB C 94 39.336 41.042 -1.706 1
1 1123 . 12 1 1 A 94 94 ASP N N 94 113.209 117.244 -4.035 1
1 1124 . 12 1 1 A 95 95 GLU H H 95 8.152 8.914 -0.762 1
1 1125 . 12 1 1 A 95 95 GLU HA H 95 3.430 3.824 -0.394 1
1 1130 . 12 1 1 A 95 95 GLU C C 95 174.578 175.528 -0.950 1
1 1131 . 12 1 1 A 95 95 GLU CA C 95 57.687 58.037 -0.350 1
1 1132 . 12 1 1 A 95 95 GLU CB C 95 26.300 27.394 -1.094 1
1 1134 . 12 1 1 A 95 95 GLU N N 95 114.010 116.741 -2.731 1
1 1135 . 12 1 1 A 96 96 VAL H H 96 7.595 7.388 0.207 1
1 1136 . 12 1 1 A 96 96 VAL HA H 96 4.063 3.949 0.114 1
1 1144 . 12 1 1 A 96 96 VAL C C 96 175.293 175.190 0.103 1
1 1145 . 12 1 1 A 96 96 VAL CA C 96 62.751 63.095 -0.344 1
1 1146 . 12 1 1 A 96 96 VAL CB C 96 31.440 31.584 -0.144 1
1 1149 . 12 1 1 A 96 96 VAL N N 96 120.925 120.490 0.435 1
1 1150 . 12 1 1 A 97 97 HIS H H 97 8.603 9.142 -0.539 1
1 1151 . 12 1 1 A 97 97 HIS HA H 97 5.234 5.170 0.064 1
1 1156 . 12 1 1 A 97 97 HIS C C 97 174.348 173.444 0.904 1
1 1157 . 12 1 1 A 97 97 HIS CA C 97 54.404 54.121 0.283 1
1 1158 . 12 1 1 A 97 97 HIS CB C 97 30.536 32.101 -1.565 1
1 1161 . 12 1 1 A 97 97 HIS N N 97 124.160 126.742 -2.582 1
1 1162 . 12 1 1 A 98 98 TYR H H 98 9.267 8.755 0.512 1
1 1163 . 12 1 1 A 98 98 TYR HA H 98 4.532 4.747 -0.215 1
1 1170 . 12 1 1 A 98 98 TYR C C 98 173.621 174.613 -0.992 1
1 1171 . 12 1 1 A 98 98 TYR CA C 98 57.122 56.604 0.518 1
1 1172 . 12 1 1 A 98 98 TYR CB C 98 41.228 42.726 -1.498 1
1 1177 . 12 1 1 A 98 98 TYR N N 98 121.543 119.801 1.742 1
1 1178 . 12 1 1 A 99 99 PHE H H 99 8.861 8.963 -0.102 1
1 1179 . 12 1 1 A 99 99 PHE HA H 99 4.983 5.109 -0.126 1
1 1186 . 12 1 1 A 99 99 PHE C C 99 173.754 174.259 -0.505 1
1 1187 . 12 1 1 A 99 99 PHE CA C 99 57.705 56.299 1.406 1
1 1188 . 12 1 1 A 99 99 PHE CB C 99 41.516 40.526 0.990 1
1 1193 . 12 1 1 A 99 99 PHE N N 99 121.699 122.353 -0.654 1
1 1194 . 12 1 1 A 100 100 LEU H H 100 8.529 8.295 0.234 1
1 1195 . 12 1 1 A 100 100 LEU HA H 100 5.345 5.325 0.020 1
1 1205 . 12 1 1 A 100 100 LEU C C 100 174.942 174.575 0.367 1
1 1206 . 12 1 1 A 100 100 LEU CA C 100 52.781 52.694 0.087 1
1 1207 . 12 1 1 A 100 100 LEU CB C 100 44.518 43.281 1.237 1
1 1211 . 12 1 1 A 100 100 LEU N N 100 123.519 124.474 -0.955 1
1 1212 . 12 1 1 A 101 101 GLN H H 101 8.717 8.971 -0.254 1
1 1213 . 12 1 1 A 101 101 GLN HA H 101 4.886 4.806 0.080 1
1 1220 . 12 1 1 A 101 101 GLN C C 101 175.390 175.168 0.222 1
1 1221 . 12 1 1 A 101 101 GLN CA C 101 54.934 54.386 0.548 1
1 1222 . 12 1 1 A 101 101 GLN CB C 101 32.222 30.335 1.887 1
1 1224 . 12 1 1 A 101 101 GLN N N 101 117.786 124.715 -6.929 1
1 1226 . 12 1 1 A 102 102 ALA H H 102 8.256 9.688 -1.432 1
1 1227 . 12 1 1 A 102 102 ALA HA H 102 4.862 4.728 0.134 1
1 1231 . 12 1 1 A 102 102 ALA C C 102 176.008 177.975 -1.967 1
1 1232 . 12 1 1 A 102 102 ALA CA C 102 50.098 51.531 -1.433 1
1 1233 . 12 1 1 A 102 102 ALA CB C 102 21.606 20.138 1.468 1
1 1234 . 12 1 1 A 102 102 ALA N N 102 128.068 129.738 -1.670 1
1 1235 . 12 1 1 A 103 103 ALA H H 103 9.255 8.877 0.378 1
1 1236 . 12 1 1 A 103 103 ALA HA H 103 4.247 4.210 0.037 1
1 1240 . 12 1 1 A 103 103 ALA C C 103 178.153 177.858 0.295 1
1 1241 . 12 1 1 A 103 103 ALA CA C 103 54.369 55.448 -1.079 1
1 1242 . 12 1 1 A 103 103 ALA CB C 103 20.377 18.828 1.549 1
1 1243 . 12 1 1 A 103 103 ALA N N 103 120.410 123.436 -3.026 1
1 1244 . 12 1 1 A 104 104 THR H H 104 7.149 7.810 -0.661 1
1 1245 . 12 1 1 A 104 104 THR HA H 104 4.846 4.683 0.163 1
1 1250 . 12 1 1 A 104 104 THR C C 104 173.354 174.654 -1.300 1
1 1251 . 12 1 1 A 104 104 THR CA C 104 57.810 59.856 -2.046 1
1 1252 . 12 1 1 A 104 104 THR CB C 104 71.496 69.781 1.715 1
1 1254 . 12 1 1 A 104 104 THR N N 104 103.106 109.392 -6.286 1
1 1255 . 12 1 1 A 105 105 PRO HA H 105 4.225 4.608 -0.383 1
1 1262 . 12 1 1 A 105 105 PRO C C 105 179.704 178.226 1.478 1
1 1263 . 12 1 1 A 105 105 PRO CA C 105 65.046 64.294 0.752 1
1 1264 . 12 1 1 A 105 105 PRO CB C 105 31.775 31.842 -0.067 1
1 1267 . 12 1 1 A 106 106 LYS H H 106 7.764 7.942 -0.178 1
1 1268 . 12 1 1 A 106 106 LYS HA H 106 4.036 4.083 -0.047 1
1 1277 . 12 1 1 A 106 106 LYS C C 106 177.959 178.480 -0.521 1
1 1278 . 12 1 1 A 106 106 LYS CA C 106 59.452 59.472 -0.020 1
1 1279 . 12 1 1 A 106 106 LYS CB C 106 32.797 32.103 0.694 1
1 1283 . 12 1 1 A 106 106 LYS N N 106 119.261 118.833 0.428 1
1 1284 . 12 1 1 A 107 107 GLU H H 107 8.005 8.168 -0.163 1
1 1285 . 12 1 1 A 107 107 GLU HA H 107 4.171 3.991 0.180 1
1 1290 . 12 1 1 A 107 107 GLU C C 107 178.529 178.845 -0.316 1
1 1291 . 12 1 1 A 107 107 GLU CA C 107 59.310 59.511 -0.201 1
1 1292 . 12 1 1 A 107 107 GLU CB C 107 31.111 29.203 1.908 1
1 1294 . 12 1 1 A 107 107 GLU N N 107 119.293 119.072 0.221 1
1 1295 . 12 1 1 A 108 108 ARG H H 108 7.810 7.550 0.260 1
1 1296 . 12 1 1 A 108 108 ARG HA H 108 3.603 4.472 -0.869 1
1 1303 . 12 1 1 A 108 108 ARG C C 108 176.287 178.983 -2.696 1
1 1304 . 12 1 1 A 108 108 ARG CA C 108 60.598 59.126 1.472 1
1 1305 . 12 1 1 A 108 108 ARG CB C 108 29.548 30.168 -0.620 1
1 1308 . 12 1 1 A 108 108 ARG N N 108 118.989 119.814 -0.825 1
1 1309 . 12 1 1 A 109 109 THR H H 109 8.195 8.208 -0.013 1
1 1310 . 12 1 1 A 109 109 THR HA H 109 3.645 3.889 -0.244 1
1 1315 . 12 1 1 A 109 109 THR C C 109 176.227 176.341 -0.114 1
1 1316 . 12 1 1 A 109 109 THR CA C 109 67.022 67.294 -0.272 1
1 1317 . 12 1 1 A 109 109 THR CB C 109 68.576 68.668 -0.092 1
1 1319 . 12 1 1 A 109 109 THR N N 109 115.975 116.016 -0.041 1
1 1320 . 12 1 1 A 110 110 GLU H H 110 8.274 8.855 -0.581 1
1 1321 . 12 1 1 A 110 110 GLU HA H 110 3.794 3.917 -0.123 1
1 1326 . 12 1 1 A 110 110 GLU C C 110 180.516 179.245 1.271 1
1 1327 . 12 1 1 A 110 110 GLU CA C 110 59.534 59.644 -0.110 1
1 1328 . 12 1 1 A 110 110 GLU CB C 110 29.507 29.300 0.207 1
1 1330 . 12 1 1 A 110 110 GLU N N 110 119.565 118.905 0.660 1
1 1331 . 12 1 1 A 111 111 TRP H H 111 8.316 9.098 -0.782 1
1 1332 . 12 1 1 A 111 111 TRP HA H 111 3.912 4.352 -0.440 1
1 1341 . 12 1 1 A 111 111 TRP C C 111 178.020 178.723 -0.703 1
1 1342 . 12 1 1 A 111 111 TRP CA C 111 62.464 60.706 1.758 1
1 1343 . 12 1 1 A 111 111 TRP CB C 111 29.548 29.656 -0.108 1
1 1349 . 12 1 1 A 111 111 TRP N N 111 120.868 120.886 -0.018 1
1 1351 . 12 1 1 A 112 112 ILE H H 112 8.271 7.674 0.597 1
1 1352 . 12 1 1 A 112 112 ILE HA H 112 3.254 3.483 -0.229 1
1 1362 . 12 1 1 A 112 112 ILE C C 112 177.669 177.966 -0.297 1
1 1363 . 12 1 1 A 112 112 ILE CA C 112 67.040 64.909 2.131 1
1 1364 . 12 1 1 A 112 112 ILE CB C 112 37.856 37.563 0.293 1
1 1368 . 12 1 1 A 112 112 ILE N N 112 118.862 119.584 -0.722 1
1 1369 . 12 1 1 A 113 113 LYS H H 113 8.042 8.219 -0.177 1
1 1370 . 12 1 1 A 113 113 LYS HA H 113 3.991 3.996 -0.005 1
1 1379 . 12 1 1 A 113 113 LYS C C 113 178.977 179.193 -0.216 1
1 1380 . 12 1 1 A 113 113 LYS CA C 113 59.328 59.143 0.185 1
1 1381 . 12 1 1 A 113 113 LYS CB C 113 32.345 32.211 0.134 1
1 1385 . 12 1 1 A 113 113 LYS N N 113 117.182 119.766 -2.584 1
1 1386 . 12 1 1 A 114 114 ALA H H 114 7.686 8.730 -1.044 1
1 1387 . 12 1 1 A 114 114 ALA HA H 114 4.058 4.030 0.028 1
1 1391 . 12 1 1 A 114 114 ALA C C 114 179.849 179.852 -0.003 1
1 1392 . 12 1 1 A 114 114 ALA CA C 114 55.146 55.072 0.074 1
1 1393 . 12 1 1 A 114 114 ALA CB C 114 18.362 18.614 -0.252 1
1 1394 . 12 1 1 A 114 114 ALA N N 114 120.689 121.765 -1.076 1
1 1395 . 12 1 1 A 115 115 ILE H H 115 8.594 8.728 -0.134 1
1 1396 . 12 1 1 A 115 115 ILE HA H 115 3.534 3.560 -0.026 1
1 1406 . 12 1 1 A 115 115 ILE C C 115 178.432 178.098 0.334 1
1 1407 . 12 1 1 A 115 115 ILE CA C 115 66.016 65.598 0.418 1
1 1408 . 12 1 1 A 115 115 ILE CB C 115 38.390 37.624 0.766 1
1 1412 . 12 1 1 A 115 115 ILE N N 115 118.898 117.992 0.906 1
1 1413 . 12 1 1 A 116 116 GLN H H 116 8.732 8.570 0.162 1
1 1414 . 12 1 1 A 116 116 GLN HA H 116 3.851 4.333 -0.482 1
1 1421 . 12 1 1 A 116 116 GLN C C 116 179.655 178.272 1.383 1
1 1422 . 12 1 1 A 116 116 GLN CA C 116 59.575 59.238 0.337 1
1 1423 . 12 1 1 A 116 116 GLN CB C 116 28.222 28.633 -0.411 1
1 1425 . 12 1 1 A 116 116 GLN N N 116 119.877 118.335 1.542 1
1 1427 . 12 1 1 A 117 117 MET H H 117 8.279 8.265 0.014 1
1 1428 . 12 1 1 A 117 117 MET HA H 117 4.155 3.929 0.226 1
1 1436 . 12 1 1 A 117 117 MET C C 117 179.123 178.114 1.009 1
1 1437 . 12 1 1 A 117 117 MET CA C 117 58.658 58.581 0.077 1
1 1438 . 12 1 1 A 117 117 MET CB C 117 31.934 32.446 -0.512 1
1 1441 . 12 1 1 A 117 117 MET N N 117 118.855 119.539 -0.684 1
1 1442 . 12 1 1 A 118 118 ALA H H 118 8.266 7.493 0.773 1
1 1443 . 12 1 1 A 118 118 ALA HA H 118 4.240 4.024 0.216 1
1 1447 . 12 1 1 A 118 118 ALA C C 118 178.820 179.779 -0.959 1
1 1448 . 12 1 1 A 118 118 ALA CA C 118 54.604 55.164 -0.560 1
1 1449 . 12 1 1 A 118 118 ALA CB C 118 18.627 18.824 -0.197 1
1 1450 . 12 1 1 A 118 118 ALA N N 118 121.702 122.049 -0.347 1
1 1451 . 12 1 1 A 119 119 SER H H 119 8.073 9.019 -0.946 1
1 1452 . 12 1 1 A 119 119 SER HA H 119 4.027 4.179 -0.152 1
1 1455 . 12 1 1 A 119 119 SER C C 119 174.663 177.164 -2.501 1
1 1456 . 12 1 1 A 119 119 SER CA C 119 60.122 61.602 -1.480 1
1 1457 . 12 1 1 A 119 119 SER CB C 119 64.299 62.628 1.671 1
1 1458 . 12 1 1 A 119 119 SER N N 119 110.080 112.796 -2.716 1
1 1459 . 12 1 1 A 120 120 ARG H H 120 7.345 8.800 -1.455 1
1 1460 . 12 1 1 A 120 120 ARG HA H 120 4.383 4.141 0.242 1
1 1467 . 12 1 1 A 120 120 ARG C C 120 176.372 176.280 0.092 1
1 1468 . 12 1 1 A 120 120 ARG CA C 120 56.681 59.534 -2.853 1
1 1469 . 12 1 1 A 120 120 ARG CB C 120 30.248 30.070 0.178 1
1 1472 . 12 1 1 A 120 120 ARG N N 120 120.244 121.218 -0.974 1
1 1473 . 12 1 1 A 121 121 THR H H 121 8.070 8.021 0.049 1
1 1474 . 12 1 1 A 121 121 THR HA H 121 4.365 3.998 0.367 1
1 1479 . 12 1 1 A 121 121 THR C C 121 175.281 174.053 1.228 1
1 1480 . 12 1 1 A 121 121 THR CA C 121 62.557 62.785 -0.228 1
1 1481 . 12 1 1 A 121 121 THR CB C 121 70.298 67.129 3.169 1
1 1483 . 12 1 1 A 121 121 THR N N 121 114.024 113.199 0.825 1
1 1484 . 12 1 1 A 122 122 GLY H H 122 8.520 8.380 0.140 1
1 1485 . 12 1 1 A 122 122 GLY HA2 H 122 4.005 3.821 0.184 1
1 1486 . 12 1 1 A 122 122 GLY HA3 H 122 4.005 3.823 0.182 1
1 1487 . 12 1 1 A 122 122 GLY C C 122 174.118 174.830 -0.712 1
1 1488 . 12 1 1 A 122 122 GLY CA C 122 45.351 46.736 -1.385 1
1 1489 . 12 1 1 A 122 122 GLY N N 122 111.123 115.075 -3.952 1
1 1490 . 12 1 1 A 123 123 LYS H H 123 8.309 8.234 0.075 1
1 1491 . 12 1 1 A 123 123 LYS HA H 123 4.364 4.287 0.077 1
1 1500 . 12 1 1 A 123 123 LYS C C 123 176.772 174.805 1.967 1
1 1501 . 12 1 1 A 123 123 LYS CA C 123 56.310 57.895 -1.585 1
1 1502 . 12 1 1 A 123 123 LYS CB C 123 33.167 31.780 1.387 1
1 1506 . 12 1 1 A 123 123 LYS N N 123 121.100 122.247 -1.147 1
1 1507 . 12 1 1 A 124 124 SER H H 124 8.453 8.767 -0.314 1
1 1508 . 12 1 1 A 124 124 SER HA H 124 4.489 4.694 -0.205 1
1 1509 . 12 1 1 A 124 124 SER C C 124 174.518 175.058 -0.540 1
1 1510 . 12 1 1 A 124 124 SER CA C 124 58.357 58.648 -0.291 1
1 1511 . 12 1 1 A 124 124 SER CB C 124 64.052 63.633 0.419 1
1 1512 . 12 1 1 A 124 124 SER N N 124 117.316 121.031 -3.715 1
1 1513 . 12 1 1 A 125 125 GLY H H 125 8.278 8.718 -0.440 1
1 1514 . 12 1 1 A 125 125 GLY HA2 H 125 4.154 4.038 0.116 1
1 1515 . 12 1 1 A 125 125 GLY HA3 H 125 4.102 4.040 0.062 1
1 1516 . 12 1 1 A 125 125 GLY C C 125 171.827 172.830 -1.003 1
1 1517 . 12 1 1 A 125 125 GLY CA C 125 44.680 44.234 0.446 1
1 1518 . 12 1 1 A 125 125 GLY N N 125 110.670 113.077 -2.407 1
1 1519 . 12 1 1 A 126 126 PRO HA H 126 4.461 4.754 -0.293 1
1 1526 . 12 1 1 A 126 126 PRO C C 126 177.426 175.124 2.302 1
1 1527 . 12 1 1 A 126 126 PRO CA C 126 63.281 62.670 0.611 1
1 1528 . 12 1 1 A 126 126 PRO CB C 126 32.263 33.086 -0.823 1
1 1531 . 12 1 1 A 127 127 SER H H 127 8.556 9.006 -0.450 1
1 1532 . 12 1 1 A 127 127 SER HA H 127 4.489 4.849 -0.360 1
1 1535 . 12 1 1 A 127 127 SER C C 127 174.651 173.294 1.357 1
1 1536 . 12 1 1 A 127 127 SER CA C 127 58.410 56.177 2.233 1
1 1537 . 12 1 1 A 127 127 SER CB C 127 63.682 66.600 -2.918 1
1 1538 . 12 1 1 A 127 127 SER N N 127 116.423 116.679 -0.256 1
1 1539 . 12 1 1 A 128 128 SER H H 128 8.313 8.939 -0.626 1
1 1540 . 12 1 1 A 128 128 SER HA H 128 4.489 4.200 0.289 1
1 1543 . 12 1 1 A 128 128 SER C C 128 173.936 174.102 -0.166 1
1 1544 . 12 1 1 A 128 128 SER CA C 128 58.393 58.922 -0.529 1
1 1545 . 12 1 1 A 128 128 SER CB C 128 64.052 60.909 3.143 1
1 1546 . 12 1 1 A 128 128 SER N N 128 117.750 119.337 -1.587 1
1 1 . 13 1 1 A 6 6 SER HA H 6 4.475 4.846 -0.371 1
1 4 . 13 1 1 A 6 6 SER C C 6 174.978 173.253 1.725 1
1 5 . 13 1 1 A 6 6 SER CA C 6 58.657 57.530 1.127 1
1 6 . 13 1 1 A 6 6 SER CB C 6 63.682 65.516 -1.834 1
1 7 . 13 1 1 A 7 7 GLY H H 7 8.385 8.380 0.005 1
1 8 . 13 1 1 A 7 7 GLY HA2 H 7 3.947 4.046 -0.099 1
1 9 . 13 1 1 A 7 7 GLY HA3 H 7 3.947 4.049 -0.102 1
1 10 . 13 1 1 A 7 7 GLY C C 7 173.900 173.286 0.614 1
1 11 . 13 1 1 A 7 7 GLY CA C 7 45.280 45.697 -0.417 1
1 12 . 13 1 1 A 7 7 GLY N N 7 110.753 112.562 -1.809 1
1 13 . 13 1 1 A 8 8 VAL H H 8 7.896 8.222 -0.326 1
1 14 . 13 1 1 A 8 8 VAL HA H 8 4.046 4.744 -0.698 1
1 22 . 13 1 1 A 8 8 VAL C C 8 175.948 175.266 0.682 1
1 23 . 13 1 1 A 8 8 VAL CA C 8 62.399 60.181 2.218 1
1 24 . 13 1 1 A 8 8 VAL CB C 8 32.904 35.056 -2.152 1
1 27 . 13 1 1 A 8 8 VAL N N 8 119.771 121.200 -1.429 1
1 28 . 13 1 1 A 9 9 ILE H H 9 8.253 8.556 -0.303 1
1 29 . 13 1 1 A 9 9 ILE HA H 9 4.103 4.162 -0.059 1
1 39 . 13 1 1 A 9 9 ILE C C 9 175.984 175.789 0.195 1
1 40 . 13 1 1 A 9 9 ILE CA C 9 60.657 62.259 -1.602 1
1 41 . 13 1 1 A 9 9 ILE CB C 9 38.349 38.267 0.082 1
1 45 . 13 1 1 A 9 9 ILE N N 9 125.791 126.234 -0.443 1
1 46 . 13 1 1 A 10 10 LEU H H 10 8.374 8.558 -0.184 1
1 47 . 13 1 1 A 10 10 LEU HA H 10 4.379 5.129 -0.750 1
1 57 . 13 1 1 A 10 10 LEU C C 10 177.171 175.220 1.951 1
1 58 . 13 1 1 A 10 10 LEU CA C 10 54.598 53.618 0.980 1
1 59 . 13 1 1 A 10 10 LEU CB C 10 42.873 46.455 -3.582 1
1 63 . 13 1 1 A 10 10 LEU N N 10 127.929 125.917 2.012 1
1 64 . 13 1 1 A 11 11 LYS H H 11 8.414 9.047 -0.633 1
1 65 . 13 1 1 A 11 11 LYS HA H 11 4.214 4.638 -0.424 1
1 74 . 13 1 1 A 11 11 LYS C C 11 177.244 177.419 -0.175 1
1 75 . 13 1 1 A 11 11 LYS CA C 11 57.051 54.987 2.064 1
1 76 . 13 1 1 A 11 11 LYS CB C 11 33.332 34.148 -0.816 1
1 80 . 13 1 1 A 11 11 LYS N N 11 123.211 125.064 -1.853 1
1 81 . 13 1 1 A 12 12 GLU H H 12 8.629 8.566 0.063 1
1 82 . 13 1 1 A 12 12 GLU HA H 12 3.745 4.319 -0.574 1
1 87 . 13 1 1 A 12 12 GLU C C 12 177.366 177.644 -0.278 1
1 88 . 13 1 1 A 12 12 GLU CA C 12 59.663 57.741 1.922 1
1 89 . 13 1 1 A 12 12 GLU CB C 12 29.672 30.334 -0.662 1
1 91 . 13 1 1 A 12 12 GLU N N 12 122.998 121.074 1.924 1
1 92 . 13 1 1 A 13 13 GLU H H 13 8.043 8.510 -0.467 1
1 93 . 13 1 1 A 13 13 GLU HA H 13 3.333 4.114 -0.781 1
1 98 . 13 1 1 A 13 13 GLU C C 13 175.451 175.789 -0.338 1
1 99 . 13 1 1 A 13 13 GLU CA C 13 57.634 57.619 0.015 1
1 100 . 13 1 1 A 13 13 GLU CB C 13 28.567 28.169 0.398 1
1 102 . 13 1 1 A 13 13 GLU N N 13 113.498 117.485 -3.987 1
1 103 . 13 1 1 A 14 14 PHE H H 14 7.483 7.747 -0.264 1
1 104 . 13 1 1 A 14 14 PHE HA H 14 4.650 4.554 0.096 1
1 112 . 13 1 1 A 14 14 PHE C C 14 175.657 177.743 -2.086 1
1 113 . 13 1 1 A 14 14 PHE CA C 14 56.187 58.946 -2.759 1
1 114 . 13 1 1 A 14 14 PHE CB C 14 39.665 40.154 -0.489 1
1 120 . 13 1 1 A 14 14 PHE N N 14 115.879 118.509 -2.630 1
1 121 . 13 1 1 A 15 15 ARG H H 15 7.757 8.040 -0.283 1
1 122 . 13 1 1 A 15 15 ARG HA H 15 4.154 4.243 -0.089 1
1 129 . 13 1 1 A 15 15 ARG C C 15 177.353 177.478 -0.125 1
1 130 . 13 1 1 A 15 15 ARG CA C 15 58.092 57.719 0.373 1
1 131 . 13 1 1 A 15 15 ARG CB C 15 31.193 29.049 2.144 1
1 134 . 13 1 1 A 15 15 ARG N N 15 118.945 118.305 0.640 1
1 135 . 13 1 1 A 16 16 GLY H H 16 8.812 7.820 0.992 1
1 136 . 13 1 1 A 16 16 GLY HA2 H 16 4.194 4.135 0.059 1
1 137 . 13 1 1 A 16 16 GLY HA3 H 16 3.824 4.155 -0.331 1
1 138 . 13 1 1 A 16 16 GLY C C 16 173.427 172.762 0.665 1
1 139 . 13 1 1 A 16 16 GLY CA C 16 45.157 44.506 0.651 1
1 140 . 13 1 1 A 16 16 GLY N N 16 109.133 109.726 -0.593 1
1 141 . 13 1 1 A 17 17 VAL H H 17 8.308 8.327 -0.019 1
1 142 . 13 1 1 A 17 17 VAL HA H 17 4.060 4.856 -0.796 1
1 150 . 13 1 1 A 17 17 VAL C C 17 176.469 173.595 2.874 1
1 151 . 13 1 1 A 17 17 VAL CA C 17 62.098 59.298 2.800 1
1 152 . 13 1 1 A 17 17 VAL CB C 17 33.414 35.655 -2.241 1
1 155 . 13 1 1 A 17 17 VAL N N 17 120.815 119.173 1.642 1
1 156 . 13 1 1 A 18 18 ILE H H 18 8.547 8.699 -0.152 1
1 157 . 13 1 1 A 18 18 ILE HA H 18 4.186 4.892 -0.706 1
1 167 . 13 1 1 A 18 18 ILE C C 18 177.208 176.027 1.181 1
1 168 . 13 1 1 A 18 18 ILE CA C 18 63.175 59.474 3.701 1
1 169 . 13 1 1 A 18 18 ILE CB C 18 38.596 41.329 -2.733 1
1 173 . 13 1 1 A 18 18 ILE N N 18 125.006 122.576 2.430 1
1 174 . 13 1 1 A 19 19 ILE H H 19 9.127 8.329 0.798 1
1 175 . 13 1 1 A 19 19 ILE HA H 19 4.461 4.490 -0.029 1
1 185 . 13 1 1 A 19 19 ILE C C 19 176.081 175.752 0.329 1
1 186 . 13 1 1 A 19 19 ILE CA C 19 60.298 61.472 -1.174 1
1 187 . 13 1 1 A 19 19 ILE CB C 19 39.665 40.253 -0.588 1
1 191 . 13 1 1 A 19 19 ILE N N 19 124.358 120.330 4.028 1
1 192 . 13 1 1 A 20 20 LYS H H 20 7.620 7.797 -0.177 1
1 193 . 13 1 1 A 20 20 LYS HA H 20 4.325 4.736 -0.411 1
1 202 . 13 1 1 A 20 20 LYS C C 20 172.760 174.091 -1.331 1
1 203 . 13 1 1 A 20 20 LYS CA C 20 57.298 55.862 1.436 1
1 204 . 13 1 1 A 20 20 LYS CB C 20 36.458 35.630 0.828 1
1 208 . 13 1 1 A 20 20 LYS N N 20 121.749 122.091 -0.342 1
1 209 . 13 1 1 A 21 21 GLN H H 21 8.572 8.695 -0.123 1
1 210 . 13 1 1 A 21 21 GLN HA H 21 5.927 5.443 0.484 1
1 217 . 13 1 1 A 21 21 GLN C C 21 175.124 175.674 -0.550 1
1 218 . 13 1 1 A 21 21 GLN CA C 21 54.227 54.321 -0.094 1
1 219 . 13 1 1 A 21 21 GLN CB C 21 33.369 32.428 0.941 1
1 221 . 13 1 1 A 21 21 GLN N N 21 121.653 124.727 -3.074 1
1 223 . 13 1 1 A 22 22 GLY H H 22 9.178 8.218 0.960 1
1 224 . 13 1 1 A 22 22 GLY HA2 H 22 4.904 4.445 0.459 1
1 225 . 13 1 1 A 22 22 GLY HA3 H 22 4.447 4.518 -0.071 1
1 226 . 13 1 1 A 22 22 GLY C C 22 172.300 172.464 -0.164 1
1 227 . 13 1 1 A 22 22 GLY CA C 22 45.650 46.215 -0.565 1
1 228 . 13 1 1 A 22 22 GLY N N 22 108.544 109.394 -0.850 1
1 229 . 13 1 1 A 23 23 CYS H H 23 9.262 8.684 0.578 1
1 230 . 13 1 1 A 23 23 CYS HA H 23 5.904 5.959 -0.055 1
1 233 . 13 1 1 A 23 23 CYS C C 23 175.293 173.342 1.951 1
1 234 . 13 1 1 A 23 23 CYS CA C 23 59.222 57.562 1.660 1
1 235 . 13 1 1 A 23 23 CYS CB C 23 29.260 31.352 -2.092 1
1 236 . 13 1 1 A 23 23 CYS N N 23 118.575 119.536 -0.961 1
1 237 . 13 1 1 A 24 24 LEU H H 24 9.131 9.771 -0.640 1
1 238 . 13 1 1 A 24 24 LEU HA H 24 4.627 5.053 -0.426 1
1 248 . 13 1 1 A 24 24 LEU C C 24 175.354 175.423 -0.069 1
1 249 . 13 1 1 A 24 24 LEU CA C 24 53.963 53.704 0.259 1
1 250 . 13 1 1 A 24 24 LEU CB C 24 47.315 46.230 1.085 1
1 254 . 13 1 1 A 24 24 LEU N N 24 122.880 123.541 -0.661 1
1 255 . 13 1 1 A 25 25 LEU H H 25 7.968 8.992 -1.024 1
1 256 . 13 1 1 A 25 25 LEU HA H 25 5.056 5.118 -0.062 1
1 266 . 13 1 1 A 25 25 LEU C C 25 175.766 175.167 0.599 1
1 267 . 13 1 1 A 25 25 LEU CA C 25 54.810 54.337 0.473 1
1 268 . 13 1 1 A 25 25 LEU CB C 25 44.065 42.280 1.785 1
1 272 . 13 1 1 A 25 25 LEU N N 25 119.755 122.648 -2.893 1
1 273 . 13 1 1 A 26 26 LYS H H 26 9.307 8.567 0.740 1
1 274 . 13 1 1 A 26 26 LYS HA H 26 5.166 4.659 0.507 1
1 283 . 13 1 1 A 26 26 LYS C C 26 175.778 176.388 -0.610 1
1 284 . 13 1 1 A 26 26 LYS CA C 26 54.687 55.661 -0.974 1
1 285 . 13 1 1 A 26 26 LYS CB C 26 37.033 33.584 3.449 1
1 289 . 13 1 1 A 26 26 LYS N N 26 122.635 126.074 -3.439 1
1 290 . 13 1 1 A 27 27 GLN H H 27 8.228 8.224 0.004 1
1 291 . 13 1 1 A 27 27 GLN HA H 27 3.839 3.902 -0.063 1
1 298 . 13 1 1 A 27 27 GLN C C 27 176.869 175.544 1.325 1
1 299 . 13 1 1 A 27 27 GLN CA C 27 55.922 56.267 -0.345 1
1 300 . 13 1 1 A 27 27 GLN CB C 27 29.589 29.428 0.161 1
1 302 . 13 1 1 A 27 27 GLN N N 27 132.145 127.996 4.149 1
1 304 . 13 1 1 A 28 28 GLY H H 28 8.434 8.082 0.352 1
1 305 . 13 1 1 A 28 28 GLY HA2 H 28 4.144 4.209 -0.065 1
1 306 . 13 1 1 A 28 28 GLY HA3 H 28 3.999 4.243 -0.244 1
1 307 . 13 1 1 A 28 28 GLY CA C 28 45.457 44.718 0.739 1
1 308 . 13 1 1 A 28 28 GLY N N 28 114.691 109.872 4.819 1
1 309 . 13 1 1 A 29 29 HIS HA H 29 4.352 4.090 0.262 1
1 314 . 13 1 1 A 29 29 HIS CA C 29 58.505 59.437 -0.932 1
1 315 . 13 1 1 A 29 29 HIS CB C 29 30.967 30.124 0.843 1
1 318 . 13 1 1 A 30 30 ARG HA H 30 4.114 3.532 0.582 1
1 325 . 13 1 1 A 30 30 ARG CA C 30 56.429 58.832 -2.403 1
1 326 . 13 1 1 A 30 30 ARG CB C 30 29.591 29.772 -0.181 1
1 329 . 13 1 1 A 31 31 ARG HA H 31 3.774 3.922 -0.148 1
1 336 . 13 1 1 A 31 31 ARG C C 31 175.536 175.720 -0.184 1
1 337 . 13 1 1 A 31 31 ARG CA C 31 55.922 58.163 -2.241 1
1 338 . 13 1 1 A 31 31 ARG CB C 31 29.302 29.023 0.279 1
1 341 . 13 1 1 A 32 32 LYS H H 32 8.011 9.044 -1.033 1
1 342 . 13 1 1 A 32 32 LYS HA H 32 4.164 4.464 -0.300 1
1 351 . 13 1 1 A 32 32 LYS C C 32 175.741 175.804 -0.063 1
1 352 . 13 1 1 A 32 32 LYS CA C 32 56.239 57.741 -1.502 1
1 353 . 13 1 1 A 32 32 LYS CB C 32 32.016 31.953 0.063 1
1 357 . 13 1 1 A 32 32 LYS N N 32 117.463 118.550 -1.087 1
1 358 . 13 1 1 A 33 33 ASN H H 33 7.870 9.030 -1.160 1
1 359 . 13 1 1 A 33 33 ASN HA H 33 4.807 4.777 0.030 1
1 364 . 13 1 1 A 33 33 ASN C C 33 173.681 174.954 -1.273 1
1 365 . 13 1 1 A 33 33 ASN CA C 33 52.551 54.931 -2.380 1
1 366 . 13 1 1 A 33 33 ASN CB C 33 39.830 38.730 1.100 1
1 367 . 13 1 1 A 33 33 ASN N N 33 117.522 121.035 -3.513 1
1 369 . 13 1 1 A 34 34 TRP H H 34 8.704 8.593 0.111 1
1 370 . 13 1 1 A 34 34 TRP HA H 34 4.807 4.680 0.127 1
1 379 . 13 1 1 A 34 34 TRP C C 34 176.129 173.923 2.206 1
1 380 . 13 1 1 A 34 34 TRP CA C 34 56.540 59.363 -2.823 1
1 381 . 13 1 1 A 34 34 TRP CB C 34 31.399 28.264 3.135 1
1 387 . 13 1 1 A 34 34 TRP N N 34 121.620 119.120 2.500 1
1 389 . 13 1 1 A 35 35 LYS H H 35 8.457 8.916 -0.459 1
1 390 . 13 1 1 A 35 35 LYS HA H 35 4.876 4.895 -0.019 1
1 399 . 13 1 1 A 35 35 LYS C C 35 176.081 175.565 0.516 1
1 400 . 13 1 1 A 35 35 LYS CA C 35 54.298 55.053 -0.755 1
1 401 . 13 1 1 A 35 35 LYS CB C 35 36.498 35.697 0.801 1
1 405 . 13 1 1 A 35 35 LYS N N 35 120.816 121.059 -0.243 1
1 406 . 13 1 1 A 36 36 VAL H H 36 8.974 8.821 0.153 1
1 407 . 13 1 1 A 36 36 VAL HA H 36 4.254 4.334 -0.080 1
1 415 . 13 1 1 A 36 36 VAL C C 36 176.808 175.845 0.963 1
1 416 . 13 1 1 A 36 36 VAL CA C 36 63.828 63.499 0.329 1
1 417 . 13 1 1 A 36 36 VAL CB C 36 31.687 32.223 -0.536 1
1 420 . 13 1 1 A 36 36 VAL N N 36 123.825 125.803 -1.978 1
1 421 . 13 1 1 A 37 37 ARG H H 37 9.327 9.067 0.260 1
1 422 . 13 1 1 A 37 37 ARG HA H 37 4.930 4.972 -0.042 1
1 427 . 13 1 1 A 37 37 ARG C C 37 173.815 174.830 -1.015 1
1 428 . 13 1 1 A 37 37 ARG CA C 37 54.351 54.772 -0.421 1
1 429 . 13 1 1 A 37 37 ARG CB C 37 34.709 34.328 0.381 1
1 432 . 13 1 1 A 37 37 ARG N N 37 128.926 126.266 2.660 1
1 433 . 13 1 1 A 38 38 LYS H H 38 8.714 8.533 0.181 1
1 434 . 13 1 1 A 38 38 LYS HA H 38 4.959 5.080 -0.121 1
1 443 . 13 1 1 A 38 38 LYS C C 38 175.075 174.764 0.311 1
1 444 . 13 1 1 A 38 38 LYS CA C 38 55.869 55.992 -0.123 1
1 445 . 13 1 1 A 38 38 LYS CB C 38 34.072 33.191 0.881 1
1 449 . 13 1 1 A 38 38 LYS N N 38 121.669 123.762 -2.093 1
1 450 . 13 1 1 A 39 39 PHE H H 39 9.751 8.941 0.810 1
1 451 . 13 1 1 A 39 39 PHE HA H 39 5.591 5.130 0.461 1
1 459 . 13 1 1 A 39 39 PHE C C 39 175.414 175.435 -0.021 1
1 460 . 13 1 1 A 39 39 PHE CA C 39 57.474 57.626 -0.152 1
1 461 . 13 1 1 A 39 39 PHE CB C 39 42.667 40.003 2.664 1
1 467 . 13 1 1 A 39 39 PHE N N 39 127.216 126.708 0.508 1
1 468 . 13 1 1 A 40 40 ILE H H 40 9.246 10.150 -0.904 1
1 469 . 13 1 1 A 40 40 ILE HA H 40 4.864 5.249 -0.385 1
1 479 . 13 1 1 A 40 40 ILE C C 40 174.724 174.160 0.564 1
1 480 . 13 1 1 A 40 40 ILE CA C 40 62.134 60.126 2.008 1
1 481 . 13 1 1 A 40 40 ILE CB C 40 41.022 40.213 0.809 1
1 485 . 13 1 1 A 40 40 ILE N N 40 119.337 123.864 -4.527 1
1 486 . 13 1 1 A 41 41 LEU H H 41 9.549 9.208 0.341 1
1 487 . 13 1 1 A 41 41 LEU HA H 41 5.485 5.377 0.108 1
1 497 . 13 1 1 A 41 41 LEU C C 41 174.457 175.364 -0.907 1
1 498 . 13 1 1 A 41 41 LEU CA C 41 54.004 53.824 0.180 1
1 499 . 13 1 1 A 41 41 LEU CB C 41 45.299 45.423 -0.124 1
1 503 . 13 1 1 A 41 41 LEU N N 41 132.451 130.965 1.486 1
1 504 . 13 1 1 A 42 42 ARG H H 42 9.383 9.296 0.087 1
1 505 . 13 1 1 A 42 42 ARG HA H 42 5.492 5.125 0.367 1
1 513 . 13 1 1 A 42 42 ARG C C 42 174.893 175.285 -0.392 1
1 514 . 13 1 1 A 42 42 ARG CA C 42 54.421 54.594 -0.173 1
1 515 . 13 1 1 A 42 42 ARG CB C 42 35.470 33.661 1.809 1
1 518 . 13 1 1 A 42 42 ARG N N 42 128.467 125.089 3.378 1
1 520 . 13 1 1 A 43 43 GLU H H 43 8.259 8.683 -0.424 1
1 521 . 13 1 1 A 43 43 GLU HA H 43 4.366 4.838 -0.472 1
1 526 . 13 1 1 A 43 43 GLU C C 43 174.893 175.693 -0.800 1
1 527 . 13 1 1 A 43 43 GLU CA C 43 54.898 55.654 -0.756 1
1 528 . 13 1 1 A 43 43 GLU CB C 43 33.102 31.329 1.773 1
1 530 . 13 1 1 A 43 43 GLU N N 43 115.434 120.474 -5.040 1
1 531 . 13 1 1 A 44 44 ASP H H 44 7.870 8.783 -0.913 1
1 532 . 13 1 1 A 44 44 ASP HA H 44 4.433 4.166 0.267 1
1 535 . 13 1 1 A 44 44 ASP C C 44 172.991 174.051 -1.060 1
1 536 . 13 1 1 A 44 44 ASP CA C 44 53.892 54.846 -0.954 1
1 537 . 13 1 1 A 44 44 ASP CB C 44 41.146 39.576 1.570 1
1 538 . 13 1 1 A 44 44 ASP N N 44 114.444 117.833 -3.389 1
1 539 . 13 1 1 A 45 45 PRO HA H 45 4.710 4.584 0.126 1
1 546 . 13 1 1 A 45 45 PRO C C 45 176.747 175.482 1.265 1
1 547 . 13 1 1 A 45 45 PRO CA C 45 63.246 62.621 0.625 1
1 548 . 13 1 1 A 45 45 PRO CB C 45 34.977 32.679 2.298 1
1 551 . 13 1 1 A 46 46 ALA H H 46 8.356 8.234 0.122 1
1 552 . 13 1 1 A 46 46 ALA HA H 46 5.049 4.853 0.196 1
1 556 . 13 1 1 A 46 46 ALA C C 46 175.499 176.326 -0.827 1
1 557 . 13 1 1 A 46 46 ALA CA C 46 51.545 50.678 0.867 1
1 558 . 13 1 1 A 46 46 ALA CB C 46 19.655 19.589 0.066 1
1 559 . 13 1 1 A 46 46 ALA N N 46 122.969 123.073 -0.104 1
1 560 . 13 1 1 A 47 47 TYR H H 47 8.047 9.242 -1.195 1
1 561 . 13 1 1 A 47 47 TYR HA H 47 5.097 5.242 -0.145 1
1 568 . 13 1 1 A 47 47 TYR C C 47 173.730 174.492 -0.762 1
1 569 . 13 1 1 A 47 47 TYR CA C 47 57.563 56.461 1.102 1
1 570 . 13 1 1 A 47 47 TYR CB C 47 45.711 43.742 1.969 1
1 575 . 13 1 1 A 47 47 TYR N N 47 126.550 120.610 5.940 1
1 576 . 13 1 1 A 48 48 LEU H H 48 8.776 8.405 0.371 1
1 577 . 13 1 1 A 48 48 LEU HA H 48 5.578 5.345 0.233 1
1 587 . 13 1 1 A 48 48 LEU C C 48 175.039 174.663 0.376 1
1 588 . 13 1 1 A 48 48 LEU CA C 48 53.134 54.353 -1.219 1
1 589 . 13 1 1 A 48 48 LEU CB C 48 46.369 45.785 0.584 1
1 593 . 13 1 1 A 48 48 LEU N N 48 120.864 122.215 -1.351 1
1 594 . 13 1 1 A 49 49 HIS H H 49 8.974 9.185 -0.211 1
1 595 . 13 1 1 A 49 49 HIS HA H 49 5.181 5.167 0.014 1
1 600 . 13 1 1 A 49 49 HIS C C 49 174.712 173.594 1.118 1
1 601 . 13 1 1 A 49 49 HIS CA C 49 57.916 54.470 3.446 1
1 602 . 13 1 1 A 49 49 HIS CB C 49 35.347 32.270 3.077 1
1 605 . 13 1 1 A 49 49 HIS N N 49 124.417 126.171 -1.754 1
1 606 . 13 1 1 A 50 50 TYR H H 50 7.348 7.654 -0.306 1
1 607 . 13 1 1 A 50 50 TYR HA H 50 5.909 5.651 0.258 1
1 614 . 13 1 1 A 50 50 TYR C C 50 174.239 173.055 1.184 1
1 615 . 13 1 1 A 50 50 TYR CA C 50 53.610 55.056 -1.446 1
1 616 . 13 1 1 A 50 50 TYR CB C 50 40.077 40.731 -0.654 1
1 621 . 13 1 1 A 50 50 TYR N N 50 114.323 118.724 -4.401 1
1 622 . 13 1 1 A 51 51 TYR H H 51 9.230 9.250 -0.020 1
1 623 . 13 1 1 A 51 51 TYR HA H 51 4.555 4.961 -0.406 1
1 630 . 13 1 1 A 51 51 TYR C C 51 175.572 175.114 0.458 1
1 631 . 13 1 1 A 51 51 TYR CA C 51 57.175 57.257 -0.082 1
1 632 . 13 1 1 A 51 51 TYR CB C 51 42.709 41.720 0.989 1
1 637 . 13 1 1 A 51 51 TYR N N 51 117.695 122.735 -5.040 1
1 638 . 13 1 1 A 52 52 ASP H H 52 9.390 8.674 0.716 1
1 639 . 13 1 1 A 52 52 ASP HA H 52 4.937 4.947 -0.010 1
1 642 . 13 1 1 A 52 52 ASP CA C 52 52.057 51.770 0.287 1
1 643 . 13 1 1 A 52 52 ASP CB C 52 42.197 42.407 -0.210 1
1 644 . 13 1 1 A 52 52 ASP N N 52 123.964 122.353 1.611 1
1 645 . 13 1 1 A 53 53 PRO HA H 53 4.274 4.461 -0.187 1
1 652 . 13 1 1 A 53 53 PRO C C 53 176.360 178.224 -1.864 1
1 653 . 13 1 1 A 53 53 PRO CA C 53 64.728 64.990 -0.262 1
1 654 . 13 1 1 A 53 53 PRO CB C 53 32.016 32.076 -0.060 1
1 657 . 13 1 1 A 54 54 ALA H H 54 8.384 8.219 0.165 1
1 658 . 13 1 1 A 54 54 ALA HA H 54 4.492 4.076 0.416 1
1 662 . 13 1 1 A 54 54 ALA C C 54 177.620 177.605 0.015 1
1 663 . 13 1 1 A 54 54 ALA CA C 54 52.022 54.503 -2.481 1
1 664 . 13 1 1 A 54 54 ALA CB C 54 19.202 19.436 -0.234 1
1 665 . 13 1 1 A 54 54 ALA N N 54 120.140 118.925 1.215 1
1 666 . 13 1 1 A 55 55 GLY H H 55 7.710 7.892 -0.182 1
1 667 . 13 1 1 A 55 55 GLY HA2 H 55 4.194 4.122 0.072 1
1 668 . 13 1 1 A 55 55 GLY HA3 H 55 3.833 4.123 -0.290 1
1 669 . 13 1 1 A 55 55 GLY C C 55 173.524 172.949 0.575 1
1 670 . 13 1 1 A 55 55 GLY CA C 55 45.421 45.911 -0.490 1
1 671 . 13 1 1 A 55 55 GLY N N 55 107.828 103.637 4.191 1
1 672 . 13 1 1 A 56 56 ALA H H 56 8.339 8.430 -0.091 1
1 673 . 13 1 1 A 56 56 ALA HA H 56 4.378 3.990 0.388 1
1 677 . 13 1 1 A 56 56 ALA C C 56 177.741 176.909 0.832 1
1 678 . 13 1 1 A 56 56 ALA CA C 56 52.410 54.326 -1.916 1
1 679 . 13 1 1 A 56 56 ALA CB C 56 19.843 17.863 1.980 1
1 680 . 13 1 1 A 56 56 ALA N N 56 125.269 125.119 0.150 1
1 681 . 13 1 1 A 57 57 GLU H H 57 8.567 8.674 -0.107 1
1 682 . 13 1 1 A 57 57 GLU HA H 57 4.160 4.499 -0.339 1
1 687 . 13 1 1 A 57 57 GLU C C 57 176.335 175.753 0.582 1
1 688 . 13 1 1 A 57 57 GLU CA C 57 57.616 58.050 -0.434 1
1 689 . 13 1 1 A 57 57 GLU CB C 57 30.083 32.022 -1.939 1
1 691 . 13 1 1 A 57 57 GLU N N 57 119.341 119.832 -0.491 1
1 692 . 13 1 1 A 58 58 ASP H H 58 7.718 7.986 -0.268 1
1 693 . 13 1 1 A 58 58 ASP HA H 58 5.010 4.853 0.157 1
1 696 . 13 1 1 A 58 58 ASP C C 58 173.209 174.433 -1.224 1
1 697 . 13 1 1 A 58 58 ASP CA C 58 52.128 52.754 -0.626 1
1 698 . 13 1 1 A 58 58 ASP CB C 58 40.981 39.911 1.070 1
1 699 . 13 1 1 A 58 58 ASP N N 58 118.499 119.792 -1.293 1
1 700 . 13 1 1 A 59 59 PRO HA H 59 3.493 4.335 -0.842 1
1 707 . 13 1 1 A 59 59 PRO C C 59 177.111 177.830 -0.719 1
1 708 . 13 1 1 A 59 59 PRO CA C 59 63.069 62.471 0.598 1
1 709 . 13 1 1 A 59 59 PRO CB C 59 31.229 31.686 -0.457 1
1 712 . 13 1 1 A 60 60 LEU H H 60 8.770 8.281 0.489 1
1 713 . 13 1 1 A 60 60 LEU HA H 60 4.114 3.981 0.133 1
1 723 . 13 1 1 A 60 60 LEU C C 60 177.268 176.636 0.632 1
1 724 . 13 1 1 A 60 60 LEU CA C 60 55.181 56.690 -1.509 1
1 725 . 13 1 1 A 60 60 LEU CB C 60 42.750 42.447 0.303 1
1 729 . 13 1 1 A 60 60 LEU N N 60 121.907 120.877 1.030 1
1 730 . 13 1 1 A 61 61 GLY H H 61 6.472 6.478 -0.006 1
1 731 . 13 1 1 A 61 61 GLY HA2 H 61 3.798 3.847 -0.049 1
1 732 . 13 1 1 A 61 61 GLY HA3 H 61 3.382 3.903 -0.521 1
1 733 . 13 1 1 A 61 61 GLY C C 61 169.367 170.327 -0.960 1
1 734 . 13 1 1 A 61 61 GLY CA C 61 45.033 45.352 -0.319 1
1 735 . 13 1 1 A 61 61 GLY N N 61 103.740 103.328 0.412 1
1 736 . 13 1 1 A 62 62 ALA H H 62 8.024 8.284 -0.260 1
1 737 . 13 1 1 A 62 62 ALA HA H 62 4.644 5.213 -0.569 1
1 741 . 13 1 1 A 62 62 ALA C C 62 176.226 175.463 0.763 1
1 742 . 13 1 1 A 62 62 ALA CA C 62 50.839 50.899 -0.060 1
1 743 . 13 1 1 A 62 62 ALA CB C 62 23.914 22.653 1.261 1
1 744 . 13 1 1 A 62 62 ALA N N 62 120.249 121.299 -1.050 1
1 745 . 13 1 1 A 63 63 ILE H H 63 8.810 8.718 0.092 1
1 746 . 13 1 1 A 63 63 ILE HA H 63 4.119 4.782 -0.663 1
1 756 . 13 1 1 A 63 63 ILE C C 63 174.724 175.570 -0.846 1
1 757 . 13 1 1 A 63 63 ILE CA C 63 60.757 60.434 0.323 1
1 758 . 13 1 1 A 63 63 ILE CB C 63 40.319 40.016 0.303 1
1 762 . 13 1 1 A 63 63 ILE N N 63 122.110 119.588 2.522 1
1 763 . 13 1 1 A 64 64 HIS H H 64 9.073 9.080 -0.007 1
1 764 . 13 1 1 A 64 64 HIS HA H 64 3.948 4.629 -0.681 1
1 769 . 13 1 1 A 64 64 HIS C C 64 176.529 175.534 0.995 1
1 770 . 13 1 1 A 64 64 HIS CA C 64 54.951 57.581 -2.630 1
1 771 . 13 1 1 A 64 64 HIS CB C 64 30.494 31.006 -0.512 1
1 774 . 13 1 1 A 64 64 HIS N N 64 129.092 127.941 1.151 1
1 775 . 13 1 1 A 65 65 LEU H H 65 7.770 7.966 -0.196 1
1 776 . 13 1 1 A 65 65 LEU HA H 65 4.074 4.528 -0.454 1
1 786 . 13 1 1 A 65 65 LEU C C 65 176.808 176.980 -0.172 1
1 787 . 13 1 1 A 65 65 LEU CA C 65 54.951 54.546 0.405 1
1 788 . 13 1 1 A 65 65 LEU CB C 65 42.667 42.374 0.293 1
1 792 . 13 1 1 A 65 65 LEU N N 65 124.760 128.303 -3.543 1
1 793 . 13 1 1 A 66 66 ARG H H 66 6.515 7.646 -1.131 1
1 794 . 13 1 1 A 66 66 ARG HA H 66 4.085 3.868 0.217 1
1 801 . 13 1 1 A 66 66 ARG C C 66 178.638 176.848 1.790 1
1 802 . 13 1 1 A 66 66 ARG CA C 66 58.092 57.750 0.342 1
1 803 . 13 1 1 A 66 66 ARG CB C 66 29.525 29.572 -0.047 1
1 806 . 13 1 1 A 66 66 ARG N N 66 120.462 120.088 0.374 1
1 807 . 13 1 1 A 67 67 GLY H H 67 9.300 7.257 2.043 1
1 808 . 13 1 1 A 67 67 GLY HA2 H 67 4.045 3.992 0.053 1
1 809 . 13 1 1 A 67 67 GLY HA3 H 67 3.826 4.005 -0.179 1
1 810 . 13 1 1 A 67 67 GLY C C 67 173.996 173.832 0.164 1
1 811 . 13 1 1 A 67 67 GLY CA C 67 46.162 45.635 0.527 1
1 812 . 13 1 1 A 67 67 GLY N N 67 118.040 105.949 12.091 1
1 813 . 13 1 1 A 68 68 CYS H H 68 7.789 7.601 0.188 1
1 814 . 13 1 1 A 68 68 CYS HA H 68 4.779 4.452 0.327 1
1 817 . 13 1 1 A 68 68 CYS C C 68 173.148 174.038 -0.890 1
1 818 . 13 1 1 A 68 68 CYS CA C 68 57.545 59.145 -1.600 1
1 819 . 13 1 1 A 68 68 CYS CB C 68 28.644 28.666 -0.022 1
1 820 . 13 1 1 A 68 68 CYS N N 68 116.032 118.786 -2.754 1
1 821 . 13 1 1 A 69 69 VAL H H 69 8.665 9.616 -0.951 1
1 822 . 13 1 1 A 69 69 VAL HA H 69 4.364 4.886 -0.522 1
1 830 . 13 1 1 A 69 69 VAL C C 69 174.154 175.060 -0.906 1
1 831 . 13 1 1 A 69 69 VAL CA C 69 61.464 60.474 0.990 1
1 832 . 13 1 1 A 69 69 VAL CB C 69 35.041 35.596 -0.555 1
1 835 . 13 1 1 A 69 69 VAL N N 69 120.327 121.274 -0.947 1
1 836 . 13 1 1 A 70 70 VAL H H 70 8.656 8.604 0.052 1
1 837 . 13 1 1 A 70 70 VAL HA H 70 5.543 5.068 0.475 1
1 845 . 13 1 1 A 70 70 VAL C C 70 174.105 175.168 -1.063 1
1 846 . 13 1 1 A 70 70 VAL CA C 70 59.028 60.875 -1.847 1
1 847 . 13 1 1 A 70 70 VAL CB C 70 34.237 34.326 -0.089 1
1 850 . 13 1 1 A 70 70 VAL N N 70 124.719 125.470 -0.751 1
1 851 . 13 1 1 A 71 71 THR H H 71 8.883 8.865 0.018 1
1 852 . 13 1 1 A 71 71 THR HA H 71 4.724 4.765 -0.041 1
1 857 . 13 1 1 A 71 71 THR C C 71 173.087 172.205 0.882 1
1 858 . 13 1 1 A 71 71 THR CA C 71 59.875 60.602 -0.727 1
1 859 . 13 1 1 A 71 71 THR CB C 71 71.290 70.266 1.024 1
1 861 . 13 1 1 A 71 71 THR N N 71 120.107 120.295 -0.188 1
1 862 . 13 1 1 A 72 72 SER H H 72 8.706 8.617 0.089 1
1 863 . 13 1 1 A 72 72 SER HA H 72 4.455 5.237 -0.782 1
1 866 . 13 1 1 A 72 72 SER C C 72 174.082 174.254 -0.172 1
1 867 . 13 1 1 A 72 72 SER CA C 72 59.204 57.078 2.126 1
1 868 . 13 1 1 A 72 72 SER CB C 72 63.476 65.896 -2.420 1
1 869 . 13 1 1 A 72 72 SER N N 72 120.128 119.805 0.323 1
1 870 . 13 1 1 A 73 73 VAL H H 73 7.825 8.614 -0.789 1
1 871 . 13 1 1 A 73 73 VAL HA H 73 4.302 4.946 -0.644 1
1 879 . 13 1 1 A 73 73 VAL C C 73 175.160 176.005 -0.845 1
1 880 . 13 1 1 A 73 73 VAL CA C 73 62.010 59.807 2.203 1
1 881 . 13 1 1 A 73 73 VAL CB C 73 33.579 34.740 -1.161 1
1 884 . 13 1 1 A 73 73 VAL N N 73 125.377 116.753 8.624 1
1 885 . 13 1 1 A 74 74 GLU H H 74 8.706 8.659 0.047 1
1 886 . 13 1 1 A 74 74 GLU HA H 74 4.544 4.643 -0.099 1
1 891 . 13 1 1 A 74 74 GLU C C 74 176.420 175.951 0.469 1
1 892 . 13 1 1 A 74 74 GLU CA C 74 55.622 55.831 -0.209 1
1 893 . 13 1 1 A 74 74 GLU CB C 74 30.741 29.195 1.546 1
1 895 . 13 1 1 A 74 74 GLU N N 74 126.564 120.080 6.484 1
1 896 . 13 1 1 A 75 75 SER H H 75 8.639 7.637 1.002 1
1 897 . 13 1 1 A 75 75 SER HA H 75 4.447 4.963 -0.516 1
1 900 . 13 1 1 A 75 75 SER C C 75 174.299 173.289 1.010 1
1 901 . 13 1 1 A 75 75 SER CA C 75 58.339 58.082 0.257 1
1 902 . 13 1 1 A 75 75 SER CB C 75 64.170 62.964 1.206 1
1 903 . 13 1 1 A 75 75 SER N N 75 117.961 117.466 0.495 1
1 904 . 13 1 1 A 76 76 ASN H H 76 8.672 8.725 -0.053 1
1 905 . 13 1 1 A 76 76 ASN HA H 76 4.795 5.142 -0.347 1
1 910 . 13 1 1 A 76 76 ASN C C 76 175.584 175.583 0.001 1
1 911 . 13 1 1 A 76 76 ASN CA C 76 53.292 51.708 1.584 1
1 912 . 13 1 1 A 76 76 ASN CB C 76 39.089 41.714 -2.625 1
1 913 . 13 1 1 A 76 76 ASN N N 76 121.138 123.153 -2.015 1
1 915 . 13 1 1 A 78 78 ASN HA H 78 4.635 4.548 0.087 1
1 920 . 13 1 1 A 78 78 ASN C C 78 175.681 175.206 0.475 1
1 921 . 13 1 1 A 78 78 ASN CA C 78 53.610 53.950 -0.340 1
1 922 . 13 1 1 A 78 78 ASN CB C 78 38.496 38.812 -0.316 1
1 924 . 13 1 1 A 79 79 GLY H H 79 8.356 8.481 -0.125 1
1 925 . 13 1 1 A 79 79 GLY HA2 H 79 3.821 4.175 -0.354 1
1 926 . 13 1 1 A 79 79 GLY HA3 H 79 4.011 4.182 -0.171 1
1 927 . 13 1 1 A 79 79 GLY C C 79 174.154 173.799 0.355 1
1 928 . 13 1 1 A 79 79 GLY CA C 79 45.563 44.425 1.138 1
1 929 . 13 1 1 A 79 79 GLY N N 79 108.284 111.762 -3.478 1
1 930 . 13 1 1 A 80 80 ARG H H 80 7.919 8.694 -0.775 1
1 931 . 13 1 1 A 80 80 ARG HA H 80 4.344 3.849 0.495 1
1 938 . 13 1 1 A 80 80 ARG C C 80 176.117 174.645 1.472 1
1 939 . 13 1 1 A 80 80 ARG CA C 80 55.905 57.115 -1.210 1
1 940 . 13 1 1 A 80 80 ARG CB C 80 30.782 28.768 2.014 1
1 943 . 13 1 1 A 80 80 ARG N N 80 120.470 119.191 1.279 1
1 944 . 13 1 1 A 81 81 LYS H H 81 8.427 7.593 0.834 1
1 945 . 13 1 1 A 81 81 LYS HA H 81 4.350 4.536 -0.186 1
1 954 . 13 1 1 A 81 81 LYS C C 81 176.808 174.694 2.114 1
1 955 . 13 1 1 A 81 81 LYS CA C 81 56.416 55.540 0.876 1
1 956 . 13 1 1 A 81 81 LYS CB C 81 32.797 34.061 -1.264 1
1 960 . 13 1 1 A 81 81 LYS N N 81 122.963 118.945 4.018 1
1 961 . 13 1 1 A 82 82 SER H H 82 8.440 8.956 -0.516 1
1 962 . 13 1 1 A 82 82 SER HA H 82 4.380 4.470 -0.090 1
1 965 . 13 1 1 A 82 82 SER C C 82 174.833 173.783 1.050 1
1 966 . 13 1 1 A 82 82 SER CA C 82 58.763 57.591 1.172 1
1 967 . 13 1 1 A 82 82 SER CB C 82 63.723 61.689 2.034 1
1 968 . 13 1 1 A 82 82 SER N N 82 118.053 122.268 -4.215 1
1 969 . 13 1 1 A 83 83 GLU H H 83 8.648 8.514 0.134 1
1 970 . 13 1 1 A 83 83 GLU HA H 83 4.233 4.218 0.015 1
1 975 . 13 1 1 A 83 83 GLU C C 83 176.311 175.361 0.950 1
1 976 . 13 1 1 A 83 83 GLU CA C 83 57.104 56.904 0.200 1
1 977 . 13 1 1 A 83 83 GLU CB C 83 29.795 32.259 -2.464 1
1 979 . 13 1 1 A 83 83 GLU N N 83 121.793 126.881 -5.088 1
1 980 . 13 1 1 A 84 84 GLU H H 84 8.088 7.596 0.492 1
1 981 . 13 1 1 A 84 84 GLU HA H 84 4.161 4.410 -0.249 1
1 986 . 13 1 1 A 84 84 GLU C C 84 175.523 175.423 0.100 1
1 987 . 13 1 1 A 84 84 GLU CA C 84 56.275 55.150 1.125 1
1 988 . 13 1 1 A 84 84 GLU CB C 84 30.165 30.882 -0.717 1
1 990 . 13 1 1 A 84 84 GLU N N 84 119.385 117.893 1.492 1
1 991 . 13 1 1 A 85 85 GLU H H 85 7.907 8.891 -0.984 1
1 992 . 13 1 1 A 85 85 GLU HA H 85 4.350 4.654 -0.304 1
1 997 . 13 1 1 A 85 85 GLU C C 85 175.002 176.594 -1.592 1
1 998 . 13 1 1 A 85 85 GLU CA C 85 55.569 56.610 -1.041 1
1 999 . 13 1 1 A 85 85 GLU CB C 85 32.098 32.039 0.059 1
1 1001 . 13 1 1 A 85 85 GLU N N 85 120.414 124.336 -3.922 1
1 1002 . 13 1 1 A 86 86 ASN H H 86 8.569 7.977 0.592 1
1 1003 . 13 1 1 A 86 86 ASN HA H 86 4.225 4.966 -0.741 1
1 1008 . 13 1 1 A 86 86 ASN C C 86 175.147 175.862 -0.715 1
1 1009 . 13 1 1 A 86 86 ASN CA C 86 54.068 54.018 0.050 1
1 1010 . 13 1 1 A 86 86 ASN CB C 86 38.185 40.229 -2.044 1
1 1011 . 13 1 1 A 86 86 ASN N N 86 114.602 115.573 -0.971 1
1 1013 . 13 1 1 A 87 87 LEU H H 87 8.483 8.050 0.433 1
1 1014 . 13 1 1 A 87 87 LEU HA H 87 5.186 4.638 0.548 1
1 1024 . 13 1 1 A 87 87 LEU C C 87 178.480 175.212 3.268 1
1 1025 . 13 1 1 A 87 87 LEU CA C 87 55.128 56.316 -1.188 1
1 1026 . 13 1 1 A 87 87 LEU CB C 87 44.559 40.717 3.842 1
1 1030 . 13 1 1 A 87 87 LEU N N 87 121.334 117.918 3.416 1
1 1031 . 13 1 1 A 88 88 PHE H H 88 9.512 7.847 1.665 1
1 1032 . 13 1 1 A 88 88 PHE HA H 88 5.156 5.122 0.034 1
1 1040 . 13 1 1 A 88 88 PHE C C 88 170.288 172.005 -1.717 1
1 1041 . 13 1 1 A 88 88 PHE CA C 88 56.787 56.398 0.389 1
1 1042 . 13 1 1 A 88 88 PHE CB C 88 41.763 41.009 0.754 1
1 1048 . 13 1 1 A 88 88 PHE N N 88 119.324 116.171 3.153 1
1 1049 . 13 1 1 A 89 89 GLU H H 89 9.028 8.570 0.458 1
1 1050 . 13 1 1 A 89 89 GLU HA H 89 5.293 4.946 0.347 1
1 1055 . 13 1 1 A 89 89 GLU C C 89 175.245 175.133 0.112 1
1 1056 . 13 1 1 A 89 89 GLU CA C 89 53.433 55.114 -1.681 1
1 1057 . 13 1 1 A 89 89 GLU CB C 89 34.566 31.570 2.996 1
1 1059 . 13 1 1 A 89 89 GLU N N 89 121.829 120.170 1.659 1
1 1060 . 13 1 1 A 90 90 ILE H H 90 8.655 8.253 0.402 1
1 1061 . 13 1 1 A 90 90 ILE HA H 90 4.793 4.599 0.194 1
1 1071 . 13 1 1 A 90 90 ILE C C 90 174.808 174.989 -0.181 1
1 1072 . 13 1 1 A 90 90 ILE CA C 90 59.857 60.701 -0.844 1
1 1073 . 13 1 1 A 90 90 ILE CB C 90 41.886 40.509 1.377 1
1 1077 . 13 1 1 A 90 90 ILE N N 90 123.446 126.121 -2.675 1
1 1078 . 13 1 1 A 91 91 ILE H H 91 9.199 8.558 0.641 1
1 1079 . 13 1 1 A 91 91 ILE HA H 91 4.724 4.623 0.101 1
1 1089 . 13 1 1 A 91 91 ILE C C 91 177.898 176.386 1.512 1
1 1090 . 13 1 1 A 91 91 ILE CA C 91 60.211 61.287 -1.076 1
1 1091 . 13 1 1 A 91 91 ILE CB C 91 39.043 37.423 1.620 1
1 1095 . 13 1 1 A 91 91 ILE N N 91 126.827 128.833 -2.006 1
1 1096 . 13 1 1 A 92 92 THR H H 92 9.086 8.233 0.853 1
1 1097 . 13 1 1 A 92 92 THR HA H 92 4.314 4.746 -0.432 1
1 1102 . 13 1 1 A 92 92 THR C C 92 176.857 174.964 1.893 1
1 1103 . 13 1 1 A 92 92 THR CA C 92 61.693 60.188 1.505 1
1 1104 . 13 1 1 A 92 92 THR CB C 92 70.920 70.607 0.313 1
1 1106 . 13 1 1 A 92 92 THR N N 92 117.131 117.233 -0.102 1
1 1107 . 13 1 1 A 93 93 ALA H H 93 9.192 8.792 0.400 1
1 1108 . 13 1 1 A 93 93 ALA HA H 93 4.101 4.081 0.020 1
1 1112 . 13 1 1 A 93 93 ALA C C 93 178.008 177.395 0.613 1
1 1113 . 13 1 1 A 93 93 ALA CA C 93 54.634 54.154 0.480 1
1 1114 . 13 1 1 A 93 93 ALA CB C 93 18.198 18.573 -0.375 1
1 1115 . 13 1 1 A 93 93 ALA N N 93 123.540 123.864 -0.324 1
1 1116 . 13 1 1 A 94 94 ASP H H 94 7.979 7.659 0.320 1
1 1117 . 13 1 1 A 94 94 ASP HA H 94 4.724 4.710 0.014 1
1 1120 . 13 1 1 A 94 94 ASP C C 94 174.324 175.565 -1.241 1
1 1121 . 13 1 1 A 94 94 ASP CA C 94 53.098 53.755 -0.657 1
1 1122 . 13 1 1 A 94 94 ASP CB C 94 39.336 41.187 -1.851 1
1 1123 . 13 1 1 A 94 94 ASP N N 94 113.209 116.949 -3.740 1
1 1124 . 13 1 1 A 95 95 GLU H H 95 8.152 7.969 0.183 1
1 1125 . 13 1 1 A 95 95 GLU HA H 95 3.430 3.789 -0.359 1
1 1130 . 13 1 1 A 95 95 GLU C C 95 174.578 175.504 -0.926 1
1 1131 . 13 1 1 A 95 95 GLU CA C 95 57.687 58.096 -0.409 1
1 1132 . 13 1 1 A 95 95 GLU CB C 95 26.300 27.618 -1.318 1
1 1134 . 13 1 1 A 95 95 GLU N N 95 114.010 115.122 -1.112 1
1 1135 . 13 1 1 A 96 96 VAL H H 96 7.595 7.195 0.400 1
1 1136 . 13 1 1 A 96 96 VAL HA H 96 4.063 3.901 0.162 1
1 1144 . 13 1 1 A 96 96 VAL C C 96 175.293 175.118 0.175 1
1 1145 . 13 1 1 A 96 96 VAL CA C 96 62.751 63.204 -0.453 1
1 1146 . 13 1 1 A 96 96 VAL CB C 96 31.440 31.549 -0.109 1
1 1149 . 13 1 1 A 96 96 VAL N N 96 120.925 120.484 0.441 1
1 1150 . 13 1 1 A 97 97 HIS H H 97 8.603 9.119 -0.516 1
1 1151 . 13 1 1 A 97 97 HIS HA H 97 5.234 5.139 0.095 1
1 1156 . 13 1 1 A 97 97 HIS C C 97 174.348 173.473 0.875 1
1 1157 . 13 1 1 A 97 97 HIS CA C 97 54.404 53.617 0.787 1
1 1158 . 13 1 1 A 97 97 HIS CB C 97 30.536 32.070 -1.534 1
1 1161 . 13 1 1 A 97 97 HIS N N 97 124.160 126.849 -2.689 1
1 1162 . 13 1 1 A 98 98 TYR H H 98 9.267 8.743 0.524 1
1 1163 . 13 1 1 A 98 98 TYR HA H 98 4.532 4.878 -0.346 1
1 1170 . 13 1 1 A 98 98 TYR C C 98 173.621 174.543 -0.922 1
1 1171 . 13 1 1 A 98 98 TYR CA C 98 57.122 56.533 0.589 1
1 1172 . 13 1 1 A 98 98 TYR CB C 98 41.228 42.279 -1.051 1
1 1177 . 13 1 1 A 98 98 TYR N N 98 121.543 120.099 1.444 1
1 1178 . 13 1 1 A 99 99 PHE H H 99 8.861 9.237 -0.376 1
1 1179 . 13 1 1 A 99 99 PHE HA H 99 4.983 5.327 -0.344 1
1 1186 . 13 1 1 A 99 99 PHE C C 99 173.754 174.247 -0.493 1
1 1187 . 13 1 1 A 99 99 PHE CA C 99 57.705 56.409 1.296 1
1 1188 . 13 1 1 A 99 99 PHE CB C 99 41.516 40.040 1.476 1
1 1193 . 13 1 1 A 99 99 PHE N N 99 121.699 122.357 -0.658 1
1 1194 . 13 1 1 A 100 100 LEU H H 100 8.529 8.122 0.407 1
1 1195 . 13 1 1 A 100 100 LEU HA H 100 5.345 5.441 -0.096 1
1 1205 . 13 1 1 A 100 100 LEU C C 100 174.942 175.083 -0.141 1
1 1206 . 13 1 1 A 100 100 LEU CA C 100 52.781 52.886 -0.105 1
1 1207 . 13 1 1 A 100 100 LEU CB C 100 44.518 43.513 1.005 1
1 1211 . 13 1 1 A 100 100 LEU N N 100 123.519 125.202 -1.683 1
1 1212 . 13 1 1 A 101 101 GLN H H 101 8.717 8.441 0.276 1
1 1213 . 13 1 1 A 101 101 GLN HA H 101 4.886 4.662 0.224 1
1 1220 . 13 1 1 A 101 101 GLN C C 101 175.390 174.671 0.719 1
1 1221 . 13 1 1 A 101 101 GLN CA C 101 54.934 54.726 0.208 1
1 1222 . 13 1 1 A 101 101 GLN CB C 101 32.222 30.107 2.115 1
1 1224 . 13 1 1 A 101 101 GLN N N 101 117.786 124.184 -6.398 1
1 1226 . 13 1 1 A 102 102 ALA H H 102 8.256 8.623 -0.367 1
1 1227 . 13 1 1 A 102 102 ALA HA H 102 4.862 4.920 -0.058 1
1 1231 . 13 1 1 A 102 102 ALA C C 102 176.008 178.330 -2.322 1
1 1232 . 13 1 1 A 102 102 ALA CA C 102 50.098 50.797 -0.699 1
1 1233 . 13 1 1 A 102 102 ALA CB C 102 21.606 20.598 1.008 1
1 1234 . 13 1 1 A 102 102 ALA N N 102 128.068 129.864 -1.796 1
1 1235 . 13 1 1 A 103 103 ALA H H 103 9.255 8.744 0.511 1
1 1236 . 13 1 1 A 103 103 ALA HA H 103 4.247 4.172 0.075 1
1 1240 . 13 1 1 A 103 103 ALA C C 103 178.153 177.532 0.621 1
1 1241 . 13 1 1 A 103 103 ALA CA C 103 54.369 55.170 -0.801 1
1 1242 . 13 1 1 A 103 103 ALA CB C 103 20.377 19.064 1.313 1
1 1243 . 13 1 1 A 103 103 ALA N N 103 120.410 124.670 -4.260 1
1 1244 . 13 1 1 A 104 104 THR H H 104 7.149 7.788 -0.639 1
1 1245 . 13 1 1 A 104 104 THR HA H 104 4.846 4.917 -0.071 1
1 1250 . 13 1 1 A 104 104 THR C C 104 173.354 173.858 -0.504 1
1 1251 . 13 1 1 A 104 104 THR CA C 104 57.810 59.020 -1.210 1
1 1252 . 13 1 1 A 104 104 THR CB C 104 71.496 71.426 0.070 1
1 1254 . 13 1 1 A 104 104 THR N N 104 103.106 107.690 -4.584 1
1 1255 . 13 1 1 A 105 105 PRO HA H 105 4.225 4.559 -0.334 1
1 1262 . 13 1 1 A 105 105 PRO C C 105 179.704 177.892 1.812 1
1 1263 . 13 1 1 A 105 105 PRO CA C 105 65.046 64.398 0.648 1
1 1264 . 13 1 1 A 105 105 PRO CB C 105 31.775 31.950 -0.175 1
1 1267 . 13 1 1 A 106 106 LYS H H 106 7.764 7.964 -0.200 1
1 1268 . 13 1 1 A 106 106 LYS HA H 106 4.036 4.082 -0.046 1
1 1277 . 13 1 1 A 106 106 LYS C C 106 177.959 178.482 -0.523 1
1 1278 . 13 1 1 A 106 106 LYS CA C 106 59.452 59.464 -0.012 1
1 1279 . 13 1 1 A 106 106 LYS CB C 106 32.797 32.059 0.738 1
1 1283 . 13 1 1 A 106 106 LYS N N 106 119.261 118.796 0.465 1
1 1284 . 13 1 1 A 107 107 GLU H H 107 8.005 7.685 0.320 1
1 1285 . 13 1 1 A 107 107 GLU HA H 107 4.171 4.013 0.158 1
1 1290 . 13 1 1 A 107 107 GLU C C 107 178.529 178.769 -0.240 1
1 1291 . 13 1 1 A 107 107 GLU CA C 107 59.310 59.095 0.215 1
1 1292 . 13 1 1 A 107 107 GLU CB C 107 31.111 29.331 1.780 1
1 1294 . 13 1 1 A 107 107 GLU N N 107 119.293 118.438 0.855 1
1 1295 . 13 1 1 A 108 108 ARG H H 108 7.810 7.570 0.240 1
1 1296 . 13 1 1 A 108 108 ARG HA H 108 3.603 4.233 -0.630 1
1 1303 . 13 1 1 A 108 108 ARG C C 108 176.287 179.024 -2.737 1
1 1304 . 13 1 1 A 108 108 ARG CA C 108 60.598 58.996 1.602 1
1 1305 . 13 1 1 A 108 108 ARG CB C 108 29.548 30.192 -0.644 1
1 1308 . 13 1 1 A 108 108 ARG N N 108 118.989 120.016 -1.027 1
1 1309 . 13 1 1 A 109 109 THR H H 109 8.195 7.750 0.445 1
1 1310 . 13 1 1 A 109 109 THR HA H 109 3.645 3.771 -0.126 1
1 1315 . 13 1 1 A 109 109 THR C C 109 176.227 176.635 -0.408 1
1 1316 . 13 1 1 A 109 109 THR CA C 109 67.022 67.397 -0.375 1
1 1317 . 13 1 1 A 109 109 THR CB C 109 68.576 67.962 0.614 1
1 1319 . 13 1 1 A 109 109 THR N N 109 115.975 115.821 0.154 1
1 1320 . 13 1 1 A 110 110 GLU H H 110 8.274 8.097 0.177 1
1 1321 . 13 1 1 A 110 110 GLU HA H 110 3.794 3.913 -0.119 1
1 1326 . 13 1 1 A 110 110 GLU C C 110 180.516 179.307 1.209 1
1 1327 . 13 1 1 A 110 110 GLU CA C 110 59.534 59.498 0.036 1
1 1328 . 13 1 1 A 110 110 GLU CB C 110 29.507 29.113 0.394 1
1 1330 . 13 1 1 A 110 110 GLU N N 110 119.565 119.570 -0.005 1
1 1331 . 13 1 1 A 111 111 TRP H H 111 8.316 9.000 -0.684 1
1 1332 . 13 1 1 A 111 111 TRP HA H 111 3.912 4.349 -0.437 1
1 1341 . 13 1 1 A 111 111 TRP C C 111 178.020 178.560 -0.540 1
1 1342 . 13 1 1 A 111 111 TRP CA C 111 62.464 60.201 2.263 1
1 1343 . 13 1 1 A 111 111 TRP CB C 111 29.548 29.227 0.321 1
1 1349 . 13 1 1 A 111 111 TRP N N 111 120.868 120.812 0.056 1
1 1351 . 13 1 1 A 112 112 ILE H H 112 8.271 7.776 0.495 1
1 1352 . 13 1 1 A 112 112 ILE HA H 112 3.254 3.580 -0.326 1
1 1362 . 13 1 1 A 112 112 ILE C C 112 177.669 177.992 -0.323 1
1 1363 . 13 1 1 A 112 112 ILE CA C 112 67.040 64.917 2.123 1
1 1364 . 13 1 1 A 112 112 ILE CB C 112 37.856 37.823 0.033 1
1 1368 . 13 1 1 A 112 112 ILE N N 112 118.862 119.730 -0.868 1
1 1369 . 13 1 1 A 113 113 LYS H H 113 8.042 8.312 -0.270 1
1 1370 . 13 1 1 A 113 113 LYS HA H 113 3.991 4.068 -0.077 1
1 1379 . 13 1 1 A 113 113 LYS C C 113 178.977 179.090 -0.113 1
1 1380 . 13 1 1 A 113 113 LYS CA C 113 59.328 58.980 0.348 1
1 1381 . 13 1 1 A 113 113 LYS CB C 113 32.345 32.097 0.248 1
1 1385 . 13 1 1 A 113 113 LYS N N 113 117.182 119.754 -2.572 1
1 1386 . 13 1 1 A 114 114 ALA H H 114 7.686 8.641 -0.955 1
1 1387 . 13 1 1 A 114 114 ALA HA H 114 4.058 3.987 0.071 1
1 1391 . 13 1 1 A 114 114 ALA C C 114 179.849 179.805 0.044 1
1 1392 . 13 1 1 A 114 114 ALA CA C 114 55.146 55.118 0.028 1
1 1393 . 13 1 1 A 114 114 ALA CB C 114 18.362 18.787 -0.425 1
1 1394 . 13 1 1 A 114 114 ALA N N 114 120.689 122.335 -1.646 1
1 1395 . 13 1 1 A 115 115 ILE H H 115 8.594 9.248 -0.654 1
1 1396 . 13 1 1 A 115 115 ILE HA H 115 3.534 3.680 -0.146 1
1 1406 . 13 1 1 A 115 115 ILE C C 115 178.432 178.336 0.096 1
1 1407 . 13 1 1 A 115 115 ILE CA C 115 66.016 64.977 1.039 1
1 1408 . 13 1 1 A 115 115 ILE CB C 115 38.390 37.421 0.969 1
1 1412 . 13 1 1 A 115 115 ILE N N 115 118.898 117.777 1.121 1
1 1413 . 13 1 1 A 116 116 GLN H H 116 8.732 8.553 0.179 1
1 1414 . 13 1 1 A 116 116 GLN HA H 116 3.851 4.362 -0.511 1
1 1421 . 13 1 1 A 116 116 GLN C C 116 179.655 178.353 1.302 1
1 1422 . 13 1 1 A 116 116 GLN CA C 116 59.575 58.882 0.693 1
1 1423 . 13 1 1 A 116 116 GLN CB C 116 28.222 28.537 -0.315 1
1 1425 . 13 1 1 A 116 116 GLN N N 116 119.877 119.098 0.779 1
1 1427 . 13 1 1 A 117 117 MET H H 117 8.279 7.996 0.283 1
1 1428 . 13 1 1 A 117 117 MET HA H 117 4.155 4.043 0.112 1
1 1436 . 13 1 1 A 117 117 MET C C 117 179.123 178.387 0.736 1
1 1437 . 13 1 1 A 117 117 MET CA C 117 58.658 58.431 0.227 1
1 1438 . 13 1 1 A 117 117 MET CB C 117 31.934 32.616 -0.682 1
1 1441 . 13 1 1 A 117 117 MET N N 117 118.855 119.382 -0.527 1
1 1442 . 13 1 1 A 118 118 ALA H H 118 8.266 7.649 0.617 1
1 1443 . 13 1 1 A 118 118 ALA HA H 118 4.240 4.086 0.154 1
1 1447 . 13 1 1 A 118 118 ALA C C 118 178.820 179.540 -0.720 1
1 1448 . 13 1 1 A 118 118 ALA CA C 118 54.604 54.980 -0.376 1
1 1449 . 13 1 1 A 118 118 ALA CB C 118 18.627 18.904 -0.277 1
1 1450 . 13 1 1 A 118 118 ALA N N 118 121.702 121.644 0.058 1
1 1451 . 13 1 1 A 119 119 SER H H 119 8.073 8.998 -0.925 1
1 1452 . 13 1 1 A 119 119 SER HA H 119 4.027 4.256 -0.229 1
1 1455 . 13 1 1 A 119 119 SER C C 119 174.663 177.179 -2.516 1
1 1456 . 13 1 1 A 119 119 SER CA C 119 60.122 61.659 -1.537 1
1 1457 . 13 1 1 A 119 119 SER CB C 119 64.299 62.412 1.887 1
1 1458 . 13 1 1 A 119 119 SER N N 119 110.080 112.887 -2.807 1
1 1459 . 13 1 1 A 120 120 ARG H H 120 7.345 8.568 -1.223 1
1 1460 . 13 1 1 A 120 120 ARG HA H 120 4.383 4.114 0.269 1
1 1467 . 13 1 1 A 120 120 ARG C C 120 176.372 176.710 -0.338 1
1 1468 . 13 1 1 A 120 120 ARG CA C 120 56.681 58.915 -2.234 1
1 1469 . 13 1 1 A 120 120 ARG CB C 120 30.248 29.826 0.422 1
1 1472 . 13 1 1 A 120 120 ARG N N 120 120.244 121.787 -1.543 1
1 1473 . 13 1 1 A 121 121 THR H H 121 8.070 8.730 -0.660 1
1 1474 . 13 1 1 A 121 121 THR HA H 121 4.365 4.299 0.066 1
1 1479 . 13 1 1 A 121 121 THR C C 121 175.281 174.372 0.909 1
1 1480 . 13 1 1 A 121 121 THR CA C 121 62.557 62.693 -0.136 1
1 1481 . 13 1 1 A 121 121 THR CB C 121 70.298 68.989 1.309 1
1 1483 . 13 1 1 A 121 121 THR N N 121 114.024 114.098 -0.074 1
1 1484 . 13 1 1 A 122 122 GLY H H 122 8.520 8.593 -0.073 1
1 1485 . 13 1 1 A 122 122 GLY HA2 H 122 4.005 4.112 -0.107 1
1 1486 . 13 1 1 A 122 122 GLY HA3 H 122 4.005 4.115 -0.110 1
1 1487 . 13 1 1 A 122 122 GLY C C 122 174.118 174.407 -0.289 1
1 1488 . 13 1 1 A 122 122 GLY CA C 122 45.351 45.448 -0.097 1
1 1489 . 13 1 1 A 122 122 GLY N N 122 111.123 110.393 0.730 1
1 1490 . 13 1 1 A 123 123 LYS H H 123 8.309 7.422 0.887 1
1 1491 . 13 1 1 A 123 123 LYS HA H 123 4.364 4.110 0.254 1
1 1500 . 13 1 1 A 123 123 LYS C C 123 176.772 176.836 -0.064 1
1 1501 . 13 1 1 A 123 123 LYS CA C 123 56.310 57.826 -1.516 1
1 1502 . 13 1 1 A 123 123 LYS CB C 123 33.167 32.659 0.508 1
1 1506 . 13 1 1 A 123 123 LYS N N 123 121.100 120.587 0.513 1
1 1507 . 13 1 1 A 124 124 SER H H 124 8.453 8.818 -0.365 1
1 1508 . 13 1 1 A 124 124 SER HA H 124 4.489 4.149 0.340 1
1 1509 . 13 1 1 A 124 124 SER C C 124 174.518 173.634 0.884 1
1 1510 . 13 1 1 A 124 124 SER CA C 124 58.357 60.535 -2.178 1
1 1511 . 13 1 1 A 124 124 SER CB C 124 64.052 62.127 1.925 1
1 1512 . 13 1 1 A 124 124 SER N N 124 117.316 114.388 2.928 1
1 1513 . 13 1 1 A 125 125 GLY H H 125 8.278 7.470 0.808 1
1 1514 . 13 1 1 A 125 125 GLY HA2 H 125 4.154 4.043 0.111 1
1 1515 . 13 1 1 A 125 125 GLY HA3 H 125 4.102 4.043 0.059 1
1 1516 . 13 1 1 A 125 125 GLY C C 125 171.827 172.359 -0.532 1
1 1517 . 13 1 1 A 125 125 GLY CA C 125 44.680 45.277 -0.597 1
1 1518 . 13 1 1 A 125 125 GLY N N 125 110.670 105.656 5.014 1
1 1519 . 13 1 1 A 126 126 PRO HA H 126 4.461 4.703 -0.242 1
1 1526 . 13 1 1 A 126 126 PRO C C 126 177.426 175.813 1.613 1
1 1527 . 13 1 1 A 126 126 PRO CA C 126 63.281 62.390 0.891 1
1 1528 . 13 1 1 A 126 126 PRO CB C 126 32.263 29.175 3.088 1
1 1531 . 13 1 1 A 127 127 SER H H 127 8.556 8.454 0.102 1
1 1532 . 13 1 1 A 127 127 SER HA H 127 4.489 4.603 -0.114 1
1 1535 . 13 1 1 A 127 127 SER C C 127 174.651 174.461 0.190 1
1 1536 . 13 1 1 A 127 127 SER CA C 127 58.410 58.157 0.253 1
1 1537 . 13 1 1 A 127 127 SER CB C 127 63.682 63.404 0.278 1
1 1538 . 13 1 1 A 127 127 SER N N 127 116.423 114.619 1.804 1
1 1539 . 13 1 1 A 128 128 SER H H 128 8.313 8.257 0.056 1
1 1540 . 13 1 1 A 128 128 SER HA H 128 4.489 4.155 0.334 1
1 1543 . 13 1 1 A 128 128 SER C C 128 173.936 175.083 -1.147 1
1 1544 . 13 1 1 A 128 128 SER CA C 128 58.393 61.880 -3.487 1
1 1545 . 13 1 1 A 128 128 SER CB C 128 64.052 62.836 1.216 1
1 1546 . 13 1 1 A 128 128 SER N N 128 117.750 116.248 1.502 1
1 1 . 14 1 1 A 6 6 SER HA H 6 4.475 4.982 -0.507 1
1 4 . 14 1 1 A 6 6 SER C C 6 174.978 173.476 1.502 1
1 5 . 14 1 1 A 6 6 SER CA C 6 58.657 57.442 1.215 1
1 6 . 14 1 1 A 6 6 SER CB C 6 63.682 65.266 -1.584 1
1 7 . 14 1 1 A 7 7 GLY H H 7 8.385 8.289 0.096 1
1 8 . 14 1 1 A 7 7 GLY HA2 H 7 3.947 3.984 -0.037 1
1 9 . 14 1 1 A 7 7 GLY HA3 H 7 3.947 3.989 -0.042 1
1 10 . 14 1 1 A 7 7 GLY C C 7 173.900 174.283 -0.383 1
1 11 . 14 1 1 A 7 7 GLY CA C 7 45.280 45.342 -0.062 1
1 12 . 14 1 1 A 7 7 GLY N N 7 110.753 113.495 -2.742 1
1 13 . 14 1 1 A 8 8 VAL H H 8 7.896 8.402 -0.506 1
1 14 . 14 1 1 A 8 8 VAL HA H 8 4.046 4.075 -0.029 1
1 22 . 14 1 1 A 8 8 VAL C C 8 175.948 175.400 0.548 1
1 23 . 14 1 1 A 8 8 VAL CA C 8 62.399 62.927 -0.528 1
1 24 . 14 1 1 A 8 8 VAL CB C 8 32.904 31.423 1.481 1
1 27 . 14 1 1 A 8 8 VAL N N 8 119.771 120.558 -0.787 1
1 28 . 14 1 1 A 9 9 ILE H H 9 8.253 8.616 -0.363 1
1 29 . 14 1 1 A 9 9 ILE HA H 9 4.103 4.047 0.056 1
1 39 . 14 1 1 A 9 9 ILE C C 9 175.984 174.909 1.075 1
1 40 . 14 1 1 A 9 9 ILE CA C 9 60.657 63.340 -2.683 1
1 41 . 14 1 1 A 9 9 ILE CB C 9 38.349 36.820 1.529 1
1 45 . 14 1 1 A 9 9 ILE N N 9 125.791 121.929 3.862 1
1 46 . 14 1 1 A 10 10 LEU H H 10 8.374 8.696 -0.322 1
1 47 . 14 1 1 A 10 10 LEU HA H 10 4.379 4.437 -0.058 1
1 57 . 14 1 1 A 10 10 LEU C C 10 177.171 175.862 1.309 1
1 58 . 14 1 1 A 10 10 LEU CA C 10 54.598 54.275 0.323 1
1 59 . 14 1 1 A 10 10 LEU CB C 10 42.873 43.742 -0.869 1
1 63 . 14 1 1 A 10 10 LEU N N 10 127.929 125.841 2.088 1
1 64 . 14 1 1 A 11 11 LYS H H 11 8.414 8.412 0.002 1
1 65 . 14 1 1 A 11 11 LYS HA H 11 4.214 4.645 -0.431 1
1 74 . 14 1 1 A 11 11 LYS C C 11 177.244 176.232 1.012 1
1 75 . 14 1 1 A 11 11 LYS CA C 11 57.051 55.331 1.720 1
1 76 . 14 1 1 A 11 11 LYS CB C 11 33.332 34.126 -0.794 1
1 80 . 14 1 1 A 11 11 LYS N N 11 123.211 118.907 4.304 1
1 81 . 14 1 1 A 12 12 GLU H H 12 8.629 8.326 0.303 1
1 82 . 14 1 1 A 12 12 GLU HA H 12 3.745 4.501 -0.756 1
1 87 . 14 1 1 A 12 12 GLU C C 12 177.366 177.975 -0.609 1
1 88 . 14 1 1 A 12 12 GLU CA C 12 59.663 57.329 2.334 1
1 89 . 14 1 1 A 12 12 GLU CB C 12 29.672 32.081 -2.409 1
1 91 . 14 1 1 A 12 12 GLU N N 12 122.998 121.851 1.147 1
1 92 . 14 1 1 A 13 13 GLU H H 13 8.043 8.032 0.011 1
1 93 . 14 1 1 A 13 13 GLU HA H 13 3.333 4.134 -0.801 1
1 98 . 14 1 1 A 13 13 GLU C C 13 175.451 177.337 -1.886 1
1 99 . 14 1 1 A 13 13 GLU CA C 13 57.634 58.629 -0.995 1
1 100 . 14 1 1 A 13 13 GLU CB C 13 28.567 28.467 0.100 1
1 102 . 14 1 1 A 13 13 GLU N N 13 113.498 119.332 -5.834 1
1 103 . 14 1 1 A 14 14 PHE H H 14 7.483 7.388 0.095 1
1 104 . 14 1 1 A 14 14 PHE HA H 14 4.650 4.475 0.175 1
1 112 . 14 1 1 A 14 14 PHE C C 14 175.657 176.480 -0.823 1
1 113 . 14 1 1 A 14 14 PHE CA C 14 56.187 58.464 -2.277 1
1 114 . 14 1 1 A 14 14 PHE CB C 14 39.665 38.635 1.030 1
1 120 . 14 1 1 A 14 14 PHE N N 14 115.879 117.426 -1.547 1
1 121 . 14 1 1 A 15 15 ARG H H 15 7.757 7.845 -0.088 1
1 122 . 14 1 1 A 15 15 ARG HA H 15 4.154 4.534 -0.380 1
1 129 . 14 1 1 A 15 15 ARG C C 15 177.353 175.474 1.879 1
1 130 . 14 1 1 A 15 15 ARG CA C 15 58.092 55.682 2.410 1
1 131 . 14 1 1 A 15 15 ARG CB C 15 31.193 28.367 2.826 1
1 134 . 14 1 1 A 15 15 ARG N N 15 118.945 119.120 -0.175 1
1 135 . 14 1 1 A 16 16 GLY H H 16 8.812 8.727 0.085 1
1 136 . 14 1 1 A 16 16 GLY HA2 H 16 4.194 4.307 -0.113 1
1 137 . 14 1 1 A 16 16 GLY HA3 H 16 3.824 4.340 -0.516 1
1 138 . 14 1 1 A 16 16 GLY C C 16 173.427 171.714 1.713 1
1 139 . 14 1 1 A 16 16 GLY CA C 16 45.157 46.019 -0.862 1
1 140 . 14 1 1 A 16 16 GLY N N 16 109.133 108.781 0.352 1
1 141 . 14 1 1 A 17 17 VAL H H 17 8.308 7.923 0.385 1
1 142 . 14 1 1 A 17 17 VAL HA H 17 4.060 4.998 -0.938 1
1 150 . 14 1 1 A 17 17 VAL C C 17 176.469 173.581 2.888 1
1 151 . 14 1 1 A 17 17 VAL CA C 17 62.098 59.317 2.781 1
1 152 . 14 1 1 A 17 17 VAL CB C 17 33.414 35.802 -2.388 1
1 155 . 14 1 1 A 17 17 VAL N N 17 120.815 119.197 1.618 1
1 156 . 14 1 1 A 18 18 ILE H H 18 8.547 8.780 -0.233 1
1 157 . 14 1 1 A 18 18 ILE HA H 18 4.186 5.131 -0.945 1
1 167 . 14 1 1 A 18 18 ILE C C 18 177.208 176.237 0.971 1
1 168 . 14 1 1 A 18 18 ILE CA C 18 63.175 59.650 3.525 1
1 169 . 14 1 1 A 18 18 ILE CB C 18 38.596 40.871 -2.275 1
1 173 . 14 1 1 A 18 18 ILE N N 18 125.006 123.114 1.892 1
1 174 . 14 1 1 A 19 19 ILE H H 19 9.127 8.285 0.842 1
1 175 . 14 1 1 A 19 19 ILE HA H 19 4.461 4.440 0.021 1
1 185 . 14 1 1 A 19 19 ILE C C 19 176.081 175.345 0.736 1
1 186 . 14 1 1 A 19 19 ILE CA C 19 60.298 61.324 -1.026 1
1 187 . 14 1 1 A 19 19 ILE CB C 19 39.665 40.223 -0.558 1
1 191 . 14 1 1 A 19 19 ILE N N 19 124.358 120.365 3.993 1
1 192 . 14 1 1 A 20 20 LYS H H 20 7.620 7.807 -0.187 1
1 193 . 14 1 1 A 20 20 LYS HA H 20 4.325 4.713 -0.388 1
1 202 . 14 1 1 A 20 20 LYS C C 20 172.760 174.781 -2.021 1
1 203 . 14 1 1 A 20 20 LYS CA C 20 57.298 54.422 2.876 1
1 204 . 14 1 1 A 20 20 LYS CB C 20 36.458 35.300 1.158 1
1 208 . 14 1 1 A 20 20 LYS N N 20 121.749 122.016 -0.267 1
1 209 . 14 1 1 A 21 21 GLN H H 21 8.572 8.450 0.122 1
1 210 . 14 1 1 A 21 21 GLN HA H 21 5.927 5.307 0.620 1
1 217 . 14 1 1 A 21 21 GLN C C 21 175.124 174.848 0.276 1
1 218 . 14 1 1 A 21 21 GLN CA C 21 54.227 54.875 -0.648 1
1 219 . 14 1 1 A 21 21 GLN CB C 21 33.369 33.307 0.062 1
1 221 . 14 1 1 A 21 21 GLN N N 21 121.653 124.194 -2.541 1
1 223 . 14 1 1 A 22 22 GLY H H 22 9.178 8.218 0.960 1
1 224 . 14 1 1 A 22 22 GLY HA2 H 22 4.904 4.334 0.570 1
1 225 . 14 1 1 A 22 22 GLY HA3 H 22 4.447 4.430 0.017 1
1 226 . 14 1 1 A 22 22 GLY C C 22 172.300 172.389 -0.089 1
1 227 . 14 1 1 A 22 22 GLY CA C 22 45.650 45.607 0.043 1
1 228 . 14 1 1 A 22 22 GLY N N 22 108.544 109.005 -0.461 1
1 229 . 14 1 1 A 23 23 CYS H H 23 9.262 8.810 0.452 1
1 230 . 14 1 1 A 23 23 CYS HA H 23 5.904 5.841 0.063 1
1 233 . 14 1 1 A 23 23 CYS C C 23 175.293 173.740 1.553 1
1 234 . 14 1 1 A 23 23 CYS CA C 23 59.222 57.260 1.962 1
1 235 . 14 1 1 A 23 23 CYS CB C 23 29.260 30.752 -1.492 1
1 236 . 14 1 1 A 23 23 CYS N N 23 118.575 117.615 0.960 1
1 237 . 14 1 1 A 24 24 LEU H H 24 9.131 10.049 -0.918 1
1 238 . 14 1 1 A 24 24 LEU HA H 24 4.627 4.938 -0.311 1
1 248 . 14 1 1 A 24 24 LEU C C 24 175.354 175.402 -0.048 1
1 249 . 14 1 1 A 24 24 LEU CA C 24 53.963 53.709 0.254 1
1 250 . 14 1 1 A 24 24 LEU CB C 24 47.315 45.898 1.417 1
1 254 . 14 1 1 A 24 24 LEU N N 24 122.880 123.066 -0.186 1
1 255 . 14 1 1 A 25 25 LEU H H 25 7.968 8.959 -0.991 1
1 256 . 14 1 1 A 25 25 LEU HA H 25 5.056 5.404 -0.348 1
1 266 . 14 1 1 A 25 25 LEU C C 25 175.766 175.128 0.638 1
1 267 . 14 1 1 A 25 25 LEU CA C 25 54.810 54.269 0.541 1
1 268 . 14 1 1 A 25 25 LEU CB C 25 44.065 42.205 1.860 1
1 272 . 14 1 1 A 25 25 LEU N N 25 119.755 122.679 -2.924 1
1 273 . 14 1 1 A 26 26 LYS H H 26 9.307 8.953 0.354 1
1 274 . 14 1 1 A 26 26 LYS HA H 26 5.166 4.928 0.238 1
1 283 . 14 1 1 A 26 26 LYS C C 26 175.778 175.875 -0.097 1
1 284 . 14 1 1 A 26 26 LYS CA C 26 54.687 55.573 -0.886 1
1 285 . 14 1 1 A 26 26 LYS CB C 26 37.033 33.801 3.232 1
1 289 . 14 1 1 A 26 26 LYS N N 26 122.635 126.339 -3.704 1
1 290 . 14 1 1 A 27 27 GLN H H 27 8.228 8.311 -0.083 1
1 291 . 14 1 1 A 27 27 GLN HA H 27 3.839 4.301 -0.462 1
1 298 . 14 1 1 A 27 27 GLN C C 27 176.869 176.106 0.763 1
1 299 . 14 1 1 A 27 27 GLN CA C 27 55.922 54.734 1.188 1
1 300 . 14 1 1 A 27 27 GLN CB C 27 29.589 30.136 -0.547 1
1 302 . 14 1 1 A 27 27 GLN N N 27 132.145 125.500 6.645 1
1 304 . 14 1 1 A 28 28 GLY H H 28 8.434 8.550 -0.116 1
1 305 . 14 1 1 A 28 28 GLY HA2 H 28 4.144 4.063 0.081 1
1 306 . 14 1 1 A 28 28 GLY HA3 H 28 3.999 4.084 -0.085 1
1 307 . 14 1 1 A 28 28 GLY CA C 28 45.457 45.425 0.032 1
1 308 . 14 1 1 A 28 28 GLY N N 28 114.691 109.969 4.722 1
1 309 . 14 1 1 A 29 29 HIS HA H 29 4.352 4.649 -0.297 1
1 314 . 14 1 1 A 29 29 HIS CA C 29 58.505 56.893 1.612 1
1 315 . 14 1 1 A 29 29 HIS CB C 29 30.967 31.172 -0.205 1
1 318 . 14 1 1 A 30 30 ARG HA H 30 4.114 4.089 0.025 1
1 325 . 14 1 1 A 30 30 ARG CA C 30 56.429 55.311 1.118 1
1 326 . 14 1 1 A 30 30 ARG CB C 30 29.591 31.264 -1.673 1
1 329 . 14 1 1 A 31 31 ARG HA H 31 3.774 3.854 -0.080 1
1 336 . 14 1 1 A 31 31 ARG C C 31 175.536 175.228 0.308 1
1 337 . 14 1 1 A 31 31 ARG CA C 31 55.922 56.925 -1.003 1
1 338 . 14 1 1 A 31 31 ARG CB C 31 29.302 28.857 0.445 1
1 341 . 14 1 1 A 32 32 LYS H H 32 8.011 8.032 -0.021 1
1 342 . 14 1 1 A 32 32 LYS HA H 32 4.164 4.475 -0.311 1
1 351 . 14 1 1 A 32 32 LYS C C 32 175.741 175.194 0.547 1
1 352 . 14 1 1 A 32 32 LYS CA C 32 56.239 57.091 -0.852 1
1 353 . 14 1 1 A 32 32 LYS CB C 32 32.016 35.760 -3.744 1
1 357 . 14 1 1 A 32 32 LYS N N 32 117.463 120.633 -3.170 1
1 358 . 14 1 1 A 33 33 ASN H H 33 7.870 7.679 0.191 1
1 359 . 14 1 1 A 33 33 ASN HA H 33 4.807 5.308 -0.501 1
1 364 . 14 1 1 A 33 33 ASN C C 33 173.681 173.716 -0.035 1
1 365 . 14 1 1 A 33 33 ASN CA C 33 52.551 51.909 0.642 1
1 366 . 14 1 1 A 33 33 ASN CB C 33 39.830 42.863 -3.033 1
1 367 . 14 1 1 A 33 33 ASN N N 33 117.522 114.385 3.137 1
1 369 . 14 1 1 A 34 34 TRP H H 34 8.704 8.885 -0.181 1
1 370 . 14 1 1 A 34 34 TRP HA H 34 4.807 4.973 -0.166 1
1 379 . 14 1 1 A 34 34 TRP C C 34 176.129 175.887 0.242 1
1 380 . 14 1 1 A 34 34 TRP CA C 34 56.540 56.798 -0.258 1
1 381 . 14 1 1 A 34 34 TRP CB C 34 31.399 30.697 0.702 1
1 387 . 14 1 1 A 34 34 TRP N N 34 121.620 121.147 0.473 1
1 389 . 14 1 1 A 35 35 LYS H H 35 8.457 8.987 -0.530 1
1 390 . 14 1 1 A 35 35 LYS HA H 35 4.876 5.070 -0.194 1
1 399 . 14 1 1 A 35 35 LYS C C 35 176.081 176.129 -0.048 1
1 400 . 14 1 1 A 35 35 LYS CA C 35 54.298 54.684 -0.386 1
1 401 . 14 1 1 A 35 35 LYS CB C 35 36.498 35.858 0.640 1
1 405 . 14 1 1 A 35 35 LYS N N 35 120.816 123.316 -2.500 1
1 406 . 14 1 1 A 36 36 VAL H H 36 8.974 8.623 0.351 1
1 407 . 14 1 1 A 36 36 VAL HA H 36 4.254 4.616 -0.362 1
1 415 . 14 1 1 A 36 36 VAL C C 36 176.808 175.959 0.849 1
1 416 . 14 1 1 A 36 36 VAL CA C 36 63.828 61.727 2.101 1
1 417 . 14 1 1 A 36 36 VAL CB C 36 31.687 32.500 -0.813 1
1 420 . 14 1 1 A 36 36 VAL N N 36 123.825 124.653 -0.828 1
1 421 . 14 1 1 A 37 37 ARG H H 37 9.327 8.722 0.605 1
1 422 . 14 1 1 A 37 37 ARG HA H 37 4.930 4.828 0.102 1
1 427 . 14 1 1 A 37 37 ARG C C 37 173.815 174.521 -0.706 1
1 428 . 14 1 1 A 37 37 ARG CA C 37 54.351 54.891 -0.540 1
1 429 . 14 1 1 A 37 37 ARG CB C 37 34.709 34.568 0.141 1
1 432 . 14 1 1 A 37 37 ARG N N 37 128.926 125.817 3.109 1
1 433 . 14 1 1 A 38 38 LYS H H 38 8.714 8.750 -0.036 1
1 434 . 14 1 1 A 38 38 LYS HA H 38 4.959 4.853 0.106 1
1 443 . 14 1 1 A 38 38 LYS C C 38 175.075 175.352 -0.277 1
1 444 . 14 1 1 A 38 38 LYS CA C 38 55.869 56.162 -0.293 1
1 445 . 14 1 1 A 38 38 LYS CB C 38 34.072 33.834 0.238 1
1 449 . 14 1 1 A 38 38 LYS N N 38 121.669 123.678 -2.009 1
1 450 . 14 1 1 A 39 39 PHE H H 39 9.751 9.923 -0.172 1
1 451 . 14 1 1 A 39 39 PHE HA H 39 5.591 5.381 0.210 1
1 459 . 14 1 1 A 39 39 PHE C C 39 175.414 174.772 0.642 1
1 460 . 14 1 1 A 39 39 PHE CA C 39 57.474 56.781 0.693 1
1 461 . 14 1 1 A 39 39 PHE CB C 39 42.667 41.505 1.162 1
1 467 . 14 1 1 A 39 39 PHE N N 39 127.216 124.238 2.978 1
1 468 . 14 1 1 A 40 40 ILE H H 40 9.246 10.477 -1.231 1
1 469 . 14 1 1 A 40 40 ILE HA H 40 4.864 5.218 -0.354 1
1 479 . 14 1 1 A 40 40 ILE C C 40 174.724 174.425 0.299 1
1 480 . 14 1 1 A 40 40 ILE CA C 40 62.134 60.232 1.902 1
1 481 . 14 1 1 A 40 40 ILE CB C 40 41.022 40.574 0.448 1
1 485 . 14 1 1 A 40 40 ILE N N 40 119.337 124.001 -4.664 1
1 486 . 14 1 1 A 41 41 LEU H H 41 9.549 9.399 0.150 1
1 487 . 14 1 1 A 41 41 LEU HA H 41 5.485 5.372 0.113 1
1 497 . 14 1 1 A 41 41 LEU C C 41 174.457 174.843 -0.386 1
1 498 . 14 1 1 A 41 41 LEU CA C 41 54.004 53.594 0.410 1
1 499 . 14 1 1 A 41 41 LEU CB C 41 45.299 45.475 -0.176 1
1 503 . 14 1 1 A 41 41 LEU N N 41 132.451 130.725 1.726 1
1 504 . 14 1 1 A 42 42 ARG H H 42 9.383 9.332 0.051 1
1 505 . 14 1 1 A 42 42 ARG HA H 42 5.492 5.536 -0.044 1
1 513 . 14 1 1 A 42 42 ARG C C 42 174.893 175.173 -0.280 1
1 514 . 14 1 1 A 42 42 ARG CA C 42 54.421 54.364 0.057 1
1 515 . 14 1 1 A 42 42 ARG CB C 42 35.470 33.387 2.083 1
1 518 . 14 1 1 A 42 42 ARG N N 42 128.467 125.519 2.948 1
1 520 . 14 1 1 A 43 43 GLU H H 43 8.259 8.261 -0.002 1
1 521 . 14 1 1 A 43 43 GLU HA H 43 4.366 4.794 -0.428 1
1 526 . 14 1 1 A 43 43 GLU C C 43 174.893 175.949 -1.056 1
1 527 . 14 1 1 A 43 43 GLU CA C 43 54.898 55.781 -0.883 1
1 528 . 14 1 1 A 43 43 GLU CB C 43 33.102 31.022 2.080 1
1 530 . 14 1 1 A 43 43 GLU N N 43 115.434 123.687 -8.253 1
1 531 . 14 1 1 A 44 44 ASP H H 44 7.870 9.061 -1.191 1
1 532 . 14 1 1 A 44 44 ASP HA H 44 4.433 4.280 0.153 1
1 535 . 14 1 1 A 44 44 ASP C C 44 172.991 174.373 -1.382 1
1 536 . 14 1 1 A 44 44 ASP CA C 44 53.892 54.959 -1.067 1
1 537 . 14 1 1 A 44 44 ASP CB C 44 41.146 39.590 1.556 1
1 538 . 14 1 1 A 44 44 ASP N N 44 114.444 120.075 -5.631 1
1 539 . 14 1 1 A 45 45 PRO HA H 45 4.710 4.585 0.125 1
1 546 . 14 1 1 A 45 45 PRO C C 45 176.747 175.519 1.228 1
1 547 . 14 1 1 A 45 45 PRO CA C 45 63.246 62.623 0.623 1
1 548 . 14 1 1 A 45 45 PRO CB C 45 34.977 32.824 2.153 1
1 551 . 14 1 1 A 46 46 ALA H H 46 8.356 8.230 0.126 1
1 552 . 14 1 1 A 46 46 ALA HA H 46 5.049 4.949 0.100 1
1 556 . 14 1 1 A 46 46 ALA C C 46 175.499 176.035 -0.536 1
1 557 . 14 1 1 A 46 46 ALA CA C 46 51.545 50.899 0.646 1
1 558 . 14 1 1 A 46 46 ALA CB C 46 19.655 19.666 -0.011 1
1 559 . 14 1 1 A 46 46 ALA N N 46 122.969 123.298 -0.329 1
1 560 . 14 1 1 A 47 47 TYR H H 47 8.047 9.356 -1.309 1
1 561 . 14 1 1 A 47 47 TYR HA H 47 5.097 5.239 -0.142 1
1 568 . 14 1 1 A 47 47 TYR C C 47 173.730 174.557 -0.827 1
1 569 . 14 1 1 A 47 47 TYR CA C 47 57.563 56.320 1.243 1
1 570 . 14 1 1 A 47 47 TYR CB C 47 45.711 43.568 2.143 1
1 575 . 14 1 1 A 47 47 TYR N N 47 126.550 120.868 5.682 1
1 576 . 14 1 1 A 48 48 LEU H H 48 8.776 8.420 0.356 1
1 577 . 14 1 1 A 48 48 LEU HA H 48 5.578 5.408 0.170 1
1 587 . 14 1 1 A 48 48 LEU C C 48 175.039 174.814 0.225 1
1 588 . 14 1 1 A 48 48 LEU CA C 48 53.134 53.968 -0.834 1
1 589 . 14 1 1 A 48 48 LEU CB C 48 46.369 45.278 1.091 1
1 593 . 14 1 1 A 48 48 LEU N N 48 120.864 123.063 -2.199 1
1 594 . 14 1 1 A 49 49 HIS H H 49 8.974 9.384 -0.410 1
1 595 . 14 1 1 A 49 49 HIS HA H 49 5.181 5.260 -0.079 1
1 600 . 14 1 1 A 49 49 HIS C C 49 174.712 173.912 0.800 1
1 601 . 14 1 1 A 49 49 HIS CA C 49 57.916 55.093 2.823 1
1 602 . 14 1 1 A 49 49 HIS CB C 49 35.347 32.297 3.050 1
1 605 . 14 1 1 A 49 49 HIS N N 49 124.417 126.360 -1.943 1
1 606 . 14 1 1 A 50 50 TYR H H 50 7.348 7.804 -0.456 1
1 607 . 14 1 1 A 50 50 TYR HA H 50 5.909 5.435 0.474 1
1 614 . 14 1 1 A 50 50 TYR C C 50 174.239 172.288 1.951 1
1 615 . 14 1 1 A 50 50 TYR CA C 50 53.610 55.161 -1.551 1
1 616 . 14 1 1 A 50 50 TYR CB C 50 40.077 40.690 -0.613 1
1 621 . 14 1 1 A 50 50 TYR N N 50 114.323 117.695 -3.372 1
1 622 . 14 1 1 A 51 51 TYR H H 51 9.230 9.268 -0.038 1
1 623 . 14 1 1 A 51 51 TYR HA H 51 4.555 4.949 -0.394 1
1 630 . 14 1 1 A 51 51 TYR C C 51 175.572 174.962 0.610 1
1 631 . 14 1 1 A 51 51 TYR CA C 51 57.175 57.316 -0.141 1
1 632 . 14 1 1 A 51 51 TYR CB C 51 42.709 41.828 0.881 1
1 637 . 14 1 1 A 51 51 TYR N N 51 117.695 121.922 -4.227 1
1 638 . 14 1 1 A 52 52 ASP H H 52 9.390 8.666 0.724 1
1 639 . 14 1 1 A 52 52 ASP HA H 52 4.937 4.832 0.105 1
1 642 . 14 1 1 A 52 52 ASP CA C 52 52.057 52.164 -0.107 1
1 643 . 14 1 1 A 52 52 ASP CB C 52 42.197 41.796 0.401 1
1 644 . 14 1 1 A 52 52 ASP N N 52 123.964 122.890 1.074 1
1 645 . 14 1 1 A 53 53 PRO HA H 53 4.274 4.399 -0.125 1
1 652 . 14 1 1 A 53 53 PRO C C 53 176.360 178.603 -2.243 1
1 653 . 14 1 1 A 53 53 PRO CA C 53 64.728 65.862 -1.134 1
1 654 . 14 1 1 A 53 53 PRO CB C 53 32.016 31.873 0.143 1
1 657 . 14 1 1 A 54 54 ALA H H 54 8.384 8.362 0.022 1
1 658 . 14 1 1 A 54 54 ALA HA H 54 4.492 4.095 0.397 1
1 662 . 14 1 1 A 54 54 ALA C C 54 177.620 178.100 -0.480 1
1 663 . 14 1 1 A 54 54 ALA CA C 54 52.022 54.420 -2.398 1
1 664 . 14 1 1 A 54 54 ALA CB C 54 19.202 19.409 -0.207 1
1 665 . 14 1 1 A 54 54 ALA N N 54 120.140 119.358 0.782 1
1 666 . 14 1 1 A 55 55 GLY H H 55 7.710 7.172 0.538 1
1 667 . 14 1 1 A 55 55 GLY HA2 H 55 4.194 4.011 0.183 1
1 668 . 14 1 1 A 55 55 GLY HA3 H 55 3.833 4.011 -0.178 1
1 669 . 14 1 1 A 55 55 GLY C C 55 173.524 171.598 1.926 1
1 670 . 14 1 1 A 55 55 GLY CA C 55 45.421 45.656 -0.235 1
1 671 . 14 1 1 A 55 55 GLY N N 55 107.828 102.199 5.629 1
1 672 . 14 1 1 A 56 56 ALA H H 56 8.339 8.391 -0.052 1
1 673 . 14 1 1 A 56 56 ALA HA H 56 4.378 4.640 -0.262 1
1 677 . 14 1 1 A 56 56 ALA C C 56 177.741 176.257 1.484 1
1 678 . 14 1 1 A 56 56 ALA CA C 56 52.410 51.390 1.020 1
1 679 . 14 1 1 A 56 56 ALA CB C 56 19.843 20.495 -0.652 1
1 680 . 14 1 1 A 56 56 ALA N N 56 125.269 122.629 2.640 1
1 681 . 14 1 1 A 57 57 GLU H H 57 8.567 8.716 -0.149 1
1 682 . 14 1 1 A 57 57 GLU HA H 57 4.160 4.466 -0.306 1
1 687 . 14 1 1 A 57 57 GLU C C 57 176.335 176.107 0.228 1
1 688 . 14 1 1 A 57 57 GLU CA C 57 57.616 56.972 0.644 1
1 689 . 14 1 1 A 57 57 GLU CB C 57 30.083 31.398 -1.315 1
1 691 . 14 1 1 A 57 57 GLU N N 57 119.341 117.224 2.117 1
1 692 . 14 1 1 A 58 58 ASP H H 58 7.718 8.282 -0.564 1
1 693 . 14 1 1 A 58 58 ASP HA H 58 5.010 4.919 0.091 1
1 696 . 14 1 1 A 58 58 ASP C C 58 173.209 174.464 -1.255 1
1 697 . 14 1 1 A 58 58 ASP CA C 58 52.128 51.982 0.146 1
1 698 . 14 1 1 A 58 58 ASP CB C 58 40.981 40.690 0.291 1
1 699 . 14 1 1 A 58 58 ASP N N 58 118.499 119.289 -0.790 1
1 700 . 14 1 1 A 59 59 PRO HA H 59 3.493 4.286 -0.793 1
1 707 . 14 1 1 A 59 59 PRO C C 59 177.111 177.793 -0.682 1
1 708 . 14 1 1 A 59 59 PRO CA C 59 63.069 62.394 0.675 1
1 709 . 14 1 1 A 59 59 PRO CB C 59 31.229 31.374 -0.145 1
1 712 . 14 1 1 A 60 60 LEU H H 60 8.770 8.570 0.200 1
1 713 . 14 1 1 A 60 60 LEU HA H 60 4.114 3.896 0.218 1
1 723 . 14 1 1 A 60 60 LEU C C 60 177.268 176.437 0.831 1
1 724 . 14 1 1 A 60 60 LEU CA C 60 55.181 56.697 -1.516 1
1 725 . 14 1 1 A 60 60 LEU CB C 60 42.750 42.085 0.665 1
1 729 . 14 1 1 A 60 60 LEU N N 60 121.907 121.273 0.634 1
1 730 . 14 1 1 A 61 61 GLY H H 61 6.472 6.438 0.034 1
1 731 . 14 1 1 A 61 61 GLY HA2 H 61 3.798 3.869 -0.071 1
1 732 . 14 1 1 A 61 61 GLY HA3 H 61 3.382 3.927 -0.545 1
1 733 . 14 1 1 A 61 61 GLY C C 61 169.367 170.363 -0.996 1
1 734 . 14 1 1 A 61 61 GLY CA C 61 45.033 45.337 -0.304 1
1 735 . 14 1 1 A 61 61 GLY N N 61 103.740 103.743 -0.003 1
1 736 . 14 1 1 A 62 62 ALA H H 62 8.024 8.524 -0.500 1
1 737 . 14 1 1 A 62 62 ALA HA H 62 4.644 5.495 -0.851 1
1 741 . 14 1 1 A 62 62 ALA C C 62 176.226 175.421 0.805 1
1 742 . 14 1 1 A 62 62 ALA CA C 62 50.839 51.219 -0.380 1
1 743 . 14 1 1 A 62 62 ALA CB C 62 23.914 22.937 0.977 1
1 744 . 14 1 1 A 62 62 ALA N N 62 120.249 121.605 -1.356 1
1 745 . 14 1 1 A 63 63 ILE H H 63 8.810 8.645 0.165 1
1 746 . 14 1 1 A 63 63 ILE HA H 63 4.119 4.708 -0.589 1
1 756 . 14 1 1 A 63 63 ILE C C 63 174.724 175.579 -0.855 1
1 757 . 14 1 1 A 63 63 ILE CA C 63 60.757 60.515 0.242 1
1 758 . 14 1 1 A 63 63 ILE CB C 63 40.319 39.750 0.569 1
1 762 . 14 1 1 A 63 63 ILE N N 63 122.110 119.806 2.304 1
1 763 . 14 1 1 A 64 64 HIS H H 64 9.073 9.135 -0.062 1
1 764 . 14 1 1 A 64 64 HIS HA H 64 3.948 4.594 -0.646 1
1 769 . 14 1 1 A 64 64 HIS C C 64 176.529 175.814 0.715 1
1 770 . 14 1 1 A 64 64 HIS CA C 64 54.951 57.688 -2.737 1
1 771 . 14 1 1 A 64 64 HIS CB C 64 30.494 30.765 -0.271 1
1 774 . 14 1 1 A 64 64 HIS N N 64 129.092 128.156 0.936 1
1 775 . 14 1 1 A 65 65 LEU H H 65 7.770 8.338 -0.568 1
1 776 . 14 1 1 A 65 65 LEU HA H 65 4.074 4.530 -0.456 1
1 786 . 14 1 1 A 65 65 LEU C C 65 176.808 176.777 0.031 1
1 787 . 14 1 1 A 65 65 LEU CA C 65 54.951 54.215 0.736 1
1 788 . 14 1 1 A 65 65 LEU CB C 65 42.667 41.655 1.012 1
1 792 . 14 1 1 A 65 65 LEU N N 65 124.760 127.439 -2.679 1
1 793 . 14 1 1 A 66 66 ARG H H 66 6.515 6.807 -0.292 1
1 794 . 14 1 1 A 66 66 ARG HA H 66 4.085 3.963 0.122 1
1 801 . 14 1 1 A 66 66 ARG C C 66 178.638 176.499 2.139 1
1 802 . 14 1 1 A 66 66 ARG CA C 66 58.092 56.324 1.768 1
1 803 . 14 1 1 A 66 66 ARG CB C 66 29.525 28.714 0.811 1
1 806 . 14 1 1 A 66 66 ARG N N 66 120.462 119.762 0.700 1
1 807 . 14 1 1 A 67 67 GLY H H 67 9.300 8.559 0.741 1
1 808 . 14 1 1 A 67 67 GLY HA2 H 67 4.045 3.807 0.238 1
1 809 . 14 1 1 A 67 67 GLY HA3 H 67 3.826 3.819 0.007 1
1 810 . 14 1 1 A 67 67 GLY C C 67 173.996 174.557 -0.561 1
1 811 . 14 1 1 A 67 67 GLY CA C 67 46.162 46.126 0.036 1
1 812 . 14 1 1 A 67 67 GLY N N 67 118.040 113.598 4.442 1
1 813 . 14 1 1 A 68 68 CYS H H 68 7.789 7.996 -0.207 1
1 814 . 14 1 1 A 68 68 CYS HA H 68 4.779 4.478 0.301 1
1 817 . 14 1 1 A 68 68 CYS C C 68 173.148 173.810 -0.662 1
1 818 . 14 1 1 A 68 68 CYS CA C 68 57.545 59.184 -1.639 1
1 819 . 14 1 1 A 68 68 CYS CB C 68 28.644 28.873 -0.229 1
1 820 . 14 1 1 A 68 68 CYS N N 68 116.032 119.734 -3.702 1
1 821 . 14 1 1 A 69 69 VAL H H 69 8.665 9.539 -0.874 1
1 822 . 14 1 1 A 69 69 VAL HA H 69 4.364 4.854 -0.490 1
1 830 . 14 1 1 A 69 69 VAL C C 69 174.154 174.967 -0.813 1
1 831 . 14 1 1 A 69 69 VAL CA C 69 61.464 60.626 0.838 1
1 832 . 14 1 1 A 69 69 VAL CB C 69 35.041 35.394 -0.353 1
1 835 . 14 1 1 A 69 69 VAL N N 69 120.327 120.957 -0.630 1
1 836 . 14 1 1 A 70 70 VAL H H 70 8.656 8.617 0.039 1
1 837 . 14 1 1 A 70 70 VAL HA H 70 5.543 5.114 0.429 1
1 845 . 14 1 1 A 70 70 VAL C C 70 174.105 175.252 -1.147 1
1 846 . 14 1 1 A 70 70 VAL CA C 70 59.028 60.778 -1.750 1
1 847 . 14 1 1 A 70 70 VAL CB C 70 34.237 34.274 -0.037 1
1 850 . 14 1 1 A 70 70 VAL N N 70 124.719 125.818 -1.099 1
1 851 . 14 1 1 A 71 71 THR H H 71 8.883 8.825 0.058 1
1 852 . 14 1 1 A 71 71 THR HA H 71 4.724 4.775 -0.051 1
1 857 . 14 1 1 A 71 71 THR C C 71 173.087 172.042 1.045 1
1 858 . 14 1 1 A 71 71 THR CA C 71 59.875 60.557 -0.682 1
1 859 . 14 1 1 A 71 71 THR CB C 71 71.290 70.288 1.002 1
1 861 . 14 1 1 A 71 71 THR N N 71 120.107 120.396 -0.289 1
1 862 . 14 1 1 A 72 72 SER H H 72 8.706 8.731 -0.025 1
1 863 . 14 1 1 A 72 72 SER HA H 72 4.455 5.322 -0.867 1
1 866 . 14 1 1 A 72 72 SER C C 72 174.082 174.466 -0.384 1
1 867 . 14 1 1 A 72 72 SER CA C 72 59.204 57.120 2.084 1
1 868 . 14 1 1 A 72 72 SER CB C 72 63.476 66.237 -2.761 1
1 869 . 14 1 1 A 72 72 SER N N 72 120.128 119.446 0.682 1
1 870 . 14 1 1 A 73 73 VAL H H 73 7.825 8.171 -0.346 1
1 871 . 14 1 1 A 73 73 VAL HA H 73 4.302 4.640 -0.338 1
1 879 . 14 1 1 A 73 73 VAL C C 73 175.160 176.197 -1.037 1
1 880 . 14 1 1 A 73 73 VAL CA C 73 62.010 61.103 0.907 1
1 881 . 14 1 1 A 73 73 VAL CB C 73 33.579 32.664 0.915 1
1 884 . 14 1 1 A 73 73 VAL N N 73 125.377 119.299 6.078 1
1 885 . 14 1 1 A 74 74 GLU H H 74 8.706 8.551 0.155 1
1 886 . 14 1 1 A 74 74 GLU HA H 74 4.544 4.713 -0.169 1
1 891 . 14 1 1 A 74 74 GLU C C 74 176.420 176.374 0.046 1
1 892 . 14 1 1 A 74 74 GLU CA C 74 55.622 55.294 0.328 1
1 893 . 14 1 1 A 74 74 GLU CB C 74 30.741 29.077 1.664 1
1 895 . 14 1 1 A 74 74 GLU N N 74 126.564 120.350 6.214 1
1 896 . 14 1 1 A 75 75 SER H H 75 8.639 7.867 0.772 1
1 897 . 14 1 1 A 75 75 SER HA H 75 4.447 4.386 0.061 1
1 900 . 14 1 1 A 75 75 SER C C 75 174.299 174.658 -0.359 1
1 901 . 14 1 1 A 75 75 SER CA C 75 58.339 57.450 0.889 1
1 902 . 14 1 1 A 75 75 SER CB C 75 64.170 61.706 2.464 1
1 903 . 14 1 1 A 75 75 SER N N 75 117.961 116.666 1.295 1
1 904 . 14 1 1 A 76 76 ASN H H 76 8.672 9.098 -0.426 1
1 905 . 14 1 1 A 76 76 ASN HA H 76 4.795 4.778 0.017 1
1 910 . 14 1 1 A 76 76 ASN C C 76 175.584 175.077 0.507 1
1 911 . 14 1 1 A 76 76 ASN CA C 76 53.292 55.190 -1.898 1
1 912 . 14 1 1 A 76 76 ASN CB C 76 39.089 39.260 -0.171 1
1 913 . 14 1 1 A 76 76 ASN N N 76 121.138 126.877 -5.739 1
1 915 . 14 1 1 A 78 78 ASN HA H 78 4.635 4.996 -0.361 1
1 920 . 14 1 1 A 78 78 ASN C C 78 175.681 175.220 0.461 1
1 921 . 14 1 1 A 78 78 ASN CA C 78 53.610 53.066 0.544 1
1 922 . 14 1 1 A 78 78 ASN CB C 78 38.496 40.818 -2.322 1
1 924 . 14 1 1 A 79 79 GLY H H 79 8.356 8.969 -0.613 1
1 925 . 14 1 1 A 79 79 GLY HA2 H 79 3.821 3.845 -0.024 1
1 926 . 14 1 1 A 79 79 GLY HA3 H 79 4.011 3.848 0.163 1
1 927 . 14 1 1 A 79 79 GLY C C 79 174.154 174.631 -0.477 1
1 928 . 14 1 1 A 79 79 GLY CA C 79 45.563 47.435 -1.872 1
1 929 . 14 1 1 A 79 79 GLY N N 79 108.284 115.068 -6.784 1
1 930 . 14 1 1 A 80 80 ARG H H 80 7.919 8.419 -0.500 1
1 931 . 14 1 1 A 80 80 ARG HA H 80 4.344 4.596 -0.252 1
1 938 . 14 1 1 A 80 80 ARG C C 80 176.117 177.471 -1.354 1
1 939 . 14 1 1 A 80 80 ARG CA C 80 55.905 57.260 -1.355 1
1 940 . 14 1 1 A 80 80 ARG CB C 80 30.782 32.345 -1.563 1
1 943 . 14 1 1 A 80 80 ARG N N 80 120.470 124.407 -3.937 1
1 944 . 14 1 1 A 81 81 LYS H H 81 8.427 8.502 -0.075 1
1 945 . 14 1 1 A 81 81 LYS HA H 81 4.350 4.090 0.260 1
1 954 . 14 1 1 A 81 81 LYS C C 81 176.808 176.994 -0.186 1
1 955 . 14 1 1 A 81 81 LYS CA C 81 56.416 58.907 -2.491 1
1 956 . 14 1 1 A 81 81 LYS CB C 81 32.797 32.865 -0.068 1
1 960 . 14 1 1 A 81 81 LYS N N 81 122.963 120.521 2.442 1
1 961 . 14 1 1 A 82 82 SER H H 82 8.440 7.703 0.737 1
1 962 . 14 1 1 A 82 82 SER HA H 82 4.380 4.609 -0.229 1
1 965 . 14 1 1 A 82 82 SER C C 82 174.833 173.399 1.434 1
1 966 . 14 1 1 A 82 82 SER CA C 82 58.763 57.665 1.098 1
1 967 . 14 1 1 A 82 82 SER CB C 82 63.723 64.545 -0.822 1
1 968 . 14 1 1 A 82 82 SER N N 82 118.053 110.622 7.431 1
1 969 . 14 1 1 A 83 83 GLU H H 83 8.648 8.909 -0.261 1
1 970 . 14 1 1 A 83 83 GLU HA H 83 4.233 4.564 -0.331 1
1 975 . 14 1 1 A 83 83 GLU C C 83 176.311 176.175 0.136 1
1 976 . 14 1 1 A 83 83 GLU CA C 83 57.104 57.571 -0.467 1
1 977 . 14 1 1 A 83 83 GLU CB C 83 29.795 31.596 -1.801 1
1 979 . 14 1 1 A 83 83 GLU N N 83 121.793 125.472 -3.679 1
1 980 . 14 1 1 A 84 84 GLU H H 84 8.088 7.759 0.329 1
1 981 . 14 1 1 A 84 84 GLU HA H 84 4.161 4.366 -0.205 1
1 986 . 14 1 1 A 84 84 GLU C C 84 175.523 175.510 0.013 1
1 987 . 14 1 1 A 84 84 GLU CA C 84 56.275 54.827 1.448 1
1 988 . 14 1 1 A 84 84 GLU CB C 84 30.165 32.157 -1.992 1
1 990 . 14 1 1 A 84 84 GLU N N 84 119.385 117.713 1.672 1
1 991 . 14 1 1 A 85 85 GLU H H 85 7.907 8.288 -0.381 1
1 992 . 14 1 1 A 85 85 GLU HA H 85 4.350 4.500 -0.150 1
1 997 . 14 1 1 A 85 85 GLU C C 85 175.002 175.989 -0.987 1
1 998 . 14 1 1 A 85 85 GLU CA C 85 55.569 55.510 0.059 1
1 999 . 14 1 1 A 85 85 GLU CB C 85 32.098 30.961 1.137 1
1 1001 . 14 1 1 A 85 85 GLU N N 85 120.414 123.947 -3.533 1
1 1002 . 14 1 1 A 86 86 ASN H H 86 8.569 8.473 0.096 1
1 1003 . 14 1 1 A 86 86 ASN HA H 86 4.225 5.066 -0.841 1
1 1008 . 14 1 1 A 86 86 ASN C C 86 175.147 174.846 0.301 1
1 1009 . 14 1 1 A 86 86 ASN CA C 86 54.068 53.328 0.740 1
1 1010 . 14 1 1 A 86 86 ASN CB C 86 38.185 39.261 -1.076 1
1 1011 . 14 1 1 A 86 86 ASN N N 86 114.602 118.688 -4.086 1
1 1013 . 14 1 1 A 87 87 LEU H H 87 8.483 8.819 -0.336 1
1 1014 . 14 1 1 A 87 87 LEU HA H 87 5.186 5.269 -0.083 1
1 1024 . 14 1 1 A 87 87 LEU C C 87 178.480 175.379 3.101 1
1 1025 . 14 1 1 A 87 87 LEU CA C 87 55.128 53.265 1.863 1
1 1026 . 14 1 1 A 87 87 LEU CB C 87 44.559 46.278 -1.719 1
1 1030 . 14 1 1 A 87 87 LEU N N 87 121.334 124.758 -3.424 1
1 1031 . 14 1 1 A 88 88 PHE H H 88 9.512 8.135 1.377 1
1 1032 . 14 1 1 A 88 88 PHE HA H 88 5.156 5.136 0.020 1
1 1040 . 14 1 1 A 88 88 PHE C C 88 170.288 172.267 -1.979 1
1 1041 . 14 1 1 A 88 88 PHE CA C 88 56.787 55.697 1.090 1
1 1042 . 14 1 1 A 88 88 PHE CB C 88 41.763 41.846 -0.083 1
1 1048 . 14 1 1 A 88 88 PHE N N 88 119.324 117.338 1.986 1
1 1049 . 14 1 1 A 89 89 GLU H H 89 9.028 8.979 0.049 1
1 1050 . 14 1 1 A 89 89 GLU HA H 89 5.293 5.272 0.021 1
1 1055 . 14 1 1 A 89 89 GLU C C 89 175.245 175.249 -0.004 1
1 1056 . 14 1 1 A 89 89 GLU CA C 89 53.433 55.436 -2.003 1
1 1057 . 14 1 1 A 89 89 GLU CB C 89 34.566 31.844 2.722 1
1 1059 . 14 1 1 A 89 89 GLU N N 89 121.829 120.418 1.411 1
1 1060 . 14 1 1 A 90 90 ILE H H 90 8.655 8.398 0.257 1
1 1061 . 14 1 1 A 90 90 ILE HA H 90 4.793 4.622 0.171 1
1 1071 . 14 1 1 A 90 90 ILE C C 90 174.808 174.980 -0.172 1
1 1072 . 14 1 1 A 90 90 ILE CA C 90 59.857 60.608 -0.751 1
1 1073 . 14 1 1 A 90 90 ILE CB C 90 41.886 40.474 1.412 1
1 1077 . 14 1 1 A 90 90 ILE N N 90 123.446 125.946 -2.500 1
1 1078 . 14 1 1 A 91 91 ILE H H 91 9.199 8.798 0.401 1
1 1079 . 14 1 1 A 91 91 ILE HA H 91 4.724 4.817 -0.093 1
1 1089 . 14 1 1 A 91 91 ILE C C 91 177.898 176.001 1.897 1
1 1090 . 14 1 1 A 91 91 ILE CA C 91 60.211 60.723 -0.512 1
1 1091 . 14 1 1 A 91 91 ILE CB C 91 39.043 38.318 0.725 1
1 1095 . 14 1 1 A 91 91 ILE N N 91 126.827 128.981 -2.154 1
1 1096 . 14 1 1 A 92 92 THR H H 92 9.086 8.046 1.040 1
1 1097 . 14 1 1 A 92 92 THR HA H 92 4.314 4.801 -0.487 1
1 1102 . 14 1 1 A 92 92 THR C C 92 176.857 175.966 0.891 1
1 1103 . 14 1 1 A 92 92 THR CA C 92 61.693 59.849 1.844 1
1 1104 . 14 1 1 A 92 92 THR CB C 92 70.920 72.100 -1.180 1
1 1106 . 14 1 1 A 92 92 THR N N 92 117.131 116.994 0.137 1
1 1107 . 14 1 1 A 93 93 ALA H H 93 9.192 8.916 0.276 1
1 1108 . 14 1 1 A 93 93 ALA HA H 93 4.101 4.120 -0.019 1
1 1112 . 14 1 1 A 93 93 ALA C C 93 178.008 177.951 0.057 1
1 1113 . 14 1 1 A 93 93 ALA CA C 93 54.634 54.366 0.268 1
1 1114 . 14 1 1 A 93 93 ALA CB C 93 18.198 18.346 -0.148 1
1 1115 . 14 1 1 A 93 93 ALA N N 93 123.540 123.945 -0.405 1
1 1116 . 14 1 1 A 94 94 ASP H H 94 7.979 7.859 0.120 1
1 1117 . 14 1 1 A 94 94 ASP HA H 94 4.724 4.768 -0.044 1
1 1120 . 14 1 1 A 94 94 ASP C C 94 174.324 175.835 -1.511 1
1 1121 . 14 1 1 A 94 94 ASP CA C 94 53.098 53.786 -0.688 1
1 1122 . 14 1 1 A 94 94 ASP CB C 94 39.336 41.055 -1.719 1
1 1123 . 14 1 1 A 94 94 ASP N N 94 113.209 117.454 -4.245 1
1 1124 . 14 1 1 A 95 95 GLU H H 95 8.152 8.526 -0.374 1
1 1125 . 14 1 1 A 95 95 GLU HA H 95 3.430 3.830 -0.400 1
1 1130 . 14 1 1 A 95 95 GLU C C 95 174.578 175.581 -1.003 1
1 1131 . 14 1 1 A 95 95 GLU CA C 95 57.687 58.023 -0.336 1
1 1132 . 14 1 1 A 95 95 GLU CB C 95 26.300 27.486 -1.186 1
1 1134 . 14 1 1 A 95 95 GLU N N 95 114.010 116.825 -2.815 1
1 1135 . 14 1 1 A 96 96 VAL H H 96 7.595 7.382 0.213 1
1 1136 . 14 1 1 A 96 96 VAL HA H 96 4.063 3.960 0.103 1
1 1144 . 14 1 1 A 96 96 VAL C C 96 175.293 175.037 0.256 1
1 1145 . 14 1 1 A 96 96 VAL CA C 96 62.751 63.103 -0.352 1
1 1146 . 14 1 1 A 96 96 VAL CB C 96 31.440 31.601 -0.161 1
1 1149 . 14 1 1 A 96 96 VAL N N 96 120.925 120.490 0.435 1
1 1150 . 14 1 1 A 97 97 HIS H H 97 8.603 9.167 -0.564 1
1 1151 . 14 1 1 A 97 97 HIS HA H 97 5.234 5.191 0.043 1
1 1156 . 14 1 1 A 97 97 HIS C C 97 174.348 173.458 0.890 1
1 1157 . 14 1 1 A 97 97 HIS CA C 97 54.404 54.032 0.372 1
1 1158 . 14 1 1 A 97 97 HIS CB C 97 30.536 32.076 -1.540 1
1 1161 . 14 1 1 A 97 97 HIS N N 97 124.160 126.798 -2.638 1
1 1162 . 14 1 1 A 98 98 TYR H H 98 9.267 8.825 0.442 1
1 1163 . 14 1 1 A 98 98 TYR HA H 98 4.532 4.715 -0.183 1
1 1170 . 14 1 1 A 98 98 TYR C C 98 173.621 174.509 -0.888 1
1 1171 . 14 1 1 A 98 98 TYR CA C 98 57.122 56.361 0.761 1
1 1172 . 14 1 1 A 98 98 TYR CB C 98 41.228 42.670 -1.442 1
1 1177 . 14 1 1 A 98 98 TYR N N 98 121.543 119.895 1.648 1
1 1178 . 14 1 1 A 99 99 PHE H H 99 8.861 8.922 -0.061 1
1 1179 . 14 1 1 A 99 99 PHE HA H 99 4.983 5.152 -0.169 1
1 1186 . 14 1 1 A 99 99 PHE C C 99 173.754 174.610 -0.856 1
1 1187 . 14 1 1 A 99 99 PHE CA C 99 57.705 56.518 1.187 1
1 1188 . 14 1 1 A 99 99 PHE CB C 99 41.516 40.112 1.404 1
1 1193 . 14 1 1 A 99 99 PHE N N 99 121.699 122.292 -0.593 1
1 1194 . 14 1 1 A 100 100 LEU H H 100 8.529 8.295 0.234 1
1 1195 . 14 1 1 A 100 100 LEU HA H 100 5.345 5.343 0.002 1
1 1205 . 14 1 1 A 100 100 LEU C C 100 174.942 174.678 0.264 1
1 1206 . 14 1 1 A 100 100 LEU CA C 100 52.781 52.590 0.191 1
1 1207 . 14 1 1 A 100 100 LEU CB C 100 44.518 44.175 0.343 1
1 1211 . 14 1 1 A 100 100 LEU N N 100 123.519 124.633 -1.114 1
1 1212 . 14 1 1 A 101 101 GLN H H 101 8.717 8.877 -0.160 1
1 1213 . 14 1 1 A 101 101 GLN HA H 101 4.886 4.956 -0.070 1
1 1220 . 14 1 1 A 101 101 GLN C C 101 175.390 174.591 0.799 1
1 1221 . 14 1 1 A 101 101 GLN CA C 101 54.934 54.195 0.739 1
1 1222 . 14 1 1 A 101 101 GLN CB C 101 32.222 30.832 1.390 1
1 1224 . 14 1 1 A 101 101 GLN N N 101 117.786 124.391 -6.605 1
1 1226 . 14 1 1 A 102 102 ALA H H 102 8.256 8.778 -0.522 1
1 1227 . 14 1 1 A 102 102 ALA HA H 102 4.862 4.638 0.224 1
1 1231 . 14 1 1 A 102 102 ALA C C 102 176.008 178.006 -1.998 1
1 1232 . 14 1 1 A 102 102 ALA CA C 102 50.098 51.181 -1.083 1
1 1233 . 14 1 1 A 102 102 ALA CB C 102 21.606 20.407 1.199 1
1 1234 . 14 1 1 A 102 102 ALA N N 102 128.068 129.900 -1.832 1
1 1235 . 14 1 1 A 103 103 ALA H H 103 9.255 8.841 0.414 1
1 1236 . 14 1 1 A 103 103 ALA HA H 103 4.247 4.067 0.180 1
1 1240 . 14 1 1 A 103 103 ALA C C 103 178.153 177.845 0.308 1
1 1241 . 14 1 1 A 103 103 ALA CA C 103 54.369 55.810 -1.441 1
1 1242 . 14 1 1 A 103 103 ALA CB C 103 20.377 18.771 1.606 1
1 1243 . 14 1 1 A 103 103 ALA N N 103 120.410 124.746 -4.336 1
1 1244 . 14 1 1 A 104 104 THR H H 104 7.149 7.865 -0.716 1
1 1245 . 14 1 1 A 104 104 THR HA H 104 4.846 4.689 0.157 1
1 1250 . 14 1 1 A 104 104 THR C C 104 173.354 174.176 -0.822 1
1 1251 . 14 1 1 A 104 104 THR CA C 104 57.810 59.665 -1.855 1
1 1252 . 14 1 1 A 104 104 THR CB C 104 71.496 69.808 1.688 1
1 1254 . 14 1 1 A 104 104 THR N N 104 103.106 109.310 -6.204 1
1 1255 . 14 1 1 A 105 105 PRO HA H 105 4.225 4.614 -0.389 1
1 1262 . 14 1 1 A 105 105 PRO C C 105 179.704 177.918 1.786 1
1 1263 . 14 1 1 A 105 105 PRO CA C 105 65.046 64.176 0.870 1
1 1264 . 14 1 1 A 105 105 PRO CB C 105 31.775 31.768 0.007 1
1 1267 . 14 1 1 A 106 106 LYS H H 106 7.764 7.977 -0.213 1
1 1268 . 14 1 1 A 106 106 LYS HA H 106 4.036 4.115 -0.079 1
1 1277 . 14 1 1 A 106 106 LYS C C 106 177.959 178.706 -0.747 1
1 1278 . 14 1 1 A 106 106 LYS CA C 106 59.452 59.062 0.390 1
1 1279 . 14 1 1 A 106 106 LYS CB C 106 32.797 32.161 0.636 1
1 1283 . 14 1 1 A 106 106 LYS N N 106 119.261 118.435 0.826 1
1 1284 . 14 1 1 A 107 107 GLU H H 107 8.005 7.716 0.289 1
1 1285 . 14 1 1 A 107 107 GLU HA H 107 4.171 4.179 -0.008 1
1 1290 . 14 1 1 A 107 107 GLU C C 107 178.529 178.823 -0.294 1
1 1291 . 14 1 1 A 107 107 GLU CA C 107 59.310 59.162 0.148 1
1 1292 . 14 1 1 A 107 107 GLU CB C 107 31.111 29.370 1.741 1
1 1294 . 14 1 1 A 107 107 GLU N N 107 119.293 119.440 -0.147 1
1 1295 . 14 1 1 A 108 108 ARG H H 108 7.810 7.487 0.323 1
1 1296 . 14 1 1 A 108 108 ARG HA H 108 3.603 4.379 -0.776 1
1 1303 . 14 1 1 A 108 108 ARG C C 108 176.287 179.159 -2.872 1
1 1304 . 14 1 1 A 108 108 ARG CA C 108 60.598 59.244 1.354 1
1 1305 . 14 1 1 A 108 108 ARG CB C 108 29.548 29.974 -0.426 1
1 1308 . 14 1 1 A 108 108 ARG N N 108 118.989 120.758 -1.769 1
1 1309 . 14 1 1 A 109 109 THR H H 109 8.195 8.289 -0.094 1
1 1310 . 14 1 1 A 109 109 THR HA H 109 3.645 3.784 -0.139 1
1 1315 . 14 1 1 A 109 109 THR C C 109 176.227 176.689 -0.462 1
1 1316 . 14 1 1 A 109 109 THR CA C 109 67.022 67.568 -0.546 1
1 1317 . 14 1 1 A 109 109 THR CB C 109 68.576 68.058 0.518 1
1 1319 . 14 1 1 A 109 109 THR N N 109 115.975 116.694 -0.719 1
1 1320 . 14 1 1 A 110 110 GLU H H 110 8.274 8.002 0.272 1
1 1321 . 14 1 1 A 110 110 GLU HA H 110 3.794 3.939 -0.145 1
1 1326 . 14 1 1 A 110 110 GLU C C 110 180.516 179.346 1.170 1
1 1327 . 14 1 1 A 110 110 GLU CA C 110 59.534 59.643 -0.109 1
1 1328 . 14 1 1 A 110 110 GLU CB C 110 29.507 29.133 0.374 1
1 1330 . 14 1 1 A 110 110 GLU N N 110 119.565 119.911 -0.346 1
1 1331 . 14 1 1 A 111 111 TRP H H 111 8.316 8.690 -0.374 1
1 1332 . 14 1 1 A 111 111 TRP HA H 111 3.912 4.364 -0.452 1
1 1341 . 14 1 1 A 111 111 TRP C C 111 178.020 178.551 -0.531 1
1 1342 . 14 1 1 A 111 111 TRP CA C 111 62.464 60.279 2.185 1
1 1343 . 14 1 1 A 111 111 TRP CB C 111 29.548 29.522 0.026 1
1 1349 . 14 1 1 A 111 111 TRP N N 111 120.868 120.870 -0.002 1
1 1351 . 14 1 1 A 112 112 ILE H H 112 8.271 7.833 0.438 1
1 1352 . 14 1 1 A 112 112 ILE HA H 112 3.254 3.491 -0.237 1
1 1362 . 14 1 1 A 112 112 ILE C C 112 177.669 177.961 -0.292 1
1 1363 . 14 1 1 A 112 112 ILE CA C 112 67.040 64.901 2.139 1
1 1364 . 14 1 1 A 112 112 ILE CB C 112 37.856 37.612 0.244 1
1 1368 . 14 1 1 A 112 112 ILE N N 112 118.862 119.580 -0.718 1
1 1369 . 14 1 1 A 113 113 LYS H H 113 8.042 8.263 -0.221 1
1 1370 . 14 1 1 A 113 113 LYS HA H 113 3.991 3.994 -0.003 1
1 1379 . 14 1 1 A 113 113 LYS C C 113 178.977 179.179 -0.202 1
1 1380 . 14 1 1 A 113 113 LYS CA C 113 59.328 59.126 0.202 1
1 1381 . 14 1 1 A 113 113 LYS CB C 113 32.345 32.203 0.142 1
1 1385 . 14 1 1 A 113 113 LYS N N 113 117.182 119.740 -2.558 1
1 1386 . 14 1 1 A 114 114 ALA H H 114 7.686 8.688 -1.002 1
1 1387 . 14 1 1 A 114 114 ALA HA H 114 4.058 3.987 0.071 1
1 1391 . 14 1 1 A 114 114 ALA C C 114 179.849 179.773 0.076 1
1 1392 . 14 1 1 A 114 114 ALA CA C 114 55.146 55.019 0.127 1
1 1393 . 14 1 1 A 114 114 ALA CB C 114 18.362 18.530 -0.168 1
1 1394 . 14 1 1 A 114 114 ALA N N 114 120.689 121.920 -1.231 1
1 1395 . 14 1 1 A 115 115 ILE H H 115 8.594 9.111 -0.517 1
1 1396 . 14 1 1 A 115 115 ILE HA H 115 3.534 3.676 -0.142 1
1 1406 . 14 1 1 A 115 115 ILE C C 115 178.432 178.506 -0.074 1
1 1407 . 14 1 1 A 115 115 ILE CA C 115 66.016 64.677 1.339 1
1 1408 . 14 1 1 A 115 115 ILE CB C 115 38.390 37.224 1.166 1
1 1412 . 14 1 1 A 115 115 ILE N N 115 118.898 117.548 1.350 1
1 1413 . 14 1 1 A 116 116 GLN H H 116 8.732 8.350 0.382 1
1 1414 . 14 1 1 A 116 116 GLN HA H 116 3.851 3.985 -0.134 1
1 1421 . 14 1 1 A 116 116 GLN C C 116 179.655 178.380 1.275 1
1 1422 . 14 1 1 A 116 116 GLN CA C 116 59.575 58.839 0.736 1
1 1423 . 14 1 1 A 116 116 GLN CB C 116 28.222 28.687 -0.465 1
1 1425 . 14 1 1 A 116 116 GLN N N 116 119.877 119.546 0.331 1
1 1427 . 14 1 1 A 117 117 MET H H 117 8.279 8.389 -0.110 1
1 1428 . 14 1 1 A 117 117 MET HA H 117 4.155 4.071 0.084 1
1 1436 . 14 1 1 A 117 117 MET C C 117 179.123 178.367 0.756 1
1 1437 . 14 1 1 A 117 117 MET CA C 117 58.658 58.471 0.187 1
1 1438 . 14 1 1 A 117 117 MET CB C 117 31.934 32.717 -0.783 1
1 1441 . 14 1 1 A 117 117 MET N N 117 118.855 118.990 -0.135 1
1 1442 . 14 1 1 A 118 118 ALA H H 118 8.266 7.631 0.635 1
1 1443 . 14 1 1 A 118 118 ALA HA H 118 4.240 4.058 0.182 1
1 1447 . 14 1 1 A 118 118 ALA C C 118 178.820 179.609 -0.789 1
1 1448 . 14 1 1 A 118 118 ALA CA C 118 54.604 55.254 -0.650 1
1 1449 . 14 1 1 A 118 118 ALA CB C 118 18.627 18.795 -0.168 1
1 1450 . 14 1 1 A 118 118 ALA N N 118 121.702 122.587 -0.885 1
1 1451 . 14 1 1 A 119 119 SER H H 119 8.073 8.314 -0.241 1
1 1452 . 14 1 1 A 119 119 SER HA H 119 4.027 4.066 -0.039 1
1 1455 . 14 1 1 A 119 119 SER C C 119 174.663 177.217 -2.554 1
1 1456 . 14 1 1 A 119 119 SER CA C 119 60.122 61.066 -0.944 1
1 1457 . 14 1 1 A 119 119 SER CB C 119 64.299 63.013 1.286 1
1 1458 . 14 1 1 A 119 119 SER N N 119 110.080 113.093 -3.013 1
1 1459 . 14 1 1 A 120 120 ARG H H 120 7.345 8.726 -1.381 1
1 1460 . 14 1 1 A 120 120 ARG HA H 120 4.383 4.188 0.195 1
1 1467 . 14 1 1 A 120 120 ARG C C 120 176.372 176.933 -0.561 1
1 1468 . 14 1 1 A 120 120 ARG CA C 120 56.681 59.367 -2.686 1
1 1469 . 14 1 1 A 120 120 ARG CB C 120 30.248 29.725 0.523 1
1 1472 . 14 1 1 A 120 120 ARG N N 120 120.244 119.459 0.785 1
1 1473 . 14 1 1 A 121 121 THR H H 121 8.070 7.636 0.434 1
1 1474 . 14 1 1 A 121 121 THR HA H 121 4.365 4.150 0.215 1
1 1479 . 14 1 1 A 121 121 THR C C 121 175.281 174.213 1.068 1
1 1480 . 14 1 1 A 121 121 THR CA C 121 62.557 62.603 -0.046 1
1 1481 . 14 1 1 A 121 121 THR CB C 121 70.298 69.362 0.936 1
1 1483 . 14 1 1 A 121 121 THR N N 121 114.024 114.510 -0.486 1
1 1484 . 14 1 1 A 122 122 GLY H H 122 8.520 8.589 -0.069 1
1 1485 . 14 1 1 A 122 122 GLY HA2 H 122 4.005 4.191 -0.186 1
1 1486 . 14 1 1 A 122 122 GLY HA3 H 122 4.005 4.198 -0.193 1
1 1487 . 14 1 1 A 122 122 GLY C C 122 174.118 173.591 0.527 1
1 1488 . 14 1 1 A 122 122 GLY CA C 122 45.351 44.678 0.673 1
1 1489 . 14 1 1 A 122 122 GLY N N 122 111.123 114.192 -3.069 1
1 1490 . 14 1 1 A 123 123 LYS H H 123 8.309 8.667 -0.358 1
1 1491 . 14 1 1 A 123 123 LYS HA H 123 4.364 4.190 0.174 1
1 1500 . 14 1 1 A 123 123 LYS C C 123 176.772 175.631 1.141 1
1 1501 . 14 1 1 A 123 123 LYS CA C 123 56.310 57.426 -1.116 1
1 1502 . 14 1 1 A 123 123 LYS CB C 123 33.167 32.902 0.265 1
1 1506 . 14 1 1 A 123 123 LYS N N 123 121.100 126.532 -5.432 1
1 1507 . 14 1 1 A 124 124 SER H H 124 8.453 8.857 -0.404 1
1 1508 . 14 1 1 A 124 124 SER HA H 124 4.489 4.836 -0.347 1
1 1509 . 14 1 1 A 124 124 SER C C 124 174.518 174.718 -0.200 1
1 1510 . 14 1 1 A 124 124 SER CA C 124 58.357 58.188 0.169 1
1 1511 . 14 1 1 A 124 124 SER CB C 124 64.052 63.265 0.787 1
1 1512 . 14 1 1 A 124 124 SER N N 124 117.316 124.774 -7.458 1
1 1513 . 14 1 1 A 125 125 GLY H H 125 8.278 8.755 -0.477 1
1 1514 . 14 1 1 A 125 125 GLY HA2 H 125 4.154 4.094 0.060 1
1 1515 . 14 1 1 A 125 125 GLY HA3 H 125 4.102 4.097 0.005 1
1 1516 . 14 1 1 A 125 125 GLY C C 125 171.827 174.815 -2.988 1
1 1517 . 14 1 1 A 125 125 GLY CA C 125 44.680 44.119 0.561 1
1 1518 . 14 1 1 A 125 125 GLY N N 125 110.670 113.475 -2.805 1
1 1519 . 14 1 1 A 126 126 PRO HA H 126 4.461 4.377 0.084 1
1 1526 . 14 1 1 A 126 126 PRO C C 126 177.426 176.913 0.513 1
1 1527 . 14 1 1 A 126 126 PRO CA C 126 63.281 64.703 -1.422 1
1 1528 . 14 1 1 A 126 126 PRO CB C 126 32.263 31.721 0.542 1
1 1531 . 14 1 1 A 127 127 SER H H 127 8.556 8.081 0.475 1
1 1532 . 14 1 1 A 127 127 SER HA H 127 4.489 4.479 0.010 1
1 1535 . 14 1 1 A 127 127 SER C C 127 174.651 172.763 1.888 1
1 1536 . 14 1 1 A 127 127 SER CA C 127 58.410 59.619 -1.209 1
1 1537 . 14 1 1 A 127 127 SER CB C 127 63.682 62.182 1.500 1
1 1538 . 14 1 1 A 127 127 SER N N 127 116.423 113.324 3.099 1
1 1539 . 14 1 1 A 128 128 SER H H 128 8.313 9.140 -0.827 1
1 1540 . 14 1 1 A 128 128 SER HA H 128 4.489 4.911 -0.422 1
1 1543 . 14 1 1 A 128 128 SER C C 128 173.936 173.820 0.116 1
1 1544 . 14 1 1 A 128 128 SER CA C 128 58.393 57.138 1.255 1
1 1545 . 14 1 1 A 128 128 SER CB C 128 64.052 64.785 -0.733 1
1 1546 . 14 1 1 A 128 128 SER N N 128 117.750 119.934 -2.184 1
1 1 . 15 1 1 A 6 6 SER HA H 6 4.475 4.433 0.042 1
1 4 . 15 1 1 A 6 6 SER C C 6 174.978 175.359 -0.381 1
1 5 . 15 1 1 A 6 6 SER CA C 6 58.657 58.235 0.422 1
1 6 . 15 1 1 A 6 6 SER CB C 6 63.682 64.444 -0.762 1
1 7 . 15 1 1 A 7 7 GLY H H 7 8.385 7.537 0.848 1
1 8 . 15 1 1 A 7 7 GLY HA2 H 7 3.947 4.011 -0.064 1
1 9 . 15 1 1 A 7 7 GLY HA3 H 7 3.947 4.016 -0.069 1
1 10 . 15 1 1 A 7 7 GLY C C 7 173.900 174.262 -0.362 1
1 11 . 15 1 1 A 7 7 GLY CA C 7 45.280 45.294 -0.014 1
1 12 . 15 1 1 A 7 7 GLY N N 7 110.753 109.395 1.358 1
1 13 . 15 1 1 A 8 8 VAL H H 8 7.896 8.543 -0.647 1
1 14 . 15 1 1 A 8 8 VAL HA H 8 4.046 4.229 -0.183 1
1 22 . 15 1 1 A 8 8 VAL C C 8 175.948 175.414 0.534 1
1 23 . 15 1 1 A 8 8 VAL CA C 8 62.399 63.995 -1.596 1
1 24 . 15 1 1 A 8 8 VAL CB C 8 32.904 30.606 2.298 1
1 27 . 15 1 1 A 8 8 VAL N N 8 119.771 112.596 7.175 1
1 28 . 15 1 1 A 9 9 ILE H H 9 8.253 8.609 -0.356 1
1 29 . 15 1 1 A 9 9 ILE HA H 9 4.103 4.061 0.042 1
1 39 . 15 1 1 A 9 9 ILE C C 9 175.984 174.251 1.733 1
1 40 . 15 1 1 A 9 9 ILE CA C 9 60.657 63.308 -2.651 1
1 41 . 15 1 1 A 9 9 ILE CB C 9 38.349 36.891 1.458 1
1 45 . 15 1 1 A 9 9 ILE N N 9 125.791 120.713 5.078 1
1 46 . 15 1 1 A 10 10 LEU H H 10 8.374 8.398 -0.024 1
1 47 . 15 1 1 A 10 10 LEU HA H 10 4.379 5.026 -0.647 1
1 57 . 15 1 1 A 10 10 LEU C C 10 177.171 175.869 1.302 1
1 58 . 15 1 1 A 10 10 LEU CA C 10 54.598 54.002 0.596 1
1 59 . 15 1 1 A 10 10 LEU CB C 10 42.873 44.503 -1.630 1
1 63 . 15 1 1 A 10 10 LEU N N 10 127.929 126.176 1.753 1
1 64 . 15 1 1 A 11 11 LYS H H 11 8.414 8.976 -0.562 1
1 65 . 15 1 1 A 11 11 LYS HA H 11 4.214 4.586 -0.372 1
1 74 . 15 1 1 A 11 11 LYS C C 11 177.244 177.860 -0.616 1
1 75 . 15 1 1 A 11 11 LYS CA C 11 57.051 55.363 1.688 1
1 76 . 15 1 1 A 11 11 LYS CB C 11 33.332 33.717 -0.385 1
1 80 . 15 1 1 A 11 11 LYS N N 11 123.211 127.156 -3.945 1
1 81 . 15 1 1 A 12 12 GLU H H 12 8.629 8.549 0.080 1
1 82 . 15 1 1 A 12 12 GLU HA H 12 3.745 4.147 -0.402 1
1 87 . 15 1 1 A 12 12 GLU C C 12 177.366 178.890 -1.524 1
1 88 . 15 1 1 A 12 12 GLU CA C 12 59.663 58.853 0.810 1
1 89 . 15 1 1 A 12 12 GLU CB C 12 29.672 30.098 -0.426 1
1 91 . 15 1 1 A 12 12 GLU N N 12 122.998 121.136 1.862 1
1 92 . 15 1 1 A 13 13 GLU H H 13 8.043 8.579 -0.536 1
1 93 . 15 1 1 A 13 13 GLU HA H 13 3.333 4.076 -0.743 1
1 98 . 15 1 1 A 13 13 GLU C C 13 175.451 177.022 -1.571 1
1 99 . 15 1 1 A 13 13 GLU CA C 13 57.634 58.371 -0.737 1
1 100 . 15 1 1 A 13 13 GLU CB C 13 28.567 28.137 0.430 1
1 102 . 15 1 1 A 13 13 GLU N N 13 113.498 118.474 -4.976 1
1 103 . 15 1 1 A 14 14 PHE H H 14 7.483 7.711 -0.228 1
1 104 . 15 1 1 A 14 14 PHE HA H 14 4.650 4.669 -0.019 1
1 112 . 15 1 1 A 14 14 PHE C C 14 175.657 174.828 0.829 1
1 113 . 15 1 1 A 14 14 PHE CA C 14 56.187 57.011 -0.824 1
1 114 . 15 1 1 A 14 14 PHE CB C 14 39.665 38.414 1.251 1
1 120 . 15 1 1 A 14 14 PHE N N 14 115.879 117.989 -2.110 1
1 121 . 15 1 1 A 15 15 ARG H H 15 7.757 8.018 -0.261 1
1 122 . 15 1 1 A 15 15 ARG HA H 15 4.154 4.656 -0.502 1
1 129 . 15 1 1 A 15 15 ARG C C 15 177.353 175.713 1.640 1
1 130 . 15 1 1 A 15 15 ARG CA C 15 58.092 54.987 3.105 1
1 131 . 15 1 1 A 15 15 ARG CB C 15 31.193 32.311 -1.118 1
1 134 . 15 1 1 A 15 15 ARG N N 15 118.945 117.890 1.055 1
1 135 . 15 1 1 A 16 16 GLY H H 16 8.812 8.578 0.234 1
1 136 . 15 1 1 A 16 16 GLY HA2 H 16 4.194 4.119 0.075 1
1 137 . 15 1 1 A 16 16 GLY HA3 H 16 3.824 4.140 -0.316 1
1 138 . 15 1 1 A 16 16 GLY C C 16 173.427 173.543 -0.116 1
1 139 . 15 1 1 A 16 16 GLY CA C 16 45.157 44.883 0.274 1
1 140 . 15 1 1 A 16 16 GLY N N 16 109.133 108.609 0.524 1
1 141 . 15 1 1 A 17 17 VAL H H 17 8.308 8.017 0.291 1
1 142 . 15 1 1 A 17 17 VAL HA H 17 4.060 4.494 -0.434 1
1 150 . 15 1 1 A 17 17 VAL C C 17 176.469 175.297 1.172 1
1 151 . 15 1 1 A 17 17 VAL CA C 17 62.098 61.108 0.990 1
1 152 . 15 1 1 A 17 17 VAL CB C 17 33.414 33.644 -0.230 1
1 155 . 15 1 1 A 17 17 VAL N N 17 120.815 116.085 4.730 1
1 156 . 15 1 1 A 18 18 ILE H H 18 8.547 8.623 -0.076 1
1 157 . 15 1 1 A 18 18 ILE HA H 18 4.186 4.853 -0.667 1
1 167 . 15 1 1 A 18 18 ILE C C 18 177.208 176.603 0.605 1
1 168 . 15 1 1 A 18 18 ILE CA C 18 63.175 59.945 3.230 1
1 169 . 15 1 1 A 18 18 ILE CB C 18 38.596 40.468 -1.872 1
1 173 . 15 1 1 A 18 18 ILE N N 18 125.006 121.255 3.751 1
1 174 . 15 1 1 A 19 19 ILE H H 19 9.127 8.716 0.411 1
1 175 . 15 1 1 A 19 19 ILE HA H 19 4.461 4.527 -0.066 1
1 185 . 15 1 1 A 19 19 ILE C C 19 176.081 175.898 0.183 1
1 186 . 15 1 1 A 19 19 ILE CA C 19 60.298 61.196 -0.898 1
1 187 . 15 1 1 A 19 19 ILE CB C 19 39.665 39.666 -0.001 1
1 191 . 15 1 1 A 19 19 ILE N N 19 124.358 120.641 3.717 1
1 192 . 15 1 1 A 20 20 LYS H H 20 7.620 7.629 -0.009 1
1 193 . 15 1 1 A 20 20 LYS HA H 20 4.325 4.615 -0.290 1
1 202 . 15 1 1 A 20 20 LYS C C 20 172.760 174.251 -1.491 1
1 203 . 15 1 1 A 20 20 LYS CA C 20 57.298 55.832 1.466 1
1 204 . 15 1 1 A 20 20 LYS CB C 20 36.458 35.975 0.483 1
1 208 . 15 1 1 A 20 20 LYS N N 20 121.749 121.269 0.480 1
1 209 . 15 1 1 A 21 21 GLN H H 21 8.572 8.560 0.012 1
1 210 . 15 1 1 A 21 21 GLN HA H 21 5.927 5.366 0.561 1
1 217 . 15 1 1 A 21 21 GLN C C 21 175.124 174.781 0.343 1
1 218 . 15 1 1 A 21 21 GLN CA C 21 54.227 54.537 -0.310 1
1 219 . 15 1 1 A 21 21 GLN CB C 21 33.369 33.086 0.283 1
1 221 . 15 1 1 A 21 21 GLN N N 21 121.653 124.196 -2.543 1
1 223 . 15 1 1 A 22 22 GLY H H 22 9.178 8.637 0.541 1
1 224 . 15 1 1 A 22 22 GLY HA2 H 22 4.904 4.342 0.562 1
1 225 . 15 1 1 A 22 22 GLY HA3 H 22 4.447 4.432 0.015 1
1 226 . 15 1 1 A 22 22 GLY C C 22 172.300 172.341 -0.041 1
1 227 . 15 1 1 A 22 22 GLY CA C 22 45.650 45.803 -0.153 1
1 228 . 15 1 1 A 22 22 GLY N N 22 108.544 108.416 0.128 1
1 229 . 15 1 1 A 23 23 CYS H H 23 9.262 8.783 0.479 1
1 230 . 15 1 1 A 23 23 CYS HA H 23 5.904 5.848 0.056 1
1 233 . 15 1 1 A 23 23 CYS C C 23 175.293 173.482 1.811 1
1 234 . 15 1 1 A 23 23 CYS CA C 23 59.222 56.652 2.570 1
1 235 . 15 1 1 A 23 23 CYS CB C 23 29.260 31.061 -1.801 1
1 236 . 15 1 1 A 23 23 CYS N N 23 118.575 117.642 0.933 1
1 237 . 15 1 1 A 24 24 LEU H H 24 9.131 9.803 -0.672 1
1 238 . 15 1 1 A 24 24 LEU HA H 24 4.627 4.872 -0.245 1
1 248 . 15 1 1 A 24 24 LEU C C 24 175.354 175.568 -0.214 1
1 249 . 15 1 1 A 24 24 LEU CA C 24 53.963 53.685 0.278 1
1 250 . 15 1 1 A 24 24 LEU CB C 24 47.315 45.947 1.368 1
1 254 . 15 1 1 A 24 24 LEU N N 24 122.880 123.277 -0.397 1
1 255 . 15 1 1 A 25 25 LEU H H 25 7.968 9.003 -1.035 1
1 256 . 15 1 1 A 25 25 LEU HA H 25 5.056 5.169 -0.113 1
1 266 . 15 1 1 A 25 25 LEU C C 25 175.766 175.254 0.512 1
1 267 . 15 1 1 A 25 25 LEU CA C 25 54.810 54.219 0.591 1
1 268 . 15 1 1 A 25 25 LEU CB C 25 44.065 42.219 1.846 1
1 272 . 15 1 1 A 25 25 LEU N N 25 119.755 123.145 -3.390 1
1 273 . 15 1 1 A 26 26 LYS H H 26 9.307 8.579 0.728 1
1 274 . 15 1 1 A 26 26 LYS HA H 26 5.166 4.899 0.267 1
1 283 . 15 1 1 A 26 26 LYS C C 26 175.778 175.552 0.226 1
1 284 . 15 1 1 A 26 26 LYS CA C 26 54.687 55.593 -0.906 1
1 285 . 15 1 1 A 26 26 LYS CB C 26 37.033 33.863 3.170 1
1 289 . 15 1 1 A 26 26 LYS N N 26 122.635 126.395 -3.760 1
1 290 . 15 1 1 A 27 27 GLN H H 27 8.228 8.409 -0.181 1
1 291 . 15 1 1 A 27 27 GLN HA H 27 3.839 4.395 -0.556 1
1 298 . 15 1 1 A 27 27 GLN C C 27 176.869 175.857 1.012 1
1 299 . 15 1 1 A 27 27 GLN CA C 27 55.922 56.008 -0.086 1
1 300 . 15 1 1 A 27 27 GLN CB C 27 29.589 29.066 0.523 1
1 302 . 15 1 1 A 27 27 GLN N N 27 132.145 126.028 6.117 1
1 304 . 15 1 1 A 28 28 GLY H H 28 8.434 8.449 -0.015 1
1 305 . 15 1 1 A 28 28 GLY HA2 H 28 4.144 4.198 -0.054 1
1 306 . 15 1 1 A 28 28 GLY HA3 H 28 3.999 4.221 -0.222 1
1 307 . 15 1 1 A 28 28 GLY CA C 28 45.457 45.631 -0.174 1
1 308 . 15 1 1 A 28 28 GLY N N 28 114.691 109.802 4.889 1
1 309 . 15 1 1 A 29 29 HIS HA H 29 4.352 4.857 -0.505 1
1 314 . 15 1 1 A 29 29 HIS CA C 29 58.505 56.061 2.444 1
1 315 . 15 1 1 A 29 29 HIS CB C 29 30.967 31.693 -0.726 1
1 318 . 15 1 1 A 30 30 ARG HA H 30 4.114 3.917 0.197 1
1 325 . 15 1 1 A 30 30 ARG CA C 30 56.429 59.380 -2.951 1
1 326 . 15 1 1 A 30 30 ARG CB C 30 29.591 30.199 -0.608 1
1 329 . 15 1 1 A 31 31 ARG HA H 31 3.774 4.168 -0.394 1
1 336 . 15 1 1 A 31 31 ARG C C 31 175.536 177.261 -1.725 1
1 337 . 15 1 1 A 31 31 ARG CA C 31 55.922 57.012 -1.090 1
1 338 . 15 1 1 A 31 31 ARG CB C 31 29.302 30.905 -1.603 1
1 341 . 15 1 1 A 32 32 LYS H H 32 8.011 8.742 -0.731 1
1 342 . 15 1 1 A 32 32 LYS HA H 32 4.164 4.045 0.119 1
1 351 . 15 1 1 A 32 32 LYS C C 32 175.741 177.593 -1.852 1
1 352 . 15 1 1 A 32 32 LYS CA C 32 56.239 59.545 -3.306 1
1 353 . 15 1 1 A 32 32 LYS CB C 32 32.016 32.762 -0.746 1
1 357 . 15 1 1 A 32 32 LYS N N 32 117.463 122.959 -5.496 1
1 358 . 15 1 1 A 33 33 ASN H H 33 7.870 8.059 -0.189 1
1 359 . 15 1 1 A 33 33 ASN HA H 33 4.807 4.848 -0.041 1
1 364 . 15 1 1 A 33 33 ASN C C 33 173.681 175.815 -2.134 1
1 365 . 15 1 1 A 33 33 ASN CA C 33 52.551 52.778 -0.227 1
1 366 . 15 1 1 A 33 33 ASN CB C 33 39.830 39.291 0.539 1
1 367 . 15 1 1 A 33 33 ASN N N 33 117.522 117.593 -0.071 1
1 369 . 15 1 1 A 34 34 TRP H H 34 8.704 8.980 -0.276 1
1 370 . 15 1 1 A 34 34 TRP HA H 34 4.807 5.000 -0.193 1
1 379 . 15 1 1 A 34 34 TRP C C 34 176.129 176.277 -0.148 1
1 380 . 15 1 1 A 34 34 TRP CA C 34 56.540 57.258 -0.718 1
1 381 . 15 1 1 A 34 34 TRP CB C 34 31.399 30.570 0.829 1
1 387 . 15 1 1 A 34 34 TRP N N 34 121.620 122.062 -0.442 1
1 389 . 15 1 1 A 35 35 LYS H H 35 8.457 8.937 -0.480 1
1 390 . 15 1 1 A 35 35 LYS HA H 35 4.876 4.946 -0.070 1
1 399 . 15 1 1 A 35 35 LYS C C 35 176.081 176.011 0.070 1
1 400 . 15 1 1 A 35 35 LYS CA C 35 54.298 55.128 -0.830 1
1 401 . 15 1 1 A 35 35 LYS CB C 35 36.498 35.892 0.606 1
1 405 . 15 1 1 A 35 35 LYS N N 35 120.816 119.013 1.803 1
1 406 . 15 1 1 A 36 36 VAL H H 36 8.974 8.877 0.097 1
1 407 . 15 1 1 A 36 36 VAL HA H 36 4.254 4.418 -0.164 1
1 415 . 15 1 1 A 36 36 VAL C C 36 176.808 175.781 1.027 1
1 416 . 15 1 1 A 36 36 VAL CA C 36 63.828 63.194 0.634 1
1 417 . 15 1 1 A 36 36 VAL CB C 36 31.687 32.328 -0.641 1
1 420 . 15 1 1 A 36 36 VAL N N 36 123.825 125.277 -1.452 1
1 421 . 15 1 1 A 37 37 ARG H H 37 9.327 8.706 0.621 1
1 422 . 15 1 1 A 37 37 ARG HA H 37 4.930 4.795 0.135 1
1 427 . 15 1 1 A 37 37 ARG C C 37 173.815 174.578 -0.763 1
1 428 . 15 1 1 A 37 37 ARG CA C 37 54.351 55.112 -0.761 1
1 429 . 15 1 1 A 37 37 ARG CB C 37 34.709 34.425 0.284 1
1 432 . 15 1 1 A 37 37 ARG N N 37 128.926 125.773 3.153 1
1 433 . 15 1 1 A 38 38 LYS H H 38 8.714 8.726 -0.012 1
1 434 . 15 1 1 A 38 38 LYS HA H 38 4.959 4.878 0.081 1
1 443 . 15 1 1 A 38 38 LYS C C 38 175.075 175.111 -0.036 1
1 444 . 15 1 1 A 38 38 LYS CA C 38 55.869 56.300 -0.431 1
1 445 . 15 1 1 A 38 38 LYS CB C 38 34.072 33.876 0.196 1
1 449 . 15 1 1 A 38 38 LYS N N 38 121.669 123.576 -1.907 1
1 450 . 15 1 1 A 39 39 PHE H H 39 9.751 9.898 -0.147 1
1 451 . 15 1 1 A 39 39 PHE HA H 39 5.591 5.164 0.427 1
1 459 . 15 1 1 A 39 39 PHE C C 39 175.414 174.707 0.707 1
1 460 . 15 1 1 A 39 39 PHE CA C 39 57.474 56.724 0.750 1
1 461 . 15 1 1 A 39 39 PHE CB C 39 42.667 41.337 1.330 1
1 467 . 15 1 1 A 39 39 PHE N N 39 127.216 124.277 2.939 1
1 468 . 15 1 1 A 40 40 ILE H H 40 9.246 10.639 -1.393 1
1 469 . 15 1 1 A 40 40 ILE HA H 40 4.864 5.209 -0.345 1
1 479 . 15 1 1 A 40 40 ILE C C 40 174.724 174.339 0.385 1
1 480 . 15 1 1 A 40 40 ILE CA C 40 62.134 60.056 2.078 1
1 481 . 15 1 1 A 40 40 ILE CB C 40 41.022 39.968 1.054 1
1 485 . 15 1 1 A 40 40 ILE N N 40 119.337 123.973 -4.636 1
1 486 . 15 1 1 A 41 41 LEU H H 41 9.549 9.229 0.320 1
1 487 . 15 1 1 A 41 41 LEU HA H 41 5.485 5.336 0.149 1
1 497 . 15 1 1 A 41 41 LEU C C 41 174.457 175.262 -0.805 1
1 498 . 15 1 1 A 41 41 LEU CA C 41 54.004 53.762 0.242 1
1 499 . 15 1 1 A 41 41 LEU CB C 41 45.299 45.364 -0.065 1
1 503 . 15 1 1 A 41 41 LEU N N 41 132.451 130.923 1.528 1
1 504 . 15 1 1 A 42 42 ARG H H 42 9.383 9.214 0.169 1
1 505 . 15 1 1 A 42 42 ARG HA H 42 5.492 5.289 0.203 1
1 513 . 15 1 1 A 42 42 ARG C C 42 174.893 175.327 -0.434 1
1 514 . 15 1 1 A 42 42 ARG CA C 42 54.421 54.670 -0.249 1
1 515 . 15 1 1 A 42 42 ARG CB C 42 35.470 33.636 1.834 1
1 518 . 15 1 1 A 42 42 ARG N N 42 128.467 124.814 3.653 1
1 520 . 15 1 1 A 43 43 GLU H H 43 8.259 8.678 -0.419 1
1 521 . 15 1 1 A 43 43 GLU HA H 43 4.366 4.775 -0.409 1
1 526 . 15 1 1 A 43 43 GLU C C 43 174.893 175.907 -1.014 1
1 527 . 15 1 1 A 43 43 GLU CA C 43 54.898 55.597 -0.699 1
1 528 . 15 1 1 A 43 43 GLU CB C 43 33.102 31.085 2.017 1
1 530 . 15 1 1 A 43 43 GLU N N 43 115.434 120.467 -5.033 1
1 531 . 15 1 1 A 44 44 ASP H H 44 7.870 9.030 -1.160 1
1 532 . 15 1 1 A 44 44 ASP HA H 44 4.433 4.250 0.183 1
1 535 . 15 1 1 A 44 44 ASP C C 44 172.991 174.243 -1.252 1
1 536 . 15 1 1 A 44 44 ASP CA C 44 53.892 54.928 -1.036 1
1 537 . 15 1 1 A 44 44 ASP CB C 44 41.146 39.587 1.559 1
1 538 . 15 1 1 A 44 44 ASP N N 44 114.444 120.327 -5.883 1
1 539 . 15 1 1 A 45 45 PRO HA H 45 4.710 4.556 0.154 1
1 546 . 15 1 1 A 45 45 PRO C C 45 176.747 175.723 1.024 1
1 547 . 15 1 1 A 45 45 PRO CA C 45 63.246 62.595 0.651 1
1 548 . 15 1 1 A 45 45 PRO CB C 45 34.977 32.626 2.351 1
1 551 . 15 1 1 A 46 46 ALA H H 46 8.356 8.161 0.195 1
1 552 . 15 1 1 A 46 46 ALA HA H 46 5.049 4.781 0.268 1
1 556 . 15 1 1 A 46 46 ALA C C 46 175.499 176.028 -0.529 1
1 557 . 15 1 1 A 46 46 ALA CA C 46 51.545 50.887 0.658 1
1 558 . 15 1 1 A 46 46 ALA CB C 46 19.655 19.360 0.295 1
1 559 . 15 1 1 A 46 46 ALA N N 46 122.969 123.847 -0.878 1
1 560 . 15 1 1 A 47 47 TYR H H 47 8.047 9.249 -1.202 1
1 561 . 15 1 1 A 47 47 TYR HA H 47 5.097 5.143 -0.046 1
1 568 . 15 1 1 A 47 47 TYR C C 47 173.730 174.456 -0.726 1
1 569 . 15 1 1 A 47 47 TYR CA C 47 57.563 56.366 1.197 1
1 570 . 15 1 1 A 47 47 TYR CB C 47 45.711 43.503 2.208 1
1 575 . 15 1 1 A 47 47 TYR N N 47 126.550 120.944 5.606 1
1 576 . 15 1 1 A 48 48 LEU H H 48 8.776 8.850 -0.074 1
1 577 . 15 1 1 A 48 48 LEU HA H 48 5.578 5.304 0.274 1
1 587 . 15 1 1 A 48 48 LEU C C 48 175.039 174.770 0.269 1
1 588 . 15 1 1 A 48 48 LEU CA C 48 53.134 53.936 -0.802 1
1 589 . 15 1 1 A 48 48 LEU CB C 48 46.369 45.206 1.163 1
1 593 . 15 1 1 A 48 48 LEU N N 48 120.864 122.852 -1.988 1
1 594 . 15 1 1 A 49 49 HIS H H 49 8.974 9.309 -0.335 1
1 595 . 15 1 1 A 49 49 HIS HA H 49 5.181 5.045 0.136 1
1 600 . 15 1 1 A 49 49 HIS C C 49 174.712 173.920 0.792 1
1 601 . 15 1 1 A 49 49 HIS CA C 49 57.916 54.170 3.746 1
1 602 . 15 1 1 A 49 49 HIS CB C 49 35.347 32.051 3.296 1
1 605 . 15 1 1 A 49 49 HIS N N 49 124.417 126.251 -1.834 1
1 606 . 15 1 1 A 50 50 TYR H H 50 7.348 7.731 -0.383 1
1 607 . 15 1 1 A 50 50 TYR HA H 50 5.909 5.640 0.269 1
1 614 . 15 1 1 A 50 50 TYR C C 50 174.239 172.858 1.381 1
1 615 . 15 1 1 A 50 50 TYR CA C 50 53.610 54.923 -1.313 1
1 616 . 15 1 1 A 50 50 TYR CB C 50 40.077 40.825 -0.748 1
1 621 . 15 1 1 A 50 50 TYR N N 50 114.323 118.616 -4.293 1
1 622 . 15 1 1 A 51 51 TYR H H 51 9.230 9.290 -0.060 1
1 623 . 15 1 1 A 51 51 TYR HA H 51 4.555 4.963 -0.408 1
1 630 . 15 1 1 A 51 51 TYR C C 51 175.572 174.826 0.746 1
1 631 . 15 1 1 A 51 51 TYR CA C 51 57.175 56.710 0.465 1
1 632 . 15 1 1 A 51 51 TYR CB C 51 42.709 41.653 1.056 1
1 637 . 15 1 1 A 51 51 TYR N N 51 117.695 121.707 -4.012 1
1 638 . 15 1 1 A 52 52 ASP H H 52 9.390 8.644 0.746 1
1 639 . 15 1 1 A 52 52 ASP HA H 52 4.937 4.828 0.109 1
1 642 . 15 1 1 A 52 52 ASP CA C 52 52.057 52.220 -0.163 1
1 643 . 15 1 1 A 52 52 ASP CB C 52 42.197 41.408 0.789 1
1 644 . 15 1 1 A 52 52 ASP N N 52 123.964 123.005 0.959 1
1 645 . 15 1 1 A 53 53 PRO HA H 53 4.274 4.429 -0.155 1
1 652 . 15 1 1 A 53 53 PRO C C 53 176.360 178.258 -1.898 1
1 653 . 15 1 1 A 53 53 PRO CA C 53 64.728 65.335 -0.607 1
1 654 . 15 1 1 A 53 53 PRO CB C 53 32.016 31.975 0.041 1
1 657 . 15 1 1 A 54 54 ALA H H 54 8.384 8.178 0.206 1
1 658 . 15 1 1 A 54 54 ALA HA H 54 4.492 4.132 0.360 1
1 662 . 15 1 1 A 54 54 ALA C C 54 177.620 177.531 0.089 1
1 663 . 15 1 1 A 54 54 ALA CA C 54 52.022 53.233 -1.211 1
1 664 . 15 1 1 A 54 54 ALA CB C 54 19.202 19.663 -0.461 1
1 665 . 15 1 1 A 54 54 ALA N N 54 120.140 119.211 0.929 1
1 666 . 15 1 1 A 55 55 GLY H H 55 7.710 8.080 -0.370 1
1 667 . 15 1 1 A 55 55 GLY HA2 H 55 4.194 4.021 0.173 1
1 668 . 15 1 1 A 55 55 GLY HA3 H 55 3.833 4.022 -0.189 1
1 669 . 15 1 1 A 55 55 GLY C C 55 173.524 173.332 0.192 1
1 670 . 15 1 1 A 55 55 GLY CA C 55 45.421 45.161 0.260 1
1 671 . 15 1 1 A 55 55 GLY N N 55 107.828 103.502 4.326 1
1 672 . 15 1 1 A 56 56 ALA H H 56 8.339 8.363 -0.024 1
1 673 . 15 1 1 A 56 56 ALA HA H 56 4.378 4.462 -0.084 1
1 677 . 15 1 1 A 56 56 ALA C C 56 177.741 178.463 -0.722 1
1 678 . 15 1 1 A 56 56 ALA CA C 56 52.410 52.800 -0.390 1
1 679 . 15 1 1 A 56 56 ALA CB C 56 19.843 20.940 -1.097 1
1 680 . 15 1 1 A 56 56 ALA N N 56 125.269 120.802 4.467 1
1 681 . 15 1 1 A 57 57 GLU H H 57 8.567 8.236 0.331 1
1 682 . 15 1 1 A 57 57 GLU HA H 57 4.160 3.886 0.274 1
1 687 . 15 1 1 A 57 57 GLU C C 57 176.335 175.221 1.114 1
1 688 . 15 1 1 A 57 57 GLU CA C 57 57.616 59.371 -1.755 1
1 689 . 15 1 1 A 57 57 GLU CB C 57 30.083 27.878 2.205 1
1 691 . 15 1 1 A 57 57 GLU N N 57 119.341 114.730 4.611 1
1 692 . 15 1 1 A 58 58 ASP H H 58 7.718 8.257 -0.539 1
1 693 . 15 1 1 A 58 58 ASP HA H 58 5.010 4.776 0.234 1
1 696 . 15 1 1 A 58 58 ASP C C 58 173.209 175.476 -2.267 1
1 697 . 15 1 1 A 58 58 ASP CA C 58 52.128 52.790 -0.662 1
1 698 . 15 1 1 A 58 58 ASP CB C 58 40.981 40.850 0.131 1
1 699 . 15 1 1 A 58 58 ASP N N 58 118.499 119.277 -0.778 1
1 700 . 15 1 1 A 59 59 PRO HA H 59 3.493 4.157 -0.664 1
1 707 . 15 1 1 A 59 59 PRO C C 59 177.111 177.808 -0.697 1
1 708 . 15 1 1 A 59 59 PRO CA C 59 63.069 62.391 0.678 1
1 709 . 15 1 1 A 59 59 PRO CB C 59 31.229 31.668 -0.439 1
1 712 . 15 1 1 A 60 60 LEU H H 60 8.770 8.647 0.123 1
1 713 . 15 1 1 A 60 60 LEU HA H 60 4.114 3.941 0.173 1
1 723 . 15 1 1 A 60 60 LEU C C 60 177.268 176.561 0.707 1
1 724 . 15 1 1 A 60 60 LEU CA C 60 55.181 56.633 -1.452 1
1 725 . 15 1 1 A 60 60 LEU CB C 60 42.750 42.388 0.362 1
1 729 . 15 1 1 A 60 60 LEU N N 60 121.907 120.679 1.228 1
1 730 . 15 1 1 A 61 61 GLY H H 61 6.472 6.363 0.109 1
1 731 . 15 1 1 A 61 61 GLY HA2 H 61 3.798 3.824 -0.026 1
1 732 . 15 1 1 A 61 61 GLY HA3 H 61 3.382 3.860 -0.478 1
1 733 . 15 1 1 A 61 61 GLY C C 61 169.367 170.740 -1.373 1
1 734 . 15 1 1 A 61 61 GLY CA C 61 45.033 45.067 -0.034 1
1 735 . 15 1 1 A 61 61 GLY N N 61 103.740 103.794 -0.054 1
1 736 . 15 1 1 A 62 62 ALA H H 62 8.024 8.160 -0.136 1
1 737 . 15 1 1 A 62 62 ALA HA H 62 4.644 5.113 -0.469 1
1 741 . 15 1 1 A 62 62 ALA C C 62 176.226 175.672 0.554 1
1 742 . 15 1 1 A 62 62 ALA CA C 62 50.839 49.988 0.851 1
1 743 . 15 1 1 A 62 62 ALA CB C 62 23.914 22.459 1.455 1
1 744 . 15 1 1 A 62 62 ALA N N 62 120.249 121.514 -1.265 1
1 745 . 15 1 1 A 63 63 ILE H H 63 8.810 8.528 0.282 1
1 746 . 15 1 1 A 63 63 ILE HA H 63 4.119 4.695 -0.576 1
1 756 . 15 1 1 A 63 63 ILE C C 63 174.724 175.428 -0.704 1
1 757 . 15 1 1 A 63 63 ILE CA C 63 60.757 60.343 0.414 1
1 758 . 15 1 1 A 63 63 ILE CB C 63 40.319 40.620 -0.301 1
1 762 . 15 1 1 A 63 63 ILE N N 63 122.110 119.073 3.037 1
1 763 . 15 1 1 A 64 64 HIS H H 64 9.073 9.101 -0.028 1
1 764 . 15 1 1 A 64 64 HIS HA H 64 3.948 4.408 -0.460 1
1 769 . 15 1 1 A 64 64 HIS C C 64 176.529 175.156 1.373 1
1 770 . 15 1 1 A 64 64 HIS CA C 64 54.951 57.631 -2.680 1
1 771 . 15 1 1 A 64 64 HIS CB C 64 30.494 30.615 -0.121 1
1 774 . 15 1 1 A 64 64 HIS N N 64 129.092 127.979 1.113 1
1 775 . 15 1 1 A 65 65 LEU H H 65 7.770 7.524 0.246 1
1 776 . 15 1 1 A 65 65 LEU HA H 65 4.074 4.211 -0.137 1
1 786 . 15 1 1 A 65 65 LEU C C 65 176.808 177.851 -1.043 1
1 787 . 15 1 1 A 65 65 LEU CA C 65 54.951 55.087 -0.136 1
1 788 . 15 1 1 A 65 65 LEU CB C 65 42.667 42.715 -0.048 1
1 792 . 15 1 1 A 65 65 LEU N N 65 124.760 127.921 -3.161 1
1 793 . 15 1 1 A 66 66 ARG H H 66 6.515 7.393 -0.878 1
1 794 . 15 1 1 A 66 66 ARG HA H 66 4.085 3.780 0.305 1
1 801 . 15 1 1 A 66 66 ARG C C 66 178.638 177.588 1.050 1
1 802 . 15 1 1 A 66 66 ARG CA C 66 58.092 58.758 -0.666 1
1 803 . 15 1 1 A 66 66 ARG CB C 66 29.525 29.579 -0.054 1
1 806 . 15 1 1 A 66 66 ARG N N 66 120.462 118.172 2.290 1
1 807 . 15 1 1 A 67 67 GLY H H 67 9.300 7.759 1.541 1
1 808 . 15 1 1 A 67 67 GLY HA2 H 67 4.045 4.031 0.014 1
1 809 . 15 1 1 A 67 67 GLY HA3 H 67 3.826 4.083 -0.257 1
1 810 . 15 1 1 A 67 67 GLY C C 67 173.996 173.953 0.043 1
1 811 . 15 1 1 A 67 67 GLY CA C 67 46.162 45.996 0.166 1
1 812 . 15 1 1 A 67 67 GLY N N 67 118.040 106.556 11.484 1
1 813 . 15 1 1 A 68 68 CYS H H 68 7.789 7.900 -0.111 1
1 814 . 15 1 1 A 68 68 CYS HA H 68 4.779 5.208 -0.429 1
1 817 . 15 1 1 A 68 68 CYS C C 68 173.148 173.388 -0.240 1
1 818 . 15 1 1 A 68 68 CYS CA C 68 57.545 56.542 1.003 1
1 819 . 15 1 1 A 68 68 CYS CB C 68 28.644 30.191 -1.547 1
1 820 . 15 1 1 A 68 68 CYS N N 68 116.032 117.755 -1.723 1
1 821 . 15 1 1 A 69 69 VAL H H 69 8.665 9.826 -1.161 1
1 822 . 15 1 1 A 69 69 VAL HA H 69 4.364 4.846 -0.482 1
1 830 . 15 1 1 A 69 69 VAL C C 69 174.154 174.505 -0.351 1
1 831 . 15 1 1 A 69 69 VAL CA C 69 61.464 60.650 0.814 1
1 832 . 15 1 1 A 69 69 VAL CB C 69 35.041 35.922 -0.881 1
1 835 . 15 1 1 A 69 69 VAL N N 69 120.327 120.081 0.246 1
1 836 . 15 1 1 A 70 70 VAL H H 70 8.656 8.626 0.030 1
1 837 . 15 1 1 A 70 70 VAL HA H 70 5.543 4.822 0.721 1
1 845 . 15 1 1 A 70 70 VAL C C 70 174.105 175.263 -1.158 1
1 846 . 15 1 1 A 70 70 VAL CA C 70 59.028 61.102 -2.074 1
1 847 . 15 1 1 A 70 70 VAL CB C 70 34.237 33.509 0.728 1
1 850 . 15 1 1 A 70 70 VAL N N 70 124.719 126.237 -1.518 1
1 851 . 15 1 1 A 71 71 THR H H 71 8.883 8.579 0.304 1
1 852 . 15 1 1 A 71 71 THR HA H 71 4.724 4.778 -0.054 1
1 857 . 15 1 1 A 71 71 THR C C 71 173.087 172.215 0.872 1
1 858 . 15 1 1 A 71 71 THR CA C 71 59.875 60.557 -0.682 1
1 859 . 15 1 1 A 71 71 THR CB C 71 71.290 70.206 1.084 1
1 861 . 15 1 1 A 71 71 THR N N 71 120.107 120.283 -0.176 1
1 862 . 15 1 1 A 72 72 SER H H 72 8.706 8.808 -0.102 1
1 863 . 15 1 1 A 72 72 SER HA H 72 4.455 5.275 -0.820 1
1 866 . 15 1 1 A 72 72 SER C C 72 174.082 174.363 -0.281 1
1 867 . 15 1 1 A 72 72 SER CA C 72 59.204 57.316 1.888 1
1 868 . 15 1 1 A 72 72 SER CB C 72 63.476 65.523 -2.047 1
1 869 . 15 1 1 A 72 72 SER N N 72 120.128 119.604 0.524 1
1 870 . 15 1 1 A 73 73 VAL H H 73 7.825 8.757 -0.932 1
1 871 . 15 1 1 A 73 73 VAL HA H 73 4.302 4.440 -0.138 1
1 879 . 15 1 1 A 73 73 VAL C C 73 175.160 175.784 -0.624 1
1 880 . 15 1 1 A 73 73 VAL CA C 73 62.010 61.715 0.295 1
1 881 . 15 1 1 A 73 73 VAL CB C 73 33.579 32.908 0.671 1
1 884 . 15 1 1 A 73 73 VAL N N 73 125.377 122.158 3.219 1
1 885 . 15 1 1 A 74 74 GLU H H 74 8.706 8.791 -0.085 1
1 886 . 15 1 1 A 74 74 GLU HA H 74 4.544 4.514 0.030 1
1 891 . 15 1 1 A 74 74 GLU C C 74 176.420 176.169 0.251 1
1 892 . 15 1 1 A 74 74 GLU CA C 74 55.622 57.755 -2.133 1
1 893 . 15 1 1 A 74 74 GLU CB C 74 30.741 32.697 -1.956 1
1 895 . 15 1 1 A 74 74 GLU N N 74 126.564 121.670 4.894 1
1 896 . 15 1 1 A 75 75 SER H H 75 8.639 8.087 0.552 1
1 897 . 15 1 1 A 75 75 SER HA H 75 4.447 4.495 -0.048 1
1 900 . 15 1 1 A 75 75 SER C C 75 174.299 173.178 1.121 1
1 901 . 15 1 1 A 75 75 SER CA C 75 58.339 58.233 0.106 1
1 902 . 15 1 1 A 75 75 SER CB C 75 64.170 63.223 0.947 1
1 903 . 15 1 1 A 75 75 SER N N 75 117.961 114.544 3.417 1
1 904 . 15 1 1 A 76 76 ASN H H 76 8.672 8.541 0.131 1
1 905 . 15 1 1 A 76 76 ASN HA H 76 4.795 4.889 -0.094 1
1 910 . 15 1 1 A 76 76 ASN C C 76 175.584 176.906 -1.322 1
1 911 . 15 1 1 A 76 76 ASN CA C 76 53.292 53.264 0.028 1
1 912 . 15 1 1 A 76 76 ASN CB C 76 39.089 39.404 -0.315 1
1 913 . 15 1 1 A 76 76 ASN N N 76 121.138 121.237 -0.099 1
1 915 . 15 1 1 A 78 78 ASN HA H 78 4.635 4.757 -0.122 1
1 920 . 15 1 1 A 78 78 ASN C C 78 175.681 176.164 -0.483 1
1 921 . 15 1 1 A 78 78 ASN CA C 78 53.610 52.430 1.180 1
1 922 . 15 1 1 A 78 78 ASN CB C 78 38.496 37.860 0.636 1
1 924 . 15 1 1 A 79 79 GLY H H 79 8.356 8.540 -0.184 1
1 925 . 15 1 1 A 79 79 GLY HA2 H 79 3.821 3.783 0.038 1
1 926 . 15 1 1 A 79 79 GLY HA3 H 79 4.011 3.791 0.220 1
1 927 . 15 1 1 A 79 79 GLY C C 79 174.154 175.495 -1.341 1
1 928 . 15 1 1 A 79 79 GLY CA C 79 45.563 46.766 -1.203 1
1 929 . 15 1 1 A 79 79 GLY N N 79 108.284 112.943 -4.659 1
1 930 . 15 1 1 A 80 80 ARG H H 80 7.919 7.774 0.145 1
1 931 . 15 1 1 A 80 80 ARG HA H 80 4.344 4.284 0.060 1
1 938 . 15 1 1 A 80 80 ARG C C 80 176.117 175.852 0.265 1
1 939 . 15 1 1 A 80 80 ARG CA C 80 55.905 55.243 0.662 1
1 940 . 15 1 1 A 80 80 ARG CB C 80 30.782 29.151 1.631 1
1 943 . 15 1 1 A 80 80 ARG N N 80 120.470 121.132 -0.662 1
1 944 . 15 1 1 A 81 81 LYS H H 81 8.427 9.040 -0.613 1
1 945 . 15 1 1 A 81 81 LYS HA H 81 4.350 4.204 0.146 1
1 954 . 15 1 1 A 81 81 LYS C C 81 176.808 175.513 1.295 1
1 955 . 15 1 1 A 81 81 LYS CA C 81 56.416 58.416 -2.000 1
1 956 . 15 1 1 A 81 81 LYS CB C 81 32.797 31.717 1.080 1
1 960 . 15 1 1 A 81 81 LYS N N 81 122.963 126.732 -3.769 1
1 961 . 15 1 1 A 82 82 SER H H 82 8.440 9.014 -0.574 1
1 962 . 15 1 1 A 82 82 SER HA H 82 4.380 4.176 0.204 1
1 965 . 15 1 1 A 82 82 SER C C 82 174.833 173.327 1.506 1
1 966 . 15 1 1 A 82 82 SER CA C 82 58.763 59.511 -0.748 1
1 967 . 15 1 1 A 82 82 SER CB C 82 63.723 62.396 1.327 1
1 968 . 15 1 1 A 82 82 SER N N 82 118.053 116.529 1.524 1
1 969 . 15 1 1 A 83 83 GLU H H 83 8.648 8.590 0.058 1
1 970 . 15 1 1 A 83 83 GLU HA H 83 4.233 3.864 0.369 1
1 975 . 15 1 1 A 83 83 GLU C C 83 176.311 175.087 1.224 1
1 976 . 15 1 1 A 83 83 GLU CA C 83 57.104 59.312 -2.208 1
1 977 . 15 1 1 A 83 83 GLU CB C 83 29.795 27.822 1.973 1
1 979 . 15 1 1 A 83 83 GLU N N 83 121.793 123.850 -2.057 1
1 980 . 15 1 1 A 84 84 GLU H H 84 8.088 8.833 -0.745 1
1 981 . 15 1 1 A 84 84 GLU HA H 84 4.161 4.521 -0.360 1
1 986 . 15 1 1 A 84 84 GLU C C 84 175.523 175.120 0.403 1
1 987 . 15 1 1 A 84 84 GLU CA C 84 56.275 55.117 1.158 1
1 988 . 15 1 1 A 84 84 GLU CB C 84 30.165 33.104 -2.939 1
1 990 . 15 1 1 A 84 84 GLU N N 84 119.385 117.830 1.555 1
1 991 . 15 1 1 A 85 85 GLU H H 85 7.907 8.379 -0.472 1
1 992 . 15 1 1 A 85 85 GLU HA H 85 4.350 4.503 -0.153 1
1 997 . 15 1 1 A 85 85 GLU C C 85 175.002 176.238 -1.236 1
1 998 . 15 1 1 A 85 85 GLU CA C 85 55.569 55.623 -0.054 1
1 999 . 15 1 1 A 85 85 GLU CB C 85 32.098 30.957 1.141 1
1 1001 . 15 1 1 A 85 85 GLU N N 85 120.414 124.056 -3.642 1
1 1002 . 15 1 1 A 86 86 ASN H H 86 8.569 8.561 0.008 1
1 1003 . 15 1 1 A 86 86 ASN HA H 86 4.225 5.113 -0.888 1
1 1008 . 15 1 1 A 86 86 ASN C C 86 175.147 174.912 0.235 1
1 1009 . 15 1 1 A 86 86 ASN CA C 86 54.068 53.320 0.748 1
1 1010 . 15 1 1 A 86 86 ASN CB C 86 38.185 39.118 -0.933 1
1 1011 . 15 1 1 A 86 86 ASN N N 86 114.602 118.646 -4.044 1
1 1013 . 15 1 1 A 87 87 LEU H H 87 8.483 8.995 -0.512 1
1 1014 . 15 1 1 A 87 87 LEU HA H 87 5.186 5.179 0.007 1
1 1024 . 15 1 1 A 87 87 LEU C C 87 178.480 175.385 3.095 1
1 1025 . 15 1 1 A 87 87 LEU CA C 87 55.128 53.210 1.918 1
1 1026 . 15 1 1 A 87 87 LEU CB C 87 44.559 46.366 -1.807 1
1 1030 . 15 1 1 A 87 87 LEU N N 87 121.334 124.949 -3.615 1
1 1031 . 15 1 1 A 88 88 PHE H H 88 9.512 8.501 1.011 1
1 1032 . 15 1 1 A 88 88 PHE HA H 88 5.156 5.098 0.058 1
1 1040 . 15 1 1 A 88 88 PHE C C 88 170.288 172.095 -1.807 1
1 1041 . 15 1 1 A 88 88 PHE CA C 88 56.787 56.726 0.061 1
1 1042 . 15 1 1 A 88 88 PHE CB C 88 41.763 40.810 0.953 1
1 1048 . 15 1 1 A 88 88 PHE N N 88 119.324 116.145 3.179 1
1 1049 . 15 1 1 A 89 89 GLU H H 89 9.028 8.884 0.144 1
1 1050 . 15 1 1 A 89 89 GLU HA H 89 5.293 5.051 0.242 1
1 1055 . 15 1 1 A 89 89 GLU C C 89 175.245 175.261 -0.016 1
1 1056 . 15 1 1 A 89 89 GLU CA C 89 53.433 55.331 -1.898 1
1 1057 . 15 1 1 A 89 89 GLU CB C 89 34.566 31.524 3.042 1
1 1059 . 15 1 1 A 89 89 GLU N N 89 121.829 120.707 1.122 1
1 1060 . 15 1 1 A 90 90 ILE H H 90 8.655 8.449 0.206 1
1 1061 . 15 1 1 A 90 90 ILE HA H 90 4.793 4.783 0.010 1
1 1071 . 15 1 1 A 90 90 ILE C C 90 174.808 174.888 -0.080 1
1 1072 . 15 1 1 A 90 90 ILE CA C 90 59.857 60.312 -0.455 1
1 1073 . 15 1 1 A 90 90 ILE CB C 90 41.886 40.538 1.348 1
1 1077 . 15 1 1 A 90 90 ILE N N 90 123.446 126.447 -3.001 1
1 1078 . 15 1 1 A 91 91 ILE H H 91 9.199 8.908 0.291 1
1 1079 . 15 1 1 A 91 91 ILE HA H 91 4.724 4.799 -0.075 1
1 1089 . 15 1 1 A 91 91 ILE C C 91 177.898 176.060 1.838 1
1 1090 . 15 1 1 A 91 91 ILE CA C 91 60.211 60.589 -0.378 1
1 1091 . 15 1 1 A 91 91 ILE CB C 91 39.043 38.280 0.763 1
1 1095 . 15 1 1 A 91 91 ILE N N 91 126.827 129.039 -2.212 1
1 1096 . 15 1 1 A 92 92 THR H H 92 9.086 8.042 1.044 1
1 1097 . 15 1 1 A 92 92 THR HA H 92 4.314 4.836 -0.522 1
1 1102 . 15 1 1 A 92 92 THR C C 92 176.857 175.893 0.964 1
1 1103 . 15 1 1 A 92 92 THR CA C 92 61.693 60.107 1.586 1
1 1104 . 15 1 1 A 92 92 THR CB C 92 70.920 71.686 -0.766 1
1 1106 . 15 1 1 A 92 92 THR N N 92 117.131 117.260 -0.129 1
1 1107 . 15 1 1 A 93 93 ALA H H 93 9.192 9.062 0.130 1
1 1108 . 15 1 1 A 93 93 ALA HA H 93 4.101 4.511 -0.410 1
1 1112 . 15 1 1 A 93 93 ALA C C 93 178.008 177.564 0.444 1
1 1113 . 15 1 1 A 93 93 ALA CA C 93 54.634 54.345 0.289 1
1 1114 . 15 1 1 A 93 93 ALA CB C 93 18.198 18.645 -0.447 1
1 1115 . 15 1 1 A 93 93 ALA N N 93 123.540 124.035 -0.495 1
1 1116 . 15 1 1 A 94 94 ASP H H 94 7.979 7.682 0.297 1
1 1117 . 15 1 1 A 94 94 ASP HA H 94 4.724 4.704 0.020 1
1 1120 . 15 1 1 A 94 94 ASP C C 94 174.324 175.525 -1.201 1
1 1121 . 15 1 1 A 94 94 ASP CA C 94 53.098 53.753 -0.655 1
1 1122 . 15 1 1 A 94 94 ASP CB C 94 39.336 41.189 -1.853 1
1 1123 . 15 1 1 A 94 94 ASP N N 94 113.209 116.882 -3.673 1
1 1124 . 15 1 1 A 95 95 GLU H H 95 8.152 8.435 -0.283 1
1 1125 . 15 1 1 A 95 95 GLU HA H 95 3.430 3.855 -0.425 1
1 1130 . 15 1 1 A 95 95 GLU C C 95 174.578 175.608 -1.030 1
1 1131 . 15 1 1 A 95 95 GLU CA C 95 57.687 57.893 -0.206 1
1 1132 . 15 1 1 A 95 95 GLU CB C 95 26.300 27.494 -1.194 1
1 1134 . 15 1 1 A 95 95 GLU N N 95 114.010 115.177 -1.167 1
1 1135 . 15 1 1 A 96 96 VAL H H 96 7.595 7.382 0.213 1
1 1136 . 15 1 1 A 96 96 VAL HA H 96 4.063 3.935 0.128 1
1 1144 . 15 1 1 A 96 96 VAL C C 96 175.293 175.050 0.243 1
1 1145 . 15 1 1 A 96 96 VAL CA C 96 62.751 63.105 -0.354 1
1 1146 . 15 1 1 A 96 96 VAL CB C 96 31.440 31.498 -0.058 1
1 1149 . 15 1 1 A 96 96 VAL N N 96 120.925 120.387 0.538 1
1 1150 . 15 1 1 A 97 97 HIS H H 97 8.603 9.123 -0.520 1
1 1151 . 15 1 1 A 97 97 HIS HA H 97 5.234 5.058 0.176 1
1 1156 . 15 1 1 A 97 97 HIS C C 97 174.348 173.480 0.868 1
1 1157 . 15 1 1 A 97 97 HIS CA C 97 54.404 53.583 0.821 1
1 1158 . 15 1 1 A 97 97 HIS CB C 97 30.536 31.325 -0.789 1
1 1161 . 15 1 1 A 97 97 HIS N N 97 124.160 126.953 -2.793 1
1 1162 . 15 1 1 A 98 98 TYR H H 98 9.267 8.849 0.418 1
1 1163 . 15 1 1 A 98 98 TYR HA H 98 4.532 4.782 -0.250 1
1 1170 . 15 1 1 A 98 98 TYR C C 98 173.621 174.516 -0.895 1
1 1171 . 15 1 1 A 98 98 TYR CA C 98 57.122 56.309 0.813 1
1 1172 . 15 1 1 A 98 98 TYR CB C 98 41.228 42.415 -1.187 1
1 1177 . 15 1 1 A 98 98 TYR N N 98 121.543 120.408 1.135 1
1 1178 . 15 1 1 A 99 99 PHE H H 99 8.861 9.046 -0.185 1
1 1179 . 15 1 1 A 99 99 PHE HA H 99 4.983 5.139 -0.156 1
1 1186 . 15 1 1 A 99 99 PHE C C 99 173.754 174.616 -0.862 1
1 1187 . 15 1 1 A 99 99 PHE CA C 99 57.705 56.598 1.107 1
1 1188 . 15 1 1 A 99 99 PHE CB C 99 41.516 40.077 1.439 1
1 1193 . 15 1 1 A 99 99 PHE N N 99 121.699 122.305 -0.606 1
1 1194 . 15 1 1 A 100 100 LEU H H 100 8.529 8.213 0.316 1
1 1195 . 15 1 1 A 100 100 LEU HA H 100 5.345 5.340 0.005 1
1 1205 . 15 1 1 A 100 100 LEU C C 100 174.942 174.590 0.352 1
1 1206 . 15 1 1 A 100 100 LEU CA C 100 52.781 52.741 0.040 1
1 1207 . 15 1 1 A 100 100 LEU CB C 100 44.518 43.380 1.138 1
1 1211 . 15 1 1 A 100 100 LEU N N 100 123.519 124.565 -1.046 1
1 1212 . 15 1 1 A 101 101 GLN H H 101 8.717 9.051 -0.334 1
1 1213 . 15 1 1 A 101 101 GLN HA H 101 4.886 4.788 0.098 1
1 1220 . 15 1 1 A 101 101 GLN C C 101 175.390 174.602 0.788 1
1 1221 . 15 1 1 A 101 101 GLN CA C 101 54.934 54.458 0.476 1
1 1222 . 15 1 1 A 101 101 GLN CB C 101 32.222 30.010 2.212 1
1 1224 . 15 1 1 A 101 101 GLN N N 101 117.786 124.723 -6.937 1
1 1226 . 15 1 1 A 102 102 ALA H H 102 8.256 9.273 -1.017 1
1 1227 . 15 1 1 A 102 102 ALA HA H 102 4.862 4.835 0.027 1
1 1231 . 15 1 1 A 102 102 ALA C C 102 176.008 177.962 -1.954 1
1 1232 . 15 1 1 A 102 102 ALA CA C 102 50.098 51.076 -0.978 1
1 1233 . 15 1 1 A 102 102 ALA CB C 102 21.606 20.750 0.856 1
1 1234 . 15 1 1 A 102 102 ALA N N 102 128.068 129.777 -1.709 1
1 1235 . 15 1 1 A 103 103 ALA H H 103 9.255 8.850 0.405 1
1 1236 . 15 1 1 A 103 103 ALA HA H 103 4.247 4.045 0.202 1
1 1240 . 15 1 1 A 103 103 ALA C C 103 178.153 177.894 0.259 1
1 1241 . 15 1 1 A 103 103 ALA CA C 103 54.369 56.040 -1.671 1
1 1242 . 15 1 1 A 103 103 ALA CB C 103 20.377 18.668 1.709 1
1 1243 . 15 1 1 A 103 103 ALA N N 103 120.410 126.252 -5.842 1
1 1244 . 15 1 1 A 104 104 THR H H 104 7.149 7.870 -0.721 1
1 1245 . 15 1 1 A 104 104 THR HA H 104 4.846 4.650 0.196 1
1 1250 . 15 1 1 A 104 104 THR C C 104 173.354 174.414 -1.060 1
1 1251 . 15 1 1 A 104 104 THR CA C 104 57.810 59.693 -1.883 1
1 1252 . 15 1 1 A 104 104 THR CB C 104 71.496 69.711 1.785 1
1 1254 . 15 1 1 A 104 104 THR N N 104 103.106 109.067 -5.961 1
1 1255 . 15 1 1 A 105 105 PRO HA H 105 4.225 4.598 -0.373 1
1 1262 . 15 1 1 A 105 105 PRO C C 105 179.704 178.292 1.412 1
1 1263 . 15 1 1 A 105 105 PRO CA C 105 65.046 64.289 0.757 1
1 1264 . 15 1 1 A 105 105 PRO CB C 105 31.775 31.889 -0.114 1
1 1267 . 15 1 1 A 106 106 LYS H H 106 7.764 7.910 -0.146 1
1 1268 . 15 1 1 A 106 106 LYS HA H 106 4.036 4.069 -0.033 1
1 1277 . 15 1 1 A 106 106 LYS C C 106 177.959 178.763 -0.804 1
1 1278 . 15 1 1 A 106 106 LYS CA C 106 59.452 59.547 -0.095 1
1 1279 . 15 1 1 A 106 106 LYS CB C 106 32.797 32.323 0.474 1
1 1283 . 15 1 1 A 106 106 LYS N N 106 119.261 118.700 0.561 1
1 1284 . 15 1 1 A 107 107 GLU H H 107 8.005 8.112 -0.107 1
1 1285 . 15 1 1 A 107 107 GLU HA H 107 4.171 3.921 0.250 1
1 1290 . 15 1 1 A 107 107 GLU C C 107 178.529 178.665 -0.136 1
1 1291 . 15 1 1 A 107 107 GLU CA C 107 59.310 59.798 -0.488 1
1 1292 . 15 1 1 A 107 107 GLU CB C 107 31.111 29.339 1.772 1
1 1294 . 15 1 1 A 107 107 GLU N N 107 119.293 118.843 0.450 1
1 1295 . 15 1 1 A 108 108 ARG H H 108 7.810 7.565 0.245 1
1 1296 . 15 1 1 A 108 108 ARG HA H 108 3.603 4.412 -0.809 1
1 1303 . 15 1 1 A 108 108 ARG C C 108 176.287 178.953 -2.666 1
1 1304 . 15 1 1 A 108 108 ARG CA C 108 60.598 59.135 1.463 1
1 1305 . 15 1 1 A 108 108 ARG CB C 108 29.548 30.285 -0.737 1
1 1308 . 15 1 1 A 108 108 ARG N N 108 118.989 119.410 -0.421 1
1 1309 . 15 1 1 A 109 109 THR H H 109 8.195 7.972 0.223 1
1 1310 . 15 1 1 A 109 109 THR HA H 109 3.645 3.814 -0.169 1
1 1315 . 15 1 1 A 109 109 THR C C 109 176.227 176.600 -0.373 1
1 1316 . 15 1 1 A 109 109 THR CA C 109 67.022 67.315 -0.293 1
1 1317 . 15 1 1 A 109 109 THR CB C 109 68.576 68.415 0.161 1
1 1319 . 15 1 1 A 109 109 THR N N 109 115.975 116.358 -0.383 1
1 1320 . 15 1 1 A 110 110 GLU H H 110 8.274 8.762 -0.488 1
1 1321 . 15 1 1 A 110 110 GLU HA H 110 3.794 3.889 -0.095 1
1 1326 . 15 1 1 A 110 110 GLU C C 110 180.516 179.302 1.214 1
1 1327 . 15 1 1 A 110 110 GLU CA C 110 59.534 59.728 -0.194 1
1 1328 . 15 1 1 A 110 110 GLU CB C 110 29.507 29.184 0.323 1
1 1330 . 15 1 1 A 110 110 GLU N N 110 119.565 118.907 0.658 1
1 1331 . 15 1 1 A 111 111 TRP H H 111 8.316 8.998 -0.682 1
1 1332 . 15 1 1 A 111 111 TRP HA H 111 3.912 4.279 -0.367 1
1 1341 . 15 1 1 A 111 111 TRP C C 111 178.020 178.438 -0.418 1
1 1342 . 15 1 1 A 111 111 TRP CA C 111 62.464 60.126 2.338 1
1 1343 . 15 1 1 A 111 111 TRP CB C 111 29.548 29.283 0.265 1
1 1349 . 15 1 1 A 111 111 TRP N N 111 120.868 120.527 0.341 1
1 1351 . 15 1 1 A 112 112 ILE H H 112 8.271 7.719 0.552 1
1 1352 . 15 1 1 A 112 112 ILE HA H 112 3.254 3.515 -0.261 1
1 1362 . 15 1 1 A 112 112 ILE C C 112 177.669 178.052 -0.383 1
1 1363 . 15 1 1 A 112 112 ILE CA C 112 67.040 64.915 2.125 1
1 1364 . 15 1 1 A 112 112 ILE CB C 112 37.856 37.624 0.232 1
1 1368 . 15 1 1 A 112 112 ILE N N 112 118.862 119.684 -0.822 1
1 1369 . 15 1 1 A 113 113 LYS H H 113 8.042 8.163 -0.121 1
1 1370 . 15 1 1 A 113 113 LYS HA H 113 3.991 4.032 -0.041 1
1 1379 . 15 1 1 A 113 113 LYS C C 113 178.977 179.200 -0.223 1
1 1380 . 15 1 1 A 113 113 LYS CA C 113 59.328 59.221 0.107 1
1 1381 . 15 1 1 A 113 113 LYS CB C 113 32.345 32.167 0.178 1
1 1385 . 15 1 1 A 113 113 LYS N N 113 117.182 119.762 -2.580 1
1 1386 . 15 1 1 A 114 114 ALA H H 114 7.686 8.836 -1.150 1
1 1387 . 15 1 1 A 114 114 ALA HA H 114 4.058 4.057 0.001 1
1 1391 . 15 1 1 A 114 114 ALA C C 114 179.849 179.807 0.042 1
1 1392 . 15 1 1 A 114 114 ALA CA C 114 55.146 55.173 -0.027 1
1 1393 . 15 1 1 A 114 114 ALA CB C 114 18.362 18.781 -0.419 1
1 1394 . 15 1 1 A 114 114 ALA N N 114 120.689 121.913 -1.224 1
1 1395 . 15 1 1 A 115 115 ILE H H 115 8.594 8.842 -0.248 1
1 1396 . 15 1 1 A 115 115 ILE HA H 115 3.534 3.607 -0.073 1
1 1406 . 15 1 1 A 115 115 ILE C C 115 178.432 178.185 0.247 1
1 1407 . 15 1 1 A 115 115 ILE CA C 115 66.016 65.117 0.899 1
1 1408 . 15 1 1 A 115 115 ILE CB C 115 38.390 37.628 0.762 1
1 1412 . 15 1 1 A 115 115 ILE N N 115 118.898 117.702 1.196 1
1 1413 . 15 1 1 A 116 116 GLN H H 116 8.732 8.262 0.470 1
1 1414 . 15 1 1 A 116 116 GLN HA H 116 3.851 4.262 -0.411 1
1 1421 . 15 1 1 A 116 116 GLN C C 116 179.655 178.237 1.418 1
1 1422 . 15 1 1 A 116 116 GLN CA C 116 59.575 58.863 0.712 1
1 1423 . 15 1 1 A 116 116 GLN CB C 116 28.222 28.549 -0.327 1
1 1425 . 15 1 1 A 116 116 GLN N N 116 119.877 118.765 1.112 1
1 1427 . 15 1 1 A 117 117 MET H H 117 8.279 8.504 -0.225 1
1 1428 . 15 1 1 A 117 117 MET HA H 117 4.155 4.022 0.133 1
1 1436 . 15 1 1 A 117 117 MET C C 117 179.123 178.046 1.077 1
1 1437 . 15 1 1 A 117 117 MET CA C 117 58.658 58.364 0.294 1
1 1438 . 15 1 1 A 117 117 MET CB C 117 31.934 32.390 -0.456 1
1 1441 . 15 1 1 A 117 117 MET N N 117 118.855 119.385 -0.530 1
1 1442 . 15 1 1 A 118 118 ALA H H 118 8.266 7.615 0.651 1
1 1443 . 15 1 1 A 118 118 ALA HA H 118 4.240 4.056 0.184 1
1 1447 . 15 1 1 A 118 118 ALA C C 118 178.820 179.500 -0.680 1
1 1448 . 15 1 1 A 118 118 ALA CA C 118 54.604 55.022 -0.418 1
1 1449 . 15 1 1 A 118 118 ALA CB C 118 18.627 18.955 -0.328 1
1 1450 . 15 1 1 A 118 118 ALA N N 118 121.702 121.539 0.163 1
1 1451 . 15 1 1 A 119 119 SER H H 119 8.073 9.184 -1.111 1
1 1452 . 15 1 1 A 119 119 SER HA H 119 4.027 4.193 -0.166 1
1 1455 . 15 1 1 A 119 119 SER C C 119 174.663 177.113 -2.450 1
1 1456 . 15 1 1 A 119 119 SER CA C 119 60.122 61.662 -1.540 1
1 1457 . 15 1 1 A 119 119 SER CB C 119 64.299 62.723 1.576 1
1 1458 . 15 1 1 A 119 119 SER N N 119 110.080 112.833 -2.753 1
1 1459 . 15 1 1 A 120 120 ARG H H 120 7.345 8.649 -1.304 1
1 1460 . 15 1 1 A 120 120 ARG HA H 120 4.383 4.118 0.265 1
1 1467 . 15 1 1 A 120 120 ARG C C 120 176.372 176.710 -0.338 1
1 1468 . 15 1 1 A 120 120 ARG CA C 120 56.681 58.965 -2.284 1
1 1469 . 15 1 1 A 120 120 ARG CB C 120 30.248 29.853 0.395 1
1 1472 . 15 1 1 A 120 120 ARG N N 120 120.244 121.730 -1.486 1
1 1473 . 15 1 1 A 121 121 THR H H 121 8.070 8.716 -0.646 1
1 1474 . 15 1 1 A 121 121 THR HA H 121 4.365 4.260 0.105 1
1 1479 . 15 1 1 A 121 121 THR C C 121 175.281 175.336 -0.055 1
1 1480 . 15 1 1 A 121 121 THR CA C 121 62.557 62.798 -0.241 1
1 1481 . 15 1 1 A 121 121 THR CB C 121 70.298 68.985 1.313 1
1 1483 . 15 1 1 A 121 121 THR N N 121 114.024 114.378 -0.354 1
1 1484 . 15 1 1 A 122 122 GLY H H 122 8.520 8.895 -0.375 1
1 1485 . 15 1 1 A 122 122 GLY HA2 H 122 4.005 3.816 0.189 1
1 1486 . 15 1 1 A 122 122 GLY HA3 H 122 4.005 3.816 0.189 1
1 1487 . 15 1 1 A 122 122 GLY C C 122 174.118 174.620 -0.502 1
1 1488 . 15 1 1 A 122 122 GLY CA C 122 45.351 46.990 -1.639 1
1 1489 . 15 1 1 A 122 122 GLY N N 122 111.123 110.561 0.562 1
1 1490 . 15 1 1 A 123 123 LYS H H 123 8.309 8.217 0.092 1
1 1491 . 15 1 1 A 123 123 LYS HA H 123 4.364 4.185 0.179 1
1 1500 . 15 1 1 A 123 123 LYS C C 123 176.772 175.030 1.742 1
1 1501 . 15 1 1 A 123 123 LYS CA C 123 56.310 58.677 -2.367 1
1 1502 . 15 1 1 A 123 123 LYS CB C 123 33.167 32.207 0.960 1
1 1506 . 15 1 1 A 123 123 LYS N N 123 121.100 119.723 1.377 1
1 1507 . 15 1 1 A 124 124 SER H H 124 8.453 8.065 0.388 1
1 1508 . 15 1 1 A 124 124 SER HA H 124 4.489 4.862 -0.373 1
1 1509 . 15 1 1 A 124 124 SER C C 124 174.518 173.336 1.182 1
1 1510 . 15 1 1 A 124 124 SER CA C 124 58.357 56.767 1.590 1
1 1511 . 15 1 1 A 124 124 SER CB C 124 64.052 65.236 -1.184 1
1 1512 . 15 1 1 A 124 124 SER N N 124 117.316 114.899 2.417 1
1 1513 . 15 1 1 A 125 125 GLY H H 125 8.278 8.370 -0.092 1
1 1514 . 15 1 1 A 125 125 GLY HA2 H 125 4.154 4.226 -0.072 1
1 1515 . 15 1 1 A 125 125 GLY HA3 H 125 4.102 4.227 -0.125 1
1 1516 . 15 1 1 A 125 125 GLY C C 125 171.827 174.000 -2.173 1
1 1517 . 15 1 1 A 125 125 GLY CA C 125 44.680 45.287 -0.607 1
1 1518 . 15 1 1 A 125 125 GLY N N 125 110.670 113.852 -3.182 1
1 1519 . 15 1 1 A 126 126 PRO HA H 126 4.461 4.422 0.039 1
1 1526 . 15 1 1 A 126 126 PRO C C 126 177.426 177.366 0.060 1
1 1527 . 15 1 1 A 126 126 PRO CA C 126 63.281 64.964 -1.683 1
1 1528 . 15 1 1 A 126 126 PRO CB C 126 32.263 32.179 0.084 1
1 1531 . 15 1 1 A 127 127 SER H H 127 8.556 7.945 0.611 1
1 1532 . 15 1 1 A 127 127 SER HA H 127 4.489 4.649 -0.160 1
1 1535 . 15 1 1 A 127 127 SER C C 127 174.651 174.247 0.404 1
1 1536 . 15 1 1 A 127 127 SER CA C 127 58.410 58.582 -0.172 1
1 1537 . 15 1 1 A 127 127 SER CB C 127 63.682 64.349 -0.667 1
1 1538 . 15 1 1 A 127 127 SER N N 127 116.423 109.654 6.769 1
1 1539 . 15 1 1 A 128 128 SER H H 128 8.313 7.875 0.438 1
1 1540 . 15 1 1 A 128 128 SER HA H 128 4.489 4.780 -0.291 1
1 1543 . 15 1 1 A 128 128 SER C C 128 173.936 173.733 0.203 1
1 1544 . 15 1 1 A 128 128 SER CA C 128 58.393 59.550 -1.157 1
1 1545 . 15 1 1 A 128 128 SER CB C 128 64.052 65.279 -1.227 1
1 1546 . 15 1 1 A 128 128 SER N N 128 117.750 114.360 3.390 1
1 1 . 16 1 1 A 6 6 SER HA H 6 4.475 4.892 -0.417 1
1 4 . 16 1 1 A 6 6 SER C C 6 174.978 174.148 0.830 1
1 5 . 16 1 1 A 6 6 SER CA C 6 58.657 57.987 0.670 1
1 6 . 16 1 1 A 6 6 SER CB C 6 63.682 64.073 -0.391 1
1 7 . 16 1 1 A 7 7 GLY H H 7 8.385 8.288 0.097 1
1 8 . 16 1 1 A 7 7 GLY HA2 H 7 3.947 4.166 -0.219 1
1 9 . 16 1 1 A 7 7 GLY HA3 H 7 3.947 4.167 -0.220 1
1 10 . 16 1 1 A 7 7 GLY C C 7 173.900 171.151 2.749 1
1 11 . 16 1 1 A 7 7 GLY CA C 7 45.280 45.283 -0.003 1
1 12 . 16 1 1 A 7 7 GLY N N 7 110.753 109.730 1.023 1
1 13 . 16 1 1 A 8 8 VAL H H 8 7.896 8.294 -0.398 1
1 14 . 16 1 1 A 8 8 VAL HA H 8 4.046 4.913 -0.867 1
1 22 . 16 1 1 A 8 8 VAL C C 8 175.948 174.843 1.105 1
1 23 . 16 1 1 A 8 8 VAL CA C 8 62.399 59.593 2.806 1
1 24 . 16 1 1 A 8 8 VAL CB C 8 32.904 35.669 -2.765 1
1 27 . 16 1 1 A 8 8 VAL N N 8 119.771 118.745 1.026 1
1 28 . 16 1 1 A 9 9 ILE H H 9 8.253 8.529 -0.276 1
1 29 . 16 1 1 A 9 9 ILE HA H 9 4.103 4.106 -0.003 1
1 39 . 16 1 1 A 9 9 ILE C C 9 175.984 176.172 -0.188 1
1 40 . 16 1 1 A 9 9 ILE CA C 9 60.657 62.038 -1.381 1
1 41 . 16 1 1 A 9 9 ILE CB C 9 38.349 38.328 0.021 1
1 45 . 16 1 1 A 9 9 ILE N N 9 125.791 124.695 1.096 1
1 46 . 16 1 1 A 10 10 LEU H H 10 8.374 8.419 -0.045 1
1 47 . 16 1 1 A 10 10 LEU HA H 10 4.379 5.142 -0.763 1
1 57 . 16 1 1 A 10 10 LEU C C 10 177.171 175.728 1.443 1
1 58 . 16 1 1 A 10 10 LEU CA C 10 54.598 53.247 1.351 1
1 59 . 16 1 1 A 10 10 LEU CB C 10 42.873 46.216 -3.343 1
1 63 . 16 1 1 A 10 10 LEU N N 10 127.929 125.035 2.894 1
1 64 . 16 1 1 A 11 11 LYS H H 11 8.414 8.633 -0.219 1
1 65 . 16 1 1 A 11 11 LYS HA H 11 4.214 4.339 -0.125 1
1 74 . 16 1 1 A 11 11 LYS C C 11 177.244 177.042 0.202 1
1 75 . 16 1 1 A 11 11 LYS CA C 11 57.051 56.196 0.855 1
1 76 . 16 1 1 A 11 11 LYS CB C 11 33.332 33.387 -0.055 1
1 80 . 16 1 1 A 11 11 LYS N N 11 123.211 123.435 -0.224 1
1 81 . 16 1 1 A 12 12 GLU H H 12 8.629 8.388 0.241 1
1 82 . 16 1 1 A 12 12 GLU HA H 12 3.745 4.513 -0.768 1
1 87 . 16 1 1 A 12 12 GLU C C 12 177.366 177.018 0.348 1
1 88 . 16 1 1 A 12 12 GLU CA C 12 59.663 56.285 3.378 1
1 89 . 16 1 1 A 12 12 GLU CB C 12 29.672 30.284 -0.612 1
1 91 . 16 1 1 A 12 12 GLU N N 12 122.998 119.362 3.636 1
1 92 . 16 1 1 A 13 13 GLU H H 13 8.043 8.050 -0.007 1
1 93 . 16 1 1 A 13 13 GLU HA H 13 3.333 4.105 -0.772 1
1 98 . 16 1 1 A 13 13 GLU C C 13 175.451 176.330 -0.879 1
1 99 . 16 1 1 A 13 13 GLU CA C 13 57.634 56.530 1.104 1
1 100 . 16 1 1 A 13 13 GLU CB C 13 28.567 28.722 -0.155 1
1 102 . 16 1 1 A 13 13 GLU N N 13 113.498 118.712 -5.214 1
1 103 . 16 1 1 A 14 14 PHE H H 14 7.483 7.655 -0.172 1
1 104 . 16 1 1 A 14 14 PHE HA H 14 4.650 4.877 -0.227 1
1 112 . 16 1 1 A 14 14 PHE C C 14 175.657 175.565 0.092 1
1 113 . 16 1 1 A 14 14 PHE CA C 14 56.187 56.848 -0.661 1
1 114 . 16 1 1 A 14 14 PHE CB C 14 39.665 38.505 1.160 1
1 120 . 16 1 1 A 14 14 PHE N N 14 115.879 119.417 -3.538 1
1 121 . 16 1 1 A 15 15 ARG H H 15 7.757 8.029 -0.272 1
1 122 . 16 1 1 A 15 15 ARG HA H 15 4.154 4.661 -0.507 1
1 129 . 16 1 1 A 15 15 ARG C C 15 177.353 176.429 0.924 1
1 130 . 16 1 1 A 15 15 ARG CA C 15 58.092 55.193 2.899 1
1 131 . 16 1 1 A 15 15 ARG CB C 15 31.193 31.192 0.001 1
1 134 . 16 1 1 A 15 15 ARG N N 15 118.945 118.127 0.818 1
1 135 . 16 1 1 A 16 16 GLY H H 16 8.812 8.058 0.754 1
1 136 . 16 1 1 A 16 16 GLY HA2 H 16 4.194 4.100 0.094 1
1 137 . 16 1 1 A 16 16 GLY HA3 H 16 3.824 4.124 -0.300 1
1 138 . 16 1 1 A 16 16 GLY C C 16 173.427 172.811 0.616 1
1 139 . 16 1 1 A 16 16 GLY CA C 16 45.157 44.484 0.673 1
1 140 . 16 1 1 A 16 16 GLY N N 16 109.133 109.778 -0.645 1
1 141 . 16 1 1 A 17 17 VAL H H 17 8.308 8.380 -0.072 1
1 142 . 16 1 1 A 17 17 VAL HA H 17 4.060 4.992 -0.932 1
1 150 . 16 1 1 A 17 17 VAL C C 17 176.469 174.006 2.463 1
1 151 . 16 1 1 A 17 17 VAL CA C 17 62.098 59.440 2.658 1
1 152 . 16 1 1 A 17 17 VAL CB C 17 33.414 35.913 -2.499 1
1 155 . 16 1 1 A 17 17 VAL N N 17 120.815 119.995 0.820 1
1 156 . 16 1 1 A 18 18 ILE H H 18 8.547 8.970 -0.423 1
1 157 . 16 1 1 A 18 18 ILE HA H 18 4.186 4.646 -0.460 1
1 167 . 16 1 1 A 18 18 ILE C C 18 177.208 176.683 0.525 1
1 168 . 16 1 1 A 18 18 ILE CA C 18 63.175 60.842 2.333 1
1 169 . 16 1 1 A 18 18 ILE CB C 18 38.596 39.065 -0.469 1
1 173 . 16 1 1 A 18 18 ILE N N 18 125.006 125.033 -0.027 1
1 174 . 16 1 1 A 19 19 ILE H H 19 9.127 8.815 0.312 1
1 175 . 16 1 1 A 19 19 ILE HA H 19 4.461 4.483 -0.022 1
1 185 . 16 1 1 A 19 19 ILE C C 19 176.081 175.990 0.091 1
1 186 . 16 1 1 A 19 19 ILE CA C 19 60.298 61.300 -1.002 1
1 187 . 16 1 1 A 19 19 ILE CB C 19 39.665 39.250 0.415 1
1 191 . 16 1 1 A 19 19 ILE N N 19 124.358 121.026 3.332 1
1 192 . 16 1 1 A 20 20 LYS H H 20 7.620 7.684 -0.064 1
1 193 . 16 1 1 A 20 20 LYS HA H 20 4.325 4.714 -0.389 1
1 202 . 16 1 1 A 20 20 LYS C C 20 172.760 174.228 -1.468 1
1 203 . 16 1 1 A 20 20 LYS CA C 20 57.298 55.535 1.763 1
1 204 . 16 1 1 A 20 20 LYS CB C 20 36.458 35.766 0.692 1
1 208 . 16 1 1 A 20 20 LYS N N 20 121.749 121.463 0.286 1
1 209 . 16 1 1 A 21 21 GLN H H 21 8.572 8.596 -0.024 1
1 210 . 16 1 1 A 21 21 GLN HA H 21 5.927 5.322 0.605 1
1 217 . 16 1 1 A 21 21 GLN C C 21 175.124 174.759 0.365 1
1 218 . 16 1 1 A 21 21 GLN CA C 21 54.227 54.555 -0.328 1
1 219 . 16 1 1 A 21 21 GLN CB C 21 33.369 33.242 0.127 1
1 221 . 16 1 1 A 21 21 GLN N N 21 121.653 123.845 -2.192 1
1 223 . 16 1 1 A 22 22 GLY H H 22 9.178 8.594 0.584 1
1 224 . 16 1 1 A 22 22 GLY HA2 H 22 4.904 4.311 0.593 1
1 225 . 16 1 1 A 22 22 GLY HA3 H 22 4.447 4.400 0.047 1
1 226 . 16 1 1 A 22 22 GLY C C 22 172.300 172.343 -0.043 1
1 227 . 16 1 1 A 22 22 GLY CA C 22 45.650 45.870 -0.220 1
1 228 . 16 1 1 A 22 22 GLY N N 22 108.544 108.377 0.167 1
1 229 . 16 1 1 A 23 23 CYS H H 23 9.262 8.796 0.466 1
1 230 . 16 1 1 A 23 23 CYS HA H 23 5.904 6.125 -0.221 1
1 233 . 16 1 1 A 23 23 CYS C C 23 175.293 173.657 1.636 1
1 234 . 16 1 1 A 23 23 CYS CA C 23 59.222 57.267 1.955 1
1 235 . 16 1 1 A 23 23 CYS CB C 23 29.260 30.829 -1.569 1
1 236 . 16 1 1 A 23 23 CYS N N 23 118.575 117.858 0.717 1
1 237 . 16 1 1 A 24 24 LEU H H 24 9.131 10.222 -1.091 1
1 238 . 16 1 1 A 24 24 LEU HA H 24 4.627 5.163 -0.536 1
1 248 . 16 1 1 A 24 24 LEU C C 24 175.354 175.547 -0.193 1
1 249 . 16 1 1 A 24 24 LEU CA C 24 53.963 53.776 0.187 1
1 250 . 16 1 1 A 24 24 LEU CB C 24 47.315 46.020 1.295 1
1 254 . 16 1 1 A 24 24 LEU N N 24 122.880 124.037 -1.157 1
1 255 . 16 1 1 A 25 25 LEU H H 25 7.968 9.059 -1.091 1
1 256 . 16 1 1 A 25 25 LEU HA H 25 5.056 5.209 -0.153 1
1 266 . 16 1 1 A 25 25 LEU C C 25 175.766 175.234 0.532 1
1 267 . 16 1 1 A 25 25 LEU CA C 25 54.810 54.361 0.449 1
1 268 . 16 1 1 A 25 25 LEU CB C 25 44.065 42.166 1.899 1
1 272 . 16 1 1 A 25 25 LEU N N 25 119.755 122.718 -2.963 1
1 273 . 16 1 1 A 26 26 LYS H H 26 9.307 8.614 0.693 1
1 274 . 16 1 1 A 26 26 LYS HA H 26 5.166 4.756 0.410 1
1 283 . 16 1 1 A 26 26 LYS C C 26 175.778 175.680 0.098 1
1 284 . 16 1 1 A 26 26 LYS CA C 26 54.687 55.852 -1.165 1
1 285 . 16 1 1 A 26 26 LYS CB C 26 37.033 33.418 3.615 1
1 289 . 16 1 1 A 26 26 LYS N N 26 122.635 126.447 -3.812 1
1 290 . 16 1 1 A 27 27 GLN H H 27 8.228 8.029 0.199 1
1 291 . 16 1 1 A 27 27 GLN HA H 27 3.839 4.428 -0.589 1
1 298 . 16 1 1 A 27 27 GLN C C 27 176.869 175.497 1.372 1
1 299 . 16 1 1 A 27 27 GLN CA C 27 55.922 54.946 0.976 1
1 300 . 16 1 1 A 27 27 GLN CB C 27 29.589 30.376 -0.787 1
1 302 . 16 1 1 A 27 27 GLN N N 27 132.145 127.552 4.593 1
1 304 . 16 1 1 A 28 28 GLY H H 28 8.434 8.274 0.160 1
1 305 . 16 1 1 A 28 28 GLY HA2 H 28 4.144 4.031 0.113 1
1 306 . 16 1 1 A 28 28 GLY HA3 H 28 3.999 4.039 -0.040 1
1 307 . 16 1 1 A 28 28 GLY CA C 28 45.457 45.187 0.270 1
1 308 . 16 1 1 A 28 28 GLY N N 28 114.691 111.429 3.262 1
1 309 . 16 1 1 A 29 29 HIS HA H 29 4.352 4.721 -0.369 1
1 314 . 16 1 1 A 29 29 HIS CA C 29 58.505 56.829 1.676 1
1 315 . 16 1 1 A 29 29 HIS CB C 29 30.967 31.474 -0.507 1
1 318 . 16 1 1 A 30 30 ARG HA H 30 4.114 4.079 0.035 1
1 325 . 16 1 1 A 30 30 ARG CA C 30 56.429 59.153 -2.724 1
1 326 . 16 1 1 A 30 30 ARG CB C 30 29.591 30.400 -0.809 1
1 329 . 16 1 1 A 31 31 ARG HA H 31 3.774 4.337 -0.563 1
1 336 . 16 1 1 A 31 31 ARG C C 31 175.536 176.625 -1.089 1
1 337 . 16 1 1 A 31 31 ARG CA C 31 55.922 56.861 -0.939 1
1 338 . 16 1 1 A 31 31 ARG CB C 31 29.302 30.691 -1.389 1
1 341 . 16 1 1 A 32 32 LYS H H 32 8.011 8.641 -0.630 1
1 342 . 16 1 1 A 32 32 LYS HA H 32 4.164 3.993 0.171 1
1 351 . 16 1 1 A 32 32 LYS C C 32 175.741 177.193 -1.452 1
1 352 . 16 1 1 A 32 32 LYS CA C 32 56.239 59.254 -3.015 1
1 353 . 16 1 1 A 32 32 LYS CB C 32 32.016 33.028 -1.012 1
1 357 . 16 1 1 A 32 32 LYS N N 32 117.463 124.266 -6.803 1
1 358 . 16 1 1 A 33 33 ASN H H 33 7.870 8.164 -0.294 1
1 359 . 16 1 1 A 33 33 ASN HA H 33 4.807 4.918 -0.111 1
1 364 . 16 1 1 A 33 33 ASN C C 33 173.681 175.414 -1.733 1
1 365 . 16 1 1 A 33 33 ASN CA C 33 52.551 52.060 0.491 1
1 366 . 16 1 1 A 33 33 ASN CB C 33 39.830 40.052 -0.222 1
1 367 . 16 1 1 A 33 33 ASN N N 33 117.522 116.976 0.546 1
1 369 . 16 1 1 A 34 34 TRP H H 34 8.704 8.926 -0.222 1
1 370 . 16 1 1 A 34 34 TRP HA H 34 4.807 5.187 -0.380 1
1 379 . 16 1 1 A 34 34 TRP C C 34 176.129 175.956 0.173 1
1 380 . 16 1 1 A 34 34 TRP CA C 34 56.540 56.420 0.120 1
1 381 . 16 1 1 A 34 34 TRP CB C 34 31.399 32.183 -0.784 1
1 387 . 16 1 1 A 34 34 TRP N N 34 121.620 120.439 1.181 1
1 389 . 16 1 1 A 35 35 LYS H H 35 8.457 8.799 -0.342 1
1 390 . 16 1 1 A 35 35 LYS HA H 35 4.876 4.904 -0.028 1
1 399 . 16 1 1 A 35 35 LYS C C 35 176.081 175.978 0.103 1
1 400 . 16 1 1 A 35 35 LYS CA C 35 54.298 55.152 -0.854 1
1 401 . 16 1 1 A 35 35 LYS CB C 35 36.498 36.078 0.420 1
1 405 . 16 1 1 A 35 35 LYS N N 35 120.816 119.040 1.776 1
1 406 . 16 1 1 A 36 36 VAL H H 36 8.974 8.818 0.156 1
1 407 . 16 1 1 A 36 36 VAL HA H 36 4.254 4.433 -0.179 1
1 415 . 16 1 1 A 36 36 VAL C C 36 176.808 175.770 1.038 1
1 416 . 16 1 1 A 36 36 VAL CA C 36 63.828 63.170 0.658 1
1 417 . 16 1 1 A 36 36 VAL CB C 36 31.687 32.343 -0.656 1
1 420 . 16 1 1 A 36 36 VAL N N 36 123.825 125.246 -1.421 1
1 421 . 16 1 1 A 37 37 ARG H H 37 9.327 9.111 0.216 1
1 422 . 16 1 1 A 37 37 ARG HA H 37 4.930 4.965 -0.035 1
1 427 . 16 1 1 A 37 37 ARG C C 37 173.815 174.343 -0.528 1
1 428 . 16 1 1 A 37 37 ARG CA C 37 54.351 54.513 -0.162 1
1 429 . 16 1 1 A 37 37 ARG CB C 37 34.709 34.337 0.372 1
1 432 . 16 1 1 A 37 37 ARG N N 37 128.926 125.359 3.567 1
1 433 . 16 1 1 A 38 38 LYS H H 38 8.714 8.454 0.260 1
1 434 . 16 1 1 A 38 38 LYS HA H 38 4.959 5.031 -0.072 1
1 443 . 16 1 1 A 38 38 LYS C C 38 175.075 174.888 0.187 1
1 444 . 16 1 1 A 38 38 LYS CA C 38 55.869 55.676 0.193 1
1 445 . 16 1 1 A 38 38 LYS CB C 38 34.072 33.877 0.195 1
1 449 . 16 1 1 A 38 38 LYS N N 38 121.669 122.947 -1.278 1
1 450 . 16 1 1 A 39 39 PHE H H 39 9.751 9.875 -0.124 1
1 451 . 16 1 1 A 39 39 PHE HA H 39 5.591 5.266 0.325 1
1 459 . 16 1 1 A 39 39 PHE C C 39 175.414 174.658 0.756 1
1 460 . 16 1 1 A 39 39 PHE CA C 39 57.474 56.752 0.722 1
1 461 . 16 1 1 A 39 39 PHE CB C 39 42.667 40.686 1.981 1
1 467 . 16 1 1 A 39 39 PHE N N 39 127.216 125.530 1.686 1
1 468 . 16 1 1 A 40 40 ILE H H 40 9.246 10.017 -0.771 1
1 469 . 16 1 1 A 40 40 ILE HA H 40 4.864 5.160 -0.296 1
1 479 . 16 1 1 A 40 40 ILE C C 40 174.724 174.457 0.267 1
1 480 . 16 1 1 A 40 40 ILE CA C 40 62.134 60.297 1.837 1
1 481 . 16 1 1 A 40 40 ILE CB C 40 41.022 39.799 1.223 1
1 485 . 16 1 1 A 40 40 ILE N N 40 119.337 124.554 -5.217 1
1 486 . 16 1 1 A 41 41 LEU H H 41 9.549 9.239 0.310 1
1 487 . 16 1 1 A 41 41 LEU HA H 41 5.485 5.395 0.090 1
1 497 . 16 1 1 A 41 41 LEU C C 41 174.457 175.289 -0.832 1
1 498 . 16 1 1 A 41 41 LEU CA C 41 54.004 53.840 0.164 1
1 499 . 16 1 1 A 41 41 LEU CB C 41 45.299 45.480 -0.181 1
1 503 . 16 1 1 A 41 41 LEU N N 41 132.451 130.801 1.650 1
1 504 . 16 1 1 A 42 42 ARG H H 42 9.383 9.301 0.082 1
1 505 . 16 1 1 A 42 42 ARG HA H 42 5.492 5.306 0.186 1
1 513 . 16 1 1 A 42 42 ARG C C 42 174.893 175.436 -0.543 1
1 514 . 16 1 1 A 42 42 ARG CA C 42 54.421 54.716 -0.295 1
1 515 . 16 1 1 A 42 42 ARG CB C 42 35.470 33.684 1.786 1
1 518 . 16 1 1 A 42 42 ARG N N 42 128.467 124.838 3.629 1
1 520 . 16 1 1 A 43 43 GLU H H 43 8.259 8.655 -0.396 1
1 521 . 16 1 1 A 43 43 GLU HA H 43 4.366 4.801 -0.435 1
1 526 . 16 1 1 A 43 43 GLU C C 43 174.893 175.925 -1.032 1
1 527 . 16 1 1 A 43 43 GLU CA C 43 54.898 55.710 -0.812 1
1 528 . 16 1 1 A 43 43 GLU CB C 43 33.102 31.075 2.027 1
1 530 . 16 1 1 A 43 43 GLU N N 43 115.434 120.669 -5.235 1
1 531 . 16 1 1 A 44 44 ASP H H 44 7.870 9.063 -1.193 1
1 532 . 16 1 1 A 44 44 ASP HA H 44 4.433 4.295 0.138 1
1 535 . 16 1 1 A 44 44 ASP C C 44 172.991 174.293 -1.302 1
1 536 . 16 1 1 A 44 44 ASP CA C 44 53.892 54.971 -1.079 1
1 537 . 16 1 1 A 44 44 ASP CB C 44 41.146 39.630 1.516 1
1 538 . 16 1 1 A 44 44 ASP N N 44 114.444 120.166 -5.722 1
1 539 . 16 1 1 A 45 45 PRO HA H 45 4.710 4.605 0.105 1
1 546 . 16 1 1 A 45 45 PRO C C 45 176.747 175.725 1.022 1
1 547 . 16 1 1 A 45 45 PRO CA C 45 63.246 62.658 0.588 1
1 548 . 16 1 1 A 45 45 PRO CB C 45 34.977 32.720 2.257 1
1 551 . 16 1 1 A 46 46 ALA H H 46 8.356 8.295 0.061 1
1 552 . 16 1 1 A 46 46 ALA HA H 46 5.049 4.715 0.334 1
1 556 . 16 1 1 A 46 46 ALA C C 46 175.499 176.155 -0.656 1
1 557 . 16 1 1 A 46 46 ALA CA C 46 51.545 50.984 0.561 1
1 558 . 16 1 1 A 46 46 ALA CB C 46 19.655 19.448 0.207 1
1 559 . 16 1 1 A 46 46 ALA N N 46 122.969 123.738 -0.769 1
1 560 . 16 1 1 A 47 47 TYR H H 47 8.047 9.320 -1.273 1
1 561 . 16 1 1 A 47 47 TYR HA H 47 5.097 5.250 -0.153 1
1 568 . 16 1 1 A 47 47 TYR C C 47 173.730 174.536 -0.806 1
1 569 . 16 1 1 A 47 47 TYR CA C 47 57.563 56.490 1.073 1
1 570 . 16 1 1 A 47 47 TYR CB C 47 45.711 43.530 2.181 1
1 575 . 16 1 1 A 47 47 TYR N N 47 126.550 121.010 5.540 1
1 576 . 16 1 1 A 48 48 LEU H H 48 8.776 8.513 0.263 1
1 577 . 16 1 1 A 48 48 LEU HA H 48 5.578 5.290 0.288 1
1 587 . 16 1 1 A 48 48 LEU C C 48 175.039 174.888 0.151 1
1 588 . 16 1 1 A 48 48 LEU CA C 48 53.134 54.046 -0.912 1
1 589 . 16 1 1 A 48 48 LEU CB C 48 46.369 45.325 1.044 1
1 593 . 16 1 1 A 48 48 LEU N N 48 120.864 122.937 -2.073 1
1 594 . 16 1 1 A 49 49 HIS H H 49 8.974 9.295 -0.321 1
1 595 . 16 1 1 A 49 49 HIS HA H 49 5.181 5.176 0.005 1
1 600 . 16 1 1 A 49 49 HIS C C 49 174.712 174.234 0.478 1
1 601 . 16 1 1 A 49 49 HIS CA C 49 57.916 54.656 3.260 1
1 602 . 16 1 1 A 49 49 HIS CB C 49 35.347 32.220 3.127 1
1 605 . 16 1 1 A 49 49 HIS N N 49 124.417 126.242 -1.825 1
1 606 . 16 1 1 A 50 50 TYR H H 50 7.348 7.651 -0.303 1
1 607 . 16 1 1 A 50 50 TYR HA H 50 5.909 5.680 0.229 1
1 614 . 16 1 1 A 50 50 TYR C C 50 174.239 172.799 1.440 1
1 615 . 16 1 1 A 50 50 TYR CA C 50 53.610 54.829 -1.219 1
1 616 . 16 1 1 A 50 50 TYR CB C 50 40.077 41.673 -1.596 1
1 621 . 16 1 1 A 50 50 TYR N N 50 114.323 118.280 -3.957 1
1 622 . 16 1 1 A 51 51 TYR H H 51 9.230 9.088 0.142 1
1 623 . 16 1 1 A 51 51 TYR HA H 51 4.555 4.921 -0.366 1
1 630 . 16 1 1 A 51 51 TYR C C 51 175.572 174.499 1.073 1
1 631 . 16 1 1 A 51 51 TYR CA C 51 57.175 56.104 1.071 1
1 632 . 16 1 1 A 51 51 TYR CB C 51 42.709 42.492 0.217 1
1 637 . 16 1 1 A 51 51 TYR N N 51 117.695 119.121 -1.426 1
1 638 . 16 1 1 A 52 52 ASP H H 52 9.390 8.645 0.745 1
1 639 . 16 1 1 A 52 52 ASP HA H 52 4.937 4.775 0.162 1
1 642 . 16 1 1 A 52 52 ASP CA C 52 52.057 52.164 -0.107 1
1 643 . 16 1 1 A 52 52 ASP CB C 52 42.197 41.657 0.540 1
1 644 . 16 1 1 A 52 52 ASP N N 52 123.964 124.186 -0.222 1
1 645 . 16 1 1 A 53 53 PRO HA H 53 4.274 4.410 -0.136 1
1 652 . 16 1 1 A 53 53 PRO C C 53 176.360 178.327 -1.967 1
1 653 . 16 1 1 A 53 53 PRO CA C 53 64.728 65.552 -0.824 1
1 654 . 16 1 1 A 53 53 PRO CB C 53 32.016 31.988 0.028 1
1 657 . 16 1 1 A 54 54 ALA H H 54 8.384 8.138 0.246 1
1 658 . 16 1 1 A 54 54 ALA HA H 54 4.492 4.118 0.374 1
1 662 . 16 1 1 A 54 54 ALA C C 54 177.620 178.036 -0.416 1
1 663 . 16 1 1 A 54 54 ALA CA C 54 52.022 53.425 -1.403 1
1 664 . 16 1 1 A 54 54 ALA CB C 54 19.202 19.364 -0.162 1
1 665 . 16 1 1 A 54 54 ALA N N 54 120.140 119.176 0.964 1
1 666 . 16 1 1 A 55 55 GLY H H 55 7.710 7.949 -0.239 1
1 667 . 16 1 1 A 55 55 GLY HA2 H 55 4.194 4.023 0.171 1
1 668 . 16 1 1 A 55 55 GLY HA3 H 55 3.833 4.024 -0.191 1
1 669 . 16 1 1 A 55 55 GLY C C 55 173.524 172.240 1.284 1
1 670 . 16 1 1 A 55 55 GLY CA C 55 45.421 44.989 0.432 1
1 671 . 16 1 1 A 55 55 GLY N N 55 107.828 103.959 3.869 1
1 672 . 16 1 1 A 56 56 ALA H H 56 8.339 8.287 0.052 1
1 673 . 16 1 1 A 56 56 ALA HA H 56 4.378 4.760 -0.382 1
1 677 . 16 1 1 A 56 56 ALA C C 56 177.741 176.515 1.226 1
1 678 . 16 1 1 A 56 56 ALA CA C 56 52.410 51.376 1.034 1
1 679 . 16 1 1 A 56 56 ALA CB C 56 19.843 22.899 -3.056 1
1 680 . 16 1 1 A 56 56 ALA N N 56 125.269 122.840 2.429 1
1 681 . 16 1 1 A 57 57 GLU H H 57 8.567 9.013 -0.446 1
1 682 . 16 1 1 A 57 57 GLU HA H 57 4.160 4.484 -0.324 1
1 687 . 16 1 1 A 57 57 GLU C C 57 176.335 175.950 0.385 1
1 688 . 16 1 1 A 57 57 GLU CA C 57 57.616 57.786 -0.170 1
1 689 . 16 1 1 A 57 57 GLU CB C 57 30.083 32.044 -1.961 1
1 691 . 16 1 1 A 57 57 GLU N N 57 119.341 118.282 1.059 1
1 692 . 16 1 1 A 58 58 ASP H H 58 7.718 7.814 -0.096 1
1 693 . 16 1 1 A 58 58 ASP HA H 58 5.010 4.994 0.016 1
1 696 . 16 1 1 A 58 58 ASP C C 58 173.209 174.304 -1.095 1
1 697 . 16 1 1 A 58 58 ASP CA C 58 52.128 51.851 0.277 1
1 698 . 16 1 1 A 58 58 ASP CB C 58 40.981 41.912 -0.931 1
1 699 . 16 1 1 A 58 58 ASP N N 58 118.499 116.238 2.261 1
1 700 . 16 1 1 A 59 59 PRO HA H 59 3.493 4.321 -0.828 1
1 707 . 16 1 1 A 59 59 PRO C C 59 177.111 177.316 -0.205 1
1 708 . 16 1 1 A 59 59 PRO CA C 59 63.069 62.235 0.834 1
1 709 . 16 1 1 A 59 59 PRO CB C 59 31.229 32.001 -0.772 1
1 712 . 16 1 1 A 60 60 LEU H H 60 8.770 8.354 0.416 1
1 713 . 16 1 1 A 60 60 LEU HA H 60 4.114 4.005 0.109 1
1 723 . 16 1 1 A 60 60 LEU C C 60 177.268 176.752 0.516 1
1 724 . 16 1 1 A 60 60 LEU CA C 60 55.181 57.376 -2.195 1
1 725 . 16 1 1 A 60 60 LEU CB C 60 42.750 42.298 0.452 1
1 729 . 16 1 1 A 60 60 LEU N N 60 121.907 120.642 1.265 1
1 730 . 16 1 1 A 61 61 GLY H H 61 6.472 6.301 0.171 1
1 731 . 16 1 1 A 61 61 GLY HA2 H 61 3.798 3.815 -0.017 1
1 732 . 16 1 1 A 61 61 GLY HA3 H 61 3.382 3.924 -0.542 1
1 733 . 16 1 1 A 61 61 GLY C C 61 169.367 170.407 -1.040 1
1 734 . 16 1 1 A 61 61 GLY CA C 61 45.033 45.502 -0.469 1
1 735 . 16 1 1 A 61 61 GLY N N 61 103.740 102.397 1.343 1
1 736 . 16 1 1 A 62 62 ALA H H 62 8.024 8.401 -0.377 1
1 737 . 16 1 1 A 62 62 ALA HA H 62 4.644 5.456 -0.812 1
1 741 . 16 1 1 A 62 62 ALA C C 62 176.226 175.451 0.775 1
1 742 . 16 1 1 A 62 62 ALA CA C 62 50.839 51.133 -0.294 1
1 743 . 16 1 1 A 62 62 ALA CB C 62 23.914 22.691 1.223 1
1 744 . 16 1 1 A 62 62 ALA N N 62 120.249 121.589 -1.340 1
1 745 . 16 1 1 A 63 63 ILE H H 63 8.810 8.855 -0.045 1
1 746 . 16 1 1 A 63 63 ILE HA H 63 4.119 4.867 -0.748 1
1 756 . 16 1 1 A 63 63 ILE C C 63 174.724 175.751 -1.027 1
1 757 . 16 1 1 A 63 63 ILE CA C 63 60.757 60.531 0.226 1
1 758 . 16 1 1 A 63 63 ILE CB C 63 40.319 40.055 0.264 1
1 762 . 16 1 1 A 63 63 ILE N N 63 122.110 119.560 2.550 1
1 763 . 16 1 1 A 64 64 HIS H H 64 9.073 9.116 -0.043 1
1 764 . 16 1 1 A 64 64 HIS HA H 64 3.948 4.559 -0.611 1
1 769 . 16 1 1 A 64 64 HIS C C 64 176.529 175.739 0.790 1
1 770 . 16 1 1 A 64 64 HIS CA C 64 54.951 57.305 -2.354 1
1 771 . 16 1 1 A 64 64 HIS CB C 64 30.494 30.736 -0.242 1
1 774 . 16 1 1 A 64 64 HIS N N 64 129.092 128.087 1.005 1
1 775 . 16 1 1 A 65 65 LEU H H 65 7.770 7.934 -0.164 1
1 776 . 16 1 1 A 65 65 LEU HA H 65 4.074 4.481 -0.407 1
1 786 . 16 1 1 A 65 65 LEU C C 65 176.808 177.348 -0.540 1
1 787 . 16 1 1 A 65 65 LEU CA C 65 54.951 54.553 0.398 1
1 788 . 16 1 1 A 65 65 LEU CB C 65 42.667 41.778 0.889 1
1 792 . 16 1 1 A 65 65 LEU N N 65 124.760 128.255 -3.495 1
1 793 . 16 1 1 A 66 66 ARG H H 66 6.515 7.166 -0.651 1
1 794 . 16 1 1 A 66 66 ARG HA H 66 4.085 3.730 0.355 1
1 801 . 16 1 1 A 66 66 ARG C C 66 178.638 177.584 1.054 1
1 802 . 16 1 1 A 66 66 ARG CA C 66 58.092 59.086 -0.994 1
1 803 . 16 1 1 A 66 66 ARG CB C 66 29.525 29.240 0.285 1
1 806 . 16 1 1 A 66 66 ARG N N 66 120.462 120.998 -0.536 1
1 807 . 16 1 1 A 67 67 GLY H H 67 9.300 7.664 1.636 1
1 808 . 16 1 1 A 67 67 GLY HA2 H 67 4.045 3.950 0.095 1
1 809 . 16 1 1 A 67 67 GLY HA3 H 67 3.826 3.959 -0.133 1
1 810 . 16 1 1 A 67 67 GLY C C 67 173.996 173.973 0.023 1
1 811 . 16 1 1 A 67 67 GLY CA C 67 46.162 45.489 0.673 1
1 812 . 16 1 1 A 67 67 GLY N N 67 118.040 106.688 11.352 1
1 813 . 16 1 1 A 68 68 CYS H H 68 7.789 7.607 0.182 1
1 814 . 16 1 1 A 68 68 CYS HA H 68 4.779 4.407 0.372 1
1 817 . 16 1 1 A 68 68 CYS C C 68 173.148 174.032 -0.884 1
1 818 . 16 1 1 A 68 68 CYS CA C 68 57.545 58.912 -1.367 1
1 819 . 16 1 1 A 68 68 CYS CB C 68 28.644 29.091 -0.447 1
1 820 . 16 1 1 A 68 68 CYS N N 68 116.032 118.618 -2.586 1
1 821 . 16 1 1 A 69 69 VAL H H 69 8.665 9.637 -0.972 1
1 822 . 16 1 1 A 69 69 VAL HA H 69 4.364 4.840 -0.476 1
1 830 . 16 1 1 A 69 69 VAL C C 69 174.154 174.849 -0.695 1
1 831 . 16 1 1 A 69 69 VAL CA C 69 61.464 60.672 0.792 1
1 832 . 16 1 1 A 69 69 VAL CB C 69 35.041 35.933 -0.892 1
1 835 . 16 1 1 A 69 69 VAL N N 69 120.327 121.184 -0.857 1
1 836 . 16 1 1 A 70 70 VAL H H 70 8.656 8.709 -0.053 1
1 837 . 16 1 1 A 70 70 VAL HA H 70 5.543 5.079 0.464 1
1 845 . 16 1 1 A 70 70 VAL C C 70 174.105 175.031 -0.926 1
1 846 . 16 1 1 A 70 70 VAL CA C 70 59.028 61.014 -1.986 1
1 847 . 16 1 1 A 70 70 VAL CB C 70 34.237 34.153 0.084 1
1 850 . 16 1 1 A 70 70 VAL N N 70 124.719 125.633 -0.914 1
1 851 . 16 1 1 A 71 71 THR H H 71 8.883 8.634 0.249 1
1 852 . 16 1 1 A 71 71 THR HA H 71 4.724 4.768 -0.044 1
1 857 . 16 1 1 A 71 71 THR C C 71 173.087 172.053 1.034 1
1 858 . 16 1 1 A 71 71 THR CA C 71 59.875 60.504 -0.629 1
1 859 . 16 1 1 A 71 71 THR CB C 71 71.290 70.142 1.148 1
1 861 . 16 1 1 A 71 71 THR N N 71 120.107 120.577 -0.470 1
1 862 . 16 1 1 A 72 72 SER H H 72 8.706 8.746 -0.040 1
1 863 . 16 1 1 A 72 72 SER HA H 72 4.455 5.346 -0.891 1
1 866 . 16 1 1 A 72 72 SER C C 72 174.082 174.033 0.049 1
1 867 . 16 1 1 A 72 72 SER CA C 72 59.204 56.991 2.213 1
1 868 . 16 1 1 A 72 72 SER CB C 72 63.476 66.055 -2.579 1
1 869 . 16 1 1 A 72 72 SER N N 72 120.128 119.248 0.880 1
1 870 . 16 1 1 A 73 73 VAL H H 73 7.825 8.542 -0.717 1
1 871 . 16 1 1 A 73 73 VAL HA H 73 4.302 4.664 -0.362 1
1 879 . 16 1 1 A 73 73 VAL C C 73 175.160 175.639 -0.479 1
1 880 . 16 1 1 A 73 73 VAL CA C 73 62.010 59.939 2.071 1
1 881 . 16 1 1 A 73 73 VAL CB C 73 33.579 33.539 0.040 1
1 884 . 16 1 1 A 73 73 VAL N N 73 125.377 117.135 8.242 1
1 885 . 16 1 1 A 74 74 GLU H H 74 8.706 8.389 0.317 1
1 886 . 16 1 1 A 74 74 GLU HA H 74 4.544 4.773 -0.229 1
1 891 . 16 1 1 A 74 74 GLU C C 74 176.420 177.553 -1.133 1
1 892 . 16 1 1 A 74 74 GLU CA C 74 55.622 55.213 0.409 1
1 893 . 16 1 1 A 74 74 GLU CB C 74 30.741 29.534 1.207 1
1 895 . 16 1 1 A 74 74 GLU N N 74 126.564 121.344 5.220 1
1 896 . 16 1 1 A 75 75 SER H H 75 8.639 8.163 0.476 1
1 897 . 16 1 1 A 75 75 SER HA H 75 4.447 4.228 0.219 1
1 900 . 16 1 1 A 75 75 SER C C 75 174.299 174.592 -0.293 1
1 901 . 16 1 1 A 75 75 SER CA C 75 58.339 61.617 -3.278 1
1 902 . 16 1 1 A 75 75 SER CB C 75 64.170 63.061 1.109 1
1 903 . 16 1 1 A 75 75 SER N N 75 117.961 116.109 1.852 1
1 904 . 16 1 1 A 76 76 ASN H H 76 8.672 7.991 0.681 1
1 905 . 16 1 1 A 76 76 ASN HA H 76 4.795 4.466 0.329 1
1 910 . 16 1 1 A 76 76 ASN C C 76 175.584 176.027 -0.443 1
1 911 . 16 1 1 A 76 76 ASN CA C 76 53.292 53.789 -0.497 1
1 912 . 16 1 1 A 76 76 ASN CB C 76 39.089 36.883 2.206 1
1 913 . 16 1 1 A 76 76 ASN N N 76 121.138 115.970 5.168 1
1 915 . 16 1 1 A 78 78 ASN HA H 78 4.635 4.562 0.073 1
1 920 . 16 1 1 A 78 78 ASN C C 78 175.681 175.036 0.645 1
1 921 . 16 1 1 A 78 78 ASN CA C 78 53.610 53.764 -0.154 1
1 922 . 16 1 1 A 78 78 ASN CB C 78 38.496 38.892 -0.396 1
1 924 . 16 1 1 A 79 79 GLY H H 79 8.356 8.323 0.033 1
1 925 . 16 1 1 A 79 79 GLY HA2 H 79 3.821 4.137 -0.316 1
1 926 . 16 1 1 A 79 79 GLY HA3 H 79 4.011 4.138 -0.127 1
1 927 . 16 1 1 A 79 79 GLY C C 79 174.154 174.205 -0.051 1
1 928 . 16 1 1 A 79 79 GLY CA C 79 45.563 45.519 0.044 1
1 929 . 16 1 1 A 79 79 GLY N N 79 108.284 111.939 -3.655 1
1 930 . 16 1 1 A 80 80 ARG H H 80 7.919 8.626 -0.707 1
1 931 . 16 1 1 A 80 80 ARG HA H 80 4.344 3.893 0.451 1
1 938 . 16 1 1 A 80 80 ARG C C 80 176.117 175.294 0.823 1
1 939 . 16 1 1 A 80 80 ARG CA C 80 55.905 58.462 -2.557 1
1 940 . 16 1 1 A 80 80 ARG CB C 80 30.782 28.847 1.935 1
1 943 . 16 1 1 A 80 80 ARG N N 80 120.470 114.075 6.395 1
1 944 . 16 1 1 A 81 81 LYS H H 81 8.427 8.263 0.164 1
1 945 . 16 1 1 A 81 81 LYS HA H 81 4.350 4.656 -0.306 1
1 954 . 16 1 1 A 81 81 LYS C C 81 176.808 177.576 -0.768 1
1 955 . 16 1 1 A 81 81 LYS CA C 81 56.416 54.939 1.477 1
1 956 . 16 1 1 A 81 81 LYS CB C 81 32.797 34.536 -1.739 1
1 960 . 16 1 1 A 81 81 LYS N N 81 122.963 120.226 2.737 1
1 961 . 16 1 1 A 82 82 SER H H 82 8.440 8.723 -0.283 1
1 962 . 16 1 1 A 82 82 SER HA H 82 4.380 4.116 0.264 1
1 965 . 16 1 1 A 82 82 SER C C 82 174.833 174.304 0.529 1
1 966 . 16 1 1 A 82 82 SER CA C 82 58.763 61.405 -2.642 1
1 967 . 16 1 1 A 82 82 SER CB C 82 63.723 63.285 0.438 1
1 968 . 16 1 1 A 82 82 SER N N 82 118.053 117.377 0.676 1
1 969 . 16 1 1 A 83 83 GLU H H 83 8.648 7.921 0.727 1
1 970 . 16 1 1 A 83 83 GLU HA H 83 4.233 3.908 0.325 1
1 975 . 16 1 1 A 83 83 GLU C C 83 176.311 175.256 1.055 1
1 976 . 16 1 1 A 83 83 GLU CA C 83 57.104 59.320 -2.216 1
1 977 . 16 1 1 A 83 83 GLU CB C 83 29.795 27.812 1.983 1
1 979 . 16 1 1 A 83 83 GLU N N 83 121.793 118.264 3.529 1
1 980 . 16 1 1 A 84 84 GLU H H 84 8.088 8.841 -0.753 1
1 981 . 16 1 1 A 84 84 GLU HA H 84 4.161 4.608 -0.447 1
1 986 . 16 1 1 A 84 84 GLU C C 84 175.523 175.685 -0.162 1
1 987 . 16 1 1 A 84 84 GLU CA C 84 56.275 54.871 1.404 1
1 988 . 16 1 1 A 84 84 GLU CB C 84 30.165 32.253 -2.088 1
1 990 . 16 1 1 A 84 84 GLU N N 84 119.385 118.864 0.521 1
1 991 . 16 1 1 A 85 85 GLU H H 85 7.907 8.419 -0.512 1
1 992 . 16 1 1 A 85 85 GLU HA H 85 4.350 4.433 -0.083 1
1 997 . 16 1 1 A 85 85 GLU C C 85 175.002 175.929 -0.927 1
1 998 . 16 1 1 A 85 85 GLU CA C 85 55.569 55.968 -0.399 1
1 999 . 16 1 1 A 85 85 GLU CB C 85 32.098 31.010 1.088 1
1 1001 . 16 1 1 A 85 85 GLU N N 85 120.414 123.993 -3.579 1
1 1002 . 16 1 1 A 86 86 ASN H H 86 8.569 8.497 0.072 1
1 1003 . 16 1 1 A 86 86 ASN HA H 86 4.225 5.120 -0.895 1
1 1008 . 16 1 1 A 86 86 ASN C C 86 175.147 174.435 0.712 1
1 1009 . 16 1 1 A 86 86 ASN CA C 86 54.068 52.821 1.247 1
1 1010 . 16 1 1 A 86 86 ASN CB C 86 38.185 39.218 -1.033 1
1 1011 . 16 1 1 A 86 86 ASN N N 86 114.602 118.790 -4.188 1
1 1013 . 16 1 1 A 87 87 LEU H H 87 8.483 9.088 -0.605 1
1 1014 . 16 1 1 A 87 87 LEU HA H 87 5.186 5.351 -0.165 1
1 1024 . 16 1 1 A 87 87 LEU C C 87 178.480 175.755 2.725 1
1 1025 . 16 1 1 A 87 87 LEU CA C 87 55.128 53.103 2.025 1
1 1026 . 16 1 1 A 87 87 LEU CB C 87 44.559 45.432 -0.873 1
1 1030 . 16 1 1 A 87 87 LEU N N 87 121.334 125.098 -3.764 1
1 1031 . 16 1 1 A 88 88 PHE H H 88 9.512 7.884 1.628 1
1 1032 . 16 1 1 A 88 88 PHE HA H 88 5.156 4.880 0.276 1
1 1040 . 16 1 1 A 88 88 PHE C C 88 170.288 171.818 -1.530 1
1 1041 . 16 1 1 A 88 88 PHE CA C 88 56.787 56.209 0.578 1
1 1042 . 16 1 1 A 88 88 PHE CB C 88 41.763 40.647 1.116 1
1 1048 . 16 1 1 A 88 88 PHE N N 88 119.324 116.725 2.599 1
1 1049 . 16 1 1 A 89 89 GLU H H 89 9.028 8.675 0.353 1
1 1050 . 16 1 1 A 89 89 GLU HA H 89 5.293 5.257 0.036 1
1 1055 . 16 1 1 A 89 89 GLU C C 89 175.245 174.995 0.250 1
1 1056 . 16 1 1 A 89 89 GLU CA C 89 53.433 54.689 -1.256 1
1 1057 . 16 1 1 A 89 89 GLU CB C 89 34.566 32.309 2.257 1
1 1059 . 16 1 1 A 89 89 GLU N N 89 121.829 119.892 1.937 1
1 1060 . 16 1 1 A 90 90 ILE H H 90 8.655 8.412 0.243 1
1 1061 . 16 1 1 A 90 90 ILE HA H 90 4.793 4.716 0.077 1
1 1071 . 16 1 1 A 90 90 ILE C C 90 174.808 174.946 -0.138 1
1 1072 . 16 1 1 A 90 90 ILE CA C 90 59.857 60.856 -0.999 1
1 1073 . 16 1 1 A 90 90 ILE CB C 90 41.886 41.003 0.883 1
1 1077 . 16 1 1 A 90 90 ILE N N 90 123.446 125.804 -2.358 1
1 1078 . 16 1 1 A 91 91 ILE H H 91 9.199 8.826 0.373 1
1 1079 . 16 1 1 A 91 91 ILE HA H 91 4.724 4.847 -0.123 1
1 1089 . 16 1 1 A 91 91 ILE C C 91 177.898 176.190 1.708 1
1 1090 . 16 1 1 A 91 91 ILE CA C 91 60.211 60.644 -0.433 1
1 1091 . 16 1 1 A 91 91 ILE CB C 91 39.043 38.179 0.864 1
1 1095 . 16 1 1 A 91 91 ILE N N 91 126.827 128.577 -1.750 1
1 1096 . 16 1 1 A 92 92 THR H H 92 9.086 8.258 0.828 1
1 1097 . 16 1 1 A 92 92 THR HA H 92 4.314 4.787 -0.473 1
1 1102 . 16 1 1 A 92 92 THR C C 92 176.857 174.717 2.140 1
1 1103 . 16 1 1 A 92 92 THR CA C 92 61.693 60.322 1.371 1
1 1104 . 16 1 1 A 92 92 THR CB C 92 70.920 69.348 1.572 1
1 1106 . 16 1 1 A 92 92 THR N N 92 117.131 117.271 -0.140 1
1 1107 . 16 1 1 A 93 93 ALA H H 93 9.192 8.704 0.488 1
1 1108 . 16 1 1 A 93 93 ALA HA H 93 4.101 4.079 0.022 1
1 1112 . 16 1 1 A 93 93 ALA C C 93 178.008 177.971 0.037 1
1 1113 . 16 1 1 A 93 93 ALA CA C 93 54.634 54.419 0.215 1
1 1114 . 16 1 1 A 93 93 ALA CB C 93 18.198 18.319 -0.121 1
1 1115 . 16 1 1 A 93 93 ALA N N 93 123.540 123.078 0.462 1
1 1116 . 16 1 1 A 94 94 ASP H H 94 7.979 7.735 0.244 1
1 1117 . 16 1 1 A 94 94 ASP HA H 94 4.724 4.740 -0.016 1
1 1120 . 16 1 1 A 94 94 ASP C C 94 174.324 175.541 -1.217 1
1 1121 . 16 1 1 A 94 94 ASP CA C 94 53.098 53.735 -0.637 1
1 1122 . 16 1 1 A 94 94 ASP CB C 94 39.336 41.078 -1.742 1
1 1123 . 16 1 1 A 94 94 ASP N N 94 113.209 116.111 -2.902 1
1 1124 . 16 1 1 A 95 95 GLU H H 95 8.152 7.775 0.377 1
1 1125 . 16 1 1 A 95 95 GLU HA H 95 3.430 3.811 -0.381 1
1 1130 . 16 1 1 A 95 95 GLU C C 95 174.578 175.457 -0.879 1
1 1131 . 16 1 1 A 95 95 GLU CA C 95 57.687 57.975 -0.288 1
1 1132 . 16 1 1 A 95 95 GLU CB C 95 26.300 27.511 -1.211 1
1 1134 . 16 1 1 A 95 95 GLU N N 95 114.010 115.614 -1.604 1
1 1135 . 16 1 1 A 96 96 VAL H H 96 7.595 7.291 0.304 1
1 1136 . 16 1 1 A 96 96 VAL HA H 96 4.063 3.889 0.174 1
1 1144 . 16 1 1 A 96 96 VAL C C 96 175.293 175.060 0.233 1
1 1145 . 16 1 1 A 96 96 VAL CA C 96 62.751 63.058 -0.307 1
1 1146 . 16 1 1 A 96 96 VAL CB C 96 31.440 31.531 -0.091 1
1 1149 . 16 1 1 A 96 96 VAL N N 96 120.925 120.258 0.667 1
1 1150 . 16 1 1 A 97 97 HIS H H 97 8.603 9.113 -0.510 1
1 1151 . 16 1 1 A 97 97 HIS HA H 97 5.234 5.201 0.033 1
1 1156 . 16 1 1 A 97 97 HIS C C 97 174.348 173.700 0.648 1
1 1157 . 16 1 1 A 97 97 HIS CA C 97 54.404 53.721 0.683 1
1 1158 . 16 1 1 A 97 97 HIS CB C 97 30.536 32.004 -1.468 1
1 1161 . 16 1 1 A 97 97 HIS N N 97 124.160 126.668 -2.508 1
1 1162 . 16 1 1 A 98 98 TYR H H 98 9.267 9.127 0.140 1
1 1163 . 16 1 1 A 98 98 TYR HA H 98 4.532 5.003 -0.471 1
1 1170 . 16 1 1 A 98 98 TYR C C 98 173.621 174.894 -1.273 1
1 1171 . 16 1 1 A 98 98 TYR CA C 98 57.122 56.571 0.551 1
1 1172 . 16 1 1 A 98 98 TYR CB C 98 41.228 41.974 -0.746 1
1 1177 . 16 1 1 A 98 98 TYR N N 98 121.543 120.534 1.009 1
1 1178 . 16 1 1 A 99 99 PHE H H 99 8.861 9.197 -0.336 1
1 1179 . 16 1 1 A 99 99 PHE HA H 99 4.983 5.447 -0.464 1
1 1186 . 16 1 1 A 99 99 PHE C C 99 173.754 174.520 -0.766 1
1 1187 . 16 1 1 A 99 99 PHE CA C 99 57.705 56.568 1.137 1
1 1188 . 16 1 1 A 99 99 PHE CB C 99 41.516 40.094 1.422 1
1 1193 . 16 1 1 A 99 99 PHE N N 99 121.699 122.525 -0.826 1
1 1194 . 16 1 1 A 100 100 LEU H H 100 8.529 8.064 0.465 1
1 1195 . 16 1 1 A 100 100 LEU HA H 100 5.345 5.553 -0.208 1
1 1205 . 16 1 1 A 100 100 LEU C C 100 174.942 174.954 -0.012 1
1 1206 . 16 1 1 A 100 100 LEU CA C 100 52.781 52.788 -0.007 1
1 1207 . 16 1 1 A 100 100 LEU CB C 100 44.518 44.538 -0.020 1
1 1211 . 16 1 1 A 100 100 LEU N N 100 123.519 124.837 -1.318 1
1 1212 . 16 1 1 A 101 101 GLN H H 101 8.717 8.845 -0.128 1
1 1213 . 16 1 1 A 101 101 GLN HA H 101 4.886 4.782 0.104 1
1 1220 . 16 1 1 A 101 101 GLN C C 101 175.390 174.539 0.851 1
1 1221 . 16 1 1 A 101 101 GLN CA C 101 54.934 54.228 0.706 1
1 1222 . 16 1 1 A 101 101 GLN CB C 101 32.222 30.905 1.317 1
1 1224 . 16 1 1 A 101 101 GLN N N 101 117.786 122.699 -4.913 1
1 1226 . 16 1 1 A 102 102 ALA H H 102 8.256 9.958 -1.702 1
1 1227 . 16 1 1 A 102 102 ALA HA H 102 4.862 4.765 0.097 1
1 1231 . 16 1 1 A 102 102 ALA C C 102 176.008 178.002 -1.994 1
1 1232 . 16 1 1 A 102 102 ALA CA C 102 50.098 51.419 -1.321 1
1 1233 . 16 1 1 A 102 102 ALA CB C 102 21.606 20.314 1.292 1
1 1234 . 16 1 1 A 102 102 ALA N N 102 128.068 130.038 -1.970 1
1 1235 . 16 1 1 A 103 103 ALA H H 103 9.255 8.827 0.428 1
1 1236 . 16 1 1 A 103 103 ALA HA H 103 4.247 4.068 0.179 1
1 1240 . 16 1 1 A 103 103 ALA C C 103 178.153 177.833 0.320 1
1 1241 . 16 1 1 A 103 103 ALA CA C 103 54.369 56.041 -1.672 1
1 1242 . 16 1 1 A 103 103 ALA CB C 103 20.377 18.789 1.588 1
1 1243 . 16 1 1 A 103 103 ALA N N 103 120.410 126.273 -5.863 1
1 1244 . 16 1 1 A 104 104 THR H H 104 7.149 7.825 -0.676 1
1 1245 . 16 1 1 A 104 104 THR HA H 104 4.846 4.672 0.174 1
1 1250 . 16 1 1 A 104 104 THR C C 104 173.354 173.954 -0.600 1
1 1251 . 16 1 1 A 104 104 THR CA C 104 57.810 59.210 -1.400 1
1 1252 . 16 1 1 A 104 104 THR CB C 104 71.496 70.225 1.271 1
1 1254 . 16 1 1 A 104 104 THR N N 104 103.106 109.052 -5.946 1
1 1255 . 16 1 1 A 105 105 PRO HA H 105 4.225 4.604 -0.379 1
1 1262 . 16 1 1 A 105 105 PRO C C 105 179.704 178.069 1.635 1
1 1263 . 16 1 1 A 105 105 PRO CA C 105 65.046 64.204 0.842 1
1 1264 . 16 1 1 A 105 105 PRO CB C 105 31.775 31.831 -0.056 1
1 1267 . 16 1 1 A 106 106 LYS H H 106 7.764 7.952 -0.188 1
1 1268 . 16 1 1 A 106 106 LYS HA H 106 4.036 4.112 -0.076 1
1 1277 . 16 1 1 A 106 106 LYS C C 106 177.959 178.838 -0.879 1
1 1278 . 16 1 1 A 106 106 LYS CA C 106 59.452 59.166 0.286 1
1 1279 . 16 1 1 A 106 106 LYS CB C 106 32.797 32.334 0.463 1
1 1283 . 16 1 1 A 106 106 LYS N N 106 119.261 118.393 0.868 1
1 1284 . 16 1 1 A 107 107 GLU H H 107 8.005 7.749 0.256 1
1 1285 . 16 1 1 A 107 107 GLU HA H 107 4.171 4.047 0.124 1
1 1290 . 16 1 1 A 107 107 GLU C C 107 178.529 178.772 -0.243 1
1 1291 . 16 1 1 A 107 107 GLU CA C 107 59.310 59.206 0.104 1
1 1292 . 16 1 1 A 107 107 GLU CB C 107 31.111 29.163 1.948 1
1 1294 . 16 1 1 A 107 107 GLU N N 107 119.293 119.278 0.015 1
1 1295 . 16 1 1 A 108 108 ARG H H 108 7.810 7.408 0.402 1
1 1296 . 16 1 1 A 108 108 ARG HA H 108 3.603 4.109 -0.506 1
1 1303 . 16 1 1 A 108 108 ARG C C 108 176.287 178.879 -2.592 1
1 1304 . 16 1 1 A 108 108 ARG CA C 108 60.598 59.101 1.497 1
1 1305 . 16 1 1 A 108 108 ARG CB C 108 29.548 29.857 -0.309 1
1 1308 . 16 1 1 A 108 108 ARG N N 108 118.989 120.328 -1.339 1
1 1309 . 16 1 1 A 109 109 THR H H 109 8.195 8.155 0.040 1
1 1310 . 16 1 1 A 109 109 THR HA H 109 3.645 3.759 -0.114 1
1 1315 . 16 1 1 A 109 109 THR C C 109 176.227 176.844 -0.617 1
1 1316 . 16 1 1 A 109 109 THR CA C 109 67.022 67.419 -0.397 1
1 1317 . 16 1 1 A 109 109 THR CB C 109 68.576 68.023 0.553 1
1 1319 . 16 1 1 A 109 109 THR N N 109 115.975 116.429 -0.454 1
1 1320 . 16 1 1 A 110 110 GLU H H 110 8.274 8.357 -0.083 1
1 1321 . 16 1 1 A 110 110 GLU HA H 110 3.794 3.880 -0.086 1
1 1326 . 16 1 1 A 110 110 GLU C C 110 180.516 179.461 1.055 1
1 1327 . 16 1 1 A 110 110 GLU CA C 110 59.534 59.716 -0.182 1
1 1328 . 16 1 1 A 110 110 GLU CB C 110 29.507 29.119 0.388 1
1 1330 . 16 1 1 A 110 110 GLU N N 110 119.565 119.882 -0.317 1
1 1331 . 16 1 1 A 111 111 TRP H H 111 8.316 8.861 -0.545 1
1 1332 . 16 1 1 A 111 111 TRP HA H 111 3.912 4.269 -0.357 1
1 1341 . 16 1 1 A 111 111 TRP C C 111 178.020 178.507 -0.487 1
1 1342 . 16 1 1 A 111 111 TRP CA C 111 62.464 60.065 2.399 1
1 1343 . 16 1 1 A 111 111 TRP CB C 111 29.548 29.278 0.270 1
1 1349 . 16 1 1 A 111 111 TRP N N 111 120.868 120.504 0.364 1
1 1351 . 16 1 1 A 112 112 ILE H H 112 8.271 7.832 0.439 1
1 1352 . 16 1 1 A 112 112 ILE HA H 112 3.254 3.606 -0.352 1
1 1362 . 16 1 1 A 112 112 ILE C C 112 177.669 177.907 -0.238 1
1 1363 . 16 1 1 A 112 112 ILE CA C 112 67.040 65.003 2.037 1
1 1364 . 16 1 1 A 112 112 ILE CB C 112 37.856 37.602 0.254 1
1 1368 . 16 1 1 A 112 112 ILE N N 112 118.862 119.842 -0.980 1
1 1369 . 16 1 1 A 113 113 LYS H H 113 8.042 8.268 -0.226 1
1 1370 . 16 1 1 A 113 113 LYS HA H 113 3.991 4.063 -0.072 1
1 1379 . 16 1 1 A 113 113 LYS C C 113 178.977 179.097 -0.120 1
1 1380 . 16 1 1 A 113 113 LYS CA C 113 59.328 58.998 0.330 1
1 1381 . 16 1 1 A 113 113 LYS CB C 113 32.345 32.184 0.161 1
1 1385 . 16 1 1 A 113 113 LYS N N 113 117.182 119.842 -2.660 1
1 1386 . 16 1 1 A 114 114 ALA H H 114 7.686 8.507 -0.821 1
1 1387 . 16 1 1 A 114 114 ALA HA H 114 4.058 3.993 0.065 1
1 1391 . 16 1 1 A 114 114 ALA C C 114 179.849 179.760 0.089 1
1 1392 . 16 1 1 A 114 114 ALA CA C 114 55.146 55.101 0.045 1
1 1393 . 16 1 1 A 114 114 ALA CB C 114 18.362 18.721 -0.359 1
1 1394 . 16 1 1 A 114 114 ALA N N 114 120.689 122.413 -1.724 1
1 1395 . 16 1 1 A 115 115 ILE H H 115 8.594 9.276 -0.682 1
1 1396 . 16 1 1 A 115 115 ILE HA H 115 3.534 3.648 -0.114 1
1 1406 . 16 1 1 A 115 115 ILE C C 115 178.432 178.272 0.160 1
1 1407 . 16 1 1 A 115 115 ILE CA C 115 66.016 65.347 0.669 1
1 1408 . 16 1 1 A 115 115 ILE CB C 115 38.390 37.802 0.588 1
1 1412 . 16 1 1 A 115 115 ILE N N 115 118.898 117.679 1.219 1
1 1413 . 16 1 1 A 116 116 GLN H H 116 8.732 8.782 -0.050 1
1 1414 . 16 1 1 A 116 116 GLN HA H 116 3.851 4.242 -0.391 1
1 1421 . 16 1 1 A 116 116 GLN C C 116 179.655 178.294 1.361 1
1 1422 . 16 1 1 A 116 116 GLN CA C 116 59.575 58.943 0.632 1
1 1423 . 16 1 1 A 116 116 GLN CB C 116 28.222 28.474 -0.252 1
1 1425 . 16 1 1 A 116 116 GLN N N 116 119.877 118.939 0.938 1
1 1427 . 16 1 1 A 117 117 MET H H 117 8.279 8.056 0.223 1
1 1428 . 16 1 1 A 117 117 MET HA H 117 4.155 4.023 0.132 1
1 1436 . 16 1 1 A 117 117 MET C C 117 179.123 177.956 1.167 1
1 1437 . 16 1 1 A 117 117 MET CA C 117 58.658 58.403 0.255 1
1 1438 . 16 1 1 A 117 117 MET CB C 117 31.934 32.479 -0.545 1
1 1441 . 16 1 1 A 117 117 MET N N 117 118.855 119.170 -0.315 1
1 1442 . 16 1 1 A 118 118 ALA H H 118 8.266 7.622 0.644 1
1 1443 . 16 1 1 A 118 118 ALA HA H 118 4.240 4.076 0.164 1
1 1447 . 16 1 1 A 118 118 ALA C C 118 178.820 179.845 -1.025 1
1 1448 . 16 1 1 A 118 118 ALA CA C 118 54.604 55.208 -0.604 1
1 1449 . 16 1 1 A 118 118 ALA CB C 118 18.627 18.871 -0.244 1
1 1450 . 16 1 1 A 118 118 ALA N N 118 121.702 122.252 -0.550 1
1 1451 . 16 1 1 A 119 119 SER H H 119 8.073 8.900 -0.827 1
1 1452 . 16 1 1 A 119 119 SER HA H 119 4.027 4.345 -0.318 1
1 1455 . 16 1 1 A 119 119 SER C C 119 174.663 177.129 -2.466 1
1 1456 . 16 1 1 A 119 119 SER CA C 119 60.122 61.734 -1.612 1
1 1457 . 16 1 1 A 119 119 SER CB C 119 64.299 62.826 1.473 1
1 1458 . 16 1 1 A 119 119 SER N N 119 110.080 112.481 -2.401 1
1 1459 . 16 1 1 A 120 120 ARG H H 120 7.345 8.435 -1.090 1
1 1460 . 16 1 1 A 120 120 ARG HA H 120 4.383 4.110 0.273 1
1 1467 . 16 1 1 A 120 120 ARG C C 120 176.372 176.305 0.067 1
1 1468 . 16 1 1 A 120 120 ARG CA C 120 56.681 59.545 -2.864 1
1 1469 . 16 1 1 A 120 120 ARG CB C 120 30.248 30.080 0.168 1
1 1472 . 16 1 1 A 120 120 ARG N N 120 120.244 121.380 -1.136 1
1 1473 . 16 1 1 A 121 121 THR H H 121 8.070 8.305 -0.235 1
1 1474 . 16 1 1 A 121 121 THR HA H 121 4.365 4.026 0.339 1
1 1479 . 16 1 1 A 121 121 THR C C 121 175.281 174.215 1.066 1
1 1480 . 16 1 1 A 121 121 THR CA C 121 62.557 62.834 -0.277 1
1 1481 . 16 1 1 A 121 121 THR CB C 121 70.298 67.176 3.122 1
1 1483 . 16 1 1 A 121 121 THR N N 121 114.024 113.148 0.876 1
1 1484 . 16 1 1 A 122 122 GLY H H 122 8.520 8.434 0.086 1
1 1485 . 16 1 1 A 122 122 GLY HA2 H 122 4.005 3.944 0.061 1
1 1486 . 16 1 1 A 122 122 GLY HA3 H 122 4.005 3.945 0.060 1
1 1487 . 16 1 1 A 122 122 GLY C C 122 174.118 173.751 0.367 1
1 1488 . 16 1 1 A 122 122 GLY CA C 122 45.351 46.858 -1.507 1
1 1489 . 16 1 1 A 122 122 GLY N N 122 111.123 115.437 -4.314 1
1 1490 . 16 1 1 A 123 123 LYS H H 123 8.309 8.415 -0.106 1
1 1491 . 16 1 1 A 123 123 LYS HA H 123 4.364 4.181 0.183 1
1 1500 . 16 1 1 A 123 123 LYS C C 123 176.772 175.971 0.801 1
1 1501 . 16 1 1 A 123 123 LYS CA C 123 56.310 57.091 -0.781 1
1 1502 . 16 1 1 A 123 123 LYS CB C 123 33.167 32.970 0.197 1
1 1506 . 16 1 1 A 123 123 LYS N N 123 121.100 126.767 -5.667 1
1 1507 . 16 1 1 A 124 124 SER H H 124 8.453 8.550 -0.097 1
1 1508 . 16 1 1 A 124 124 SER HA H 124 4.489 4.403 0.086 1
1 1509 . 16 1 1 A 124 124 SER C C 124 174.518 174.913 -0.395 1
1 1510 . 16 1 1 A 124 124 SER CA C 124 58.357 59.010 -0.653 1
1 1511 . 16 1 1 A 124 124 SER CB C 124 64.052 63.367 0.685 1
1 1512 . 16 1 1 A 124 124 SER N N 124 117.316 120.282 -2.966 1
1 1513 . 16 1 1 A 125 125 GLY H H 125 8.278 8.407 -0.129 1
1 1514 . 16 1 1 A 125 125 GLY HA2 H 125 4.154 4.248 -0.094 1
1 1515 . 16 1 1 A 125 125 GLY HA3 H 125 4.102 4.248 -0.146 1
1 1516 . 16 1 1 A 125 125 GLY C C 125 171.827 174.297 -2.470 1
1 1517 . 16 1 1 A 125 125 GLY CA C 125 44.680 45.140 -0.460 1
1 1518 . 16 1 1 A 125 125 GLY N N 125 110.670 110.730 -0.060 1
1 1519 . 16 1 1 A 126 126 PRO HA H 126 4.461 4.434 0.027 1
1 1526 . 16 1 1 A 126 126 PRO C C 126 177.426 177.091 0.335 1
1 1527 . 16 1 1 A 126 126 PRO CA C 126 63.281 64.759 -1.478 1
1 1528 . 16 1 1 A 126 126 PRO CB C 126 32.263 32.135 0.128 1
1 1531 . 16 1 1 A 127 127 SER H H 127 8.556 7.950 0.606 1
1 1532 . 16 1 1 A 127 127 SER HA H 127 4.489 4.421 0.068 1
1 1535 . 16 1 1 A 127 127 SER C C 127 174.651 173.621 1.030 1
1 1536 . 16 1 1 A 127 127 SER CA C 127 58.410 57.262 1.148 1
1 1537 . 16 1 1 A 127 127 SER CB C 127 63.682 63.182 0.500 1
1 1538 . 16 1 1 A 127 127 SER N N 127 116.423 112.572 3.851 1
1 1539 . 16 1 1 A 128 128 SER H H 128 8.313 8.739 -0.426 1
1 1540 . 16 1 1 A 128 128 SER HA H 128 4.489 4.373 0.116 1
1 1543 . 16 1 1 A 128 128 SER C C 128 173.936 174.780 -0.844 1
1 1544 . 16 1 1 A 128 128 SER CA C 128 58.393 59.348 -0.955 1
1 1545 . 16 1 1 A 128 128 SER CB C 128 64.052 63.401 0.651 1
1 1546 . 16 1 1 A 128 128 SER N N 128 117.750 122.502 -4.752 1
1 1 . 17 1 1 A 6 6 SER HA H 6 4.475 5.023 -0.548 1
1 4 . 17 1 1 A 6 6 SER C C 6 174.978 173.935 1.043 1
1 5 . 17 1 1 A 6 6 SER CA C 6 58.657 56.675 1.982 1
1 6 . 17 1 1 A 6 6 SER CB C 6 63.682 64.699 -1.017 1
1 7 . 17 1 1 A 7 7 GLY H H 7 8.385 8.848 -0.463 1
1 8 . 17 1 1 A 7 7 GLY HA2 H 7 3.947 4.316 -0.369 1
1 9 . 17 1 1 A 7 7 GLY HA3 H 7 3.947 4.316 -0.369 1
1 10 . 17 1 1 A 7 7 GLY C C 7 173.900 171.835 2.065 1
1 11 . 17 1 1 A 7 7 GLY CA C 7 45.280 44.662 0.618 1
1 12 . 17 1 1 A 7 7 GLY N N 7 110.753 111.166 -0.413 1
1 13 . 17 1 1 A 8 8 VAL H H 8 7.896 9.609 -1.713 1
1 14 . 17 1 1 A 8 8 VAL HA H 8 4.046 4.648 -0.602 1
1 22 . 17 1 1 A 8 8 VAL C C 8 175.948 176.069 -0.121 1
1 23 . 17 1 1 A 8 8 VAL CA C 8 62.399 60.645 1.754 1
1 24 . 17 1 1 A 8 8 VAL CB C 8 32.904 33.976 -1.072 1
1 27 . 17 1 1 A 8 8 VAL N N 8 119.771 125.498 -5.727 1
1 28 . 17 1 1 A 9 9 ILE H H 9 8.253 8.435 -0.182 1
1 29 . 17 1 1 A 9 9 ILE HA H 9 4.103 4.112 -0.009 1
1 39 . 17 1 1 A 9 9 ILE C C 9 175.984 176.031 -0.047 1
1 40 . 17 1 1 A 9 9 ILE CA C 9 60.657 62.324 -1.667 1
1 41 . 17 1 1 A 9 9 ILE CB C 9 38.349 38.299 0.050 1
1 45 . 17 1 1 A 9 9 ILE N N 9 125.791 125.492 0.299 1
1 46 . 17 1 1 A 10 10 LEU H H 10 8.374 8.399 -0.025 1
1 47 . 17 1 1 A 10 10 LEU HA H 10 4.379 4.790 -0.411 1
1 57 . 17 1 1 A 10 10 LEU C C 10 177.171 175.862 1.309 1
1 58 . 17 1 1 A 10 10 LEU CA C 10 54.598 54.107 0.491 1
1 59 . 17 1 1 A 10 10 LEU CB C 10 42.873 44.056 -1.183 1
1 63 . 17 1 1 A 10 10 LEU N N 10 127.929 126.322 1.607 1
1 64 . 17 1 1 A 11 11 LYS H H 11 8.414 8.670 -0.256 1
1 65 . 17 1 1 A 11 11 LYS HA H 11 4.214 4.140 0.074 1
1 74 . 17 1 1 A 11 11 LYS C C 11 177.244 177.583 -0.339 1
1 75 . 17 1 1 A 11 11 LYS CA C 11 57.051 56.800 0.251 1
1 76 . 17 1 1 A 11 11 LYS CB C 11 33.332 32.910 0.422 1
1 80 . 17 1 1 A 11 11 LYS N N 11 123.211 127.005 -3.794 1
1 81 . 17 1 1 A 12 12 GLU H H 12 8.629 8.812 -0.183 1
1 82 . 17 1 1 A 12 12 GLU HA H 12 3.745 4.074 -0.329 1
1 87 . 17 1 1 A 12 12 GLU C C 12 177.366 178.901 -1.535 1
1 88 . 17 1 1 A 12 12 GLU CA C 12 59.663 59.041 0.622 1
1 89 . 17 1 1 A 12 12 GLU CB C 12 29.672 30.054 -0.382 1
1 91 . 17 1 1 A 12 12 GLU N N 12 122.998 122.139 0.859 1
1 92 . 17 1 1 A 13 13 GLU H H 13 8.043 8.743 -0.700 1
1 93 . 17 1 1 A 13 13 GLU HA H 13 3.333 4.268 -0.935 1
1 98 . 17 1 1 A 13 13 GLU C C 13 175.451 177.508 -2.057 1
1 99 . 17 1 1 A 13 13 GLU CA C 13 57.634 58.598 -0.964 1
1 100 . 17 1 1 A 13 13 GLU CB C 13 28.567 28.573 -0.006 1
1 102 . 17 1 1 A 13 13 GLU N N 13 113.498 118.302 -4.804 1
1 103 . 17 1 1 A 14 14 PHE H H 14 7.483 7.955 -0.472 1
1 104 . 17 1 1 A 14 14 PHE HA H 14 4.650 4.654 -0.004 1
1 112 . 17 1 1 A 14 14 PHE C C 14 175.657 176.336 -0.679 1
1 113 . 17 1 1 A 14 14 PHE CA C 14 56.187 57.524 -1.337 1
1 114 . 17 1 1 A 14 14 PHE CB C 14 39.665 38.652 1.013 1
1 120 . 17 1 1 A 14 14 PHE N N 14 115.879 117.800 -1.921 1
1 121 . 17 1 1 A 15 15 ARG H H 15 7.757 8.835 -1.078 1
1 122 . 17 1 1 A 15 15 ARG HA H 15 4.154 4.528 -0.374 1
1 129 . 17 1 1 A 15 15 ARG C C 15 177.353 175.547 1.806 1
1 130 . 17 1 1 A 15 15 ARG CA C 15 58.092 55.836 2.256 1
1 131 . 17 1 1 A 15 15 ARG CB C 15 31.193 28.504 2.689 1
1 134 . 17 1 1 A 15 15 ARG N N 15 118.945 119.687 -0.742 1
1 135 . 17 1 1 A 16 16 GLY H H 16 8.812 8.535 0.277 1
1 136 . 17 1 1 A 16 16 GLY HA2 H 16 4.194 4.319 -0.125 1
1 137 . 17 1 1 A 16 16 GLY HA3 H 16 3.824 4.340 -0.516 1
1 138 . 17 1 1 A 16 16 GLY C C 16 173.427 171.560 1.867 1
1 139 . 17 1 1 A 16 16 GLY CA C 16 45.157 46.102 -0.945 1
1 140 . 17 1 1 A 16 16 GLY N N 16 109.133 108.117 1.016 1
1 141 . 17 1 1 A 17 17 VAL H H 17 8.308 8.413 -0.105 1
1 142 . 17 1 1 A 17 17 VAL HA H 17 4.060 4.931 -0.871 1
1 150 . 17 1 1 A 17 17 VAL C C 17 176.469 174.348 2.121 1
1 151 . 17 1 1 A 17 17 VAL CA C 17 62.098 59.311 2.787 1
1 152 . 17 1 1 A 17 17 VAL CB C 17 33.414 35.670 -2.256 1
1 155 . 17 1 1 A 17 17 VAL N N 17 120.815 118.617 2.198 1
1 156 . 17 1 1 A 18 18 ILE H H 18 8.547 8.879 -0.332 1
1 157 . 17 1 1 A 18 18 ILE HA H 18 4.186 4.701 -0.515 1
1 167 . 17 1 1 A 18 18 ILE C C 18 177.208 176.504 0.704 1
1 168 . 17 1 1 A 18 18 ILE CA C 18 63.175 59.971 3.204 1
1 169 . 17 1 1 A 18 18 ILE CB C 18 38.596 39.480 -0.884 1
1 173 . 17 1 1 A 18 18 ILE N N 18 125.006 124.226 0.780 1
1 174 . 17 1 1 A 19 19 ILE H H 19 9.127 8.521 0.606 1
1 175 . 17 1 1 A 19 19 ILE HA H 19 4.461 4.441 0.020 1
1 185 . 17 1 1 A 19 19 ILE C C 19 176.081 175.739 0.342 1
1 186 . 17 1 1 A 19 19 ILE CA C 19 60.298 61.294 -0.996 1
1 187 . 17 1 1 A 19 19 ILE CB C 19 39.665 39.810 -0.145 1
1 191 . 17 1 1 A 19 19 ILE N N 19 124.358 120.224 4.134 1
1 192 . 17 1 1 A 20 20 LYS H H 20 7.620 7.615 0.005 1
1 193 . 17 1 1 A 20 20 LYS HA H 20 4.325 4.722 -0.397 1
1 202 . 17 1 1 A 20 20 LYS C C 20 172.760 173.974 -1.214 1
1 203 . 17 1 1 A 20 20 LYS CA C 20 57.298 55.547 1.751 1
1 204 . 17 1 1 A 20 20 LYS CB C 20 36.458 35.671 0.787 1
1 208 . 17 1 1 A 20 20 LYS N N 20 121.749 121.710 0.039 1
1 209 . 17 1 1 A 21 21 GLN H H 21 8.572 8.531 0.041 1
1 210 . 17 1 1 A 21 21 GLN HA H 21 5.927 5.255 0.672 1
1 217 . 17 1 1 A 21 21 GLN C C 21 175.124 174.623 0.501 1
1 218 . 17 1 1 A 21 21 GLN CA C 21 54.227 54.491 -0.264 1
1 219 . 17 1 1 A 21 21 GLN CB C 21 33.369 33.222 0.147 1
1 221 . 17 1 1 A 21 21 GLN N N 21 121.653 124.074 -2.421 1
1 223 . 17 1 1 A 22 22 GLY H H 22 9.178 8.172 1.006 1
1 224 . 17 1 1 A 22 22 GLY HA2 H 22 4.904 4.280 0.624 1
1 225 . 17 1 1 A 22 22 GLY HA3 H 22 4.447 4.372 0.075 1
1 226 . 17 1 1 A 22 22 GLY C C 22 172.300 172.676 -0.376 1
1 227 . 17 1 1 A 22 22 GLY CA C 22 45.650 45.278 0.372 1
1 228 . 17 1 1 A 22 22 GLY N N 22 108.544 108.333 0.211 1
1 229 . 17 1 1 A 23 23 CYS H H 23 9.262 8.748 0.514 1
1 230 . 17 1 1 A 23 23 CYS HA H 23 5.904 5.844 0.060 1
1 233 . 17 1 1 A 23 23 CYS C C 23 175.293 174.132 1.161 1
1 234 . 17 1 1 A 23 23 CYS CA C 23 59.222 57.632 1.590 1
1 235 . 17 1 1 A 23 23 CYS CB C 23 29.260 30.109 -0.849 1
1 236 . 17 1 1 A 23 23 CYS N N 23 118.575 117.266 1.309 1
1 237 . 17 1 1 A 24 24 LEU H H 24 9.131 9.832 -0.701 1
1 238 . 17 1 1 A 24 24 LEU HA H 24 4.627 5.085 -0.458 1
1 248 . 17 1 1 A 24 24 LEU C C 24 175.354 175.511 -0.157 1
1 249 . 17 1 1 A 24 24 LEU CA C 24 53.963 53.669 0.294 1
1 250 . 17 1 1 A 24 24 LEU CB C 24 47.315 46.127 1.188 1
1 254 . 17 1 1 A 24 24 LEU N N 24 122.880 123.291 -0.411 1
1 255 . 17 1 1 A 25 25 LEU H H 25 7.968 8.971 -1.003 1
1 256 . 17 1 1 A 25 25 LEU HA H 25 5.056 5.198 -0.142 1
1 266 . 17 1 1 A 25 25 LEU C C 25 175.766 175.156 0.610 1
1 267 . 17 1 1 A 25 25 LEU CA C 25 54.810 54.315 0.495 1
1 268 . 17 1 1 A 25 25 LEU CB C 25 44.065 42.220 1.845 1
1 272 . 17 1 1 A 25 25 LEU N N 25 119.755 122.172 -2.417 1
1 273 . 17 1 1 A 26 26 LYS H H 26 9.307 8.638 0.669 1
1 274 . 17 1 1 A 26 26 LYS HA H 26 5.166 5.007 0.159 1
1 283 . 17 1 1 A 26 26 LYS C C 26 175.778 175.247 0.531 1
1 284 . 17 1 1 A 26 26 LYS CA C 26 54.687 55.457 -0.770 1
1 285 . 17 1 1 A 26 26 LYS CB C 26 37.033 33.849 3.184 1
1 289 . 17 1 1 A 26 26 LYS N N 26 122.635 126.398 -3.763 1
1 290 . 17 1 1 A 27 27 GLN H H 27 8.228 8.114 0.114 1
1 291 . 17 1 1 A 27 27 GLN HA H 27 3.839 4.756 -0.917 1
1 298 . 17 1 1 A 27 27 GLN C C 27 176.869 175.544 1.325 1
1 299 . 17 1 1 A 27 27 GLN CA C 27 55.922 54.763 1.159 1
1 300 . 17 1 1 A 27 27 GLN CB C 27 29.589 29.518 0.071 1
1 302 . 17 1 1 A 27 27 GLN N N 27 132.145 126.220 5.925 1
1 304 . 17 1 1 A 28 28 GLY H H 28 8.434 8.383 0.051 1
1 305 . 17 1 1 A 28 28 GLY HA2 H 28 4.144 3.940 0.204 1
1 306 . 17 1 1 A 28 28 GLY HA3 H 28 3.999 3.971 0.028 1
1 307 . 17 1 1 A 28 28 GLY CA C 28 45.457 44.239 1.218 1
1 308 . 17 1 1 A 28 28 GLY N N 28 114.691 111.545 3.146 1
1 309 . 17 1 1 A 29 29 HIS HA H 29 4.352 4.785 -0.433 1
1 314 . 17 1 1 A 29 29 HIS CA C 29 58.505 54.022 4.483 1
1 315 . 17 1 1 A 29 29 HIS CB C 29 30.967 29.626 1.341 1
1 318 . 17 1 1 A 30 30 ARG HA H 30 4.114 4.374 -0.260 1
1 325 . 17 1 1 A 30 30 ARG CA C 30 56.429 55.912 0.517 1
1 326 . 17 1 1 A 30 30 ARG CB C 30 29.591 32.246 -2.655 1
1 329 . 17 1 1 A 31 31 ARG HA H 31 3.774 3.998 -0.224 1
1 336 . 17 1 1 A 31 31 ARG C C 31 175.536 174.960 0.576 1
1 337 . 17 1 1 A 31 31 ARG CA C 31 55.922 57.014 -1.092 1
1 338 . 17 1 1 A 31 31 ARG CB C 31 29.302 28.851 0.451 1
1 341 . 17 1 1 A 32 32 LYS H H 32 8.011 7.827 0.184 1
1 342 . 17 1 1 A 32 32 LYS HA H 32 4.164 4.516 -0.352 1
1 351 . 17 1 1 A 32 32 LYS C C 32 175.741 175.514 0.227 1
1 352 . 17 1 1 A 32 32 LYS CA C 32 56.239 57.675 -1.436 1
1 353 . 17 1 1 A 32 32 LYS CB C 32 32.016 34.953 -2.937 1
1 357 . 17 1 1 A 32 32 LYS N N 32 117.463 123.736 -6.273 1
1 358 . 17 1 1 A 33 33 ASN H H 33 7.870 7.725 0.145 1
1 359 . 17 1 1 A 33 33 ASN HA H 33 4.807 5.188 -0.381 1
1 364 . 17 1 1 A 33 33 ASN C C 33 173.681 173.741 -0.060 1
1 365 . 17 1 1 A 33 33 ASN CA C 33 52.551 52.631 -0.080 1
1 366 . 17 1 1 A 33 33 ASN CB C 33 39.830 41.667 -1.837 1
1 367 . 17 1 1 A 33 33 ASN N N 33 117.522 115.731 1.791 1
1 369 . 17 1 1 A 34 34 TRP H H 34 8.704 8.902 -0.198 1
1 370 . 17 1 1 A 34 34 TRP HA H 34 4.807 4.959 -0.152 1
1 379 . 17 1 1 A 34 34 TRP C C 34 176.129 176.428 -0.299 1
1 380 . 17 1 1 A 34 34 TRP CA C 34 56.540 57.246 -0.706 1
1 381 . 17 1 1 A 34 34 TRP CB C 34 31.399 30.954 0.445 1
1 387 . 17 1 1 A 34 34 TRP N N 34 121.620 120.605 1.015 1
1 389 . 17 1 1 A 35 35 LYS H H 35 8.457 9.013 -0.556 1
1 390 . 17 1 1 A 35 35 LYS HA H 35 4.876 5.102 -0.226 1
1 399 . 17 1 1 A 35 35 LYS C C 35 176.081 175.873 0.208 1
1 400 . 17 1 1 A 35 35 LYS CA C 35 54.298 54.696 -0.398 1
1 401 . 17 1 1 A 35 35 LYS CB C 35 36.498 36.156 0.342 1
1 405 . 17 1 1 A 35 35 LYS N N 35 120.816 121.632 -0.816 1
1 406 . 17 1 1 A 36 36 VAL H H 36 8.974 8.744 0.230 1
1 407 . 17 1 1 A 36 36 VAL HA H 36 4.254 4.525 -0.271 1
1 415 . 17 1 1 A 36 36 VAL C C 36 176.808 176.033 0.775 1
1 416 . 17 1 1 A 36 36 VAL CA C 36 63.828 63.052 0.776 1
1 417 . 17 1 1 A 36 36 VAL CB C 36 31.687 32.021 -0.334 1
1 420 . 17 1 1 A 36 36 VAL N N 36 123.825 125.192 -1.367 1
1 421 . 17 1 1 A 37 37 ARG H H 37 9.327 9.066 0.261 1
1 422 . 17 1 1 A 37 37 ARG HA H 37 4.930 5.005 -0.075 1
1 427 . 17 1 1 A 37 37 ARG C C 37 173.815 174.373 -0.558 1
1 428 . 17 1 1 A 37 37 ARG CA C 37 54.351 54.325 0.026 1
1 429 . 17 1 1 A 37 37 ARG CB C 37 34.709 34.526 0.183 1
1 432 . 17 1 1 A 37 37 ARG N N 37 128.926 125.920 3.006 1
1 433 . 17 1 1 A 38 38 LYS H H 38 8.714 8.684 0.030 1
1 434 . 17 1 1 A 38 38 LYS HA H 38 4.959 4.952 0.007 1
1 443 . 17 1 1 A 38 38 LYS C C 38 175.075 174.947 0.128 1
1 444 . 17 1 1 A 38 38 LYS CA C 38 55.869 55.944 -0.075 1
1 445 . 17 1 1 A 38 38 LYS CB C 38 34.072 33.767 0.305 1
1 449 . 17 1 1 A 38 38 LYS N N 38 121.669 122.876 -1.207 1
1 450 . 17 1 1 A 39 39 PHE H H 39 9.751 9.873 -0.122 1
1 451 . 17 1 1 A 39 39 PHE HA H 39 5.591 5.254 0.337 1
1 459 . 17 1 1 A 39 39 PHE C C 39 175.414 174.797 0.617 1
1 460 . 17 1 1 A 39 39 PHE CA C 39 57.474 56.824 0.650 1
1 461 . 17 1 1 A 39 39 PHE CB C 39 42.667 41.336 1.331 1
1 467 . 17 1 1 A 39 39 PHE N N 39 127.216 124.521 2.695 1
1 468 . 17 1 1 A 40 40 ILE H H 40 9.246 10.587 -1.341 1
1 469 . 17 1 1 A 40 40 ILE HA H 40 4.864 5.172 -0.308 1
1 479 . 17 1 1 A 40 40 ILE C C 40 174.724 174.374 0.350 1
1 480 . 17 1 1 A 40 40 ILE CA C 40 62.134 60.042 2.092 1
1 481 . 17 1 1 A 40 40 ILE CB C 40 41.022 39.889 1.133 1
1 485 . 17 1 1 A 40 40 ILE N N 40 119.337 124.056 -4.719 1
1 486 . 17 1 1 A 41 41 LEU H H 41 9.549 9.227 0.322 1
1 487 . 17 1 1 A 41 41 LEU HA H 41 5.485 5.336 0.149 1
1 497 . 17 1 1 A 41 41 LEU C C 41 174.457 175.260 -0.803 1
1 498 . 17 1 1 A 41 41 LEU CA C 41 54.004 53.671 0.333 1
1 499 . 17 1 1 A 41 41 LEU CB C 41 45.299 45.327 -0.028 1
1 503 . 17 1 1 A 41 41 LEU N N 41 132.451 130.871 1.580 1
1 504 . 17 1 1 A 42 42 ARG H H 42 9.383 9.049 0.334 1
1 505 . 17 1 1 A 42 42 ARG HA H 42 5.492 5.194 0.298 1
1 513 . 17 1 1 A 42 42 ARG C C 42 174.893 175.232 -0.339 1
1 514 . 17 1 1 A 42 42 ARG CA C 42 54.421 54.539 -0.118 1
1 515 . 17 1 1 A 42 42 ARG CB C 42 35.470 33.575 1.895 1
1 518 . 17 1 1 A 42 42 ARG N N 42 128.467 124.432 4.035 1
1 520 . 17 1 1 A 43 43 GLU H H 43 8.259 8.132 0.127 1
1 521 . 17 1 1 A 43 43 GLU HA H 43 4.366 4.739 -0.373 1
1 526 . 17 1 1 A 43 43 GLU C C 43 174.893 175.882 -0.989 1
1 527 . 17 1 1 A 43 43 GLU CA C 43 54.898 55.597 -0.699 1
1 528 . 17 1 1 A 43 43 GLU CB C 43 33.102 30.959 2.143 1
1 530 . 17 1 1 A 43 43 GLU N N 43 115.434 120.440 -5.006 1
1 531 . 17 1 1 A 44 44 ASP H H 44 7.870 8.996 -1.126 1
1 532 . 17 1 1 A 44 44 ASP HA H 44 4.433 4.244 0.189 1
1 535 . 17 1 1 A 44 44 ASP C C 44 172.991 174.271 -1.280 1
1 536 . 17 1 1 A 44 44 ASP CA C 44 53.892 54.926 -1.034 1
1 537 . 17 1 1 A 44 44 ASP CB C 44 41.146 39.591 1.555 1
1 538 . 17 1 1 A 44 44 ASP N N 44 114.444 120.139 -5.695 1
1 539 . 17 1 1 A 45 45 PRO HA H 45 4.710 4.514 0.196 1
1 546 . 17 1 1 A 45 45 PRO C C 45 176.747 175.406 1.341 1
1 547 . 17 1 1 A 45 45 PRO CA C 45 63.246 62.574 0.672 1
1 548 . 17 1 1 A 45 45 PRO CB C 45 34.977 32.629 2.348 1
1 551 . 17 1 1 A 46 46 ALA H H 46 8.356 8.067 0.289 1
1 552 . 17 1 1 A 46 46 ALA HA H 46 5.049 4.673 0.376 1
1 556 . 17 1 1 A 46 46 ALA C C 46 175.499 175.999 -0.500 1
1 557 . 17 1 1 A 46 46 ALA CA C 46 51.545 50.774 0.771 1
1 558 . 17 1 1 A 46 46 ALA CB C 46 19.655 19.509 0.146 1
1 559 . 17 1 1 A 46 46 ALA N N 46 122.969 123.470 -0.501 1
1 560 . 17 1 1 A 47 47 TYR H H 47 8.047 9.059 -1.012 1
1 561 . 17 1 1 A 47 47 TYR HA H 47 5.097 5.010 0.087 1
1 568 . 17 1 1 A 47 47 TYR C C 47 173.730 174.332 -0.602 1
1 569 . 17 1 1 A 47 47 TYR CA C 47 57.563 56.413 1.150 1
1 570 . 17 1 1 A 47 47 TYR CB C 47 45.711 42.786 2.925 1
1 575 . 17 1 1 A 47 47 TYR N N 47 126.550 120.835 5.715 1
1 576 . 17 1 1 A 48 48 LEU H H 48 8.776 8.573 0.203 1
1 577 . 17 1 1 A 48 48 LEU HA H 48 5.578 5.309 0.269 1
1 587 . 17 1 1 A 48 48 LEU C C 48 175.039 174.539 0.500 1
1 588 . 17 1 1 A 48 48 LEU CA C 48 53.134 53.470 -0.336 1
1 589 . 17 1 1 A 48 48 LEU CB C 48 46.369 45.109 1.260 1
1 593 . 17 1 1 A 48 48 LEU N N 48 120.864 124.046 -3.182 1
1 594 . 17 1 1 A 49 49 HIS H H 49 8.974 9.509 -0.535 1
1 595 . 17 1 1 A 49 49 HIS HA H 49 5.181 5.165 0.016 1
1 600 . 17 1 1 A 49 49 HIS C C 49 174.712 174.280 0.432 1
1 601 . 17 1 1 A 49 49 HIS CA C 49 57.916 53.944 3.972 1
1 602 . 17 1 1 A 49 49 HIS CB C 49 35.347 32.153 3.194 1
1 605 . 17 1 1 A 49 49 HIS N N 49 124.417 126.479 -2.062 1
1 606 . 17 1 1 A 50 50 TYR H H 50 7.348 8.163 -0.815 1
1 607 . 17 1 1 A 50 50 TYR HA H 50 5.909 5.757 0.152 1
1 614 . 17 1 1 A 50 50 TYR C C 50 174.239 173.758 0.481 1
1 615 . 17 1 1 A 50 50 TYR CA C 50 53.610 54.887 -1.277 1
1 616 . 17 1 1 A 50 50 TYR CB C 50 40.077 40.906 -0.829 1
1 621 . 17 1 1 A 50 50 TYR N N 50 114.323 120.519 -6.196 1
1 622 . 17 1 1 A 51 51 TYR H H 51 9.230 8.969 0.261 1
1 623 . 17 1 1 A 51 51 TYR HA H 51 4.555 5.024 -0.469 1
1 630 . 17 1 1 A 51 51 TYR C C 51 175.572 174.796 0.776 1
1 631 . 17 1 1 A 51 51 TYR CA C 51 57.175 56.533 0.642 1
1 632 . 17 1 1 A 51 51 TYR CB C 51 42.709 42.324 0.385 1
1 637 . 17 1 1 A 51 51 TYR N N 51 117.695 120.581 -2.886 1
1 638 . 17 1 1 A 52 52 ASP H H 52 9.390 8.721 0.669 1
1 639 . 17 1 1 A 52 52 ASP HA H 52 4.937 4.859 0.078 1
1 642 . 17 1 1 A 52 52 ASP CA C 52 52.057 52.212 -0.155 1
1 643 . 17 1 1 A 52 52 ASP CB C 52 42.197 41.702 0.495 1
1 644 . 17 1 1 A 52 52 ASP N N 52 123.964 123.057 0.907 1
1 645 . 17 1 1 A 53 53 PRO HA H 53 4.274 4.360 -0.086 1
1 652 . 17 1 1 A 53 53 PRO C C 53 176.360 178.551 -2.191 1
1 653 . 17 1 1 A 53 53 PRO CA C 53 64.728 65.846 -1.118 1
1 654 . 17 1 1 A 53 53 PRO CB C 53 32.016 31.855 0.161 1
1 657 . 17 1 1 A 54 54 ALA H H 54 8.384 8.386 -0.002 1
1 658 . 17 1 1 A 54 54 ALA HA H 54 4.492 4.119 0.373 1
1 662 . 17 1 1 A 54 54 ALA C C 54 177.620 177.649 -0.029 1
1 663 . 17 1 1 A 54 54 ALA CA C 54 52.022 54.001 -1.979 1
1 664 . 17 1 1 A 54 54 ALA CB C 54 19.202 19.377 -0.175 1
1 665 . 17 1 1 A 54 54 ALA N N 54 120.140 119.319 0.821 1
1 666 . 17 1 1 A 55 55 GLY H H 55 7.710 7.888 -0.178 1
1 667 . 17 1 1 A 55 55 GLY HA2 H 55 4.194 4.022 0.172 1
1 668 . 17 1 1 A 55 55 GLY HA3 H 55 3.833 4.022 -0.189 1
1 669 . 17 1 1 A 55 55 GLY C C 55 173.524 171.437 2.087 1
1 670 . 17 1 1 A 55 55 GLY CA C 55 45.421 45.264 0.157 1
1 671 . 17 1 1 A 55 55 GLY N N 55 107.828 103.274 4.554 1
1 672 . 17 1 1 A 56 56 ALA H H 56 8.339 8.313 0.026 1
1 673 . 17 1 1 A 56 56 ALA HA H 56 4.378 4.764 -0.386 1
1 677 . 17 1 1 A 56 56 ALA C C 56 177.741 176.343 1.398 1
1 678 . 17 1 1 A 56 56 ALA CA C 56 52.410 51.449 0.961 1
1 679 . 17 1 1 A 56 56 ALA CB C 56 19.843 22.812 -2.969 1
1 680 . 17 1 1 A 56 56 ALA N N 56 125.269 121.397 3.872 1
1 681 . 17 1 1 A 57 57 GLU H H 57 8.567 9.016 -0.449 1
1 682 . 17 1 1 A 57 57 GLU HA H 57 4.160 4.474 -0.314 1
1 687 . 17 1 1 A 57 57 GLU C C 57 176.335 175.572 0.763 1
1 688 . 17 1 1 A 57 57 GLU CA C 57 57.616 57.999 -0.383 1
1 689 . 17 1 1 A 57 57 GLU CB C 57 30.083 32.379 -2.296 1
1 691 . 17 1 1 A 57 57 GLU N N 57 119.341 118.365 0.976 1
1 692 . 17 1 1 A 58 58 ASP H H 58 7.718 7.915 -0.197 1
1 693 . 17 1 1 A 58 58 ASP HA H 58 5.010 4.942 0.068 1
1 696 . 17 1 1 A 58 58 ASP C C 58 173.209 174.473 -1.264 1
1 697 . 17 1 1 A 58 58 ASP CA C 58 52.128 52.355 -0.227 1
1 698 . 17 1 1 A 58 58 ASP CB C 58 40.981 39.996 0.985 1
1 699 . 17 1 1 A 58 58 ASP N N 58 118.499 119.456 -0.957 1
1 700 . 17 1 1 A 59 59 PRO HA H 59 3.493 4.070 -0.577 1
1 707 . 17 1 1 A 59 59 PRO C C 59 177.111 177.698 -0.587 1
1 708 . 17 1 1 A 59 59 PRO CA C 59 63.069 62.374 0.695 1
1 709 . 17 1 1 A 59 59 PRO CB C 59 31.229 31.420 -0.191 1
1 712 . 17 1 1 A 60 60 LEU H H 60 8.770 8.335 0.435 1
1 713 . 17 1 1 A 60 60 LEU HA H 60 4.114 3.838 0.276 1
1 723 . 17 1 1 A 60 60 LEU C C 60 177.268 176.480 0.788 1
1 724 . 17 1 1 A 60 60 LEU CA C 60 55.181 56.619 -1.438 1
1 725 . 17 1 1 A 60 60 LEU CB C 60 42.750 42.129 0.621 1
1 729 . 17 1 1 A 60 60 LEU N N 60 121.907 121.887 0.020 1
1 730 . 17 1 1 A 61 61 GLY H H 61 6.472 6.657 -0.185 1
1 731 . 17 1 1 A 61 61 GLY HA2 H 61 3.798 3.940 -0.142 1
1 732 . 17 1 1 A 61 61 GLY HA3 H 61 3.382 3.951 -0.569 1
1 733 . 17 1 1 A 61 61 GLY C C 61 169.367 170.590 -1.223 1
1 734 . 17 1 1 A 61 61 GLY CA C 61 45.033 45.554 -0.521 1
1 735 . 17 1 1 A 61 61 GLY N N 61 103.740 103.998 -0.258 1
1 736 . 17 1 1 A 62 62 ALA H H 62 8.024 8.502 -0.478 1
1 737 . 17 1 1 A 62 62 ALA HA H 62 4.644 5.361 -0.717 1
1 741 . 17 1 1 A 62 62 ALA C C 62 176.226 175.946 0.280 1
1 742 . 17 1 1 A 62 62 ALA CA C 62 50.839 50.911 -0.072 1
1 743 . 17 1 1 A 62 62 ALA CB C 62 23.914 23.093 0.821 1
1 744 . 17 1 1 A 62 62 ALA N N 62 120.249 121.589 -1.340 1
1 745 . 17 1 1 A 63 63 ILE H H 63 8.810 8.511 0.299 1
1 746 . 17 1 1 A 63 63 ILE HA H 63 4.119 4.766 -0.647 1
1 756 . 17 1 1 A 63 63 ILE C C 63 174.724 175.766 -1.042 1
1 757 . 17 1 1 A 63 63 ILE CA C 63 60.757 60.522 0.235 1
1 758 . 17 1 1 A 63 63 ILE CB C 63 40.319 40.220 0.099 1
1 762 . 17 1 1 A 63 63 ILE N N 63 122.110 119.590 2.520 1
1 763 . 17 1 1 A 64 64 HIS H H 64 9.073 9.067 0.006 1
1 764 . 17 1 1 A 64 64 HIS HA H 64 3.948 4.704 -0.756 1
1 769 . 17 1 1 A 64 64 HIS C C 64 176.529 174.878 1.651 1
1 770 . 17 1 1 A 64 64 HIS CA C 64 54.951 57.585 -2.634 1
1 771 . 17 1 1 A 64 64 HIS CB C 64 30.494 30.932 -0.438 1
1 774 . 17 1 1 A 64 64 HIS N N 64 129.092 127.913 1.179 1
1 775 . 17 1 1 A 65 65 LEU H H 65 7.770 7.618 0.152 1
1 776 . 17 1 1 A 65 65 LEU HA H 65 4.074 4.346 -0.272 1
1 786 . 17 1 1 A 65 65 LEU C C 65 176.808 178.004 -1.196 1
1 787 . 17 1 1 A 65 65 LEU CA C 65 54.951 55.338 -0.387 1
1 788 . 17 1 1 A 65 65 LEU CB C 65 42.667 43.096 -0.429 1
1 792 . 17 1 1 A 65 65 LEU N N 65 124.760 128.035 -3.275 1
1 793 . 17 1 1 A 66 66 ARG H H 66 6.515 6.933 -0.418 1
1 794 . 17 1 1 A 66 66 ARG HA H 66 4.085 3.810 0.275 1
1 801 . 17 1 1 A 66 66 ARG C C 66 178.638 177.385 1.253 1
1 802 . 17 1 1 A 66 66 ARG CA C 66 58.092 58.730 -0.638 1
1 803 . 17 1 1 A 66 66 ARG CB C 66 29.525 29.638 -0.113 1
1 806 . 17 1 1 A 66 66 ARG N N 66 120.462 118.218 2.244 1
1 807 . 17 1 1 A 67 67 GLY H H 67 9.300 7.810 1.490 1
1 808 . 17 1 1 A 67 67 GLY HA2 H 67 4.045 4.114 -0.069 1
1 809 . 17 1 1 A 67 67 GLY HA3 H 67 3.826 4.201 -0.375 1
1 810 . 17 1 1 A 67 67 GLY C C 67 173.996 173.931 0.065 1
1 811 . 17 1 1 A 67 67 GLY CA C 67 46.162 46.120 0.042 1
1 812 . 17 1 1 A 67 67 GLY N N 67 118.040 105.922 12.118 1
1 813 . 17 1 1 A 68 68 CYS H H 68 7.789 8.050 -0.261 1
1 814 . 17 1 1 A 68 68 CYS HA H 68 4.779 5.267 -0.488 1
1 817 . 17 1 1 A 68 68 CYS C C 68 173.148 173.436 -0.288 1
1 818 . 17 1 1 A 68 68 CYS CA C 68 57.545 56.801 0.744 1
1 819 . 17 1 1 A 68 68 CYS CB C 68 28.644 30.027 -1.383 1
1 820 . 17 1 1 A 68 68 CYS N N 68 116.032 117.895 -1.863 1
1 821 . 17 1 1 A 69 69 VAL H H 69 8.665 10.111 -1.446 1
1 822 . 17 1 1 A 69 69 VAL HA H 69 4.364 4.829 -0.465 1
1 830 . 17 1 1 A 69 69 VAL C C 69 174.154 174.681 -0.527 1
1 831 . 17 1 1 A 69 69 VAL CA C 69 61.464 60.755 0.709 1
1 832 . 17 1 1 A 69 69 VAL CB C 69 35.041 35.868 -0.827 1
1 835 . 17 1 1 A 69 69 VAL N N 69 120.327 119.914 0.413 1
1 836 . 17 1 1 A 70 70 VAL H H 70 8.656 8.700 -0.044 1
1 837 . 17 1 1 A 70 70 VAL HA H 70 5.543 5.097 0.446 1
1 845 . 17 1 1 A 70 70 VAL C C 70 174.105 175.100 -0.995 1
1 846 . 17 1 1 A 70 70 VAL CA C 70 59.028 61.051 -2.023 1
1 847 . 17 1 1 A 70 70 VAL CB C 70 34.237 34.129 0.108 1
1 850 . 17 1 1 A 70 70 VAL N N 70 124.719 125.802 -1.083 1
1 851 . 17 1 1 A 71 71 THR H H 71 8.883 8.627 0.256 1
1 852 . 17 1 1 A 71 71 THR HA H 71 4.724 4.784 -0.060 1
1 857 . 17 1 1 A 71 71 THR C C 71 173.087 172.064 1.023 1
1 858 . 17 1 1 A 71 71 THR CA C 71 59.875 60.570 -0.695 1
1 859 . 17 1 1 A 71 71 THR CB C 71 71.290 70.208 1.082 1
1 861 . 17 1 1 A 71 71 THR N N 71 120.107 120.230 -0.123 1
1 862 . 17 1 1 A 72 72 SER H H 72 8.706 8.831 -0.125 1
1 863 . 17 1 1 A 72 72 SER HA H 72 4.455 5.388 -0.933 1
1 866 . 17 1 1 A 72 72 SER C C 72 174.082 174.101 -0.019 1
1 867 . 17 1 1 A 72 72 SER CA C 72 59.204 57.170 2.034 1
1 868 . 17 1 1 A 72 72 SER CB C 72 63.476 65.779 -2.303 1
1 869 . 17 1 1 A 72 72 SER N N 72 120.128 119.254 0.874 1
1 870 . 17 1 1 A 73 73 VAL H H 73 7.825 8.706 -0.881 1
1 871 . 17 1 1 A 73 73 VAL HA H 73 4.302 4.627 -0.325 1
1 879 . 17 1 1 A 73 73 VAL C C 73 175.160 176.146 -0.986 1
1 880 . 17 1 1 A 73 73 VAL CA C 73 62.010 60.551 1.459 1
1 881 . 17 1 1 A 73 73 VAL CB C 73 33.579 34.173 -0.594 1
1 884 . 17 1 1 A 73 73 VAL N N 73 125.377 118.967 6.410 1
1 885 . 17 1 1 A 74 74 GLU H H 74 8.706 8.503 0.203 1
1 886 . 17 1 1 A 74 74 GLU HA H 74 4.544 4.666 -0.122 1
1 891 . 17 1 1 A 74 74 GLU C C 74 176.420 176.730 -0.310 1
1 892 . 17 1 1 A 74 74 GLU CA C 74 55.622 55.447 0.175 1
1 893 . 17 1 1 A 74 74 GLU CB C 74 30.741 29.280 1.461 1
1 895 . 17 1 1 A 74 74 GLU N N 74 126.564 119.891 6.673 1
1 896 . 17 1 1 A 75 75 SER H H 75 8.639 7.638 1.001 1
1 897 . 17 1 1 A 75 75 SER HA H 75 4.447 4.545 -0.098 1
1 900 . 17 1 1 A 75 75 SER C C 75 174.299 174.534 -0.235 1
1 901 . 17 1 1 A 75 75 SER CA C 75 58.339 58.303 0.036 1
1 902 . 17 1 1 A 75 75 SER CB C 75 64.170 64.492 -0.322 1
1 903 . 17 1 1 A 75 75 SER N N 75 117.961 117.130 0.831 1
1 904 . 17 1 1 A 76 76 ASN H H 76 8.672 8.917 -0.245 1
1 905 . 17 1 1 A 76 76 ASN HA H 76 4.795 4.661 0.134 1
1 910 . 17 1 1 A 76 76 ASN C C 76 175.584 173.067 2.517 1
1 911 . 17 1 1 A 76 76 ASN CA C 76 53.292 53.498 -0.206 1
1 912 . 17 1 1 A 76 76 ASN CB C 76 39.089 37.884 1.205 1
1 913 . 17 1 1 A 76 76 ASN N N 76 121.138 121.595 -0.457 1
1 915 . 17 1 1 A 78 78 ASN HA H 78 4.635 4.442 0.193 1
1 920 . 17 1 1 A 78 78 ASN C C 78 175.681 174.935 0.746 1
1 921 . 17 1 1 A 78 78 ASN CA C 78 53.610 54.942 -1.332 1
1 922 . 17 1 1 A 78 78 ASN CB C 78 38.496 37.789 0.707 1
1 924 . 17 1 1 A 79 79 GLY H H 79 8.356 8.548 -0.192 1
1 925 . 17 1 1 A 79 79 GLY HA2 H 79 3.821 4.078 -0.257 1
1 926 . 17 1 1 A 79 79 GLY HA3 H 79 4.011 4.080 -0.069 1
1 927 . 17 1 1 A 79 79 GLY C C 79 174.154 171.799 2.355 1
1 928 . 17 1 1 A 79 79 GLY CA C 79 45.563 43.955 1.608 1
1 929 . 17 1 1 A 79 79 GLY N N 79 108.284 112.141 -3.857 1
1 930 . 17 1 1 A 80 80 ARG H H 80 7.919 8.555 -0.636 1
1 931 . 17 1 1 A 80 80 ARG HA H 80 4.344 5.172 -0.828 1
1 938 . 17 1 1 A 80 80 ARG C C 80 176.117 175.222 0.895 1
1 939 . 17 1 1 A 80 80 ARG CA C 80 55.905 55.076 0.829 1
1 940 . 17 1 1 A 80 80 ARG CB C 80 30.782 33.268 -2.486 1
1 943 . 17 1 1 A 80 80 ARG N N 80 120.470 120.257 0.213 1
1 944 . 17 1 1 A 81 81 LYS H H 81 8.427 8.615 -0.188 1
1 945 . 17 1 1 A 81 81 LYS HA H 81 4.350 4.489 -0.139 1
1 954 . 17 1 1 A 81 81 LYS C C 81 176.808 176.012 0.796 1
1 955 . 17 1 1 A 81 81 LYS CA C 81 56.416 57.446 -1.030 1
1 956 . 17 1 1 A 81 81 LYS CB C 81 32.797 35.184 -2.387 1
1 960 . 17 1 1 A 81 81 LYS N N 81 122.963 127.129 -4.166 1
1 961 . 17 1 1 A 82 82 SER H H 82 8.440 7.843 0.597 1
1 962 . 17 1 1 A 82 82 SER HA H 82 4.380 4.240 0.140 1
1 965 . 17 1 1 A 82 82 SER C C 82 174.833 175.144 -0.311 1
1 966 . 17 1 1 A 82 82 SER CA C 82 58.763 59.582 -0.819 1
1 967 . 17 1 1 A 82 82 SER CB C 82 63.723 63.780 -0.057 1
1 968 . 17 1 1 A 82 82 SER N N 82 118.053 114.774 3.279 1
1 969 . 17 1 1 A 83 83 GLU H H 83 8.648 8.742 -0.094 1
1 970 . 17 1 1 A 83 83 GLU HA H 83 4.233 3.917 0.316 1
1 975 . 17 1 1 A 83 83 GLU C C 83 176.311 177.483 -1.172 1
1 976 . 17 1 1 A 83 83 GLU CA C 83 57.104 59.763 -2.659 1
1 977 . 17 1 1 A 83 83 GLU CB C 83 29.795 29.461 0.334 1
1 979 . 17 1 1 A 83 83 GLU N N 83 121.793 126.077 -4.284 1
1 980 . 17 1 1 A 84 84 GLU H H 84 8.088 7.950 0.138 1
1 981 . 17 1 1 A 84 84 GLU HA H 84 4.161 3.959 0.202 1
1 986 . 17 1 1 A 84 84 GLU C C 84 175.523 176.397 -0.874 1
1 987 . 17 1 1 A 84 84 GLU CA C 84 56.275 56.592 -0.317 1
1 988 . 17 1 1 A 84 84 GLU CB C 84 30.165 29.772 0.393 1
1 990 . 17 1 1 A 84 84 GLU N N 84 119.385 118.549 0.836 1
1 991 . 17 1 1 A 85 85 GLU H H 85 7.907 8.282 -0.375 1
1 992 . 17 1 1 A 85 85 GLU HA H 85 4.350 4.361 -0.011 1
1 997 . 17 1 1 A 85 85 GLU C C 85 175.002 176.484 -1.482 1
1 998 . 17 1 1 A 85 85 GLU CA C 85 55.569 56.095 -0.526 1
1 999 . 17 1 1 A 85 85 GLU CB C 85 32.098 30.961 1.137 1
1 1001 . 17 1 1 A 85 85 GLU N N 85 120.414 125.122 -4.708 1
1 1002 . 17 1 1 A 86 86 ASN H H 86 8.569 8.547 0.022 1
1 1003 . 17 1 1 A 86 86 ASN HA H 86 4.225 4.908 -0.683 1
1 1008 . 17 1 1 A 86 86 ASN C C 86 175.147 174.737 0.410 1
1 1009 . 17 1 1 A 86 86 ASN CA C 86 54.068 53.294 0.774 1
1 1010 . 17 1 1 A 86 86 ASN CB C 86 38.185 38.839 -0.654 1
1 1011 . 17 1 1 A 86 86 ASN N N 86 114.602 118.982 -4.380 1
1 1013 . 17 1 1 A 87 87 LEU H H 87 8.483 8.963 -0.480 1
1 1014 . 17 1 1 A 87 87 LEU HA H 87 5.186 5.233 -0.047 1
1 1024 . 17 1 1 A 87 87 LEU C C 87 178.480 175.690 2.790 1
1 1025 . 17 1 1 A 87 87 LEU CA C 87 55.128 53.078 2.050 1
1 1026 . 17 1 1 A 87 87 LEU CB C 87 44.559 45.384 -0.825 1
1 1030 . 17 1 1 A 87 87 LEU N N 87 121.334 125.159 -3.825 1
1 1031 . 17 1 1 A 88 88 PHE H H 88 9.512 8.032 1.480 1
1 1032 . 17 1 1 A 88 88 PHE HA H 88 5.156 5.085 0.071 1
1 1040 . 17 1 1 A 88 88 PHE C C 88 170.288 172.123 -1.835 1
1 1041 . 17 1 1 A 88 88 PHE CA C 88 56.787 56.624 0.163 1
1 1042 . 17 1 1 A 88 88 PHE CB C 88 41.763 40.861 0.902 1
1 1048 . 17 1 1 A 88 88 PHE N N 88 119.324 116.871 2.453 1
1 1049 . 17 1 1 A 89 89 GLU H H 89 9.028 8.914 0.114 1
1 1050 . 17 1 1 A 89 89 GLU HA H 89 5.293 5.222 0.071 1
1 1055 . 17 1 1 A 89 89 GLU C C 89 175.245 175.106 0.139 1
1 1056 . 17 1 1 A 89 89 GLU CA C 89 53.433 55.331 -1.898 1
1 1057 . 17 1 1 A 89 89 GLU CB C 89 34.566 31.519 3.047 1
1 1059 . 17 1 1 A 89 89 GLU N N 89 121.829 120.507 1.322 1
1 1060 . 17 1 1 A 90 90 ILE H H 90 8.655 8.420 0.235 1
1 1061 . 17 1 1 A 90 90 ILE HA H 90 4.793 4.688 0.105 1
1 1071 . 17 1 1 A 90 90 ILE C C 90 174.808 175.140 -0.332 1
1 1072 . 17 1 1 A 90 90 ILE CA C 90 59.857 60.519 -0.662 1
1 1073 . 17 1 1 A 90 90 ILE CB C 90 41.886 40.093 1.793 1
1 1077 . 17 1 1 A 90 90 ILE N N 90 123.446 126.066 -2.620 1
1 1078 . 17 1 1 A 91 91 ILE H H 91 9.199 8.632 0.567 1
1 1079 . 17 1 1 A 91 91 ILE HA H 91 4.724 4.670 0.054 1
1 1089 . 17 1 1 A 91 91 ILE C C 91 177.898 175.917 1.981 1
1 1090 . 17 1 1 A 91 91 ILE CA C 91 60.211 60.966 -0.755 1
1 1091 . 17 1 1 A 91 91 ILE CB C 91 39.043 37.828 1.215 1
1 1095 . 17 1 1 A 91 91 ILE N N 91 126.827 128.851 -2.024 1
1 1096 . 17 1 1 A 92 92 THR H H 92 9.086 7.980 1.106 1
1 1097 . 17 1 1 A 92 92 THR HA H 92 4.314 4.905 -0.591 1
1 1102 . 17 1 1 A 92 92 THR C C 92 176.857 176.165 0.692 1
1 1103 . 17 1 1 A 92 92 THR CA C 92 61.693 59.744 1.949 1
1 1104 . 17 1 1 A 92 92 THR CB C 92 70.920 72.480 -1.560 1
1 1106 . 17 1 1 A 92 92 THR N N 92 117.131 116.496 0.635 1
1 1107 . 17 1 1 A 93 93 ALA H H 93 9.192 9.130 0.062 1
1 1108 . 17 1 1 A 93 93 ALA HA H 93 4.101 4.174 -0.073 1
1 1112 . 17 1 1 A 93 93 ALA C C 93 178.008 178.002 0.006 1
1 1113 . 17 1 1 A 93 93 ALA CA C 93 54.634 54.674 -0.040 1
1 1114 . 17 1 1 A 93 93 ALA CB C 93 18.198 18.155 0.043 1
1 1115 . 17 1 1 A 93 93 ALA N N 93 123.540 124.111 -0.571 1
1 1116 . 17 1 1 A 94 94 ASP H H 94 7.979 7.792 0.187 1
1 1117 . 17 1 1 A 94 94 ASP HA H 94 4.724 4.696 0.028 1
1 1120 . 17 1 1 A 94 94 ASP C C 94 174.324 175.703 -1.379 1
1 1121 . 17 1 1 A 94 94 ASP CA C 94 53.098 53.870 -0.772 1
1 1122 . 17 1 1 A 94 94 ASP CB C 94 39.336 41.049 -1.713 1
1 1123 . 17 1 1 A 94 94 ASP N N 94 113.209 117.238 -4.029 1
1 1124 . 17 1 1 A 95 95 GLU H H 95 8.152 8.899 -0.747 1
1 1125 . 17 1 1 A 95 95 GLU HA H 95 3.430 3.814 -0.384 1
1 1130 . 17 1 1 A 95 95 GLU C C 95 174.578 175.492 -0.914 1
1 1131 . 17 1 1 A 95 95 GLU CA C 95 57.687 57.858 -0.171 1
1 1132 . 17 1 1 A 95 95 GLU CB C 95 26.300 27.467 -1.167 1
1 1134 . 17 1 1 A 95 95 GLU N N 95 114.010 116.791 -2.781 1
1 1135 . 17 1 1 A 96 96 VAL H H 96 7.595 7.392 0.203 1
1 1136 . 17 1 1 A 96 96 VAL HA H 96 4.063 3.871 0.192 1
1 1144 . 17 1 1 A 96 96 VAL C C 96 175.293 175.256 0.037 1
1 1145 . 17 1 1 A 96 96 VAL CA C 96 62.751 63.067 -0.316 1
1 1146 . 17 1 1 A 96 96 VAL CB C 96 31.440 31.561 -0.121 1
1 1149 . 17 1 1 A 96 96 VAL N N 96 120.925 120.314 0.611 1
1 1150 . 17 1 1 A 97 97 HIS H H 97 8.603 9.041 -0.438 1
1 1151 . 17 1 1 A 97 97 HIS HA H 97 5.234 5.073 0.161 1
1 1156 . 17 1 1 A 97 97 HIS C C 97 174.348 173.342 1.006 1
1 1157 . 17 1 1 A 97 97 HIS CA C 97 54.404 53.565 0.839 1
1 1158 . 17 1 1 A 97 97 HIS CB C 97 30.536 31.657 -1.121 1
1 1161 . 17 1 1 A 97 97 HIS N N 97 124.160 126.676 -2.516 1
1 1162 . 17 1 1 A 98 98 TYR H H 98 9.267 8.775 0.492 1
1 1163 . 17 1 1 A 98 98 TYR HA H 98 4.532 4.680 -0.148 1
1 1170 . 17 1 1 A 98 98 TYR C C 98 173.621 174.587 -0.966 1
1 1171 . 17 1 1 A 98 98 TYR CA C 98 57.122 56.528 0.594 1
1 1172 . 17 1 1 A 98 98 TYR CB C 98 41.228 42.668 -1.440 1
1 1177 . 17 1 1 A 98 98 TYR N N 98 121.543 120.298 1.245 1
1 1178 . 17 1 1 A 99 99 PHE H H 99 8.861 8.833 0.028 1
1 1179 . 17 1 1 A 99 99 PHE HA H 99 4.983 5.061 -0.078 1
1 1186 . 17 1 1 A 99 99 PHE C C 99 173.754 174.383 -0.629 1
1 1187 . 17 1 1 A 99 99 PHE CA C 99 57.705 56.286 1.419 1
1 1188 . 17 1 1 A 99 99 PHE CB C 99 41.516 40.512 1.004 1
1 1193 . 17 1 1 A 99 99 PHE N N 99 121.699 122.176 -0.477 1
1 1194 . 17 1 1 A 100 100 LEU H H 100 8.529 8.221 0.308 1
1 1195 . 17 1 1 A 100 100 LEU HA H 100 5.345 5.441 -0.096 1
1 1205 . 17 1 1 A 100 100 LEU C C 100 174.942 174.863 0.079 1
1 1206 . 17 1 1 A 100 100 LEU CA C 100 52.781 52.923 -0.142 1
1 1207 . 17 1 1 A 100 100 LEU CB C 100 44.518 44.308 0.210 1
1 1211 . 17 1 1 A 100 100 LEU N N 100 123.519 124.436 -0.917 1
1 1212 . 17 1 1 A 101 101 GLN H H 101 8.717 8.824 -0.107 1
1 1213 . 17 1 1 A 101 101 GLN HA H 101 4.886 4.885 0.001 1
1 1220 . 17 1 1 A 101 101 GLN C C 101 175.390 174.358 1.032 1
1 1221 . 17 1 1 A 101 101 GLN CA C 101 54.934 53.860 1.074 1
1 1222 . 17 1 1 A 101 101 GLN CB C 101 32.222 31.705 0.517 1
1 1224 . 17 1 1 A 101 101 GLN N N 101 117.786 123.863 -6.077 1
1 1226 . 17 1 1 A 102 102 ALA H H 102 8.256 9.309 -1.053 1
1 1227 . 17 1 1 A 102 102 ALA HA H 102 4.862 4.752 0.110 1
1 1231 . 17 1 1 A 102 102 ALA C C 102 176.008 178.022 -2.014 1
1 1232 . 17 1 1 A 102 102 ALA CA C 102 50.098 51.275 -1.177 1
1 1233 . 17 1 1 A 102 102 ALA CB C 102 21.606 20.259 1.347 1
1 1234 . 17 1 1 A 102 102 ALA N N 102 128.068 129.379 -1.311 1
1 1235 . 17 1 1 A 103 103 ALA H H 103 9.255 8.851 0.404 1
1 1236 . 17 1 1 A 103 103 ALA HA H 103 4.247 4.092 0.155 1
1 1240 . 17 1 1 A 103 103 ALA C C 103 178.153 177.679 0.474 1
1 1241 . 17 1 1 A 103 103 ALA CA C 103 54.369 55.913 -1.544 1
1 1242 . 17 1 1 A 103 103 ALA CB C 103 20.377 18.755 1.622 1
1 1243 . 17 1 1 A 103 103 ALA N N 103 120.410 126.099 -5.689 1
1 1244 . 17 1 1 A 104 104 THR H H 104 7.149 7.863 -0.714 1
1 1245 . 17 1 1 A 104 104 THR HA H 104 4.846 4.795 0.051 1
1 1250 . 17 1 1 A 104 104 THR C C 104 173.354 173.776 -0.422 1
1 1251 . 17 1 1 A 104 104 THR CA C 104 57.810 59.085 -1.275 1
1 1252 . 17 1 1 A 104 104 THR CB C 104 71.496 70.242 1.254 1
1 1254 . 17 1 1 A 104 104 THR N N 104 103.106 108.893 -5.787 1
1 1255 . 17 1 1 A 105 105 PRO HA H 105 4.225 4.624 -0.399 1
1 1262 . 17 1 1 A 105 105 PRO C C 105 179.704 177.377 2.327 1
1 1263 . 17 1 1 A 105 105 PRO CA C 105 65.046 64.310 0.736 1
1 1264 . 17 1 1 A 105 105 PRO CB C 105 31.775 31.866 -0.091 1
1 1267 . 17 1 1 A 106 106 LYS H H 106 7.764 8.732 -0.968 1
1 1268 . 17 1 1 A 106 106 LYS HA H 106 4.036 4.142 -0.106 1
1 1277 . 17 1 1 A 106 106 LYS C C 106 177.959 178.862 -0.903 1
1 1278 . 17 1 1 A 106 106 LYS CA C 106 59.452 58.375 1.077 1
1 1279 . 17 1 1 A 106 106 LYS CB C 106 32.797 32.247 0.550 1
1 1283 . 17 1 1 A 106 106 LYS N N 106 119.261 115.710 3.551 1
1 1284 . 17 1 1 A 107 107 GLU H H 107 8.005 7.868 0.137 1
1 1285 . 17 1 1 A 107 107 GLU HA H 107 4.171 4.106 0.065 1
1 1290 . 17 1 1 A 107 107 GLU C C 107 178.529 178.888 -0.359 1
1 1291 . 17 1 1 A 107 107 GLU CA C 107 59.310 59.074 0.236 1
1 1292 . 17 1 1 A 107 107 GLU CB C 107 31.111 29.253 1.858 1
1 1294 . 17 1 1 A 107 107 GLU N N 107 119.293 119.544 -0.251 1
1 1295 . 17 1 1 A 108 108 ARG H H 108 7.810 7.561 0.249 1
1 1296 . 17 1 1 A 108 108 ARG HA H 108 3.603 4.360 -0.757 1
1 1303 . 17 1 1 A 108 108 ARG C C 108 176.287 179.030 -2.743 1
1 1304 . 17 1 1 A 108 108 ARG CA C 108 60.598 59.161 1.437 1
1 1305 . 17 1 1 A 108 108 ARG CB C 108 29.548 29.951 -0.403 1
1 1308 . 17 1 1 A 108 108 ARG N N 108 118.989 120.285 -1.296 1
1 1309 . 17 1 1 A 109 109 THR H H 109 8.195 8.236 -0.041 1
1 1310 . 17 1 1 A 109 109 THR HA H 109 3.645 3.772 -0.127 1
1 1315 . 17 1 1 A 109 109 THR C C 109 176.227 176.811 -0.584 1
1 1316 . 17 1 1 A 109 109 THR CA C 109 67.022 67.548 -0.526 1
1 1317 . 17 1 1 A 109 109 THR CB C 109 68.576 68.031 0.545 1
1 1319 . 17 1 1 A 109 109 THR N N 109 115.975 116.282 -0.307 1
1 1320 . 17 1 1 A 110 110 GLU H H 110 8.274 8.145 0.129 1
1 1321 . 17 1 1 A 110 110 GLU HA H 110 3.794 3.888 -0.094 1
1 1326 . 17 1 1 A 110 110 GLU C C 110 180.516 179.409 1.107 1
1 1327 . 17 1 1 A 110 110 GLU CA C 110 59.534 59.844 -0.310 1
1 1328 . 17 1 1 A 110 110 GLU CB C 110 29.507 29.297 0.210 1
1 1330 . 17 1 1 A 110 110 GLU N N 110 119.565 119.895 -0.330 1
1 1331 . 17 1 1 A 111 111 TRP H H 111 8.316 8.909 -0.593 1
1 1332 . 17 1 1 A 111 111 TRP HA H 111 3.912 4.334 -0.422 1
1 1341 . 17 1 1 A 111 111 TRP C C 111 178.020 178.464 -0.444 1
1 1342 . 17 1 1 A 111 111 TRP CA C 111 62.464 60.119 2.345 1
1 1343 . 17 1 1 A 111 111 TRP CB C 111 29.548 29.301 0.247 1
1 1349 . 17 1 1 A 111 111 TRP N N 111 120.868 120.572 0.296 1
1 1351 . 17 1 1 A 112 112 ILE H H 112 8.271 7.882 0.389 1
1 1352 . 17 1 1 A 112 112 ILE HA H 112 3.254 3.521 -0.267 1
1 1362 . 17 1 1 A 112 112 ILE C C 112 177.669 177.793 -0.124 1
1 1363 . 17 1 1 A 112 112 ILE CA C 112 67.040 64.999 2.041 1
1 1364 . 17 1 1 A 112 112 ILE CB C 112 37.856 37.503 0.353 1
1 1368 . 17 1 1 A 112 112 ILE N N 112 118.862 119.581 -0.719 1
1 1369 . 17 1 1 A 113 113 LYS H H 113 8.042 8.232 -0.190 1
1 1370 . 17 1 1 A 113 113 LYS HA H 113 3.991 3.974 0.017 1
1 1379 . 17 1 1 A 113 113 LYS C C 113 178.977 179.073 -0.096 1
1 1380 . 17 1 1 A 113 113 LYS CA C 113 59.328 59.565 -0.237 1
1 1381 . 17 1 1 A 113 113 LYS CB C 113 32.345 32.130 0.215 1
1 1385 . 17 1 1 A 113 113 LYS N N 113 117.182 119.790 -2.608 1
1 1386 . 17 1 1 A 114 114 ALA H H 114 7.686 8.875 -1.189 1
1 1387 . 17 1 1 A 114 114 ALA HA H 114 4.058 4.014 0.044 1
1 1391 . 17 1 1 A 114 114 ALA C C 114 179.849 179.994 -0.145 1
1 1392 . 17 1 1 A 114 114 ALA CA C 114 55.146 55.114 0.032 1
1 1393 . 17 1 1 A 114 114 ALA CB C 114 18.362 18.446 -0.084 1
1 1394 . 17 1 1 A 114 114 ALA N N 114 120.689 121.634 -0.945 1
1 1395 . 17 1 1 A 115 115 ILE H H 115 8.594 8.883 -0.289 1
1 1396 . 17 1 1 A 115 115 ILE HA H 115 3.534 3.591 -0.057 1
1 1406 . 17 1 1 A 115 115 ILE C C 115 178.432 178.161 0.271 1
1 1407 . 17 1 1 A 115 115 ILE CA C 115 66.016 65.342 0.674 1
1 1408 . 17 1 1 A 115 115 ILE CB C 115 38.390 37.742 0.648 1
1 1412 . 17 1 1 A 115 115 ILE N N 115 118.898 117.898 1.000 1
1 1413 . 17 1 1 A 116 116 GLN H H 116 8.732 8.401 0.331 1
1 1414 . 17 1 1 A 116 116 GLN HA H 116 3.851 4.283 -0.432 1
1 1421 . 17 1 1 A 116 116 GLN C C 116 179.655 178.257 1.398 1
1 1422 . 17 1 1 A 116 116 GLN CA C 116 59.575 58.926 0.649 1
1 1423 . 17 1 1 A 116 116 GLN CB C 116 28.222 28.457 -0.235 1
1 1425 . 17 1 1 A 116 116 GLN N N 116 119.877 118.905 0.972 1
1 1427 . 17 1 1 A 117 117 MET H H 117 8.279 8.721 -0.442 1
1 1428 . 17 1 1 A 117 117 MET HA H 117 4.155 3.963 0.192 1
1 1436 . 17 1 1 A 117 117 MET C C 117 179.123 178.027 1.096 1
1 1437 . 17 1 1 A 117 117 MET CA C 117 58.658 58.451 0.207 1
1 1438 . 17 1 1 A 117 117 MET CB C 117 31.934 32.470 -0.536 1
1 1441 . 17 1 1 A 117 117 MET N N 117 118.855 119.153 -0.298 1
1 1442 . 17 1 1 A 118 118 ALA H H 118 8.266 7.566 0.700 1
1 1443 . 17 1 1 A 118 118 ALA HA H 118 4.240 4.033 0.207 1
1 1447 . 17 1 1 A 118 118 ALA C C 118 178.820 179.676 -0.856 1
1 1448 . 17 1 1 A 118 118 ALA CA C 118 54.604 55.228 -0.624 1
1 1449 . 17 1 1 A 118 118 ALA CB C 118 18.627 18.751 -0.124 1
1 1450 . 17 1 1 A 118 118 ALA N N 118 121.702 122.067 -0.365 1
1 1451 . 17 1 1 A 119 119 SER H H 119 8.073 8.867 -0.794 1
1 1452 . 17 1 1 A 119 119 SER HA H 119 4.027 4.219 -0.192 1
1 1455 . 17 1 1 A 119 119 SER C C 119 174.663 177.162 -2.499 1
1 1456 . 17 1 1 A 119 119 SER CA C 119 60.122 61.846 -1.724 1
1 1457 . 17 1 1 A 119 119 SER CB C 119 64.299 62.626 1.673 1
1 1458 . 17 1 1 A 119 119 SER N N 119 110.080 112.897 -2.817 1
1 1459 . 17 1 1 A 120 120 ARG H H 120 7.345 8.655 -1.310 1
1 1460 . 17 1 1 A 120 120 ARG HA H 120 4.383 4.094 0.289 1
1 1467 . 17 1 1 A 120 120 ARG C C 120 176.372 179.299 -2.927 1
1 1468 . 17 1 1 A 120 120 ARG CA C 120 56.681 59.226 -2.545 1
1 1469 . 17 1 1 A 120 120 ARG CB C 120 30.248 29.640 0.608 1
1 1472 . 17 1 1 A 120 120 ARG N N 120 120.244 122.623 -2.379 1
1 1473 . 17 1 1 A 121 121 THR H H 121 8.070 8.493 -0.423 1
1 1474 . 17 1 1 A 121 121 THR HA H 121 4.365 3.920 0.445 1
1 1479 . 17 1 1 A 121 121 THR C C 121 175.281 176.736 -1.455 1
1 1480 . 17 1 1 A 121 121 THR CA C 121 62.557 65.621 -3.064 1
1 1481 . 17 1 1 A 121 121 THR CB C 121 70.298 68.785 1.513 1
1 1483 . 17 1 1 A 121 121 THR N N 121 114.024 114.664 -0.640 1
1 1484 . 17 1 1 A 122 122 GLY H H 122 8.520 7.999 0.521 1
1 1485 . 17 1 1 A 122 122 GLY HA2 H 122 4.005 3.763 0.242 1
1 1486 . 17 1 1 A 122 122 GLY HA3 H 122 4.005 3.791 0.214 1
1 1487 . 17 1 1 A 122 122 GLY C C 122 174.118 174.488 -0.370 1
1 1488 . 17 1 1 A 122 122 GLY CA C 122 45.351 46.348 -0.997 1
1 1489 . 17 1 1 A 122 122 GLY N N 122 111.123 106.960 4.163 1
1 1490 . 17 1 1 A 123 123 LYS H H 123 8.309 8.249 0.060 1
1 1491 . 17 1 1 A 123 123 LYS HA H 123 4.364 4.661 -0.297 1
1 1500 . 17 1 1 A 123 123 LYS C C 123 176.772 175.924 0.848 1
1 1501 . 17 1 1 A 123 123 LYS CA C 123 56.310 55.655 0.655 1
1 1502 . 17 1 1 A 123 123 LYS CB C 123 33.167 35.609 -2.442 1
1 1506 . 17 1 1 A 123 123 LYS N N 123 121.100 117.717 3.383 1
1 1507 . 17 1 1 A 124 124 SER H H 124 8.453 8.867 -0.414 1
1 1508 . 17 1 1 A 124 124 SER HA H 124 4.489 4.245 0.244 1
1 1509 . 17 1 1 A 124 124 SER C C 124 174.518 174.385 0.133 1
1 1510 . 17 1 1 A 124 124 SER CA C 124 58.357 60.208 -1.851 1
1 1511 . 17 1 1 A 124 124 SER CB C 124 64.052 63.555 0.497 1
1 1512 . 17 1 1 A 124 124 SER N N 124 117.316 120.051 -2.735 1
1 1513 . 17 1 1 A 125 125 GLY H H 125 8.278 7.656 0.622 1
1 1514 . 17 1 1 A 125 125 GLY HA2 H 125 4.154 4.101 0.053 1
1 1515 . 17 1 1 A 125 125 GLY HA3 H 125 4.102 4.103 -0.001 1
1 1516 . 17 1 1 A 125 125 GLY C C 125 171.827 173.094 -1.267 1
1 1517 . 17 1 1 A 125 125 GLY CA C 125 44.680 44.270 0.410 1
1 1518 . 17 1 1 A 125 125 GLY N N 125 110.670 108.250 2.420 1
1 1519 . 17 1 1 A 126 126 PRO HA H 126 4.461 4.607 -0.146 1
1 1526 . 17 1 1 A 126 126 PRO C C 126 177.426 175.247 2.179 1
1 1527 . 17 1 1 A 126 126 PRO CA C 126 63.281 62.700 0.581 1
1 1528 . 17 1 1 A 126 126 PRO CB C 126 32.263 29.352 2.911 1
1 1531 . 17 1 1 A 127 127 SER H H 127 8.556 8.644 -0.088 1
1 1532 . 17 1 1 A 127 127 SER HA H 127 4.489 4.802 -0.313 1
1 1535 . 17 1 1 A 127 127 SER C C 127 174.651 172.412 2.239 1
1 1536 . 17 1 1 A 127 127 SER CA C 127 58.410 57.782 0.628 1
1 1537 . 17 1 1 A 127 127 SER CB C 127 63.682 64.893 -1.211 1
1 1538 . 17 1 1 A 127 127 SER N N 127 116.423 118.621 -2.198 1
1 1539 . 17 1 1 A 128 128 SER H H 128 8.313 8.963 -0.650 1
1 1540 . 17 1 1 A 128 128 SER HA H 128 4.489 5.367 -0.878 1
1 1543 . 17 1 1 A 128 128 SER C C 128 173.936 173.479 0.457 1
1 1544 . 17 1 1 A 128 128 SER CA C 128 58.393 56.737 1.656 1
1 1545 . 17 1 1 A 128 128 SER CB C 128 64.052 64.803 -0.751 1
1 1546 . 17 1 1 A 128 128 SER N N 128 117.750 120.450 -2.700 1
1 1 . 18 1 1 A 6 6 SER HA H 6 4.475 4.727 -0.252 1
1 4 . 18 1 1 A 6 6 SER C C 6 174.978 173.772 1.206 1
1 5 . 18 1 1 A 6 6 SER CA C 6 58.657 58.635 0.022 1
1 6 . 18 1 1 A 6 6 SER CB C 6 63.682 63.515 0.167 1
1 7 . 18 1 1 A 7 7 GLY H H 7 8.385 8.414 -0.029 1
1 8 . 18 1 1 A 7 7 GLY HA2 H 7 3.947 4.227 -0.280 1
1 9 . 18 1 1 A 7 7 GLY HA3 H 7 3.947 4.229 -0.282 1
1 10 . 18 1 1 A 7 7 GLY C C 7 173.900 172.023 1.877 1
1 11 . 18 1 1 A 7 7 GLY CA C 7 45.280 45.773 -0.493 1
1 12 . 18 1 1 A 7 7 GLY N N 7 110.753 113.100 -2.347 1
1 13 . 18 1 1 A 8 8 VAL H H 8 7.896 8.335 -0.439 1
1 14 . 18 1 1 A 8 8 VAL HA H 8 4.046 4.949 -0.903 1
1 22 . 18 1 1 A 8 8 VAL C C 8 175.948 175.453 0.495 1
1 23 . 18 1 1 A 8 8 VAL CA C 8 62.399 60.017 2.382 1
1 24 . 18 1 1 A 8 8 VAL CB C 8 32.904 35.024 -2.120 1
1 27 . 18 1 1 A 8 8 VAL N N 8 119.771 121.522 -1.751 1
1 28 . 18 1 1 A 9 9 ILE H H 9 8.253 8.350 -0.097 1
1 29 . 18 1 1 A 9 9 ILE HA H 9 4.103 4.051 0.052 1
1 39 . 18 1 1 A 9 9 ILE C C 9 175.984 176.334 -0.350 1
1 40 . 18 1 1 A 9 9 ILE CA C 9 60.657 62.207 -1.550 1
1 41 . 18 1 1 A 9 9 ILE CB C 9 38.349 38.200 0.149 1
1 45 . 18 1 1 A 9 9 ILE N N 9 125.791 124.698 1.093 1
1 46 . 18 1 1 A 10 10 LEU H H 10 8.374 8.268 0.106 1
1 47 . 18 1 1 A 10 10 LEU HA H 10 4.379 4.690 -0.311 1
1 57 . 18 1 1 A 10 10 LEU C C 10 177.171 176.557 0.614 1
1 58 . 18 1 1 A 10 10 LEU CA C 10 54.598 54.523 0.075 1
1 59 . 18 1 1 A 10 10 LEU CB C 10 42.873 42.693 0.180 1
1 63 . 18 1 1 A 10 10 LEU N N 10 127.929 127.977 -0.048 1
1 64 . 18 1 1 A 11 11 LYS H H 11 8.414 8.500 -0.086 1
1 65 . 18 1 1 A 11 11 LYS HA H 11 4.214 4.309 -0.095 1
1 74 . 18 1 1 A 11 11 LYS C C 11 177.244 177.028 0.216 1
1 75 . 18 1 1 A 11 11 LYS CA C 11 57.051 56.033 1.018 1
1 76 . 18 1 1 A 11 11 LYS CB C 11 33.332 33.111 0.221 1
1 80 . 18 1 1 A 11 11 LYS N N 11 123.211 127.635 -4.424 1
1 81 . 18 1 1 A 12 12 GLU H H 12 8.629 8.642 -0.013 1
1 82 . 18 1 1 A 12 12 GLU HA H 12 3.745 4.506 -0.761 1
1 87 . 18 1 1 A 12 12 GLU C C 12 177.366 178.887 -1.521 1
1 88 . 18 1 1 A 12 12 GLU CA C 12 59.663 57.302 2.361 1
1 89 . 18 1 1 A 12 12 GLU CB C 12 29.672 30.515 -0.843 1
1 91 . 18 1 1 A 12 12 GLU N N 12 122.998 121.181 1.817 1
1 92 . 18 1 1 A 13 13 GLU H H 13 8.043 8.388 -0.345 1
1 93 . 18 1 1 A 13 13 GLU HA H 13 3.333 4.237 -0.904 1
1 98 . 18 1 1 A 13 13 GLU C C 13 175.451 177.254 -1.803 1
1 99 . 18 1 1 A 13 13 GLU CA C 13 57.634 58.449 -0.815 1
1 100 . 18 1 1 A 13 13 GLU CB C 13 28.567 28.009 0.558 1
1 102 . 18 1 1 A 13 13 GLU N N 13 113.498 119.191 -5.693 1
1 103 . 18 1 1 A 14 14 PHE H H 14 7.483 7.987 -0.504 1
1 104 . 18 1 1 A 14 14 PHE HA H 14 4.650 4.580 0.070 1
1 112 . 18 1 1 A 14 14 PHE C C 14 175.657 176.346 -0.689 1
1 113 . 18 1 1 A 14 14 PHE CA C 14 56.187 57.279 -1.092 1
1 114 . 18 1 1 A 14 14 PHE CB C 14 39.665 37.911 1.754 1
1 120 . 18 1 1 A 14 14 PHE N N 14 115.879 118.314 -2.435 1
1 121 . 18 1 1 A 15 15 ARG H H 15 7.757 8.152 -0.395 1
1 122 . 18 1 1 A 15 15 ARG HA H 15 4.154 4.532 -0.378 1
1 129 . 18 1 1 A 15 15 ARG C C 15 177.353 175.571 1.782 1
1 130 . 18 1 1 A 15 15 ARG CA C 15 58.092 55.731 2.361 1
1 131 . 18 1 1 A 15 15 ARG CB C 15 31.193 28.473 2.720 1
1 134 . 18 1 1 A 15 15 ARG N N 15 118.945 119.828 -0.883 1
1 135 . 18 1 1 A 16 16 GLY H H 16 8.812 8.062 0.750 1
1 136 . 18 1 1 A 16 16 GLY HA2 H 16 4.194 4.279 -0.085 1
1 137 . 18 1 1 A 16 16 GLY HA3 H 16 3.824 4.307 -0.483 1
1 138 . 18 1 1 A 16 16 GLY C C 16 173.427 171.739 1.688 1
1 139 . 18 1 1 A 16 16 GLY CA C 16 45.157 45.981 -0.824 1
1 140 . 18 1 1 A 16 16 GLY N N 16 109.133 108.692 0.441 1
1 141 . 18 1 1 A 17 17 VAL H H 17 8.308 7.973 0.335 1
1 142 . 18 1 1 A 17 17 VAL HA H 17 4.060 4.962 -0.902 1
1 150 . 18 1 1 A 17 17 VAL C C 17 176.469 174.444 2.025 1
1 151 . 18 1 1 A 17 17 VAL CA C 17 62.098 59.402 2.696 1
1 152 . 18 1 1 A 17 17 VAL CB C 17 33.414 36.102 -2.688 1
1 155 . 18 1 1 A 17 17 VAL N N 17 120.815 119.326 1.489 1
1 156 . 18 1 1 A 18 18 ILE H H 18 8.547 8.820 -0.273 1
1 157 . 18 1 1 A 18 18 ILE HA H 18 4.186 4.870 -0.684 1
1 167 . 18 1 1 A 18 18 ILE C C 18 177.208 176.537 0.671 1
1 168 . 18 1 1 A 18 18 ILE CA C 18 63.175 59.972 3.203 1
1 169 . 18 1 1 A 18 18 ILE CB C 18 38.596 39.363 -0.767 1
1 173 . 18 1 1 A 18 18 ILE N N 18 125.006 124.432 0.574 1
1 174 . 18 1 1 A 19 19 ILE H H 19 9.127 8.517 0.610 1
1 175 . 18 1 1 A 19 19 ILE HA H 19 4.461 4.439 0.022 1
1 185 . 18 1 1 A 19 19 ILE C C 19 176.081 175.486 0.595 1
1 186 . 18 1 1 A 19 19 ILE CA C 19 60.298 61.202 -0.904 1
1 187 . 18 1 1 A 19 19 ILE CB C 19 39.665 40.067 -0.402 1
1 191 . 18 1 1 A 19 19 ILE N N 19 124.358 120.235 4.123 1
1 192 . 18 1 1 A 20 20 LYS H H 20 7.620 7.782 -0.162 1
1 193 . 18 1 1 A 20 20 LYS HA H 20 4.325 4.730 -0.405 1
1 202 . 18 1 1 A 20 20 LYS C C 20 172.760 174.325 -1.565 1
1 203 . 18 1 1 A 20 20 LYS CA C 20 57.298 54.953 2.345 1
1 204 . 18 1 1 A 20 20 LYS CB C 20 36.458 35.631 0.827 1
1 208 . 18 1 1 A 20 20 LYS N N 20 121.749 121.880 -0.131 1
1 209 . 18 1 1 A 21 21 GLN H H 21 8.572 8.455 0.117 1
1 210 . 18 1 1 A 21 21 GLN HA H 21 5.927 5.429 0.498 1
1 217 . 18 1 1 A 21 21 GLN C C 21 175.124 174.749 0.375 1
1 218 . 18 1 1 A 21 21 GLN CA C 21 54.227 54.782 -0.555 1
1 219 . 18 1 1 A 21 21 GLN CB C 21 33.369 33.389 -0.020 1
1 221 . 18 1 1 A 21 21 GLN N N 21 121.653 124.390 -2.737 1
1 223 . 18 1 1 A 22 22 GLY H H 22 9.178 8.302 0.876 1
1 224 . 18 1 1 A 22 22 GLY HA2 H 22 4.904 4.345 0.559 1
1 225 . 18 1 1 A 22 22 GLY HA3 H 22 4.447 4.439 0.008 1
1 226 . 18 1 1 A 22 22 GLY C C 22 172.300 172.119 0.181 1
1 227 . 18 1 1 A 22 22 GLY CA C 22 45.650 45.425 0.225 1
1 228 . 18 1 1 A 22 22 GLY N N 22 108.544 108.691 -0.147 1
1 229 . 18 1 1 A 23 23 CYS H H 23 9.262 8.309 0.953 1
1 230 . 18 1 1 A 23 23 CYS HA H 23 5.904 5.767 0.137 1
1 233 . 18 1 1 A 23 23 CYS C C 23 175.293 173.799 1.494 1
1 234 . 18 1 1 A 23 23 CYS CA C 23 59.222 58.155 1.067 1
1 235 . 18 1 1 A 23 23 CYS CB C 23 29.260 29.823 -0.563 1
1 236 . 18 1 1 A 23 23 CYS N N 23 118.575 119.570 -0.995 1
1 237 . 18 1 1 A 24 24 LEU H H 24 9.131 9.568 -0.437 1
1 238 . 18 1 1 A 24 24 LEU HA H 24 4.627 4.861 -0.234 1
1 248 . 18 1 1 A 24 24 LEU C C 24 175.354 175.542 -0.188 1
1 249 . 18 1 1 A 24 24 LEU CA C 24 53.963 53.628 0.335 1
1 250 . 18 1 1 A 24 24 LEU CB C 24 47.315 45.773 1.542 1
1 254 . 18 1 1 A 24 24 LEU N N 24 122.880 122.803 0.077 1
1 255 . 18 1 1 A 25 25 LEU H H 25 7.968 9.004 -1.036 1
1 256 . 18 1 1 A 25 25 LEU HA H 25 5.056 5.393 -0.337 1
1 266 . 18 1 1 A 25 25 LEU C C 25 175.766 175.198 0.568 1
1 267 . 18 1 1 A 25 25 LEU CA C 25 54.810 54.214 0.596 1
1 268 . 18 1 1 A 25 25 LEU CB C 25 44.065 42.156 1.909 1
1 272 . 18 1 1 A 25 25 LEU N N 25 119.755 123.340 -3.585 1
1 273 . 18 1 1 A 26 26 LYS H H 26 9.307 8.513 0.794 1
1 274 . 18 1 1 A 26 26 LYS HA H 26 5.166 4.866 0.300 1
1 283 . 18 1 1 A 26 26 LYS C C 26 175.778 176.082 -0.304 1
1 284 . 18 1 1 A 26 26 LYS CA C 26 54.687 55.461 -0.774 1
1 285 . 18 1 1 A 26 26 LYS CB C 26 37.033 33.918 3.115 1
1 289 . 18 1 1 A 26 26 LYS N N 26 122.635 126.324 -3.689 1
1 290 . 18 1 1 A 27 27 GLN H H 27 8.228 8.143 0.085 1
1 291 . 18 1 1 A 27 27 GLN HA H 27 3.839 4.431 -0.592 1
1 298 . 18 1 1 A 27 27 GLN C C 27 176.869 175.670 1.199 1
1 299 . 18 1 1 A 27 27 GLN CA C 27 55.922 54.872 1.050 1
1 300 . 18 1 1 A 27 27 GLN CB C 27 29.589 30.059 -0.470 1
1 302 . 18 1 1 A 27 27 GLN N N 27 132.145 125.643 6.502 1
1 304 . 18 1 1 A 28 28 GLY H H 28 8.434 8.355 0.079 1
1 305 . 18 1 1 A 28 28 GLY HA2 H 28 4.144 4.121 0.023 1
1 306 . 18 1 1 A 28 28 GLY HA3 H 28 3.999 4.170 -0.171 1
1 307 . 18 1 1 A 28 28 GLY CA C 28 45.457 45.562 -0.105 1
1 308 . 18 1 1 A 28 28 GLY N N 28 114.691 108.401 6.290 1
1 309 . 18 1 1 A 29 29 HIS HA H 29 4.352 4.750 -0.398 1
1 314 . 18 1 1 A 29 29 HIS CA C 29 58.505 53.967 4.538 1
1 315 . 18 1 1 A 29 29 HIS CB C 29 30.967 29.624 1.343 1
1 318 . 18 1 1 A 30 30 ARG HA H 30 4.114 4.319 -0.205 1
1 325 . 18 1 1 A 30 30 ARG CA C 30 56.429 55.991 0.438 1
1 326 . 18 1 1 A 30 30 ARG CB C 30 29.591 32.111 -2.520 1
1 329 . 18 1 1 A 31 31 ARG HA H 31 3.774 3.985 -0.211 1
1 336 . 18 1 1 A 31 31 ARG C C 31 175.536 175.319 0.217 1
1 337 . 18 1 1 A 31 31 ARG CA C 31 55.922 56.867 -0.945 1
1 338 . 18 1 1 A 31 31 ARG CB C 31 29.302 28.345 0.957 1
1 341 . 18 1 1 A 32 32 LYS H H 32 8.011 7.879 0.132 1
1 342 . 18 1 1 A 32 32 LYS HA H 32 4.164 4.546 -0.382 1
1 351 . 18 1 1 A 32 32 LYS C C 32 175.741 175.625 0.116 1
1 352 . 18 1 1 A 32 32 LYS CA C 32 56.239 57.577 -1.338 1
1 353 . 18 1 1 A 32 32 LYS CB C 32 32.016 35.258 -3.242 1
1 357 . 18 1 1 A 32 32 LYS N N 32 117.463 120.362 -2.899 1
1 358 . 18 1 1 A 33 33 ASN H H 33 7.870 7.729 0.141 1
1 359 . 18 1 1 A 33 33 ASN HA H 33 4.807 5.190 -0.383 1
1 364 . 18 1 1 A 33 33 ASN C C 33 173.681 173.805 -0.124 1
1 365 . 18 1 1 A 33 33 ASN CA C 33 52.551 52.717 -0.166 1
1 366 . 18 1 1 A 33 33 ASN CB C 33 39.830 41.490 -1.660 1
1 367 . 18 1 1 A 33 33 ASN N N 33 117.522 115.061 2.461 1
1 369 . 18 1 1 A 34 34 TRP H H 34 8.704 8.945 -0.241 1
1 370 . 18 1 1 A 34 34 TRP HA H 34 4.807 5.062 -0.255 1
1 379 . 18 1 1 A 34 34 TRP C C 34 176.129 175.841 0.288 1
1 380 . 18 1 1 A 34 34 TRP CA C 34 56.540 57.296 -0.756 1
1 381 . 18 1 1 A 34 34 TRP CB C 34 31.399 30.968 0.431 1
1 387 . 18 1 1 A 34 34 TRP N N 34 121.620 120.012 1.608 1
1 389 . 18 1 1 A 35 35 LYS H H 35 8.457 8.837 -0.380 1
1 390 . 18 1 1 A 35 35 LYS HA H 35 4.876 4.840 0.036 1
1 399 . 18 1 1 A 35 35 LYS C C 35 176.081 175.000 1.081 1
1 400 . 18 1 1 A 35 35 LYS CA C 35 54.298 55.498 -1.200 1
1 401 . 18 1 1 A 35 35 LYS CB C 35 36.498 36.429 0.069 1
1 405 . 18 1 1 A 35 35 LYS N N 35 120.816 121.031 -0.215 1
1 406 . 18 1 1 A 36 36 VAL H H 36 8.974 8.671 0.303 1
1 407 . 18 1 1 A 36 36 VAL HA H 36 4.254 4.556 -0.302 1
1 415 . 18 1 1 A 36 36 VAL C C 36 176.808 176.102 0.706 1
1 416 . 18 1 1 A 36 36 VAL CA C 36 63.828 62.202 1.626 1
1 417 . 18 1 1 A 36 36 VAL CB C 36 31.687 32.162 -0.475 1
1 420 . 18 1 1 A 36 36 VAL N N 36 123.825 127.466 -3.641 1
1 421 . 18 1 1 A 37 37 ARG H H 37 9.327 8.976 0.351 1
1 422 . 18 1 1 A 37 37 ARG HA H 37 4.930 4.946 -0.016 1
1 427 . 18 1 1 A 37 37 ARG C C 37 173.815 174.532 -0.717 1
1 428 . 18 1 1 A 37 37 ARG CA C 37 54.351 54.547 -0.196 1
1 429 . 18 1 1 A 37 37 ARG CB C 37 34.709 34.224 0.485 1
1 432 . 18 1 1 A 37 37 ARG N N 37 128.926 125.701 3.225 1
1 433 . 18 1 1 A 38 38 LYS H H 38 8.714 8.524 0.190 1
1 434 . 18 1 1 A 38 38 LYS HA H 38 4.959 4.912 0.047 1
1 443 . 18 1 1 A 38 38 LYS C C 38 175.075 175.217 -0.142 1
1 444 . 18 1 1 A 38 38 LYS CA C 38 55.869 56.426 -0.557 1
1 445 . 18 1 1 A 38 38 LYS CB C 38 34.072 33.784 0.288 1
1 449 . 18 1 1 A 38 38 LYS N N 38 121.669 123.085 -1.416 1
1 450 . 18 1 1 A 39 39 PHE H H 39 9.751 10.313 -0.562 1
1 451 . 18 1 1 A 39 39 PHE HA H 39 5.591 5.262 0.329 1
1 459 . 18 1 1 A 39 39 PHE C C 39 175.414 174.855 0.559 1
1 460 . 18 1 1 A 39 39 PHE CA C 39 57.474 56.842 0.632 1
1 461 . 18 1 1 A 39 39 PHE CB C 39 42.667 41.538 1.129 1
1 467 . 18 1 1 A 39 39 PHE N N 39 127.216 124.357 2.859 1
1 468 . 18 1 1 A 40 40 ILE H H 40 9.246 10.613 -1.367 1
1 469 . 18 1 1 A 40 40 ILE HA H 40 4.864 5.183 -0.319 1
1 479 . 18 1 1 A 40 40 ILE C C 40 174.724 174.417 0.307 1
1 480 . 18 1 1 A 40 40 ILE CA C 40 62.134 60.111 2.023 1
1 481 . 18 1 1 A 40 40 ILE CB C 40 41.022 39.960 1.062 1
1 485 . 18 1 1 A 40 40 ILE N N 40 119.337 124.050 -4.713 1
1 486 . 18 1 1 A 41 41 LEU H H 41 9.549 9.616 -0.067 1
1 487 . 18 1 1 A 41 41 LEU HA H 41 5.485 5.365 0.120 1
1 497 . 18 1 1 A 41 41 LEU C C 41 174.457 175.252 -0.795 1
1 498 . 18 1 1 A 41 41 LEU CA C 41 54.004 53.684 0.320 1
1 499 . 18 1 1 A 41 41 LEU CB C 41 45.299 45.508 -0.209 1
1 503 . 18 1 1 A 41 41 LEU N N 41 132.451 130.872 1.579 1
1 504 . 18 1 1 A 42 42 ARG H H 42 9.383 9.350 0.033 1
1 505 . 18 1 1 A 42 42 ARG HA H 42 5.492 5.424 0.068 1
1 513 . 18 1 1 A 42 42 ARG C C 42 174.893 175.290 -0.397 1
1 514 . 18 1 1 A 42 42 ARG CA C 42 54.421 54.566 -0.145 1
1 515 . 18 1 1 A 42 42 ARG CB C 42 35.470 33.659 1.811 1
1 518 . 18 1 1 A 42 42 ARG N N 42 128.467 124.719 3.748 1
1 520 . 18 1 1 A 43 43 GLU H H 43 8.259 8.334 -0.075 1
1 521 . 18 1 1 A 43 43 GLU HA H 43 4.366 4.799 -0.433 1
1 526 . 18 1 1 A 43 43 GLU C C 43 174.893 175.879 -0.986 1
1 527 . 18 1 1 A 43 43 GLU CA C 43 54.898 55.612 -0.714 1
1 528 . 18 1 1 A 43 43 GLU CB C 43 33.102 31.195 1.907 1
1 530 . 18 1 1 A 43 43 GLU N N 43 115.434 120.608 -5.174 1
1 531 . 18 1 1 A 44 44 ASP H H 44 7.870 9.031 -1.161 1
1 532 . 18 1 1 A 44 44 ASP HA H 44 4.433 4.274 0.159 1
1 535 . 18 1 1 A 44 44 ASP C C 44 172.991 174.246 -1.255 1
1 536 . 18 1 1 A 44 44 ASP CA C 44 53.892 54.965 -1.073 1
1 537 . 18 1 1 A 44 44 ASP CB C 44 41.146 39.663 1.483 1
1 538 . 18 1 1 A 44 44 ASP N N 44 114.444 120.105 -5.661 1
1 539 . 18 1 1 A 45 45 PRO HA H 45 4.710 4.586 0.124 1
1 546 . 18 1 1 A 45 45 PRO C C 45 176.747 175.534 1.213 1
1 547 . 18 1 1 A 45 45 PRO CA C 45 63.246 62.630 0.616 1
1 548 . 18 1 1 A 45 45 PRO CB C 45 34.977 32.685 2.292 1
1 551 . 18 1 1 A 46 46 ALA H H 46 8.356 8.231 0.125 1
1 552 . 18 1 1 A 46 46 ALA HA H 46 5.049 4.829 0.220 1
1 556 . 18 1 1 A 46 46 ALA C C 46 175.499 176.244 -0.745 1
1 557 . 18 1 1 A 46 46 ALA CA C 46 51.545 50.940 0.605 1
1 558 . 18 1 1 A 46 46 ALA CB C 46 19.655 19.706 -0.051 1
1 559 . 18 1 1 A 46 46 ALA N N 46 122.969 123.335 -0.366 1
1 560 . 18 1 1 A 47 47 TYR H H 47 8.047 9.411 -1.364 1
1 561 . 18 1 1 A 47 47 TYR HA H 47 5.097 5.284 -0.187 1
1 568 . 18 1 1 A 47 47 TYR C C 47 173.730 174.523 -0.793 1
1 569 . 18 1 1 A 47 47 TYR CA C 47 57.563 56.346 1.217 1
1 570 . 18 1 1 A 47 47 TYR CB C 47 45.711 43.676 2.035 1
1 575 . 18 1 1 A 47 47 TYR N N 47 126.550 121.236 5.314 1
1 576 . 18 1 1 A 48 48 LEU H H 48 8.776 8.435 0.341 1
1 577 . 18 1 1 A 48 48 LEU HA H 48 5.578 5.303 0.275 1
1 587 . 18 1 1 A 48 48 LEU C C 48 175.039 174.674 0.365 1
1 588 . 18 1 1 A 48 48 LEU CA C 48 53.134 54.085 -0.951 1
1 589 . 18 1 1 A 48 48 LEU CB C 48 46.369 45.388 0.981 1
1 593 . 18 1 1 A 48 48 LEU N N 48 120.864 122.269 -1.405 1
1 594 . 18 1 1 A 49 49 HIS H H 49 8.974 9.382 -0.408 1
1 595 . 18 1 1 A 49 49 HIS HA H 49 5.181 5.035 0.146 1
1 600 . 18 1 1 A 49 49 HIS C C 49 174.712 173.933 0.779 1
1 601 . 18 1 1 A 49 49 HIS CA C 49 57.916 54.324 3.592 1
1 602 . 18 1 1 A 49 49 HIS CB C 49 35.347 32.177 3.170 1
1 605 . 18 1 1 A 49 49 HIS N N 49 124.417 126.386 -1.969 1
1 606 . 18 1 1 A 50 50 TYR H H 50 7.348 8.128 -0.780 1
1 607 . 18 1 1 A 50 50 TYR HA H 50 5.909 5.575 0.334 1
1 614 . 18 1 1 A 50 50 TYR C C 50 174.239 172.925 1.314 1
1 615 . 18 1 1 A 50 50 TYR CA C 50 53.610 55.072 -1.462 1
1 616 . 18 1 1 A 50 50 TYR CB C 50 40.077 40.767 -0.690 1
1 621 . 18 1 1 A 50 50 TYR N N 50 114.323 118.683 -4.360 1
1 622 . 18 1 1 A 51 51 TYR H H 51 9.230 9.282 -0.052 1
1 623 . 18 1 1 A 51 51 TYR HA H 51 4.555 5.004 -0.449 1
1 630 . 18 1 1 A 51 51 TYR C C 51 175.572 175.001 0.571 1
1 631 . 18 1 1 A 51 51 TYR CA C 51 57.175 56.953 0.222 1
1 632 . 18 1 1 A 51 51 TYR CB C 51 42.709 41.486 1.223 1
1 637 . 18 1 1 A 51 51 TYR N N 51 117.695 121.834 -4.139 1
1 638 . 18 1 1 A 52 52 ASP H H 52 9.390 8.604 0.786 1
1 639 . 18 1 1 A 52 52 ASP HA H 52 4.937 4.836 0.101 1
1 642 . 18 1 1 A 52 52 ASP CA C 52 52.057 52.172 -0.115 1
1 643 . 18 1 1 A 52 52 ASP CB C 52 42.197 41.794 0.403 1
1 644 . 18 1 1 A 52 52 ASP N N 52 123.964 122.758 1.206 1
1 645 . 18 1 1 A 53 53 PRO HA H 53 4.274 4.394 -0.120 1
1 652 . 18 1 1 A 53 53 PRO C C 53 176.360 178.488 -2.128 1
1 653 . 18 1 1 A 53 53 PRO CA C 53 64.728 65.857 -1.129 1
1 654 . 18 1 1 A 53 53 PRO CB C 53 32.016 31.865 0.151 1
1 657 . 18 1 1 A 54 54 ALA H H 54 8.384 8.212 0.172 1
1 658 . 18 1 1 A 54 54 ALA HA H 54 4.492 4.127 0.365 1
1 662 . 18 1 1 A 54 54 ALA C C 54 177.620 177.741 -0.121 1
1 663 . 18 1 1 A 54 54 ALA CA C 54 52.022 53.742 -1.720 1
1 664 . 18 1 1 A 54 54 ALA CB C 54 19.202 19.403 -0.201 1
1 665 . 18 1 1 A 54 54 ALA N N 54 120.140 119.344 0.796 1
1 666 . 18 1 1 A 55 55 GLY H H 55 7.710 7.248 0.462 1
1 667 . 18 1 1 A 55 55 GLY HA2 H 55 4.194 4.040 0.154 1
1 668 . 18 1 1 A 55 55 GLY HA3 H 55 3.833 4.042 -0.209 1
1 669 . 18 1 1 A 55 55 GLY C C 55 173.524 171.915 1.609 1
1 670 . 18 1 1 A 55 55 GLY CA C 55 45.421 45.114 0.307 1
1 671 . 18 1 1 A 55 55 GLY N N 55 107.828 103.493 4.335 1
1 672 . 18 1 1 A 56 56 ALA H H 56 8.339 8.327 0.012 1
1 673 . 18 1 1 A 56 56 ALA HA H 56 4.378 4.816 -0.438 1
1 677 . 18 1 1 A 56 56 ALA C C 56 177.741 176.250 1.491 1
1 678 . 18 1 1 A 56 56 ALA CA C 56 52.410 51.390 1.020 1
1 679 . 18 1 1 A 56 56 ALA CB C 56 19.843 22.976 -3.133 1
1 680 . 18 1 1 A 56 56 ALA N N 56 125.269 122.835 2.434 1
1 681 . 18 1 1 A 57 57 GLU H H 57 8.567 9.025 -0.458 1
1 682 . 18 1 1 A 57 57 GLU HA H 57 4.160 4.494 -0.334 1
1 687 . 18 1 1 A 57 57 GLU C C 57 176.335 175.378 0.957 1
1 688 . 18 1 1 A 57 57 GLU CA C 57 57.616 58.038 -0.422 1
1 689 . 18 1 1 A 57 57 GLU CB C 57 30.083 32.167 -2.084 1
1 691 . 18 1 1 A 57 57 GLU N N 57 119.341 118.297 1.044 1
1 692 . 18 1 1 A 58 58 ASP H H 58 7.718 8.000 -0.282 1
1 693 . 18 1 1 A 58 58 ASP HA H 58 5.010 4.996 0.014 1
1 696 . 18 1 1 A 58 58 ASP C C 58 173.209 174.358 -1.149 1
1 697 . 18 1 1 A 58 58 ASP CA C 58 52.128 52.436 -0.308 1
1 698 . 18 1 1 A 58 58 ASP CB C 58 40.981 40.161 0.820 1
1 699 . 18 1 1 A 58 58 ASP N N 58 118.499 119.258 -0.759 1
1 700 . 18 1 1 A 59 59 PRO HA H 59 3.493 4.221 -0.728 1
1 707 . 18 1 1 A 59 59 PRO C C 59 177.111 177.844 -0.733 1
1 708 . 18 1 1 A 59 59 PRO CA C 59 63.069 62.345 0.724 1
1 709 . 18 1 1 A 59 59 PRO CB C 59 31.229 31.413 -0.184 1
1 712 . 18 1 1 A 60 60 LEU H H 60 8.770 8.436 0.334 1
1 713 . 18 1 1 A 60 60 LEU HA H 60 4.114 3.928 0.186 1
1 723 . 18 1 1 A 60 60 LEU C C 60 177.268 176.642 0.626 1
1 724 . 18 1 1 A 60 60 LEU CA C 60 55.181 56.951 -1.770 1
1 725 . 18 1 1 A 60 60 LEU CB C 60 42.750 42.116 0.634 1
1 729 . 18 1 1 A 60 60 LEU N N 60 121.907 122.171 -0.264 1
1 730 . 18 1 1 A 61 61 GLY H H 61 6.472 6.562 -0.090 1
1 731 . 18 1 1 A 61 61 GLY HA2 H 61 3.798 3.897 -0.099 1
1 732 . 18 1 1 A 61 61 GLY HA3 H 61 3.382 3.946 -0.564 1
1 733 . 18 1 1 A 61 61 GLY C C 61 169.367 170.446 -1.079 1
1 734 . 18 1 1 A 61 61 GLY CA C 61 45.033 45.513 -0.480 1
1 735 . 18 1 1 A 61 61 GLY N N 61 103.740 103.466 0.274 1
1 736 . 18 1 1 A 62 62 ALA H H 62 8.024 8.263 -0.239 1
1 737 . 18 1 1 A 62 62 ALA HA H 62 4.644 5.207 -0.563 1
1 741 . 18 1 1 A 62 62 ALA C C 62 176.226 175.433 0.793 1
1 742 . 18 1 1 A 62 62 ALA CA C 62 50.839 51.010 -0.171 1
1 743 . 18 1 1 A 62 62 ALA CB C 62 23.914 22.771 1.143 1
1 744 . 18 1 1 A 62 62 ALA N N 62 120.249 121.223 -0.974 1
1 745 . 18 1 1 A 63 63 ILE H H 63 8.810 8.515 0.295 1
1 746 . 18 1 1 A 63 63 ILE HA H 63 4.119 4.760 -0.641 1
1 756 . 18 1 1 A 63 63 ILE C C 63 174.724 175.726 -1.002 1
1 757 . 18 1 1 A 63 63 ILE CA C 63 60.757 60.402 0.355 1
1 758 . 18 1 1 A 63 63 ILE CB C 63 40.319 39.883 0.436 1
1 762 . 18 1 1 A 63 63 ILE N N 63 122.110 119.758 2.352 1
1 763 . 18 1 1 A 64 64 HIS H H 64 9.073 9.101 -0.028 1
1 764 . 18 1 1 A 64 64 HIS HA H 64 3.948 4.658 -0.710 1
1 769 . 18 1 1 A 64 64 HIS C C 64 176.529 175.855 0.674 1
1 770 . 18 1 1 A 64 64 HIS CA C 64 54.951 57.441 -2.490 1
1 771 . 18 1 1 A 64 64 HIS CB C 64 30.494 30.933 -0.439 1
1 774 . 18 1 1 A 64 64 HIS N N 64 129.092 127.988 1.104 1
1 775 . 18 1 1 A 65 65 LEU H H 65 7.770 8.426 -0.656 1
1 776 . 18 1 1 A 65 65 LEU HA H 65 4.074 4.556 -0.482 1
1 786 . 18 1 1 A 65 65 LEU C C 65 176.808 176.860 -0.052 1
1 787 . 18 1 1 A 65 65 LEU CA C 65 54.951 54.150 0.801 1
1 788 . 18 1 1 A 65 65 LEU CB C 65 42.667 41.536 1.131 1
1 792 . 18 1 1 A 65 65 LEU N N 65 124.760 127.631 -2.871 1
1 793 . 18 1 1 A 66 66 ARG H H 66 6.515 6.820 -0.305 1
1 794 . 18 1 1 A 66 66 ARG HA H 66 4.085 3.892 0.193 1
1 801 . 18 1 1 A 66 66 ARG C C 66 178.638 176.564 2.074 1
1 802 . 18 1 1 A 66 66 ARG CA C 66 58.092 56.462 1.630 1
1 803 . 18 1 1 A 66 66 ARG CB C 66 29.525 29.079 0.446 1
1 806 . 18 1 1 A 66 66 ARG N N 66 120.462 119.378 1.084 1
1 807 . 18 1 1 A 67 67 GLY H H 67 9.300 8.507 0.793 1
1 808 . 18 1 1 A 67 67 GLY HA2 H 67 4.045 3.824 0.221 1
1 809 . 18 1 1 A 67 67 GLY HA3 H 67 3.826 3.835 -0.009 1
1 810 . 18 1 1 A 67 67 GLY C C 67 173.996 174.688 -0.692 1
1 811 . 18 1 1 A 67 67 GLY CA C 67 46.162 45.712 0.450 1
1 812 . 18 1 1 A 67 67 GLY N N 67 118.040 113.506 4.534 1
1 813 . 18 1 1 A 68 68 CYS H H 68 7.789 7.736 0.053 1
1 814 . 18 1 1 A 68 68 CYS HA H 68 4.779 4.450 0.329 1
1 817 . 18 1 1 A 68 68 CYS C C 68 173.148 173.872 -0.724 1
1 818 . 18 1 1 A 68 68 CYS CA C 68 57.545 59.199 -1.654 1
1 819 . 18 1 1 A 68 68 CYS CB C 68 28.644 28.820 -0.176 1
1 820 . 18 1 1 A 68 68 CYS N N 68 116.032 120.038 -4.006 1
1 821 . 18 1 1 A 69 69 VAL H H 69 8.665 9.549 -0.884 1
1 822 . 18 1 1 A 69 69 VAL HA H 69 4.364 4.782 -0.418 1
1 830 . 18 1 1 A 69 69 VAL C C 69 174.154 174.417 -0.263 1
1 831 . 18 1 1 A 69 69 VAL CA C 69 61.464 60.784 0.680 1
1 832 . 18 1 1 A 69 69 VAL CB C 69 35.041 35.892 -0.851 1
1 835 . 18 1 1 A 69 69 VAL N N 69 120.327 121.109 -0.782 1
1 836 . 18 1 1 A 70 70 VAL H H 70 8.656 8.692 -0.036 1
1 837 . 18 1 1 A 70 70 VAL HA H 70 5.543 5.009 0.534 1
1 845 . 18 1 1 A 70 70 VAL C C 70 174.105 175.369 -1.264 1
1 846 . 18 1 1 A 70 70 VAL CA C 70 59.028 61.262 -2.234 1
1 847 . 18 1 1 A 70 70 VAL CB C 70 34.237 33.562 0.675 1
1 850 . 18 1 1 A 70 70 VAL N N 70 124.719 126.542 -1.823 1
1 851 . 18 1 1 A 71 71 THR H H 71 8.883 8.814 0.069 1
1 852 . 18 1 1 A 71 71 THR HA H 71 4.724 4.762 -0.038 1
1 857 . 18 1 1 A 71 71 THR C C 71 173.087 172.391 0.696 1
1 858 . 18 1 1 A 71 71 THR CA C 71 59.875 60.877 -1.002 1
1 859 . 18 1 1 A 71 71 THR CB C 71 71.290 70.426 0.864 1
1 861 . 18 1 1 A 71 71 THR N N 71 120.107 120.331 -0.224 1
1 862 . 18 1 1 A 72 72 SER H H 72 8.706 8.843 -0.137 1
1 863 . 18 1 1 A 72 72 SER HA H 72 4.455 5.232 -0.777 1
1 866 . 18 1 1 A 72 72 SER C C 72 174.082 174.914 -0.832 1
1 867 . 18 1 1 A 72 72 SER CA C 72 59.204 56.874 2.330 1
1 868 . 18 1 1 A 72 72 SER CB C 72 63.476 65.519 -2.043 1
1 869 . 18 1 1 A 72 72 SER N N 72 120.128 119.264 0.864 1
1 870 . 18 1 1 A 73 73 VAL H H 73 7.825 8.136 -0.311 1
1 871 . 18 1 1 A 73 73 VAL HA H 73 4.302 4.716 -0.414 1
1 879 . 18 1 1 A 73 73 VAL C C 73 175.160 175.590 -0.430 1
1 880 . 18 1 1 A 73 73 VAL CA C 73 62.010 60.208 1.802 1
1 881 . 18 1 1 A 73 73 VAL CB C 73 33.579 33.368 0.211 1
1 884 . 18 1 1 A 73 73 VAL N N 73 125.377 118.760 6.617 1
1 885 . 18 1 1 A 74 74 GLU H H 74 8.706 8.665 0.041 1
1 886 . 18 1 1 A 74 74 GLU HA H 74 4.544 4.748 -0.204 1
1 891 . 18 1 1 A 74 74 GLU C C 74 176.420 177.632 -1.212 1
1 892 . 18 1 1 A 74 74 GLU CA C 74 55.622 55.706 -0.084 1
1 893 . 18 1 1 A 74 74 GLU CB C 74 30.741 30.409 0.332 1
1 895 . 18 1 1 A 74 74 GLU N N 74 126.564 121.019 5.545 1
1 896 . 18 1 1 A 75 75 SER H H 75 8.639 8.267 0.372 1
1 897 . 18 1 1 A 75 75 SER HA H 75 4.447 4.132 0.315 1
1 900 . 18 1 1 A 75 75 SER C C 75 174.299 174.747 -0.448 1
1 901 . 18 1 1 A 75 75 SER CA C 75 58.339 61.891 -3.552 1
1 902 . 18 1 1 A 75 75 SER CB C 75 64.170 63.192 0.978 1
1 903 . 18 1 1 A 75 75 SER N N 75 117.961 117.442 0.519 1
1 904 . 18 1 1 A 76 76 ASN H H 76 8.672 7.636 1.036 1
1 905 . 18 1 1 A 76 76 ASN HA H 76 4.795 5.042 -0.247 1
1 910 . 18 1 1 A 76 76 ASN C C 76 175.584 173.181 2.403 1
1 911 . 18 1 1 A 76 76 ASN CA C 76 53.292 53.075 0.217 1
1 912 . 18 1 1 A 76 76 ASN CB C 76 39.089 41.826 -2.737 1
1 913 . 18 1 1 A 76 76 ASN N N 76 121.138 115.167 5.971 1
1 915 . 18 1 1 A 78 78 ASN HA H 78 4.635 5.038 -0.403 1
1 920 . 18 1 1 A 78 78 ASN C C 78 175.681 176.135 -0.454 1
1 921 . 18 1 1 A 78 78 ASN CA C 78 53.610 54.360 -0.750 1
1 922 . 18 1 1 A 78 78 ASN CB C 78 38.496 40.842 -2.346 1
1 924 . 18 1 1 A 79 79 GLY H H 79 8.356 7.919 0.437 1
1 925 . 18 1 1 A 79 79 GLY HA2 H 79 3.821 4.005 -0.184 1
1 926 . 18 1 1 A 79 79 GLY HA3 H 79 4.011 4.006 0.005 1
1 927 . 18 1 1 A 79 79 GLY C C 79 174.154 174.196 -0.042 1
1 928 . 18 1 1 A 79 79 GLY CA C 79 45.563 45.868 -0.305 1
1 929 . 18 1 1 A 79 79 GLY N N 79 108.284 107.060 1.224 1
1 930 . 18 1 1 A 80 80 ARG H H 80 7.919 7.703 0.216 1
1 931 . 18 1 1 A 80 80 ARG HA H 80 4.344 4.172 0.172 1
1 938 . 18 1 1 A 80 80 ARG C C 80 176.117 176.340 -0.223 1
1 939 . 18 1 1 A 80 80 ARG CA C 80 55.905 56.251 -0.346 1
1 940 . 18 1 1 A 80 80 ARG CB C 80 30.782 30.779 0.003 1
1 943 . 18 1 1 A 80 80 ARG N N 80 120.470 121.758 -1.288 1
1 944 . 18 1 1 A 81 81 LYS H H 81 8.427 8.619 -0.192 1
1 945 . 18 1 1 A 81 81 LYS HA H 81 4.350 4.351 -0.001 1
1 954 . 18 1 1 A 81 81 LYS C C 81 176.808 175.804 1.004 1
1 955 . 18 1 1 A 81 81 LYS CA C 81 56.416 55.593 0.823 1
1 956 . 18 1 1 A 81 81 LYS CB C 81 32.797 33.729 -0.932 1
1 960 . 18 1 1 A 81 81 LYS N N 81 122.963 125.153 -2.190 1
1 961 . 18 1 1 A 82 82 SER H H 82 8.440 8.614 -0.174 1
1 962 . 18 1 1 A 82 82 SER HA H 82 4.380 4.417 -0.037 1
1 965 . 18 1 1 A 82 82 SER C C 82 174.833 173.932 0.901 1
1 966 . 18 1 1 A 82 82 SER CA C 82 58.763 58.622 0.141 1
1 967 . 18 1 1 A 82 82 SER CB C 82 63.723 63.182 0.541 1
1 968 . 18 1 1 A 82 82 SER N N 82 118.053 116.212 1.841 1
1 969 . 18 1 1 A 83 83 GLU H H 83 8.648 9.022 -0.374 1
1 970 . 18 1 1 A 83 83 GLU HA H 83 4.233 4.596 -0.363 1
1 975 . 18 1 1 A 83 83 GLU C C 83 176.311 176.143 0.168 1
1 976 . 18 1 1 A 83 83 GLU CA C 83 57.104 57.031 0.073 1
1 977 . 18 1 1 A 83 83 GLU CB C 83 29.795 32.648 -2.853 1
1 979 . 18 1 1 A 83 83 GLU N N 83 121.793 125.399 -3.606 1
1 980 . 18 1 1 A 84 84 GLU H H 84 8.088 7.697 0.391 1
1 981 . 18 1 1 A 84 84 GLU HA H 84 4.161 4.460 -0.299 1
1 986 . 18 1 1 A 84 84 GLU C C 84 175.523 175.126 0.397 1
1 987 . 18 1 1 A 84 84 GLU CA C 84 56.275 55.264 1.011 1
1 988 . 18 1 1 A 84 84 GLU CB C 84 30.165 33.014 -2.849 1
1 990 . 18 1 1 A 84 84 GLU N N 84 119.385 117.536 1.849 1
1 991 . 18 1 1 A 85 85 GLU H H 85 7.907 8.401 -0.494 1
1 992 . 18 1 1 A 85 85 GLU HA H 85 4.350 4.508 -0.158 1
1 997 . 18 1 1 A 85 85 GLU C C 85 175.002 175.885 -0.883 1
1 998 . 18 1 1 A 85 85 GLU CA C 85 55.569 55.767 -0.198 1
1 999 . 18 1 1 A 85 85 GLU CB C 85 32.098 31.039 1.059 1
1 1001 . 18 1 1 A 85 85 GLU N N 85 120.414 123.776 -3.362 1
1 1002 . 18 1 1 A 86 86 ASN H H 86 8.569 8.569 0.000 1
1 1003 . 18 1 1 A 86 86 ASN HA H 86 4.225 5.038 -0.813 1
1 1008 . 18 1 1 A 86 86 ASN C C 86 175.147 174.423 0.724 1
1 1009 . 18 1 1 A 86 86 ASN CA C 86 54.068 53.036 1.032 1
1 1010 . 18 1 1 A 86 86 ASN CB C 86 38.185 39.142 -0.957 1
1 1011 . 18 1 1 A 86 86 ASN N N 86 114.602 118.892 -4.290 1
1 1013 . 18 1 1 A 87 87 LEU H H 87 8.483 9.097 -0.614 1
1 1014 . 18 1 1 A 87 87 LEU HA H 87 5.186 5.356 -0.170 1
1 1024 . 18 1 1 A 87 87 LEU C C 87 178.480 175.708 2.772 1
1 1025 . 18 1 1 A 87 87 LEU CA C 87 55.128 53.169 1.959 1
1 1026 . 18 1 1 A 87 87 LEU CB C 87 44.559 45.994 -1.435 1
1 1030 . 18 1 1 A 87 87 LEU N N 87 121.334 124.889 -3.555 1
1 1031 . 18 1 1 A 88 88 PHE H H 88 9.512 8.021 1.491 1
1 1032 . 18 1 1 A 88 88 PHE HA H 88 5.156 5.090 0.066 1
1 1040 . 18 1 1 A 88 88 PHE C C 88 170.288 172.153 -1.865 1
1 1041 . 18 1 1 A 88 88 PHE CA C 88 56.787 55.899 0.888 1
1 1042 . 18 1 1 A 88 88 PHE CB C 88 41.763 41.640 0.123 1
1 1048 . 18 1 1 A 88 88 PHE N N 88 119.324 116.848 2.476 1
1 1049 . 18 1 1 A 89 89 GLU H H 89 9.028 8.876 0.152 1
1 1050 . 18 1 1 A 89 89 GLU HA H 89 5.293 4.911 0.382 1
1 1055 . 18 1 1 A 89 89 GLU C C 89 175.245 175.168 0.077 1
1 1056 . 18 1 1 A 89 89 GLU CA C 89 53.433 55.280 -1.847 1
1 1057 . 18 1 1 A 89 89 GLU CB C 89 34.566 31.474 3.092 1
1 1059 . 18 1 1 A 89 89 GLU N N 89 121.829 120.374 1.455 1
1 1060 . 18 1 1 A 90 90 ILE H H 90 8.655 8.464 0.191 1
1 1061 . 18 1 1 A 90 90 ILE HA H 90 4.793 4.773 0.020 1
1 1071 . 18 1 1 A 90 90 ILE C C 90 174.808 174.729 0.079 1
1 1072 . 18 1 1 A 90 90 ILE CA C 90 59.857 60.348 -0.491 1
1 1073 . 18 1 1 A 90 90 ILE CB C 90 41.886 40.514 1.372 1
1 1077 . 18 1 1 A 90 90 ILE N N 90 123.446 126.432 -2.986 1
1 1078 . 18 1 1 A 91 91 ILE H H 91 9.199 9.277 -0.078 1
1 1079 . 18 1 1 A 91 91 ILE HA H 91 4.724 5.051 -0.327 1
1 1089 . 18 1 1 A 91 91 ILE C C 91 177.898 175.779 2.119 1
1 1090 . 18 1 1 A 91 91 ILE CA C 91 60.211 60.158 0.053 1
1 1091 . 18 1 1 A 91 91 ILE CB C 91 39.043 39.366 -0.323 1
1 1095 . 18 1 1 A 91 91 ILE N N 91 126.827 129.437 -2.610 1
1 1096 . 18 1 1 A 92 92 THR H H 92 9.086 8.160 0.926 1
1 1097 . 18 1 1 A 92 92 THR HA H 92 4.314 4.790 -0.476 1
1 1102 . 18 1 1 A 92 92 THR C C 92 176.857 174.815 2.042 1
1 1103 . 18 1 1 A 92 92 THR CA C 92 61.693 60.060 1.633 1
1 1104 . 18 1 1 A 92 92 THR CB C 92 70.920 70.409 0.511 1
1 1106 . 18 1 1 A 92 92 THR N N 92 117.131 116.463 0.668 1
1 1107 . 18 1 1 A 93 93 ALA H H 93 9.192 8.725 0.467 1
1 1108 . 18 1 1 A 93 93 ALA HA H 93 4.101 4.128 -0.027 1
1 1112 . 18 1 1 A 93 93 ALA C C 93 178.008 177.367 0.641 1
1 1113 . 18 1 1 A 93 93 ALA CA C 93 54.634 53.689 0.945 1
1 1114 . 18 1 1 A 93 93 ALA CB C 93 18.198 18.606 -0.408 1
1 1115 . 18 1 1 A 93 93 ALA N N 93 123.540 123.401 0.139 1
1 1116 . 18 1 1 A 94 94 ASP H H 94 7.979 7.420 0.559 1
1 1117 . 18 1 1 A 94 94 ASP HA H 94 4.724 4.738 -0.014 1
1 1120 . 18 1 1 A 94 94 ASP C C 94 174.324 175.443 -1.119 1
1 1121 . 18 1 1 A 94 94 ASP CA C 94 53.098 53.738 -0.640 1
1 1122 . 18 1 1 A 94 94 ASP CB C 94 39.336 41.459 -2.123 1
1 1123 . 18 1 1 A 94 94 ASP N N 94 113.209 117.179 -3.970 1
1 1124 . 18 1 1 A 95 95 GLU H H 95 8.152 8.042 0.110 1
1 1125 . 18 1 1 A 95 95 GLU HA H 95 3.430 3.838 -0.408 1
1 1130 . 18 1 1 A 95 95 GLU C C 95 174.578 175.575 -0.997 1
1 1131 . 18 1 1 A 95 95 GLU CA C 95 57.687 57.878 -0.191 1
1 1132 . 18 1 1 A 95 95 GLU CB C 95 26.300 27.475 -1.175 1
1 1134 . 18 1 1 A 95 95 GLU N N 95 114.010 115.358 -1.348 1
1 1135 . 18 1 1 A 96 96 VAL H H 96 7.595 7.354 0.241 1
1 1136 . 18 1 1 A 96 96 VAL HA H 96 4.063 3.979 0.084 1
1 1144 . 18 1 1 A 96 96 VAL C C 96 175.293 175.015 0.278 1
1 1145 . 18 1 1 A 96 96 VAL CA C 96 62.751 63.110 -0.359 1
1 1146 . 18 1 1 A 96 96 VAL CB C 96 31.440 31.698 -0.258 1
1 1149 . 18 1 1 A 96 96 VAL N N 96 120.925 120.497 0.428 1
1 1150 . 18 1 1 A 97 97 HIS H H 97 8.603 9.183 -0.580 1
1 1151 . 18 1 1 A 97 97 HIS HA H 97 5.234 5.331 -0.097 1
1 1156 . 18 1 1 A 97 97 HIS C C 97 174.348 173.541 0.807 1
1 1157 . 18 1 1 A 97 97 HIS CA C 97 54.404 54.151 0.253 1
1 1158 . 18 1 1 A 97 97 HIS CB C 97 30.536 32.054 -1.518 1
1 1161 . 18 1 1 A 97 97 HIS N N 97 124.160 126.966 -2.806 1
1 1162 . 18 1 1 A 98 98 TYR H H 98 9.267 8.489 0.778 1
1 1163 . 18 1 1 A 98 98 TYR HA H 98 4.532 4.809 -0.277 1
1 1170 . 18 1 1 A 98 98 TYR C C 98 173.621 174.298 -0.677 1
1 1171 . 18 1 1 A 98 98 TYR CA C 98 57.122 56.261 0.861 1
1 1172 . 18 1 1 A 98 98 TYR CB C 98 41.228 41.708 -0.480 1
1 1177 . 18 1 1 A 98 98 TYR N N 98 121.543 119.920 1.623 1
1 1178 . 18 1 1 A 99 99 PHE H H 99 8.861 8.995 -0.134 1
1 1179 . 18 1 1 A 99 99 PHE HA H 99 4.983 5.174 -0.191 1
1 1186 . 18 1 1 A 99 99 PHE C C 99 173.754 174.689 -0.935 1
1 1187 . 18 1 1 A 99 99 PHE CA C 99 57.705 56.784 0.921 1
1 1188 . 18 1 1 A 99 99 PHE CB C 99 41.516 39.737 1.779 1
1 1193 . 18 1 1 A 99 99 PHE N N 99 121.699 122.837 -1.138 1
1 1194 . 18 1 1 A 100 100 LEU H H 100 8.529 8.094 0.435 1
1 1195 . 18 1 1 A 100 100 LEU HA H 100 5.345 5.342 0.003 1
1 1205 . 18 1 1 A 100 100 LEU C C 100 174.942 174.672 0.270 1
1 1206 . 18 1 1 A 100 100 LEU CA C 100 52.781 52.563 0.218 1
1 1207 . 18 1 1 A 100 100 LEU CB C 100 44.518 44.172 0.346 1
1 1211 . 18 1 1 A 100 100 LEU N N 100 123.519 124.518 -0.999 1
1 1212 . 18 1 1 A 101 101 GLN H H 101 8.717 9.022 -0.305 1
1 1213 . 18 1 1 A 101 101 GLN HA H 101 4.886 5.033 -0.147 1
1 1220 . 18 1 1 A 101 101 GLN C C 101 175.390 174.456 0.934 1
1 1221 . 18 1 1 A 101 101 GLN CA C 101 54.934 54.153 0.781 1
1 1222 . 18 1 1 A 101 101 GLN CB C 101 32.222 30.972 1.250 1
1 1224 . 18 1 1 A 101 101 GLN N N 101 117.786 124.591 -6.805 1
1 1226 . 18 1 1 A 102 102 ALA H H 102 8.256 9.296 -1.040 1
1 1227 . 18 1 1 A 102 102 ALA HA H 102 4.862 4.972 -0.110 1
1 1231 . 18 1 1 A 102 102 ALA C C 102 176.008 178.210 -2.202 1
1 1232 . 18 1 1 A 102 102 ALA CA C 102 50.098 50.886 -0.788 1
1 1233 . 18 1 1 A 102 102 ALA CB C 102 21.606 20.940 0.666 1
1 1234 . 18 1 1 A 102 102 ALA N N 102 128.068 129.359 -1.291 1
1 1235 . 18 1 1 A 103 103 ALA H H 103 9.255 8.809 0.446 1
1 1236 . 18 1 1 A 103 103 ALA HA H 103 4.247 4.048 0.199 1
1 1240 . 18 1 1 A 103 103 ALA C C 103 178.153 177.832 0.321 1
1 1241 . 18 1 1 A 103 103 ALA CA C 103 54.369 56.032 -1.663 1
1 1242 . 18 1 1 A 103 103 ALA CB C 103 20.377 18.779 1.598 1
1 1243 . 18 1 1 A 103 103 ALA N N 103 120.410 125.892 -5.482 1
1 1244 . 18 1 1 A 104 104 THR H H 104 7.149 7.829 -0.680 1
1 1245 . 18 1 1 A 104 104 THR HA H 104 4.846 4.677 0.169 1
1 1250 . 18 1 1 A 104 104 THR C C 104 173.354 174.158 -0.804 1
1 1251 . 18 1 1 A 104 104 THR CA C 104 57.810 59.374 -1.564 1
1 1252 . 18 1 1 A 104 104 THR CB C 104 71.496 70.055 1.441 1
1 1254 . 18 1 1 A 104 104 THR N N 104 103.106 109.043 -5.937 1
1 1255 . 18 1 1 A 105 105 PRO HA H 105 4.225 4.589 -0.364 1
1 1262 . 18 1 1 A 105 105 PRO C C 105 179.704 178.009 1.695 1
1 1263 . 18 1 1 A 105 105 PRO CA C 105 65.046 64.348 0.698 1
1 1264 . 18 1 1 A 105 105 PRO CB C 105 31.775 31.869 -0.094 1
1 1267 . 18 1 1 A 106 106 LYS H H 106 7.764 8.032 -0.268 1
1 1268 . 18 1 1 A 106 106 LYS HA H 106 4.036 4.091 -0.055 1
1 1277 . 18 1 1 A 106 106 LYS C C 106 177.959 178.569 -0.610 1
1 1278 . 18 1 1 A 106 106 LYS CA C 106 59.452 59.424 0.028 1
1 1279 . 18 1 1 A 106 106 LYS CB C 106 32.797 31.588 1.209 1
1 1283 . 18 1 1 A 106 106 LYS N N 106 119.261 118.685 0.576 1
1 1284 . 18 1 1 A 107 107 GLU H H 107 8.005 7.658 0.347 1
1 1285 . 18 1 1 A 107 107 GLU HA H 107 4.171 4.093 0.078 1
1 1290 . 18 1 1 A 107 107 GLU C C 107 178.529 178.648 -0.119 1
1 1291 . 18 1 1 A 107 107 GLU CA C 107 59.310 59.067 0.243 1
1 1292 . 18 1 1 A 107 107 GLU CB C 107 31.111 29.446 1.665 1
1 1294 . 18 1 1 A 107 107 GLU N N 107 119.293 118.723 0.570 1
1 1295 . 18 1 1 A 108 108 ARG H H 108 7.810 7.600 0.210 1
1 1296 . 18 1 1 A 108 108 ARG HA H 108 3.603 4.266 -0.663 1
1 1303 . 18 1 1 A 108 108 ARG C C 108 176.287 178.848 -2.561 1
1 1304 . 18 1 1 A 108 108 ARG CA C 108 60.598 59.000 1.598 1
1 1305 . 18 1 1 A 108 108 ARG CB C 108 29.548 30.303 -0.755 1
1 1308 . 18 1 1 A 108 108 ARG N N 108 118.989 120.063 -1.074 1
1 1309 . 18 1 1 A 109 109 THR H H 109 8.195 8.119 0.076 1
1 1310 . 18 1 1 A 109 109 THR HA H 109 3.645 3.797 -0.152 1
1 1315 . 18 1 1 A 109 109 THR C C 109 176.227 176.507 -0.280 1
1 1316 . 18 1 1 A 109 109 THR CA C 109 67.022 66.999 0.023 1
1 1317 . 18 1 1 A 109 109 THR CB C 109 68.576 68.536 0.040 1
1 1319 . 18 1 1 A 109 109 THR N N 109 115.975 115.838 0.137 1
1 1320 . 18 1 1 A 110 110 GLU H H 110 8.274 8.052 0.222 1
1 1321 . 18 1 1 A 110 110 GLU HA H 110 3.794 3.899 -0.105 1
1 1326 . 18 1 1 A 110 110 GLU C C 110 180.516 179.309 1.207 1
1 1327 . 18 1 1 A 110 110 GLU CA C 110 59.534 59.803 -0.269 1
1 1328 . 18 1 1 A 110 110 GLU CB C 110 29.507 29.401 0.106 1
1 1330 . 18 1 1 A 110 110 GLU N N 110 119.565 118.941 0.624 1
1 1331 . 18 1 1 A 111 111 TRP H H 111 8.316 8.522 -0.206 1
1 1332 . 18 1 1 A 111 111 TRP HA H 111 3.912 4.371 -0.459 1
1 1341 . 18 1 1 A 111 111 TRP C C 111 178.020 178.820 -0.800 1
1 1342 . 18 1 1 A 111 111 TRP CA C 111 62.464 60.605 1.859 1
1 1343 . 18 1 1 A 111 111 TRP CB C 111 29.548 29.727 -0.179 1
1 1349 . 18 1 1 A 111 111 TRP N N 111 120.868 121.113 -0.245 1
1 1351 . 18 1 1 A 112 112 ILE H H 112 8.271 7.901 0.370 1
1 1352 . 18 1 1 A 112 112 ILE HA H 112 3.254 3.537 -0.283 1
1 1362 . 18 1 1 A 112 112 ILE C C 112 177.669 177.534 0.135 1
1 1363 . 18 1 1 A 112 112 ILE CA C 112 67.040 64.813 2.227 1
1 1364 . 18 1 1 A 112 112 ILE CB C 112 37.856 37.720 0.136 1
1 1368 . 18 1 1 A 112 112 ILE N N 112 118.862 119.659 -0.797 1
1 1369 . 18 1 1 A 113 113 LYS H H 113 8.042 8.497 -0.455 1
1 1370 . 18 1 1 A 113 113 LYS HA H 113 3.991 3.943 0.048 1
1 1379 . 18 1 1 A 113 113 LYS C C 113 178.977 179.063 -0.086 1
1 1380 . 18 1 1 A 113 113 LYS CA C 113 59.328 59.544 -0.216 1
1 1381 . 18 1 1 A 113 113 LYS CB C 113 32.345 32.129 0.216 1
1 1385 . 18 1 1 A 113 113 LYS N N 113 117.182 120.055 -2.873 1
1 1386 . 18 1 1 A 114 114 ALA H H 114 7.686 8.556 -0.870 1
1 1387 . 18 1 1 A 114 114 ALA HA H 114 4.058 4.009 0.049 1
1 1391 . 18 1 1 A 114 114 ALA C C 114 179.849 180.008 -0.159 1
1 1392 . 18 1 1 A 114 114 ALA CA C 114 55.146 55.123 0.023 1
1 1393 . 18 1 1 A 114 114 ALA CB C 114 18.362 18.390 -0.028 1
1 1394 . 18 1 1 A 114 114 ALA N N 114 120.689 121.428 -0.739 1
1 1395 . 18 1 1 A 115 115 ILE H H 115 8.594 8.527 0.067 1
1 1396 . 18 1 1 A 115 115 ILE HA H 115 3.534 3.608 -0.074 1
1 1406 . 18 1 1 A 115 115 ILE C C 115 178.432 178.021 0.411 1
1 1407 . 18 1 1 A 115 115 ILE CA C 115 66.016 65.642 0.374 1
1 1408 . 18 1 1 A 115 115 ILE CB C 115 38.390 37.869 0.521 1
1 1412 . 18 1 1 A 115 115 ILE N N 115 118.898 118.112 0.786 1
1 1413 . 18 1 1 A 116 116 GLN H H 116 8.732 8.320 0.412 1
1 1414 . 18 1 1 A 116 116 GLN HA H 116 3.851 4.302 -0.451 1
1 1421 . 18 1 1 A 116 116 GLN C C 116 179.655 178.231 1.424 1
1 1422 . 18 1 1 A 116 116 GLN CA C 116 59.575 59.014 0.561 1
1 1423 . 18 1 1 A 116 116 GLN CB C 116 28.222 28.511 -0.289 1
1 1425 . 18 1 1 A 116 116 GLN N N 116 119.877 118.268 1.609 1
1 1427 . 18 1 1 A 117 117 MET H H 117 8.279 8.316 -0.037 1
1 1428 . 18 1 1 A 117 117 MET HA H 117 4.155 3.888 0.267 1
1 1436 . 18 1 1 A 117 117 MET C C 117 179.123 178.263 0.860 1
1 1437 . 18 1 1 A 117 117 MET CA C 117 58.658 58.833 -0.175 1
1 1438 . 18 1 1 A 117 117 MET CB C 117 31.934 32.319 -0.385 1
1 1441 . 18 1 1 A 117 117 MET N N 117 118.855 119.284 -0.429 1
1 1442 . 18 1 1 A 118 118 ALA H H 118 8.266 7.572 0.694 1
1 1443 . 18 1 1 A 118 118 ALA HA H 118 4.240 4.044 0.196 1
1 1447 . 18 1 1 A 118 118 ALA C C 118 178.820 179.818 -0.998 1
1 1448 . 18 1 1 A 118 118 ALA CA C 118 54.604 55.089 -0.485 1
1 1449 . 18 1 1 A 118 118 ALA CB C 118 18.627 18.572 0.055 1
1 1450 . 18 1 1 A 118 118 ALA N N 118 121.702 122.259 -0.557 1
1 1451 . 18 1 1 A 119 119 SER H H 119 8.073 9.014 -0.941 1
1 1452 . 18 1 1 A 119 119 SER HA H 119 4.027 4.125 -0.098 1
1 1455 . 18 1 1 A 119 119 SER C C 119 174.663 177.156 -2.493 1
1 1456 . 18 1 1 A 119 119 SER CA C 119 60.122 61.537 -1.415 1
1 1457 . 18 1 1 A 119 119 SER CB C 119 64.299 62.587 1.712 1
1 1458 . 18 1 1 A 119 119 SER N N 119 110.080 112.744 -2.664 1
1 1459 . 18 1 1 A 120 120 ARG H H 120 7.345 8.693 -1.348 1
1 1460 . 18 1 1 A 120 120 ARG HA H 120 4.383 4.043 0.340 1
1 1467 . 18 1 1 A 120 120 ARG C C 120 176.372 176.819 -0.447 1
1 1468 . 18 1 1 A 120 120 ARG CA C 120 56.681 59.160 -2.479 1
1 1469 . 18 1 1 A 120 120 ARG CB C 120 30.248 29.928 0.320 1
1 1472 . 18 1 1 A 120 120 ARG N N 120 120.244 120.725 -0.481 1
1 1473 . 18 1 1 A 121 121 THR H H 121 8.070 7.816 0.254 1
1 1474 . 18 1 1 A 121 121 THR HA H 121 4.365 4.322 0.043 1
1 1479 . 18 1 1 A 121 121 THR C C 121 175.281 172.893 2.388 1
1 1480 . 18 1 1 A 121 121 THR CA C 121 62.557 62.413 0.144 1
1 1481 . 18 1 1 A 121 121 THR CB C 121 70.298 68.476 1.822 1
1 1483 . 18 1 1 A 121 121 THR N N 121 114.024 113.703 0.321 1
1 1484 . 18 1 1 A 122 122 GLY H H 122 8.520 8.688 -0.168 1
1 1485 . 18 1 1 A 122 122 GLY HA2 H 122 4.005 4.184 -0.179 1
1 1486 . 18 1 1 A 122 122 GLY HA3 H 122 4.005 4.188 -0.183 1
1 1487 . 18 1 1 A 122 122 GLY C C 122 174.118 172.906 1.212 1
1 1488 . 18 1 1 A 122 122 GLY CA C 122 45.351 45.653 -0.302 1
1 1489 . 18 1 1 A 122 122 GLY N N 122 111.123 111.041 0.082 1
1 1490 . 18 1 1 A 123 123 LYS H H 123 8.309 8.657 -0.348 1
1 1491 . 18 1 1 A 123 123 LYS HA H 123 4.364 4.548 -0.184 1
1 1500 . 18 1 1 A 123 123 LYS C C 123 176.772 176.294 0.478 1
1 1501 . 18 1 1 A 123 123 LYS CA C 123 56.310 54.910 1.400 1
1 1502 . 18 1 1 A 123 123 LYS CB C 123 33.167 31.176 1.991 1
1 1506 . 18 1 1 A 123 123 LYS N N 123 121.100 125.543 -4.443 1
1 1507 . 18 1 1 A 124 124 SER H H 124 8.453 8.128 0.325 1
1 1508 . 18 1 1 A 124 124 SER HA H 124 4.489 4.050 0.439 1
1 1509 . 18 1 1 A 124 124 SER C C 124 174.518 173.387 1.131 1
1 1510 . 18 1 1 A 124 124 SER CA C 124 58.357 59.035 -0.678 1
1 1511 . 18 1 1 A 124 124 SER CB C 124 64.052 61.931 2.121 1
1 1512 . 18 1 1 A 124 124 SER N N 124 117.316 116.330 0.986 1
1 1513 . 18 1 1 A 125 125 GLY H H 125 8.278 8.075 0.203 1
1 1514 . 18 1 1 A 125 125 GLY HA2 H 125 4.154 4.192 -0.038 1
1 1515 . 18 1 1 A 125 125 GLY HA3 H 125 4.102 4.193 -0.091 1
1 1516 . 18 1 1 A 125 125 GLY C C 125 171.827 171.374 0.453 1
1 1517 . 18 1 1 A 125 125 GLY CA C 125 44.680 45.454 -0.774 1
1 1518 . 18 1 1 A 125 125 GLY N N 125 110.670 112.198 -1.528 1
1 1519 . 18 1 1 A 126 126 PRO HA H 126 4.461 4.594 -0.133 1
1 1526 . 18 1 1 A 126 126 PRO C C 126 177.426 175.220 2.206 1
1 1527 . 18 1 1 A 126 126 PRO CA C 126 63.281 62.458 0.823 1
1 1528 . 18 1 1 A 126 126 PRO CB C 126 32.263 33.366 -1.103 1
1 1531 . 18 1 1 A 127 127 SER H H 127 8.556 8.640 -0.084 1
1 1532 . 18 1 1 A 127 127 SER HA H 127 4.489 4.824 -0.335 1
1 1535 . 18 1 1 A 127 127 SER C C 127 174.651 174.383 0.268 1
1 1536 . 18 1 1 A 127 127 SER CA C 127 58.410 57.164 1.246 1
1 1537 . 18 1 1 A 127 127 SER CB C 127 63.682 64.302 -0.620 1
1 1538 . 18 1 1 A 127 127 SER N N 127 116.423 116.084 0.339 1
1 1539 . 18 1 1 A 128 128 SER H H 128 8.313 8.432 -0.119 1
1 1540 . 18 1 1 A 128 128 SER HA H 128 4.489 4.198 0.291 1
1 1543 . 18 1 1 A 128 128 SER C C 128 173.936 173.891 0.045 1
1 1544 . 18 1 1 A 128 128 SER CA C 128 58.393 59.019 -0.626 1
1 1545 . 18 1 1 A 128 128 SER CB C 128 64.052 61.943 2.109 1
1 1546 . 18 1 1 A 128 128 SER N N 128 117.750 120.498 -2.748 1
1 1 . 19 1 1 A 6 6 SER HA H 6 4.475 4.073 0.402 1
1 4 . 19 1 1 A 6 6 SER C C 6 174.978 173.753 1.225 1
1 5 . 19 1 1 A 6 6 SER CA C 6 58.657 58.917 -0.260 1
1 6 . 19 1 1 A 6 6 SER CB C 6 63.682 61.911 1.771 1
1 7 . 19 1 1 A 7 7 GLY H H 7 8.385 8.143 0.242 1
1 8 . 19 1 1 A 7 7 GLY HA2 H 7 3.947 4.314 -0.367 1
1 9 . 19 1 1 A 7 7 GLY HA3 H 7 3.947 4.318 -0.371 1
1 10 . 19 1 1 A 7 7 GLY C C 7 173.900 171.460 2.440 1
1 11 . 19 1 1 A 7 7 GLY CA C 7 45.280 46.214 -0.934 1
1 12 . 19 1 1 A 7 7 GLY N N 7 110.753 111.520 -0.767 1
1 13 . 19 1 1 A 8 8 VAL H H 8 7.896 8.378 -0.482 1
1 14 . 19 1 1 A 8 8 VAL HA H 8 4.046 4.938 -0.892 1
1 22 . 19 1 1 A 8 8 VAL C C 8 175.948 174.629 1.319 1
1 23 . 19 1 1 A 8 8 VAL CA C 8 62.399 59.615 2.784 1
1 24 . 19 1 1 A 8 8 VAL CB C 8 32.904 35.547 -2.643 1
1 27 . 19 1 1 A 8 8 VAL N N 8 119.771 119.821 -0.050 1
1 28 . 19 1 1 A 9 9 ILE H H 9 8.253 8.600 -0.347 1
1 29 . 19 1 1 A 9 9 ILE HA H 9 4.103 4.144 -0.041 1
1 39 . 19 1 1 A 9 9 ILE C C 9 175.984 175.664 0.320 1
1 40 . 19 1 1 A 9 9 ILE CA C 9 60.657 62.311 -1.654 1
1 41 . 19 1 1 A 9 9 ILE CB C 9 38.349 38.136 0.213 1
1 45 . 19 1 1 A 9 9 ILE N N 9 125.791 124.798 0.993 1
1 46 . 19 1 1 A 10 10 LEU H H 10 8.374 8.613 -0.239 1
1 47 . 19 1 1 A 10 10 LEU HA H 10 4.379 5.178 -0.799 1
1 57 . 19 1 1 A 10 10 LEU C C 10 177.171 175.255 1.916 1
1 58 . 19 1 1 A 10 10 LEU CA C 10 54.598 53.540 1.058 1
1 59 . 19 1 1 A 10 10 LEU CB C 10 42.873 46.457 -3.584 1
1 63 . 19 1 1 A 10 10 LEU N N 10 127.929 127.872 0.057 1
1 64 . 19 1 1 A 11 11 LYS H H 11 8.414 8.985 -0.571 1
1 65 . 19 1 1 A 11 11 LYS HA H 11 4.214 4.559 -0.345 1
1 74 . 19 1 1 A 11 11 LYS C C 11 177.244 177.313 -0.069 1
1 75 . 19 1 1 A 11 11 LYS CA C 11 57.051 54.954 2.097 1
1 76 . 19 1 1 A 11 11 LYS CB C 11 33.332 33.681 -0.349 1
1 80 . 19 1 1 A 11 11 LYS N N 11 123.211 125.055 -1.844 1
1 81 . 19 1 1 A 12 12 GLU H H 12 8.629 8.364 0.265 1
1 82 . 19 1 1 A 12 12 GLU HA H 12 3.745 4.354 -0.609 1
1 87 . 19 1 1 A 12 12 GLU C C 12 177.366 178.751 -1.385 1
1 88 . 19 1 1 A 12 12 GLU CA C 12 59.663 57.758 1.905 1
1 89 . 19 1 1 A 12 12 GLU CB C 12 29.672 30.333 -0.661 1
1 91 . 19 1 1 A 12 12 GLU N N 12 122.998 120.721 2.277 1
1 92 . 19 1 1 A 13 13 GLU H H 13 8.043 8.397 -0.354 1
1 93 . 19 1 1 A 13 13 GLU HA H 13 3.333 4.027 -0.694 1
1 98 . 19 1 1 A 13 13 GLU C C 13 175.451 176.829 -1.378 1
1 99 . 19 1 1 A 13 13 GLU CA C 13 57.634 58.042 -0.408 1
1 100 . 19 1 1 A 13 13 GLU CB C 13 28.567 27.687 0.880 1
1 102 . 19 1 1 A 13 13 GLU N N 13 113.498 118.458 -4.960 1
1 103 . 19 1 1 A 14 14 PHE H H 14 7.483 7.793 -0.310 1
1 104 . 19 1 1 A 14 14 PHE HA H 14 4.650 4.796 -0.146 1
1 112 . 19 1 1 A 14 14 PHE C C 14 175.657 176.527 -0.870 1
1 113 . 19 1 1 A 14 14 PHE CA C 14 56.187 57.089 -0.902 1
1 114 . 19 1 1 A 14 14 PHE CB C 14 39.665 38.857 0.808 1
1 120 . 19 1 1 A 14 14 PHE N N 14 115.879 118.431 -2.552 1
1 121 . 19 1 1 A 15 15 ARG H H 15 7.757 7.837 -0.080 1
1 122 . 19 1 1 A 15 15 ARG HA H 15 4.154 4.512 -0.358 1
1 129 . 19 1 1 A 15 15 ARG C C 15 177.353 175.955 1.398 1
1 130 . 19 1 1 A 15 15 ARG CA C 15 58.092 55.903 2.189 1
1 131 . 19 1 1 A 15 15 ARG CB C 15 31.193 29.933 1.260 1
1 134 . 19 1 1 A 15 15 ARG N N 15 118.945 118.987 -0.042 1
1 135 . 19 1 1 A 16 16 GLY H H 16 8.812 7.867 0.945 1
1 136 . 19 1 1 A 16 16 GLY HA2 H 16 4.194 4.139 0.055 1
1 137 . 19 1 1 A 16 16 GLY HA3 H 16 3.824 4.168 -0.344 1
1 138 . 19 1 1 A 16 16 GLY C C 16 173.427 172.193 1.234 1
1 139 . 19 1 1 A 16 16 GLY CA C 16 45.157 45.302 -0.145 1
1 140 . 19 1 1 A 16 16 GLY N N 16 109.133 108.223 0.910 1
1 141 . 19 1 1 A 17 17 VAL H H 17 8.308 7.899 0.409 1
1 142 . 19 1 1 A 17 17 VAL HA H 17 4.060 4.890 -0.830 1
1 150 . 19 1 1 A 17 17 VAL C C 17 176.469 173.594 2.875 1
1 151 . 19 1 1 A 17 17 VAL CA C 17 62.098 59.502 2.596 1
1 152 . 19 1 1 A 17 17 VAL CB C 17 33.414 35.792 -2.378 1
1 155 . 19 1 1 A 17 17 VAL N N 17 120.815 120.138 0.677 1
1 156 . 19 1 1 A 18 18 ILE H H 18 8.547 8.912 -0.365 1
1 157 . 19 1 1 A 18 18 ILE HA H 18 4.186 5.050 -0.864 1
1 167 . 19 1 1 A 18 18 ILE C C 18 177.208 176.389 0.819 1
1 168 . 19 1 1 A 18 18 ILE CA C 18 63.175 59.674 3.501 1
1 169 . 19 1 1 A 18 18 ILE CB C 18 38.596 40.769 -2.173 1
1 173 . 19 1 1 A 18 18 ILE N N 18 125.006 123.021 1.985 1
1 174 . 19 1 1 A 19 19 ILE H H 19 9.127 8.335 0.792 1
1 175 . 19 1 1 A 19 19 ILE HA H 19 4.461 4.448 0.013 1
1 185 . 19 1 1 A 19 19 ILE C C 19 176.081 175.417 0.664 1
1 186 . 19 1 1 A 19 19 ILE CA C 19 60.298 61.349 -1.051 1
1 187 . 19 1 1 A 19 19 ILE CB C 19 39.665 40.060 -0.395 1
1 191 . 19 1 1 A 19 19 ILE N N 19 124.358 120.351 4.007 1
1 192 . 19 1 1 A 20 20 LYS H H 20 7.620 7.810 -0.190 1
1 193 . 19 1 1 A 20 20 LYS HA H 20 4.325 4.744 -0.419 1
1 202 . 19 1 1 A 20 20 LYS C C 20 172.760 174.286 -1.526 1
1 203 . 19 1 1 A 20 20 LYS CA C 20 57.298 55.105 2.193 1
1 204 . 19 1 1 A 20 20 LYS CB C 20 36.458 35.526 0.932 1
1 208 . 19 1 1 A 20 20 LYS N N 20 121.749 121.868 -0.119 1
1 209 . 19 1 1 A 21 21 GLN H H 21 8.572 8.516 0.056 1
1 210 . 19 1 1 A 21 21 GLN HA H 21 5.927 5.330 0.597 1
1 217 . 19 1 1 A 21 21 GLN C C 21 175.124 174.989 0.135 1
1 218 . 19 1 1 A 21 21 GLN CA C 21 54.227 54.711 -0.484 1
1 219 . 19 1 1 A 21 21 GLN CB C 21 33.369 33.411 -0.042 1
1 221 . 19 1 1 A 21 21 GLN N N 21 121.653 124.437 -2.784 1
1 223 . 19 1 1 A 22 22 GLY H H 22 9.178 8.381 0.797 1
1 224 . 19 1 1 A 22 22 GLY HA2 H 22 4.904 4.363 0.541 1
1 225 . 19 1 1 A 22 22 GLY HA3 H 22 4.447 4.468 -0.021 1
1 226 . 19 1 1 A 22 22 GLY C C 22 172.300 171.831 0.469 1
1 227 . 19 1 1 A 22 22 GLY CA C 22 45.650 46.288 -0.638 1
1 228 . 19 1 1 A 22 22 GLY N N 22 108.544 108.800 -0.256 1
1 229 . 19 1 1 A 23 23 CYS H H 23 9.262 8.707 0.555 1
1 230 . 19 1 1 A 23 23 CYS HA H 23 5.904 5.991 -0.087 1
1 233 . 19 1 1 A 23 23 CYS C C 23 175.293 173.421 1.872 1
1 234 . 19 1 1 A 23 23 CYS CA C 23 59.222 57.536 1.686 1
1 235 . 19 1 1 A 23 23 CYS CB C 23 29.260 31.473 -2.213 1
1 236 . 19 1 1 A 23 23 CYS N N 23 118.575 120.009 -1.434 1
1 237 . 19 1 1 A 24 24 LEU H H 24 9.131 9.940 -0.809 1
1 238 . 19 1 1 A 24 24 LEU HA H 24 4.627 5.113 -0.486 1
1 248 . 19 1 1 A 24 24 LEU C C 24 175.354 175.458 -0.104 1
1 249 . 19 1 1 A 24 24 LEU CA C 24 53.963 53.547 0.416 1
1 250 . 19 1 1 A 24 24 LEU CB C 24 47.315 45.861 1.454 1
1 254 . 19 1 1 A 24 24 LEU N N 24 122.880 124.188 -1.308 1
1 255 . 19 1 1 A 25 25 LEU H H 25 7.968 8.905 -0.937 1
1 256 . 19 1 1 A 25 25 LEU HA H 25 5.056 5.111 -0.055 1
1 266 . 19 1 1 A 25 25 LEU C C 25 175.766 175.074 0.692 1
1 267 . 19 1 1 A 25 25 LEU CA C 25 54.810 54.324 0.486 1
1 268 . 19 1 1 A 25 25 LEU CB C 25 44.065 42.240 1.825 1
1 272 . 19 1 1 A 25 25 LEU N N 25 119.755 122.197 -2.442 1
1 273 . 19 1 1 A 26 26 LYS H H 26 9.307 8.569 0.738 1
1 274 . 19 1 1 A 26 26 LYS HA H 26 5.166 4.656 0.510 1
1 283 . 19 1 1 A 26 26 LYS C C 26 175.778 176.298 -0.520 1
1 284 . 19 1 1 A 26 26 LYS CA C 26 54.687 55.629 -0.942 1
1 285 . 19 1 1 A 26 26 LYS CB C 26 37.033 33.565 3.468 1
1 289 . 19 1 1 A 26 26 LYS N N 26 122.635 126.035 -3.400 1
1 290 . 19 1 1 A 27 27 GLN H H 27 8.228 8.427 -0.199 1
1 291 . 19 1 1 A 27 27 GLN HA H 27 3.839 3.405 0.434 1
1 298 . 19 1 1 A 27 27 GLN C C 27 176.869 176.673 0.196 1
1 299 . 19 1 1 A 27 27 GLN CA C 27 55.922 57.419 -1.497 1
1 300 . 19 1 1 A 27 27 GLN CB C 27 29.589 28.358 1.231 1
1 302 . 19 1 1 A 27 27 GLN N N 27 132.145 127.090 5.055 1
1 304 . 19 1 1 A 28 28 GLY H H 28 8.434 8.707 -0.273 1
1 305 . 19 1 1 A 28 28 GLY HA2 H 28 4.144 3.909 0.235 1
1 306 . 19 1 1 A 28 28 GLY HA3 H 28 3.999 3.942 0.057 1
1 307 . 19 1 1 A 28 28 GLY CA C 28 45.457 46.123 -0.666 1
1 308 . 19 1 1 A 28 28 GLY N N 28 114.691 112.846 1.845 1
1 309 . 19 1 1 A 29 29 HIS HA H 29 4.352 4.880 -0.528 1
1 314 . 19 1 1 A 29 29 HIS CA C 29 58.505 54.846 3.659 1
1 315 . 19 1 1 A 29 29 HIS CB C 29 30.967 31.512 -0.545 1
1 318 . 19 1 1 A 30 30 ARG HA H 30 4.114 3.837 0.277 1
1 325 . 19 1 1 A 30 30 ARG CA C 30 56.429 58.492 -2.063 1
1 326 . 19 1 1 A 30 30 ARG CB C 30 29.591 30.270 -0.679 1
1 329 . 19 1 1 A 31 31 ARG HA H 31 3.774 4.472 -0.698 1
1 336 . 19 1 1 A 31 31 ARG C C 31 175.536 176.825 -1.289 1
1 337 . 19 1 1 A 31 31 ARG CA C 31 55.922 57.217 -1.295 1
1 338 . 19 1 1 A 31 31 ARG CB C 31 29.302 31.268 -1.966 1
1 341 . 19 1 1 A 32 32 LYS H H 32 8.011 7.928 0.083 1
1 342 . 19 1 1 A 32 32 LYS HA H 32 4.164 4.601 -0.437 1
1 351 . 19 1 1 A 32 32 LYS C C 32 175.741 176.449 -0.708 1
1 352 . 19 1 1 A 32 32 LYS CA C 32 56.239 57.836 -1.597 1
1 353 . 19 1 1 A 32 32 LYS CB C 32 32.016 35.009 -2.993 1
1 357 . 19 1 1 A 32 32 LYS N N 32 117.463 116.564 0.899 1
1 358 . 19 1 1 A 33 33 ASN H H 33 7.870 8.176 -0.306 1
1 359 . 19 1 1 A 33 33 ASN HA H 33 4.807 4.732 0.075 1
1 364 . 19 1 1 A 33 33 ASN C C 33 173.681 175.700 -2.019 1
1 365 . 19 1 1 A 33 33 ASN CA C 33 52.551 53.961 -1.410 1
1 366 . 19 1 1 A 33 33 ASN CB C 33 39.830 39.459 0.371 1
1 367 . 19 1 1 A 33 33 ASN N N 33 117.522 117.733 -0.211 1
1 369 . 19 1 1 A 34 34 TRP H H 34 8.704 8.858 -0.154 1
1 370 . 19 1 1 A 34 34 TRP HA H 34 4.807 4.841 -0.034 1
1 379 . 19 1 1 A 34 34 TRP C C 34 176.129 176.097 0.032 1
1 380 . 19 1 1 A 34 34 TRP CA C 34 56.540 57.632 -1.092 1
1 381 . 19 1 1 A 34 34 TRP CB C 34 31.399 29.889 1.510 1
1 387 . 19 1 1 A 34 34 TRP N N 34 121.620 124.040 -2.420 1
1 389 . 19 1 1 A 35 35 LYS H H 35 8.457 9.057 -0.600 1
1 390 . 19 1 1 A 35 35 LYS HA H 35 4.876 4.845 0.031 1
1 399 . 19 1 1 A 35 35 LYS C C 35 176.081 175.738 0.343 1
1 400 . 19 1 1 A 35 35 LYS CA C 35 54.298 54.733 -0.435 1
1 401 . 19 1 1 A 35 35 LYS CB C 35 36.498 35.677 0.821 1
1 405 . 19 1 1 A 35 35 LYS N N 35 120.816 120.239 0.577 1
1 406 . 19 1 1 A 36 36 VAL H H 36 8.974 8.784 0.190 1
1 407 . 19 1 1 A 36 36 VAL HA H 36 4.254 4.362 -0.108 1
1 415 . 19 1 1 A 36 36 VAL C C 36 176.808 176.022 0.786 1
1 416 . 19 1 1 A 36 36 VAL CA C 36 63.828 63.155 0.673 1
1 417 . 19 1 1 A 36 36 VAL CB C 36 31.687 32.299 -0.612 1
1 420 . 19 1 1 A 36 36 VAL N N 36 123.825 125.514 -1.689 1
1 421 . 19 1 1 A 37 37 ARG H H 37 9.327 8.963 0.364 1
1 422 . 19 1 1 A 37 37 ARG HA H 37 4.930 4.806 0.124 1
1 427 . 19 1 1 A 37 37 ARG C C 37 173.815 174.193 -0.378 1
1 428 . 19 1 1 A 37 37 ARG CA C 37 54.351 54.930 -0.579 1
1 429 . 19 1 1 A 37 37 ARG CB C 37 34.709 34.060 0.649 1
1 432 . 19 1 1 A 37 37 ARG N N 37 128.926 126.298 2.628 1
1 433 . 19 1 1 A 38 38 LYS H H 38 8.714 8.652 0.062 1
1 434 . 19 1 1 A 38 38 LYS HA H 38 4.959 5.018 -0.059 1
1 443 . 19 1 1 A 38 38 LYS C C 38 175.075 175.368 -0.293 1
1 444 . 19 1 1 A 38 38 LYS CA C 38 55.869 56.071 -0.202 1
1 445 . 19 1 1 A 38 38 LYS CB C 38 34.072 33.612 0.460 1
1 449 . 19 1 1 A 38 38 LYS N N 38 121.669 125.109 -3.440 1
1 450 . 19 1 1 A 39 39 PHE H H 39 9.751 10.019 -0.268 1
1 451 . 19 1 1 A 39 39 PHE HA H 39 5.591 5.308 0.283 1
1 459 . 19 1 1 A 39 39 PHE C C 39 175.414 174.879 0.535 1
1 460 . 19 1 1 A 39 39 PHE CA C 39 57.474 56.923 0.551 1
1 461 . 19 1 1 A 39 39 PHE CB C 39 42.667 41.705 0.962 1
1 467 . 19 1 1 A 39 39 PHE N N 39 127.216 125.701 1.515 1
1 468 . 19 1 1 A 40 40 ILE H H 40 9.246 10.548 -1.302 1
1 469 . 19 1 1 A 40 40 ILE HA H 40 4.864 5.217 -0.353 1
1 479 . 19 1 1 A 40 40 ILE C C 40 174.724 174.329 0.395 1
1 480 . 19 1 1 A 40 40 ILE CA C 40 62.134 60.072 2.062 1
1 481 . 19 1 1 A 40 40 ILE CB C 40 41.022 41.052 -0.030 1
1 485 . 19 1 1 A 40 40 ILE N N 40 119.337 123.731 -4.394 1
1 486 . 19 1 1 A 41 41 LEU H H 41 9.549 9.333 0.216 1
1 487 . 19 1 1 A 41 41 LEU HA H 41 5.485 5.406 0.079 1
1 497 . 19 1 1 A 41 41 LEU C C 41 174.457 174.858 -0.401 1
1 498 . 19 1 1 A 41 41 LEU CA C 41 54.004 53.722 0.282 1
1 499 . 19 1 1 A 41 41 LEU CB C 41 45.299 45.308 -0.009 1
1 503 . 19 1 1 A 41 41 LEU N N 41 132.451 130.947 1.504 1
1 504 . 19 1 1 A 42 42 ARG H H 42 9.383 9.273 0.110 1
1 505 . 19 1 1 A 42 42 ARG HA H 42 5.492 5.493 -0.001 1
1 513 . 19 1 1 A 42 42 ARG C C 42 174.893 175.146 -0.253 1
1 514 . 19 1 1 A 42 42 ARG CA C 42 54.421 54.377 0.044 1
1 515 . 19 1 1 A 42 42 ARG CB C 42 35.470 33.179 2.291 1
1 518 . 19 1 1 A 42 42 ARG N N 42 128.467 125.670 2.797 1
1 520 . 19 1 1 A 43 43 GLU H H 43 8.259 8.307 -0.048 1
1 521 . 19 1 1 A 43 43 GLU HA H 43 4.366 4.794 -0.428 1
1 526 . 19 1 1 A 43 43 GLU C C 43 174.893 175.856 -0.963 1
1 527 . 19 1 1 A 43 43 GLU CA C 43 54.898 55.704 -0.806 1
1 528 . 19 1 1 A 43 43 GLU CB C 43 33.102 31.006 2.096 1
1 530 . 19 1 1 A 43 43 GLU N N 43 115.434 124.145 -8.711 1
1 531 . 19 1 1 A 44 44 ASP H H 44 7.870 9.067 -1.197 1
1 532 . 19 1 1 A 44 44 ASP HA H 44 4.433 4.294 0.139 1
1 535 . 19 1 1 A 44 44 ASP C C 44 172.991 174.259 -1.268 1
1 536 . 19 1 1 A 44 44 ASP CA C 44 53.892 54.979 -1.087 1
1 537 . 19 1 1 A 44 44 ASP CB C 44 41.146 39.673 1.473 1
1 538 . 19 1 1 A 44 44 ASP N N 44 114.444 120.124 -5.680 1
1 539 . 19 1 1 A 45 45 PRO HA H 45 4.710 4.589 0.121 1
1 546 . 19 1 1 A 45 45 PRO C C 45 176.747 175.586 1.161 1
1 547 . 19 1 1 A 45 45 PRO CA C 45 63.246 62.669 0.577 1
1 548 . 19 1 1 A 45 45 PRO CB C 45 34.977 32.709 2.268 1
1 551 . 19 1 1 A 46 46 ALA H H 46 8.356 8.299 0.057 1
1 552 . 19 1 1 A 46 46 ALA HA H 46 5.049 4.969 0.080 1
1 556 . 19 1 1 A 46 46 ALA C C 46 175.499 176.098 -0.599 1
1 557 . 19 1 1 A 46 46 ALA CA C 46 51.545 50.942 0.603 1
1 558 . 19 1 1 A 46 46 ALA CB C 46 19.655 19.728 -0.073 1
1 559 . 19 1 1 A 46 46 ALA N N 46 122.969 123.375 -0.406 1
1 560 . 19 1 1 A 47 47 TYR H H 47 8.047 9.567 -1.520 1
1 561 . 19 1 1 A 47 47 TYR HA H 47 5.097 5.083 0.014 1
1 568 . 19 1 1 A 47 47 TYR C C 47 173.730 174.455 -0.725 1
1 569 . 19 1 1 A 47 47 TYR CA C 47 57.563 56.716 0.847 1
1 570 . 19 1 1 A 47 47 TYR CB C 47 45.711 43.440 2.271 1
1 575 . 19 1 1 A 47 47 TYR N N 47 126.550 121.085 5.465 1
1 576 . 19 1 1 A 48 48 LEU H H 48 8.776 8.769 0.007 1
1 577 . 19 1 1 A 48 48 LEU HA H 48 5.578 5.586 -0.008 1
1 587 . 19 1 1 A 48 48 LEU C C 48 175.039 174.871 0.168 1
1 588 . 19 1 1 A 48 48 LEU CA C 48 53.134 53.841 -0.707 1
1 589 . 19 1 1 A 48 48 LEU CB C 48 46.369 44.960 1.409 1
1 593 . 19 1 1 A 48 48 LEU N N 48 120.864 124.779 -3.915 1
1 594 . 19 1 1 A 49 49 HIS H H 49 8.974 9.294 -0.320 1
1 595 . 19 1 1 A 49 49 HIS HA H 49 5.181 5.194 -0.013 1
1 600 . 19 1 1 A 49 49 HIS C C 49 174.712 173.901 0.811 1
1 601 . 19 1 1 A 49 49 HIS CA C 49 57.916 54.293 3.623 1
1 602 . 19 1 1 A 49 49 HIS CB C 49 35.347 32.427 2.920 1
1 605 . 19 1 1 A 49 49 HIS N N 49 124.417 126.392 -1.975 1
1 606 . 19 1 1 A 50 50 TYR H H 50 7.348 7.755 -0.407 1
1 607 . 19 1 1 A 50 50 TYR HA H 50 5.909 5.951 -0.042 1
1 614 . 19 1 1 A 50 50 TYR C C 50 174.239 172.815 1.424 1
1 615 . 19 1 1 A 50 50 TYR CA C 50 53.610 54.930 -1.320 1
1 616 . 19 1 1 A 50 50 TYR CB C 50 40.077 41.602 -1.525 1
1 621 . 19 1 1 A 50 50 TYR N N 50 114.323 118.552 -4.229 1
1 622 . 19 1 1 A 51 51 TYR H H 51 9.230 9.312 -0.082 1
1 623 . 19 1 1 A 51 51 TYR HA H 51 4.555 5.029 -0.474 1
1 630 . 19 1 1 A 51 51 TYR C C 51 175.572 174.367 1.205 1
1 631 . 19 1 1 A 51 51 TYR CA C 51 57.175 56.684 0.491 1
1 632 . 19 1 1 A 51 51 TYR CB C 51 42.709 43.291 -0.582 1
1 637 . 19 1 1 A 51 51 TYR N N 51 117.695 119.669 -1.974 1
1 638 . 19 1 1 A 52 52 ASP H H 52 9.390 8.777 0.613 1
1 639 . 19 1 1 A 52 52 ASP HA H 52 4.937 4.792 0.145 1
1 642 . 19 1 1 A 52 52 ASP CA C 52 52.057 52.083 -0.026 1
1 643 . 19 1 1 A 52 52 ASP CB C 52 42.197 41.927 0.270 1
1 644 . 19 1 1 A 52 52 ASP N N 52 123.964 122.876 1.088 1
1 645 . 19 1 1 A 53 53 PRO HA H 53 4.274 4.489 -0.215 1
1 652 . 19 1 1 A 53 53 PRO C C 53 176.360 177.861 -1.501 1
1 653 . 19 1 1 A 53 53 PRO CA C 53 64.728 64.828 -0.100 1
1 654 . 19 1 1 A 53 53 PRO CB C 53 32.016 32.014 0.002 1
1 657 . 19 1 1 A 54 54 ALA H H 54 8.384 7.659 0.725 1
1 658 . 19 1 1 A 54 54 ALA HA H 54 4.492 4.181 0.311 1
1 662 . 19 1 1 A 54 54 ALA C C 54 177.620 177.967 -0.347 1
1 663 . 19 1 1 A 54 54 ALA CA C 54 52.022 52.977 -0.955 1
1 664 . 19 1 1 A 54 54 ALA CB C 54 19.202 19.676 -0.474 1
1 665 . 19 1 1 A 54 54 ALA N N 54 120.140 119.234 0.906 1
1 666 . 19 1 1 A 55 55 GLY H H 55 7.710 7.621 0.089 1
1 667 . 19 1 1 A 55 55 GLY HA2 H 55 4.194 4.054 0.140 1
1 668 . 19 1 1 A 55 55 GLY HA3 H 55 3.833 4.054 -0.221 1
1 669 . 19 1 1 A 55 55 GLY C C 55 173.524 172.366 1.158 1
1 670 . 19 1 1 A 55 55 GLY CA C 55 45.421 45.149 0.272 1
1 671 . 19 1 1 A 55 55 GLY N N 55 107.828 104.438 3.390 1
1 672 . 19 1 1 A 56 56 ALA H H 56 8.339 8.621 -0.282 1
1 673 . 19 1 1 A 56 56 ALA HA H 56 4.378 4.761 -0.383 1
1 677 . 19 1 1 A 56 56 ALA C C 56 177.741 176.398 1.343 1
1 678 . 19 1 1 A 56 56 ALA CA C 56 52.410 51.343 1.067 1
1 679 . 19 1 1 A 56 56 ALA CB C 56 19.843 22.744 -2.901 1
1 680 . 19 1 1 A 56 56 ALA N N 56 125.269 125.292 -0.023 1
1 681 . 19 1 1 A 57 57 GLU H H 57 8.567 9.094 -0.527 1
1 682 . 19 1 1 A 57 57 GLU HA H 57 4.160 4.475 -0.315 1
1 687 . 19 1 1 A 57 57 GLU C C 57 176.335 175.621 0.714 1
1 688 . 19 1 1 A 57 57 GLU CA C 57 57.616 57.919 -0.303 1
1 689 . 19 1 1 A 57 57 GLU CB C 57 30.083 32.135 -2.052 1
1 691 . 19 1 1 A 57 57 GLU N N 57 119.341 117.839 1.502 1
1 692 . 19 1 1 A 58 58 ASP H H 58 7.718 7.804 -0.086 1
1 693 . 19 1 1 A 58 58 ASP HA H 58 5.010 4.864 0.146 1
1 696 . 19 1 1 A 58 58 ASP C C 58 173.209 175.373 -2.164 1
1 697 . 19 1 1 A 58 58 ASP CA C 58 52.128 52.540 -0.412 1
1 698 . 19 1 1 A 58 58 ASP CB C 58 40.981 40.567 0.414 1
1 699 . 19 1 1 A 58 58 ASP N N 58 118.499 117.142 1.357 1
1 700 . 19 1 1 A 59 59 PRO HA H 59 3.493 4.149 -0.656 1
1 707 . 19 1 1 A 59 59 PRO C C 59 177.111 177.508 -0.397 1
1 708 . 19 1 1 A 59 59 PRO CA C 59 63.069 62.312 0.757 1
1 709 . 19 1 1 A 59 59 PRO CB C 59 31.229 30.915 0.314 1
1 712 . 19 1 1 A 60 60 LEU H H 60 8.770 8.351 0.419 1
1 713 . 19 1 1 A 60 60 LEU HA H 60 4.114 3.862 0.252 1
1 723 . 19 1 1 A 60 60 LEU C C 60 177.268 176.688 0.580 1
1 724 . 19 1 1 A 60 60 LEU CA C 60 55.181 57.899 -2.718 1
1 725 . 19 1 1 A 60 60 LEU CB C 60 42.750 41.949 0.801 1
1 729 . 19 1 1 A 60 60 LEU N N 60 121.907 122.963 -1.056 1
1 730 . 19 1 1 A 61 61 GLY H H 61 6.472 6.226 0.246 1
1 731 . 19 1 1 A 61 61 GLY HA2 H 61 3.798 3.765 0.033 1
1 732 . 19 1 1 A 61 61 GLY HA3 H 61 3.382 3.867 -0.485 1
1 733 . 19 1 1 A 61 61 GLY C C 61 169.367 170.429 -1.062 1
1 734 . 19 1 1 A 61 61 GLY CA C 61 45.033 45.215 -0.182 1
1 735 . 19 1 1 A 61 61 GLY N N 61 103.740 102.558 1.182 1
1 736 . 19 1 1 A 62 62 ALA H H 62 8.024 8.453 -0.429 1
1 737 . 19 1 1 A 62 62 ALA HA H 62 4.644 5.311 -0.667 1
1 741 . 19 1 1 A 62 62 ALA C C 62 176.226 175.247 0.979 1
1 742 . 19 1 1 A 62 62 ALA CA C 62 50.839 50.884 -0.045 1
1 743 . 19 1 1 A 62 62 ALA CB C 62 23.914 23.080 0.834 1
1 744 . 19 1 1 A 62 62 ALA N N 62 120.249 122.105 -1.856 1
1 745 . 19 1 1 A 63 63 ILE H H 63 8.810 8.784 0.026 1
1 746 . 19 1 1 A 63 63 ILE HA H 63 4.119 4.763 -0.644 1
1 756 . 19 1 1 A 63 63 ILE C C 63 174.724 175.405 -0.681 1
1 757 . 19 1 1 A 63 63 ILE CA C 63 60.757 60.361 0.396 1
1 758 . 19 1 1 A 63 63 ILE CB C 63 40.319 40.823 -0.504 1
1 762 . 19 1 1 A 63 63 ILE N N 63 122.110 118.901 3.209 1
1 763 . 19 1 1 A 64 64 HIS H H 64 9.073 9.124 -0.051 1
1 764 . 19 1 1 A 64 64 HIS HA H 64 3.948 4.469 -0.521 1
1 769 . 19 1 1 A 64 64 HIS C C 64 176.529 175.593 0.936 1
1 770 . 19 1 1 A 64 64 HIS CA C 64 54.951 57.461 -2.510 1
1 771 . 19 1 1 A 64 64 HIS CB C 64 30.494 30.818 -0.324 1
1 774 . 19 1 1 A 64 64 HIS N N 64 129.092 128.018 1.074 1
1 775 . 19 1 1 A 65 65 LEU H H 65 7.770 7.909 -0.139 1
1 776 . 19 1 1 A 65 65 LEU HA H 65 4.074 4.446 -0.372 1
1 786 . 19 1 1 A 65 65 LEU C C 65 176.808 177.217 -0.409 1
1 787 . 19 1 1 A 65 65 LEU CA C 65 54.951 54.539 0.412 1
1 788 . 19 1 1 A 65 65 LEU CB C 65 42.667 42.111 0.556 1
1 792 . 19 1 1 A 65 65 LEU N N 65 124.760 128.458 -3.698 1
1 793 . 19 1 1 A 66 66 ARG H H 66 6.515 7.038 -0.523 1
1 794 . 19 1 1 A 66 66 ARG HA H 66 4.085 3.748 0.337 1
1 801 . 19 1 1 A 66 66 ARG C C 66 178.638 177.645 0.993 1
1 802 . 19 1 1 A 66 66 ARG CA C 66 58.092 59.088 -0.996 1
1 803 . 19 1 1 A 66 66 ARG CB C 66 29.525 29.396 0.129 1
1 806 . 19 1 1 A 66 66 ARG N N 66 120.462 120.977 -0.515 1
1 807 . 19 1 1 A 67 67 GLY H H 67 9.300 7.692 1.608 1
1 808 . 19 1 1 A 67 67 GLY HA2 H 67 4.045 3.957 0.088 1
1 809 . 19 1 1 A 67 67 GLY HA3 H 67 3.826 3.960 -0.134 1
1 810 . 19 1 1 A 67 67 GLY C C 67 173.996 173.986 0.010 1
1 811 . 19 1 1 A 67 67 GLY CA C 67 46.162 45.499 0.663 1
1 812 . 19 1 1 A 67 67 GLY N N 67 118.040 106.698 11.342 1
1 813 . 19 1 1 A 68 68 CYS H H 68 7.789 7.610 0.179 1
1 814 . 19 1 1 A 68 68 CYS HA H 68 4.779 4.406 0.373 1
1 817 . 19 1 1 A 68 68 CYS C C 68 173.148 173.998 -0.850 1
1 818 . 19 1 1 A 68 68 CYS CA C 68 57.545 58.972 -1.427 1
1 819 . 19 1 1 A 68 68 CYS CB C 68 28.644 29.008 -0.364 1
1 820 . 19 1 1 A 68 68 CYS N N 68 116.032 118.624 -2.592 1
1 821 . 19 1 1 A 69 69 VAL H H 69 8.665 9.423 -0.758 1
1 822 . 19 1 1 A 69 69 VAL HA H 69 4.364 4.755 -0.391 1
1 830 . 19 1 1 A 69 69 VAL C C 69 174.154 174.976 -0.822 1
1 831 . 19 1 1 A 69 69 VAL CA C 69 61.464 60.536 0.928 1
1 832 . 19 1 1 A 69 69 VAL CB C 69 35.041 35.834 -0.793 1
1 835 . 19 1 1 A 69 69 VAL N N 69 120.327 120.953 -0.626 1
1 836 . 19 1 1 A 70 70 VAL H H 70 8.656 8.791 -0.135 1
1 837 . 19 1 1 A 70 70 VAL HA H 70 5.543 5.147 0.396 1
1 845 . 19 1 1 A 70 70 VAL C C 70 174.105 175.464 -1.359 1
1 846 . 19 1 1 A 70 70 VAL CA C 70 59.028 61.028 -2.000 1
1 847 . 19 1 1 A 70 70 VAL CB C 70 34.237 34.567 -0.330 1
1 850 . 19 1 1 A 70 70 VAL N N 70 124.719 125.609 -0.890 1
1 851 . 19 1 1 A 71 71 THR H H 71 8.883 8.491 0.392 1
1 852 . 19 1 1 A 71 71 THR HA H 71 4.724 4.755 -0.031 1
1 857 . 19 1 1 A 71 71 THR C C 71 173.087 172.462 0.625 1
1 858 . 19 1 1 A 71 71 THR CA C 71 59.875 60.886 -1.011 1
1 859 . 19 1 1 A 71 71 THR CB C 71 71.290 70.332 0.958 1
1 861 . 19 1 1 A 71 71 THR N N 71 120.107 119.876 0.231 1
1 862 . 19 1 1 A 72 72 SER H H 72 8.706 8.884 -0.178 1
1 863 . 19 1 1 A 72 72 SER HA H 72 4.455 5.395 -0.940 1
1 866 . 19 1 1 A 72 72 SER C C 72 174.082 174.671 -0.589 1
1 867 . 19 1 1 A 72 72 SER CA C 72 59.204 56.946 2.258 1
1 868 . 19 1 1 A 72 72 SER CB C 72 63.476 65.745 -2.269 1
1 869 . 19 1 1 A 72 72 SER N N 72 120.128 119.315 0.813 1
1 870 . 19 1 1 A 73 73 VAL H H 73 7.825 8.540 -0.715 1
1 871 . 19 1 1 A 73 73 VAL HA H 73 4.302 4.822 -0.520 1
1 879 . 19 1 1 A 73 73 VAL C C 73 175.160 176.583 -1.423 1
1 880 . 19 1 1 A 73 73 VAL CA C 73 62.010 59.822 2.188 1
1 881 . 19 1 1 A 73 73 VAL CB C 73 33.579 34.402 -0.823 1
1 884 . 19 1 1 A 73 73 VAL N N 73 125.377 117.644 7.733 1
1 885 . 19 1 1 A 74 74 GLU H H 74 8.706 8.587 0.119 1
1 886 . 19 1 1 A 74 74 GLU HA H 74 4.544 4.525 0.019 1
1 891 . 19 1 1 A 74 74 GLU C C 74 176.420 175.863 0.557 1
1 892 . 19 1 1 A 74 74 GLU CA C 74 55.622 56.004 -0.382 1
1 893 . 19 1 1 A 74 74 GLU CB C 74 30.741 29.506 1.235 1
1 895 . 19 1 1 A 74 74 GLU N N 74 126.564 119.789 6.775 1
1 896 . 19 1 1 A 75 75 SER H H 75 8.639 7.605 1.034 1
1 897 . 19 1 1 A 75 75 SER HA H 75 4.447 5.046 -0.599 1
1 900 . 19 1 1 A 75 75 SER C C 75 174.299 173.243 1.056 1
1 901 . 19 1 1 A 75 75 SER CA C 75 58.339 57.027 1.312 1
1 902 . 19 1 1 A 75 75 SER CB C 75 64.170 64.459 -0.289 1
1 903 . 19 1 1 A 75 75 SER N N 75 117.961 117.115 0.846 1
1 904 . 19 1 1 A 76 76 ASN H H 76 8.672 8.773 -0.101 1
1 905 . 19 1 1 A 76 76 ASN HA H 76 4.795 5.103 -0.308 1
1 910 . 19 1 1 A 76 76 ASN C C 76 175.584 173.975 1.609 1
1 911 . 19 1 1 A 76 76 ASN CA C 76 53.292 51.855 1.437 1
1 912 . 19 1 1 A 76 76 ASN CB C 76 39.089 41.417 -2.328 1
1 913 . 19 1 1 A 76 76 ASN N N 76 121.138 124.341 -3.203 1
1 915 . 19 1 1 A 78 78 ASN HA H 78 4.635 4.859 -0.224 1
1 920 . 19 1 1 A 78 78 ASN C C 78 175.681 175.380 0.301 1
1 921 . 19 1 1 A 78 78 ASN CA C 78 53.610 52.027 1.583 1
1 922 . 19 1 1 A 78 78 ASN CB C 78 38.496 37.832 0.664 1
1 924 . 19 1 1 A 79 79 GLY H H 79 8.356 8.549 -0.193 1
1 925 . 19 1 1 A 79 79 GLY HA2 H 79 3.821 4.094 -0.273 1
1 926 . 19 1 1 A 79 79 GLY HA3 H 79 4.011 4.096 -0.085 1
1 927 . 19 1 1 A 79 79 GLY C C 79 174.154 174.777 -0.623 1
1 928 . 19 1 1 A 79 79 GLY CA C 79 45.563 44.627 0.936 1
1 929 . 19 1 1 A 79 79 GLY N N 79 108.284 112.920 -4.636 1
1 930 . 19 1 1 A 80 80 ARG H H 80 7.919 8.483 -0.564 1
1 931 . 19 1 1 A 80 80 ARG HA H 80 4.344 3.972 0.372 1
1 938 . 19 1 1 A 80 80 ARG C C 80 176.117 177.121 -1.004 1
1 939 . 19 1 1 A 80 80 ARG CA C 80 55.905 59.069 -3.164 1
1 940 . 19 1 1 A 80 80 ARG CB C 80 30.782 30.222 0.560 1
1 943 . 19 1 1 A 80 80 ARG N N 80 120.470 118.494 1.976 1
1 944 . 19 1 1 A 81 81 LYS H H 81 8.427 7.849 0.578 1
1 945 . 19 1 1 A 81 81 LYS HA H 81 4.350 4.286 0.064 1
1 954 . 19 1 1 A 81 81 LYS C C 81 176.808 176.022 0.786 1
1 955 . 19 1 1 A 81 81 LYS CA C 81 56.416 56.242 0.174 1
1 956 . 19 1 1 A 81 81 LYS CB C 81 32.797 32.758 0.039 1
1 960 . 19 1 1 A 81 81 LYS N N 81 122.963 118.498 4.465 1
1 961 . 19 1 1 A 82 82 SER H H 82 8.440 8.616 -0.176 1
1 962 . 19 1 1 A 82 82 SER HA H 82 4.380 4.600 -0.220 1
1 965 . 19 1 1 A 82 82 SER C C 82 174.833 173.515 1.318 1
1 966 . 19 1 1 A 82 82 SER CA C 82 58.763 57.200 1.563 1
1 967 . 19 1 1 A 82 82 SER CB C 82 63.723 63.471 0.252 1
1 968 . 19 1 1 A 82 82 SER N N 82 118.053 118.779 -0.726 1
1 969 . 19 1 1 A 83 83 GLU H H 83 8.648 9.000 -0.352 1
1 970 . 19 1 1 A 83 83 GLU HA H 83 4.233 4.565 -0.332 1
1 975 . 19 1 1 A 83 83 GLU C C 83 176.311 176.221 0.090 1
1 976 . 19 1 1 A 83 83 GLU CA C 83 57.104 57.123 -0.019 1
1 977 . 19 1 1 A 83 83 GLU CB C 83 29.795 32.302 -2.507 1
1 979 . 19 1 1 A 83 83 GLU N N 83 121.793 125.636 -3.843 1
1 980 . 19 1 1 A 84 84 GLU H H 84 8.088 7.705 0.383 1
1 981 . 19 1 1 A 84 84 GLU HA H 84 4.161 4.414 -0.253 1
1 986 . 19 1 1 A 84 84 GLU C C 84 175.523 175.094 0.429 1
1 987 . 19 1 1 A 84 84 GLU CA C 84 56.275 55.072 1.203 1
1 988 . 19 1 1 A 84 84 GLU CB C 84 30.165 32.978 -2.813 1
1 990 . 19 1 1 A 84 84 GLU N N 84 119.385 117.166 2.219 1
1 991 . 19 1 1 A 85 85 GLU H H 85 7.907 8.367 -0.460 1
1 992 . 19 1 1 A 85 85 GLU HA H 85 4.350 4.534 -0.184 1
1 997 . 19 1 1 A 85 85 GLU C C 85 175.002 176.545 -1.543 1
1 998 . 19 1 1 A 85 85 GLU CA C 85 55.569 55.277 0.292 1
1 999 . 19 1 1 A 85 85 GLU CB C 85 32.098 31.043 1.055 1
1 1001 . 19 1 1 A 85 85 GLU N N 85 120.414 124.148 -3.734 1
1 1002 . 19 1 1 A 86 86 ASN H H 86 8.569 8.533 0.036 1
1 1003 . 19 1 1 A 86 86 ASN HA H 86 4.225 4.887 -0.662 1
1 1008 . 19 1 1 A 86 86 ASN C C 86 175.147 175.393 -0.246 1
1 1009 . 19 1 1 A 86 86 ASN CA C 86 54.068 53.545 0.523 1
1 1010 . 19 1 1 A 86 86 ASN CB C 86 38.185 38.630 -0.445 1
1 1011 . 19 1 1 A 86 86 ASN N N 86 114.602 118.510 -3.908 1
1 1013 . 19 1 1 A 87 87 LEU H H 87 8.483 8.997 -0.514 1
1 1014 . 19 1 1 A 87 87 LEU HA H 87 5.186 5.529 -0.343 1
1 1024 . 19 1 1 A 87 87 LEU C C 87 178.480 175.843 2.637 1
1 1025 . 19 1 1 A 87 87 LEU CA C 87 55.128 53.153 1.975 1
1 1026 . 19 1 1 A 87 87 LEU CB C 87 44.559 45.687 -1.128 1
1 1030 . 19 1 1 A 87 87 LEU N N 87 121.334 126.005 -4.671 1
1 1031 . 19 1 1 A 88 88 PHE H H 88 9.512 8.128 1.384 1
1 1032 . 19 1 1 A 88 88 PHE HA H 88 5.156 5.096 0.060 1
1 1040 . 19 1 1 A 88 88 PHE C C 88 170.288 172.009 -1.721 1
1 1041 . 19 1 1 A 88 88 PHE CA C 88 56.787 56.567 0.220 1
1 1042 . 19 1 1 A 88 88 PHE CB C 88 41.763 40.698 1.065 1
1 1048 . 19 1 1 A 88 88 PHE N N 88 119.324 117.047 2.277 1
1 1049 . 19 1 1 A 89 89 GLU H H 89 9.028 8.952 0.076 1
1 1050 . 19 1 1 A 89 89 GLU HA H 89 5.293 5.039 0.254 1
1 1055 . 19 1 1 A 89 89 GLU C C 89 175.245 174.942 0.303 1
1 1056 . 19 1 1 A 89 89 GLU CA C 89 53.433 55.076 -1.643 1
1 1057 . 19 1 1 A 89 89 GLU CB C 89 34.566 31.774 2.792 1
1 1059 . 19 1 1 A 89 89 GLU N N 89 121.829 119.739 2.090 1
1 1060 . 19 1 1 A 90 90 ILE H H 90 8.655 8.476 0.179 1
1 1061 . 19 1 1 A 90 90 ILE HA H 90 4.793 4.679 0.114 1
1 1071 . 19 1 1 A 90 90 ILE C C 90 174.808 175.195 -0.387 1
1 1072 . 19 1 1 A 90 90 ILE CA C 90 59.857 60.355 -0.498 1
1 1073 . 19 1 1 A 90 90 ILE CB C 90 41.886 39.744 2.142 1
1 1077 . 19 1 1 A 90 90 ILE N N 90 123.446 126.304 -2.858 1
1 1078 . 19 1 1 A 91 91 ILE H H 91 9.199 8.561 0.638 1
1 1079 . 19 1 1 A 91 91 ILE HA H 91 4.724 4.537 0.187 1
1 1089 . 19 1 1 A 91 91 ILE C C 91 177.898 176.553 1.345 1
1 1090 . 19 1 1 A 91 91 ILE CA C 91 60.211 61.356 -1.145 1
1 1091 . 19 1 1 A 91 91 ILE CB C 91 39.043 37.461 1.582 1
1 1095 . 19 1 1 A 91 91 ILE N N 91 126.827 128.670 -1.843 1
1 1096 . 19 1 1 A 92 92 THR H H 92 9.086 8.332 0.754 1
1 1097 . 19 1 1 A 92 92 THR HA H 92 4.314 4.765 -0.451 1
1 1102 . 19 1 1 A 92 92 THR C C 92 176.857 174.626 2.231 1
1 1103 . 19 1 1 A 92 92 THR CA C 92 61.693 60.400 1.293 1
1 1104 . 19 1 1 A 92 92 THR CB C 92 70.920 69.900 1.020 1
1 1106 . 19 1 1 A 92 92 THR N N 92 117.131 117.942 -0.811 1
1 1107 . 19 1 1 A 93 93 ALA H H 93 9.192 8.620 0.572 1
1 1108 . 19 1 1 A 93 93 ALA HA H 93 4.101 4.108 -0.007 1
1 1112 . 19 1 1 A 93 93 ALA C C 93 178.008 178.248 -0.240 1
1 1113 . 19 1 1 A 93 93 ALA CA C 93 54.634 54.172 0.462 1
1 1114 . 19 1 1 A 93 93 ALA CB C 93 18.198 18.597 -0.399 1
1 1115 . 19 1 1 A 93 93 ALA N N 93 123.540 123.119 0.421 1
1 1116 . 19 1 1 A 94 94 ASP H H 94 7.979 7.804 0.175 1
1 1117 . 19 1 1 A 94 94 ASP HA H 94 4.724 4.766 -0.042 1
1 1120 . 19 1 1 A 94 94 ASP C C 94 174.324 175.731 -1.407 1
1 1121 . 19 1 1 A 94 94 ASP CA C 94 53.098 53.675 -0.577 1
1 1122 . 19 1 1 A 94 94 ASP CB C 94 39.336 40.922 -1.586 1
1 1123 . 19 1 1 A 94 94 ASP N N 94 113.209 117.349 -4.140 1
1 1124 . 19 1 1 A 95 95 GLU H H 95 8.152 7.981 0.171 1
1 1125 . 19 1 1 A 95 95 GLU HA H 95 3.430 3.788 -0.358 1
1 1130 . 19 1 1 A 95 95 GLU C C 95 174.578 175.409 -0.831 1
1 1131 . 19 1 1 A 95 95 GLU CA C 95 57.687 58.096 -0.409 1
1 1132 . 19 1 1 A 95 95 GLU CB C 95 26.300 27.635 -1.335 1
1 1134 . 19 1 1 A 95 95 GLU N N 95 114.010 116.803 -2.793 1
1 1135 . 19 1 1 A 96 96 VAL H H 96 7.595 7.228 0.367 1
1 1136 . 19 1 1 A 96 96 VAL HA H 96 4.063 3.873 0.190 1
1 1144 . 19 1 1 A 96 96 VAL C C 96 175.293 175.260 0.033 1
1 1145 . 19 1 1 A 96 96 VAL CA C 96 62.751 62.971 -0.220 1
1 1146 . 19 1 1 A 96 96 VAL CB C 96 31.440 31.401 0.039 1
1 1149 . 19 1 1 A 96 96 VAL N N 96 120.925 120.486 0.439 1
1 1150 . 19 1 1 A 97 97 HIS H H 97 8.603 9.122 -0.519 1
1 1151 . 19 1 1 A 97 97 HIS HA H 97 5.234 5.084 0.150 1
1 1156 . 19 1 1 A 97 97 HIS C C 97 174.348 173.448 0.900 1
1 1157 . 19 1 1 A 97 97 HIS CA C 97 54.404 53.628 0.776 1
1 1158 . 19 1 1 A 97 97 HIS CB C 97 30.536 32.025 -1.489 1
1 1161 . 19 1 1 A 97 97 HIS N N 97 124.160 126.672 -2.512 1
1 1162 . 19 1 1 A 98 98 TYR H H 98 9.267 8.869 0.398 1
1 1163 . 19 1 1 A 98 98 TYR HA H 98 4.532 4.812 -0.280 1
1 1170 . 19 1 1 A 98 98 TYR C C 98 173.621 174.323 -0.702 1
1 1171 . 19 1 1 A 98 98 TYR CA C 98 57.122 56.243 0.879 1
1 1172 . 19 1 1 A 98 98 TYR CB C 98 41.228 41.750 -0.522 1
1 1177 . 19 1 1 A 98 98 TYR N N 98 121.543 120.284 1.259 1
1 1178 . 19 1 1 A 99 99 PHE H H 99 8.861 9.022 -0.161 1
1 1179 . 19 1 1 A 99 99 PHE HA H 99 4.983 5.117 -0.134 1
1 1186 . 19 1 1 A 99 99 PHE C C 99 173.754 174.709 -0.955 1
1 1187 . 19 1 1 A 99 99 PHE CA C 99 57.705 56.836 0.869 1
1 1188 . 19 1 1 A 99 99 PHE CB C 99 41.516 39.526 1.990 1
1 1193 . 19 1 1 A 99 99 PHE N N 99 121.699 122.930 -1.231 1
1 1194 . 19 1 1 A 100 100 LEU H H 100 8.529 8.052 0.477 1
1 1195 . 19 1 1 A 100 100 LEU HA H 100 5.345 5.368 -0.023 1
1 1205 . 19 1 1 A 100 100 LEU C C 100 174.942 175.469 -0.527 1
1 1206 . 19 1 1 A 100 100 LEU CA C 100 52.781 52.783 -0.002 1
1 1207 . 19 1 1 A 100 100 LEU CB C 100 44.518 44.357 0.161 1
1 1211 . 19 1 1 A 100 100 LEU N N 100 123.519 124.922 -1.403 1
1 1212 . 19 1 1 A 101 101 GLN H H 101 8.717 8.552 0.165 1
1 1213 . 19 1 1 A 101 101 GLN HA H 101 4.886 5.221 -0.335 1
1 1220 . 19 1 1 A 101 101 GLN C C 101 175.390 174.281 1.109 1
1 1221 . 19 1 1 A 101 101 GLN CA C 101 54.934 54.373 0.561 1
1 1222 . 19 1 1 A 101 101 GLN CB C 101 32.222 32.097 0.125 1
1 1224 . 19 1 1 A 101 101 GLN N N 101 117.786 121.328 -3.542 1
1 1226 . 19 1 1 A 102 102 ALA H H 102 8.256 8.968 -0.712 1
1 1227 . 19 1 1 A 102 102 ALA HA H 102 4.862 4.922 -0.060 1
1 1231 . 19 1 1 A 102 102 ALA C C 102 176.008 177.861 -1.853 1
1 1232 . 19 1 1 A 102 102 ALA CA C 102 50.098 50.450 -0.352 1
1 1233 . 19 1 1 A 102 102 ALA CB C 102 21.606 21.370 0.236 1
1 1234 . 19 1 1 A 102 102 ALA N N 102 128.068 128.847 -0.779 1
1 1235 . 19 1 1 A 103 103 ALA H H 103 9.255 8.682 0.573 1
1 1236 . 19 1 1 A 103 103 ALA HA H 103 4.247 4.200 0.047 1
1 1240 . 19 1 1 A 103 103 ALA C C 103 178.153 177.889 0.264 1
1 1241 . 19 1 1 A 103 103 ALA CA C 103 54.369 55.292 -0.923 1
1 1242 . 19 1 1 A 103 103 ALA CB C 103 20.377 18.688 1.689 1
1 1243 . 19 1 1 A 103 103 ALA N N 103 120.410 122.764 -2.354 1
1 1244 . 19 1 1 A 104 104 THR H H 104 7.149 7.813 -0.664 1
1 1245 . 19 1 1 A 104 104 THR HA H 104 4.846 4.701 0.145 1
1 1250 . 19 1 1 A 104 104 THR C C 104 173.354 174.727 -1.373 1
1 1251 . 19 1 1 A 104 104 THR CA C 104 57.810 60.067 -2.257 1
1 1252 . 19 1 1 A 104 104 THR CB C 104 71.496 69.428 2.068 1
1 1254 . 19 1 1 A 104 104 THR N N 104 103.106 109.532 -6.426 1
1 1255 . 19 1 1 A 105 105 PRO HA H 105 4.225 4.555 -0.330 1
1 1262 . 19 1 1 A 105 105 PRO C C 105 179.704 178.137 1.567 1
1 1263 . 19 1 1 A 105 105 PRO CA C 105 65.046 64.428 0.618 1
1 1264 . 19 1 1 A 105 105 PRO CB C 105 31.775 31.959 -0.184 1
1 1267 . 19 1 1 A 106 106 LYS H H 106 7.764 7.952 -0.188 1
1 1268 . 19 1 1 A 106 106 LYS HA H 106 4.036 4.066 -0.030 1
1 1277 . 19 1 1 A 106 106 LYS C C 106 177.959 178.585 -0.626 1
1 1278 . 19 1 1 A 106 106 LYS CA C 106 59.452 59.444 0.008 1
1 1279 . 19 1 1 A 106 106 LYS CB C 106 32.797 31.935 0.862 1
1 1283 . 19 1 1 A 106 106 LYS N N 106 119.261 118.659 0.602 1
1 1284 . 19 1 1 A 107 107 GLU H H 107 8.005 8.050 -0.045 1
1 1285 . 19 1 1 A 107 107 GLU HA H 107 4.171 4.033 0.138 1
1 1290 . 19 1 1 A 107 107 GLU C C 107 178.529 178.534 -0.005 1
1 1291 . 19 1 1 A 107 107 GLU CA C 107 59.310 59.345 -0.035 1
1 1292 . 19 1 1 A 107 107 GLU CB C 107 31.111 29.252 1.859 1
1 1294 . 19 1 1 A 107 107 GLU N N 107 119.293 118.583 0.710 1
1 1295 . 19 1 1 A 108 108 ARG H H 108 7.810 7.546 0.264 1
1 1296 . 19 1 1 A 108 108 ARG HA H 108 3.603 3.994 -0.391 1
1 1303 . 19 1 1 A 108 108 ARG C C 108 176.287 178.841 -2.554 1
1 1304 . 19 1 1 A 108 108 ARG CA C 108 60.598 58.961 1.637 1
1 1305 . 19 1 1 A 108 108 ARG CB C 108 29.548 30.188 -0.640 1
1 1308 . 19 1 1 A 108 108 ARG N N 108 118.989 119.344 -0.355 1
1 1309 . 19 1 1 A 109 109 THR H H 109 8.195 8.094 0.101 1
1 1310 . 19 1 1 A 109 109 THR HA H 109 3.645 3.772 -0.127 1
1 1315 . 19 1 1 A 109 109 THR C C 109 176.227 176.491 -0.264 1
1 1316 . 19 1 1 A 109 109 THR CA C 109 67.022 67.348 -0.326 1
1 1317 . 19 1 1 A 109 109 THR CB C 109 68.576 68.497 0.079 1
1 1319 . 19 1 1 A 109 109 THR N N 109 115.975 115.718 0.257 1
1 1320 . 19 1 1 A 110 110 GLU H H 110 8.274 8.540 -0.266 1
1 1321 . 19 1 1 A 110 110 GLU HA H 110 3.794 3.896 -0.102 1
1 1326 . 19 1 1 A 110 110 GLU C C 110 180.516 179.222 1.294 1
1 1327 . 19 1 1 A 110 110 GLU CA C 110 59.534 59.645 -0.111 1
1 1328 . 19 1 1 A 110 110 GLU CB C 110 29.507 29.315 0.192 1
1 1330 . 19 1 1 A 110 110 GLU N N 110 119.565 118.952 0.613 1
1 1331 . 19 1 1 A 111 111 TRP H H 111 8.316 8.758 -0.442 1
1 1332 . 19 1 1 A 111 111 TRP HA H 111 3.912 4.379 -0.467 1
1 1341 . 19 1 1 A 111 111 TRP C C 111 178.020 178.550 -0.530 1
1 1342 . 19 1 1 A 111 111 TRP CA C 111 62.464 60.555 1.909 1
1 1343 . 19 1 1 A 111 111 TRP CB C 111 29.548 29.699 -0.151 1
1 1349 . 19 1 1 A 111 111 TRP N N 111 120.868 121.025 -0.157 1
1 1351 . 19 1 1 A 112 112 ILE H H 112 8.271 7.780 0.491 1
1 1352 . 19 1 1 A 112 112 ILE HA H 112 3.254 3.614 -0.360 1
1 1362 . 19 1 1 A 112 112 ILE C C 112 177.669 177.840 -0.171 1
1 1363 . 19 1 1 A 112 112 ILE CA C 112 67.040 64.988 2.052 1
1 1364 . 19 1 1 A 112 112 ILE CB C 112 37.856 37.583 0.273 1
1 1368 . 19 1 1 A 112 112 ILE N N 112 118.862 119.233 -0.371 1
1 1369 . 19 1 1 A 113 113 LYS H H 113 8.042 8.242 -0.200 1
1 1370 . 19 1 1 A 113 113 LYS HA H 113 3.991 3.973 0.018 1
1 1379 . 19 1 1 A 113 113 LYS C C 113 178.977 178.920 0.057 1
1 1380 . 19 1 1 A 113 113 LYS CA C 113 59.328 59.760 -0.432 1
1 1381 . 19 1 1 A 113 113 LYS CB C 113 32.345 32.137 0.208 1
1 1385 . 19 1 1 A 113 113 LYS N N 113 117.182 120.020 -2.838 1
1 1386 . 19 1 1 A 114 114 ALA H H 114 7.686 9.071 -1.385 1
1 1387 . 19 1 1 A 114 114 ALA HA H 114 4.058 4.050 0.008 1
1 1391 . 19 1 1 A 114 114 ALA C C 114 179.849 179.906 -0.057 1
1 1392 . 19 1 1 A 114 114 ALA CA C 114 55.146 55.151 -0.005 1
1 1393 . 19 1 1 A 114 114 ALA CB C 114 18.362 18.388 -0.026 1
1 1394 . 19 1 1 A 114 114 ALA N N 114 120.689 121.956 -1.267 1
1 1395 . 19 1 1 A 115 115 ILE H H 115 8.594 9.079 -0.485 1
1 1396 . 19 1 1 A 115 115 ILE HA H 115 3.534 3.654 -0.120 1
1 1406 . 19 1 1 A 115 115 ILE C C 115 178.432 178.224 0.208 1
1 1407 . 19 1 1 A 115 115 ILE CA C 115 66.016 65.251 0.765 1
1 1408 . 19 1 1 A 115 115 ILE CB C 115 38.390 37.750 0.640 1
1 1412 . 19 1 1 A 115 115 ILE N N 115 118.898 117.780 1.118 1
1 1413 . 19 1 1 A 116 116 GLN H H 116 8.732 8.408 0.324 1
1 1414 . 19 1 1 A 116 116 GLN HA H 116 3.851 4.409 -0.558 1
1 1421 . 19 1 1 A 116 116 GLN C C 116 179.655 178.201 1.454 1
1 1422 . 19 1 1 A 116 116 GLN CA C 116 59.575 58.821 0.754 1
1 1423 . 19 1 1 A 116 116 GLN CB C 116 28.222 28.631 -0.409 1
1 1425 . 19 1 1 A 116 116 GLN N N 116 119.877 119.128 0.749 1
1 1427 . 19 1 1 A 117 117 MET H H 117 8.279 8.834 -0.555 1
1 1428 . 19 1 1 A 117 117 MET HA H 117 4.155 4.014 0.141 1
1 1436 . 19 1 1 A 117 117 MET C C 117 179.123 178.058 1.065 1
1 1437 . 19 1 1 A 117 117 MET CA C 117 58.658 58.389 0.269 1
1 1438 . 19 1 1 A 117 117 MET CB C 117 31.934 32.627 -0.693 1
1 1441 . 19 1 1 A 117 117 MET N N 117 118.855 118.799 0.056 1
1 1442 . 19 1 1 A 118 118 ALA H H 118 8.266 7.631 0.635 1
1 1443 . 19 1 1 A 118 118 ALA HA H 118 4.240 4.062 0.178 1
1 1447 . 19 1 1 A 118 118 ALA C C 118 178.820 179.886 -1.066 1
1 1448 . 19 1 1 A 118 118 ALA CA C 118 54.604 55.198 -0.594 1
1 1449 . 19 1 1 A 118 118 ALA CB C 118 18.627 18.976 -0.349 1
1 1450 . 19 1 1 A 118 118 ALA N N 118 121.702 122.100 -0.398 1
1 1451 . 19 1 1 A 119 119 SER H H 119 8.073 8.902 -0.829 1
1 1452 . 19 1 1 A 119 119 SER HA H 119 4.027 4.284 -0.257 1
1 1455 . 19 1 1 A 119 119 SER C C 119 174.663 177.084 -2.421 1
1 1456 . 19 1 1 A 119 119 SER CA C 119 60.122 61.770 -1.648 1
1 1457 . 19 1 1 A 119 119 SER CB C 119 64.299 62.867 1.432 1
1 1458 . 19 1 1 A 119 119 SER N N 119 110.080 112.868 -2.788 1
1 1459 . 19 1 1 A 120 120 ARG H H 120 7.345 8.293 -0.948 1
1 1460 . 19 1 1 A 120 120 ARG HA H 120 4.383 4.167 0.216 1
1 1467 . 19 1 1 A 120 120 ARG C C 120 176.372 176.233 0.139 1
1 1468 . 19 1 1 A 120 120 ARG CA C 120 56.681 59.196 -2.515 1
1 1469 . 19 1 1 A 120 120 ARG CB C 120 30.248 30.513 -0.265 1
1 1472 . 19 1 1 A 120 120 ARG N N 120 120.244 120.365 -0.121 1
1 1473 . 19 1 1 A 121 121 THR H H 121 8.070 8.355 -0.285 1
1 1474 . 19 1 1 A 121 121 THR HA H 121 4.365 4.444 -0.079 1
1 1479 . 19 1 1 A 121 121 THR C C 121 175.281 174.497 0.784 1
1 1480 . 19 1 1 A 121 121 THR CA C 121 62.557 62.809 -0.252 1
1 1481 . 19 1 1 A 121 121 THR CB C 121 70.298 66.950 3.348 1
1 1483 . 19 1 1 A 121 121 THR N N 121 114.024 113.058 0.966 1
1 1484 . 19 1 1 A 122 122 GLY H H 122 8.520 8.091 0.429 1
1 1485 . 19 1 1 A 122 122 GLY HA2 H 122 4.005 3.897 0.108 1
1 1486 . 19 1 1 A 122 122 GLY HA3 H 122 4.005 3.897 0.108 1
1 1487 . 19 1 1 A 122 122 GLY C C 122 174.118 174.351 -0.233 1
1 1488 . 19 1 1 A 122 122 GLY CA C 122 45.351 46.823 -1.472 1
1 1489 . 19 1 1 A 122 122 GLY N N 122 111.123 114.567 -3.444 1
1 1490 . 19 1 1 A 123 123 LYS H H 123 8.309 7.646 0.663 1
1 1491 . 19 1 1 A 123 123 LYS HA H 123 4.364 4.198 0.166 1
1 1500 . 19 1 1 A 123 123 LYS C C 123 176.772 176.208 0.564 1
1 1501 . 19 1 1 A 123 123 LYS CA C 123 56.310 58.540 -2.230 1
1 1502 . 19 1 1 A 123 123 LYS CB C 123 33.167 33.034 0.133 1
1 1506 . 19 1 1 A 123 123 LYS N N 123 121.100 121.544 -0.444 1
1 1507 . 19 1 1 A 124 124 SER H H 124 8.453 8.217 0.236 1
1 1508 . 19 1 1 A 124 124 SER HA H 124 4.489 4.818 -0.329 1
1 1509 . 19 1 1 A 124 124 SER C C 124 174.518 173.814 0.704 1
1 1510 . 19 1 1 A 124 124 SER CA C 124 58.357 57.614 0.743 1
1 1511 . 19 1 1 A 124 124 SER CB C 124 64.052 64.249 -0.197 1
1 1512 . 19 1 1 A 124 124 SER N N 124 117.316 115.256 2.060 1
1 1513 . 19 1 1 A 125 125 GLY H H 125 8.278 8.503 -0.225 1
1 1514 . 19 1 1 A 125 125 GLY HA2 H 125 4.154 4.174 -0.020 1
1 1515 . 19 1 1 A 125 125 GLY HA3 H 125 4.102 4.174 -0.072 1
1 1516 . 19 1 1 A 125 125 GLY C C 125 171.827 173.432 -1.605 1
1 1517 . 19 1 1 A 125 125 GLY CA C 125 44.680 44.578 0.102 1
1 1518 . 19 1 1 A 125 125 GLY N N 125 110.670 113.139 -2.469 1
1 1519 . 19 1 1 A 126 126 PRO HA H 126 4.461 4.696 -0.235 1
1 1526 . 19 1 1 A 126 126 PRO C C 126 177.426 176.578 0.848 1
1 1527 . 19 1 1 A 126 126 PRO CA C 126 63.281 62.311 0.970 1
1 1528 . 19 1 1 A 126 126 PRO CB C 126 32.263 29.007 3.256 1
1 1531 . 19 1 1 A 127 127 SER H H 127 8.556 8.512 0.044 1
1 1532 . 19 1 1 A 127 127 SER HA H 127 4.489 4.498 -0.009 1
1 1535 . 19 1 1 A 127 127 SER C C 127 174.651 174.334 0.317 1
1 1536 . 19 1 1 A 127 127 SER CA C 127 58.410 57.617 0.793 1
1 1537 . 19 1 1 A 127 127 SER CB C 127 63.682 64.146 -0.464 1
1 1538 . 19 1 1 A 127 127 SER N N 127 116.423 116.000 0.423 1
1 1539 . 19 1 1 A 128 128 SER H H 128 8.313 8.494 -0.181 1
1 1540 . 19 1 1 A 128 128 SER HA H 128 4.489 5.112 -0.623 1
1 1543 . 19 1 1 A 128 128 SER C C 128 173.936 173.758 0.178 1
1 1544 . 19 1 1 A 128 128 SER CA C 128 58.393 57.357 1.036 1
1 1545 . 19 1 1 A 128 128 SER CB C 128 64.052 64.537 -0.485 1
1 1546 . 19 1 1 A 128 128 SER N N 128 117.750 119.477 -1.727 1
1 1 . 20 1 1 A 6 6 SER HA H 6 4.475 5.023 -0.548 1
1 4 . 20 1 1 A 6 6 SER C C 6 174.978 175.052 -0.074 1
1 5 . 20 1 1 A 6 6 SER CA C 6 58.657 57.231 1.426 1
1 6 . 20 1 1 A 6 6 SER CB C 6 63.682 65.322 -1.640 1
1 7 . 20 1 1 A 7 7 GLY H H 7 8.385 8.673 -0.288 1
1 8 . 20 1 1 A 7 7 GLY HA2 H 7 3.947 4.029 -0.082 1
1 9 . 20 1 1 A 7 7 GLY HA3 H 7 3.947 4.030 -0.083 1
1 10 . 20 1 1 A 7 7 GLY C C 7 173.900 174.211 -0.311 1
1 11 . 20 1 1 A 7 7 GLY CA C 7 45.280 46.003 -0.723 1
1 12 . 20 1 1 A 7 7 GLY N N 7 110.753 113.187 -2.434 1
1 13 . 20 1 1 A 8 8 VAL H H 8 7.896 7.672 0.224 1
1 14 . 20 1 1 A 8 8 VAL HA H 8 4.046 4.634 -0.588 1
1 22 . 20 1 1 A 8 8 VAL C C 8 175.948 175.184 0.764 1
1 23 . 20 1 1 A 8 8 VAL CA C 8 62.399 60.189 2.210 1
1 24 . 20 1 1 A 8 8 VAL CB C 8 32.904 35.499 -2.595 1
1 27 . 20 1 1 A 8 8 VAL N N 8 119.771 118.872 0.899 1
1 28 . 20 1 1 A 9 9 ILE H H 9 8.253 8.596 -0.343 1
1 29 . 20 1 1 A 9 9 ILE HA H 9 4.103 4.095 0.008 1
1 39 . 20 1 1 A 9 9 ILE C C 9 175.984 175.543 0.441 1
1 40 . 20 1 1 A 9 9 ILE CA C 9 60.657 62.269 -1.612 1
1 41 . 20 1 1 A 9 9 ILE CB C 9 38.349 38.206 0.143 1
1 45 . 20 1 1 A 9 9 ILE N N 9 125.791 125.690 0.101 1
1 46 . 20 1 1 A 10 10 LEU H H 10 8.374 8.641 -0.267 1
1 47 . 20 1 1 A 10 10 LEU HA H 10 4.379 4.965 -0.586 1
1 57 . 20 1 1 A 10 10 LEU C C 10 177.171 176.189 0.982 1
1 58 . 20 1 1 A 10 10 LEU CA C 10 54.598 53.719 0.879 1
1 59 . 20 1 1 A 10 10 LEU CB C 10 42.873 44.864 -1.991 1
1 63 . 20 1 1 A 10 10 LEU N N 10 127.929 127.289 0.640 1
1 64 . 20 1 1 A 11 11 LYS H H 11 8.414 8.766 -0.352 1
1 65 . 20 1 1 A 11 11 LYS HA H 11 4.214 4.418 -0.204 1
1 74 . 20 1 1 A 11 11 LYS C C 11 177.244 177.073 0.171 1
1 75 . 20 1 1 A 11 11 LYS CA C 11 57.051 56.182 0.869 1
1 76 . 20 1 1 A 11 11 LYS CB C 11 33.332 33.228 0.104 1
1 80 . 20 1 1 A 11 11 LYS N N 11 123.211 127.190 -3.979 1
1 81 . 20 1 1 A 12 12 GLU H H 12 8.629 8.729 -0.100 1
1 82 . 20 1 1 A 12 12 GLU HA H 12 3.745 4.480 -0.735 1
1 87 . 20 1 1 A 12 12 GLU C C 12 177.366 178.799 -1.433 1
1 88 . 20 1 1 A 12 12 GLU CA C 12 59.663 57.445 2.218 1
1 89 . 20 1 1 A 12 12 GLU CB C 12 29.672 30.586 -0.914 1
1 91 . 20 1 1 A 12 12 GLU N N 12 122.998 121.231 1.767 1
1 92 . 20 1 1 A 13 13 GLU H H 13 8.043 8.424 -0.381 1
1 93 . 20 1 1 A 13 13 GLU HA H 13 3.333 4.131 -0.798 1
1 98 . 20 1 1 A 13 13 GLU C C 13 175.451 176.834 -1.383 1
1 99 . 20 1 1 A 13 13 GLU CA C 13 57.634 58.234 -0.600 1
1 100 . 20 1 1 A 13 13 GLU CB C 13 28.567 27.899 0.668 1
1 102 . 20 1 1 A 13 13 GLU N N 13 113.498 118.790 -5.292 1
1 103 . 20 1 1 A 14 14 PHE H H 14 7.483 7.733 -0.250 1
1 104 . 20 1 1 A 14 14 PHE HA H 14 4.650 4.903 -0.253 1
1 112 . 20 1 1 A 14 14 PHE C C 14 175.657 176.298 -0.641 1
1 113 . 20 1 1 A 14 14 PHE CA C 14 56.187 57.014 -0.827 1
1 114 . 20 1 1 A 14 14 PHE CB C 14 39.665 38.776 0.889 1
1 120 . 20 1 1 A 14 14 PHE N N 14 115.879 118.299 -2.420 1
1 121 . 20 1 1 A 15 15 ARG H H 15 7.757 7.875 -0.118 1
1 122 . 20 1 1 A 15 15 ARG HA H 15 4.154 4.360 -0.206 1
1 129 . 20 1 1 A 15 15 ARG C C 15 177.353 177.351 0.002 1
1 130 . 20 1 1 A 15 15 ARG CA C 15 58.092 58.760 -0.668 1
1 131 . 20 1 1 A 15 15 ARG CB C 15 31.193 30.404 0.789 1
1 134 . 20 1 1 A 15 15 ARG N N 15 118.945 119.988 -1.043 1
1 135 . 20 1 1 A 16 16 GLY H H 16 8.812 7.897 0.915 1
1 136 . 20 1 1 A 16 16 GLY HA2 H 16 4.194 4.127 0.067 1
1 137 . 20 1 1 A 16 16 GLY HA3 H 16 3.824 4.151 -0.327 1
1 138 . 20 1 1 A 16 16 GLY C C 16 173.427 172.770 0.657 1
1 139 . 20 1 1 A 16 16 GLY CA C 16 45.157 44.509 0.648 1
1 140 . 20 1 1 A 16 16 GLY N N 16 109.133 108.565 0.568 1
1 141 . 20 1 1 A 17 17 VAL H H 17 8.308 8.381 -0.073 1
1 142 . 20 1 1 A 17 17 VAL HA H 17 4.060 4.775 -0.715 1
1 150 . 20 1 1 A 17 17 VAL C C 17 176.469 174.460 2.009 1
1 151 . 20 1 1 A 17 17 VAL CA C 17 62.098 59.342 2.756 1
1 152 . 20 1 1 A 17 17 VAL CB C 17 33.414 35.597 -2.183 1
1 155 . 20 1 1 A 17 17 VAL N N 17 120.815 119.291 1.524 1
1 156 . 20 1 1 A 18 18 ILE H H 18 8.547 8.937 -0.390 1
1 157 . 20 1 1 A 18 18 ILE HA H 18 4.186 4.602 -0.416 1
1 167 . 20 1 1 A 18 18 ILE C C 18 177.208 176.611 0.597 1
1 168 . 20 1 1 A 18 18 ILE CA C 18 63.175 61.196 1.979 1
1 169 . 20 1 1 A 18 18 ILE CB C 18 38.596 38.904 -0.308 1
1 173 . 20 1 1 A 18 18 ILE N N 18 125.006 124.215 0.791 1
1 174 . 20 1 1 A 19 19 ILE H H 19 9.127 8.775 0.352 1
1 175 . 20 1 1 A 19 19 ILE HA H 19 4.461 4.495 -0.034 1
1 185 . 20 1 1 A 19 19 ILE C C 19 176.081 175.956 0.125 1
1 186 . 20 1 1 A 19 19 ILE CA C 19 60.298 61.191 -0.893 1
1 187 . 20 1 1 A 19 19 ILE CB C 19 39.665 39.482 0.183 1
1 191 . 20 1 1 A 19 19 ILE N N 19 124.358 120.549 3.809 1
1 192 . 20 1 1 A 20 20 LYS H H 20 7.620 7.675 -0.055 1
1 193 . 20 1 1 A 20 20 LYS HA H 20 4.325 4.661 -0.336 1
1 202 . 20 1 1 A 20 20 LYS C C 20 172.760 174.296 -1.536 1
1 203 . 20 1 1 A 20 20 LYS CA C 20 57.298 55.588 1.710 1
1 204 . 20 1 1 A 20 20 LYS CB C 20 36.458 35.800 0.658 1
1 208 . 20 1 1 A 20 20 LYS N N 20 121.749 121.185 0.564 1
1 209 . 20 1 1 A 21 21 GLN H H 21 8.572 8.606 -0.034 1
1 210 . 20 1 1 A 21 21 GLN HA H 21 5.927 5.352 0.575 1
1 217 . 20 1 1 A 21 21 GLN C C 21 175.124 174.708 0.416 1
1 218 . 20 1 1 A 21 21 GLN CA C 21 54.227 54.657 -0.430 1
1 219 . 20 1 1 A 21 21 GLN CB C 21 33.369 32.701 0.668 1
1 221 . 20 1 1 A 21 21 GLN N N 21 121.653 123.690 -2.037 1
1 223 . 20 1 1 A 22 22 GLY H H 22 9.178 8.146 1.032 1
1 224 . 20 1 1 A 22 22 GLY HA2 H 22 4.904 4.296 0.608 1
1 225 . 20 1 1 A 22 22 GLY HA3 H 22 4.447 4.395 0.052 1
1 226 . 20 1 1 A 22 22 GLY C C 22 172.300 172.285 0.015 1
1 227 . 20 1 1 A 22 22 GLY CA C 22 45.650 44.869 0.781 1
1 228 . 20 1 1 A 22 22 GLY N N 22 108.544 108.289 0.255 1
1 229 . 20 1 1 A 23 23 CYS H H 23 9.262 8.326 0.936 1
1 230 . 20 1 1 A 23 23 CYS HA H 23 5.904 5.666 0.238 1
1 233 . 20 1 1 A 23 23 CYS C C 23 175.293 174.160 1.133 1
1 234 . 20 1 1 A 23 23 CYS CA C 23 59.222 57.520 1.702 1
1 235 . 20 1 1 A 23 23 CYS CB C 23 29.260 29.372 -0.112 1
1 236 . 20 1 1 A 23 23 CYS N N 23 118.575 119.240 -0.665 1
1 237 . 20 1 1 A 24 24 LEU H H 24 9.131 9.695 -0.564 1
1 238 . 20 1 1 A 24 24 LEU HA H 24 4.627 5.081 -0.454 1
1 248 . 20 1 1 A 24 24 LEU C C 24 175.354 175.433 -0.079 1
1 249 . 20 1 1 A 24 24 LEU CA C 24 53.963 53.692 0.271 1
1 250 . 20 1 1 A 24 24 LEU CB C 24 47.315 45.646 1.669 1
1 254 . 20 1 1 A 24 24 LEU N N 24 122.880 124.953 -2.073 1
1 255 . 20 1 1 A 25 25 LEU H H 25 7.968 8.914 -0.946 1
1 256 . 20 1 1 A 25 25 LEU HA H 25 5.056 5.467 -0.411 1
1 266 . 20 1 1 A 25 25 LEU C C 25 175.766 175.143 0.623 1
1 267 . 20 1 1 A 25 25 LEU CA C 25 54.810 54.270 0.540 1
1 268 . 20 1 1 A 25 25 LEU CB C 25 44.065 42.100 1.965 1
1 272 . 20 1 1 A 25 25 LEU N N 25 119.755 122.758 -3.003 1
1 273 . 20 1 1 A 26 26 LYS H H 26 9.307 9.047 0.260 1
1 274 . 20 1 1 A 26 26 LYS HA H 26 5.166 4.700 0.466 1
1 283 . 20 1 1 A 26 26 LYS C C 26 175.778 175.596 0.182 1
1 284 . 20 1 1 A 26 26 LYS CA C 26 54.687 55.747 -1.060 1
1 285 . 20 1 1 A 26 26 LYS CB C 26 37.033 33.208 3.825 1
1 289 . 20 1 1 A 26 26 LYS N N 26 122.635 125.983 -3.348 1
1 290 . 20 1 1 A 27 27 GLN H H 27 8.228 8.224 0.004 1
1 291 . 20 1 1 A 27 27 GLN HA H 27 3.839 4.142 -0.303 1
1 298 . 20 1 1 A 27 27 GLN C C 27 176.869 176.365 0.504 1
1 299 . 20 1 1 A 27 27 GLN CA C 27 55.922 56.356 -0.434 1
1 300 . 20 1 1 A 27 27 GLN CB C 27 29.589 29.044 0.545 1
1 302 . 20 1 1 A 27 27 GLN N N 27 132.145 127.646 4.499 1
1 304 . 20 1 1 A 28 28 GLY H H 28 8.434 8.242 0.192 1
1 305 . 20 1 1 A 28 28 GLY HA2 H 28 4.144 4.080 0.064 1
1 306 . 20 1 1 A 28 28 GLY HA3 H 28 3.999 4.121 -0.122 1
1 307 . 20 1 1 A 28 28 GLY CA C 28 45.457 44.481 0.976 1
1 308 . 20 1 1 A 28 28 GLY N N 28 114.691 109.616 5.075 1
1 309 . 20 1 1 A 29 29 HIS HA H 29 4.352 4.342 0.010 1
1 314 . 20 1 1 A 29 29 HIS CA C 29 58.505 58.271 0.234 1
1 315 . 20 1 1 A 29 29 HIS CB C 29 30.967 30.766 0.201 1
1 318 . 20 1 1 A 30 30 ARG HA H 30 4.114 4.126 -0.012 1
1 325 . 20 1 1 A 30 30 ARG CA C 30 56.429 58.583 -2.154 1
1 326 . 20 1 1 A 30 30 ARG CB C 30 29.591 30.658 -1.067 1
1 329 . 20 1 1 A 31 31 ARG HA H 31 3.774 4.512 -0.738 1
1 336 . 20 1 1 A 31 31 ARG C C 31 175.536 176.113 -0.577 1
1 337 . 20 1 1 A 31 31 ARG CA C 31 55.922 57.132 -1.210 1
1 338 . 20 1 1 A 31 31 ARG CB C 31 29.302 32.470 -3.168 1
1 341 . 20 1 1 A 32 32 LYS H H 32 8.011 7.990 0.021 1
1 342 . 20 1 1 A 32 32 LYS HA H 32 4.164 4.110 0.054 1
1 351 . 20 1 1 A 32 32 LYS C C 32 175.741 174.876 0.865 1
1 352 . 20 1 1 A 32 32 LYS CA C 32 56.239 58.182 -1.943 1
1 353 . 20 1 1 A 32 32 LYS CB C 32 32.016 31.042 0.974 1
1 357 . 20 1 1 A 32 32 LYS N N 32 117.463 118.182 -0.719 1
1 358 . 20 1 1 A 33 33 ASN H H 33 7.870 8.627 -0.757 1
1 359 . 20 1 1 A 33 33 ASN HA H 33 4.807 5.063 -0.256 1
1 364 . 20 1 1 A 33 33 ASN C C 33 173.681 174.976 -1.295 1
1 365 . 20 1 1 A 33 33 ASN CA C 33 52.551 51.999 0.552 1
1 366 . 20 1 1 A 33 33 ASN CB C 33 39.830 40.602 -0.772 1
1 367 . 20 1 1 A 33 33 ASN N N 33 117.522 118.655 -1.133 1
1 369 . 20 1 1 A 34 34 TRP H H 34 8.704 8.413 0.291 1
1 370 . 20 1 1 A 34 34 TRP HA H 34 4.807 4.643 0.164 1
1 379 . 20 1 1 A 34 34 TRP C C 34 176.129 176.741 -0.612 1
1 380 . 20 1 1 A 34 34 TRP CA C 34 56.540 58.748 -2.208 1
1 381 . 20 1 1 A 34 34 TRP CB C 34 31.399 30.270 1.129 1
1 387 . 20 1 1 A 34 34 TRP N N 34 121.620 123.576 -1.956 1
1 389 . 20 1 1 A 35 35 LYS H H 35 8.457 8.922 -0.465 1
1 390 . 20 1 1 A 35 35 LYS HA H 35 4.876 5.032 -0.156 1
1 399 . 20 1 1 A 35 35 LYS C C 35 176.081 174.967 1.114 1
1 400 . 20 1 1 A 35 35 LYS CA C 35 54.298 54.431 -0.133 1
1 401 . 20 1 1 A 35 35 LYS CB C 35 36.498 36.480 0.018 1
1 405 . 20 1 1 A 35 35 LYS N N 35 120.816 123.259 -2.443 1
1 406 . 20 1 1 A 36 36 VAL H H 36 8.974 8.541 0.433 1
1 407 . 20 1 1 A 36 36 VAL HA H 36 4.254 4.941 -0.687 1
1 415 . 20 1 1 A 36 36 VAL C C 36 176.808 175.004 1.804 1
1 416 . 20 1 1 A 36 36 VAL CA C 36 63.828 60.995 2.833 1
1 417 . 20 1 1 A 36 36 VAL CB C 36 31.687 33.677 -1.990 1
1 420 . 20 1 1 A 36 36 VAL N N 36 123.825 121.035 2.790 1
1 421 . 20 1 1 A 37 37 ARG H H 37 9.327 8.647 0.680 1
1 422 . 20 1 1 A 37 37 ARG HA H 37 4.930 4.785 0.145 1
1 427 . 20 1 1 A 37 37 ARG C C 37 173.815 174.575 -0.760 1
1 428 . 20 1 1 A 37 37 ARG CA C 37 54.351 55.011 -0.660 1
1 429 . 20 1 1 A 37 37 ARG CB C 37 34.709 34.346 0.363 1
1 432 . 20 1 1 A 37 37 ARG N N 37 128.926 126.206 2.720 1
1 433 . 20 1 1 A 38 38 LYS H H 38 8.714 9.187 -0.473 1
1 434 . 20 1 1 A 38 38 LYS HA H 38 4.959 4.872 0.087 1
1 443 . 20 1 1 A 38 38 LYS C C 38 175.075 175.611 -0.536 1
1 444 . 20 1 1 A 38 38 LYS CA C 38 55.869 56.423 -0.554 1
1 445 . 20 1 1 A 38 38 LYS CB C 38 34.072 33.791 0.281 1
1 449 . 20 1 1 A 38 38 LYS N N 38 121.669 123.854 -2.185 1
1 450 . 20 1 1 A 39 39 PHE H H 39 9.751 9.715 0.036 1
1 451 . 20 1 1 A 39 39 PHE HA H 39 5.591 5.299 0.292 1
1 459 . 20 1 1 A 39 39 PHE C C 39 175.414 174.994 0.420 1
1 460 . 20 1 1 A 39 39 PHE CA C 39 57.474 56.867 0.607 1
1 461 . 20 1 1 A 39 39 PHE CB C 39 42.667 42.009 0.658 1
1 467 . 20 1 1 A 39 39 PHE N N 39 127.216 124.382 2.834 1
1 468 . 20 1 1 A 40 40 ILE H H 40 9.246 10.405 -1.159 1
1 469 . 20 1 1 A 40 40 ILE HA H 40 4.864 5.253 -0.389 1
1 479 . 20 1 1 A 40 40 ILE C C 40 174.724 174.170 0.554 1
1 480 . 20 1 1 A 40 40 ILE CA C 40 62.134 60.180 1.954 1
1 481 . 20 1 1 A 40 40 ILE CB C 40 41.022 40.977 0.045 1
1 485 . 20 1 1 A 40 40 ILE N N 40 119.337 123.581 -4.244 1
1 486 . 20 1 1 A 41 41 LEU H H 41 9.549 9.259 0.290 1
1 487 . 20 1 1 A 41 41 LEU HA H 41 5.485 5.400 0.085 1
1 497 . 20 1 1 A 41 41 LEU C C 41 174.457 175.374 -0.917 1
1 498 . 20 1 1 A 41 41 LEU CA C 41 54.004 53.769 0.235 1
1 499 . 20 1 1 A 41 41 LEU CB C 41 45.299 45.407 -0.108 1
1 503 . 20 1 1 A 41 41 LEU N N 41 132.451 130.945 1.506 1
1 504 . 20 1 1 A 42 42 ARG H H 42 9.383 9.347 0.036 1
1 505 . 20 1 1 A 42 42 ARG HA H 42 5.492 5.324 0.168 1
1 513 . 20 1 1 A 42 42 ARG C C 42 174.893 175.319 -0.426 1
1 514 . 20 1 1 A 42 42 ARG CA C 42 54.421 54.715 -0.294 1
1 515 . 20 1 1 A 42 42 ARG CB C 42 35.470 33.699 1.771 1
1 518 . 20 1 1 A 42 42 ARG N N 42 128.467 124.954 3.513 1
1 520 . 20 1 1 A 43 43 GLU H H 43 8.259 8.646 -0.387 1
1 521 . 20 1 1 A 43 43 GLU HA H 43 4.366 4.791 -0.425 1
1 526 . 20 1 1 A 43 43 GLU C C 43 174.893 175.708 -0.815 1
1 527 . 20 1 1 A 43 43 GLU CA C 43 54.898 55.792 -0.894 1
1 528 . 20 1 1 A 43 43 GLU CB C 43 33.102 31.005 2.097 1
1 530 . 20 1 1 A 43 43 GLU N N 43 115.434 121.122 -5.688 1
1 531 . 20 1 1 A 44 44 ASP H H 44 7.870 8.851 -0.981 1
1 532 . 20 1 1 A 44 44 ASP HA H 44 4.433 4.151 0.282 1
1 535 . 20 1 1 A 44 44 ASP C C 44 172.991 174.500 -1.509 1
1 536 . 20 1 1 A 44 44 ASP CA C 44 53.892 54.754 -0.862 1
1 537 . 20 1 1 A 44 44 ASP CB C 44 41.146 39.505 1.641 1
1 538 . 20 1 1 A 44 44 ASP N N 44 114.444 118.003 -3.559 1
1 539 . 20 1 1 A 45 45 PRO HA H 45 4.710 4.600 0.110 1
1 546 . 20 1 1 A 45 45 PRO C C 45 176.747 175.464 1.283 1
1 547 . 20 1 1 A 45 45 PRO CA C 45 63.246 62.651 0.595 1
1 548 . 20 1 1 A 45 45 PRO CB C 45 34.977 32.747 2.230 1
1 551 . 20 1 1 A 46 46 ALA H H 46 8.356 8.269 0.087 1
1 552 . 20 1 1 A 46 46 ALA HA H 46 5.049 4.919 0.130 1
1 556 . 20 1 1 A 46 46 ALA C C 46 175.499 176.304 -0.805 1
1 557 . 20 1 1 A 46 46 ALA CA C 46 51.545 50.701 0.844 1
1 558 . 20 1 1 A 46 46 ALA CB C 46 19.655 19.597 0.058 1
1 559 . 20 1 1 A 46 46 ALA N N 46 122.969 123.501 -0.532 1
1 560 . 20 1 1 A 47 47 TYR H H 47 8.047 9.370 -1.323 1
1 561 . 20 1 1 A 47 47 TYR HA H 47 5.097 5.119 -0.022 1
1 568 . 20 1 1 A 47 47 TYR C C 47 173.730 174.501 -0.771 1
1 569 . 20 1 1 A 47 47 TYR CA C 47 57.563 56.532 1.031 1
1 570 . 20 1 1 A 47 47 TYR CB C 47 45.711 43.116 2.595 1
1 575 . 20 1 1 A 47 47 TYR N N 47 126.550 120.716 5.834 1
1 576 . 20 1 1 A 48 48 LEU H H 48 8.776 8.495 0.281 1
1 577 . 20 1 1 A 48 48 LEU HA H 48 5.578 5.441 0.137 1
1 587 . 20 1 1 A 48 48 LEU C C 48 175.039 174.892 0.147 1
1 588 . 20 1 1 A 48 48 LEU CA C 48 53.134 54.012 -0.878 1
1 589 . 20 1 1 A 48 48 LEU CB C 48 46.369 45.188 1.181 1
1 593 . 20 1 1 A 48 48 LEU N N 48 120.864 123.003 -2.139 1
1 594 . 20 1 1 A 49 49 HIS H H 49 8.974 9.361 -0.387 1
1 595 . 20 1 1 A 49 49 HIS HA H 49 5.181 5.167 0.014 1
1 600 . 20 1 1 A 49 49 HIS C C 49 174.712 174.422 0.290 1
1 601 . 20 1 1 A 49 49 HIS CA C 49 57.916 54.327 3.589 1
1 602 . 20 1 1 A 49 49 HIS CB C 49 35.347 31.927 3.420 1
1 605 . 20 1 1 A 49 49 HIS N N 49 124.417 126.308 -1.891 1
1 606 . 20 1 1 A 50 50 TYR H H 50 7.348 7.750 -0.402 1
1 607 . 20 1 1 A 50 50 TYR HA H 50 5.909 5.830 0.079 1
1 614 . 20 1 1 A 50 50 TYR C C 50 174.239 172.899 1.340 1
1 615 . 20 1 1 A 50 50 TYR CA C 50 53.610 54.889 -1.279 1
1 616 . 20 1 1 A 50 50 TYR CB C 50 40.077 41.421 -1.344 1
1 621 . 20 1 1 A 50 50 TYR N N 50 114.323 118.634 -4.311 1
1 622 . 20 1 1 A 51 51 TYR H H 51 9.230 9.133 0.097 1
1 623 . 20 1 1 A 51 51 TYR HA H 51 4.555 4.979 -0.424 1
1 630 . 20 1 1 A 51 51 TYR C C 51 175.572 174.350 1.222 1
1 631 . 20 1 1 A 51 51 TYR CA C 51 57.175 56.522 0.653 1
1 632 . 20 1 1 A 51 51 TYR CB C 51 42.709 43.216 -0.507 1
1 637 . 20 1 1 A 51 51 TYR N N 51 117.695 118.969 -1.274 1
1 638 . 20 1 1 A 52 52 ASP H H 52 9.390 8.820 0.570 1
1 639 . 20 1 1 A 52 52 ASP HA H 52 4.937 4.876 0.061 1
1 642 . 20 1 1 A 52 52 ASP CA C 52 52.057 52.107 -0.050 1
1 643 . 20 1 1 A 52 52 ASP CB C 52 42.197 42.154 0.043 1
1 644 . 20 1 1 A 52 52 ASP N N 52 123.964 122.918 1.046 1
1 645 . 20 1 1 A 53 53 PRO HA H 53 4.274 4.411 -0.137 1
1 652 . 20 1 1 A 53 53 PRO C C 53 176.360 178.363 -2.003 1
1 653 . 20 1 1 A 53 53 PRO CA C 53 64.728 65.000 -0.272 1
1 654 . 20 1 1 A 53 53 PRO CB C 53 32.016 32.079 -0.063 1
1 657 . 20 1 1 A 54 54 ALA H H 54 8.384 8.349 0.035 1
1 658 . 20 1 1 A 54 54 ALA HA H 54 4.492 4.134 0.358 1
1 662 . 20 1 1 A 54 54 ALA C C 54 177.620 178.101 -0.481 1
1 663 . 20 1 1 A 54 54 ALA CA C 54 52.022 54.078 -2.056 1
1 664 . 20 1 1 A 54 54 ALA CB C 54 19.202 19.600 -0.398 1
1 665 . 20 1 1 A 54 54 ALA N N 54 120.140 119.266 0.874 1
1 666 . 20 1 1 A 55 55 GLY H H 55 7.710 8.145 -0.435 1
1 667 . 20 1 1 A 55 55 GLY HA2 H 55 4.194 4.018 0.176 1
1 668 . 20 1 1 A 55 55 GLY HA3 H 55 3.833 4.020 -0.187 1
1 669 . 20 1 1 A 55 55 GLY C C 55 173.524 171.991 1.533 1
1 670 . 20 1 1 A 55 55 GLY CA C 55 45.421 45.456 -0.035 1
1 671 . 20 1 1 A 55 55 GLY N N 55 107.828 102.733 5.095 1
1 672 . 20 1 1 A 56 56 ALA H H 56 8.339 8.456 -0.117 1
1 673 . 20 1 1 A 56 56 ALA HA H 56 4.378 4.664 -0.286 1
1 677 . 20 1 1 A 56 56 ALA C C 56 177.741 176.162 1.579 1
1 678 . 20 1 1 A 56 56 ALA CA C 56 52.410 51.228 1.182 1
1 679 . 20 1 1 A 56 56 ALA CB C 56 19.843 21.353 -1.510 1
1 680 . 20 1 1 A 56 56 ALA N N 56 125.269 122.977 2.292 1
1 681 . 20 1 1 A 57 57 GLU H H 57 8.567 8.612 -0.045 1
1 682 . 20 1 1 A 57 57 GLU HA H 57 4.160 4.576 -0.416 1
1 687 . 20 1 1 A 57 57 GLU C C 57 176.335 175.799 0.536 1
1 688 . 20 1 1 A 57 57 GLU CA C 57 57.616 57.381 0.235 1
1 689 . 20 1 1 A 57 57 GLU CB C 57 30.083 32.042 -1.959 1
1 691 . 20 1 1 A 57 57 GLU N N 57 119.341 115.743 3.598 1
1 692 . 20 1 1 A 58 58 ASP H H 58 7.718 7.902 -0.184 1
1 693 . 20 1 1 A 58 58 ASP HA H 58 5.010 4.911 0.099 1
1 696 . 20 1 1 A 58 58 ASP C C 58 173.209 174.714 -1.505 1
1 697 . 20 1 1 A 58 58 ASP CA C 58 52.128 52.056 0.072 1
1 698 . 20 1 1 A 58 58 ASP CB C 58 40.981 41.402 -0.421 1
1 699 . 20 1 1 A 58 58 ASP N N 58 118.499 116.715 1.784 1
1 700 . 20 1 1 A 59 59 PRO HA H 59 3.493 4.105 -0.612 1
1 707 . 20 1 1 A 59 59 PRO C C 59 177.111 177.458 -0.347 1
1 708 . 20 1 1 A 59 59 PRO CA C 59 63.069 62.135 0.934 1
1 709 . 20 1 1 A 59 59 PRO CB C 59 31.229 30.979 0.250 1
1 712 . 20 1 1 A 60 60 LEU H H 60 8.770 8.225 0.545 1
1 713 . 20 1 1 A 60 60 LEU HA H 60 4.114 3.806 0.308 1
1 723 . 20 1 1 A 60 60 LEU C C 60 177.268 176.576 0.692 1
1 724 . 20 1 1 A 60 60 LEU CA C 60 55.181 57.800 -2.619 1
1 725 . 20 1 1 A 60 60 LEU CB C 60 42.750 41.799 0.951 1
1 729 . 20 1 1 A 60 60 LEU N N 60 121.907 122.998 -1.091 1
1 730 . 20 1 1 A 61 61 GLY H H 61 6.472 6.072 0.400 1
1 731 . 20 1 1 A 61 61 GLY HA2 H 61 3.798 3.772 0.026 1
1 732 . 20 1 1 A 61 61 GLY HA3 H 61 3.382 3.872 -0.490 1
1 733 . 20 1 1 A 61 61 GLY C C 61 169.367 170.545 -1.178 1
1 734 . 20 1 1 A 61 61 GLY CA C 61 45.033 45.433 -0.400 1
1 735 . 20 1 1 A 61 61 GLY N N 61 103.740 102.528 1.212 1
1 736 . 20 1 1 A 62 62 ALA H H 62 8.024 8.474 -0.450 1
1 737 . 20 1 1 A 62 62 ALA HA H 62 4.644 5.498 -0.854 1
1 741 . 20 1 1 A 62 62 ALA C C 62 176.226 175.343 0.883 1
1 742 . 20 1 1 A 62 62 ALA CA C 62 50.839 51.170 -0.331 1
1 743 . 20 1 1 A 62 62 ALA CB C 62 23.914 22.702 1.212 1
1 744 . 20 1 1 A 62 62 ALA N N 62 120.249 121.676 -1.427 1
1 745 . 20 1 1 A 63 63 ILE H H 63 8.810 8.686 0.124 1
1 746 . 20 1 1 A 63 63 ILE HA H 63 4.119 4.788 -0.669 1
1 756 . 20 1 1 A 63 63 ILE C C 63 174.724 175.761 -1.037 1
1 757 . 20 1 1 A 63 63 ILE CA C 63 60.757 60.638 0.119 1
1 758 . 20 1 1 A 63 63 ILE CB C 63 40.319 40.178 0.141 1
1 762 . 20 1 1 A 63 63 ILE N N 63 122.110 119.632 2.478 1
1 763 . 20 1 1 A 64 64 HIS H H 64 9.073 9.140 -0.067 1
1 764 . 20 1 1 A 64 64 HIS HA H 64 3.948 4.521 -0.573 1
1 769 . 20 1 1 A 64 64 HIS C C 64 176.529 175.385 1.144 1
1 770 . 20 1 1 A 64 64 HIS CA C 64 54.951 57.764 -2.813 1
1 771 . 20 1 1 A 64 64 HIS CB C 64 30.494 30.683 -0.189 1
1 774 . 20 1 1 A 64 64 HIS N N 64 129.092 128.060 1.032 1
1 775 . 20 1 1 A 65 65 LEU H H 65 7.770 7.737 0.033 1
1 776 . 20 1 1 A 65 65 LEU HA H 65 4.074 4.454 -0.380 1
1 786 . 20 1 1 A 65 65 LEU C C 65 176.808 177.056 -0.248 1
1 787 . 20 1 1 A 65 65 LEU CA C 65 54.951 54.437 0.514 1
1 788 . 20 1 1 A 65 65 LEU CB C 65 42.667 42.857 -0.190 1
1 792 . 20 1 1 A 65 65 LEU N N 65 124.760 127.730 -2.970 1
1 793 . 20 1 1 A 66 66 ARG H H 66 6.515 6.952 -0.437 1
1 794 . 20 1 1 A 66 66 ARG HA H 66 4.085 3.752 0.333 1
1 801 . 20 1 1 A 66 66 ARG C C 66 178.638 177.477 1.161 1
1 802 . 20 1 1 A 66 66 ARG CA C 66 58.092 59.193 -1.101 1
1 803 . 20 1 1 A 66 66 ARG CB C 66 29.525 29.756 -0.231 1
1 806 . 20 1 1 A 66 66 ARG N N 66 120.462 120.956 -0.494 1
1 807 . 20 1 1 A 67 67 GLY H H 67 9.300 7.685 1.615 1
1 808 . 20 1 1 A 67 67 GLY HA2 H 67 4.045 3.975 0.070 1
1 809 . 20 1 1 A 67 67 GLY HA3 H 67 3.826 3.977 -0.151 1
1 810 . 20 1 1 A 67 67 GLY C C 67 173.996 173.904 0.092 1
1 811 . 20 1 1 A 67 67 GLY CA C 67 46.162 45.484 0.678 1
1 812 . 20 1 1 A 67 67 GLY N N 67 118.040 106.577 11.463 1
1 813 . 20 1 1 A 68 68 CYS H H 68 7.789 7.551 0.238 1
1 814 . 20 1 1 A 68 68 CYS HA H 68 4.779 4.367 0.412 1
1 817 . 20 1 1 A 68 68 CYS C C 68 173.148 174.278 -1.130 1
1 818 . 20 1 1 A 68 68 CYS CA C 68 57.545 59.203 -1.658 1
1 819 . 20 1 1 A 68 68 CYS CB C 68 28.644 28.752 -0.108 1
1 820 . 20 1 1 A 68 68 CYS N N 68 116.032 118.688 -2.656 1
1 821 . 20 1 1 A 69 69 VAL H H 69 8.665 9.286 -0.621 1
1 822 . 20 1 1 A 69 69 VAL HA H 69 4.364 4.804 -0.440 1
1 830 . 20 1 1 A 69 69 VAL C C 69 174.154 174.841 -0.687 1
1 831 . 20 1 1 A 69 69 VAL CA C 69 61.464 60.625 0.839 1
1 832 . 20 1 1 A 69 69 VAL CB C 69 35.041 35.553 -0.512 1
1 835 . 20 1 1 A 69 69 VAL N N 69 120.327 121.282 -0.955 1
1 836 . 20 1 1 A 70 70 VAL H H 70 8.656 8.665 -0.009 1
1 837 . 20 1 1 A 70 70 VAL HA H 70 5.543 5.080 0.463 1
1 845 . 20 1 1 A 70 70 VAL C C 70 174.105 175.315 -1.210 1
1 846 . 20 1 1 A 70 70 VAL CA C 70 59.028 61.105 -2.077 1
1 847 . 20 1 1 A 70 70 VAL CB C 70 34.237 33.777 0.460 1
1 850 . 20 1 1 A 70 70 VAL N N 70 124.719 125.972 -1.253 1
1 851 . 20 1 1 A 71 71 THR H H 71 8.883 8.455 0.428 1
1 852 . 20 1 1 A 71 71 THR HA H 71 4.724 4.816 -0.092 1
1 857 . 20 1 1 A 71 71 THR C C 71 173.087 172.275 0.812 1
1 858 . 20 1 1 A 71 71 THR CA C 71 59.875 60.693 -0.818 1
1 859 . 20 1 1 A 71 71 THR CB C 71 71.290 70.169 1.121 1
1 861 . 20 1 1 A 71 71 THR N N 71 120.107 120.217 -0.110 1
1 862 . 20 1 1 A 72 72 SER H H 72 8.706 8.812 -0.106 1
1 863 . 20 1 1 A 72 72 SER HA H 72 4.455 5.445 -0.990 1
1 866 . 20 1 1 A 72 72 SER C C 72 174.082 174.146 -0.064 1
1 867 . 20 1 1 A 72 72 SER CA C 72 59.204 57.194 2.010 1
1 868 . 20 1 1 A 72 72 SER CB C 72 63.476 65.779 -2.303 1
1 869 . 20 1 1 A 72 72 SER N N 72 120.128 119.064 1.064 1
1 870 . 20 1 1 A 73 73 VAL H H 73 7.825 8.397 -0.572 1
1 871 . 20 1 1 A 73 73 VAL HA H 73 4.302 4.566 -0.264 1
1 879 . 20 1 1 A 73 73 VAL C C 73 175.160 176.518 -1.358 1
1 880 . 20 1 1 A 73 73 VAL CA C 73 62.010 60.837 1.173 1
1 881 . 20 1 1 A 73 73 VAL CB C 73 33.579 34.032 -0.453 1
1 884 . 20 1 1 A 73 73 VAL N N 73 125.377 121.368 4.009 1
1 885 . 20 1 1 A 74 74 GLU H H 74 8.706 8.356 0.350 1
1 886 . 20 1 1 A 74 74 GLU HA H 74 4.544 4.472 0.072 1
1 891 . 20 1 1 A 74 74 GLU C C 74 176.420 177.025 -0.605 1
1 892 . 20 1 1 A 74 74 GLU CA C 74 55.622 57.202 -1.580 1
1 893 . 20 1 1 A 74 74 GLU CB C 74 30.741 31.487 -0.746 1
1 895 . 20 1 1 A 74 74 GLU N N 74 126.564 120.357 6.207 1
1 896 . 20 1 1 A 75 75 SER H H 75 8.639 8.166 0.473 1
1 897 . 20 1 1 A 75 75 SER HA H 75 4.447 4.158 0.289 1
1 900 . 20 1 1 A 75 75 SER C C 75 174.299 174.328 -0.029 1
1 901 . 20 1 1 A 75 75 SER CA C 75 58.339 58.961 -0.622 1
1 902 . 20 1 1 A 75 75 SER CB C 75 64.170 60.809 3.361 1
1 903 . 20 1 1 A 75 75 SER N N 75 117.961 116.036 1.925 1
1 904 . 20 1 1 A 76 76 ASN H H 76 8.672 7.943 0.729 1
1 905 . 20 1 1 A 76 76 ASN HA H 76 4.795 4.748 0.047 1
1 910 . 20 1 1 A 76 76 ASN C C 76 175.584 175.031 0.553 1
1 911 . 20 1 1 A 76 76 ASN CA C 76 53.292 53.880 -0.588 1
1 912 . 20 1 1 A 76 76 ASN CB C 76 39.089 39.017 0.072 1
1 913 . 20 1 1 A 76 76 ASN N N 76 121.138 120.798 0.340 1
1 915 . 20 1 1 A 78 78 ASN HA H 78 4.635 4.832 -0.197 1
1 920 . 20 1 1 A 78 78 ASN C C 78 175.681 175.514 0.167 1
1 921 . 20 1 1 A 78 78 ASN CA C 78 53.610 53.333 0.277 1
1 922 . 20 1 1 A 78 78 ASN CB C 78 38.496 39.203 -0.707 1
1 924 . 20 1 1 A 79 79 GLY H H 79 8.356 8.788 -0.432 1
1 925 . 20 1 1 A 79 79 GLY HA2 H 79 3.821 3.862 -0.041 1
1 926 . 20 1 1 A 79 79 GLY HA3 H 79 4.011 3.863 0.148 1
1 927 . 20 1 1 A 79 79 GLY C C 79 174.154 173.501 0.653 1
1 928 . 20 1 1 A 79 79 GLY CA C 79 45.563 46.799 -1.236 1
1 929 . 20 1 1 A 79 79 GLY N N 79 108.284 115.245 -6.961 1
1 930 . 20 1 1 A 80 80 ARG H H 80 7.919 8.645 -0.726 1
1 931 . 20 1 1 A 80 80 ARG HA H 80 4.344 4.669 -0.325 1
1 938 . 20 1 1 A 80 80 ARG C C 80 176.117 175.240 0.877 1
1 939 . 20 1 1 A 80 80 ARG CA C 80 55.905 54.963 0.942 1
1 940 . 20 1 1 A 80 80 ARG CB C 80 30.782 31.047 -0.265 1
1 943 . 20 1 1 A 80 80 ARG N N 80 120.470 125.477 -5.007 1
1 944 . 20 1 1 A 81 81 LYS H H 81 8.427 8.772 -0.345 1
1 945 . 20 1 1 A 81 81 LYS HA H 81 4.350 4.923 -0.573 1
1 954 . 20 1 1 A 81 81 LYS C C 81 176.808 174.296 2.512 1
1 955 . 20 1 1 A 81 81 LYS CA C 81 56.416 54.436 1.980 1
1 956 . 20 1 1 A 81 81 LYS CB C 81 32.797 35.797 -3.000 1
1 960 . 20 1 1 A 81 81 LYS N N 81 122.963 126.187 -3.224 1
1 961 . 20 1 1 A 82 82 SER H H 82 8.440 8.790 -0.350 1
1 962 . 20 1 1 A 82 82 SER HA H 82 4.380 5.138 -0.758 1
1 965 . 20 1 1 A 82 82 SER C C 82 174.833 173.702 1.131 1
1 966 . 20 1 1 A 82 82 SER CA C 82 58.763 56.687 2.076 1
1 967 . 20 1 1 A 82 82 SER CB C 82 63.723 64.557 -0.834 1
1 968 . 20 1 1 A 82 82 SER N N 82 118.053 118.422 -0.369 1
1 969 . 20 1 1 A 83 83 GLU H H 83 8.648 8.874 -0.226 1
1 970 . 20 1 1 A 83 83 GLU HA H 83 4.233 4.562 -0.329 1
1 975 . 20 1 1 A 83 83 GLU C C 83 176.311 174.713 1.598 1
1 976 . 20 1 1 A 83 83 GLU CA C 83 57.104 58.059 -0.955 1
1 977 . 20 1 1 A 83 83 GLU CB C 83 29.795 32.081 -2.286 1
1 979 . 20 1 1 A 83 83 GLU N N 83 121.793 127.984 -6.191 1
1 980 . 20 1 1 A 84 84 GLU H H 84 8.088 7.695 0.393 1
1 981 . 20 1 1 A 84 84 GLU HA H 84 4.161 4.544 -0.383 1
1 986 . 20 1 1 A 84 84 GLU C C 84 175.523 175.662 -0.139 1
1 987 . 20 1 1 A 84 84 GLU CA C 84 56.275 55.140 1.135 1
1 988 . 20 1 1 A 84 84 GLU CB C 84 30.165 32.929 -2.764 1
1 990 . 20 1 1 A 84 84 GLU N N 84 119.385 117.295 2.090 1
1 991 . 20 1 1 A 85 85 GLU H H 85 7.907 8.433 -0.526 1
1 992 . 20 1 1 A 85 85 GLU HA H 85 4.350 4.400 -0.050 1
1 997 . 20 1 1 A 85 85 GLU C C 85 175.002 175.797 -0.795 1
1 998 . 20 1 1 A 85 85 GLU CA C 85 55.569 55.944 -0.375 1
1 999 . 20 1 1 A 85 85 GLU CB C 85 32.098 30.963 1.135 1
1 1001 . 20 1 1 A 85 85 GLU N N 85 120.414 123.842 -3.428 1
1 1002 . 20 1 1 A 86 86 ASN H H 86 8.569 8.439 0.130 1
1 1003 . 20 1 1 A 86 86 ASN HA H 86 4.225 5.099 -0.874 1
1 1008 . 20 1 1 A 86 86 ASN C C 86 175.147 174.455 0.692 1
1 1009 . 20 1 1 A 86 86 ASN CA C 86 54.068 52.771 1.297 1
1 1010 . 20 1 1 A 86 86 ASN CB C 86 38.185 39.249 -1.064 1
1 1011 . 20 1 1 A 86 86 ASN N N 86 114.602 118.496 -3.894 1
1 1013 . 20 1 1 A 87 87 LEU H H 87 8.483 8.969 -0.486 1
1 1014 . 20 1 1 A 87 87 LEU HA H 87 5.186 5.557 -0.371 1
1 1024 . 20 1 1 A 87 87 LEU C C 87 178.480 175.690 2.790 1
1 1025 . 20 1 1 A 87 87 LEU CA C 87 55.128 53.042 2.086 1
1 1026 . 20 1 1 A 87 87 LEU CB C 87 44.559 46.038 -1.479 1
1 1030 . 20 1 1 A 87 87 LEU N N 87 121.334 123.718 -2.384 1
1 1031 . 20 1 1 A 88 88 PHE H H 88 9.512 8.168 1.344 1
1 1032 . 20 1 1 A 88 88 PHE HA H 88 5.156 5.126 0.030 1
1 1040 . 20 1 1 A 88 88 PHE C C 88 170.288 172.173 -1.885 1
1 1041 . 20 1 1 A 88 88 PHE CA C 88 56.787 55.873 0.914 1
1 1042 . 20 1 1 A 88 88 PHE CB C 88 41.763 41.923 -0.160 1
1 1048 . 20 1 1 A 88 88 PHE N N 88 119.324 116.001 3.323 1
1 1049 . 20 1 1 A 89 89 GLU H H 89 9.028 8.978 0.050 1
1 1050 . 20 1 1 A 89 89 GLU HA H 89 5.293 5.085 0.208 1
1 1055 . 20 1 1 A 89 89 GLU C C 89 175.245 175.085 0.160 1
1 1056 . 20 1 1 A 89 89 GLU CA C 89 53.433 55.506 -2.073 1
1 1057 . 20 1 1 A 89 89 GLU CB C 89 34.566 31.702 2.864 1
1 1059 . 20 1 1 A 89 89 GLU N N 89 121.829 120.743 1.086 1
1 1060 . 20 1 1 A 90 90 ILE H H 90 8.655 8.497 0.158 1
1 1061 . 20 1 1 A 90 90 ILE HA H 90 4.793 4.691 0.102 1
1 1071 . 20 1 1 A 90 90 ILE C C 90 174.808 175.161 -0.353 1
1 1072 . 20 1 1 A 90 90 ILE CA C 90 59.857 60.279 -0.422 1
1 1073 . 20 1 1 A 90 90 ILE CB C 90 41.886 39.759 2.127 1
1 1077 . 20 1 1 A 90 90 ILE N N 90 123.446 126.327 -2.881 1
1 1078 . 20 1 1 A 91 91 ILE H H 91 9.199 8.681 0.518 1
1 1079 . 20 1 1 A 91 91 ILE HA H 91 4.724 4.609 0.115 1
1 1089 . 20 1 1 A 91 91 ILE C C 91 177.898 176.147 1.751 1
1 1090 . 20 1 1 A 91 91 ILE CA C 91 60.211 60.894 -0.683 1
1 1091 . 20 1 1 A 91 91 ILE CB C 91 39.043 37.707 1.336 1
1 1095 . 20 1 1 A 91 91 ILE N N 91 126.827 128.865 -2.038 1
1 1096 . 20 1 1 A 92 92 THR H H 92 9.086 7.939 1.147 1
1 1097 . 20 1 1 A 92 92 THR HA H 92 4.314 4.799 -0.485 1
1 1102 . 20 1 1 A 92 92 THR C C 92 176.857 175.591 1.266 1
1 1103 . 20 1 1 A 92 92 THR CA C 92 61.693 59.949 1.744 1
1 1104 . 20 1 1 A 92 92 THR CB C 92 70.920 71.680 -0.760 1
1 1106 . 20 1 1 A 92 92 THR N N 92 117.131 116.937 0.194 1
1 1107 . 20 1 1 A 93 93 ALA H H 93 9.192 8.933 0.259 1
1 1108 . 20 1 1 A 93 93 ALA HA H 93 4.101 4.144 -0.043 1
1 1112 . 20 1 1 A 93 93 ALA C C 93 178.008 177.512 0.496 1
1 1113 . 20 1 1 A 93 93 ALA CA C 93 54.634 54.085 0.549 1
1 1114 . 20 1 1 A 93 93 ALA CB C 93 18.198 18.572 -0.374 1
1 1115 . 20 1 1 A 93 93 ALA N N 93 123.540 123.941 -0.401 1
1 1116 . 20 1 1 A 94 94 ASP H H 94 7.979 7.391 0.588 1
1 1117 . 20 1 1 A 94 94 ASP HA H 94 4.724 4.716 0.008 1
1 1120 . 20 1 1 A 94 94 ASP C C 94 174.324 175.455 -1.131 1
1 1121 . 20 1 1 A 94 94 ASP CA C 94 53.098 53.779 -0.681 1
1 1122 . 20 1 1 A 94 94 ASP CB C 94 39.336 41.217 -1.881 1
1 1123 . 20 1 1 A 94 94 ASP N N 94 113.209 116.911 -3.702 1
1 1124 . 20 1 1 A 95 95 GLU H H 95 8.152 8.371 -0.219 1
1 1125 . 20 1 1 A 95 95 GLU HA H 95 3.430 3.790 -0.360 1
1 1130 . 20 1 1 A 95 95 GLU C C 95 174.578 175.522 -0.944 1
1 1131 . 20 1 1 A 95 95 GLU CA C 95 57.687 57.848 -0.161 1
1 1132 . 20 1 1 A 95 95 GLU CB C 95 26.300 27.455 -1.155 1
1 1134 . 20 1 1 A 95 95 GLU N N 95 114.010 115.150 -1.140 1
1 1135 . 20 1 1 A 96 96 VAL H H 96 7.595 7.278 0.317 1
1 1136 . 20 1 1 A 96 96 VAL HA H 96 4.063 3.886 0.177 1
1 1144 . 20 1 1 A 96 96 VAL C C 96 175.293 174.966 0.327 1
1 1145 . 20 1 1 A 96 96 VAL CA C 96 62.751 62.925 -0.174 1
1 1146 . 20 1 1 A 96 96 VAL CB C 96 31.440 31.538 -0.098 1
1 1149 . 20 1 1 A 96 96 VAL N N 96 120.925 120.462 0.463 1
1 1150 . 20 1 1 A 97 97 HIS H H 97 8.603 8.978 -0.375 1
1 1151 . 20 1 1 A 97 97 HIS HA H 97 5.234 5.034 0.200 1
1 1156 . 20 1 1 A 97 97 HIS C C 97 174.348 173.547 0.801 1
1 1157 . 20 1 1 A 97 97 HIS CA C 97 54.404 54.236 0.168 1
1 1158 . 20 1 1 A 97 97 HIS CB C 97 30.536 32.139 -1.603 1
1 1161 . 20 1 1 A 97 97 HIS N N 97 124.160 126.606 -2.446 1
1 1162 . 20 1 1 A 98 98 TYR H H 98 9.267 8.661 0.606 1
1 1163 . 20 1 1 A 98 98 TYR HA H 98 4.532 4.757 -0.225 1
1 1170 . 20 1 1 A 98 98 TYR C C 98 173.621 174.292 -0.671 1
1 1171 . 20 1 1 A 98 98 TYR CA C 98 57.122 56.164 0.958 1
1 1172 . 20 1 1 A 98 98 TYR CB C 98 41.228 41.886 -0.658 1
1 1177 . 20 1 1 A 98 98 TYR N N 98 121.543 119.781 1.762 1
1 1178 . 20 1 1 A 99 99 PHE H H 99 8.861 8.862 -0.001 1
1 1179 . 20 1 1 A 99 99 PHE HA H 99 4.983 5.154 -0.171 1
1 1186 . 20 1 1 A 99 99 PHE C C 99 173.754 174.759 -1.005 1
1 1187 . 20 1 1 A 99 99 PHE CA C 99 57.705 57.095 0.610 1
1 1188 . 20 1 1 A 99 99 PHE CB C 99 41.516 39.503 2.013 1
1 1193 . 20 1 1 A 99 99 PHE N N 99 121.699 123.051 -1.352 1
1 1194 . 20 1 1 A 100 100 LEU H H 100 8.529 8.416 0.113 1
1 1195 . 20 1 1 A 100 100 LEU HA H 100 5.345 5.218 0.127 1
1 1205 . 20 1 1 A 100 100 LEU C C 100 174.942 174.810 0.132 1
1 1206 . 20 1 1 A 100 100 LEU CA C 100 52.781 52.656 0.125 1
1 1207 . 20 1 1 A 100 100 LEU CB C 100 44.518 42.819 1.699 1
1 1211 . 20 1 1 A 100 100 LEU N N 100 123.519 125.017 -1.498 1
1 1212 . 20 1 1 A 101 101 GLN H H 101 8.717 8.861 -0.144 1
1 1213 . 20 1 1 A 101 101 GLN HA H 101 4.886 4.678 0.208 1
1 1220 . 20 1 1 A 101 101 GLN C C 101 175.390 175.025 0.365 1
1 1221 . 20 1 1 A 101 101 GLN CA C 101 54.934 54.664 0.270 1
1 1222 . 20 1 1 A 101 101 GLN CB C 101 32.222 29.855 2.367 1
1 1224 . 20 1 1 A 101 101 GLN N N 101 117.786 124.383 -6.597 1
1 1226 . 20 1 1 A 102 102 ALA H H 102 8.256 9.376 -1.120 1
1 1227 . 20 1 1 A 102 102 ALA HA H 102 4.862 4.500 0.362 1
1 1231 . 20 1 1 A 102 102 ALA C C 102 176.008 177.910 -1.902 1
1 1232 . 20 1 1 A 102 102 ALA CA C 102 50.098 51.987 -1.889 1
1 1233 . 20 1 1 A 102 102 ALA CB C 102 21.606 19.798 1.808 1
1 1234 . 20 1 1 A 102 102 ALA N N 102 128.068 129.719 -1.651 1
1 1235 . 20 1 1 A 103 103 ALA H H 103 9.255 8.843 0.412 1
1 1236 . 20 1 1 A 103 103 ALA HA H 103 4.247 4.152 0.095 1
1 1240 . 20 1 1 A 103 103 ALA C C 103 178.153 177.771 0.382 1
1 1241 . 20 1 1 A 103 103 ALA CA C 103 54.369 55.763 -1.394 1
1 1242 . 20 1 1 A 103 103 ALA CB C 103 20.377 18.693 1.684 1
1 1243 . 20 1 1 A 103 103 ALA N N 103 120.410 123.664 -3.254 1
1 1244 . 20 1 1 A 104 104 THR H H 104 7.149 7.870 -0.721 1
1 1245 . 20 1 1 A 104 104 THR HA H 104 4.846 4.777 0.069 1
1 1250 . 20 1 1 A 104 104 THR C C 104 173.354 173.881 -0.527 1
1 1251 . 20 1 1 A 104 104 THR CA C 104 57.810 59.201 -1.391 1
1 1252 . 20 1 1 A 104 104 THR CB C 104 71.496 70.293 1.203 1
1 1254 . 20 1 1 A 104 104 THR N N 104 103.106 109.061 -5.955 1
1 1255 . 20 1 1 A 105 105 PRO HA H 105 4.225 4.609 -0.384 1
1 1262 . 20 1 1 A 105 105 PRO C C 105 179.704 178.110 1.594 1
1 1263 . 20 1 1 A 105 105 PRO CA C 105 65.046 64.207 0.839 1
1 1264 . 20 1 1 A 105 105 PRO CB C 105 31.775 31.859 -0.084 1
1 1267 . 20 1 1 A 106 106 LYS H H 106 7.764 7.733 0.031 1
1 1268 . 20 1 1 A 106 106 LYS HA H 106 4.036 4.077 -0.041 1
1 1277 . 20 1 1 A 106 106 LYS C C 106 177.959 178.589 -0.630 1
1 1278 . 20 1 1 A 106 106 LYS CA C 106 59.452 59.304 0.148 1
1 1279 . 20 1 1 A 106 106 LYS CB C 106 32.797 32.209 0.588 1
1 1283 . 20 1 1 A 106 106 LYS N N 106 119.261 118.454 0.807 1
1 1284 . 20 1 1 A 107 107 GLU H H 107 8.005 7.783 0.222 1
1 1285 . 20 1 1 A 107 107 GLU HA H 107 4.171 4.044 0.127 1
1 1290 . 20 1 1 A 107 107 GLU C C 107 178.529 178.914 -0.385 1
1 1291 . 20 1 1 A 107 107 GLU CA C 107 59.310 59.128 0.182 1
1 1292 . 20 1 1 A 107 107 GLU CB C 107 31.111 29.313 1.798 1
1 1294 . 20 1 1 A 107 107 GLU N N 107 119.293 118.793 0.500 1
1 1295 . 20 1 1 A 108 108 ARG H H 108 7.810 7.569 0.241 1
1 1296 . 20 1 1 A 108 108 ARG HA H 108 3.603 4.463 -0.860 1
1 1303 . 20 1 1 A 108 108 ARG C C 108 176.287 179.117 -2.830 1
1 1304 . 20 1 1 A 108 108 ARG CA C 108 60.598 59.086 1.512 1
1 1305 . 20 1 1 A 108 108 ARG CB C 108 29.548 30.039 -0.491 1
1 1308 . 20 1 1 A 108 108 ARG N N 108 118.989 120.062 -1.073 1
1 1309 . 20 1 1 A 109 109 THR H H 109 8.195 8.195 0.000 1
1 1310 . 20 1 1 A 109 109 THR HA H 109 3.645 3.783 -0.138 1
1 1315 . 20 1 1 A 109 109 THR C C 109 176.227 176.704 -0.477 1
1 1316 . 20 1 1 A 109 109 THR CA C 109 67.022 67.503 -0.481 1
1 1317 . 20 1 1 A 109 109 THR CB C 109 68.576 68.057 0.519 1
1 1319 . 20 1 1 A 109 109 THR N N 109 115.975 116.236 -0.261 1
1 1320 . 20 1 1 A 110 110 GLU H H 110 8.274 8.085 0.189 1
1 1321 . 20 1 1 A 110 110 GLU HA H 110 3.794 3.894 -0.100 1
1 1326 . 20 1 1 A 110 110 GLU C C 110 180.516 179.483 1.033 1
1 1327 . 20 1 1 A 110 110 GLU CA C 110 59.534 59.693 -0.159 1
1 1328 . 20 1 1 A 110 110 GLU CB C 110 29.507 29.176 0.331 1
1 1330 . 20 1 1 A 110 110 GLU N N 110 119.565 119.595 -0.030 1
1 1331 . 20 1 1 A 111 111 TRP H H 111 8.316 9.037 -0.721 1
1 1332 . 20 1 1 A 111 111 TRP HA H 111 3.912 4.263 -0.351 1
1 1341 . 20 1 1 A 111 111 TRP C C 111 178.020 178.408 -0.388 1
1 1342 . 20 1 1 A 111 111 TRP CA C 111 62.464 60.019 2.445 1
1 1343 . 20 1 1 A 111 111 TRP CB C 111 29.548 29.300 0.248 1
1 1349 . 20 1 1 A 111 111 TRP N N 111 120.868 120.718 0.150 1
1 1351 . 20 1 1 A 112 112 ILE H H 112 8.271 7.687 0.584 1
1 1352 . 20 1 1 A 112 112 ILE HA H 112 3.254 3.540 -0.286 1
1 1362 . 20 1 1 A 112 112 ILE C C 112 177.669 177.943 -0.274 1
1 1363 . 20 1 1 A 112 112 ILE CA C 112 67.040 64.863 2.177 1
1 1364 . 20 1 1 A 112 112 ILE CB C 112 37.856 37.650 0.206 1
1 1368 . 20 1 1 A 112 112 ILE N N 112 118.862 119.570 -0.708 1
1 1369 . 20 1 1 A 113 113 LYS H H 113 8.042 8.060 -0.018 1
1 1370 . 20 1 1 A 113 113 LYS HA H 113 3.991 3.975 0.016 1
1 1379 . 20 1 1 A 113 113 LYS C C 113 178.977 179.053 -0.076 1
1 1380 . 20 1 1 A 113 113 LYS CA C 113 59.328 59.213 0.115 1
1 1381 . 20 1 1 A 113 113 LYS CB C 113 32.345 32.246 0.099 1
1 1385 . 20 1 1 A 113 113 LYS N N 113 117.182 119.707 -2.525 1
1 1386 . 20 1 1 A 114 114 ALA H H 114 7.686 8.741 -1.055 1
1 1387 . 20 1 1 A 114 114 ALA HA H 114 4.058 4.029 0.029 1
1 1391 . 20 1 1 A 114 114 ALA C C 114 179.849 179.798 0.051 1
1 1392 . 20 1 1 A 114 114 ALA CA C 114 55.146 55.093 0.053 1
1 1393 . 20 1 1 A 114 114 ALA CB C 114 18.362 18.686 -0.324 1
1 1394 . 20 1 1 A 114 114 ALA N N 114 120.689 122.043 -1.354 1
1 1395 . 20 1 1 A 115 115 ILE H H 115 8.594 9.168 -0.574 1
1 1396 . 20 1 1 A 115 115 ILE HA H 115 3.534 3.663 -0.129 1
1 1406 . 20 1 1 A 115 115 ILE C C 115 178.432 178.228 0.204 1
1 1407 . 20 1 1 A 115 115 ILE CA C 115 66.016 65.064 0.952 1
1 1408 . 20 1 1 A 115 115 ILE CB C 115 38.390 37.509 0.881 1
1 1412 . 20 1 1 A 115 115 ILE N N 115 118.898 117.642 1.256 1
1 1413 . 20 1 1 A 116 116 GLN H H 116 8.732 8.762 -0.030 1
1 1414 . 20 1 1 A 116 116 GLN HA H 116 3.851 4.352 -0.501 1
1 1421 . 20 1 1 A 116 116 GLN C C 116 179.655 178.247 1.408 1
1 1422 . 20 1 1 A 116 116 GLN CA C 116 59.575 58.889 0.686 1
1 1423 . 20 1 1 A 116 116 GLN CB C 116 28.222 28.672 -0.450 1
1 1425 . 20 1 1 A 116 116 GLN N N 116 119.877 119.054 0.823 1
1 1427 . 20 1 1 A 117 117 MET H H 117 8.279 8.386 -0.107 1
1 1428 . 20 1 1 A 117 117 MET HA H 117 4.155 4.025 0.130 1
1 1436 . 20 1 1 A 117 117 MET C C 117 179.123 178.081 1.042 1
1 1437 . 20 1 1 A 117 117 MET CA C 117 58.658 58.389 0.269 1
1 1438 . 20 1 1 A 117 117 MET CB C 117 31.934 32.410 -0.476 1
1 1441 . 20 1 1 A 117 117 MET N N 117 118.855 119.310 -0.455 1
1 1442 . 20 1 1 A 118 118 ALA H H 118 8.266 7.557 0.709 1
1 1443 . 20 1 1 A 118 118 ALA HA H 118 4.240 4.057 0.183 1
1 1447 . 20 1 1 A 118 118 ALA C C 118 178.820 179.515 -0.695 1
1 1448 . 20 1 1 A 118 118 ALA CA C 118 54.604 55.146 -0.542 1
1 1449 . 20 1 1 A 118 118 ALA CB C 118 18.627 18.847 -0.220 1
1 1450 . 20 1 1 A 118 118 ALA N N 118 121.702 122.012 -0.310 1
1 1451 . 20 1 1 A 119 119 SER H H 119 8.073 8.828 -0.755 1
1 1452 . 20 1 1 A 119 119 SER HA H 119 4.027 4.185 -0.158 1
1 1455 . 20 1 1 A 119 119 SER C C 119 174.663 177.155 -2.492 1
1 1456 . 20 1 1 A 119 119 SER CA C 119 60.122 61.616 -1.494 1
1 1457 . 20 1 1 A 119 119 SER CB C 119 64.299 62.416 1.883 1
1 1458 . 20 1 1 A 119 119 SER N N 119 110.080 112.928 -2.848 1
1 1459 . 20 1 1 A 120 120 ARG H H 120 7.345 8.630 -1.285 1
1 1460 . 20 1 1 A 120 120 ARG HA H 120 4.383 4.103 0.280 1
1 1467 . 20 1 1 A 120 120 ARG C C 120 176.372 176.713 -0.341 1
1 1468 . 20 1 1 A 120 120 ARG CA C 120 56.681 58.983 -2.302 1
1 1469 . 20 1 1 A 120 120 ARG CB C 120 30.248 29.775 0.473 1
1 1472 . 20 1 1 A 120 120 ARG N N 120 120.244 121.871 -1.627 1
1 1473 . 20 1 1 A 121 121 THR H H 121 8.070 8.493 -0.423 1
1 1474 . 20 1 1 A 121 121 THR HA H 121 4.365 4.301 0.064 1
1 1479 . 20 1 1 A 121 121 THR C C 121 175.281 174.296 0.985 1
1 1480 . 20 1 1 A 121 121 THR CA C 121 62.557 62.645 -0.088 1
1 1481 . 20 1 1 A 121 121 THR CB C 121 70.298 68.976 1.322 1
1 1483 . 20 1 1 A 121 121 THR N N 121 114.024 114.092 -0.068 1
1 1484 . 20 1 1 A 122 122 GLY H H 122 8.520 8.479 0.041 1
1 1485 . 20 1 1 A 122 122 GLY HA2 H 122 4.005 4.086 -0.081 1
1 1486 . 20 1 1 A 122 122 GLY HA3 H 122 4.005 4.089 -0.084 1
1 1487 . 20 1 1 A 122 122 GLY C C 122 174.118 174.142 -0.024 1
1 1488 . 20 1 1 A 122 122 GLY CA C 122 45.351 45.224 0.127 1
1 1489 . 20 1 1 A 122 122 GLY N N 122 111.123 110.286 0.837 1
1 1490 . 20 1 1 A 123 123 LYS H H 123 8.309 8.068 0.241 1
1 1491 . 20 1 1 A 123 123 LYS HA H 123 4.364 4.361 0.003 1
1 1500 . 20 1 1 A 123 123 LYS C C 123 176.772 174.364 2.408 1
1 1501 . 20 1 1 A 123 123 LYS CA C 123 56.310 58.127 -1.817 1
1 1502 . 20 1 1 A 123 123 LYS CB C 123 33.167 31.837 1.330 1
1 1506 . 20 1 1 A 123 123 LYS N N 123 121.100 119.235 1.865 1
1 1507 . 20 1 1 A 124 124 SER H H 124 8.453 8.701 -0.248 1
1 1508 . 20 1 1 A 124 124 SER HA H 124 4.489 4.853 -0.364 1
1 1509 . 20 1 1 A 124 124 SER C C 124 174.518 173.762 0.756 1
1 1510 . 20 1 1 A 124 124 SER CA C 124 58.357 56.663 1.694 1
1 1511 . 20 1 1 A 124 124 SER CB C 124 64.052 63.641 0.411 1
1 1512 . 20 1 1 A 124 124 SER N N 124 117.316 119.968 -2.652 1
1 1513 . 20 1 1 A 125 125 GLY H H 125 8.278 8.201 0.077 1
1 1514 . 20 1 1 A 125 125 GLY HA2 H 125 4.154 4.216 -0.062 1
1 1515 . 20 1 1 A 125 125 GLY HA3 H 125 4.102 4.218 -0.116 1
1 1516 . 20 1 1 A 125 125 GLY C C 125 171.827 174.096 -2.269 1
1 1517 . 20 1 1 A 125 125 GLY CA C 125 44.680 45.204 -0.524 1
1 1518 . 20 1 1 A 125 125 GLY N N 125 110.670 113.455 -2.785 1
1 1519 . 20 1 1 A 126 126 PRO HA H 126 4.461 4.391 0.070 1
1 1526 . 20 1 1 A 126 126 PRO C C 126 177.426 177.138 0.288 1
1 1527 . 20 1 1 A 126 126 PRO CA C 126 63.281 64.748 -1.467 1
1 1528 . 20 1 1 A 126 126 PRO CB C 126 32.263 31.926 0.337 1
1 1531 . 20 1 1 A 127 127 SER H H 127 8.556 8.074 0.482 1
1 1532 . 20 1 1 A 127 127 SER HA H 127 4.489 4.375 0.114 1
1 1535 . 20 1 1 A 127 127 SER C C 127 174.651 173.865 0.786 1
1 1536 . 20 1 1 A 127 127 SER CA C 127 58.410 58.916 -0.506 1
1 1537 . 20 1 1 A 127 127 SER CB C 127 63.682 62.694 0.988 1
1 1538 . 20 1 1 A 127 127 SER N N 127 116.423 115.078 1.345 1
1 1539 . 20 1 1 A 128 128 SER H H 128 8.313 8.995 -0.682 1
1 1540 . 20 1 1 A 128 128 SER HA H 128 4.489 4.073 0.416 1
1 1543 . 20 1 1 A 128 128 SER C C 128 173.936 173.224 0.712 1
1 1544 . 20 1 1 A 128 128 SER CA C 128 58.393 59.052 -0.659 1
1 1545 . 20 1 1 A 128 128 SER CB C 128 64.052 62.116 1.936 1
1 1546 . 20 1 1 A 128 128 SER N N 128 117.750 121.421 -3.671 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 118 0.998 1
2 1 1 1 "RMS(OBS, PRED)" CA 122 1.359 1
3 1 1 1 "RMS(OBS, PRED)" CB 112 1.432 1
4 1 1 1 "RMS(OBS, PRED)" H 112 0.567 1
5 1 1 1 "RMS(OBS, PRED)" HA 132 0.329 1
6 1 1 1 "RMS(OBS, PRED)" N 112 2.994 1
7 1 2 1 "RMS(OBS, PRED)" C 118 1.117 1
8 1 2 1 "RMS(OBS, PRED)" CA 122 1.212 1
9 1 2 1 "RMS(OBS, PRED)" CB 112 1.441 1
10 1 2 1 "RMS(OBS, PRED)" H 112 0.554 1
11 1 2 1 "RMS(OBS, PRED)" HA 132 0.367 1
12 1 2 1 "RMS(OBS, PRED)" N 112 2.844 1
13 1 3 1 "RMS(OBS, PRED)" C 118 1.050 1
14 1 3 1 "RMS(OBS, PRED)" CA 122 1.299 1
15 1 3 1 "RMS(OBS, PRED)" CB 112 1.462 1
16 1 3 1 "RMS(OBS, PRED)" H 112 0.552 1
17 1 3 1 "RMS(OBS, PRED)" HA 132 0.370 1
18 1 3 1 "RMS(OBS, PRED)" N 112 3.133 1
19 1 4 1 "RMS(OBS, PRED)" C 118 1.056 1
20 1 4 1 "RMS(OBS, PRED)" CA 122 1.325 1
21 1 4 1 "RMS(OBS, PRED)" CB 112 1.358 1
22 1 4 1 "RMS(OBS, PRED)" H 112 0.550 1
23 1 4 1 "RMS(OBS, PRED)" HA 132 0.325 1
24 1 4 1 "RMS(OBS, PRED)" N 112 2.927 1
25 1 5 1 "RMS(OBS, PRED)" C 118 1.108 1
26 1 5 1 "RMS(OBS, PRED)" CA 122 1.343 1
27 1 5 1 "RMS(OBS, PRED)" CB 112 1.312 1
28 1 5 1 "RMS(OBS, PRED)" H 112 0.584 1
29 1 5 1 "RMS(OBS, PRED)" HA 132 0.337 1
30 1 5 1 "RMS(OBS, PRED)" N 112 2.946 1
31 1 6 1 "RMS(OBS, PRED)" C 118 1.022 1
32 1 6 1 "RMS(OBS, PRED)" CA 122 1.302 1
33 1 6 1 "RMS(OBS, PRED)" CB 112 1.359 1
34 1 6 1 "RMS(OBS, PRED)" H 112 0.558 1
35 1 6 1 "RMS(OBS, PRED)" HA 132 0.338 1
36 1 6 1 "RMS(OBS, PRED)" N 112 2.897 1
37 1 7 1 "RMS(OBS, PRED)" C 118 1.086 1
38 1 7 1 "RMS(OBS, PRED)" CA 122 1.304 1
39 1 7 1 "RMS(OBS, PRED)" CB 112 1.462 1
40 1 7 1 "RMS(OBS, PRED)" H 112 0.532 1
41 1 7 1 "RMS(OBS, PRED)" HA 132 0.348 1
42 1 7 1 "RMS(OBS, PRED)" N 112 3.155 1
43 1 8 1 "RMS(OBS, PRED)" C 118 1.082 1
44 1 8 1 "RMS(OBS, PRED)" CA 122 1.337 1
45 1 8 1 "RMS(OBS, PRED)" CB 112 1.454 1
46 1 8 1 "RMS(OBS, PRED)" H 112 0.577 1
47 1 8 1 "RMS(OBS, PRED)" HA 132 0.358 1
48 1 8 1 "RMS(OBS, PRED)" N 112 2.992 1
49 1 9 1 "RMS(OBS, PRED)" C 118 1.004 1
50 1 9 1 "RMS(OBS, PRED)" CA 122 1.394 1
51 1 9 1 "RMS(OBS, PRED)" CB 112 1.417 1
52 1 9 1 "RMS(OBS, PRED)" H 112 0.566 1
53 1 9 1 "RMS(OBS, PRED)" HA 132 0.340 1
54 1 9 1 "RMS(OBS, PRED)" N 112 2.858 1
55 1 10 1 "RMS(OBS, PRED)" C 118 1.216 1
56 1 10 1 "RMS(OBS, PRED)" CA 122 1.377 1
57 1 10 1 "RMS(OBS, PRED)" CB 112 1.395 1
58 1 10 1 "RMS(OBS, PRED)" H 112 0.560 1
59 1 10 1 "RMS(OBS, PRED)" HA 132 0.349 1
60 1 10 1 "RMS(OBS, PRED)" N 112 3.054 1
61 1 11 1 "RMS(OBS, PRED)" C 118 1.115 1
62 1 11 1 "RMS(OBS, PRED)" CA 122 1.319 1
63 1 11 1 "RMS(OBS, PRED)" CB 112 1.509 1
64 1 11 1 "RMS(OBS, PRED)" H 112 0.547 1
65 1 11 1 "RMS(OBS, PRED)" HA 132 0.350 1
66 1 11 1 "RMS(OBS, PRED)" N 112 3.218 1
67 1 12 1 "RMS(OBS, PRED)" C 118 1.105 1
68 1 12 1 "RMS(OBS, PRED)" CA 122 1.327 1
69 1 12 1 "RMS(OBS, PRED)" CB 112 1.541 1
70 1 12 1 "RMS(OBS, PRED)" H 112 0.551 1
71 1 12 1 "RMS(OBS, PRED)" HA 132 0.346 1
72 1 12 1 "RMS(OBS, PRED)" N 112 3.177 1
73 1 13 1 "RMS(OBS, PRED)" C 118 1.090 1
74 1 13 1 "RMS(OBS, PRED)" CA 122 1.327 1
75 1 13 1 "RMS(OBS, PRED)" CB 112 1.468 1
76 1 13 1 "RMS(OBS, PRED)" H 112 0.596 1
77 1 13 1 "RMS(OBS, PRED)" HA 132 0.343 1
78 1 13 1 "RMS(OBS, PRED)" N 112 2.933 1
79 1 14 1 "RMS(OBS, PRED)" C 118 1.127 1
80 1 14 1 "RMS(OBS, PRED)" CA 122 1.305 1
81 1 14 1 "RMS(OBS, PRED)" CB 112 1.360 1
82 1 14 1 "RMS(OBS, PRED)" H 112 0.499 1
83 1 14 1 "RMS(OBS, PRED)" HA 132 0.335 1
84 1 14 1 "RMS(OBS, PRED)" N 112 3.210 1
85 1 15 1 "RMS(OBS, PRED)" C 118 1.082 1
86 1 15 1 "RMS(OBS, PRED)" CA 122 1.305 1
87 1 15 1 "RMS(OBS, PRED)" CB 112 1.262 1
88 1 15 1 "RMS(OBS, PRED)" H 112 0.544 1
89 1 15 1 "RMS(OBS, PRED)" HA 132 0.309 1
90 1 15 1 "RMS(OBS, PRED)" N 112 3.203 1
91 1 16 1 "RMS(OBS, PRED)" C 118 1.046 1
92 1 16 1 "RMS(OBS, PRED)" CA 122 1.355 1
93 1 16 1 "RMS(OBS, PRED)" CB 112 1.314 1
94 1 16 1 "RMS(OBS, PRED)" H 112 0.538 1
95 1 16 1 "RMS(OBS, PRED)" HA 132 0.355 1
96 1 16 1 "RMS(OBS, PRED)" N 112 3.098 1
97 1 17 1 "RMS(OBS, PRED)" C 118 1.172 1
98 1 17 1 "RMS(OBS, PRED)" CA 122 1.314 1
99 1 17 1 "RMS(OBS, PRED)" CB 112 1.346 1
100 1 17 1 "RMS(OBS, PRED)" H 112 0.588 1
101 1 17 1 "RMS(OBS, PRED)" HA 132 0.358 1
102 1 17 1 "RMS(OBS, PRED)" N 112 3.152 1
103 1 18 1 "RMS(OBS, PRED)" C 118 1.107 1
104 1 18 1 "RMS(OBS, PRED)" CA 122 1.298 1
105 1 18 1 "RMS(OBS, PRED)" CB 112 1.392 1
106 1 18 1 "RMS(OBS, PRED)" H 112 0.521 1
107 1 18 1 "RMS(OBS, PRED)" HA 132 0.344 1
108 1 18 1 "RMS(OBS, PRED)" N 112 2.874 1
109 1 19 1 "RMS(OBS, PRED)" C 118 1.101 1
110 1 19 1 "RMS(OBS, PRED)" CA 122 1.341 1
111 1 19 1 "RMS(OBS, PRED)" CB 112 1.436 1
112 1 19 1 "RMS(OBS, PRED)" H 112 0.542 1
113 1 19 1 "RMS(OBS, PRED)" HA 132 0.349 1
114 1 19 1 "RMS(OBS, PRED)" N 112 2.919 1
115 1 20 1 "RMS(OBS, PRED)" C 118 1.067 1
116 1 20 1 "RMS(OBS, PRED)" CA 122 1.281 1
117 1 20 1 "RMS(OBS, PRED)" CB 112 1.396 1
118 1 20 1 "RMS(OBS, PRED)" H 112 0.535 1
119 1 20 1 "RMS(OBS, PRED)" HA 132 0.350 1
120 1 20 1 "RMS(OBS, PRED)" N 112 2.953 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 6 6 SER HA H 6 4.475 4.785 -0.310 2
1 4 . 1 1 A 6 6 SER C C 6 174.978 174.250 0.728 2
1 5 . 1 1 A 6 6 SER CA C 6 58.657 57.968 0.689 2
1 6 . 1 1 A 6 6 SER CB C 6 63.682 64.553 -0.871 2
1 7 . 1 1 A 7 7 GLY H H 7 8.385 8.299 0.086 2
1 8 . 1 1 A 7 7 GLY HA2 H 7 3.947 4.114 -0.167 2
1 9 . 1 1 A 7 7 GLY HA3 H 7 3.947 4.117 -0.170 2
1 10 . 1 1 A 7 7 GLY C C 7 173.900 172.803 1.097 2
1 11 . 1 1 A 7 7 GLY CA C 7 45.280 45.797 -0.517 2
1 12 . 1 1 A 7 7 GLY N N 7 110.753 110.628 0.125 2
1 13 . 1 1 A 8 8 VAL H H 8 7.896 8.282 -0.386 2
1 14 . 1 1 A 8 8 VAL HA H 8 4.046 4.710 -0.664 2
1 22 . 1 1 A 8 8 VAL C C 8 175.948 175.019 0.929 2
1 23 . 1 1 A 8 8 VAL CA C 8 62.399 60.434 1.965 2
1 24 . 1 1 A 8 8 VAL CB C 8 32.904 34.716 -1.812 2
1 27 . 1 1 A 8 8 VAL N N 8 119.771 119.910 -0.139 2
1 28 . 1 1 A 9 9 ILE H H 9 8.253 8.535 -0.282 2
1 29 . 1 1 A 9 9 ILE HA H 9 4.103 4.098 0.005 2
1 39 . 1 1 A 9 9 ILE C C 9 175.984 175.603 0.381 2
1 40 . 1 1 A 9 9 ILE CA C 9 60.657 62.290 -1.633 2
1 41 . 1 1 A 9 9 ILE CB C 9 38.349 38.056 0.293 2
1 45 . 1 1 A 9 9 ILE N N 9 125.791 124.809 0.982 2
1 46 . 1 1 A 10 10 LEU H H 10 8.374 8.519 -0.145 2
1 47 . 1 1 A 10 10 LEU HA H 10 4.379 4.972 -0.593 2
1 57 . 1 1 A 10 10 LEU C C 10 177.171 175.977 1.194 2
1 58 . 1 1 A 10 10 LEU CA C 10 54.598 53.733 0.866 2
1 59 . 1 1 A 10 10 LEU CB C 10 42.873 44.933 -2.060 2
1 63 . 1 1 A 10 10 LEU N N 10 127.929 127.042 0.887 2
1 64 . 1 1 A 11 11 LYS H H 11 8.414 8.712 -0.298 2
1 65 . 1 1 A 11 11 LYS HA H 11 4.214 4.403 -0.189 2
1 74 . 1 1 A 11 11 LYS C C 11 177.244 177.187 0.057 2
1 75 . 1 1 A 11 11 LYS CA C 11 57.051 55.918 1.133 2
1 76 . 1 1 A 11 11 LYS CB C 11 33.332 33.376 -0.044 2
1 80 . 1 1 A 11 11 LYS N N 11 123.211 126.052 -2.840 2
1 81 . 1 1 A 12 12 GLU H H 12 8.629 8.674 -0.045 2
1 82 . 1 1 A 12 12 GLU HA H 12 3.745 4.426 -0.681 2
1 87 . 1 1 A 12 12 GLU C C 12 177.366 178.378 -1.012 2
1 88 . 1 1 A 12 12 GLU CA C 12 59.663 57.633 2.030 2
1 89 . 1 1 A 12 12 GLU CB C 12 29.672 30.553 -0.881 2
1 91 . 1 1 A 12 12 GLU N N 12 122.998 121.272 1.726 2
1 92 . 1 1 A 13 13 GLU H H 13 8.043 8.371 -0.329 2
1 93 . 1 1 A 13 13 GLU HA H 13 3.333 4.184 -0.852 2
1 98 . 1 1 A 13 13 GLU C C 13 175.451 177.092 -1.641 2
1 99 . 1 1 A 13 13 GLU CA C 13 57.634 58.169 -0.535 2
1 100 . 1 1 A 13 13 GLU CB C 13 28.567 28.404 0.163 2
1 102 . 1 1 A 13 13 GLU N N 13 113.498 118.491 -4.993 2
1 103 . 1 1 A 14 14 PHE H H 14 7.483 7.804 -0.321 2
1 104 . 1 1 A 14 14 PHE HA H 14 4.650 4.643 0.007 2
1 112 . 1 1 A 14 14 PHE C C 14 175.657 176.521 -0.864 2
1 113 . 1 1 A 14 14 PHE CA C 14 56.187 58.061 -1.874 2
1 114 . 1 1 A 14 14 PHE CB C 14 39.665 38.890 0.775 2
1 120 . 1 1 A 14 14 PHE N N 14 115.879 118.263 -2.384 2
1 121 . 1 1 A 15 15 ARG H H 15 7.757 8.071 -0.314 2
1 122 . 1 1 A 15 15 ARG HA H 15 4.154 4.413 -0.259 2
1 129 . 1 1 A 15 15 ARG C C 15 177.353 176.599 0.754 2
1 130 . 1 1 A 15 15 ARG CA C 15 58.092 56.855 1.237 2
1 131 . 1 1 A 15 15 ARG CB C 15 31.193 29.869 1.324 2
1 134 . 1 1 A 15 15 ARG N N 15 118.945 119.127 -0.182 2
1 135 . 1 1 A 16 16 GLY H H 16 8.812 8.053 0.760 2
1 136 . 1 1 A 16 16 GLY HA2 H 16 4.194 4.161 0.033 2
1 137 . 1 1 A 16 16 GLY HA3 H 16 3.824 4.183 -0.359 2
1 138 . 1 1 A 16 16 GLY C C 16 173.427 172.406 1.020 2
1 139 . 1 1 A 16 16 GLY CA C 16 45.157 45.031 0.126 2
1 140 . 1 1 A 16 16 GLY N N 16 109.133 108.876 0.257 2
1 141 . 1 1 A 17 17 VAL H H 17 8.308 8.216 0.092 2
1 142 . 1 1 A 17 17 VAL HA H 17 4.060 4.883 -0.823 2
1 150 . 1 1 A 17 17 VAL C C 17 176.469 174.167 2.302 2
1 151 . 1 1 A 17 17 VAL CA C 17 62.098 59.446 2.652 2
1 152 . 1 1 A 17 17 VAL CB C 17 33.414 35.554 -2.140 2
1 155 . 1 1 A 17 17 VAL N N 17 120.815 118.957 1.858 2
1 156 . 1 1 A 18 18 ILE H H 18 8.547 8.862 -0.315 2
1 157 . 1 1 A 18 18 ILE HA H 18 4.186 4.811 -0.625 2
1 167 . 1 1 A 18 18 ILE C C 18 177.208 176.537 0.671 2
1 168 . 1 1 A 18 18 ILE CA C 18 63.175 60.156 3.019 2
1 169 . 1 1 A 18 18 ILE CB C 18 38.596 39.849 -1.253 2
1 173 . 1 1 A 18 18 ILE N N 18 125.006 123.806 1.200 2
1 174 . 1 1 A 19 19 ILE H H 19 9.127 8.575 0.552 2
1 175 . 1 1 A 19 19 ILE HA H 19 4.461 4.472 -0.011 2
1 185 . 1 1 A 19 19 ILE C C 19 176.081 175.774 0.307 2
1 186 . 1 1 A 19 19 ILE CA C 19 60.298 61.272 -0.974 2
1 187 . 1 1 A 19 19 ILE CB C 19 39.665 39.793 -0.128 2
1 191 . 1 1 A 19 19 ILE N N 19 124.358 120.456 3.902 2
1 192 . 1 1 A 20 20 LYS H H 20 7.620 7.716 -0.096 2
1 193 . 1 1 A 20 20 LYS HA H 20 4.325 4.690 -0.365 2
1 202 . 1 1 A 20 20 LYS C C 20 172.760 174.230 -1.470 2
1 203 . 1 1 A 20 20 LYS CA C 20 57.298 55.502 1.796 2
1 204 . 1 1 A 20 20 LYS CB C 20 36.458 35.724 0.734 2
1 208 . 1 1 A 20 20 LYS N N 20 121.749 121.630 0.119 2
1 209 . 1 1 A 21 21 GLN H H 21 8.572 8.602 -0.030 2
1 210 . 1 1 A 21 21 GLN HA H 21 5.927 5.469 0.458 2
1 217 . 1 1 A 21 21 GLN C C 21 175.124 174.794 0.330 2
1 218 . 1 1 A 21 21 GLN CA C 21 54.227 54.605 -0.378 2
1 219 . 1 1 A 21 21 GLN CB C 21 33.369 33.131 0.238 2
1 221 . 1 1 A 21 21 GLN N N 21 121.653 124.099 -2.446 2
1 223 . 1 1 A 22 22 GLY H H 22 9.178 8.377 0.801 2
1 224 . 1 1 A 22 22 GLY HA2 H 22 4.904 4.341 0.563 2
1 225 . 1 1 A 22 22 GLY HA3 H 22 4.447 4.429 0.018 2
1 226 . 1 1 A 22 22 GLY C C 22 172.300 172.223 0.077 2
1 227 . 1 1 A 22 22 GLY CA C 22 45.650 45.819 -0.169 2
1 228 . 1 1 A 22 22 GLY N N 22 108.544 108.168 0.376 2
1 229 . 1 1 A 23 23 CYS H H 23 9.262 8.598 0.664 2
1 230 . 1 1 A 23 23 CYS HA H 23 5.904 5.827 0.077 2
1 233 . 1 1 A 23 23 CYS C C 23 175.293 173.732 1.561 2
1 234 . 1 1 A 23 23 CYS CA C 23 59.222 57.601 1.621 2
1 235 . 1 1 A 23 23 CYS CB C 23 29.260 30.309 -1.049 2
1 236 . 1 1 A 23 23 CYS N N 23 118.575 119.136 -0.561 2
1 237 . 1 1 A 24 24 LEU H H 24 9.131 9.990 -0.859 2
1 238 . 1 1 A 24 24 LEU HA H 24 4.627 5.042 -0.415 2
1 248 . 1 1 A 24 24 LEU C C 24 175.354 175.502 -0.148 2
1 249 . 1 1 A 24 24 LEU CA C 24 53.963 53.656 0.307 2
1 250 . 1 1 A 24 24 LEU CB C 24 47.315 45.930 1.385 2
1 254 . 1 1 A 24 24 LEU N N 24 122.880 123.649 -0.769 2
1 255 . 1 1 A 25 25 LEU H H 25 7.968 8.962 -0.994 2
1 256 . 1 1 A 25 25 LEU HA H 25 5.056 5.241 -0.185 2
1 266 . 1 1 A 25 25 LEU C C 25 175.766 175.126 0.640 2
1 267 . 1 1 A 25 25 LEU CA C 25 54.810 54.292 0.518 2
1 268 . 1 1 A 25 25 LEU CB C 25 44.065 42.267 1.798 2
1 272 . 1 1 A 25 25 LEU N N 25 119.755 122.558 -2.803 2
1 273 . 1 1 A 26 26 LYS H H 26 9.307 8.725 0.582 2
1 274 . 1 1 A 26 26 LYS HA H 26 5.166 4.781 0.385 2
1 283 . 1 1 A 26 26 LYS C C 26 175.778 175.926 -0.148 2
1 284 . 1 1 A 26 26 LYS CA C 26 54.687 55.678 -0.991 2
1 285 . 1 1 A 26 26 LYS CB C 26 37.033 33.613 3.420 2
1 289 . 1 1 A 26 26 LYS N N 26 122.635 126.279 -3.644 2
1 290 . 1 1 A 27 27 GLN H H 27 8.228 8.282 -0.054 2
1 291 . 1 1 A 27 27 GLN HA H 27 3.839 4.187 -0.348 2
1 298 . 1 1 A 27 27 GLN C C 27 176.869 175.906 0.963 2
1 299 . 1 1 A 27 27 GLN CA C 27 55.922 55.485 0.437 2
1 300 . 1 1 A 27 27 GLN CB C 27 29.589 29.651 -0.062 2
1 302 . 1 1 A 27 27 GLN N N 27 132.145 126.559 5.586 2
1 304 . 1 1 A 28 28 GLY H H 28 8.434 8.293 0.141 2
1 305 . 1 1 A 28 28 GLY HA2 H 28 4.144 4.070 0.074 2
1 306 . 1 1 A 28 28 GLY HA3 H 28 3.999 4.106 -0.107 2
1 307 . 1 1 A 28 28 GLY CA C 28 45.457 45.240 0.217 2
1 308 . 1 1 A 28 28 GLY N N 28 114.691 110.129 4.562 2
1 309 . 1 1 A 29 29 HIS HA H 29 4.352 4.587 -0.235 2
1 314 . 1 1 A 29 29 HIS CA C 29 58.505 56.596 1.909 2
1 315 . 1 1 A 29 29 HIS CB C 29 30.967 30.854 0.113 2
1 318 . 1 1 A 30 30 ARG HA H 30 4.114 4.066 0.048 2
1 325 . 1 1 A 30 30 ARG CA C 30 56.429 57.706 -1.277 2
1 326 . 1 1 A 30 30 ARG CB C 30 29.591 30.899 -1.308 2
1 329 . 1 1 A 31 31 ARG HA H 31 3.774 4.193 -0.419 2
1 336 . 1 1 A 31 31 ARG C C 31 175.536 175.667 -0.131 2
1 337 . 1 1 A 31 31 ARG CA C 31 55.922 56.699 -0.777 2
1 338 . 1 1 A 31 31 ARG CB C 31 29.302 30.262 -0.960 2
1 341 . 1 1 A 32 32 LYS H H 32 8.011 8.308 -0.297 2
1 342 . 1 1 A 32 32 LYS HA H 32 4.164 4.380 -0.216 2
1 351 . 1 1 A 32 32 LYS C C 32 175.741 175.916 -0.175 2
1 352 . 1 1 A 32 32 LYS CA C 32 56.239 57.310 -1.071 2
1 353 . 1 1 A 32 32 LYS CB C 32 32.016 33.652 -1.636 2
1 357 . 1 1 A 32 32 LYS N N 32 117.463 121.679 -4.216 2
1 358 . 1 1 A 33 33 ASN H H 33 7.870 8.284 -0.413 2
1 359 . 1 1 A 33 33 ASN HA H 33 4.807 4.967 -0.160 2
1 364 . 1 1 A 33 33 ASN C C 33 173.681 174.924 -1.243 2
1 365 . 1 1 A 33 33 ASN CA C 33 52.551 53.096 -0.545 2
1 366 . 1 1 A 33 33 ASN CB C 33 39.830 40.272 -0.442 2
1 367 . 1 1 A 33 33 ASN N N 33 117.522 117.609 -0.087 2
1 369 . 1 1 A 34 34 TRP H H 34 8.704 8.781 -0.077 2
1 370 . 1 1 A 34 34 TRP HA H 34 4.807 4.856 -0.049 2
1 379 . 1 1 A 34 34 TRP C C 34 176.129 176.196 -0.067 2
1 380 . 1 1 A 34 34 TRP CA C 34 56.540 57.745 -1.205 2
1 381 . 1 1 A 34 34 TRP CB C 34 31.399 30.450 0.949 2
1 387 . 1 1 A 34 34 TRP N N 34 121.620 121.879 -0.259 2
1 389 . 1 1 A 35 35 LYS H H 35 8.457 8.899 -0.442 2
1 390 . 1 1 A 35 35 LYS HA H 35 4.876 4.935 -0.059 2
1 399 . 1 1 A 35 35 LYS C C 35 176.081 175.771 0.310 2
1 400 . 1 1 A 35 35 LYS CA C 35 54.298 54.928 -0.630 2
1 401 . 1 1 A 35 35 LYS CB C 35 36.498 35.681 0.817 2
1 405 . 1 1 A 35 35 LYS N N 35 120.816 121.330 -0.514 2
1 406 . 1 1 A 36 36 VAL H H 36 8.974 8.732 0.242 2
1 407 . 1 1 A 36 36 VAL HA H 36 4.254 4.501 -0.247 2
1 415 . 1 1 A 36 36 VAL C C 36 176.808 175.784 1.024 2
1 416 . 1 1 A 36 36 VAL CA C 36 63.828 62.745 1.083 2
1 417 . 1 1 A 36 36 VAL CB C 36 31.687 32.448 -0.761 2
1 420 . 1 1 A 36 36 VAL N N 36 123.825 124.508 -0.683 2
1 421 . 1 1 A 37 37 ARG H H 37 9.327 9.046 0.281 2
1 422 . 1 1 A 37 37 ARG HA H 37 4.930 4.909 0.021 2
1 427 . 1 1 A 37 37 ARG C C 37 173.815 174.472 -0.658 2
1 428 . 1 1 A 37 37 ARG CA C 37 54.351 54.694 -0.343 2
1 429 . 1 1 A 37 37 ARG CB C 37 34.709 34.377 0.332 2
1 432 . 1 1 A 37 37 ARG N N 37 128.926 125.797 3.129 2
1 433 . 1 1 A 38 38 LYS H H 38 8.714 8.627 0.087 2
1 434 . 1 1 A 38 38 LYS HA H 38 4.959 4.996 -0.037 2
1 443 . 1 1 A 38 38 LYS C C 38 175.075 175.163 -0.088 2
1 444 . 1 1 A 38 38 LYS CA C 38 55.869 56.094 -0.225 2
1 445 . 1 1 A 38 38 LYS CB C 38 34.072 33.684 0.388 2
1 449 . 1 1 A 38 38 LYS N N 38 121.669 123.445 -1.776 2
1 450 . 1 1 A 39 39 PHE H H 39 9.751 9.803 -0.052 2
1 451 . 1 1 A 39 39 PHE HA H 39 5.591 5.252 0.339 2
1 459 . 1 1 A 39 39 PHE C C 39 175.414 174.890 0.524 2
1 460 . 1 1 A 39 39 PHE CA C 39 57.474 56.927 0.547 2
1 461 . 1 1 A 39 39 PHE CB C 39 42.667 41.296 1.371 2
1 467 . 1 1 A 39 39 PHE N N 39 127.216 125.070 2.146 2
1 468 . 1 1 A 40 40 ILE H H 40 9.246 10.438 -1.192 2
1 469 . 1 1 A 40 40 ILE HA H 40 4.864 5.199 -0.335 2
1 479 . 1 1 A 40 40 ILE C C 40 174.724 174.317 0.407 2
1 480 . 1 1 A 40 40 ILE CA C 40 62.134 60.133 2.001 2
1 481 . 1 1 A 40 40 ILE CB C 40 41.022 40.218 0.804 2
1 485 . 1 1 A 40 40 ILE N N 40 119.337 123.925 -4.589 2
1 486 . 1 1 A 41 41 LEU H H 41 9.549 9.279 0.270 2
1 487 . 1 1 A 41 41 LEU HA H 41 5.485 5.358 0.127 2
1 497 . 1 1 A 41 41 LEU C C 41 174.457 175.181 -0.724 2
1 498 . 1 1 A 41 41 LEU CA C 41 54.004 53.736 0.268 2
1 499 . 1 1 A 41 41 LEU CB C 41 45.299 45.445 -0.146 2
1 503 . 1 1 A 41 41 LEU N N 41 132.451 130.926 1.525 2
1 504 . 1 1 A 42 42 ARG H H 42 9.383 9.201 0.182 2
1 505 . 1 1 A 42 42 ARG HA H 42 5.492 5.309 0.183 2
1 513 . 1 1 A 42 42 ARG C C 42 174.893 175.231 -0.338 2
1 514 . 1 1 A 42 42 ARG CA C 42 54.421 54.566 -0.145 2
1 515 . 1 1 A 42 42 ARG CB C 42 35.470 33.600 1.870 2
1 518 . 1 1 A 42 42 ARG N N 42 128.467 124.920 3.547 2
1 520 . 1 1 A 43 43 GLU H H 43 8.259 8.488 -0.229 2
1 521 . 1 1 A 43 43 GLU HA H 43 4.366 4.790 -0.424 2
1 526 . 1 1 A 43 43 GLU C C 43 174.893 175.842 -0.949 2
1 527 . 1 1 A 43 43 GLU CA C 43 54.898 55.677 -0.779 2
1 528 . 1 1 A 43 43 GLU CB C 43 33.102 31.083 2.019 2
1 530 . 1 1 A 43 43 GLU N N 43 115.434 121.460 -6.026 2
1 531 . 1 1 A 44 44 ASP H H 44 7.870 8.991 -1.121 2
1 532 . 1 1 A 44 44 ASP HA H 44 4.433 4.245 0.188 2
1 535 . 1 1 A 44 44 ASP C C 44 172.991 174.300 -1.309 2
1 536 . 1 1 A 44 44 ASP CA C 44 53.892 54.913 -1.021 2
1 537 . 1 1 A 44 44 ASP CB C 44 41.146 39.595 1.551 2
1 538 . 1 1 A 44 44 ASP N N 44 114.444 119.738 -5.294 2
1 539 . 1 1 A 45 45 PRO HA H 45 4.710 4.572 0.138 2
1 546 . 1 1 A 45 45 PRO C C 45 176.747 175.513 1.234 2
1 547 . 1 1 A 45 45 PRO CA C 45 63.246 62.617 0.629 2
1 548 . 1 1 A 45 45 PRO CB C 45 34.977 32.708 2.269 2
1 551 . 1 1 A 46 46 ALA H H 46 8.356 8.215 0.141 2
1 552 . 1 1 A 46 46 ALA HA H 46 5.049 4.862 0.187 2
1 556 . 1 1 A 46 46 ALA C C 46 175.499 176.158 -0.659 2
1 557 . 1 1 A 46 46 ALA CA C 46 51.545 50.797 0.748 2
1 558 . 1 1 A 46 46 ALA CB C 46 19.655 19.539 0.116 2
1 559 . 1 1 A 46 46 ALA N N 46 122.969 123.466 -0.497 2
1 560 . 1 1 A 47 47 TYR H H 47 8.047 9.265 -1.218 2
1 561 . 1 1 A 47 47 TYR HA H 47 5.097 5.135 -0.038 2
1 568 . 1 1 A 47 47 TYR C C 47 173.730 174.434 -0.704 2
1 569 . 1 1 A 47 47 TYR CA C 47 57.563 56.436 1.127 2
1 570 . 1 1 A 47 47 TYR CB C 47 45.711 43.332 2.379 2
1 575 . 1 1 A 47 47 TYR N N 47 126.550 120.925 5.625 2
1 576 . 1 1 A 48 48 LEU H H 48 8.776 8.587 0.189 2
1 577 . 1 1 A 48 48 LEU HA H 48 5.578 5.346 0.232 2
1 587 . 1 1 A 48 48 LEU C C 48 175.039 174.675 0.364 2
1 588 . 1 1 A 48 48 LEU CA C 48 53.134 53.867 -0.733 2
1 589 . 1 1 A 48 48 LEU CB C 48 46.369 45.191 1.178 2
1 593 . 1 1 A 48 48 LEU N N 48 120.864 123.127 -2.263 2
1 594 . 1 1 A 49 49 HIS H H 49 8.974 9.338 -0.364 2
1 595 . 1 1 A 49 49 HIS HA H 49 5.181 5.064 0.117 2
1 600 . 1 1 A 49 49 HIS C C 49 174.712 173.949 0.763 2
1 601 . 1 1 A 49 49 HIS CA C 49 57.916 54.181 3.735 2
1 602 . 1 1 A 49 49 HIS CB C 49 35.347 32.004 3.343 2
1 605 . 1 1 A 49 49 HIS N N 49 124.417 126.339 -1.922 2
1 606 . 1 1 A 50 50 TYR H H 50 7.348 7.923 -0.575 2
1 607 . 1 1 A 50 50 TYR HA H 50 5.909 5.712 0.197 2
1 614 . 1 1 A 50 50 TYR C C 50 174.239 173.222 1.017 2
1 615 . 1 1 A 50 50 TYR CA C 50 53.610 55.025 -1.415 2
1 616 . 1 1 A 50 50 TYR CB C 50 40.077 40.851 -0.774 2
1 621 . 1 1 A 50 50 TYR N N 50 114.323 119.111 -4.788 2
1 622 . 1 1 A 51 51 TYR H H 51 9.230 9.238 -0.008 2
1 623 . 1 1 A 51 51 TYR HA H 51 4.555 4.962 -0.407 2
1 630 . 1 1 A 51 51 TYR C C 51 175.572 174.831 0.741 2
1 631 . 1 1 A 51 51 TYR CA C 51 57.175 56.834 0.341 2
1 632 . 1 1 A 51 51 TYR CB C 51 42.709 41.994 0.715 2
1 637 . 1 1 A 51 51 TYR N N 51 117.695 121.484 -3.789 2
1 638 . 1 1 A 52 52 ASP H H 52 9.390 8.685 0.705 2
1 639 . 1 1 A 52 52 ASP HA H 52 4.937 4.862 0.075 2
1 642 . 1 1 A 52 52 ASP CA C 52 52.057 52.023 0.034 2
1 643 . 1 1 A 52 52 ASP CB C 52 42.197 41.933 0.264 2
1 644 . 1 1 A 52 52 ASP N N 52 123.964 122.967 0.997 2
1 645 . 1 1 A 53 53 PRO HA H 53 4.274 4.421 -0.147 2
1 652 . 1 1 A 53 53 PRO C C 53 176.360 178.328 -1.968 2
1 653 . 1 1 A 53 53 PRO CA C 53 64.728 65.426 -0.698 2
1 654 . 1 1 A 53 53 PRO CB C 53 32.016 31.960 0.056 2
1 657 . 1 1 A 54 54 ALA H H 54 8.384 8.251 0.133 2
1 658 . 1 1 A 54 54 ALA HA H 54 4.492 4.133 0.359 2
1 662 . 1 1 A 54 54 ALA C C 54 177.620 177.752 -0.132 2
1 663 . 1 1 A 54 54 ALA CA C 54 52.022 53.822 -1.800 2
1 664 . 1 1 A 54 54 ALA CB C 54 19.202 19.462 -0.260 2
1 665 . 1 1 A 54 54 ALA N N 54 120.140 119.211 0.929 2
1 666 . 1 1 A 55 55 GLY H H 55 7.710 7.720 -0.010 2
1 667 . 1 1 A 55 55 GLY HA2 H 55 4.194 4.038 0.156 2
1 668 . 1 1 A 55 55 GLY HA3 H 55 3.833 4.039 -0.206 2
1 669 . 1 1 A 55 55 GLY C C 55 173.524 171.963 1.562 2
1 670 . 1 1 A 55 55 GLY CA C 55 45.421 45.327 0.094 2
1 671 . 1 1 A 55 55 GLY N N 55 107.828 103.300 4.528 2
1 672 . 1 1 A 56 56 ALA H H 56 8.339 8.392 -0.053 2
1 673 . 1 1 A 56 56 ALA HA H 56 4.378 4.633 -0.255 2
1 677 . 1 1 A 56 56 ALA C C 56 177.741 176.457 1.284 2
1 678 . 1 1 A 56 56 ALA CA C 56 52.410 51.966 0.444 2
1 679 . 1 1 A 56 56 ALA CB C 56 19.843 21.813 -1.970 2
1 680 . 1 1 A 56 56 ALA N N 56 125.269 122.542 2.727 2
1 681 . 1 1 A 57 57 GLU H H 57 8.567 8.857 -0.290 2
1 682 . 1 1 A 57 57 GLU HA H 57 4.160 4.461 -0.301 2
1 687 . 1 1 A 57 57 GLU C C 57 176.335 175.705 0.630 2
1 688 . 1 1 A 57 57 GLU CA C 57 57.616 57.861 -0.245 2
1 689 . 1 1 A 57 57 GLU CB C 57 30.083 31.703 -1.620 2
1 691 . 1 1 A 57 57 GLU N N 57 119.341 117.934 1.407 2
1 692 . 1 1 A 58 58 ASP H H 58 7.718 7.976 -0.257 2
1 693 . 1 1 A 58 58 ASP HA H 58 5.010 4.897 0.113 2
1 696 . 1 1 A 58 58 ASP C C 58 173.209 174.792 -1.583 2
1 697 . 1 1 A 58 58 ASP CA C 58 52.128 52.346 -0.218 2
1 698 . 1 1 A 58 58 ASP CB C 58 40.981 40.880 0.101 2
1 699 . 1 1 A 58 58 ASP N N 58 118.499 118.056 0.443 2
1 700 . 1 1 A 59 59 PRO HA H 59 3.493 4.162 -0.669 2
1 707 . 1 1 A 59 59 PRO C C 59 177.111 177.637 -0.526 2
1 708 . 1 1 A 59 59 PRO CA C 59 63.069 62.295 0.774 2
1 709 . 1 1 A 59 59 PRO CB C 59 31.229 31.545 -0.316 2
1 712 . 1 1 A 60 60 LEU H H 60 8.770 8.340 0.430 2
1 713 . 1 1 A 60 60 LEU HA H 60 4.114 3.929 0.185 2
1 723 . 1 1 A 60 60 LEU C C 60 177.268 176.540 0.728 2
1 724 . 1 1 A 60 60 LEU CA C 60 55.181 56.864 -1.683 2
1 725 . 1 1 A 60 60 LEU CB C 60 42.750 42.224 0.526 2
1 729 . 1 1 A 60 60 LEU N N 60 121.907 121.421 0.486 2
1 730 . 1 1 A 61 61 GLY H H 61 6.472 6.515 -0.043 2
1 731 . 1 1 A 61 61 GLY HA2 H 61 3.798 3.866 -0.068 2
1 732 . 1 1 A 61 61 GLY HA3 H 61 3.382 3.911 -0.529 2
1 733 . 1 1 A 61 61 GLY C C 61 169.367 170.620 -1.253 2
1 734 . 1 1 A 61 61 GLY CA C 61 45.033 45.429 -0.396 2
1 735 . 1 1 A 61 61 GLY N N 61 103.740 103.528 0.212 2
1 736 . 1 1 A 62 62 ALA H H 62 8.024 8.367 -0.343 2
1 737 . 1 1 A 62 62 ALA HA H 62 4.644 5.181 -0.537 2
1 741 . 1 1 A 62 62 ALA C C 62 176.226 175.531 0.695 2
1 742 . 1 1 A 62 62 ALA CA C 62 50.839 50.976 -0.137 2
1 743 . 1 1 A 62 62 ALA CB C 62 23.914 22.807 1.107 2
1 744 . 1 1 A 62 62 ALA N N 62 120.249 121.562 -1.313 2
1 745 . 1 1 A 63 63 ILE H H 63 8.810 8.638 0.172 2
1 746 . 1 1 A 63 63 ILE HA H 63 4.119 4.758 -0.640 2
1 756 . 1 1 A 63 63 ILE C C 63 174.724 175.627 -0.903 2
1 757 . 1 1 A 63 63 ILE CA C 63 60.757 60.460 0.297 2
1 758 . 1 1 A 63 63 ILE CB C 63 40.319 40.030 0.289 2
1 762 . 1 1 A 63 63 ILE N N 63 122.110 119.811 2.299 2
1 763 . 1 1 A 64 64 HIS H H 64 9.073 9.104 -0.031 2
1 764 . 1 1 A 64 64 HIS HA H 64 3.948 4.546 -0.598 2
1 769 . 1 1 A 64 64 HIS C C 64 176.529 175.424 1.105 2
1 770 . 1 1 A 64 64 HIS CA C 64 54.951 57.570 -2.619 2
1 771 . 1 1 A 64 64 HIS CB C 64 30.494 30.763 -0.269 2
1 774 . 1 1 A 64 64 HIS N N 64 129.092 128.044 1.048 2
1 775 . 1 1 A 65 65 LEU H H 65 7.770 7.862 -0.092 2
1 776 . 1 1 A 65 65 LEU HA H 65 4.074 4.449 -0.375 2
1 786 . 1 1 A 65 65 LEU C C 65 176.808 177.168 -0.360 2
1 787 . 1 1 A 65 65 LEU CA C 65 54.951 54.538 0.413 2
1 788 . 1 1 A 65 65 LEU CB C 65 42.667 42.477 0.190 2
1 792 . 1 1 A 65 65 LEU N N 65 124.760 128.025 -3.265 2
1 793 . 1 1 A 66 66 ARG H H 66 6.515 7.235 -0.720 2
1 794 . 1 1 A 66 66 ARG HA H 66 4.085 3.806 0.279 2
1 801 . 1 1 A 66 66 ARG C C 66 178.638 177.249 1.389 2
1 802 . 1 1 A 66 66 ARG CA C 66 58.092 58.477 -0.385 2
1 803 . 1 1 A 66 66 ARG CB C 66 29.525 29.462 0.063 2
1 806 . 1 1 A 66 66 ARG N N 66 120.462 120.028 0.434 2
1 807 . 1 1 A 67 67 GLY H H 67 9.300 7.747 1.553 2
1 808 . 1 1 A 67 67 GLY HA2 H 67 4.045 3.974 0.071 2
1 809 . 1 1 A 67 67 GLY HA3 H 67 3.826 3.998 -0.172 2
1 810 . 1 1 A 67 67 GLY C C 67 173.996 174.015 -0.019 2
1 811 . 1 1 A 67 67 GLY CA C 67 46.162 45.723 0.439 2
1 812 . 1 1 A 67 67 GLY N N 67 118.040 106.999 11.041 2
1 813 . 1 1 A 68 68 CYS H H 68 7.789 7.678 0.111 2
1 814 . 1 1 A 68 68 CYS HA H 68 4.779 4.598 0.181 2
1 817 . 1 1 A 68 68 CYS C C 68 173.148 173.845 -0.697 2
1 818 . 1 1 A 68 68 CYS CA C 68 57.545 58.508 -0.963 2
1 819 . 1 1 A 68 68 CYS CB C 68 28.644 29.230 -0.586 2
1 820 . 1 1 A 68 68 CYS N N 68 116.032 118.477 -2.445 2
1 821 . 1 1 A 69 69 VAL H H 69 8.665 9.600 -0.935 2
1 822 . 1 1 A 69 69 VAL HA H 69 4.364 4.836 -0.472 2
1 830 . 1 1 A 69 69 VAL C C 69 174.154 174.813 -0.659 2
1 831 . 1 1 A 69 69 VAL CA C 69 61.464 60.638 0.826 2
1 832 . 1 1 A 69 69 VAL CB C 69 35.041 35.730 -0.689 2
1 835 . 1 1 A 69 69 VAL N N 69 120.327 120.961 -0.634 2
1 836 . 1 1 A 70 70 VAL H H 70 8.656 8.670 -0.014 2
1 837 . 1 1 A 70 70 VAL HA H 70 5.543 5.064 0.479 2
1 845 . 1 1 A 70 70 VAL C C 70 174.105 175.249 -1.144 2
1 846 . 1 1 A 70 70 VAL CA C 70 59.028 61.034 -2.006 2
1 847 . 1 1 A 70 70 VAL CB C 70 34.237 34.029 0.208 2
1 850 . 1 1 A 70 70 VAL N N 70 124.719 125.819 -1.100 2
1 851 . 1 1 A 71 71 THR H H 71 8.883 8.629 0.254 2
1 852 . 1 1 A 71 71 THR HA H 71 4.724 4.761 -0.037 2
1 857 . 1 1 A 71 71 THR C C 71 173.087 172.239 0.848 2
1 858 . 1 1 A 71 71 THR CA C 71 59.875 60.724 -0.849 2
1 859 . 1 1 A 71 71 THR CB C 71 71.290 70.351 0.939 2
1 861 . 1 1 A 71 71 THR N N 71 120.107 120.350 -0.243 2
1 862 . 1 1 A 72 72 SER H H 72 8.706 8.745 -0.039 2
1 863 . 1 1 A 72 72 SER HA H 72 4.455 5.298 -0.843 2
1 866 . 1 1 A 72 72 SER C C 72 174.082 174.336 -0.254 2
1 867 . 1 1 A 72 72 SER CA C 72 59.204 57.214 1.990 2
1 868 . 1 1 A 72 72 SER CB C 72 63.476 65.637 -2.161 2
1 869 . 1 1 A 72 72 SER N N 72 120.128 119.455 0.673 2
1 870 . 1 1 A 73 73 VAL H H 73 7.825 8.582 -0.757 2
1 871 . 1 1 A 73 73 VAL HA H 73 4.302 4.583 -0.281 2
1 879 . 1 1 A 73 73 VAL C C 73 175.160 176.101 -0.941 2
1 880 . 1 1 A 73 73 VAL CA C 73 62.010 60.836 1.174 2
1 881 . 1 1 A 73 73 VAL CB C 73 33.579 33.565 0.014 2
1 884 . 1 1 A 73 73 VAL N N 73 125.377 119.647 5.730 2
1 885 . 1 1 A 74 74 GLU H H 74 8.706 8.636 0.070 2
1 886 . 1 1 A 74 74 GLU HA H 74 4.544 4.564 -0.020 2
1 891 . 1 1 A 74 74 GLU C C 74 176.420 176.498 -0.078 2
1 892 . 1 1 A 74 74 GLU CA C 74 55.622 56.687 -1.065 2
1 893 . 1 1 A 74 74 GLU CB C 74 30.741 30.374 0.367 2
1 895 . 1 1 A 74 74 GLU N N 74 126.564 120.877 5.687 2
1 896 . 1 1 A 75 75 SER H H 75 8.639 7.965 0.674 2
1 897 . 1 1 A 75 75 SER HA H 75 4.447 4.427 0.020 2
1 900 . 1 1 A 75 75 SER C C 75 174.299 173.882 0.417 2
1 901 . 1 1 A 75 75 SER CA C 75 58.339 58.869 -0.530 2
1 902 . 1 1 A 75 75 SER CB C 75 64.170 62.702 1.468 2
1 903 . 1 1 A 75 75 SER N N 75 117.961 116.102 1.860 2
1 904 . 1 1 A 76 76 ASN H H 76 8.672 8.481 0.191 2
1 905 . 1 1 A 76 76 ASN HA H 76 4.795 4.953 -0.158 2
1 910 . 1 1 A 76 76 ASN C C 76 175.584 174.615 0.969 2
1 911 . 1 1 A 76 76 ASN CA C 76 53.292 53.604 -0.312 2
1 912 . 1 1 A 76 76 ASN CB C 76 39.089 40.004 -0.915 2
1 913 . 1 1 A 76 76 ASN N N 76 121.138 122.156 -1.018 2
1 915 . 1 1 A 78 78 ASN HA H 78 4.635 4.947 -0.312 2
1 920 . 1 1 A 78 78 ASN C C 78 175.681 175.271 0.410 2
1 921 . 1 1 A 78 78 ASN CA C 78 53.610 53.399 0.211 2
1 922 . 1 1 A 78 78 ASN CB C 78 38.496 40.094 -1.598 2
1 924 . 1 1 A 79 79 GLY H H 79 8.356 8.419 -0.063 2
1 925 . 1 1 A 79 79 GLY HA2 H 79 3.821 4.016 -0.195 2
1 926 . 1 1 A 79 79 GLY HA3 H 79 4.011 4.018 -0.007 2
1 927 . 1 1 A 79 79 GLY C C 79 174.154 174.122 0.032 2
1 928 . 1 1 A 79 79 GLY CA C 79 45.563 45.742 -0.179 2
1 929 . 1 1 A 79 79 GLY N N 79 108.284 110.894 -2.610 2
1 930 . 1 1 A 80 80 ARG H H 80 7.919 8.384 -0.465 2
1 931 . 1 1 A 80 80 ARG HA H 80 4.344 4.357 -0.013 2
1 938 . 1 1 A 80 80 ARG C C 80 176.117 175.991 0.126 2
1 939 . 1 1 A 80 80 ARG CA C 80 55.905 57.075 -1.170 2
1 940 . 1 1 A 80 80 ARG CB C 80 30.782 31.403 -0.621 2
1 943 . 1 1 A 80 80 ARG N N 80 120.470 120.883 -0.413 2
1 944 . 1 1 A 81 81 LYS H H 81 8.427 8.239 0.188 2
1 945 . 1 1 A 81 81 LYS HA H 81 4.350 4.380 -0.030 2
1 954 . 1 1 A 81 81 LYS C C 81 176.808 175.909 0.899 2
1 955 . 1 1 A 81 81 LYS CA C 81 56.416 56.397 0.019 2
1 956 . 1 1 A 81 81 LYS CB C 81 32.797 33.477 -0.680 2
1 960 . 1 1 A 81 81 LYS N N 81 122.963 121.324 1.639 2
1 961 . 1 1 A 82 82 SER H H 82 8.440 8.579 -0.139 2
1 962 . 1 1 A 82 82 SER HA H 82 4.380 4.575 -0.196 2
1 965 . 1 1 A 82 82 SER C C 82 174.833 174.126 0.707 2
1 966 . 1 1 A 82 82 SER CA C 82 58.763 58.671 0.092 2
1 967 . 1 1 A 82 82 SER CB C 82 63.723 63.555 0.168 2
1 968 . 1 1 A 82 82 SER N N 82 118.053 117.199 0.854 2
1 969 . 1 1 A 83 83 GLU H H 83 8.648 8.618 0.030 2
1 970 . 1 1 A 83 83 GLU HA H 83 4.233 4.263 -0.030 2
1 975 . 1 1 A 83 83 GLU C C 83 176.311 175.726 0.585 2
1 976 . 1 1 A 83 83 GLU CA C 83 57.104 58.431 -1.327 2
1 977 . 1 1 A 83 83 GLU CB C 83 29.795 30.599 -0.803 2
1 979 . 1 1 A 83 83 GLU N N 83 121.793 124.773 -2.980 2
1 980 . 1 1 A 84 84 GLU H H 84 8.088 7.981 0.107 2
1 981 . 1 1 A 84 84 GLU HA H 84 4.161 4.464 -0.303 2
1 986 . 1 1 A 84 84 GLU C C 84 175.523 175.407 0.116 2
1 987 . 1 1 A 84 84 GLU CA C 84 56.275 55.123 1.151 2
1 988 . 1 1 A 84 84 GLU CB C 84 30.165 32.418 -2.253 2
1 990 . 1 1 A 84 84 GLU N N 84 119.385 117.578 1.807 2
1 991 . 1 1 A 85 85 GLU H H 85 7.907 8.416 -0.510 2
1 992 . 1 1 A 85 85 GLU HA H 85 4.350 4.509 -0.159 2
1 997 . 1 1 A 85 85 GLU C C 85 175.002 176.123 -1.121 2
1 998 . 1 1 A 85 85 GLU CA C 85 55.569 55.658 -0.089 2
1 999 . 1 1 A 85 85 GLU CB C 85 32.098 31.201 0.897 2
1 1001 . 1 1 A 85 85 GLU N N 85 120.414 123.906 -3.491 2
1 1002 . 1 1 A 86 86 ASN H H 86 8.569 8.540 0.029 2
1 1003 . 1 1 A 86 86 ASN HA H 86 4.225 4.955 -0.730 2
1 1008 . 1 1 A 86 86 ASN C C 86 175.147 174.769 0.378 2
1 1009 . 1 1 A 86 86 ASN CA C 86 54.068 53.324 0.744 2
1 1010 . 1 1 A 86 86 ASN CB C 86 38.185 38.909 -0.724 2
1 1011 . 1 1 A 86 86 ASN N N 86 114.602 118.321 -3.719 2
1 1013 . 1 1 A 87 87 LEU H H 87 8.483 8.816 -0.333 2
1 1014 . 1 1 A 87 87 LEU HA H 87 5.186 5.325 -0.139 2
1 1024 . 1 1 A 87 87 LEU C C 87 178.480 175.578 2.901 2
1 1025 . 1 1 A 87 87 LEU CA C 87 55.128 53.294 1.834 2
1 1026 . 1 1 A 87 87 LEU CB C 87 44.559 45.722 -1.163 2
1 1030 . 1 1 A 87 87 LEU N N 87 121.334 123.817 -2.483 2
1 1031 . 1 1 A 88 88 PHE H H 88 9.512 8.081 1.431 2
1 1032 . 1 1 A 88 88 PHE HA H 88 5.156 5.053 0.103 2
1 1040 . 1 1 A 88 88 PHE C C 88 170.288 172.049 -1.761 2
1 1041 . 1 1 A 88 88 PHE CA C 88 56.787 56.163 0.624 2
1 1042 . 1 1 A 88 88 PHE CB C 88 41.763 41.342 0.421 2
1 1048 . 1 1 A 88 88 PHE N N 88 119.324 116.744 2.580 2
1 1049 . 1 1 A 89 89 GLU H H 89 9.028 8.784 0.244 2
1 1050 . 1 1 A 89 89 GLU HA H 89 5.293 5.061 0.232 2
1 1055 . 1 1 A 89 89 GLU C C 89 175.245 175.105 0.140 2
1 1056 . 1 1 A 89 89 GLU CA C 89 53.433 55.223 -1.790 2
1 1057 . 1 1 A 89 89 GLU CB C 89 34.566 31.638 2.928 2
1 1059 . 1 1 A 89 89 GLU N N 89 121.829 120.450 1.379 2
1 1060 . 1 1 A 90 90 ILE H H 90 8.655 8.509 0.146 2
1 1061 . 1 1 A 90 90 ILE HA H 90 4.793 4.709 0.084 2
1 1071 . 1 1 A 90 90 ILE C C 90 174.808 175.063 -0.255 2
1 1072 . 1 1 A 90 90 ILE CA C 90 59.857 60.349 -0.492 2
1 1073 . 1 1 A 90 90 ILE CB C 90 41.886 40.165 1.721 2
1 1077 . 1 1 A 90 90 ILE N N 90 123.446 126.296 -2.850 2
1 1078 . 1 1 A 91 91 ILE H H 91 9.199 8.759 0.440 2
1 1079 . 1 1 A 91 91 ILE HA H 91 4.724 4.727 -0.003 2
1 1089 . 1 1 A 91 91 ILE C C 91 177.898 176.138 1.760 2
1 1090 . 1 1 A 91 91 ILE CA C 91 60.211 60.922 -0.711 2
1 1091 . 1 1 A 91 91 ILE CB C 91 39.043 37.969 1.074 2
1 1095 . 1 1 A 91 91 ILE N N 91 126.827 128.883 -2.056 2
1 1096 . 1 1 A 92 92 THR H H 92 9.086 8.120 0.966 2
1 1097 . 1 1 A 92 92 THR HA H 92 4.314 4.813 -0.499 2
1 1102 . 1 1 A 92 92 THR C C 92 176.857 175.504 1.353 2
1 1103 . 1 1 A 92 92 THR CA C 92 61.693 60.009 1.684 2
1 1104 . 1 1 A 92 92 THR CB C 92 70.920 71.347 -0.427 2
1 1106 . 1 1 A 92 92 THR N N 92 117.131 116.956 0.175 2
1 1107 . 1 1 A 93 93 ALA H H 93 9.192 8.919 0.273 2
1 1108 . 1 1 A 93 93 ALA HA H 93 4.101 4.151 -0.050 2
1 1112 . 1 1 A 93 93 ALA C C 93 178.008 177.783 0.225 2
1 1113 . 1 1 A 93 93 ALA CA C 93 54.634 54.364 0.270 2
1 1114 . 1 1 A 93 93 ALA CB C 93 18.198 18.467 -0.269 2
1 1115 . 1 1 A 93 93 ALA N N 93 123.540 123.832 -0.292 2
1 1116 . 1 1 A 94 94 ASP H H 94 7.979 7.657 0.322 2
1 1117 . 1 1 A 94 94 ASP HA H 94 4.724 4.724 -0.000 2
1 1120 . 1 1 A 94 94 ASP C C 94 174.324 175.667 -1.343 2
1 1121 . 1 1 A 94 94 ASP CA C 94 53.098 53.786 -0.688 2
1 1122 . 1 1 A 94 94 ASP CB C 94 39.336 41.156 -1.820 2
1 1123 . 1 1 A 94 94 ASP N N 94 113.209 116.948 -3.740 2
1 1124 . 1 1 A 95 95 GLU H H 95 8.152 8.372 -0.220 2
1 1125 . 1 1 A 95 95 GLU HA H 95 3.430 3.812 -0.382 2
1 1130 . 1 1 A 95 95 GLU C C 95 174.578 175.498 -0.920 2
1 1131 . 1 1 A 95 95 GLU CA C 95 57.687 58.013 -0.326 2
1 1132 . 1 1 A 95 95 GLU CB C 95 26.300 27.504 -1.204 2
1 1134 . 1 1 A 95 95 GLU N N 95 114.010 115.867 -1.857 2
1 1135 . 1 1 A 96 96 VAL H H 96 7.595 7.261 0.334 2
1 1136 . 1 1 A 96 96 VAL HA H 96 4.063 3.899 0.164 2
1 1144 . 1 1 A 96 96 VAL C C 96 175.293 175.100 0.193 2
1 1145 . 1 1 A 96 96 VAL CA C 96 62.751 63.063 -0.312 2
1 1146 . 1 1 A 96 96 VAL CB C 96 31.440 31.522 -0.082 2
1 1149 . 1 1 A 96 96 VAL N N 96 120.925 120.460 0.465 2
1 1150 . 1 1 A 97 97 HIS H H 97 8.603 9.106 -0.503 2
1 1151 . 1 1 A 97 97 HIS HA H 97 5.234 5.146 0.088 2
1 1156 . 1 1 A 97 97 HIS C C 97 174.348 173.540 0.808 2
1 1157 . 1 1 A 97 97 HIS CA C 97 54.404 53.819 0.585 2
1 1158 . 1 1 A 97 97 HIS CB C 97 30.536 31.958 -1.422 2
1 1161 . 1 1 A 97 97 HIS N N 97 124.160 126.792 -2.632 2
1 1162 . 1 1 A 98 98 TYR H H 98 9.267 8.835 0.432 2
1 1163 . 1 1 A 98 98 TYR HA H 98 4.532 4.862 -0.330 2
1 1170 . 1 1 A 98 98 TYR C C 98 173.621 174.538 -0.917 2
1 1171 . 1 1 A 98 98 TYR CA C 98 57.122 56.431 0.691 2
1 1172 . 1 1 A 98 98 TYR CB C 98 41.228 41.935 -0.707 2
1 1177 . 1 1 A 98 98 TYR N N 98 121.543 120.291 1.252 2
1 1178 . 1 1 A 99 99 PHE H H 99 8.861 9.057 -0.196 2
1 1179 . 1 1 A 99 99 PHE HA H 99 4.983 5.197 -0.214 2
1 1186 . 1 1 A 99 99 PHE C C 99 173.754 174.611 -0.857 2
1 1187 . 1 1 A 99 99 PHE CA C 99 57.705 56.728 0.977 2
1 1188 . 1 1 A 99 99 PHE CB C 99 41.516 39.856 1.660 2
1 1193 . 1 1 A 99 99 PHE N N 99 121.699 122.704 -1.004 2
1 1194 . 1 1 A 100 100 LEU H H 100 8.529 8.190 0.339 2
1 1195 . 1 1 A 100 100 LEU HA H 100 5.345 5.362 -0.017 2
1 1205 . 1 1 A 100 100 LEU C C 100 174.942 174.837 0.105 2
1 1206 . 1 1 A 100 100 LEU CA C 100 52.781 52.729 0.052 2
1 1207 . 1 1 A 100 100 LEU CB C 100 44.518 43.794 0.724 2
1 1211 . 1 1 A 100 100 LEU N N 100 123.519 124.723 -1.204 2
1 1212 . 1 1 A 101 101 GLN H H 101 8.717 8.765 -0.048 2
1 1213 . 1 1 A 101 101 GLN HA H 101 4.886 4.937 -0.051 2
1 1220 . 1 1 A 101 101 GLN C C 101 175.390 174.725 0.665 2
1 1221 . 1 1 A 101 101 GLN CA C 101 54.934 54.268 0.666 2
1 1222 . 1 1 A 101 101 GLN CB C 101 32.222 30.876 1.346 2
1 1224 . 1 1 A 101 101 GLN N N 101 117.786 123.625 -5.839 2
1 1226 . 1 1 A 102 102 ALA H H 102 8.256 9.211 -0.955 2
1 1227 . 1 1 A 102 102 ALA HA H 102 4.862 4.835 0.027 2
1 1231 . 1 1 A 102 102 ALA C C 102 176.008 177.971 -1.963 2
1 1232 . 1 1 A 102 102 ALA CA C 102 50.098 51.054 -0.956 2
1 1233 . 1 1 A 102 102 ALA CB C 102 21.606 20.785 0.821 2
1 1234 . 1 1 A 102 102 ALA N N 102 128.068 129.395 -1.327 2
1 1235 . 1 1 A 103 103 ALA H H 103 9.255 8.807 0.448 2
1 1236 . 1 1 A 103 103 ALA HA H 103 4.247 4.146 0.101 2
1 1240 . 1 1 A 103 103 ALA C C 103 178.153 177.804 0.349 2
1 1241 . 1 1 A 103 103 ALA CA C 103 54.369 55.660 -1.291 2
1 1242 . 1 1 A 103 103 ALA CB C 103 20.377 18.814 1.563 2
1 1243 . 1 1 A 103 103 ALA N N 103 120.410 124.438 -4.028 2
1 1244 . 1 1 A 104 104 THR H H 104 7.149 7.842 -0.693 2
1 1245 . 1 1 A 104 104 THR HA H 104 4.846 4.719 0.127 2
1 1250 . 1 1 A 104 104 THR C C 104 173.354 174.138 -0.784 2
1 1251 . 1 1 A 104 104 THR CA C 104 57.810 59.422 -1.611 2
1 1252 . 1 1 A 104 104 THR CB C 104 71.496 70.078 1.418 2
1 1254 . 1 1 A 104 104 THR N N 104 103.106 109.079 -5.973 2
1 1255 . 1 1 A 105 105 PRO HA H 105 4.225 4.601 -0.376 2
1 1262 . 1 1 A 105 105 PRO C C 105 179.704 178.026 1.678 2
1 1263 . 1 1 A 105 105 PRO CA C 105 65.046 64.260 0.786 2
1 1264 . 1 1 A 105 105 PRO CB C 105 31.775 31.852 -0.077 2
1 1267 . 1 1 A 106 106 LYS H H 106 7.764 7.971 -0.207 2
1 1268 . 1 1 A 106 106 LYS HA H 106 4.036 4.092 -0.056 2
1 1277 . 1 1 A 106 106 LYS C C 106 177.959 178.675 -0.716 2
1 1278 . 1 1 A 106 106 LYS CA C 106 59.452 59.250 0.202 2
1 1279 . 1 1 A 106 106 LYS CB C 106 32.797 32.137 0.660 2
1 1283 . 1 1 A 106 106 LYS N N 106 119.261 118.388 0.873 2
1 1284 . 1 1 A 107 107 GLU H H 107 8.005 7.858 0.147 2
1 1285 . 1 1 A 107 107 GLU HA H 107 4.171 4.029 0.142 2
1 1290 . 1 1 A 107 107 GLU C C 107 178.529 178.746 -0.217 2
1 1291 . 1 1 A 107 107 GLU CA C 107 59.310 59.324 -0.014 2
1 1292 . 1 1 A 107 107 GLU CB C 107 31.111 29.241 1.870 2
1 1294 . 1 1 A 107 107 GLU N N 107 119.293 119.014 0.279 2
1 1295 . 1 1 A 108 108 ARG H H 108 7.810 7.542 0.268 2
1 1296 . 1 1 A 108 108 ARG HA H 108 3.603 4.283 -0.680 2
1 1303 . 1 1 A 108 108 ARG C C 108 176.287 178.937 -2.650 2
1 1304 . 1 1 A 108 108 ARG CA C 108 60.598 59.083 1.515 2
1 1305 . 1 1 A 108 108 ARG CB C 108 29.548 30.119 -0.571 2
1 1308 . 1 1 A 108 108 ARG N N 108 118.989 119.837 -0.848 2
1 1309 . 1 1 A 109 109 THR H H 109 8.195 8.090 0.105 2
1 1310 . 1 1 A 109 109 THR HA H 109 3.645 3.801 -0.156 2
1 1315 . 1 1 A 109 109 THR C C 109 176.227 176.655 -0.429 2
1 1316 . 1 1 A 109 109 THR CA C 109 67.022 67.355 -0.333 2
1 1317 . 1 1 A 109 109 THR CB C 109 68.576 68.254 0.322 2
1 1319 . 1 1 A 109 109 THR N N 109 115.975 116.183 -0.208 2
1 1320 . 1 1 A 110 110 GLU H H 110 8.274 8.316 -0.042 2
1 1321 . 1 1 A 110 110 GLU HA H 110 3.794 3.894 -0.100 2
1 1326 . 1 1 A 110 110 GLU C C 110 180.516 179.350 1.166 2
1 1327 . 1 1 A 110 110 GLU CA C 110 59.534 59.682 -0.148 2
1 1328 . 1 1 A 110 110 GLU CB C 110 29.507 29.225 0.282 2
1 1330 . 1 1 A 110 110 GLU N N 110 119.565 119.382 0.183 2
1 1331 . 1 1 A 111 111 TRP H H 111 8.316 8.857 -0.541 2
1 1332 . 1 1 A 111 111 TRP HA H 111 3.912 4.311 -0.399 2
1 1341 . 1 1 A 111 111 TRP C C 111 178.020 178.503 -0.483 2
1 1342 . 1 1 A 111 111 TRP CA C 111 62.464 60.212 2.252 2
1 1343 . 1 1 A 111 111 TRP CB C 111 29.548 29.399 0.149 2
1 1349 . 1 1 A 111 111 TRP N N 111 120.868 120.720 0.148 2
1 1351 . 1 1 A 112 112 ILE H H 112 8.271 7.766 0.505 2
1 1352 . 1 1 A 112 112 ILE HA H 112 3.254 3.545 -0.291 2
1 1362 . 1 1 A 112 112 ILE C C 112 177.669 177.931 -0.262 2
1 1363 . 1 1 A 112 112 ILE CA C 112 67.040 64.928 2.111 2
1 1364 . 1 1 A 112 112 ILE CB C 112 37.856 37.622 0.234 2
1 1368 . 1 1 A 112 112 ILE N N 112 118.862 119.632 -0.770 2
1 1369 . 1 1 A 113 113 LYS H H 113 8.042 8.208 -0.166 2
1 1370 . 1 1 A 113 113 LYS HA H 113 3.991 4.008 -0.017 2
1 1379 . 1 1 A 113 113 LYS C C 113 178.977 179.119 -0.142 2
1 1380 . 1 1 A 113 113 LYS CA C 113 59.328 59.255 0.073 2
1 1381 . 1 1 A 113 113 LYS CB C 113 32.345 32.165 0.180 2
1 1385 . 1 1 A 113 113 LYS N N 113 117.182 119.841 -2.659 2
1 1386 . 1 1 A 114 114 ALA H H 114 7.686 8.740 -1.054 2
1 1387 . 1 1 A 114 114 ALA HA H 114 4.058 4.016 0.042 2
1 1391 . 1 1 A 114 114 ALA C C 114 179.849 179.836 0.013 2
1 1392 . 1 1 A 114 114 ALA CA C 114 55.146 55.107 0.039 2
1 1393 . 1 1 A 114 114 ALA CB C 114 18.362 18.609 -0.247 2
1 1394 . 1 1 A 114 114 ALA N N 114 120.689 121.930 -1.241 2
1 1395 . 1 1 A 115 115 ILE H H 115 8.594 8.980 -0.386 2
1 1396 . 1 1 A 115 115 ILE HA H 115 3.534 3.629 -0.095 2
1 1406 . 1 1 A 115 115 ILE C C 115 178.432 178.190 0.242 2
1 1407 . 1 1 A 115 115 ILE CA C 115 66.016 65.302 0.714 2
1 1408 . 1 1 A 115 115 ILE CB C 115 38.390 37.647 0.743 2
1 1412 . 1 1 A 115 115 ILE N N 115 118.898 117.821 1.077 2
1 1413 . 1 1 A 116 116 GLN H H 116 8.732 8.513 0.219 2
1 1414 . 1 1 A 116 116 GLN HA H 116 3.851 4.300 -0.449 2
1 1421 . 1 1 A 116 116 GLN C C 116 179.655 178.311 1.344 2
1 1422 . 1 1 A 116 116 GLN CA C 116 59.575 58.990 0.585 2
1 1423 . 1 1 A 116 116 GLN CB C 116 28.222 28.564 -0.342 2
1 1425 . 1 1 A 116 116 GLN N N 116 119.877 118.851 1.026 2
1 1427 . 1 1 A 117 117 MET H H 117 8.279 8.407 -0.128 2
1 1428 . 1 1 A 117 117 MET HA H 117 4.155 4.010 0.145 2
1 1436 . 1 1 A 117 117 MET C C 117 179.123 178.132 0.991 2
1 1437 . 1 1 A 117 117 MET CA C 117 58.658 58.474 0.184 2
1 1438 . 1 1 A 117 117 MET CB C 117 31.934 32.449 -0.515 2
1 1441 . 1 1 A 117 117 MET N N 117 118.855 119.277 -0.422 2
1 1442 . 1 1 A 118 118 ALA H H 118 8.266 7.595 0.672 2
1 1443 . 1 1 A 118 118 ALA HA H 118 4.240 4.064 0.176 2
1 1447 . 1 1 A 118 118 ALA C C 118 178.820 179.624 -0.804 2
1 1448 . 1 1 A 118 118 ALA CA C 118 54.604 55.123 -0.519 2
1 1449 . 1 1 A 118 118 ALA CB C 118 18.627 18.832 -0.205 2
1 1450 . 1 1 A 118 118 ALA N N 118 121.702 122.041 -0.339 2
1 1451 . 1 1 A 119 119 SER H H 119 8.073 8.963 -0.890 2
1 1452 . 1 1 A 119 119 SER HA H 119 4.027 4.262 -0.235 2
1 1455 . 1 1 A 119 119 SER C C 119 174.663 177.098 -2.435 2
1 1456 . 1 1 A 119 119 SER CA C 119 60.122 61.640 -1.518 2
1 1457 . 1 1 A 119 119 SER CB C 119 64.299 62.627 1.672 2
1 1458 . 1 1 A 119 119 SER N N 119 110.080 112.825 -2.745 2
1 1459 . 1 1 A 120 120 ARG H H 120 7.345 8.553 -1.208 2
1 1460 . 1 1 A 120 120 ARG HA H 120 4.383 4.128 0.255 2
1 1467 . 1 1 A 120 120 ARG C C 120 176.372 176.774 -0.402 2
1 1468 . 1 1 A 120 120 ARG CA C 120 56.681 58.957 -2.276 2
1 1469 . 1 1 A 120 120 ARG CB C 120 30.248 29.961 0.287 2
1 1472 . 1 1 A 120 120 ARG N N 120 120.244 121.239 -0.995 2
1 1473 . 1 1 A 121 121 THR H H 121 8.070 8.413 -0.343 2
1 1474 . 1 1 A 121 121 THR HA H 121 4.365 4.192 0.172 2
1 1479 . 1 1 A 121 121 THR C C 121 175.281 174.738 0.543 2
1 1480 . 1 1 A 121 121 THR CA C 121 62.557 63.002 -0.445 2
1 1481 . 1 1 A 121 121 THR CB C 121 70.298 68.533 1.765 2
1 1483 . 1 1 A 121 121 THR N N 121 114.024 113.941 0.083 2
1 1484 . 1 1 A 122 122 GLY H H 122 8.520 8.534 -0.014 2
1 1485 . 1 1 A 122 122 GLY HA2 H 122 4.005 3.958 0.047 2
1 1486 . 1 1 A 122 122 GLY HA3 H 122 4.005 3.963 0.042 2
1 1487 . 1 1 A 122 122 GLY C C 122 174.118 174.255 -0.137 2
1 1488 . 1 1 A 122 122 GLY CA C 122 45.351 46.191 -0.840 2
1 1489 . 1 1 A 122 122 GLY N N 122 111.123 111.686 -0.563 2
1 1490 . 1 1 A 123 123 LYS H H 123 8.309 8.081 0.228 2
1 1491 . 1 1 A 123 123 LYS HA H 123 4.364 4.314 0.050 2
1 1500 . 1 1 A 123 123 LYS C C 123 176.772 175.680 1.091 2
1 1501 . 1 1 A 123 123 LYS CA C 123 56.310 57.186 -0.876 2
1 1502 . 1 1 A 123 123 LYS CB C 123 33.167 32.462 0.705 2
1 1506 . 1 1 A 123 123 LYS N N 123 121.100 120.972 0.128 2
1 1507 . 1 1 A 124 124 SER H H 124 8.453 8.571 -0.118 2
1 1508 . 1 1 A 124 124 SER HA H 124 4.489 4.636 -0.147 2
1 1509 . 1 1 A 124 124 SER C C 124 174.518 174.136 0.382 2
1 1510 . 1 1 A 124 124 SER CA C 124 58.357 58.441 -0.084 2
1 1511 . 1 1 A 124 124 SER CB C 124 64.052 63.739 0.313 2
1 1512 . 1 1 A 124 124 SER N N 124 117.316 117.754 -0.438 2
1 1513 . 1 1 A 125 125 GLY H H 125 8.278 8.313 -0.035 2
1 1514 . 1 1 A 125 125 GLY HA2 H 125 4.154 4.135 0.019 2
1 1515 . 1 1 A 125 125 GLY HA3 H 125 4.102 4.136 -0.034 2
1 1516 . 1 1 A 125 125 GLY C C 125 171.827 173.010 -1.183 2
1 1517 . 1 1 A 125 125 GLY CA C 125 44.680 44.854 -0.174 2
1 1518 . 1 1 A 125 125 GLY N N 125 110.670 111.287 -0.617 2
1 1519 . 1 1 A 126 126 PRO HA H 126 4.461 4.567 -0.106 2
1 1526 . 1 1 A 126 126 PRO C C 126 177.426 176.300 1.126 2
1 1527 . 1 1 A 126 126 PRO CA C 126 63.281 63.256 0.025 2
1 1528 . 1 1 A 126 126 PRO CB C 126 32.263 31.396 0.867 2
1 1531 . 1 1 A 127 127 SER H H 127 8.556 8.419 0.137 2
1 1532 . 1 1 A 127 127 SER HA H 127 4.489 4.609 -0.120 2
1 1535 . 1 1 A 127 127 SER C C 127 174.651 173.939 0.712 2
1 1536 . 1 1 A 127 127 SER CA C 127 58.410 58.470 -0.060 2
1 1537 . 1 1 A 127 127 SER CB C 127 63.682 64.058 -0.376 2
1 1538 . 1 1 A 127 127 SER N N 127 116.423 116.178 0.245 2
1 1539 . 1 1 A 128 128 SER H H 128 8.313 8.620 -0.307 2
1 1540 . 1 1 A 128 128 SER HA H 128 4.489 4.563 -0.074 2
1 1543 . 1 1 A 128 128 SER C C 128 173.936 174.220 -0.284 2
1 1544 . 1 1 A 128 128 SER CA C 128 58.393 58.726 -0.333 2
1 1545 . 1 1 A 128 128 SER CB C 128 64.052 63.366 0.686 2
1 1546 . 1 1 A 128 128 SER N N 128 117.750 119.094 -1.344 2
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save_