data_10269_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10269
_Entry.PDB_ID 2EE1
_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 4.447 4.620 -0.173 1
1 3 . 1 1 1 A 6 6 SER C C 6 174.919 173.941 0.978 1
1 4 . 1 1 1 A 6 6 SER CA C 6 58.632 57.298 1.334 1
1 5 . 1 1 1 A 6 6 SER CB C 6 63.826 63.988 -0.162 1
1 6 . 1 1 1 A 7 7 GLY H H 7 8.381 8.506 -0.125 1
1 7 . 1 1 1 A 7 7 GLY HA2 H 7 3.956 4.169 -0.213 1
1 8 . 1 1 1 A 7 7 GLY HA3 H 7 3.907 4.173 -0.266 1
1 9 . 1 1 1 A 7 7 GLY C C 7 173.610 172.034 1.576 1
1 10 . 1 1 1 A 7 7 GLY CA C 7 45.128 45.932 -0.804 1
1 11 . 1 1 1 A 7 7 GLY N N 7 110.672 111.039 -0.367 1
1 12 . 1 1 1 A 8 8 LYS H H 8 7.989 7.986 0.003 1
1 13 . 1 1 1 A 8 8 LYS HA H 8 4.430 4.765 -0.335 1
1 22 . 1 1 1 A 8 8 LYS C C 8 174.322 174.321 0.001 1
1 23 . 1 1 1 A 8 8 LYS CA C 8 53.436 53.093 0.343 1
1 24 . 1 1 1 A 8 8 LYS CB C 8 31.892 34.821 -2.929 1
1 28 . 1 1 1 A 8 8 LYS N N 8 121.270 121.041 0.229 1
1 29 . 1 1 1 A 9 9 PRO HA H 9 4.131 4.627 -0.496 1
1 36 . 1 1 1 A 9 9 PRO C C 9 177.331 175.992 1.339 1
1 37 . 1 1 1 A 9 9 PRO CA C 9 62.970 62.185 0.785 1
1 38 . 1 1 1 A 9 9 PRO CB C 9 31.894 33.187 -1.293 1
1 41 . 1 1 1 A 10 10 GLU H H 10 8.649 8.278 0.371 1
1 42 . 1 1 1 A 10 10 GLU HA H 10 3.960 4.259 -0.299 1
1 47 . 1 1 1 A 10 10 GLU C C 10 175.849 178.620 -2.771 1
1 48 . 1 1 1 A 10 10 GLU CA C 10 58.051 57.942 0.109 1
1 49 . 1 1 1 A 10 10 GLU CB C 10 29.627 30.838 -1.211 1
1 51 . 1 1 1 A 10 10 GLU N N 10 120.707 118.569 2.138 1
1 52 . 1 1 1 A 11 11 TRP H H 11 7.131 8.206 -1.075 1
1 53 . 1 1 1 A 11 11 TRP HA H 11 4.548 4.532 0.016 1
1 62 . 1 1 1 A 11 11 TRP C C 11 176.362 176.695 -0.333 1
1 63 . 1 1 1 A 11 11 TRP CA C 11 55.758 59.249 -3.491 1
1 64 . 1 1 1 A 11 11 TRP CB C 11 29.285 28.054 1.231 1
1 70 . 1 1 1 A 11 11 TRP N N 11 115.904 118.500 -2.596 1
1 72 . 1 1 1 A 12 12 MET H H 12 7.289 6.972 0.317 1
1 73 . 1 1 1 A 12 12 MET HA H 12 4.054 3.882 0.172 1
1 81 . 1 1 1 A 12 12 MET C C 12 174.357 175.950 -1.593 1
1 82 . 1 1 1 A 12 12 MET CA C 12 55.900 54.012 1.888 1
1 83 . 1 1 1 A 12 12 MET CB C 12 31.808 32.051 -0.243 1
1 86 . 1 1 1 A 12 12 MET N N 12 122.155 121.151 1.004 1
1 87 . 1 1 1 A 13 13 MET H H 13 8.569 9.086 -0.517 1
1 88 . 1 1 1 A 13 13 MET HA H 13 4.890 5.292 -0.402 1
1 96 . 1 1 1 A 13 13 MET C C 13 175.898 174.621 1.277 1
1 97 . 1 1 1 A 13 13 MET CA C 13 53.784 53.776 0.008 1
1 98 . 1 1 1 A 13 13 MET CB C 13 35.100 37.253 -2.153 1
1 101 . 1 1 1 A 13 13 MET N N 13 121.084 122.939 -1.855 1
1 102 . 1 1 1 A 14 14 ILE H H 14 9.144 8.678 0.466 1
1 103 . 1 1 1 A 14 14 ILE HA H 14 2.912 4.312 -1.400 1
1 113 . 1 1 1 A 14 14 ILE C C 14 174.810 176.046 -1.236 1
1 114 . 1 1 1 A 14 14 ILE CA C 14 63.803 60.366 3.437 1
1 115 . 1 1 1 A 14 14 ILE CB C 14 38.974 37.830 1.144 1
1 119 . 1 1 1 A 14 14 ILE N N 14 125.919 121.373 4.546 1
1 120 . 1 1 1 A 15 15 HIS H H 15 8.926 8.499 0.427 1
1 121 . 1 1 1 A 15 15 HIS HA H 15 4.690 4.188 0.502 1
1 125 . 1 1 1 A 15 15 HIS C C 15 174.715 174.920 -0.205 1
1 126 . 1 1 1 A 15 15 HIS CA C 15 55.829 59.958 -4.129 1
1 127 . 1 1 1 A 15 15 HIS CB C 15 33.853 30.595 3.258 1
1 129 . 1 1 1 A 15 15 HIS N N 15 125.470 128.517 -3.047 1
1 130 . 1 1 1 A 16 16 ARG H H 16 7.529 7.635 -0.106 1
1 131 . 1 1 1 A 16 16 ARG HA H 16 4.193 4.879 -0.686 1
1 138 . 1 1 1 A 16 16 ARG C C 16 173.315 174.697 -1.382 1
1 139 . 1 1 1 A 16 16 ARG CA C 16 55.329 55.416 -0.087 1
1 140 . 1 1 1 A 16 16 ARG CB C 16 33.252 32.938 0.314 1
1 143 . 1 1 1 A 16 16 ARG N N 16 111.315 113.879 -2.564 1
1 144 . 1 1 1 A 17 17 ILE H H 17 8.396 8.865 -0.469 1
1 145 . 1 1 1 A 17 17 ILE HA H 17 4.052 3.899 0.153 1
1 155 . 1 1 1 A 17 17 ILE C C 17 175.341 175.167 0.174 1
1 156 . 1 1 1 A 17 17 ILE CA C 17 61.859 61.656 0.203 1
1 157 . 1 1 1 A 17 17 ILE CB C 17 37.952 36.627 1.325 1
1 161 . 1 1 1 A 17 17 ILE N N 17 121.157 123.924 -2.767 1
1 162 . 1 1 1 A 18 18 LEU H H 18 9.102 8.533 0.569 1
1 163 . 1 1 1 A 18 18 LEU HA H 18 4.253 3.988 0.265 1
1 173 . 1 1 1 A 18 18 LEU C C 18 176.622 176.356 0.266 1
1 174 . 1 1 1 A 18 18 LEU CA C 18 55.422 56.757 -1.335 1
1 175 . 1 1 1 A 18 18 LEU CB C 18 43.410 42.199 1.211 1
1 179 . 1 1 1 A 18 18 LEU N N 18 124.326 129.508 -5.182 1
1 180 . 1 1 1 A 19 19 ASN H H 19 7.343 7.393 -0.050 1
1 181 . 1 1 1 A 19 19 ASN HA H 19 5.227 4.992 0.235 1
1 186 . 1 1 1 A 19 19 ASN C C 19 172.527 173.326 -0.799 1
1 187 . 1 1 1 A 19 19 ASN CA C 19 51.140 52.326 -1.186 1
1 188 . 1 1 1 A 19 19 ASN CB C 19 40.795 41.851 -1.056 1
1 189 . 1 1 1 A 19 19 ASN N N 19 113.895 111.809 2.086 1
1 191 . 1 1 1 A 20 20 HIS H H 20 8.816 8.961 -0.145 1
1 192 . 1 1 1 A 20 20 HIS HA H 20 5.875 6.150 -0.275 1
1 197 . 1 1 1 A 20 20 HIS C C 20 173.013 172.683 0.330 1
1 198 . 1 1 1 A 20 20 HIS CA C 20 55.932 54.369 1.563 1
1 199 . 1 1 1 A 20 20 HIS CB C 20 35.190 33.805 1.385 1
1 202 . 1 1 1 A 20 20 HIS N N 20 118.537 116.878 1.659 1
1 203 . 1 1 1 A 21 21 SER H H 21 9.203 8.865 0.338 1
1 204 . 1 1 1 A 21 21 SER HA H 21 4.399 4.671 -0.272 1
1 207 . 1 1 1 A 21 21 SER C C 21 172.382 172.883 -0.501 1
1 208 . 1 1 1 A 21 21 SER CA C 21 57.063 56.584 0.479 1
1 209 . 1 1 1 A 21 21 SER CB C 21 65.417 65.466 -0.049 1
1 210 . 1 1 1 A 21 21 SER N N 21 115.006 114.404 0.602 1
1 211 . 1 1 1 A 22 22 VAL H H 22 8.493 8.931 -0.438 1
1 212 . 1 1 1 A 22 22 VAL HA H 22 4.961 4.569 0.392 1
1 220 . 1 1 1 A 22 22 VAL C C 22 176.199 175.395 0.804 1
1 221 . 1 1 1 A 22 22 VAL CA C 22 61.066 61.446 -0.380 1
1 222 . 1 1 1 A 22 22 VAL CB C 22 33.732 33.011 0.721 1
1 225 . 1 1 1 A 22 22 VAL N N 22 124.080 125.229 -1.149 1
1 226 . 1 1 1 A 23 23 ASP H H 23 8.667 8.080 0.587 1
1 227 . 1 1 1 A 23 23 ASP HA H 23 4.688 4.486 0.202 1
1 230 . 1 1 1 A 23 23 ASP C C 23 178.629 176.330 2.299 1
1 231 . 1 1 1 A 23 23 ASP CA C 23 52.814 53.683 -0.869 1
1 232 . 1 1 1 A 23 23 ASP CB C 23 41.525 41.741 -0.216 1
1 233 . 1 1 1 A 23 23 ASP N N 23 127.673 128.558 -0.885 1
1 234 . 1 1 1 A 24 24 LYS H H 24 8.242 8.817 -0.575 1
1 235 . 1 1 1 A 24 24 LYS HA H 24 4.077 3.932 0.145 1
1 244 . 1 1 1 A 24 24 LYS C C 24 177.637 178.349 -0.712 1
1 245 . 1 1 1 A 24 24 LYS CA C 24 58.419 59.379 -0.960 1
1 246 . 1 1 1 A 24 24 LYS CB C 24 32.057 32.088 -0.031 1
1 250 . 1 1 1 A 24 24 LYS N N 24 116.378 121.261 -4.883 1
1 251 . 1 1 1 A 25 25 LYS H H 25 8.128 7.587 0.541 1
1 252 . 1 1 1 A 25 25 LYS HA H 25 4.379 4.112 0.267 1
1 261 . 1 1 1 A 25 25 LYS C C 25 176.600 176.459 0.141 1
1 262 . 1 1 1 A 25 25 LYS CA C 25 55.411 57.033 -1.622 1
1 263 . 1 1 1 A 25 25 LYS CB C 25 32.516 32.970 -0.454 1
1 267 . 1 1 1 A 25 25 LYS N N 25 118.184 116.063 2.121 1
1 268 . 1 1 1 A 26 26 GLY H H 26 8.040 8.033 0.007 1
1 269 . 1 1 1 A 26 26 GLY HA2 H 26 4.125 4.042 0.083 1
1 270 . 1 1 1 A 26 26 GLY HA3 H 26 3.428 4.079 -0.651 1
1 271 . 1 1 1 A 26 26 GLY C C 26 174.048 174.877 -0.829 1
1 272 . 1 1 1 A 26 26 GLY CA C 26 45.235 45.365 -0.130 1
1 273 . 1 1 1 A 26 26 GLY N N 26 108.208 105.751 2.457 1
1 274 . 1 1 1 A 27 27 HIS H H 27 8.599 8.037 0.562 1
1 275 . 1 1 1 A 27 27 HIS HA H 27 4.491 4.479 0.012 1
1 279 . 1 1 1 A 27 27 HIS C C 27 174.516 174.535 -0.019 1
1 280 . 1 1 1 A 27 27 HIS CA C 27 55.935 57.212 -1.277 1
1 281 . 1 1 1 A 27 27 HIS CB C 27 29.257 30.302 -1.045 1
1 283 . 1 1 1 A 27 27 HIS N N 27 123.031 118.932 4.099 1
1 284 . 1 1 1 A 28 28 VAL H H 28 8.330 8.520 -0.190 1
1 285 . 1 1 1 A 28 28 VAL HA H 28 4.776 3.973 0.803 1
1 293 . 1 1 1 A 28 28 VAL C C 28 174.798 175.513 -0.715 1
1 294 . 1 1 1 A 28 28 VAL CA C 28 62.070 62.964 -0.894 1
1 295 . 1 1 1 A 28 28 VAL CB C 28 32.965 31.959 1.006 1
1 298 . 1 1 1 A 28 28 VAL N N 28 127.641 125.003 2.638 1
1 299 . 1 1 1 A 29 29 HIS H H 29 8.887 9.540 -0.653 1
1 300 . 1 1 1 A 29 29 HIS HA H 29 5.071 5.482 -0.411 1
1 305 . 1 1 1 A 29 29 HIS C C 29 173.998 174.101 -0.103 1
1 306 . 1 1 1 A 29 29 HIS CA C 29 54.841 53.757 1.084 1
1 307 . 1 1 1 A 29 29 HIS CB C 29 33.921 32.532 1.389 1
1 310 . 1 1 1 A 29 29 HIS N N 29 124.946 126.594 -1.648 1
1 311 . 1 1 1 A 30 30 TYR H H 30 9.630 9.565 0.065 1
1 312 . 1 1 1 A 30 30 TYR HA H 30 5.092 5.184 -0.092 1
1 319 . 1 1 1 A 30 30 TYR C C 30 173.451 174.737 -1.286 1
1 320 . 1 1 1 A 30 30 TYR CA C 30 57.627 56.727 0.900 1
1 321 . 1 1 1 A 30 30 TYR CB C 30 41.124 40.551 0.573 1
1 326 . 1 1 1 A 30 30 TYR N N 30 119.246 121.162 -1.916 1
1 327 . 1 1 1 A 31 31 LEU H H 31 7.804 8.855 -1.051 1
1 328 . 1 1 1 A 31 31 LEU HA H 31 3.561 3.505 0.056 1
1 338 . 1 1 1 A 31 31 LEU C C 31 173.742 174.619 -0.877 1
1 339 . 1 1 1 A 31 31 LEU CA C 31 53.120 54.256 -1.136 1
1 340 . 1 1 1 A 31 31 LEU CB C 31 39.479 40.939 -1.460 1
1 344 . 1 1 1 A 31 31 LEU N N 31 125.982 126.432 -0.450 1
1 345 . 1 1 1 A 32 32 ILE H H 32 8.861 8.011 0.850 1
1 346 . 1 1 1 A 32 32 ILE HA H 32 3.402 3.955 -0.553 1
1 356 . 1 1 1 A 32 32 ILE C C 32 173.769 174.669 -0.900 1
1 357 . 1 1 1 A 32 32 ILE CA C 32 61.356 60.958 0.398 1
1 358 . 1 1 1 A 32 32 ILE CB C 32 39.405 37.463 1.942 1
1 362 . 1 1 1 A 32 32 ILE N N 32 129.827 127.362 2.465 1
1 363 . 1 1 1 A 33 33 LYS H H 33 7.951 8.565 -0.614 1
1 364 . 1 1 1 A 33 33 LYS HA H 33 4.111 4.545 -0.434 1
1 373 . 1 1 1 A 33 33 LYS C C 33 174.920 175.108 -0.188 1
1 374 . 1 1 1 A 33 33 LYS CA C 33 54.849 54.521 0.328 1
1 375 . 1 1 1 A 33 33 LYS CB C 33 33.162 33.474 -0.312 1
1 379 . 1 1 1 A 33 33 LYS N N 33 124.612 126.649 -2.037 1
1 380 . 1 1 1 A 34 34 TRP H H 34 8.145 8.289 -0.144 1
1 381 . 1 1 1 A 34 34 TRP HA H 34 4.690 4.600 0.090 1
1 390 . 1 1 1 A 34 34 TRP C C 34 177.144 177.238 -0.094 1
1 391 . 1 1 1 A 34 34 TRP CA C 34 55.582 58.442 -2.860 1
1 392 . 1 1 1 A 34 34 TRP CB C 34 30.832 29.401 1.431 1
1 398 . 1 1 1 A 34 34 TRP N N 34 132.766 127.588 5.178 1
1 400 . 1 1 1 A 35 35 ARG H H 35 9.199 8.703 0.496 1
1 401 . 1 1 1 A 35 35 ARG HA H 35 3.742 4.274 -0.532 1
1 408 . 1 1 1 A 35 35 ARG C C 35 176.307 178.112 -1.805 1
1 409 . 1 1 1 A 35 35 ARG CA C 35 58.738 60.263 -1.525 1
1 410 . 1 1 1 A 35 35 ARG CB C 35 30.254 30.188 0.066 1
1 413 . 1 1 1 A 35 35 ARG N N 35 124.433 126.340 -1.907 1
1 414 . 1 1 1 A 36 36 ASP H H 36 8.812 8.404 0.408 1
1 415 . 1 1 1 A 36 36 ASP HA H 36 4.294 4.479 -0.185 1
1 418 . 1 1 1 A 36 36 ASP C C 36 174.269 176.650 -2.381 1
1 419 . 1 1 1 A 36 36 ASP CA C 36 55.948 57.769 -1.821 1
1 420 . 1 1 1 A 36 36 ASP CB C 36 39.960 41.907 -1.947 1
1 421 . 1 1 1 A 36 36 ASP N N 36 115.622 119.482 -3.860 1
1 422 . 1 1 1 A 37 37 LEU H H 37 7.372 7.920 -0.548 1
1 423 . 1 1 1 A 37 37 LEU HA H 37 4.966 4.526 0.440 1
1 433 . 1 1 1 A 37 37 LEU C C 37 174.638 174.904 -0.266 1
1 434 . 1 1 1 A 37 37 LEU CA C 37 51.968 53.268 -1.300 1
1 435 . 1 1 1 A 37 37 LEU CB C 37 44.421 41.393 3.028 1
1 439 . 1 1 1 A 37 37 LEU N N 37 119.137 120.303 -1.166 1
1 440 . 1 1 1 A 38 38 PRO HA H 38 4.559 4.603 -0.044 1
1 447 . 1 1 1 A 38 38 PRO C C 38 178.256 176.428 1.828 1
1 448 . 1 1 1 A 38 38 PRO CA C 38 62.332 62.383 -0.051 1
1 449 . 1 1 1 A 38 38 PRO CB C 38 33.232 33.393 -0.161 1
1 452 . 1 1 1 A 39 39 TYR H H 39 8.933 8.874 0.059 1
1 453 . 1 1 1 A 39 39 TYR HA H 39 3.758 4.075 -0.317 1
1 460 . 1 1 1 A 39 39 TYR C C 39 177.241 177.443 -0.202 1
1 461 . 1 1 1 A 39 39 TYR CA C 39 62.934 61.186 1.748 1
1 462 . 1 1 1 A 39 39 TYR CB C 39 38.451 38.906 -0.455 1
1 467 . 1 1 1 A 39 39 TYR N N 39 122.113 121.955 0.158 1
1 468 . 1 1 1 A 40 40 ASP H H 40 8.439 8.524 -0.085 1
1 469 . 1 1 1 A 40 40 ASP HA H 40 4.407 4.381 0.026 1
1 472 . 1 1 1 A 40 40 ASP C C 40 176.645 177.227 -0.582 1
1 473 . 1 1 1 A 40 40 ASP CA C 40 55.335 56.564 -1.229 1
1 474 . 1 1 1 A 40 40 ASP CB C 40 39.476 40.482 -1.006 1
1 475 . 1 1 1 A 40 40 ASP N N 40 115.019 119.037 -4.018 1
1 476 . 1 1 1 A 41 41 GLN H H 41 7.761 7.613 0.148 1
1 477 . 1 1 1 A 41 41 GLN HA H 41 4.457 4.389 0.068 1
1 484 . 1 1 1 A 41 41 GLN C C 41 175.665 176.115 -0.450 1
1 485 . 1 1 1 A 41 41 GLN CA C 41 55.031 55.957 -0.926 1
1 486 . 1 1 1 A 41 41 GLN CB C 41 29.606 29.839 -0.233 1
1 488 . 1 1 1 A 41 41 GLN N N 41 117.630 116.505 1.125 1
1 490 . 1 1 1 A 42 42 ALA H H 42 7.379 7.311 0.068 1
1 491 . 1 1 1 A 42 42 ALA HA H 42 4.776 4.128 0.648 1
1 495 . 1 1 1 A 42 42 ALA C C 42 177.103 176.767 0.336 1
1 496 . 1 1 1 A 42 42 ALA CA C 42 53.572 52.906 0.666 1
1 497 . 1 1 1 A 42 42 ALA CB C 42 18.951 18.990 -0.039 1
1 498 . 1 1 1 A 42 42 ALA N N 42 123.425 123.582 -0.157 1
1 499 . 1 1 1 A 43 43 SER H H 43 8.521 8.110 0.411 1
1 500 . 1 1 1 A 43 43 SER HA H 43 4.861 5.059 -0.198 1
1 503 . 1 1 1 A 43 43 SER C C 43 172.947 172.883 0.064 1
1 504 . 1 1 1 A 43 43 SER CA C 43 56.852 56.307 0.545 1
1 505 . 1 1 1 A 43 43 SER CB C 43 66.734 66.697 0.037 1
1 506 . 1 1 1 A 43 43 SER N N 43 115.967 114.831 1.136 1
1 507 . 1 1 1 A 44 44 TRP H H 44 8.699 8.866 -0.167 1
1 508 . 1 1 1 A 44 44 TRP HA H 44 5.081 5.230 -0.149 1
1 517 . 1 1 1 A 44 44 TRP C C 44 177.207 176.148 1.059 1
1 518 . 1 1 1 A 44 44 TRP CA C 44 56.648 56.170 0.478 1
1 519 . 1 1 1 A 44 44 TRP CB C 44 29.592 30.679 -1.087 1
1 525 . 1 1 1 A 44 44 TRP N N 44 123.015 122.997 0.018 1
1 527 . 1 1 1 A 45 45 GLU H H 45 9.773 8.732 1.041 1
1 528 . 1 1 1 A 45 45 GLU HA H 45 5.156 4.799 0.357 1
1 533 . 1 1 1 A 45 45 GLU C C 45 176.249 175.735 0.514 1
1 534 . 1 1 1 A 45 45 GLU CA C 45 53.378 54.736 -1.358 1
1 535 . 1 1 1 A 45 45 GLU CB C 45 31.950 32.620 -0.670 1
1 537 . 1 1 1 A 45 45 GLU N N 45 122.799 123.738 -0.939 1
1 538 . 1 1 1 A 46 46 SER H H 46 9.121 8.600 0.521 1
1 539 . 1 1 1 A 46 46 SER HA H 46 4.106 4.481 -0.375 1
1 542 . 1 1 1 A 46 46 SER C C 46 178.218 175.981 2.237 1
1 543 . 1 1 1 A 46 46 SER CA C 46 58.791 58.256 0.535 1
1 544 . 1 1 1 A 46 46 SER CB C 46 63.100 63.951 -0.851 1
1 545 . 1 1 1 A 46 46 SER N N 46 116.892 120.916 -4.024 1
1 546 . 1 1 1 A 47 47 GLU H H 47 8.588 9.163 -0.575 1
1 547 . 1 1 1 A 47 47 GLU HA H 47 4.327 4.629 -0.302 1
1 552 . 1 1 1 A 47 47 GLU C C 47 174.707 176.935 -2.228 1
1 553 . 1 1 1 A 47 47 GLU CA C 47 58.693 57.852 0.841 1
1 554 . 1 1 1 A 47 47 GLU CB C 47 29.990 28.755 1.235 1
1 556 . 1 1 1 A 47 47 GLU N N 47 125.534 123.999 1.535 1
1 557 . 1 1 1 A 48 48 ASP H H 48 8.415 8.156 0.259 1
1 558 . 1 1 1 A 48 48 ASP HA H 48 4.847 4.896 -0.049 1
1 561 . 1 1 1 A 48 48 ASP C C 48 176.853 176.009 0.844 1
1 562 . 1 1 1 A 48 48 ASP CA C 48 54.472 55.586 -1.114 1
1 563 . 1 1 1 A 48 48 ASP CB C 48 41.795 42.113 -0.318 1
1 564 . 1 1 1 A 48 48 ASP N N 48 117.812 120.084 -2.272 1
1 565 . 1 1 1 A 49 49 VAL H H 49 7.192 7.566 -0.374 1
1 566 . 1 1 1 A 49 49 VAL HA H 49 4.137 4.050 0.087 1
1 574 . 1 1 1 A 49 49 VAL C C 49 175.326 175.753 -0.427 1
1 575 . 1 1 1 A 49 49 VAL CA C 49 62.987 62.291 0.696 1
1 576 . 1 1 1 A 49 49 VAL CB C 49 32.759 32.179 0.580 1
1 579 . 1 1 1 A 49 49 VAL N N 49 118.329 116.819 1.510 1
1 580 . 1 1 1 A 50 50 GLU H H 50 8.417 8.502 -0.085 1
1 581 . 1 1 1 A 50 50 GLU HA H 50 4.526 4.859 -0.333 1
1 586 . 1 1 1 A 50 50 GLU C C 50 175.395 176.044 -0.649 1
1 587 . 1 1 1 A 50 50 GLU CA C 50 56.376 55.528 0.848 1
1 588 . 1 1 1 A 50 50 GLU CB C 50 29.216 30.638 -1.422 1
1 590 . 1 1 1 A 50 50 GLU N N 50 124.475 123.953 0.522 1
1 591 . 1 1 1 A 51 51 ILE H H 51 7.483 8.514 -1.031 1
1 592 . 1 1 1 A 51 51 ILE HA H 51 4.068 4.625 -0.557 1
1 602 . 1 1 1 A 51 51 ILE C C 51 175.838 174.879 0.959 1
1 603 . 1 1 1 A 51 51 ILE CA C 51 60.572 59.558 1.014 1
1 604 . 1 1 1 A 51 51 ILE CB C 51 41.701 41.200 0.501 1
1 608 . 1 1 1 A 51 51 ILE N N 51 125.565 125.670 -0.105 1
1 609 . 1 1 1 A 52 52 GLN H H 52 9.055 8.428 0.627 1
1 610 . 1 1 1 A 52 52 GLN HA H 52 4.042 3.913 0.129 1
1 617 . 1 1 1 A 52 52 GLN C C 52 176.011 176.255 -0.244 1
1 618 . 1 1 1 A 52 52 GLN CA C 52 58.264 57.421 0.843 1
1 619 . 1 1 1 A 52 52 GLN CB C 52 28.458 28.396 0.062 1
1 621 . 1 1 1 A 52 52 GLN N N 52 130.354 124.504 5.850 1
1 623 . 1 1 1 A 53 53 ASP H H 53 9.244 9.467 -0.223 1
1 624 . 1 1 1 A 53 53 ASP HA H 53 4.529 4.345 0.184 1
1 627 . 1 1 1 A 53 53 ASP C C 53 176.419 175.812 0.607 1
1 628 . 1 1 1 A 53 53 ASP CA C 53 56.605 55.510 1.095 1
1 629 . 1 1 1 A 53 53 ASP CB C 53 39.788 39.283 0.505 1
1 630 . 1 1 1 A 53 53 ASP N N 53 119.289 122.169 -2.880 1
1 631 . 1 1 1 A 54 54 TYR H H 54 7.920 8.254 -0.334 1
1 632 . 1 1 1 A 54 54 TYR HA H 54 4.388 4.359 0.029 1
1 639 . 1 1 1 A 54 54 TYR C C 54 178.807 177.581 1.226 1
1 640 . 1 1 1 A 54 54 TYR CA C 54 57.557 61.086 -3.529 1
1 641 . 1 1 1 A 54 54 TYR CB C 54 37.745 38.709 -0.964 1
1 646 . 1 1 1 A 54 54 TYR N N 54 120.852 119.276 1.576 1
1 647 . 1 1 1 A 55 55 ASP H H 55 8.942 8.061 0.881 1
1 648 . 1 1 1 A 55 55 ASP HA H 55 4.155 4.165 -0.010 1
1 651 . 1 1 1 A 55 55 ASP C C 55 178.492 179.084 -0.592 1
1 652 . 1 1 1 A 55 55 ASP CA C 55 57.839 57.253 0.586 1
1 653 . 1 1 1 A 55 55 ASP CB C 55 39.955 40.330 -0.375 1
1 654 . 1 1 1 A 55 55 ASP N N 55 114.884 120.045 -5.161 1
1 655 . 1 1 1 A 56 56 LEU H H 56 7.585 8.427 -0.842 1
1 656 . 1 1 1 A 56 56 LEU HA H 56 3.968 3.904 0.064 1
1 666 . 1 1 1 A 56 56 LEU C C 56 180.237 179.247 0.990 1
1 667 . 1 1 1 A 56 56 LEU CA C 56 57.892 58.109 -0.217 1
1 668 . 1 1 1 A 56 56 LEU CB C 56 41.204 42.543 -1.339 1
1 672 . 1 1 1 A 56 56 LEU N N 56 121.328 120.541 0.787 1
1 673 . 1 1 1 A 57 57 PHE H H 57 7.735 8.284 -0.549 1
1 674 . 1 1 1 A 57 57 PHE HA H 57 4.182 4.183 -0.001 1
1 682 . 1 1 1 A 57 57 PHE C C 57 179.437 178.174 1.263 1
1 683 . 1 1 1 A 57 57 PHE CA C 57 62.756 60.944 1.812 1
1 684 . 1 1 1 A 57 57 PHE CB C 57 38.803 38.813 -0.010 1
1 690 . 1 1 1 A 57 57 PHE N N 57 118.200 117.438 0.762 1
1 691 . 1 1 1 A 58 58 LYS H H 58 8.834 7.879 0.955 1
1 692 . 1 1 1 A 58 58 LYS HA H 58 3.515 3.569 -0.054 1
1 701 . 1 1 1 A 58 58 LYS C C 58 177.565 179.097 -1.532 1
1 702 . 1 1 1 A 58 58 LYS CA C 58 60.851 59.499 1.352 1
1 703 . 1 1 1 A 58 58 LYS CB C 58 33.102 31.714 1.388 1
1 707 . 1 1 1 A 58 58 LYS N N 58 123.283 118.230 5.053 1
1 708 . 1 1 1 A 59 59 GLN H H 59 7.955 7.897 0.058 1
1 709 . 1 1 1 A 59 59 GLN HA H 59 4.104 4.203 -0.099 1
1 716 . 1 1 1 A 59 59 GLN C C 59 178.948 178.250 0.698 1
1 717 . 1 1 1 A 59 59 GLN CA C 59 59.249 58.871 0.378 1
1 718 . 1 1 1 A 59 59 GLN CB C 59 28.185 28.575 -0.390 1
1 720 . 1 1 1 A 59 59 GLN N N 59 117.353 119.966 -2.613 1
1 722 . 1 1 1 A 60 60 SER H H 60 7.821 8.040 -0.219 1
1 723 . 1 1 1 A 60 60 SER HA H 60 4.233 4.182 0.051 1
1 726 . 1 1 1 A 60 60 SER C C 60 176.403 176.357 0.046 1
1 727 . 1 1 1 A 60 60 SER CA C 60 60.954 61.637 -0.683 1
1 728 . 1 1 1 A 60 60 SER CB C 60 63.007 63.230 -0.223 1
1 729 . 1 1 1 A 60 60 SER N N 60 112.660 114.531 -1.871 1
1 730 . 1 1 1 A 61 61 TYR H H 61 7.858 8.298 -0.440 1
1 731 . 1 1 1 A 61 61 TYR HA H 61 4.084 4.052 0.032 1
1 734 . 1 1 1 A 61 61 TYR C C 61 177.358 177.327 0.031 1
1 735 . 1 1 1 A 61 61 TYR CA C 61 61.217 62.078 -0.861 1
1 736 . 1 1 1 A 61 61 TYR CB C 61 38.470 38.483 -0.013 1
1 739 . 1 1 1 A 61 61 TYR N N 61 122.550 121.684 0.866 1
1 740 . 1 1 1 A 62 62 TRP H H 62 7.754 7.528 0.226 1
1 741 . 1 1 1 A 62 62 TRP HA H 62 4.273 4.133 0.140 1
1 750 . 1 1 1 A 62 62 TRP C C 62 176.694 179.060 -2.366 1
1 751 . 1 1 1 A 62 62 TRP CA C 62 58.061 60.319 -2.258 1
1 752 . 1 1 1 A 62 62 TRP CB C 62 30.047 29.327 0.720 1
1 758 . 1 1 1 A 62 62 TRP N N 62 116.320 119.786 -3.466 1
1 760 . 1 1 1 A 63 63 ASN H H 63 7.800 8.434 -0.634 1
1 761 . 1 1 1 A 63 63 ASN HA H 63 4.688 4.361 0.327 1
1 766 . 1 1 1 A 63 63 ASN C C 63 174.055 177.134 -3.079 1
1 767 . 1 1 1 A 63 63 ASN CA C 63 53.484 56.487 -3.003 1
1 768 . 1 1 1 A 63 63 ASN CB C 63 38.645 37.933 0.712 1
1 769 . 1 1 1 A 63 63 ASN N N 63 117.543 117.704 -0.161 1
1 1 . 2 1 1 A 6 6 SER HA H 6 4.447 4.675 -0.228 1
1 3 . 2 1 1 A 6 6 SER C C 6 174.919 174.107 0.812 1
1 4 . 2 1 1 A 6 6 SER CA C 6 58.632 57.961 0.671 1
1 5 . 2 1 1 A 6 6 SER CB C 6 63.826 62.017 1.809 1
1 6 . 2 1 1 A 7 7 GLY H H 7 8.381 8.266 0.115 1
1 7 . 2 1 1 A 7 7 GLY HA2 H 7 3.956 4.125 -0.169 1
1 8 . 2 1 1 A 7 7 GLY HA3 H 7 3.907 4.126 -0.219 1
1 9 . 2 1 1 A 7 7 GLY C C 7 173.610 171.726 1.884 1
1 10 . 2 1 1 A 7 7 GLY CA C 7 45.128 45.636 -0.508 1
1 11 . 2 1 1 A 7 7 GLY N N 7 110.672 111.521 -0.849 1
1 12 . 2 1 1 A 8 8 LYS H H 8 7.989 8.203 -0.214 1
1 13 . 2 1 1 A 8 8 LYS HA H 8 4.430 4.450 -0.020 1
1 22 . 2 1 1 A 8 8 LYS C C 8 174.322 174.461 -0.139 1
1 23 . 2 1 1 A 8 8 LYS CA C 8 53.436 54.680 -1.244 1
1 24 . 2 1 1 A 8 8 LYS CB C 8 31.892 31.673 0.219 1
1 28 . 2 1 1 A 8 8 LYS N N 8 121.270 120.097 1.173 1
1 29 . 2 1 1 A 9 9 PRO HA H 9 4.131 4.530 -0.399 1
1 36 . 2 1 1 A 9 9 PRO C C 9 177.331 176.703 0.628 1
1 37 . 2 1 1 A 9 9 PRO CA C 9 62.970 62.668 0.302 1
1 38 . 2 1 1 A 9 9 PRO CB C 9 31.894 32.594 -0.700 1
1 41 . 2 1 1 A 10 10 GLU H H 10 8.649 8.545 0.104 1
1 42 . 2 1 1 A 10 10 GLU HA H 10 3.960 3.999 -0.039 1
1 47 . 2 1 1 A 10 10 GLU C C 10 175.849 178.698 -2.849 1
1 48 . 2 1 1 A 10 10 GLU CA C 10 58.051 58.855 -0.804 1
1 49 . 2 1 1 A 10 10 GLU CB C 10 29.627 29.741 -0.114 1
1 51 . 2 1 1 A 10 10 GLU N N 10 120.707 121.357 -0.650 1
1 52 . 2 1 1 A 11 11 TRP H H 11 7.131 8.197 -1.066 1
1 53 . 2 1 1 A 11 11 TRP HA H 11 4.548 4.503 0.045 1
1 62 . 2 1 1 A 11 11 TRP C C 11 176.362 176.771 -0.409 1
1 63 . 2 1 1 A 11 11 TRP CA C 11 55.758 60.020 -4.262 1
1 64 . 2 1 1 A 11 11 TRP CB C 11 29.285 28.123 1.162 1
1 70 . 2 1 1 A 11 11 TRP N N 11 115.904 119.352 -3.448 1
1 72 . 2 1 1 A 12 12 MET H H 12 7.289 6.905 0.384 1
1 73 . 2 1 1 A 12 12 MET HA H 12 4.054 3.950 0.104 1
1 81 . 2 1 1 A 12 12 MET C C 12 174.357 175.822 -1.465 1
1 82 . 2 1 1 A 12 12 MET CA C 12 55.900 54.687 1.213 1
1 83 . 2 1 1 A 12 12 MET CB C 12 31.808 31.783 0.025 1
1 86 . 2 1 1 A 12 12 MET N N 12 122.155 120.931 1.224 1
1 87 . 2 1 1 A 13 13 MET H H 13 8.569 9.001 -0.432 1
1 88 . 2 1 1 A 13 13 MET HA H 13 4.890 5.328 -0.438 1
1 96 . 2 1 1 A 13 13 MET C C 13 175.898 174.652 1.246 1
1 97 . 2 1 1 A 13 13 MET CA C 13 53.784 53.843 -0.059 1
1 98 . 2 1 1 A 13 13 MET CB C 13 35.100 37.118 -2.018 1
1 101 . 2 1 1 A 13 13 MET N N 13 121.084 121.893 -0.809 1
1 102 . 2 1 1 A 14 14 ILE H H 14 9.144 8.610 0.534 1
1 103 . 2 1 1 A 14 14 ILE HA H 14 2.912 4.309 -1.397 1
1 113 . 2 1 1 A 14 14 ILE C C 14 174.810 176.133 -1.323 1
1 114 . 2 1 1 A 14 14 ILE CA C 14 63.803 60.266 3.537 1
1 115 . 2 1 1 A 14 14 ILE CB C 14 38.974 38.378 0.596 1
1 119 . 2 1 1 A 14 14 ILE N N 14 125.919 121.408 4.511 1
1 120 . 2 1 1 A 15 15 HIS H H 15 8.926 8.678 0.248 1
1 121 . 2 1 1 A 15 15 HIS HA H 15 4.690 4.220 0.470 1
1 125 . 2 1 1 A 15 15 HIS C C 15 174.715 174.932 -0.217 1
1 126 . 2 1 1 A 15 15 HIS CA C 15 55.829 60.022 -4.193 1
1 127 . 2 1 1 A 15 15 HIS CB C 15 33.853 30.602 3.251 1
1 129 . 2 1 1 A 15 15 HIS N N 15 125.470 128.586 -3.116 1
1 130 . 2 1 1 A 16 16 ARG H H 16 7.529 7.639 -0.110 1
1 131 . 2 1 1 A 16 16 ARG HA H 16 4.193 4.876 -0.683 1
1 138 . 2 1 1 A 16 16 ARG C C 16 173.315 174.588 -1.273 1
1 139 . 2 1 1 A 16 16 ARG CA C 16 55.329 55.376 -0.047 1
1 140 . 2 1 1 A 16 16 ARG CB C 16 33.252 32.793 0.459 1
1 143 . 2 1 1 A 16 16 ARG N N 16 111.315 113.929 -2.614 1
1 144 . 2 1 1 A 17 17 ILE H H 17 8.396 8.853 -0.457 1
1 145 . 2 1 1 A 17 17 ILE HA H 17 4.052 3.925 0.127 1
1 155 . 2 1 1 A 17 17 ILE C C 17 175.341 175.331 0.010 1
1 156 . 2 1 1 A 17 17 ILE CA C 17 61.859 61.511 0.348 1
1 157 . 2 1 1 A 17 17 ILE CB C 17 37.952 36.624 1.328 1
1 161 . 2 1 1 A 17 17 ILE N N 17 121.157 123.903 -2.746 1
1 162 . 2 1 1 A 18 18 LEU H H 18 9.102 8.376 0.726 1
1 163 . 2 1 1 A 18 18 LEU HA H 18 4.253 3.901 0.352 1
1 173 . 2 1 1 A 18 18 LEU C C 18 176.622 176.413 0.209 1
1 174 . 2 1 1 A 18 18 LEU CA C 18 55.422 57.277 -1.855 1
1 175 . 2 1 1 A 18 18 LEU CB C 18 43.410 41.911 1.499 1
1 179 . 2 1 1 A 18 18 LEU N N 18 124.326 129.928 -5.602 1
1 180 . 2 1 1 A 19 19 ASN H H 19 7.343 7.405 -0.062 1
1 181 . 2 1 1 A 19 19 ASN HA H 19 5.227 4.984 0.243 1
1 186 . 2 1 1 A 19 19 ASN C C 19 172.527 173.332 -0.805 1
1 187 . 2 1 1 A 19 19 ASN CA C 19 51.140 52.191 -1.051 1
1 188 . 2 1 1 A 19 19 ASN CB C 19 40.795 41.614 -0.819 1
1 189 . 2 1 1 A 19 19 ASN N N 19 113.895 112.027 1.868 1
1 191 . 2 1 1 A 20 20 HIS H H 20 8.816 8.910 -0.094 1
1 192 . 2 1 1 A 20 20 HIS HA H 20 5.875 6.033 -0.158 1
1 197 . 2 1 1 A 20 20 HIS C C 20 173.013 172.547 0.466 1
1 198 . 2 1 1 A 20 20 HIS CA C 20 55.932 54.459 1.473 1
1 199 . 2 1 1 A 20 20 HIS CB C 20 35.190 33.663 1.527 1
1 202 . 2 1 1 A 20 20 HIS N N 20 118.537 116.724 1.813 1
1 203 . 2 1 1 A 21 21 SER H H 21 9.203 8.813 0.390 1
1 204 . 2 1 1 A 21 21 SER HA H 21 4.399 4.817 -0.418 1
1 207 . 2 1 1 A 21 21 SER C C 21 172.382 172.052 0.330 1
1 208 . 2 1 1 A 21 21 SER CA C 21 57.063 56.639 0.424 1
1 209 . 2 1 1 A 21 21 SER CB C 21 65.417 65.254 0.163 1
1 210 . 2 1 1 A 21 21 SER N N 21 115.006 114.678 0.328 1
1 211 . 2 1 1 A 22 22 VAL H H 22 8.493 9.043 -0.550 1
1 212 . 2 1 1 A 22 22 VAL HA H 22 4.961 4.627 0.334 1
1 220 . 2 1 1 A 22 22 VAL C C 22 176.199 174.421 1.778 1
1 221 . 2 1 1 A 22 22 VAL CA C 22 61.066 60.199 0.867 1
1 222 . 2 1 1 A 22 22 VAL CB C 22 33.732 34.046 -0.314 1
1 225 . 2 1 1 A 22 22 VAL N N 22 124.080 127.918 -3.838 1
1 226 . 2 1 1 A 23 23 ASP H H 23 8.667 8.284 0.383 1
1 227 . 2 1 1 A 23 23 ASP HA H 23 4.688 4.419 0.269 1
1 230 . 2 1 1 A 23 23 ASP C C 23 178.629 177.303 1.326 1
1 231 . 2 1 1 A 23 23 ASP CA C 23 52.814 53.842 -1.028 1
1 232 . 2 1 1 A 23 23 ASP CB C 23 41.525 42.314 -0.789 1
1 233 . 2 1 1 A 23 23 ASP N N 23 127.673 128.206 -0.533 1
1 234 . 2 1 1 A 24 24 LYS H H 24 8.242 8.881 -0.639 1
1 235 . 2 1 1 A 24 24 LYS HA H 24 4.077 3.906 0.171 1
1 244 . 2 1 1 A 24 24 LYS C C 24 177.637 178.273 -0.636 1
1 245 . 2 1 1 A 24 24 LYS CA C 24 58.419 59.413 -0.994 1
1 246 . 2 1 1 A 24 24 LYS CB C 24 32.057 32.091 -0.034 1
1 250 . 2 1 1 A 24 24 LYS N N 24 116.378 126.125 -9.747 1
1 251 . 2 1 1 A 25 25 LYS H H 25 8.128 7.288 0.840 1
1 252 . 2 1 1 A 25 25 LYS HA H 25 4.379 4.079 0.300 1
1 261 . 2 1 1 A 25 25 LYS C C 25 176.600 176.390 0.210 1
1 262 . 2 1 1 A 25 25 LYS CA C 25 55.411 57.323 -1.912 1
1 263 . 2 1 1 A 25 25 LYS CB C 25 32.516 32.901 -0.385 1
1 267 . 2 1 1 A 25 25 LYS N N 25 118.184 116.281 1.903 1
1 268 . 2 1 1 A 26 26 GLY H H 26 8.040 7.924 0.116 1
1 269 . 2 1 1 A 26 26 GLY HA2 H 26 4.125 4.057 0.068 1
1 270 . 2 1 1 A 26 26 GLY HA3 H 26 3.428 4.088 -0.660 1
1 271 . 2 1 1 A 26 26 GLY C C 26 174.048 174.831 -0.783 1
1 272 . 2 1 1 A 26 26 GLY CA C 26 45.235 45.385 -0.150 1
1 273 . 2 1 1 A 26 26 GLY N N 26 108.208 105.931 2.277 1
1 274 . 2 1 1 A 27 27 HIS H H 27 8.599 8.068 0.531 1
1 275 . 2 1 1 A 27 27 HIS HA H 27 4.491 4.487 0.004 1
1 279 . 2 1 1 A 27 27 HIS C C 27 174.516 174.452 0.064 1
1 280 . 2 1 1 A 27 27 HIS CA C 27 55.935 57.039 -1.104 1
1 281 . 2 1 1 A 27 27 HIS CB C 27 29.257 29.397 -0.140 1
1 283 . 2 1 1 A 27 27 HIS N N 27 123.031 119.333 3.698 1
1 284 . 2 1 1 A 28 28 VAL H H 28 8.330 8.604 -0.274 1
1 285 . 2 1 1 A 28 28 VAL HA H 28 4.776 3.988 0.788 1
1 293 . 2 1 1 A 28 28 VAL C C 28 174.798 175.775 -0.977 1
1 294 . 2 1 1 A 28 28 VAL CA C 28 62.070 63.457 -1.387 1
1 295 . 2 1 1 A 28 28 VAL CB C 28 32.965 31.812 1.153 1
1 298 . 2 1 1 A 28 28 VAL N N 28 127.641 124.764 2.877 1
1 299 . 2 1 1 A 29 29 HIS H H 29 8.887 9.184 -0.297 1
1 300 . 2 1 1 A 29 29 HIS HA H 29 5.071 5.410 -0.339 1
1 305 . 2 1 1 A 29 29 HIS C C 29 173.998 174.167 -0.169 1
1 306 . 2 1 1 A 29 29 HIS CA C 29 54.841 54.158 0.683 1
1 307 . 2 1 1 A 29 29 HIS CB C 29 33.921 32.282 1.639 1
1 310 . 2 1 1 A 29 29 HIS N N 29 124.946 126.696 -1.750 1
1 311 . 2 1 1 A 30 30 TYR H H 30 9.630 9.675 -0.045 1
1 312 . 2 1 1 A 30 30 TYR HA H 30 5.092 5.131 -0.039 1
1 319 . 2 1 1 A 30 30 TYR C C 30 173.451 174.686 -1.235 1
1 320 . 2 1 1 A 30 30 TYR CA C 30 57.627 56.538 1.089 1
1 321 . 2 1 1 A 30 30 TYR CB C 30 41.124 40.770 0.354 1
1 326 . 2 1 1 A 30 30 TYR N N 30 119.246 120.769 -1.523 1
1 327 . 2 1 1 A 31 31 LEU H H 31 7.804 8.528 -0.724 1
1 328 . 2 1 1 A 31 31 LEU HA H 31 3.561 3.467 0.094 1
1 338 . 2 1 1 A 31 31 LEU C C 31 173.742 174.618 -0.876 1
1 339 . 2 1 1 A 31 31 LEU CA C 31 53.120 53.956 -0.836 1
1 340 . 2 1 1 A 31 31 LEU CB C 31 39.479 40.489 -1.010 1
1 344 . 2 1 1 A 31 31 LEU N N 31 125.982 126.481 -0.499 1
1 345 . 2 1 1 A 32 32 ILE H H 32 8.861 8.104 0.757 1
1 346 . 2 1 1 A 32 32 ILE HA H 32 3.402 3.802 -0.400 1
1 356 . 2 1 1 A 32 32 ILE C C 32 173.769 174.715 -0.946 1
1 357 . 2 1 1 A 32 32 ILE CA C 32 61.356 61.315 0.041 1
1 358 . 2 1 1 A 32 32 ILE CB C 32 39.405 37.480 1.925 1
1 362 . 2 1 1 A 32 32 ILE N N 32 129.827 127.003 2.824 1
1 363 . 2 1 1 A 33 33 LYS H H 33 7.951 8.529 -0.578 1
1 364 . 2 1 1 A 33 33 LYS HA H 33 4.111 4.541 -0.430 1
1 373 . 2 1 1 A 33 33 LYS C C 33 174.920 175.250 -0.330 1
1 374 . 2 1 1 A 33 33 LYS CA C 33 54.849 54.533 0.316 1
1 375 . 2 1 1 A 33 33 LYS CB C 33 33.162 33.580 -0.418 1
1 379 . 2 1 1 A 33 33 LYS N N 33 124.612 126.969 -2.357 1
1 380 . 2 1 1 A 34 34 TRP H H 34 8.145 8.278 -0.133 1
1 381 . 2 1 1 A 34 34 TRP HA H 34 4.690 4.610 0.080 1
1 390 . 2 1 1 A 34 34 TRP C C 34 177.144 177.104 0.040 1
1 391 . 2 1 1 A 34 34 TRP CA C 34 55.582 58.435 -2.853 1
1 392 . 2 1 1 A 34 34 TRP CB C 34 30.832 29.450 1.382 1
1 398 . 2 1 1 A 34 34 TRP N N 34 132.766 127.741 5.025 1
1 400 . 2 1 1 A 35 35 ARG H H 35 9.199 8.687 0.512 1
1 401 . 2 1 1 A 35 35 ARG HA H 35 3.742 4.159 -0.417 1
1 408 . 2 1 1 A 35 35 ARG C C 35 176.307 178.189 -1.882 1
1 409 . 2 1 1 A 35 35 ARG CA C 35 58.738 60.339 -1.601 1
1 410 . 2 1 1 A 35 35 ARG CB C 35 30.254 30.106 0.148 1
1 413 . 2 1 1 A 35 35 ARG N N 35 124.433 126.315 -1.882 1
1 414 . 2 1 1 A 36 36 ASP H H 36 8.812 8.398 0.414 1
1 415 . 2 1 1 A 36 36 ASP HA H 36 4.294 4.495 -0.201 1
1 418 . 2 1 1 A 36 36 ASP C C 36 174.269 176.725 -2.456 1
1 419 . 2 1 1 A 36 36 ASP CA C 36 55.948 57.668 -1.720 1
1 420 . 2 1 1 A 36 36 ASP CB C 36 39.960 41.809 -1.849 1
1 421 . 2 1 1 A 36 36 ASP N N 36 115.622 119.868 -4.246 1
1 422 . 2 1 1 A 37 37 LEU H H 37 7.372 7.849 -0.477 1
1 423 . 2 1 1 A 37 37 LEU HA H 37 4.966 4.529 0.437 1
1 433 . 2 1 1 A 37 37 LEU C C 37 174.638 174.811 -0.173 1
1 434 . 2 1 1 A 37 37 LEU CA C 37 51.968 53.346 -1.378 1
1 435 . 2 1 1 A 37 37 LEU CB C 37 44.421 41.578 2.843 1
1 439 . 2 1 1 A 37 37 LEU N N 37 119.137 120.548 -1.411 1
1 440 . 2 1 1 A 38 38 PRO HA H 38 4.559 4.641 -0.082 1
1 447 . 2 1 1 A 38 38 PRO C C 38 178.256 176.561 1.695 1
1 448 . 2 1 1 A 38 38 PRO CA C 38 62.332 62.371 -0.039 1
1 449 . 2 1 1 A 38 38 PRO CB C 38 33.232 33.336 -0.104 1
1 452 . 2 1 1 A 39 39 TYR H H 39 8.933 8.895 0.038 1
1 453 . 2 1 1 A 39 39 TYR HA H 39 3.758 4.023 -0.265 1
1 460 . 2 1 1 A 39 39 TYR C C 39 177.241 177.624 -0.383 1
1 461 . 2 1 1 A 39 39 TYR CA C 39 62.934 61.584 1.350 1
1 462 . 2 1 1 A 39 39 TYR CB C 39 38.451 38.714 -0.263 1
1 467 . 2 1 1 A 39 39 TYR N N 39 122.113 120.853 1.260 1
1 468 . 2 1 1 A 40 40 ASP H H 40 8.439 8.559 -0.120 1
1 469 . 2 1 1 A 40 40 ASP HA H 40 4.407 4.126 0.281 1
1 472 . 2 1 1 A 40 40 ASP C C 40 176.645 177.339 -0.694 1
1 473 . 2 1 1 A 40 40 ASP CA C 40 55.335 56.868 -1.533 1
1 474 . 2 1 1 A 40 40 ASP CB C 40 39.476 40.277 -0.801 1
1 475 . 2 1 1 A 40 40 ASP N N 40 115.019 120.349 -5.330 1
1 476 . 2 1 1 A 41 41 GLN H H 41 7.761 7.673 0.088 1
1 477 . 2 1 1 A 41 41 GLN HA H 41 4.457 4.359 0.098 1
1 484 . 2 1 1 A 41 41 GLN C C 41 175.665 176.083 -0.418 1
1 485 . 2 1 1 A 41 41 GLN CA C 41 55.031 56.110 -1.079 1
1 486 . 2 1 1 A 41 41 GLN CB C 41 29.606 29.959 -0.353 1
1 488 . 2 1 1 A 41 41 GLN N N 41 117.630 116.812 0.818 1
1 490 . 2 1 1 A 42 42 ALA H H 42 7.379 7.485 -0.106 1
1 491 . 2 1 1 A 42 42 ALA HA H 42 4.776 4.178 0.598 1
1 495 . 2 1 1 A 42 42 ALA C C 42 177.103 177.066 0.037 1
1 496 . 2 1 1 A 42 42 ALA CA C 42 53.572 52.786 0.786 1
1 497 . 2 1 1 A 42 42 ALA CB C 42 18.951 19.085 -0.134 1
1 498 . 2 1 1 A 42 42 ALA N N 42 123.425 123.832 -0.407 1
1 499 . 2 1 1 A 43 43 SER H H 43 8.521 8.128 0.393 1
1 500 . 2 1 1 A 43 43 SER HA H 43 4.861 4.890 -0.029 1
1 503 . 2 1 1 A 43 43 SER C C 43 172.947 172.749 0.198 1
1 504 . 2 1 1 A 43 43 SER CA C 43 56.852 57.318 -0.466 1
1 505 . 2 1 1 A 43 43 SER CB C 43 66.734 66.822 -0.088 1
1 506 . 2 1 1 A 43 43 SER N N 43 115.967 114.840 1.127 1
1 507 . 2 1 1 A 44 44 TRP H H 44 8.699 8.766 -0.067 1
1 508 . 2 1 1 A 44 44 TRP HA H 44 5.081 4.970 0.111 1
1 517 . 2 1 1 A 44 44 TRP C C 44 177.207 176.191 1.016 1
1 518 . 2 1 1 A 44 44 TRP CA C 44 56.648 56.919 -0.271 1
1 519 . 2 1 1 A 44 44 TRP CB C 44 29.592 31.240 -1.648 1
1 525 . 2 1 1 A 44 44 TRP N N 44 123.015 123.382 -0.367 1
1 527 . 2 1 1 A 45 45 GLU H H 45 9.773 8.911 0.862 1
1 528 . 2 1 1 A 45 45 GLU HA H 45 5.156 4.852 0.304 1
1 533 . 2 1 1 A 45 45 GLU C C 45 176.249 175.326 0.923 1
1 534 . 2 1 1 A 45 45 GLU CA C 45 53.378 54.925 -1.547 1
1 535 . 2 1 1 A 45 45 GLU CB C 45 31.950 33.372 -1.422 1
1 537 . 2 1 1 A 45 45 GLU N N 45 122.799 121.152 1.647 1
1 538 . 2 1 1 A 46 46 SER H H 46 9.121 8.621 0.500 1
1 539 . 2 1 1 A 46 46 SER HA H 46 4.106 4.439 -0.333 1
1 542 . 2 1 1 A 46 46 SER C C 46 178.218 175.882 2.336 1
1 543 . 2 1 1 A 46 46 SER CA C 46 58.791 58.247 0.544 1
1 544 . 2 1 1 A 46 46 SER CB C 46 63.100 64.107 -1.007 1
1 545 . 2 1 1 A 46 46 SER N N 46 116.892 120.487 -3.595 1
1 546 . 2 1 1 A 47 47 GLU H H 47 8.588 8.891 -0.303 1
1 547 . 2 1 1 A 47 47 GLU HA H 47 4.327 4.639 -0.312 1
1 552 . 2 1 1 A 47 47 GLU C C 47 174.707 177.312 -2.605 1
1 553 . 2 1 1 A 47 47 GLU CA C 47 58.693 57.766 0.927 1
1 554 . 2 1 1 A 47 47 GLU CB C 47 29.990 29.164 0.826 1
1 556 . 2 1 1 A 47 47 GLU N N 47 125.534 123.833 1.701 1
1 557 . 2 1 1 A 48 48 ASP H H 48 8.415 8.031 0.384 1
1 558 . 2 1 1 A 48 48 ASP HA H 48 4.847 4.879 -0.032 1
1 561 . 2 1 1 A 48 48 ASP C C 48 176.853 176.065 0.788 1
1 562 . 2 1 1 A 48 48 ASP CA C 48 54.472 55.825 -1.353 1
1 563 . 2 1 1 A 48 48 ASP CB C 48 41.795 41.863 -0.068 1
1 564 . 2 1 1 A 48 48 ASP N N 48 117.812 120.014 -2.202 1
1 565 . 2 1 1 A 49 49 VAL H H 49 7.192 7.524 -0.332 1
1 566 . 2 1 1 A 49 49 VAL HA H 49 4.137 4.035 0.102 1
1 574 . 2 1 1 A 49 49 VAL C C 49 175.326 175.822 -0.496 1
1 575 . 2 1 1 A 49 49 VAL CA C 49 62.987 62.287 0.700 1
1 576 . 2 1 1 A 49 49 VAL CB C 49 32.759 32.207 0.552 1
1 579 . 2 1 1 A 49 49 VAL N N 49 118.329 116.728 1.601 1
1 580 . 2 1 1 A 50 50 GLU H H 50 8.417 8.617 -0.200 1
1 581 . 2 1 1 A 50 50 GLU HA H 50 4.526 4.909 -0.383 1
1 586 . 2 1 1 A 50 50 GLU C C 50 175.395 175.887 -0.492 1
1 587 . 2 1 1 A 50 50 GLU CA C 50 56.376 55.365 1.011 1
1 588 . 2 1 1 A 50 50 GLU CB C 50 29.216 30.741 -1.525 1
1 590 . 2 1 1 A 50 50 GLU N N 50 124.475 123.508 0.967 1
1 591 . 2 1 1 A 51 51 ILE H H 51 7.483 8.578 -1.095 1
1 592 . 2 1 1 A 51 51 ILE HA H 51 4.068 4.712 -0.644 1
1 602 . 2 1 1 A 51 51 ILE C C 51 175.838 174.934 0.904 1
1 603 . 2 1 1 A 51 51 ILE CA C 51 60.572 59.471 1.101 1
1 604 . 2 1 1 A 51 51 ILE CB C 51 41.701 41.226 0.475 1
1 608 . 2 1 1 A 51 51 ILE N N 51 125.565 125.836 -0.271 1
1 609 . 2 1 1 A 52 52 GLN H H 52 9.055 8.406 0.649 1
1 610 . 2 1 1 A 52 52 GLN HA H 52 4.042 3.890 0.152 1
1 617 . 2 1 1 A 52 52 GLN C C 52 176.011 176.228 -0.217 1
1 618 . 2 1 1 A 52 52 GLN CA C 52 58.264 57.321 0.943 1
1 619 . 2 1 1 A 52 52 GLN CB C 52 28.458 28.403 0.055 1
1 621 . 2 1 1 A 52 52 GLN N N 52 130.354 124.794 5.560 1
1 623 . 2 1 1 A 53 53 ASP H H 53 9.244 9.443 -0.199 1
1 624 . 2 1 1 A 53 53 ASP HA H 53 4.529 4.333 0.196 1
1 627 . 2 1 1 A 53 53 ASP C C 53 176.419 175.754 0.665 1
1 628 . 2 1 1 A 53 53 ASP CA C 53 56.605 55.392 1.213 1
1 629 . 2 1 1 A 53 53 ASP CB C 53 39.788 39.168 0.620 1
1 630 . 2 1 1 A 53 53 ASP N N 53 119.289 122.483 -3.194 1
1 631 . 2 1 1 A 54 54 TYR H H 54 7.920 8.220 -0.300 1
1 632 . 2 1 1 A 54 54 TYR HA H 54 4.388 4.271 0.117 1
1 639 . 2 1 1 A 54 54 TYR C C 54 178.807 177.330 1.477 1
1 640 . 2 1 1 A 54 54 TYR CA C 54 57.557 61.350 -3.793 1
1 641 . 2 1 1 A 54 54 TYR CB C 54 37.745 39.095 -1.350 1
1 646 . 2 1 1 A 54 54 TYR N N 54 120.852 119.292 1.560 1
1 647 . 2 1 1 A 55 55 ASP H H 55 8.942 8.368 0.574 1
1 648 . 2 1 1 A 55 55 ASP HA H 55 4.155 4.091 0.064 1
1 651 . 2 1 1 A 55 55 ASP C C 55 178.492 178.917 -0.425 1
1 652 . 2 1 1 A 55 55 ASP CA C 55 57.839 57.323 0.516 1
1 653 . 2 1 1 A 55 55 ASP CB C 55 39.955 40.287 -0.332 1
1 654 . 2 1 1 A 55 55 ASP N N 55 114.884 119.653 -4.769 1
1 655 . 2 1 1 A 56 56 LEU H H 56 7.585 8.223 -0.638 1
1 656 . 2 1 1 A 56 56 LEU HA H 56 3.968 3.948 0.020 1
1 666 . 2 1 1 A 56 56 LEU C C 56 180.237 179.285 0.952 1
1 667 . 2 1 1 A 56 56 LEU CA C 56 57.892 58.083 -0.191 1
1 668 . 2 1 1 A 56 56 LEU CB C 56 41.204 42.036 -0.832 1
1 672 . 2 1 1 A 56 56 LEU N N 56 121.328 120.444 0.884 1
1 673 . 2 1 1 A 57 57 PHE H H 57 7.735 8.172 -0.437 1
1 674 . 2 1 1 A 57 57 PHE HA H 57 4.182 4.190 -0.008 1
1 682 . 2 1 1 A 57 57 PHE C C 57 179.437 178.142 1.295 1
1 683 . 2 1 1 A 57 57 PHE CA C 57 62.756 61.154 1.602 1
1 684 . 2 1 1 A 57 57 PHE CB C 57 38.803 38.924 -0.121 1
1 690 . 2 1 1 A 57 57 PHE N N 57 118.200 117.464 0.736 1
1 691 . 2 1 1 A 58 58 LYS H H 58 8.834 7.840 0.994 1
1 692 . 2 1 1 A 58 58 LYS HA H 58 3.515 3.492 0.023 1
1 701 . 2 1 1 A 58 58 LYS C C 58 177.565 179.065 -1.500 1
1 702 . 2 1 1 A 58 58 LYS CA C 58 60.851 59.631 1.220 1
1 703 . 2 1 1 A 58 58 LYS CB C 58 33.102 31.922 1.180 1
1 707 . 2 1 1 A 58 58 LYS N N 58 123.283 117.820 5.463 1
1 708 . 2 1 1 A 59 59 GLN H H 59 7.955 8.197 -0.242 1
1 709 . 2 1 1 A 59 59 GLN HA H 59 4.104 4.193 -0.089 1
1 716 . 2 1 1 A 59 59 GLN C C 59 178.948 178.459 0.489 1
1 717 . 2 1 1 A 59 59 GLN CA C 59 59.249 59.009 0.240 1
1 718 . 2 1 1 A 59 59 GLN CB C 59 28.185 28.476 -0.291 1
1 720 . 2 1 1 A 59 59 GLN N N 59 117.353 119.983 -2.630 1
1 722 . 2 1 1 A 60 60 SER H H 60 7.821 8.275 -0.454 1
1 723 . 2 1 1 A 60 60 SER HA H 60 4.233 4.128 0.105 1
1 726 . 2 1 1 A 60 60 SER C C 60 176.403 175.488 0.915 1
1 727 . 2 1 1 A 60 60 SER CA C 60 60.954 62.235 -1.281 1
1 728 . 2 1 1 A 60 60 SER CB C 60 63.007 62.998 0.009 1
1 729 . 2 1 1 A 60 60 SER N N 60 112.660 117.553 -4.893 1
1 730 . 2 1 1 A 61 61 TYR H H 61 7.858 8.366 -0.508 1
1 731 . 2 1 1 A 61 61 TYR HA H 61 4.084 3.998 0.086 1
1 734 . 2 1 1 A 61 61 TYR C C 61 177.358 177.247 0.111 1
1 735 . 2 1 1 A 61 61 TYR CA C 61 61.217 61.917 -0.700 1
1 736 . 2 1 1 A 61 61 TYR CB C 61 38.470 38.581 -0.111 1
1 739 . 2 1 1 A 61 61 TYR N N 61 122.550 121.472 1.078 1
1 740 . 2 1 1 A 62 62 TRP H H 62 7.754 7.506 0.248 1
1 741 . 2 1 1 A 62 62 TRP HA H 62 4.273 4.110 0.163 1
1 750 . 2 1 1 A 62 62 TRP C C 62 176.694 178.987 -2.293 1
1 751 . 2 1 1 A 62 62 TRP CA C 62 58.061 60.476 -2.415 1
1 752 . 2 1 1 A 62 62 TRP CB C 62 30.047 29.079 0.968 1
1 758 . 2 1 1 A 62 62 TRP N N 62 116.320 119.781 -3.461 1
1 760 . 2 1 1 A 63 63 ASN H H 63 7.800 8.396 -0.596 1
1 761 . 2 1 1 A 63 63 ASN HA H 63 4.688 4.339 0.349 1
1 766 . 2 1 1 A 63 63 ASN C C 63 174.055 178.164 -4.109 1
1 767 . 2 1 1 A 63 63 ASN CA C 63 53.484 56.300 -2.816 1
1 768 . 2 1 1 A 63 63 ASN CB C 63 38.645 38.083 0.562 1
1 769 . 2 1 1 A 63 63 ASN N N 63 117.543 117.760 -0.217 1
1 1 . 3 1 1 A 6 6 SER HA H 6 4.447 4.785 -0.338 1
1 3 . 3 1 1 A 6 6 SER C C 6 174.919 173.310 1.609 1
1 4 . 3 1 1 A 6 6 SER CA C 6 58.632 56.298 2.334 1
1 5 . 3 1 1 A 6 6 SER CB C 6 63.826 65.839 -2.013 1
1 6 . 3 1 1 A 7 7 GLY H H 7 8.381 8.181 0.200 1
1 7 . 3 1 1 A 7 7 GLY HA2 H 7 3.956 4.205 -0.249 1
1 8 . 3 1 1 A 7 7 GLY HA3 H 7 3.907 4.208 -0.301 1
1 9 . 3 1 1 A 7 7 GLY C C 7 173.610 171.808 1.802 1
1 10 . 3 1 1 A 7 7 GLY CA C 7 45.128 45.982 -0.854 1
1 11 . 3 1 1 A 7 7 GLY N N 7 110.672 107.281 3.391 1
1 12 . 3 1 1 A 8 8 LYS H H 8 7.989 8.220 -0.231 1
1 13 . 3 1 1 A 8 8 LYS HA H 8 4.430 4.755 -0.325 1
1 22 . 3 1 1 A 8 8 LYS C C 8 174.322 174.051 0.271 1
1 23 . 3 1 1 A 8 8 LYS CA C 8 53.436 52.968 0.468 1
1 24 . 3 1 1 A 8 8 LYS CB C 8 31.892 34.795 -2.903 1
1 28 . 3 1 1 A 8 8 LYS N N 8 121.270 122.479 -1.209 1
1 29 . 3 1 1 A 9 9 PRO HA H 9 4.131 4.655 -0.524 1
1 36 . 3 1 1 A 9 9 PRO C C 9 177.331 176.197 1.134 1
1 37 . 3 1 1 A 9 9 PRO CA C 9 62.970 62.554 0.416 1
1 38 . 3 1 1 A 9 9 PRO CB C 9 31.894 33.143 -1.249 1
1 41 . 3 1 1 A 10 10 GLU H H 10 8.649 8.552 0.097 1
1 42 . 3 1 1 A 10 10 GLU HA H 10 3.960 4.117 -0.157 1
1 47 . 3 1 1 A 10 10 GLU C C 10 175.849 178.739 -2.890 1
1 48 . 3 1 1 A 10 10 GLU CA C 10 58.051 58.659 -0.608 1
1 49 . 3 1 1 A 10 10 GLU CB C 10 29.627 30.192 -0.565 1
1 51 . 3 1 1 A 10 10 GLU N N 10 120.707 120.380 0.327 1
1 52 . 3 1 1 A 11 11 TRP H H 11 7.131 8.145 -1.014 1
1 53 . 3 1 1 A 11 11 TRP HA H 11 4.548 4.494 0.054 1
1 62 . 3 1 1 A 11 11 TRP C C 11 176.362 176.825 -0.463 1
1 63 . 3 1 1 A 11 11 TRP CA C 11 55.758 59.961 -4.203 1
1 64 . 3 1 1 A 11 11 TRP CB C 11 29.285 28.144 1.141 1
1 70 . 3 1 1 A 11 11 TRP N N 11 115.904 118.850 -2.946 1
1 72 . 3 1 1 A 12 12 MET H H 12 7.289 6.924 0.365 1
1 73 . 3 1 1 A 12 12 MET HA H 12 4.054 3.921 0.133 1
1 81 . 3 1 1 A 12 12 MET C C 12 174.357 176.121 -1.764 1
1 82 . 3 1 1 A 12 12 MET CA C 12 55.900 54.872 1.028 1
1 83 . 3 1 1 A 12 12 MET CB C 12 31.808 31.561 0.247 1
1 86 . 3 1 1 A 12 12 MET N N 12 122.155 120.912 1.243 1
1 87 . 3 1 1 A 13 13 MET H H 13 8.569 9.022 -0.453 1
1 88 . 3 1 1 A 13 13 MET HA H 13 4.890 5.222 -0.332 1
1 96 . 3 1 1 A 13 13 MET C C 13 175.898 174.499 1.399 1
1 97 . 3 1 1 A 13 13 MET CA C 13 53.784 54.174 -0.390 1
1 98 . 3 1 1 A 13 13 MET CB C 13 35.100 37.360 -2.260 1
1 101 . 3 1 1 A 13 13 MET N N 13 121.084 121.298 -0.214 1
1 102 . 3 1 1 A 14 14 ILE H H 14 9.144 8.586 0.558 1
1 103 . 3 1 1 A 14 14 ILE HA H 14 2.912 4.317 -1.405 1
1 113 . 3 1 1 A 14 14 ILE C C 14 174.810 176.108 -1.298 1
1 114 . 3 1 1 A 14 14 ILE CA C 14 63.803 60.309 3.494 1
1 115 . 3 1 1 A 14 14 ILE CB C 14 38.974 38.364 0.610 1
1 119 . 3 1 1 A 14 14 ILE N N 14 125.919 121.359 4.560 1
1 120 . 3 1 1 A 15 15 HIS H H 15 8.926 8.512 0.414 1
1 121 . 3 1 1 A 15 15 HIS HA H 15 4.690 4.183 0.507 1
1 125 . 3 1 1 A 15 15 HIS C C 15 174.715 174.850 -0.135 1
1 126 . 3 1 1 A 15 15 HIS CA C 15 55.829 60.071 -4.242 1
1 127 . 3 1 1 A 15 15 HIS CB C 15 33.853 30.561 3.292 1
1 129 . 3 1 1 A 15 15 HIS N N 15 125.470 128.548 -3.078 1
1 130 . 3 1 1 A 16 16 ARG H H 16 7.529 7.619 -0.090 1
1 131 . 3 1 1 A 16 16 ARG HA H 16 4.193 4.821 -0.628 1
1 138 . 3 1 1 A 16 16 ARG C C 16 173.315 174.748 -1.433 1
1 139 . 3 1 1 A 16 16 ARG CA C 16 55.329 55.400 -0.071 1
1 140 . 3 1 1 A 16 16 ARG CB C 16 33.252 32.936 0.316 1
1 143 . 3 1 1 A 16 16 ARG N N 16 111.315 114.107 -2.792 1
1 144 . 3 1 1 A 17 17 ILE H H 17 8.396 8.987 -0.591 1
1 145 . 3 1 1 A 17 17 ILE HA H 17 4.052 3.951 0.101 1
1 155 . 3 1 1 A 17 17 ILE C C 17 175.341 175.396 -0.055 1
1 156 . 3 1 1 A 17 17 ILE CA C 17 61.859 61.785 0.074 1
1 157 . 3 1 1 A 17 17 ILE CB C 17 37.952 36.808 1.144 1
1 161 . 3 1 1 A 17 17 ILE N N 17 121.157 123.998 -2.841 1
1 162 . 3 1 1 A 18 18 LEU H H 18 9.102 8.552 0.550 1
1 163 . 3 1 1 A 18 18 LEU HA H 18 4.253 4.089 0.164 1
1 173 . 3 1 1 A 18 18 LEU C C 18 176.622 176.531 0.091 1
1 174 . 3 1 1 A 18 18 LEU CA C 18 55.422 56.968 -1.546 1
1 175 . 3 1 1 A 18 18 LEU CB C 18 43.410 42.036 1.374 1
1 179 . 3 1 1 A 18 18 LEU N N 18 124.326 129.605 -5.279 1
1 180 . 3 1 1 A 19 19 ASN H H 19 7.343 7.410 -0.067 1
1 181 . 3 1 1 A 19 19 ASN HA H 19 5.227 5.148 0.079 1
1 186 . 3 1 1 A 19 19 ASN C C 19 172.527 173.183 -0.656 1
1 187 . 3 1 1 A 19 19 ASN CA C 19 51.140 52.320 -1.180 1
1 188 . 3 1 1 A 19 19 ASN CB C 19 40.795 41.696 -0.901 1
1 189 . 3 1 1 A 19 19 ASN N N 19 113.895 111.916 1.979 1
1 191 . 3 1 1 A 20 20 HIS H H 20 8.816 8.795 0.021 1
1 192 . 3 1 1 A 20 20 HIS HA H 20 5.875 6.221 -0.346 1
1 197 . 3 1 1 A 20 20 HIS C C 20 173.013 172.780 0.233 1
1 198 . 3 1 1 A 20 20 HIS CA C 20 55.932 53.916 2.016 1
1 199 . 3 1 1 A 20 20 HIS CB C 20 35.190 33.407 1.783 1
1 202 . 3 1 1 A 20 20 HIS N N 20 118.537 116.758 1.779 1
1 203 . 3 1 1 A 21 21 SER H H 21 9.203 9.039 0.164 1
1 204 . 3 1 1 A 21 21 SER HA H 21 4.399 4.891 -0.492 1
1 207 . 3 1 1 A 21 21 SER C C 21 172.382 172.244 0.138 1
1 208 . 3 1 1 A 21 21 SER CA C 21 57.063 56.664 0.399 1
1 209 . 3 1 1 A 21 21 SER CB C 21 65.417 65.047 0.370 1
1 210 . 3 1 1 A 21 21 SER N N 21 115.006 114.986 0.020 1
1 211 . 3 1 1 A 22 22 VAL H H 22 8.493 9.089 -0.596 1
1 212 . 3 1 1 A 22 22 VAL HA H 22 4.961 4.808 0.153 1
1 220 . 3 1 1 A 22 22 VAL C C 22 176.199 174.530 1.669 1
1 221 . 3 1 1 A 22 22 VAL CA C 22 61.066 60.030 1.036 1
1 222 . 3 1 1 A 22 22 VAL CB C 22 33.732 34.132 -0.400 1
1 225 . 3 1 1 A 22 22 VAL N N 22 124.080 127.505 -3.425 1
1 226 . 3 1 1 A 23 23 ASP H H 23 8.667 7.844 0.823 1
1 227 . 3 1 1 A 23 23 ASP HA H 23 4.688 4.482 0.206 1
1 230 . 3 1 1 A 23 23 ASP C C 23 178.629 177.322 1.307 1
1 231 . 3 1 1 A 23 23 ASP CA C 23 52.814 53.562 -0.748 1
1 232 . 3 1 1 A 23 23 ASP CB C 23 41.525 42.073 -0.548 1
1 233 . 3 1 1 A 23 23 ASP N N 23 127.673 128.015 -0.342 1
1 234 . 3 1 1 A 24 24 LYS H H 24 8.242 8.757 -0.515 1
1 235 . 3 1 1 A 24 24 LYS HA H 24 4.077 3.850 0.227 1
1 244 . 3 1 1 A 24 24 LYS C C 24 177.637 178.604 -0.967 1
1 245 . 3 1 1 A 24 24 LYS CA C 24 58.419 59.987 -1.568 1
1 246 . 3 1 1 A 24 24 LYS CB C 24 32.057 32.016 0.041 1
1 250 . 3 1 1 A 24 24 LYS N N 24 116.378 124.394 -8.016 1
1 251 . 3 1 1 A 25 25 LYS H H 25 8.128 7.314 0.814 1
1 252 . 3 1 1 A 25 25 LYS HA H 25 4.379 4.025 0.354 1
1 261 . 3 1 1 A 25 25 LYS C C 25 176.600 176.595 0.005 1
1 262 . 3 1 1 A 25 25 LYS CA C 25 55.411 58.136 -2.725 1
1 263 . 3 1 1 A 25 25 LYS CB C 25 32.516 32.665 -0.149 1
1 267 . 3 1 1 A 25 25 LYS N N 25 118.184 118.462 -0.278 1
1 268 . 3 1 1 A 26 26 GLY H H 26 8.040 7.708 0.332 1
1 269 . 3 1 1 A 26 26 GLY HA2 H 26 4.125 4.069 0.056 1
1 270 . 3 1 1 A 26 26 GLY HA3 H 26 3.428 4.112 -0.684 1
1 271 . 3 1 1 A 26 26 GLY C C 26 174.048 174.673 -0.625 1
1 272 . 3 1 1 A 26 26 GLY CA C 26 45.235 45.054 0.181 1
1 273 . 3 1 1 A 26 26 GLY N N 26 108.208 106.232 1.976 1
1 274 . 3 1 1 A 27 27 HIS H H 27 8.599 8.016 0.583 1
1 275 . 3 1 1 A 27 27 HIS HA H 27 4.491 4.460 0.031 1
1 279 . 3 1 1 A 27 27 HIS C C 27 174.516 174.382 0.134 1
1 280 . 3 1 1 A 27 27 HIS CA C 27 55.935 56.758 -0.823 1
1 281 . 3 1 1 A 27 27 HIS CB C 27 29.257 29.760 -0.503 1
1 283 . 3 1 1 A 27 27 HIS N N 27 123.031 118.719 4.312 1
1 284 . 3 1 1 A 28 28 VAL H H 28 8.330 8.199 0.131 1
1 285 . 3 1 1 A 28 28 VAL HA H 28 4.776 3.976 0.800 1
1 293 . 3 1 1 A 28 28 VAL C C 28 174.798 175.455 -0.657 1
1 294 . 3 1 1 A 28 28 VAL CA C 28 62.070 63.103 -1.033 1
1 295 . 3 1 1 A 28 28 VAL CB C 28 32.965 31.659 1.306 1
1 298 . 3 1 1 A 28 28 VAL N N 28 127.641 125.044 2.597 1
1 299 . 3 1 1 A 29 29 HIS H H 29 8.887 9.491 -0.604 1
1 300 . 3 1 1 A 29 29 HIS HA H 29 5.071 5.280 -0.209 1
1 305 . 3 1 1 A 29 29 HIS C C 29 173.998 174.101 -0.103 1
1 306 . 3 1 1 A 29 29 HIS CA C 29 54.841 54.184 0.657 1
1 307 . 3 1 1 A 29 29 HIS CB C 29 33.921 32.520 1.401 1
1 310 . 3 1 1 A 29 29 HIS N N 29 124.946 126.488 -1.542 1
1 311 . 3 1 1 A 30 30 TYR H H 30 9.630 9.573 0.057 1
1 312 . 3 1 1 A 30 30 TYR HA H 30 5.092 5.126 -0.034 1
1 319 . 3 1 1 A 30 30 TYR C C 30 173.451 174.575 -1.124 1
1 320 . 3 1 1 A 30 30 TYR CA C 30 57.627 56.398 1.229 1
1 321 . 3 1 1 A 30 30 TYR CB C 30 41.124 40.695 0.429 1
1 326 . 3 1 1 A 30 30 TYR N N 30 119.246 120.533 -1.287 1
1 327 . 3 1 1 A 31 31 LEU H H 31 7.804 8.649 -0.845 1
1 328 . 3 1 1 A 31 31 LEU HA H 31 3.561 3.474 0.087 1
1 338 . 3 1 1 A 31 31 LEU C C 31 173.742 174.528 -0.786 1
1 339 . 3 1 1 A 31 31 LEU CA C 31 53.120 54.124 -1.004 1
1 340 . 3 1 1 A 31 31 LEU CB C 31 39.479 40.672 -1.193 1
1 344 . 3 1 1 A 31 31 LEU N N 31 125.982 126.418 -0.436 1
1 345 . 3 1 1 A 32 32 ILE H H 32 8.861 8.025 0.836 1
1 346 . 3 1 1 A 32 32 ILE HA H 32 3.402 3.932 -0.530 1
1 356 . 3 1 1 A 32 32 ILE C C 32 173.769 174.396 -0.627 1
1 357 . 3 1 1 A 32 32 ILE CA C 32 61.356 61.195 0.161 1
1 358 . 3 1 1 A 32 32 ILE CB C 32 39.405 37.321 2.084 1
1 362 . 3 1 1 A 32 32 ILE N N 32 129.827 127.224 2.603 1
1 363 . 3 1 1 A 33 33 LYS H H 33 7.951 8.450 -0.499 1
1 364 . 3 1 1 A 33 33 LYS HA H 33 4.111 4.397 -0.286 1
1 373 . 3 1 1 A 33 33 LYS C C 33 174.920 174.933 -0.013 1
1 374 . 3 1 1 A 33 33 LYS CA C 33 54.849 54.433 0.416 1
1 375 . 3 1 1 A 33 33 LYS CB C 33 33.162 33.153 0.009 1
1 379 . 3 1 1 A 33 33 LYS N N 33 124.612 127.350 -2.738 1
1 380 . 3 1 1 A 34 34 TRP H H 34 8.145 8.253 -0.108 1
1 381 . 3 1 1 A 34 34 TRP HA H 34 4.690 4.527 0.163 1
1 390 . 3 1 1 A 34 34 TRP C C 34 177.144 177.097 0.047 1
1 391 . 3 1 1 A 34 34 TRP CA C 34 55.582 58.574 -2.992 1
1 392 . 3 1 1 A 34 34 TRP CB C 34 30.832 29.561 1.271 1
1 398 . 3 1 1 A 34 34 TRP N N 34 132.766 127.589 5.177 1
1 400 . 3 1 1 A 35 35 ARG H H 35 9.199 8.691 0.508 1
1 401 . 3 1 1 A 35 35 ARG HA H 35 3.742 4.287 -0.545 1
1 408 . 3 1 1 A 35 35 ARG C C 35 176.307 178.197 -1.890 1
1 409 . 3 1 1 A 35 35 ARG CA C 35 58.738 60.453 -1.715 1
1 410 . 3 1 1 A 35 35 ARG CB C 35 30.254 30.142 0.112 1
1 413 . 3 1 1 A 35 35 ARG N N 35 124.433 126.270 -1.837 1
1 414 . 3 1 1 A 36 36 ASP H H 36 8.812 8.477 0.335 1
1 415 . 3 1 1 A 36 36 ASP HA H 36 4.294 4.507 -0.213 1
1 418 . 3 1 1 A 36 36 ASP C C 36 174.269 176.720 -2.451 1
1 419 . 3 1 1 A 36 36 ASP CA C 36 55.948 57.699 -1.751 1
1 420 . 3 1 1 A 36 36 ASP CB C 36 39.960 41.524 -1.564 1
1 421 . 3 1 1 A 36 36 ASP N N 36 115.622 119.506 -3.884 1
1 422 . 3 1 1 A 37 37 LEU H H 37 7.372 7.803 -0.431 1
1 423 . 3 1 1 A 37 37 LEU HA H 37 4.966 4.522 0.444 1
1 433 . 3 1 1 A 37 37 LEU C C 37 174.638 174.889 -0.251 1
1 434 . 3 1 1 A 37 37 LEU CA C 37 51.968 53.274 -1.306 1
1 435 . 3 1 1 A 37 37 LEU CB C 37 44.421 41.362 3.059 1
1 439 . 3 1 1 A 37 37 LEU N N 37 119.137 120.539 -1.402 1
1 440 . 3 1 1 A 38 38 PRO HA H 38 4.559 4.606 -0.047 1
1 447 . 3 1 1 A 38 38 PRO C C 38 178.256 176.412 1.844 1
1 448 . 3 1 1 A 38 38 PRO CA C 38 62.332 62.391 -0.059 1
1 449 . 3 1 1 A 38 38 PRO CB C 38 33.232 33.387 -0.155 1
1 452 . 3 1 1 A 39 39 TYR H H 39 8.933 8.885 0.048 1
1 453 . 3 1 1 A 39 39 TYR HA H 39 3.758 4.122 -0.364 1
1 460 . 3 1 1 A 39 39 TYR C C 39 177.241 177.450 -0.209 1
1 461 . 3 1 1 A 39 39 TYR CA C 39 62.934 61.124 1.810 1
1 462 . 3 1 1 A 39 39 TYR CB C 39 38.451 38.955 -0.504 1
1 467 . 3 1 1 A 39 39 TYR N N 39 122.113 121.910 0.203 1
1 468 . 3 1 1 A 40 40 ASP H H 40 8.439 8.605 -0.166 1
1 469 . 3 1 1 A 40 40 ASP HA H 40 4.407 4.463 -0.056 1
1 472 . 3 1 1 A 40 40 ASP C C 40 176.645 177.007 -0.362 1
1 473 . 3 1 1 A 40 40 ASP CA C 40 55.335 55.761 -0.426 1
1 474 . 3 1 1 A 40 40 ASP CB C 40 39.476 39.186 0.290 1
1 475 . 3 1 1 A 40 40 ASP N N 40 115.019 118.821 -3.802 1
1 476 . 3 1 1 A 41 41 GLN H H 41 7.761 7.660 0.101 1
1 477 . 3 1 1 A 41 41 GLN HA H 41 4.457 4.465 -0.008 1
1 484 . 3 1 1 A 41 41 GLN C C 41 175.665 176.076 -0.411 1
1 485 . 3 1 1 A 41 41 GLN CA C 41 55.031 55.602 -0.571 1
1 486 . 3 1 1 A 41 41 GLN CB C 41 29.606 30.162 -0.556 1
1 488 . 3 1 1 A 41 41 GLN N N 41 117.630 117.423 0.207 1
1 490 . 3 1 1 A 42 42 ALA H H 42 7.379 7.344 0.035 1
1 491 . 3 1 1 A 42 42 ALA HA H 42 4.776 4.141 0.635 1
1 495 . 3 1 1 A 42 42 ALA C C 42 177.103 176.670 0.433 1
1 496 . 3 1 1 A 42 42 ALA CA C 42 53.572 52.926 0.646 1
1 497 . 3 1 1 A 42 42 ALA CB C 42 18.951 19.102 -0.151 1
1 498 . 3 1 1 A 42 42 ALA N N 42 123.425 123.552 -0.127 1
1 499 . 3 1 1 A 43 43 SER H H 43 8.521 7.990 0.531 1
1 500 . 3 1 1 A 43 43 SER HA H 43 4.861 5.240 -0.379 1
1 503 . 3 1 1 A 43 43 SER C C 43 172.947 172.887 0.060 1
1 504 . 3 1 1 A 43 43 SER CA C 43 56.852 56.508 0.344 1
1 505 . 3 1 1 A 43 43 SER CB C 43 66.734 65.752 0.982 1
1 506 . 3 1 1 A 43 43 SER N N 43 115.967 114.674 1.293 1
1 507 . 3 1 1 A 44 44 TRP H H 44 8.699 8.868 -0.169 1
1 508 . 3 1 1 A 44 44 TRP HA H 44 5.081 4.994 0.087 1
1 517 . 3 1 1 A 44 44 TRP C C 44 177.207 176.394 0.813 1
1 518 . 3 1 1 A 44 44 TRP CA C 44 56.648 57.080 -0.432 1
1 519 . 3 1 1 A 44 44 TRP CB C 44 29.592 31.029 -1.437 1
1 525 . 3 1 1 A 44 44 TRP N N 44 123.015 124.993 -1.978 1
1 527 . 3 1 1 A 45 45 GLU H H 45 9.773 8.887 0.886 1
1 528 . 3 1 1 A 45 45 GLU HA H 45 5.156 4.922 0.234 1
1 533 . 3 1 1 A 45 45 GLU C C 45 176.249 175.646 0.603 1
1 534 . 3 1 1 A 45 45 GLU CA C 45 53.378 54.658 -1.280 1
1 535 . 3 1 1 A 45 45 GLU CB C 45 31.950 32.680 -0.730 1
1 537 . 3 1 1 A 45 45 GLU N N 45 122.799 122.133 0.666 1
1 538 . 3 1 1 A 46 46 SER H H 46 9.121 8.602 0.519 1
1 539 . 3 1 1 A 46 46 SER HA H 46 4.106 4.472 -0.366 1
1 542 . 3 1 1 A 46 46 SER C C 46 178.218 176.180 2.038 1
1 543 . 3 1 1 A 46 46 SER CA C 46 58.791 58.319 0.472 1
1 544 . 3 1 1 A 46 46 SER CB C 46 63.100 64.050 -0.950 1
1 545 . 3 1 1 A 46 46 SER N N 46 116.892 120.930 -4.038 1
1 546 . 3 1 1 A 47 47 GLU H H 47 8.588 8.886 -0.298 1
1 547 . 3 1 1 A 47 47 GLU HA H 47 4.327 4.675 -0.348 1
1 552 . 3 1 1 A 47 47 GLU C C 47 174.707 176.736 -2.029 1
1 553 . 3 1 1 A 47 47 GLU CA C 47 58.693 57.260 1.433 1
1 554 . 3 1 1 A 47 47 GLU CB C 47 29.990 28.848 1.142 1
1 556 . 3 1 1 A 47 47 GLU N N 47 125.534 123.513 2.021 1
1 557 . 3 1 1 A 48 48 ASP H H 48 8.415 8.270 0.145 1
1 558 . 3 1 1 A 48 48 ASP HA H 48 4.847 4.894 -0.047 1
1 561 . 3 1 1 A 48 48 ASP C C 48 176.853 175.991 0.862 1
1 562 . 3 1 1 A 48 48 ASP CA C 48 54.472 55.252 -0.780 1
1 563 . 3 1 1 A 48 48 ASP CB C 48 41.795 42.392 -0.597 1
1 564 . 3 1 1 A 48 48 ASP N N 48 117.812 120.235 -2.423 1
1 565 . 3 1 1 A 49 49 VAL H H 49 7.192 7.508 -0.316 1
1 566 . 3 1 1 A 49 49 VAL HA H 49 4.137 4.050 0.087 1
1 574 . 3 1 1 A 49 49 VAL C C 49 175.326 175.985 -0.659 1
1 575 . 3 1 1 A 49 49 VAL CA C 49 62.987 62.358 0.629 1
1 576 . 3 1 1 A 49 49 VAL CB C 49 32.759 32.236 0.523 1
1 579 . 3 1 1 A 49 49 VAL N N 49 118.329 116.668 1.661 1
1 580 . 3 1 1 A 50 50 GLU H H 50 8.417 8.795 -0.378 1
1 581 . 3 1 1 A 50 50 GLU HA H 50 4.526 5.014 -0.488 1
1 586 . 3 1 1 A 50 50 GLU C C 50 175.395 175.702 -0.307 1
1 587 . 3 1 1 A 50 50 GLU CA C 50 56.376 55.244 1.132 1
1 588 . 3 1 1 A 50 50 GLU CB C 50 29.216 30.907 -1.691 1
1 590 . 3 1 1 A 50 50 GLU N N 50 124.475 122.444 2.031 1
1 591 . 3 1 1 A 51 51 ILE H H 51 7.483 8.593 -1.110 1
1 592 . 3 1 1 A 51 51 ILE HA H 51 4.068 4.627 -0.559 1
1 602 . 3 1 1 A 51 51 ILE C C 51 175.838 174.646 1.192 1
1 603 . 3 1 1 A 51 51 ILE CA C 51 60.572 59.788 0.784 1
1 604 . 3 1 1 A 51 51 ILE CB C 51 41.701 40.992 0.709 1
1 608 . 3 1 1 A 51 51 ILE N N 51 125.565 126.002 -0.437 1
1 609 . 3 1 1 A 52 52 GLN H H 52 9.055 8.386 0.669 1
1 610 . 3 1 1 A 52 52 GLN HA H 52 4.042 3.875 0.167 1
1 617 . 3 1 1 A 52 52 GLN C C 52 176.011 176.428 -0.417 1
1 618 . 3 1 1 A 52 52 GLN CA C 52 58.264 57.262 1.002 1
1 619 . 3 1 1 A 52 52 GLN CB C 52 28.458 28.494 -0.036 1
1 621 . 3 1 1 A 52 52 GLN N N 52 130.354 123.742 6.612 1
1 623 . 3 1 1 A 53 53 ASP H H 53 9.244 9.099 0.145 1
1 624 . 3 1 1 A 53 53 ASP HA H 53 4.529 4.398 0.131 1
1 627 . 3 1 1 A 53 53 ASP C C 53 176.419 176.053 0.366 1
1 628 . 3 1 1 A 53 53 ASP CA C 53 56.605 54.968 1.637 1
1 629 . 3 1 1 A 53 53 ASP CB C 53 39.788 38.688 1.100 1
1 630 . 3 1 1 A 53 53 ASP N N 53 119.289 125.858 -6.569 1
1 631 . 3 1 1 A 54 54 TYR H H 54 7.920 8.018 -0.098 1
1 632 . 3 1 1 A 54 54 TYR HA H 54 4.388 4.203 0.185 1
1 639 . 3 1 1 A 54 54 TYR C C 54 178.807 177.329 1.478 1
1 640 . 3 1 1 A 54 54 TYR CA C 54 57.557 60.865 -3.308 1
1 641 . 3 1 1 A 54 54 TYR CB C 54 37.745 38.600 -0.855 1
1 646 . 3 1 1 A 54 54 TYR N N 54 120.852 120.690 0.162 1
1 647 . 3 1 1 A 55 55 ASP H H 55 8.942 8.061 0.881 1
1 648 . 3 1 1 A 55 55 ASP HA H 55 4.155 4.255 -0.100 1
1 651 . 3 1 1 A 55 55 ASP C C 55 178.492 179.069 -0.577 1
1 652 . 3 1 1 A 55 55 ASP CA C 55 57.839 57.449 0.390 1
1 653 . 3 1 1 A 55 55 ASP CB C 55 39.955 40.325 -0.370 1
1 654 . 3 1 1 A 55 55 ASP N N 55 114.884 120.447 -5.563 1
1 655 . 3 1 1 A 56 56 LEU H H 56 7.585 8.199 -0.614 1
1 656 . 3 1 1 A 56 56 LEU HA H 56 3.968 3.990 -0.022 1
1 666 . 3 1 1 A 56 56 LEU C C 56 180.237 179.369 0.868 1
1 667 . 3 1 1 A 56 56 LEU CA C 56 57.892 58.051 -0.159 1
1 668 . 3 1 1 A 56 56 LEU CB C 56 41.204 42.376 -1.172 1
1 672 . 3 1 1 A 56 56 LEU N N 56 121.328 120.945 0.383 1
1 673 . 3 1 1 A 57 57 PHE H H 57 7.735 8.311 -0.576 1
1 674 . 3 1 1 A 57 57 PHE HA H 57 4.182 4.208 -0.026 1
1 682 . 3 1 1 A 57 57 PHE C C 57 179.437 178.236 1.201 1
1 683 . 3 1 1 A 57 57 PHE CA C 57 62.756 61.159 1.597 1
1 684 . 3 1 1 A 57 57 PHE CB C 57 38.803 38.876 -0.073 1
1 690 . 3 1 1 A 57 57 PHE N N 57 118.200 117.432 0.768 1
1 691 . 3 1 1 A 58 58 LYS H H 58 8.834 7.855 0.979 1
1 692 . 3 1 1 A 58 58 LYS HA H 58 3.515 3.498 0.017 1
1 701 . 3 1 1 A 58 58 LYS C C 58 177.565 178.995 -1.430 1
1 702 . 3 1 1 A 58 58 LYS CA C 58 60.851 59.469 1.382 1
1 703 . 3 1 1 A 58 58 LYS CB C 58 33.102 31.925 1.177 1
1 707 . 3 1 1 A 58 58 LYS N N 58 123.283 118.078 5.205 1
1 708 . 3 1 1 A 59 59 GLN H H 59 7.955 7.819 0.136 1
1 709 . 3 1 1 A 59 59 GLN HA H 59 4.104 4.205 -0.101 1
1 716 . 3 1 1 A 59 59 GLN C C 59 178.948 178.246 0.702 1
1 717 . 3 1 1 A 59 59 GLN CA C 59 59.249 58.701 0.548 1
1 718 . 3 1 1 A 59 59 GLN CB C 59 28.185 28.631 -0.446 1
1 720 . 3 1 1 A 59 59 GLN N N 59 117.353 119.935 -2.582 1
1 722 . 3 1 1 A 60 60 SER H H 60 7.821 7.809 0.012 1
1 723 . 3 1 1 A 60 60 SER HA H 60 4.233 4.171 0.062 1
1 726 . 3 1 1 A 60 60 SER C C 60 176.403 176.256 0.147 1
1 727 . 3 1 1 A 60 60 SER CA C 60 60.954 61.584 -0.630 1
1 728 . 3 1 1 A 60 60 SER CB C 60 63.007 63.123 -0.116 1
1 729 . 3 1 1 A 60 60 SER N N 60 112.660 114.596 -1.936 1
1 730 . 3 1 1 A 61 61 TYR H H 61 7.858 8.373 -0.515 1
1 731 . 3 1 1 A 61 61 TYR HA H 61 4.084 4.042 0.042 1
1 734 . 3 1 1 A 61 61 TYR C C 61 177.358 177.409 -0.051 1
1 735 . 3 1 1 A 61 61 TYR CA C 61 61.217 62.057 -0.840 1
1 736 . 3 1 1 A 61 61 TYR CB C 61 38.470 38.481 -0.011 1
1 739 . 3 1 1 A 61 61 TYR N N 61 122.550 121.646 0.904 1
1 740 . 3 1 1 A 62 62 TRP H H 62 7.754 7.618 0.136 1
1 741 . 3 1 1 A 62 62 TRP HA H 62 4.273 4.487 -0.214 1
1 750 . 3 1 1 A 62 62 TRP C C 62 176.694 179.084 -2.390 1
1 751 . 3 1 1 A 62 62 TRP CA C 62 58.061 60.556 -2.495 1
1 752 . 3 1 1 A 62 62 TRP CB C 62 30.047 29.504 0.543 1
1 758 . 3 1 1 A 62 62 TRP N N 62 116.320 120.023 -3.703 1
1 760 . 3 1 1 A 63 63 ASN H H 63 7.800 8.315 -0.515 1
1 761 . 3 1 1 A 63 63 ASN HA H 63 4.688 4.512 0.176 1
1 766 . 3 1 1 A 63 63 ASN C C 63 174.055 176.932 -2.877 1
1 767 . 3 1 1 A 63 63 ASN CA C 63 53.484 56.465 -2.981 1
1 768 . 3 1 1 A 63 63 ASN CB C 63 38.645 38.205 0.440 1
1 769 . 3 1 1 A 63 63 ASN N N 63 117.543 117.648 -0.105 1
1 1 . 4 1 1 A 6 6 SER HA H 6 4.447 4.578 -0.131 1
1 3 . 4 1 1 A 6 6 SER C C 6 174.919 175.038 -0.119 1
1 4 . 4 1 1 A 6 6 SER CA C 6 58.632 57.397 1.235 1
1 5 . 4 1 1 A 6 6 SER CB C 6 63.826 63.509 0.317 1
1 6 . 4 1 1 A 7 7 GLY H H 7 8.381 8.232 0.149 1
1 7 . 4 1 1 A 7 7 GLY HA2 H 7 3.956 3.835 0.121 1
1 8 . 4 1 1 A 7 7 GLY HA3 H 7 3.907 3.837 0.070 1
1 9 . 4 1 1 A 7 7 GLY C C 7 173.610 173.009 0.601 1
1 10 . 4 1 1 A 7 7 GLY CA C 7 45.128 46.506 -1.378 1
1 11 . 4 1 1 A 7 7 GLY N N 7 110.672 111.696 -1.024 1
1 12 . 4 1 1 A 8 8 LYS H H 8 7.989 8.440 -0.451 1
1 13 . 4 1 1 A 8 8 LYS HA H 8 4.430 4.812 -0.382 1
1 22 . 4 1 1 A 8 8 LYS C C 8 174.322 173.849 0.473 1
1 23 . 4 1 1 A 8 8 LYS CA C 8 53.436 52.991 0.445 1
1 24 . 4 1 1 A 8 8 LYS CB C 8 31.892 35.193 -3.301 1
1 28 . 4 1 1 A 8 8 LYS N N 8 121.270 121.069 0.201 1
1 29 . 4 1 1 A 9 9 PRO HA H 9 4.131 4.654 -0.523 1
1 36 . 4 1 1 A 9 9 PRO C C 9 177.331 176.117 1.214 1
1 37 . 4 1 1 A 9 9 PRO CA C 9 62.970 62.575 0.395 1
1 38 . 4 1 1 A 9 9 PRO CB C 9 31.894 33.159 -1.265 1
1 41 . 4 1 1 A 10 10 GLU H H 10 8.649 8.462 0.187 1
1 42 . 4 1 1 A 10 10 GLU HA H 10 3.960 4.179 -0.219 1
1 47 . 4 1 1 A 10 10 GLU C C 10 175.849 178.637 -2.788 1
1 48 . 4 1 1 A 10 10 GLU CA C 10 58.051 58.478 -0.427 1
1 49 . 4 1 1 A 10 10 GLU CB C 10 29.627 30.644 -1.017 1
1 51 . 4 1 1 A 10 10 GLU N N 10 120.707 119.947 0.760 1
1 52 . 4 1 1 A 11 11 TRP H H 11 7.131 8.152 -1.021 1
1 53 . 4 1 1 A 11 11 TRP HA H 11 4.548 4.467 0.081 1
1 62 . 4 1 1 A 11 11 TRP C C 11 176.362 176.726 -0.364 1
1 63 . 4 1 1 A 11 11 TRP CA C 11 55.758 59.926 -4.168 1
1 64 . 4 1 1 A 11 11 TRP CB C 11 29.285 28.075 1.210 1
1 70 . 4 1 1 A 11 11 TRP N N 11 115.904 118.660 -2.756 1
1 72 . 4 1 1 A 12 12 MET H H 12 7.289 6.952 0.337 1
1 73 . 4 1 1 A 12 12 MET HA H 12 4.054 3.907 0.147 1
1 81 . 4 1 1 A 12 12 MET C C 12 174.357 175.973 -1.616 1
1 82 . 4 1 1 A 12 12 MET CA C 12 55.900 54.257 1.643 1
1 83 . 4 1 1 A 12 12 MET CB C 12 31.808 31.930 -0.122 1
1 86 . 4 1 1 A 12 12 MET N N 12 122.155 120.850 1.305 1
1 87 . 4 1 1 A 13 13 MET H H 13 8.569 9.044 -0.475 1
1 88 . 4 1 1 A 13 13 MET HA H 13 4.890 5.254 -0.364 1
1 96 . 4 1 1 A 13 13 MET C C 13 175.898 174.490 1.408 1
1 97 . 4 1 1 A 13 13 MET CA C 13 53.784 53.730 0.054 1
1 98 . 4 1 1 A 13 13 MET CB C 13 35.100 37.021 -1.921 1
1 101 . 4 1 1 A 13 13 MET N N 13 121.084 122.794 -1.710 1
1 102 . 4 1 1 A 14 14 ILE H H 14 9.144 8.611 0.533 1
1 103 . 4 1 1 A 14 14 ILE HA H 14 2.912 4.417 -1.505 1
1 113 . 4 1 1 A 14 14 ILE C C 14 174.810 176.059 -1.249 1
1 114 . 4 1 1 A 14 14 ILE CA C 14 63.803 60.315 3.488 1
1 115 . 4 1 1 A 14 14 ILE CB C 14 38.974 38.872 0.102 1
1 119 . 4 1 1 A 14 14 ILE N N 14 125.919 121.022 4.897 1
1 120 . 4 1 1 A 15 15 HIS H H 15 8.926 8.595 0.331 1
1 121 . 4 1 1 A 15 15 HIS HA H 15 4.690 4.350 0.340 1
1 125 . 4 1 1 A 15 15 HIS C C 15 174.715 175.037 -0.322 1
1 126 . 4 1 1 A 15 15 HIS CA C 15 55.829 59.648 -3.819 1
1 127 . 4 1 1 A 15 15 HIS CB C 15 33.853 30.470 3.383 1
1 129 . 4 1 1 A 15 15 HIS N N 15 125.470 128.079 -2.609 1
1 130 . 4 1 1 A 16 16 ARG H H 16 7.529 7.645 -0.116 1
1 131 . 4 1 1 A 16 16 ARG HA H 16 4.193 4.822 -0.629 1
1 138 . 4 1 1 A 16 16 ARG C C 16 173.315 174.313 -0.998 1
1 139 . 4 1 1 A 16 16 ARG CA C 16 55.329 55.371 -0.042 1
1 140 . 4 1 1 A 16 16 ARG CB C 16 33.252 32.735 0.517 1
1 143 . 4 1 1 A 16 16 ARG N N 16 111.315 114.175 -2.860 1
1 144 . 4 1 1 A 17 17 ILE H H 17 8.396 8.886 -0.490 1
1 145 . 4 1 1 A 17 17 ILE HA H 17 4.052 3.956 0.096 1
1 155 . 4 1 1 A 17 17 ILE C C 17 175.341 175.207 0.134 1
1 156 . 4 1 1 A 17 17 ILE CA C 17 61.859 61.374 0.485 1
1 157 . 4 1 1 A 17 17 ILE CB C 17 37.952 36.665 1.287 1
1 161 . 4 1 1 A 17 17 ILE N N 17 121.157 123.786 -2.629 1
1 162 . 4 1 1 A 18 18 LEU H H 18 9.102 8.414 0.688 1
1 163 . 4 1 1 A 18 18 LEU HA H 18 4.253 3.942 0.311 1
1 173 . 4 1 1 A 18 18 LEU C C 18 176.622 176.398 0.224 1
1 174 . 4 1 1 A 18 18 LEU CA C 18 55.422 57.183 -1.761 1
1 175 . 4 1 1 A 18 18 LEU CB C 18 43.410 42.079 1.331 1
1 179 . 4 1 1 A 18 18 LEU N N 18 124.326 129.928 -5.602 1
1 180 . 4 1 1 A 19 19 ASN H H 19 7.343 7.395 -0.052 1
1 181 . 4 1 1 A 19 19 ASN HA H 19 5.227 4.970 0.257 1
1 186 . 4 1 1 A 19 19 ASN C C 19 172.527 173.313 -0.786 1
1 187 . 4 1 1 A 19 19 ASN CA C 19 51.140 52.252 -1.112 1
1 188 . 4 1 1 A 19 19 ASN CB C 19 40.795 41.665 -0.870 1
1 189 . 4 1 1 A 19 19 ASN N N 19 113.895 111.973 1.922 1
1 191 . 4 1 1 A 20 20 HIS H H 20 8.816 8.947 -0.131 1
1 192 . 4 1 1 A 20 20 HIS HA H 20 5.875 5.991 -0.116 1
1 197 . 4 1 1 A 20 20 HIS C C 20 173.013 172.828 0.185 1
1 198 . 4 1 1 A 20 20 HIS CA C 20 55.932 54.405 1.527 1
1 199 . 4 1 1 A 20 20 HIS CB C 20 35.190 33.556 1.634 1
1 202 . 4 1 1 A 20 20 HIS N N 20 118.537 116.687 1.850 1
1 203 . 4 1 1 A 21 21 SER H H 21 9.203 9.092 0.111 1
1 204 . 4 1 1 A 21 21 SER HA H 21 4.399 4.648 -0.249 1
1 207 . 4 1 1 A 21 21 SER C C 21 172.382 172.118 0.264 1
1 208 . 4 1 1 A 21 21 SER CA C 21 57.063 56.951 0.112 1
1 209 . 4 1 1 A 21 21 SER CB C 21 65.417 66.180 -0.763 1
1 210 . 4 1 1 A 21 21 SER N N 21 115.006 114.293 0.713 1
1 211 . 4 1 1 A 22 22 VAL H H 22 8.493 8.987 -0.494 1
1 212 . 4 1 1 A 22 22 VAL HA H 22 4.961 4.660 0.301 1
1 220 . 4 1 1 A 22 22 VAL C C 22 176.199 175.224 0.975 1
1 221 . 4 1 1 A 22 22 VAL CA C 22 61.066 59.935 1.131 1
1 222 . 4 1 1 A 22 22 VAL CB C 22 33.732 34.328 -0.596 1
1 225 . 4 1 1 A 22 22 VAL N N 22 124.080 126.782 -2.702 1
1 226 . 4 1 1 A 23 23 ASP H H 23 8.667 7.945 0.722 1
1 227 . 4 1 1 A 23 23 ASP HA H 23 4.688 4.530 0.158 1
1 230 . 4 1 1 A 23 23 ASP C C 23 178.629 177.105 1.524 1
1 231 . 4 1 1 A 23 23 ASP CA C 23 52.814 53.293 -0.479 1
1 232 . 4 1 1 A 23 23 ASP CB C 23 41.525 41.788 -0.263 1
1 233 . 4 1 1 A 23 23 ASP N N 23 127.673 127.294 0.379 1
1 234 . 4 1 1 A 24 24 LYS H H 24 8.242 8.717 -0.475 1
1 235 . 4 1 1 A 24 24 LYS HA H 24 4.077 3.912 0.165 1
1 244 . 4 1 1 A 24 24 LYS C C 24 177.637 178.453 -0.816 1
1 245 . 4 1 1 A 24 24 LYS CA C 24 58.419 59.751 -1.332 1
1 246 . 4 1 1 A 24 24 LYS CB C 24 32.057 32.035 0.022 1
1 250 . 4 1 1 A 24 24 LYS N N 24 116.378 119.657 -3.279 1
1 251 . 4 1 1 A 25 25 LYS H H 25 8.128 7.609 0.519 1
1 252 . 4 1 1 A 25 25 LYS HA H 25 4.379 4.066 0.313 1
1 261 . 4 1 1 A 25 25 LYS C C 25 176.600 176.403 0.197 1
1 262 . 4 1 1 A 25 25 LYS CA C 25 55.411 57.483 -2.072 1
1 263 . 4 1 1 A 25 25 LYS CB C 25 32.516 32.831 -0.315 1
1 267 . 4 1 1 A 25 25 LYS N N 25 118.184 117.794 0.390 1
1 268 . 4 1 1 A 26 26 GLY H H 26 8.040 7.669 0.371 1
1 269 . 4 1 1 A 26 26 GLY HA2 H 26 4.125 4.042 0.083 1
1 270 . 4 1 1 A 26 26 GLY HA3 H 26 3.428 4.076 -0.648 1
1 271 . 4 1 1 A 26 26 GLY C C 26 174.048 174.852 -0.804 1
1 272 . 4 1 1 A 26 26 GLY CA C 26 45.235 45.393 -0.158 1
1 273 . 4 1 1 A 26 26 GLY N N 26 108.208 105.923 2.285 1
1 274 . 4 1 1 A 27 27 HIS H H 27 8.599 8.048 0.551 1
1 275 . 4 1 1 A 27 27 HIS HA H 27 4.491 4.440 0.051 1
1 279 . 4 1 1 A 27 27 HIS C C 27 174.516 174.359 0.157 1
1 280 . 4 1 1 A 27 27 HIS CA C 27 55.935 57.844 -1.909 1
1 281 . 4 1 1 A 27 27 HIS CB C 27 29.257 30.248 -0.991 1
1 283 . 4 1 1 A 27 27 HIS N N 27 123.031 119.066 3.965 1
1 284 . 4 1 1 A 28 28 VAL H H 28 8.330 8.226 0.104 1
1 285 . 4 1 1 A 28 28 VAL HA H 28 4.776 3.980 0.796 1
1 293 . 4 1 1 A 28 28 VAL C C 28 174.798 175.472 -0.674 1
1 294 . 4 1 1 A 28 28 VAL CA C 28 62.070 63.110 -1.040 1
1 295 . 4 1 1 A 28 28 VAL CB C 28 32.965 31.834 1.131 1
1 298 . 4 1 1 A 28 28 VAL N N 28 127.641 125.081 2.560 1
1 299 . 4 1 1 A 29 29 HIS H H 29 8.887 9.199 -0.312 1
1 300 . 4 1 1 A 29 29 HIS HA H 29 5.071 5.401 -0.330 1
1 305 . 4 1 1 A 29 29 HIS C C 29 173.998 173.944 0.054 1
1 306 . 4 1 1 A 29 29 HIS CA C 29 54.841 53.892 0.949 1
1 307 . 4 1 1 A 29 29 HIS CB C 29 33.921 32.897 1.024 1
1 310 . 4 1 1 A 29 29 HIS N N 29 124.946 126.291 -1.345 1
1 311 . 4 1 1 A 30 30 TYR H H 30 9.630 9.436 0.194 1
1 312 . 4 1 1 A 30 30 TYR HA H 30 5.092 5.167 -0.075 1
1 319 . 4 1 1 A 30 30 TYR C C 30 173.451 174.705 -1.254 1
1 320 . 4 1 1 A 30 30 TYR CA C 30 57.627 56.387 1.240 1
1 321 . 4 1 1 A 30 30 TYR CB C 30 41.124 41.546 -0.422 1
1 326 . 4 1 1 A 30 30 TYR N N 30 119.246 121.001 -1.755 1
1 327 . 4 1 1 A 31 31 LEU H H 31 7.804 8.652 -0.848 1
1 328 . 4 1 1 A 31 31 LEU HA H 31 3.561 3.420 0.141 1
1 338 . 4 1 1 A 31 31 LEU C C 31 173.742 174.347 -0.605 1
1 339 . 4 1 1 A 31 31 LEU CA C 31 53.120 53.913 -0.793 1
1 340 . 4 1 1 A 31 31 LEU CB C 31 39.479 41.000 -1.521 1
1 344 . 4 1 1 A 31 31 LEU N N 31 125.982 125.978 0.004 1
1 345 . 4 1 1 A 32 32 ILE H H 32 8.861 8.121 0.740 1
1 346 . 4 1 1 A 32 32 ILE HA H 32 3.402 4.016 -0.614 1
1 356 . 4 1 1 A 32 32 ILE C C 32 173.769 174.286 -0.517 1
1 357 . 4 1 1 A 32 32 ILE CA C 32 61.356 60.698 0.658 1
1 358 . 4 1 1 A 32 32 ILE CB C 32 39.405 37.561 1.844 1
1 362 . 4 1 1 A 32 32 ILE N N 32 129.827 127.518 2.309 1
1 363 . 4 1 1 A 33 33 LYS H H 33 7.951 8.597 -0.646 1
1 364 . 4 1 1 A 33 33 LYS HA H 33 4.111 4.527 -0.416 1
1 373 . 4 1 1 A 33 33 LYS C C 33 174.920 174.982 -0.062 1
1 374 . 4 1 1 A 33 33 LYS CA C 33 54.849 54.601 0.248 1
1 375 . 4 1 1 A 33 33 LYS CB C 33 33.162 33.408 -0.246 1
1 379 . 4 1 1 A 33 33 LYS N N 33 124.612 127.452 -2.840 1
1 380 . 4 1 1 A 34 34 TRP H H 34 8.145 8.278 -0.133 1
1 381 . 4 1 1 A 34 34 TRP HA H 34 4.690 4.512 0.178 1
1 390 . 4 1 1 A 34 34 TRP C C 34 177.144 177.251 -0.107 1
1 391 . 4 1 1 A 34 34 TRP CA C 34 55.582 58.463 -2.881 1
1 392 . 4 1 1 A 34 34 TRP CB C 34 30.832 29.579 1.253 1
1 398 . 4 1 1 A 34 34 TRP N N 34 132.766 127.659 5.107 1
1 400 . 4 1 1 A 35 35 ARG H H 35 9.199 8.699 0.500 1
1 401 . 4 1 1 A 35 35 ARG HA H 35 3.742 4.138 -0.396 1
1 408 . 4 1 1 A 35 35 ARG C C 35 176.307 177.576 -1.269 1
1 409 . 4 1 1 A 35 35 ARG CA C 35 58.738 60.377 -1.639 1
1 410 . 4 1 1 A 35 35 ARG CB C 35 30.254 30.125 0.129 1
1 413 . 4 1 1 A 35 35 ARG N N 35 124.433 126.296 -1.863 1
1 414 . 4 1 1 A 36 36 ASP H H 36 8.812 8.383 0.429 1
1 415 . 4 1 1 A 36 36 ASP HA H 36 4.294 4.436 -0.142 1
1 418 . 4 1 1 A 36 36 ASP C C 36 174.269 177.833 -3.564 1
1 419 . 4 1 1 A 36 36 ASP CA C 36 55.948 57.408 -1.460 1
1 420 . 4 1 1 A 36 36 ASP CB C 36 39.960 40.352 -0.392 1
1 421 . 4 1 1 A 36 36 ASP N N 36 115.622 120.052 -4.430 1
1 422 . 4 1 1 A 37 37 LEU H H 37 7.372 7.778 -0.406 1
1 423 . 4 1 1 A 37 37 LEU HA H 37 4.966 4.533 0.433 1
1 433 . 4 1 1 A 37 37 LEU C C 37 174.638 174.894 -0.256 1
1 434 . 4 1 1 A 37 37 LEU CA C 37 51.968 53.551 -1.583 1
1 435 . 4 1 1 A 37 37 LEU CB C 37 44.421 41.272 3.149 1
1 439 . 4 1 1 A 37 37 LEU N N 37 119.137 119.210 -0.073 1
1 440 . 4 1 1 A 38 38 PRO HA H 38 4.559 4.645 -0.086 1
1 447 . 4 1 1 A 38 38 PRO C C 38 178.256 176.343 1.913 1
1 448 . 4 1 1 A 38 38 PRO CA C 38 62.332 62.429 -0.097 1
1 449 . 4 1 1 A 38 38 PRO CB C 38 33.232 33.367 -0.135 1
1 452 . 4 1 1 A 39 39 TYR H H 39 8.933 8.913 0.020 1
1 453 . 4 1 1 A 39 39 TYR HA H 39 3.758 4.182 -0.424 1
1 460 . 4 1 1 A 39 39 TYR C C 39 177.241 177.507 -0.266 1
1 461 . 4 1 1 A 39 39 TYR CA C 39 62.934 60.914 2.020 1
1 462 . 4 1 1 A 39 39 TYR CB C 39 38.451 38.871 -0.420 1
1 467 . 4 1 1 A 39 39 TYR N N 39 122.113 120.850 1.263 1
1 468 . 4 1 1 A 40 40 ASP H H 40 8.439 8.501 -0.062 1
1 469 . 4 1 1 A 40 40 ASP HA H 40 4.407 4.402 0.005 1
1 472 . 4 1 1 A 40 40 ASP C C 40 176.645 177.088 -0.443 1
1 473 . 4 1 1 A 40 40 ASP CA C 40 55.335 56.363 -1.028 1
1 474 . 4 1 1 A 40 40 ASP CB C 40 39.476 40.301 -0.825 1
1 475 . 4 1 1 A 40 40 ASP N N 40 115.019 119.012 -3.993 1
1 476 . 4 1 1 A 41 41 GLN H H 41 7.761 7.624 0.137 1
1 477 . 4 1 1 A 41 41 GLN HA H 41 4.457 4.397 0.060 1
1 484 . 4 1 1 A 41 41 GLN C C 41 175.665 176.110 -0.445 1
1 485 . 4 1 1 A 41 41 GLN CA C 41 55.031 55.789 -0.758 1
1 486 . 4 1 1 A 41 41 GLN CB C 41 29.606 30.120 -0.514 1
1 488 . 4 1 1 A 41 41 GLN N N 41 117.630 116.992 0.638 1
1 490 . 4 1 1 A 42 42 ALA H H 42 7.379 7.288 0.091 1
1 491 . 4 1 1 A 42 42 ALA HA H 42 4.776 4.091 0.685 1
1 495 . 4 1 1 A 42 42 ALA C C 42 177.103 176.647 0.456 1
1 496 . 4 1 1 A 42 42 ALA CA C 42 53.572 52.984 0.588 1
1 497 . 4 1 1 A 42 42 ALA CB C 42 18.951 19.122 -0.171 1
1 498 . 4 1 1 A 42 42 ALA N N 42 123.425 123.547 -0.122 1
1 499 . 4 1 1 A 43 43 SER H H 43 8.521 8.107 0.414 1
1 500 . 4 1 1 A 43 43 SER HA H 43 4.861 5.088 -0.227 1
1 503 . 4 1 1 A 43 43 SER C C 43 172.947 172.748 0.199 1
1 504 . 4 1 1 A 43 43 SER CA C 43 56.852 56.292 0.560 1
1 505 . 4 1 1 A 43 43 SER CB C 43 66.734 66.403 0.331 1
1 506 . 4 1 1 A 43 43 SER N N 43 115.967 115.039 0.928 1
1 507 . 4 1 1 A 44 44 TRP H H 44 8.699 8.880 -0.181 1
1 508 . 4 1 1 A 44 44 TRP HA H 44 5.081 5.028 0.053 1
1 517 . 4 1 1 A 44 44 TRP C C 44 177.207 176.159 1.048 1
1 518 . 4 1 1 A 44 44 TRP CA C 44 56.648 56.667 -0.019 1
1 519 . 4 1 1 A 44 44 TRP CB C 44 29.592 31.134 -1.542 1
1 525 . 4 1 1 A 44 44 TRP N N 44 123.015 123.682 -0.667 1
1 527 . 4 1 1 A 45 45 GLU H H 45 9.773 8.848 0.925 1
1 528 . 4 1 1 A 45 45 GLU HA H 45 5.156 4.907 0.249 1
1 533 . 4 1 1 A 45 45 GLU C C 45 176.249 175.302 0.947 1
1 534 . 4 1 1 A 45 45 GLU CA C 45 53.378 54.785 -1.407 1
1 535 . 4 1 1 A 45 45 GLU CB C 45 31.950 33.170 -1.220 1
1 537 . 4 1 1 A 45 45 GLU N N 45 122.799 121.775 1.024 1
1 538 . 4 1 1 A 46 46 SER H H 46 9.121 8.566 0.555 1
1 539 . 4 1 1 A 46 46 SER HA H 46 4.106 4.608 -0.502 1
1 542 . 4 1 1 A 46 46 SER C C 46 178.218 175.864 2.354 1
1 543 . 4 1 1 A 46 46 SER CA C 46 58.791 58.319 0.472 1
1 544 . 4 1 1 A 46 46 SER CB C 46 63.100 64.159 -1.059 1
1 545 . 4 1 1 A 46 46 SER N N 46 116.892 120.706 -3.814 1
1 546 . 4 1 1 A 47 47 GLU H H 47 8.588 9.001 -0.413 1
1 547 . 4 1 1 A 47 47 GLU HA H 47 4.327 4.675 -0.348 1
1 552 . 4 1 1 A 47 47 GLU C C 47 174.707 177.097 -2.390 1
1 553 . 4 1 1 A 47 47 GLU CA C 47 58.693 57.526 1.167 1
1 554 . 4 1 1 A 47 47 GLU CB C 47 29.990 28.902 1.088 1
1 556 . 4 1 1 A 47 47 GLU N N 47 125.534 123.547 1.987 1
1 557 . 4 1 1 A 48 48 ASP H H 48 8.415 8.141 0.274 1
1 558 . 4 1 1 A 48 48 ASP HA H 48 4.847 4.855 -0.008 1
1 561 . 4 1 1 A 48 48 ASP C C 48 176.853 176.135 0.718 1
1 562 . 4 1 1 A 48 48 ASP CA C 48 54.472 55.794 -1.322 1
1 563 . 4 1 1 A 48 48 ASP CB C 48 41.795 41.856 -0.061 1
1 564 . 4 1 1 A 48 48 ASP N N 48 117.812 120.017 -2.205 1
1 565 . 4 1 1 A 49 49 VAL H H 49 7.192 7.570 -0.378 1
1 566 . 4 1 1 A 49 49 VAL HA H 49 4.137 4.062 0.075 1
1 574 . 4 1 1 A 49 49 VAL C C 49 175.326 175.862 -0.536 1
1 575 . 4 1 1 A 49 49 VAL CA C 49 62.987 62.302 0.685 1
1 576 . 4 1 1 A 49 49 VAL CB C 49 32.759 32.254 0.505 1
1 579 . 4 1 1 A 49 49 VAL N N 49 118.329 116.297 2.032 1
1 580 . 4 1 1 A 50 50 GLU H H 50 8.417 8.740 -0.323 1
1 581 . 4 1 1 A 50 50 GLU HA H 50 4.526 4.942 -0.416 1
1 586 . 4 1 1 A 50 50 GLU C C 50 175.395 175.806 -0.411 1
1 587 . 4 1 1 A 50 50 GLU CA C 50 56.376 55.388 0.988 1
1 588 . 4 1 1 A 50 50 GLU CB C 50 29.216 30.849 -1.633 1
1 590 . 4 1 1 A 50 50 GLU N N 50 124.475 123.293 1.182 1
1 591 . 4 1 1 A 51 51 ILE H H 51 7.483 8.613 -1.130 1
1 592 . 4 1 1 A 51 51 ILE HA H 51 4.068 4.681 -0.613 1
1 602 . 4 1 1 A 51 51 ILE C C 51 175.838 175.019 0.819 1
1 603 . 4 1 1 A 51 51 ILE CA C 51 60.572 59.489 1.083 1
1 604 . 4 1 1 A 51 51 ILE CB C 51 41.701 41.167 0.534 1
1 608 . 4 1 1 A 51 51 ILE N N 51 125.565 126.043 -0.478 1
1 609 . 4 1 1 A 52 52 GLN H H 52 9.055 8.391 0.664 1
1 610 . 4 1 1 A 52 52 GLN HA H 52 4.042 3.896 0.146 1
1 617 . 4 1 1 A 52 52 GLN C C 52 176.011 176.443 -0.432 1
1 618 . 4 1 1 A 52 52 GLN CA C 52 58.264 57.384 0.880 1
1 619 . 4 1 1 A 52 52 GLN CB C 52 28.458 28.370 0.088 1
1 621 . 4 1 1 A 52 52 GLN N N 52 130.354 124.771 5.583 1
1 623 . 4 1 1 A 53 53 ASP H H 53 9.244 8.979 0.265 1
1 624 . 4 1 1 A 53 53 ASP HA H 53 4.529 4.409 0.120 1
1 627 . 4 1 1 A 53 53 ASP C C 53 176.419 176.077 0.342 1
1 628 . 4 1 1 A 53 53 ASP CA C 53 56.605 54.981 1.624 1
1 629 . 4 1 1 A 53 53 ASP CB C 53 39.788 38.706 1.082 1
1 630 . 4 1 1 A 53 53 ASP N N 53 119.289 125.861 -6.572 1
1 631 . 4 1 1 A 54 54 TYR H H 54 7.920 8.260 -0.340 1
1 632 . 4 1 1 A 54 54 TYR HA H 54 4.388 4.251 0.137 1
1 639 . 4 1 1 A 54 54 TYR C C 54 178.807 177.437 1.370 1
1 640 . 4 1 1 A 54 54 TYR CA C 54 57.557 61.299 -3.742 1
1 641 . 4 1 1 A 54 54 TYR CB C 54 37.745 39.016 -1.271 1
1 646 . 4 1 1 A 54 54 TYR N N 54 120.852 120.971 -0.119 1
1 647 . 4 1 1 A 55 55 ASP H H 55 8.942 8.126 0.816 1
1 648 . 4 1 1 A 55 55 ASP HA H 55 4.155 4.124 0.031 1
1 651 . 4 1 1 A 55 55 ASP C C 55 178.492 179.104 -0.612 1
1 652 . 4 1 1 A 55 55 ASP CA C 55 57.839 57.231 0.608 1
1 653 . 4 1 1 A 55 55 ASP CB C 55 39.955 40.301 -0.346 1
1 654 . 4 1 1 A 55 55 ASP N N 55 114.884 120.220 -5.336 1
1 655 . 4 1 1 A 56 56 LEU H H 56 7.585 8.376 -0.791 1
1 656 . 4 1 1 A 56 56 LEU HA H 56 3.968 3.949 0.019 1
1 666 . 4 1 1 A 56 56 LEU C C 56 180.237 179.283 0.954 1
1 667 . 4 1 1 A 56 56 LEU CA C 56 57.892 58.052 -0.160 1
1 668 . 4 1 1 A 56 56 LEU CB C 56 41.204 42.147 -0.943 1
1 672 . 4 1 1 A 56 56 LEU N N 56 121.328 120.594 0.734 1
1 673 . 4 1 1 A 57 57 PHE H H 57 7.735 8.234 -0.499 1
1 674 . 4 1 1 A 57 57 PHE HA H 57 4.182 4.200 -0.018 1
1 682 . 4 1 1 A 57 57 PHE C C 57 179.437 178.224 1.213 1
1 683 . 4 1 1 A 57 57 PHE CA C 57 62.756 61.083 1.673 1
1 684 . 4 1 1 A 57 57 PHE CB C 57 38.803 38.900 -0.097 1
1 690 . 4 1 1 A 57 57 PHE N N 57 118.200 117.521 0.679 1
1 691 . 4 1 1 A 58 58 LYS H H 58 8.834 7.949 0.885 1
1 692 . 4 1 1 A 58 58 LYS HA H 58 3.515 3.593 -0.078 1
1 701 . 4 1 1 A 58 58 LYS C C 58 177.565 178.900 -1.335 1
1 702 . 4 1 1 A 58 58 LYS CA C 58 60.851 59.638 1.213 1
1 703 . 4 1 1 A 58 58 LYS CB C 58 33.102 31.930 1.172 1
1 707 . 4 1 1 A 58 58 LYS N N 58 123.283 117.838 5.445 1
1 708 . 4 1 1 A 59 59 GLN H H 59 7.955 7.966 -0.011 1
1 709 . 4 1 1 A 59 59 GLN HA H 59 4.104 4.183 -0.079 1
1 716 . 4 1 1 A 59 59 GLN C C 59 178.948 178.458 0.490 1
1 717 . 4 1 1 A 59 59 GLN CA C 59 59.249 58.544 0.705 1
1 718 . 4 1 1 A 59 59 GLN CB C 59 28.185 28.622 -0.437 1
1 720 . 4 1 1 A 59 59 GLN N N 59 117.353 119.860 -2.507 1
1 722 . 4 1 1 A 60 60 SER H H 60 7.821 8.162 -0.341 1
1 723 . 4 1 1 A 60 60 SER HA H 60 4.233 4.033 0.200 1
1 726 . 4 1 1 A 60 60 SER C C 60 176.403 175.178 1.225 1
1 727 . 4 1 1 A 60 60 SER CA C 60 60.954 62.325 -1.371 1
1 728 . 4 1 1 A 60 60 SER CB C 60 63.007 63.249 -0.242 1
1 729 . 4 1 1 A 60 60 SER N N 60 112.660 117.885 -5.225 1
1 730 . 4 1 1 A 61 61 TYR H H 61 7.858 8.221 -0.363 1
1 731 . 4 1 1 A 61 61 TYR HA H 61 4.084 4.019 0.065 1
1 734 . 4 1 1 A 61 61 TYR C C 61 177.358 177.410 -0.052 1
1 735 . 4 1 1 A 61 61 TYR CA C 61 61.217 61.902 -0.685 1
1 736 . 4 1 1 A 61 61 TYR CB C 61 38.470 38.534 -0.064 1
1 739 . 4 1 1 A 61 61 TYR N N 61 122.550 121.404 1.146 1
1 740 . 4 1 1 A 62 62 TRP H H 62 7.754 7.552 0.202 1
1 741 . 4 1 1 A 62 62 TRP HA H 62 4.273 4.141 0.132 1
1 750 . 4 1 1 A 62 62 TRP C C 62 176.694 178.998 -2.304 1
1 751 . 4 1 1 A 62 62 TRP CA C 62 58.061 60.513 -2.452 1
1 752 . 4 1 1 A 62 62 TRP CB C 62 30.047 29.284 0.763 1
1 758 . 4 1 1 A 62 62 TRP N N 62 116.320 119.833 -3.513 1
1 760 . 4 1 1 A 63 63 ASN H H 63 7.800 8.417 -0.617 1
1 761 . 4 1 1 A 63 63 ASN HA H 63 4.688 4.372 0.316 1
1 766 . 4 1 1 A 63 63 ASN C C 63 174.055 177.022 -2.967 1
1 767 . 4 1 1 A 63 63 ASN CA C 63 53.484 56.276 -2.792 1
1 768 . 4 1 1 A 63 63 ASN CB C 63 38.645 37.775 0.870 1
1 769 . 4 1 1 A 63 63 ASN N N 63 117.543 117.910 -0.367 1
1 1 . 5 1 1 A 6 6 SER HA H 6 4.447 5.295 -0.848 1
1 3 . 5 1 1 A 6 6 SER C C 6 174.919 173.814 1.105 1
1 4 . 5 1 1 A 6 6 SER CA C 6 58.632 57.421 1.211 1
1 5 . 5 1 1 A 6 6 SER CB C 6 63.826 67.194 -3.368 1
1 6 . 5 1 1 A 7 7 GLY H H 7 8.381 8.225 0.156 1
1 7 . 5 1 1 A 7 7 GLY HA2 H 7 3.956 4.089 -0.133 1
1 8 . 5 1 1 A 7 7 GLY HA3 H 7 3.907 4.090 -0.183 1
1 9 . 5 1 1 A 7 7 GLY C C 7 173.610 173.856 -0.246 1
1 10 . 5 1 1 A 7 7 GLY CA C 7 45.128 46.018 -0.890 1
1 11 . 5 1 1 A 7 7 GLY N N 7 110.672 110.018 0.654 1
1 12 . 5 1 1 A 8 8 LYS H H 8 7.989 7.510 0.479 1
1 13 . 5 1 1 A 8 8 LYS HA H 8 4.430 4.602 -0.172 1
1 22 . 5 1 1 A 8 8 LYS C C 8 174.322 174.007 0.315 1
1 23 . 5 1 1 A 8 8 LYS CA C 8 53.436 53.122 0.314 1
1 24 . 5 1 1 A 8 8 LYS CB C 8 31.892 32.866 -0.974 1
1 28 . 5 1 1 A 8 8 LYS N N 8 121.270 118.675 2.595 1
1 29 . 5 1 1 A 9 9 PRO HA H 9 4.131 4.640 -0.509 1
1 36 . 5 1 1 A 9 9 PRO C C 9 177.331 175.952 1.379 1
1 37 . 5 1 1 A 9 9 PRO CA C 9 62.970 62.536 0.434 1
1 38 . 5 1 1 A 9 9 PRO CB C 9 31.894 33.271 -1.377 1
1 41 . 5 1 1 A 10 10 GLU H H 10 8.649 8.306 0.343 1
1 42 . 5 1 1 A 10 10 GLU HA H 10 3.960 4.212 -0.252 1
1 47 . 5 1 1 A 10 10 GLU C C 10 175.849 178.785 -2.936 1
1 48 . 5 1 1 A 10 10 GLU CA C 10 58.051 58.286 -0.235 1
1 49 . 5 1 1 A 10 10 GLU CB C 10 29.627 30.770 -1.143 1
1 51 . 5 1 1 A 10 10 GLU N N 10 120.707 119.299 1.408 1
1 52 . 5 1 1 A 11 11 TRP H H 11 7.131 8.200 -1.069 1
1 53 . 5 1 1 A 11 11 TRP HA H 11 4.548 4.478 0.070 1
1 62 . 5 1 1 A 11 11 TRP C C 11 176.362 176.730 -0.368 1
1 63 . 5 1 1 A 11 11 TRP CA C 11 55.758 59.945 -4.187 1
1 64 . 5 1 1 A 11 11 TRP CB C 11 29.285 28.008 1.277 1
1 70 . 5 1 1 A 11 11 TRP N N 11 115.904 119.048 -3.144 1
1 72 . 5 1 1 A 12 12 MET H H 12 7.289 6.835 0.454 1
1 73 . 5 1 1 A 12 12 MET HA H 12 4.054 3.915 0.139 1
1 81 . 5 1 1 A 12 12 MET C C 12 174.357 175.913 -1.556 1
1 82 . 5 1 1 A 12 12 MET CA C 12 55.900 54.588 1.312 1
1 83 . 5 1 1 A 12 12 MET CB C 12 31.808 31.610 0.198 1
1 86 . 5 1 1 A 12 12 MET N N 12 122.155 120.782 1.373 1
1 87 . 5 1 1 A 13 13 MET H H 13 8.569 8.995 -0.426 1
1 88 . 5 1 1 A 13 13 MET HA H 13 4.890 5.179 -0.289 1
1 96 . 5 1 1 A 13 13 MET C C 13 175.898 174.390 1.508 1
1 97 . 5 1 1 A 13 13 MET CA C 13 53.784 54.170 -0.386 1
1 98 . 5 1 1 A 13 13 MET CB C 13 35.100 37.364 -2.264 1
1 101 . 5 1 1 A 13 13 MET N N 13 121.084 121.821 -0.737 1
1 102 . 5 1 1 A 14 14 ILE H H 14 9.144 8.642 0.502 1
1 103 . 5 1 1 A 14 14 ILE HA H 14 2.912 4.345 -1.433 1
1 113 . 5 1 1 A 14 14 ILE C C 14 174.810 175.944 -1.134 1
1 114 . 5 1 1 A 14 14 ILE CA C 14 63.803 60.151 3.652 1
1 115 . 5 1 1 A 14 14 ILE CB C 14 38.974 38.681 0.293 1
1 119 . 5 1 1 A 14 14 ILE N N 14 125.919 121.111 4.808 1
1 120 . 5 1 1 A 15 15 HIS H H 15 8.926 8.569 0.357 1
1 121 . 5 1 1 A 15 15 HIS HA H 15 4.690 4.406 0.284 1
1 125 . 5 1 1 A 15 15 HIS C C 15 174.715 175.020 -0.305 1
1 126 . 5 1 1 A 15 15 HIS CA C 15 55.829 59.505 -3.676 1
1 127 . 5 1 1 A 15 15 HIS CB C 15 33.853 30.428 3.425 1
1 129 . 5 1 1 A 15 15 HIS N N 15 125.470 128.108 -2.638 1
1 130 . 5 1 1 A 16 16 ARG H H 16 7.529 7.620 -0.091 1
1 131 . 5 1 1 A 16 16 ARG HA H 16 4.193 4.867 -0.674 1
1 138 . 5 1 1 A 16 16 ARG C C 16 173.315 174.581 -1.266 1
1 139 . 5 1 1 A 16 16 ARG CA C 16 55.329 55.436 -0.107 1
1 140 . 5 1 1 A 16 16 ARG CB C 16 33.252 32.908 0.344 1
1 143 . 5 1 1 A 16 16 ARG N N 16 111.315 114.178 -2.863 1
1 144 . 5 1 1 A 17 17 ILE H H 17 8.396 8.921 -0.525 1
1 145 . 5 1 1 A 17 17 ILE HA H 17 4.052 3.891 0.161 1
1 155 . 5 1 1 A 17 17 ILE C C 17 175.341 175.247 0.094 1
1 156 . 5 1 1 A 17 17 ILE CA C 17 61.859 61.611 0.248 1
1 157 . 5 1 1 A 17 17 ILE CB C 17 37.952 36.733 1.219 1
1 161 . 5 1 1 A 17 17 ILE N N 17 121.157 123.882 -2.725 1
1 162 . 5 1 1 A 18 18 LEU H H 18 9.102 8.446 0.656 1
1 163 . 5 1 1 A 18 18 LEU HA H 18 4.253 3.996 0.257 1
1 173 . 5 1 1 A 18 18 LEU C C 18 176.622 176.335 0.287 1
1 174 . 5 1 1 A 18 18 LEU CA C 18 55.422 56.729 -1.307 1
1 175 . 5 1 1 A 18 18 LEU CB C 18 43.410 42.093 1.317 1
1 179 . 5 1 1 A 18 18 LEU N N 18 124.326 129.663 -5.337 1
1 180 . 5 1 1 A 19 19 ASN H H 19 7.343 7.331 0.012 1
1 181 . 5 1 1 A 19 19 ASN HA H 19 5.227 5.027 0.200 1
1 186 . 5 1 1 A 19 19 ASN C C 19 172.527 173.288 -0.761 1
1 187 . 5 1 1 A 19 19 ASN CA C 19 51.140 52.431 -1.291 1
1 188 . 5 1 1 A 19 19 ASN CB C 19 40.795 41.660 -0.865 1
1 189 . 5 1 1 A 19 19 ASN N N 19 113.895 111.939 1.956 1
1 191 . 5 1 1 A 20 20 HIS H H 20 8.816 8.950 -0.134 1
1 192 . 5 1 1 A 20 20 HIS HA H 20 5.875 6.008 -0.133 1
1 197 . 5 1 1 A 20 20 HIS C C 20 173.013 172.724 0.289 1
1 198 . 5 1 1 A 20 20 HIS CA C 20 55.932 54.423 1.509 1
1 199 . 5 1 1 A 20 20 HIS CB C 20 35.190 33.668 1.522 1
1 202 . 5 1 1 A 20 20 HIS N N 20 118.537 116.810 1.727 1
1 203 . 5 1 1 A 21 21 SER H H 21 9.203 8.842 0.361 1
1 204 . 5 1 1 A 21 21 SER HA H 21 4.399 4.618 -0.219 1
1 207 . 5 1 1 A 21 21 SER C C 21 172.382 172.564 -0.182 1
1 208 . 5 1 1 A 21 21 SER CA C 21 57.063 56.887 0.176 1
1 209 . 5 1 1 A 21 21 SER CB C 21 65.417 65.585 -0.168 1
1 210 . 5 1 1 A 21 21 SER N N 21 115.006 114.192 0.814 1
1 211 . 5 1 1 A 22 22 VAL H H 22 8.493 8.534 -0.041 1
1 212 . 5 1 1 A 22 22 VAL HA H 22 4.961 4.405 0.556 1
1 220 . 5 1 1 A 22 22 VAL C C 22 176.199 175.500 0.699 1
1 221 . 5 1 1 A 22 22 VAL CA C 22 61.066 61.242 -0.176 1
1 222 . 5 1 1 A 22 22 VAL CB C 22 33.732 33.028 0.704 1
1 225 . 5 1 1 A 22 22 VAL N N 22 124.080 124.648 -0.568 1
1 226 . 5 1 1 A 23 23 ASP H H 23 8.667 8.492 0.175 1
1 227 . 5 1 1 A 23 23 ASP HA H 23 4.688 4.644 0.044 1
1 230 . 5 1 1 A 23 23 ASP C C 23 178.629 176.166 2.463 1
1 231 . 5 1 1 A 23 23 ASP CA C 23 52.814 52.947 -0.133 1
1 232 . 5 1 1 A 23 23 ASP CB C 23 41.525 41.358 0.167 1
1 233 . 5 1 1 A 23 23 ASP N N 23 127.673 128.595 -0.922 1
1 234 . 5 1 1 A 24 24 LYS H H 24 8.242 8.912 -0.670 1
1 235 . 5 1 1 A 24 24 LYS HA H 24 4.077 3.883 0.194 1
1 244 . 5 1 1 A 24 24 LYS C C 24 177.637 178.309 -0.672 1
1 245 . 5 1 1 A 24 24 LYS CA C 24 58.419 59.869 -1.450 1
1 246 . 5 1 1 A 24 24 LYS CB C 24 32.057 32.107 -0.050 1
1 250 . 5 1 1 A 24 24 LYS N N 24 116.378 121.109 -4.731 1
1 251 . 5 1 1 A 25 25 LYS H H 25 8.128 7.628 0.500 1
1 252 . 5 1 1 A 25 25 LYS HA H 25 4.379 4.103 0.276 1
1 261 . 5 1 1 A 25 25 LYS C C 25 176.600 176.673 -0.073 1
1 262 . 5 1 1 A 25 25 LYS CA C 25 55.411 57.108 -1.697 1
1 263 . 5 1 1 A 25 25 LYS CB C 25 32.516 32.814 -0.298 1
1 267 . 5 1 1 A 25 25 LYS N N 25 118.184 116.362 1.822 1
1 268 . 5 1 1 A 26 26 GLY H H 26 8.040 7.953 0.087 1
1 269 . 5 1 1 A 26 26 GLY HA2 H 26 4.125 3.978 0.147 1
1 270 . 5 1 1 A 26 26 GLY HA3 H 26 3.428 4.014 -0.586 1
1 271 . 5 1 1 A 26 26 GLY C C 26 174.048 174.612 -0.564 1
1 272 . 5 1 1 A 26 26 GLY CA C 26 45.235 45.122 0.113 1
1 273 . 5 1 1 A 26 26 GLY N N 26 108.208 105.880 2.328 1
1 274 . 5 1 1 A 27 27 HIS H H 27 8.599 8.008 0.591 1
1 275 . 5 1 1 A 27 27 HIS HA H 27 4.491 4.458 0.033 1
1 279 . 5 1 1 A 27 27 HIS C C 27 174.516 174.545 -0.029 1
1 280 . 5 1 1 A 27 27 HIS CA C 27 55.935 57.213 -1.278 1
1 281 . 5 1 1 A 27 27 HIS CB C 27 29.257 29.890 -0.633 1
1 283 . 5 1 1 A 27 27 HIS N N 27 123.031 119.082 3.949 1
1 284 . 5 1 1 A 28 28 VAL H H 28 8.330 8.602 -0.272 1
1 285 . 5 1 1 A 28 28 VAL HA H 28 4.776 3.989 0.787 1
1 293 . 5 1 1 A 28 28 VAL C C 28 174.798 175.778 -0.980 1
1 294 . 5 1 1 A 28 28 VAL CA C 28 62.070 63.457 -1.387 1
1 295 . 5 1 1 A 28 28 VAL CB C 28 32.965 31.883 1.082 1
1 298 . 5 1 1 A 28 28 VAL N N 28 127.641 125.040 2.601 1
1 299 . 5 1 1 A 29 29 HIS H H 29 8.887 9.461 -0.574 1
1 300 . 5 1 1 A 29 29 HIS HA H 29 5.071 5.383 -0.312 1
1 305 . 5 1 1 A 29 29 HIS C C 29 173.998 174.154 -0.156 1
1 306 . 5 1 1 A 29 29 HIS CA C 29 54.841 54.421 0.420 1
1 307 . 5 1 1 A 29 29 HIS CB C 29 33.921 32.644 1.277 1
1 310 . 5 1 1 A 29 29 HIS N N 29 124.946 126.612 -1.666 1
1 311 . 5 1 1 A 30 30 TYR H H 30 9.630 9.134 0.496 1
1 312 . 5 1 1 A 30 30 TYR HA H 30 5.092 5.231 -0.139 1
1 319 . 5 1 1 A 30 30 TYR C C 30 173.451 174.682 -1.231 1
1 320 . 5 1 1 A 30 30 TYR CA C 30 57.627 56.361 1.266 1
1 321 . 5 1 1 A 30 30 TYR CB C 30 41.124 41.313 -0.189 1
1 326 . 5 1 1 A 30 30 TYR N N 30 119.246 120.525 -1.279 1
1 327 . 5 1 1 A 31 31 LEU H H 31 7.804 8.741 -0.937 1
1 328 . 5 1 1 A 31 31 LEU HA H 31 3.561 3.379 0.182 1
1 338 . 5 1 1 A 31 31 LEU C C 31 173.742 174.376 -0.634 1
1 339 . 5 1 1 A 31 31 LEU CA C 31 53.120 54.103 -0.983 1
1 340 . 5 1 1 A 31 31 LEU CB C 31 39.479 40.829 -1.350 1
1 344 . 5 1 1 A 31 31 LEU N N 31 125.982 126.041 -0.059 1
1 345 . 5 1 1 A 32 32 ILE H H 32 8.861 8.090 0.771 1
1 346 . 5 1 1 A 32 32 ILE HA H 32 3.402 4.034 -0.632 1
1 356 . 5 1 1 A 32 32 ILE C C 32 173.769 174.025 -0.256 1
1 357 . 5 1 1 A 32 32 ILE CA C 32 61.356 60.533 0.823 1
1 358 . 5 1 1 A 32 32 ILE CB C 32 39.405 37.225 2.180 1
1 362 . 5 1 1 A 32 32 ILE N N 32 129.827 127.830 1.997 1
1 363 . 5 1 1 A 33 33 LYS H H 33 7.951 8.520 -0.569 1
1 364 . 5 1 1 A 33 33 LYS HA H 33 4.111 4.355 -0.244 1
1 373 . 5 1 1 A 33 33 LYS C C 33 174.920 174.959 -0.039 1
1 374 . 5 1 1 A 33 33 LYS CA C 33 54.849 54.685 0.164 1
1 375 . 5 1 1 A 33 33 LYS CB C 33 33.162 32.881 0.281 1
1 379 . 5 1 1 A 33 33 LYS N N 33 124.612 127.571 -2.959 1
1 380 . 5 1 1 A 34 34 TRP H H 34 8.145 8.127 0.018 1
1 381 . 5 1 1 A 34 34 TRP HA H 34 4.690 4.503 0.187 1
1 390 . 5 1 1 A 34 34 TRP C C 34 177.144 177.144 0.000 1
1 391 . 5 1 1 A 34 34 TRP CA C 34 55.582 58.414 -2.832 1
1 392 . 5 1 1 A 34 34 TRP CB C 34 30.832 29.481 1.351 1
1 398 . 5 1 1 A 34 34 TRP N N 34 132.766 127.540 5.226 1
1 400 . 5 1 1 A 35 35 ARG H H 35 9.199 8.227 0.972 1
1 401 . 5 1 1 A 35 35 ARG HA H 35 3.742 4.233 -0.491 1
1 408 . 5 1 1 A 35 35 ARG C C 35 176.307 178.265 -1.958 1
1 409 . 5 1 1 A 35 35 ARG CA C 35 58.738 60.286 -1.548 1
1 410 . 5 1 1 A 35 35 ARG CB C 35 30.254 30.161 0.093 1
1 413 . 5 1 1 A 35 35 ARG N N 35 124.433 126.341 -1.908 1
1 414 . 5 1 1 A 36 36 ASP H H 36 8.812 8.426 0.386 1
1 415 . 5 1 1 A 36 36 ASP HA H 36 4.294 4.461 -0.167 1
1 418 . 5 1 1 A 36 36 ASP C C 36 174.269 176.652 -2.383 1
1 419 . 5 1 1 A 36 36 ASP CA C 36 55.948 57.640 -1.692 1
1 420 . 5 1 1 A 36 36 ASP CB C 36 39.960 41.823 -1.863 1
1 421 . 5 1 1 A 36 36 ASP N N 36 115.622 119.672 -4.050 1
1 422 . 5 1 1 A 37 37 LEU H H 37 7.372 7.794 -0.422 1
1 423 . 5 1 1 A 37 37 LEU HA H 37 4.966 4.520 0.446 1
1 433 . 5 1 1 A 37 37 LEU C C 37 174.638 174.874 -0.236 1
1 434 . 5 1 1 A 37 37 LEU CA C 37 51.968 53.473 -1.505 1
1 435 . 5 1 1 A 37 37 LEU CB C 37 44.421 40.905 3.516 1
1 439 . 5 1 1 A 37 37 LEU N N 37 119.137 120.387 -1.250 1
1 440 . 5 1 1 A 38 38 PRO HA H 38 4.559 4.597 -0.038 1
1 447 . 5 1 1 A 38 38 PRO C C 38 178.256 176.423 1.833 1
1 448 . 5 1 1 A 38 38 PRO CA C 38 62.332 62.397 -0.065 1
1 449 . 5 1 1 A 38 38 PRO CB C 38 33.232 33.391 -0.159 1
1 452 . 5 1 1 A 39 39 TYR H H 39 8.933 8.876 0.057 1
1 453 . 5 1 1 A 39 39 TYR HA H 39 3.758 4.082 -0.324 1
1 460 . 5 1 1 A 39 39 TYR C C 39 177.241 177.358 -0.117 1
1 461 . 5 1 1 A 39 39 TYR CA C 39 62.934 61.087 1.847 1
1 462 . 5 1 1 A 39 39 TYR CB C 39 38.451 38.941 -0.490 1
1 467 . 5 1 1 A 39 39 TYR N N 39 122.113 122.095 0.018 1
1 468 . 5 1 1 A 40 40 ASP H H 40 8.439 8.542 -0.103 1
1 469 . 5 1 1 A 40 40 ASP HA H 40 4.407 4.458 -0.051 1
1 472 . 5 1 1 A 40 40 ASP C C 40 176.645 177.223 -0.578 1
1 473 . 5 1 1 A 40 40 ASP CA C 40 55.335 55.806 -0.471 1
1 474 . 5 1 1 A 40 40 ASP CB C 40 39.476 40.395 -0.919 1
1 475 . 5 1 1 A 40 40 ASP N N 40 115.019 118.867 -3.848 1
1 476 . 5 1 1 A 41 41 GLN H H 41 7.761 7.668 0.093 1
1 477 . 5 1 1 A 41 41 GLN HA H 41 4.457 4.457 0.000 1
1 484 . 5 1 1 A 41 41 GLN C C 41 175.665 175.573 0.092 1
1 485 . 5 1 1 A 41 41 GLN CA C 41 55.031 55.138 -0.107 1
1 486 . 5 1 1 A 41 41 GLN CB C 41 29.606 29.860 -0.254 1
1 488 . 5 1 1 A 41 41 GLN N N 41 117.630 116.998 0.632 1
1 490 . 5 1 1 A 42 42 ALA H H 42 7.379 6.891 0.488 1
1 491 . 5 1 1 A 42 42 ALA HA H 42 4.776 4.072 0.704 1
1 495 . 5 1 1 A 42 42 ALA C C 42 177.103 177.258 -0.155 1
1 496 . 5 1 1 A 42 42 ALA CA C 42 53.572 52.843 0.729 1
1 497 . 5 1 1 A 42 42 ALA CB C 42 18.951 18.769 0.182 1
1 498 . 5 1 1 A 42 42 ALA N N 42 123.425 124.095 -0.670 1
1 499 . 5 1 1 A 43 43 SER H H 43 8.521 7.979 0.542 1
1 500 . 5 1 1 A 43 43 SER HA H 43 4.861 5.069 -0.208 1
1 503 . 5 1 1 A 43 43 SER C C 43 172.947 173.071 -0.124 1
1 504 . 5 1 1 A 43 43 SER CA C 43 56.852 57.197 -0.345 1
1 505 . 5 1 1 A 43 43 SER CB C 43 66.734 65.799 0.935 1
1 506 . 5 1 1 A 43 43 SER N N 43 115.967 115.921 0.046 1
1 507 . 5 1 1 A 44 44 TRP H H 44 8.699 8.862 -0.163 1
1 508 . 5 1 1 A 44 44 TRP HA H 44 5.081 4.837 0.244 1
1 517 . 5 1 1 A 44 44 TRP C C 44 177.207 176.404 0.803 1
1 518 . 5 1 1 A 44 44 TRP CA C 44 56.648 57.633 -0.985 1
1 519 . 5 1 1 A 44 44 TRP CB C 44 29.592 30.950 -1.358 1
1 525 . 5 1 1 A 44 44 TRP N N 44 123.015 124.640 -1.625 1
1 527 . 5 1 1 A 45 45 GLU H H 45 9.773 8.797 0.976 1
1 528 . 5 1 1 A 45 45 GLU HA H 45 5.156 4.949 0.207 1
1 533 . 5 1 1 A 45 45 GLU C C 45 176.249 175.714 0.535 1
1 534 . 5 1 1 A 45 45 GLU CA C 45 53.378 54.779 -1.401 1
1 535 . 5 1 1 A 45 45 GLU CB C 45 31.950 32.343 -0.393 1
1 537 . 5 1 1 A 45 45 GLU N N 45 122.799 122.414 0.385 1
1 538 . 5 1 1 A 46 46 SER H H 46 9.121 8.615 0.506 1
1 539 . 5 1 1 A 46 46 SER HA H 46 4.106 4.484 -0.378 1
1 542 . 5 1 1 A 46 46 SER C C 46 178.218 176.100 2.118 1
1 543 . 5 1 1 A 46 46 SER CA C 46 58.791 58.330 0.461 1
1 544 . 5 1 1 A 46 46 SER CB C 46 63.100 64.085 -0.985 1
1 545 . 5 1 1 A 46 46 SER N N 46 116.892 120.680 -3.788 1
1 546 . 5 1 1 A 47 47 GLU H H 47 8.588 8.677 -0.089 1
1 547 . 5 1 1 A 47 47 GLU HA H 47 4.327 4.846 -0.519 1
1 552 . 5 1 1 A 47 47 GLU C C 47 174.707 176.762 -2.055 1
1 553 . 5 1 1 A 47 47 GLU CA C 47 58.693 56.826 1.867 1
1 554 . 5 1 1 A 47 47 GLU CB C 47 29.990 29.325 0.665 1
1 556 . 5 1 1 A 47 47 GLU N N 47 125.534 123.494 2.040 1
1 557 . 5 1 1 A 48 48 ASP H H 48 8.415 8.408 0.007 1
1 558 . 5 1 1 A 48 48 ASP HA H 48 4.847 4.926 -0.079 1
1 561 . 5 1 1 A 48 48 ASP C C 48 176.853 176.016 0.837 1
1 562 . 5 1 1 A 48 48 ASP CA C 48 54.472 55.059 -0.587 1
1 563 . 5 1 1 A 48 48 ASP CB C 48 41.795 42.601 -0.806 1
1 564 . 5 1 1 A 48 48 ASP N N 48 117.812 119.999 -2.187 1
1 565 . 5 1 1 A 49 49 VAL H H 49 7.192 7.602 -0.410 1
1 566 . 5 1 1 A 49 49 VAL HA H 49 4.137 4.132 0.005 1
1 574 . 5 1 1 A 49 49 VAL C C 49 175.326 175.693 -0.367 1
1 575 . 5 1 1 A 49 49 VAL CA C 49 62.987 62.321 0.666 1
1 576 . 5 1 1 A 49 49 VAL CB C 49 32.759 32.465 0.294 1
1 579 . 5 1 1 A 49 49 VAL N N 49 118.329 115.937 2.392 1
1 580 . 5 1 1 A 50 50 GLU H H 50 8.417 8.481 -0.064 1
1 581 . 5 1 1 A 50 50 GLU HA H 50 4.526 4.792 -0.266 1
1 586 . 5 1 1 A 50 50 GLU C C 50 175.395 176.014 -0.619 1
1 587 . 5 1 1 A 50 50 GLU CA C 50 56.376 55.777 0.599 1
1 588 . 5 1 1 A 50 50 GLU CB C 50 29.216 30.258 -1.042 1
1 590 . 5 1 1 A 50 50 GLU N N 50 124.475 123.972 0.503 1
1 591 . 5 1 1 A 51 51 ILE H H 51 7.483 8.666 -1.183 1
1 592 . 5 1 1 A 51 51 ILE HA H 51 4.068 4.581 -0.513 1
1 602 . 5 1 1 A 51 51 ILE C C 51 175.838 174.979 0.859 1
1 603 . 5 1 1 A 51 51 ILE CA C 51 60.572 59.256 1.316 1
1 604 . 5 1 1 A 51 51 ILE CB C 51 41.701 41.785 -0.084 1
1 608 . 5 1 1 A 51 51 ILE N N 51 125.565 125.603 -0.038 1
1 609 . 5 1 1 A 52 52 GLN H H 52 9.055 8.525 0.530 1
1 610 . 5 1 1 A 52 52 GLN HA H 52 4.042 3.908 0.134 1
1 617 . 5 1 1 A 52 52 GLN C C 52 176.011 176.245 -0.234 1
1 618 . 5 1 1 A 52 52 GLN CA C 52 58.264 57.719 0.545 1
1 619 . 5 1 1 A 52 52 GLN CB C 52 28.458 28.412 0.046 1
1 621 . 5 1 1 A 52 52 GLN N N 52 130.354 125.356 4.998 1
1 623 . 5 1 1 A 53 53 ASP H H 53 9.244 9.442 -0.198 1
1 624 . 5 1 1 A 53 53 ASP HA H 53 4.529 4.360 0.169 1
1 627 . 5 1 1 A 53 53 ASP C C 53 176.419 175.565 0.854 1
1 628 . 5 1 1 A 53 53 ASP CA C 53 56.605 55.508 1.097 1
1 629 . 5 1 1 A 53 53 ASP CB C 53 39.788 38.956 0.832 1
1 630 . 5 1 1 A 53 53 ASP N N 53 119.289 122.401 -3.112 1
1 631 . 5 1 1 A 54 54 TYR H H 54 7.920 8.245 -0.325 1
1 632 . 5 1 1 A 54 54 TYR HA H 54 4.388 4.301 0.087 1
1 639 . 5 1 1 A 54 54 TYR C C 54 178.807 177.516 1.291 1
1 640 . 5 1 1 A 54 54 TYR CA C 54 57.557 61.208 -3.651 1
1 641 . 5 1 1 A 54 54 TYR CB C 54 37.745 38.772 -1.027 1
1 646 . 5 1 1 A 54 54 TYR N N 54 120.852 119.340 1.512 1
1 647 . 5 1 1 A 55 55 ASP H H 55 8.942 8.152 0.790 1
1 648 . 5 1 1 A 55 55 ASP HA H 55 4.155 4.262 -0.107 1
1 651 . 5 1 1 A 55 55 ASP C C 55 178.492 178.949 -0.457 1
1 652 . 5 1 1 A 55 55 ASP CA C 55 57.839 57.296 0.543 1
1 653 . 5 1 1 A 55 55 ASP CB C 55 39.955 40.329 -0.374 1
1 654 . 5 1 1 A 55 55 ASP N N 55 114.884 120.230 -5.346 1
1 655 . 5 1 1 A 56 56 LEU H H 56 7.585 8.393 -0.808 1
1 656 . 5 1 1 A 56 56 LEU HA H 56 3.968 3.934 0.034 1
1 666 . 5 1 1 A 56 56 LEU C C 56 180.237 179.217 1.020 1
1 667 . 5 1 1 A 56 56 LEU CA C 56 57.892 58.282 -0.390 1
1 668 . 5 1 1 A 56 56 LEU CB C 56 41.204 42.056 -0.852 1
1 672 . 5 1 1 A 56 56 LEU N N 56 121.328 120.411 0.917 1
1 673 . 5 1 1 A 57 57 PHE H H 57 7.735 8.177 -0.442 1
1 674 . 5 1 1 A 57 57 PHE HA H 57 4.182 4.206 -0.024 1
1 682 . 5 1 1 A 57 57 PHE C C 57 179.437 178.243 1.194 1
1 683 . 5 1 1 A 57 57 PHE CA C 57 62.756 61.121 1.635 1
1 684 . 5 1 1 A 57 57 PHE CB C 57 38.803 39.034 -0.231 1
1 690 . 5 1 1 A 57 57 PHE N N 57 118.200 117.752 0.448 1
1 691 . 5 1 1 A 58 58 LYS H H 58 8.834 7.869 0.965 1
1 692 . 5 1 1 A 58 58 LYS HA H 58 3.515 3.747 -0.232 1
1 701 . 5 1 1 A 58 58 LYS C C 58 177.565 179.077 -1.512 1
1 702 . 5 1 1 A 58 58 LYS CA C 58 60.851 59.745 1.106 1
1 703 . 5 1 1 A 58 58 LYS CB C 58 33.102 32.015 1.087 1
1 707 . 5 1 1 A 58 58 LYS N N 58 123.283 117.967 5.316 1
1 708 . 5 1 1 A 59 59 GLN H H 59 7.955 8.545 -0.590 1
1 709 . 5 1 1 A 59 59 GLN HA H 59 4.104 4.244 -0.140 1
1 716 . 5 1 1 A 59 59 GLN C C 59 178.948 178.362 0.586 1
1 717 . 5 1 1 A 59 59 GLN CA C 59 59.249 58.901 0.348 1
1 718 . 5 1 1 A 59 59 GLN CB C 59 28.185 28.641 -0.456 1
1 720 . 5 1 1 A 59 59 GLN N N 59 117.353 120.123 -2.770 1
1 722 . 5 1 1 A 60 60 SER H H 60 7.821 8.096 -0.275 1
1 723 . 5 1 1 A 60 60 SER HA H 60 4.233 4.193 0.040 1
1 726 . 5 1 1 A 60 60 SER C C 60 176.403 175.430 0.973 1
1 727 . 5 1 1 A 60 60 SER CA C 60 60.954 62.445 -1.491 1
1 728 . 5 1 1 A 60 60 SER CB C 60 63.007 63.591 -0.584 1
1 729 . 5 1 1 A 60 60 SER N N 60 112.660 117.789 -5.129 1
1 730 . 5 1 1 A 61 61 TYR H H 61 7.858 8.634 -0.776 1
1 731 . 5 1 1 A 61 61 TYR HA H 61 4.084 4.071 0.013 1
1 734 . 5 1 1 A 61 61 TYR C C 61 177.358 177.819 -0.461 1
1 735 . 5 1 1 A 61 61 TYR CA C 61 61.217 61.930 -0.713 1
1 736 . 5 1 1 A 61 61 TYR CB C 61 38.470 38.530 -0.060 1
1 739 . 5 1 1 A 61 61 TYR N N 61 122.550 121.969 0.581 1
1 740 . 5 1 1 A 62 62 TRP H H 62 7.754 7.651 0.103 1
1 741 . 5 1 1 A 62 62 TRP HA H 62 4.273 4.092 0.181 1
1 750 . 5 1 1 A 62 62 TRP C C 62 176.694 178.956 -2.262 1
1 751 . 5 1 1 A 62 62 TRP CA C 62 58.061 60.609 -2.548 1
1 752 . 5 1 1 A 62 62 TRP CB C 62 30.047 29.221 0.826 1
1 758 . 5 1 1 A 62 62 TRP N N 62 116.320 119.793 -3.473 1
1 760 . 5 1 1 A 63 63 ASN H H 63 7.800 8.448 -0.648 1
1 761 . 5 1 1 A 63 63 ASN HA H 63 4.688 4.445 0.243 1
1 766 . 5 1 1 A 63 63 ASN C C 63 174.055 178.038 -3.983 1
1 767 . 5 1 1 A 63 63 ASN CA C 63 53.484 56.373 -2.889 1
1 768 . 5 1 1 A 63 63 ASN CB C 63 38.645 38.358 0.287 1
1 769 . 5 1 1 A 63 63 ASN N N 63 117.543 117.582 -0.039 1
1 1 . 6 1 1 A 6 6 SER HA H 6 4.447 4.399 0.048 1
1 3 . 6 1 1 A 6 6 SER C C 6 174.919 174.804 0.115 1
1 4 . 6 1 1 A 6 6 SER CA C 6 58.632 58.450 0.182 1
1 5 . 6 1 1 A 6 6 SER CB C 6 63.826 63.566 0.260 1
1 6 . 6 1 1 A 7 7 GLY H H 7 8.381 8.666 -0.285 1
1 7 . 6 1 1 A 7 7 GLY HA2 H 7 3.956 4.127 -0.171 1
1 8 . 6 1 1 A 7 7 GLY HA3 H 7 3.907 4.128 -0.221 1
1 9 . 6 1 1 A 7 7 GLY C C 7 173.610 172.589 1.021 1
1 10 . 6 1 1 A 7 7 GLY CA C 7 45.128 44.631 0.497 1
1 11 . 6 1 1 A 7 7 GLY N N 7 110.672 109.199 1.473 1
1 12 . 6 1 1 A 8 8 LYS H H 8 7.989 8.530 -0.541 1
1 13 . 6 1 1 A 8 8 LYS HA H 8 4.430 4.584 -0.154 1
1 22 . 6 1 1 A 8 8 LYS C C 8 174.322 174.163 0.159 1
1 23 . 6 1 1 A 8 8 LYS CA C 8 53.436 53.615 -0.179 1
1 24 . 6 1 1 A 8 8 LYS CB C 8 31.892 31.895 -0.003 1
1 28 . 6 1 1 A 8 8 LYS N N 8 121.270 120.594 0.676 1
1 29 . 6 1 1 A 9 9 PRO HA H 9 4.131 4.548 -0.417 1
1 36 . 6 1 1 A 9 9 PRO C C 9 177.331 176.879 0.452 1
1 37 . 6 1 1 A 9 9 PRO CA C 9 62.970 62.615 0.355 1
1 38 . 6 1 1 A 9 9 PRO CB C 9 31.894 32.260 -0.366 1
1 41 . 6 1 1 A 10 10 GLU H H 10 8.649 8.563 0.086 1
1 42 . 6 1 1 A 10 10 GLU HA H 10 3.960 3.946 0.014 1
1 47 . 6 1 1 A 10 10 GLU C C 10 175.849 178.748 -2.899 1
1 48 . 6 1 1 A 10 10 GLU CA C 10 58.051 58.878 -0.827 1
1 49 . 6 1 1 A 10 10 GLU CB C 10 29.627 29.666 -0.039 1
1 51 . 6 1 1 A 10 10 GLU N N 10 120.707 121.620 -0.913 1
1 52 . 6 1 1 A 11 11 TRP H H 11 7.131 8.183 -1.052 1
1 53 . 6 1 1 A 11 11 TRP HA H 11 4.548 4.484 0.064 1
1 62 . 6 1 1 A 11 11 TRP C C 11 176.362 176.737 -0.375 1
1 63 . 6 1 1 A 11 11 TRP CA C 11 55.758 59.953 -4.195 1
1 64 . 6 1 1 A 11 11 TRP CB C 11 29.285 28.240 1.045 1
1 70 . 6 1 1 A 11 11 TRP N N 11 115.904 119.305 -3.401 1
1 72 . 6 1 1 A 12 12 MET H H 12 7.289 6.955 0.334 1
1 73 . 6 1 1 A 12 12 MET HA H 12 4.054 3.939 0.115 1
1 81 . 6 1 1 A 12 12 MET C C 12 174.357 175.856 -1.499 1
1 82 . 6 1 1 A 12 12 MET CA C 12 55.900 54.252 1.648 1
1 83 . 6 1 1 A 12 12 MET CB C 12 31.808 31.681 0.127 1
1 86 . 6 1 1 A 12 12 MET N N 12 122.155 120.790 1.365 1
1 87 . 6 1 1 A 13 13 MET H H 13 8.569 9.036 -0.467 1
1 88 . 6 1 1 A 13 13 MET HA H 13 4.890 5.285 -0.395 1
1 96 . 6 1 1 A 13 13 MET C C 13 175.898 174.538 1.360 1
1 97 . 6 1 1 A 13 13 MET CA C 13 53.784 53.774 0.010 1
1 98 . 6 1 1 A 13 13 MET CB C 13 35.100 37.395 -2.295 1
1 101 . 6 1 1 A 13 13 MET N N 13 121.084 122.052 -0.968 1
1 102 . 6 1 1 A 14 14 ILE H H 14 9.144 8.650 0.494 1
1 103 . 6 1 1 A 14 14 ILE HA H 14 2.912 4.398 -1.486 1
1 113 . 6 1 1 A 14 14 ILE C C 14 174.810 176.013 -1.203 1
1 114 . 6 1 1 A 14 14 ILE CA C 14 63.803 60.276 3.527 1
1 115 . 6 1 1 A 14 14 ILE CB C 14 38.974 38.901 0.073 1
1 119 . 6 1 1 A 14 14 ILE N N 14 125.919 120.578 5.341 1
1 120 . 6 1 1 A 15 15 HIS H H 15 8.926 8.478 0.448 1
1 121 . 6 1 1 A 15 15 HIS HA H 15 4.690 4.349 0.341 1
1 125 . 6 1 1 A 15 15 HIS C C 15 174.715 174.970 -0.255 1
1 126 . 6 1 1 A 15 15 HIS CA C 15 55.829 59.796 -3.967 1
1 127 . 6 1 1 A 15 15 HIS CB C 15 33.853 30.410 3.443 1
1 129 . 6 1 1 A 15 15 HIS N N 15 125.470 128.221 -2.751 1
1 130 . 6 1 1 A 16 16 ARG H H 16 7.529 7.592 -0.063 1
1 131 . 6 1 1 A 16 16 ARG HA H 16 4.193 4.858 -0.665 1
1 138 . 6 1 1 A 16 16 ARG C C 16 173.315 174.380 -1.065 1
1 139 . 6 1 1 A 16 16 ARG CA C 16 55.329 55.382 -0.053 1
1 140 . 6 1 1 A 16 16 ARG CB C 16 33.252 32.746 0.506 1
1 143 . 6 1 1 A 16 16 ARG N N 16 111.315 114.130 -2.815 1
1 144 . 6 1 1 A 17 17 ILE H H 17 8.396 8.875 -0.479 1
1 145 . 6 1 1 A 17 17 ILE HA H 17 4.052 3.965 0.087 1
1 155 . 6 1 1 A 17 17 ILE C C 17 175.341 175.273 0.068 1
1 156 . 6 1 1 A 17 17 ILE CA C 17 61.859 61.532 0.327 1
1 157 . 6 1 1 A 17 17 ILE CB C 17 37.952 36.513 1.439 1
1 161 . 6 1 1 A 17 17 ILE N N 17 121.157 123.955 -2.798 1
1 162 . 6 1 1 A 18 18 LEU H H 18 9.102 8.383 0.719 1
1 163 . 6 1 1 A 18 18 LEU HA H 18 4.253 3.914 0.339 1
1 173 . 6 1 1 A 18 18 LEU C C 18 176.622 176.338 0.284 1
1 174 . 6 1 1 A 18 18 LEU CA C 18 55.422 57.117 -1.695 1
1 175 . 6 1 1 A 18 18 LEU CB C 18 43.410 41.956 1.454 1
1 179 . 6 1 1 A 18 18 LEU N N 18 124.326 129.940 -5.614 1
1 180 . 6 1 1 A 19 19 ASN H H 19 7.343 7.374 -0.031 1
1 181 . 6 1 1 A 19 19 ASN HA H 19 5.227 5.006 0.221 1
1 186 . 6 1 1 A 19 19 ASN C C 19 172.527 173.320 -0.793 1
1 187 . 6 1 1 A 19 19 ASN CA C 19 51.140 52.383 -1.243 1
1 188 . 6 1 1 A 19 19 ASN CB C 19 40.795 41.667 -0.872 1
1 189 . 6 1 1 A 19 19 ASN N N 19 113.895 111.989 1.906 1
1 191 . 6 1 1 A 20 20 HIS H H 20 8.816 8.844 -0.028 1
1 192 . 6 1 1 A 20 20 HIS HA H 20 5.875 6.104 -0.229 1
1 197 . 6 1 1 A 20 20 HIS C C 20 173.013 172.567 0.446 1
1 198 . 6 1 1 A 20 20 HIS CA C 20 55.932 54.520 1.412 1
1 199 . 6 1 1 A 20 20 HIS CB C 20 35.190 33.747 1.443 1
1 202 . 6 1 1 A 20 20 HIS N N 20 118.537 116.798 1.739 1
1 203 . 6 1 1 A 21 21 SER H H 21 9.203 9.048 0.155 1
1 204 . 6 1 1 A 21 21 SER HA H 21 4.399 4.846 -0.447 1
1 207 . 6 1 1 A 21 21 SER C C 21 172.382 172.201 0.181 1
1 208 . 6 1 1 A 21 21 SER CA C 21 57.063 56.724 0.339 1
1 209 . 6 1 1 A 21 21 SER CB C 21 65.417 65.299 0.118 1
1 210 . 6 1 1 A 21 21 SER N N 21 115.006 114.467 0.539 1
1 211 . 6 1 1 A 22 22 VAL H H 22 8.493 8.923 -0.430 1
1 212 . 6 1 1 A 22 22 VAL HA H 22 4.961 4.714 0.247 1
1 220 . 6 1 1 A 22 22 VAL C C 22 176.199 174.418 1.781 1
1 221 . 6 1 1 A 22 22 VAL CA C 22 61.066 60.296 0.770 1
1 222 . 6 1 1 A 22 22 VAL CB C 22 33.732 34.052 -0.320 1
1 225 . 6 1 1 A 22 22 VAL N N 22 124.080 128.051 -3.971 1
1 226 . 6 1 1 A 23 23 ASP H H 23 8.667 8.276 0.391 1
1 227 . 6 1 1 A 23 23 ASP HA H 23 4.688 4.493 0.195 1
1 230 . 6 1 1 A 23 23 ASP C C 23 178.629 177.485 1.144 1
1 231 . 6 1 1 A 23 23 ASP CA C 23 52.814 53.956 -1.142 1
1 232 . 6 1 1 A 23 23 ASP CB C 23 41.525 42.110 -0.585 1
1 233 . 6 1 1 A 23 23 ASP N N 23 127.673 128.857 -1.184 1
1 234 . 6 1 1 A 24 24 LYS H H 24 8.242 8.814 -0.572 1
1 235 . 6 1 1 A 24 24 LYS HA H 24 4.077 3.953 0.124 1
1 244 . 6 1 1 A 24 24 LYS C C 24 177.637 178.425 -0.788 1
1 245 . 6 1 1 A 24 24 LYS CA C 24 58.419 58.905 -0.486 1
1 246 . 6 1 1 A 24 24 LYS CB C 24 32.057 32.436 -0.379 1
1 250 . 6 1 1 A 24 24 LYS N N 24 116.378 125.456 -9.078 1
1 251 . 6 1 1 A 25 25 LYS H H 25 8.128 7.588 0.540 1
1 252 . 6 1 1 A 25 25 LYS HA H 25 4.379 4.077 0.302 1
1 261 . 6 1 1 A 25 25 LYS C C 25 176.600 176.419 0.181 1
1 262 . 6 1 1 A 25 25 LYS CA C 25 55.411 57.244 -1.833 1
1 263 . 6 1 1 A 25 25 LYS CB C 25 32.516 32.879 -0.363 1
1 267 . 6 1 1 A 25 25 LYS N N 25 118.184 116.170 2.014 1
1 268 . 6 1 1 A 26 26 GLY H H 26 8.040 7.810 0.230 1
1 269 . 6 1 1 A 26 26 GLY HA2 H 26 4.125 4.046 0.079 1
1 270 . 6 1 1 A 26 26 GLY HA3 H 26 3.428 4.078 -0.650 1
1 271 . 6 1 1 A 26 26 GLY C C 26 174.048 174.792 -0.744 1
1 272 . 6 1 1 A 26 26 GLY CA C 26 45.235 45.372 -0.137 1
1 273 . 6 1 1 A 26 26 GLY N N 26 108.208 105.893 2.315 1
1 274 . 6 1 1 A 27 27 HIS H H 27 8.599 8.012 0.587 1
1 275 . 6 1 1 A 27 27 HIS HA H 27 4.491 4.486 0.005 1
1 279 . 6 1 1 A 27 27 HIS C C 27 174.516 174.321 0.195 1
1 280 . 6 1 1 A 27 27 HIS CA C 27 55.935 57.325 -1.390 1
1 281 . 6 1 1 A 27 27 HIS CB C 27 29.257 29.709 -0.452 1
1 283 . 6 1 1 A 27 27 HIS N N 27 123.031 119.219 3.812 1
1 284 . 6 1 1 A 28 28 VAL H H 28 8.330 8.646 -0.316 1
1 285 . 6 1 1 A 28 28 VAL HA H 28 4.776 4.070 0.706 1
1 293 . 6 1 1 A 28 28 VAL C C 28 174.798 175.533 -0.735 1
1 294 . 6 1 1 A 28 28 VAL CA C 28 62.070 62.913 -0.843 1
1 295 . 6 1 1 A 28 28 VAL CB C 28 32.965 31.813 1.152 1
1 298 . 6 1 1 A 28 28 VAL N N 28 127.641 125.130 2.511 1
1 299 . 6 1 1 A 29 29 HIS H H 29 8.887 9.407 -0.520 1
1 300 . 6 1 1 A 29 29 HIS HA H 29 5.071 5.479 -0.408 1
1 305 . 6 1 1 A 29 29 HIS C C 29 173.998 174.161 -0.163 1
1 306 . 6 1 1 A 29 29 HIS CA C 29 54.841 53.858 0.983 1
1 307 . 6 1 1 A 29 29 HIS CB C 29 33.921 32.566 1.355 1
1 310 . 6 1 1 A 29 29 HIS N N 29 124.946 126.519 -1.573 1
1 311 . 6 1 1 A 30 30 TYR H H 30 9.630 9.271 0.359 1
1 312 . 6 1 1 A 30 30 TYR HA H 30 5.092 5.137 -0.045 1
1 319 . 6 1 1 A 30 30 TYR C C 30 173.451 174.720 -1.269 1
1 320 . 6 1 1 A 30 30 TYR CA C 30 57.627 56.537 1.090 1
1 321 . 6 1 1 A 30 30 TYR CB C 30 41.124 40.903 0.221 1
1 326 . 6 1 1 A 30 30 TYR N N 30 119.246 121.055 -1.809 1
1 327 . 6 1 1 A 31 31 LEU H H 31 7.804 8.849 -1.045 1
1 328 . 6 1 1 A 31 31 LEU HA H 31 3.561 3.404 0.157 1
1 338 . 6 1 1 A 31 31 LEU C C 31 173.742 174.407 -0.665 1
1 339 . 6 1 1 A 31 31 LEU CA C 31 53.120 54.202 -1.082 1
1 340 . 6 1 1 A 31 31 LEU CB C 31 39.479 40.847 -1.368 1
1 344 . 6 1 1 A 31 31 LEU N N 31 125.982 126.329 -0.347 1
1 345 . 6 1 1 A 32 32 ILE H H 32 8.861 8.167 0.694 1
1 346 . 6 1 1 A 32 32 ILE HA H 32 3.402 4.019 -0.617 1
1 356 . 6 1 1 A 32 32 ILE C C 32 173.769 174.071 -0.302 1
1 357 . 6 1 1 A 32 32 ILE CA C 32 61.356 60.744 0.612 1
1 358 . 6 1 1 A 32 32 ILE CB C 32 39.405 37.141 2.264 1
1 362 . 6 1 1 A 32 32 ILE N N 32 129.827 127.380 2.447 1
1 363 . 6 1 1 A 33 33 LYS H H 33 7.951 8.555 -0.604 1
1 364 . 6 1 1 A 33 33 LYS HA H 33 4.111 4.376 -0.265 1
1 373 . 6 1 1 A 33 33 LYS C C 33 174.920 175.020 -0.100 1
1 374 . 6 1 1 A 33 33 LYS CA C 33 54.849 54.668 0.181 1
1 375 . 6 1 1 A 33 33 LYS CB C 33 33.162 32.897 0.265 1
1 379 . 6 1 1 A 33 33 LYS N N 33 124.612 127.580 -2.968 1
1 380 . 6 1 1 A 34 34 TRP H H 34 8.145 8.223 -0.078 1
1 381 . 6 1 1 A 34 34 TRP HA H 34 4.690 4.391 0.299 1
1 390 . 6 1 1 A 34 34 TRP C C 34 177.144 177.264 -0.120 1
1 391 . 6 1 1 A 34 34 TRP CA C 34 55.582 58.592 -3.010 1
1 392 . 6 1 1 A 34 34 TRP CB C 34 30.832 29.807 1.025 1
1 398 . 6 1 1 A 34 34 TRP N N 34 132.766 127.696 5.070 1
1 400 . 6 1 1 A 35 35 ARG H H 35 9.199 8.689 0.510 1
1 401 . 6 1 1 A 35 35 ARG HA H 35 3.742 4.079 -0.337 1
1 408 . 6 1 1 A 35 35 ARG C C 35 176.307 177.685 -1.378 1
1 409 . 6 1 1 A 35 35 ARG CA C 35 58.738 59.868 -1.130 1
1 410 . 6 1 1 A 35 35 ARG CB C 35 30.254 30.168 0.086 1
1 413 . 6 1 1 A 35 35 ARG N N 35 124.433 126.038 -1.605 1
1 414 . 6 1 1 A 36 36 ASP H H 36 8.812 8.571 0.241 1
1 415 . 6 1 1 A 36 36 ASP HA H 36 4.294 4.492 -0.198 1
1 418 . 6 1 1 A 36 36 ASP C C 36 174.269 176.867 -2.598 1
1 419 . 6 1 1 A 36 36 ASP CA C 36 55.948 56.997 -1.049 1
1 420 . 6 1 1 A 36 36 ASP CB C 36 39.960 40.546 -0.586 1
1 421 . 6 1 1 A 36 36 ASP N N 36 115.622 118.964 -3.342 1
1 422 . 6 1 1 A 37 37 LEU H H 37 7.372 7.979 -0.607 1
1 423 . 6 1 1 A 37 37 LEU HA H 37 4.966 4.522 0.444 1
1 433 . 6 1 1 A 37 37 LEU C C 37 174.638 174.883 -0.245 1
1 434 . 6 1 1 A 37 37 LEU CA C 37 51.968 53.504 -1.536 1
1 435 . 6 1 1 A 37 37 LEU CB C 37 44.421 41.348 3.073 1
1 439 . 6 1 1 A 37 37 LEU N N 37 119.137 122.132 -2.995 1
1 440 . 6 1 1 A 38 38 PRO HA H 38 4.559 4.622 -0.063 1
1 447 . 6 1 1 A 38 38 PRO C C 38 178.256 176.465 1.791 1
1 448 . 6 1 1 A 38 38 PRO CA C 38 62.332 62.401 -0.069 1
1 449 . 6 1 1 A 38 38 PRO CB C 38 33.232 33.368 -0.136 1
1 452 . 6 1 1 A 39 39 TYR H H 39 8.933 8.898 0.035 1
1 453 . 6 1 1 A 39 39 TYR HA H 39 3.758 4.067 -0.309 1
1 460 . 6 1 1 A 39 39 TYR C C 39 177.241 177.756 -0.515 1
1 461 . 6 1 1 A 39 39 TYR CA C 39 62.934 61.360 1.574 1
1 462 . 6 1 1 A 39 39 TYR CB C 39 38.451 38.570 -0.119 1
1 467 . 6 1 1 A 39 39 TYR N N 39 122.113 121.413 0.700 1
1 468 . 6 1 1 A 40 40 ASP H H 40 8.439 8.403 0.036 1
1 469 . 6 1 1 A 40 40 ASP HA H 40 4.407 4.470 -0.063 1
1 472 . 6 1 1 A 40 40 ASP C C 40 176.645 177.019 -0.374 1
1 473 . 6 1 1 A 40 40 ASP CA C 40 55.335 56.440 -1.105 1
1 474 . 6 1 1 A 40 40 ASP CB C 40 39.476 40.575 -1.099 1
1 475 . 6 1 1 A 40 40 ASP N N 40 115.019 119.354 -4.335 1
1 476 . 6 1 1 A 41 41 GLN H H 41 7.761 7.665 0.096 1
1 477 . 6 1 1 A 41 41 GLN HA H 41 4.457 4.519 -0.062 1
1 484 . 6 1 1 A 41 41 GLN C C 41 175.665 175.572 0.093 1
1 485 . 6 1 1 A 41 41 GLN CA C 41 55.031 55.280 -0.249 1
1 486 . 6 1 1 A 41 41 GLN CB C 41 29.606 29.543 0.063 1
1 488 . 6 1 1 A 41 41 GLN N N 41 117.630 116.609 1.021 1
1 490 . 6 1 1 A 42 42 ALA H H 42 7.379 7.065 0.314 1
1 491 . 6 1 1 A 42 42 ALA HA H 42 4.776 4.104 0.672 1
1 495 . 6 1 1 A 42 42 ALA C C 42 177.103 176.415 0.688 1
1 496 . 6 1 1 A 42 42 ALA CA C 42 53.572 52.753 0.819 1
1 497 . 6 1 1 A 42 42 ALA CB C 42 18.951 18.879 0.072 1
1 498 . 6 1 1 A 42 42 ALA N N 42 123.425 124.152 -0.727 1
1 499 . 6 1 1 A 43 43 SER H H 43 8.521 7.990 0.531 1
1 500 . 6 1 1 A 43 43 SER HA H 43 4.861 5.160 -0.299 1
1 503 . 6 1 1 A 43 43 SER C C 43 172.947 173.000 -0.053 1
1 504 . 6 1 1 A 43 43 SER CA C 43 56.852 56.169 0.683 1
1 505 . 6 1 1 A 43 43 SER CB C 43 66.734 65.964 0.770 1
1 506 . 6 1 1 A 43 43 SER N N 43 115.967 114.284 1.683 1
1 507 . 6 1 1 A 44 44 TRP H H 44 8.699 8.831 -0.132 1
1 508 . 6 1 1 A 44 44 TRP HA H 44 5.081 4.935 0.146 1
1 517 . 6 1 1 A 44 44 TRP C C 44 177.207 176.311 0.896 1
1 518 . 6 1 1 A 44 44 TRP CA C 44 56.648 57.085 -0.437 1
1 519 . 6 1 1 A 44 44 TRP CB C 44 29.592 31.009 -1.417 1
1 525 . 6 1 1 A 44 44 TRP N N 44 123.015 126.051 -3.036 1
1 527 . 6 1 1 A 45 45 GLU H H 45 9.773 8.859 0.914 1
1 528 . 6 1 1 A 45 45 GLU HA H 45 5.156 4.932 0.224 1
1 533 . 6 1 1 A 45 45 GLU C C 45 176.249 175.283 0.966 1
1 534 . 6 1 1 A 45 45 GLU CA C 45 53.378 54.861 -1.483 1
1 535 . 6 1 1 A 45 45 GLU CB C 45 31.950 33.029 -1.079 1
1 537 . 6 1 1 A 45 45 GLU N N 45 122.799 121.774 1.025 1
1 538 . 6 1 1 A 46 46 SER H H 46 9.121 8.598 0.523 1
1 539 . 6 1 1 A 46 46 SER HA H 46 4.106 4.480 -0.374 1
1 542 . 6 1 1 A 46 46 SER C C 46 178.218 176.186 2.032 1
1 543 . 6 1 1 A 46 46 SER CA C 46 58.791 58.343 0.448 1
1 544 . 6 1 1 A 46 46 SER CB C 46 63.100 64.107 -1.007 1
1 545 . 6 1 1 A 46 46 SER N N 46 116.892 120.849 -3.957 1
1 546 . 6 1 1 A 47 47 GLU H H 47 8.588 8.753 -0.165 1
1 547 . 6 1 1 A 47 47 GLU HA H 47 4.327 4.689 -0.362 1
1 552 . 6 1 1 A 47 47 GLU C C 47 174.707 176.795 -2.088 1
1 553 . 6 1 1 A 47 47 GLU CA C 47 58.693 56.931 1.762 1
1 554 . 6 1 1 A 47 47 GLU CB C 47 29.990 28.904 1.086 1
1 556 . 6 1 1 A 47 47 GLU N N 47 125.534 123.389 2.145 1
1 557 . 6 1 1 A 48 48 ASP H H 48 8.415 8.315 0.100 1
1 558 . 6 1 1 A 48 48 ASP HA H 48 4.847 4.914 -0.067 1
1 561 . 6 1 1 A 48 48 ASP C C 48 176.853 176.011 0.842 1
1 562 . 6 1 1 A 48 48 ASP CA C 48 54.472 55.248 -0.776 1
1 563 . 6 1 1 A 48 48 ASP CB C 48 41.795 42.397 -0.602 1
1 564 . 6 1 1 A 48 48 ASP N N 48 117.812 119.991 -2.179 1
1 565 . 6 1 1 A 49 49 VAL H H 49 7.192 7.561 -0.369 1
1 566 . 6 1 1 A 49 49 VAL HA H 49 4.137 4.082 0.055 1
1 574 . 6 1 1 A 49 49 VAL C C 49 175.326 175.804 -0.478 1
1 575 . 6 1 1 A 49 49 VAL CA C 49 62.987 62.276 0.711 1
1 576 . 6 1 1 A 49 49 VAL CB C 49 32.759 32.408 0.351 1
1 579 . 6 1 1 A 49 49 VAL N N 49 118.329 116.480 1.849 1
1 580 . 6 1 1 A 50 50 GLU H H 50 8.417 8.744 -0.327 1
1 581 . 6 1 1 A 50 50 GLU HA H 50 4.526 4.903 -0.377 1
1 586 . 6 1 1 A 50 50 GLU C C 50 175.395 175.909 -0.514 1
1 587 . 6 1 1 A 50 50 GLU CA C 50 56.376 55.429 0.947 1
1 588 . 6 1 1 A 50 50 GLU CB C 50 29.216 30.819 -1.603 1
1 590 . 6 1 1 A 50 50 GLU N N 50 124.475 122.941 1.534 1
1 591 . 6 1 1 A 51 51 ILE H H 51 7.483 8.622 -1.139 1
1 592 . 6 1 1 A 51 51 ILE HA H 51 4.068 4.645 -0.577 1
1 602 . 6 1 1 A 51 51 ILE C C 51 175.838 175.078 0.760 1
1 603 . 6 1 1 A 51 51 ILE CA C 51 60.572 59.161 1.411 1
1 604 . 6 1 1 A 51 51 ILE CB C 51 41.701 41.564 0.137 1
1 608 . 6 1 1 A 51 51 ILE N N 51 125.565 125.518 0.047 1
1 609 . 6 1 1 A 52 52 GLN H H 52 9.055 8.585 0.470 1
1 610 . 6 1 1 A 52 52 GLN HA H 52 4.042 3.892 0.150 1
1 617 . 6 1 1 A 52 52 GLN C C 52 176.011 176.270 -0.259 1
1 618 . 6 1 1 A 52 52 GLN CA C 52 58.264 57.466 0.798 1
1 619 . 6 1 1 A 52 52 GLN CB C 52 28.458 28.415 0.043 1
1 621 . 6 1 1 A 52 52 GLN N N 52 130.354 125.084 5.270 1
1 623 . 6 1 1 A 53 53 ASP H H 53 9.244 9.523 -0.279 1
1 624 . 6 1 1 A 53 53 ASP HA H 53 4.529 4.336 0.193 1
1 627 . 6 1 1 A 53 53 ASP C C 53 176.419 176.014 0.405 1
1 628 . 6 1 1 A 53 53 ASP CA C 53 56.605 55.481 1.124 1
1 629 . 6 1 1 A 53 53 ASP CB C 53 39.788 39.116 0.672 1
1 630 . 6 1 1 A 53 53 ASP N N 53 119.289 122.000 -2.711 1
1 631 . 6 1 1 A 54 54 TYR H H 54 7.920 8.352 -0.432 1
1 632 . 6 1 1 A 54 54 TYR HA H 54 4.388 4.336 0.052 1
1 639 . 6 1 1 A 54 54 TYR C C 54 178.807 177.045 1.762 1
1 640 . 6 1 1 A 54 54 TYR CA C 54 57.557 61.225 -3.668 1
1 641 . 6 1 1 A 54 54 TYR CB C 54 37.745 38.817 -1.072 1
1 646 . 6 1 1 A 54 54 TYR N N 54 120.852 119.202 1.650 1
1 647 . 6 1 1 A 55 55 ASP H H 55 8.942 8.375 0.567 1
1 648 . 6 1 1 A 55 55 ASP HA H 55 4.155 4.104 0.051 1
1 651 . 6 1 1 A 55 55 ASP C C 55 178.492 178.248 0.244 1
1 652 . 6 1 1 A 55 55 ASP CA C 55 57.839 57.428 0.411 1
1 653 . 6 1 1 A 55 55 ASP CB C 55 39.955 41.382 -1.427 1
1 654 . 6 1 1 A 55 55 ASP N N 55 114.884 119.665 -4.781 1
1 655 . 6 1 1 A 56 56 LEU H H 56 7.585 8.269 -0.684 1
1 656 . 6 1 1 A 56 56 LEU HA H 56 3.968 3.868 0.100 1
1 666 . 6 1 1 A 56 56 LEU C C 56 180.237 179.196 1.041 1
1 667 . 6 1 1 A 56 56 LEU CA C 56 57.892 58.363 -0.471 1
1 668 . 6 1 1 A 56 56 LEU CB C 56 41.204 41.849 -0.645 1
1 672 . 6 1 1 A 56 56 LEU N N 56 121.328 120.029 1.299 1
1 673 . 6 1 1 A 57 57 PHE H H 57 7.735 8.164 -0.429 1
1 674 . 6 1 1 A 57 57 PHE HA H 57 4.182 4.209 -0.027 1
1 682 . 6 1 1 A 57 57 PHE C C 57 179.437 178.186 1.251 1
1 683 . 6 1 1 A 57 57 PHE CA C 57 62.756 61.192 1.564 1
1 684 . 6 1 1 A 57 57 PHE CB C 57 38.803 38.968 -0.165 1
1 690 . 6 1 1 A 57 57 PHE N N 57 118.200 117.738 0.462 1
1 691 . 6 1 1 A 58 58 LYS H H 58 8.834 7.828 1.006 1
1 692 . 6 1 1 A 58 58 LYS HA H 58 3.515 3.646 -0.131 1
1 701 . 6 1 1 A 58 58 LYS C C 58 177.565 178.964 -1.399 1
1 702 . 6 1 1 A 58 58 LYS CA C 58 60.851 59.866 0.985 1
1 703 . 6 1 1 A 58 58 LYS CB C 58 33.102 31.911 1.191 1
1 707 . 6 1 1 A 58 58 LYS N N 58 123.283 117.875 5.408 1
1 708 . 6 1 1 A 59 59 GLN H H 59 7.955 8.466 -0.511 1
1 709 . 6 1 1 A 59 59 GLN HA H 59 4.104 4.170 -0.066 1
1 716 . 6 1 1 A 59 59 GLN C C 59 178.948 178.211 0.737 1
1 717 . 6 1 1 A 59 59 GLN CA C 59 59.249 58.995 0.254 1
1 718 . 6 1 1 A 59 59 GLN CB C 59 28.185 28.596 -0.411 1
1 720 . 6 1 1 A 59 59 GLN N N 59 117.353 119.908 -2.555 1
1 722 . 6 1 1 A 60 60 SER H H 60 7.821 7.811 0.010 1
1 723 . 6 1 1 A 60 60 SER HA H 60 4.233 4.118 0.115 1
1 726 . 6 1 1 A 60 60 SER C C 60 176.403 176.245 0.158 1
1 727 . 6 1 1 A 60 60 SER CA C 60 60.954 61.699 -0.745 1
1 728 . 6 1 1 A 60 60 SER CB C 60 63.007 63.276 -0.269 1
1 729 . 6 1 1 A 60 60 SER N N 60 112.660 114.405 -1.745 1
1 730 . 6 1 1 A 61 61 TYR H H 61 7.858 8.423 -0.565 1
1 731 . 6 1 1 A 61 61 TYR HA H 61 4.084 4.055 0.029 1
1 734 . 6 1 1 A 61 61 TYR C C 61 177.358 177.411 -0.053 1
1 735 . 6 1 1 A 61 61 TYR CA C 61 61.217 62.177 -0.960 1
1 736 . 6 1 1 A 61 61 TYR CB C 61 38.470 38.415 0.055 1
1 739 . 6 1 1 A 61 61 TYR N N 61 122.550 121.801 0.749 1
1 740 . 6 1 1 A 62 62 TRP H H 62 7.754 7.545 0.209 1
1 741 . 6 1 1 A 62 62 TRP HA H 62 4.273 4.030 0.243 1
1 750 . 6 1 1 A 62 62 TRP C C 62 176.694 179.011 -2.317 1
1 751 . 6 1 1 A 62 62 TRP CA C 62 58.061 60.321 -2.260 1
1 752 . 6 1 1 A 62 62 TRP CB C 62 30.047 29.434 0.613 1
1 758 . 6 1 1 A 62 62 TRP N N 62 116.320 119.647 -3.327 1
1 760 . 6 1 1 A 63 63 ASN H H 63 7.800 8.281 -0.481 1
1 761 . 6 1 1 A 63 63 ASN HA H 63 4.688 4.411 0.277 1
1 766 . 6 1 1 A 63 63 ASN C C 63 174.055 176.902 -2.847 1
1 767 . 6 1 1 A 63 63 ASN CA C 63 53.484 56.433 -2.949 1
1 768 . 6 1 1 A 63 63 ASN CB C 63 38.645 38.270 0.375 1
1 769 . 6 1 1 A 63 63 ASN N N 63 117.543 117.469 0.074 1
1 1 . 7 1 1 A 6 6 SER HA H 6 4.447 5.243 -0.796 1
1 3 . 7 1 1 A 6 6 SER C C 6 174.919 173.685 1.234 1
1 4 . 7 1 1 A 6 6 SER CA C 6 58.632 56.535 2.097 1
1 5 . 7 1 1 A 6 6 SER CB C 6 63.826 65.683 -1.857 1
1 6 . 7 1 1 A 7 7 GLY H H 7 8.381 8.571 -0.190 1
1 7 . 7 1 1 A 7 7 GLY HA2 H 7 3.956 4.297 -0.341 1
1 8 . 7 1 1 A 7 7 GLY HA3 H 7 3.907 4.298 -0.391 1
1 9 . 7 1 1 A 7 7 GLY C C 7 173.610 172.806 0.804 1
1 10 . 7 1 1 A 7 7 GLY CA C 7 45.128 44.861 0.267 1
1 11 . 7 1 1 A 7 7 GLY N N 7 110.672 112.749 -2.077 1
1 12 . 7 1 1 A 8 8 LYS H H 8 7.989 8.471 -0.482 1
1 13 . 7 1 1 A 8 8 LYS HA H 8 4.430 4.750 -0.320 1
1 22 . 7 1 1 A 8 8 LYS C C 8 174.322 173.842 0.480 1
1 23 . 7 1 1 A 8 8 LYS CA C 8 53.436 53.039 0.397 1
1 24 . 7 1 1 A 8 8 LYS CB C 8 31.892 33.557 -1.665 1
1 28 . 7 1 1 A 8 8 LYS N N 8 121.270 120.548 0.722 1
1 29 . 7 1 1 A 9 9 PRO HA H 9 4.131 4.663 -0.532 1
1 36 . 7 1 1 A 9 9 PRO C C 9 177.331 176.265 1.066 1
1 37 . 7 1 1 A 9 9 PRO CA C 9 62.970 62.615 0.355 1
1 38 . 7 1 1 A 9 9 PRO CB C 9 31.894 33.200 -1.306 1
1 41 . 7 1 1 A 10 10 GLU H H 10 8.649 8.539 0.110 1
1 42 . 7 1 1 A 10 10 GLU HA H 10 3.960 4.147 -0.187 1
1 47 . 7 1 1 A 10 10 GLU C C 10 175.849 178.758 -2.909 1
1 48 . 7 1 1 A 10 10 GLU CA C 10 58.051 58.610 -0.559 1
1 49 . 7 1 1 A 10 10 GLU CB C 10 29.627 30.245 -0.618 1
1 51 . 7 1 1 A 10 10 GLU N N 10 120.707 120.394 0.313 1
1 52 . 7 1 1 A 11 11 TRP H H 11 7.131 8.236 -1.105 1
1 53 . 7 1 1 A 11 11 TRP HA H 11 4.548 4.490 0.058 1
1 62 . 7 1 1 A 11 11 TRP C C 11 176.362 176.752 -0.390 1
1 63 . 7 1 1 A 11 11 TRP CA C 11 55.758 59.990 -4.232 1
1 64 . 7 1 1 A 11 11 TRP CB C 11 29.285 28.169 1.116 1
1 70 . 7 1 1 A 11 11 TRP N N 11 115.904 119.399 -3.495 1
1 72 . 7 1 1 A 12 12 MET H H 12 7.289 6.923 0.366 1
1 73 . 7 1 1 A 12 12 MET HA H 12 4.054 4.047 0.007 1
1 81 . 7 1 1 A 12 12 MET C C 12 174.357 175.696 -1.339 1
1 82 . 7 1 1 A 12 12 MET CA C 12 55.900 54.612 1.288 1
1 83 . 7 1 1 A 12 12 MET CB C 12 31.808 31.892 -0.084 1
1 86 . 7 1 1 A 12 12 MET N N 12 122.155 120.650 1.505 1
1 87 . 7 1 1 A 13 13 MET H H 13 8.569 8.871 -0.302 1
1 88 . 7 1 1 A 13 13 MET HA H 13 4.890 5.228 -0.338 1
1 96 . 7 1 1 A 13 13 MET C C 13 175.898 174.223 1.675 1
1 97 . 7 1 1 A 13 13 MET CA C 13 53.784 54.101 -0.317 1
1 98 . 7 1 1 A 13 13 MET CB C 13 35.100 37.603 -2.503 1
1 101 . 7 1 1 A 13 13 MET N N 13 121.084 121.540 -0.456 1
1 102 . 7 1 1 A 14 14 ILE H H 14 9.144 8.647 0.497 1
1 103 . 7 1 1 A 14 14 ILE HA H 14 2.912 4.255 -1.343 1
1 113 . 7 1 1 A 14 14 ILE C C 14 174.810 175.992 -1.182 1
1 114 . 7 1 1 A 14 14 ILE CA C 14 63.803 60.321 3.482 1
1 115 . 7 1 1 A 14 14 ILE CB C 14 38.974 37.872 1.102 1
1 119 . 7 1 1 A 14 14 ILE N N 14 125.919 121.293 4.626 1
1 120 . 7 1 1 A 15 15 HIS H H 15 8.926 8.449 0.477 1
1 121 . 7 1 1 A 15 15 HIS HA H 15 4.690 4.204 0.486 1
1 125 . 7 1 1 A 15 15 HIS C C 15 174.715 174.876 -0.161 1
1 126 . 7 1 1 A 15 15 HIS CA C 15 55.829 60.055 -4.226 1
1 127 . 7 1 1 A 15 15 HIS CB C 15 33.853 30.628 3.225 1
1 129 . 7 1 1 A 15 15 HIS N N 15 125.470 128.370 -2.900 1
1 130 . 7 1 1 A 16 16 ARG H H 16 7.529 7.643 -0.114 1
1 131 . 7 1 1 A 16 16 ARG HA H 16 4.193 4.920 -0.727 1
1 138 . 7 1 1 A 16 16 ARG C C 16 173.315 174.359 -1.044 1
1 139 . 7 1 1 A 16 16 ARG CA C 16 55.329 55.289 0.040 1
1 140 . 7 1 1 A 16 16 ARG CB C 16 33.252 32.778 0.474 1
1 143 . 7 1 1 A 16 16 ARG N N 16 111.315 114.038 -2.723 1
1 144 . 7 1 1 A 17 17 ILE H H 17 8.396 8.942 -0.546 1
1 145 . 7 1 1 A 17 17 ILE HA H 17 4.052 3.969 0.083 1
1 155 . 7 1 1 A 17 17 ILE C C 17 175.341 175.224 0.117 1
1 156 . 7 1 1 A 17 17 ILE CA C 17 61.859 61.448 0.411 1
1 157 . 7 1 1 A 17 17 ILE CB C 17 37.952 36.714 1.238 1
1 161 . 7 1 1 A 17 17 ILE N N 17 121.157 123.469 -2.312 1
1 162 . 7 1 1 A 18 18 LEU H H 18 9.102 8.444 0.658 1
1 163 . 7 1 1 A 18 18 LEU HA H 18 4.253 3.949 0.304 1
1 173 . 7 1 1 A 18 18 LEU C C 18 176.622 176.307 0.315 1
1 174 . 7 1 1 A 18 18 LEU CA C 18 55.422 57.021 -1.599 1
1 175 . 7 1 1 A 18 18 LEU CB C 18 43.410 41.991 1.419 1
1 179 . 7 1 1 A 18 18 LEU N N 18 124.326 129.893 -5.567 1
1 180 . 7 1 1 A 19 19 ASN H H 19 7.343 7.339 0.004 1
1 181 . 7 1 1 A 19 19 ASN HA H 19 5.227 4.897 0.330 1
1 186 . 7 1 1 A 19 19 ASN C C 19 172.527 173.243 -0.716 1
1 187 . 7 1 1 A 19 19 ASN CA C 19 51.140 52.425 -1.285 1
1 188 . 7 1 1 A 19 19 ASN CB C 19 40.795 41.599 -0.804 1
1 189 . 7 1 1 A 19 19 ASN N N 19 113.895 111.922 1.973 1
1 191 . 7 1 1 A 20 20 HIS H H 20 8.816 8.943 -0.127 1
1 192 . 7 1 1 A 20 20 HIS HA H 20 5.875 6.259 -0.384 1
1 197 . 7 1 1 A 20 20 HIS C C 20 173.013 172.799 0.214 1
1 198 . 7 1 1 A 20 20 HIS CA C 20 55.932 54.414 1.518 1
1 199 . 7 1 1 A 20 20 HIS CB C 20 35.190 33.785 1.405 1
1 202 . 7 1 1 A 20 20 HIS N N 20 118.537 116.794 1.743 1
1 203 . 7 1 1 A 21 21 SER H H 21 9.203 9.221 -0.018 1
1 204 . 7 1 1 A 21 21 SER HA H 21 4.399 4.756 -0.357 1
1 207 . 7 1 1 A 21 21 SER C C 21 172.382 172.568 -0.186 1
1 208 . 7 1 1 A 21 21 SER CA C 21 57.063 56.662 0.401 1
1 209 . 7 1 1 A 21 21 SER CB C 21 65.417 66.079 -0.662 1
1 210 . 7 1 1 A 21 21 SER N N 21 115.006 114.443 0.563 1
1 211 . 7 1 1 A 22 22 VAL H H 22 8.493 8.899 -0.406 1
1 212 . 7 1 1 A 22 22 VAL HA H 22 4.961 4.399 0.562 1
1 220 . 7 1 1 A 22 22 VAL C C 22 176.199 175.287 0.912 1
1 221 . 7 1 1 A 22 22 VAL CA C 22 61.066 61.653 -0.587 1
1 222 . 7 1 1 A 22 22 VAL CB C 22 33.732 32.686 1.046 1
1 225 . 7 1 1 A 22 22 VAL N N 22 124.080 126.876 -2.796 1
1 226 . 7 1 1 A 23 23 ASP H H 23 8.667 7.991 0.676 1
1 227 . 7 1 1 A 23 23 ASP HA H 23 4.688 4.410 0.278 1
1 230 . 7 1 1 A 23 23 ASP C C 23 178.629 177.317 1.312 1
1 231 . 7 1 1 A 23 23 ASP CA C 23 52.814 53.789 -0.975 1
1 232 . 7 1 1 A 23 23 ASP CB C 23 41.525 42.180 -0.655 1
1 233 . 7 1 1 A 23 23 ASP N N 23 127.673 127.754 -0.081 1
1 234 . 7 1 1 A 24 24 LYS H H 24 8.242 8.896 -0.654 1
1 235 . 7 1 1 A 24 24 LYS HA H 24 4.077 3.860 0.217 1
1 244 . 7 1 1 A 24 24 LYS C C 24 177.637 178.351 -0.714 1
1 245 . 7 1 1 A 24 24 LYS CA C 24 58.419 60.202 -1.783 1
1 246 . 7 1 1 A 24 24 LYS CB C 24 32.057 32.170 -0.113 1
1 250 . 7 1 1 A 24 24 LYS N N 24 116.378 126.125 -9.747 1
1 251 . 7 1 1 A 25 25 LYS H H 25 8.128 7.620 0.508 1
1 252 . 7 1 1 A 25 25 LYS HA H 25 4.379 4.089 0.290 1
1 261 . 7 1 1 A 25 25 LYS C C 25 176.600 176.552 0.048 1
1 262 . 7 1 1 A 25 25 LYS CA C 25 55.411 57.262 -1.851 1
1 263 . 7 1 1 A 25 25 LYS CB C 25 32.516 32.916 -0.400 1
1 267 . 7 1 1 A 25 25 LYS N N 25 118.184 116.861 1.323 1
1 268 . 7 1 1 A 26 26 GLY H H 26 8.040 7.835 0.205 1
1 269 . 7 1 1 A 26 26 GLY HA2 H 26 4.125 4.045 0.080 1
1 270 . 7 1 1 A 26 26 GLY HA3 H 26 3.428 4.084 -0.656 1
1 271 . 7 1 1 A 26 26 GLY C C 26 174.048 174.854 -0.806 1
1 272 . 7 1 1 A 26 26 GLY CA C 26 45.235 45.307 -0.072 1
1 273 . 7 1 1 A 26 26 GLY N N 26 108.208 105.687 2.521 1
1 274 . 7 1 1 A 27 27 HIS H H 27 8.599 8.017 0.582 1
1 275 . 7 1 1 A 27 27 HIS HA H 27 4.491 4.455 0.036 1
1 279 . 7 1 1 A 27 27 HIS C C 27 174.516 174.420 0.096 1
1 280 . 7 1 1 A 27 27 HIS CA C 27 55.935 57.143 -1.208 1
1 281 . 7 1 1 A 27 27 HIS CB C 27 29.257 29.450 -0.193 1
1 283 . 7 1 1 A 27 27 HIS N N 27 123.031 119.322 3.709 1
1 284 . 7 1 1 A 28 28 VAL H H 28 8.330 8.315 0.015 1
1 285 . 7 1 1 A 28 28 VAL HA H 28 4.776 3.968 0.808 1
1 293 . 7 1 1 A 28 28 VAL C C 28 174.798 175.753 -0.955 1
1 294 . 7 1 1 A 28 28 VAL CA C 28 62.070 63.524 -1.454 1
1 295 . 7 1 1 A 28 28 VAL CB C 28 32.965 32.073 0.892 1
1 298 . 7 1 1 A 28 28 VAL N N 28 127.641 124.940 2.701 1
1 299 . 7 1 1 A 29 29 HIS H H 29 8.887 9.334 -0.447 1
1 300 . 7 1 1 A 29 29 HIS HA H 29 5.071 5.462 -0.391 1
1 305 . 7 1 1 A 29 29 HIS C C 29 173.998 174.005 -0.007 1
1 306 . 7 1 1 A 29 29 HIS CA C 29 54.841 53.759 1.082 1
1 307 . 7 1 1 A 29 29 HIS CB C 29 33.921 32.797 1.124 1
1 310 . 7 1 1 A 29 29 HIS N N 29 124.946 126.714 -1.768 1
1 311 . 7 1 1 A 30 30 TYR H H 30 9.630 9.422 0.208 1
1 312 . 7 1 1 A 30 30 TYR HA H 30 5.092 5.123 -0.031 1
1 319 . 7 1 1 A 30 30 TYR C C 30 173.451 174.700 -1.249 1
1 320 . 7 1 1 A 30 30 TYR CA C 30 57.627 56.766 0.861 1
1 321 . 7 1 1 A 30 30 TYR CB C 30 41.124 40.466 0.658 1
1 326 . 7 1 1 A 30 30 TYR N N 30 119.246 121.821 -2.575 1
1 327 . 7 1 1 A 31 31 LEU H H 31 7.804 8.780 -0.976 1
1 328 . 7 1 1 A 31 31 LEU HA H 31 3.561 3.473 0.088 1
1 338 . 7 1 1 A 31 31 LEU C C 31 173.742 174.478 -0.736 1
1 339 . 7 1 1 A 31 31 LEU CA C 31 53.120 54.245 -1.125 1
1 340 . 7 1 1 A 31 31 LEU CB C 31 39.479 40.907 -1.428 1
1 344 . 7 1 1 A 31 31 LEU N N 31 125.982 126.536 -0.554 1
1 345 . 7 1 1 A 32 32 ILE H H 32 8.861 8.206 0.655 1
1 346 . 7 1 1 A 32 32 ILE HA H 32 3.402 3.976 -0.574 1
1 356 . 7 1 1 A 32 32 ILE C C 32 173.769 174.317 -0.548 1
1 357 . 7 1 1 A 32 32 ILE CA C 32 61.356 60.995 0.361 1
1 358 . 7 1 1 A 32 32 ILE CB C 32 39.405 37.416 1.989 1
1 362 . 7 1 1 A 32 32 ILE N N 32 129.827 127.411 2.416 1
1 363 . 7 1 1 A 33 33 LYS H H 33 7.951 8.550 -0.599 1
1 364 . 7 1 1 A 33 33 LYS HA H 33 4.111 4.490 -0.379 1
1 373 . 7 1 1 A 33 33 LYS C C 33 174.920 174.921 -0.001 1
1 374 . 7 1 1 A 33 33 LYS CA C 33 54.849 54.549 0.300 1
1 375 . 7 1 1 A 33 33 LYS CB C 33 33.162 33.330 -0.168 1
1 379 . 7 1 1 A 33 33 LYS N N 33 124.612 127.429 -2.817 1
1 380 . 7 1 1 A 34 34 TRP H H 34 8.145 8.279 -0.134 1
1 381 . 7 1 1 A 34 34 TRP HA H 34 4.690 4.519 0.171 1
1 390 . 7 1 1 A 34 34 TRP C C 34 177.144 177.218 -0.074 1
1 391 . 7 1 1 A 34 34 TRP CA C 34 55.582 58.419 -2.837 1
1 392 . 7 1 1 A 34 34 TRP CB C 34 30.832 29.371 1.461 1
1 398 . 7 1 1 A 34 34 TRP N N 34 132.766 127.617 5.149 1
1 400 . 7 1 1 A 35 35 ARG H H 35 9.199 8.682 0.517 1
1 401 . 7 1 1 A 35 35 ARG HA H 35 3.742 4.241 -0.499 1
1 408 . 7 1 1 A 35 35 ARG C C 35 176.307 178.217 -1.910 1
1 409 . 7 1 1 A 35 35 ARG CA C 35 58.738 60.384 -1.646 1
1 410 . 7 1 1 A 35 35 ARG CB C 35 30.254 30.179 0.075 1
1 413 . 7 1 1 A 35 35 ARG N N 35 124.433 126.315 -1.882 1
1 414 . 7 1 1 A 36 36 ASP H H 36 8.812 8.474 0.338 1
1 415 . 7 1 1 A 36 36 ASP HA H 36 4.294 4.503 -0.209 1
1 418 . 7 1 1 A 36 36 ASP C C 36 174.269 176.648 -2.379 1
1 419 . 7 1 1 A 36 36 ASP CA C 36 55.948 57.767 -1.819 1
1 420 . 7 1 1 A 36 36 ASP CB C 36 39.960 41.534 -1.574 1
1 421 . 7 1 1 A 36 36 ASP N N 36 115.622 119.518 -3.896 1
1 422 . 7 1 1 A 37 37 LEU H H 37 7.372 7.850 -0.478 1
1 423 . 7 1 1 A 37 37 LEU HA H 37 4.966 4.523 0.443 1
1 433 . 7 1 1 A 37 37 LEU C C 37 174.638 174.888 -0.250 1
1 434 . 7 1 1 A 37 37 LEU CA C 37 51.968 53.425 -1.457 1
1 435 . 7 1 1 A 37 37 LEU CB C 37 44.421 41.155 3.266 1
1 439 . 7 1 1 A 37 37 LEU N N 37 119.137 120.512 -1.375 1
1 440 . 7 1 1 A 38 38 PRO HA H 38 4.559 4.586 -0.027 1
1 447 . 7 1 1 A 38 38 PRO C C 38 178.256 176.418 1.838 1
1 448 . 7 1 1 A 38 38 PRO CA C 38 62.332 62.378 -0.046 1
1 449 . 7 1 1 A 38 38 PRO CB C 38 33.232 33.395 -0.163 1
1 452 . 7 1 1 A 39 39 TYR H H 39 8.933 8.868 0.065 1
1 453 . 7 1 1 A 39 39 TYR HA H 39 3.758 4.072 -0.314 1
1 460 . 7 1 1 A 39 39 TYR C C 39 177.241 177.451 -0.210 1
1 461 . 7 1 1 A 39 39 TYR CA C 39 62.934 61.169 1.765 1
1 462 . 7 1 1 A 39 39 TYR CB C 39 38.451 38.939 -0.488 1
1 467 . 7 1 1 A 39 39 TYR N N 39 122.113 122.094 0.019 1
1 468 . 7 1 1 A 40 40 ASP H H 40 8.439 8.523 -0.084 1
1 469 . 7 1 1 A 40 40 ASP HA H 40 4.407 4.348 0.059 1
1 472 . 7 1 1 A 40 40 ASP C C 40 176.645 176.825 -0.180 1
1 473 . 7 1 1 A 40 40 ASP CA C 40 55.335 55.505 -0.170 1
1 474 . 7 1 1 A 40 40 ASP CB C 40 39.476 39.433 0.043 1
1 475 . 7 1 1 A 40 40 ASP N N 40 115.019 118.839 -3.820 1
1 476 . 7 1 1 A 41 41 GLN H H 41 7.761 7.613 0.148 1
1 477 . 7 1 1 A 41 41 GLN HA H 41 4.457 4.416 0.041 1
1 484 . 7 1 1 A 41 41 GLN C C 41 175.665 176.027 -0.362 1
1 485 . 7 1 1 A 41 41 GLN CA C 41 55.031 55.555 -0.524 1
1 486 . 7 1 1 A 41 41 GLN CB C 41 29.606 30.190 -0.584 1
1 488 . 7 1 1 A 41 41 GLN N N 41 117.630 117.083 0.547 1
1 490 . 7 1 1 A 42 42 ALA H H 42 7.379 7.247 0.132 1
1 491 . 7 1 1 A 42 42 ALA HA H 42 4.776 4.098 0.678 1
1 495 . 7 1 1 A 42 42 ALA C C 42 177.103 176.606 0.497 1
1 496 . 7 1 1 A 42 42 ALA CA C 42 53.572 52.900 0.672 1
1 497 . 7 1 1 A 42 42 ALA CB C 42 18.951 19.026 -0.075 1
1 498 . 7 1 1 A 42 42 ALA N N 42 123.425 123.494 -0.069 1
1 499 . 7 1 1 A 43 43 SER H H 43 8.521 8.013 0.508 1
1 500 . 7 1 1 A 43 43 SER HA H 43 4.861 5.179 -0.318 1
1 503 . 7 1 1 A 43 43 SER C C 43 172.947 173.046 -0.099 1
1 504 . 7 1 1 A 43 43 SER CA C 43 56.852 56.473 0.379 1
1 505 . 7 1 1 A 43 43 SER CB C 43 66.734 65.550 1.184 1
1 506 . 7 1 1 A 43 43 SER N N 43 115.967 114.853 1.114 1
1 507 . 7 1 1 A 44 44 TRP H H 44 8.699 8.876 -0.177 1
1 508 . 7 1 1 A 44 44 TRP HA H 44 5.081 4.868 0.213 1
1 517 . 7 1 1 A 44 44 TRP C C 44 177.207 176.414 0.793 1
1 518 . 7 1 1 A 44 44 TRP CA C 44 56.648 57.691 -1.043 1
1 519 . 7 1 1 A 44 44 TRP CB C 44 29.592 30.786 -1.194 1
1 525 . 7 1 1 A 44 44 TRP N N 44 123.015 126.022 -3.007 1
1 527 . 7 1 1 A 45 45 GLU H H 45 9.773 8.744 1.029 1
1 528 . 7 1 1 A 45 45 GLU HA H 45 5.156 4.904 0.252 1
1 533 . 7 1 1 A 45 45 GLU C C 45 176.249 175.636 0.613 1
1 534 . 7 1 1 A 45 45 GLU CA C 45 53.378 54.618 -1.240 1
1 535 . 7 1 1 A 45 45 GLU CB C 45 31.950 32.307 -0.357 1
1 537 . 7 1 1 A 45 45 GLU N N 45 122.799 122.766 0.033 1
1 538 . 7 1 1 A 46 46 SER H H 46 9.121 8.610 0.511 1
1 539 . 7 1 1 A 46 46 SER HA H 46 4.106 4.529 -0.423 1
1 542 . 7 1 1 A 46 46 SER C C 46 178.218 175.951 2.267 1
1 543 . 7 1 1 A 46 46 SER CA C 46 58.791 58.443 0.348 1
1 544 . 7 1 1 A 46 46 SER CB C 46 63.100 64.025 -0.925 1
1 545 . 7 1 1 A 46 46 SER N N 46 116.892 121.054 -4.162 1
1 546 . 7 1 1 A 47 47 GLU H H 47 8.588 9.194 -0.606 1
1 547 . 7 1 1 A 47 47 GLU HA H 47 4.327 4.786 -0.459 1
1 552 . 7 1 1 A 47 47 GLU C C 47 174.707 176.765 -2.058 1
1 553 . 7 1 1 A 47 47 GLU CA C 47 58.693 57.594 1.099 1
1 554 . 7 1 1 A 47 47 GLU CB C 47 29.990 28.826 1.164 1
1 556 . 7 1 1 A 47 47 GLU N N 47 125.534 124.027 1.507 1
1 557 . 7 1 1 A 48 48 ASP H H 48 8.415 8.161 0.254 1
1 558 . 7 1 1 A 48 48 ASP HA H 48 4.847 4.897 -0.050 1
1 561 . 7 1 1 A 48 48 ASP C C 48 176.853 176.033 0.820 1
1 562 . 7 1 1 A 48 48 ASP CA C 48 54.472 55.306 -0.834 1
1 563 . 7 1 1 A 48 48 ASP CB C 48 41.795 41.955 -0.160 1
1 564 . 7 1 1 A 48 48 ASP N N 48 117.812 120.074 -2.262 1
1 565 . 7 1 1 A 49 49 VAL H H 49 7.192 7.586 -0.394 1
1 566 . 7 1 1 A 49 49 VAL HA H 49 4.137 4.063 0.074 1
1 574 . 7 1 1 A 49 49 VAL C C 49 175.326 175.645 -0.319 1
1 575 . 7 1 1 A 49 49 VAL CA C 49 62.987 62.108 0.879 1
1 576 . 7 1 1 A 49 49 VAL CB C 49 32.759 32.280 0.479 1
1 579 . 7 1 1 A 49 49 VAL N N 49 118.329 116.822 1.507 1
1 580 . 7 1 1 A 50 50 GLU H H 50 8.417 8.793 -0.376 1
1 581 . 7 1 1 A 50 50 GLU HA H 50 4.526 5.029 -0.503 1
1 586 . 7 1 1 A 50 50 GLU C C 50 175.395 175.803 -0.408 1
1 587 . 7 1 1 A 50 50 GLU CA C 50 56.376 55.360 1.016 1
1 588 . 7 1 1 A 50 50 GLU CB C 50 29.216 30.902 -1.686 1
1 590 . 7 1 1 A 50 50 GLU N N 50 124.475 122.792 1.683 1
1 591 . 7 1 1 A 51 51 ILE H H 51 7.483 8.615 -1.132 1
1 592 . 7 1 1 A 51 51 ILE HA H 51 4.068 4.710 -0.642 1
1 602 . 7 1 1 A 51 51 ILE C C 51 175.838 175.085 0.753 1
1 603 . 7 1 1 A 51 51 ILE CA C 51 60.572 59.441 1.131 1
1 604 . 7 1 1 A 51 51 ILE CB C 51 41.701 41.165 0.536 1
1 608 . 7 1 1 A 51 51 ILE N N 51 125.565 126.057 -0.492 1
1 609 . 7 1 1 A 52 52 GLN H H 52 9.055 8.427 0.628 1
1 610 . 7 1 1 A 52 52 GLN HA H 52 4.042 3.901 0.141 1
1 617 . 7 1 1 A 52 52 GLN C C 52 176.011 176.262 -0.251 1
1 618 . 7 1 1 A 52 52 GLN CA C 52 58.264 57.441 0.823 1
1 619 . 7 1 1 A 52 52 GLN CB C 52 28.458 28.404 0.054 1
1 621 . 7 1 1 A 52 52 GLN N N 52 130.354 125.044 5.310 1
1 623 . 7 1 1 A 53 53 ASP H H 53 9.244 9.514 -0.270 1
1 624 . 7 1 1 A 53 53 ASP HA H 53 4.529 4.358 0.171 1
1 627 . 7 1 1 A 53 53 ASP C C 53 176.419 175.794 0.625 1
1 628 . 7 1 1 A 53 53 ASP CA C 53 56.605 55.518 1.087 1
1 629 . 7 1 1 A 53 53 ASP CB C 53 39.788 39.054 0.734 1
1 630 . 7 1 1 A 53 53 ASP N N 53 119.289 122.459 -3.170 1
1 631 . 7 1 1 A 54 54 TYR H H 54 7.920 8.303 -0.383 1
1 632 . 7 1 1 A 54 54 TYR HA H 54 4.388 4.397 -0.009 1
1 639 . 7 1 1 A 54 54 TYR C C 54 178.807 177.599 1.208 1
1 640 . 7 1 1 A 54 54 TYR CA C 54 57.557 61.075 -3.518 1
1 641 . 7 1 1 A 54 54 TYR CB C 54 37.745 38.623 -0.878 1
1 646 . 7 1 1 A 54 54 TYR N N 54 120.852 119.309 1.543 1
1 647 . 7 1 1 A 55 55 ASP H H 55 8.942 8.063 0.879 1
1 648 . 7 1 1 A 55 55 ASP HA H 55 4.155 4.214 -0.059 1
1 651 . 7 1 1 A 55 55 ASP C C 55 178.492 179.154 -0.662 1
1 652 . 7 1 1 A 55 55 ASP CA C 55 57.839 57.295 0.544 1
1 653 . 7 1 1 A 55 55 ASP CB C 55 39.955 40.264 -0.309 1
1 654 . 7 1 1 A 55 55 ASP N N 55 114.884 120.246 -5.362 1
1 655 . 7 1 1 A 56 56 LEU H H 56 7.585 8.408 -0.823 1
1 656 . 7 1 1 A 56 56 LEU HA H 56 3.968 3.888 0.080 1
1 666 . 7 1 1 A 56 56 LEU C C 56 180.237 179.196 1.041 1
1 667 . 7 1 1 A 56 56 LEU CA C 56 57.892 58.118 -0.226 1
1 668 . 7 1 1 A 56 56 LEU CB C 56 41.204 42.463 -1.259 1
1 672 . 7 1 1 A 56 56 LEU N N 56 121.328 120.496 0.832 1
1 673 . 7 1 1 A 57 57 PHE H H 57 7.735 8.255 -0.520 1
1 674 . 7 1 1 A 57 57 PHE HA H 57 4.182 4.195 -0.013 1
1 682 . 7 1 1 A 57 57 PHE C C 57 179.437 178.216 1.221 1
1 683 . 7 1 1 A 57 57 PHE CA C 57 62.756 60.973 1.783 1
1 684 . 7 1 1 A 57 57 PHE CB C 57 38.803 38.922 -0.119 1
1 690 . 7 1 1 A 57 57 PHE N N 57 118.200 117.410 0.790 1
1 691 . 7 1 1 A 58 58 LYS H H 58 8.834 7.849 0.985 1
1 692 . 7 1 1 A 58 58 LYS HA H 58 3.515 3.565 -0.050 1
1 701 . 7 1 1 A 58 58 LYS C C 58 177.565 179.136 -1.571 1
1 702 . 7 1 1 A 58 58 LYS CA C 58 60.851 59.575 1.276 1
1 703 . 7 1 1 A 58 58 LYS CB C 58 33.102 31.821 1.281 1
1 707 . 7 1 1 A 58 58 LYS N N 58 123.283 118.023 5.260 1
1 708 . 7 1 1 A 59 59 GLN H H 59 7.955 7.884 0.071 1
1 709 . 7 1 1 A 59 59 GLN HA H 59 4.104 4.166 -0.062 1
1 716 . 7 1 1 A 59 59 GLN C C 59 178.948 178.174 0.774 1
1 717 . 7 1 1 A 59 59 GLN CA C 59 59.249 58.818 0.431 1
1 718 . 7 1 1 A 59 59 GLN CB C 59 28.185 28.567 -0.382 1
1 720 . 7 1 1 A 59 59 GLN N N 59 117.353 119.866 -2.513 1
1 722 . 7 1 1 A 60 60 SER H H 60 7.821 8.141 -0.320 1
1 723 . 7 1 1 A 60 60 SER HA H 60 4.233 4.275 -0.042 1
1 726 . 7 1 1 A 60 60 SER C C 60 176.403 176.433 -0.030 1
1 727 . 7 1 1 A 60 60 SER CA C 60 60.954 61.673 -0.719 1
1 728 . 7 1 1 A 60 60 SER CB C 60 63.007 63.479 -0.472 1
1 729 . 7 1 1 A 60 60 SER N N 60 112.660 114.486 -1.826 1
1 730 . 7 1 1 A 61 61 TYR H H 61 7.858 8.530 -0.672 1
1 731 . 7 1 1 A 61 61 TYR HA H 61 4.084 4.198 -0.114 1
1 734 . 7 1 1 A 61 61 TYR C C 61 177.358 177.426 -0.068 1
1 735 . 7 1 1 A 61 61 TYR CA C 61 61.217 62.001 -0.784 1
1 736 . 7 1 1 A 61 61 TYR CB C 61 38.470 38.308 0.162 1
1 739 . 7 1 1 A 61 61 TYR N N 61 122.550 121.964 0.586 1
1 740 . 7 1 1 A 62 62 TRP H H 62 7.754 7.520 0.234 1
1 741 . 7 1 1 A 62 62 TRP HA H 62 4.273 4.006 0.267 1
1 750 . 7 1 1 A 62 62 TRP C C 62 176.694 178.690 -1.996 1
1 751 . 7 1 1 A 62 62 TRP CA C 62 58.061 60.438 -2.377 1
1 752 . 7 1 1 A 62 62 TRP CB C 62 30.047 29.335 0.712 1
1 758 . 7 1 1 A 62 62 TRP N N 62 116.320 119.369 -3.049 1
1 760 . 7 1 1 A 63 63 ASN H H 63 7.800 8.397 -0.597 1
1 761 . 7 1 1 A 63 63 ASN HA H 63 4.688 4.263 0.425 1
1 766 . 7 1 1 A 63 63 ASN C C 63 174.055 176.566 -2.511 1
1 767 . 7 1 1 A 63 63 ASN CA C 63 53.484 56.094 -2.610 1
1 768 . 7 1 1 A 63 63 ASN CB C 63 38.645 37.738 0.907 1
1 769 . 7 1 1 A 63 63 ASN N N 63 117.543 117.137 0.406 1
1 1 . 8 1 1 A 6 6 SER HA H 6 4.447 5.427 -0.980 1
1 3 . 8 1 1 A 6 6 SER C C 6 174.919 173.594 1.325 1
1 4 . 8 1 1 A 6 6 SER CA C 6 58.632 56.332 2.300 1
1 5 . 8 1 1 A 6 6 SER CB C 6 63.826 65.392 -1.566 1
1 6 . 8 1 1 A 7 7 GLY H H 7 8.381 8.641 -0.260 1
1 7 . 8 1 1 A 7 7 GLY HA2 H 7 3.956 4.178 -0.222 1
1 8 . 8 1 1 A 7 7 GLY HA3 H 7 3.907 4.180 -0.273 1
1 9 . 8 1 1 A 7 7 GLY C C 7 173.610 172.390 1.220 1
1 10 . 8 1 1 A 7 7 GLY CA C 7 45.128 45.921 -0.793 1
1 11 . 8 1 1 A 7 7 GLY N N 7 110.672 109.419 1.253 1
1 12 . 8 1 1 A 8 8 LYS H H 8 7.989 8.318 -0.329 1
1 13 . 8 1 1 A 8 8 LYS HA H 8 4.430 4.499 -0.069 1
1 22 . 8 1 1 A 8 8 LYS C C 8 174.322 174.289 0.033 1
1 23 . 8 1 1 A 8 8 LYS CA C 8 53.436 53.901 -0.465 1
1 24 . 8 1 1 A 8 8 LYS CB C 8 31.892 31.498 0.394 1
1 28 . 8 1 1 A 8 8 LYS N N 8 121.270 123.052 -1.782 1
1 29 . 8 1 1 A 9 9 PRO HA H 9 4.131 4.571 -0.440 1
1 36 . 8 1 1 A 9 9 PRO C C 9 177.331 176.475 0.856 1
1 37 . 8 1 1 A 9 9 PRO CA C 9 62.970 62.629 0.341 1
1 38 . 8 1 1 A 9 9 PRO CB C 9 31.894 32.753 -0.859 1
1 41 . 8 1 1 A 10 10 GLU H H 10 8.649 8.544 0.105 1
1 42 . 8 1 1 A 10 10 GLU HA H 10 3.960 4.111 -0.151 1
1 47 . 8 1 1 A 10 10 GLU C C 10 175.849 178.702 -2.853 1
1 48 . 8 1 1 A 10 10 GLU CA C 10 58.051 58.836 -0.785 1
1 49 . 8 1 1 A 10 10 GLU CB C 10 29.627 29.921 -0.294 1
1 51 . 8 1 1 A 10 10 GLU N N 10 120.707 120.823 -0.116 1
1 52 . 8 1 1 A 11 11 TRP H H 11 7.131 8.226 -1.095 1
1 53 . 8 1 1 A 11 11 TRP HA H 11 4.548 4.468 0.080 1
1 62 . 8 1 1 A 11 11 TRP C C 11 176.362 176.688 -0.326 1
1 63 . 8 1 1 A 11 11 TRP CA C 11 55.758 59.955 -4.197 1
1 64 . 8 1 1 A 11 11 TRP CB C 11 29.285 28.175 1.110 1
1 70 . 8 1 1 A 11 11 TRP N N 11 115.904 119.393 -3.489 1
1 72 . 8 1 1 A 12 12 MET H H 12 7.289 6.961 0.328 1
1 73 . 8 1 1 A 12 12 MET HA H 12 4.054 3.871 0.183 1
1 81 . 8 1 1 A 12 12 MET C C 12 174.357 175.869 -1.512 1
1 82 . 8 1 1 A 12 12 MET CA C 12 55.900 53.955 1.945 1
1 83 . 8 1 1 A 12 12 MET CB C 12 31.808 31.968 -0.160 1
1 86 . 8 1 1 A 12 12 MET N N 12 122.155 121.057 1.098 1
1 87 . 8 1 1 A 13 13 MET H H 13 8.569 9.066 -0.497 1
1 88 . 8 1 1 A 13 13 MET HA H 13 4.890 5.247 -0.357 1
1 96 . 8 1 1 A 13 13 MET C C 13 175.898 174.595 1.303 1
1 97 . 8 1 1 A 13 13 MET CA C 13 53.784 53.905 -0.121 1
1 98 . 8 1 1 A 13 13 MET CB C 13 35.100 36.845 -1.745 1
1 101 . 8 1 1 A 13 13 MET N N 13 121.084 122.767 -1.683 1
1 102 . 8 1 1 A 14 14 ILE H H 14 9.144 8.650 0.494 1
1 103 . 8 1 1 A 14 14 ILE HA H 14 2.912 4.222 -1.310 1
1 113 . 8 1 1 A 14 14 ILE C C 14 174.810 175.905 -1.095 1
1 114 . 8 1 1 A 14 14 ILE CA C 14 63.803 60.238 3.565 1
1 115 . 8 1 1 A 14 14 ILE CB C 14 38.974 37.860 1.114 1
1 119 . 8 1 1 A 14 14 ILE N N 14 125.919 121.265 4.654 1
1 120 . 8 1 1 A 15 15 HIS H H 15 8.926 8.388 0.538 1
1 121 . 8 1 1 A 15 15 HIS HA H 15 4.690 4.150 0.540 1
1 125 . 8 1 1 A 15 15 HIS C C 15 174.715 174.751 -0.036 1
1 126 . 8 1 1 A 15 15 HIS CA C 15 55.829 60.002 -4.173 1
1 127 . 8 1 1 A 15 15 HIS CB C 15 33.853 30.552 3.301 1
1 129 . 8 1 1 A 15 15 HIS N N 15 125.470 128.404 -2.934 1
1 130 . 8 1 1 A 16 16 ARG H H 16 7.529 7.505 0.024 1
1 131 . 8 1 1 A 16 16 ARG HA H 16 4.193 4.853 -0.660 1
1 138 . 8 1 1 A 16 16 ARG C C 16 173.315 174.471 -1.156 1
1 139 . 8 1 1 A 16 16 ARG CA C 16 55.329 55.275 0.054 1
1 140 . 8 1 1 A 16 16 ARG CB C 16 33.252 32.724 0.528 1
1 143 . 8 1 1 A 16 16 ARG N N 16 111.315 113.897 -2.582 1
1 144 . 8 1 1 A 17 17 ILE H H 17 8.396 8.956 -0.560 1
1 145 . 8 1 1 A 17 17 ILE HA H 17 4.052 3.912 0.140 1
1 155 . 8 1 1 A 17 17 ILE C C 17 175.341 175.277 0.064 1
1 156 . 8 1 1 A 17 17 ILE CA C 17 61.859 61.531 0.328 1
1 157 . 8 1 1 A 17 17 ILE CB C 17 37.952 36.815 1.137 1
1 161 . 8 1 1 A 17 17 ILE N N 17 121.157 123.520 -2.363 1
1 162 . 8 1 1 A 18 18 LEU H H 18 9.102 8.296 0.806 1
1 163 . 8 1 1 A 18 18 LEU HA H 18 4.253 3.989 0.264 1
1 173 . 8 1 1 A 18 18 LEU C C 18 176.622 176.403 0.219 1
1 174 . 8 1 1 A 18 18 LEU CA C 18 55.422 56.800 -1.378 1
1 175 . 8 1 1 A 18 18 LEU CB C 18 43.410 41.997 1.413 1
1 179 . 8 1 1 A 18 18 LEU N N 18 124.326 129.670 -5.344 1
1 180 . 8 1 1 A 19 19 ASN H H 19 7.343 7.317 0.026 1
1 181 . 8 1 1 A 19 19 ASN HA H 19 5.227 4.924 0.303 1
1 186 . 8 1 1 A 19 19 ASN C C 19 172.527 173.151 -0.624 1
1 187 . 8 1 1 A 19 19 ASN CA C 19 51.140 52.226 -1.086 1
1 188 . 8 1 1 A 19 19 ASN CB C 19 40.795 41.624 -0.829 1
1 189 . 8 1 1 A 19 19 ASN N N 19 113.895 111.913 1.982 1
1 191 . 8 1 1 A 20 20 HIS H H 20 8.816 8.833 -0.017 1
1 192 . 8 1 1 A 20 20 HIS HA H 20 5.875 5.975 -0.100 1
1 197 . 8 1 1 A 20 20 HIS C C 20 173.013 172.762 0.251 1
1 198 . 8 1 1 A 20 20 HIS CA C 20 55.932 54.290 1.642 1
1 199 . 8 1 1 A 20 20 HIS CB C 20 35.190 33.419 1.771 1
1 202 . 8 1 1 A 20 20 HIS N N 20 118.537 116.616 1.921 1
1 203 . 8 1 1 A 21 21 SER H H 21 9.203 9.060 0.143 1
1 204 . 8 1 1 A 21 21 SER HA H 21 4.399 4.652 -0.253 1
1 207 . 8 1 1 A 21 21 SER C C 21 172.382 172.930 -0.548 1
1 208 . 8 1 1 A 21 21 SER CA C 21 57.063 57.090 -0.027 1
1 209 . 8 1 1 A 21 21 SER CB C 21 65.417 66.145 -0.728 1
1 210 . 8 1 1 A 21 21 SER N N 21 115.006 114.179 0.827 1
1 211 . 8 1 1 A 22 22 VAL H H 22 8.493 9.005 -0.512 1
1 212 . 8 1 1 A 22 22 VAL HA H 22 4.961 4.615 0.346 1
1 220 . 8 1 1 A 22 22 VAL C C 22 176.199 175.385 0.814 1
1 221 . 8 1 1 A 22 22 VAL CA C 22 61.066 61.414 -0.348 1
1 222 . 8 1 1 A 22 22 VAL CB C 22 33.732 32.869 0.863 1
1 225 . 8 1 1 A 22 22 VAL N N 22 124.080 126.973 -2.893 1
1 226 . 8 1 1 A 23 23 ASP H H 23 8.667 8.409 0.258 1
1 227 . 8 1 1 A 23 23 ASP HA H 23 4.688 4.582 0.106 1
1 230 . 8 1 1 A 23 23 ASP C C 23 178.629 177.094 1.535 1
1 231 . 8 1 1 A 23 23 ASP CA C 23 52.814 53.136 -0.322 1
1 232 . 8 1 1 A 23 23 ASP CB C 23 41.525 41.765 -0.240 1
1 233 . 8 1 1 A 23 23 ASP N N 23 127.673 127.633 0.040 1
1 234 . 8 1 1 A 24 24 LYS H H 24 8.242 8.900 -0.658 1
1 235 . 8 1 1 A 24 24 LYS HA H 24 4.077 3.886 0.191 1
1 244 . 8 1 1 A 24 24 LYS C C 24 177.637 178.306 -0.669 1
1 245 . 8 1 1 A 24 24 LYS CA C 24 58.419 60.241 -1.822 1
1 246 . 8 1 1 A 24 24 LYS CB C 24 32.057 32.050 0.007 1
1 250 . 8 1 1 A 24 24 LYS N N 24 116.378 125.497 -9.119 1
1 251 . 8 1 1 A 25 25 LYS H H 25 8.128 7.570 0.558 1
1 252 . 8 1 1 A 25 25 LYS HA H 25 4.379 3.934 0.445 1
1 261 . 8 1 1 A 25 25 LYS C C 25 176.600 176.387 0.213 1
1 262 . 8 1 1 A 25 25 LYS CA C 25 55.411 57.687 -2.276 1
1 263 . 8 1 1 A 25 25 LYS CB C 25 32.516 32.377 0.139 1
1 267 . 8 1 1 A 25 25 LYS N N 25 118.184 117.394 0.790 1
1 268 . 8 1 1 A 26 26 GLY H H 26 8.040 7.795 0.245 1
1 269 . 8 1 1 A 26 26 GLY HA2 H 26 4.125 4.011 0.114 1
1 270 . 8 1 1 A 26 26 GLY HA3 H 26 3.428 4.035 -0.607 1
1 271 . 8 1 1 A 26 26 GLY C C 26 174.048 174.737 -0.689 1
1 272 . 8 1 1 A 26 26 GLY CA C 26 45.235 45.305 -0.070 1
1 273 . 8 1 1 A 26 26 GLY N N 26 108.208 105.885 2.323 1
1 274 . 8 1 1 A 27 27 HIS H H 27 8.599 7.802 0.797 1
1 275 . 8 1 1 A 27 27 HIS HA H 27 4.491 4.598 -0.107 1
1 279 . 8 1 1 A 27 27 HIS C C 27 174.516 175.044 -0.528 1
1 280 . 8 1 1 A 27 27 HIS CA C 27 55.935 56.032 -0.097 1
1 281 . 8 1 1 A 27 27 HIS CB C 27 29.257 29.837 -0.580 1
1 283 . 8 1 1 A 27 27 HIS N N 27 123.031 119.047 3.984 1
1 284 . 8 1 1 A 28 28 VAL H H 28 8.330 8.649 -0.319 1
1 285 . 8 1 1 A 28 28 VAL HA H 28 4.776 3.930 0.846 1
1 293 . 8 1 1 A 28 28 VAL C C 28 174.798 175.776 -0.978 1
1 294 . 8 1 1 A 28 28 VAL CA C 28 62.070 63.532 -1.462 1
1 295 . 8 1 1 A 28 28 VAL CB C 28 32.965 32.399 0.566 1
1 298 . 8 1 1 A 28 28 VAL N N 28 127.641 125.413 2.228 1
1 299 . 8 1 1 A 29 29 HIS H H 29 8.887 9.512 -0.625 1
1 300 . 8 1 1 A 29 29 HIS HA H 29 5.071 5.195 -0.124 1
1 305 . 8 1 1 A 29 29 HIS C C 29 173.998 174.126 -0.128 1
1 306 . 8 1 1 A 29 29 HIS CA C 29 54.841 54.150 0.691 1
1 307 . 8 1 1 A 29 29 HIS CB C 29 33.921 33.182 0.739 1
1 310 . 8 1 1 A 29 29 HIS N N 29 124.946 124.976 -0.030 1
1 311 . 8 1 1 A 30 30 TYR H H 30 9.630 9.527 0.103 1
1 312 . 8 1 1 A 30 30 TYR HA H 30 5.092 5.013 0.079 1
1 319 . 8 1 1 A 30 30 TYR C C 30 173.451 174.513 -1.062 1
1 320 . 8 1 1 A 30 30 TYR CA C 30 57.627 56.409 1.218 1
1 321 . 8 1 1 A 30 30 TYR CB C 30 41.124 41.059 0.065 1
1 326 . 8 1 1 A 30 30 TYR N N 30 119.246 120.704 -1.458 1
1 327 . 8 1 1 A 31 31 LEU H H 31 7.804 8.587 -0.783 1
1 328 . 8 1 1 A 31 31 LEU HA H 31 3.561 3.485 0.076 1
1 338 . 8 1 1 A 31 31 LEU C C 31 173.742 174.354 -0.612 1
1 339 . 8 1 1 A 31 31 LEU CA C 31 53.120 53.831 -0.711 1
1 340 . 8 1 1 A 31 31 LEU CB C 31 39.479 40.676 -1.197 1
1 344 . 8 1 1 A 31 31 LEU N N 31 125.982 126.037 -0.055 1
1 345 . 8 1 1 A 32 32 ILE H H 32 8.861 7.952 0.909 1
1 346 . 8 1 1 A 32 32 ILE HA H 32 3.402 3.823 -0.421 1
1 356 . 8 1 1 A 32 32 ILE C C 32 173.769 174.486 -0.717 1
1 357 . 8 1 1 A 32 32 ILE CA C 32 61.356 61.111 0.245 1
1 358 . 8 1 1 A 32 32 ILE CB C 32 39.405 37.154 2.251 1
1 362 . 8 1 1 A 32 32 ILE N N 32 129.827 127.123 2.704 1
1 363 . 8 1 1 A 33 33 LYS H H 33 7.951 8.370 -0.419 1
1 364 . 8 1 1 A 33 33 LYS HA H 33 4.111 4.408 -0.297 1
1 373 . 8 1 1 A 33 33 LYS C C 33 174.920 174.989 -0.069 1
1 374 . 8 1 1 A 33 33 LYS CA C 33 54.849 54.355 0.494 1
1 375 . 8 1 1 A 33 33 LYS CB C 33 33.162 33.267 -0.105 1
1 379 . 8 1 1 A 33 33 LYS N N 33 124.612 127.154 -2.542 1
1 380 . 8 1 1 A 34 34 TRP H H 34 8.145 8.173 -0.028 1
1 381 . 8 1 1 A 34 34 TRP HA H 34 4.690 4.422 0.268 1
1 390 . 8 1 1 A 34 34 TRP C C 34 177.144 177.159 -0.015 1
1 391 . 8 1 1 A 34 34 TRP CA C 34 55.582 58.626 -3.044 1
1 392 . 8 1 1 A 34 34 TRP CB C 34 30.832 29.712 1.120 1
1 398 . 8 1 1 A 34 34 TRP N N 34 132.766 127.535 5.231 1
1 400 . 8 1 1 A 35 35 ARG H H 35 9.199 8.198 1.001 1
1 401 . 8 1 1 A 35 35 ARG HA H 35 3.742 4.158 -0.416 1
1 408 . 8 1 1 A 35 35 ARG C C 35 176.307 178.142 -1.835 1
1 409 . 8 1 1 A 35 35 ARG CA C 35 58.738 60.353 -1.615 1
1 410 . 8 1 1 A 35 35 ARG CB C 35 30.254 30.102 0.152 1
1 413 . 8 1 1 A 35 35 ARG N N 35 124.433 126.158 -1.725 1
1 414 . 8 1 1 A 36 36 ASP H H 36 8.812 8.381 0.431 1
1 415 . 8 1 1 A 36 36 ASP HA H 36 4.294 4.449 -0.155 1
1 418 . 8 1 1 A 36 36 ASP C C 36 174.269 176.616 -2.347 1
1 419 . 8 1 1 A 36 36 ASP CA C 36 55.948 57.609 -1.661 1
1 420 . 8 1 1 A 36 36 ASP CB C 36 39.960 41.816 -1.856 1
1 421 . 8 1 1 A 36 36 ASP N N 36 115.622 119.645 -4.023 1
1 422 . 8 1 1 A 37 37 LEU H H 37 7.372 7.960 -0.588 1
1 423 . 8 1 1 A 37 37 LEU HA H 37 4.966 4.512 0.454 1
1 433 . 8 1 1 A 37 37 LEU C C 37 174.638 174.846 -0.208 1
1 434 . 8 1 1 A 37 37 LEU CA C 37 51.968 53.502 -1.534 1
1 435 . 8 1 1 A 37 37 LEU CB C 37 44.421 41.194 3.227 1
1 439 . 8 1 1 A 37 37 LEU N N 37 119.137 120.384 -1.247 1
1 440 . 8 1 1 A 38 38 PRO HA H 38 4.559 4.572 -0.013 1
1 447 . 8 1 1 A 38 38 PRO C C 38 178.256 176.420 1.836 1
1 448 . 8 1 1 A 38 38 PRO CA C 38 62.332 62.370 -0.038 1
1 449 . 8 1 1 A 38 38 PRO CB C 38 33.232 33.361 -0.129 1
1 452 . 8 1 1 A 39 39 TYR H H 39 8.933 8.879 0.054 1
1 453 . 8 1 1 A 39 39 TYR HA H 39 3.758 4.055 -0.297 1
1 460 . 8 1 1 A 39 39 TYR C C 39 177.241 177.891 -0.650 1
1 461 . 8 1 1 A 39 39 TYR CA C 39 62.934 61.471 1.463 1
1 462 . 8 1 1 A 39 39 TYR CB C 39 38.451 38.436 0.015 1
1 467 . 8 1 1 A 39 39 TYR N N 39 122.113 121.908 0.205 1
1 468 . 8 1 1 A 40 40 ASP H H 40 8.439 8.400 0.039 1
1 469 . 8 1 1 A 40 40 ASP HA H 40 4.407 4.606 -0.199 1
1 472 . 8 1 1 A 40 40 ASP C C 40 176.645 177.073 -0.428 1
1 473 . 8 1 1 A 40 40 ASP CA C 40 55.335 56.434 -1.099 1
1 474 . 8 1 1 A 40 40 ASP CB C 40 39.476 40.602 -1.126 1
1 475 . 8 1 1 A 40 40 ASP N N 40 115.019 119.292 -4.273 1
1 476 . 8 1 1 A 41 41 GLN H H 41 7.761 7.720 0.041 1
1 477 . 8 1 1 A 41 41 GLN HA H 41 4.457 4.468 -0.011 1
1 484 . 8 1 1 A 41 41 GLN C C 41 175.665 175.877 -0.212 1
1 485 . 8 1 1 A 41 41 GLN CA C 41 55.031 55.117 -0.086 1
1 486 . 8 1 1 A 41 41 GLN CB C 41 29.606 30.180 -0.574 1
1 488 . 8 1 1 A 41 41 GLN N N 41 117.630 116.830 0.800 1
1 490 . 8 1 1 A 42 42 ALA H H 42 7.379 7.176 0.203 1
1 491 . 8 1 1 A 42 42 ALA HA H 42 4.776 4.086 0.690 1
1 495 . 8 1 1 A 42 42 ALA C C 42 177.103 176.501 0.602 1
1 496 . 8 1 1 A 42 42 ALA CA C 42 53.572 52.868 0.704 1
1 497 . 8 1 1 A 42 42 ALA CB C 42 18.951 18.883 0.068 1
1 498 . 8 1 1 A 42 42 ALA N N 42 123.425 124.096 -0.671 1
1 499 . 8 1 1 A 43 43 SER H H 43 8.521 7.921 0.600 1
1 500 . 8 1 1 A 43 43 SER HA H 43 4.861 5.142 -0.281 1
1 503 . 8 1 1 A 43 43 SER C C 43 172.947 172.946 0.001 1
1 504 . 8 1 1 A 43 43 SER CA C 43 56.852 56.142 0.710 1
1 505 . 8 1 1 A 43 43 SER CB C 43 66.734 65.716 1.018 1
1 506 . 8 1 1 A 43 43 SER N N 43 115.967 114.705 1.262 1
1 507 . 8 1 1 A 44 44 TRP H H 44 8.699 8.971 -0.272 1
1 508 . 8 1 1 A 44 44 TRP HA H 44 5.081 4.895 0.186 1
1 517 . 8 1 1 A 44 44 TRP C C 44 177.207 176.609 0.598 1
1 518 . 8 1 1 A 44 44 TRP CA C 44 56.648 57.345 -0.697 1
1 519 . 8 1 1 A 44 44 TRP CB C 44 29.592 30.418 -0.826 1
1 525 . 8 1 1 A 44 44 TRP N N 44 123.015 126.265 -3.250 1
1 527 . 8 1 1 A 45 45 GLU H H 45 9.773 8.796 0.977 1
1 528 . 8 1 1 A 45 45 GLU HA H 45 5.156 4.815 0.341 1
1 533 . 8 1 1 A 45 45 GLU C C 45 176.249 175.595 0.654 1
1 534 . 8 1 1 A 45 45 GLU CA C 45 53.378 54.552 -1.174 1
1 535 . 8 1 1 A 45 45 GLU CB C 45 31.950 32.848 -0.898 1
1 537 . 8 1 1 A 45 45 GLU N N 45 122.799 122.800 -0.001 1
1 538 . 8 1 1 A 46 46 SER H H 46 9.121 8.540 0.581 1
1 539 . 8 1 1 A 46 46 SER HA H 46 4.106 4.408 -0.302 1
1 542 . 8 1 1 A 46 46 SER C C 46 178.218 175.745 2.473 1
1 543 . 8 1 1 A 46 46 SER CA C 46 58.791 58.087 0.704 1
1 544 . 8 1 1 A 46 46 SER CB C 46 63.100 63.792 -0.692 1
1 545 . 8 1 1 A 46 46 SER N N 46 116.892 119.897 -3.005 1
1 546 . 8 1 1 A 47 47 GLU H H 47 8.588 8.676 -0.088 1
1 547 . 8 1 1 A 47 47 GLU HA H 47 4.327 4.860 -0.533 1
1 552 . 8 1 1 A 47 47 GLU C C 47 174.707 176.967 -2.260 1
1 553 . 8 1 1 A 47 47 GLU CA C 47 58.693 56.886 1.807 1
1 554 . 8 1 1 A 47 47 GLU CB C 47 29.990 29.374 0.616 1
1 556 . 8 1 1 A 47 47 GLU N N 47 125.534 123.065 2.469 1
1 557 . 8 1 1 A 48 48 ASP H H 48 8.415 8.445 -0.030 1
1 558 . 8 1 1 A 48 48 ASP HA H 48 4.847 5.027 -0.180 1
1 561 . 8 1 1 A 48 48 ASP C C 48 176.853 175.982 0.871 1
1 562 . 8 1 1 A 48 48 ASP CA C 48 54.472 55.078 -0.606 1
1 563 . 8 1 1 A 48 48 ASP CB C 48 41.795 42.852 -1.057 1
1 564 . 8 1 1 A 48 48 ASP N N 48 117.812 119.817 -2.005 1
1 565 . 8 1 1 A 49 49 VAL H H 49 7.192 7.490 -0.298 1
1 566 . 8 1 1 A 49 49 VAL HA H 49 4.137 4.049 0.088 1
1 574 . 8 1 1 A 49 49 VAL C C 49 175.326 175.720 -0.394 1
1 575 . 8 1 1 A 49 49 VAL CA C 49 62.987 62.297 0.690 1
1 576 . 8 1 1 A 49 49 VAL CB C 49 32.759 32.162 0.597 1
1 579 . 8 1 1 A 49 49 VAL N N 49 118.329 116.627 1.702 1
1 580 . 8 1 1 A 50 50 GLU H H 50 8.417 8.469 -0.052 1
1 581 . 8 1 1 A 50 50 GLU HA H 50 4.526 4.800 -0.274 1
1 586 . 8 1 1 A 50 50 GLU C C 50 175.395 175.864 -0.469 1
1 587 . 8 1 1 A 50 50 GLU CA C 50 56.376 55.640 0.736 1
1 588 . 8 1 1 A 50 50 GLU CB C 50 29.216 30.410 -1.194 1
1 590 . 8 1 1 A 50 50 GLU N N 50 124.475 124.224 0.251 1
1 591 . 8 1 1 A 51 51 ILE H H 51 7.483 8.514 -1.031 1
1 592 . 8 1 1 A 51 51 ILE HA H 51 4.068 4.657 -0.589 1
1 602 . 8 1 1 A 51 51 ILE C C 51 175.838 175.107 0.731 1
1 603 . 8 1 1 A 51 51 ILE CA C 51 60.572 59.260 1.312 1
1 604 . 8 1 1 A 51 51 ILE CB C 51 41.701 41.631 0.070 1
1 608 . 8 1 1 A 51 51 ILE N N 51 125.565 125.647 -0.082 1
1 609 . 8 1 1 A 52 52 GLN H H 52 9.055 8.585 0.470 1
1 610 . 8 1 1 A 52 52 GLN HA H 52 4.042 3.894 0.148 1
1 617 . 8 1 1 A 52 52 GLN C C 52 176.011 176.274 -0.263 1
1 618 . 8 1 1 A 52 52 GLN CA C 52 58.264 57.480 0.784 1
1 619 . 8 1 1 A 52 52 GLN CB C 52 28.458 28.433 0.025 1
1 621 . 8 1 1 A 52 52 GLN N N 52 130.354 125.067 5.287 1
1 623 . 8 1 1 A 53 53 ASP H H 53 9.244 9.511 -0.267 1
1 624 . 8 1 1 A 53 53 ASP HA H 53 4.529 4.351 0.178 1
1 627 . 8 1 1 A 53 53 ASP C C 53 176.419 175.773 0.646 1
1 628 . 8 1 1 A 53 53 ASP CA C 53 56.605 55.531 1.074 1
1 629 . 8 1 1 A 53 53 ASP CB C 53 39.788 39.214 0.574 1
1 630 . 8 1 1 A 53 53 ASP N N 53 119.289 122.151 -2.862 1
1 631 . 8 1 1 A 54 54 TYR H H 54 7.920 8.371 -0.451 1
1 632 . 8 1 1 A 54 54 TYR HA H 54 4.388 4.358 0.030 1
1 639 . 8 1 1 A 54 54 TYR C C 54 178.807 176.943 1.864 1
1 640 . 8 1 1 A 54 54 TYR CA C 54 57.557 61.133 -3.576 1
1 641 . 8 1 1 A 54 54 TYR CB C 54 37.745 38.754 -1.009 1
1 646 . 8 1 1 A 54 54 TYR N N 54 120.852 119.244 1.608 1
1 647 . 8 1 1 A 55 55 ASP H H 55 8.942 8.410 0.532 1
1 648 . 8 1 1 A 55 55 ASP HA H 55 4.155 4.148 0.007 1
1 651 . 8 1 1 A 55 55 ASP C C 55 178.492 178.268 0.224 1
1 652 . 8 1 1 A 55 55 ASP CA C 55 57.839 57.413 0.426 1
1 653 . 8 1 1 A 55 55 ASP CB C 55 39.955 41.224 -1.269 1
1 654 . 8 1 1 A 55 55 ASP N N 55 114.884 119.245 -4.361 1
1 655 . 8 1 1 A 56 56 LEU H H 56 7.585 8.259 -0.674 1
1 656 . 8 1 1 A 56 56 LEU HA H 56 3.968 3.894 0.074 1
1 666 . 8 1 1 A 56 56 LEU C C 56 180.237 179.071 1.166 1
1 667 . 8 1 1 A 56 56 LEU CA C 56 57.892 58.291 -0.399 1
1 668 . 8 1 1 A 56 56 LEU CB C 56 41.204 41.815 -0.611 1
1 672 . 8 1 1 A 56 56 LEU N N 56 121.328 119.742 1.586 1
1 673 . 8 1 1 A 57 57 PHE H H 57 7.735 7.997 -0.262 1
1 674 . 8 1 1 A 57 57 PHE HA H 57 4.182 4.172 0.010 1
1 682 . 8 1 1 A 57 57 PHE C C 57 179.437 178.143 1.294 1
1 683 . 8 1 1 A 57 57 PHE CA C 57 62.756 61.038 1.718 1
1 684 . 8 1 1 A 57 57 PHE CB C 57 38.803 38.903 -0.100 1
1 690 . 8 1 1 A 57 57 PHE N N 57 118.200 117.255 0.945 1
1 691 . 8 1 1 A 58 58 LYS H H 58 8.834 7.801 1.033 1
1 692 . 8 1 1 A 58 58 LYS HA H 58 3.515 3.548 -0.033 1
1 701 . 8 1 1 A 58 58 LYS C C 58 177.565 179.059 -1.494 1
1 702 . 8 1 1 A 58 58 LYS CA C 58 60.851 59.474 1.377 1
1 703 . 8 1 1 A 58 58 LYS CB C 58 33.102 31.901 1.201 1
1 707 . 8 1 1 A 58 58 LYS N N 58 123.283 117.779 5.504 1
1 708 . 8 1 1 A 59 59 GLN H H 59 7.955 8.382 -0.427 1
1 709 . 8 1 1 A 59 59 GLN HA H 59 4.104 4.232 -0.128 1
1 716 . 8 1 1 A 59 59 GLN C C 59 178.948 178.236 0.712 1
1 717 . 8 1 1 A 59 59 GLN CA C 59 59.249 58.675 0.574 1
1 718 . 8 1 1 A 59 59 GLN CB C 59 28.185 28.673 -0.488 1
1 720 . 8 1 1 A 59 59 GLN N N 59 117.353 119.913 -2.560 1
1 722 . 8 1 1 A 60 60 SER H H 60 7.821 7.716 0.105 1
1 723 . 8 1 1 A 60 60 SER HA H 60 4.233 4.151 0.082 1
1 726 . 8 1 1 A 60 60 SER C C 60 176.403 176.343 0.060 1
1 727 . 8 1 1 A 60 60 SER CA C 60 60.954 61.757 -0.803 1
1 728 . 8 1 1 A 60 60 SER CB C 60 63.007 63.201 -0.194 1
1 729 . 8 1 1 A 60 60 SER N N 60 112.660 114.668 -2.008 1
1 730 . 8 1 1 A 61 61 TYR H H 61 7.858 8.125 -0.267 1
1 731 . 8 1 1 A 61 61 TYR HA H 61 4.084 4.056 0.028 1
1 734 . 8 1 1 A 61 61 TYR C C 61 177.358 177.514 -0.156 1
1 735 . 8 1 1 A 61 61 TYR CA C 61 61.217 62.103 -0.886 1
1 736 . 8 1 1 A 61 61 TYR CB C 61 38.470 38.400 0.070 1
1 739 . 8 1 1 A 61 61 TYR N N 61 122.550 121.671 0.879 1
1 740 . 8 1 1 A 62 62 TRP H H 62 7.754 7.588 0.166 1
1 741 . 8 1 1 A 62 62 TRP HA H 62 4.273 4.298 -0.025 1
1 750 . 8 1 1 A 62 62 TRP C C 62 176.694 178.925 -2.231 1
1 751 . 8 1 1 A 62 62 TRP CA C 62 58.061 60.583 -2.522 1
1 752 . 8 1 1 A 62 62 TRP CB C 62 30.047 29.217 0.830 1
1 758 . 8 1 1 A 62 62 TRP N N 62 116.320 119.686 -3.366 1
1 760 . 8 1 1 A 63 63 ASN H H 63 7.800 8.238 -0.438 1
1 761 . 8 1 1 A 63 63 ASN HA H 63 4.688 4.439 0.249 1
1 766 . 8 1 1 A 63 63 ASN C C 63 174.055 177.828 -3.773 1
1 767 . 8 1 1 A 63 63 ASN CA C 63 53.484 56.377 -2.893 1
1 768 . 8 1 1 A 63 63 ASN CB C 63 38.645 38.369 0.276 1
1 769 . 8 1 1 A 63 63 ASN N N 63 117.543 117.661 -0.118 1
1 1 . 9 1 1 A 6 6 SER HA H 6 4.447 4.849 -0.402 1
1 3 . 9 1 1 A 6 6 SER C C 6 174.919 174.303 0.616 1
1 4 . 9 1 1 A 6 6 SER CA C 6 58.632 57.444 1.188 1
1 5 . 9 1 1 A 6 6 SER CB C 6 63.826 63.472 0.354 1
1 6 . 9 1 1 A 7 7 GLY H H 7 8.381 7.722 0.659 1
1 7 . 9 1 1 A 7 7 GLY HA2 H 7 3.956 4.047 -0.091 1
1 8 . 9 1 1 A 7 7 GLY HA3 H 7 3.907 4.047 -0.140 1
1 9 . 9 1 1 A 7 7 GLY C C 7 173.610 172.784 0.826 1
1 10 . 9 1 1 A 7 7 GLY CA C 7 45.128 43.882 1.246 1
1 11 . 9 1 1 A 7 7 GLY N N 7 110.672 110.513 0.159 1
1 12 . 9 1 1 A 8 8 LYS H H 8 7.989 8.277 -0.288 1
1 13 . 9 1 1 A 8 8 LYS HA H 8 4.430 4.725 -0.295 1
1 22 . 9 1 1 A 8 8 LYS C C 8 174.322 173.786 0.536 1
1 23 . 9 1 1 A 8 8 LYS CA C 8 53.436 53.097 0.339 1
1 24 . 9 1 1 A 8 8 LYS CB C 8 31.892 33.329 -1.437 1
1 28 . 9 1 1 A 8 8 LYS N N 8 121.270 120.695 0.575 1
1 29 . 9 1 1 A 9 9 PRO HA H 9 4.131 4.670 -0.539 1
1 36 . 9 1 1 A 9 9 PRO C C 9 177.331 176.089 1.242 1
1 37 . 9 1 1 A 9 9 PRO CA C 9 62.970 62.372 0.598 1
1 38 . 9 1 1 A 9 9 PRO CB C 9 31.894 33.309 -1.415 1
1 41 . 9 1 1 A 10 10 GLU H H 10 8.649 8.320 0.329 1
1 42 . 9 1 1 A 10 10 GLU HA H 10 3.960 4.207 -0.247 1
1 47 . 9 1 1 A 10 10 GLU C C 10 175.849 178.585 -2.736 1
1 48 . 9 1 1 A 10 10 GLU CA C 10 58.051 58.334 -0.283 1
1 49 . 9 1 1 A 10 10 GLU CB C 10 29.627 30.816 -1.189 1
1 51 . 9 1 1 A 10 10 GLU N N 10 120.707 119.199 1.508 1
1 52 . 9 1 1 A 11 11 TRP H H 11 7.131 8.304 -1.173 1
1 53 . 9 1 1 A 11 11 TRP HA H 11 4.548 4.482 0.066 1
1 62 . 9 1 1 A 11 11 TRP C C 11 176.362 176.776 -0.414 1
1 63 . 9 1 1 A 11 11 TRP CA C 11 55.758 59.989 -4.231 1
1 64 . 9 1 1 A 11 11 TRP CB C 11 29.285 28.163 1.122 1
1 70 . 9 1 1 A 11 11 TRP N N 11 115.904 119.373 -3.469 1
1 72 . 9 1 1 A 12 12 MET H H 12 7.289 6.970 0.319 1
1 73 . 9 1 1 A 12 12 MET HA H 12 4.054 3.948 0.106 1
1 81 . 9 1 1 A 12 12 MET C C 12 174.357 175.750 -1.393 1
1 82 . 9 1 1 A 12 12 MET CA C 12 55.900 54.372 1.528 1
1 83 . 9 1 1 A 12 12 MET CB C 12 31.808 31.752 0.056 1
1 86 . 9 1 1 A 12 12 MET N N 12 122.155 120.737 1.418 1
1 87 . 9 1 1 A 13 13 MET H H 13 8.569 8.963 -0.394 1
1 88 . 9 1 1 A 13 13 MET HA H 13 4.890 5.261 -0.371 1
1 96 . 9 1 1 A 13 13 MET C C 13 175.898 174.552 1.346 1
1 97 . 9 1 1 A 13 13 MET CA C 13 53.784 53.972 -0.188 1
1 98 . 9 1 1 A 13 13 MET CB C 13 35.100 37.643 -2.543 1
1 101 . 9 1 1 A 13 13 MET N N 13 121.084 121.210 -0.126 1
1 102 . 9 1 1 A 14 14 ILE H H 14 9.144 8.592 0.552 1
1 103 . 9 1 1 A 14 14 ILE HA H 14 2.912 4.369 -1.457 1
1 113 . 9 1 1 A 14 14 ILE C C 14 174.810 176.091 -1.281 1
1 114 . 9 1 1 A 14 14 ILE CA C 14 63.803 60.505 3.298 1
1 115 . 9 1 1 A 14 14 ILE CB C 14 38.974 38.850 0.124 1
1 119 . 9 1 1 A 14 14 ILE N N 14 125.919 120.397 5.522 1
1 120 . 9 1 1 A 15 15 HIS H H 15 8.926 8.533 0.393 1
1 121 . 9 1 1 A 15 15 HIS HA H 15 4.690 4.208 0.482 1
1 125 . 9 1 1 A 15 15 HIS C C 15 174.715 174.910 -0.195 1
1 126 . 9 1 1 A 15 15 HIS CA C 15 55.829 59.944 -4.115 1
1 127 . 9 1 1 A 15 15 HIS CB C 15 33.853 30.675 3.178 1
1 129 . 9 1 1 A 15 15 HIS N N 15 125.470 128.505 -3.035 1
1 130 . 9 1 1 A 16 16 ARG H H 16 7.529 7.649 -0.120 1
1 131 . 9 1 1 A 16 16 ARG HA H 16 4.193 4.957 -0.764 1
1 138 . 9 1 1 A 16 16 ARG C C 16 173.315 174.548 -1.233 1
1 139 . 9 1 1 A 16 16 ARG CA C 16 55.329 55.468 -0.139 1
1 140 . 9 1 1 A 16 16 ARG CB C 16 33.252 32.809 0.443 1
1 143 . 9 1 1 A 16 16 ARG N N 16 111.315 113.909 -2.594 1
1 144 . 9 1 1 A 17 17 ILE H H 17 8.396 9.034 -0.638 1
1 145 . 9 1 1 A 17 17 ILE HA H 17 4.052 3.993 0.059 1
1 155 . 9 1 1 A 17 17 ILE C C 17 175.341 175.451 -0.110 1
1 156 . 9 1 1 A 17 17 ILE CA C 17 61.859 61.711 0.148 1
1 157 . 9 1 1 A 17 17 ILE CB C 17 37.952 36.761 1.191 1
1 161 . 9 1 1 A 17 17 ILE N N 17 121.157 123.974 -2.817 1
1 162 . 9 1 1 A 18 18 LEU H H 18 9.102 8.469 0.633 1
1 163 . 9 1 1 A 18 18 LEU HA H 18 4.253 4.010 0.243 1
1 173 . 9 1 1 A 18 18 LEU C C 18 176.622 176.462 0.160 1
1 174 . 9 1 1 A 18 18 LEU CA C 18 55.422 57.075 -1.653 1
1 175 . 9 1 1 A 18 18 LEU CB C 18 43.410 42.096 1.314 1
1 179 . 9 1 1 A 18 18 LEU N N 18 124.326 130.000 -5.674 1
1 180 . 9 1 1 A 19 19 ASN H H 19 7.343 7.430 -0.087 1
1 181 . 9 1 1 A 19 19 ASN HA H 19 5.227 5.001 0.226 1
1 186 . 9 1 1 A 19 19 ASN C C 19 172.527 173.240 -0.713 1
1 187 . 9 1 1 A 19 19 ASN CA C 19 51.140 52.303 -1.163 1
1 188 . 9 1 1 A 19 19 ASN CB C 19 40.795 41.632 -0.837 1
1 189 . 9 1 1 A 19 19 ASN N N 19 113.895 111.901 1.994 1
1 191 . 9 1 1 A 20 20 HIS H H 20 8.816 8.837 -0.021 1
1 192 . 9 1 1 A 20 20 HIS HA H 20 5.875 6.032 -0.157 1
1 197 . 9 1 1 A 20 20 HIS C C 20 173.013 173.056 -0.043 1
1 198 . 9 1 1 A 20 20 HIS CA C 20 55.932 54.303 1.629 1
1 199 . 9 1 1 A 20 20 HIS CB C 20 35.190 33.526 1.664 1
1 202 . 9 1 1 A 20 20 HIS N N 20 118.537 116.676 1.861 1
1 203 . 9 1 1 A 21 21 SER H H 21 9.203 9.062 0.141 1
1 204 . 9 1 1 A 21 21 SER HA H 21 4.399 4.693 -0.294 1
1 207 . 9 1 1 A 21 21 SER C C 21 172.382 172.054 0.328 1
1 208 . 9 1 1 A 21 21 SER CA C 21 57.063 57.150 -0.087 1
1 209 . 9 1 1 A 21 21 SER CB C 21 65.417 65.833 -0.416 1
1 210 . 9 1 1 A 21 21 SER N N 21 115.006 114.382 0.624 1
1 211 . 9 1 1 A 22 22 VAL H H 22 8.493 8.965 -0.472 1
1 212 . 9 1 1 A 22 22 VAL HA H 22 4.961 4.624 0.337 1
1 220 . 9 1 1 A 22 22 VAL C C 22 176.199 174.552 1.647 1
1 221 . 9 1 1 A 22 22 VAL CA C 22 61.066 60.430 0.636 1
1 222 . 9 1 1 A 22 22 VAL CB C 22 33.732 33.927 -0.195 1
1 225 . 9 1 1 A 22 22 VAL N N 22 124.080 127.830 -3.750 1
1 226 . 9 1 1 A 23 23 ASP H H 23 8.667 8.370 0.297 1
1 227 . 9 1 1 A 23 23 ASP HA H 23 4.688 4.537 0.151 1
1 230 . 9 1 1 A 23 23 ASP C C 23 178.629 177.203 1.426 1
1 231 . 9 1 1 A 23 23 ASP CA C 23 52.814 53.247 -0.433 1
1 232 . 9 1 1 A 23 23 ASP CB C 23 41.525 41.638 -0.113 1
1 233 . 9 1 1 A 23 23 ASP N N 23 127.673 128.437 -0.764 1
1 234 . 9 1 1 A 24 24 LYS H H 24 8.242 8.894 -0.652 1
1 235 . 9 1 1 A 24 24 LYS HA H 24 4.077 3.884 0.193 1
1 244 . 9 1 1 A 24 24 LYS C C 24 177.637 178.232 -0.595 1
1 245 . 9 1 1 A 24 24 LYS CA C 24 58.419 60.169 -1.750 1
1 246 . 9 1 1 A 24 24 LYS CB C 24 32.057 32.097 -0.040 1
1 250 . 9 1 1 A 24 24 LYS N N 24 116.378 125.680 -9.302 1
1 251 . 9 1 1 A 25 25 LYS H H 25 8.128 7.656 0.472 1
1 252 . 9 1 1 A 25 25 LYS HA H 25 4.379 4.076 0.303 1
1 261 . 9 1 1 A 25 25 LYS C C 25 176.600 176.836 -0.236 1
1 262 . 9 1 1 A 25 25 LYS CA C 25 55.411 57.308 -1.897 1
1 263 . 9 1 1 A 25 25 LYS CB C 25 32.516 32.721 -0.205 1
1 267 . 9 1 1 A 25 25 LYS N N 25 118.184 117.135 1.049 1
1 268 . 9 1 1 A 26 26 GLY H H 26 8.040 7.923 0.117 1
1 269 . 9 1 1 A 26 26 GLY HA2 H 26 4.125 3.946 0.179 1
1 270 . 9 1 1 A 26 26 GLY HA3 H 26 3.428 3.981 -0.553 1
1 271 . 9 1 1 A 26 26 GLY C C 26 174.048 174.436 -0.388 1
1 272 . 9 1 1 A 26 26 GLY CA C 26 45.235 44.923 0.312 1
1 273 . 9 1 1 A 26 26 GLY N N 26 108.208 106.046 2.162 1
1 274 . 9 1 1 A 27 27 HIS H H 27 8.599 8.014 0.585 1
1 275 . 9 1 1 A 27 27 HIS HA H 27 4.491 4.430 0.061 1
1 279 . 9 1 1 A 27 27 HIS C C 27 174.516 174.374 0.142 1
1 280 . 9 1 1 A 27 27 HIS CA C 27 55.935 56.459 -0.524 1
1 281 . 9 1 1 A 27 27 HIS CB C 27 29.257 29.795 -0.538 1
1 283 . 9 1 1 A 27 27 HIS N N 27 123.031 118.642 4.389 1
1 284 . 9 1 1 A 28 28 VAL H H 28 8.330 8.533 -0.203 1
1 285 . 9 1 1 A 28 28 VAL HA H 28 4.776 4.016 0.760 1
1 293 . 9 1 1 A 28 28 VAL C C 28 174.798 175.530 -0.732 1
1 294 . 9 1 1 A 28 28 VAL CA C 28 62.070 63.526 -1.456 1
1 295 . 9 1 1 A 28 28 VAL CB C 28 32.965 31.834 1.131 1
1 298 . 9 1 1 A 28 28 VAL N N 28 127.641 125.050 2.591 1
1 299 . 9 1 1 A 29 29 HIS H H 29 8.887 9.007 -0.120 1
1 300 . 9 1 1 A 29 29 HIS HA H 29 5.071 5.414 -0.343 1
1 305 . 9 1 1 A 29 29 HIS C C 29 173.998 173.881 0.117 1
1 306 . 9 1 1 A 29 29 HIS CA C 29 54.841 53.635 1.206 1
1 307 . 9 1 1 A 29 29 HIS CB C 29 33.921 32.680 1.241 1
1 310 . 9 1 1 A 29 29 HIS N N 29 124.946 126.666 -1.720 1
1 311 . 9 1 1 A 30 30 TYR H H 30 9.630 9.638 -0.008 1
1 312 . 9 1 1 A 30 30 TYR HA H 30 5.092 5.071 0.021 1
1 319 . 9 1 1 A 30 30 TYR C C 30 173.451 174.717 -1.266 1
1 320 . 9 1 1 A 30 30 TYR CA C 30 57.627 56.496 1.131 1
1 321 . 9 1 1 A 30 30 TYR CB C 30 41.124 40.927 0.197 1
1 326 . 9 1 1 A 30 30 TYR N N 30 119.246 121.800 -2.554 1
1 327 . 9 1 1 A 31 31 LEU H H 31 7.804 8.849 -1.045 1
1 328 . 9 1 1 A 31 31 LEU HA H 31 3.561 3.489 0.072 1
1 338 . 9 1 1 A 31 31 LEU C C 31 173.742 174.440 -0.698 1
1 339 . 9 1 1 A 31 31 LEU CA C 31 53.120 54.199 -1.079 1
1 340 . 9 1 1 A 31 31 LEU CB C 31 39.479 40.863 -1.384 1
1 344 . 9 1 1 A 31 31 LEU N N 31 125.982 126.196 -0.214 1
1 345 . 9 1 1 A 32 32 ILE H H 32 8.861 8.058 0.803 1
1 346 . 9 1 1 A 32 32 ILE HA H 32 3.402 3.942 -0.540 1
1 356 . 9 1 1 A 32 32 ILE C C 32 173.769 174.567 -0.798 1
1 357 . 9 1 1 A 32 32 ILE CA C 32 61.356 61.252 0.104 1
1 358 . 9 1 1 A 32 32 ILE CB C 32 39.405 37.060 2.345 1
1 362 . 9 1 1 A 32 32 ILE N N 32 129.827 127.107 2.720 1
1 363 . 9 1 1 A 33 33 LYS H H 33 7.951 8.524 -0.573 1
1 364 . 9 1 1 A 33 33 LYS HA H 33 4.111 4.525 -0.414 1
1 373 . 9 1 1 A 33 33 LYS C C 33 174.920 174.953 -0.033 1
1 374 . 9 1 1 A 33 33 LYS CA C 33 54.849 54.590 0.259 1
1 375 . 9 1 1 A 33 33 LYS CB C 33 33.162 33.365 -0.203 1
1 379 . 9 1 1 A 33 33 LYS N N 33 124.612 127.475 -2.863 1
1 380 . 9 1 1 A 34 34 TRP H H 34 8.145 8.285 -0.140 1
1 381 . 9 1 1 A 34 34 TRP HA H 34 4.690 4.485 0.205 1
1 390 . 9 1 1 A 34 34 TRP C C 34 177.144 177.212 -0.068 1
1 391 . 9 1 1 A 34 34 TRP CA C 34 55.582 58.424 -2.842 1
1 392 . 9 1 1 A 34 34 TRP CB C 34 30.832 29.321 1.511 1
1 398 . 9 1 1 A 34 34 TRP N N 34 132.766 127.646 5.120 1
1 400 . 9 1 1 A 35 35 ARG H H 35 9.199 8.672 0.527 1
1 401 . 9 1 1 A 35 35 ARG HA H 35 3.742 4.170 -0.428 1
1 408 . 9 1 1 A 35 35 ARG C C 35 176.307 177.727 -1.420 1
1 409 . 9 1 1 A 35 35 ARG CA C 35 58.738 60.363 -1.625 1
1 410 . 9 1 1 A 35 35 ARG CB C 35 30.254 30.152 0.102 1
1 413 . 9 1 1 A 35 35 ARG N N 35 124.433 126.454 -2.021 1
1 414 . 9 1 1 A 36 36 ASP H H 36 8.812 8.390 0.422 1
1 415 . 9 1 1 A 36 36 ASP HA H 36 4.294 4.423 -0.129 1
1 418 . 9 1 1 A 36 36 ASP C C 36 174.269 177.804 -3.535 1
1 419 . 9 1 1 A 36 36 ASP CA C 36 55.948 57.411 -1.463 1
1 420 . 9 1 1 A 36 36 ASP CB C 36 39.960 40.383 -0.423 1
1 421 . 9 1 1 A 36 36 ASP N N 36 115.622 120.060 -4.438 1
1 422 . 9 1 1 A 37 37 LEU H H 37 7.372 7.768 -0.396 1
1 423 . 9 1 1 A 37 37 LEU HA H 37 4.966 4.530 0.436 1
1 433 . 9 1 1 A 37 37 LEU C C 37 174.638 174.883 -0.245 1
1 434 . 9 1 1 A 37 37 LEU CA C 37 51.968 53.547 -1.579 1
1 435 . 9 1 1 A 37 37 LEU CB C 37 44.421 41.245 3.176 1
1 439 . 9 1 1 A 37 37 LEU N N 37 119.137 119.220 -0.083 1
1 440 . 9 1 1 A 38 38 PRO HA H 38 4.559 4.663 -0.104 1
1 447 . 9 1 1 A 38 38 PRO C C 38 178.256 176.455 1.801 1
1 448 . 9 1 1 A 38 38 PRO CA C 38 62.332 62.417 -0.085 1
1 449 . 9 1 1 A 38 38 PRO CB C 38 33.232 33.393 -0.161 1
1 452 . 9 1 1 A 39 39 TYR H H 39 8.933 8.904 0.029 1
1 453 . 9 1 1 A 39 39 TYR HA H 39 3.758 4.134 -0.376 1
1 460 . 9 1 1 A 39 39 TYR C C 39 177.241 177.165 0.076 1
1 461 . 9 1 1 A 39 39 TYR CA C 39 62.934 61.047 1.887 1
1 462 . 9 1 1 A 39 39 TYR CB C 39 38.451 39.023 -0.572 1
1 467 . 9 1 1 A 39 39 TYR N N 39 122.113 121.933 0.180 1
1 468 . 9 1 1 A 40 40 ASP H H 40 8.439 8.377 0.062 1
1 469 . 9 1 1 A 40 40 ASP HA H 40 4.407 4.410 -0.003 1
1 472 . 9 1 1 A 40 40 ASP C C 40 176.645 177.109 -0.464 1
1 473 . 9 1 1 A 40 40 ASP CA C 40 55.335 55.762 -0.427 1
1 474 . 9 1 1 A 40 40 ASP CB C 40 39.476 40.504 -1.028 1
1 475 . 9 1 1 A 40 40 ASP N N 40 115.019 119.000 -3.981 1
1 476 . 9 1 1 A 41 41 GLN H H 41 7.761 7.717 0.044 1
1 477 . 9 1 1 A 41 41 GLN HA H 41 4.457 4.449 0.008 1
1 484 . 9 1 1 A 41 41 GLN C C 41 175.665 175.849 -0.184 1
1 485 . 9 1 1 A 41 41 GLN CA C 41 55.031 55.241 -0.210 1
1 486 . 9 1 1 A 41 41 GLN CB C 41 29.606 30.383 -0.777 1
1 488 . 9 1 1 A 41 41 GLN N N 41 117.630 117.237 0.393 1
1 490 . 9 1 1 A 42 42 ALA H H 42 7.379 7.303 0.076 1
1 491 . 9 1 1 A 42 42 ALA HA H 42 4.776 4.117 0.659 1
1 495 . 9 1 1 A 42 42 ALA C C 42 177.103 176.484 0.619 1
1 496 . 9 1 1 A 42 42 ALA CA C 42 53.572 52.942 0.630 1
1 497 . 9 1 1 A 42 42 ALA CB C 42 18.951 18.891 0.060 1
1 498 . 9 1 1 A 42 42 ALA N N 42 123.425 123.836 -0.411 1
1 499 . 9 1 1 A 43 43 SER H H 43 8.521 7.918 0.603 1
1 500 . 9 1 1 A 43 43 SER HA H 43 4.861 5.147 -0.286 1
1 503 . 9 1 1 A 43 43 SER C C 43 172.947 173.028 -0.081 1
1 504 . 9 1 1 A 43 43 SER CA C 43 56.852 56.142 0.710 1
1 505 . 9 1 1 A 43 43 SER CB C 43 66.734 66.072 0.662 1
1 506 . 9 1 1 A 43 43 SER N N 43 115.967 114.970 0.997 1
1 507 . 9 1 1 A 44 44 TRP H H 44 8.699 9.010 -0.311 1
1 508 . 9 1 1 A 44 44 TRP HA H 44 5.081 4.932 0.149 1
1 517 . 9 1 1 A 44 44 TRP C C 44 177.207 176.520 0.687 1
1 518 . 9 1 1 A 44 44 TRP CA C 44 56.648 57.602 -0.954 1
1 519 . 9 1 1 A 44 44 TRP CB C 44 29.592 29.984 -0.392 1
1 525 . 9 1 1 A 44 44 TRP N N 44 123.015 125.980 -2.965 1
1 527 . 9 1 1 A 45 45 GLU H H 45 9.773 8.840 0.933 1
1 528 . 9 1 1 A 45 45 GLU HA H 45 5.156 4.896 0.260 1
1 533 . 9 1 1 A 45 45 GLU C C 45 176.249 176.607 -0.358 1
1 534 . 9 1 1 A 45 45 GLU CA C 45 53.378 54.610 -1.232 1
1 535 . 9 1 1 A 45 45 GLU CB C 45 31.950 32.728 -0.778 1
1 537 . 9 1 1 A 45 45 GLU N N 45 122.799 123.918 -1.119 1
1 538 . 9 1 1 A 46 46 SER H H 46 9.121 8.671 0.450 1
1 539 . 9 1 1 A 46 46 SER HA H 46 4.106 4.479 -0.373 1
1 542 . 9 1 1 A 46 46 SER C C 46 178.218 176.463 1.755 1
1 543 . 9 1 1 A 46 46 SER CA C 46 58.791 57.090 1.701 1
1 544 . 9 1 1 A 46 46 SER CB C 46 63.100 65.104 -2.004 1
1 545 . 9 1 1 A 46 46 SER N N 46 116.892 116.593 0.299 1
1 546 . 9 1 1 A 47 47 GLU H H 47 8.588 8.733 -0.145 1
1 547 . 9 1 1 A 47 47 GLU HA H 47 4.327 4.626 -0.299 1
1 552 . 9 1 1 A 47 47 GLU C C 47 174.707 177.208 -2.501 1
1 553 . 9 1 1 A 47 47 GLU CA C 47 58.693 57.947 0.746 1
1 554 . 9 1 1 A 47 47 GLU CB C 47 29.990 30.003 -0.013 1
1 556 . 9 1 1 A 47 47 GLU N N 47 125.534 119.273 6.261 1
1 557 . 9 1 1 A 48 48 ASP H H 48 8.415 8.267 0.148 1
1 558 . 9 1 1 A 48 48 ASP HA H 48 4.847 4.751 0.096 1
1 561 . 9 1 1 A 48 48 ASP C C 48 176.853 176.276 0.577 1
1 562 . 9 1 1 A 48 48 ASP CA C 48 54.472 55.565 -1.093 1
1 563 . 9 1 1 A 48 48 ASP CB C 48 41.795 41.852 -0.057 1
1 564 . 9 1 1 A 48 48 ASP N N 48 117.812 119.066 -1.254 1
1 565 . 9 1 1 A 49 49 VAL H H 49 7.192 7.111 0.081 1
1 566 . 9 1 1 A 49 49 VAL HA H 49 4.137 4.065 0.072 1
1 574 . 9 1 1 A 49 49 VAL C C 49 175.326 175.702 -0.376 1
1 575 . 9 1 1 A 49 49 VAL CA C 49 62.987 62.336 0.651 1
1 576 . 9 1 1 A 49 49 VAL CB C 49 32.759 32.272 0.487 1
1 579 . 9 1 1 A 49 49 VAL N N 49 118.329 117.716 0.613 1
1 580 . 9 1 1 A 50 50 GLU H H 50 8.417 8.752 -0.335 1
1 581 . 9 1 1 A 50 50 GLU HA H 50 4.526 5.002 -0.476 1
1 586 . 9 1 1 A 50 50 GLU C C 50 175.395 175.847 -0.452 1
1 587 . 9 1 1 A 50 50 GLU CA C 50 56.376 55.406 0.970 1
1 588 . 9 1 1 A 50 50 GLU CB C 50 29.216 30.838 -1.622 1
1 590 . 9 1 1 A 50 50 GLU N N 50 124.475 123.733 0.742 1
1 591 . 9 1 1 A 51 51 ILE H H 51 7.483 8.615 -1.132 1
1 592 . 9 1 1 A 51 51 ILE HA H 51 4.068 4.650 -0.582 1
1 602 . 9 1 1 A 51 51 ILE C C 51 175.838 174.878 0.960 1
1 603 . 9 1 1 A 51 51 ILE CA C 51 60.572 59.664 0.908 1
1 604 . 9 1 1 A 51 51 ILE CB C 51 41.701 41.091 0.610 1
1 608 . 9 1 1 A 51 51 ILE N N 51 125.565 125.822 -0.257 1
1 609 . 9 1 1 A 52 52 GLN H H 52 9.055 8.404 0.651 1
1 610 . 9 1 1 A 52 52 GLN HA H 52 4.042 3.928 0.114 1
1 617 . 9 1 1 A 52 52 GLN C C 52 176.011 176.212 -0.201 1
1 618 . 9 1 1 A 52 52 GLN CA C 52 58.264 57.398 0.866 1
1 619 . 9 1 1 A 52 52 GLN CB C 52 28.458 28.530 -0.072 1
1 621 . 9 1 1 A 52 52 GLN N N 52 130.354 124.357 5.997 1
1 623 . 9 1 1 A 53 53 ASP H H 53 9.244 9.384 -0.140 1
1 624 . 9 1 1 A 53 53 ASP HA H 53 4.529 4.302 0.227 1
1 627 . 9 1 1 A 53 53 ASP C C 53 176.419 175.855 0.564 1
1 628 . 9 1 1 A 53 53 ASP CA C 53 56.605 55.542 1.063 1
1 629 . 9 1 1 A 53 53 ASP CB C 53 39.788 39.411 0.377 1
1 630 . 9 1 1 A 53 53 ASP N N 53 119.289 122.739 -3.450 1
1 631 . 9 1 1 A 54 54 TYR H H 54 7.920 8.278 -0.358 1
1 632 . 9 1 1 A 54 54 TYR HA H 54 4.388 4.338 0.050 1
1 639 . 9 1 1 A 54 54 TYR C C 54 178.807 177.529 1.278 1
1 640 . 9 1 1 A 54 54 TYR CA C 54 57.557 61.018 -3.461 1
1 641 . 9 1 1 A 54 54 TYR CB C 54 37.745 38.739 -0.994 1
1 646 . 9 1 1 A 54 54 TYR N N 54 120.852 119.243 1.609 1
1 647 . 9 1 1 A 55 55 ASP H H 55 8.942 8.040 0.902 1
1 648 . 9 1 1 A 55 55 ASP HA H 55 4.155 4.150 0.005 1
1 651 . 9 1 1 A 55 55 ASP C C 55 178.492 178.958 -0.466 1
1 652 . 9 1 1 A 55 55 ASP CA C 55 57.839 57.242 0.597 1
1 653 . 9 1 1 A 55 55 ASP CB C 55 39.955 40.390 -0.435 1
1 654 . 9 1 1 A 55 55 ASP N N 55 114.884 119.979 -5.095 1
1 655 . 9 1 1 A 56 56 LEU H H 56 7.585 8.380 -0.795 1
1 656 . 9 1 1 A 56 56 LEU HA H 56 3.968 3.871 0.097 1
1 666 . 9 1 1 A 56 56 LEU C C 56 180.237 179.174 1.063 1
1 667 . 9 1 1 A 56 56 LEU CA C 56 57.892 58.100 -0.208 1
1 668 . 9 1 1 A 56 56 LEU CB C 56 41.204 42.409 -1.205 1
1 672 . 9 1 1 A 56 56 LEU N N 56 121.328 120.484 0.844 1
1 673 . 9 1 1 A 57 57 PHE H H 57 7.735 8.115 -0.380 1
1 674 . 9 1 1 A 57 57 PHE HA H 57 4.182 4.165 0.017 1
1 682 . 9 1 1 A 57 57 PHE C C 57 179.437 178.175 1.262 1
1 683 . 9 1 1 A 57 57 PHE CA C 57 62.756 60.938 1.818 1
1 684 . 9 1 1 A 57 57 PHE CB C 57 38.803 38.836 -0.033 1
1 690 . 9 1 1 A 57 57 PHE N N 57 118.200 117.400 0.800 1
1 691 . 9 1 1 A 58 58 LYS H H 58 8.834 7.825 1.009 1
1 692 . 9 1 1 A 58 58 LYS HA H 58 3.515 3.483 0.032 1
1 701 . 9 1 1 A 58 58 LYS C C 58 177.565 179.138 -1.573 1
1 702 . 9 1 1 A 58 58 LYS CA C 58 60.851 59.547 1.304 1
1 703 . 9 1 1 A 58 58 LYS CB C 58 33.102 31.884 1.218 1
1 707 . 9 1 1 A 58 58 LYS N N 58 123.283 117.969 5.314 1
1 708 . 9 1 1 A 59 59 GLN H H 59 7.955 7.793 0.162 1
1 709 . 9 1 1 A 59 59 GLN HA H 59 4.104 4.185 -0.081 1
1 716 . 9 1 1 A 59 59 GLN C C 59 178.948 177.954 0.994 1
1 717 . 9 1 1 A 59 59 GLN CA C 59 59.249 58.908 0.341 1
1 718 . 9 1 1 A 59 59 GLN CB C 59 28.185 28.581 -0.396 1
1 720 . 9 1 1 A 59 59 GLN N N 59 117.353 119.917 -2.564 1
1 722 . 9 1 1 A 60 60 SER H H 60 7.821 8.108 -0.287 1
1 723 . 9 1 1 A 60 60 SER HA H 60 4.233 4.115 0.118 1
1 726 . 9 1 1 A 60 60 SER C C 60 176.403 176.363 0.040 1
1 727 . 9 1 1 A 60 60 SER CA C 60 60.954 61.572 -0.618 1
1 728 . 9 1 1 A 60 60 SER CB C 60 63.007 63.062 -0.055 1
1 729 . 9 1 1 A 60 60 SER N N 60 112.660 114.535 -1.875 1
1 730 . 9 1 1 A 61 61 TYR H H 61 7.858 8.258 -0.400 1
1 731 . 9 1 1 A 61 61 TYR HA H 61 4.084 4.037 0.047 1
1 734 . 9 1 1 A 61 61 TYR C C 61 177.358 177.485 -0.127 1
1 735 . 9 1 1 A 61 61 TYR CA C 61 61.217 61.974 -0.757 1
1 736 . 9 1 1 A 61 61 TYR CB C 61 38.470 38.256 0.214 1
1 739 . 9 1 1 A 61 61 TYR N N 61 122.550 122.161 0.389 1
1 740 . 9 1 1 A 62 62 TRP H H 62 7.754 7.744 0.010 1
1 741 . 9 1 1 A 62 62 TRP HA H 62 4.273 4.329 -0.056 1
1 750 . 9 1 1 A 62 62 TRP C C 62 176.694 179.036 -2.342 1
1 751 . 9 1 1 A 62 62 TRP CA C 62 58.061 60.363 -2.302 1
1 752 . 9 1 1 A 62 62 TRP CB C 62 30.047 29.433 0.614 1
1 758 . 9 1 1 A 62 62 TRP N N 62 116.320 119.407 -3.087 1
1 760 . 9 1 1 A 63 63 ASN H H 63 7.800 8.535 -0.735 1
1 761 . 9 1 1 A 63 63 ASN HA H 63 4.688 4.484 0.204 1
1 766 . 9 1 1 A 63 63 ASN C C 63 174.055 176.853 -2.798 1
1 767 . 9 1 1 A 63 63 ASN CA C 63 53.484 56.603 -3.119 1
1 768 . 9 1 1 A 63 63 ASN CB C 63 38.645 38.050 0.595 1
1 769 . 9 1 1 A 63 63 ASN N N 63 117.543 117.727 -0.184 1
1 1 . 10 1 1 A 6 6 SER HA H 6 4.447 4.808 -0.361 1
1 3 . 10 1 1 A 6 6 SER C C 6 174.919 174.741 0.178 1
1 4 . 10 1 1 A 6 6 SER CA C 6 58.632 57.180 1.452 1
1 5 . 10 1 1 A 6 6 SER CB C 6 63.826 66.329 -2.503 1
1 6 . 10 1 1 A 7 7 GLY H H 7 8.381 8.594 -0.213 1
1 7 . 10 1 1 A 7 7 GLY HA2 H 7 3.956 3.874 0.082 1
1 8 . 10 1 1 A 7 7 GLY HA3 H 7 3.907 3.875 0.032 1
1 9 . 10 1 1 A 7 7 GLY C C 7 173.610 173.528 0.082 1
1 10 . 10 1 1 A 7 7 GLY CA C 7 45.128 47.272 -2.144 1
1 11 . 10 1 1 A 7 7 GLY N N 7 110.672 110.637 0.035 1
1 12 . 10 1 1 A 8 8 LYS H H 8 7.989 8.088 -0.099 1
1 13 . 10 1 1 A 8 8 LYS HA H 8 4.430 4.745 -0.315 1
1 22 . 10 1 1 A 8 8 LYS C C 8 174.322 173.992 0.330 1
1 23 . 10 1 1 A 8 8 LYS CA C 8 53.436 53.011 0.425 1
1 24 . 10 1 1 A 8 8 LYS CB C 8 31.892 33.044 -1.152 1
1 28 . 10 1 1 A 8 8 LYS N N 8 121.270 124.307 -3.037 1
1 29 . 10 1 1 A 9 9 PRO HA H 9 4.131 4.669 -0.538 1
1 36 . 10 1 1 A 9 9 PRO C C 9 177.331 176.211 1.120 1
1 37 . 10 1 1 A 9 9 PRO CA C 9 62.970 62.496 0.474 1
1 38 . 10 1 1 A 9 9 PRO CB C 9 31.894 33.291 -1.397 1
1 41 . 10 1 1 A 10 10 GLU H H 10 8.649 8.396 0.253 1
1 42 . 10 1 1 A 10 10 GLU HA H 10 3.960 4.184 -0.224 1
1 47 . 10 1 1 A 10 10 GLU C C 10 175.849 178.745 -2.896 1
1 48 . 10 1 1 A 10 10 GLU CA C 10 58.051 58.565 -0.514 1
1 49 . 10 1 1 A 10 10 GLU CB C 10 29.627 30.546 -0.919 1
1 51 . 10 1 1 A 10 10 GLU N N 10 120.707 119.407 1.300 1
1 52 . 10 1 1 A 11 11 TRP H H 11 7.131 8.312 -1.181 1
1 53 . 10 1 1 A 11 11 TRP HA H 11 4.548 4.474 0.074 1
1 62 . 10 1 1 A 11 11 TRP C C 11 176.362 176.761 -0.399 1
1 63 . 10 1 1 A 11 11 TRP CA C 11 55.758 60.091 -4.333 1
1 64 . 10 1 1 A 11 11 TRP CB C 11 29.285 28.114 1.171 1
1 70 . 10 1 1 A 11 11 TRP N N 11 115.904 119.410 -3.506 1
1 72 . 10 1 1 A 12 12 MET H H 12 7.289 6.890 0.399 1
1 73 . 10 1 1 A 12 12 MET HA H 12 4.054 3.843 0.211 1
1 81 . 10 1 1 A 12 12 MET C C 12 174.357 175.732 -1.375 1
1 82 . 10 1 1 A 12 12 MET CA C 12 55.900 54.084 1.816 1
1 83 . 10 1 1 A 12 12 MET CB C 12 31.808 31.955 -0.147 1
1 86 . 10 1 1 A 12 12 MET N N 12 122.155 121.056 1.099 1
1 87 . 10 1 1 A 13 13 MET H H 13 8.569 9.127 -0.558 1
1 88 . 10 1 1 A 13 13 MET HA H 13 4.890 5.270 -0.380 1
1 96 . 10 1 1 A 13 13 MET C C 13 175.898 174.905 0.993 1
1 97 . 10 1 1 A 13 13 MET CA C 13 53.784 53.897 -0.113 1
1 98 . 10 1 1 A 13 13 MET CB C 13 35.100 36.540 -1.440 1
1 101 . 10 1 1 A 13 13 MET N N 13 121.084 122.976 -1.892 1
1 102 . 10 1 1 A 14 14 ILE H H 14 9.144 8.609 0.535 1
1 103 . 10 1 1 A 14 14 ILE HA H 14 2.912 4.304 -1.392 1
1 113 . 10 1 1 A 14 14 ILE C C 14 174.810 176.092 -1.282 1
1 114 . 10 1 1 A 14 14 ILE CA C 14 63.803 60.327 3.476 1
1 115 . 10 1 1 A 14 14 ILE CB C 14 38.974 38.672 0.302 1
1 119 . 10 1 1 A 14 14 ILE N N 14 125.919 120.312 5.607 1
1 120 . 10 1 1 A 15 15 HIS H H 15 8.926 9.098 -0.172 1
1 121 . 10 1 1 A 15 15 HIS HA H 15 4.690 4.199 0.491 1
1 125 . 10 1 1 A 15 15 HIS C C 15 174.715 174.933 -0.218 1
1 126 . 10 1 1 A 15 15 HIS CA C 15 55.829 60.056 -4.227 1
1 127 . 10 1 1 A 15 15 HIS CB C 15 33.853 30.340 3.513 1
1 129 . 10 1 1 A 15 15 HIS N N 15 125.470 128.347 -2.877 1
1 130 . 10 1 1 A 16 16 ARG H H 16 7.529 7.559 -0.030 1
1 131 . 10 1 1 A 16 16 ARG HA H 16 4.193 4.909 -0.716 1
1 138 . 10 1 1 A 16 16 ARG C C 16 173.315 174.777 -1.462 1
1 139 . 10 1 1 A 16 16 ARG CA C 16 55.329 55.403 -0.074 1
1 140 . 10 1 1 A 16 16 ARG CB C 16 33.252 32.914 0.338 1
1 143 . 10 1 1 A 16 16 ARG N N 16 111.315 114.083 -2.768 1
1 144 . 10 1 1 A 17 17 ILE H H 17 8.396 8.965 -0.569 1
1 145 . 10 1 1 A 17 17 ILE HA H 17 4.052 3.889 0.163 1
1 155 . 10 1 1 A 17 17 ILE C C 17 175.341 175.383 -0.042 1
1 156 . 10 1 1 A 17 17 ILE CA C 17 61.859 61.998 -0.139 1
1 157 . 10 1 1 A 17 17 ILE CB C 17 37.952 36.809 1.143 1
1 161 . 10 1 1 A 17 17 ILE N N 17 121.157 123.777 -2.620 1
1 162 . 10 1 1 A 18 18 LEU H H 18 9.102 8.470 0.632 1
1 163 . 10 1 1 A 18 18 LEU HA H 18 4.253 4.090 0.163 1
1 173 . 10 1 1 A 18 18 LEU C C 18 176.622 176.459 0.163 1
1 174 . 10 1 1 A 18 18 LEU CA C 18 55.422 56.642 -1.220 1
1 175 . 10 1 1 A 18 18 LEU CB C 18 43.410 42.000 1.410 1
1 179 . 10 1 1 A 18 18 LEU N N 18 124.326 129.589 -5.263 1
1 180 . 10 1 1 A 19 19 ASN H H 19 7.343 7.365 -0.022 1
1 181 . 10 1 1 A 19 19 ASN HA H 19 5.227 5.047 0.180 1
1 186 . 10 1 1 A 19 19 ASN C C 19 172.527 173.096 -0.569 1
1 187 . 10 1 1 A 19 19 ASN CA C 19 51.140 52.526 -1.386 1
1 188 . 10 1 1 A 19 19 ASN CB C 19 40.795 41.780 -0.985 1
1 189 . 10 1 1 A 19 19 ASN N N 19 113.895 111.868 2.027 1
1 191 . 10 1 1 A 20 20 HIS H H 20 8.816 8.786 0.030 1
1 192 . 10 1 1 A 20 20 HIS HA H 20 5.875 5.903 -0.028 1
1 197 . 10 1 1 A 20 20 HIS C C 20 173.013 173.012 0.001 1
1 198 . 10 1 1 A 20 20 HIS CA C 20 55.932 54.274 1.658 1
1 199 . 10 1 1 A 20 20 HIS CB C 20 35.190 33.287 1.903 1
1 202 . 10 1 1 A 20 20 HIS N N 20 118.537 116.757 1.780 1
1 203 . 10 1 1 A 21 21 SER H H 21 9.203 9.206 -0.003 1
1 204 . 10 1 1 A 21 21 SER HA H 21 4.399 4.769 -0.370 1
1 207 . 10 1 1 A 21 21 SER C C 21 172.382 172.948 -0.566 1
1 208 . 10 1 1 A 21 21 SER CA C 21 57.063 57.017 0.046 1
1 209 . 10 1 1 A 21 21 SER CB C 21 65.417 66.202 -0.785 1
1 210 . 10 1 1 A 21 21 SER N N 21 115.006 114.318 0.688 1
1 211 . 10 1 1 A 22 22 VAL H H 22 8.493 8.916 -0.423 1
1 212 . 10 1 1 A 22 22 VAL HA H 22 4.961 4.499 0.462 1
1 220 . 10 1 1 A 22 22 VAL C C 22 176.199 175.244 0.955 1
1 221 . 10 1 1 A 22 22 VAL CA C 22 61.066 61.510 -0.444 1
1 222 . 10 1 1 A 22 22 VAL CB C 22 33.732 32.815 0.917 1
1 225 . 10 1 1 A 22 22 VAL N N 22 124.080 126.910 -2.830 1
1 226 . 10 1 1 A 23 23 ASP H H 23 8.667 8.002 0.665 1
1 227 . 10 1 1 A 23 23 ASP HA H 23 4.688 4.467 0.221 1
1 230 . 10 1 1 A 23 23 ASP C C 23 178.629 177.055 1.574 1
1 231 . 10 1 1 A 23 23 ASP CA C 23 52.814 53.392 -0.578 1
1 232 . 10 1 1 A 23 23 ASP CB C 23 41.525 41.656 -0.131 1
1 233 . 10 1 1 A 23 23 ASP N N 23 127.673 127.635 0.038 1
1 234 . 10 1 1 A 24 24 LYS H H 24 8.242 8.879 -0.637 1
1 235 . 10 1 1 A 24 24 LYS HA H 24 4.077 3.904 0.173 1
1 244 . 10 1 1 A 24 24 LYS C C 24 177.637 178.429 -0.792 1
1 245 . 10 1 1 A 24 24 LYS CA C 24 58.419 60.059 -1.640 1
1 246 . 10 1 1 A 24 24 LYS CB C 24 32.057 32.050 0.007 1
1 250 . 10 1 1 A 24 24 LYS N N 24 116.378 125.465 -9.087 1
1 251 . 10 1 1 A 25 25 LYS H H 25 8.128 7.569 0.559 1
1 252 . 10 1 1 A 25 25 LYS HA H 25 4.379 4.049 0.330 1
1 261 . 10 1 1 A 25 25 LYS C C 25 176.600 176.420 0.180 1
1 262 . 10 1 1 A 25 25 LYS CA C 25 55.411 57.713 -2.302 1
1 263 . 10 1 1 A 25 25 LYS CB C 25 32.516 32.812 -0.296 1
1 267 . 10 1 1 A 25 25 LYS N N 25 118.184 117.409 0.775 1
1 268 . 10 1 1 A 26 26 GLY H H 26 8.040 7.785 0.255 1
1 269 . 10 1 1 A 26 26 GLY HA2 H 26 4.125 4.038 0.087 1
1 270 . 10 1 1 A 26 26 GLY HA3 H 26 3.428 4.070 -0.642 1
1 271 . 10 1 1 A 26 26 GLY C C 26 174.048 174.657 -0.609 1
1 272 . 10 1 1 A 26 26 GLY CA C 26 45.235 45.165 0.070 1
1 273 . 10 1 1 A 26 26 GLY N N 26 108.208 105.892 2.316 1
1 274 . 10 1 1 A 27 27 HIS H H 27 8.599 7.985 0.614 1
1 275 . 10 1 1 A 27 27 HIS HA H 27 4.491 4.491 0.000 1
1 279 . 10 1 1 A 27 27 HIS C C 27 174.516 174.494 0.022 1
1 280 . 10 1 1 A 27 27 HIS CA C 27 55.935 57.172 -1.237 1
1 281 . 10 1 1 A 27 27 HIS CB C 27 29.257 29.695 -0.438 1
1 283 . 10 1 1 A 27 27 HIS N N 27 123.031 118.538 4.493 1
1 284 . 10 1 1 A 28 28 VAL H H 28 8.330 8.554 -0.224 1
1 285 . 10 1 1 A 28 28 VAL HA H 28 4.776 3.983 0.793 1
1 293 . 10 1 1 A 28 28 VAL C C 28 174.798 175.526 -0.728 1
1 294 . 10 1 1 A 28 28 VAL CA C 28 62.070 63.271 -1.201 1
1 295 . 10 1 1 A 28 28 VAL CB C 28 32.965 31.601 1.364 1
1 298 . 10 1 1 A 28 28 VAL N N 28 127.641 124.669 2.972 1
1 299 . 10 1 1 A 29 29 HIS H H 29 8.887 9.444 -0.557 1
1 300 . 10 1 1 A 29 29 HIS HA H 29 5.071 5.459 -0.388 1
1 305 . 10 1 1 A 29 29 HIS C C 29 173.998 174.018 -0.020 1
1 306 . 10 1 1 A 29 29 HIS CA C 29 54.841 53.964 0.877 1
1 307 . 10 1 1 A 29 29 HIS CB C 29 33.921 32.675 1.246 1
1 310 . 10 1 1 A 29 29 HIS N N 29 124.946 126.628 -1.682 1
1 311 . 10 1 1 A 30 30 TYR H H 30 9.630 9.091 0.539 1
1 312 . 10 1 1 A 30 30 TYR HA H 30 5.092 5.077 0.015 1
1 319 . 10 1 1 A 30 30 TYR C C 30 173.451 174.681 -1.230 1
1 320 . 10 1 1 A 30 30 TYR CA C 30 57.627 56.490 1.137 1
1 321 . 10 1 1 A 30 30 TYR CB C 30 41.124 40.170 0.954 1
1 326 . 10 1 1 A 30 30 TYR N N 30 119.246 121.236 -1.990 1
1 327 . 10 1 1 A 31 31 LEU H H 31 7.804 8.594 -0.790 1
1 328 . 10 1 1 A 31 31 LEU HA H 31 3.561 3.490 0.071 1
1 338 . 10 1 1 A 31 31 LEU C C 31 173.742 175.202 -1.460 1
1 339 . 10 1 1 A 31 31 LEU CA C 31 53.120 54.181 -1.061 1
1 340 . 10 1 1 A 31 31 LEU CB C 31 39.479 40.817 -1.338 1
1 344 . 10 1 1 A 31 31 LEU N N 31 125.982 126.724 -0.742 1
1 345 . 10 1 1 A 32 32 ILE H H 32 8.861 7.905 0.956 1
1 346 . 10 1 1 A 32 32 ILE HA H 32 3.402 3.648 -0.246 1
1 356 . 10 1 1 A 32 32 ILE C C 32 173.769 174.987 -1.218 1
1 357 . 10 1 1 A 32 32 ILE CA C 32 61.356 61.380 -0.024 1
1 358 . 10 1 1 A 32 32 ILE CB C 32 39.405 37.465 1.940 1
1 362 . 10 1 1 A 32 32 ILE N N 32 129.827 127.359 2.468 1
1 363 . 10 1 1 A 33 33 LYS H H 33 7.951 8.293 -0.342 1
1 364 . 10 1 1 A 33 33 LYS HA H 33 4.111 4.418 -0.307 1
1 373 . 10 1 1 A 33 33 LYS C C 33 174.920 174.891 0.029 1
1 374 . 10 1 1 A 33 33 LYS CA C 33 54.849 54.160 0.689 1
1 375 . 10 1 1 A 33 33 LYS CB C 33 33.162 34.027 -0.865 1
1 379 . 10 1 1 A 33 33 LYS N N 33 124.612 125.623 -1.011 1
1 380 . 10 1 1 A 34 34 TRP H H 34 8.145 8.459 -0.314 1
1 381 . 10 1 1 A 34 34 TRP HA H 34 4.690 4.580 0.110 1
1 390 . 10 1 1 A 34 34 TRP C C 34 177.144 176.699 0.445 1
1 391 . 10 1 1 A 34 34 TRP CA C 34 55.582 58.072 -2.490 1
1 392 . 10 1 1 A 34 34 TRP CB C 34 30.832 28.935 1.897 1
1 398 . 10 1 1 A 34 34 TRP N N 34 132.766 127.804 4.962 1
1 400 . 10 1 1 A 35 35 ARG H H 35 9.199 8.563 0.636 1
1 401 . 10 1 1 A 35 35 ARG HA H 35 3.742 4.143 -0.401 1
1 408 . 10 1 1 A 35 35 ARG C C 35 176.307 178.178 -1.871 1
1 409 . 10 1 1 A 35 35 ARG CA C 35 58.738 60.310 -1.572 1
1 410 . 10 1 1 A 35 35 ARG CB C 35 30.254 30.072 0.182 1
1 413 . 10 1 1 A 35 35 ARG N N 35 124.433 126.338 -1.905 1
1 414 . 10 1 1 A 36 36 ASP H H 36 8.812 8.433 0.379 1
1 415 . 10 1 1 A 36 36 ASP HA H 36 4.294 4.482 -0.188 1
1 418 . 10 1 1 A 36 36 ASP C C 36 174.269 176.642 -2.373 1
1 419 . 10 1 1 A 36 36 ASP CA C 36 55.948 57.624 -1.676 1
1 420 . 10 1 1 A 36 36 ASP CB C 36 39.960 41.806 -1.846 1
1 421 . 10 1 1 A 36 36 ASP N N 36 115.622 119.616 -3.994 1
1 422 . 10 1 1 A 37 37 LEU H H 37 7.372 7.764 -0.392 1
1 423 . 10 1 1 A 37 37 LEU HA H 37 4.966 4.522 0.444 1
1 433 . 10 1 1 A 37 37 LEU C C 37 174.638 174.792 -0.154 1
1 434 . 10 1 1 A 37 37 LEU CA C 37 51.968 53.476 -1.508 1
1 435 . 10 1 1 A 37 37 LEU CB C 37 44.421 41.158 3.263 1
1 439 . 10 1 1 A 37 37 LEU N N 37 119.137 120.092 -0.955 1
1 440 . 10 1 1 A 38 38 PRO HA H 38 4.559 4.626 -0.067 1
1 447 . 10 1 1 A 38 38 PRO C C 38 178.256 176.571 1.685 1
1 448 . 10 1 1 A 38 38 PRO CA C 38 62.332 62.469 -0.137 1
1 449 . 10 1 1 A 38 38 PRO CB C 38 33.232 33.308 -0.076 1
1 452 . 10 1 1 A 39 39 TYR H H 39 8.933 8.988 -0.055 1
1 453 . 10 1 1 A 39 39 TYR HA H 39 3.758 4.049 -0.291 1
1 460 . 10 1 1 A 39 39 TYR C C 39 177.241 177.517 -0.276 1
1 461 . 10 1 1 A 39 39 TYR CA C 39 62.934 61.785 1.149 1
1 462 . 10 1 1 A 39 39 TYR CB C 39 38.451 38.610 -0.159 1
1 467 . 10 1 1 A 39 39 TYR N N 39 122.113 122.769 -0.656 1
1 468 . 10 1 1 A 40 40 ASP H H 40 8.439 8.653 -0.214 1
1 469 . 10 1 1 A 40 40 ASP HA H 40 4.407 4.491 -0.084 1
1 472 . 10 1 1 A 40 40 ASP C C 40 176.645 176.825 -0.180 1
1 473 . 10 1 1 A 40 40 ASP CA C 40 55.335 55.575 -0.240 1
1 474 . 10 1 1 A 40 40 ASP CB C 40 39.476 39.334 0.142 1
1 475 . 10 1 1 A 40 40 ASP N N 40 115.019 118.173 -3.154 1
1 476 . 10 1 1 A 41 41 GLN H H 41 7.761 7.693 0.068 1
1 477 . 10 1 1 A 41 41 GLN HA H 41 4.457 4.464 -0.007 1
1 484 . 10 1 1 A 41 41 GLN C C 41 175.665 176.065 -0.400 1
1 485 . 10 1 1 A 41 41 GLN CA C 41 55.031 55.615 -0.584 1
1 486 . 10 1 1 A 41 41 GLN CB C 41 29.606 29.992 -0.386 1
1 488 . 10 1 1 A 41 41 GLN N N 41 117.630 117.213 0.417 1
1 490 . 10 1 1 A 42 42 ALA H H 42 7.379 7.098 0.281 1
1 491 . 10 1 1 A 42 42 ALA HA H 42 4.776 4.065 0.711 1
1 495 . 10 1 1 A 42 42 ALA C C 42 177.103 177.260 -0.157 1
1 496 . 10 1 1 A 42 42 ALA CA C 42 53.572 52.925 0.647 1
1 497 . 10 1 1 A 42 42 ALA CB C 42 18.951 18.913 0.038 1
1 498 . 10 1 1 A 42 42 ALA N N 42 123.425 123.603 -0.178 1
1 499 . 10 1 1 A 43 43 SER H H 43 8.521 7.952 0.569 1
1 500 . 10 1 1 A 43 43 SER HA H 43 4.861 5.149 -0.288 1
1 503 . 10 1 1 A 43 43 SER C C 43 172.947 172.794 0.153 1
1 504 . 10 1 1 A 43 43 SER CA C 43 56.852 57.016 -0.164 1
1 505 . 10 1 1 A 43 43 SER CB C 43 66.734 66.741 -0.007 1
1 506 . 10 1 1 A 43 43 SER N N 43 115.967 115.239 0.728 1
1 507 . 10 1 1 A 44 44 TRP H H 44 8.699 8.966 -0.267 1
1 508 . 10 1 1 A 44 44 TRP HA H 44 5.081 4.961 0.120 1
1 517 . 10 1 1 A 44 44 TRP C C 44 177.207 176.362 0.845 1
1 518 . 10 1 1 A 44 44 TRP CA C 44 56.648 56.842 -0.194 1
1 519 . 10 1 1 A 44 44 TRP CB C 44 29.592 30.383 -0.791 1
1 525 . 10 1 1 A 44 44 TRP N N 44 123.015 124.351 -1.336 1
1 527 . 10 1 1 A 45 45 GLU H H 45 9.773 8.995 0.778 1
1 528 . 10 1 1 A 45 45 GLU HA H 45 5.156 4.902 0.254 1
1 533 . 10 1 1 A 45 45 GLU C C 45 176.249 175.640 0.609 1
1 534 . 10 1 1 A 45 45 GLU CA C 45 53.378 54.594 -1.216 1
1 535 . 10 1 1 A 45 45 GLU CB C 45 31.950 32.363 -0.413 1
1 537 . 10 1 1 A 45 45 GLU N N 45 122.799 123.372 -0.573 1
1 538 . 10 1 1 A 46 46 SER H H 46 9.121 8.611 0.510 1
1 539 . 10 1 1 A 46 46 SER HA H 46 4.106 4.385 -0.279 1
1 542 . 10 1 1 A 46 46 SER C C 46 178.218 176.056 2.162 1
1 543 . 10 1 1 A 46 46 SER CA C 46 58.791 58.296 0.495 1
1 544 . 10 1 1 A 46 46 SER CB C 46 63.100 63.781 -0.681 1
1 545 . 10 1 1 A 46 46 SER N N 46 116.892 121.001 -4.109 1
1 546 . 10 1 1 A 47 47 GLU H H 47 8.588 8.617 -0.029 1
1 547 . 10 1 1 A 47 47 GLU HA H 47 4.327 4.695 -0.368 1
1 552 . 10 1 1 A 47 47 GLU C C 47 174.707 176.893 -2.186 1
1 553 . 10 1 1 A 47 47 GLU CA C 47 58.693 56.751 1.942 1
1 554 . 10 1 1 A 47 47 GLU CB C 47 29.990 29.112 0.878 1
1 556 . 10 1 1 A 47 47 GLU N N 47 125.534 123.428 2.106 1
1 557 . 10 1 1 A 48 48 ASP H H 48 8.415 8.244 0.171 1
1 558 . 10 1 1 A 48 48 ASP HA H 48 4.847 4.847 0.000 1
1 561 . 10 1 1 A 48 48 ASP C C 48 176.853 176.599 0.254 1
1 562 . 10 1 1 A 48 48 ASP CA C 48 54.472 54.820 -0.348 1
1 563 . 10 1 1 A 48 48 ASP CB C 48 41.795 42.291 -0.496 1
1 564 . 10 1 1 A 48 48 ASP N N 48 117.812 119.109 -1.297 1
1 565 . 10 1 1 A 49 49 VAL H H 49 7.192 7.556 -0.364 1
1 566 . 10 1 1 A 49 49 VAL HA H 49 4.137 4.096 0.041 1
1 574 . 10 1 1 A 49 49 VAL C C 49 175.326 175.936 -0.610 1
1 575 . 10 1 1 A 49 49 VAL CA C 49 62.987 62.460 0.527 1
1 576 . 10 1 1 A 49 49 VAL CB C 49 32.759 32.389 0.370 1
1 579 . 10 1 1 A 49 49 VAL N N 49 118.329 119.461 -1.132 1
1 580 . 10 1 1 A 50 50 GLU H H 50 8.417 8.668 -0.251 1
1 581 . 10 1 1 A 50 50 GLU HA H 50 4.526 5.036 -0.510 1
1 586 . 10 1 1 A 50 50 GLU C C 50 175.395 175.540 -0.145 1
1 587 . 10 1 1 A 50 50 GLU CA C 50 56.376 55.411 0.965 1
1 588 . 10 1 1 A 50 50 GLU CB C 50 29.216 30.921 -1.705 1
1 590 . 10 1 1 A 50 50 GLU N N 50 124.475 121.561 2.914 1
1 591 . 10 1 1 A 51 51 ILE H H 51 7.483 8.743 -1.260 1
1 592 . 10 1 1 A 51 51 ILE HA H 51 4.068 4.554 -0.486 1
1 602 . 10 1 1 A 51 51 ILE C C 51 175.838 174.823 1.015 1
1 603 . 10 1 1 A 51 51 ILE CA C 51 60.572 59.567 1.005 1
1 604 . 10 1 1 A 51 51 ILE CB C 51 41.701 41.787 -0.086 1
1 608 . 10 1 1 A 51 51 ILE N N 51 125.565 124.816 0.749 1
1 609 . 10 1 1 A 52 52 GLN H H 52 9.055 8.527 0.528 1
1 610 . 10 1 1 A 52 52 GLN HA H 52 4.042 3.905 0.137 1
1 617 . 10 1 1 A 52 52 GLN C C 52 176.011 176.267 -0.256 1
1 618 . 10 1 1 A 52 52 GLN CA C 52 58.264 57.610 0.654 1
1 619 . 10 1 1 A 52 52 GLN CB C 52 28.458 28.415 0.043 1
1 621 . 10 1 1 A 52 52 GLN N N 52 130.354 125.394 4.960 1
1 623 . 10 1 1 A 53 53 ASP H H 53 9.244 9.528 -0.284 1
1 624 . 10 1 1 A 53 53 ASP HA H 53 4.529 4.372 0.157 1
1 627 . 10 1 1 A 53 53 ASP C C 53 176.419 175.745 0.674 1
1 628 . 10 1 1 A 53 53 ASP CA C 53 56.605 55.491 1.114 1
1 629 . 10 1 1 A 53 53 ASP CB C 53 39.788 38.998 0.790 1
1 630 . 10 1 1 A 53 53 ASP N N 53 119.289 122.327 -3.038 1
1 631 . 10 1 1 A 54 54 TYR H H 54 7.920 8.262 -0.342 1
1 632 . 10 1 1 A 54 54 TYR HA H 54 4.388 4.366 0.022 1
1 639 . 10 1 1 A 54 54 TYR C C 54 178.807 177.422 1.385 1
1 640 . 10 1 1 A 54 54 TYR CA C 54 57.557 61.180 -3.623 1
1 641 . 10 1 1 A 54 54 TYR CB C 54 37.745 38.685 -0.940 1
1 646 . 10 1 1 A 54 54 TYR N N 54 120.852 119.315 1.537 1
1 647 . 10 1 1 A 55 55 ASP H H 55 8.942 8.154 0.788 1
1 648 . 10 1 1 A 55 55 ASP HA H 55 4.155 4.234 -0.079 1
1 651 . 10 1 1 A 55 55 ASP C C 55 178.492 178.917 -0.425 1
1 652 . 10 1 1 A 55 55 ASP CA C 55 57.839 57.236 0.603 1
1 653 . 10 1 1 A 55 55 ASP CB C 55 39.955 40.388 -0.433 1
1 654 . 10 1 1 A 55 55 ASP N N 55 114.884 120.133 -5.249 1
1 655 . 10 1 1 A 56 56 LEU H H 56 7.585 8.277 -0.692 1
1 656 . 10 1 1 A 56 56 LEU HA H 56 3.968 3.929 0.039 1
1 666 . 10 1 1 A 56 56 LEU C C 56 180.237 179.195 1.042 1
1 667 . 10 1 1 A 56 56 LEU CA C 56 57.892 58.264 -0.372 1
1 668 . 10 1 1 A 56 56 LEU CB C 56 41.204 41.857 -0.653 1
1 672 . 10 1 1 A 56 56 LEU N N 56 121.328 120.151 1.177 1
1 673 . 10 1 1 A 57 57 PHE H H 57 7.735 8.154 -0.419 1
1 674 . 10 1 1 A 57 57 PHE HA H 57 4.182 4.187 -0.005 1
1 682 . 10 1 1 A 57 57 PHE C C 57 179.437 178.233 1.204 1
1 683 . 10 1 1 A 57 57 PHE CA C 57 62.756 61.097 1.659 1
1 684 . 10 1 1 A 57 57 PHE CB C 57 38.803 39.021 -0.218 1
1 690 . 10 1 1 A 57 57 PHE N N 57 118.200 117.786 0.414 1
1 691 . 10 1 1 A 58 58 LYS H H 58 8.834 7.814 1.020 1
1 692 . 10 1 1 A 58 58 LYS HA H 58 3.515 3.658 -0.143 1
1 701 . 10 1 1 A 58 58 LYS C C 58 177.565 179.237 -1.672 1
1 702 . 10 1 1 A 58 58 LYS CA C 58 60.851 59.529 1.322 1
1 703 . 10 1 1 A 58 58 LYS CB C 58 33.102 31.999 1.103 1
1 707 . 10 1 1 A 58 58 LYS N N 58 123.283 117.923 5.360 1
1 708 . 10 1 1 A 59 59 GLN H H 59 7.955 8.548 -0.593 1
1 709 . 10 1 1 A 59 59 GLN HA H 59 4.104 4.206 -0.102 1
1 716 . 10 1 1 A 59 59 GLN C C 59 178.948 178.209 0.739 1
1 717 . 10 1 1 A 59 59 GLN CA C 59 59.249 58.971 0.278 1
1 718 . 10 1 1 A 59 59 GLN CB C 59 28.185 28.703 -0.518 1
1 720 . 10 1 1 A 59 59 GLN N N 59 117.353 119.978 -2.625 1
1 722 . 10 1 1 A 60 60 SER H H 60 7.821 7.865 -0.044 1
1 723 . 10 1 1 A 60 60 SER HA H 60 4.233 4.186 0.047 1
1 726 . 10 1 1 A 60 60 SER C C 60 176.403 175.969 0.434 1
1 727 . 10 1 1 A 60 60 SER CA C 60 60.954 61.584 -0.630 1
1 728 . 10 1 1 A 60 60 SER CB C 60 63.007 63.300 -0.293 1
1 729 . 10 1 1 A 60 60 SER N N 60 112.660 114.524 -1.864 1
1 730 . 10 1 1 A 61 61 TYR H H 61 7.858 8.225 -0.367 1
1 731 . 10 1 1 A 61 61 TYR HA H 61 4.084 4.046 0.038 1
1 734 . 10 1 1 A 61 61 TYR C C 61 177.358 177.439 -0.081 1
1 735 . 10 1 1 A 61 61 TYR CA C 61 61.217 61.939 -0.722 1
1 736 . 10 1 1 A 61 61 TYR CB C 61 38.470 38.530 -0.060 1
1 739 . 10 1 1 A 61 61 TYR N N 61 122.550 121.652 0.898 1
1 740 . 10 1 1 A 62 62 TRP H H 62 7.754 7.703 0.051 1
1 741 . 10 1 1 A 62 62 TRP HA H 62 4.273 4.429 -0.156 1
1 750 . 10 1 1 A 62 62 TRP C C 62 176.694 179.172 -2.478 1
1 751 . 10 1 1 A 62 62 TRP CA C 62 58.061 60.511 -2.450 1
1 752 . 10 1 1 A 62 62 TRP CB C 62 30.047 29.419 0.628 1
1 758 . 10 1 1 A 62 62 TRP N N 62 116.320 120.001 -3.681 1
1 760 . 10 1 1 A 63 63 ASN H H 63 7.800 8.272 -0.472 1
1 761 . 10 1 1 A 63 63 ASN HA H 63 4.688 4.434 0.254 1
1 766 . 10 1 1 A 63 63 ASN C C 63 174.055 177.561 -3.506 1
1 767 . 10 1 1 A 63 63 ASN CA C 63 53.484 56.625 -3.141 1
1 768 . 10 1 1 A 63 63 ASN CB C 63 38.645 38.109 0.536 1
1 769 . 10 1 1 A 63 63 ASN N N 63 117.543 117.621 -0.078 1
1 1 . 11 1 1 A 6 6 SER HA H 6 4.447 4.278 0.169 1
1 3 . 11 1 1 A 6 6 SER C C 6 174.919 174.583 0.336 1
1 4 . 11 1 1 A 6 6 SER CA C 6 58.632 60.421 -1.789 1
1 5 . 11 1 1 A 6 6 SER CB C 6 63.826 63.480 0.346 1
1 6 . 11 1 1 A 7 7 GLY H H 7 8.381 8.700 -0.319 1
1 7 . 11 1 1 A 7 7 GLY HA2 H 7 3.956 4.187 -0.231 1
1 8 . 11 1 1 A 7 7 GLY HA3 H 7 3.907 4.188 -0.281 1
1 9 . 11 1 1 A 7 7 GLY C C 7 173.610 172.522 1.088 1
1 10 . 11 1 1 A 7 7 GLY CA C 7 45.128 44.416 0.712 1
1 11 . 11 1 1 A 7 7 GLY N N 7 110.672 113.696 -3.024 1
1 12 . 11 1 1 A 8 8 LYS H H 8 7.989 8.607 -0.618 1
1 13 . 11 1 1 A 8 8 LYS HA H 8 4.430 4.581 -0.151 1
1 22 . 11 1 1 A 8 8 LYS C C 8 174.322 174.201 0.121 1
1 23 . 11 1 1 A 8 8 LYS CA C 8 53.436 53.398 0.038 1
1 24 . 11 1 1 A 8 8 LYS CB C 8 31.892 31.904 -0.012 1
1 28 . 11 1 1 A 8 8 LYS N N 8 121.270 120.623 0.647 1
1 29 . 11 1 1 A 9 9 PRO HA H 9 4.131 4.493 -0.362 1
1 36 . 11 1 1 A 9 9 PRO C C 9 177.331 177.193 0.138 1
1 37 . 11 1 1 A 9 9 PRO CA C 9 62.970 62.560 0.410 1
1 38 . 11 1 1 A 9 9 PRO CB C 9 31.894 31.224 0.670 1
1 41 . 11 1 1 A 10 10 GLU H H 10 8.649 8.616 0.033 1
1 42 . 11 1 1 A 10 10 GLU HA H 10 3.960 3.942 0.018 1
1 47 . 11 1 1 A 10 10 GLU C C 10 175.849 178.287 -2.438 1
1 48 . 11 1 1 A 10 10 GLU CA C 10 58.051 59.290 -1.239 1
1 49 . 11 1 1 A 10 10 GLU CB C 10 29.627 29.095 0.532 1
1 51 . 11 1 1 A 10 10 GLU N N 10 120.707 123.507 -2.800 1
1 52 . 11 1 1 A 11 11 TRP H H 11 7.131 8.260 -1.129 1
1 53 . 11 1 1 A 11 11 TRP HA H 11 4.548 4.392 0.156 1
1 62 . 11 1 1 A 11 11 TRP C C 11 176.362 177.132 -0.770 1
1 63 . 11 1 1 A 11 11 TRP CA C 11 55.758 60.390 -4.632 1
1 64 . 11 1 1 A 11 11 TRP CB C 11 29.285 28.172 1.113 1
1 70 . 11 1 1 A 11 11 TRP N N 11 115.904 119.299 -3.395 1
1 72 . 11 1 1 A 12 12 MET H H 12 7.289 6.389 0.900 1
1 73 . 11 1 1 A 12 12 MET HA H 12 4.054 3.595 0.459 1
1 81 . 11 1 1 A 12 12 MET C C 12 174.357 175.559 -1.202 1
1 82 . 11 1 1 A 12 12 MET CA C 12 55.900 55.837 0.063 1
1 83 . 11 1 1 A 12 12 MET CB C 12 31.808 32.445 -0.637 1
1 86 . 11 1 1 A 12 12 MET N N 12 122.155 120.588 1.567 1
1 87 . 11 1 1 A 13 13 MET H H 13 8.569 8.936 -0.367 1
1 88 . 11 1 1 A 13 13 MET HA H 13 4.890 5.148 -0.258 1
1 96 . 11 1 1 A 13 13 MET C C 13 175.898 174.839 1.059 1
1 97 . 11 1 1 A 13 13 MET CA C 13 53.784 53.834 -0.050 1
1 98 . 11 1 1 A 13 13 MET CB C 13 35.100 35.104 -0.004 1
1 101 . 11 1 1 A 13 13 MET N N 13 121.084 121.359 -0.275 1
1 102 . 11 1 1 A 14 14 ILE H H 14 9.144 8.724 0.420 1
1 103 . 11 1 1 A 14 14 ILE HA H 14 2.912 4.186 -1.274 1
1 113 . 11 1 1 A 14 14 ILE C C 14 174.810 175.992 -1.182 1
1 114 . 11 1 1 A 14 14 ILE CA C 14 63.803 60.349 3.454 1
1 115 . 11 1 1 A 14 14 ILE CB C 14 38.974 37.045 1.929 1
1 119 . 11 1 1 A 14 14 ILE N N 14 125.919 123.303 2.616 1
1 120 . 11 1 1 A 15 15 HIS H H 15 8.926 8.496 0.430 1
1 121 . 11 1 1 A 15 15 HIS HA H 15 4.690 4.206 0.484 1
1 125 . 11 1 1 A 15 15 HIS C C 15 174.715 174.858 -0.143 1
1 126 . 11 1 1 A 15 15 HIS CA C 15 55.829 60.121 -4.292 1
1 127 . 11 1 1 A 15 15 HIS CB C 15 33.853 30.461 3.392 1
1 129 . 11 1 1 A 15 15 HIS N N 15 125.470 128.428 -2.958 1
1 130 . 11 1 1 A 16 16 ARG H H 16 7.529 7.574 -0.045 1
1 131 . 11 1 1 A 16 16 ARG HA H 16 4.193 4.902 -0.709 1
1 138 . 11 1 1 A 16 16 ARG C C 16 173.315 174.653 -1.338 1
1 139 . 11 1 1 A 16 16 ARG CA C 16 55.329 55.368 -0.039 1
1 140 . 11 1 1 A 16 16 ARG CB C 16 33.252 32.837 0.415 1
1 143 . 11 1 1 A 16 16 ARG N N 16 111.315 113.960 -2.645 1
1 144 . 11 1 1 A 17 17 ILE H H 17 8.396 8.858 -0.462 1
1 145 . 11 1 1 A 17 17 ILE HA H 17 4.052 3.908 0.144 1
1 155 . 11 1 1 A 17 17 ILE C C 17 175.341 175.290 0.051 1
1 156 . 11 1 1 A 17 17 ILE CA C 17 61.859 61.656 0.203 1
1 157 . 11 1 1 A 17 17 ILE CB C 17 37.952 36.590 1.362 1
1 161 . 11 1 1 A 17 17 ILE N N 17 121.157 123.630 -2.473 1
1 162 . 11 1 1 A 18 18 LEU H H 18 9.102 8.482 0.620 1
1 163 . 11 1 1 A 18 18 LEU HA H 18 4.253 3.903 0.350 1
1 173 . 11 1 1 A 18 18 LEU C C 18 176.622 176.377 0.245 1
1 174 . 11 1 1 A 18 18 LEU CA C 18 55.422 57.198 -1.776 1
1 175 . 11 1 1 A 18 18 LEU CB C 18 43.410 41.884 1.526 1
1 179 . 11 1 1 A 18 18 LEU N N 18 124.326 129.918 -5.592 1
1 180 . 11 1 1 A 19 19 ASN H H 19 7.343 7.428 -0.085 1
1 181 . 11 1 1 A 19 19 ASN HA H 19 5.227 5.018 0.209 1
1 186 . 11 1 1 A 19 19 ASN C C 19 172.527 173.428 -0.901 1
1 187 . 11 1 1 A 19 19 ASN CA C 19 51.140 52.320 -1.180 1
1 188 . 11 1 1 A 19 19 ASN CB C 19 40.795 41.856 -1.061 1
1 189 . 11 1 1 A 19 19 ASN N N 19 113.895 111.965 1.930 1
1 191 . 11 1 1 A 20 20 HIS H H 20 8.816 8.957 -0.141 1
1 192 . 11 1 1 A 20 20 HIS HA H 20 5.875 6.295 -0.420 1
1 197 . 11 1 1 A 20 20 HIS C C 20 173.013 172.357 0.656 1
1 198 . 11 1 1 A 20 20 HIS CA C 20 55.932 54.388 1.544 1
1 199 . 11 1 1 A 20 20 HIS CB C 20 35.190 33.801 1.389 1
1 202 . 11 1 1 A 20 20 HIS N N 20 118.537 116.816 1.721 1
1 203 . 11 1 1 A 21 21 SER H H 21 9.203 9.033 0.170 1
1 204 . 11 1 1 A 21 21 SER HA H 21 4.399 4.770 -0.371 1
1 207 . 11 1 1 A 21 21 SER C C 21 172.382 172.682 -0.300 1
1 208 . 11 1 1 A 21 21 SER CA C 21 57.063 56.432 0.631 1
1 209 . 11 1 1 A 21 21 SER CB C 21 65.417 65.005 0.412 1
1 210 . 11 1 1 A 21 21 SER N N 21 115.006 114.657 0.349 1
1 211 . 11 1 1 A 22 22 VAL H H 22 8.493 8.778 -0.285 1
1 212 . 11 1 1 A 22 22 VAL HA H 22 4.961 4.324 0.637 1
1 220 . 11 1 1 A 22 22 VAL C C 22 176.199 175.239 0.960 1
1 221 . 11 1 1 A 22 22 VAL CA C 22 61.066 62.039 -0.973 1
1 222 . 11 1 1 A 22 22 VAL CB C 22 33.732 30.916 2.816 1
1 225 . 11 1 1 A 22 22 VAL N N 22 124.080 126.905 -2.825 1
1 226 . 11 1 1 A 23 23 ASP H H 23 8.667 7.824 0.843 1
1 227 . 11 1 1 A 23 23 ASP HA H 23 4.688 4.242 0.446 1
1 230 . 11 1 1 A 23 23 ASP C C 23 178.629 177.531 1.098 1
1 231 . 11 1 1 A 23 23 ASP CA C 23 52.814 54.593 -1.779 1
1 232 . 11 1 1 A 23 23 ASP CB C 23 41.525 42.518 -0.993 1
1 233 . 11 1 1 A 23 23 ASP N N 23 127.673 127.868 -0.195 1
1 234 . 11 1 1 A 24 24 LYS H H 24 8.242 8.895 -0.653 1
1 235 . 11 1 1 A 24 24 LYS HA H 24 4.077 3.829 0.248 1
1 244 . 11 1 1 A 24 24 LYS C C 24 177.637 178.201 -0.564 1
1 245 . 11 1 1 A 24 24 LYS CA C 24 58.419 60.163 -1.744 1
1 246 . 11 1 1 A 24 24 LYS CB C 24 32.057 32.132 -0.075 1
1 250 . 11 1 1 A 24 24 LYS N N 24 116.378 126.415 -10.037 1
1 251 . 11 1 1 A 25 25 LYS H H 25 8.128 7.975 0.153 1
1 252 . 11 1 1 A 25 25 LYS HA H 25 4.379 4.083 0.296 1
1 261 . 11 1 1 A 25 25 LYS C C 25 176.600 176.563 0.037 1
1 262 . 11 1 1 A 25 25 LYS CA C 25 55.411 57.337 -1.926 1
1 263 . 11 1 1 A 25 25 LYS CB C 25 32.516 32.919 -0.403 1
1 267 . 11 1 1 A 25 25 LYS N N 25 118.184 116.848 1.336 1
1 268 . 11 1 1 A 26 26 GLY H H 26 8.040 8.158 -0.118 1
1 269 . 11 1 1 A 26 26 GLY HA2 H 26 4.125 4.045 0.080 1
1 270 . 11 1 1 A 26 26 GLY HA3 H 26 3.428 4.079 -0.651 1
1 271 . 11 1 1 A 26 26 GLY C C 26 174.048 174.723 -0.675 1
1 272 . 11 1 1 A 26 26 GLY CA C 26 45.235 45.228 0.007 1
1 273 . 11 1 1 A 26 26 GLY N N 26 108.208 105.697 2.511 1
1 274 . 11 1 1 A 27 27 HIS H H 27 8.599 8.014 0.585 1
1 275 . 11 1 1 A 27 27 HIS HA H 27 4.491 4.464 0.027 1
1 279 . 11 1 1 A 27 27 HIS C C 27 174.516 174.452 0.064 1
1 280 . 11 1 1 A 27 27 HIS CA C 27 55.935 57.038 -1.103 1
1 281 . 11 1 1 A 27 27 HIS CB C 27 29.257 29.342 -0.085 1
1 283 . 11 1 1 A 27 27 HIS N N 27 123.031 118.798 4.233 1
1 284 . 11 1 1 A 28 28 VAL H H 28 8.330 8.574 -0.244 1
1 285 . 11 1 1 A 28 28 VAL HA H 28 4.776 4.020 0.756 1
1 293 . 11 1 1 A 28 28 VAL C C 28 174.798 175.689 -0.891 1
1 294 . 11 1 1 A 28 28 VAL CA C 28 62.070 63.524 -1.454 1
1 295 . 11 1 1 A 28 28 VAL CB C 28 32.965 31.850 1.115 1
1 298 . 11 1 1 A 28 28 VAL N N 28 127.641 125.254 2.387 1
1 299 . 11 1 1 A 29 29 HIS H H 29 8.887 9.361 -0.474 1
1 300 . 11 1 1 A 29 29 HIS HA H 29 5.071 5.416 -0.345 1
1 305 . 11 1 1 A 29 29 HIS C C 29 173.998 173.985 0.013 1
1 306 . 11 1 1 A 29 29 HIS CA C 29 54.841 53.921 0.920 1
1 307 . 11 1 1 A 29 29 HIS CB C 29 33.921 32.575 1.346 1
1 310 . 11 1 1 A 29 29 HIS N N 29 124.946 126.697 -1.751 1
1 311 . 11 1 1 A 30 30 TYR H H 30 9.630 9.642 -0.012 1
1 312 . 11 1 1 A 30 30 TYR HA H 30 5.092 5.254 -0.162 1
1 319 . 11 1 1 A 30 30 TYR C C 30 173.451 174.648 -1.197 1
1 320 . 11 1 1 A 30 30 TYR CA C 30 57.627 56.628 0.999 1
1 321 . 11 1 1 A 30 30 TYR CB C 30 41.124 40.512 0.612 1
1 326 . 11 1 1 A 30 30 TYR N N 30 119.246 121.210 -1.964 1
1 327 . 11 1 1 A 31 31 LEU H H 31 7.804 8.876 -1.072 1
1 328 . 11 1 1 A 31 31 LEU HA H 31 3.561 3.566 -0.005 1
1 338 . 11 1 1 A 31 31 LEU C C 31 173.742 174.658 -0.916 1
1 339 . 11 1 1 A 31 31 LEU CA C 31 53.120 54.243 -1.123 1
1 340 . 11 1 1 A 31 31 LEU CB C 31 39.479 41.070 -1.591 1
1 344 . 11 1 1 A 31 31 LEU N N 31 125.982 126.672 -0.690 1
1 345 . 11 1 1 A 32 32 ILE H H 32 8.861 8.183 0.678 1
1 346 . 11 1 1 A 32 32 ILE HA H 32 3.402 3.965 -0.563 1
1 356 . 11 1 1 A 32 32 ILE C C 32 173.769 174.532 -0.763 1
1 357 . 11 1 1 A 32 32 ILE CA C 32 61.356 60.945 0.411 1
1 358 . 11 1 1 A 32 32 ILE CB C 32 39.405 37.515 1.890 1
1 362 . 11 1 1 A 32 32 ILE N N 32 129.827 127.568 2.259 1
1 363 . 11 1 1 A 33 33 LYS H H 33 7.951 8.546 -0.595 1
1 364 . 11 1 1 A 33 33 LYS HA H 33 4.111 4.549 -0.438 1
1 373 . 11 1 1 A 33 33 LYS C C 33 174.920 175.221 -0.301 1
1 374 . 11 1 1 A 33 33 LYS CA C 33 54.849 54.487 0.362 1
1 375 . 11 1 1 A 33 33 LYS CB C 33 33.162 33.483 -0.321 1
1 379 . 11 1 1 A 33 33 LYS N N 33 124.612 126.953 -2.341 1
1 380 . 11 1 1 A 34 34 TRP H H 34 8.145 8.251 -0.106 1
1 381 . 11 1 1 A 34 34 TRP HA H 34 4.690 4.688 0.002 1
1 390 . 11 1 1 A 34 34 TRP C C 34 177.144 177.225 -0.081 1
1 391 . 11 1 1 A 34 34 TRP CA C 34 55.582 58.416 -2.834 1
1 392 . 11 1 1 A 34 34 TRP CB C 34 30.832 29.350 1.482 1
1 398 . 11 1 1 A 34 34 TRP N N 34 132.766 127.718 5.048 1
1 400 . 11 1 1 A 35 35 ARG H H 35 9.199 8.272 0.927 1
1 401 . 11 1 1 A 35 35 ARG HA H 35 3.742 4.149 -0.407 1
1 408 . 11 1 1 A 35 35 ARG C C 35 176.307 178.097 -1.790 1
1 409 . 11 1 1 A 35 35 ARG CA C 35 58.738 60.335 -1.597 1
1 410 . 11 1 1 A 35 35 ARG CB C 35 30.254 30.093 0.161 1
1 413 . 11 1 1 A 35 35 ARG N N 35 124.433 126.436 -2.003 1
1 414 . 11 1 1 A 36 36 ASP H H 36 8.812 8.476 0.336 1
1 415 . 11 1 1 A 36 36 ASP HA H 36 4.294 4.471 -0.177 1
1 418 . 11 1 1 A 36 36 ASP C C 36 174.269 176.714 -2.445 1
1 419 . 11 1 1 A 36 36 ASP CA C 36 55.948 57.729 -1.781 1
1 420 . 11 1 1 A 36 36 ASP CB C 36 39.960 41.591 -1.631 1
1 421 . 11 1 1 A 36 36 ASP N N 36 115.622 119.585 -3.963 1
1 422 . 11 1 1 A 37 37 LEU H H 37 7.372 7.882 -0.510 1
1 423 . 11 1 1 A 37 37 LEU HA H 37 4.966 4.538 0.428 1
1 433 . 11 1 1 A 37 37 LEU C C 37 174.638 174.914 -0.276 1
1 434 . 11 1 1 A 37 37 LEU CA C 37 51.968 53.266 -1.298 1
1 435 . 11 1 1 A 37 37 LEU CB C 37 44.421 41.197 3.224 1
1 439 . 11 1 1 A 37 37 LEU N N 37 119.137 120.555 -1.418 1
1 440 . 11 1 1 A 38 38 PRO HA H 38 4.559 4.700 -0.141 1
1 447 . 11 1 1 A 38 38 PRO C C 38 178.256 176.232 2.024 1
1 448 . 11 1 1 A 38 38 PRO CA C 38 62.332 62.369 -0.037 1
1 449 . 11 1 1 A 38 38 PRO CB C 38 33.232 33.408 -0.176 1
1 452 . 11 1 1 A 39 39 TYR H H 39 8.933 8.901 0.032 1
1 453 . 11 1 1 A 39 39 TYR HA H 39 3.758 4.269 -0.511 1
1 460 . 11 1 1 A 39 39 TYR C C 39 177.241 177.452 -0.211 1
1 461 . 11 1 1 A 39 39 TYR CA C 39 62.934 60.792 2.142 1
1 462 . 11 1 1 A 39 39 TYR CB C 39 38.451 39.042 -0.591 1
1 467 . 11 1 1 A 39 39 TYR N N 39 122.113 120.778 1.335 1
1 468 . 11 1 1 A 40 40 ASP H H 40 8.439 8.514 -0.075 1
1 469 . 11 1 1 A 40 40 ASP HA H 40 4.407 4.525 -0.118 1
1 472 . 11 1 1 A 40 40 ASP C C 40 176.645 177.143 -0.498 1
1 473 . 11 1 1 A 40 40 ASP CA C 40 55.335 56.340 -1.005 1
1 474 . 11 1 1 A 40 40 ASP CB C 40 39.476 40.684 -1.208 1
1 475 . 11 1 1 A 40 40 ASP N N 40 115.019 119.051 -4.032 1
1 476 . 11 1 1 A 41 41 GLN H H 41 7.761 7.661 0.100 1
1 477 . 11 1 1 A 41 41 GLN HA H 41 4.457 4.397 0.060 1
1 484 . 11 1 1 A 41 41 GLN C C 41 175.665 176.200 -0.535 1
1 485 . 11 1 1 A 41 41 GLN CA C 41 55.031 55.793 -0.762 1
1 486 . 11 1 1 A 41 41 GLN CB C 41 29.606 30.070 -0.464 1
1 488 . 11 1 1 A 41 41 GLN N N 41 117.630 116.719 0.911 1
1 490 . 11 1 1 A 42 42 ALA H H 42 7.379 7.288 0.091 1
1 491 . 11 1 1 A 42 42 ALA HA H 42 4.776 4.092 0.684 1
1 495 . 11 1 1 A 42 42 ALA C C 42 177.103 177.215 -0.112 1
1 496 . 11 1 1 A 42 42 ALA CA C 42 53.572 52.914 0.658 1
1 497 . 11 1 1 A 42 42 ALA CB C 42 18.951 19.061 -0.110 1
1 498 . 11 1 1 A 42 42 ALA N N 42 123.425 123.529 -0.104 1
1 499 . 11 1 1 A 43 43 SER H H 43 8.521 8.032 0.489 1
1 500 . 11 1 1 A 43 43 SER HA H 43 4.861 5.101 -0.240 1
1 503 . 11 1 1 A 43 43 SER C C 43 172.947 172.965 -0.018 1
1 504 . 11 1 1 A 43 43 SER CA C 43 56.852 57.230 -0.378 1
1 505 . 11 1 1 A 43 43 SER CB C 43 66.734 66.475 0.259 1
1 506 . 11 1 1 A 43 43 SER N N 43 115.967 115.811 0.156 1
1 507 . 11 1 1 A 44 44 TRP H H 44 8.699 8.933 -0.234 1
1 508 . 11 1 1 A 44 44 TRP HA H 44 5.081 4.977 0.104 1
1 517 . 11 1 1 A 44 44 TRP C C 44 177.207 176.591 0.616 1
1 518 . 11 1 1 A 44 44 TRP CA C 44 56.648 56.878 -0.230 1
1 519 . 11 1 1 A 44 44 TRP CB C 44 29.592 30.494 -0.902 1
1 525 . 11 1 1 A 44 44 TRP N N 44 123.015 124.363 -1.348 1
1 527 . 11 1 1 A 45 45 GLU H H 45 9.773 8.715 1.058 1
1 528 . 11 1 1 A 45 45 GLU HA H 45 5.156 4.873 0.283 1
1 533 . 11 1 1 A 45 45 GLU C C 45 176.249 175.575 0.674 1
1 534 . 11 1 1 A 45 45 GLU CA C 45 53.378 54.611 -1.233 1
1 535 . 11 1 1 A 45 45 GLU CB C 45 31.950 32.916 -0.966 1
1 537 . 11 1 1 A 45 45 GLU N N 45 122.799 123.021 -0.222 1
1 538 . 11 1 1 A 46 46 SER H H 46 9.121 8.686 0.435 1
1 539 . 11 1 1 A 46 46 SER HA H 46 4.106 4.311 -0.205 1
1 542 . 11 1 1 A 46 46 SER C C 46 178.218 175.765 2.453 1
1 543 . 11 1 1 A 46 46 SER CA C 46 58.791 58.154 0.637 1
1 544 . 11 1 1 A 46 46 SER CB C 46 63.100 63.854 -0.754 1
1 545 . 11 1 1 A 46 46 SER N N 46 116.892 120.100 -3.208 1
1 546 . 11 1 1 A 47 47 GLU H H 47 8.588 8.566 0.022 1
1 547 . 11 1 1 A 47 47 GLU HA H 47 4.327 4.922 -0.595 1
1 552 . 11 1 1 A 47 47 GLU C C 47 174.707 176.305 -1.598 1
1 553 . 11 1 1 A 47 47 GLU CA C 47 58.693 56.928 1.765 1
1 554 . 11 1 1 A 47 47 GLU CB C 47 29.990 29.607 0.383 1
1 556 . 11 1 1 A 47 47 GLU N N 47 125.534 123.080 2.454 1
1 557 . 11 1 1 A 48 48 ASP H H 48 8.415 8.134 0.281 1
1 558 . 11 1 1 A 48 48 ASP HA H 48 4.847 4.836 0.011 1
1 561 . 11 1 1 A 48 48 ASP C C 48 176.853 176.072 0.781 1
1 562 . 11 1 1 A 48 48 ASP CA C 48 54.472 54.704 -0.232 1
1 563 . 11 1 1 A 48 48 ASP CB C 48 41.795 42.424 -0.629 1
1 564 . 11 1 1 A 48 48 ASP N N 48 117.812 118.767 -0.955 1
1 565 . 11 1 1 A 49 49 VAL H H 49 7.192 7.567 -0.375 1
1 566 . 11 1 1 A 49 49 VAL HA H 49 4.137 4.061 0.076 1
1 574 . 11 1 1 A 49 49 VAL C C 49 175.326 175.550 -0.224 1
1 575 . 11 1 1 A 49 49 VAL CA C 49 62.987 62.099 0.888 1
1 576 . 11 1 1 A 49 49 VAL CB C 49 32.759 32.319 0.440 1
1 579 . 11 1 1 A 49 49 VAL N N 49 118.329 117.196 1.133 1
1 580 . 11 1 1 A 50 50 GLU H H 50 8.417 8.952 -0.535 1
1 581 . 11 1 1 A 50 50 GLU HA H 50 4.526 5.054 -0.528 1
1 586 . 11 1 1 A 50 50 GLU C C 50 175.395 175.535 -0.140 1
1 587 . 11 1 1 A 50 50 GLU CA C 50 56.376 55.171 1.205 1
1 588 . 11 1 1 A 50 50 GLU CB C 50 29.216 30.939 -1.723 1
1 590 . 11 1 1 A 50 50 GLU N N 50 124.475 122.746 1.729 1
1 591 . 11 1 1 A 51 51 ILE H H 51 7.483 8.714 -1.231 1
1 592 . 11 1 1 A 51 51 ILE HA H 51 4.068 4.657 -0.589 1
1 602 . 11 1 1 A 51 51 ILE C C 51 175.838 175.388 0.450 1
1 603 . 11 1 1 A 51 51 ILE CA C 51 60.572 59.410 1.162 1
1 604 . 11 1 1 A 51 51 ILE CB C 51 41.701 40.851 0.850 1
1 608 . 11 1 1 A 51 51 ILE N N 51 125.565 126.645 -1.080 1
1 609 . 11 1 1 A 52 52 GLN H H 52 9.055 8.534 0.521 1
1 610 . 11 1 1 A 52 52 GLN HA H 52 4.042 3.894 0.148 1
1 617 . 11 1 1 A 52 52 GLN C C 52 176.011 176.313 -0.302 1
1 618 . 11 1 1 A 52 52 GLN CA C 52 58.264 57.725 0.539 1
1 619 . 11 1 1 A 52 52 GLN CB C 52 28.458 28.469 -0.011 1
1 621 . 11 1 1 A 52 52 GLN N N 52 130.354 124.772 5.582 1
1 623 . 11 1 1 A 53 53 ASP H H 53 9.244 9.468 -0.224 1
1 624 . 11 1 1 A 53 53 ASP HA H 53 4.529 4.373 0.156 1
1 627 . 11 1 1 A 53 53 ASP C C 53 176.419 175.645 0.774 1
1 628 . 11 1 1 A 53 53 ASP CA C 53 56.605 55.528 1.077 1
1 629 . 11 1 1 A 53 53 ASP CB C 53 39.788 38.855 0.933 1
1 630 . 11 1 1 A 53 53 ASP N N 53 119.289 121.593 -2.304 1
1 631 . 11 1 1 A 54 54 TYR H H 54 7.920 8.563 -0.643 1
1 632 . 11 1 1 A 54 54 TYR HA H 54 4.388 4.317 0.071 1
1 639 . 11 1 1 A 54 54 TYR C C 54 178.807 177.455 1.352 1
1 640 . 11 1 1 A 54 54 TYR CA C 54 57.557 61.440 -3.883 1
1 641 . 11 1 1 A 54 54 TYR CB C 54 37.745 39.213 -1.468 1
1 646 . 11 1 1 A 54 54 TYR N N 54 120.852 119.392 1.460 1
1 647 . 11 1 1 A 55 55 ASP H H 55 8.942 8.364 0.578 1
1 648 . 11 1 1 A 55 55 ASP HA H 55 4.155 4.100 0.055 1
1 651 . 11 1 1 A 55 55 ASP C C 55 178.492 178.949 -0.457 1
1 652 . 11 1 1 A 55 55 ASP CA C 55 57.839 57.312 0.527 1
1 653 . 11 1 1 A 55 55 ASP CB C 55 39.955 40.222 -0.267 1
1 654 . 11 1 1 A 55 55 ASP N N 55 114.884 119.622 -4.738 1
1 655 . 11 1 1 A 56 56 LEU H H 56 7.585 8.245 -0.660 1
1 656 . 11 1 1 A 56 56 LEU HA H 56 3.968 3.904 0.064 1
1 666 . 11 1 1 A 56 56 LEU C C 56 180.237 179.182 1.055 1
1 667 . 11 1 1 A 56 56 LEU CA C 56 57.892 58.125 -0.233 1
1 668 . 11 1 1 A 56 56 LEU CB C 56 41.204 42.203 -0.999 1
1 672 . 11 1 1 A 56 56 LEU N N 56 121.328 120.400 0.928 1
1 673 . 11 1 1 A 57 57 PHE H H 57 7.735 8.163 -0.428 1
1 674 . 11 1 1 A 57 57 PHE HA H 57 4.182 4.163 0.019 1
1 682 . 11 1 1 A 57 57 PHE C C 57 179.437 178.205 1.232 1
1 683 . 11 1 1 A 57 57 PHE CA C 57 62.756 61.071 1.685 1
1 684 . 11 1 1 A 57 57 PHE CB C 57 38.803 38.954 -0.151 1
1 690 . 11 1 1 A 57 57 PHE N N 57 118.200 117.505 0.695 1
1 691 . 11 1 1 A 58 58 LYS H H 58 8.834 8.011 0.823 1
1 692 . 11 1 1 A 58 58 LYS HA H 58 3.515 3.556 -0.041 1
1 701 . 11 1 1 A 58 58 LYS C C 58 177.565 179.081 -1.516 1
1 702 . 11 1 1 A 58 58 LYS CA C 58 60.851 59.487 1.364 1
1 703 . 11 1 1 A 58 58 LYS CB C 58 33.102 31.773 1.329 1
1 707 . 11 1 1 A 58 58 LYS N N 58 123.283 117.869 5.414 1
1 708 . 11 1 1 A 59 59 GLN H H 59 7.955 8.203 -0.248 1
1 709 . 11 1 1 A 59 59 GLN HA H 59 4.104 4.185 -0.081 1
1 716 . 11 1 1 A 59 59 GLN C C 59 178.948 178.230 0.718 1
1 717 . 11 1 1 A 59 59 GLN CA C 59 59.249 58.544 0.705 1
1 718 . 11 1 1 A 59 59 GLN CB C 59 28.185 28.777 -0.592 1
1 720 . 11 1 1 A 59 59 GLN N N 59 117.353 119.877 -2.524 1
1 722 . 11 1 1 A 60 60 SER H H 60 7.821 7.911 -0.090 1
1 723 . 11 1 1 A 60 60 SER HA H 60 4.233 4.199 0.034 1
1 726 . 11 1 1 A 60 60 SER C C 60 176.403 176.167 0.236 1
1 727 . 11 1 1 A 60 60 SER CA C 60 60.954 61.578 -0.624 1
1 728 . 11 1 1 A 60 60 SER CB C 60 63.007 63.245 -0.238 1
1 729 . 11 1 1 A 60 60 SER N N 60 112.660 114.669 -2.009 1
1 730 . 11 1 1 A 61 61 TYR H H 61 7.858 8.347 -0.489 1
1 731 . 11 1 1 A 61 61 TYR HA H 61 4.084 4.056 0.028 1
1 734 . 11 1 1 A 61 61 TYR C C 61 177.358 177.308 0.050 1
1 735 . 11 1 1 A 61 61 TYR CA C 61 61.217 62.012 -0.795 1
1 736 . 11 1 1 A 61 61 TYR CB C 61 38.470 38.336 0.134 1
1 739 . 11 1 1 A 61 61 TYR N N 61 122.550 121.680 0.870 1
1 740 . 11 1 1 A 62 62 TRP H H 62 7.754 7.456 0.298 1
1 741 . 11 1 1 A 62 62 TRP HA H 62 4.273 4.088 0.185 1
1 750 . 11 1 1 A 62 62 TRP C C 62 176.694 178.800 -2.106 1
1 751 . 11 1 1 A 62 62 TRP CA C 62 58.061 60.477 -2.416 1
1 752 . 11 1 1 A 62 62 TRP CB C 62 30.047 29.258 0.789 1
1 758 . 11 1 1 A 62 62 TRP N N 62 116.320 119.414 -3.094 1
1 760 . 11 1 1 A 63 63 ASN H H 63 7.800 8.277 -0.477 1
1 761 . 11 1 1 A 63 63 ASN HA H 63 4.688 4.340 0.348 1
1 766 . 11 1 1 A 63 63 ASN C C 63 174.055 177.225 -3.170 1
1 767 . 11 1 1 A 63 63 ASN CA C 63 53.484 56.339 -2.855 1
1 768 . 11 1 1 A 63 63 ASN CB C 63 38.645 38.075 0.570 1
1 769 . 11 1 1 A 63 63 ASN N N 63 117.543 117.408 0.135 1
1 1 . 12 1 1 A 6 6 SER HA H 6 4.447 4.867 -0.420 1
1 3 . 12 1 1 A 6 6 SER C C 6 174.919 173.959 0.960 1
1 4 . 12 1 1 A 6 6 SER CA C 6 58.632 56.956 1.676 1
1 5 . 12 1 1 A 6 6 SER CB C 6 63.826 64.040 -0.214 1
1 6 . 12 1 1 A 7 7 GLY H H 7 8.381 8.716 -0.335 1
1 7 . 12 1 1 A 7 7 GLY HA2 H 7 3.956 3.983 -0.027 1
1 8 . 12 1 1 A 7 7 GLY HA3 H 7 3.907 3.984 -0.077 1
1 9 . 12 1 1 A 7 7 GLY C C 7 173.610 173.609 0.001 1
1 10 . 12 1 1 A 7 7 GLY CA C 7 45.128 46.623 -1.495 1
1 11 . 12 1 1 A 7 7 GLY N N 7 110.672 114.147 -3.475 1
1 12 . 12 1 1 A 8 8 LYS H H 8 7.989 7.871 0.118 1
1 13 . 12 1 1 A 8 8 LYS HA H 8 4.430 4.707 -0.277 1
1 22 . 12 1 1 A 8 8 LYS C C 8 174.322 173.835 0.487 1
1 23 . 12 1 1 A 8 8 LYS CA C 8 53.436 53.040 0.396 1
1 24 . 12 1 1 A 8 8 LYS CB C 8 31.892 34.636 -2.744 1
1 28 . 12 1 1 A 8 8 LYS N N 8 121.270 117.923 3.347 1
1 29 . 12 1 1 A 9 9 PRO HA H 9 4.131 4.678 -0.547 1
1 36 . 12 1 1 A 9 9 PRO C C 9 177.331 176.174 1.157 1
1 37 . 12 1 1 A 9 9 PRO CA C 9 62.970 62.706 0.264 1
1 38 . 12 1 1 A 9 9 PRO CB C 9 31.894 32.826 -0.932 1
1 41 . 12 1 1 A 10 10 GLU H H 10 8.649 8.535 0.114 1
1 42 . 12 1 1 A 10 10 GLU HA H 10 3.960 4.120 -0.160 1
1 47 . 12 1 1 A 10 10 GLU C C 10 175.849 178.754 -2.905 1
1 48 . 12 1 1 A 10 10 GLU CA C 10 58.051 58.383 -0.332 1
1 49 . 12 1 1 A 10 10 GLU CB C 10 29.627 30.586 -0.959 1
1 51 . 12 1 1 A 10 10 GLU N N 10 120.707 120.587 0.120 1
1 52 . 12 1 1 A 11 11 TRP H H 11 7.131 8.122 -0.991 1
1 53 . 12 1 1 A 11 11 TRP HA H 11 4.548 4.465 0.083 1
1 62 . 12 1 1 A 11 11 TRP C C 11 176.362 176.826 -0.464 1
1 63 . 12 1 1 A 11 11 TRP CA C 11 55.758 60.004 -4.246 1
1 64 . 12 1 1 A 11 11 TRP CB C 11 29.285 28.214 1.071 1
1 70 . 12 1 1 A 11 11 TRP N N 11 115.904 118.447 -2.543 1
1 72 . 12 1 1 A 12 12 MET H H 12 7.289 6.868 0.421 1
1 73 . 12 1 1 A 12 12 MET HA H 12 4.054 3.856 0.198 1
1 81 . 12 1 1 A 12 12 MET C C 12 174.357 175.979 -1.622 1
1 82 . 12 1 1 A 12 12 MET CA C 12 55.900 55.532 0.368 1
1 83 . 12 1 1 A 12 12 MET CB C 12 31.808 31.825 -0.017 1
1 86 . 12 1 1 A 12 12 MET N N 12 122.155 120.529 1.626 1
1 87 . 12 1 1 A 13 13 MET H H 13 8.569 9.044 -0.475 1
1 88 . 12 1 1 A 13 13 MET HA H 13 4.890 5.273 -0.383 1
1 96 . 12 1 1 A 13 13 MET C C 13 175.898 174.535 1.363 1
1 97 . 12 1 1 A 13 13 MET CA C 13 53.784 53.742 0.042 1
1 98 . 12 1 1 A 13 13 MET CB C 13 35.100 36.911 -1.811 1
1 101 . 12 1 1 A 13 13 MET N N 13 121.084 121.719 -0.635 1
1 102 . 12 1 1 A 14 14 ILE H H 14 9.144 8.724 0.420 1
1 103 . 12 1 1 A 14 14 ILE HA H 14 2.912 4.332 -1.420 1
1 113 . 12 1 1 A 14 14 ILE C C 14 174.810 175.943 -1.133 1
1 114 . 12 1 1 A 14 14 ILE CA C 14 63.803 60.335 3.468 1
1 115 . 12 1 1 A 14 14 ILE CB C 14 38.974 37.966 1.008 1
1 119 . 12 1 1 A 14 14 ILE N N 14 125.919 121.193 4.726 1
1 120 . 12 1 1 A 15 15 HIS H H 15 8.926 8.444 0.482 1
1 121 . 12 1 1 A 15 15 HIS HA H 15 4.690 4.188 0.502 1
1 125 . 12 1 1 A 15 15 HIS C C 15 174.715 174.843 -0.128 1
1 126 . 12 1 1 A 15 15 HIS CA C 15 55.829 59.894 -4.065 1
1 127 . 12 1 1 A 15 15 HIS CB C 15 33.853 30.520 3.333 1
1 129 . 12 1 1 A 15 15 HIS N N 15 125.470 128.422 -2.952 1
1 130 . 12 1 1 A 16 16 ARG H H 16 7.529 7.630 -0.101 1
1 131 . 12 1 1 A 16 16 ARG HA H 16 4.193 4.930 -0.737 1
1 138 . 12 1 1 A 16 16 ARG C C 16 173.315 174.607 -1.292 1
1 139 . 12 1 1 A 16 16 ARG CA C 16 55.329 55.458 -0.129 1
1 140 . 12 1 1 A 16 16 ARG CB C 16 33.252 32.937 0.315 1
1 143 . 12 1 1 A 16 16 ARG N N 16 111.315 113.876 -2.561 1
1 144 . 12 1 1 A 17 17 ILE H H 17 8.396 9.001 -0.605 1
1 145 . 12 1 1 A 17 17 ILE HA H 17 4.052 3.935 0.117 1
1 155 . 12 1 1 A 17 17 ILE C C 17 175.341 175.314 0.027 1
1 156 . 12 1 1 A 17 17 ILE CA C 17 61.859 61.601 0.258 1
1 157 . 12 1 1 A 17 17 ILE CB C 17 37.952 36.832 1.120 1
1 161 . 12 1 1 A 17 17 ILE N N 17 121.157 124.047 -2.890 1
1 162 . 12 1 1 A 18 18 LEU H H 18 9.102 8.426 0.676 1
1 163 . 12 1 1 A 18 18 LEU HA H 18 4.253 4.019 0.234 1
1 173 . 12 1 1 A 18 18 LEU C C 18 176.622 176.411 0.211 1
1 174 . 12 1 1 A 18 18 LEU CA C 18 55.422 56.805 -1.383 1
1 175 . 12 1 1 A 18 18 LEU CB C 18 43.410 42.114 1.296 1
1 179 . 12 1 1 A 18 18 LEU N N 18 124.326 129.732 -5.406 1
1 180 . 12 1 1 A 19 19 ASN H H 19 7.343 7.345 -0.002 1
1 181 . 12 1 1 A 19 19 ASN HA H 19 5.227 4.965 0.262 1
1 186 . 12 1 1 A 19 19 ASN C C 19 172.527 173.239 -0.712 1
1 187 . 12 1 1 A 19 19 ASN CA C 19 51.140 52.257 -1.117 1
1 188 . 12 1 1 A 19 19 ASN CB C 19 40.795 41.638 -0.843 1
1 189 . 12 1 1 A 19 19 ASN N N 19 113.895 111.932 1.963 1
1 191 . 12 1 1 A 20 20 HIS H H 20 8.816 8.893 -0.077 1
1 192 . 12 1 1 A 20 20 HIS HA H 20 5.875 6.125 -0.250 1
1 197 . 12 1 1 A 20 20 HIS C C 20 173.013 172.900 0.113 1
1 198 . 12 1 1 A 20 20 HIS CA C 20 55.932 54.295 1.637 1
1 199 . 12 1 1 A 20 20 HIS CB C 20 35.190 33.854 1.336 1
1 202 . 12 1 1 A 20 20 HIS N N 20 118.537 116.664 1.873 1
1 203 . 12 1 1 A 21 21 SER H H 21 9.203 8.810 0.393 1
1 204 . 12 1 1 A 21 21 SER HA H 21 4.399 4.791 -0.392 1
1 207 . 12 1 1 A 21 21 SER C C 21 172.382 172.929 -0.547 1
1 208 . 12 1 1 A 21 21 SER CA C 21 57.063 56.544 0.519 1
1 209 . 12 1 1 A 21 21 SER CB C 21 65.417 65.618 -0.201 1
1 210 . 12 1 1 A 21 21 SER N N 21 115.006 114.527 0.479 1
1 211 . 12 1 1 A 22 22 VAL H H 22 8.493 8.656 -0.163 1
1 212 . 12 1 1 A 22 22 VAL HA H 22 4.961 4.463 0.498 1
1 220 . 12 1 1 A 22 22 VAL C C 22 176.199 175.486 0.713 1
1 221 . 12 1 1 A 22 22 VAL CA C 22 61.066 61.157 -0.091 1
1 222 . 12 1 1 A 22 22 VAL CB C 22 33.732 33.932 -0.200 1
1 225 . 12 1 1 A 22 22 VAL N N 22 124.080 124.151 -0.071 1
1 226 . 12 1 1 A 23 23 ASP H H 23 8.667 8.364 0.303 1
1 227 . 12 1 1 A 23 23 ASP HA H 23 4.688 4.797 -0.109 1
1 230 . 12 1 1 A 23 23 ASP C C 23 178.629 177.207 1.422 1
1 231 . 12 1 1 A 23 23 ASP CA C 23 52.814 52.284 0.530 1
1 232 . 12 1 1 A 23 23 ASP CB C 23 41.525 41.164 0.361 1
1 233 . 12 1 1 A 23 23 ASP N N 23 127.673 127.904 -0.231 1
1 234 . 12 1 1 A 24 24 LYS H H 24 8.242 8.449 -0.207 1
1 235 . 12 1 1 A 24 24 LYS HA H 24 4.077 3.867 0.210 1
1 244 . 12 1 1 A 24 24 LYS C C 24 177.637 178.600 -0.963 1
1 245 . 12 1 1 A 24 24 LYS CA C 24 58.419 60.097 -1.678 1
1 246 . 12 1 1 A 24 24 LYS CB C 24 32.057 32.243 -0.186 1
1 250 . 12 1 1 A 24 24 LYS N N 24 116.378 118.385 -2.007 1
1 251 . 12 1 1 A 25 25 LYS H H 25 8.128 7.654 0.474 1
1 252 . 12 1 1 A 25 25 LYS HA H 25 4.379 4.139 0.240 1
1 261 . 12 1 1 A 25 25 LYS C C 25 176.600 177.079 -0.479 1
1 262 . 12 1 1 A 25 25 LYS CA C 25 55.411 57.130 -1.719 1
1 263 . 12 1 1 A 25 25 LYS CB C 25 32.516 32.712 -0.196 1
1 267 . 12 1 1 A 25 25 LYS N N 25 118.184 118.241 -0.057 1
1 268 . 12 1 1 A 26 26 GLY H H 26 8.040 7.859 0.181 1
1 269 . 12 1 1 A 26 26 GLY HA2 H 26 4.125 3.985 0.140 1
1 270 . 12 1 1 A 26 26 GLY HA3 H 26 3.428 4.020 -0.592 1
1 271 . 12 1 1 A 26 26 GLY C C 26 174.048 174.551 -0.503 1
1 272 . 12 1 1 A 26 26 GLY CA C 26 45.235 45.508 -0.273 1
1 273 . 12 1 1 A 26 26 GLY N N 26 108.208 106.520 1.688 1
1 274 . 12 1 1 A 27 27 HIS H H 27 8.599 7.495 1.104 1
1 275 . 12 1 1 A 27 27 HIS HA H 27 4.491 4.442 0.049 1
1 279 . 12 1 1 A 27 27 HIS C C 27 174.516 174.478 0.038 1
1 280 . 12 1 1 A 27 27 HIS CA C 27 55.935 56.401 -0.466 1
1 281 . 12 1 1 A 27 27 HIS CB C 27 29.257 30.191 -0.934 1
1 283 . 12 1 1 A 27 27 HIS N N 27 123.031 118.533 4.498 1
1 284 . 12 1 1 A 28 28 VAL H H 28 8.330 8.219 0.111 1
1 285 . 12 1 1 A 28 28 VAL HA H 28 4.776 3.903 0.873 1
1 293 . 12 1 1 A 28 28 VAL C C 28 174.798 175.803 -1.005 1
1 294 . 12 1 1 A 28 28 VAL CA C 28 62.070 63.783 -1.713 1
1 295 . 12 1 1 A 28 28 VAL CB C 28 32.965 31.884 1.081 1
1 298 . 12 1 1 A 28 28 VAL N N 28 127.641 124.933 2.708 1
1 299 . 12 1 1 A 29 29 HIS H H 29 8.887 9.469 -0.582 1
1 300 . 12 1 1 A 29 29 HIS HA H 29 5.071 5.313 -0.242 1
1 305 . 12 1 1 A 29 29 HIS C C 29 173.998 174.155 -0.157 1
1 306 . 12 1 1 A 29 29 HIS CA C 29 54.841 54.242 0.599 1
1 307 . 12 1 1 A 29 29 HIS CB C 29 33.921 32.946 0.975 1
1 310 . 12 1 1 A 29 29 HIS N N 29 124.946 126.134 -1.188 1
1 311 . 12 1 1 A 30 30 TYR H H 30 9.630 9.641 -0.011 1
1 312 . 12 1 1 A 30 30 TYR HA H 30 5.092 5.162 -0.070 1
1 319 . 12 1 1 A 30 30 TYR C C 30 173.451 174.534 -1.083 1
1 320 . 12 1 1 A 30 30 TYR CA C 30 57.627 56.399 1.228 1
1 321 . 12 1 1 A 30 30 TYR CB C 30 41.124 40.995 0.129 1
1 326 . 12 1 1 A 30 30 TYR N N 30 119.246 120.455 -1.209 1
1 327 . 12 1 1 A 31 31 LEU H H 31 7.804 8.578 -0.774 1
1 328 . 12 1 1 A 31 31 LEU HA H 31 3.561 3.324 0.237 1
1 338 . 12 1 1 A 31 31 LEU C C 31 173.742 174.372 -0.630 1
1 339 . 12 1 1 A 31 31 LEU CA C 31 53.120 53.900 -0.780 1
1 340 . 12 1 1 A 31 31 LEU CB C 31 39.479 40.635 -1.156 1
1 344 . 12 1 1 A 31 31 LEU N N 31 125.982 126.163 -0.181 1
1 345 . 12 1 1 A 32 32 ILE H H 32 8.861 8.054 0.807 1
1 346 . 12 1 1 A 32 32 ILE HA H 32 3.402 3.787 -0.385 1
1 356 . 12 1 1 A 32 32 ILE C C 32 173.769 174.468 -0.699 1
1 357 . 12 1 1 A 32 32 ILE CA C 32 61.356 61.121 0.235 1
1 358 . 12 1 1 A 32 32 ILE CB C 32 39.405 37.176 2.229 1
1 362 . 12 1 1 A 32 32 ILE N N 32 129.827 126.985 2.842 1
1 363 . 12 1 1 A 33 33 LYS H H 33 7.951 8.497 -0.546 1
1 364 . 12 1 1 A 33 33 LYS HA H 33 4.111 4.456 -0.345 1
1 373 . 12 1 1 A 33 33 LYS C C 33 174.920 175.002 -0.082 1
1 374 . 12 1 1 A 33 33 LYS CA C 33 54.849 54.503 0.346 1
1 375 . 12 1 1 A 33 33 LYS CB C 33 33.162 33.446 -0.284 1
1 379 . 12 1 1 A 33 33 LYS N N 33 124.612 127.423 -2.811 1
1 380 . 12 1 1 A 34 34 TRP H H 34 8.145 8.247 -0.102 1
1 381 . 12 1 1 A 34 34 TRP HA H 34 4.690 4.487 0.203 1
1 390 . 12 1 1 A 34 34 TRP C C 34 177.144 177.178 -0.034 1
1 391 . 12 1 1 A 34 34 TRP CA C 34 55.582 58.419 -2.837 1
1 392 . 12 1 1 A 34 34 TRP CB C 34 30.832 29.531 1.301 1
1 398 . 12 1 1 A 34 34 TRP N N 34 132.766 127.664 5.102 1
1 400 . 12 1 1 A 35 35 ARG H H 35 9.199 8.686 0.513 1
1 401 . 12 1 1 A 35 35 ARG HA H 35 3.742 4.251 -0.509 1
1 408 . 12 1 1 A 35 35 ARG C C 35 176.307 177.732 -1.425 1
1 409 . 12 1 1 A 35 35 ARG CA C 35 58.738 59.991 -1.253 1
1 410 . 12 1 1 A 35 35 ARG CB C 35 30.254 30.299 -0.045 1
1 413 . 12 1 1 A 35 35 ARG N N 35 124.433 126.417 -1.984 1
1 414 . 12 1 1 A 36 36 ASP H H 36 8.812 8.547 0.265 1
1 415 . 12 1 1 A 36 36 ASP HA H 36 4.294 4.534 -0.240 1
1 418 . 12 1 1 A 36 36 ASP C C 36 174.269 177.154 -2.885 1
1 419 . 12 1 1 A 36 36 ASP CA C 36 55.948 57.139 -1.191 1
1 420 . 12 1 1 A 36 36 ASP CB C 36 39.960 40.639 -0.679 1
1 421 . 12 1 1 A 36 36 ASP N N 36 115.622 118.977 -3.355 1
1 422 . 12 1 1 A 37 37 LEU H H 37 7.372 7.986 -0.614 1
1 423 . 12 1 1 A 37 37 LEU HA H 37 4.966 4.507 0.459 1
1 433 . 12 1 1 A 37 37 LEU C C 37 174.638 174.803 -0.165 1
1 434 . 12 1 1 A 37 37 LEU CA C 37 51.968 53.666 -1.698 1
1 435 . 12 1 1 A 37 37 LEU CB C 37 44.421 41.320 3.101 1
1 439 . 12 1 1 A 37 37 LEU N N 37 119.137 122.190 -3.053 1
1 440 . 12 1 1 A 38 38 PRO HA H 38 4.559 4.622 -0.063 1
1 447 . 12 1 1 A 38 38 PRO C C 38 178.256 176.298 1.958 1
1 448 . 12 1 1 A 38 38 PRO CA C 38 62.332 62.394 -0.062 1
1 449 . 12 1 1 A 38 38 PRO CB C 38 33.232 33.352 -0.120 1
1 452 . 12 1 1 A 39 39 TYR H H 39 8.933 8.871 0.062 1
1 453 . 12 1 1 A 39 39 TYR HA H 39 3.758 4.185 -0.427 1
1 460 . 12 1 1 A 39 39 TYR C C 39 177.241 177.783 -0.542 1
1 461 . 12 1 1 A 39 39 TYR CA C 39 62.934 60.807 2.127 1
1 462 . 12 1 1 A 39 39 TYR CB C 39 38.451 39.043 -0.592 1
1 467 . 12 1 1 A 39 39 TYR N N 39 122.113 121.581 0.532 1
1 468 . 12 1 1 A 40 40 ASP H H 40 8.439 8.137 0.302 1
1 469 . 12 1 1 A 40 40 ASP HA H 40 4.407 4.515 -0.108 1
1 472 . 12 1 1 A 40 40 ASP C C 40 176.645 177.211 -0.566 1
1 473 . 12 1 1 A 40 40 ASP CA C 40 55.335 55.487 -0.152 1
1 474 . 12 1 1 A 40 40 ASP CB C 40 39.476 40.885 -1.409 1
1 475 . 12 1 1 A 40 40 ASP N N 40 115.019 119.341 -4.322 1
1 476 . 12 1 1 A 41 41 GLN H H 41 7.761 7.719 0.042 1
1 477 . 12 1 1 A 41 41 GLN HA H 41 4.457 4.426 0.031 1
1 484 . 12 1 1 A 41 41 GLN C C 41 175.665 175.780 -0.115 1
1 485 . 12 1 1 A 41 41 GLN CA C 41 55.031 55.245 -0.214 1
1 486 . 12 1 1 A 41 41 GLN CB C 41 29.606 29.916 -0.310 1
1 488 . 12 1 1 A 41 41 GLN N N 41 117.630 116.981 0.649 1
1 490 . 12 1 1 A 42 42 ALA H H 42 7.379 7.306 0.073 1
1 491 . 12 1 1 A 42 42 ALA HA H 42 4.776 4.153 0.623 1
1 495 . 12 1 1 A 42 42 ALA C C 42 177.103 176.579 0.524 1
1 496 . 12 1 1 A 42 42 ALA CA C 42 53.572 52.646 0.926 1
1 497 . 12 1 1 A 42 42 ALA CB C 42 18.951 18.985 -0.034 1
1 498 . 12 1 1 A 42 42 ALA N N 42 123.425 123.868 -0.443 1
1 499 . 12 1 1 A 43 43 SER H H 43 8.521 7.932 0.589 1
1 500 . 12 1 1 A 43 43 SER HA H 43 4.861 5.111 -0.250 1
1 503 . 12 1 1 A 43 43 SER C C 43 172.947 172.886 0.061 1
1 504 . 12 1 1 A 43 43 SER CA C 43 56.852 56.534 0.318 1
1 505 . 12 1 1 A 43 43 SER CB C 43 66.734 65.602 1.132 1
1 506 . 12 1 1 A 43 43 SER N N 43 115.967 114.035 1.932 1
1 507 . 12 1 1 A 44 44 TRP H H 44 8.699 8.824 -0.125 1
1 508 . 12 1 1 A 44 44 TRP HA H 44 5.081 4.916 0.165 1
1 517 . 12 1 1 A 44 44 TRP C C 44 177.207 176.288 0.919 1
1 518 . 12 1 1 A 44 44 TRP CA C 44 56.648 57.201 -0.553 1
1 519 . 12 1 1 A 44 44 TRP CB C 44 29.592 31.050 -1.458 1
1 525 . 12 1 1 A 44 44 TRP N N 44 123.015 125.263 -2.248 1
1 527 . 12 1 1 A 45 45 GLU H H 45 9.773 8.905 0.868 1
1 528 . 12 1 1 A 45 45 GLU HA H 45 5.156 4.838 0.318 1
1 533 . 12 1 1 A 45 45 GLU C C 45 176.249 175.180 1.069 1
1 534 . 12 1 1 A 45 45 GLU CA C 45 53.378 54.797 -1.419 1
1 535 . 12 1 1 A 45 45 GLU CB C 45 31.950 33.251 -1.301 1
1 537 . 12 1 1 A 45 45 GLU N N 45 122.799 121.651 1.148 1
1 538 . 12 1 1 A 46 46 SER H H 46 9.121 8.575 0.546 1
1 539 . 12 1 1 A 46 46 SER HA H 46 4.106 4.543 -0.437 1
1 542 . 12 1 1 A 46 46 SER C C 46 178.218 176.168 2.050 1
1 543 . 12 1 1 A 46 46 SER CA C 46 58.791 58.138 0.653 1
1 544 . 12 1 1 A 46 46 SER CB C 46 63.100 63.788 -0.688 1
1 545 . 12 1 1 A 46 46 SER N N 46 116.892 119.750 -2.858 1
1 546 . 12 1 1 A 47 47 GLU H H 47 8.588 9.181 -0.593 1
1 547 . 12 1 1 A 47 47 GLU HA H 47 4.327 4.668 -0.341 1
1 552 . 12 1 1 A 47 47 GLU C C 47 174.707 177.408 -2.701 1
1 553 . 12 1 1 A 47 47 GLU CA C 47 58.693 58.135 0.558 1
1 554 . 12 1 1 A 47 47 GLU CB C 47 29.990 28.844 1.146 1
1 556 . 12 1 1 A 47 47 GLU N N 47 125.534 123.907 1.627 1
1 557 . 12 1 1 A 48 48 ASP H H 48 8.415 8.044 0.371 1
1 558 . 12 1 1 A 48 48 ASP HA H 48 4.847 4.875 -0.028 1
1 561 . 12 1 1 A 48 48 ASP C C 48 176.853 176.117 0.736 1
1 562 . 12 1 1 A 48 48 ASP CA C 48 54.472 55.978 -1.506 1
1 563 . 12 1 1 A 48 48 ASP CB C 48 41.795 41.754 0.041 1
1 564 . 12 1 1 A 48 48 ASP N N 48 117.812 120.047 -2.235 1
1 565 . 12 1 1 A 49 49 VAL H H 49 7.192 7.553 -0.361 1
1 566 . 12 1 1 A 49 49 VAL HA H 49 4.137 4.032 0.105 1
1 574 . 12 1 1 A 49 49 VAL C C 49 175.326 175.732 -0.406 1
1 575 . 12 1 1 A 49 49 VAL CA C 49 62.987 62.270 0.717 1
1 576 . 12 1 1 A 49 49 VAL CB C 49 32.759 32.203 0.556 1
1 579 . 12 1 1 A 49 49 VAL N N 49 118.329 116.259 2.070 1
1 580 . 12 1 1 A 50 50 GLU H H 50 8.417 8.525 -0.108 1
1 581 . 12 1 1 A 50 50 GLU HA H 50 4.526 4.849 -0.323 1
1 586 . 12 1 1 A 50 50 GLU C C 50 175.395 175.885 -0.490 1
1 587 . 12 1 1 A 50 50 GLU CA C 50 56.376 55.530 0.846 1
1 588 . 12 1 1 A 50 50 GLU CB C 50 29.216 30.525 -1.309 1
1 590 . 12 1 1 A 50 50 GLU N N 50 124.475 124.201 0.274 1
1 591 . 12 1 1 A 51 51 ILE H H 51 7.483 8.527 -1.044 1
1 592 . 12 1 1 A 51 51 ILE HA H 51 4.068 4.658 -0.590 1
1 602 . 12 1 1 A 51 51 ILE C C 51 175.838 175.138 0.700 1
1 603 . 12 1 1 A 51 51 ILE CA C 51 60.572 59.261 1.311 1
1 604 . 12 1 1 A 51 51 ILE CB C 51 41.701 41.394 0.307 1
1 608 . 12 1 1 A 51 51 ILE N N 51 125.565 125.737 -0.172 1
1 609 . 12 1 1 A 52 52 GLN H H 52 9.055 8.570 0.485 1
1 610 . 12 1 1 A 52 52 GLN HA H 52 4.042 3.903 0.139 1
1 617 . 12 1 1 A 52 52 GLN C C 52 176.011 176.348 -0.337 1
1 618 . 12 1 1 A 52 52 GLN CA C 52 58.264 57.605 0.659 1
1 619 . 12 1 1 A 52 52 GLN CB C 52 28.458 28.462 -0.004 1
1 621 . 12 1 1 A 52 52 GLN N N 52 130.354 125.053 5.301 1
1 623 . 12 1 1 A 53 53 ASP H H 53 9.244 9.546 -0.302 1
1 624 . 12 1 1 A 53 53 ASP HA H 53 4.529 4.352 0.177 1
1 627 . 12 1 1 A 53 53 ASP C C 53 176.419 175.905 0.514 1
1 628 . 12 1 1 A 53 53 ASP CA C 53 56.605 55.502 1.103 1
1 629 . 12 1 1 A 53 53 ASP CB C 53 39.788 39.008 0.780 1
1 630 . 12 1 1 A 53 53 ASP N N 53 119.289 122.138 -2.849 1
1 631 . 12 1 1 A 54 54 TYR H H 54 7.920 8.467 -0.547 1
1 632 . 12 1 1 A 54 54 TYR HA H 54 4.388 4.409 -0.021 1
1 639 . 12 1 1 A 54 54 TYR C C 54 178.807 177.104 1.703 1
1 640 . 12 1 1 A 54 54 TYR CA C 54 57.557 61.103 -3.546 1
1 641 . 12 1 1 A 54 54 TYR CB C 54 37.745 38.573 -0.828 1
1 646 . 12 1 1 A 54 54 TYR N N 54 120.852 119.326 1.526 1
1 647 . 12 1 1 A 55 55 ASP H H 55 8.942 8.382 0.560 1
1 648 . 12 1 1 A 55 55 ASP HA H 55 4.155 4.099 0.056 1
1 651 . 12 1 1 A 55 55 ASP C C 55 178.492 178.380 0.112 1
1 652 . 12 1 1 A 55 55 ASP CA C 55 57.839 57.441 0.398 1
1 653 . 12 1 1 A 55 55 ASP CB C 55 39.955 41.298 -1.343 1
1 654 . 12 1 1 A 55 55 ASP N N 55 114.884 119.229 -4.345 1
1 655 . 12 1 1 A 56 56 LEU H H 56 7.585 8.324 -0.739 1
1 656 . 12 1 1 A 56 56 LEU HA H 56 3.968 3.923 0.045 1
1 666 . 12 1 1 A 56 56 LEU C C 56 180.237 179.051 1.186 1
1 667 . 12 1 1 A 56 56 LEU CA C 56 57.892 58.184 -0.292 1
1 668 . 12 1 1 A 56 56 LEU CB C 56 41.204 41.976 -0.772 1
1 672 . 12 1 1 A 56 56 LEU N N 56 121.328 119.898 1.430 1
1 673 . 12 1 1 A 57 57 PHE H H 57 7.735 8.143 -0.408 1
1 674 . 12 1 1 A 57 57 PHE HA H 57 4.182 4.167 0.015 1
1 682 . 12 1 1 A 57 57 PHE C C 57 179.437 178.148 1.289 1
1 683 . 12 1 1 A 57 57 PHE CA C 57 62.756 60.982 1.774 1
1 684 . 12 1 1 A 57 57 PHE CB C 57 38.803 38.815 -0.012 1
1 690 . 12 1 1 A 57 57 PHE N N 57 118.200 117.233 0.967 1
1 691 . 12 1 1 A 58 58 LYS H H 58 8.834 7.844 0.990 1
1 692 . 12 1 1 A 58 58 LYS HA H 58 3.515 3.477 0.038 1
1 701 . 12 1 1 A 58 58 LYS C C 58 177.565 179.031 -1.466 1
1 702 . 12 1 1 A 58 58 LYS CA C 58 60.851 59.344 1.507 1
1 703 . 12 1 1 A 58 58 LYS CB C 58 33.102 31.683 1.419 1
1 707 . 12 1 1 A 58 58 LYS N N 58 123.283 118.094 5.189 1
1 708 . 12 1 1 A 59 59 GLN H H 59 7.955 8.329 -0.374 1
1 709 . 12 1 1 A 59 59 GLN HA H 59 4.104 4.184 -0.080 1
1 716 . 12 1 1 A 59 59 GLN C C 59 178.948 178.087 0.861 1
1 717 . 12 1 1 A 59 59 GLN CA C 59 59.249 58.730 0.519 1
1 718 . 12 1 1 A 59 59 GLN CB C 59 28.185 28.579 -0.394 1
1 720 . 12 1 1 A 59 59 GLN N N 59 117.353 119.861 -2.508 1
1 722 . 12 1 1 A 60 60 SER H H 60 7.821 7.917 -0.096 1
1 723 . 12 1 1 A 60 60 SER HA H 60 4.233 4.006 0.227 1
1 726 . 12 1 1 A 60 60 SER C C 60 176.403 176.385 0.018 1
1 727 . 12 1 1 A 60 60 SER CA C 60 60.954 61.597 -0.643 1
1 728 . 12 1 1 A 60 60 SER CB C 60 63.007 63.104 -0.097 1
1 729 . 12 1 1 A 60 60 SER N N 60 112.660 114.257 -1.597 1
1 730 . 12 1 1 A 61 61 TYR H H 61 7.858 8.470 -0.612 1
1 731 . 12 1 1 A 61 61 TYR HA H 61 4.084 4.095 -0.011 1
1 734 . 12 1 1 A 61 61 TYR C C 61 177.358 177.465 -0.107 1
1 735 . 12 1 1 A 61 61 TYR CA C 61 61.217 61.845 -0.628 1
1 736 . 12 1 1 A 61 61 TYR CB C 61 38.470 38.299 0.171 1
1 739 . 12 1 1 A 61 61 TYR N N 61 122.550 121.992 0.558 1
1 740 . 12 1 1 A 62 62 TRP H H 62 7.754 7.688 0.066 1
1 741 . 12 1 1 A 62 62 TRP HA H 62 4.273 4.211 0.062 1
1 750 . 12 1 1 A 62 62 TRP C C 62 176.694 178.831 -2.137 1
1 751 . 12 1 1 A 62 62 TRP CA C 62 58.061 60.398 -2.337 1
1 752 . 12 1 1 A 62 62 TRP CB C 62 30.047 29.398 0.649 1
1 758 . 12 1 1 A 62 62 TRP N N 62 116.320 119.741 -3.421 1
1 760 . 12 1 1 A 63 63 ASN H H 63 7.800 8.237 -0.437 1
1 761 . 12 1 1 A 63 63 ASN HA H 63 4.688 4.321 0.367 1
1 766 . 12 1 1 A 63 63 ASN C C 63 174.055 177.707 -3.652 1
1 767 . 12 1 1 A 63 63 ASN CA C 63 53.484 56.294 -2.810 1
1 768 . 12 1 1 A 63 63 ASN CB C 63 38.645 37.812 0.833 1
1 769 . 12 1 1 A 63 63 ASN N N 63 117.543 117.445 0.098 1
1 1 . 13 1 1 A 6 6 SER HA H 6 4.447 4.766 -0.319 1
1 3 . 13 1 1 A 6 6 SER C C 6 174.919 173.605 1.314 1
1 4 . 13 1 1 A 6 6 SER CA C 6 58.632 57.522 1.110 1
1 5 . 13 1 1 A 6 6 SER CB C 6 63.826 63.466 0.360 1
1 6 . 13 1 1 A 7 7 GLY H H 7 8.381 7.611 0.770 1
1 7 . 13 1 1 A 7 7 GLY HA2 H 7 3.956 4.087 -0.131 1
1 8 . 13 1 1 A 7 7 GLY HA3 H 7 3.907 4.088 -0.181 1
1 9 . 13 1 1 A 7 7 GLY C C 7 173.610 171.955 1.655 1
1 10 . 13 1 1 A 7 7 GLY CA C 7 45.128 45.859 -0.731 1
1 11 . 13 1 1 A 7 7 GLY N N 7 110.672 108.966 1.706 1
1 12 . 13 1 1 A 8 8 LYS H H 8 7.989 8.575 -0.586 1
1 13 . 13 1 1 A 8 8 LYS HA H 8 4.430 4.370 0.060 1
1 22 . 13 1 1 A 8 8 LYS C C 8 174.322 174.619 -0.297 1
1 23 . 13 1 1 A 8 8 LYS CA C 8 53.436 55.106 -1.670 1
1 24 . 13 1 1 A 8 8 LYS CB C 8 31.892 31.668 0.224 1
1 28 . 13 1 1 A 8 8 LYS N N 8 121.270 121.883 -0.613 1
1 29 . 13 1 1 A 9 9 PRO HA H 9 4.131 4.598 -0.467 1
1 36 . 13 1 1 A 9 9 PRO C C 9 177.331 176.075 1.256 1
1 37 . 13 1 1 A 9 9 PRO CA C 9 62.970 62.562 0.408 1
1 38 . 13 1 1 A 9 9 PRO CB C 9 31.894 33.085 -1.191 1
1 41 . 13 1 1 A 10 10 GLU H H 10 8.649 8.321 0.328 1
1 42 . 13 1 1 A 10 10 GLU HA H 10 3.960 4.222 -0.262 1
1 47 . 13 1 1 A 10 10 GLU C C 10 175.849 178.721 -2.872 1
1 48 . 13 1 1 A 10 10 GLU CA C 10 58.051 58.252 -0.201 1
1 49 . 13 1 1 A 10 10 GLU CB C 10 29.627 30.790 -1.163 1
1 51 . 13 1 1 A 10 10 GLU N N 10 120.707 119.272 1.435 1
1 52 . 13 1 1 A 11 11 TRP H H 11 7.131 8.287 -1.156 1
1 53 . 13 1 1 A 11 11 TRP HA H 11 4.548 4.496 0.052 1
1 62 . 13 1 1 A 11 11 TRP C C 11 176.362 176.797 -0.435 1
1 63 . 13 1 1 A 11 11 TRP CA C 11 55.758 60.077 -4.319 1
1 64 . 13 1 1 A 11 11 TRP CB C 11 29.285 28.079 1.206 1
1 70 . 13 1 1 A 11 11 TRP N N 11 115.904 119.357 -3.453 1
1 72 . 13 1 1 A 12 12 MET H H 12 7.289 6.909 0.380 1
1 73 . 13 1 1 A 12 12 MET HA H 12 4.054 3.926 0.128 1
1 81 . 13 1 1 A 12 12 MET C C 12 174.357 175.965 -1.608 1
1 82 . 13 1 1 A 12 12 MET CA C 12 55.900 54.775 1.125 1
1 83 . 13 1 1 A 12 12 MET CB C 12 31.808 31.628 0.180 1
1 86 . 13 1 1 A 12 12 MET N N 12 122.155 120.888 1.267 1
1 87 . 13 1 1 A 13 13 MET H H 13 8.569 8.981 -0.412 1
1 88 . 13 1 1 A 13 13 MET HA H 13 4.890 5.274 -0.384 1
1 96 . 13 1 1 A 13 13 MET C C 13 175.898 174.450 1.448 1
1 97 . 13 1 1 A 13 13 MET CA C 13 53.784 53.978 -0.194 1
1 98 . 13 1 1 A 13 13 MET CB C 13 35.100 37.686 -2.586 1
1 101 . 13 1 1 A 13 13 MET N N 13 121.084 121.428 -0.344 1
1 102 . 13 1 1 A 14 14 ILE H H 14 9.144 8.656 0.488 1
1 103 . 13 1 1 A 14 14 ILE HA H 14 2.912 4.378 -1.466 1
1 113 . 13 1 1 A 14 14 ILE C C 14 174.810 175.993 -1.183 1
1 114 . 13 1 1 A 14 14 ILE CA C 14 63.803 60.233 3.570 1
1 115 . 13 1 1 A 14 14 ILE CB C 14 38.974 38.821 0.153 1
1 119 . 13 1 1 A 14 14 ILE N N 14 125.919 120.238 5.681 1
1 120 . 13 1 1 A 15 15 HIS H H 15 8.926 8.675 0.251 1
1 121 . 13 1 1 A 15 15 HIS HA H 15 4.690 4.367 0.323 1
1 125 . 13 1 1 A 15 15 HIS C C 15 174.715 175.000 -0.285 1
1 126 . 13 1 1 A 15 15 HIS CA C 15 55.829 59.690 -3.861 1
1 127 . 13 1 1 A 15 15 HIS CB C 15 33.853 30.539 3.314 1
1 129 . 13 1 1 A 15 15 HIS N N 15 125.470 128.226 -2.756 1
1 130 . 13 1 1 A 16 16 ARG H H 16 7.529 7.616 -0.087 1
1 131 . 13 1 1 A 16 16 ARG HA H 16 4.193 4.926 -0.733 1
1 138 . 13 1 1 A 16 16 ARG C C 16 173.315 174.514 -1.199 1
1 139 . 13 1 1 A 16 16 ARG CA C 16 55.329 55.446 -0.117 1
1 140 . 13 1 1 A 16 16 ARG CB C 16 33.252 32.822 0.430 1
1 143 . 13 1 1 A 16 16 ARG N N 16 111.315 114.168 -2.853 1
1 144 . 13 1 1 A 17 17 ILE H H 17 8.396 9.008 -0.612 1
1 145 . 13 1 1 A 17 17 ILE HA H 17 4.052 3.985 0.067 1
1 155 . 13 1 1 A 17 17 ILE C C 17 175.341 175.360 -0.019 1
1 156 . 13 1 1 A 17 17 ILE CA C 17 61.859 61.602 0.257 1
1 157 . 13 1 1 A 17 17 ILE CB C 17 37.952 36.803 1.149 1
1 161 . 13 1 1 A 17 17 ILE N N 17 121.157 123.879 -2.722 1
1 162 . 13 1 1 A 18 18 LEU H H 18 9.102 8.646 0.456 1
1 163 . 13 1 1 A 18 18 LEU HA H 18 4.253 4.062 0.191 1
1 173 . 13 1 1 A 18 18 LEU C C 18 176.622 176.497 0.125 1
1 174 . 13 1 1 A 18 18 LEU CA C 18 55.422 57.013 -1.591 1
1 175 . 13 1 1 A 18 18 LEU CB C 18 43.410 42.189 1.221 1
1 179 . 13 1 1 A 18 18 LEU N N 18 124.326 129.790 -5.464 1
1 180 . 13 1 1 A 19 19 ASN H H 19 7.343 7.434 -0.091 1
1 181 . 13 1 1 A 19 19 ASN HA H 19 5.227 5.091 0.136 1
1 186 . 13 1 1 A 19 19 ASN C C 19 172.527 173.334 -0.807 1
1 187 . 13 1 1 A 19 19 ASN CA C 19 51.140 52.331 -1.191 1
1 188 . 13 1 1 A 19 19 ASN CB C 19 40.795 41.697 -0.902 1
1 189 . 13 1 1 A 19 19 ASN N N 19 113.895 112.031 1.864 1
1 191 . 13 1 1 A 20 20 HIS H H 20 8.816 8.862 -0.046 1
1 192 . 13 1 1 A 20 20 HIS HA H 20 5.875 6.003 -0.128 1
1 197 . 13 1 1 A 20 20 HIS C C 20 173.013 172.476 0.537 1
1 198 . 13 1 1 A 20 20 HIS CA C 20 55.932 54.406 1.526 1
1 199 . 13 1 1 A 20 20 HIS CB C 20 35.190 33.739 1.451 1
1 202 . 13 1 1 A 20 20 HIS N N 20 118.537 116.657 1.880 1
1 203 . 13 1 1 A 21 21 SER H H 21 9.203 8.790 0.413 1
1 204 . 13 1 1 A 21 21 SER HA H 21 4.399 4.655 -0.256 1
1 207 . 13 1 1 A 21 21 SER C C 21 172.382 172.702 -0.320 1
1 208 . 13 1 1 A 21 21 SER CA C 21 57.063 56.605 0.458 1
1 209 . 13 1 1 A 21 21 SER CB C 21 65.417 65.857 -0.440 1
1 210 . 13 1 1 A 21 21 SER N N 21 115.006 114.366 0.640 1
1 211 . 13 1 1 A 22 22 VAL H H 22 8.493 8.881 -0.388 1
1 212 . 13 1 1 A 22 22 VAL HA H 22 4.961 4.454 0.507 1
1 220 . 13 1 1 A 22 22 VAL C C 22 176.199 175.302 0.897 1
1 221 . 13 1 1 A 22 22 VAL CA C 22 61.066 61.383 -0.317 1
1 222 . 13 1 1 A 22 22 VAL CB C 22 33.732 31.465 2.267 1
1 225 . 13 1 1 A 22 22 VAL N N 22 124.080 126.789 -2.709 1
1 226 . 13 1 1 A 23 23 ASP H H 23 8.667 7.955 0.712 1
1 227 . 13 1 1 A 23 23 ASP HA H 23 4.688 4.503 0.185 1
1 230 . 13 1 1 A 23 23 ASP C C 23 178.629 176.318 2.311 1
1 231 . 13 1 1 A 23 23 ASP CA C 23 52.814 53.332 -0.518 1
1 232 . 13 1 1 A 23 23 ASP CB C 23 41.525 41.771 -0.246 1
1 233 . 13 1 1 A 23 23 ASP N N 23 127.673 128.512 -0.839 1
1 234 . 13 1 1 A 24 24 LYS H H 24 8.242 8.891 -0.649 1
1 235 . 13 1 1 A 24 24 LYS HA H 24 4.077 3.865 0.212 1
1 244 . 13 1 1 A 24 24 LYS C C 24 177.637 177.886 -0.249 1
1 245 . 13 1 1 A 24 24 LYS CA C 24 58.419 60.251 -1.832 1
1 246 . 13 1 1 A 24 24 LYS CB C 24 32.057 32.092 -0.035 1
1 250 . 13 1 1 A 24 24 LYS N N 24 116.378 120.957 -4.579 1
1 251 . 13 1 1 A 25 25 LYS H H 25 8.128 7.616 0.512 1
1 252 . 13 1 1 A 25 25 LYS HA H 25 4.379 4.122 0.257 1
1 261 . 13 1 1 A 25 25 LYS C C 25 176.600 176.484 0.116 1
1 262 . 13 1 1 A 25 25 LYS CA C 25 55.411 57.258 -1.847 1
1 263 . 13 1 1 A 25 25 LYS CB C 25 32.516 32.706 -0.190 1
1 267 . 13 1 1 A 25 25 LYS N N 25 118.184 117.330 0.854 1
1 268 . 13 1 1 A 26 26 GLY H H 26 8.040 7.772 0.268 1
1 269 . 13 1 1 A 26 26 GLY HA2 H 26 4.125 4.027 0.098 1
1 270 . 13 1 1 A 26 26 GLY HA3 H 26 3.428 4.058 -0.630 1
1 271 . 13 1 1 A 26 26 GLY C C 26 174.048 174.733 -0.685 1
1 272 . 13 1 1 A 26 26 GLY CA C 26 45.235 45.242 -0.007 1
1 273 . 13 1 1 A 26 26 GLY N N 26 108.208 105.817 2.391 1
1 274 . 13 1 1 A 27 27 HIS H H 27 8.599 7.972 0.627 1
1 275 . 13 1 1 A 27 27 HIS HA H 27 4.491 4.437 0.054 1
1 279 . 13 1 1 A 27 27 HIS C C 27 174.516 174.576 -0.060 1
1 280 . 13 1 1 A 27 27 HIS CA C 27 55.935 57.334 -1.399 1
1 281 . 13 1 1 A 27 27 HIS CB C 27 29.257 29.802 -0.545 1
1 283 . 13 1 1 A 27 27 HIS N N 27 123.031 119.295 3.736 1
1 284 . 13 1 1 A 28 28 VAL H H 28 8.330 8.569 -0.239 1
1 285 . 13 1 1 A 28 28 VAL HA H 28 4.776 3.939 0.837 1
1 293 . 13 1 1 A 28 28 VAL C C 28 174.798 175.716 -0.918 1
1 294 . 13 1 1 A 28 28 VAL CA C 28 62.070 63.433 -1.363 1
1 295 . 13 1 1 A 28 28 VAL CB C 28 32.965 31.979 0.986 1
1 298 . 13 1 1 A 28 28 VAL N N 28 127.641 124.987 2.654 1
1 299 . 13 1 1 A 29 29 HIS H H 29 8.887 9.228 -0.341 1
1 300 . 13 1 1 A 29 29 HIS HA H 29 5.071 5.402 -0.331 1
1 305 . 13 1 1 A 29 29 HIS C C 29 173.998 174.217 -0.219 1
1 306 . 13 1 1 A 29 29 HIS CA C 29 54.841 53.729 1.112 1
1 307 . 13 1 1 A 29 29 HIS CB C 29 33.921 32.923 0.998 1
1 310 . 13 1 1 A 29 29 HIS N N 29 124.946 126.529 -1.583 1
1 311 . 13 1 1 A 30 30 TYR H H 30 9.630 9.094 0.536 1
1 312 . 13 1 1 A 30 30 TYR HA H 30 5.092 5.166 -0.074 1
1 319 . 13 1 1 A 30 30 TYR C C 30 173.451 174.692 -1.241 1
1 320 . 13 1 1 A 30 30 TYR CA C 30 57.627 56.441 1.186 1
1 321 . 13 1 1 A 30 30 TYR CB C 30 41.124 40.837 0.287 1
1 326 . 13 1 1 A 30 30 TYR N N 30 119.246 120.933 -1.687 1
1 327 . 13 1 1 A 31 31 LEU H H 31 7.804 8.778 -0.974 1
1 328 . 13 1 1 A 31 31 LEU HA H 31 3.561 3.561 0.000 1
1 338 . 13 1 1 A 31 31 LEU C C 31 173.742 174.419 -0.677 1
1 339 . 13 1 1 A 31 31 LEU CA C 31 53.120 54.214 -1.094 1
1 340 . 13 1 1 A 31 31 LEU CB C 31 39.479 40.896 -1.417 1
1 344 . 13 1 1 A 31 31 LEU N N 31 125.982 126.401 -0.419 1
1 345 . 13 1 1 A 32 32 ILE H H 32 8.861 8.183 0.678 1
1 346 . 13 1 1 A 32 32 ILE HA H 32 3.402 4.021 -0.619 1
1 356 . 13 1 1 A 32 32 ILE C C 32 173.769 174.260 -0.491 1
1 357 . 13 1 1 A 32 32 ILE CA C 32 61.356 60.610 0.746 1
1 358 . 13 1 1 A 32 32 ILE CB C 32 39.405 37.608 1.797 1
1 362 . 13 1 1 A 32 32 ILE N N 32 129.827 127.610 2.217 1
1 363 . 13 1 1 A 33 33 LYS H H 33 7.951 8.526 -0.575 1
1 364 . 13 1 1 A 33 33 LYS HA H 33 4.111 4.456 -0.345 1
1 373 . 13 1 1 A 33 33 LYS C C 33 174.920 175.028 -0.108 1
1 374 . 13 1 1 A 33 33 LYS CA C 33 54.849 54.587 0.262 1
1 375 . 13 1 1 A 33 33 LYS CB C 33 33.162 33.374 -0.212 1
1 379 . 13 1 1 A 33 33 LYS N N 33 124.612 127.380 -2.768 1
1 380 . 13 1 1 A 34 34 TRP H H 34 8.145 8.311 -0.166 1
1 381 . 13 1 1 A 34 34 TRP HA H 34 4.690 4.505 0.185 1
1 390 . 13 1 1 A 34 34 TRP C C 34 177.144 177.221 -0.077 1
1 391 . 13 1 1 A 34 34 TRP CA C 34 55.582 58.410 -2.828 1
1 392 . 13 1 1 A 34 34 TRP CB C 34 30.832 29.316 1.516 1
1 398 . 13 1 1 A 34 34 TRP N N 34 132.766 127.700 5.066 1
1 400 . 13 1 1 A 35 35 ARG H H 35 9.199 8.685 0.514 1
1 401 . 13 1 1 A 35 35 ARG HA H 35 3.742 4.204 -0.462 1
1 408 . 13 1 1 A 35 35 ARG C C 35 176.307 178.030 -1.723 1
1 409 . 13 1 1 A 35 35 ARG CA C 35 58.738 60.274 -1.536 1
1 410 . 13 1 1 A 35 35 ARG CB C 35 30.254 30.151 0.103 1
1 413 . 13 1 1 A 35 35 ARG N N 35 124.433 126.447 -2.014 1
1 414 . 13 1 1 A 36 36 ASP H H 36 8.812 8.390 0.422 1
1 415 . 13 1 1 A 36 36 ASP HA H 36 4.294 4.513 -0.219 1
1 418 . 13 1 1 A 36 36 ASP C C 36 174.269 176.328 -2.059 1
1 419 . 13 1 1 A 36 36 ASP CA C 36 55.948 57.736 -1.788 1
1 420 . 13 1 1 A 36 36 ASP CB C 36 39.960 41.998 -2.038 1
1 421 . 13 1 1 A 36 36 ASP N N 36 115.622 119.637 -4.015 1
1 422 . 13 1 1 A 37 37 LEU H H 37 7.372 8.231 -0.859 1
1 423 . 13 1 1 A 37 37 LEU HA H 37 4.966 4.576 0.390 1
1 433 . 13 1 1 A 37 37 LEU C C 37 174.638 174.901 -0.263 1
1 434 . 13 1 1 A 37 37 LEU CA C 37 51.968 52.817 -0.849 1
1 435 . 13 1 1 A 37 37 LEU CB C 37 44.421 41.892 2.529 1
1 439 . 13 1 1 A 37 37 LEU N N 37 119.137 119.636 -0.499 1
1 440 . 13 1 1 A 38 38 PRO HA H 38 4.559 4.663 -0.104 1
1 447 . 13 1 1 A 38 38 PRO C C 38 178.256 176.431 1.825 1
1 448 . 13 1 1 A 38 38 PRO CA C 38 62.332 62.423 -0.091 1
1 449 . 13 1 1 A 38 38 PRO CB C 38 33.232 33.384 -0.152 1
1 452 . 13 1 1 A 39 39 TYR H H 39 8.933 8.880 0.053 1
1 453 . 13 1 1 A 39 39 TYR HA H 39 3.758 4.130 -0.372 1
1 460 . 13 1 1 A 39 39 TYR C C 39 177.241 177.150 0.091 1
1 461 . 13 1 1 A 39 39 TYR CA C 39 62.934 61.012 1.922 1
1 462 . 13 1 1 A 39 39 TYR CB C 39 38.451 38.932 -0.481 1
1 467 . 13 1 1 A 39 39 TYR N N 39 122.113 121.675 0.438 1
1 468 . 13 1 1 A 40 40 ASP H H 40 8.439 8.412 0.027 1
1 469 . 13 1 1 A 40 40 ASP HA H 40 4.407 4.395 0.012 1
1 472 . 13 1 1 A 40 40 ASP C C 40 176.645 177.142 -0.497 1
1 473 . 13 1 1 A 40 40 ASP CA C 40 55.335 55.386 -0.051 1
1 474 . 13 1 1 A 40 40 ASP CB C 40 39.476 40.587 -1.111 1
1 475 . 13 1 1 A 40 40 ASP N N 40 115.019 118.816 -3.797 1
1 476 . 13 1 1 A 41 41 GLN H H 41 7.761 7.691 0.070 1
1 477 . 13 1 1 A 41 41 GLN HA H 41 4.457 4.462 -0.005 1
1 484 . 13 1 1 A 41 41 GLN C C 41 175.665 175.667 -0.002 1
1 485 . 13 1 1 A 41 41 GLN CA C 41 55.031 55.138 -0.107 1
1 486 . 13 1 1 A 41 41 GLN CB C 41 29.606 29.954 -0.348 1
1 488 . 13 1 1 A 41 41 GLN N N 41 117.630 116.796 0.834 1
1 490 . 13 1 1 A 42 42 ALA H H 42 7.379 7.291 0.088 1
1 491 . 13 1 1 A 42 42 ALA HA H 42 4.776 4.099 0.677 1
1 495 . 13 1 1 A 42 42 ALA C C 42 177.103 176.413 0.690 1
1 496 . 13 1 1 A 42 42 ALA CA C 42 53.572 52.852 0.720 1
1 497 . 13 1 1 A 42 42 ALA CB C 42 18.951 18.925 0.026 1
1 498 . 13 1 1 A 42 42 ALA N N 42 123.425 124.041 -0.616 1
1 499 . 13 1 1 A 43 43 SER H H 43 8.521 7.904 0.617 1
1 500 . 13 1 1 A 43 43 SER HA H 43 4.861 5.136 -0.275 1
1 503 . 13 1 1 A 43 43 SER C C 43 172.947 173.023 -0.076 1
1 504 . 13 1 1 A 43 43 SER CA C 43 56.852 56.050 0.802 1
1 505 . 13 1 1 A 43 43 SER CB C 43 66.734 65.950 0.784 1
1 506 . 13 1 1 A 43 43 SER N N 43 115.967 114.695 1.272 1
1 507 . 13 1 1 A 44 44 TRP H H 44 8.699 8.923 -0.224 1
1 508 . 13 1 1 A 44 44 TRP HA H 44 5.081 4.799 0.282 1
1 517 . 13 1 1 A 44 44 TRP C C 44 177.207 176.408 0.799 1
1 518 . 13 1 1 A 44 44 TRP CA C 44 56.648 57.699 -1.051 1
1 519 . 13 1 1 A 44 44 TRP CB C 44 29.592 30.035 -0.443 1
1 525 . 13 1 1 A 44 44 TRP N N 44 123.015 126.206 -3.191 1
1 527 . 13 1 1 A 45 45 GLU H H 45 9.773 8.722 1.051 1
1 528 . 13 1 1 A 45 45 GLU HA H 45 5.156 4.907 0.249 1
1 533 . 13 1 1 A 45 45 GLU C C 45 176.249 175.615 0.634 1
1 534 . 13 1 1 A 45 45 GLU CA C 45 53.378 54.691 -1.313 1
1 535 . 13 1 1 A 45 45 GLU CB C 45 31.950 32.142 -0.192 1
1 537 . 13 1 1 A 45 45 GLU N N 45 122.799 123.512 -0.713 1
1 538 . 13 1 1 A 46 46 SER H H 46 9.121 8.630 0.491 1
1 539 . 13 1 1 A 46 46 SER HA H 46 4.106 4.365 -0.259 1
1 542 . 13 1 1 A 46 46 SER C C 46 178.218 175.764 2.454 1
1 543 . 13 1 1 A 46 46 SER CA C 46 58.791 58.119 0.672 1
1 544 . 13 1 1 A 46 46 SER CB C 46 63.100 63.872 -0.772 1
1 545 . 13 1 1 A 46 46 SER N N 46 116.892 120.861 -3.969 1
1 546 . 13 1 1 A 47 47 GLU H H 47 8.588 8.491 0.097 1
1 547 . 13 1 1 A 47 47 GLU HA H 47 4.327 4.730 -0.403 1
1 552 . 13 1 1 A 47 47 GLU C C 47 174.707 177.262 -2.555 1
1 553 . 13 1 1 A 47 47 GLU CA C 47 58.693 56.722 1.971 1
1 554 . 13 1 1 A 47 47 GLU CB C 47 29.990 29.614 0.376 1
1 556 . 13 1 1 A 47 47 GLU N N 47 125.534 123.046 2.488 1
1 557 . 13 1 1 A 48 48 ASP H H 48 8.415 8.199 0.216 1
1 558 . 13 1 1 A 48 48 ASP HA H 48 4.847 4.835 0.012 1
1 561 . 13 1 1 A 48 48 ASP C C 48 176.853 176.085 0.768 1
1 562 . 13 1 1 A 48 48 ASP CA C 48 54.472 55.773 -1.301 1
1 563 . 13 1 1 A 48 48 ASP CB C 48 41.795 41.940 -0.145 1
1 564 . 13 1 1 A 48 48 ASP N N 48 117.812 120.216 -2.404 1
1 565 . 13 1 1 A 49 49 VAL H H 49 7.192 7.690 -0.498 1
1 566 . 13 1 1 A 49 49 VAL HA H 49 4.137 4.149 -0.012 1
1 574 . 13 1 1 A 49 49 VAL C C 49 175.326 175.523 -0.197 1
1 575 . 13 1 1 A 49 49 VAL CA C 49 62.987 62.205 0.782 1
1 576 . 13 1 1 A 49 49 VAL CB C 49 32.759 32.615 0.144 1
1 579 . 13 1 1 A 49 49 VAL N N 49 118.329 116.674 1.655 1
1 580 . 13 1 1 A 50 50 GLU H H 50 8.417 8.614 -0.197 1
1 581 . 13 1 1 A 50 50 GLU HA H 50 4.526 4.858 -0.332 1
1 586 . 13 1 1 A 50 50 GLU C C 50 175.395 175.905 -0.510 1
1 587 . 13 1 1 A 50 50 GLU CA C 50 56.376 55.703 0.673 1
1 588 . 13 1 1 A 50 50 GLU CB C 50 29.216 30.476 -1.260 1
1 590 . 13 1 1 A 50 50 GLU N N 50 124.475 123.740 0.735 1
1 591 . 13 1 1 A 51 51 ILE H H 51 7.483 8.661 -1.178 1
1 592 . 13 1 1 A 51 51 ILE HA H 51 4.068 4.590 -0.522 1
1 602 . 13 1 1 A 51 51 ILE C C 51 175.838 175.155 0.683 1
1 603 . 13 1 1 A 51 51 ILE CA C 51 60.572 59.210 1.362 1
1 604 . 13 1 1 A 51 51 ILE CB C 51 41.701 41.774 -0.073 1
1 608 . 13 1 1 A 51 51 ILE N N 51 125.565 125.596 -0.031 1
1 609 . 13 1 1 A 52 52 GLN H H 52 9.055 8.555 0.500 1
1 610 . 13 1 1 A 52 52 GLN HA H 52 4.042 3.906 0.136 1
1 617 . 13 1 1 A 52 52 GLN C C 52 176.011 176.289 -0.278 1
1 618 . 13 1 1 A 52 52 GLN CA C 52 58.264 57.683 0.581 1
1 619 . 13 1 1 A 52 52 GLN CB C 52 28.458 28.439 0.019 1
1 621 . 13 1 1 A 52 52 GLN N N 52 130.354 125.474 4.880 1
1 623 . 13 1 1 A 53 53 ASP H H 53 9.244 9.476 -0.232 1
1 624 . 13 1 1 A 53 53 ASP HA H 53 4.529 4.365 0.164 1
1 627 . 13 1 1 A 53 53 ASP C C 53 176.419 175.630 0.789 1
1 628 . 13 1 1 A 53 53 ASP CA C 53 56.605 55.501 1.104 1
1 629 . 13 1 1 A 53 53 ASP CB C 53 39.788 38.817 0.971 1
1 630 . 13 1 1 A 53 53 ASP N N 53 119.289 121.941 -2.652 1
1 631 . 13 1 1 A 54 54 TYR H H 54 7.920 8.267 -0.347 1
1 632 . 13 1 1 A 54 54 TYR HA H 54 4.388 4.321 0.067 1
1 639 . 13 1 1 A 54 54 TYR C C 54 178.807 177.533 1.274 1
1 640 . 13 1 1 A 54 54 TYR CA C 54 57.557 61.133 -3.576 1
1 641 . 13 1 1 A 54 54 TYR CB C 54 37.745 38.745 -1.000 1
1 646 . 13 1 1 A 54 54 TYR N N 54 120.852 119.312 1.540 1
1 647 . 13 1 1 A 55 55 ASP H H 55 8.942 8.141 0.801 1
1 648 . 13 1 1 A 55 55 ASP HA H 55 4.155 4.247 -0.092 1
1 651 . 13 1 1 A 55 55 ASP C C 55 178.492 178.999 -0.507 1
1 652 . 13 1 1 A 55 55 ASP CA C 55 57.839 57.252 0.587 1
1 653 . 13 1 1 A 55 55 ASP CB C 55 39.955 40.376 -0.421 1
1 654 . 13 1 1 A 55 55 ASP N N 55 114.884 120.216 -5.332 1
1 655 . 13 1 1 A 56 56 LEU H H 56 7.585 8.360 -0.775 1
1 656 . 13 1 1 A 56 56 LEU HA H 56 3.968 3.948 0.020 1
1 666 . 13 1 1 A 56 56 LEU C C 56 180.237 179.220 1.017 1
1 667 . 13 1 1 A 56 56 LEU CA C 56 57.892 58.277 -0.385 1
1 668 . 13 1 1 A 56 56 LEU CB C 56 41.204 41.861 -0.657 1
1 672 . 13 1 1 A 56 56 LEU N N 56 121.328 120.289 1.039 1
1 673 . 13 1 1 A 57 57 PHE H H 57 7.735 8.132 -0.397 1
1 674 . 13 1 1 A 57 57 PHE HA H 57 4.182 4.221 -0.039 1
1 682 . 13 1 1 A 57 57 PHE C C 57 179.437 178.262 1.175 1
1 683 . 13 1 1 A 57 57 PHE CA C 57 62.756 61.126 1.630 1
1 684 . 13 1 1 A 57 57 PHE CB C 57 38.803 39.090 -0.287 1
1 690 . 13 1 1 A 57 57 PHE N N 57 118.200 117.353 0.847 1
1 691 . 13 1 1 A 58 58 LYS H H 58 8.834 7.829 1.005 1
1 692 . 13 1 1 A 58 58 LYS HA H 58 3.515 3.685 -0.170 1
1 701 . 13 1 1 A 58 58 LYS C C 58 177.565 179.208 -1.643 1
1 702 . 13 1 1 A 58 58 LYS CA C 58 60.851 59.551 1.300 1
1 703 . 13 1 1 A 58 58 LYS CB C 58 33.102 32.003 1.099 1
1 707 . 13 1 1 A 58 58 LYS N N 58 123.283 117.944 5.339 1
1 708 . 13 1 1 A 59 59 GLN H H 59 7.955 8.474 -0.519 1
1 709 . 13 1 1 A 59 59 GLN HA H 59 4.104 4.188 -0.084 1
1 716 . 13 1 1 A 59 59 GLN C C 59 178.948 178.160 0.788 1
1 717 . 13 1 1 A 59 59 GLN CA C 59 59.249 58.985 0.264 1
1 718 . 13 1 1 A 59 59 GLN CB C 59 28.185 28.785 -0.600 1
1 720 . 13 1 1 A 59 59 GLN N N 59 117.353 120.175 -2.822 1
1 722 . 13 1 1 A 60 60 SER H H 60 7.821 7.831 -0.010 1
1 723 . 13 1 1 A 60 60 SER HA H 60 4.233 4.196 0.037 1
1 726 . 13 1 1 A 60 60 SER C C 60 176.403 176.380 0.023 1
1 727 . 13 1 1 A 60 60 SER CA C 60 60.954 61.758 -0.804 1
1 728 . 13 1 1 A 60 60 SER CB C 60 63.007 63.345 -0.338 1
1 729 . 13 1 1 A 60 60 SER N N 60 112.660 114.629 -1.969 1
1 730 . 13 1 1 A 61 61 TYR H H 61 7.858 8.536 -0.678 1
1 731 . 13 1 1 A 61 61 TYR HA H 61 4.084 4.077 0.007 1
1 734 . 13 1 1 A 61 61 TYR C C 61 177.358 177.477 -0.119 1
1 735 . 13 1 1 A 61 61 TYR CA C 61 61.217 62.041 -0.824 1
1 736 . 13 1 1 A 61 61 TYR CB C 61 38.470 38.410 0.060 1
1 739 . 13 1 1 A 61 61 TYR N N 61 122.550 122.240 0.310 1
1 740 . 13 1 1 A 62 62 TRP H H 62 7.754 7.843 -0.089 1
1 741 . 13 1 1 A 62 62 TRP HA H 62 4.273 4.335 -0.062 1
1 750 . 13 1 1 A 62 62 TRP C C 62 176.694 178.957 -2.263 1
1 751 . 13 1 1 A 62 62 TRP CA C 62 58.061 60.627 -2.566 1
1 752 . 13 1 1 A 62 62 TRP CB C 62 30.047 29.367 0.680 1
1 758 . 13 1 1 A 62 62 TRP N N 62 116.320 119.579 -3.259 1
1 760 . 13 1 1 A 63 63 ASN H H 63 7.800 8.396 -0.596 1
1 761 . 13 1 1 A 63 63 ASN HA H 63 4.688 4.556 0.132 1
1 766 . 13 1 1 A 63 63 ASN C C 63 174.055 177.000 -2.945 1
1 767 . 13 1 1 A 63 63 ASN CA C 63 53.484 56.157 -2.673 1
1 768 . 13 1 1 A 63 63 ASN CB C 63 38.645 38.645 0.000 1
1 769 . 13 1 1 A 63 63 ASN N N 63 117.543 117.625 -0.082 1
1 1 . 14 1 1 A 6 6 SER HA H 6 4.447 4.616 -0.169 1
1 3 . 14 1 1 A 6 6 SER C C 6 174.919 173.654 1.265 1
1 4 . 14 1 1 A 6 6 SER CA C 6 58.632 58.272 0.360 1
1 5 . 14 1 1 A 6 6 SER CB C 6 63.826 62.658 1.168 1
1 6 . 14 1 1 A 7 7 GLY H H 7 8.381 7.401 0.980 1
1 7 . 14 1 1 A 7 7 GLY HA2 H 7 3.956 4.032 -0.076 1
1 8 . 14 1 1 A 7 7 GLY HA3 H 7 3.907 4.033 -0.126 1
1 9 . 14 1 1 A 7 7 GLY C C 7 173.610 172.333 1.277 1
1 10 . 14 1 1 A 7 7 GLY CA C 7 45.128 44.276 0.852 1
1 11 . 14 1 1 A 7 7 GLY N N 7 110.672 108.672 2.000 1
1 12 . 14 1 1 A 8 8 LYS H H 8 7.989 8.186 -0.197 1
1 13 . 14 1 1 A 8 8 LYS HA H 8 4.430 4.822 -0.392 1
1 22 . 14 1 1 A 8 8 LYS C C 8 174.322 173.779 0.543 1
1 23 . 14 1 1 A 8 8 LYS CA C 8 53.436 53.038 0.398 1
1 24 . 14 1 1 A 8 8 LYS CB C 8 31.892 34.606 -2.714 1
1 28 . 14 1 1 A 8 8 LYS N N 8 121.270 118.482 2.788 1
1 29 . 14 1 1 A 9 9 PRO HA H 9 4.131 4.619 -0.488 1
1 36 . 14 1 1 A 9 9 PRO C C 9 177.331 176.693 0.638 1
1 37 . 14 1 1 A 9 9 PRO CA C 9 62.970 62.574 0.396 1
1 38 . 14 1 1 A 9 9 PRO CB C 9 31.894 32.755 -0.861 1
1 41 . 14 1 1 A 10 10 GLU H H 10 8.649 8.565 0.084 1
1 42 . 14 1 1 A 10 10 GLU HA H 10 3.960 4.022 -0.062 1
1 47 . 14 1 1 A 10 10 GLU C C 10 175.849 178.818 -2.969 1
1 48 . 14 1 1 A 10 10 GLU CA C 10 58.051 58.858 -0.807 1
1 49 . 14 1 1 A 10 10 GLU CB C 10 29.627 29.756 -0.129 1
1 51 . 14 1 1 A 10 10 GLU N N 10 120.707 120.971 -0.264 1
1 52 . 14 1 1 A 11 11 TRP H H 11 7.131 8.207 -1.076 1
1 53 . 14 1 1 A 11 11 TRP HA H 11 4.548 4.493 0.055 1
1 62 . 14 1 1 A 11 11 TRP C C 11 176.362 176.630 -0.268 1
1 63 . 14 1 1 A 11 11 TRP CA C 11 55.758 59.933 -4.175 1
1 64 . 14 1 1 A 11 11 TRP CB C 11 29.285 28.101 1.184 1
1 70 . 14 1 1 A 11 11 TRP N N 11 115.904 119.162 -3.258 1
1 72 . 14 1 1 A 12 12 MET H H 12 7.289 6.972 0.317 1
1 73 . 14 1 1 A 12 12 MET HA H 12 4.054 3.882 0.172 1
1 81 . 14 1 1 A 12 12 MET C C 12 174.357 175.608 -1.251 1
1 82 . 14 1 1 A 12 12 MET CA C 12 55.900 53.959 1.941 1
1 83 . 14 1 1 A 12 12 MET CB C 12 31.808 32.021 -0.213 1
1 86 . 14 1 1 A 12 12 MET N N 12 122.155 121.141 1.014 1
1 87 . 14 1 1 A 13 13 MET H H 13 8.569 9.079 -0.510 1
1 88 . 14 1 1 A 13 13 MET HA H 13 4.890 5.242 -0.352 1
1 96 . 14 1 1 A 13 13 MET C C 13 175.898 174.939 0.959 1
1 97 . 14 1 1 A 13 13 MET CA C 13 53.784 53.893 -0.109 1
1 98 . 14 1 1 A 13 13 MET CB C 13 35.100 36.568 -1.468 1
1 101 . 14 1 1 A 13 13 MET N N 13 121.084 123.274 -2.190 1
1 102 . 14 1 1 A 14 14 ILE H H 14 9.144 8.587 0.557 1
1 103 . 14 1 1 A 14 14 ILE HA H 14 2.912 4.452 -1.540 1
1 113 . 14 1 1 A 14 14 ILE C C 14 174.810 176.010 -1.200 1
1 114 . 14 1 1 A 14 14 ILE CA C 14 63.803 60.319 3.484 1
1 115 . 14 1 1 A 14 14 ILE CB C 14 38.974 39.026 -0.052 1
1 119 . 14 1 1 A 14 14 ILE N N 14 125.919 120.315 5.604 1
1 120 . 14 1 1 A 15 15 HIS H H 15 8.926 8.439 0.487 1
1 121 . 14 1 1 A 15 15 HIS HA H 15 4.690 4.348 0.342 1
1 125 . 14 1 1 A 15 15 HIS C C 15 174.715 174.970 -0.255 1
1 126 . 14 1 1 A 15 15 HIS CA C 15 55.829 59.828 -3.999 1
1 127 . 14 1 1 A 15 15 HIS CB C 15 33.853 30.347 3.506 1
1 129 . 14 1 1 A 15 15 HIS N N 15 125.470 128.229 -2.759 1
1 130 . 14 1 1 A 16 16 ARG H H 16 7.529 7.638 -0.109 1
1 131 . 14 1 1 A 16 16 ARG HA H 16 4.193 4.877 -0.684 1
1 138 . 14 1 1 A 16 16 ARG C C 16 173.315 174.756 -1.441 1
1 139 . 14 1 1 A 16 16 ARG CA C 16 55.329 55.428 -0.099 1
1 140 . 14 1 1 A 16 16 ARG CB C 16 33.252 32.955 0.297 1
1 143 . 14 1 1 A 16 16 ARG N N 16 111.315 114.160 -2.845 1
1 144 . 14 1 1 A 17 17 ILE H H 17 8.396 8.978 -0.582 1
1 145 . 14 1 1 A 17 17 ILE HA H 17 4.052 3.957 0.095 1
1 155 . 14 1 1 A 17 17 ILE C C 17 175.341 175.404 -0.063 1
1 156 . 14 1 1 A 17 17 ILE CA C 17 61.859 61.724 0.135 1
1 157 . 14 1 1 A 17 17 ILE CB C 17 37.952 36.840 1.112 1
1 161 . 14 1 1 A 17 17 ILE N N 17 121.157 123.975 -2.818 1
1 162 . 14 1 1 A 18 18 LEU H H 18 9.102 8.540 0.562 1
1 163 . 14 1 1 A 18 18 LEU HA H 18 4.253 4.055 0.198 1
1 173 . 14 1 1 A 18 18 LEU C C 18 176.622 176.471 0.151 1
1 174 . 14 1 1 A 18 18 LEU CA C 18 55.422 56.861 -1.439 1
1 175 . 14 1 1 A 18 18 LEU CB C 18 43.410 42.152 1.258 1
1 179 . 14 1 1 A 18 18 LEU N N 18 124.326 129.777 -5.451 1
1 180 . 14 1 1 A 19 19 ASN H H 19 7.343 7.435 -0.092 1
1 181 . 14 1 1 A 19 19 ASN HA H 19 5.227 5.031 0.196 1
1 186 . 14 1 1 A 19 19 ASN C C 19 172.527 173.292 -0.765 1
1 187 . 14 1 1 A 19 19 ASN CA C 19 51.140 52.297 -1.157 1
1 188 . 14 1 1 A 19 19 ASN CB C 19 40.795 41.659 -0.864 1
1 189 . 14 1 1 A 19 19 ASN N N 19 113.895 112.037 1.858 1
1 191 . 14 1 1 A 20 20 HIS H H 20 8.816 8.892 -0.076 1
1 192 . 14 1 1 A 20 20 HIS HA H 20 5.875 6.004 -0.129 1
1 197 . 14 1 1 A 20 20 HIS C C 20 173.013 172.555 0.458 1
1 198 . 14 1 1 A 20 20 HIS CA C 20 55.932 54.189 1.743 1
1 199 . 14 1 1 A 20 20 HIS CB C 20 35.190 33.659 1.531 1
1 202 . 14 1 1 A 20 20 HIS N N 20 118.537 116.667 1.870 1
1 203 . 14 1 1 A 21 21 SER H H 21 9.203 9.076 0.127 1
1 204 . 14 1 1 A 21 21 SER HA H 21 4.399 4.819 -0.420 1
1 207 . 14 1 1 A 21 21 SER C C 21 172.382 171.914 0.468 1
1 208 . 14 1 1 A 21 21 SER CA C 21 57.063 56.642 0.421 1
1 209 . 14 1 1 A 21 21 SER CB C 21 65.417 65.410 0.007 1
1 210 . 14 1 1 A 21 21 SER N N 21 115.006 114.912 0.094 1
1 211 . 14 1 1 A 22 22 VAL H H 22 8.493 8.943 -0.450 1
1 212 . 14 1 1 A 22 22 VAL HA H 22 4.961 4.725 0.236 1
1 220 . 14 1 1 A 22 22 VAL C C 22 176.199 174.467 1.732 1
1 221 . 14 1 1 A 22 22 VAL CA C 22 61.066 60.459 0.607 1
1 222 . 14 1 1 A 22 22 VAL CB C 22 33.732 33.775 -0.043 1
1 225 . 14 1 1 A 22 22 VAL N N 22 124.080 127.949 -3.869 1
1 226 . 14 1 1 A 23 23 ASP H H 23 8.667 7.795 0.872 1
1 227 . 14 1 1 A 23 23 ASP HA H 23 4.688 4.380 0.308 1
1 230 . 14 1 1 A 23 23 ASP C C 23 178.629 177.265 1.364 1
1 231 . 14 1 1 A 23 23 ASP CA C 23 52.814 54.108 -1.294 1
1 232 . 14 1 1 A 23 23 ASP CB C 23 41.525 42.358 -0.833 1
1 233 . 14 1 1 A 23 23 ASP N N 23 127.673 128.100 -0.427 1
1 234 . 14 1 1 A 24 24 LYS H H 24 8.242 8.739 -0.497 1
1 235 . 14 1 1 A 24 24 LYS HA H 24 4.077 3.859 0.218 1
1 244 . 14 1 1 A 24 24 LYS C C 24 177.637 178.378 -0.741 1
1 245 . 14 1 1 A 24 24 LYS CA C 24 58.419 59.855 -1.436 1
1 246 . 14 1 1 A 24 24 LYS CB C 24 32.057 31.941 0.116 1
1 250 . 14 1 1 A 24 24 LYS N N 24 116.378 124.727 -8.349 1
1 251 . 14 1 1 A 25 25 LYS H H 25 8.128 7.586 0.542 1
1 252 . 14 1 1 A 25 25 LYS HA H 25 4.379 4.034 0.345 1
1 261 . 14 1 1 A 25 25 LYS C C 25 176.600 176.588 0.012 1
1 262 . 14 1 1 A 25 25 LYS CA C 25 55.411 57.690 -2.279 1
1 263 . 14 1 1 A 25 25 LYS CB C 25 32.516 32.703 -0.187 1
1 267 . 14 1 1 A 25 25 LYS N N 25 118.184 118.521 -0.337 1
1 268 . 14 1 1 A 26 26 GLY H H 26 8.040 7.929 0.111 1
1 269 . 14 1 1 A 26 26 GLY HA2 H 26 4.125 4.061 0.064 1
1 270 . 14 1 1 A 26 26 GLY HA3 H 26 3.428 4.102 -0.674 1
1 271 . 14 1 1 A 26 26 GLY C C 26 174.048 174.650 -0.602 1
1 272 . 14 1 1 A 26 26 GLY CA C 26 45.235 45.159 0.076 1
1 273 . 14 1 1 A 26 26 GLY N N 26 108.208 106.004 2.204 1
1 274 . 14 1 1 A 27 27 HIS H H 27 8.599 7.991 0.608 1
1 275 . 14 1 1 A 27 27 HIS HA H 27 4.491 4.468 0.023 1
1 279 . 14 1 1 A 27 27 HIS C C 27 174.516 174.232 0.284 1
1 280 . 14 1 1 A 27 27 HIS CA C 27 55.935 56.538 -0.603 1
1 281 . 14 1 1 A 27 27 HIS CB C 27 29.257 29.179 0.078 1
1 283 . 14 1 1 A 27 27 HIS N N 27 123.031 118.726 4.305 1
1 284 . 14 1 1 A 28 28 VAL H H 28 8.330 8.510 -0.180 1
1 285 . 14 1 1 A 28 28 VAL HA H 28 4.776 4.020 0.756 1
1 293 . 14 1 1 A 28 28 VAL C C 28 174.798 175.606 -0.808 1
1 294 . 14 1 1 A 28 28 VAL CA C 28 62.070 63.472 -1.402 1
1 295 . 14 1 1 A 28 28 VAL CB C 28 32.965 31.835 1.130 1
1 298 . 14 1 1 A 28 28 VAL N N 28 127.641 125.151 2.490 1
1 299 . 14 1 1 A 29 29 HIS H H 29 8.887 9.323 -0.436 1
1 300 . 14 1 1 A 29 29 HIS HA H 29 5.071 5.443 -0.372 1
1 305 . 14 1 1 A 29 29 HIS C C 29 173.998 173.918 0.080 1
1 306 . 14 1 1 A 29 29 HIS CA C 29 54.841 53.733 1.108 1
1 307 . 14 1 1 A 29 29 HIS CB C 29 33.921 32.550 1.371 1
1 310 . 14 1 1 A 29 29 HIS N N 29 124.946 126.574 -1.628 1
1 311 . 14 1 1 A 30 30 TYR H H 30 9.630 9.604 0.026 1
1 312 . 14 1 1 A 30 30 TYR HA H 30 5.092 5.064 0.028 1
1 319 . 14 1 1 A 30 30 TYR C C 30 173.451 174.616 -1.165 1
1 320 . 14 1 1 A 30 30 TYR CA C 30 57.627 56.301 1.326 1
1 321 . 14 1 1 A 30 30 TYR CB C 30 41.124 41.163 -0.039 1
1 326 . 14 1 1 A 30 30 TYR N N 30 119.246 121.147 -1.901 1
1 327 . 14 1 1 A 31 31 LEU H H 31 7.804 8.621 -0.817 1
1 328 . 14 1 1 A 31 31 LEU HA H 31 3.561 3.436 0.125 1
1 338 . 14 1 1 A 31 31 LEU C C 31 173.742 174.279 -0.537 1
1 339 . 14 1 1 A 31 31 LEU CA C 31 53.120 54.197 -1.077 1
1 340 . 14 1 1 A 31 31 LEU CB C 31 39.479 40.876 -1.397 1
1 344 . 14 1 1 A 31 31 LEU N N 31 125.982 126.076 -0.094 1
1 345 . 14 1 1 A 32 32 ILE H H 32 8.861 8.121 0.740 1
1 346 . 14 1 1 A 32 32 ILE HA H 32 3.402 4.057 -0.655 1
1 356 . 14 1 1 A 32 32 ILE C C 32 173.769 174.030 -0.261 1
1 357 . 14 1 1 A 32 32 ILE CA C 32 61.356 60.668 0.688 1
1 358 . 14 1 1 A 32 32 ILE CB C 32 39.405 37.233 2.172 1
1 362 . 14 1 1 A 32 32 ILE N N 32 129.827 127.418 2.409 1
1 363 . 14 1 1 A 33 33 LYS H H 33 7.951 8.579 -0.628 1
1 364 . 14 1 1 A 33 33 LYS HA H 33 4.111 4.393 -0.282 1
1 373 . 14 1 1 A 33 33 LYS C C 33 174.920 174.959 -0.039 1
1 374 . 14 1 1 A 33 33 LYS CA C 33 54.849 54.727 0.122 1
1 375 . 14 1 1 A 33 33 LYS CB C 33 33.162 32.914 0.248 1
1 379 . 14 1 1 A 33 33 LYS N N 33 124.612 127.618 -3.006 1
1 380 . 14 1 1 A 34 34 TRP H H 34 8.145 8.138 0.007 1
1 381 . 14 1 1 A 34 34 TRP HA H 34 4.690 4.474 0.216 1
1 390 . 14 1 1 A 34 34 TRP C C 34 177.144 177.200 -0.056 1
1 391 . 14 1 1 A 34 34 TRP CA C 34 55.582 58.700 -3.118 1
1 392 . 14 1 1 A 34 34 TRP CB C 34 30.832 29.630 1.202 1
1 398 . 14 1 1 A 34 34 TRP N N 34 132.766 127.575 5.191 1
1 400 . 14 1 1 A 35 35 ARG H H 35 9.199 8.703 0.496 1
1 401 . 14 1 1 A 35 35 ARG HA H 35 3.742 4.217 -0.475 1
1 408 . 14 1 1 A 35 35 ARG C C 35 176.307 177.710 -1.403 1
1 409 . 14 1 1 A 35 35 ARG CA C 35 58.738 60.393 -1.655 1
1 410 . 14 1 1 A 35 35 ARG CB C 35 30.254 30.176 0.078 1
1 413 . 14 1 1 A 35 35 ARG N N 35 124.433 126.305 -1.872 1
1 414 . 14 1 1 A 36 36 ASP H H 36 8.812 8.740 0.072 1
1 415 . 14 1 1 A 36 36 ASP HA H 36 4.294 4.516 -0.222 1
1 418 . 14 1 1 A 36 36 ASP C C 36 174.269 176.802 -2.533 1
1 419 . 14 1 1 A 36 36 ASP CA C 36 55.948 57.111 -1.163 1
1 420 . 14 1 1 A 36 36 ASP CB C 36 39.960 40.562 -0.602 1
1 421 . 14 1 1 A 36 36 ASP N N 36 115.622 118.020 -2.398 1
1 422 . 14 1 1 A 37 37 LEU H H 37 7.372 7.823 -0.451 1
1 423 . 14 1 1 A 37 37 LEU HA H 37 4.966 4.528 0.438 1
1 433 . 14 1 1 A 37 37 LEU C C 37 174.638 174.913 -0.275 1
1 434 . 14 1 1 A 37 37 LEU CA C 37 51.968 53.390 -1.422 1
1 435 . 14 1 1 A 37 37 LEU CB C 37 44.421 41.182 3.239 1
1 439 . 14 1 1 A 37 37 LEU N N 37 119.137 122.088 -2.951 1
1 440 . 14 1 1 A 38 38 PRO HA H 38 4.559 4.598 -0.039 1
1 447 . 14 1 1 A 38 38 PRO C C 38 178.256 176.468 1.788 1
1 448 . 14 1 1 A 38 38 PRO CA C 38 62.332 62.355 -0.023 1
1 449 . 14 1 1 A 38 38 PRO CB C 38 33.232 33.343 -0.111 1
1 452 . 14 1 1 A 39 39 TYR H H 39 8.933 8.849 0.084 1
1 453 . 14 1 1 A 39 39 TYR HA H 39 3.758 4.039 -0.281 1
1 460 . 14 1 1 A 39 39 TYR C C 39 177.241 177.944 -0.703 1
1 461 . 14 1 1 A 39 39 TYR CA C 39 62.934 61.617 1.317 1
1 462 . 14 1 1 A 39 39 TYR CB C 39 38.451 38.500 -0.049 1
1 467 . 14 1 1 A 39 39 TYR N N 39 122.113 121.020 1.093 1
1 468 . 14 1 1 A 40 40 ASP H H 40 8.439 8.305 0.134 1
1 469 . 14 1 1 A 40 40 ASP HA H 40 4.407 4.405 0.002 1
1 472 . 14 1 1 A 40 40 ASP C C 40 176.645 177.064 -0.419 1
1 473 . 14 1 1 A 40 40 ASP CA C 40 55.335 56.431 -1.096 1
1 474 . 14 1 1 A 40 40 ASP CB C 40 39.476 40.517 -1.041 1
1 475 . 14 1 1 A 40 40 ASP N N 40 115.019 119.423 -4.404 1
1 476 . 14 1 1 A 41 41 GLN H H 41 7.761 7.655 0.106 1
1 477 . 14 1 1 A 41 41 GLN HA H 41 4.457 4.518 -0.061 1
1 484 . 14 1 1 A 41 41 GLN C C 41 175.665 175.513 0.152 1
1 485 . 14 1 1 A 41 41 GLN CA C 41 55.031 55.369 -0.338 1
1 486 . 14 1 1 A 41 41 GLN CB C 41 29.606 29.525 0.081 1
1 488 . 14 1 1 A 41 41 GLN N N 41 117.630 116.602 1.028 1
1 490 . 14 1 1 A 42 42 ALA H H 42 7.379 7.172 0.207 1
1 491 . 14 1 1 A 42 42 ALA HA H 42 4.776 4.107 0.669 1
1 495 . 14 1 1 A 42 42 ALA C C 42 177.103 176.607 0.496 1
1 496 . 14 1 1 A 42 42 ALA CA C 42 53.572 52.704 0.868 1
1 497 . 14 1 1 A 42 42 ALA CB C 42 18.951 19.021 -0.070 1
1 498 . 14 1 1 A 42 42 ALA N N 42 123.425 124.126 -0.701 1
1 499 . 14 1 1 A 43 43 SER H H 43 8.521 7.876 0.645 1
1 500 . 14 1 1 A 43 43 SER HA H 43 4.861 5.097 -0.236 1
1 503 . 14 1 1 A 43 43 SER C C 43 172.947 173.023 -0.076 1
1 504 . 14 1 1 A 43 43 SER CA C 43 56.852 55.841 1.011 1
1 505 . 14 1 1 A 43 43 SER CB C 43 66.734 66.106 0.628 1
1 506 . 14 1 1 A 43 43 SER N N 43 115.967 114.543 1.424 1
1 507 . 14 1 1 A 44 44 TRP H H 44 8.699 8.905 -0.206 1
1 508 . 14 1 1 A 44 44 TRP HA H 44 5.081 5.037 0.044 1
1 517 . 14 1 1 A 44 44 TRP C C 44 177.207 176.550 0.657 1
1 518 . 14 1 1 A 44 44 TRP CA C 44 56.648 56.712 -0.064 1
1 519 . 14 1 1 A 44 44 TRP CB C 44 29.592 30.491 -0.899 1
1 525 . 14 1 1 A 44 44 TRP N N 44 123.015 125.153 -2.138 1
1 527 . 14 1 1 A 45 45 GLU H H 45 9.773 8.831 0.942 1
1 528 . 14 1 1 A 45 45 GLU HA H 45 5.156 4.865 0.291 1
1 533 . 14 1 1 A 45 45 GLU C C 45 176.249 176.422 -0.173 1
1 534 . 14 1 1 A 45 45 GLU CA C 45 53.378 54.577 -1.199 1
1 535 . 14 1 1 A 45 45 GLU CB C 45 31.950 33.144 -1.194 1
1 537 . 14 1 1 A 45 45 GLU N N 45 122.799 123.438 -0.639 1
1 538 . 14 1 1 A 46 46 SER H H 46 9.121 8.792 0.329 1
1 539 . 14 1 1 A 46 46 SER HA H 46 4.106 4.434 -0.328 1
1 542 . 14 1 1 A 46 46 SER C C 46 178.218 176.342 1.876 1
1 543 . 14 1 1 A 46 46 SER CA C 46 58.791 57.515 1.276 1
1 544 . 14 1 1 A 46 46 SER CB C 46 63.100 65.033 -1.933 1
1 545 . 14 1 1 A 46 46 SER N N 46 116.892 118.363 -1.471 1
1 546 . 14 1 1 A 47 47 GLU H H 47 8.588 8.755 -0.167 1
1 547 . 14 1 1 A 47 47 GLU HA H 47 4.327 4.751 -0.424 1
1 552 . 14 1 1 A 47 47 GLU C C 47 174.707 177.722 -3.015 1
1 553 . 14 1 1 A 47 47 GLU CA C 47 58.693 57.631 1.062 1
1 554 . 14 1 1 A 47 47 GLU CB C 47 29.990 29.477 0.513 1
1 556 . 14 1 1 A 47 47 GLU N N 47 125.534 119.508 6.026 1
1 557 . 14 1 1 A 48 48 ASP H H 48 8.415 8.236 0.179 1
1 558 . 14 1 1 A 48 48 ASP HA H 48 4.847 4.831 0.016 1
1 561 . 14 1 1 A 48 48 ASP C C 48 176.853 176.050 0.803 1
1 562 . 14 1 1 A 48 48 ASP CA C 48 54.472 56.106 -1.634 1
1 563 . 14 1 1 A 48 48 ASP CB C 48 41.795 41.814 -0.019 1
1 564 . 14 1 1 A 48 48 ASP N N 48 117.812 120.027 -2.215 1
1 565 . 14 1 1 A 49 49 VAL H H 49 7.192 7.088 0.104 1
1 566 . 14 1 1 A 49 49 VAL HA H 49 4.137 4.055 0.082 1
1 574 . 14 1 1 A 49 49 VAL C C 49 175.326 175.730 -0.404 1
1 575 . 14 1 1 A 49 49 VAL CA C 49 62.987 62.302 0.685 1
1 576 . 14 1 1 A 49 49 VAL CB C 49 32.759 32.106 0.653 1
1 579 . 14 1 1 A 49 49 VAL N N 49 118.329 116.662 1.667 1
1 580 . 14 1 1 A 50 50 GLU H H 50 8.417 8.467 -0.050 1
1 581 . 14 1 1 A 50 50 GLU HA H 50 4.526 4.799 -0.273 1
1 586 . 14 1 1 A 50 50 GLU C C 50 175.395 175.862 -0.467 1
1 587 . 14 1 1 A 50 50 GLU CA C 50 56.376 55.642 0.734 1
1 588 . 14 1 1 A 50 50 GLU CB C 50 29.216 30.402 -1.186 1
1 590 . 14 1 1 A 50 50 GLU N N 50 124.475 124.335 0.140 1
1 591 . 14 1 1 A 51 51 ILE H H 51 7.483 8.504 -1.021 1
1 592 . 14 1 1 A 51 51 ILE HA H 51 4.068 4.659 -0.591 1
1 602 . 14 1 1 A 51 51 ILE C C 51 175.838 174.992 0.846 1
1 603 . 14 1 1 A 51 51 ILE CA C 51 60.572 59.291 1.281 1
1 604 . 14 1 1 A 51 51 ILE CB C 51 41.701 41.508 0.193 1
1 608 . 14 1 1 A 51 51 ILE N N 51 125.565 125.486 0.079 1
1 609 . 14 1 1 A 52 52 GLN H H 52 9.055 8.506 0.549 1
1 610 . 14 1 1 A 52 52 GLN HA H 52 4.042 3.911 0.131 1
1 617 . 14 1 1 A 52 52 GLN C C 52 176.011 176.236 -0.225 1
1 618 . 14 1 1 A 52 52 GLN CA C 52 58.264 57.573 0.691 1
1 619 . 14 1 1 A 52 52 GLN CB C 52 28.458 28.391 0.067 1
1 621 . 14 1 1 A 52 52 GLN N N 52 130.354 125.209 5.145 1
1 623 . 14 1 1 A 53 53 ASP H H 53 9.244 9.478 -0.234 1
1 624 . 14 1 1 A 53 53 ASP HA H 53 4.529 4.344 0.185 1
1 627 . 14 1 1 A 53 53 ASP C C 53 176.419 175.624 0.795 1
1 628 . 14 1 1 A 53 53 ASP CA C 53 56.605 55.438 1.167 1
1 629 . 14 1 1 A 53 53 ASP CB C 53 39.788 39.099 0.689 1
1 630 . 14 1 1 A 53 53 ASP N N 53 119.289 122.298 -3.009 1
1 631 . 14 1 1 A 54 54 TYR H H 54 7.920 8.279 -0.359 1
1 632 . 14 1 1 A 54 54 TYR HA H 54 4.388 4.267 0.121 1
1 639 . 14 1 1 A 54 54 TYR C C 54 178.807 177.545 1.262 1
1 640 . 14 1 1 A 54 54 TYR CA C 54 57.557 61.044 -3.487 1
1 641 . 14 1 1 A 54 54 TYR CB C 54 37.745 38.575 -0.830 1
1 646 . 14 1 1 A 54 54 TYR N N 54 120.852 119.207 1.645 1
1 647 . 14 1 1 A 55 55 ASP H H 55 8.942 8.069 0.873 1
1 648 . 14 1 1 A 55 55 ASP HA H 55 4.155 4.287 -0.132 1
1 651 . 14 1 1 A 55 55 ASP C C 55 178.492 179.013 -0.521 1
1 652 . 14 1 1 A 55 55 ASP CA C 55 57.839 57.562 0.277 1
1 653 . 14 1 1 A 55 55 ASP CB C 55 39.955 40.310 -0.355 1
1 654 . 14 1 1 A 55 55 ASP N N 55 114.884 120.365 -5.481 1
1 655 . 14 1 1 A 56 56 LEU H H 56 7.585 8.216 -0.631 1
1 656 . 14 1 1 A 56 56 LEU HA H 56 3.968 3.926 0.042 1
1 666 . 14 1 1 A 56 56 LEU C C 56 180.237 179.354 0.883 1
1 667 . 14 1 1 A 56 56 LEU CA C 56 57.892 58.139 -0.247 1
1 668 . 14 1 1 A 56 56 LEU CB C 56 41.204 42.327 -1.123 1
1 672 . 14 1 1 A 56 56 LEU N N 56 121.328 120.574 0.754 1
1 673 . 14 1 1 A 57 57 PHE H H 57 7.735 8.285 -0.550 1
1 674 . 14 1 1 A 57 57 PHE HA H 57 4.182 4.195 -0.013 1
1 682 . 14 1 1 A 57 57 PHE C C 57 179.437 178.217 1.220 1
1 683 . 14 1 1 A 57 57 PHE CA C 57 62.756 61.187 1.569 1
1 684 . 14 1 1 A 57 57 PHE CB C 57 38.803 38.894 -0.091 1
1 690 . 14 1 1 A 57 57 PHE N N 57 118.200 117.396 0.804 1
1 691 . 14 1 1 A 58 58 LYS H H 58 8.834 7.810 1.024 1
1 692 . 14 1 1 A 58 58 LYS HA H 58 3.515 3.561 -0.046 1
1 701 . 14 1 1 A 58 58 LYS C C 58 177.565 179.046 -1.481 1
1 702 . 14 1 1 A 58 58 LYS CA C 58 60.851 59.423 1.428 1
1 703 . 14 1 1 A 58 58 LYS CB C 58 33.102 31.893 1.209 1
1 707 . 14 1 1 A 58 58 LYS N N 58 123.283 117.949 5.334 1
1 708 . 14 1 1 A 59 59 GLN H H 59 7.955 7.874 0.081 1
1 709 . 14 1 1 A 59 59 GLN HA H 59 4.104 4.207 -0.103 1
1 716 . 14 1 1 A 59 59 GLN C C 59 178.948 178.191 0.757 1
1 717 . 14 1 1 A 59 59 GLN CA C 59 59.249 58.547 0.702 1
1 718 . 14 1 1 A 59 59 GLN CB C 59 28.185 28.587 -0.402 1
1 720 . 14 1 1 A 59 59 GLN N N 59 117.353 119.997 -2.644 1
1 722 . 14 1 1 A 60 60 SER H H 60 7.821 7.725 0.096 1
1 723 . 14 1 1 A 60 60 SER HA H 60 4.233 4.202 0.031 1
1 726 . 14 1 1 A 60 60 SER C C 60 176.403 176.149 0.254 1
1 727 . 14 1 1 A 60 60 SER CA C 60 60.954 61.597 -0.643 1
1 728 . 14 1 1 A 60 60 SER CB C 60 63.007 63.115 -0.108 1
1 729 . 14 1 1 A 60 60 SER N N 60 112.660 114.531 -1.871 1
1 730 . 14 1 1 A 61 61 TYR H H 61 7.858 8.484 -0.626 1
1 731 . 14 1 1 A 61 61 TYR HA H 61 4.084 4.042 0.042 1
1 734 . 14 1 1 A 61 61 TYR C C 61 177.358 177.488 -0.130 1
1 735 . 14 1 1 A 61 61 TYR CA C 61 61.217 62.077 -0.860 1
1 736 . 14 1 1 A 61 61 TYR CB C 61 38.470 38.370 0.100 1
1 739 . 14 1 1 A 61 61 TYR N N 61 122.550 121.898 0.652 1
1 740 . 14 1 1 A 62 62 TRP H H 62 7.754 7.567 0.187 1
1 741 . 14 1 1 A 62 62 TRP HA H 62 4.273 4.222 0.051 1
1 750 . 14 1 1 A 62 62 TRP C C 62 176.694 178.888 -2.194 1
1 751 . 14 1 1 A 62 62 TRP CA C 62 58.061 60.513 -2.452 1
1 752 . 14 1 1 A 62 62 TRP CB C 62 30.047 29.434 0.613 1
1 758 . 14 1 1 A 62 62 TRP N N 62 116.320 119.575 -3.255 1
1 760 . 14 1 1 A 63 63 ASN H H 63 7.800 8.229 -0.429 1
1 761 . 14 1 1 A 63 63 ASN HA H 63 4.688 4.355 0.333 1
1 766 . 14 1 1 A 63 63 ASN C C 63 174.055 177.375 -3.320 1
1 767 . 14 1 1 A 63 63 ASN CA C 63 53.484 56.424 -2.940 1
1 768 . 14 1 1 A 63 63 ASN CB C 63 38.645 38.083 0.562 1
1 769 . 14 1 1 A 63 63 ASN N N 63 117.543 117.364 0.179 1
1 1 . 15 1 1 A 6 6 SER HA H 6 4.447 4.162 0.285 1
1 3 . 15 1 1 A 6 6 SER C C 6 174.919 173.679 1.240 1
1 4 . 15 1 1 A 6 6 SER CA C 6 58.632 59.028 -0.396 1
1 5 . 15 1 1 A 6 6 SER CB C 6 63.826 61.183 2.643 1
1 6 . 15 1 1 A 7 7 GLY H H 7 8.381 7.990 0.391 1
1 7 . 15 1 1 A 7 7 GLY HA2 H 7 3.956 4.181 -0.225 1
1 8 . 15 1 1 A 7 7 GLY HA3 H 7 3.907 4.183 -0.276 1
1 9 . 15 1 1 A 7 7 GLY C C 7 173.610 173.411 0.199 1
1 10 . 15 1 1 A 7 7 GLY CA C 7 45.128 43.790 1.338 1
1 11 . 15 1 1 A 7 7 GLY N N 7 110.672 109.973 0.699 1
1 12 . 15 1 1 A 8 8 LYS H H 8 7.989 8.202 -0.213 1
1 13 . 15 1 1 A 8 8 LYS HA H 8 4.430 4.321 0.109 1
1 22 . 15 1 1 A 8 8 LYS C C 8 174.322 174.595 -0.273 1
1 23 . 15 1 1 A 8 8 LYS CA C 8 53.436 55.104 -1.668 1
1 24 . 15 1 1 A 8 8 LYS CB C 8 31.892 31.699 0.193 1
1 28 . 15 1 1 A 8 8 LYS N N 8 121.270 120.202 1.068 1
1 29 . 15 1 1 A 9 9 PRO HA H 9 4.131 4.496 -0.365 1
1 36 . 15 1 1 A 9 9 PRO C C 9 177.331 177.305 0.026 1
1 37 . 15 1 1 A 9 9 PRO CA C 9 62.970 62.611 0.359 1
1 38 . 15 1 1 A 9 9 PRO CB C 9 31.894 32.339 -0.445 1
1 41 . 15 1 1 A 10 10 GLU H H 10 8.649 8.690 -0.041 1
1 42 . 15 1 1 A 10 10 GLU HA H 10 3.960 3.890 0.070 1
1 47 . 15 1 1 A 10 10 GLU C C 10 175.849 178.704 -2.855 1
1 48 . 15 1 1 A 10 10 GLU CA C 10 58.051 58.981 -0.930 1
1 49 . 15 1 1 A 10 10 GLU CB C 10 29.627 29.335 0.292 1
1 51 . 15 1 1 A 10 10 GLU N N 10 120.707 121.888 -1.181 1
1 52 . 15 1 1 A 11 11 TRP H H 11 7.131 8.160 -1.029 1
1 53 . 15 1 1 A 11 11 TRP HA H 11 4.548 4.480 0.068 1
1 62 . 15 1 1 A 11 11 TRP C C 11 176.362 176.826 -0.464 1
1 63 . 15 1 1 A 11 11 TRP CA C 11 55.758 59.954 -4.196 1
1 64 . 15 1 1 A 11 11 TRP CB C 11 29.285 28.195 1.090 1
1 70 . 15 1 1 A 11 11 TRP N N 11 115.904 119.334 -3.430 1
1 72 . 15 1 1 A 12 12 MET H H 12 7.289 6.928 0.361 1
1 73 . 15 1 1 A 12 12 MET HA H 12 4.054 3.911 0.143 1
1 81 . 15 1 1 A 12 12 MET C C 12 174.357 175.825 -1.468 1
1 82 . 15 1 1 A 12 12 MET CA C 12 55.900 54.510 1.390 1
1 83 . 15 1 1 A 12 12 MET CB C 12 31.808 31.689 0.119 1
1 86 . 15 1 1 A 12 12 MET N N 12 122.155 120.776 1.379 1
1 87 . 15 1 1 A 13 13 MET H H 13 8.569 8.989 -0.420 1
1 88 . 15 1 1 A 13 13 MET HA H 13 4.890 5.248 -0.358 1
1 96 . 15 1 1 A 13 13 MET C C 13 175.898 174.503 1.395 1
1 97 . 15 1 1 A 13 13 MET CA C 13 53.784 53.974 -0.190 1
1 98 . 15 1 1 A 13 13 MET CB C 13 35.100 37.339 -2.239 1
1 101 . 15 1 1 A 13 13 MET N N 13 121.084 121.395 -0.311 1
1 102 . 15 1 1 A 14 14 ILE H H 14 9.144 8.572 0.572 1
1 103 . 15 1 1 A 14 14 ILE HA H 14 2.912 4.275 -1.363 1
1 113 . 15 1 1 A 14 14 ILE C C 14 174.810 176.136 -1.326 1
1 114 . 15 1 1 A 14 14 ILE CA C 14 63.803 60.154 3.649 1
1 115 . 15 1 1 A 14 14 ILE CB C 14 38.974 38.205 0.769 1
1 119 . 15 1 1 A 14 14 ILE N N 14 125.919 121.244 4.675 1
1 120 . 15 1 1 A 15 15 HIS H H 15 8.926 8.635 0.291 1
1 121 . 15 1 1 A 15 15 HIS HA H 15 4.690 4.183 0.507 1
1 125 . 15 1 1 A 15 15 HIS C C 15 174.715 174.921 -0.206 1
1 126 . 15 1 1 A 15 15 HIS CA C 15 55.829 60.057 -4.228 1
1 127 . 15 1 1 A 15 15 HIS CB C 15 33.853 30.550 3.303 1
1 129 . 15 1 1 A 15 15 HIS N N 15 125.470 128.366 -2.896 1
1 130 . 15 1 1 A 16 16 ARG H H 16 7.529 7.575 -0.046 1
1 131 . 15 1 1 A 16 16 ARG HA H 16 4.193 4.872 -0.679 1
1 138 . 15 1 1 A 16 16 ARG C C 16 173.315 174.732 -1.417 1
1 139 . 15 1 1 A 16 16 ARG CA C 16 55.329 55.379 -0.050 1
1 140 . 15 1 1 A 16 16 ARG CB C 16 33.252 32.848 0.404 1
1 143 . 15 1 1 A 16 16 ARG N N 16 111.315 114.085 -2.770 1
1 144 . 15 1 1 A 17 17 ILE H H 17 8.396 8.881 -0.485 1
1 145 . 15 1 1 A 17 17 ILE HA H 17 4.052 3.887 0.165 1
1 155 . 15 1 1 A 17 17 ILE C C 17 175.341 175.395 -0.054 1
1 156 . 15 1 1 A 17 17 ILE CA C 17 61.859 61.705 0.154 1
1 157 . 15 1 1 A 17 17 ILE CB C 17 37.952 36.715 1.237 1
1 161 . 15 1 1 A 17 17 ILE N N 17 121.157 123.702 -2.545 1
1 162 . 15 1 1 A 18 18 LEU H H 18 9.102 8.427 0.675 1
1 163 . 15 1 1 A 18 18 LEU HA H 18 4.253 3.941 0.312 1
1 173 . 15 1 1 A 18 18 LEU C C 18 176.622 176.391 0.231 1
1 174 . 15 1 1 A 18 18 LEU CA C 18 55.422 56.986 -1.564 1
1 175 . 15 1 1 A 18 18 LEU CB C 18 43.410 41.892 1.518 1
1 179 . 15 1 1 A 18 18 LEU N N 18 124.326 129.894 -5.568 1
1 180 . 15 1 1 A 19 19 ASN H H 19 7.343 7.343 0.000 1
1 181 . 15 1 1 A 19 19 ASN HA H 19 5.227 4.948 0.279 1
1 186 . 15 1 1 A 19 19 ASN C C 19 172.527 173.163 -0.636 1
1 187 . 15 1 1 A 19 19 ASN CA C 19 51.140 52.360 -1.220 1
1 188 . 15 1 1 A 19 19 ASN CB C 19 40.795 41.647 -0.852 1
1 189 . 15 1 1 A 19 19 ASN N N 19 113.895 111.824 2.071 1
1 191 . 15 1 1 A 20 20 HIS H H 20 8.816 8.842 -0.026 1
1 192 . 15 1 1 A 20 20 HIS HA H 20 5.875 6.167 -0.292 1
1 197 . 15 1 1 A 20 20 HIS C C 20 173.013 172.859 0.154 1
1 198 . 15 1 1 A 20 20 HIS CA C 20 55.932 54.133 1.799 1
1 199 . 15 1 1 A 20 20 HIS CB C 20 35.190 33.522 1.668 1
1 202 . 15 1 1 A 20 20 HIS N N 20 118.537 116.696 1.841 1
1 203 . 15 1 1 A 21 21 SER H H 21 9.203 8.820 0.383 1
1 204 . 15 1 1 A 21 21 SER HA H 21 4.399 4.714 -0.315 1
1 207 . 15 1 1 A 21 21 SER C C 21 172.382 171.986 0.396 1
1 208 . 15 1 1 A 21 21 SER CA C 21 57.063 56.808 0.255 1
1 209 . 15 1 1 A 21 21 SER CB C 21 65.417 64.805 0.612 1
1 210 . 15 1 1 A 21 21 SER N N 21 115.006 114.229 0.777 1
1 211 . 15 1 1 A 22 22 VAL H H 22 8.493 8.443 0.050 1
1 212 . 15 1 1 A 22 22 VAL HA H 22 4.961 4.364 0.597 1
1 220 . 15 1 1 A 22 22 VAL C C 22 176.199 174.318 1.881 1
1 221 . 15 1 1 A 22 22 VAL CA C 22 61.066 61.150 -0.084 1
1 222 . 15 1 1 A 22 22 VAL CB C 22 33.732 34.443 -0.711 1
1 225 . 15 1 1 A 22 22 VAL N N 22 124.080 123.699 0.381 1
1 226 . 15 1 1 A 23 23 ASP H H 23 8.667 8.417 0.250 1
1 227 . 15 1 1 A 23 23 ASP HA H 23 4.688 4.619 0.069 1
1 230 . 15 1 1 A 23 23 ASP C C 23 178.629 176.722 1.907 1
1 231 . 15 1 1 A 23 23 ASP CA C 23 52.814 52.800 0.014 1
1 232 . 15 1 1 A 23 23 ASP CB C 23 41.525 42.367 -0.842 1
1 233 . 15 1 1 A 23 23 ASP N N 23 127.673 127.547 0.126 1
1 234 . 15 1 1 A 24 24 LYS H H 24 8.242 8.565 -0.323 1
1 235 . 15 1 1 A 24 24 LYS HA H 24 4.077 3.864 0.213 1
1 244 . 15 1 1 A 24 24 LYS C C 24 177.637 178.595 -0.958 1
1 245 . 15 1 1 A 24 24 LYS CA C 24 58.419 60.147 -1.728 1
1 246 . 15 1 1 A 24 24 LYS CB C 24 32.057 32.152 -0.095 1
1 250 . 15 1 1 A 24 24 LYS N N 24 116.378 124.584 -8.206 1
1 251 . 15 1 1 A 25 25 LYS H H 25 8.128 7.672 0.456 1
1 252 . 15 1 1 A 25 25 LYS HA H 25 4.379 4.096 0.283 1
1 261 . 15 1 1 A 25 25 LYS C C 25 176.600 177.059 -0.459 1
1 262 . 15 1 1 A 25 25 LYS CA C 25 55.411 57.287 -1.876 1
1 263 . 15 1 1 A 25 25 LYS CB C 25 32.516 32.713 -0.197 1
1 267 . 15 1 1 A 25 25 LYS N N 25 118.184 118.226 -0.042 1
1 268 . 15 1 1 A 26 26 GLY H H 26 8.040 7.910 0.130 1
1 269 . 15 1 1 A 26 26 GLY HA2 H 26 4.125 3.972 0.153 1
1 270 . 15 1 1 A 26 26 GLY HA3 H 26 3.428 4.011 -0.583 1
1 271 . 15 1 1 A 26 26 GLY C C 26 174.048 174.460 -0.412 1
1 272 . 15 1 1 A 26 26 GLY CA C 26 45.235 45.367 -0.132 1
1 273 . 15 1 1 A 26 26 GLY N N 26 108.208 106.758 1.450 1
1 274 . 15 1 1 A 27 27 HIS H H 27 8.599 7.995 0.604 1
1 275 . 15 1 1 A 27 27 HIS HA H 27 4.491 4.427 0.064 1
1 279 . 15 1 1 A 27 27 HIS C C 27 174.516 174.410 0.106 1
1 280 . 15 1 1 A 27 27 HIS CA C 27 55.935 56.374 -0.439 1
1 281 . 15 1 1 A 27 27 HIS CB C 27 29.257 30.143 -0.886 1
1 283 . 15 1 1 A 27 27 HIS N N 27 123.031 118.457 4.574 1
1 284 . 15 1 1 A 28 28 VAL H H 28 8.330 8.581 -0.251 1
1 285 . 15 1 1 A 28 28 VAL HA H 28 4.776 3.873 0.903 1
1 293 . 15 1 1 A 28 28 VAL C C 28 174.798 175.799 -1.001 1
1 294 . 15 1 1 A 28 28 VAL CA C 28 62.070 63.850 -1.780 1
1 295 . 15 1 1 A 28 28 VAL CB C 28 32.965 32.130 0.835 1
1 298 . 15 1 1 A 28 28 VAL N N 28 127.641 124.817 2.824 1
1 299 . 15 1 1 A 29 29 HIS H H 29 8.887 9.484 -0.597 1
1 300 . 15 1 1 A 29 29 HIS HA H 29 5.071 5.240 -0.169 1
1 305 . 15 1 1 A 29 29 HIS C C 29 173.998 174.216 -0.218 1
1 306 . 15 1 1 A 29 29 HIS CA C 29 54.841 54.123 0.718 1
1 307 . 15 1 1 A 29 29 HIS CB C 29 33.921 33.422 0.499 1
1 310 . 15 1 1 A 29 29 HIS N N 29 124.946 125.371 -0.425 1
1 311 . 15 1 1 A 30 30 TYR H H 30 9.630 9.319 0.311 1
1 312 . 15 1 1 A 30 30 TYR HA H 30 5.092 5.092 0.000 1
1 319 . 15 1 1 A 30 30 TYR C C 30 173.451 174.646 -1.195 1
1 320 . 15 1 1 A 30 30 TYR CA C 30 57.627 56.619 1.008 1
1 321 . 15 1 1 A 30 30 TYR CB C 30 41.124 40.711 0.413 1
1 326 . 15 1 1 A 30 30 TYR N N 30 119.246 121.153 -1.907 1
1 327 . 15 1 1 A 31 31 LEU H H 31 7.804 8.773 -0.969 1
1 328 . 15 1 1 A 31 31 LEU HA H 31 3.561 3.438 0.123 1
1 338 . 15 1 1 A 31 31 LEU C C 31 173.742 174.384 -0.642 1
1 339 . 15 1 1 A 31 31 LEU CA C 31 53.120 53.970 -0.850 1
1 340 . 15 1 1 A 31 31 LEU CB C 31 39.479 40.694 -1.215 1
1 344 . 15 1 1 A 31 31 LEU N N 31 125.982 126.339 -0.357 1
1 345 . 15 1 1 A 32 32 ILE H H 32 8.861 8.071 0.790 1
1 346 . 15 1 1 A 32 32 ILE HA H 32 3.402 3.792 -0.390 1
1 356 . 15 1 1 A 32 32 ILE C C 32 173.769 174.434 -0.665 1
1 357 . 15 1 1 A 32 32 ILE CA C 32 61.356 61.064 0.292 1
1 358 . 15 1 1 A 32 32 ILE CB C 32 39.405 37.144 2.261 1
1 362 . 15 1 1 A 32 32 ILE N N 32 129.827 127.074 2.753 1
1 363 . 15 1 1 A 33 33 LYS H H 33 7.951 8.454 -0.503 1
1 364 . 15 1 1 A 33 33 LYS HA H 33 4.111 4.354 -0.243 1
1 373 . 15 1 1 A 33 33 LYS C C 33 174.920 174.912 0.008 1
1 374 . 15 1 1 A 33 33 LYS CA C 33 54.849 54.445 0.404 1
1 375 . 15 1 1 A 33 33 LYS CB C 33 33.162 33.190 -0.028 1
1 379 . 15 1 1 A 33 33 LYS N N 33 124.612 127.240 -2.628 1
1 380 . 15 1 1 A 34 34 TRP H H 34 8.145 8.211 -0.066 1
1 381 . 15 1 1 A 34 34 TRP HA H 34 4.690 4.638 0.052 1
1 390 . 15 1 1 A 34 34 TRP C C 34 177.144 177.053 0.091 1
1 391 . 15 1 1 A 34 34 TRP CA C 34 55.582 58.380 -2.798 1
1 392 . 15 1 1 A 34 34 TRP CB C 34 30.832 29.408 1.424 1
1 398 . 15 1 1 A 34 34 TRP N N 34 132.766 127.659 5.107 1
1 400 . 15 1 1 A 35 35 ARG H H 35 9.199 8.646 0.553 1
1 401 . 15 1 1 A 35 35 ARG HA H 35 3.742 4.130 -0.388 1
1 408 . 15 1 1 A 35 35 ARG C C 35 176.307 178.222 -1.915 1
1 409 . 15 1 1 A 35 35 ARG CA C 35 58.738 60.392 -1.654 1
1 410 . 15 1 1 A 35 35 ARG CB C 35 30.254 30.093 0.161 1
1 413 . 15 1 1 A 35 35 ARG N N 35 124.433 126.269 -1.836 1
1 414 . 15 1 1 A 36 36 ASP H H 36 8.812 8.402 0.410 1
1 415 . 15 1 1 A 36 36 ASP HA H 36 4.294 4.479 -0.185 1
1 418 . 15 1 1 A 36 36 ASP C C 36 174.269 176.690 -2.421 1
1 419 . 15 1 1 A 36 36 ASP CA C 36 55.948 57.573 -1.625 1
1 420 . 15 1 1 A 36 36 ASP CB C 36 39.960 41.680 -1.720 1
1 421 . 15 1 1 A 36 36 ASP N N 36 115.622 119.354 -3.732 1
1 422 . 15 1 1 A 37 37 LEU H H 37 7.372 7.774 -0.402 1
1 423 . 15 1 1 A 37 37 LEU HA H 37 4.966 4.534 0.432 1
1 433 . 15 1 1 A 37 37 LEU C C 37 174.638 174.869 -0.231 1
1 434 . 15 1 1 A 37 37 LEU CA C 37 51.968 53.523 -1.555 1
1 435 . 15 1 1 A 37 37 LEU CB C 37 44.421 41.239 3.182 1
1 439 . 15 1 1 A 37 37 LEU N N 37 119.137 120.374 -1.237 1
1 440 . 15 1 1 A 38 38 PRO HA H 38 4.559 4.654 -0.095 1
1 447 . 15 1 1 A 38 38 PRO C C 38 178.256 176.312 1.944 1
1 448 . 15 1 1 A 38 38 PRO CA C 38 62.332 62.403 -0.071 1
1 449 . 15 1 1 A 38 38 PRO CB C 38 33.232 33.352 -0.120 1
1 452 . 15 1 1 A 39 39 TYR H H 39 8.933 8.902 0.031 1
1 453 . 15 1 1 A 39 39 TYR HA H 39 3.758 4.127 -0.369 1
1 460 . 15 1 1 A 39 39 TYR C C 39 177.241 177.823 -0.582 1
1 461 . 15 1 1 A 39 39 TYR CA C 39 62.934 61.191 1.743 1
1 462 . 15 1 1 A 39 39 TYR CB C 39 38.451 38.742 -0.291 1
1 467 . 15 1 1 A 39 39 TYR N N 39 122.113 120.821 1.292 1
1 468 . 15 1 1 A 40 40 ASP H H 40 8.439 8.414 0.025 1
1 469 . 15 1 1 A 40 40 ASP HA H 40 4.407 4.592 -0.185 1
1 472 . 15 1 1 A 40 40 ASP C C 40 176.645 177.064 -0.419 1
1 473 . 15 1 1 A 40 40 ASP CA C 40 55.335 56.524 -1.189 1
1 474 . 15 1 1 A 40 40 ASP CB C 40 39.476 40.681 -1.205 1
1 475 . 15 1 1 A 40 40 ASP N N 40 115.019 119.440 -4.421 1
1 476 . 15 1 1 A 41 41 GLN H H 41 7.761 7.704 0.057 1
1 477 . 15 1 1 A 41 41 GLN HA H 41 4.457 4.475 -0.018 1
1 484 . 15 1 1 A 41 41 GLN C C 41 175.665 175.886 -0.221 1
1 485 . 15 1 1 A 41 41 GLN CA C 41 55.031 55.239 -0.208 1
1 486 . 15 1 1 A 41 41 GLN CB C 41 29.606 30.177 -0.571 1
1 488 . 15 1 1 A 41 41 GLN N N 41 117.630 116.879 0.751 1
1 490 . 15 1 1 A 42 42 ALA H H 42 7.379 7.060 0.319 1
1 491 . 15 1 1 A 42 42 ALA HA H 42 4.776 4.130 0.646 1
1 495 . 15 1 1 A 42 42 ALA C C 42 177.103 177.148 -0.045 1
1 496 . 15 1 1 A 42 42 ALA CA C 42 53.572 52.771 0.801 1
1 497 . 15 1 1 A 42 42 ALA CB C 42 18.951 18.865 0.086 1
1 498 . 15 1 1 A 42 42 ALA N N 42 123.425 123.920 -0.495 1
1 499 . 15 1 1 A 43 43 SER H H 43 8.521 7.918 0.603 1
1 500 . 15 1 1 A 43 43 SER HA H 43 4.861 4.967 -0.106 1
1 503 . 15 1 1 A 43 43 SER C C 43 172.947 173.293 -0.346 1
1 504 . 15 1 1 A 43 43 SER CA C 43 56.852 57.427 -0.575 1
1 505 . 15 1 1 A 43 43 SER CB C 43 66.734 66.346 0.388 1
1 506 . 15 1 1 A 43 43 SER N N 43 115.967 115.710 0.257 1
1 507 . 15 1 1 A 44 44 TRP H H 44 8.699 9.004 -0.305 1
1 508 . 15 1 1 A 44 44 TRP HA H 44 5.081 4.796 0.285 1
1 517 . 15 1 1 A 44 44 TRP C C 44 177.207 176.388 0.819 1
1 518 . 15 1 1 A 44 44 TRP CA C 44 56.648 57.675 -1.027 1
1 519 . 15 1 1 A 44 44 TRP CB C 44 29.592 29.737 -0.145 1
1 525 . 15 1 1 A 44 44 TRP N N 44 123.015 124.827 -1.812 1
1 527 . 15 1 1 A 45 45 GLU H H 45 9.773 8.617 1.156 1
1 528 . 15 1 1 A 45 45 GLU HA H 45 5.156 4.791 0.365 1
1 533 . 15 1 1 A 45 45 GLU C C 45 176.249 176.077 0.172 1
1 534 . 15 1 1 A 45 45 GLU CA C 45 53.378 54.772 -1.394 1
1 535 . 15 1 1 A 45 45 GLU CB C 45 31.950 32.319 -0.369 1
1 537 . 15 1 1 A 45 45 GLU N N 45 122.799 124.504 -1.705 1
1 538 . 15 1 1 A 46 46 SER H H 46 9.121 8.660 0.461 1
1 539 . 15 1 1 A 46 46 SER HA H 46 4.106 4.388 -0.282 1
1 542 . 15 1 1 A 46 46 SER C C 46 178.218 175.758 2.460 1
1 543 . 15 1 1 A 46 46 SER CA C 46 58.791 58.890 -0.099 1
1 544 . 15 1 1 A 46 46 SER CB C 46 63.100 64.121 -1.021 1
1 545 . 15 1 1 A 46 46 SER N N 46 116.892 120.680 -3.788 1
1 546 . 15 1 1 A 47 47 GLU H H 47 8.588 8.829 -0.241 1
1 547 . 15 1 1 A 47 47 GLU HA H 47 4.327 4.810 -0.483 1
1 552 . 15 1 1 A 47 47 GLU C C 47 174.707 176.656 -1.949 1
1 553 . 15 1 1 A 47 47 GLU CA C 47 58.693 56.921 1.772 1
1 554 . 15 1 1 A 47 47 GLU CB C 47 29.990 29.220 0.770 1
1 556 . 15 1 1 A 47 47 GLU N N 47 125.534 121.568 3.966 1
1 557 . 15 1 1 A 48 48 ASP H H 48 8.415 8.397 0.018 1
1 558 . 15 1 1 A 48 48 ASP HA H 48 4.847 4.970 -0.123 1
1 561 . 15 1 1 A 48 48 ASP C C 48 176.853 175.976 0.877 1
1 562 . 15 1 1 A 48 48 ASP CA C 48 54.472 54.232 0.240 1
1 563 . 15 1 1 A 48 48 ASP CB C 48 41.795 42.470 -0.675 1
1 564 . 15 1 1 A 48 48 ASP N N 48 117.812 119.983 -2.171 1
1 565 . 15 1 1 A 49 49 VAL H H 49 7.192 7.594 -0.402 1
1 566 . 15 1 1 A 49 49 VAL HA H 49 4.137 4.075 0.062 1
1 574 . 15 1 1 A 49 49 VAL C C 49 175.326 175.748 -0.422 1
1 575 . 15 1 1 A 49 49 VAL CA C 49 62.987 62.108 0.879 1
1 576 . 15 1 1 A 49 49 VAL CB C 49 32.759 32.508 0.251 1
1 579 . 15 1 1 A 49 49 VAL N N 49 118.329 116.724 1.605 1
1 580 . 15 1 1 A 50 50 GLU H H 50 8.417 8.730 -0.313 1
1 581 . 15 1 1 A 50 50 GLU HA H 50 4.526 4.997 -0.471 1
1 586 . 15 1 1 A 50 50 GLU C C 50 175.395 175.558 -0.163 1
1 587 . 15 1 1 A 50 50 GLU CA C 50 56.376 55.320 1.056 1
1 588 . 15 1 1 A 50 50 GLU CB C 50 29.216 30.896 -1.680 1
1 590 . 15 1 1 A 50 50 GLU N N 50 124.475 122.720 1.755 1
1 591 . 15 1 1 A 51 51 ILE H H 51 7.483 8.708 -1.225 1
1 592 . 15 1 1 A 51 51 ILE HA H 51 4.068 4.601 -0.533 1
1 602 . 15 1 1 A 51 51 ILE C C 51 175.838 174.867 0.971 1
1 603 . 15 1 1 A 51 51 ILE CA C 51 60.572 59.428 1.144 1
1 604 . 15 1 1 A 51 51 ILE CB C 51 41.701 41.750 -0.049 1
1 608 . 15 1 1 A 51 51 ILE N N 51 125.565 124.336 1.229 1
1 609 . 15 1 1 A 52 52 GLN H H 52 9.055 8.534 0.521 1
1 610 . 15 1 1 A 52 52 GLN HA H 52 4.042 3.892 0.150 1
1 617 . 15 1 1 A 52 52 GLN C C 52 176.011 176.273 -0.262 1
1 618 . 15 1 1 A 52 52 GLN CA C 52 58.264 57.550 0.714 1
1 619 . 15 1 1 A 52 52 GLN CB C 52 28.458 28.456 0.002 1
1 621 . 15 1 1 A 52 52 GLN N N 52 130.354 124.963 5.391 1
1 623 . 15 1 1 A 53 53 ASP H H 53 9.244 9.523 -0.279 1
1 624 . 15 1 1 A 53 53 ASP HA H 53 4.529 4.347 0.182 1
1 627 . 15 1 1 A 53 53 ASP C C 53 176.419 175.783 0.636 1
1 628 . 15 1 1 A 53 53 ASP CA C 53 56.605 55.499 1.106 1
1 629 . 15 1 1 A 53 53 ASP CB C 53 39.788 39.034 0.754 1
1 630 . 15 1 1 A 53 53 ASP N N 53 119.289 122.119 -2.830 1
1 631 . 15 1 1 A 54 54 TYR H H 54 7.920 8.431 -0.511 1
1 632 . 15 1 1 A 54 54 TYR HA H 54 4.388 4.375 0.013 1
1 639 . 15 1 1 A 54 54 TYR C C 54 178.807 177.654 1.153 1
1 640 . 15 1 1 A 54 54 TYR CA C 54 57.557 61.134 -3.577 1
1 641 . 15 1 1 A 54 54 TYR CB C 54 37.745 38.646 -0.901 1
1 646 . 15 1 1 A 54 54 TYR N N 54 120.852 119.280 1.572 1
1 647 . 15 1 1 A 55 55 ASP H H 55 8.942 8.077 0.865 1
1 648 . 15 1 1 A 55 55 ASP HA H 55 4.155 4.144 0.011 1
1 651 . 15 1 1 A 55 55 ASP C C 55 178.492 179.173 -0.681 1
1 652 . 15 1 1 A 55 55 ASP CA C 55 57.839 57.166 0.673 1
1 653 . 15 1 1 A 55 55 ASP CB C 55 39.955 40.210 -0.255 1
1 654 . 15 1 1 A 55 55 ASP N N 55 114.884 120.159 -5.275 1
1 655 . 15 1 1 A 56 56 LEU H H 56 7.585 8.468 -0.883 1
1 656 . 15 1 1 A 56 56 LEU HA H 56 3.968 3.952 0.016 1
1 666 . 15 1 1 A 56 56 LEU C C 56 180.237 179.224 1.013 1
1 667 . 15 1 1 A 56 56 LEU CA C 56 57.892 58.226 -0.334 1
1 668 . 15 1 1 A 56 56 LEU CB C 56 41.204 41.999 -0.795 1
1 672 . 15 1 1 A 56 56 LEU N N 56 121.328 120.325 1.003 1
1 673 . 15 1 1 A 57 57 PHE H H 57 7.735 8.144 -0.409 1
1 674 . 15 1 1 A 57 57 PHE HA H 57 4.182 4.175 0.007 1
1 682 . 15 1 1 A 57 57 PHE C C 57 179.437 178.100 1.337 1
1 683 . 15 1 1 A 57 57 PHE CA C 57 62.756 61.069 1.687 1
1 684 . 15 1 1 A 57 57 PHE CB C 57 38.803 39.015 -0.212 1
1 690 . 15 1 1 A 57 57 PHE N N 57 118.200 117.462 0.738 1
1 691 . 15 1 1 A 58 58 LYS H H 58 8.834 7.788 1.046 1
1 692 . 15 1 1 A 58 58 LYS HA H 58 3.515 3.564 -0.049 1
1 701 . 15 1 1 A 58 58 LYS C C 58 177.565 178.956 -1.391 1
1 702 . 15 1 1 A 58 58 LYS CA C 58 60.851 59.839 1.012 1
1 703 . 15 1 1 A 58 58 LYS CB C 58 33.102 31.895 1.207 1
1 707 . 15 1 1 A 58 58 LYS N N 58 123.283 117.813 5.470 1
1 708 . 15 1 1 A 59 59 GLN H H 59 7.955 8.154 -0.199 1
1 709 . 15 1 1 A 59 59 GLN HA H 59 4.104 4.214 -0.110 1
1 716 . 15 1 1 A 59 59 GLN C C 59 178.948 178.745 0.203 1
1 717 . 15 1 1 A 59 59 GLN CA C 59 59.249 58.903 0.346 1
1 718 . 15 1 1 A 59 59 GLN CB C 59 28.185 28.670 -0.485 1
1 720 . 15 1 1 A 59 59 GLN N N 59 117.353 119.858 -2.505 1
1 722 . 15 1 1 A 60 60 SER H H 60 7.821 8.291 -0.470 1
1 723 . 15 1 1 A 60 60 SER HA H 60 4.233 4.117 0.116 1
1 726 . 15 1 1 A 60 60 SER C C 60 176.403 175.267 1.136 1
1 727 . 15 1 1 A 60 60 SER CA C 60 60.954 62.312 -1.358 1
1 728 . 15 1 1 A 60 60 SER CB C 60 63.007 63.264 -0.257 1
1 729 . 15 1 1 A 60 60 SER N N 60 112.660 117.677 -5.017 1
1 730 . 15 1 1 A 61 61 TYR H H 61 7.858 8.700 -0.842 1
1 731 . 15 1 1 A 61 61 TYR HA H 61 4.084 4.019 0.065 1
1 734 . 15 1 1 A 61 61 TYR C C 61 177.358 177.390 -0.032 1
1 735 . 15 1 1 A 61 61 TYR CA C 61 61.217 61.983 -0.766 1
1 736 . 15 1 1 A 61 61 TYR CB C 61 38.470 38.390 0.080 1
1 739 . 15 1 1 A 61 61 TYR N N 61 122.550 122.021 0.529 1
1 740 . 15 1 1 A 62 62 TRP H H 62 7.754 7.614 0.140 1
1 741 . 15 1 1 A 62 62 TRP HA H 62 4.273 4.184 0.089 1
1 750 . 15 1 1 A 62 62 TRP C C 62 176.694 179.007 -2.313 1
1 751 . 15 1 1 A 62 62 TRP CA C 62 58.061 60.571 -2.510 1
1 752 . 15 1 1 A 62 62 TRP CB C 62 30.047 29.240 0.807 1
1 758 . 15 1 1 A 62 62 TRP N N 62 116.320 119.566 -3.246 1
1 760 . 15 1 1 A 63 63 ASN H H 63 7.800 8.330 -0.530 1
1 761 . 15 1 1 A 63 63 ASN HA H 63 4.688 4.370 0.318 1
1 766 . 15 1 1 A 63 63 ASN C C 63 174.055 177.509 -3.454 1
1 767 . 15 1 1 A 63 63 ASN CA C 63 53.484 56.544 -3.060 1
1 768 . 15 1 1 A 63 63 ASN CB C 63 38.645 37.910 0.735 1
1 769 . 15 1 1 A 63 63 ASN N N 63 117.543 117.622 -0.079 1
1 1 . 16 1 1 A 6 6 SER HA H 6 4.447 4.544 -0.097 1
1 3 . 16 1 1 A 6 6 SER C C 6 174.919 174.305 0.614 1
1 4 . 16 1 1 A 6 6 SER CA C 6 58.632 58.145 0.487 1
1 5 . 16 1 1 A 6 6 SER CB C 6 63.826 63.490 0.336 1
1 6 . 16 1 1 A 7 7 GLY H H 7 8.381 7.929 0.452 1
1 7 . 16 1 1 A 7 7 GLY HA2 H 7 3.956 4.078 -0.122 1
1 8 . 16 1 1 A 7 7 GLY HA3 H 7 3.907 4.078 -0.171 1
1 9 . 16 1 1 A 7 7 GLY C C 7 173.610 172.617 0.993 1
1 10 . 16 1 1 A 7 7 GLY CA C 7 45.128 44.814 0.314 1
1 11 . 16 1 1 A 7 7 GLY N N 7 110.672 108.341 2.331 1
1 12 . 16 1 1 A 8 8 LYS H H 8 7.989 8.345 -0.356 1
1 13 . 16 1 1 A 8 8 LYS HA H 8 4.430 4.688 -0.258 1
1 22 . 16 1 1 A 8 8 LYS C C 8 174.322 174.019 0.303 1
1 23 . 16 1 1 A 8 8 LYS CA C 8 53.436 53.063 0.373 1
1 24 . 16 1 1 A 8 8 LYS CB C 8 31.892 32.910 -1.018 1
1 28 . 16 1 1 A 8 8 LYS N N 8 121.270 120.860 0.410 1
1 29 . 16 1 1 A 9 9 PRO HA H 9 4.131 4.639 -0.508 1
1 36 . 16 1 1 A 9 9 PRO C C 9 177.331 176.192 1.139 1
1 37 . 16 1 1 A 9 9 PRO CA C 9 62.970 62.592 0.378 1
1 38 . 16 1 1 A 9 9 PRO CB C 9 31.894 33.147 -1.253 1
1 41 . 16 1 1 A 10 10 GLU H H 10 8.649 8.407 0.242 1
1 42 . 16 1 1 A 10 10 GLU HA H 10 3.960 4.161 -0.201 1
1 47 . 16 1 1 A 10 10 GLU C C 10 175.849 178.782 -2.933 1
1 48 . 16 1 1 A 10 10 GLU CA C 10 58.051 58.488 -0.437 1
1 49 . 16 1 1 A 10 10 GLU CB C 10 29.627 30.622 -0.995 1
1 51 . 16 1 1 A 10 10 GLU N N 10 120.707 119.416 1.291 1
1 52 . 16 1 1 A 11 11 TRP H H 11 7.131 8.276 -1.145 1
1 53 . 16 1 1 A 11 11 TRP HA H 11 4.548 4.503 0.045 1
1 62 . 16 1 1 A 11 11 TRP C C 11 176.362 176.743 -0.381 1
1 63 . 16 1 1 A 11 11 TRP CA C 11 55.758 59.964 -4.206 1
1 64 . 16 1 1 A 11 11 TRP CB C 11 29.285 28.244 1.041 1
1 70 . 16 1 1 A 11 11 TRP N N 11 115.904 119.312 -3.408 1
1 72 . 16 1 1 A 12 12 MET H H 12 7.289 6.909 0.380 1
1 73 . 16 1 1 A 12 12 MET HA H 12 4.054 3.928 0.126 1
1 81 . 16 1 1 A 12 12 MET C C 12 174.357 175.876 -1.519 1
1 82 . 16 1 1 A 12 12 MET CA C 12 55.900 54.408 1.492 1
1 83 . 16 1 1 A 12 12 MET CB C 12 31.808 31.763 0.045 1
1 86 . 16 1 1 A 12 12 MET N N 12 122.155 120.819 1.336 1
1 87 . 16 1 1 A 13 13 MET H H 13 8.569 9.051 -0.482 1
1 88 . 16 1 1 A 13 13 MET HA H 13 4.890 5.272 -0.382 1
1 96 . 16 1 1 A 13 13 MET C C 13 175.898 174.568 1.330 1
1 97 . 16 1 1 A 13 13 MET CA C 13 53.784 53.752 0.032 1
1 98 . 16 1 1 A 13 13 MET CB C 13 35.100 37.039 -1.939 1
1 101 . 16 1 1 A 13 13 MET N N 13 121.084 122.300 -1.216 1
1 102 . 16 1 1 A 14 14 ILE H H 14 9.144 8.644 0.500 1
1 103 . 16 1 1 A 14 14 ILE HA H 14 2.912 4.338 -1.426 1
1 113 . 16 1 1 A 14 14 ILE C C 14 174.810 176.094 -1.284 1
1 114 . 16 1 1 A 14 14 ILE CA C 14 63.803 60.316 3.487 1
1 115 . 16 1 1 A 14 14 ILE CB C 14 38.974 38.660 0.314 1
1 119 . 16 1 1 A 14 14 ILE N N 14 125.919 121.068 4.851 1
1 120 . 16 1 1 A 15 15 HIS H H 15 8.926 8.556 0.370 1
1 121 . 16 1 1 A 15 15 HIS HA H 15 4.690 4.213 0.477 1
1 125 . 16 1 1 A 15 15 HIS C C 15 174.715 174.954 -0.239 1
1 126 . 16 1 1 A 15 15 HIS CA C 15 55.829 60.109 -4.280 1
1 127 . 16 1 1 A 15 15 HIS CB C 15 33.853 30.525 3.328 1
1 129 . 16 1 1 A 15 15 HIS N N 15 125.470 128.392 -2.922 1
1 130 . 16 1 1 A 16 16 ARG H H 16 7.529 7.659 -0.130 1
1 131 . 16 1 1 A 16 16 ARG HA H 16 4.193 4.955 -0.762 1
1 138 . 16 1 1 A 16 16 ARG C C 16 173.315 174.749 -1.434 1
1 139 . 16 1 1 A 16 16 ARG CA C 16 55.329 55.490 -0.161 1
1 140 . 16 1 1 A 16 16 ARG CB C 16 33.252 32.896 0.356 1
1 143 . 16 1 1 A 16 16 ARG N N 16 111.315 113.923 -2.608 1
1 144 . 16 1 1 A 17 17 ILE H H 17 8.396 9.044 -0.648 1
1 145 . 16 1 1 A 17 17 ILE HA H 17 4.052 3.994 0.058 1
1 155 . 16 1 1 A 17 17 ILE C C 17 175.341 175.497 -0.156 1
1 156 . 16 1 1 A 17 17 ILE CA C 17 61.859 61.794 0.065 1
1 157 . 16 1 1 A 17 17 ILE CB C 17 37.952 36.921 1.031 1
1 161 . 16 1 1 A 17 17 ILE N N 17 121.157 123.993 -2.836 1
1 162 . 16 1 1 A 18 18 LEU H H 18 9.102 8.664 0.438 1
1 163 . 16 1 1 A 18 18 LEU HA H 18 4.253 4.101 0.152 1
1 173 . 16 1 1 A 18 18 LEU C C 18 176.622 176.488 0.134 1
1 174 . 16 1 1 A 18 18 LEU CA C 18 55.422 56.846 -1.424 1
1 175 . 16 1 1 A 18 18 LEU CB C 18 43.410 42.180 1.230 1
1 179 . 16 1 1 A 18 18 LEU N N 18 124.326 129.810 -5.484 1
1 180 . 16 1 1 A 19 19 ASN H H 19 7.343 7.423 -0.080 1
1 181 . 16 1 1 A 19 19 ASN HA H 19 5.227 5.065 0.162 1
1 186 . 16 1 1 A 19 19 ASN C C 19 172.527 173.282 -0.755 1
1 187 . 16 1 1 A 19 19 ASN CA C 19 51.140 52.326 -1.186 1
1 188 . 16 1 1 A 19 19 ASN CB C 19 40.795 41.769 -0.974 1
1 189 . 16 1 1 A 19 19 ASN N N 19 113.895 112.099 1.796 1
1 191 . 16 1 1 A 20 20 HIS H H 20 8.816 8.877 -0.061 1
1 192 . 16 1 1 A 20 20 HIS HA H 20 5.875 6.062 -0.187 1
1 197 . 16 1 1 A 20 20 HIS C C 20 173.013 172.711 0.302 1
1 198 . 16 1 1 A 20 20 HIS CA C 20 55.932 54.341 1.591 1
1 199 . 16 1 1 A 20 20 HIS CB C 20 35.190 33.528 1.662 1
1 202 . 16 1 1 A 20 20 HIS N N 20 118.537 116.715 1.822 1
1 203 . 16 1 1 A 21 21 SER H H 21 9.203 8.896 0.307 1
1 204 . 16 1 1 A 21 21 SER HA H 21 4.399 4.829 -0.430 1
1 207 . 16 1 1 A 21 21 SER C C 21 172.382 173.090 -0.708 1
1 208 . 16 1 1 A 21 21 SER CA C 21 57.063 56.372 0.691 1
1 209 . 16 1 1 A 21 21 SER CB C 21 65.417 65.246 0.171 1
1 210 . 16 1 1 A 21 21 SER N N 21 115.006 114.592 0.414 1
1 211 . 16 1 1 A 22 22 VAL H H 22 8.493 8.790 -0.297 1
1 212 . 16 1 1 A 22 22 VAL HA H 22 4.961 4.698 0.263 1
1 220 . 16 1 1 A 22 22 VAL C C 22 176.199 175.362 0.837 1
1 221 . 16 1 1 A 22 22 VAL CA C 22 61.066 61.423 -0.357 1
1 222 . 16 1 1 A 22 22 VAL CB C 22 33.732 32.642 1.090 1
1 225 . 16 1 1 A 22 22 VAL N N 22 124.080 125.705 -1.625 1
1 226 . 16 1 1 A 23 23 ASP H H 23 8.667 8.099 0.568 1
1 227 . 16 1 1 A 23 23 ASP HA H 23 4.688 4.520 0.168 1
1 230 . 16 1 1 A 23 23 ASP C C 23 178.629 177.144 1.485 1
1 231 . 16 1 1 A 23 23 ASP CA C 23 52.814 53.341 -0.527 1
1 232 . 16 1 1 A 23 23 ASP CB C 23 41.525 41.778 -0.253 1
1 233 . 16 1 1 A 23 23 ASP N N 23 127.673 128.475 -0.802 1
1 234 . 16 1 1 A 24 24 LYS H H 24 8.242 8.737 -0.495 1
1 235 . 16 1 1 A 24 24 LYS HA H 24 4.077 3.964 0.113 1
1 244 . 16 1 1 A 24 24 LYS C C 24 177.637 178.455 -0.818 1
1 245 . 16 1 1 A 24 24 LYS CA C 24 58.419 59.455 -1.036 1
1 246 . 16 1 1 A 24 24 LYS CB C 24 32.057 32.002 0.055 1
1 250 . 16 1 1 A 24 24 LYS N N 24 116.378 118.726 -2.348 1
1 251 . 16 1 1 A 25 25 LYS H H 25 8.128 7.620 0.508 1
1 252 . 16 1 1 A 25 25 LYS HA H 25 4.379 4.070 0.309 1
1 261 . 16 1 1 A 25 25 LYS C C 25 176.600 176.480 0.120 1
1 262 . 16 1 1 A 25 25 LYS CA C 25 55.411 57.306 -1.895 1
1 263 . 16 1 1 A 25 25 LYS CB C 25 32.516 32.850 -0.334 1
1 267 . 16 1 1 A 25 25 LYS N N 25 118.184 117.365 0.819 1
1 268 . 16 1 1 A 26 26 GLY H H 26 8.040 7.748 0.292 1
1 269 . 16 1 1 A 26 26 GLY HA2 H 26 4.125 4.055 0.070 1
1 270 . 16 1 1 A 26 26 GLY HA3 H 26 3.428 4.079 -0.651 1
1 271 . 16 1 1 A 26 26 GLY C C 26 174.048 174.681 -0.633 1
1 272 . 16 1 1 A 26 26 GLY CA C 26 45.235 44.956 0.279 1
1 273 . 16 1 1 A 26 26 GLY N N 26 108.208 105.941 2.267 1
1 274 . 16 1 1 A 27 27 HIS H H 27 8.599 8.075 0.524 1
1 275 . 16 1 1 A 27 27 HIS HA H 27 4.491 4.510 -0.019 1
1 279 . 16 1 1 A 27 27 HIS C C 27 174.516 175.039 -0.523 1
1 280 . 16 1 1 A 27 27 HIS CA C 27 55.935 56.594 -0.659 1
1 281 . 16 1 1 A 27 27 HIS CB C 27 29.257 30.656 -1.399 1
1 283 . 16 1 1 A 27 27 HIS N N 27 123.031 118.665 4.366 1
1 284 . 16 1 1 A 28 28 VAL H H 28 8.330 8.592 -0.262 1
1 285 . 16 1 1 A 28 28 VAL HA H 28 4.776 4.281 0.495 1
1 293 . 16 1 1 A 28 28 VAL C C 28 174.798 175.454 -0.656 1
1 294 . 16 1 1 A 28 28 VAL CA C 28 62.070 62.110 -0.040 1
1 295 . 16 1 1 A 28 28 VAL CB C 28 32.965 31.906 1.059 1
1 298 . 16 1 1 A 28 28 VAL N N 28 127.641 123.150 4.491 1
1 299 . 16 1 1 A 29 29 HIS H H 29 8.887 9.568 -0.681 1
1 300 . 16 1 1 A 29 29 HIS HA H 29 5.071 5.396 -0.325 1
1 305 . 16 1 1 A 29 29 HIS C C 29 173.998 173.890 0.108 1
1 306 . 16 1 1 A 29 29 HIS CA C 29 54.841 53.629 1.212 1
1 307 . 16 1 1 A 29 29 HIS CB C 29 33.921 32.919 1.002 1
1 310 . 16 1 1 A 29 29 HIS N N 29 124.946 125.860 -0.914 1
1 311 . 16 1 1 A 30 30 TYR H H 30 9.630 9.533 0.097 1
1 312 . 16 1 1 A 30 30 TYR HA H 30 5.092 5.054 0.038 1
1 319 . 16 1 1 A 30 30 TYR C C 30 173.451 174.652 -1.201 1
1 320 . 16 1 1 A 30 30 TYR CA C 30 57.627 56.518 1.109 1
1 321 . 16 1 1 A 30 30 TYR CB C 30 41.124 40.901 0.223 1
1 326 . 16 1 1 A 30 30 TYR N N 30 119.246 121.481 -2.235 1
1 327 . 16 1 1 A 31 31 LEU H H 31 7.804 8.782 -0.978 1
1 328 . 16 1 1 A 31 31 LEU HA H 31 3.561 3.484 0.077 1
1 338 . 16 1 1 A 31 31 LEU C C 31 173.742 174.466 -0.724 1
1 339 . 16 1 1 A 31 31 LEU CA C 31 53.120 54.049 -0.929 1
1 340 . 16 1 1 A 31 31 LEU CB C 31 39.479 40.706 -1.227 1
1 344 . 16 1 1 A 31 31 LEU N N 31 125.982 126.191 -0.209 1
1 345 . 16 1 1 A 32 32 ILE H H 32 8.861 8.018 0.843 1
1 346 . 16 1 1 A 32 32 ILE HA H 32 3.402 3.990 -0.588 1
1 356 . 16 1 1 A 32 32 ILE C C 32 173.769 174.556 -0.787 1
1 357 . 16 1 1 A 32 32 ILE CA C 32 61.356 61.249 0.107 1
1 358 . 16 1 1 A 32 32 ILE CB C 32 39.405 37.405 2.000 1
1 362 . 16 1 1 A 32 32 ILE N N 32 129.827 127.101 2.726 1
1 363 . 16 1 1 A 33 33 LYS H H 33 7.951 8.585 -0.634 1
1 364 . 16 1 1 A 33 33 LYS HA H 33 4.111 4.534 -0.423 1
1 373 . 16 1 1 A 33 33 LYS C C 33 174.920 175.058 -0.138 1
1 374 . 16 1 1 A 33 33 LYS CA C 33 54.849 54.604 0.245 1
1 375 . 16 1 1 A 33 33 LYS CB C 33 33.162 33.584 -0.422 1
1 379 . 16 1 1 A 33 33 LYS N N 33 124.612 127.317 -2.705 1
1 380 . 16 1 1 A 34 34 TRP H H 34 8.145 8.299 -0.154 1
1 381 . 16 1 1 A 34 34 TRP HA H 34 4.690 4.520 0.170 1
1 390 . 16 1 1 A 34 34 TRP C C 34 177.144 177.227 -0.083 1
1 391 . 16 1 1 A 34 34 TRP CA C 34 55.582 58.600 -3.018 1
1 392 . 16 1 1 A 34 34 TRP CB C 34 30.832 29.577 1.255 1
1 398 . 16 1 1 A 34 34 TRP N N 34 132.766 127.744 5.022 1
1 400 . 16 1 1 A 35 35 ARG H H 35 9.199 8.694 0.505 1
1 401 . 16 1 1 A 35 35 ARG HA H 35 3.742 4.180 -0.438 1
1 408 . 16 1 1 A 35 35 ARG C C 35 176.307 178.191 -1.884 1
1 409 . 16 1 1 A 35 35 ARG CA C 35 58.738 60.188 -1.450 1
1 410 . 16 1 1 A 35 35 ARG CB C 35 30.254 30.288 -0.034 1
1 413 . 16 1 1 A 35 35 ARG N N 35 124.433 126.333 -1.900 1
1 414 . 16 1 1 A 36 36 ASP H H 36 8.812 8.391 0.421 1
1 415 . 16 1 1 A 36 36 ASP HA H 36 4.294 4.476 -0.182 1
1 418 . 16 1 1 A 36 36 ASP C C 36 174.269 176.913 -2.644 1
1 419 . 16 1 1 A 36 36 ASP CA C 36 55.948 57.628 -1.680 1
1 420 . 16 1 1 A 36 36 ASP CB C 36 39.960 41.086 -1.126 1
1 421 . 16 1 1 A 36 36 ASP N N 36 115.622 119.558 -3.936 1
1 422 . 16 1 1 A 37 37 LEU H H 37 7.372 7.993 -0.621 1
1 423 . 16 1 1 A 37 37 LEU HA H 37 4.966 4.522 0.444 1
1 433 . 16 1 1 A 37 37 LEU C C 37 174.638 174.880 -0.242 1
1 434 . 16 1 1 A 37 37 LEU CA C 37 51.968 53.655 -1.687 1
1 435 . 16 1 1 A 37 37 LEU CB C 37 44.421 41.354 3.067 1
1 439 . 16 1 1 A 37 37 LEU N N 37 119.137 120.385 -1.248 1
1 440 . 16 1 1 A 38 38 PRO HA H 38 4.559 4.621 -0.062 1
1 447 . 16 1 1 A 38 38 PRO C C 38 178.256 176.462 1.794 1
1 448 . 16 1 1 A 38 38 PRO CA C 38 62.332 62.408 -0.076 1
1 449 . 16 1 1 A 38 38 PRO CB C 38 33.232 33.376 -0.144 1
1 452 . 16 1 1 A 39 39 TYR H H 39 8.933 8.900 0.033 1
1 453 . 16 1 1 A 39 39 TYR HA H 39 3.758 4.150 -0.392 1
1 460 . 16 1 1 A 39 39 TYR C C 39 177.241 177.925 -0.684 1
1 461 . 16 1 1 A 39 39 TYR CA C 39 62.934 61.173 1.761 1
1 462 . 16 1 1 A 39 39 TYR CB C 39 38.451 38.800 -0.349 1
1 467 . 16 1 1 A 39 39 TYR N N 39 122.113 121.691 0.422 1
1 468 . 16 1 1 A 40 40 ASP H H 40 8.439 8.268 0.171 1
1 469 . 16 1 1 A 40 40 ASP HA H 40 4.407 4.434 -0.027 1
1 472 . 16 1 1 A 40 40 ASP C C 40 176.645 177.054 -0.409 1
1 473 . 16 1 1 A 40 40 ASP CA C 40 55.335 56.052 -0.717 1
1 474 . 16 1 1 A 40 40 ASP CB C 40 39.476 40.403 -0.927 1
1 475 . 16 1 1 A 40 40 ASP N N 40 115.019 119.283 -4.264 1
1 476 . 16 1 1 A 41 41 GLN H H 41 7.761 7.700 0.061 1
1 477 . 16 1 1 A 41 41 GLN HA H 41 4.457 4.438 0.019 1
1 484 . 16 1 1 A 41 41 GLN C C 41 175.665 175.742 -0.077 1
1 485 . 16 1 1 A 41 41 GLN CA C 41 55.031 55.134 -0.103 1
1 486 . 16 1 1 A 41 41 GLN CB C 41 29.606 29.876 -0.270 1
1 488 . 16 1 1 A 41 41 GLN N N 41 117.630 116.893 0.737 1
1 490 . 16 1 1 A 42 42 ALA H H 42 7.379 7.002 0.377 1
1 491 . 16 1 1 A 42 42 ALA HA H 42 4.776 4.150 0.626 1
1 495 . 16 1 1 A 42 42 ALA C C 42 177.103 177.224 -0.121 1
1 496 . 16 1 1 A 42 42 ALA CA C 42 53.572 52.789 0.783 1
1 497 . 16 1 1 A 42 42 ALA CB C 42 18.951 18.849 0.102 1
1 498 . 16 1 1 A 42 42 ALA N N 42 123.425 124.124 -0.699 1
1 499 . 16 1 1 A 43 43 SER H H 43 8.521 8.033 0.488 1
1 500 . 16 1 1 A 43 43 SER HA H 43 4.861 4.933 -0.072 1
1 503 . 16 1 1 A 43 43 SER C C 43 172.947 173.126 -0.179 1
1 504 . 16 1 1 A 43 43 SER CA C 43 56.852 57.479 -0.627 1
1 505 . 16 1 1 A 43 43 SER CB C 43 66.734 66.340 0.394 1
1 506 . 16 1 1 A 43 43 SER N N 43 115.967 115.672 0.295 1
1 507 . 16 1 1 A 44 44 TRP H H 44 8.699 8.901 -0.202 1
1 508 . 16 1 1 A 44 44 TRP HA H 44 5.081 4.844 0.237 1
1 517 . 16 1 1 A 44 44 TRP C C 44 177.207 176.340 0.867 1
1 518 . 16 1 1 A 44 44 TRP CA C 44 56.648 57.610 -0.962 1
1 519 . 16 1 1 A 44 44 TRP CB C 44 29.592 30.979 -1.387 1
1 525 . 16 1 1 A 44 44 TRP N N 44 123.015 124.529 -1.514 1
1 527 . 16 1 1 A 45 45 GLU H H 45 9.773 9.023 0.750 1
1 528 . 16 1 1 A 45 45 GLU HA H 45 5.156 4.905 0.251 1
1 533 . 16 1 1 A 45 45 GLU C C 45 176.249 176.314 -0.065 1
1 534 . 16 1 1 A 45 45 GLU CA C 45 53.378 54.722 -1.344 1
1 535 . 16 1 1 A 45 45 GLU CB C 45 31.950 32.608 -0.658 1
1 537 . 16 1 1 A 45 45 GLU N N 45 122.799 122.313 0.486 1
1 538 . 16 1 1 A 46 46 SER H H 46 9.121 8.748 0.373 1
1 539 . 16 1 1 A 46 46 SER HA H 46 4.106 4.444 -0.338 1
1 542 . 16 1 1 A 46 46 SER C C 46 178.218 176.169 2.049 1
1 543 . 16 1 1 A 46 46 SER CA C 46 58.791 57.681 1.110 1
1 544 . 16 1 1 A 46 46 SER CB C 46 63.100 64.980 -1.880 1
1 545 . 16 1 1 A 46 46 SER N N 46 116.892 120.361 -3.469 1
1 546 . 16 1 1 A 47 47 GLU H H 47 8.588 8.593 -0.005 1
1 547 . 16 1 1 A 47 47 GLU HA H 47 4.327 4.854 -0.527 1
1 552 . 16 1 1 A 47 47 GLU C C 47 174.707 177.004 -2.297 1
1 553 . 16 1 1 A 47 47 GLU CA C 47 58.693 56.904 1.789 1
1 554 . 16 1 1 A 47 47 GLU CB C 47 29.990 29.835 0.155 1
1 556 . 16 1 1 A 47 47 GLU N N 47 125.534 119.296 6.238 1
1 557 . 16 1 1 A 48 48 ASP H H 48 8.415 8.164 0.251 1
1 558 . 16 1 1 A 48 48 ASP HA H 48 4.847 4.843 0.004 1
1 561 . 16 1 1 A 48 48 ASP C C 48 176.853 175.978 0.875 1
1 562 . 16 1 1 A 48 48 ASP CA C 48 54.472 54.642 -0.170 1
1 563 . 16 1 1 A 48 48 ASP CB C 48 41.795 41.777 0.018 1
1 564 . 16 1 1 A 48 48 ASP N N 48 117.812 119.965 -2.153 1
1 565 . 16 1 1 A 49 49 VAL H H 49 7.192 7.669 -0.477 1
1 566 . 16 1 1 A 49 49 VAL HA H 49 4.137 4.095 0.042 1
1 574 . 16 1 1 A 49 49 VAL C C 49 175.326 175.456 -0.130 1
1 575 . 16 1 1 A 49 49 VAL CA C 49 62.987 62.167 0.820 1
1 576 . 16 1 1 A 49 49 VAL CB C 49 32.759 32.580 0.179 1
1 579 . 16 1 1 A 49 49 VAL N N 49 118.329 116.763 1.566 1
1 580 . 16 1 1 A 50 50 GLU H H 50 8.417 8.775 -0.358 1
1 581 . 16 1 1 A 50 50 GLU HA H 50 4.526 5.056 -0.530 1
1 586 . 16 1 1 A 50 50 GLU C C 50 175.395 175.600 -0.205 1
1 587 . 16 1 1 A 50 50 GLU CA C 50 56.376 55.463 0.913 1
1 588 . 16 1 1 A 50 50 GLU CB C 50 29.216 31.071 -1.855 1
1 590 . 16 1 1 A 50 50 GLU N N 50 124.475 123.214 1.261 1
1 591 . 16 1 1 A 51 51 ILE H H 51 7.483 8.588 -1.105 1
1 592 . 16 1 1 A 51 51 ILE HA H 51 4.068 4.604 -0.536 1
1 602 . 16 1 1 A 51 51 ILE C C 51 175.838 174.813 1.025 1
1 603 . 16 1 1 A 51 51 ILE CA C 51 60.572 59.493 1.079 1
1 604 . 16 1 1 A 51 51 ILE CB C 51 41.701 41.664 0.037 1
1 608 . 16 1 1 A 51 51 ILE N N 51 125.565 124.656 0.909 1
1 609 . 16 1 1 A 52 52 GLN H H 52 9.055 8.425 0.630 1
1 610 . 16 1 1 A 52 52 GLN HA H 52 4.042 3.924 0.118 1
1 617 . 16 1 1 A 52 52 GLN C C 52 176.011 176.251 -0.240 1
1 618 . 16 1 1 A 52 52 GLN CA C 52 58.264 57.364 0.900 1
1 619 . 16 1 1 A 52 52 GLN CB C 52 28.458 28.334 0.124 1
1 621 . 16 1 1 A 52 52 GLN N N 52 130.354 124.238 6.116 1
1 623 . 16 1 1 A 53 53 ASP H H 53 9.244 9.388 -0.144 1
1 624 . 16 1 1 A 53 53 ASP HA H 53 4.529 4.305 0.224 1
1 627 . 16 1 1 A 53 53 ASP C C 53 176.419 175.887 0.532 1
1 628 . 16 1 1 A 53 53 ASP CA C 53 56.605 55.549 1.056 1
1 629 . 16 1 1 A 53 53 ASP CB C 53 39.788 39.422 0.366 1
1 630 . 16 1 1 A 53 53 ASP N N 53 119.289 122.189 -2.900 1
1 631 . 16 1 1 A 54 54 TYR H H 54 7.920 8.332 -0.412 1
1 632 . 16 1 1 A 54 54 TYR HA H 54 4.388 4.356 0.032 1
1 639 . 16 1 1 A 54 54 TYR C C 54 178.807 177.655 1.152 1
1 640 . 16 1 1 A 54 54 TYR CA C 54 57.557 61.031 -3.474 1
1 641 . 16 1 1 A 54 54 TYR CB C 54 37.745 38.656 -0.911 1
1 646 . 16 1 1 A 54 54 TYR N N 54 120.852 119.238 1.614 1
1 647 . 16 1 1 A 55 55 ASP H H 55 8.942 8.039 0.903 1
1 648 . 16 1 1 A 55 55 ASP HA H 55 4.155 4.233 -0.078 1
1 651 . 16 1 1 A 55 55 ASP C C 55 178.492 179.132 -0.640 1
1 652 . 16 1 1 A 55 55 ASP CA C 55 57.839 57.388 0.451 1
1 653 . 16 1 1 A 55 55 ASP CB C 55 39.955 40.275 -0.320 1
1 654 . 16 1 1 A 55 55 ASP N N 55 114.884 120.231 -5.347 1
1 655 . 16 1 1 A 56 56 LEU H H 56 7.585 8.322 -0.737 1
1 656 . 16 1 1 A 56 56 LEU HA H 56 3.968 3.917 0.051 1
1 666 . 16 1 1 A 56 56 LEU C C 56 180.237 179.211 1.026 1
1 667 . 16 1 1 A 56 56 LEU CA C 56 57.892 58.147 -0.255 1
1 668 . 16 1 1 A 56 56 LEU CB C 56 41.204 42.437 -1.233 1
1 672 . 16 1 1 A 56 56 LEU N N 56 121.328 120.737 0.591 1
1 673 . 16 1 1 A 57 57 PHE H H 57 7.735 8.249 -0.514 1
1 674 . 16 1 1 A 57 57 PHE HA H 57 4.182 4.192 -0.010 1
1 682 . 16 1 1 A 57 57 PHE C C 57 179.437 178.192 1.245 1
1 683 . 16 1 1 A 57 57 PHE CA C 57 62.756 61.172 1.584 1
1 684 . 16 1 1 A 57 57 PHE CB C 57 38.803 38.880 -0.077 1
1 690 . 16 1 1 A 57 57 PHE N N 57 118.200 117.419 0.781 1
1 691 . 16 1 1 A 58 58 LYS H H 58 8.834 7.829 1.005 1
1 692 . 16 1 1 A 58 58 LYS HA H 58 3.515 3.484 0.031 1
1 701 . 16 1 1 A 58 58 LYS C C 58 177.565 178.983 -1.418 1
1 702 . 16 1 1 A 58 58 LYS CA C 58 60.851 59.458 1.393 1
1 703 . 16 1 1 A 58 58 LYS CB C 58 33.102 31.915 1.187 1
1 707 . 16 1 1 A 58 58 LYS N N 58 123.283 117.912 5.371 1
1 708 . 16 1 1 A 59 59 GLN H H 59 7.955 7.743 0.212 1
1 709 . 16 1 1 A 59 59 GLN HA H 59 4.104 4.172 -0.068 1
1 716 . 16 1 1 A 59 59 GLN C C 59 178.948 178.211 0.737 1
1 717 . 16 1 1 A 59 59 GLN CA C 59 59.249 58.735 0.514 1
1 718 . 16 1 1 A 59 59 GLN CB C 59 28.185 28.566 -0.381 1
1 720 . 16 1 1 A 59 59 GLN N N 59 117.353 119.920 -2.567 1
1 722 . 16 1 1 A 60 60 SER H H 60 7.821 7.949 -0.128 1
1 723 . 16 1 1 A 60 60 SER HA H 60 4.233 4.130 0.103 1
1 726 . 16 1 1 A 60 60 SER C C 60 176.403 176.336 0.067 1
1 727 . 16 1 1 A 60 60 SER CA C 60 60.954 61.591 -0.637 1
1 728 . 16 1 1 A 60 60 SER CB C 60 63.007 63.302 -0.295 1
1 729 . 16 1 1 A 60 60 SER N N 60 112.660 114.527 -1.867 1
1 730 . 16 1 1 A 61 61 TYR H H 61 7.858 8.433 -0.575 1
1 731 . 16 1 1 A 61 61 TYR HA H 61 4.084 4.050 0.034 1
1 734 . 16 1 1 A 61 61 TYR C C 61 177.358 177.274 0.084 1
1 735 . 16 1 1 A 61 61 TYR CA C 61 61.217 61.935 -0.718 1
1 736 . 16 1 1 A 61 61 TYR CB C 61 38.470 38.282 0.188 1
1 739 . 16 1 1 A 61 61 TYR N N 61 122.550 121.875 0.675 1
1 740 . 16 1 1 A 62 62 TRP H H 62 7.754 7.692 0.062 1
1 741 . 16 1 1 A 62 62 TRP HA H 62 4.273 4.394 -0.121 1
1 750 . 16 1 1 A 62 62 TRP C C 62 176.694 178.934 -2.240 1
1 751 . 16 1 1 A 62 62 TRP CA C 62 58.061 60.677 -2.616 1
1 752 . 16 1 1 A 62 62 TRP CB C 62 30.047 29.438 0.609 1
1 758 . 16 1 1 A 62 62 TRP N N 62 116.320 119.476 -3.156 1
1 760 . 16 1 1 A 63 63 ASN H H 63 7.800 8.306 -0.506 1
1 761 . 16 1 1 A 63 63 ASN HA H 63 4.688 4.559 0.129 1
1 766 . 16 1 1 A 63 63 ASN C C 63 174.055 177.521 -3.466 1
1 767 . 16 1 1 A 63 63 ASN CA C 63 53.484 56.263 -2.779 1
1 768 . 16 1 1 A 63 63 ASN CB C 63 38.645 38.499 0.146 1
1 769 . 16 1 1 A 63 63 ASN N N 63 117.543 117.231 0.312 1
1 1 . 17 1 1 A 6 6 SER HA H 6 4.447 4.966 -0.519 1
1 3 . 17 1 1 A 6 6 SER C C 6 174.919 174.241 0.678 1
1 4 . 17 1 1 A 6 6 SER CA C 6 58.632 58.199 0.433 1
1 5 . 17 1 1 A 6 6 SER CB C 6 63.826 62.647 1.179 1
1 6 . 17 1 1 A 7 7 GLY H H 7 8.381 8.528 -0.147 1
1 7 . 17 1 1 A 7 7 GLY HA2 H 7 3.956 4.129 -0.173 1
1 8 . 17 1 1 A 7 7 GLY HA3 H 7 3.907 4.131 -0.224 1
1 9 . 17 1 1 A 7 7 GLY C C 7 173.610 172.723 0.887 1
1 10 . 17 1 1 A 7 7 GLY CA C 7 45.128 45.720 -0.592 1
1 11 . 17 1 1 A 7 7 GLY N N 7 110.672 112.874 -2.202 1
1 12 . 17 1 1 A 8 8 LYS H H 8 7.989 8.385 -0.396 1
1 13 . 17 1 1 A 8 8 LYS HA H 8 4.430 4.422 0.008 1
1 22 . 17 1 1 A 8 8 LYS C C 8 174.322 174.503 -0.181 1
1 23 . 17 1 1 A 8 8 LYS CA C 8 53.436 54.922 -1.486 1
1 24 . 17 1 1 A 8 8 LYS CB C 8 31.892 31.562 0.330 1
1 28 . 17 1 1 A 8 8 LYS N N 8 121.270 123.170 -1.900 1
1 29 . 17 1 1 A 9 9 PRO HA H 9 4.131 4.564 -0.433 1
1 36 . 17 1 1 A 9 9 PRO C C 9 177.331 176.303 1.028 1
1 37 . 17 1 1 A 9 9 PRO CA C 9 62.970 62.560 0.410 1
1 38 . 17 1 1 A 9 9 PRO CB C 9 31.894 32.923 -1.029 1
1 41 . 17 1 1 A 10 10 GLU H H 10 8.649 8.501 0.148 1
1 42 . 17 1 1 A 10 10 GLU HA H 10 3.960 4.128 -0.168 1
1 47 . 17 1 1 A 10 10 GLU C C 10 175.849 178.706 -2.857 1
1 48 . 17 1 1 A 10 10 GLU CA C 10 58.051 58.678 -0.627 1
1 49 . 17 1 1 A 10 10 GLU CB C 10 29.627 30.005 -0.378 1
1 51 . 17 1 1 A 10 10 GLU N N 10 120.707 120.403 0.304 1
1 52 . 17 1 1 A 11 11 TRP H H 11 7.131 8.235 -1.104 1
1 53 . 17 1 1 A 11 11 TRP HA H 11 4.548 4.493 0.055 1
1 62 . 17 1 1 A 11 11 TRP C C 11 176.362 176.773 -0.411 1
1 63 . 17 1 1 A 11 11 TRP CA C 11 55.758 59.983 -4.225 1
1 64 . 17 1 1 A 11 11 TRP CB C 11 29.285 28.128 1.157 1
1 70 . 17 1 1 A 11 11 TRP N N 11 115.904 119.051 -3.147 1
1 72 . 17 1 1 A 12 12 MET H H 12 7.289 6.978 0.311 1
1 73 . 17 1 1 A 12 12 MET HA H 12 4.054 3.867 0.187 1
1 81 . 17 1 1 A 12 12 MET C C 12 174.357 175.613 -1.256 1
1 82 . 17 1 1 A 12 12 MET CA C 12 55.900 53.999 1.901 1
1 83 . 17 1 1 A 12 12 MET CB C 12 31.808 31.915 -0.107 1
1 86 . 17 1 1 A 12 12 MET N N 12 122.155 121.070 1.085 1
1 87 . 17 1 1 A 13 13 MET H H 13 8.569 9.145 -0.576 1
1 88 . 17 1 1 A 13 13 MET HA H 13 4.890 5.144 -0.254 1
1 96 . 17 1 1 A 13 13 MET C C 13 175.898 174.843 1.055 1
1 97 . 17 1 1 A 13 13 MET CA C 13 53.784 53.975 -0.191 1
1 98 . 17 1 1 A 13 13 MET CB C 13 35.100 36.276 -1.176 1
1 101 . 17 1 1 A 13 13 MET N N 13 121.084 123.145 -2.061 1
1 102 . 17 1 1 A 14 14 ILE H H 14 9.144 8.562 0.582 1
1 103 . 17 1 1 A 14 14 ILE HA H 14 2.912 4.348 -1.436 1
1 113 . 17 1 1 A 14 14 ILE C C 14 174.810 176.038 -1.228 1
1 114 . 17 1 1 A 14 14 ILE CA C 14 63.803 60.548 3.255 1
1 115 . 17 1 1 A 14 14 ILE CB C 14 38.974 38.362 0.612 1
1 119 . 17 1 1 A 14 14 ILE N N 14 125.919 120.457 5.462 1
1 120 . 17 1 1 A 15 15 HIS H H 15 8.926 8.728 0.198 1
1 121 . 17 1 1 A 15 15 HIS HA H 15 4.690 4.194 0.496 1
1 125 . 17 1 1 A 15 15 HIS C C 15 174.715 174.887 -0.172 1
1 126 . 17 1 1 A 15 15 HIS CA C 15 55.829 60.063 -4.234 1
1 127 . 17 1 1 A 15 15 HIS CB C 15 33.853 30.664 3.189 1
1 129 . 17 1 1 A 15 15 HIS N N 15 125.470 128.426 -2.956 1
1 130 . 17 1 1 A 16 16 ARG H H 16 7.529 7.630 -0.101 1
1 131 . 17 1 1 A 16 16 ARG HA H 16 4.193 4.912 -0.719 1
1 138 . 17 1 1 A 16 16 ARG C C 16 173.315 174.450 -1.135 1
1 139 . 17 1 1 A 16 16 ARG CA C 16 55.329 55.432 -0.103 1
1 140 . 17 1 1 A 16 16 ARG CB C 16 33.252 32.539 0.713 1
1 143 . 17 1 1 A 16 16 ARG N N 16 111.315 113.624 -2.309 1
1 144 . 17 1 1 A 17 17 ILE H H 17 8.396 8.969 -0.573 1
1 145 . 17 1 1 A 17 17 ILE HA H 17 4.052 3.983 0.069 1
1 155 . 17 1 1 A 17 17 ILE C C 17 175.341 175.355 -0.014 1
1 156 . 17 1 1 A 17 17 ILE CA C 17 61.859 61.587 0.272 1
1 157 . 17 1 1 A 17 17 ILE CB C 17 37.952 36.678 1.274 1
1 161 . 17 1 1 A 17 17 ILE N N 17 121.157 123.777 -2.620 1
1 162 . 17 1 1 A 18 18 LEU H H 18 9.102 8.469 0.633 1
1 163 . 17 1 1 A 18 18 LEU HA H 18 4.253 3.970 0.283 1
1 173 . 17 1 1 A 18 18 LEU C C 18 176.622 176.393 0.229 1
1 174 . 17 1 1 A 18 18 LEU CA C 18 55.422 57.219 -1.797 1
1 175 . 17 1 1 A 18 18 LEU CB C 18 43.410 41.988 1.422 1
1 179 . 17 1 1 A 18 18 LEU N N 18 124.326 129.953 -5.627 1
1 180 . 17 1 1 A 19 19 ASN H H 19 7.343 7.412 -0.069 1
1 181 . 17 1 1 A 19 19 ASN HA H 19 5.227 4.941 0.286 1
1 186 . 17 1 1 A 19 19 ASN C C 19 172.527 173.292 -0.765 1
1 187 . 17 1 1 A 19 19 ASN CA C 19 51.140 52.265 -1.125 1
1 188 . 17 1 1 A 19 19 ASN CB C 19 40.795 41.634 -0.839 1
1 189 . 17 1 1 A 19 19 ASN N N 19 113.895 112.003 1.892 1
1 191 . 17 1 1 A 20 20 HIS H H 20 8.816 8.876 -0.060 1
1 192 . 17 1 1 A 20 20 HIS HA H 20 5.875 6.063 -0.188 1
1 197 . 17 1 1 A 20 20 HIS C C 20 173.013 172.887 0.126 1
1 198 . 17 1 1 A 20 20 HIS CA C 20 55.932 54.192 1.740 1
1 199 . 17 1 1 A 20 20 HIS CB C 20 35.190 33.691 1.499 1
1 202 . 17 1 1 A 20 20 HIS N N 20 118.537 116.714 1.823 1
1 203 . 17 1 1 A 21 21 SER H H 21 9.203 9.088 0.115 1
1 204 . 17 1 1 A 21 21 SER HA H 21 4.399 4.736 -0.337 1
1 207 . 17 1 1 A 21 21 SER C C 21 172.382 172.102 0.280 1
1 208 . 17 1 1 A 21 21 SER CA C 21 57.063 56.911 0.152 1
1 209 . 17 1 1 A 21 21 SER CB C 21 65.417 66.095 -0.678 1
1 210 . 17 1 1 A 21 21 SER N N 21 115.006 114.322 0.684 1
1 211 . 17 1 1 A 22 22 VAL H H 22 8.493 8.995 -0.502 1
1 212 . 17 1 1 A 22 22 VAL HA H 22 4.961 4.634 0.327 1
1 220 . 17 1 1 A 22 22 VAL C C 22 176.199 175.095 1.104 1
1 221 . 17 1 1 A 22 22 VAL CA C 22 61.066 60.227 0.839 1
1 222 . 17 1 1 A 22 22 VAL CB C 22 33.732 34.130 -0.398 1
1 225 . 17 1 1 A 22 22 VAL N N 22 124.080 127.904 -3.824 1
1 226 . 17 1 1 A 23 23 ASP H H 23 8.667 7.930 0.737 1
1 227 . 17 1 1 A 23 23 ASP HA H 23 4.688 4.534 0.154 1
1 230 . 17 1 1 A 23 23 ASP C C 23 178.629 177.508 1.121 1
1 231 . 17 1 1 A 23 23 ASP CA C 23 52.814 54.189 -1.375 1
1 232 . 17 1 1 A 23 23 ASP CB C 23 41.525 41.528 -0.003 1
1 233 . 17 1 1 A 23 23 ASP N N 23 127.673 129.062 -1.389 1
1 234 . 17 1 1 A 24 24 LYS H H 24 8.242 8.944 -0.702 1
1 235 . 17 1 1 A 24 24 LYS HA H 24 4.077 3.839 0.238 1
1 244 . 17 1 1 A 24 24 LYS C C 24 177.637 178.237 -0.600 1
1 245 . 17 1 1 A 24 24 LYS CA C 24 58.419 60.148 -1.729 1
1 246 . 17 1 1 A 24 24 LYS CB C 24 32.057 32.138 -0.081 1
1 250 . 17 1 1 A 24 24 LYS N N 24 116.378 123.847 -7.469 1
1 251 . 17 1 1 A 25 25 LYS H H 25 8.128 7.607 0.521 1
1 252 . 17 1 1 A 25 25 LYS HA H 25 4.379 4.049 0.330 1
1 261 . 17 1 1 A 25 25 LYS C C 25 176.600 176.608 -0.008 1
1 262 . 17 1 1 A 25 25 LYS CA C 25 55.411 57.712 -2.301 1
1 263 . 17 1 1 A 25 25 LYS CB C 25 32.516 32.744 -0.228 1
1 267 . 17 1 1 A 25 25 LYS N N 25 118.184 117.492 0.692 1
1 268 . 17 1 1 A 26 26 GLY H H 26 8.040 8.027 0.013 1
1 269 . 17 1 1 A 26 26 GLY HA2 H 26 4.125 4.051 0.074 1
1 270 . 17 1 1 A 26 26 GLY HA3 H 26 3.428 4.084 -0.656 1
1 271 . 17 1 1 A 26 26 GLY C C 26 174.048 174.505 -0.457 1
1 272 . 17 1 1 A 26 26 GLY CA C 26 45.235 45.111 0.124 1
1 273 . 17 1 1 A 26 26 GLY N N 26 108.208 106.014 2.194 1
1 274 . 17 1 1 A 27 27 HIS H H 27 8.599 8.050 0.549 1
1 275 . 17 1 1 A 27 27 HIS HA H 27 4.491 4.462 0.029 1
1 279 . 17 1 1 A 27 27 HIS C C 27 174.516 174.243 0.273 1
1 280 . 17 1 1 A 27 27 HIS CA C 27 55.935 56.313 -0.378 1
1 281 . 17 1 1 A 27 27 HIS CB C 27 29.257 29.106 0.151 1
1 283 . 17 1 1 A 27 27 HIS N N 27 123.031 118.675 4.356 1
1 284 . 17 1 1 A 28 28 VAL H H 28 8.330 8.614 -0.284 1
1 285 . 17 1 1 A 28 28 VAL HA H 28 4.776 3.988 0.788 1
1 293 . 17 1 1 A 28 28 VAL C C 28 174.798 175.591 -0.793 1
1 294 . 17 1 1 A 28 28 VAL CA C 28 62.070 63.547 -1.477 1
1 295 . 17 1 1 A 28 28 VAL CB C 28 32.965 32.180 0.785 1
1 298 . 17 1 1 A 28 28 VAL N N 28 127.641 124.897 2.744 1
1 299 . 17 1 1 A 29 29 HIS H H 29 8.887 9.405 -0.518 1
1 300 . 17 1 1 A 29 29 HIS HA H 29 5.071 5.247 -0.176 1
1 305 . 17 1 1 A 29 29 HIS C C 29 173.998 174.108 -0.110 1
1 306 . 17 1 1 A 29 29 HIS CA C 29 54.841 54.152 0.689 1
1 307 . 17 1 1 A 29 29 HIS CB C 29 33.921 33.441 0.480 1
1 310 . 17 1 1 A 29 29 HIS N N 29 124.946 125.658 -0.712 1
1 311 . 17 1 1 A 30 30 TYR H H 30 9.630 9.325 0.305 1
1 312 . 17 1 1 A 30 30 TYR HA H 30 5.092 5.201 -0.109 1
1 319 . 17 1 1 A 30 30 TYR C C 30 173.451 174.658 -1.207 1
1 320 . 17 1 1 A 30 30 TYR CA C 30 57.627 56.340 1.287 1
1 321 . 17 1 1 A 30 30 TYR CB C 30 41.124 41.488 -0.364 1
1 326 . 17 1 1 A 30 30 TYR N N 30 119.246 120.518 -1.272 1
1 327 . 17 1 1 A 31 31 LEU H H 31 7.804 8.592 -0.788 1
1 328 . 17 1 1 A 31 31 LEU HA H 31 3.561 3.411 0.150 1
1 338 . 17 1 1 A 31 31 LEU C C 31 173.742 174.453 -0.711 1
1 339 . 17 1 1 A 31 31 LEU CA C 31 53.120 53.883 -0.763 1
1 340 . 17 1 1 A 31 31 LEU CB C 31 39.479 40.645 -1.166 1
1 344 . 17 1 1 A 31 31 LEU N N 31 125.982 126.113 -0.131 1
1 345 . 17 1 1 A 32 32 ILE H H 32 8.861 8.045 0.816 1
1 346 . 17 1 1 A 32 32 ILE HA H 32 3.402 3.889 -0.487 1
1 356 . 17 1 1 A 32 32 ILE C C 32 173.769 174.497 -0.728 1
1 357 . 17 1 1 A 32 32 ILE CA C 32 61.356 61.145 0.211 1
1 358 . 17 1 1 A 32 32 ILE CB C 32 39.405 37.246 2.159 1
1 362 . 17 1 1 A 32 32 ILE N N 32 129.827 127.156 2.671 1
1 363 . 17 1 1 A 33 33 LYS H H 33 7.951 8.535 -0.584 1
1 364 . 17 1 1 A 33 33 LYS HA H 33 4.111 4.422 -0.311 1
1 373 . 17 1 1 A 33 33 LYS C C 33 174.920 175.245 -0.325 1
1 374 . 17 1 1 A 33 33 LYS CA C 33 54.849 54.422 0.427 1
1 375 . 17 1 1 A 33 33 LYS CB C 33 33.162 33.866 -0.704 1
1 379 . 17 1 1 A 33 33 LYS N N 33 124.612 126.976 -2.364 1
1 380 . 17 1 1 A 34 34 TRP H H 34 8.145 8.368 -0.223 1
1 381 . 17 1 1 A 34 34 TRP HA H 34 4.690 4.547 0.143 1
1 390 . 17 1 1 A 34 34 TRP C C 34 177.144 177.024 0.120 1
1 391 . 17 1 1 A 34 34 TRP CA C 34 55.582 58.402 -2.820 1
1 392 . 17 1 1 A 34 34 TRP CB C 34 30.832 29.136 1.696 1
1 398 . 17 1 1 A 34 34 TRP N N 34 132.766 127.648 5.118 1
1 400 . 17 1 1 A 35 35 ARG H H 35 9.199 8.658 0.541 1
1 401 . 17 1 1 A 35 35 ARG HA H 35 3.742 4.327 -0.585 1
1 408 . 17 1 1 A 35 35 ARG C C 35 176.307 178.279 -1.972 1
1 409 . 17 1 1 A 35 35 ARG CA C 35 58.738 60.464 -1.726 1
1 410 . 17 1 1 A 35 35 ARG CB C 35 30.254 30.227 0.027 1
1 413 . 17 1 1 A 35 35 ARG N N 35 124.433 126.408 -1.975 1
1 414 . 17 1 1 A 36 36 ASP H H 36 8.812 8.442 0.370 1
1 415 . 17 1 1 A 36 36 ASP HA H 36 4.294 4.503 -0.209 1
1 418 . 17 1 1 A 36 36 ASP C C 36 174.269 176.718 -2.449 1
1 419 . 17 1 1 A 36 36 ASP CA C 36 55.948 57.605 -1.657 1
1 420 . 17 1 1 A 36 36 ASP CB C 36 39.960 41.688 -1.728 1
1 421 . 17 1 1 A 36 36 ASP N N 36 115.622 119.391 -3.769 1
1 422 . 17 1 1 A 37 37 LEU H H 37 7.372 7.820 -0.448 1
1 423 . 17 1 1 A 37 37 LEU HA H 37 4.966 4.525 0.441 1
1 433 . 17 1 1 A 37 37 LEU C C 37 174.638 174.863 -0.225 1
1 434 . 17 1 1 A 37 37 LEU CA C 37 51.968 53.626 -1.658 1
1 435 . 17 1 1 A 37 37 LEU CB C 37 44.421 41.321 3.100 1
1 439 . 17 1 1 A 37 37 LEU N N 37 119.137 120.404 -1.267 1
1 440 . 17 1 1 A 38 38 PRO HA H 38 4.559 4.580 -0.021 1
1 447 . 17 1 1 A 38 38 PRO C C 38 178.256 176.444 1.812 1
1 448 . 17 1 1 A 38 38 PRO CA C 38 62.332 62.375 -0.043 1
1 449 . 17 1 1 A 38 38 PRO CB C 38 33.232 33.347 -0.115 1
1 452 . 17 1 1 A 39 39 TYR H H 39 8.933 8.878 0.055 1
1 453 . 17 1 1 A 39 39 TYR HA H 39 3.758 4.056 -0.298 1
1 460 . 17 1 1 A 39 39 TYR C C 39 177.241 177.278 -0.037 1
1 461 . 17 1 1 A 39 39 TYR CA C 39 62.934 61.269 1.665 1
1 462 . 17 1 1 A 39 39 TYR CB C 39 38.451 38.542 -0.091 1
1 467 . 17 1 1 A 39 39 TYR N N 39 122.113 121.360 0.753 1
1 468 . 17 1 1 A 40 40 ASP H H 40 8.439 8.466 -0.027 1
1 469 . 17 1 1 A 40 40 ASP HA H 40 4.407 4.512 -0.105 1
1 472 . 17 1 1 A 40 40 ASP C C 40 176.645 177.083 -0.438 1
1 473 . 17 1 1 A 40 40 ASP CA C 40 55.335 56.333 -0.998 1
1 474 . 17 1 1 A 40 40 ASP CB C 40 39.476 40.246 -0.770 1
1 475 . 17 1 1 A 40 40 ASP N N 40 115.019 119.261 -4.242 1
1 476 . 17 1 1 A 41 41 GLN H H 41 7.761 7.690 0.071 1
1 477 . 17 1 1 A 41 41 GLN HA H 41 4.457 4.393 0.064 1
1 484 . 17 1 1 A 41 41 GLN C C 41 175.665 176.094 -0.429 1
1 485 . 17 1 1 A 41 41 GLN CA C 41 55.031 55.789 -0.758 1
1 486 . 17 1 1 A 41 41 GLN CB C 41 29.606 30.116 -0.510 1
1 488 . 17 1 1 A 41 41 GLN N N 41 117.630 117.359 0.271 1
1 490 . 17 1 1 A 42 42 ALA H H 42 7.379 7.302 0.077 1
1 491 . 17 1 1 A 42 42 ALA HA H 42 4.776 4.068 0.708 1
1 495 . 17 1 1 A 42 42 ALA C C 42 177.103 176.580 0.523 1
1 496 . 17 1 1 A 42 42 ALA CA C 42 53.572 52.910 0.662 1
1 497 . 17 1 1 A 42 42 ALA CB C 42 18.951 18.945 0.006 1
1 498 . 17 1 1 A 42 42 ALA N N 42 123.425 123.501 -0.076 1
1 499 . 17 1 1 A 43 43 SER H H 43 8.521 7.905 0.616 1
1 500 . 17 1 1 A 43 43 SER HA H 43 4.861 5.133 -0.272 1
1 503 . 17 1 1 A 43 43 SER C C 43 172.947 172.998 -0.051 1
1 504 . 17 1 1 A 43 43 SER CA C 43 56.852 56.422 0.430 1
1 505 . 17 1 1 A 43 43 SER CB C 43 66.734 66.133 0.601 1
1 506 . 17 1 1 A 43 43 SER N N 43 115.967 114.889 1.078 1
1 507 . 17 1 1 A 44 44 TRP H H 44 8.699 8.909 -0.210 1
1 508 . 17 1 1 A 44 44 TRP HA H 44 5.081 4.947 0.134 1
1 517 . 17 1 1 A 44 44 TRP C C 44 177.207 176.383 0.824 1
1 518 . 17 1 1 A 44 44 TRP CA C 44 56.648 57.067 -0.419 1
1 519 . 17 1 1 A 44 44 TRP CB C 44 29.592 29.993 -0.401 1
1 525 . 17 1 1 A 44 44 TRP N N 44 123.015 124.650 -1.635 1
1 527 . 17 1 1 A 45 45 GLU H H 45 9.773 8.779 0.994 1
1 528 . 17 1 1 A 45 45 GLU HA H 45 5.156 4.826 0.330 1
1 533 . 17 1 1 A 45 45 GLU C C 45 176.249 176.203 0.046 1
1 534 . 17 1 1 A 45 45 GLU CA C 45 53.378 54.760 -1.382 1
1 535 . 17 1 1 A 45 45 GLU CB C 45 31.950 32.436 -0.486 1
1 537 . 17 1 1 A 45 45 GLU N N 45 122.799 124.253 -1.454 1
1 538 . 17 1 1 A 46 46 SER H H 46 9.121 8.702 0.419 1
1 539 . 17 1 1 A 46 46 SER HA H 46 4.106 4.338 -0.232 1
1 542 . 17 1 1 A 46 46 SER C C 46 178.218 176.022 2.196 1
1 543 . 17 1 1 A 46 46 SER CA C 46 58.791 59.045 -0.254 1
1 544 . 17 1 1 A 46 46 SER CB C 46 63.100 64.015 -0.915 1
1 545 . 17 1 1 A 46 46 SER N N 46 116.892 120.680 -3.788 1
1 546 . 17 1 1 A 47 47 GLU H H 47 8.588 8.959 -0.371 1
1 547 . 17 1 1 A 47 47 GLU HA H 47 4.327 4.698 -0.371 1
1 552 . 17 1 1 A 47 47 GLU C C 47 174.707 176.651 -1.944 1
1 553 . 17 1 1 A 47 47 GLU CA C 47 58.693 57.237 1.456 1
1 554 . 17 1 1 A 47 47 GLU CB C 47 29.990 28.916 1.074 1
1 556 . 17 1 1 A 47 47 GLU N N 47 125.534 121.831 3.703 1
1 557 . 17 1 1 A 48 48 ASP H H 48 8.415 8.302 0.113 1
1 558 . 17 1 1 A 48 48 ASP HA H 48 4.847 4.938 -0.091 1
1 561 . 17 1 1 A 48 48 ASP C C 48 176.853 175.925 0.928 1
1 562 . 17 1 1 A 48 48 ASP CA C 48 54.472 54.180 0.292 1
1 563 . 17 1 1 A 48 48 ASP CB C 48 41.795 42.300 -0.505 1
1 564 . 17 1 1 A 48 48 ASP N N 48 117.812 119.959 -2.147 1
1 565 . 17 1 1 A 49 49 VAL H H 49 7.192 7.601 -0.409 1
1 566 . 17 1 1 A 49 49 VAL HA H 49 4.137 4.046 0.091 1
1 574 . 17 1 1 A 49 49 VAL C C 49 175.326 175.472 -0.146 1
1 575 . 17 1 1 A 49 49 VAL CA C 49 62.987 62.222 0.765 1
1 576 . 17 1 1 A 49 49 VAL CB C 49 32.759 32.513 0.246 1
1 579 . 17 1 1 A 49 49 VAL N N 49 118.329 116.556 1.773 1
1 580 . 17 1 1 A 50 50 GLU H H 50 8.417 8.684 -0.267 1
1 581 . 17 1 1 A 50 50 GLU HA H 50 4.526 4.928 -0.402 1
1 586 . 17 1 1 A 50 50 GLU C C 50 175.395 176.037 -0.642 1
1 587 . 17 1 1 A 50 50 GLU CA C 50 56.376 55.400 0.976 1
1 588 . 17 1 1 A 50 50 GLU CB C 50 29.216 30.759 -1.543 1
1 590 . 17 1 1 A 50 50 GLU N N 50 124.475 123.290 1.185 1
1 591 . 17 1 1 A 51 51 ILE H H 51 7.483 8.532 -1.049 1
1 592 . 17 1 1 A 51 51 ILE HA H 51 4.068 4.671 -0.603 1
1 602 . 17 1 1 A 51 51 ILE C C 51 175.838 174.938 0.900 1
1 603 . 17 1 1 A 51 51 ILE CA C 51 60.572 59.257 1.315 1
1 604 . 17 1 1 A 51 51 ILE CB C 51 41.701 41.323 0.378 1
1 608 . 17 1 1 A 51 51 ILE N N 51 125.565 125.599 -0.034 1
1 609 . 17 1 1 A 52 52 GLN H H 52 9.055 8.530 0.525 1
1 610 . 17 1 1 A 52 52 GLN HA H 52 4.042 3.923 0.119 1
1 617 . 17 1 1 A 52 52 GLN C C 52 176.011 176.266 -0.255 1
1 618 . 17 1 1 A 52 52 GLN CA C 52 58.264 57.428 0.836 1
1 619 . 17 1 1 A 52 52 GLN CB C 52 28.458 28.408 0.050 1
1 621 . 17 1 1 A 52 52 GLN N N 52 130.354 125.206 5.148 1
1 623 . 17 1 1 A 53 53 ASP H H 53 9.244 9.479 -0.235 1
1 624 . 17 1 1 A 53 53 ASP HA H 53 4.529 4.348 0.181 1
1 627 . 17 1 1 A 53 53 ASP C C 53 176.419 175.794 0.625 1
1 628 . 17 1 1 A 53 53 ASP CA C 53 56.605 55.447 1.158 1
1 629 . 17 1 1 A 53 53 ASP CB C 53 39.788 39.249 0.539 1
1 630 . 17 1 1 A 53 53 ASP N N 53 119.289 122.529 -3.240 1
1 631 . 17 1 1 A 54 54 TYR H H 54 7.920 8.273 -0.353 1
1 632 . 17 1 1 A 54 54 TYR HA H 54 4.388 4.300 0.088 1
1 639 . 17 1 1 A 54 54 TYR C C 54 178.807 177.354 1.453 1
1 640 . 17 1 1 A 54 54 TYR CA C 54 57.557 61.377 -3.820 1
1 641 . 17 1 1 A 54 54 TYR CB C 54 37.745 39.079 -1.334 1
1 646 . 17 1 1 A 54 54 TYR N N 54 120.852 119.321 1.531 1
1 647 . 17 1 1 A 55 55 ASP H H 55 8.942 8.357 0.585 1
1 648 . 17 1 1 A 55 55 ASP HA H 55 4.155 4.077 0.078 1
1 651 . 17 1 1 A 55 55 ASP C C 55 178.492 178.905 -0.413 1
1 652 . 17 1 1 A 55 55 ASP CA C 55 57.839 57.303 0.536 1
1 653 . 17 1 1 A 55 55 ASP CB C 55 39.955 40.294 -0.339 1
1 654 . 17 1 1 A 55 55 ASP N N 55 114.884 119.673 -4.789 1
1 655 . 17 1 1 A 56 56 LEU H H 56 7.585 8.255 -0.670 1
1 656 . 17 1 1 A 56 56 LEU HA H 56 3.968 3.923 0.045 1
1 666 . 17 1 1 A 56 56 LEU C C 56 180.237 179.174 1.063 1
1 667 . 17 1 1 A 56 56 LEU CA C 56 57.892 58.306 -0.414 1
1 668 . 17 1 1 A 56 56 LEU CB C 56 41.204 42.100 -0.896 1
1 672 . 17 1 1 A 56 56 LEU N N 56 121.328 120.200 1.128 1
1 673 . 17 1 1 A 57 57 PHE H H 57 7.735 8.123 -0.388 1
1 674 . 17 1 1 A 57 57 PHE HA H 57 4.182 4.168 0.014 1
1 682 . 17 1 1 A 57 57 PHE C C 57 179.437 178.164 1.273 1
1 683 . 17 1 1 A 57 57 PHE CA C 57 62.756 61.058 1.698 1
1 684 . 17 1 1 A 57 57 PHE CB C 57 38.803 39.009 -0.206 1
1 690 . 17 1 1 A 57 57 PHE N N 57 118.200 117.530 0.670 1
1 691 . 17 1 1 A 58 58 LYS H H 58 8.834 7.834 1.000 1
1 692 . 17 1 1 A 58 58 LYS HA H 58 3.515 3.519 -0.004 1
1 701 . 17 1 1 A 58 58 LYS C C 58 177.565 178.905 -1.340 1
1 702 . 17 1 1 A 58 58 LYS CA C 58 60.851 59.595 1.256 1
1 703 . 17 1 1 A 58 58 LYS CB C 58 33.102 31.907 1.195 1
1 707 . 17 1 1 A 58 58 LYS N N 58 123.283 117.840 5.443 1
1 708 . 17 1 1 A 59 59 GLN H H 59 7.955 8.273 -0.318 1
1 709 . 17 1 1 A 59 59 GLN HA H 59 4.104 4.239 -0.135 1
1 716 . 17 1 1 A 59 59 GLN C C 59 178.948 178.277 0.671 1
1 717 . 17 1 1 A 59 59 GLN CA C 59 59.249 58.544 0.705 1
1 718 . 17 1 1 A 59 59 GLN CB C 59 28.185 28.776 -0.591 1
1 720 . 17 1 1 A 59 59 GLN N N 59 117.353 119.831 -2.478 1
1 722 . 17 1 1 A 60 60 SER H H 60 7.821 7.808 0.013 1
1 723 . 17 1 1 A 60 60 SER HA H 60 4.233 4.198 0.035 1
1 726 . 17 1 1 A 60 60 SER C C 60 176.403 176.108 0.295 1
1 727 . 17 1 1 A 60 60 SER CA C 60 60.954 61.579 -0.625 1
1 728 . 17 1 1 A 60 60 SER CB C 60 63.007 63.234 -0.227 1
1 729 . 17 1 1 A 60 60 SER N N 60 112.660 114.481 -1.821 1
1 730 . 17 1 1 A 61 61 TYR H H 61 7.858 8.453 -0.595 1
1 731 . 17 1 1 A 61 61 TYR HA H 61 4.084 4.077 0.007 1
1 734 . 17 1 1 A 61 61 TYR C C 61 177.358 177.628 -0.270 1
1 735 . 17 1 1 A 61 61 TYR CA C 61 61.217 61.871 -0.654 1
1 736 . 17 1 1 A 61 61 TYR CB C 61 38.470 38.473 -0.003 1
1 739 . 17 1 1 A 61 61 TYR N N 61 122.550 121.858 0.692 1
1 740 . 17 1 1 A 62 62 TRP H H 62 7.754 7.565 0.189 1
1 741 . 17 1 1 A 62 62 TRP HA H 62 4.273 4.165 0.108 1
1 750 . 17 1 1 A 62 62 TRP C C 62 176.694 179.065 -2.371 1
1 751 . 17 1 1 A 62 62 TRP CA C 62 58.061 60.608 -2.547 1
1 752 . 17 1 1 A 62 62 TRP CB C 62 30.047 29.248 0.799 1
1 758 . 17 1 1 A 62 62 TRP N N 62 116.320 119.838 -3.518 1
1 760 . 17 1 1 A 63 63 ASN H H 63 7.800 8.380 -0.580 1
1 761 . 17 1 1 A 63 63 ASN HA H 63 4.688 4.452 0.236 1
1 766 . 17 1 1 A 63 63 ASN C C 63 174.055 176.424 -2.369 1
1 767 . 17 1 1 A 63 63 ASN CA C 63 53.484 56.610 -3.126 1
1 768 . 17 1 1 A 63 63 ASN CB C 63 38.645 38.350 0.295 1
1 769 . 17 1 1 A 63 63 ASN N N 63 117.543 117.628 -0.085 1
1 1 . 18 1 1 A 6 6 SER HA H 6 4.447 4.920 -0.473 1
1 3 . 18 1 1 A 6 6 SER C C 6 174.919 174.115 0.804 1
1 4 . 18 1 1 A 6 6 SER CA C 6 58.632 56.733 1.899 1
1 5 . 18 1 1 A 6 6 SER CB C 6 63.826 64.414 -0.588 1
1 6 . 18 1 1 A 7 7 GLY H H 7 8.381 9.139 -0.758 1
1 7 . 18 1 1 A 7 7 GLY HA2 H 7 3.956 4.186 -0.230 1
1 8 . 18 1 1 A 7 7 GLY HA3 H 7 3.907 4.186 -0.279 1
1 9 . 18 1 1 A 7 7 GLY C C 7 173.610 172.538 1.072 1
1 10 . 18 1 1 A 7 7 GLY CA C 7 45.128 44.411 0.717 1
1 11 . 18 1 1 A 7 7 GLY N N 7 110.672 114.371 -3.699 1
1 12 . 18 1 1 A 8 8 LYS H H 8 7.989 8.636 -0.647 1
1 13 . 18 1 1 A 8 8 LYS HA H 8 4.430 4.593 -0.163 1
1 22 . 18 1 1 A 8 8 LYS C C 8 174.322 174.255 0.067 1
1 23 . 18 1 1 A 8 8 LYS CA C 8 53.436 53.508 -0.072 1
1 24 . 18 1 1 A 8 8 LYS CB C 8 31.892 31.801 0.091 1
1 28 . 18 1 1 A 8 8 LYS N N 8 121.270 120.577 0.693 1
1 29 . 18 1 1 A 9 9 PRO HA H 9 4.131 4.495 -0.364 1
1 36 . 18 1 1 A 9 9 PRO C C 9 177.331 177.199 0.132 1
1 37 . 18 1 1 A 9 9 PRO CA C 9 62.970 62.565 0.405 1
1 38 . 18 1 1 A 9 9 PRO CB C 9 31.894 31.220 0.674 1
1 41 . 18 1 1 A 10 10 GLU H H 10 8.649 8.618 0.031 1
1 42 . 18 1 1 A 10 10 GLU HA H 10 3.960 3.946 0.014 1
1 47 . 18 1 1 A 10 10 GLU C C 10 175.849 178.295 -2.446 1
1 48 . 18 1 1 A 10 10 GLU CA C 10 58.051 59.299 -1.248 1
1 49 . 18 1 1 A 10 10 GLU CB C 10 29.627 29.042 0.585 1
1 51 . 18 1 1 A 10 10 GLU N N 10 120.707 123.499 -2.792 1
1 52 . 18 1 1 A 11 11 TRP H H 11 7.131 8.207 -1.076 1
1 53 . 18 1 1 A 11 11 TRP HA H 11 4.548 4.395 0.153 1
1 62 . 18 1 1 A 11 11 TRP C C 11 176.362 177.136 -0.774 1
1 63 . 18 1 1 A 11 11 TRP CA C 11 55.758 60.395 -4.637 1
1 64 . 18 1 1 A 11 11 TRP CB C 11 29.285 28.174 1.111 1
1 70 . 18 1 1 A 11 11 TRP N N 11 115.904 119.297 -3.393 1
1 72 . 18 1 1 A 12 12 MET H H 12 7.289 6.410 0.879 1
1 73 . 18 1 1 A 12 12 MET HA H 12 4.054 3.634 0.420 1
1 81 . 18 1 1 A 12 12 MET C C 12 174.357 175.597 -1.240 1
1 82 . 18 1 1 A 12 12 MET CA C 12 55.900 55.857 0.043 1
1 83 . 18 1 1 A 12 12 MET CB C 12 31.808 32.418 -0.610 1
1 86 . 18 1 1 A 12 12 MET N N 12 122.155 120.604 1.551 1
1 87 . 18 1 1 A 13 13 MET H H 13 8.569 8.900 -0.331 1
1 88 . 18 1 1 A 13 13 MET HA H 13 4.890 5.119 -0.229 1
1 96 . 18 1 1 A 13 13 MET C C 13 175.898 174.832 1.066 1
1 97 . 18 1 1 A 13 13 MET CA C 13 53.784 53.761 0.023 1
1 98 . 18 1 1 A 13 13 MET CB C 13 35.100 35.078 0.022 1
1 101 . 18 1 1 A 13 13 MET N N 13 121.084 121.434 -0.350 1
1 102 . 18 1 1 A 14 14 ILE H H 14 9.144 8.780 0.364 1
1 103 . 18 1 1 A 14 14 ILE HA H 14 2.912 4.204 -1.292 1
1 113 . 18 1 1 A 14 14 ILE C C 14 174.810 176.161 -1.351 1
1 114 . 18 1 1 A 14 14 ILE CA C 14 63.803 60.495 3.308 1
1 115 . 18 1 1 A 14 14 ILE CB C 14 38.974 36.867 2.107 1
1 119 . 18 1 1 A 14 14 ILE N N 14 125.919 123.135 2.784 1
1 120 . 18 1 1 A 15 15 HIS H H 15 8.926 8.495 0.431 1
1 121 . 18 1 1 A 15 15 HIS HA H 15 4.690 4.192 0.498 1
1 125 . 18 1 1 A 15 15 HIS C C 15 174.715 174.835 -0.120 1
1 126 . 18 1 1 A 15 15 HIS CA C 15 55.829 60.068 -4.239 1
1 127 . 18 1 1 A 15 15 HIS CB C 15 33.853 30.590 3.263 1
1 129 . 18 1 1 A 15 15 HIS N N 15 125.470 128.481 -3.011 1
1 130 . 18 1 1 A 16 16 ARG H H 16 7.529 7.624 -0.095 1
1 131 . 18 1 1 A 16 16 ARG HA H 16 4.193 4.860 -0.667 1
1 138 . 18 1 1 A 16 16 ARG C C 16 173.315 174.440 -1.125 1
1 139 . 18 1 1 A 16 16 ARG CA C 16 55.329 55.444 -0.115 1
1 140 . 18 1 1 A 16 16 ARG CB C 16 33.252 32.806 0.446 1
1 143 . 18 1 1 A 16 16 ARG N N 16 111.315 113.610 -2.295 1
1 144 . 18 1 1 A 17 17 ILE H H 17 8.396 8.977 -0.581 1
1 145 . 18 1 1 A 17 17 ILE HA H 17 4.052 3.993 0.059 1
1 155 . 18 1 1 A 17 17 ILE C C 17 175.341 175.423 -0.082 1
1 156 . 18 1 1 A 17 17 ILE CA C 17 61.859 61.643 0.216 1
1 157 . 18 1 1 A 17 17 ILE CB C 17 37.952 36.696 1.256 1
1 161 . 18 1 1 A 17 17 ILE N N 17 121.157 123.945 -2.788 1
1 162 . 18 1 1 A 18 18 LEU H H 18 9.102 8.461 0.641 1
1 163 . 18 1 1 A 18 18 LEU HA H 18 4.253 4.002 0.251 1
1 173 . 18 1 1 A 18 18 LEU C C 18 176.622 176.517 0.105 1
1 174 . 18 1 1 A 18 18 LEU CA C 18 55.422 57.627 -2.205 1
1 175 . 18 1 1 A 18 18 LEU CB C 18 43.410 41.959 1.451 1
1 179 . 18 1 1 A 18 18 LEU N N 18 124.326 130.085 -5.759 1
1 180 . 18 1 1 A 19 19 ASN H H 19 7.343 7.455 -0.112 1
1 181 . 18 1 1 A 19 19 ASN HA H 19 5.227 5.040 0.187 1
1 186 . 18 1 1 A 19 19 ASN C C 19 172.527 173.351 -0.824 1
1 187 . 18 1 1 A 19 19 ASN CA C 19 51.140 52.217 -1.077 1
1 188 . 18 1 1 A 19 19 ASN CB C 19 40.795 41.626 -0.831 1
1 189 . 18 1 1 A 19 19 ASN N N 19 113.895 112.090 1.805 1
1 191 . 18 1 1 A 20 20 HIS H H 20 8.816 8.854 -0.038 1
1 192 . 18 1 1 A 20 20 HIS HA H 20 5.875 6.103 -0.228 1
1 197 . 18 1 1 A 20 20 HIS C C 20 173.013 172.300 0.713 1
1 198 . 18 1 1 A 20 20 HIS CA C 20 55.932 54.358 1.574 1
1 199 . 18 1 1 A 20 20 HIS CB C 20 35.190 33.481 1.709 1
1 202 . 18 1 1 A 20 20 HIS N N 20 118.537 116.660 1.877 1
1 203 . 18 1 1 A 21 21 SER H H 21 9.203 8.983 0.220 1
1 204 . 18 1 1 A 21 21 SER HA H 21 4.399 4.846 -0.447 1
1 207 . 18 1 1 A 21 21 SER C C 21 172.382 171.991 0.391 1
1 208 . 18 1 1 A 21 21 SER CA C 21 57.063 56.496 0.567 1
1 209 . 18 1 1 A 21 21 SER CB C 21 65.417 65.265 0.152 1
1 210 . 18 1 1 A 21 21 SER N N 21 115.006 114.872 0.134 1
1 211 . 18 1 1 A 22 22 VAL H H 22 8.493 9.038 -0.545 1
1 212 . 18 1 1 A 22 22 VAL HA H 22 4.961 4.601 0.360 1
1 220 . 18 1 1 A 22 22 VAL C C 22 176.199 174.619 1.580 1
1 221 . 18 1 1 A 22 22 VAL CA C 22 61.066 60.242 0.824 1
1 222 . 18 1 1 A 22 22 VAL CB C 22 33.732 33.738 -0.006 1
1 225 . 18 1 1 A 22 22 VAL N N 22 124.080 128.070 -3.990 1
1 226 . 18 1 1 A 23 23 ASP H H 23 8.667 8.322 0.345 1
1 227 . 18 1 1 A 23 23 ASP HA H 23 4.688 4.563 0.125 1
1 230 . 18 1 1 A 23 23 ASP C C 23 178.629 177.055 1.574 1
1 231 . 18 1 1 A 23 23 ASP CA C 23 52.814 53.122 -0.308 1
1 232 . 18 1 1 A 23 23 ASP CB C 23 41.525 41.488 0.037 1
1 233 . 18 1 1 A 23 23 ASP N N 23 127.673 128.344 -0.671 1
1 234 . 18 1 1 A 24 24 LYS H H 24 8.242 8.694 -0.452 1
1 235 . 18 1 1 A 24 24 LYS HA H 24 4.077 3.866 0.211 1
1 244 . 18 1 1 A 24 24 LYS C C 24 177.637 178.554 -0.917 1
1 245 . 18 1 1 A 24 24 LYS CA C 24 58.419 59.998 -1.579 1
1 246 . 18 1 1 A 24 24 LYS CB C 24 32.057 31.981 0.076 1
1 250 . 18 1 1 A 24 24 LYS N N 24 116.378 124.602 -8.224 1
1 251 . 18 1 1 A 25 25 LYS H H 25 8.128 7.639 0.489 1
1 252 . 18 1 1 A 25 25 LYS HA H 25 4.379 4.093 0.286 1
1 261 . 18 1 1 A 25 25 LYS C C 25 176.600 176.701 -0.101 1
1 262 . 18 1 1 A 25 25 LYS CA C 25 55.411 57.405 -1.994 1
1 263 . 18 1 1 A 25 25 LYS CB C 25 32.516 32.760 -0.244 1
1 267 . 18 1 1 A 25 25 LYS N N 25 118.184 118.113 0.071 1
1 268 . 18 1 1 A 26 26 GLY H H 26 8.040 8.018 0.022 1
1 269 . 18 1 1 A 26 26 GLY HA2 H 26 4.125 4.014 0.111 1
1 270 . 18 1 1 A 26 26 GLY HA3 H 26 3.428 4.047 -0.619 1
1 271 . 18 1 1 A 26 26 GLY C C 26 174.048 174.618 -0.570 1
1 272 . 18 1 1 A 26 26 GLY CA C 26 45.235 45.098 0.137 1
1 273 . 18 1 1 A 26 26 GLY N N 26 108.208 105.921 2.287 1
1 274 . 18 1 1 A 27 27 HIS H H 27 8.599 8.009 0.590 1
1 275 . 18 1 1 A 27 27 HIS HA H 27 4.491 4.483 0.008 1
1 279 . 18 1 1 A 27 27 HIS C C 27 174.516 174.236 0.280 1
1 280 . 18 1 1 A 27 27 HIS CA C 27 55.935 56.492 -0.557 1
1 281 . 18 1 1 A 27 27 HIS CB C 27 29.257 28.931 0.326 1
1 283 . 18 1 1 A 27 27 HIS N N 27 123.031 119.009 4.022 1
1 284 . 18 1 1 A 28 28 VAL H H 28 8.330 8.136 0.194 1
1 285 . 18 1 1 A 28 28 VAL HA H 28 4.776 3.906 0.870 1
1 293 . 18 1 1 A 28 28 VAL C C 28 174.798 175.679 -0.881 1
1 294 . 18 1 1 A 28 28 VAL CA C 28 62.070 63.722 -1.652 1
1 295 . 18 1 1 A 28 28 VAL CB C 28 32.965 32.117 0.848 1
1 298 . 18 1 1 A 28 28 VAL N N 28 127.641 124.747 2.894 1
1 299 . 18 1 1 A 29 29 HIS H H 29 8.887 9.032 -0.145 1
1 300 . 18 1 1 A 29 29 HIS HA H 29 5.071 5.338 -0.267 1
1 305 . 18 1 1 A 29 29 HIS C C 29 173.998 174.146 -0.148 1
1 306 . 18 1 1 A 29 29 HIS CA C 29 54.841 53.790 1.051 1
1 307 . 18 1 1 A 29 29 HIS CB C 29 33.921 32.782 1.139 1
1 310 . 18 1 1 A 29 29 HIS N N 29 124.946 126.357 -1.411 1
1 311 . 18 1 1 A 30 30 TYR H H 30 9.630 9.111 0.519 1
1 312 . 18 1 1 A 30 30 TYR HA H 30 5.092 5.192 -0.100 1
1 319 . 18 1 1 A 30 30 TYR C C 30 173.451 174.680 -1.229 1
1 320 . 18 1 1 A 30 30 TYR CA C 30 57.627 56.475 1.152 1
1 321 . 18 1 1 A 30 30 TYR CB C 30 41.124 40.816 0.308 1
1 326 . 18 1 1 A 30 30 TYR N N 30 119.246 121.041 -1.795 1
1 327 . 18 1 1 A 31 31 LEU H H 31 7.804 8.699 -0.895 1
1 328 . 18 1 1 A 31 31 LEU HA H 31 3.561 3.364 0.197 1
1 338 . 18 1 1 A 31 31 LEU C C 31 173.742 174.449 -0.707 1
1 339 . 18 1 1 A 31 31 LEU CA C 31 53.120 54.074 -0.954 1
1 340 . 18 1 1 A 31 31 LEU CB C 31 39.479 40.733 -1.254 1
1 344 . 18 1 1 A 31 31 LEU N N 31 125.982 126.306 -0.324 1
1 345 . 18 1 1 A 32 32 ILE H H 32 8.861 8.026 0.835 1
1 346 . 18 1 1 A 32 32 ILE HA H 32 3.402 3.933 -0.531 1
1 356 . 18 1 1 A 32 32 ILE C C 32 173.769 174.424 -0.655 1
1 357 . 18 1 1 A 32 32 ILE CA C 32 61.356 61.145 0.211 1
1 358 . 18 1 1 A 32 32 ILE CB C 32 39.405 37.110 2.295 1
1 362 . 18 1 1 A 32 32 ILE N N 32 129.827 127.211 2.616 1
1 363 . 18 1 1 A 33 33 LYS H H 33 7.951 8.563 -0.612 1
1 364 . 18 1 1 A 33 33 LYS HA H 33 4.111 4.482 -0.371 1
1 373 . 18 1 1 A 33 33 LYS C C 33 174.920 175.240 -0.320 1
1 374 . 18 1 1 A 33 33 LYS CA C 33 54.849 54.545 0.304 1
1 375 . 18 1 1 A 33 33 LYS CB C 33 33.162 33.652 -0.490 1
1 379 . 18 1 1 A 33 33 LYS N N 33 124.612 127.363 -2.751 1
1 380 . 18 1 1 A 34 34 TRP H H 34 8.145 8.358 -0.213 1
1 381 . 18 1 1 A 34 34 TRP HA H 34 4.690 4.573 0.117 1
1 390 . 18 1 1 A 34 34 TRP C C 34 177.144 177.040 0.104 1
1 391 . 18 1 1 A 34 34 TRP CA C 34 55.582 58.433 -2.851 1
1 392 . 18 1 1 A 34 34 TRP CB C 34 30.832 29.331 1.501 1
1 398 . 18 1 1 A 34 34 TRP N N 34 132.766 127.728 5.038 1
1 400 . 18 1 1 A 35 35 ARG H H 35 9.199 8.270 0.929 1
1 401 . 18 1 1 A 35 35 ARG HA H 35 3.742 4.176 -0.434 1
1 408 . 18 1 1 A 35 35 ARG C C 35 176.307 178.137 -1.830 1
1 409 . 18 1 1 A 35 35 ARG CA C 35 58.738 60.060 -1.322 1
1 410 . 18 1 1 A 35 35 ARG CB C 35 30.254 30.290 -0.036 1
1 413 . 18 1 1 A 35 35 ARG N N 35 124.433 126.431 -1.998 1
1 414 . 18 1 1 A 36 36 ASP H H 36 8.812 8.300 0.512 1
1 415 . 18 1 1 A 36 36 ASP HA H 36 4.294 4.408 -0.114 1
1 418 . 18 1 1 A 36 36 ASP C C 36 174.269 176.335 -2.066 1
1 419 . 18 1 1 A 36 36 ASP CA C 36 55.948 57.572 -1.624 1
1 420 . 18 1 1 A 36 36 ASP CB C 36 39.960 41.037 -1.077 1
1 421 . 18 1 1 A 36 36 ASP N N 36 115.622 119.603 -3.981 1
1 422 . 18 1 1 A 37 37 LEU H H 37 7.372 7.985 -0.613 1
1 423 . 18 1 1 A 37 37 LEU HA H 37 4.966 4.539 0.427 1
1 433 . 18 1 1 A 37 37 LEU C C 37 174.638 174.921 -0.283 1
1 434 . 18 1 1 A 37 37 LEU CA C 37 51.968 52.993 -1.025 1
1 435 . 18 1 1 A 37 37 LEU CB C 37 44.421 41.335 3.086 1
1 439 . 18 1 1 A 37 37 LEU N N 37 119.137 120.385 -1.248 1
1 440 . 18 1 1 A 38 38 PRO HA H 38 4.559 4.662 -0.103 1
1 447 . 18 1 1 A 38 38 PRO C C 38 178.256 176.434 1.822 1
1 448 . 18 1 1 A 38 38 PRO CA C 38 62.332 62.431 -0.099 1
1 449 . 18 1 1 A 38 38 PRO CB C 38 33.232 33.389 -0.157 1
1 452 . 18 1 1 A 39 39 TYR H H 39 8.933 8.890 0.043 1
1 453 . 18 1 1 A 39 39 TYR HA H 39 3.758 4.122 -0.364 1
1 460 . 18 1 1 A 39 39 TYR C C 39 177.241 177.134 0.107 1
1 461 . 18 1 1 A 39 39 TYR CA C 39 62.934 60.908 2.026 1
1 462 . 18 1 1 A 39 39 TYR CB C 39 38.451 38.992 -0.541 1
1 467 . 18 1 1 A 39 39 TYR N N 39 122.113 121.881 0.232 1
1 468 . 18 1 1 A 40 40 ASP H H 40 8.439 8.423 0.016 1
1 469 . 18 1 1 A 40 40 ASP HA H 40 4.407 4.412 -0.005 1
1 472 . 18 1 1 A 40 40 ASP C C 40 176.645 177.271 -0.626 1
1 473 . 18 1 1 A 40 40 ASP CA C 40 55.335 55.382 -0.047 1
1 474 . 18 1 1 A 40 40 ASP CB C 40 39.476 40.603 -1.127 1
1 475 . 18 1 1 A 40 40 ASP N N 40 115.019 118.899 -3.880 1
1 476 . 18 1 1 A 41 41 GLN H H 41 7.761 7.722 0.039 1
1 477 . 18 1 1 A 41 41 GLN HA H 41 4.457 4.490 -0.033 1
1 484 . 18 1 1 A 41 41 GLN C C 41 175.665 175.447 0.218 1
1 485 . 18 1 1 A 41 41 GLN CA C 41 55.031 55.493 -0.462 1
1 486 . 18 1 1 A 41 41 GLN CB C 41 29.606 29.955 -0.349 1
1 488 . 18 1 1 A 41 41 GLN N N 41 117.630 116.863 0.767 1
1 490 . 18 1 1 A 42 42 ALA H H 42 7.379 6.838 0.541 1
1 491 . 18 1 1 A 42 42 ALA HA H 42 4.776 4.164 0.612 1
1 495 . 18 1 1 A 42 42 ALA C C 42 177.103 177.091 0.012 1
1 496 . 18 1 1 A 42 42 ALA CA C 42 53.572 52.636 0.936 1
1 497 . 18 1 1 A 42 42 ALA CB C 42 18.951 19.000 -0.049 1
1 498 . 18 1 1 A 42 42 ALA N N 42 123.425 124.134 -0.709 1
1 499 . 18 1 1 A 43 43 SER H H 43 8.521 8.022 0.499 1
1 500 . 18 1 1 A 43 43 SER HA H 43 4.861 4.950 -0.089 1
1 503 . 18 1 1 A 43 43 SER C C 43 172.947 172.951 -0.004 1
1 504 . 18 1 1 A 43 43 SER CA C 43 56.852 57.432 -0.580 1
1 505 . 18 1 1 A 43 43 SER CB C 43 66.734 66.604 0.130 1
1 506 . 18 1 1 A 43 43 SER N N 43 115.967 115.646 0.321 1
1 507 . 18 1 1 A 44 44 TRP H H 44 8.699 8.859 -0.160 1
1 508 . 18 1 1 A 44 44 TRP HA H 44 5.081 4.943 0.138 1
1 517 . 18 1 1 A 44 44 TRP C C 44 177.207 176.272 0.935 1
1 518 . 18 1 1 A 44 44 TRP CA C 44 56.648 57.318 -0.670 1
1 519 . 18 1 1 A 44 44 TRP CB C 44 29.592 31.075 -1.483 1
1 525 . 18 1 1 A 44 44 TRP N N 44 123.015 124.594 -1.579 1
1 527 . 18 1 1 A 45 45 GLU H H 45 9.773 8.870 0.903 1
1 528 . 18 1 1 A 45 45 GLU HA H 45 5.156 4.947 0.209 1
1 533 . 18 1 1 A 45 45 GLU C C 45 176.249 175.706 0.543 1
1 534 . 18 1 1 A 45 45 GLU CA C 45 53.378 54.770 -1.392 1
1 535 . 18 1 1 A 45 45 GLU CB C 45 31.950 32.482 -0.532 1
1 537 . 18 1 1 A 45 45 GLU N N 45 122.799 122.140 0.659 1
1 538 . 18 1 1 A 46 46 SER H H 46 9.121 8.609 0.512 1
1 539 . 18 1 1 A 46 46 SER HA H 46 4.106 4.468 -0.362 1
1 542 . 18 1 1 A 46 46 SER C C 46 178.218 176.014 2.204 1
1 543 . 18 1 1 A 46 46 SER CA C 46 58.791 58.518 0.273 1
1 544 . 18 1 1 A 46 46 SER CB C 46 63.100 64.007 -0.907 1
1 545 . 18 1 1 A 46 46 SER N N 46 116.892 120.927 -4.035 1
1 546 . 18 1 1 A 47 47 GLU H H 47 8.588 9.015 -0.427 1
1 547 . 18 1 1 A 47 47 GLU HA H 47 4.327 4.821 -0.494 1
1 552 . 18 1 1 A 47 47 GLU C C 47 174.707 177.158 -2.451 1
1 553 . 18 1 1 A 47 47 GLU CA C 47 58.693 57.772 0.921 1
1 554 . 18 1 1 A 47 47 GLU CB C 47 29.990 29.021 0.969 1
1 556 . 18 1 1 A 47 47 GLU N N 47 125.534 124.001 1.533 1
1 557 . 18 1 1 A 48 48 ASP H H 48 8.415 8.038 0.377 1
1 558 . 18 1 1 A 48 48 ASP HA H 48 4.847 4.869 -0.022 1
1 561 . 18 1 1 A 48 48 ASP C C 48 176.853 176.056 0.797 1
1 562 . 18 1 1 A 48 48 ASP CA C 48 54.472 55.734 -1.262 1
1 563 . 18 1 1 A 48 48 ASP CB C 48 41.795 41.965 -0.170 1
1 564 . 18 1 1 A 48 48 ASP N N 48 117.812 120.014 -2.202 1
1 565 . 18 1 1 A 49 49 VAL H H 49 7.192 7.612 -0.420 1
1 566 . 18 1 1 A 49 49 VAL HA H 49 4.137 4.100 0.037 1
1 574 . 18 1 1 A 49 49 VAL C C 49 175.326 175.404 -0.078 1
1 575 . 18 1 1 A 49 49 VAL CA C 49 62.987 62.231 0.756 1
1 576 . 18 1 1 A 49 49 VAL CB C 49 32.759 32.362 0.397 1
1 579 . 18 1 1 A 49 49 VAL N N 49 118.329 116.489 1.840 1
1 580 . 18 1 1 A 50 50 GLU H H 50 8.417 8.756 -0.339 1
1 581 . 18 1 1 A 50 50 GLU HA H 50 4.526 4.901 -0.375 1
1 586 . 18 1 1 A 50 50 GLU C C 50 175.395 175.678 -0.283 1
1 587 . 18 1 1 A 50 50 GLU CA C 50 56.376 55.466 0.910 1
1 588 . 18 1 1 A 50 50 GLU CB C 50 29.216 30.701 -1.485 1
1 590 . 18 1 1 A 50 50 GLU N N 50 124.475 123.334 1.141 1
1 591 . 18 1 1 A 51 51 ILE H H 51 7.483 8.654 -1.171 1
1 592 . 18 1 1 A 51 51 ILE HA H 51 4.068 4.639 -0.571 1
1 602 . 18 1 1 A 51 51 ILE C C 51 175.838 175.240 0.598 1
1 603 . 18 1 1 A 51 51 ILE CA C 51 60.572 59.478 1.094 1
1 604 . 18 1 1 A 51 51 ILE CB C 51 41.701 40.798 0.903 1
1 608 . 18 1 1 A 51 51 ILE N N 51 125.565 126.647 -1.082 1
1 609 . 18 1 1 A 52 52 GLN H H 52 9.055 8.403 0.652 1
1 610 . 18 1 1 A 52 52 GLN HA H 52 4.042 3.912 0.130 1
1 617 . 18 1 1 A 52 52 GLN C C 52 176.011 176.472 -0.461 1
1 618 . 18 1 1 A 52 52 GLN CA C 52 58.264 57.520 0.744 1
1 619 . 18 1 1 A 52 52 GLN CB C 52 28.458 28.400 0.058 1
1 621 . 18 1 1 A 52 52 GLN N N 52 130.354 125.094 5.260 1
1 623 . 18 1 1 A 53 53 ASP H H 53 9.244 9.001 0.243 1
1 624 . 18 1 1 A 53 53 ASP HA H 53 4.529 4.436 0.093 1
1 627 . 18 1 1 A 53 53 ASP C C 53 176.419 176.133 0.286 1
1 628 . 18 1 1 A 53 53 ASP CA C 53 56.605 55.013 1.592 1
1 629 . 18 1 1 A 53 53 ASP CB C 53 39.788 38.718 1.070 1
1 630 . 18 1 1 A 53 53 ASP N N 53 119.289 126.017 -6.728 1
1 631 . 18 1 1 A 54 54 TYR H H 54 7.920 8.333 -0.413 1
1 632 . 18 1 1 A 54 54 TYR HA H 54 4.388 4.344 0.044 1
1 639 . 18 1 1 A 54 54 TYR C C 54 178.807 177.461 1.346 1
1 640 . 18 1 1 A 54 54 TYR CA C 54 57.557 61.208 -3.651 1
1 641 . 18 1 1 A 54 54 TYR CB C 54 37.745 38.616 -0.871 1
1 646 . 18 1 1 A 54 54 TYR N N 54 120.852 121.065 -0.213 1
1 647 . 18 1 1 A 55 55 ASP H H 55 8.942 8.134 0.808 1
1 648 . 18 1 1 A 55 55 ASP HA H 55 4.155 4.246 -0.091 1
1 651 . 18 1 1 A 55 55 ASP C C 55 178.492 179.208 -0.716 1
1 652 . 18 1 1 A 55 55 ASP CA C 55 57.839 57.335 0.504 1
1 653 . 18 1 1 A 55 55 ASP CB C 55 39.955 40.355 -0.400 1
1 654 . 18 1 1 A 55 55 ASP N N 55 114.884 120.334 -5.450 1
1 655 . 18 1 1 A 56 56 LEU H H 56 7.585 8.422 -0.837 1
1 656 . 18 1 1 A 56 56 LEU HA H 56 3.968 3.945 0.023 1
1 666 . 18 1 1 A 56 56 LEU C C 56 180.237 179.362 0.875 1
1 667 . 18 1 1 A 56 56 LEU CA C 56 57.892 58.250 -0.358 1
1 668 . 18 1 1 A 56 56 LEU CB C 56 41.204 42.148 -0.944 1
1 672 . 18 1 1 A 56 56 LEU N N 56 121.328 120.445 0.883 1
1 673 . 18 1 1 A 57 57 PHE H H 57 7.735 8.326 -0.591 1
1 674 . 18 1 1 A 57 57 PHE HA H 57 4.182 4.212 -0.030 1
1 682 . 18 1 1 A 57 57 PHE C C 57 179.437 178.260 1.177 1
1 683 . 18 1 1 A 57 57 PHE CA C 57 62.756 61.132 1.624 1
1 684 . 18 1 1 A 57 57 PHE CB C 57 38.803 38.850 -0.047 1
1 690 . 18 1 1 A 57 57 PHE N N 57 118.200 117.419 0.781 1
1 691 . 18 1 1 A 58 58 LYS H H 58 8.834 7.894 0.940 1
1 692 . 18 1 1 A 58 58 LYS HA H 58 3.515 3.599 -0.084 1
1 701 . 18 1 1 A 58 58 LYS C C 58 177.565 179.184 -1.619 1
1 702 . 18 1 1 A 58 58 LYS CA C 58 60.851 59.442 1.409 1
1 703 . 18 1 1 A 58 58 LYS CB C 58 33.102 31.773 1.329 1
1 707 . 18 1 1 A 58 58 LYS N N 58 123.283 117.980 5.303 1
1 708 . 18 1 1 A 59 59 GLN H H 59 7.955 8.157 -0.202 1
1 709 . 18 1 1 A 59 59 GLN HA H 59 4.104 4.222 -0.118 1
1 716 . 18 1 1 A 59 59 GLN C C 59 178.948 178.263 0.685 1
1 717 . 18 1 1 A 59 59 GLN CA C 59 59.249 58.565 0.684 1
1 718 . 18 1 1 A 59 59 GLN CB C 59 28.185 28.716 -0.531 1
1 720 . 18 1 1 A 59 59 GLN N N 59 117.353 120.054 -2.701 1
1 722 . 18 1 1 A 60 60 SER H H 60 7.821 7.800 0.021 1
1 723 . 18 1 1 A 60 60 SER HA H 60 4.233 4.271 -0.038 1
1 726 . 18 1 1 A 60 60 SER C C 60 176.403 176.128 0.275 1
1 727 . 18 1 1 A 60 60 SER CA C 60 60.954 61.638 -0.684 1
1 728 . 18 1 1 A 60 60 SER CB C 60 63.007 63.310 -0.303 1
1 729 . 18 1 1 A 60 60 SER N N 60 112.660 114.676 -2.016 1
1 730 . 18 1 1 A 61 61 TYR H H 61 7.858 8.359 -0.501 1
1 731 . 18 1 1 A 61 61 TYR HA H 61 4.084 4.067 0.017 1
1 734 . 18 1 1 A 61 61 TYR C C 61 177.358 177.545 -0.187 1
1 735 . 18 1 1 A 61 61 TYR CA C 61 61.217 62.095 -0.878 1
1 736 . 18 1 1 A 61 61 TYR CB C 61 38.470 38.429 0.041 1
1 739 . 18 1 1 A 61 61 TYR N N 61 122.550 121.716 0.834 1
1 740 . 18 1 1 A 62 62 TRP H H 62 7.754 7.624 0.130 1
1 741 . 18 1 1 A 62 62 TRP HA H 62 4.273 4.284 -0.011 1
1 750 . 18 1 1 A 62 62 TRP C C 62 176.694 178.979 -2.285 1
1 751 . 18 1 1 A 62 62 TRP CA C 62 58.061 60.566 -2.505 1
1 752 . 18 1 1 A 62 62 TRP CB C 62 30.047 29.278 0.769 1
1 758 . 18 1 1 A 62 62 TRP N N 62 116.320 119.875 -3.555 1
1 760 . 18 1 1 A 63 63 ASN H H 63 7.800 8.448 -0.648 1
1 761 . 18 1 1 A 63 63 ASN HA H 63 4.688 4.369 0.319 1
1 766 . 18 1 1 A 63 63 ASN C C 63 174.055 177.268 -3.213 1
1 767 . 18 1 1 A 63 63 ASN CA C 63 53.484 56.381 -2.897 1
1 768 . 18 1 1 A 63 63 ASN CB C 63 38.645 38.102 0.543 1
1 769 . 18 1 1 A 63 63 ASN N N 63 117.543 117.827 -0.284 1
1 1 . 19 1 1 A 6 6 SER HA H 6 4.447 4.457 -0.010 1
1 3 . 19 1 1 A 6 6 SER C C 6 174.919 174.664 0.255 1
1 4 . 19 1 1 A 6 6 SER CA C 6 58.632 60.274 -1.642 1
1 5 . 19 1 1 A 6 6 SER CB C 6 63.826 63.753 0.073 1
1 6 . 19 1 1 A 7 7 GLY H H 7 8.381 7.426 0.955 1
1 7 . 19 1 1 A 7 7 GLY HA2 H 7 3.956 4.004 -0.048 1
1 8 . 19 1 1 A 7 7 GLY HA3 H 7 3.907 4.007 -0.100 1
1 9 . 19 1 1 A 7 7 GLY C C 7 173.610 171.960 1.650 1
1 10 . 19 1 1 A 7 7 GLY CA C 7 45.128 45.202 -0.074 1
1 11 . 19 1 1 A 7 7 GLY N N 7 110.672 104.556 6.116 1
1 12 . 19 1 1 A 8 8 LYS H H 8 7.989 8.238 -0.249 1
1 13 . 19 1 1 A 8 8 LYS HA H 8 4.430 4.756 -0.326 1
1 22 . 19 1 1 A 8 8 LYS C C 8 174.322 173.752 0.570 1
1 23 . 19 1 1 A 8 8 LYS CA C 8 53.436 53.087 0.349 1
1 24 . 19 1 1 A 8 8 LYS CB C 8 31.892 34.101 -2.209 1
1 28 . 19 1 1 A 8 8 LYS N N 8 121.270 119.864 1.406 1
1 29 . 19 1 1 A 9 9 PRO HA H 9 4.131 4.515 -0.384 1
1 36 . 19 1 1 A 9 9 PRO C C 9 177.331 176.953 0.378 1
1 37 . 19 1 1 A 9 9 PRO CA C 9 62.970 62.578 0.392 1
1 38 . 19 1 1 A 9 9 PRO CB C 9 31.894 32.271 -0.377 1
1 41 . 19 1 1 A 10 10 GLU H H 10 8.649 8.608 0.041 1
1 42 . 19 1 1 A 10 10 GLU HA H 10 3.960 3.924 0.036 1
1 47 . 19 1 1 A 10 10 GLU C C 10 175.849 178.667 -2.818 1
1 48 . 19 1 1 A 10 10 GLU CA C 10 58.051 58.975 -0.924 1
1 49 . 19 1 1 A 10 10 GLU CB C 10 29.627 29.381 0.246 1
1 51 . 19 1 1 A 10 10 GLU N N 10 120.707 121.874 -1.167 1
1 52 . 19 1 1 A 11 11 TRP H H 11 7.131 8.176 -1.045 1
1 53 . 19 1 1 A 11 11 TRP HA H 11 4.548 4.495 0.053 1
1 62 . 19 1 1 A 11 11 TRP C C 11 176.362 176.756 -0.394 1
1 63 . 19 1 1 A 11 11 TRP CA C 11 55.758 59.954 -4.196 1
1 64 . 19 1 1 A 11 11 TRP CB C 11 29.285 28.129 1.156 1
1 70 . 19 1 1 A 11 11 TRP N N 11 115.904 119.155 -3.251 1
1 72 . 19 1 1 A 12 12 MET H H 12 7.289 6.866 0.423 1
1 73 . 19 1 1 A 12 12 MET HA H 12 4.054 3.849 0.205 1
1 81 . 19 1 1 A 12 12 MET C C 12 174.357 175.610 -1.253 1
1 82 . 19 1 1 A 12 12 MET CA C 12 55.900 53.971 1.929 1
1 83 . 19 1 1 A 12 12 MET CB C 12 31.808 31.986 -0.178 1
1 86 . 19 1 1 A 12 12 MET N N 12 122.155 121.046 1.109 1
1 87 . 19 1 1 A 13 13 MET H H 13 8.569 9.103 -0.534 1
1 88 . 19 1 1 A 13 13 MET HA H 13 4.890 5.270 -0.380 1
1 96 . 19 1 1 A 13 13 MET C C 13 175.898 174.933 0.965 1
1 97 . 19 1 1 A 13 13 MET CA C 13 53.784 53.959 -0.175 1
1 98 . 19 1 1 A 13 13 MET CB C 13 35.100 36.496 -1.396 1
1 101 . 19 1 1 A 13 13 MET N N 13 121.084 123.291 -2.207 1
1 102 . 19 1 1 A 14 14 ILE H H 14 9.144 8.605 0.539 1
1 103 . 19 1 1 A 14 14 ILE HA H 14 2.912 4.368 -1.456 1
1 113 . 19 1 1 A 14 14 ILE C C 14 174.810 176.014 -1.204 1
1 114 . 19 1 1 A 14 14 ILE CA C 14 63.803 60.209 3.594 1
1 115 . 19 1 1 A 14 14 ILE CB C 14 38.974 38.782 0.192 1
1 119 . 19 1 1 A 14 14 ILE N N 14 125.919 120.325 5.594 1
1 120 . 19 1 1 A 15 15 HIS H H 15 8.926 8.446 0.480 1
1 121 . 19 1 1 A 15 15 HIS HA H 15 4.690 4.330 0.360 1
1 125 . 19 1 1 A 15 15 HIS C C 15 174.715 174.979 -0.264 1
1 126 . 19 1 1 A 15 15 HIS CA C 15 55.829 59.777 -3.948 1
1 127 . 19 1 1 A 15 15 HIS CB C 15 33.853 30.402 3.451 1
1 129 . 19 1 1 A 15 15 HIS N N 15 125.470 128.184 -2.714 1
1 130 . 19 1 1 A 16 16 ARG H H 16 7.529 7.570 -0.041 1
1 131 . 19 1 1 A 16 16 ARG HA H 16 4.193 4.863 -0.670 1
1 138 . 19 1 1 A 16 16 ARG C C 16 173.315 174.448 -1.133 1
1 139 . 19 1 1 A 16 16 ARG CA C 16 55.329 55.377 -0.048 1
1 140 . 19 1 1 A 16 16 ARG CB C 16 33.252 32.751 0.501 1
1 143 . 19 1 1 A 16 16 ARG N N 16 111.315 114.126 -2.811 1
1 144 . 19 1 1 A 17 17 ILE H H 17 8.396 8.927 -0.531 1
1 145 . 19 1 1 A 17 17 ILE HA H 17 4.052 3.940 0.112 1
1 155 . 19 1 1 A 17 17 ILE C C 17 175.341 175.282 0.059 1
1 156 . 19 1 1 A 17 17 ILE CA C 17 61.859 61.556 0.303 1
1 157 . 19 1 1 A 17 17 ILE CB C 17 37.952 36.644 1.308 1
1 161 . 19 1 1 A 17 17 ILE N N 17 121.157 123.965 -2.808 1
1 162 . 19 1 1 A 18 18 LEU H H 18 9.102 8.400 0.702 1
1 163 . 19 1 1 A 18 18 LEU HA H 18 4.253 3.893 0.360 1
1 173 . 19 1 1 A 18 18 LEU C C 18 176.622 176.353 0.269 1
1 174 . 19 1 1 A 18 18 LEU CA C 18 55.422 57.015 -1.593 1
1 175 . 19 1 1 A 18 18 LEU CB C 18 43.410 41.897 1.513 1
1 179 . 19 1 1 A 18 18 LEU N N 18 124.326 129.868 -5.542 1
1 180 . 19 1 1 A 19 19 ASN H H 19 7.343 7.359 -0.016 1
1 181 . 19 1 1 A 19 19 ASN HA H 19 5.227 4.905 0.322 1
1 186 . 19 1 1 A 19 19 ASN C C 19 172.527 173.244 -0.717 1
1 187 . 19 1 1 A 19 19 ASN CA C 19 51.140 52.240 -1.100 1
1 188 . 19 1 1 A 19 19 ASN CB C 19 40.795 41.638 -0.843 1
1 189 . 19 1 1 A 19 19 ASN N N 19 113.895 111.938 1.957 1
1 191 . 19 1 1 A 20 20 HIS H H 20 8.816 8.938 -0.122 1
1 192 . 19 1 1 A 20 20 HIS HA H 20 5.875 6.108 -0.233 1
1 197 . 19 1 1 A 20 20 HIS C C 20 173.013 172.720 0.293 1
1 198 . 19 1 1 A 20 20 HIS CA C 20 55.932 54.105 1.827 1
1 199 . 19 1 1 A 20 20 HIS CB C 20 35.190 33.749 1.441 1
1 202 . 19 1 1 A 20 20 HIS N N 20 118.537 116.673 1.864 1
1 203 . 19 1 1 A 21 21 SER H H 21 9.203 8.767 0.436 1
1 204 . 19 1 1 A 21 21 SER HA H 21 4.399 4.708 -0.309 1
1 207 . 19 1 1 A 21 21 SER C C 21 172.382 172.906 -0.524 1
1 208 . 19 1 1 A 21 21 SER CA C 21 57.063 56.426 0.637 1
1 209 . 19 1 1 A 21 21 SER CB C 21 65.417 65.591 -0.174 1
1 210 . 19 1 1 A 21 21 SER N N 21 115.006 114.451 0.555 1
1 211 . 19 1 1 A 22 22 VAL H H 22 8.493 8.968 -0.475 1
1 212 . 19 1 1 A 22 22 VAL HA H 22 4.961 4.565 0.396 1
1 220 . 19 1 1 A 22 22 VAL C C 22 176.199 175.390 0.809 1
1 221 . 19 1 1 A 22 22 VAL CA C 22 61.066 61.451 -0.385 1
1 222 . 19 1 1 A 22 22 VAL CB C 22 33.732 32.612 1.120 1
1 225 . 19 1 1 A 22 22 VAL N N 22 124.080 126.588 -2.508 1
1 226 . 19 1 1 A 23 23 ASP H H 23 8.667 7.988 0.679 1
1 227 . 19 1 1 A 23 23 ASP HA H 23 4.688 4.416 0.272 1
1 230 . 19 1 1 A 23 23 ASP C C 23 178.629 177.381 1.248 1
1 231 . 19 1 1 A 23 23 ASP CA C 23 52.814 53.856 -1.042 1
1 232 . 19 1 1 A 23 23 ASP CB C 23 41.525 42.243 -0.718 1
1 233 . 19 1 1 A 23 23 ASP N N 23 127.673 127.629 0.044 1
1 234 . 19 1 1 A 24 24 LYS H H 24 8.242 8.882 -0.640 1
1 235 . 19 1 1 A 24 24 LYS HA H 24 4.077 3.836 0.241 1
1 244 . 19 1 1 A 24 24 LYS C C 24 177.637 178.368 -0.731 1
1 245 . 19 1 1 A 24 24 LYS CA C 24 58.419 60.230 -1.811 1
1 246 . 19 1 1 A 24 24 LYS CB C 24 32.057 32.052 0.005 1
1 250 . 19 1 1 A 24 24 LYS N N 24 116.378 125.968 -9.590 1
1 251 . 19 1 1 A 25 25 LYS H H 25 8.128 7.293 0.835 1
1 252 . 19 1 1 A 25 25 LYS HA H 25 4.379 4.095 0.284 1
1 261 . 19 1 1 A 25 25 LYS C C 25 176.600 176.497 0.103 1
1 262 . 19 1 1 A 25 25 LYS CA C 25 55.411 57.275 -1.864 1
1 263 . 19 1 1 A 25 25 LYS CB C 25 32.516 32.861 -0.345 1
1 267 . 19 1 1 A 25 25 LYS N N 25 118.184 117.282 0.902 1
1 268 . 19 1 1 A 26 26 GLY H H 26 8.040 7.865 0.175 1
1 269 . 19 1 1 A 26 26 GLY HA2 H 26 4.125 4.043 0.082 1
1 270 . 19 1 1 A 26 26 GLY HA3 H 26 3.428 4.075 -0.647 1
1 271 . 19 1 1 A 26 26 GLY C C 26 174.048 174.792 -0.744 1
1 272 . 19 1 1 A 26 26 GLY CA C 26 45.235 45.408 -0.173 1
1 273 . 19 1 1 A 26 26 GLY N N 26 108.208 105.717 2.491 1
1 274 . 19 1 1 A 27 27 HIS H H 27 8.599 8.039 0.560 1
1 275 . 19 1 1 A 27 27 HIS HA H 27 4.491 4.442 0.049 1
1 279 . 19 1 1 A 27 27 HIS C C 27 174.516 174.500 0.016 1
1 280 . 19 1 1 A 27 27 HIS CA C 27 55.935 57.495 -1.560 1
1 281 . 19 1 1 A 27 27 HIS CB C 27 29.257 30.287 -1.030 1
1 283 . 19 1 1 A 27 27 HIS N N 27 123.031 119.244 3.787 1
1 284 . 19 1 1 A 28 28 VAL H H 28 8.330 8.719 -0.389 1
1 285 . 19 1 1 A 28 28 VAL HA H 28 4.776 4.015 0.761 1
1 293 . 19 1 1 A 28 28 VAL C C 28 174.798 175.600 -0.802 1
1 294 . 19 1 1 A 28 28 VAL CA C 28 62.070 63.199 -1.129 1
1 295 . 19 1 1 A 28 28 VAL CB C 28 32.965 32.392 0.573 1
1 298 . 19 1 1 A 28 28 VAL N N 28 127.641 124.983 2.658 1
1 299 . 19 1 1 A 29 29 HIS H H 29 8.887 9.441 -0.554 1
1 300 . 19 1 1 A 29 29 HIS HA H 29 5.071 5.261 -0.190 1
1 305 . 19 1 1 A 29 29 HIS C C 29 173.998 174.165 -0.167 1
1 306 . 19 1 1 A 29 29 HIS CA C 29 54.841 54.211 0.630 1
1 307 . 19 1 1 A 29 29 HIS CB C 29 33.921 33.587 0.334 1
1 310 . 19 1 1 A 29 29 HIS N N 29 124.946 125.612 -0.666 1
1 311 . 19 1 1 A 30 30 TYR H H 30 9.630 9.269 0.361 1
1 312 . 19 1 1 A 30 30 TYR HA H 30 5.092 5.132 -0.040 1
1 319 . 19 1 1 A 30 30 TYR C C 30 173.451 174.629 -1.178 1
1 320 . 19 1 1 A 30 30 TYR CA C 30 57.627 56.411 1.216 1
1 321 . 19 1 1 A 30 30 TYR CB C 30 41.124 41.145 -0.021 1
1 326 . 19 1 1 A 30 30 TYR N N 30 119.246 120.522 -1.276 1
1 327 . 19 1 1 A 31 31 LEU H H 31 7.804 8.588 -0.784 1
1 328 . 19 1 1 A 31 31 LEU HA H 31 3.561 3.486 0.075 1
1 338 . 19 1 1 A 31 31 LEU C C 31 173.742 174.379 -0.637 1
1 339 . 19 1 1 A 31 31 LEU CA C 31 53.120 53.972 -0.852 1
1 340 . 19 1 1 A 31 31 LEU CB C 31 39.479 40.746 -1.267 1
1 344 . 19 1 1 A 31 31 LEU N N 31 125.982 126.130 -0.148 1
1 345 . 19 1 1 A 32 32 ILE H H 32 8.861 7.922 0.939 1
1 346 . 19 1 1 A 32 32 ILE HA H 32 3.402 3.883 -0.481 1
1 356 . 19 1 1 A 32 32 ILE C C 32 173.769 174.508 -0.739 1
1 357 . 19 1 1 A 32 32 ILE CA C 32 61.356 61.180 0.176 1
1 358 . 19 1 1 A 32 32 ILE CB C 32 39.405 37.273 2.132 1
1 362 . 19 1 1 A 32 32 ILE N N 32 129.827 127.325 2.502 1
1 363 . 19 1 1 A 33 33 LYS H H 33 7.951 8.438 -0.487 1
1 364 . 19 1 1 A 33 33 LYS HA H 33 4.111 4.388 -0.277 1
1 373 . 19 1 1 A 33 33 LYS C C 33 174.920 174.934 -0.014 1
1 374 . 19 1 1 A 33 33 LYS CA C 33 54.849 54.415 0.434 1
1 375 . 19 1 1 A 33 33 LYS CB C 33 33.162 32.992 0.170 1
1 379 . 19 1 1 A 33 33 LYS N N 33 124.612 127.345 -2.733 1
1 380 . 19 1 1 A 34 34 TRP H H 34 8.145 8.082 0.063 1
1 381 . 19 1 1 A 34 34 TRP HA H 34 4.690 4.472 0.218 1
1 390 . 19 1 1 A 34 34 TRP C C 34 177.144 177.175 -0.031 1
1 391 . 19 1 1 A 34 34 TRP CA C 34 55.582 58.419 -2.837 1
1 392 . 19 1 1 A 34 34 TRP CB C 34 30.832 29.649 1.183 1
1 398 . 19 1 1 A 34 34 TRP N N 34 132.766 127.534 5.232 1
1 400 . 19 1 1 A 35 35 ARG H H 35 9.199 8.667 0.532 1
1 401 . 19 1 1 A 35 35 ARG HA H 35 3.742 4.204 -0.462 1
1 408 . 19 1 1 A 35 35 ARG C C 35 176.307 178.280 -1.973 1
1 409 . 19 1 1 A 35 35 ARG CA C 35 58.738 60.262 -1.524 1
1 410 . 19 1 1 A 35 35 ARG CB C 35 30.254 30.133 0.121 1
1 413 . 19 1 1 A 35 35 ARG N N 35 124.433 126.292 -1.859 1
1 414 . 19 1 1 A 36 36 ASP H H 36 8.812 8.455 0.357 1
1 415 . 19 1 1 A 36 36 ASP HA H 36 4.294 4.487 -0.193 1
1 418 . 19 1 1 A 36 36 ASP C C 36 174.269 176.644 -2.375 1
1 419 . 19 1 1 A 36 36 ASP CA C 36 55.948 57.569 -1.621 1
1 420 . 19 1 1 A 36 36 ASP CB C 36 39.960 41.945 -1.985 1
1 421 . 19 1 1 A 36 36 ASP N N 36 115.622 119.635 -4.013 1
1 422 . 19 1 1 A 37 37 LEU H H 37 7.372 7.778 -0.406 1
1 423 . 19 1 1 A 37 37 LEU HA H 37 4.966 4.532 0.434 1
1 433 . 19 1 1 A 37 37 LEU C C 37 174.638 174.872 -0.234 1
1 434 . 19 1 1 A 37 37 LEU CA C 37 51.968 53.498 -1.530 1
1 435 . 19 1 1 A 37 37 LEU CB C 37 44.421 41.171 3.250 1
1 439 . 19 1 1 A 37 37 LEU N N 37 119.137 120.396 -1.259 1
1 440 . 19 1 1 A 38 38 PRO HA H 38 4.559 4.592 -0.033 1
1 447 . 19 1 1 A 38 38 PRO C C 38 178.256 176.446 1.810 1
1 448 . 19 1 1 A 38 38 PRO CA C 38 62.332 62.377 -0.045 1
1 449 . 19 1 1 A 38 38 PRO CB C 38 33.232 33.350 -0.118 1
1 452 . 19 1 1 A 39 39 TYR H H 39 8.933 8.899 0.034 1
1 453 . 19 1 1 A 39 39 TYR HA H 39 3.758 4.074 -0.316 1
1 460 . 19 1 1 A 39 39 TYR C C 39 177.241 177.615 -0.374 1
1 461 . 19 1 1 A 39 39 TYR CA C 39 62.934 61.384 1.550 1
1 462 . 19 1 1 A 39 39 TYR CB C 39 38.451 38.367 0.084 1
1 467 . 19 1 1 A 39 39 TYR N N 39 122.113 120.959 1.154 1
1 468 . 19 1 1 A 40 40 ASP H H 40 8.439 8.501 -0.062 1
1 469 . 19 1 1 A 40 40 ASP HA H 40 4.407 4.415 -0.008 1
1 472 . 19 1 1 A 40 40 ASP C C 40 176.645 177.955 -1.310 1
1 473 . 19 1 1 A 40 40 ASP CA C 40 55.335 56.864 -1.529 1
1 474 . 19 1 1 A 40 40 ASP CB C 40 39.476 40.168 -0.692 1
1 475 . 19 1 1 A 40 40 ASP N N 40 115.019 120.110 -5.091 1
1 476 . 19 1 1 A 41 41 GLN H H 41 7.761 7.622 0.139 1
1 477 . 19 1 1 A 41 41 GLN HA H 41 4.457 4.365 0.092 1
1 484 . 19 1 1 A 41 41 GLN C C 41 175.665 176.456 -0.791 1
1 485 . 19 1 1 A 41 41 GLN CA C 41 55.031 56.907 -1.876 1
1 486 . 19 1 1 A 41 41 GLN CB C 41 29.606 29.588 0.018 1
1 488 . 19 1 1 A 41 41 GLN N N 41 117.630 116.835 0.795 1
1 490 . 19 1 1 A 42 42 ALA H H 42 7.379 7.299 0.080 1
1 491 . 19 1 1 A 42 42 ALA HA H 42 4.776 4.079 0.697 1
1 495 . 19 1 1 A 42 42 ALA C C 42 177.103 176.670 0.433 1
1 496 . 19 1 1 A 42 42 ALA CA C 42 53.572 53.004 0.568 1
1 497 . 19 1 1 A 42 42 ALA CB C 42 18.951 19.095 -0.144 1
1 498 . 19 1 1 A 42 42 ALA N N 42 123.425 123.587 -0.162 1
1 499 . 19 1 1 A 43 43 SER H H 43 8.521 7.990 0.531 1
1 500 . 19 1 1 A 43 43 SER HA H 43 4.861 5.212 -0.351 1
1 503 . 19 1 1 A 43 43 SER C C 43 172.947 172.962 -0.015 1
1 504 . 19 1 1 A 43 43 SER CA C 43 56.852 56.333 0.519 1
1 505 . 19 1 1 A 43 43 SER CB C 43 66.734 66.317 0.417 1
1 506 . 19 1 1 A 43 43 SER N N 43 115.967 115.097 0.870 1
1 507 . 19 1 1 A 44 44 TRP H H 44 8.699 8.944 -0.245 1
1 508 . 19 1 1 A 44 44 TRP HA H 44 5.081 5.013 0.068 1
1 517 . 19 1 1 A 44 44 TRP C C 44 177.207 176.244 0.963 1
1 518 . 19 1 1 A 44 44 TRP CA C 44 56.648 56.952 -0.304 1
1 519 . 19 1 1 A 44 44 TRP CB C 44 29.592 31.050 -1.458 1
1 525 . 19 1 1 A 44 44 TRP N N 44 123.015 124.296 -1.281 1
1 527 . 19 1 1 A 45 45 GLU H H 45 9.773 8.917 0.856 1
1 528 . 19 1 1 A 45 45 GLU HA H 45 5.156 4.956 0.200 1
1 533 . 19 1 1 A 45 45 GLU C C 45 176.249 176.215 0.034 1
1 534 . 19 1 1 A 45 45 GLU CA C 45 53.378 54.683 -1.305 1
1 535 . 19 1 1 A 45 45 GLU CB C 45 31.950 32.088 -0.138 1
1 537 . 19 1 1 A 45 45 GLU N N 45 122.799 122.265 0.534 1
1 538 . 19 1 1 A 46 46 SER H H 46 9.121 8.590 0.531 1
1 539 . 19 1 1 A 46 46 SER HA H 46 4.106 4.515 -0.409 1
1 542 . 19 1 1 A 46 46 SER C C 46 178.218 176.094 2.124 1
1 543 . 19 1 1 A 46 46 SER CA C 46 58.791 59.189 -0.398 1
1 544 . 19 1 1 A 46 46 SER CB C 46 63.100 64.272 -1.172 1
1 545 . 19 1 1 A 46 46 SER N N 46 116.892 121.039 -4.147 1
1 546 . 19 1 1 A 47 47 GLU H H 47 8.588 9.240 -0.652 1
1 547 . 19 1 1 A 47 47 GLU HA H 47 4.327 4.734 -0.407 1
1 552 . 19 1 1 A 47 47 GLU C C 47 174.707 176.615 -1.908 1
1 553 . 19 1 1 A 47 47 GLU CA C 47 58.693 57.313 1.380 1
1 554 . 19 1 1 A 47 47 GLU CB C 47 29.990 28.920 1.070 1
1 556 . 19 1 1 A 47 47 GLU N N 47 125.534 122.196 3.338 1
1 557 . 19 1 1 A 48 48 ASP H H 48 8.415 8.070 0.345 1
1 558 . 19 1 1 A 48 48 ASP HA H 48 4.847 4.908 -0.061 1
1 561 . 19 1 1 A 48 48 ASP C C 48 176.853 175.668 1.185 1
1 562 . 19 1 1 A 48 48 ASP CA C 48 54.472 53.903 0.569 1
1 563 . 19 1 1 A 48 48 ASP CB C 48 41.795 42.252 -0.457 1
1 564 . 19 1 1 A 48 48 ASP N N 48 117.812 118.913 -1.101 1
1 565 . 19 1 1 A 49 49 VAL H H 49 7.192 7.090 0.102 1
1 566 . 19 1 1 A 49 49 VAL HA H 49 4.137 4.171 -0.034 1
1 574 . 19 1 1 A 49 49 VAL C C 49 175.326 175.241 0.085 1
1 575 . 19 1 1 A 49 49 VAL CA C 49 62.987 61.535 1.452 1
1 576 . 19 1 1 A 49 49 VAL CB C 49 32.759 32.715 0.044 1
1 579 . 19 1 1 A 49 49 VAL N N 49 118.329 117.199 1.130 1
1 580 . 19 1 1 A 50 50 GLU H H 50 8.417 8.743 -0.326 1
1 581 . 19 1 1 A 50 50 GLU HA H 50 4.526 4.806 -0.280 1
1 586 . 19 1 1 A 50 50 GLU C C 50 175.395 175.707 -0.312 1
1 587 . 19 1 1 A 50 50 GLU CA C 50 56.376 55.555 0.821 1
1 588 . 19 1 1 A 50 50 GLU CB C 50 29.216 30.449 -1.233 1
1 590 . 19 1 1 A 50 50 GLU N N 50 124.475 124.072 0.403 1
1 591 . 19 1 1 A 51 51 ILE H H 51 7.483 8.456 -0.973 1
1 592 . 19 1 1 A 51 51 ILE HA H 51 4.068 4.642 -0.574 1
1 602 . 19 1 1 A 51 51 ILE C C 51 175.838 174.973 0.865 1
1 603 . 19 1 1 A 51 51 ILE CA C 51 60.572 59.389 1.183 1
1 604 . 19 1 1 A 51 51 ILE CB C 51 41.701 41.747 -0.046 1
1 608 . 19 1 1 A 51 51 ILE N N 51 125.565 124.791 0.774 1
1 609 . 19 1 1 A 52 52 GLN H H 52 9.055 8.548 0.507 1
1 610 . 19 1 1 A 52 52 GLN HA H 52 4.042 3.889 0.153 1
1 617 . 19 1 1 A 52 52 GLN C C 52 176.011 176.266 -0.255 1
1 618 . 19 1 1 A 52 52 GLN CA C 52 58.264 57.501 0.763 1
1 619 . 19 1 1 A 52 52 GLN CB C 52 28.458 28.440 0.018 1
1 621 . 19 1 1 A 52 52 GLN N N 52 130.354 125.012 5.342 1
1 623 . 19 1 1 A 53 53 ASP H H 53 9.244 9.530 -0.286 1
1 624 . 19 1 1 A 53 53 ASP HA H 53 4.529 4.350 0.179 1
1 627 . 19 1 1 A 53 53 ASP C C 53 176.419 175.813 0.606 1
1 628 . 19 1 1 A 53 53 ASP CA C 53 56.605 55.544 1.061 1
1 629 . 19 1 1 A 53 53 ASP CB C 53 39.788 39.187 0.601 1
1 630 . 19 1 1 A 53 53 ASP N N 53 119.289 121.963 -2.674 1
1 631 . 19 1 1 A 54 54 TYR H H 54 7.920 8.453 -0.533 1
1 632 . 19 1 1 A 54 54 TYR HA H 54 4.388 4.327 0.061 1
1 639 . 19 1 1 A 54 54 TYR C C 54 178.807 177.328 1.479 1
1 640 . 19 1 1 A 54 54 TYR CA C 54 57.557 61.387 -3.830 1
1 641 . 19 1 1 A 54 54 TYR CB C 54 37.745 39.191 -1.446 1
1 646 . 19 1 1 A 54 54 TYR N N 54 120.852 119.281 1.571 1
1 647 . 19 1 1 A 55 55 ASP H H 55 8.942 8.355 0.587 1
1 648 . 19 1 1 A 55 55 ASP HA H 55 4.155 4.084 0.071 1
1 651 . 19 1 1 A 55 55 ASP C C 55 178.492 178.924 -0.432 1
1 652 . 19 1 1 A 55 55 ASP CA C 55 57.839 57.311 0.528 1
1 653 . 19 1 1 A 55 55 ASP CB C 55 39.955 40.291 -0.336 1
1 654 . 19 1 1 A 55 55 ASP N N 55 114.884 119.577 -4.693 1
1 655 . 19 1 1 A 56 56 LEU H H 56 7.585 8.229 -0.644 1
1 656 . 19 1 1 A 56 56 LEU HA H 56 3.968 3.910 0.058 1
1 666 . 19 1 1 A 56 56 LEU C C 56 180.237 179.091 1.146 1
1 667 . 19 1 1 A 56 56 LEU CA C 56 57.892 58.296 -0.404 1
1 668 . 19 1 1 A 56 56 LEU CB C 56 41.204 41.950 -0.746 1
1 672 . 19 1 1 A 56 56 LEU N N 56 121.328 120.461 0.867 1
1 673 . 19 1 1 A 57 57 PHE H H 57 7.735 8.152 -0.417 1
1 674 . 19 1 1 A 57 57 PHE HA H 57 4.182 4.178 0.004 1
1 682 . 19 1 1 A 57 57 PHE C C 57 179.437 178.130 1.307 1
1 683 . 19 1 1 A 57 57 PHE CA C 57 62.756 61.061 1.695 1
1 684 . 19 1 1 A 57 57 PHE CB C 57 38.803 38.924 -0.121 1
1 690 . 19 1 1 A 57 57 PHE N N 57 118.200 117.278 0.922 1
1 691 . 19 1 1 A 58 58 LYS H H 58 8.834 7.847 0.987 1
1 692 . 19 1 1 A 58 58 LYS HA H 58 3.515 3.610 -0.095 1
1 701 . 19 1 1 A 58 58 LYS C C 58 177.565 179.002 -1.437 1
1 702 . 19 1 1 A 58 58 LYS CA C 58 60.851 59.624 1.227 1
1 703 . 19 1 1 A 58 58 LYS CB C 58 33.102 31.934 1.168 1
1 707 . 19 1 1 A 58 58 LYS N N 58 123.283 117.859 5.424 1
1 708 . 19 1 1 A 59 59 GLN H H 59 7.955 8.398 -0.443 1
1 709 . 19 1 1 A 59 59 GLN HA H 59 4.104 4.184 -0.080 1
1 716 . 19 1 1 A 59 59 GLN C C 59 178.948 178.263 0.685 1
1 717 . 19 1 1 A 59 59 GLN CA C 59 59.249 58.872 0.377 1
1 718 . 19 1 1 A 59 59 GLN CB C 59 28.185 28.444 -0.259 1
1 720 . 19 1 1 A 59 59 GLN N N 59 117.353 120.112 -2.759 1
1 722 . 19 1 1 A 60 60 SER H H 60 7.821 7.985 -0.164 1
1 723 . 19 1 1 A 60 60 SER HA H 60 4.233 4.152 0.081 1
1 726 . 19 1 1 A 60 60 SER C C 60 176.403 176.342 0.061 1
1 727 . 19 1 1 A 60 60 SER CA C 60 60.954 61.754 -0.800 1
1 728 . 19 1 1 A 60 60 SER CB C 60 63.007 63.290 -0.283 1
1 729 . 19 1 1 A 60 60 SER N N 60 112.660 114.464 -1.804 1
1 730 . 19 1 1 A 61 61 TYR H H 61 7.858 8.367 -0.509 1
1 731 . 19 1 1 A 61 61 TYR HA H 61 4.084 4.071 0.013 1
1 734 . 19 1 1 A 61 61 TYR C C 61 177.358 177.506 -0.148 1
1 735 . 19 1 1 A 61 61 TYR CA C 61 61.217 62.073 -0.856 1
1 736 . 19 1 1 A 61 61 TYR CB C 61 38.470 38.425 0.045 1
1 739 . 19 1 1 A 61 61 TYR N N 61 122.550 121.784 0.766 1
1 740 . 19 1 1 A 62 62 TRP H H 62 7.754 7.538 0.216 1
1 741 . 19 1 1 A 62 62 TRP HA H 62 4.273 3.921 0.352 1
1 750 . 19 1 1 A 62 62 TRP C C 62 176.694 178.894 -2.200 1
1 751 . 19 1 1 A 62 62 TRP CA C 62 58.061 60.405 -2.344 1
1 752 . 19 1 1 A 62 62 TRP CB C 62 30.047 29.117 0.930 1
1 758 . 19 1 1 A 62 62 TRP N N 62 116.320 119.472 -3.152 1
1 760 . 19 1 1 A 63 63 ASN H H 63 7.800 8.320 -0.520 1
1 761 . 19 1 1 A 63 63 ASN HA H 63 4.688 4.334 0.354 1
1 766 . 19 1 1 A 63 63 ASN C C 63 174.055 178.108 -4.053 1
1 767 . 19 1 1 A 63 63 ASN CA C 63 53.484 56.365 -2.881 1
1 768 . 19 1 1 A 63 63 ASN CB C 63 38.645 38.158 0.487 1
1 769 . 19 1 1 A 63 63 ASN N N 63 117.543 117.894 -0.351 1
1 1 . 20 1 1 A 6 6 SER HA H 6 4.447 4.119 0.328 1
1 3 . 20 1 1 A 6 6 SER C C 6 174.919 173.540 1.379 1
1 4 . 20 1 1 A 6 6 SER CA C 6 58.632 59.267 -0.635 1
1 5 . 20 1 1 A 6 6 SER CB C 6 63.826 62.151 1.675 1
1 6 . 20 1 1 A 7 7 GLY H H 7 8.381 8.335 0.046 1
1 7 . 20 1 1 A 7 7 GLY HA2 H 7 3.956 4.001 -0.045 1
1 8 . 20 1 1 A 7 7 GLY HA3 H 7 3.907 4.002 -0.095 1
1 9 . 20 1 1 A 7 7 GLY C C 7 173.610 173.087 0.523 1
1 10 . 20 1 1 A 7 7 GLY CA C 7 45.128 44.730 0.398 1
1 11 . 20 1 1 A 7 7 GLY N N 7 110.672 106.451 4.221 1
1 12 . 20 1 1 A 8 8 LYS H H 8 7.989 8.381 -0.392 1
1 13 . 20 1 1 A 8 8 LYS HA H 8 4.430 4.598 -0.168 1
1 22 . 20 1 1 A 8 8 LYS C C 8 174.322 174.250 0.072 1
1 23 . 20 1 1 A 8 8 LYS CA C 8 53.436 53.283 0.153 1
1 24 . 20 1 1 A 8 8 LYS CB C 8 31.892 32.485 -0.593 1
1 28 . 20 1 1 A 8 8 LYS N N 8 121.270 121.054 0.216 1
1 29 . 20 1 1 A 9 9 PRO HA H 9 4.131 4.499 -0.368 1
1 36 . 20 1 1 A 9 9 PRO C C 9 177.331 177.197 0.134 1
1 37 . 20 1 1 A 9 9 PRO CA C 9 62.970 62.569 0.401 1
1 38 . 20 1 1 A 9 9 PRO CB C 9 31.894 31.249 0.645 1
1 41 . 20 1 1 A 10 10 GLU H H 10 8.649 8.620 0.029 1
1 42 . 20 1 1 A 10 10 GLU HA H 10 3.960 3.944 0.016 1
1 47 . 20 1 1 A 10 10 GLU C C 10 175.849 178.287 -2.438 1
1 48 . 20 1 1 A 10 10 GLU CA C 10 58.051 59.285 -1.234 1
1 49 . 20 1 1 A 10 10 GLU CB C 10 29.627 29.098 0.529 1
1 51 . 20 1 1 A 10 10 GLU N N 10 120.707 123.514 -2.807 1
1 52 . 20 1 1 A 11 11 TRP H H 11 7.131 8.265 -1.134 1
1 53 . 20 1 1 A 11 11 TRP HA H 11 4.548 4.406 0.142 1
1 62 . 20 1 1 A 11 11 TRP C C 11 176.362 177.157 -0.795 1
1 63 . 20 1 1 A 11 11 TRP CA C 11 55.758 60.394 -4.636 1
1 64 . 20 1 1 A 11 11 TRP CB C 11 29.285 28.167 1.118 1
1 70 . 20 1 1 A 11 11 TRP N N 11 115.904 119.114 -3.210 1
1 72 . 20 1 1 A 12 12 MET H H 12 7.289 6.381 0.908 1
1 73 . 20 1 1 A 12 12 MET HA H 12 4.054 3.562 0.492 1
1 81 . 20 1 1 A 12 12 MET C C 12 174.357 175.575 -1.218 1
1 82 . 20 1 1 A 12 12 MET CA C 12 55.900 55.747 0.153 1
1 83 . 20 1 1 A 12 12 MET CB C 12 31.808 32.190 -0.382 1
1 86 . 20 1 1 A 12 12 MET N N 12 122.155 120.591 1.564 1
1 87 . 20 1 1 A 13 13 MET H H 13 8.569 9.012 -0.443 1
1 88 . 20 1 1 A 13 13 MET HA H 13 4.890 5.151 -0.261 1
1 96 . 20 1 1 A 13 13 MET C C 13 175.898 174.772 1.126 1
1 97 . 20 1 1 A 13 13 MET CA C 13 53.784 53.799 -0.015 1
1 98 . 20 1 1 A 13 13 MET CB C 13 35.100 35.102 -0.002 1
1 101 . 20 1 1 A 13 13 MET N N 13 121.084 122.089 -1.005 1
1 102 . 20 1 1 A 14 14 ILE H H 14 9.144 8.848 0.296 1
1 103 . 20 1 1 A 14 14 ILE HA H 14 2.912 4.173 -1.261 1
1 113 . 20 1 1 A 14 14 ILE C C 14 174.810 176.065 -1.255 1
1 114 . 20 1 1 A 14 14 ILE CA C 14 63.803 60.420 3.383 1
1 115 . 20 1 1 A 14 14 ILE CB C 14 38.974 36.953 2.021 1
1 119 . 20 1 1 A 14 14 ILE N N 14 125.919 123.115 2.804 1
1 120 . 20 1 1 A 15 15 HIS H H 15 8.926 8.592 0.334 1
1 121 . 20 1 1 A 15 15 HIS HA H 15 4.690 4.188 0.502 1
1 125 . 20 1 1 A 15 15 HIS C C 15 174.715 174.811 -0.096 1
1 126 . 20 1 1 A 15 15 HIS CA C 15 55.829 60.044 -4.215 1
1 127 . 20 1 1 A 15 15 HIS CB C 15 33.853 30.574 3.279 1
1 129 . 20 1 1 A 15 15 HIS N N 15 125.470 128.415 -2.945 1
1 130 . 20 1 1 A 16 16 ARG H H 16 7.529 7.589 -0.060 1
1 131 . 20 1 1 A 16 16 ARG HA H 16 4.193 4.888 -0.695 1
1 138 . 20 1 1 A 16 16 ARG C C 16 173.315 174.428 -1.113 1
1 139 . 20 1 1 A 16 16 ARG CA C 16 55.329 55.432 -0.103 1
1 140 . 20 1 1 A 16 16 ARG CB C 16 33.252 32.691 0.561 1
1 143 . 20 1 1 A 16 16 ARG N N 16 111.315 113.587 -2.272 1
1 144 . 20 1 1 A 17 17 ILE H H 17 8.396 8.991 -0.595 1
1 145 . 20 1 1 A 17 17 ILE HA H 17 4.052 3.952 0.100 1
1 155 . 20 1 1 A 17 17 ILE C C 17 175.341 175.354 -0.013 1
1 156 . 20 1 1 A 17 17 ILE CA C 17 61.859 61.604 0.255 1
1 157 . 20 1 1 A 17 17 ILE CB C 17 37.952 36.755 1.197 1
1 161 . 20 1 1 A 17 17 ILE N N 17 121.157 123.900 -2.743 1
1 162 . 20 1 1 A 18 18 LEU H H 18 9.102 8.498 0.604 1
1 163 . 20 1 1 A 18 18 LEU HA H 18 4.253 3.929 0.324 1
1 173 . 20 1 1 A 18 18 LEU C C 18 176.622 176.371 0.251 1
1 174 . 20 1 1 A 18 18 LEU CA C 18 55.422 57.119 -1.697 1
1 175 . 20 1 1 A 18 18 LEU CB C 18 43.410 42.053 1.357 1
1 179 . 20 1 1 A 18 18 LEU N N 18 124.326 129.940 -5.614 1
1 180 . 20 1 1 A 19 19 ASN H H 19 7.343 7.380 -0.037 1
1 181 . 20 1 1 A 19 19 ASN HA H 19 5.227 4.875 0.352 1
1 186 . 20 1 1 A 19 19 ASN C C 19 172.527 173.285 -0.758 1
1 187 . 20 1 1 A 19 19 ASN CA C 19 51.140 52.244 -1.104 1
1 188 . 20 1 1 A 19 19 ASN CB C 19 40.795 41.606 -0.811 1
1 189 . 20 1 1 A 19 19 ASN N N 19 113.895 111.955 1.940 1
1 191 . 20 1 1 A 20 20 HIS H H 20 8.816 8.856 -0.040 1
1 192 . 20 1 1 A 20 20 HIS HA H 20 5.875 6.253 -0.378 1
1 197 . 20 1 1 A 20 20 HIS C C 20 173.013 172.597 0.416 1
1 198 . 20 1 1 A 20 20 HIS CA C 20 55.932 54.154 1.778 1
1 199 . 20 1 1 A 20 20 HIS CB C 20 35.190 33.805 1.385 1
1 202 . 20 1 1 A 20 20 HIS N N 20 118.537 116.712 1.825 1
1 203 . 20 1 1 A 21 21 SER H H 21 9.203 9.093 0.110 1
1 204 . 20 1 1 A 21 21 SER HA H 21 4.399 4.777 -0.378 1
1 207 . 20 1 1 A 21 21 SER C C 21 172.382 171.959 0.423 1
1 208 . 20 1 1 A 21 21 SER CA C 21 57.063 56.697 0.366 1
1 209 . 20 1 1 A 21 21 SER CB C 21 65.417 65.806 -0.389 1
1 210 . 20 1 1 A 21 21 SER N N 21 115.006 114.672 0.334 1
1 211 . 20 1 1 A 22 22 VAL H H 22 8.493 8.865 -0.372 1
1 212 . 20 1 1 A 22 22 VAL HA H 22 4.961 4.527 0.434 1
1 220 . 20 1 1 A 22 22 VAL C C 22 176.199 175.298 0.901 1
1 221 . 20 1 1 A 22 22 VAL CA C 22 61.066 60.318 0.748 1
1 222 . 20 1 1 A 22 22 VAL CB C 22 33.732 33.563 0.169 1
1 225 . 20 1 1 A 22 22 VAL N N 22 124.080 128.030 -3.950 1
1 226 . 20 1 1 A 23 23 ASP H H 23 8.667 7.933 0.734 1
1 227 . 20 1 1 A 23 23 ASP HA H 23 4.688 4.477 0.211 1
1 230 . 20 1 1 A 23 23 ASP C C 23 178.629 177.495 1.134 1
1 231 . 20 1 1 A 23 23 ASP CA C 23 52.814 54.164 -1.350 1
1 232 . 20 1 1 A 23 23 ASP CB C 23 41.525 41.434 0.091 1
1 233 . 20 1 1 A 23 23 ASP N N 23 127.673 128.455 -0.782 1
1 234 . 20 1 1 A 24 24 LYS H H 24 8.242 9.024 -0.782 1
1 235 . 20 1 1 A 24 24 LYS HA H 24 4.077 3.849 0.228 1
1 244 . 20 1 1 A 24 24 LYS C C 24 177.637 178.241 -0.604 1
1 245 . 20 1 1 A 24 24 LYS CA C 24 58.419 59.560 -1.141 1
1 246 . 20 1 1 A 24 24 LYS CB C 24 32.057 32.202 -0.145 1
1 250 . 20 1 1 A 24 24 LYS N N 24 116.378 123.944 -7.566 1
1 251 . 20 1 1 A 25 25 LYS H H 25 8.128 7.615 0.513 1
1 252 . 20 1 1 A 25 25 LYS HA H 25 4.379 4.045 0.334 1
1 261 . 20 1 1 A 25 25 LYS C C 25 176.600 176.343 0.257 1
1 262 . 20 1 1 A 25 25 LYS CA C 25 55.411 57.770 -2.359 1
1 263 . 20 1 1 A 25 25 LYS CB C 25 32.516 32.835 -0.319 1
1 267 . 20 1 1 A 25 25 LYS N N 25 118.184 116.786 1.398 1
1 268 . 20 1 1 A 26 26 GLY H H 26 8.040 8.160 -0.120 1
1 269 . 20 1 1 A 26 26 GLY HA2 H 26 4.125 4.050 0.075 1
1 270 . 20 1 1 A 26 26 GLY HA3 H 26 3.428 4.092 -0.664 1
1 271 . 20 1 1 A 26 26 GLY C C 26 174.048 174.840 -0.792 1
1 272 . 20 1 1 A 26 26 GLY CA C 26 45.235 45.363 -0.128 1
1 273 . 20 1 1 A 26 26 GLY N N 26 108.208 105.975 2.233 1
1 274 . 20 1 1 A 27 27 HIS H H 27 8.599 7.985 0.614 1
1 275 . 20 1 1 A 27 27 HIS HA H 27 4.491 4.500 -0.009 1
1 279 . 20 1 1 A 27 27 HIS C C 27 174.516 174.346 0.170 1
1 280 . 20 1 1 A 27 27 HIS CA C 27 55.935 57.180 -1.245 1
1 281 . 20 1 1 A 27 27 HIS CB C 27 29.257 29.332 -0.075 1
1 283 . 20 1 1 A 27 27 HIS N N 27 123.031 119.024 4.007 1
1 284 . 20 1 1 A 28 28 VAL H H 28 8.330 8.191 0.139 1
1 285 . 20 1 1 A 28 28 VAL HA H 28 4.776 4.010 0.766 1
1 293 . 20 1 1 A 28 28 VAL C C 28 174.798 175.581 -0.783 1
1 294 . 20 1 1 A 28 28 VAL CA C 28 62.070 63.339 -1.269 1
1 295 . 20 1 1 A 28 28 VAL CB C 28 32.965 32.231 0.734 1
1 298 . 20 1 1 A 28 28 VAL N N 28 127.641 124.966 2.675 1
1 299 . 20 1 1 A 29 29 HIS H H 29 8.887 9.053 -0.166 1
1 300 . 20 1 1 A 29 29 HIS HA H 29 5.071 5.474 -0.403 1
1 305 . 20 1 1 A 29 29 HIS C C 29 173.998 174.144 -0.146 1
1 306 . 20 1 1 A 29 29 HIS CA C 29 54.841 53.782 1.059 1
1 307 . 20 1 1 A 29 29 HIS CB C 29 33.921 32.898 1.023 1
1 310 . 20 1 1 A 29 29 HIS N N 29 124.946 126.504 -1.558 1
1 311 . 20 1 1 A 30 30 TYR H H 30 9.630 9.633 -0.003 1
1 312 . 20 1 1 A 30 30 TYR HA H 30 5.092 5.215 -0.123 1
1 319 . 20 1 1 A 30 30 TYR C C 30 173.451 174.731 -1.280 1
1 320 . 20 1 1 A 30 30 TYR CA C 30 57.627 56.710 0.917 1
1 321 . 20 1 1 A 30 30 TYR CB C 30 41.124 40.562 0.562 1
1 326 . 20 1 1 A 30 30 TYR N N 30 119.246 121.201 -1.955 1
1 327 . 20 1 1 A 31 31 LEU H H 31 7.804 8.821 -1.017 1
1 328 . 20 1 1 A 31 31 LEU HA H 31 3.561 3.476 0.085 1
1 338 . 20 1 1 A 31 31 LEU C C 31 173.742 174.489 -0.747 1
1 339 . 20 1 1 A 31 31 LEU CA C 31 53.120 54.216 -1.096 1
1 340 . 20 1 1 A 31 31 LEU CB C 31 39.479 40.892 -1.413 1
1 344 . 20 1 1 A 31 31 LEU N N 31 125.982 126.397 -0.415 1
1 345 . 20 1 1 A 32 32 ILE H H 32 8.861 8.035 0.826 1
1 346 . 20 1 1 A 32 32 ILE HA H 32 3.402 3.926 -0.524 1
1 356 . 20 1 1 A 32 32 ILE C C 32 173.769 174.387 -0.618 1
1 357 . 20 1 1 A 32 32 ILE CA C 32 61.356 61.088 0.268 1
1 358 . 20 1 1 A 32 32 ILE CB C 32 39.405 37.168 2.237 1
1 362 . 20 1 1 A 32 32 ILE N N 32 129.827 127.449 2.378 1
1 363 . 20 1 1 A 33 33 LYS H H 33 7.951 8.521 -0.570 1
1 364 . 20 1 1 A 33 33 LYS HA H 33 4.111 4.468 -0.357 1
1 373 . 20 1 1 A 33 33 LYS C C 33 174.920 175.052 -0.132 1
1 374 . 20 1 1 A 33 33 LYS CA C 33 54.849 54.536 0.313 1
1 375 . 20 1 1 A 33 33 LYS CB C 33 33.162 33.550 -0.388 1
1 379 . 20 1 1 A 33 33 LYS N N 33 124.612 127.397 -2.785 1
1 380 . 20 1 1 A 34 34 TRP H H 34 8.145 8.299 -0.154 1
1 381 . 20 1 1 A 34 34 TRP HA H 34 4.690 4.654 0.036 1
1 390 . 20 1 1 A 34 34 TRP C C 34 177.144 177.110 0.034 1
1 391 . 20 1 1 A 34 34 TRP CA C 34 55.582 58.502 -2.920 1
1 392 . 20 1 1 A 34 34 TRP CB C 34 30.832 29.349 1.483 1
1 398 . 20 1 1 A 34 34 TRP N N 34 132.766 127.636 5.130 1
1 400 . 20 1 1 A 35 35 ARG H H 35 9.199 8.716 0.483 1
1 401 . 20 1 1 A 35 35 ARG HA H 35 3.742 4.318 -0.576 1
1 408 . 20 1 1 A 35 35 ARG C C 35 176.307 178.115 -1.808 1
1 409 . 20 1 1 A 35 35 ARG CA C 35 58.738 60.408 -1.670 1
1 410 . 20 1 1 A 35 35 ARG CB C 35 30.254 30.261 -0.007 1
1 413 . 20 1 1 A 35 35 ARG N N 35 124.433 126.415 -1.982 1
1 414 . 20 1 1 A 36 36 ASP H H 36 8.812 8.421 0.391 1
1 415 . 20 1 1 A 36 36 ASP HA H 36 4.294 4.496 -0.202 1
1 418 . 20 1 1 A 36 36 ASP C C 36 174.269 176.743 -2.474 1
1 419 . 20 1 1 A 36 36 ASP CA C 36 55.948 57.693 -1.745 1
1 420 . 20 1 1 A 36 36 ASP CB C 36 39.960 41.410 -1.450 1
1 421 . 20 1 1 A 36 36 ASP N N 36 115.622 119.520 -3.898 1
1 422 . 20 1 1 A 37 37 LEU H H 37 7.372 7.755 -0.383 1
1 423 . 20 1 1 A 37 37 LEU HA H 37 4.966 4.521 0.445 1
1 433 . 20 1 1 A 37 37 LEU C C 37 174.638 174.876 -0.238 1
1 434 . 20 1 1 A 37 37 LEU CA C 37 51.968 53.534 -1.566 1
1 435 . 20 1 1 A 37 37 LEU CB C 37 44.421 41.367 3.054 1
1 439 . 20 1 1 A 37 37 LEU N N 37 119.137 120.389 -1.252 1
1 440 . 20 1 1 A 38 38 PRO HA H 38 4.559 4.598 -0.039 1
1 447 . 20 1 1 A 38 38 PRO C C 38 178.256 176.450 1.806 1
1 448 . 20 1 1 A 38 38 PRO CA C 38 62.332 62.382 -0.050 1
1 449 . 20 1 1 A 38 38 PRO CB C 38 33.232 33.348 -0.116 1
1 452 . 20 1 1 A 39 39 TYR H H 39 8.933 8.886 0.047 1
1 453 . 20 1 1 A 39 39 TYR HA H 39 3.758 4.054 -0.296 1
1 460 . 20 1 1 A 39 39 TYR C C 39 177.241 177.394 -0.153 1
1 461 . 20 1 1 A 39 39 TYR CA C 39 62.934 61.335 1.599 1
1 462 . 20 1 1 A 39 39 TYR CB C 39 38.451 38.499 -0.048 1
1 467 . 20 1 1 A 39 39 TYR N N 39 122.113 120.985 1.128 1
1 468 . 20 1 1 A 40 40 ASP H H 40 8.439 8.656 -0.217 1
1 469 . 20 1 1 A 40 40 ASP HA H 40 4.407 4.349 0.058 1
1 472 . 20 1 1 A 40 40 ASP C C 40 176.645 177.298 -0.653 1
1 473 . 20 1 1 A 40 40 ASP CA C 40 55.335 56.578 -1.243 1
1 474 . 20 1 1 A 40 40 ASP CB C 40 39.476 40.213 -0.737 1
1 475 . 20 1 1 A 40 40 ASP N N 40 115.019 119.713 -4.694 1
1 476 . 20 1 1 A 41 41 GLN H H 41 7.761 7.608 0.153 1
1 477 . 20 1 1 A 41 41 GLN HA H 41 4.457 4.416 0.041 1
1 484 . 20 1 1 A 41 41 GLN C C 41 175.665 175.996 -0.331 1
1 485 . 20 1 1 A 41 41 GLN CA C 41 55.031 55.654 -0.623 1
1 486 . 20 1 1 A 41 41 GLN CB C 41 29.606 29.900 -0.294 1
1 488 . 20 1 1 A 41 41 GLN N N 41 117.630 116.572 1.058 1
1 490 . 20 1 1 A 42 42 ALA H H 42 7.379 7.035 0.344 1
1 491 . 20 1 1 A 42 42 ALA HA H 42 4.776 4.132 0.644 1
1 495 . 20 1 1 A 42 42 ALA C C 42 177.103 177.308 -0.205 1
1 496 . 20 1 1 A 42 42 ALA CA C 42 53.572 52.918 0.654 1
1 497 . 20 1 1 A 42 42 ALA CB C 42 18.951 18.821 0.130 1
1 498 . 20 1 1 A 42 42 ALA N N 42 123.425 123.774 -0.349 1
1 499 . 20 1 1 A 43 43 SER H H 43 8.521 8.039 0.482 1
1 500 . 20 1 1 A 43 43 SER HA H 43 4.861 5.156 -0.295 1
1 503 . 20 1 1 A 43 43 SER C C 43 172.947 172.896 0.051 1
1 504 . 20 1 1 A 43 43 SER CA C 43 56.852 57.005 -0.153 1
1 505 . 20 1 1 A 43 43 SER CB C 43 66.734 66.877 -0.143 1
1 506 . 20 1 1 A 43 43 SER N N 43 115.967 115.621 0.346 1
1 507 . 20 1 1 A 44 44 TRP H H 44 8.699 8.913 -0.214 1
1 508 . 20 1 1 A 44 44 TRP HA H 44 5.081 5.031 0.050 1
1 517 . 20 1 1 A 44 44 TRP C C 44 177.207 176.160 1.047 1
1 518 . 20 1 1 A 44 44 TRP CA C 44 56.648 56.699 -0.051 1
1 519 . 20 1 1 A 44 44 TRP CB C 44 29.592 31.103 -1.511 1
1 525 . 20 1 1 A 44 44 TRP N N 44 123.015 123.141 -0.126 1
1 527 . 20 1 1 A 45 45 GLU H H 45 9.773 8.842 0.931 1
1 528 . 20 1 1 A 45 45 GLU HA H 45 5.156 4.921 0.235 1
1 533 . 20 1 1 A 45 45 GLU C C 45 176.249 175.380 0.869 1
1 534 . 20 1 1 A 45 45 GLU CA C 45 53.378 54.766 -1.388 1
1 535 . 20 1 1 A 45 45 GLU CB C 45 31.950 32.917 -0.967 1
1 537 . 20 1 1 A 45 45 GLU N N 45 122.799 121.988 0.811 1
1 538 . 20 1 1 A 46 46 SER H H 46 9.121 8.614 0.507 1
1 539 . 20 1 1 A 46 46 SER HA H 46 4.106 4.584 -0.478 1
1 542 . 20 1 1 A 46 46 SER C C 46 178.218 175.989 2.229 1
1 543 . 20 1 1 A 46 46 SER CA C 46 58.791 58.381 0.410 1
1 544 . 20 1 1 A 46 46 SER CB C 46 63.100 64.201 -1.101 1
1 545 . 20 1 1 A 46 46 SER N N 46 116.892 120.955 -4.063 1
1 546 . 20 1 1 A 47 47 GLU H H 47 8.588 9.048 -0.460 1
1 547 . 20 1 1 A 47 47 GLU HA H 47 4.327 4.734 -0.407 1
1 552 . 20 1 1 A 47 47 GLU C C 47 174.707 177.437 -2.730 1
1 553 . 20 1 1 A 47 47 GLU CA C 47 58.693 57.726 0.967 1
1 554 . 20 1 1 A 47 47 GLU CB C 47 29.990 29.588 0.402 1
1 556 . 20 1 1 A 47 47 GLU N N 47 125.534 123.339 2.195 1
1 557 . 20 1 1 A 48 48 ASP H H 48 8.415 7.717 0.698 1
1 558 . 20 1 1 A 48 48 ASP HA H 48 4.847 4.845 0.002 1
1 561 . 20 1 1 A 48 48 ASP C C 48 176.853 176.053 0.800 1
1 562 . 20 1 1 A 48 48 ASP CA C 48 54.472 55.858 -1.386 1
1 563 . 20 1 1 A 48 48 ASP CB C 48 41.795 41.929 -0.134 1
1 564 . 20 1 1 A 48 48 ASP N N 48 117.812 120.130 -2.318 1
1 565 . 20 1 1 A 49 49 VAL H H 49 7.192 7.581 -0.389 1
1 566 . 20 1 1 A 49 49 VAL HA H 49 4.137 4.039 0.098 1
1 574 . 20 1 1 A 49 49 VAL C C 49 175.326 175.465 -0.139 1
1 575 . 20 1 1 A 49 49 VAL CA C 49 62.987 62.280 0.707 1
1 576 . 20 1 1 A 49 49 VAL CB C 49 32.759 32.261 0.498 1
1 579 . 20 1 1 A 49 49 VAL N N 49 118.329 116.943 1.386 1
1 580 . 20 1 1 A 50 50 GLU H H 50 8.417 8.676 -0.259 1
1 581 . 20 1 1 A 50 50 GLU HA H 50 4.526 4.864 -0.338 1
1 586 . 20 1 1 A 50 50 GLU C C 50 175.395 175.629 -0.234 1
1 587 . 20 1 1 A 50 50 GLU CA C 50 56.376 55.460 0.916 1
1 588 . 20 1 1 A 50 50 GLU CB C 50 29.216 30.690 -1.474 1
1 590 . 20 1 1 A 50 50 GLU N N 50 124.475 123.835 0.640 1
1 591 . 20 1 1 A 51 51 ILE H H 51 7.483 8.560 -1.077 1
1 592 . 20 1 1 A 51 51 ILE HA H 51 4.068 4.666 -0.598 1
1 602 . 20 1 1 A 51 51 ILE C C 51 175.838 175.218 0.620 1
1 603 . 20 1 1 A 51 51 ILE CA C 51 60.572 59.402 1.170 1
1 604 . 20 1 1 A 51 51 ILE CB C 51 41.701 41.284 0.417 1
1 608 . 20 1 1 A 51 51 ILE N N 51 125.565 126.667 -1.102 1
1 609 . 20 1 1 A 52 52 GLN H H 52 9.055 8.519 0.536 1
1 610 . 20 1 1 A 52 52 GLN HA H 52 4.042 3.930 0.112 1
1 617 . 20 1 1 A 52 52 GLN C C 52 176.011 176.278 -0.267 1
1 618 . 20 1 1 A 52 52 GLN CA C 52 58.264 57.601 0.663 1
1 619 . 20 1 1 A 52 52 GLN CB C 52 28.458 28.425 0.033 1
1 621 . 20 1 1 A 52 52 GLN N N 52 130.354 125.243 5.111 1
1 623 . 20 1 1 A 53 53 ASP H H 53 9.244 9.551 -0.307 1
1 624 . 20 1 1 A 53 53 ASP HA H 53 4.529 4.377 0.152 1
1 627 . 20 1 1 A 53 53 ASP C C 53 176.419 175.772 0.647 1
1 628 . 20 1 1 A 53 53 ASP CA C 53 56.605 55.455 1.150 1
1 629 . 20 1 1 A 53 53 ASP CB C 53 39.788 39.148 0.640 1
1 630 . 20 1 1 A 53 53 ASP N N 53 119.289 122.277 -2.988 1
1 631 . 20 1 1 A 54 54 TYR H H 54 7.920 8.407 -0.487 1
1 632 . 20 1 1 A 54 54 TYR HA H 54 4.388 4.334 0.054 1
1 639 . 20 1 1 A 54 54 TYR C C 54 178.807 177.295 1.512 1
1 640 . 20 1 1 A 54 54 TYR CA C 54 57.557 61.383 -3.826 1
1 641 . 20 1 1 A 54 54 TYR CB C 54 37.745 39.051 -1.306 1
1 646 . 20 1 1 A 54 54 TYR N N 54 120.852 119.370 1.482 1
1 647 . 20 1 1 A 55 55 ASP H H 55 8.942 8.327 0.615 1
1 648 . 20 1 1 A 55 55 ASP HA H 55 4.155 4.113 0.042 1
1 651 . 20 1 1 A 55 55 ASP C C 55 178.492 178.686 -0.194 1
1 652 . 20 1 1 A 55 55 ASP CA C 55 57.839 57.509 0.330 1
1 653 . 20 1 1 A 55 55 ASP CB C 55 39.955 42.143 -2.188 1
1 654 . 20 1 1 A 55 55 ASP N N 55 114.884 119.827 -4.943 1
1 655 . 20 1 1 A 56 56 LEU H H 56 7.585 8.200 -0.615 1
1 656 . 20 1 1 A 56 56 LEU HA H 56 3.968 3.943 0.025 1
1 666 . 20 1 1 A 56 56 LEU C C 56 180.237 179.214 1.023 1
1 667 . 20 1 1 A 56 56 LEU CA C 56 57.892 58.292 -0.400 1
1 668 . 20 1 1 A 56 56 LEU CB C 56 41.204 41.993 -0.789 1
1 672 . 20 1 1 A 56 56 LEU N N 56 121.328 120.346 0.982 1
1 673 . 20 1 1 A 57 57 PHE H H 57 7.735 8.104 -0.369 1
1 674 . 20 1 1 A 57 57 PHE HA H 57 4.182 4.206 -0.024 1
1 682 . 20 1 1 A 57 57 PHE C C 57 179.437 178.213 1.224 1
1 683 . 20 1 1 A 57 57 PHE CA C 57 62.756 61.093 1.663 1
1 684 . 20 1 1 A 57 57 PHE CB C 57 38.803 38.907 -0.104 1
1 690 . 20 1 1 A 57 57 PHE N N 57 118.200 117.207 0.993 1
1 691 . 20 1 1 A 58 58 LYS H H 58 8.834 7.912 0.922 1
1 692 . 20 1 1 A 58 58 LYS HA H 58 3.515 3.587 -0.072 1
1 701 . 20 1 1 A 58 58 LYS C C 58 177.565 179.041 -1.476 1
1 702 . 20 1 1 A 58 58 LYS CA C 58 60.851 59.475 1.376 1
1 703 . 20 1 1 A 58 58 LYS CB C 58 33.102 31.841 1.261 1
1 707 . 20 1 1 A 58 58 LYS N N 58 123.283 117.828 5.455 1
1 708 . 20 1 1 A 59 59 GLN H H 59 7.955 8.473 -0.518 1
1 709 . 20 1 1 A 59 59 GLN HA H 59 4.104 4.194 -0.090 1
1 716 . 20 1 1 A 59 59 GLN C C 59 178.948 178.300 0.648 1
1 717 . 20 1 1 A 59 59 GLN CA C 59 59.249 58.531 0.718 1
1 718 . 20 1 1 A 59 59 GLN CB C 59 28.185 28.674 -0.489 1
1 720 . 20 1 1 A 59 59 GLN N N 59 117.353 119.991 -2.638 1
1 722 . 20 1 1 A 60 60 SER H H 60 7.821 7.790 0.031 1
1 723 . 20 1 1 A 60 60 SER HA H 60 4.233 4.207 0.026 1
1 726 . 20 1 1 A 60 60 SER C C 60 176.403 176.096 0.307 1
1 727 . 20 1 1 A 60 60 SER CA C 60 60.954 61.610 -0.656 1
1 728 . 20 1 1 A 60 60 SER CB C 60 63.007 63.358 -0.351 1
1 729 . 20 1 1 A 60 60 SER N N 60 112.660 114.649 -1.989 1
1 730 . 20 1 1 A 61 61 TYR H H 61 7.858 8.245 -0.387 1
1 731 . 20 1 1 A 61 61 TYR HA H 61 4.084 4.053 0.031 1
1 734 . 20 1 1 A 61 61 TYR C C 61 177.358 177.377 -0.019 1
1 735 . 20 1 1 A 61 61 TYR CA C 61 61.217 62.056 -0.839 1
1 736 . 20 1 1 A 61 61 TYR CB C 61 38.470 38.404 0.066 1
1 739 . 20 1 1 A 61 61 TYR N N 61 122.550 121.701 0.849 1
1 740 . 20 1 1 A 62 62 TRP H H 62 7.754 7.483 0.271 1
1 741 . 20 1 1 A 62 62 TRP HA H 62 4.273 4.026 0.247 1
1 750 . 20 1 1 A 62 62 TRP C C 62 176.694 178.730 -2.036 1
1 751 . 20 1 1 A 62 62 TRP CA C 62 58.061 60.461 -2.400 1
1 752 . 20 1 1 A 62 62 TRP CB C 62 30.047 29.355 0.692 1
1 758 . 20 1 1 A 62 62 TRP N N 62 116.320 119.541 -3.221 1
1 760 . 20 1 1 A 63 63 ASN H H 63 7.800 8.019 -0.219 1
1 761 . 20 1 1 A 63 63 ASN HA H 63 4.688 4.451 0.237 1
1 766 . 20 1 1 A 63 63 ASN C C 63 174.055 175.962 -1.907 1
1 767 . 20 1 1 A 63 63 ASN CA C 63 53.484 56.106 -2.622 1
1 768 . 20 1 1 A 63 63 ASN CB C 63 38.645 38.219 0.426 1
1 769 . 20 1 1 A 63 63 ASN N N 63 117.543 117.180 0.363 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 58 1.200 1
2 1 1 1 "RMS(OBS, PRED)" CA 58 1.497 1
3 1 1 1 "RMS(OBS, PRED)" CB 56 1.180 1
4 1 1 1 "RMS(OBS, PRED)" H 55 0.523 1
5 1 1 1 "RMS(OBS, PRED)" HA 60 0.365 1
6 1 1 1 "RMS(OBS, PRED)" N 55 2.672 1
7 1 2 1 "RMS(OBS, PRED)" C 58 1.268 1
8 1 2 1 "RMS(OBS, PRED)" CA 58 1.560 1
9 1 2 1 "RMS(OBS, PRED)" CB 56 1.101 1
10 1 2 1 "RMS(OBS, PRED)" H 55 0.493 1
11 1 2 1 "RMS(OBS, PRED)" HA 60 0.354 1
12 1 2 1 "RMS(OBS, PRED)" N 55 3.069 1
13 1 3 1 "RMS(OBS, PRED)" C 58 1.191 1
14 1 3 1 "RMS(OBS, PRED)" CA 58 1.591 1
15 1 3 1 "RMS(OBS, PRED)" CB 56 1.200 1
16 1 3 1 "RMS(OBS, PRED)" H 55 0.512 1
17 1 3 1 "RMS(OBS, PRED)" HA 60 0.365 1
18 1 3 1 "RMS(OBS, PRED)" N 55 3.043 1
19 1 4 1 "RMS(OBS, PRED)" C 58 1.196 1
20 1 4 1 "RMS(OBS, PRED)" CA 58 1.580 1
21 1 4 1 "RMS(OBS, PRED)" CB 56 1.182 1
22 1 4 1 "RMS(OBS, PRED)" H 55 0.504 1
23 1 4 1 "RMS(OBS, PRED)" HA 60 0.367 1
24 1 4 1 "RMS(OBS, PRED)" N 55 2.862 1
25 1 5 1 "RMS(OBS, PRED)" C 58 1.226 1
26 1 5 1 "RMS(OBS, PRED)" CA 58 1.527 1
27 1 5 1 "RMS(OBS, PRED)" CB 56 1.215 1
28 1 5 1 "RMS(OBS, PRED)" H 55 0.538 1
29 1 5 1 "RMS(OBS, PRED)" HA 60 0.373 1
30 1 5 1 "RMS(OBS, PRED)" N 55 2.765 1
31 1 6 1 "RMS(OBS, PRED)" C 58 1.130 1
32 1 6 1 "RMS(OBS, PRED)" CA 58 1.516 1
33 1 6 1 "RMS(OBS, PRED)" CB 56 1.081 1
34 1 6 1 "RMS(OBS, PRED)" H 55 0.508 1
35 1 6 1 "RMS(OBS, PRED)" HA 60 0.357 1
36 1 6 1 "RMS(OBS, PRED)" N 55 2.996 1
37 1 7 1 "RMS(OBS, PRED)" C 58 1.111 1
38 1 7 1 "RMS(OBS, PRED)" CA 58 1.553 1
39 1 7 1 "RMS(OBS, PRED)" CB 56 1.170 1
40 1 7 1 "RMS(OBS, PRED)" H 55 0.531 1
41 1 7 1 "RMS(OBS, PRED)" HA 60 0.399 1
42 1 7 1 "RMS(OBS, PRED)" N 55 2.970 1
43 1 8 1 "RMS(OBS, PRED)" C 58 1.205 1
44 1 8 1 "RMS(OBS, PRED)" CA 58 1.591 1
45 1 8 1 "RMS(OBS, PRED)" CB 56 1.089 1
46 1 8 1 "RMS(OBS, PRED)" H 55 0.518 1
47 1 8 1 "RMS(OBS, PRED)" HA 60 0.373 1
48 1 8 1 "RMS(OBS, PRED)" N 55 2.888 1
49 1 9 1 "RMS(OBS, PRED)" C 58 1.173 1
50 1 9 1 "RMS(OBS, PRED)" CA 58 1.549 1
51 1 9 1 "RMS(OBS, PRED)" CB 56 1.123 1
52 1 9 1 "RMS(OBS, PRED)" H 55 0.520 1
53 1 9 1 "RMS(OBS, PRED)" HA 60 0.364 1
54 1 9 1 "RMS(OBS, PRED)" N 55 3.085 1
55 1 10 1 "RMS(OBS, PRED)" C 58 1.178 1
56 1 10 1 "RMS(OBS, PRED)" CA 58 1.574 1
57 1 10 1 "RMS(OBS, PRED)" CB 56 1.162 1
58 1 10 1 "RMS(OBS, PRED)" H 55 0.520 1
59 1 10 1 "RMS(OBS, PRED)" HA 60 0.356 1
60 1 10 1 "RMS(OBS, PRED)" N 55 2.944 1
61 1 11 1 "RMS(OBS, PRED)" C 58 1.097 1
62 1 11 1 "RMS(OBS, PRED)" CA 58 1.623 1
63 1 11 1 "RMS(OBS, PRED)" CB 56 1.171 1
64 1 11 1 "RMS(OBS, PRED)" H 55 0.535 1
65 1 11 1 "RMS(OBS, PRED)" HA 60 0.377 1
66 1 11 1 "RMS(OBS, PRED)" N 55 2.918 1
67 1 12 1 "RMS(OBS, PRED)" C 58 1.212 1
68 1 12 1 "RMS(OBS, PRED)" CA 58 1.523 1
69 1 12 1 "RMS(OBS, PRED)" CB 56 1.139 1
70 1 12 1 "RMS(OBS, PRED)" H 55 0.505 1
71 1 12 1 "RMS(OBS, PRED)" HA 60 0.372 1
72 1 12 1 "RMS(OBS, PRED)" N 55 2.644 1
73 1 13 1 "RMS(OBS, PRED)" C 58 1.196 1
74 1 13 1 "RMS(OBS, PRED)" CA 58 1.565 1
75 1 13 1 "RMS(OBS, PRED)" CB 56 1.075 1
76 1 13 1 "RMS(OBS, PRED)" H 55 0.552 1
77 1 13 1 "RMS(OBS, PRED)" HA 60 0.360 1
78 1 13 1 "RMS(OBS, PRED)" N 55 2.741 1
79 1 14 1 "RMS(OBS, PRED)" C 58 1.178 1
80 1 14 1 "RMS(OBS, PRED)" CA 58 1.563 1
81 1 14 1 "RMS(OBS, PRED)" CB 56 1.119 1
82 1 14 1 "RMS(OBS, PRED)" H 55 0.513 1
83 1 14 1 "RMS(OBS, PRED)" HA 60 0.366 1
84 1 14 1 "RMS(OBS, PRED)" N 55 3.029 1
85 1 15 1 "RMS(OBS, PRED)" C 58 1.203 1
86 1 15 1 "RMS(OBS, PRED)" CA 58 1.588 1
87 1 15 1 "RMS(OBS, PRED)" CB 56 1.128 1
88 1 15 1 "RMS(OBS, PRED)" H 55 0.530 1
89 1 15 1 "RMS(OBS, PRED)" HA 60 0.358 1
90 1 15 1 "RMS(OBS, PRED)" N 55 2.962 1
91 1 16 1 "RMS(OBS, PRED)" C 58 1.175 1
92 1 16 1 "RMS(OBS, PRED)" CA 58 1.526 1
93 1 16 1 "RMS(OBS, PRED)" CB 56 1.086 1
94 1 16 1 "RMS(OBS, PRED)" H 55 0.520 1
95 1 16 1 "RMS(OBS, PRED)" HA 60 0.354 1
96 1 16 1 "RMS(OBS, PRED)" N 55 2.842 1
97 1 17 1 "RMS(OBS, PRED)" C 58 1.090 1
98 1 17 1 "RMS(OBS, PRED)" CA 58 1.596 1
99 1 17 1 "RMS(OBS, PRED)" CB 56 1.034 1
100 1 17 1 "RMS(OBS, PRED)" H 55 0.508 1
101 1 17 1 "RMS(OBS, PRED)" HA 60 0.364 1
102 1 17 1 "RMS(OBS, PRED)" N 55 2.907 1
103 1 18 1 "RMS(OBS, PRED)" C 58 1.133 1
104 1 18 1 "RMS(OBS, PRED)" CA 58 1.586 1
105 1 18 1 "RMS(OBS, PRED)" CB 56 1.069 1
106 1 18 1 "RMS(OBS, PRED)" H 55 0.557 1
107 1 18 1 "RMS(OBS, PRED)" HA 60 0.354 1
108 1 18 1 "RMS(OBS, PRED)" N 55 3.017 1
109 1 19 1 "RMS(OBS, PRED)" C 58 1.188 1
110 1 19 1 "RMS(OBS, PRED)" CA 58 1.594 1
111 1 19 1 "RMS(OBS, PRED)" CB 56 1.093 1
112 1 19 1 "RMS(OBS, PRED)" H 55 0.534 1
113 1 19 1 "RMS(OBS, PRED)" HA 60 0.358 1
114 1 19 1 "RMS(OBS, PRED)" N 55 3.092 1
115 1 20 1 "RMS(OBS, PRED)" C 58 1.078 1
116 1 20 1 "RMS(OBS, PRED)" CA 58 1.574 1
117 1 20 1 "RMS(OBS, PRED)" CB 56 1.106 1
118 1 20 1 "RMS(OBS, PRED)" H 55 0.519 1
119 1 20 1 "RMS(OBS, PRED)" HA 60 0.361 1
120 1 20 1 "RMS(OBS, PRED)" N 55 2.884 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 4.447 4.719 -0.272 2
1 3 . 1 1 A 6 6 SER C C 6 174.919 174.084 0.835 2
1 4 . 1 1 A 6 6 SER CA C 6 58.632 57.857 0.775 2
1 5 . 1 1 A 6 6 SER CB C 6 63.826 63.914 -0.088 2
1 6 . 1 1 A 7 7 GLY H H 7 8.381 8.269 0.112 2
1 7 . 1 1 A 7 7 GLY HA2 H 7 3.956 4.091 -0.135 2
1 8 . 1 1 A 7 7 GLY HA3 H 7 3.907 4.092 -0.185 2
1 9 . 1 1 A 7 7 GLY C C 7 173.610 172.664 0.946 2
1 10 . 1 1 A 7 7 GLY CA C 7 45.128 45.324 -0.196 2
1 11 . 1 1 A 7 7 GLY N N 7 110.672 110.306 0.366 2
1 12 . 1 1 A 8 8 LYS H H 8 7.989 8.273 -0.284 2
1 13 . 1 1 A 8 8 LYS HA H 8 4.430 4.627 -0.197 2
1 22 . 1 1 A 8 8 LYS C C 8 174.322 174.128 0.194 2
1 23 . 1 1 A 8 8 LYS CA C 8 53.436 53.553 -0.117 2
1 24 . 1 1 A 8 8 LYS CB C 8 31.892 33.002 -1.110 2
1 28 . 1 1 A 8 8 LYS N N 8 121.270 120.860 0.410 2
1 29 . 1 1 A 9 9 PRO HA H 9 4.131 4.591 -0.460 2
1 36 . 1 1 A 9 9 PRO C C 9 177.331 176.508 0.823 2
1 37 . 1 1 A 9 9 PRO CA C 9 62.970 62.556 0.414 2
1 38 . 1 1 A 9 9 PRO CB C 9 31.894 32.660 -0.766 2
1 41 . 1 1 A 10 10 GLU H H 10 8.649 8.499 0.150 2
1 42 . 1 1 A 10 10 GLU HA H 10 3.960 4.083 -0.123 2
1 47 . 1 1 A 10 10 GLU C C 10 175.849 178.652 -2.803 2
1 48 . 1 1 A 10 10 GLU CA C 10 58.051 58.697 -0.646 2
1 49 . 1 1 A 10 10 GLU CB C 10 29.627 30.054 -0.427 2
1 51 . 1 1 A 10 10 GLU N N 10 120.707 120.796 -0.089 2
1 52 . 1 1 A 11 11 TRP H H 11 7.131 8.218 -1.087 2
1 53 . 1 1 A 11 11 TRP HA H 11 4.548 4.474 0.073 2
1 62 . 1 1 A 11 11 TRP C C 11 176.362 176.812 -0.450 2
1 63 . 1 1 A 11 11 TRP CA C 11 55.758 60.006 -4.248 2
1 64 . 1 1 A 11 11 TRP CB C 11 29.285 28.143 1.142 2
1 70 . 1 1 A 11 11 TRP N N 11 115.904 119.141 -3.237 2
1 72 . 1 1 A 12 12 MET H H 12 7.289 6.845 0.444 2
1 73 . 1 1 A 12 12 MET HA H 12 4.054 3.862 0.192 2
1 81 . 1 1 A 12 12 MET C C 12 174.357 175.794 -1.437 2
1 82 . 1 1 A 12 12 MET CA C 12 55.900 54.614 1.286 2
1 83 . 1 1 A 12 12 MET CB C 12 31.808 31.903 -0.095 2
1 86 . 1 1 A 12 12 MET N N 12 122.155 120.848 1.307 2
1 87 . 1 1 A 13 13 MET H H 13 8.569 9.023 -0.454 2
1 88 . 1 1 A 13 13 MET HA H 13 4.890 5.235 -0.345 2
1 96 . 1 1 A 13 13 MET C C 13 175.898 174.634 1.264 2
1 97 . 1 1 A 13 13 MET CA C 13 53.784 53.900 -0.116 2
1 98 . 1 1 A 13 13 MET CB C 13 35.100 36.787 -1.687 2
1 101 . 1 1 A 13 13 MET N N 13 121.084 122.136 -1.052 2
1 102 . 1 1 A 14 14 ILE H H 14 9.144 8.649 0.495 2
1 103 . 1 1 A 14 14 ILE HA H 14 2.912 4.315 -1.403 2
1 113 . 1 1 A 14 14 ILE C C 14 174.810 176.041 -1.231 2
1 114 . 1 1 A 14 14 ILE CA C 14 63.803 60.323 3.480 2
1 115 . 1 1 A 14 14 ILE CB C 14 38.974 38.248 0.726 2
1 119 . 1 1 A 14 14 ILE N N 14 125.919 121.226 4.693 2
1 120 . 1 1 A 15 15 HIS H H 15 8.926 8.565 0.361 2
1 121 . 1 1 A 15 15 HIS HA H 15 4.690 4.243 0.447 2
1 125 . 1 1 A 15 15 HIS C C 15 174.715 174.913 -0.198 2
1 126 . 1 1 A 15 15 HIS CA C 15 55.829 59.935 -4.106 2
1 127 . 1 1 A 15 15 HIS CB C 15 33.853 30.522 3.331 2
1 129 . 1 1 A 15 15 HIS N N 15 125.470 128.363 -2.893 2
1 130 . 1 1 A 16 16 ARG H H 16 7.529 7.611 -0.082 2
1 131 . 1 1 A 16 16 ARG HA H 16 4.193 4.887 -0.694 2
1 138 . 1 1 A 16 16 ARG C C 16 173.315 174.562 -1.247 2
1 139 . 1 1 A 16 16 ARG CA C 16 55.329 55.404 -0.075 2
1 140 . 1 1 A 16 16 ARG CB C 16 33.252 32.818 0.434 2
1 143 . 1 1 A 16 16 ARG N N 16 111.315 113.972 -2.657 2
1 144 . 1 1 A 17 17 ILE H H 17 8.396 8.946 -0.550 2
1 145 . 1 1 A 17 17 ILE HA H 17 4.052 3.944 0.108 2
1 155 . 1 1 A 17 17 ILE C C 17 175.341 175.332 0.010 2
1 156 . 1 1 A 17 17 ILE CA C 17 61.859 61.631 0.228 2
1 157 . 1 1 A 17 17 ILE CB C 17 37.952 36.727 1.225 2
1 161 . 1 1 A 17 17 ILE N N 17 121.157 123.850 -2.693 2
1 162 . 1 1 A 18 18 LEU H H 18 9.102 8.470 0.632 2
1 163 . 1 1 A 18 18 LEU HA H 18 4.253 3.987 0.266 2
1 173 . 1 1 A 18 18 LEU C C 18 176.622 176.414 0.208 2
1 174 . 1 1 A 18 18 LEU CA C 18 55.422 57.013 -1.591 2
1 175 . 1 1 A 18 18 LEU CB C 18 43.410 42.033 1.377 2
1 179 . 1 1 A 18 18 LEU N N 18 124.326 129.825 -5.499 2
1 180 . 1 1 A 19 19 ASN H H 19 7.343 7.389 -0.046 2
1 181 . 1 1 A 19 19 ASN HA H 19 5.227 4.994 0.233 2
1 186 . 1 1 A 19 19 ASN C C 19 172.527 173.270 -0.743 2
1 187 . 1 1 A 19 19 ASN CA C 19 51.140 52.312 -1.172 2
1 188 . 1 1 A 19 19 ASN CB C 19 40.795 41.678 -0.883 2
1 189 . 1 1 A 19 19 ASN N N 19 113.895 111.957 1.938 2
1 191 . 1 1 A 20 20 HIS H H 20 8.816 8.883 -0.067 2
1 192 . 1 1 A 20 20 HIS HA H 20 5.875 6.093 -0.218 2
1 197 . 1 1 A 20 20 HIS C C 20 173.013 172.706 0.307 2
1 198 . 1 1 A 20 20 HIS CA C 20 55.932 54.297 1.635 2
1 199 . 1 1 A 20 20 HIS CB C 20 35.190 33.635 1.555 2
1 202 . 1 1 A 20 20 HIS N N 20 118.537 116.724 1.813 2
1 203 . 1 1 A 21 21 SER H H 21 9.203 8.980 0.223 2
1 204 . 1 1 A 21 21 SER HA H 21 4.399 4.750 -0.351 2
1 207 . 1 1 A 21 21 SER C C 21 172.382 172.441 -0.059 2
1 208 . 1 1 A 21 21 SER CA C 21 57.063 56.715 0.348 2
1 209 . 1 1 A 21 21 SER CB C 21 65.417 65.589 -0.172 2
1 210 . 1 1 A 21 21 SER N N 21 115.006 114.497 0.509 2
1 211 . 1 1 A 22 22 VAL H H 22 8.493 8.882 -0.389 2
1 212 . 1 1 A 22 22 VAL HA H 22 4.961 4.564 0.397 2
1 220 . 1 1 A 22 22 VAL C C 22 176.199 175.027 1.172 2
1 221 . 1 1 A 22 22 VAL CA C 22 61.066 60.900 0.166 2
1 222 . 1 1 A 22 22 VAL CB C 22 33.732 33.306 0.427 2
1 225 . 1 1 A 22 22 VAL N N 22 124.080 126.726 -2.646 2
1 226 . 1 1 A 23 23 ASP H H 23 8.667 8.116 0.551 2
1 227 . 1 1 A 23 23 ASP HA H 23 4.688 4.505 0.183 2
1 230 . 1 1 A 23 23 ASP C C 23 178.629 177.100 1.529 2
1 231 . 1 1 A 23 23 ASP CA C 23 52.814 53.532 -0.718 2
1 232 . 1 1 A 23 23 ASP CB C 23 41.525 41.864 -0.339 2
1 233 . 1 1 A 23 23 ASP N N 23 127.673 128.144 -0.471 2
1 234 . 1 1 A 24 24 LYS H H 24 8.242 8.814 -0.572 2
1 235 . 1 1 A 24 24 LYS HA H 24 4.077 3.880 0.197 2
1 244 . 1 1 A 24 24 LYS C C 24 177.637 178.362 -0.725 2
1 245 . 1 1 A 24 24 LYS CA C 24 58.419 59.894 -1.475 2
1 246 . 1 1 A 24 24 LYS CB C 24 32.057 32.104 -0.047 2
1 250 . 1 1 A 24 24 LYS N N 24 116.378 123.646 -7.268 2
1 251 . 1 1 A 25 25 LYS H H 25 8.128 7.585 0.543 2
1 252 . 1 1 A 25 25 LYS HA H 25 4.379 4.072 0.307 2
1 261 . 1 1 A 25 25 LYS C C 25 176.600 176.577 0.023 2
1 262 . 1 1 A 25 25 LYS CA C 25 55.411 57.423 -2.012 2
1 263 . 1 1 A 25 25 LYS CB C 25 32.516 32.784 -0.268 2
1 267 . 1 1 A 25 25 LYS N N 25 118.184 117.307 0.877 2
1 268 . 1 1 A 26 26 GLY H H 26 8.040 7.894 0.146 2
1 269 . 1 1 A 26 26 GLY HA2 H 26 4.125 4.029 0.096 2
1 270 . 1 1 A 26 26 GLY HA3 H 26 3.428 4.063 -0.635 2
1 271 . 1 1 A 26 26 GLY C C 26 174.048 174.694 -0.646 2
1 272 . 1 1 A 26 26 GLY CA C 26 45.235 45.242 -0.007 2
1 273 . 1 1 A 26 26 GLY N N 26 108.208 105.974 2.234 2
1 274 . 1 1 A 27 27 HIS H H 27 8.599 7.982 0.617 2
1 275 . 1 1 A 27 27 HIS HA H 27 4.491 4.471 0.020 2
1 279 . 1 1 A 27 27 HIS C C 27 174.516 174.472 0.044 2
1 280 . 1 1 A 27 27 HIS CA C 27 55.935 56.898 -0.963 2
1 281 . 1 1 A 27 27 HIS CB C 27 29.257 29.753 -0.496 2
1 283 . 1 1 A 27 27 HIS N N 27 123.031 118.916 4.115 2
1 284 . 1 1 A 28 28 VAL H H 28 8.330 8.478 -0.148 2
1 285 . 1 1 A 28 28 VAL HA H 28 4.776 3.991 0.785 2
1 293 . 1 1 A 28 28 VAL C C 28 174.798 175.631 -0.833 2
1 294 . 1 1 A 28 28 VAL CA C 28 62.070 63.342 -1.272 2
1 295 . 1 1 A 28 28 VAL CB C 28 32.965 31.969 0.996 2
1 298 . 1 1 A 28 28 VAL N N 28 127.641 124.901 2.740 2
1 299 . 1 1 A 29 29 HIS H H 29 8.887 9.347 -0.460 2
1 300 . 1 1 A 29 29 HIS HA H 29 5.071 5.375 -0.304 2
1 305 . 1 1 A 29 29 HIS C C 29 173.998 174.080 -0.082 2
1 306 . 1 1 A 29 29 HIS CA C 29 54.841 53.955 0.887 2
1 307 . 1 1 A 29 29 HIS CB C 29 33.921 32.841 1.080 2
1 310 . 1 1 A 29 29 HIS N N 29 124.946 126.274 -1.328 2
1 311 . 1 1 A 30 30 TYR H H 30 9.630 9.425 0.205 2
1 312 . 1 1 A 30 30 TYR HA H 30 5.092 5.140 -0.048 2
1 319 . 1 1 A 30 30 TYR C C 30 173.451 174.660 -1.209 2
1 320 . 1 1 A 30 30 TYR CA C 30 57.627 56.498 1.129 2
1 321 . 1 1 A 30 30 TYR CB C 30 41.124 40.877 0.247 2
1 326 . 1 1 A 30 30 TYR N N 30 119.246 121.013 -1.767 2
1 327 . 1 1 A 31 31 LEU H H 31 7.804 8.710 -0.906 2
1 328 . 1 1 A 31 31 LEU HA H 31 3.561 3.457 0.104 2
1 338 . 1 1 A 31 31 LEU C C 31 173.742 174.486 -0.744 2
1 339 . 1 1 A 31 31 LEU CA C 31 53.120 54.086 -0.966 2
1 340 . 1 1 A 31 31 LEU CB C 31 39.479 40.797 -1.318 2
1 344 . 1 1 A 31 31 LEU N N 31 125.982 126.298 -0.316 2
1 345 . 1 1 A 32 32 ILE H H 32 8.861 8.065 0.796 2
1 346 . 1 1 A 32 32 ILE HA H 32 3.402 3.920 -0.518 2
1 356 . 1 1 A 32 32 ILE C C 32 173.769 174.431 -0.662 2
1 357 . 1 1 A 32 32 ILE CA C 32 61.356 61.020 0.336 2
1 358 . 1 1 A 32 32 ILE CB C 32 39.405 37.308 2.097 2
1 362 . 1 1 A 32 32 ILE N N 32 129.827 127.311 2.516 2
1 363 . 1 1 A 33 33 LYS H H 33 7.951 8.510 -0.559 2
1 364 . 1 1 A 33 33 LYS HA H 33 4.111 4.454 -0.343 2
1 373 . 1 1 A 33 33 LYS C C 33 174.920 175.033 -0.113 2
1 374 . 1 1 A 33 33 LYS CA C 33 54.849 54.518 0.331 2
1 375 . 1 1 A 33 33 LYS CB C 33 33.162 33.372 -0.210 2
1 379 . 1 1 A 33 33 LYS N N 33 124.612 127.213 -2.601 2
1 380 . 1 1 A 34 34 TRP H H 34 8.145 8.260 -0.115 2
1 381 . 1 1 A 34 34 TRP HA H 34 4.690 4.535 0.155 2
1 390 . 1 1 A 34 34 TRP C C 34 177.144 177.142 0.002 2
1 391 . 1 1 A 34 34 TRP CA C 34 55.582 58.457 -2.875 2
1 392 . 1 1 A 34 34 TRP CB C 34 30.832 29.445 1.387 2
1 398 . 1 1 A 34 34 TRP N N 34 132.766 127.651 5.115 2
1 400 . 1 1 A 35 35 ARG H H 35 9.199 8.590 0.609 2
1 401 . 1 1 A 35 35 ARG HA H 35 3.742 4.202 -0.460 2
1 408 . 1 1 A 35 35 ARG C C 35 176.307 178.054 -1.747 2
1 409 . 1 1 A 35 35 ARG CA C 35 58.738 60.288 -1.550 2
1 410 . 1 1 A 35 35 ARG CB C 35 30.254 30.170 0.084 2
1 413 . 1 1 A 35 35 ARG N N 35 124.433 126.331 -1.898 2
1 414 . 1 1 A 36 36 ASP H H 36 8.812 8.445 0.367 2
1 415 . 1 1 A 36 36 ASP HA H 36 4.294 4.481 -0.187 2
1 418 . 1 1 A 36 36 ASP C C 36 174.269 176.810 -2.541 2
1 419 . 1 1 A 36 36 ASP CA C 36 55.948 57.547 -1.599 2
1 420 . 1 1 A 36 36 ASP CB C 36 39.960 41.357 -1.397 2
1 421 . 1 1 A 36 36 ASP N N 36 115.622 119.483 -3.861 2
1 422 . 1 1 A 37 37 LEU H H 37 7.372 7.875 -0.503 2
1 423 . 1 1 A 37 37 LEU HA H 37 4.966 4.528 0.438 2
1 433 . 1 1 A 37 37 LEU C C 37 174.638 174.874 -0.236 2
1 434 . 1 1 A 37 37 LEU CA C 37 51.968 53.417 -1.449 2
1 435 . 1 1 A 37 37 LEU CB C 37 44.421 41.299 3.122 2
1 439 . 1 1 A 37 37 LEU N N 37 119.137 120.506 -1.369 2
1 440 . 1 1 A 38 38 PRO HA H 38 4.559 4.623 -0.064 2
1 447 . 1 1 A 38 38 PRO C C 38 178.256 176.424 1.832 2
1 448 . 1 1 A 38 38 PRO CA C 38 62.332 62.396 -0.064 2
1 449 . 1 1 A 38 38 PRO CB C 38 33.232 33.367 -0.135 2
1 452 . 1 1 A 39 39 TYR H H 39 8.933 8.892 0.041 2
1 453 . 1 1 A 39 39 TYR HA H 39 3.758 4.103 -0.345 2
1 460 . 1 1 A 39 39 TYR C C 39 177.241 177.533 -0.292 2
1 461 . 1 1 A 39 39 TYR CA C 39 62.934 61.211 1.723 2
1 462 . 1 1 A 39 39 TYR CB C 39 38.451 38.771 -0.320 2
1 467 . 1 1 A 39 39 TYR N N 39 122.113 121.527 0.586 2
1 468 . 1 1 A 40 40 ASP H H 40 8.439 8.459 -0.020 2
1 469 . 1 1 A 40 40 ASP HA H 40 4.407 4.435 -0.028 2
1 472 . 1 1 A 40 40 ASP C C 40 176.645 177.151 -0.506 2
1 473 . 1 1 A 40 40 ASP CA C 40 55.335 56.123 -0.788 2
1 474 . 1 1 A 40 40 ASP CB C 40 39.476 40.304 -0.828 2
1 475 . 1 1 A 40 40 ASP N N 40 115.019 119.204 -4.185 2
1 476 . 1 1 A 41 41 GLN H H 41 7.761 7.671 0.090 2
1 477 . 1 1 A 41 41 GLN HA H 41 4.457 4.438 0.019 2
1 484 . 1 1 A 41 41 GLN C C 41 175.665 175.906 -0.241 2
1 485 . 1 1 A 41 41 GLN CA C 41 55.031 55.558 -0.527 2
1 486 . 1 1 A 41 41 GLN CB C 41 29.606 29.965 -0.359 2
1 488 . 1 1 A 41 41 GLN N N 41 117.630 116.910 0.720 2
1 490 . 1 1 A 42 42 ALA H H 42 7.379 7.190 0.189 2
1 491 . 1 1 A 42 42 ALA HA H 42 4.776 4.113 0.663 2
1 495 . 1 1 A 42 42 ALA C C 42 177.103 176.825 0.278 2
1 496 . 1 1 A 42 42 ALA CA C 42 53.572 52.849 0.723 2
1 497 . 1 1 A 42 42 ALA CB C 42 18.951 18.961 -0.010 2
1 498 . 1 1 A 42 42 ALA N N 42 123.425 123.820 -0.395 2
1 499 . 1 1 A 43 43 SER H H 43 8.521 7.988 0.533 2
1 500 . 1 1 A 43 43 SER HA H 43 4.861 5.096 -0.235 2
1 503 . 1 1 A 43 43 SER C C 43 172.947 172.964 -0.017 2
1 504 . 1 1 A 43 43 SER CA C 43 56.852 56.666 0.186 2
1 505 . 1 1 A 43 43 SER CB C 43 66.734 66.213 0.521 2
1 506 . 1 1 A 43 43 SER N N 43 115.967 115.054 0.913 2
1 507 . 1 1 A 44 44 TRP H H 44 8.699 8.901 -0.202 2
1 508 . 1 1 A 44 44 TRP HA H 44 5.081 4.948 0.133 2
1 517 . 1 1 A 44 44 TRP C C 44 177.207 176.357 0.850 2
1 518 . 1 1 A 44 44 TRP CA C 44 56.648 57.142 -0.494 2
1 519 . 1 1 A 44 44 TRP CB C 44 29.592 30.681 -1.089 2
1 525 . 1 1 A 44 44 TRP N N 44 123.015 124.769 -1.754 2
1 527 . 1 1 A 45 45 GLU H H 45 9.773 8.832 0.941 2
1 528 . 1 1 A 45 45 GLU HA H 45 5.156 4.885 0.271 2
1 533 . 1 1 A 45 45 GLU C C 45 176.249 175.759 0.490 2
1 534 . 1 1 A 45 45 GLU CA C 45 53.378 54.713 -1.335 2
1 535 . 1 1 A 45 45 GLU CB C 45 31.950 32.688 -0.738 2
1 537 . 1 1 A 45 45 GLU N N 45 122.799 122.746 0.053 2
1 538 . 1 1 A 46 46 SER H H 46 9.121 8.632 0.489 2
1 539 . 1 1 A 46 46 SER HA H 46 4.106 4.458 -0.352 2
1 542 . 1 1 A 46 46 SER C C 46 178.218 176.025 2.193 2
1 543 . 1 1 A 46 46 SER CA C 46 58.791 58.268 0.523 2
1 544 . 1 1 A 46 46 SER CB C 46 63.100 64.165 -1.065 2
1 545 . 1 1 A 46 46 SER N N 46 116.892 120.341 -3.449 2
1 546 . 1 1 A 47 47 GLU H H 47 8.588 8.863 -0.275 2
1 547 . 1 1 A 47 47 GLU HA H 47 4.327 4.742 -0.415 2
1 552 . 1 1 A 47 47 GLU C C 47 174.707 176.984 -2.277 2
1 553 . 1 1 A 47 47 GLU CA C 47 58.693 57.331 1.362 2
1 554 . 1 1 A 47 47 GLU CB C 47 29.990 29.213 0.777 2
1 556 . 1 1 A 47 47 GLU N N 47 125.534 122.667 2.867 2
1 557 . 1 1 A 48 48 ASP H H 48 8.415 8.187 0.228 2
1 558 . 1 1 A 48 48 ASP HA H 48 4.847 4.882 -0.035 2
1 561 . 1 1 A 48 48 ASP C C 48 176.853 176.055 0.798 2
1 562 . 1 1 A 48 48 ASP CA C 48 54.472 55.232 -0.760 2
1 563 . 1 1 A 48 48 ASP CB C 48 41.795 42.140 -0.345 2
1 564 . 1 1 A 48 48 ASP N N 48 117.812 119.821 -2.009 2
1 565 . 1 1 A 49 49 VAL H H 49 7.192 7.506 -0.314 2
1 566 . 1 1 A 49 49 VAL HA H 49 4.137 4.075 0.062 2
1 574 . 1 1 A 49 49 VAL C C 49 175.326 175.662 -0.336 2
1 575 . 1 1 A 49 49 VAL CA C 49 62.987 62.223 0.764 2
1 576 . 1 1 A 49 49 VAL CB C 49 32.759 32.352 0.407 2
1 579 . 1 1 A 49 49 VAL N N 49 118.329 116.851 1.478 2
1 580 . 1 1 A 50 50 GLU H H 50 8.417 8.674 -0.257 2
1 581 . 1 1 A 50 50 GLU HA H 50 4.526 4.920 -0.394 2
1 586 . 1 1 A 50 50 GLU C C 50 175.395 175.791 -0.396 2
1 587 . 1 1 A 50 50 GLU CA C 50 56.376 55.463 0.913 2
1 588 . 1 1 A 50 50 GLU CB C 50 29.216 30.710 -1.494 2
1 590 . 1 1 A 50 50 GLU N N 50 124.475 123.395 1.080 2
1 591 . 1 1 A 51 51 ILE H H 51 7.483 8.599 -1.116 2
1 592 . 1 1 A 51 51 ILE HA H 51 4.068 4.641 -0.573 2
1 602 . 1 1 A 51 51 ILE C C 51 175.838 175.007 0.830 2
1 603 . 1 1 A 51 51 ILE CA C 51 60.572 59.414 1.158 2
1 604 . 1 1 A 51 51 ILE CB C 51 41.701 41.385 0.316 2
1 608 . 1 1 A 51 51 ILE N N 51 125.565 125.659 -0.094 2
1 609 . 1 1 A 52 52 GLN H H 52 9.055 8.489 0.566 2
1 610 . 1 1 A 52 52 GLN HA H 52 4.042 3.904 0.138 2
1 617 . 1 1 A 52 52 GLN C C 52 176.011 176.294 -0.283 2
1 618 . 1 1 A 52 52 GLN CA C 52 58.264 57.503 0.761 2
1 619 . 1 1 A 52 52 GLN CB C 52 28.458 28.425 0.033 2
1 621 . 1 1 A 52 52 GLN N N 52 130.354 124.919 5.435 2
1 623 . 1 1 A 53 53 ASP H H 53 9.244 9.416 -0.172 2
1 624 . 1 1 A 53 53 ASP HA H 53 4.529 4.358 0.171 2
1 627 . 1 1 A 53 53 ASP C C 53 176.419 175.821 0.598 2
1 628 . 1 1 A 53 53 ASP CA C 53 56.605 55.420 1.185 2
1 629 . 1 1 A 53 53 ASP CB C 53 39.788 39.057 0.731 2
1 630 . 1 1 A 53 53 ASP N N 53 119.289 122.776 -3.487 2
1 631 . 1 1 A 54 54 TYR H H 54 7.920 8.318 -0.398 2
1 632 . 1 1 A 54 54 TYR HA H 54 4.388 4.327 0.062 2
1 639 . 1 1 A 54 54 TYR C C 54 178.807 177.406 1.401 2
1 640 . 1 1 A 54 54 TYR CA C 54 57.557 61.184 -3.627 2
1 641 . 1 1 A 54 54 TYR CB C 54 37.745 38.808 -1.063 2
1 646 . 1 1 A 54 54 TYR N N 54 120.852 119.534 1.318 2
1 647 . 1 1 A 55 55 ASP H H 55 8.942 8.203 0.739 2
1 648 . 1 1 A 55 55 ASP HA H 55 4.155 4.169 -0.014 2
1 651 . 1 1 A 55 55 ASP C C 55 178.492 178.902 -0.410 2
1 652 . 1 1 A 55 55 ASP CA C 55 57.839 57.337 0.502 2
1 653 . 1 1 A 55 55 ASP CB C 55 39.955 40.550 -0.595 2
1 654 . 1 1 A 55 55 ASP N N 55 114.884 119.955 -5.071 2
1 655 . 1 1 A 56 56 LEU H H 56 7.585 8.313 -0.728 2
1 656 . 1 1 A 56 56 LEU HA H 56 3.968 3.923 0.045 2
1 666 . 1 1 A 56 56 LEU C C 56 180.237 179.216 1.021 2
1 667 . 1 1 A 56 56 LEU CA C 56 57.892 58.198 -0.306 2
1 668 . 1 1 A 56 56 LEU CB C 56 41.204 42.127 -0.923 2
1 672 . 1 1 A 56 56 LEU N N 56 121.328 120.376 0.952 2
1 673 . 1 1 A 57 57 PHE H H 57 7.735 8.184 -0.449 2
1 674 . 1 1 A 57 57 PHE HA H 57 4.182 4.190 -0.008 2
1 682 . 1 1 A 57 57 PHE C C 57 179.437 178.193 1.244 2
1 683 . 1 1 A 57 57 PHE CA C 57 62.756 61.083 1.673 2
1 684 . 1 1 A 57 57 PHE CB C 57 38.803 38.927 -0.124 2
1 690 . 1 1 A 57 57 PHE N N 57 118.200 117.450 0.750 2
1 691 . 1 1 A 58 58 LYS H H 58 8.834 7.855 0.979 2
1 692 . 1 1 A 58 58 LYS HA H 58 3.515 3.572 -0.057 2
1 701 . 1 1 A 58 58 LYS C C 58 177.565 179.055 -1.490 2
1 702 . 1 1 A 58 58 LYS CA C 58 60.851 59.561 1.290 2
1 703 . 1 1 A 58 58 LYS CB C 58 33.102 31.882 1.220 2
1 707 . 1 1 A 58 58 LYS N N 58 123.283 117.930 5.354 2
1 708 . 1 1 A 59 59 GLN H H 59 7.955 8.179 -0.224 2
1 709 . 1 1 A 59 59 GLN HA H 59 4.104 4.199 -0.095 2
1 716 . 1 1 A 59 59 GLN C C 59 178.948 178.264 0.684 2
1 717 . 1 1 A 59 59 GLN CA C 59 59.249 58.767 0.482 2
1 718 . 1 1 A 59 59 GLN CB C 59 28.185 28.632 -0.447 2
1 720 . 1 1 A 59 59 GLN N N 59 117.353 119.956 -2.603 2
1 722 . 1 1 A 60 60 SER H H 60 7.821 7.952 -0.131 2
1 723 . 1 1 A 60 60 SER HA H 60 4.233 4.162 0.072 2
1 726 . 1 1 A 60 60 SER C C 60 176.403 176.071 0.332 2
1 727 . 1 1 A 60 60 SER CA C 60 60.954 61.776 -0.822 2
1 728 . 1 1 A 60 60 SER CB C 60 63.007 63.254 -0.247 2
1 729 . 1 1 A 60 60 SER N N 60 112.660 115.177 -2.517 2
1 730 . 1 1 A 61 61 TYR H H 61 7.858 8.392 -0.534 2
1 731 . 1 1 A 61 61 TYR HA H 61 4.084 4.059 0.025 2
1 734 . 1 1 A 61 61 TYR C C 61 177.358 177.447 -0.089 2
1 735 . 1 1 A 61 61 TYR CA C 61 61.217 62.003 -0.786 2
1 736 . 1 1 A 61 61 TYR CB C 61 38.470 38.417 0.053 2
1 739 . 1 1 A 61 61 TYR N N 61 122.550 121.809 0.741 2
1 740 . 1 1 A 62 62 TRP H H 62 7.754 7.601 0.153 2
1 741 . 1 1 A 62 62 TRP HA H 62 4.273 4.194 0.079 2
1 750 . 1 1 A 62 62 TRP C C 62 176.694 178.950 -2.256 2
1 751 . 1 1 A 62 62 TRP CA C 62 58.061 60.500 -2.439 2
1 752 . 1 1 A 62 62 TRP CB C 62 30.047 29.319 0.728 2
1 758 . 1 1 A 62 62 TRP N N 62 116.320 119.670 -3.350 2
1 760 . 1 1 A 63 63 ASN H H 63 7.800 8.334 -0.534 2
1 761 . 1 1 A 63 63 ASN HA H 63 4.688 4.408 0.280 2
1 766 . 1 1 A 63 63 ASN C C 63 174.055 177.255 -3.200 2
1 767 . 1 1 A 63 63 ASN CA C 63 53.484 56.376 -2.892 2
1 768 . 1 1 A 63 63 ASN CB C 63 38.645 38.137 0.508 2
1 769 . 1 1 A 63 63 ASN N N 63 117.543 117.572 -0.029 2
stop_
save_